smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)c(OC)c1 6641278 UIXJSDNRCFIWPM-ZRDIBKRKSA-N 318.372 4.753 30 20 DJED COc1ccc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)cc1F 18063189 DWYVPSLSYJSQIV-FNORWQNLSA-N 324.273 4.749 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2c(Cl)cccc2Cl)cc1 33604513 PKWCESCPGGHSCS-HJWRWDBZSA-N 302.160 4.761 30 20 DJED N#Cc1ccc(NCc2ccc(C(F)(F)F)cc2)c(Cl)c1 62791213 LSEQELICMVJGOV-UHFFFAOYSA-N 310.706 4.843 30 20 DJED CCCN(CCC)C(=O)Nc1ccccc1SC[C@H](C)C#N 108533325 NNDLOZBBEUZIHM-CQSZACIVSA-N 319.474 4.592 30 20 DJED Cc1ccc(Cl)c(NC(=O)c2cccc(SCC#N)c2)c1 124882449 SEGVSQBYDSYKHK-UHFFFAOYSA-N 316.813 4.516 30 20 DJED O=C(/C=C\c1cccnc1Cl)c1cccc(C(F)(F)F)c1 255072054 JQUGWAWMTJTGSM-SREVYHEPSA-N 311.690 4.650 30 20 DJED CC[C@H](N[C@@H](C)c1cc(F)ccc1OC)c1ccc(C#N)cc1 278271309 PCEJSJHXYMYRNV-UGSOOPFHSA-N 312.388 4.508 30 20 DJED CC[C@H](N[C@@H]1CCCOc2ccccc21)c1ccc(C#N)cc1 278902168 ZJQWJAQKMSVTEG-RBUKOAKNSA-N 306.409 4.513 30 20 DJED Cc1cccc([C@@H](Nc2ccc(C#N)cc2F)c2ccccn2)c1 301905276 YMVLXRBRUAGFJF-HXUWFJFHSA-N 317.367 4.602 30 20 DJED N=C(O)C[C@@H](/N=C(/O)[C@@H]1CC12CCCC2)c1cccc(Cl)c1 329783179 UXFNLGWOPOPWCT-UONOGXRCSA-N 320.820 4.843 30 20 DJED CC[C@H]1C[C@H](C(O)=Nc2onc(C3CCCCC3)c2C)CCO1 330126405 ISAYQYMGOJODAZ-CABCVRRESA-N 320.433 4.824 30 20 DJED Cc1cccn2cc(CS[C@@H](C)c3cccc(C#N)c3)nc12 443135834 QKGRIQJZORQEJW-AWEZNQCLSA-N 307.422 4.509 30 20 DJED Cc1cc(C#N)cc(C)c1OCc1nc(-c2ccccc2)oc1C 462622508 JWUMSPKVRJPBPT-UHFFFAOYSA-N 318.376 4.718 30 20 DJED C[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)c1c(Cl)cccc1Cl 463303228 QMDMAARNVKSYPN-JHJVBQTASA-N 311.256 4.769 30 20 DJED C=CCCCC(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 479517623 PQXDRFDVAMLVRI-NSHDSACASA-N 300.229 4.869 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1cccc(C)c1C 484983723 AETQPIQWXQCZSV-UHFFFAOYSA-N 300.446 4.904 30 20 DJED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N(C)c1ccccc1C#N 489727027 UXXDOJXMIASJDW-WBVHZDCISA-N 318.420 4.511 30 20 DJED C[C@H](SCc1ccc(C#N)cc1F)c1ccc(F)c(F)c1 498131108 FQHGHKBJIHWYOX-JTQLQIEISA-N 307.340 4.970 30 20 DJED C[C@@H]1C[C@]1(NCCCCC(C)(C)C#N)c1ccc(Cl)cc1 503412478 VCPLWZWTPIMYCE-RDTXWAMCSA-N 304.865 4.885 30 20 DJED CC[C@@H](CC(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 504424979 VSGAHNCAQAEWGO-ZDUSSCGKSA-N 324.449 4.631 30 20 DJED C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2ccc(C#N)cc2)C1 513515742 QGJSUQIDIGUAPC-KXBFYZLASA-N 319.408 4.563 30 20 DJED COCCCCCOc1ccc(Oc2ccc(C#N)cc2)cc1 513831627 VHFIHZSLNQTLFB-UHFFFAOYSA-N 311.381 4.546 30 20 DJED CC1(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCCC1 520631565 NJMQGXKYRZMHLX-UHFFFAOYSA-N 320.392 4.869 30 20 DJED C=CCCCS[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 522758428 XWTIUWCLSLFGRY-QWHCGFSZSA-N 311.878 4.605 30 20 DJED CC(C)c1ccc([C@H](C)CC(=O)Nc2ccccc2C#N)cc1 524249383 DJRBMLBUIWOOKV-OAHLLOKOSA-N 306.409 4.814 30 20 DJED CCn1c(-c2cnc(C3CCCC3)s2)nc2cc(C#N)ccc21 534628559 GCDZFTKHPKSPBL-UHFFFAOYSA-N 322.437 4.709 30 20 DJED C=CCC(C)(C)c1noc(-c2cc(C)n(C3CCCCC3)n2)n1 551469693 FZVLCRHFDNXHLK-UHFFFAOYSA-N 314.433 4.600 30 20 DJED C=C[C@H](CC(=O)NC[C@@H]1CCCCC(F)(F)C1)c1ccccc1 552653816 CZTFMDPERLXNNI-HZPDHXFCSA-N 321.411 4.678 30 20 DJED C=CCC(C)(C)c1noc([C@H](C)c2cn(C)c3ccccc23)n1 560008693 XXQFBPACDSYVBQ-CYBMUJFWSA-N 309.413 4.567 30 20 DJED N#Cc1c(F)ccc(CNc2cncc3ccccc23)c1Cl 562363724 RBIXKQOBTRKDFR-UHFFFAOYSA-N 311.747 4.511 30 20 DJED N#CC[C@@H]1CCCN(C(=O)CC2CCC(c3ccccc3)CC2)C1 597913376 OCHFLEUJOMIKEB-FDYSRKEFSA-N 324.468 4.503 30 20 DJED N#C[C@H]1CC[C@@H](N[C@@H](c2ccc3ccccc3c2)C(F)(F)F)C1 599051605 JHCURYRXXMBUFC-VUCTXSBTSA-N 318.342 4.725 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1ccc(S[C@H](C)CC)cc1C 604906610 OOTOWTRXZILRSQ-ZIAGYGMSSA-N 306.475 4.972 30 20 DJED Cc1ccc2[nH]c3c(c2c1)CN(CCCCC(C)(C)C#N)CC3 618286838 OJDVCBRMGUOWJE-UHFFFAOYSA-N 309.457 4.555 30 20 DJED C=C[C@H](CC(=O)N1CC[C@H](c2ccccc2)[C@H]1C)c1ccccc1 677562607 GFJBEXHPBSBHRX-OPYAIIAOSA-N 319.448 4.751 30 20 DJED O=C(/C=C\c1ccc(O)cc1)c1ccc(SC(F)F)cc1 734980176 ICUZWDMHOPDPKZ-KMKOMSMNSA-N 306.333 4.603 30 20 DJED CC(C)(C)c1ncc(/C=C2\CSc3ccccc3C2=O)s1 736433481 VSCNNTOXNSZCQP-DHZHZOJOSA-N 315.463 4.813 30 20 DJED CCCCCC[C@H](C)CC(=O)N[C@@H](C)c1cccc(C#N)c1 743776190 WIRLRTYBQFJHHM-HOTGVXAUSA-N 300.446 4.732 30 20 DJED CCCCCCCC(=O)N(C)Cc1ccc(SC)c(OC)c1 746818054 ZPXQPNWWZBTVIB-UHFFFAOYSA-N 323.502 4.736 30 20 DJED N#Cc1csc(C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 752290817 YLBSXYAOKVYUKE-UHFFFAOYSA-N 318.357 4.771 30 20 DJED C=C[C@H](CC(=O)Oc1cccc2ncccc12)c1ccccc1 759808528 DYRCZSIIEKDYRK-OAHLLOKOSA-N 303.361 4.500 30 20 DJED O=C(/C=C\c1ccc(C(F)(F)F)s1)c1ccc(F)cc1 761473365 DEYBLKAAPHONJZ-ALCCZGGFSA-N 300.276 4.802 30 20 DJED CCSc1cccc(/C=C/C(=O)c2ccc(Cl)nc2)c1 769746366 GZWWPIUXEAKDTD-SOFGYWHQSA-N 303.814 4.743 30 20 DJED COc1cc(Cl)ccc1N[C@@H](C)c1ccc(C#N)c(F)c1 775579119 LLPAAQAHZBZRAQ-JTQLQIEISA-N 304.752 4.532 30 20 DJED CCSCCC=NNc1nc(Cl)c(Cl)cc1Cl 781117751 GKHMTOXNXYKTHT-UHFFFAOYSA-N 312.653 4.583 30 20 DJED C[C@@H](OC(=O)c1c(Cl)cccc1Cl)c1cccc(C#N)c1 782022032 OWDAPVSFSCXOKN-SNVBAGLBSA-N 320.175 4.783 30 20 DJED C[C@H](NCc1ccc(C#N)cn1)c1ccc(-c2cccs2)cc1 783293466 IPMVTHIMMKANBO-AWEZNQCLSA-N 319.433 4.533 30 20 DJED CC(=NNc1cccc(Cl)n1)c1ccc(-c2ccncc2)cc1 793163215 HKLRSLNPGUDWKX-UHFFFAOYSA-N 322.799 4.633 30 20 DJED COc1cccc(NN=C(CCC(C)(C)C)c2cscn2)c1 807959857 COTPJVATZSBOEW-UHFFFAOYSA-N 317.458 4.794 30 20 DJED C=CCC(F)(F)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 815381966 WRYODGDZJWGSMQ-UHFFFAOYSA-N 323.289 4.782 30 20 DJED CC[C@@H](c1ccc(F)cc1)[S@@](=O)CCCCC1(C#N)CCC1 899392186 QOPCQIULTWXROP-JTSKRJEESA-N 321.461 4.890 30 20 DJED CCCCCCCC(=O)NCc1nc2cc(Cl)ccc2s1 920470078 WZCHXPMGVILWAZ-UHFFFAOYSA-N 324.877 4.926 30 20 DJED N#C[C@@H]1CC[C@@H](N[C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)C1 927063715 DBBGHQIFBQGSPZ-WELBPKCISA-N 318.420 4.533 30 20 DJED Cc1cc(C#N)ccc1Oc1ccc(-c2nnc(C3CC3)o2)cc1 1118412269 FVQFEDVPIXVERK-UHFFFAOYSA-N 317.348 4.586 30 20 DJED N#Cc1ccc(SCc2ccc(Br)cc2F)cc1 1165547118 UTMNACLSPXXLKO-UHFFFAOYSA-N 322.202 4.752 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1ccccc1C1CC1 1167024185 RJYBSCOSJFXIQJ-UHFFFAOYSA-N 304.437 4.848 30 20 DJED CCCC[C@@H](CC)COC(=O)CSCc1cccc(C#N)c1 1188669235 LYEUJWCPEOLSLA-OAHLLOKOSA-N 319.470 4.551 30 20 DJED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCc1ccccc1Cl 1191157377 XSEKOEFVSLWXRP-ICSRJNTNSA-N 324.855 4.654 30 20 DJED C=C(Br)CN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 1193574641 IBGQITIHVBXSAM-GVDBMIGSSA-N 320.274 4.553 30 20 DJED Cc1cccc(C2=CCN(Cc3ccc(F)cc3C#N)CC2)c1C 1308146698 JCSJYQJVSIPGCS-UHFFFAOYSA-N 320.411 4.604 30 20 DJED C[C@H](CC1(C#N)CCOCC1)NCC1CC(C)(C)CC(C)(C)C1 1308855950 TZAXTTWKTWVDDX-MRXNPFEDSA-N 320.521 4.527 30 20 DJED CC[C@H](C)[C@@H](c1ccccc1)c1nnc(-c2ccc(C#N)cc2)o1 1322510486 RHWRNVVQBHOIIG-KSSFIOAISA-N 317.392 4.786 30 20 DJED CCCCOc1ccc(NC(=O)CC#Cc2ccccc2)c(C)c1 1332929310 MLAKVSDXFPIPNC-UHFFFAOYSA-N 321.420 4.554 30 20 DJED CCC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 1359910392 MVQBGWOSGBPEDP-YJBOKZPZSA-N 312.457 4.576 30 20 DJED Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(C#N)cc1F 1435140210 WJTABLHOLCENBD-LJQANCHMSA-N 324.399 4.523 30 20 DJED CCCC[C@H](C(=O)N(C)c1ccc(C#N)c(Cl)c1)C(C)C 1438270977 FCDFCPSUYBVQJD-HNNXBMFYSA-N 306.837 4.637 30 20 DJED Cc1ccccc1SC[C@@H](C)CN1CCc2c(C#N)cccc21 1473570402 VDSSAVUQYDMCRA-HNNXBMFYSA-N 322.477 4.658 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc2ccccc2c1 1537068652 ZLIKYSKBPWTVJZ-HNNXBMFYSA-N 314.388 4.545 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1ccc(C)c2ccccc12 1565637199 VQKUNDPXTKALSS-UHFFFAOYSA-N 322.452 4.940 30 20 DJED CC(C)c1cc(Sc2cccc(F)c2C#N)nc(C(C)C)n1 1612538553 AXAOUXJKWXTSLK-UHFFFAOYSA-N 315.417 4.885 30 20 DJED CC[C@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)[C@@H]1C 1617361593 VXWZWQIKKRPXMT-AEFFLSMTSA-N 304.437 4.846 30 20 DJED Cc1cc(S[C@@H](C)c2noc(-c3ccccc3)n2)ccc1C#N 1641222722 KCHAESNFROBIGO-ZDUSSCGKSA-N 321.405 4.770 30 20 DJED C[C@@H]1CSc2ccc(Cl)cc2N(C[C@H](C)CCC#N)C1 1647045133 VDHHUGUSKRUANK-OLZOCXBDSA-N 308.878 4.828 30 20 DJED C[C@@H]1CN(c2c(C#N)cnc3c(Cl)cccc23)CC(C)(C)C1 1650907198 QTGNJMOCBXZKNW-LBPRGKRZSA-N 313.832 4.632 30 20 DJED N#Cc1c(F)cccc1N[C@H]1C[C@H](c2ccccc2Cl)C1 1651900268 OMVSTXBZRQSLFJ-HAQNSBGRSA-N 300.764 4.709 30 20 DJED N#C[C@@H](CCc1ccccc1)S[C@@H]1CCOc2ccccc21 1652717354 IZTQLEMPMAIXER-VQIMIIECSA-N 309.434 4.768 30 20 DJED CCC1(CC)CN(c2ncc(C#N)cc2Cl)c2ccccc21 1655300708 SVMQWARFYFWYAG-UHFFFAOYSA-N 311.816 4.816 30 20 DJED N#C[C@@H](Sc1nccn1-c1cccc(F)c1)C1CCCCC1 1656120143 ZREDOWOSLUZYKS-MRXNPFEDSA-N 315.417 4.576 30 20 DJED C=CCc1ccccc1OCC(=O)Nc1ccc2ccccc2c1 5476552 ORAPVFIQNXYOMO-UHFFFAOYSA-N 317.388 4.586 30 20 DJED CC(C)Oc1cccc([C@@H](C)Nc2snc(Cl)c2C#N)c1 52280501 TUJMRTDCEYWPKD-SNVBAGLBSA-N 321.833 4.628 30 20 DJED Cc1cccc(C)c1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 66158031 RGLNVSUVSVHUAL-UHFFFAOYSA-N 321.424 4.618 30 20 DJED N#Cc1cc(Cl)ccc1N[C@@H](c1ccccc1)c1ccccn1 68659345 RFQRNYMTDYXJSB-IBGZPJMESA-N 319.795 4.808 30 20 DJED CCC(C)(C)CC(=O)Nc1ccccc1SC[C@H](C)C#N 73082730 PUHAETGBAFUBSN-CYBMUJFWSA-N 304.459 4.703 30 20 DJED Cc1nc(N[C@H](CCC#N)c2ccccc2)c2c(C)csc2n1 127935494 TZIIMQFZWRBEGM-OAHLLOKOSA-N 322.437 4.765 30 20 DJED N#Cc1ccc(F)c(CNc2ccc(CCC(F)(F)F)cc2)c1 176957414 MGSQLRVLHMNCAU-UHFFFAOYSA-N 322.305 4.804 30 20 DJED CCCCCCC[C@H](C)NC1CCC(O)(c2cccnc2)CC1 186458038 ZKVUTEMBWFIOSW-KKXNLOMOSA-N 318.505 4.550 30 20 DJED CCC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)cc1F 192161927 FMGZTNZWOGOFQQ-GOSISDBHSA-N 318.342 4.607 30 20 DJED CC(C)(CCC#N)CNc1ccc(Br)c(Cl)c1 227943485 SSALRZDENFMIIS-UHFFFAOYSA-N 315.642 4.844 30 20 DJED N#Cc1ccc(NCCC2CCCCC2)cc1Br 228179275 MJUMWBIJMXWEII-UHFFFAOYSA-N 307.235 4.703 30 20 DJED Cc1ccccc1[C@H]1CCCN1c1ccc2cc(C#N)ccc2n1 301812162 HHUVKCHMMRHITH-HXUWFJFHSA-N 313.404 4.756 30 20 DJED Cc1c([C@H](C)/N=C(/O)C[C@@H]2CCC(=O)[C@H]2C)oc2ccccc12 330035903 XTMUSTNBKVQNDR-UBHSHLNASA-N 313.397 4.764 30 20 DJED CC1(C)C(O)=Nc2ccc(/C(O)=N/[C@H]3CCCc4occc43)cc21 330213458 KZARKYJWQXCBLA-AWEZNQCLSA-N 324.380 4.541 30 20 DJED C=CC[C@H](C(=O)NCC[C@@H](C)c1ccccc1)c1ccccc1 410218758 KKQJYNSAKYGJEJ-XLIONFOSSA-N 307.437 4.656 30 20 DJED Cc1ccc(C)c([C@H](C)N(C)C(=O)Nc2cccc(C#N)c2C)c1 431708271 KHGZSBGZWXOCCB-INIZCTEOSA-N 321.424 4.708 30 20 DJED N#CCCC[C@H](NCc1nc(C2CC2)cs1)c1ccccc1 433019933 QRLGTWLWKMHLIN-INIZCTEOSA-N 311.454 4.545 30 20 DJED C[C@H]1CCN(CCCCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 441252953 CENSYJJSNSWARZ-XJKSGUPXSA-N 310.363 4.782 30 20 DJED C[C@H](SCc1ccc(-n2cccn2)cc1)c1cccc(C#N)c1 443149247 XHGMAGGSBFEIBE-HNNXBMFYSA-N 319.433 4.738 30 20 DJED C[C@@H](SCCc1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 443162939 VZLFQMQXXICCOI-CYBMUJFWSA-N 312.394 4.503 30 20 DJED C=CCCCC[C@H](C)Nc1cccc(CS(=O)(=O)C(C)C)c1 449052671 FIYQHBVCEXUOES-INIZCTEOSA-N 323.502 4.557 30 20 DJED C=C(C)Cn1c(C(C)C)nnc1N1CCCC[C@H]1c1ccccc1 460930425 HZWRXOQXWBKHSF-SFHVURJKSA-N 324.472 4.709 30 20 DJED C=CC[C@H]1N(C(=O)c2csc(C(C)(C)C)n2)CCCC1(C)C 470278892 IAHSMQQXKAHAMU-CQSZACIVSA-N 320.502 4.648 30 20 DJED CC(C)(C#N)CCCN1Cc2ccccc2[C@H](c2ccccc2)C1 471717182 YGULVZCKPJSNHL-NRFANRHFSA-N 318.464 4.964 30 20 DJED C=CCC1(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCC1 478057383 IKUIQEHZQIVOKX-UHFFFAOYSA-N 315.747 4.626 30 20 DJED C=CCSc1ccccc1C(=O)Nc1cccc2[nH]ccc12 486253378 QNFBPFCFQWTNPN-UHFFFAOYSA-N 308.406 4.698 30 20 DJED N#Cc1cc(Cl)cc(OCc2csc(-c3ccoc3)n2)c1 487390855 QCCAKIMKEUANKJ-UHFFFAOYSA-N 316.769 4.507 30 20 DJED C=CCCC[C@H](C)NC(=O)N(C)[C@@H](CC)c1ccccc1OC 501560075 WSMREOKFIMQRGN-RDJZCZTQSA-N 318.461 4.533 30 20 DJED CC(C)(C)[C@@H](NCc1cccc(C#N)c1F)c1ccc(F)cc1 512416762 VNBHSRCDQIJCQU-SFHVURJKSA-N 314.379 4.713 30 20 DJED C=CCC[C@H](NCCc1cccc2cccnc12)c1ccco1 513673758 WTNWQRFWWLBWRO-SFHVURJKSA-N 306.409 4.667 30 20 DJED CC[C@H](CNCc1cccc(OCCCC#N)c1)c1ccccc1 520217038 DEHQZJPCQLICPL-LJQANCHMSA-N 322.452 4.653 30 20 DJED CCC[C@H](C#N)NC(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F 521917660 QLNQGNOXCAKACY-QGZVFWFLSA-N 324.399 4.532 30 20 DJED Cc1ccccc1C1CC(N(Cc2ccccc2C#N)C2CC2)C1 525638902 ILWKTAMXASHNCG-UHFFFAOYSA-N 316.448 4.777 30 20 DJED Cc1cc([C@H](N[C@H](C)c2ccc(C#N)cc2)C2CC2)ccc1F 539424204 KEDSBCVCKBZXBR-JLTOFOAXSA-N 308.400 4.808 30 20 DJED C[C@H](Nc1ncccc1C#N)c1ccc(-c2cccc(C#N)c2)cc1 542039894 YTSBPHNQGCGSRB-HNNXBMFYSA-N 324.387 4.665 30 20 DJED C=CCC[C@@H](C(=O)Nc1cccc2cc[nH]c12)c1ccccc1 547636294 HLBNYSOVHDSKLK-QGZVFWFLSA-N 304.393 4.856 30 20 DJED N#Cc1ccnc(N[C@H](c2ccccc2)c2cccc(Cl)c2)c1 552959331 ZFYVJEDSWIRFCK-LJQANCHMSA-N 319.795 4.808 30 20 DJED C[C@@H](c1ccccc1)N(C(=O)c1ccc(Cl)c(C#N)c1)C1CC1 553137086 JASFVCLWJBUSNV-ZDUSSCGKSA-N 324.811 4.577 30 20 DJED C=CCC[C@H](Nc1cccc2c1OCC[C@H]2OC)c1ccco1 556877569 HLYIWIXWIMBKFY-DOTOQJQBSA-N 313.397 4.869 30 20 DJED Cc1ccccc1[C@H](C)CC(=O)Nc1cc(C#N)cn1C(C)(C)C 566877224 CVAGBUJTPVNMOK-OAHLLOKOSA-N 323.440 4.556 30 20 DJED Cc1cccc2c1CC[C@@H]2N[C@H](C)c1ccc(C#N)cc1Cl 569657232 UPKLUCGSVSQHGL-YJYMSZOUSA-N 310.828 4.858 30 20 DJED C[C@@H]1CCCC[C@H]1c1noc(C[C@@H](CC#N)c2ccccc2)n1 574942092 BRLWOSYSVOFYKO-DJIMGWMZSA-N 309.413 4.603 30 20 DJED Cc1cccc(N(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1C 594061186 HVOLBHCTVNPYLL-UHFFFAOYSA-N 321.424 4.773 30 20 DJED C=CC1CCN(C(=O)Nc2cccc(Oc3ccccc3)c2)CC1 601142904 DJKVCSVQADVOIR-UHFFFAOYSA-N 322.408 4.909 30 20 DJED CCN(CCCc1cccc(OC)c1)[C@@H](C)c1ccc(C#N)cc1 610212601 KZFOLGZESCQTCA-KRWDZBQOSA-N 322.452 4.583 30 20 DJED C=CCC(CC=C)C(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 672163633 DLJGRGGKXGTJRX-VAMGGRTRSA-N 309.453 4.550 30 20 DJED C=CCN(C(=O)NCc1cccc(-c2cccc(C)c2)c1)C(C)C 726851422 NYBYQOPAKJSHAR-UHFFFAOYSA-N 322.452 4.768 30 20 DJED CCCOc1ccc(/C=C2\Cc3c(C)cccc3C2=O)cc1OC 729151074 ONOUYWJIJYGLFQ-LFIBNONCSA-N 322.404 4.615 30 20 DJED O=C(/C=C\c1coc(-c2ccccc2)n1)c1ccc(Cl)s1 731835578 JEKYKATWXRSKSD-SREVYHEPSA-N 315.781 4.953 30 20 DJED O=C1/C(=C\c2cc(F)c(F)c(F)c2)Cc2cc(Cl)ccc21 742438239 ULDLACXVSOJYMQ-KMKOMSMNSA-N 308.686 4.580 30 20 DJED CC(C)c1cccc(NC(=S)N[C@@H](C)c2cccc(C#N)c2)c1 743059667 NEBWLEZJFUJLGI-AWEZNQCLSA-N 323.465 4.729 30 20 DJED CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2cccc(C)c2)c1 743475997 APQISZUXAOLPMV-APWZRJJASA-N 308.425 4.527 30 20 DJED Cc1ccc(-c2nc(/C=C3\Cc4cc(C)ccc4C3=O)co2)cc1 749890947 DXYAVBXANRLAKW-GZTJUZNOSA-N 315.372 4.781 30 20 DJED N#Cc1c(F)ccc(C=NNc2cccc3ccccc23)c1Cl 761804724 YRQHFNFVMXJGDS-UHFFFAOYSA-N 323.758 4.950 30 20 DJED O=C(/C=C/c1ccccc1F)c1cc(Br)ccc1F 763123262 ZVFYHLIJAKTFLH-VMPITWQZSA-N 323.136 4.623 30 20 DJED N#Cc1ccc(-c2ccc(OC(=O)c3ccoc3Cl)cc2)cc1 764738393 BZJZGEHLJNGBOS-UHFFFAOYSA-N 323.735 4.691 30 20 DJED Cc1cc(C#N)ccc1CSc1nnc(-c2ccccc2)s1 776797391 DRLITZGWYRGCHF-UHFFFAOYSA-N 323.446 4.678 30 20 DJED C=CCC[C@H](C(=O)OCc1cccnc1Cl)c1ccccc1 778553244 UTRBBHZODDGMNW-INIZCTEOSA-N 315.800 4.528 30 20 DJED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1sccc1Cl 782340726 FDVQFAOCWRDPPB-PLNGDYQASA-N 307.758 4.514 30 20 DJED O=C(/C=C\c1scnc1C1CC1)c1ccc2cc(O)ccc2c1 782341494 KSCZSXKIXDKIDS-FPLPWBNLSA-N 321.401 4.775 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(SC(F)F)cc1 785594759 ZLJSVGSGFSVIEK-GFCCVEGCSA-N 312.385 4.574 30 20 DJED CCc1ccc(C(=O)/C=C\c2cccc(C(=O)O)c2Cl)s1 787166821 BOHCBEFQRHKCLP-VURMDHGXSA-N 320.797 4.558 30 20 DJED Cc1cc(C(=O)/C=C\c2cccc(Oc3ccccc3)c2)no1 791433068 PGOSJGZCLYLDPN-KHPPLWFESA-N 305.333 4.671 30 20 DJED N#Cc1ccc(NN=C2CCC[C@@H]2CCF)cc1C(F)(F)F 794905447 HXWWVPGOMRZTKL-SNVBAGLBSA-N 313.298 4.505 30 20 DJED C=CCN(Cc1cccs1)C(=O)/C=C\c1ccc(Cl)s1 822264572 AFOSZSGWWDBAMU-VURMDHGXSA-N 323.870 4.691 30 20 DJED C[C@H](OC(=O)[C@@]1(C#N)CC12CCCC2)c1cc2ccccc2o1 839331852 ICRSLANXQRQOCD-DJJJIMSYSA-N 309.365 4.511 30 20 DJED C[C@@H](C#N)Oc1ccccc1NC(=O)c1cccc(C(C)(C)C)c1 846959658 XHMGVFALKSVXSR-AWEZNQCLSA-N 322.408 4.527 30 20 DJED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C=C2CCCC2)cc1 917669543 RVEHXAJPHUVRRC-HXUWFJFHSA-N 316.404 4.781 30 20 DJED CC(C)Cc1ccc(CCCC(=O)Nc2ccccc2C#N)cc1 1124260610 PRRAPDXWTREINJ-UHFFFAOYSA-N 320.436 4.718 30 20 DJED CO[C@@H](c1ccccc1Cl)[C@@H](C)Nc1cccc(F)c1C#N 1162944109 ZNNVTHOBSVSXOR-PIGZYNQJSA-N 318.779 4.539 30 20 DJED C[C@H](CCC#N)CN(Cc1c(Cl)cccc1Cl)C1CC1 1181577220 QWNBRDSVNOFGJW-GFCCVEGCSA-N 311.256 4.898 30 20 DJED CCN(C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C(C)C 1216827268 OQGGKVIWWXGRLE-UHFFFAOYSA-N 323.396 4.613 30 20 DJED C[C@@H](OC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)c1cccc(C#N)c1 1266018824 KTCAFMXSEAZMDH-TWKWOARYSA-N 311.425 4.769 30 20 DJED CCC[C@H](CCc1ccccc1)Nc1ncc(C#N)cc1Cl 1306980281 VEYRBSFHUYTDJI-MRXNPFEDSA-N 313.832 4.820 30 20 DJED Cc1cccc(C)c1[C@@H](C)OC(=O)c1ccc(C#N)c(Cl)c1 1435585641 VXHBBNDKEVDKEK-CYBMUJFWSA-N 313.784 4.747 30 20 DJED Cc1cc(C)c2c(c1)CCN(Cc1ccccc1C(C)(C)C#N)C2 1460973616 DLHLHKMMNCTIOO-UHFFFAOYSA-N 318.464 4.663 30 20 DJED N#Cc1ccccc1SC[C@@H](O)c1ccc(Cl)cc1Cl 1472990270 UNTWTVUAQAXPGV-CQSZACIVSA-N 324.232 4.691 30 20 DJED CCN(CCOc1ccccc1C)CCC1(C#N)CCCCC1 1473569935 NBOOFHZHXIKSMW-UHFFFAOYSA-N 314.473 4.560 30 20 DJED CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)CC1 1518030605 QSJNGBHUGDGLGU-CJNGLKHVSA-N 318.848 4.546 30 20 DJED C[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 1528199785 RWVCVLMPUKLFAN-CABCVRRESA-N 320.392 4.725 30 20 DJED Cc1cc(Cl)c(C(=O)O[C@H](C)c2cccc(C#N)c2)cc1C 1533365786 YGJJFLVTQTYQOP-CYBMUJFWSA-N 313.784 4.747 30 20 DJED N#Cc1c(F)cccc1NCC1(Cc2cccc(Cl)c2)CC1 1559208786 WVIZIVWZDSUZGZ-UHFFFAOYSA-N 314.791 4.786 30 20 DJED CCCOc1ccc(CN(CCC#N)CCC(C)C)c(C)c1 1560657463 NJVZPXLCNBXCQA-UHFFFAOYSA-N 302.462 4.546 30 20 DJED C[C@H]1CCc2ccccc2[C@H]1NC1CC(C#N)(c2ccccc2)C1 1560707278 GXBQDPLXPAJKQR-HAKONZSTSA-N 316.448 4.524 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)CCCc2ccc3ccccc3c2)C1 1596977232 FRSHPHIAMRTXTA-XLIONFOSSA-N 321.420 4.788 30 20 DJED CCC(C)(C)C1CCC(CC(=O)N(CCC#N)C(C)C)CC1 1598245160 MKCDVELIDSLMEK-UHFFFAOYSA-N 306.494 4.770 30 20 DJED N#CCc1cccc(NCc2ccc(-c3cccc(F)c3F)o2)c1 1620939540 MEWJCKOULYHIMD-UHFFFAOYSA-N 324.330 4.903 30 20 DJED Cc1ccc2oc(CNc3nc(C)c(C#N)cc3Cl)cc2c1 1640161335 LHUXUDMZULPGOW-UHFFFAOYSA-N 311.772 4.582 30 20 DJED CC1(C)CN(c2cccc(F)c2C#N)c2cccc(Cl)c21 1651574573 LQCZUJYGRGQQGA-UHFFFAOYSA-N 300.764 4.780 30 20 DJED CC(=O)[C@](C#N)(CCSc1cccc(C)c1)c1ccccc1 1652625143 YCSYCBPSHQQNDH-LJQANCHMSA-N 309.434 4.528 30 20 DJED C[C@H]1[C@@H](c2ccccc2)CCN1Cc1ccccc1C(C)(C)C#N 1653528715 FPBVXMAZNBMLPI-PXNSSMCTSA-N 318.464 4.866 30 20 DJED C[C@@H](Nc1nc(C#N)c(Cl)s1)c1cc2ccccc2o1 1655374704 OGKUWIORMRCDGJ-MRVPVSSYSA-N 303.774 4.587 30 20 DJED COc1ccc(C#N)cc1NC/C=C/c1c(C)cc(C)cc1C 1656390148 AIBOLNJJFOOOPT-AATRIKPKSA-N 306.409 4.617 30 20 DJED CC[C@@H]1CCCC[C@H]1CNC(=O)Nc1ccc(C#N)c(Cl)c1 1657862622 UPVGVZWNZZGBBF-OCCSQVGLSA-N 319.836 4.550 30 20 DJED CCC(CC)CN(C/C=C/c1ccc(F)cc1F)CCC#N 1658956381 WQGXRAPFCSHVST-FNORWQNLSA-N 306.400 4.630 30 20 DJED CCSc1ccccc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 25440155 LXIQFUWGAQFLAA-UHFFFAOYSA-N 324.449 4.852 30 20 DJED CCCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC 57437807 RBGHLXPEEVXBGA-ONNFQVAWSA-N 314.356 4.519 30 20 DJED CCSc1cccc(NCc2ccc(O[C@H](C)C#N)cc2)c1 178234709 KYTYEBXURBHROZ-CQSZACIVSA-N 312.438 4.702 30 20 DJED C=C(C)[C@H](N[C@H](C)c1ccc(F)cc1O)c1ccc(F)c(F)c1 186454613 LLPWJQBAOJXFJP-ZMZPIMSZSA-N 321.342 4.778 30 20 DJED C[C@@H]1CCC[C@H](N(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 193045801 YWXBKHBSDQZTEI-PBHICJAKSA-N 313.445 4.530 30 20 DJED O=C1/C(=C\c2nc(-c3ccccc3)cs2)Cc2ccccc21 206844162 HJHHFKGRQYBHEY-PTNGSMBKSA-N 303.386 4.633 30 20 DJED CCCc1cccc(C(C)C)c1NC(=O)N(CC)CCC#N 276461461 MZOAPILQUTURCT-UHFFFAOYSA-N 301.434 4.530 30 20 DJED C[C@@H]1CCC[C@@H](/N=C(/O)c2ccc3c(c2)N=C(O)C3(C)C)CC1 328990421 ICYWBOSDQORQOD-TZMCWYRMSA-N 314.429 4.839 30 20 DJED N#Cc1c(N=C(O)[C@@H]2CCCCS2)sc2c1CCCCC2 329337187 PRCCAULDPAWHLA-AWEZNQCLSA-N 320.483 4.762 30 20 DJED Cc1ccc2ccccc2c1CN(CCC#N)Cc1ccco1 361542282 XUDHWCWUXUBMCT-UHFFFAOYSA-N 304.393 4.657 30 20 DJED CSc1cc(C)ccc1NC(=O)C[C@H](CC#N)c1ccccc1 413892389 FKTZIHBOSOJBRM-INIZCTEOSA-N 324.449 4.743 30 20 DJED N#Cc1ccc(CN[C@H]2CCc3c(Cl)cc(Cl)cc32)s1 421207353 WEOVAGKMRMAUAI-HNNXBMFYSA-N 323.248 4.704 30 20 DJED C=CCOc1cccc(CN[C@H](CC(F)F)c2ccccc2)c1 421380689 ZCXKDZQAIBBNKG-GOSISDBHSA-N 317.379 4.738 30 20 DJED C[C@H](N[C@H](CC(F)F)c1ccccc1)c1ccc(C#N)cc1 421880622 QOWQJYVBKBQRIA-SUMWQHHRSA-N 300.352 4.605 30 20 DJED C=CCC[C@H](NC(=O)CC1CC1)c1ccc(C(F)(F)F)cc1 441538140 CXXLQVBXMUXFFW-HNNXBMFYSA-N 311.347 4.629 30 20 DJED Cc1nc(S[C@H](C)c2cccc(C#N)c2)c2ccccc2n1 442900011 OOMKFIGNGQSUIF-GFCCVEGCSA-N 305.406 4.663 30 20 DJED CC(C)(C#N)CCCCN1CC[C@H](Oc2ccccc2Cl)C1 444667372 UMISGCGNIDAACS-HNNXBMFYSA-N 320.864 4.513 30 20 DJED CC1(C#N)CCC(Nc2ccccc2N2C[C@H]3CC[C@H]2C3)CC1 449294568 ZJNMVIKTOUOUCI-HMFCVHIJSA-N 309.457 4.560 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@H]1[C@@H](CC)c1ccccc1 467518968 CPBLPPDJLRJFAI-PMACEKPBSA-N 311.469 4.940 30 20 DJED N#CC1(CSCc2ccc(Br)c(Cl)c2)CC1 468647967 IDAZOMCMAZHMCS-UHFFFAOYSA-N 316.651 4.639 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc(Cl)cc1 481932543 NHISWFFAXJGDHG-LJQANCHMSA-N 310.828 4.769 30 20 DJED CC(C)(C#N)c1ccccc1CNc1ccc(Cl)c(F)c1 486451487 ZUPUHFSOFSPGHS-UHFFFAOYSA-N 302.780 4.892 30 20 DJED Cc1ccc(C#N)cc1NCc1cc(Cl)cc2cccnc12 500994065 GVUFEBZOVSBMHR-UHFFFAOYSA-N 307.784 4.680 30 20 DJED C=C(CC)CSCc1cccc(C(=O)N2CCCCC2)c1 540193266 LZSYGWJIYZDRBG-UHFFFAOYSA-N 303.471 4.512 30 20 DJED Cc1cccc2nc(CS[C@@H](C)c3ccc(C#N)cc3)cn12 541161591 VKTUMOIDMSDXPO-AWEZNQCLSA-N 307.422 4.509 30 20 DJED C=CCn1c(SCCCCCF)nnc1-c1ccccc1C 551088061 VHTZKILLDHIIGA-UHFFFAOYSA-N 319.449 4.671 30 20 DJED N#Cc1ccc(NC(=O)Nc2ccc(OC3CCCC3)cc2)cc1 603500864 PWOJLDZTMUCQSA-UHFFFAOYSA-N 321.380 4.524 30 20 DJED CCCCN(C(=O)Nc1cccc(C#N)c1)[C@@H](C)c1ccccc1 603842148 KSSLPARVIRKFBY-INIZCTEOSA-N 321.424 4.953 30 20 DJED N#Cc1ccc(N2CCCc3sccc3C2)c(C(F)(F)F)c1 609963564 CBJHXRHPQSPLQE-UHFFFAOYSA-N 322.355 4.591 30 20 DJED CCc1ccc([C@H](C)NCc2ccc(C#N)c(Cl)c2)s1 619754754 JVCUYZQOBAVDKE-NSHDSACASA-N 304.846 4.686 30 20 DJED C[C@H](N[C@H](C)CC(F)(F)F)c1ccc(F)cc1C(F)(F)F 623961890 RAKOAOLKJIEIQN-SFYZADRCSA-N 317.248 4.836 30 20 DJED O=C1/C(=C\C2=Cc3ccccc3OC2)CCCc2ccccc21 726739590 FDEJJRYJCORQEV-AQTBWJFISA-N 302.373 4.608 30 20 DJED O=C1/C(=C/c2ccc(N3CCCCC3)cc2)CCc2sccc21 726891152 GTGNAFJMMHYQAH-JQIJEIRASA-N 323.461 4.951 30 20 DJED C#Cc1cccc(N(C(=O)c2ccc(OC(C)C)cc2)C(C)C)c1 728247681 FQROJDWYBFPRES-UHFFFAOYSA-N 321.420 4.510 30 20 DJED C=CCN(C(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl)C(C)C 730475037 WTFXEJPRPBVQBC-LBPRGKRZSA-N 314.256 4.595 30 20 DJED CSc1ccc(C(C)=NNc2cc(F)c(F)cc2F)cc1 734302720 LNBQTFMKYPMOQO-UHFFFAOYSA-N 310.344 4.662 30 20 DJED C/C=C/C=C/C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 742961472 KTRZWPHZAYQZAI-DSXPNFDZSA-N 322.339 4.560 30 20 DJED CC(=NNc1oc(C(C)C)nc1C#N)c1ccc(C(C)C)cc1 745612109 PGEFNXUPMBOJJU-UHFFFAOYSA-N 310.401 4.629 30 20 DJED CC(C)c1cccc(C(C)C)c1NC(=O)C#Cc1ccccc1 747213685 VGRSXWBORWLYJY-UHFFFAOYSA-N 305.421 4.924 30 20 DJED CCc1ccc(NC(=S)N[C@H](CCC#N)c2ccccc2)cc1 747710927 XLCGMJILHYIWKK-GOSISDBHSA-N 323.465 4.580 30 20 DJED CC[C@H](C#N)OC(=O)c1cc2sc3ccccc3c2s1 753422683 ZMPGIAUHWBDUCL-SECBINFHSA-N 301.392 4.575 30 20 DJED COc1ccsc1/C=C\C(=O)c1cccc(C(F)(F)F)c1 764432497 CCRKEJUJMIBHRQ-WAYWQWQTSA-N 312.312 4.672 30 20 DJED O=C(/C=C\c1csc(-c2ccc(Cl)cc2)n1)c1ccco1 769770818 JQKPNSBKHQWWBB-FPLPWBNLSA-N 315.781 4.953 30 20 DJED O=C(/C=C\c1cccc2nccn12)c1cc2cc(Cl)ccc2o1 771285248 HJGFDEFPZCKZSH-WAYWQWQTSA-N 322.751 4.630 30 20 DJED C=CCC[C@H](C(=O)OCc1ccc(Cl)nc1)c1ccccc1 777670387 WYTODZVZLLXKHD-INIZCTEOSA-N 315.800 4.528 30 20 DJED O=C1/C(=C/c2sccc2Cl)CCOc2ccc(F)cc21 782321590 BNBOMLLRIVHEHW-VQHVLOKHSA-N 308.761 4.589 30 20 DJED Cc1c(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cnn1C(C)C 787187776 XBIYJPDCKVGYLO-RMKNXTFCSA-N 322.330 4.687 30 20 DJED CCc1cccc(Cl)c1C=NNCc1cccc(Cl)c1 788718108 JGLZHLACQXGJEY-UHFFFAOYSA-N 307.224 4.680 30 20 DJED CC(=NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)C(C)C 794981833 RRVONAQMUFNAFA-UHFFFAOYSA-N 322.334 4.606 30 20 DJED C=CC[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccncc1 795796874 VCOQMCZFRHUONB-LEWJYISDSA-N 317.436 4.628 30 20 DJED CCc1ccc(C(C)=NNc2ncnc(Cl)c2C(C)C)s1 797404955 LIDZOTZEJKSYEX-UHFFFAOYSA-N 322.865 4.713 30 20 DJED O=C(/C=C/c1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1F 821002186 IPBMAAIAUIFVIR-DHZHZOJOSA-N 321.307 4.783 30 20 DJED C=CC[C@H](NCc1ccc(OCCC)cc1C)c1ccncc1 850137651 RVFHGJIYXPVNMF-FQEVSTJZSA-N 310.441 4.586 30 20 DJED C=CCN(Cc1ccccc1)Cc1c(O)ccc2ccccc12 914570345 AFLMVFFKTCMEPA-UHFFFAOYSA-N 303.405 4.734 30 20 DJED CCCCCCCC(C)=NNc1nnc(-c2ccccc2)n1C 915967600 HYRZQSNQMSUTPS-UHFFFAOYSA-N 313.449 4.630 30 20 DJED CCCCc1nc(CON=Cc2ccc(Cl)cc2)cs1 920398863 FOSNVXOGOVJORS-UHFFFAOYSA-N 308.834 4.690 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1NCC(C1CC1)C1CC1 1162659507 QLVCVJDSEXAOCQ-UHFFFAOYSA-N 311.816 4.608 30 20 DJED Cc1ccnc(NC2CCC(c3ccc(F)cc3)CC2)c1C#N 1163026302 SSFCCGIXZJLZCC-UHFFFAOYSA-N 309.388 4.539 30 20 DJED CC(C)[C@H]1CCc2ccccc2N1Cc1ccc(CC#N)cc1 1168932853 MVFRUKLHKQRGCW-HXUWFJFHSA-N 304.437 4.730 30 20 DJED CCC1CCC(N(C(=O)Nc2ccc(C#N)cc2)C2CC2)CC1 1196399881 OPMSWNJJOHDSSC-UHFFFAOYSA-N 311.429 4.523 30 20 DJED N#Cc1csc(C(=O)N[C@H](c2ccccc2)C2CCCCC2)c1 1264544190 GLIWOWBWKXRPMJ-GOSISDBHSA-N 324.449 4.671 30 20 DJED Cc1ccc(NC(=O)c2cccc(C#N)c2C)c(Cl)c1Cl 1339980566 ZKGYVCCFOSYZQQ-UHFFFAOYSA-N 319.191 4.734 30 20 DJED CCSCc1ccc(Nc2ncc(C#N)cc2Cl)cc1 1458377146 DPZOUYVGXQFUQP-UHFFFAOYSA-N 303.818 4.603 30 20 DJED Cc1ccc(-n2ccnc2SCc2cccc(C#N)c2)c(C)c1 1458854179 TZWXUXMLOWDYEC-UHFFFAOYSA-N 319.433 4.653 30 20 DJED CC[C@@H](NCc1ccc(C#N)cc1OC(F)F)C1CCCCC1 1459823967 FWDJQLVJIOWDQC-MRXNPFEDSA-N 322.399 4.608 30 20 DJED C=C(Br)CN1CCC[C@@H]1CCC1CCCCC1 1473278133 DWJCRSQPDIVTOV-OAHLLOKOSA-N 300.284 4.720 30 20 DJED CCN(C(=O)C[C@@H](C)CC(C)C)c1ccc(C#N)c(Cl)c1 1526042241 WDOJZMJSQYLCGT-ZDUSSCGKSA-N 306.837 4.637 30 20 DJED N#Cc1ccc(F)c(NC(=O)c2sccc2-c2ccccc2)c1 1528041124 UUWDEKDZTDFLDS-UHFFFAOYSA-N 322.364 4.678 30 20 DJED CC(C)c1ccccc1COc1nc2c(cc1C#N)CCCCC2 1559455815 BTGMCFAQQGIEEL-UHFFFAOYSA-N 320.436 4.925 30 20 DJED N#Cc1ccc(CN(CCCc2ccccc2Cl)C2CC2)cc1 1642389123 YLPLQNFLKVJGLG-UHFFFAOYSA-N 324.855 4.809 30 20 DJED N#Cc1cc(Cl)cc(OCC2CCC(C(F)(F)F)CC2)c1 1643967852 JOMQRZTVVDRHFW-UHFFFAOYSA-N 317.738 4.959 30 20 DJED C=C(CNC(=O)N[C@@H](CC)c1cc(C)ccc1C)c1ccccc1 1673395238 GVJKKBMWSKEWNO-FQEVSTJZSA-N 322.452 4.767 30 20 DJED N#C[C@@H](C(=O)CC1CCCCC1)c1nc(-c2ccccc2)cs1 41537313 PVKBSCLALMRXPN-INIZCTEOSA-N 324.449 4.957 30 20 DJED N#CCc1cccc(C(=O)Nc2ccccc2-c2ccccc2)c1 42211163 RVPQVTSTHGIRGJ-UHFFFAOYSA-N 312.372 4.672 30 20 DJED CCCC(=O)Nc1cccc(N[C@@H](C)c2ccc(C#N)cc2)c1C 118443241 UGBDNXDJWZLWQR-HNNXBMFYSA-N 321.424 4.778 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)C(C)(C)c2cccc(F)c2)cc1 129145805 OUKGDSVSPSZDBA-UHFFFAOYSA-N 324.399 4.543 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)[C@H](C)CC2CCCC2)n1 177761290 QEAXOVULMUUJFK-OCCSQVGLSA-N 304.459 4.659 30 20 DJED CC(C)(C#N)c1ccccc1CN[C@H](c1ccccc1)C1CC1 179691975 BTWFEVSKXAVICK-HXUWFJFHSA-N 304.437 4.729 30 20 DJED Cc1cc(N[C@@H](C)c2ccc(OCC#N)cc2)ccc1OC(C)C 179981899 KKDMGKVWKOLERH-INIZCTEOSA-N 324.424 4.858 30 20 DJED CCc1c([C@@H](C)NCc2cccc(C#N)c2)oc2ccccc12 193871528 BRXPVOGEADKNEO-CQSZACIVSA-N 304.393 4.718 30 20 DJED CCOc1ccc(/C=C2/CCc3ccccc3C2=O)cc1OCC 207683943 MFHSHRLCTBVVEX-LGMDPLHJSA-N 322.404 4.697 30 20 DJED N#Cc1cccc(/C=C\c2nc(-c3ccc(F)cc3)cs2)c1 208307372 USIRPQYTPUKWCK-WTKPLQERSA-N 306.365 4.991 30 20 DJED COc1cccc(/C=C\C(=O)c2ccc(C)s2)c1OC(C)C 211711461 ATUUMCPHXWJZRT-KTKRTIGZSA-N 316.422 4.748 30 20 DJED COc1ccccc1-c1ccc([C@@H](C)N[C@H](C)CCC#N)cc1 298854690 IUHGHAJBGXQZKB-HZPDHXFCSA-N 308.425 4.705 30 20 DJED CCCCCCCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C 303856525 OHWYAXIRUHAMBK-NVXWUHKLSA-N 305.437 4.891 30 20 DJED O/C(Cc1noc2ccccc12)=N/[C@H]1CCCCC12CCCC2 329756768 YVICVFSBZMXAQX-KRWDZBQOSA-N 312.413 4.830 30 20 DJED C[C@@H]1CC[C@H](/N=C(/O)[C@H]2CCC(=O)c3cccn32)c2ccccc21 329883820 ROHDQCRSVXQRQE-RPVQJOFSSA-N 322.408 4.601 30 20 DJED CC1=C(C(O)=Nc2ccccc2N/C(O)=N/C(C)C)CCC1 331221509 AURAWCKEAICWJS-UHFFFAOYSA-N 301.390 4.509 30 20 DJED C[C@@H](NCc1ccc(C#N)s1)c1cc(Cl)sc1Cl 421883960 QNGUBZXYLCADJB-SSDOTTSWSA-N 317.266 4.839 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccccc1-c1csc(C)n1 433775533 ANNNLRKDZGTEHG-UHFFFAOYSA-N 315.442 4.548 30 20 DJED N#Cc1ccccc1Oc1ccc(NC(=O)CCC2CC2)cc1F 437460352 MNROASCSQDSWKY-UHFFFAOYSA-N 324.355 4.618 30 20 DJED N#C[C@@H]1CCC[C@H](Nc2cccc(COc3cccc(F)c3)c2)C1 447591490 IHQTZAFLJIBXQG-QAPCUYQASA-N 324.399 4.899 30 20 DJED C=CCC1(C(=O)Nc2cnn(C3CCCC3)c2C)CCCCC1 451213143 RSTPLRAOSBSTSO-UHFFFAOYSA-N 315.461 4.772 30 20 DJED Cc1ccc(C)c([C@@H](C)N(C)C(=O)Nc2cccc(CC#N)c2)c1 455916782 JBPOYYZZZHMFCX-MRXNPFEDSA-N 321.424 4.594 30 20 DJED C=CCCN(C)C(=O)Nc1c(F)cccc1Oc1ccccc1 466546814 VRBZQCIFOHFFDU-UHFFFAOYSA-N 314.360 4.658 30 20 DJED CC(C)c1nc2sc3c(c2c(-c2cccnc2)c1C#N)CCC3 468781540 BSDGLYHANZRHPT-UHFFFAOYSA-N 319.433 4.842 30 20 DJED CC1CCC(N(C(=O)C[C@H](CC#N)c2ccccc2)C2CC2)CC1 475319251 HYNVCMPAZGMZSG-AVAKVYKDSA-N 324.468 4.644 30 20 DJED Cc1ccc(Sc2c(Cl)cccc2NC(=O)CC#N)cc1 476772150 BGQJNYAFHFNPJR-UHFFFAOYSA-N 316.813 4.652 30 20 DJED C=C(C)[C@H](N[C@@H](C)c1ccc(OC)cc1)c1ccc(F)c(F)c1 480681900 NKDYCKVVXNPFFX-DJJJIMSYSA-N 317.379 4.941 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1ccc(CSC)cc1 482911460 QLGINFWNDJRGEV-UHFFFAOYSA-N 317.498 4.758 30 20 DJED C=CCOc1cccc(NC(=O)[C@@H](CCC)c2ccccc2)c1 501180493 UFWULHNBPKBKDB-IBGZPJMESA-N 309.409 4.774 30 20 DJED CCCCc1ccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 505326711 WCKFXDWKPNIDOD-HNNXBMFYSA-N 321.424 4.784 30 20 DJED C=CCC[C@@H](NCc1cc(C)ccc1OC(F)F)c1ccco1 513673796 XKMYJCNDFWYFDS-OAHLLOKOSA-N 321.367 4.987 30 20 DJED CC[C@H](CC#N)N[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 514741915 VXBFXHNYUINQEV-OAGGEKHMSA-N 310.363 4.623 30 20 DJED C=CCOc1ccc(CN[C@H]2CCc3sc(Cl)cc32)cc1 582436194 BMXHRHOXUKYOQS-HNNXBMFYSA-N 319.857 4.743 30 20 DJED N#C[C@H](Cc1ccccc1)SC1CCC(C(F)(F)F)CC1 590742282 ZZESPSLADCHZID-NRXISQOPSA-N 313.388 4.976 30 20 DJED C=CCN(C(=O)[C@@H]1CC12CCC2)c1nc(-c2ccccc2)cs1 675414743 FJCFGZLAGCHBDP-HNNXBMFYSA-N 324.449 4.519 30 20 DJED C=CCCc1ccccc1NC(=O)NC1(C(F)F)CCCC1 685091474 FPGVDYQHFYLRAS-UHFFFAOYSA-N 308.372 4.505 30 20 DJED C#Cc1cccc(NC(=S)N2CCC[C@H]2c2ccc(C)cc2)c1 726459502 OZMFJWGPDAIFAO-IBGZPJMESA-N 320.461 4.510 30 20 DJED Cc1cc(C(=O)/C=C/c2cnc(-c3ccccc3)s2)ccc1O 728232461 TUWIXOFDRZKIQX-CSKARUKUSA-N 321.401 4.720 30 20 DJED CCCOc1cc(/C=C2\Cc3ccc(C)cc3C2=O)ccc1OC 730949532 XQPMPNAJRBDOEV-GZTJUZNOSA-N 322.404 4.615 30 20 DJED C=CC[C@H](C)NCc1c(C(C)C)nn(-c2ccccc2)c1Cl 735086831 SNLUDRGSOSWYOL-AWEZNQCLSA-N 317.864 4.703 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)C[C@H]2CCCC[C@H]2C)n1 747193552 JSHKNTQMGRCVRU-MGPQQGTHSA-N 304.459 4.659 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)o2)cc1O 755627056 RKOQBPAHRYEUDJ-VQHVLOKHSA-N 320.344 4.557 30 20 DJED CCOc1cccc(C(=O)/C=C\c2ccc(Cl)nc2Cl)c1 761479323 ZMTUAFSDXGXZEB-VURMDHGXSA-N 322.191 4.683 30 20 DJED CC(CCc1cccc(C(F)(F)F)c1)=NOCC(F)(F)F 764844743 MZPRSRKHPLNLBM-UHFFFAOYSA-N 313.241 4.593 30 20 DJED C=CC[C@H](N[C@@H](CC)c1cc(F)ccc1F)c1ccncc1 766021835 UZXDLQYTSCDXDJ-ROUUACIJSA-N 302.368 4.718 30 20 DJED C#CCC(C)(C)C(=O)N1CC=C(c2cccc3ccccc23)CC1 767072149 SBGUIAPLMOFWHM-UHFFFAOYSA-N 317.432 4.505 30 20 DJED C[C@H](C#N)Oc1ccc(CN2CCC[C@H]2C2CCCCC2)cc1 768319420 NWLPZEIWENVWSN-UZLBHIALSA-N 312.457 4.522 30 20 DJED C=CCN(C(=O)Nc1cc(C(F)F)ccc1Cl)C(C)C 769011673 QVGLBVOMSUBYIL-UHFFFAOYSA-N 302.752 4.706 30 20 DJED C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 775780729 OYPRTZCLCSCLND-CXAGYDPISA-N 322.399 4.556 30 20 DJED C#CC[C@H](NC(=O)Nc1ccc2occ(C)c2c1)c1ccccc1 776086185 ZTICJQPNZJETJT-SFHVURJKSA-N 318.376 4.627 30 20 DJED CCCC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(OCC#N)cc1 776155359 FBZCJQFEYWZKSM-KVSKMBFKSA-N 300.446 4.598 30 20 DJED C=CC[C@H](C(=O)O[C@@H](C)c1ccc(Cl)cn1)c1ccccc1 781602162 XFLQFPJZLQINPA-BBRMVZONSA-N 315.800 4.699 30 20 DJED C=C[C@H](CC(=O)O[C@H](C)c1nc2ccccc2o1)c1ccccc1 781810431 BSOXUBUGIZJOKA-HUUCEWRRSA-N 321.376 4.792 30 20 DJED C#CCC1(C(=O)N2CCc3sccc3[C@H]2CC)CCCCC1 788430605 ACWGGUFPKWMJMO-MRXNPFEDSA-N 315.482 4.558 30 20 DJED CCc1cccc(Cl)c1C=NNc1ccc(C#N)c(Cl)c1 788723262 REBBTBLVDVVQKA-UHFFFAOYSA-N 318.207 4.873 30 20 DJED CCCCCCCC(=O)N[C@H](c1ccc(C)cc1)c1ccccn1 791952765 ZIKWEKYLJTUWMA-OAQYLSRUSA-N 324.468 4.956 30 20 DJED O=C1/C(=C/c2csc3ccccc23)Cc2nc(Cl)ccc21 806579982 XYSIUXTYDDILLU-JXMROGBWSA-N 311.793 4.772 30 20 DJED C#CCC1(c2nc(-c3cnc4ccccc4c3)no2)CCCCC1 809296643 ONPXBPKJLZHOLX-UHFFFAOYSA-N 317.392 4.510 30 20 DJED CSCc1cnc(/C=C2/C(=O)c3cccc(C)c3[C@@H]2C)s1 834434128 BERJZFQQDPUSOX-LLUUXILJSA-N 315.463 4.698 30 20 DJED CC(C)OC(=O)Nc1ccc(OCCC(C)(C)C#N)c(Cl)c1 844770419 LCMIYWVBUSZJSY-UHFFFAOYSA-N 324.808 4.616 30 20 DJED CC(C)C[C@@H](OC(=O)CC1(C#N)CCCCC1)c1ccccn1 850893097 ZWTYYVSZGKXQOJ-QGZVFWFLSA-N 314.429 4.576 30 20 DJED N#CCC[C@H](C#N)CSc1nc(C2CCCCC2)cs1 865396351 PFOAATKXDPBWCU-GFCCVEGCSA-N 305.472 4.726 30 20 DJED O=C(/C=C\c1ccc(F)c(F)c1)c1ccccc1C(F)(F)F 916136459 OAGZXVHLWFRXQT-VURMDHGXSA-N 312.237 4.880 30 20 DJED C=CCN(C(=O)c1c(C)oc2ccc(OC)cc12)c1ccccc1 916140225 GTSACEAAEBXICL-UHFFFAOYSA-N 321.376 4.583 30 20 DJED COc1cc(/C=C\C(=O)c2ccccc2C)cc(Cl)c1OC 916155850 HEVSUIOIVPOFNR-HJWRWDBZSA-N 316.784 4.562 30 20 DJED CC(=NNc1ccc(Cl)c(C(=O)O)c1)c1ccc(Cl)cc1 916259291 BXGAAEPCWXIAQR-UHFFFAOYSA-N 323.179 4.528 30 20 DJED CCC(=NNc1ccccc1C(F)(F)F)c1ccc(O)cc1 916591896 SZGUIHVBIDBOGJ-UHFFFAOYSA-N 308.303 4.637 30 20 DJED C[C@H](C(=O)Nc1cc(C#N)ccc1F)c1ccc2ccccc2c1 1129597979 VAYKKUGLISFHAJ-ZDUSSCGKSA-N 318.351 4.593 30 20 DJED Cc1c(Cl)cnc(NCC(C)(C)C2CCCCC2)c1C#N 1162844897 UNQJYJGTIHDMQI-UHFFFAOYSA-N 305.853 4.934 30 20 DJED C[C@@H]1C[C@H](C(C)(C)C)CCN1c1nc(C(C)(C)C)ccc1C#N 1163422081 JBVKZEULJOXXNL-GDBMZVCRSA-N 313.489 4.902 30 20 DJED CC(C)c1ccccc1CN1CC=C(c2ccc(C#N)cc2)CC1 1192947820 PRLYHINFZCUBKZ-UHFFFAOYSA-N 316.448 4.971 30 20 DJED Cc1c(C#N)c(S[C@@H](C)c2ccc(F)cc2)nc2c1CCC2 1307272283 LLDVOLCYERXLHN-LBPRGKRZSA-N 312.413 4.743 30 20 DJED Cc1ccccc1[C@H](CC(F)(F)F)N[C@@H](C)CC(C)(C)C#N 1308725471 ZLYCYTCYCQKJOV-ZFWWWQNUSA-N 312.379 4.907 30 20 DJED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)C1CCC(F)(F)CC1 1308826745 XWGVVYJZTSNBHI-SCLBCKFNSA-N 318.411 4.739 30 20 DJED N#CCc1cccc(NC(=O)C2CCC(c3ccccc3)CC2)c1 1436285408 QQMSASHHTRQBCI-UHFFFAOYSA-N 318.420 4.665 30 20 DJED Cc1ccc([C@@H]2CCC[C@@H]2N(C)c2cccc(F)c2C#N)cc1 1458209656 OWWZZTPGJFULBW-LPHOPBHVSA-N 308.400 4.778 30 20 DJED COc1cccc([C@H](C)SCc2ccc(C#N)cc2F)c1 1458992602 HCRQGBYCQNSGMD-LBPRGKRZSA-N 301.386 4.700 30 20 DJED Cc1cc(C#N)cc(NC(=O)Nc2ccc(C)c(OC(C)C)c2)c1 1466839467 JJPDKHXTEXDVRU-UHFFFAOYSA-N 323.396 4.606 30 20 DJED N#Cc1ccc(C(F)(F)F)nc1SC/C=C\c1ccccc1 1473019099 HOQZCOAZRWAYFR-DAXSKMNVSA-N 320.339 4.778 30 20 DJED COc1cc(C#N)ccc1CN(C)c1ccc(C(C)(C)C)cc1 1473118406 GXRXQVPFGVAZHX-UHFFFAOYSA-N 308.425 4.501 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCc2cc(Cl)ccc2C1 1473377585 ZXTRHLWSMVZMLO-UHFFFAOYSA-N 324.855 4.699 30 20 DJED CCOc1cccc([C@@H](CC)OC(=O)C2(C#N)CCCCC2)c1 1515717668 UFZDKLIZBNGJRK-QGZVFWFLSA-N 315.413 4.554 30 20 DJED CC[C@@H](C)N(CC)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1538841606 OCVLPUXFOCXDGP-OAHLLOKOSA-N 322.408 4.611 30 20 DJED Cc1ccc(C#N)c(N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)n1 1559212834 XBYDTAWBXSHRQK-WMLDXEAASA-N 311.816 4.663 30 20 DJED N#Cc1ccc2c(c1)CCCN2Cc1cc(Cl)ccc1Cl 1643236491 CCLALXXETOAPBE-UHFFFAOYSA-N 317.219 4.818 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1cc(F)cc(Cl)c1 1658402357 FSPPYRJXVINGOF-GFCCVEGCSA-N 302.780 4.544 30 20 DJED CC(C)(C)c1ccc(C(=O)/C=C\c2cccc(C(=O)O)c2)cc1 1776120174 XMQVCJXYLYSUBV-GHXNOFRVSA-N 308.377 4.578 30 20 DJED CC(/C=C/C(=O)c1cc(C(=O)O)ccc1C)=C\c1ccccc1 1776399048 TWQPGLWZDFTNIR-RKZGRAQHSA-N 306.361 4.536 30 20 DJED CC1(C)CCC/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C1=O 1776550928 NBCZRJMJOAIECX-QINSGFPZSA-N 324.376 4.807 30 20 DJED CCCCCCCCCCCN(C)[C@H](C(=O)O)c1cccnc1 1776784590 MAWOEWFBBGJQEI-SFHVURJKSA-N 320.477 4.670 30 20 DJED CC(C)(C)CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 76606566 LYHIHVITPFEJBI-JTQLQIEISA-N 306.818 4.562 30 20 DJED CCOc1ccc(/C=C\C(=O)c2cc3ccccc3o2)cc1OC 111682089 UHDNAMFIFNYBDW-NTMALXAHSA-N 322.360 4.736 30 20 DJED C#CCCCCNC(=O)Nc1c(C(C)C)cccc1C(C)C 134127665 PPVPITWCWBYLHZ-UHFFFAOYSA-N 300.446 4.858 30 20 DJED C=CCCCC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 175217960 RNDHHUSCASDAJK-FQEVSTJZSA-N 305.421 4.517 30 20 DJED C=CCCC[C@@H](C)NC(=O)c1cccc(-c2ccccn2)c1C 179782962 JDIATBIDBPFNQW-OAHLLOKOSA-N 308.425 4.532 30 20 DJED C[C@H](Nc1ccc(F)cc1OCC(F)F)c1cccc(C#N)c1 179855127 DRIOLLKNPBNXOL-NSHDSACASA-N 320.314 4.514 30 20 DJED Cc1cc2cc(CNc3ccccc3O[C@@H](C)C#N)oc2cc1C 181128313 HTEHDRYZHUZWBQ-HNNXBMFYSA-N 320.392 4.953 30 20 DJED Cc1ccsc1/C=C\C(=O)c1ccc(N2CCCCC2)cc1 210429132 BEPLWIOKZJKEAQ-KTKRTIGZSA-N 311.450 4.943 30 20 DJED Cc1cc(C)cc(CSCCCC2(C#N)CCOCC2)c1 280889774 CVCUAYBYVAUYAL-UHFFFAOYSA-N 303.471 4.637 30 20 DJED CCCCCCCC(=O)N1CC=C(c2ccc(F)cc2)CC1 302986131 VFKFWNVYKOIQGM-UHFFFAOYSA-N 303.421 4.802 30 20 DJED CC(C)CCN(CCC#N)Cc1ncc(-c2ccccc2)s1 342740510 MKZGBRJAXAQMNN-UHFFFAOYSA-N 313.470 4.572 30 20 DJED CC(C)c1cc(Br)ccc1N[C@H]1CC[C@H](C#N)C1 442859319 USURBXCROBQIDD-AAEUAGOBSA-N 307.235 4.677 30 20 DJED CC[C@H](NCc1ccccc1OCC(C)C)c1ccc(C#N)cc1 447538029 AKAZHWMLDBHUSX-FQEVSTJZSA-N 322.452 4.834 30 20 DJED N#C[C@@H]1CCC[C@H](NC2(c3cccc(C(F)(F)F)c3)CCC2)C1 447584432 GAIXWPZZCMQNMJ-CJNGLKHVSA-N 322.374 4.757 30 20 DJED CC(C)c1ccc([C@H](C)CC(=O)N[C@](C)(C#N)C(C)(C)C)cc1 464158797 PUFNBRNPUCKLJT-FOIQADDNSA-N 314.473 4.748 30 20 DJED C=CC[C@H](CC)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 467409886 BHBFTCWYMCNCCY-OCCSQVGLSA-N 301.352 4.633 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2csc(C)n2)cc1 467859136 OZRLCWMMRWKEGL-KRWDZBQOSA-N 300.427 4.659 30 20 DJED CCCN(CC)C(=O)c1ccc(Sc2ccccc2C#N)cc1 479507660 XNMFVCCHUFLYEL-UHFFFAOYSA-N 324.449 4.582 30 20 DJED Cc1c(C#N)cccc1C(=O)Nc1ccccc1-c1cccs1 509124583 PYSQXDXFOCGTBX-UHFFFAOYSA-N 318.401 4.848 30 20 DJED CCC[C@H](C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 511630112 RBYHTTCBWDQFEC-AWEZNQCLSA-N 308.381 4.725 30 20 DJED N#Cc1cccc(C2(NCc3cc(Cl)ccc3Cl)CC2)c1 513527785 VJGIHEXGNFITTJ-UHFFFAOYSA-N 317.219 4.644 30 20 DJED CC(C)C[C@@](C)(C#N)NC(=O)c1cccc(Oc2ccccc2)c1 533877737 FXKMVVCTEVCRMV-FQEVSTJZSA-N 322.408 4.537 30 20 DJED C=C[C@H](CC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C)c1ccccc1 533942910 BUDKHWFBVBHXDS-WAOWUJCRSA-N 319.448 4.751 30 20 DJED O=C(CCCC(F)(F)F)Nc1ccc(F)cc1C(F)(F)F 538839584 MPPSLIGWRTZCCL-UHFFFAOYSA-N 317.204 4.516 30 20 DJED Cc1cccc(C)c1[C@H](C)NCc1ccccc1C(C)(C)C#N 546930913 HYUGKFZVJDLKJB-KRWDZBQOSA-N 306.453 4.955 30 20 DJED CCc1ccc(NC(=O)CS[C@H](C)c2ccc(C#N)cc2)cc1 561842397 RLLCVCVSCAVHQB-CQSZACIVSA-N 324.449 4.554 30 20 DJED C[C@@H](N[C@H]1CCc2sc(Cl)cc21)c1ccc(C#N)cc1F 567024884 BZWWDQFZXPCUCP-OTYXRUKQSA-N 320.820 4.750 30 20 DJED N#CC1(CSc2nnc(-c3ccc4ccccc4c3)o2)CCC1 573911972 CEIHTGUWNZYVDL-UHFFFAOYSA-N 321.405 4.676 30 20 DJED CC(C)c1cccc(C[S@](=O)CCCCC(C)(C)C#N)c1 596038990 JPQCGSLEZUOZHC-OAQYLSRUSA-N 305.487 4.779 30 20 DJED C=CCOc1ccc(CNC2(c3ccccc3)CC2)cc1Cl 598036034 OLACMDLTYAUQDJ-UHFFFAOYSA-N 313.828 4.684 30 20 DJED Cc1cccc(Oc2ccc(NC[C@@H](O)CC(C)(C)C#N)cc2)c1 598726262 RFTKLNJENYEROR-KRWDZBQOSA-N 324.424 4.500 30 20 DJED CCCCCCCCC(=O)Nc1cc(Cl)ccc1NC(C)=O 746792156 MAJVDNZIDSGGIH-UHFFFAOYSA-N 324.852 4.988 30 20 DJED Cc1ccc(NC(=S)N[C@@H](CCC#N)c2ccccc2)c(C)c1 747707727 BCMGDYNIPUVUBI-SFHVURJKSA-N 323.465 4.635 30 20 DJED CC(C)c1nc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)co1 752888510 LXQZWMQYYZEXGH-VMPITWQZSA-N 309.287 4.713 30 20 DJED CC[C@H](/N=C/c1c(O)ccc2ccccc12)c1c(C)noc1C 756846297 HTZBDOJRZJCJHX-PBGVMVHZSA-N 308.381 4.720 30 20 DJED CCC(CC)(CC)SCc1nnc(-c2cccc(C#N)c2)o1 762972677 YPQMMEZGRLSEKB-UHFFFAOYSA-N 315.442 4.810 30 20 DJED CCCn1nc(C)c(/C=C2\C(=O)c3cccc4c3[C@H]2CCC4)c1C 763291059 UTQIAHHAWQSBHK-JJBLJPBOSA-N 320.436 4.610 30 20 DJED CC(C)(C#N)CCCCOC(=O)C1(c2ccccc2)CCCC1 768488359 SHIWALRHOWJJRT-UHFFFAOYSA-N 313.441 4.762 30 20 DJED O=C(/C=C/c1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1Cl 774107247 XARRMUGWBIUKIF-SOFGYWHQSA-N 322.147 4.798 30 20 DJED CCCCCCCCC(=O)N[C@H](C)[C@@H]1CCCN(C2CCC2)C1 781198773 FPBNXUHCWOZNRI-QZTJIDSGSA-N 322.537 4.506 30 20 DJED COc1ccc(Cl)cc1C(=O)/C=C/c1ccc2cnccc2c1 782324029 WTAZWZYHSJCNII-ZZXKWVIFSA-N 323.779 4.793 30 20 DJED Cc1cc(C(=O)/C=C/c2scnc2C2CC2)cc(C)c1F 782343446 WBXPFSNIVPLHQI-AATRIKPKSA-N 301.386 4.673 30 20 DJED C=CCC[C@@H](NCc1ccc(N(CC)CC)cc1)c1ccco1 796694231 KGHHPPZOZVDFEG-LJQANCHMSA-N 312.457 4.923 30 20 DJED CCCCCCOCc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 799721645 PFUHPUZIRKBUJY-QFBILLFUSA-N 300.446 4.888 30 20 DJED Clc1ccc(Cl)c(NN=C2CCCC23CCOCC3)c1 799881333 KTBAITQZYSJHPK-UHFFFAOYSA-N 313.228 4.742 30 20 DJED C=CCCOCCCCC(=O)O[C@@H]1CCc2cc(Cl)ccc21 803420438 HGPUEYQUGMHWSY-QGZVFWFLSA-N 322.832 4.634 30 20 DJED CC(C)CN(CCC#N)C(=O)c1coc2ccc(C(C)C)cc12 804313837 YIPWCRRUQDUWDV-UHFFFAOYSA-N 312.413 4.568 30 20 DJED C=CC[C@H](NC/C(C)=C\c1ccccc1COC)c1ccncc1 814293080 DORSOCQKFXKATN-JIHAQRTOSA-N 322.452 4.538 30 20 DJED CC1=C(C)C[C@H](C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)CC1 842786080 YUEPFWAXBOHWKF-ZIAGYGMSSA-N 316.470 4.753 30 20 DJED CC(C)(C)CCCCC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842947121 YKUZLLXXXUNSJK-CYBMUJFWSA-N 304.459 4.803 30 20 DJED N#CC1(CCCCSCC2CCC3(CC2)OCCO3)CCC1 901785679 FVOYMPIPORRELS-UHFFFAOYSA-N 323.502 4.517 30 20 DJED Cc1ccc(C)c(C(=O)/C=C\c2cn3cc(Cl)ccc3n2)c1 920756402 ZLIRPRPIQUNJJQ-SREVYHEPSA-N 310.784 4.501 30 20 DJED N#Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)c(F)c1 1124204276 YRBMEOBFJZSQSS-UHFFFAOYSA-N 316.335 4.617 30 20 DJED C[C@H]1CC(C(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H](C)C1 1124369092 LKSFNAHIQVYDPM-VXGBXAGGSA-N 316.470 4.509 30 20 DJED CC(C)(C)c1cc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c(C#N)s1 1127706697 VGDAJHAPADKUPZ-RWMBFGLXSA-N 316.470 4.682 30 20 DJED C[C@H](SCc1cn2ccccc2c1C#N)c1ccc(F)cc1 1165602914 LDVPCPXNNGOLRR-ZDUSSCGKSA-N 310.397 4.944 30 20 DJED Cc1cc(C)cc(-c2ccc(CNCC3(CC#N)CC3)cc2)c1 1202220123 MXDLMEQFZBMFGK-UHFFFAOYSA-N 304.437 4.754 30 20 DJED CCCc1ccc(C(=O)N(c2ccccc2C#N)C2CCC2)s1 1279122953 ULHXUVTVHAWXRN-UHFFFAOYSA-N 324.449 4.772 30 20 DJED CC1(CNC(=O)Nc2scc(C(C)(C)C)c2C#N)CCCC1 1310783537 OGLHAHDTCJKUOM-UHFFFAOYSA-N 319.474 4.619 30 20 DJED CCCCCCCCC[S@](=O)Cc1nc(C)sc1C 1321016772 APZFGOBRMNRUNZ-IBGZPJMESA-N 301.521 4.759 30 20 DJED CC(C)c1ccc([C@H]2CCCN2c2cccc(CC#N)n2)cc1 1321328613 GMGJPOBMGZMZSG-LJQANCHMSA-N 305.425 4.613 30 20 DJED C=CCn1cnnc1S[C@@H](C)c1ccc(Cl)cc1Cl 1323674712 GNEZIIISEHAMCP-VIFPVBQESA-N 314.241 4.624 30 20 DJED C[C@@H](OC(=O)c1ccc(SC2CC2)cc1)c1cccc(C#N)c1 1457760041 LHDJUMORHDFUIG-CYBMUJFWSA-N 323.417 4.731 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1ccc(Cl)cc1F 1459312016 QBQRUDKFJOXFSX-UHFFFAOYSA-N 316.807 4.763 30 20 DJED Cc1ccc([C@@H](CC(F)(F)F)NCc2cccc(C#N)c2)cc1 1459905014 HXOXNAQAOAXHNC-QGZVFWFLSA-N 318.342 4.650 30 20 DJED CC(C)(C#N)c1ccccc1CN1CC(C)(C)c2ccccc21 1460564937 JEFMIUDKDHKKPL-UHFFFAOYSA-N 304.437 4.786 30 20 DJED CCCCC1CCC(NC(=O)CC2(C#N)CCCCC2)CC1 1526533203 KYYPSKWRPMCFNR-UHFFFAOYSA-N 304.478 4.716 30 20 DJED CC[C@@H](C)c1ccc(C(=O)OCc2ccc(CC#N)cc2)cc1 1535001943 UPQRCXGBOHPNBH-OAHLLOKOSA-N 307.393 4.623 30 20 DJED Cc1oc2ccc(NC(=O)[C@H](CC#N)c3ccccc3)cc2c1C 1537725837 RGTOOQMHDZCTDB-QGZVFWFLSA-N 318.376 4.686 30 20 DJED CCC[C@@H]1CCC[C@H]1C(=O)N(CC)c1ccc(C#N)c(Cl)c1 1544757341 LXFDQZVXVYTYIE-CZUORRHYSA-N 318.848 4.781 30 20 DJED CCc1ccc([C@@H]2CCCN(Cc3cccc(C#N)c3)C2)cc1 1559815187 ZHXQSOCHCWRNLO-OAQYLSRUSA-N 304.437 4.500 30 20 DJED CN(Cc1ccc(C#N)cc1Cl)[C@H]1CCC[C@H]1c1ccccc1 1559899028 SIMDKWQXXNZJMB-ICSRJNTNSA-N 324.855 4.980 30 20 DJED C[C@@H](C(=O)Nc1ccc(Cl)cc1C#N)c1ccc(Cl)cc1 1587283963 YPUBGIVYQLYMQN-SNVBAGLBSA-N 319.191 4.607 30 20 DJED CC(C)(C)[C@@H]1Cc2ccccc2N(Cc2ccc(F)cc2C#N)C1 1644144526 SDDCOXGSEZSWMP-GOSISDBHSA-N 322.427 4.922 30 20 DJED Cc1nsc(NCC(C)(C)Cc2cccc(Cl)c2)c1C#N 1651647818 VEJYLXVNJQDDOE-UHFFFAOYSA-N 319.861 4.657 30 20 DJED CC[C@H](C#N)Sc1nc(C)c(C)n1[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 1651748991 SIZNSUKPUGRGBI-HMDCTGQHSA-N 317.502 4.891 30 20 DJED N#Cc1ccc(SCc2cc(F)ccc2OC(F)F)cc1 1652613639 YGDGDLVZABANGC-UHFFFAOYSA-N 309.312 4.591 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 1652648116 RNZPFHQFPWQQMF-HUHSQHJXSA-N 302.849 4.648 30 20 DJED CC(C)(C#N)CCCN1CC2(CCCC2)c2c(F)cccc21 1653752489 SEJKWKCKQRFLOP-UHFFFAOYSA-N 300.421 4.787 30 20 DJED Cc1cc(N[C@H]2CCC[C@H](C)C2)n2c(nc3ccccc32)c1C#N 1654962795 BEJWTVPPSJPUOB-ZFWWWQNUSA-N 318.424 4.658 30 20 DJED CCCCCCC[C@@H](C)CNc1ccc([N+](=O)[O-])c(C(=O)O)c1 1776782373 MMLGNYJEHJVNDN-CYBMUJFWSA-N 322.405 4.702 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1ccc(C)c(C)c1 1776784338 WNTNXRBDTYVOGP-SFHVURJKSA-N 305.462 4.597 30 20 DJED O=C(O)/C=C\c1ccc(/C=C/C(=O)c2ccc(C3CCC3)cc2)o1 1777624028 KACGAXGWOWYLPD-FAEGWCMCSA-N 322.360 4.541 30 20 DJED C[C@@H](C#N)Oc1ccc(CN[C@@H](c2ccccc2)C2CCC2)cc1 105430584 DZGUJJGTCONCEI-KKSFZXQISA-N 320.436 4.608 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)C/C=C/c2ccc(F)cc2)cc1 175994086 XHWMTYWGKPVUEQ-ONEGZZNKSA-N 322.383 4.669 30 20 DJED CCCCOc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1 181520236 UYJJYPJEYNSGEG-INIZCTEOSA-N 308.425 4.588 30 20 DJED CCCCCCCC(=O)Nc1ccccc1[C@@H](O)C(F)(F)F 272278021 UFDMUCCUSJEQMT-OAHLLOKOSA-N 317.351 4.581 30 20 DJED C[C@@H](Nc1snc(Cl)c1C#N)c1c(F)cccc1Cl 301492515 PLZAVODYAKLFIZ-ZCFIWIBFSA-N 316.188 4.634 30 20 DJED CC(C)(C#N)c1ccc(Nc2nc(C(F)(F)F)cs2)cc1 301722825 KOBWSAHRBPIZOT-UHFFFAOYSA-N 311.332 4.707 30 20 DJED N#Cc1ccc(CC/C(O)=N/[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 329031944 PXYGWQATMVYDJQ-IPMKNSEASA-N 310.441 4.806 30 20 DJED CCCc1ccccc1N/C(O)=N/[C@@H]1CCO[C@@H](CC(C)C)C1 330687272 BTXAOOBPQTWEIB-SJORKVTESA-N 318.461 4.559 30 20 DJED N#CC1(CN[C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCC1 418144721 UZLKSCUQPCWMIO-GOEBONIOSA-N 322.374 4.625 30 20 DJED C=CCCC[C@@H](C)NC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 432369559 WNEXCKVEAMQDRC-AEFFLSMTSA-N 312.457 4.668 30 20 DJED C=CC(C)(C)c1nc([C@H](F)c2ccc(C(F)(F)F)cc2)no1 453183870 OZCVNJQLFRAUJL-LLVKDONJSA-N 314.282 4.611 30 20 DJED C[C@@H]1CCCc2ccccc2[C@H]1NCc1ccc(C#N)cc1F 462535934 CZRNTWYHJUYHMM-VLIAUNLRSA-N 308.400 4.501 30 20 DJED CC#CCCCC(=O)Nc1ccccc1Oc1cccc(F)c1 464440892 XRWVXBZSWHFVQK-UHFFFAOYSA-N 311.356 4.750 30 20 DJED N#Cc1nnc2ccccc2c1S[C@@H]1CCCc2ccccc21 466829095 OQVUEZOJXKKVJD-GOSISDBHSA-N 317.417 4.671 30 20 DJED C=CC[C@H]1N(C(=O)c2ccc(-c3cnco3)cc2)CCCC1(C)C 470279802 VUBPGYXTDATJQI-GOSISDBHSA-N 324.424 4.549 30 20 DJED C[C@@H](CCNc1cccc(C#N)n1)c1cccc(C(F)(F)F)c1 470873289 YSFLDFLJUJTANW-LBPRGKRZSA-N 319.330 4.578 30 20 DJED C=CC1CCN(C(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 476168890 RTDWPZIAUCAFIF-IBGZPJMESA-N 312.457 4.526 30 20 DJED C=CCC[C@H](C(=O)N(CC)Cc1cccs1)c1ccccc1 487541495 PWGYLUMXNZRPTB-SFHVURJKSA-N 313.466 4.847 30 20 DJED CC[C@H](NC[C@H]1CCCCC(F)(F)C1)c1ccc(C#N)cc1 495004898 NAQWUTWDQKQMOV-RDJZCZTQSA-N 306.400 4.815 30 20 DJED CC(C)N(CCCC1(C#N)CCOCC1)c1ccc(Cl)cc1 499533116 PDYCBUAQQZOFNG-UHFFFAOYSA-N 320.864 4.655 30 20 DJED C=CCCO[C@H](C)C(=O)N(c1ccccc1)[C@@H](C)c1ccccc1 502780662 LBISYIXODMBPSA-ZWKOTPCHSA-N 323.436 4.762 30 20 DJED CC[C@@H](C)CCC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 510356966 UZBLPYPETFGWJK-ZWNOBZJWSA-N 313.228 4.501 30 20 DJED C=CCN(Cc1cccs1)C(=O)C[C@@H](C)C1CCCCC1 511142988 CQDAFLOSIXSFFL-OAHLLOKOSA-N 305.487 4.869 30 20 DJED C=CCCCCCN(C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C 533288843 DTTUXNREALCTNM-SFHVURJKSA-N 316.489 4.617 30 20 DJED CC(C)c1ccc(/C=C\CC(=O)N2CCC(CCC#N)CC2)cc1 566739924 IBBGYAYMXDEJDK-HYXAFXHYSA-N 324.468 4.756 30 20 DJED Cc1c(C(=O)N(C)[C@H](C)C(C)(C)C)sc2ccc(C#N)cc12 577452777 HNOXMQDRJWAXAT-GFCCVEGCSA-N 314.454 4.588 30 20 DJED CC(C)c1ccccc1NC(=O)c1cc2ccccc2n1CC#N 609161573 UYQFDYAAHVWKSO-UHFFFAOYSA-N 317.392 4.541 30 20 DJED C=CCN(C(=O)c1ccc(C)c(Oc2ccncc2)c1)C(C)(C)C 622944633 ZVBIUEACNRBSJF-UHFFFAOYSA-N 324.424 4.609 30 20 DJED CCCCCCCCSc1nccn1Cc1ccccn1 733082109 MDJBTROPDYHYKT-UHFFFAOYSA-N 303.475 4.779 30 20 DJED CCC(=NNc1ccc(Cl)c(C(=O)O)c1)C1CCCCC1 750916779 SMZDEOXZZWSPAQ-UHFFFAOYSA-N 308.809 4.796 30 20 DJED Cc1cc(/C=C/C(=O)c2nc3ccccc3s2)cnc1Cl 760264138 QJIBGAHQKZKNEN-VOTSOKGWSA-N 314.797 4.549 30 20 DJED Cn1cc(C(=O)/C=C/c2cnc(C3CCC3)s2)c2ccccc21 760266589 WQQOWHRQOMKIOD-MDZDMXLPSA-N 322.433 4.798 30 20 DJED N#Cc1ccc(CN[C@H]2CCc3cc(Cl)cc(Cl)c32)cc1 760325832 JWYGDBBJCYVIMG-INIZCTEOSA-N 317.219 4.642 30 20 DJED C=CCCCC(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1 762989029 AZMDMJWIPKJYIC-FQEVSTJZSA-N 323.436 4.648 30 20 DJED CC(C)c1ccc2c(c1)[C@@H](NCc1ccc(C#N)cc1)CCCO2 768507981 JRQZGIXEOUCAMP-FQEVSTJZSA-N 320.436 4.685 30 20 DJED Cc1ccc(C)c2c1CC/C(=C\c1nc(Cl)cs1)C2=O 769746866 OIPZKYSLRDSRRO-YRNVUSSQSA-N 303.814 4.626 30 20 DJED CC[C@@H](NCc1ccc(N(CC)CC)cc1)c1ccc(C#N)cc1 774132440 UUDALOSKJWNTQR-OAQYLSRUSA-N 321.468 4.645 30 20 DJED Cc1cc(OC(C)C)ccc1N[C@@H](C)c1ccc(C#N)c(F)c1 776765533 COURTZJHVIOFAZ-AWEZNQCLSA-N 312.388 4.966 30 20 DJED CC/C(C)=C(/C)C(=O)Nc1ccccc1S[C@H](C)CC#N 779932268 ZBBMCHPVLCZMEL-NXXVSJRMSA-N 302.443 4.766 30 20 DJED O=C1/C(=C\c2cc(Cl)cs2)CCOc2cc(F)ccc21 782353072 YEEGMBFHAZRSEJ-UITAMQMPSA-N 308.761 4.589 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1cc2c(F)cccc2s1 787945976 YIOZALFWTSVJIY-UHFFFAOYSA-N 318.417 4.585 30 20 DJED C#CC[C@@H](N[C@H]1CC(C)(C)c2cc(OC)ccc21)c1ccccc1 788982915 GGMARWDYVHRUEH-RTWAWAEBSA-N 319.448 4.772 30 20 DJED CCCCOc1ccc(C(=O)/C=C/c2cnn(C(C)C)c2)cc1 789156595 CKKXXTFCGAHHES-IZZDOVSWSA-N 312.413 4.539 30 20 DJED CC(=NO[C@H](C)c1ccc(C#N)cc1)c1cc2ccccc2o1 794712739 CSECKRSFAJXLBQ-CQSZACIVSA-N 304.349 4.806 30 20 DJED C/C(C=NOCc1cccnc1)=C/c1ccccc1C(F)(F)F 799884400 DEVGPLYIGAFXJH-JDTOZCFASA-N 320.314 4.706 30 20 DJED O=C(/C=C\c1c[nH]c(C(F)(F)F)c1)c1ccc(Cl)s1 806564366 AFNWBVOCNDBBAT-UPHRSURJSA-N 305.708 4.645 30 20 DJED CC(C)(C#N)CCCOC(=O)c1cc(Cl)c(F)cc1Cl 815503673 XEJARBXGZYCNKT-UHFFFAOYSA-N 318.175 4.619 30 20 DJED CC(C)(CC#N)CNC(=O)Nc1ccc(SC(C)(C)C)cc1 838907194 TZVJHAPPHZUGKD-UHFFFAOYSA-N 319.474 4.639 30 20 DJED N#CC1(CCCCSc2ncnc3sccc23)CCC1 901387643 OJPUTDYOJLIJRB-UHFFFAOYSA-N 303.456 4.648 30 20 DJED CCOc1ccc(/C=C\C(=O)c2cc3cccc(OC)c3o2)cc1 916130419 UHJBRFZFHSVBNF-XFXZXTDPSA-N 322.360 4.736 30 20 DJED Cc1ccc(C=NNc2ncc(C(F)(F)F)cc2Cl)s1 916286552 KEQZAARVYDGNTN-UHFFFAOYSA-N 319.739 4.570 30 20 DJED C=C(C)CNc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 917826901 VAWYLLDAEMICGH-UHFFFAOYSA-N 320.864 4.733 30 20 DJED Cc1cc(F)c2c(c1)CCCN2Cc1ccccc1C(C)(C)C#N 1191723256 OVTAKXYGOBQHCJ-UHFFFAOYSA-N 322.427 4.888 30 20 DJED CCc1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)cc1CC 1351844774 YHBUVJODGALZNY-UHFFFAOYSA-N 312.800 4.589 30 20 DJED C[C@]1(CCc2ccccc2)CCN(Cc2cccc(C#N)c2F)C1 1459627709 YHOZOHLOGPSSLC-NRFANRHFSA-N 322.427 4.542 30 20 DJED N#Cc1ccccc1SCCc1ccccc1Br 1472989823 FTXJJVMIRHTSLH-UHFFFAOYSA-N 318.239 4.656 30 20 DJED CCN(C[C@H](C)c1ccc(OC)cc1)[C@@H](C)c1ccc(C#N)cc1 1473117903 QWXVPAQHFBTIRF-IRXDYDNUSA-N 322.452 4.753 30 20 DJED N#CCC1(CN[C@@H](c2cccc(Cl)c2)C2CCCC2)CC1 1473326561 GHAQQAKKUJTYIM-QGZVFWFLSA-N 302.849 4.855 30 20 DJED N#Cc1ccc(F)c(C(=O)Nc2cccc(-c3cccs3)c2)c1 1519986905 RIMFMJPGOKRVNB-UHFFFAOYSA-N 322.364 4.678 30 20 DJED Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CC2(C#N)CCCCC2)C1 1538838046 YFBTVIRUBGYPOA-MSOLQXFVSA-N 324.468 4.564 30 20 DJED Cc1cc(C#N)ccc1CN1CCCCc2c(Cl)cccc21 1617064200 SJKAFTYPKYZCOL-UHFFFAOYSA-N 310.828 4.863 30 20 DJED CSC1CC(N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 1621246661 WNSHSOVGNXITDQ-WPUWVODUSA-N 322.477 4.770 30 20 DJED N#Cc1cnccc1Oc1cnc2c(Cl)c(Cl)ccc2c1 1642888536 MODNPQBLHDAFPD-UHFFFAOYSA-N 316.147 4.601 30 20 DJED CC(C)(C)Oc1cccc(CSc2cccc(F)c2C#N)n1 1643959150 RNGXJLKQDDDVKF-UHFFFAOYSA-N 316.401 4.562 30 20 DJED N#Cc1cc(F)ccc1CN1CC2(CCCC2)c2c(F)cccc21 1644922357 UBGLEDGVVQAODK-UHFFFAOYSA-N 324.374 4.668 30 20 DJED CN(Cc1ccc(C(C)(C)C)cc1)c1nc(Cl)c(C#N)s1 1651291842 WPGDHHIZGTYCIR-UHFFFAOYSA-N 319.861 4.602 30 20 DJED CCCC[C@@H](CC)CNc1nccc(Oc2cccc(C#N)c2)n1 1651350876 XVWDMEYDQNGBDR-OAHLLOKOSA-N 324.428 4.769 30 20 DJED CC(C)(C)Oc1cccc(CN[C@@H]2CCc3cc(C#N)ccc32)c1 1656186159 BUKTYJFEEXEHJC-HXUWFJFHSA-N 320.436 4.513 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1nsc2ccccc12 1656654840 MAJKXNQNNHORIZ-UHFFFAOYSA-N 314.797 4.709 30 20 DJED CN(Cc1ccc(C#N)cc1Cl)c1ccc(F)c(Cl)c1 1658023329 INOHCVOSQATCTL-UHFFFAOYSA-N 309.171 4.641 30 20 DJED Cc1cc(C#N)cc(N[C@H](C)Cc2ccc3c(c2)CCCC3)c1 1658340038 HFRUZAHDYHLSTF-MRXNPFEDSA-N 304.437 4.789 30 20 DJED CSc1ccccc1CN(C)Cc1ccc(Cl)cc1C#N 1658492883 QCSANEVCDGQWGE-UHFFFAOYSA-N 316.857 4.566 30 20 DJED CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1 7714220 NNOAQOVPAYMTRO-AWNIVKPZSA-N 307.393 4.665 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1cc(CC)c(C)s1 60678141 GVIJMAPQKTVFID-UHFFFAOYSA-N 305.468 4.509 30 20 DJED N#Cc1cc(Cl)ccc1NCc1ccc(C(F)(F)F)cc1 61627126 FZPVGULRINWEFP-UHFFFAOYSA-N 310.706 4.843 30 20 DJED C=CCN(CCc1ccccc1)C(=O)Nc1ccccc1CC 62375660 XMMVYWSTQFRINO-UHFFFAOYSA-N 308.425 4.512 30 20 DJED CC(C)CCN(CCC#N)C(=O)Nc1ccccc1C(C)C 78449990 AQPBNLMZZPXKML-UHFFFAOYSA-N 301.434 4.604 30 20 DJED CCCC(=O)Nc1cccc(N[C@@H](C#N)C2CCCCC2)c1C 115606145 IHZAPMMMCKBHKY-SFHVURJKSA-N 313.445 4.618 30 20 DJED C[C@H](C#N)CSc1ccccc1N[C@@H](C#N)C1CCCCC1 115606240 DGOLDPGAWFQULW-PBHICJAKSA-N 313.470 4.823 30 20 DJED C[C@@H](NCc1cccc(C#N)c1)c1cccc(Cl)c1Cl 117951229 CWMKFEXBMOGJEY-LLVKDONJSA-N 305.208 4.716 30 20 DJED C[C@H](NCCCC(C)(C)C#N)c1cccc(OC(F)(F)F)c1 181896857 NWGXCARWNGFKFT-LBPRGKRZSA-N 314.351 4.566 30 20 DJED N#Cc1nc(N2CCC[C@@H]2c2ccccc2Cl)ccc1Cl 301531204 LBZMWWIMBCWPAX-OAHLLOKOSA-N 318.207 4.602 30 20 DJED C[C@H](Nc1cccc(OC(F)(F)F)c1)c1ccc(C#N)cc1 314202726 QHLSTHRNEXSLDU-NSHDSACASA-N 306.287 4.630 30 20 DJED C[C@@H](Nc1ccc(OCC#N)cc1)c1ccc2ccccc2c1O 324117945 GGMRMXIRANMGKN-CQSZACIVSA-N 318.376 4.621 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCCc2sccc21 344135222 PNZDBLLQOFFDEM-MSOLQXFVSA-N 308.450 4.664 30 20 DJED CC(C)[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 424333472 UIDHARHBOCLVDA-MAZHCROVSA-N 310.363 4.684 30 20 DJED CC[C@@H](Cc1ccc(Cl)cc1Cl)NCC1(CC#N)CC1 430747548 XVQFTBAMXRWNRJ-AWEZNQCLSA-N 311.256 4.598 30 20 DJED CC(C)c1cc(Br)ccc1N[C@@H]1CC[C@H](C#N)C1 442859321 USURBXCROBQIDD-WCQYABFASA-N 307.235 4.677 30 20 DJED CC[C@H](NCc1nc(C(C)C)c(C)s1)c1ccc(C#N)cc1 447529542 LSRJMDUHOXGSSB-INIZCTEOSA-N 313.470 4.688 30 20 DJED N#CCCCCN[C@@H](Cc1ccccc1Cl)c1ccsc1 453107489 LGPZHEBTWSOXRM-KRWDZBQOSA-N 318.873 4.969 30 20 DJED N#Cc1cccc(Cl)c1NCc1ccccc1Br 462388885 QDZMNTFQBARZOY-UHFFFAOYSA-N 321.605 4.586 30 20 DJED CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 476078997 IVBYCGKZLPQUTH-QAPCUYQASA-N 312.457 4.529 30 20 DJED CCC[C@H](C)[C@H]1CCCN1C(=O)C[C@H](CC#N)c1ccccc1 476376994 SBNLKCWGIXCDCB-YTQUADARSA-N 312.457 4.501 30 20 DJED C=CCCCC(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12 481754515 ZOBPEWDUHVJPBY-UHFFFAOYSA-N 319.408 4.605 30 20 DJED C=CCC(CC=C)C(=O)Nc1cc2sc(C)nc2cc1Cl 484669942 HYZRRIKLLRKXTK-UHFFFAOYSA-N 320.845 4.965 30 20 DJED C=CCC[C@H](C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1)c1ccccc1 488317825 WFXOEVFGGULAOC-ZCNNSNEGSA-N 323.411 4.548 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1ccccc1OC1CCCC1 488339029 WMIWYAZIPDYJFT-OAHLLOKOSA-N 314.429 4.580 30 20 DJED C=CCCCCCN(C)C(=O)c1ccc(Cl)c2ncccc12 509963400 KCHZFBNYMVEINM-UHFFFAOYSA-N 316.832 4.707 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCC[C@H](C)C1 525521274 PQNUXEHOMINSSQ-QWHCGFSZSA-N 311.878 4.742 30 20 DJED C=CCCC[C@H](C)NC(=O)Nc1cnn([C@H](C)CC)c1C1CC1 538325348 TYMRIIGPAYJTDX-UONOGXRCSA-N 318.465 4.598 30 20 DJED C=CCC(C)(C)CN[C@@H](C)c1sc(-c2cccnc2)nc1C 565437553 YSOSBSTXHHFZIO-ZDUSSCGKSA-N 315.486 4.766 30 20 DJED C[C@@H](Nc1ccc(NC[C@@H](C#N)CCC#N)cc1)c1ccccc1 566124437 HHOWOSPTWMOEBV-IAGOWNOFSA-N 318.424 4.715 30 20 DJED N#C[C@H](N[C@@H]1CCSc2ccc(Cl)cc21)C1CCCCC1 570001267 VDSWEMDIISCTDW-CVEARBPZSA-N 320.889 4.939 30 20 DJED C=CCC(C)(C)c1noc([C@H](C)Oc2cnc3ccccc3c2)n1 570112137 JKZQCJLTORLGPP-ZDUSSCGKSA-N 323.396 4.612 30 20 DJED Cc1csc([C@H](C#N)C(=O)c2ccc(C3=CCCC3)cc2)n1 579298166 MBXXUJFVOXJRSL-MRXNPFEDSA-N 308.406 4.509 30 20 DJED Cc1ccccc1CN(CCCC(C)(C)C#N)Cc1ccccn1 580316946 HMWGATPODSOETM-UHFFFAOYSA-N 321.468 4.722 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1cccc(OCc2cccc(C)c2)c1 604907561 ZJUTYYVZWYWEQN-MRXNPFEDSA-N 324.424 4.660 30 20 DJED CC[C@H](CC(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1)C(C)C 609166442 BYAZRWLERMVIFZ-DOTOQJQBSA-N 300.446 4.540 30 20 DJED CCC[C@H](Nc1nc(C(F)(F)F)ccc1C#N)c1ccccc1 609669459 PVLHIPWFVTXQJP-AWEZNQCLSA-N 319.330 4.925 30 20 DJED CCN(C[C@H]1CCOc2ccccc21)[C@H](C)c1ccc(C#N)cc1 611256354 VORACHFOJZFLDU-VQIMIIECSA-N 320.436 4.507 30 20 DJED Cc1ncsc1CNc1cccc(C#Cc2cccs2)c1 685904227 VASORGVGULTEKQ-UHFFFAOYSA-N 310.447 4.525 30 20 DJED CC(C)c1ccc2c(Cl)c(C(=O)NC(C)(C)C#N)sc2c1 732658886 MFPGFUPYUXLMRI-UHFFFAOYSA-N 320.845 4.710 30 20 DJED COc1cccc(/C=C/C(=O)c2cccc(-c3ccncc3)c2)c1 741473938 VGNJDTQFZQMBGT-CMDGGOBGSA-N 315.372 4.653 30 20 DJED Cc1cccc(F)c1CNc1ccc(C#N)c(C(F)(F)F)c1 742421071 JOFQAFJGIYORKU-UHFFFAOYSA-N 308.278 4.637 30 20 DJED CCCCC[C@H](C)CC(=O)N(Cc1ccc(C#N)cc1)C(C)C 742593955 VDMXAJVPTGRVHL-KRWDZBQOSA-N 314.473 4.902 30 20 DJED C=CCCCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 748295167 IYLPKFIKGQWBDE-IBGZPJMESA-N 304.393 4.637 30 20 DJED O=C(/C=C/c1cccc2nccn12)c1cc2cc(Cl)ccc2o1 771285246 HJGFDEFPZCKZSH-AATRIKPKSA-N 322.751 4.630 30 20 DJED CC[C@H](Nc1ccc(N2CCCC2)cc1)c1ccc(C#N)cc1 774271808 LUELRXZZIFNIKS-FQEVSTJZSA-N 305.425 4.722 30 20 DJED Clc1cnc(CON=Cc2cccc(Cl)c2Cl)s1 774726376 VZMKWPATQBDUBI-UHFFFAOYSA-N 321.616 4.654 30 20 DJED C=CCC[C@H](C(=O)OCc1nc(C)c(C)s1)c1ccccc1 778555548 XGDKCJIFMPTFJM-INIZCTEOSA-N 315.438 4.553 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1ccc2cnccc2c1 782325452 CBSRPACWHOUEGF-SOFGYWHQSA-N 319.408 4.525 30 20 DJED CC[C@@H]1CCCC[C@H]1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 796627449 AXODFMICLJSGJC-OIISXLGYSA-N 306.409 4.627 30 20 DJED O=[N+]([O-])c1ccc(NN=C2CCC[C@H]2CCCF)c(Cl)c1 800811811 KEUWJIYUEMEHFI-JTQLQIEISA-N 313.760 4.566 30 20 DJED N#CC1(CSc2nnc(-c3ccccc3Cl)o2)CCCC1 806589916 SEMNOUTZANWQSB-UHFFFAOYSA-N 319.817 4.566 30 20 DJED FC(F)(F)CCNN=C1CC[C@H](c2cccc(Cl)c2)C1 841637386 VEYHWLCAXAFWRT-NSHDSACASA-N 304.743 4.506 30 20 DJED N#CC1(CSCc2ccc(Cl)nc2C(F)(F)F)CCC1 842193086 DBWHVSRWWMSYLC-UHFFFAOYSA-N 320.767 4.681 30 20 DJED CC1=C(C)C[C@H](C(=O)[C@@H](C#N)c2ccc3ccccc3n2)CC1 842682283 TZKVXGCJGRFKFQ-SJORKVTESA-N 304.393 4.548 30 20 DJED C=CCN(Cc1ccccc1)C(=O)/C=C/c1ccc(Cl)s1 914610991 VUAYPSQASHDFIF-PKNBQFBNSA-N 317.841 4.630 30 20 DJED CCC(=NNc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 916581460 BHMZMZIBVYXRAX-UHFFFAOYSA-N 318.804 4.583 30 20 DJED Cc1nc(-c2ccccc2)[nH]c1C(=O)/C=C/c1ccc(F)c(F)c1 917146236 WMXQQJGUSHFDQW-CSKARUKUSA-N 324.330 4.559 30 20 DJED CCCOc1ccc2c(c1)C(=O)/C(=C/c1sccc1C)CO2 920069219 JQEQRBUPBLMNRH-UKTHLTGXSA-N 314.406 4.504 30 20 DJED Cc1ccc(-c2n[nH]cc2/C=C2\Cc3cc(C)ccc3C2=O)cc1 921263243 AHFCSNMNAOPXMI-GZTJUZNOSA-N 314.388 4.516 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2csc3cc(C)ccc23)c1 1129808925 HLNYABPHXPYFEQ-UHFFFAOYSA-N 306.390 4.642 30 20 DJED CCCC[C@@H](CC)CCCN(C)C(=O)c1ccc(CC#N)cc1 1131219953 FGHLLKQNZCHXQF-QGZVFWFLSA-N 314.473 4.821 30 20 DJED N#Cc1cccc(Br)c1N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 1162510718 RQKAUAWGNVNGPN-OUCADQQQSA-N 319.246 4.701 30 20 DJED CC[C@@H](Sc1nc2c(c(C)c1C#N)CCC2)c1ccccc1 1165282605 SSEWCAOARLHXPI-GOSISDBHSA-N 308.450 4.994 30 20 DJED N#C[C@@H](c1ccccc1)N1CCC[C@H](c2ccc(F)cc2)CC1 1168437619 LQERYQBXVOYKPL-JXFKEZNVSA-N 308.400 4.660 30 20 DJED CCCCC1CCC(NC(=O)Nc2scc(C)c2C#N)CC1 1204888863 LBNQCAAJKILBMM-UHFFFAOYSA-N 319.474 4.799 30 20 DJED C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc2ccsc12 1357343353 WADOGOUMZHLRLA-ZDUSSCGKSA-N 320.417 4.590 30 20 DJED N#Cc1cc(Cl)cc(OC/C=C/c2ccc(Cl)cc2)c1 1459125051 ISYIRYKPWNSDBS-OWOJBTEDSA-N 304.176 4.957 30 20 DJED COc1ccc(CSc2cccc(F)c2C#N)cc1Cl 1559184854 WZSDFLGICJBNPU-UHFFFAOYSA-N 307.777 4.652 30 20 DJED CC(C)CCN(CCC#N)Cc1ccc(F)c(C(F)(F)F)c1 1651830707 FKFXIGRYMJATLI-UHFFFAOYSA-N 316.342 4.606 30 20 DJED Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(C#N)c(C)c2)cc1C 1652058806 VFSFYECOAQLENM-OAHLLOKOSA-N 324.449 4.603 30 20 DJED CC[C@@H]1CN(Cc2cccc(C#N)c2F)CC[C@@H]1c1ccccc1 1652659593 WEYKXENWSSZSRE-UZLBHIALSA-N 322.427 4.713 30 20 DJED CCCN(Cc1ccc(C#N)cc1)[C@H]1CCCc2ccc(F)cc21 1656984507 JQAAHTIXTNKGHW-NRFANRHFSA-N 322.427 4.987 30 20 DJED CC1(C#N)CCC(NCC(C)(C)c2cccc(Cl)c2F)CC1 1657222432 JIRXRGVCEGWDFM-UHFFFAOYSA-N 322.855 4.819 30 20 DJED Cc1cccc([C@H]2CCCN2CCc2ccc(C#N)cc2)c1C 1657380612 IFMOSJYWAGQSHC-OAQYLSRUSA-N 304.437 4.555 30 20 DJED O=C(O)c1cc(NN=C2CCC(=C3CCC3)CC2)ccc1Cl 1776034131 OUDCVYKEHACYIA-UHFFFAOYSA-N 318.804 4.861 30 20 DJED N#Cc1ccccc1CSCc1cc(-c2ccc(F)cc2)no1 30523923 NWABAVJQAJEIEL-UHFFFAOYSA-N 324.380 4.786 30 20 DJED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1cc(F)ccc1F 90665588 QHUWTLOZQHLLTE-FZKQIMNGSA-N 300.352 4.660 30 20 DJED C[C@@H](NC[C@H](C#N)CCC#N)c1ccccc1Oc1ccccc1 112540702 IPKPULJDEPAKBU-SJORKVTESA-N 319.408 4.573 30 20 DJED CCCCCCCC(=O)O[C@H](c1ccccn1)C(F)(F)F 160381040 FLWKYQNJDACFAV-CQSZACIVSA-N 303.324 4.589 30 20 DJED CCCCCCCCC(=O)Nc1cccc(-c2nnc(C)o2)c1 174364749 CEKKEMXEKGUVOT-UHFFFAOYSA-N 315.417 4.734 30 20 DJED C=C[C@@H](CC(=O)N(C1CC1)[C@@H](C)c1ccco1)c1ccccc1 179077323 HFYPWQWQHIQQLC-HOTGVXAUSA-N 309.409 4.692 30 20 DJED Cc1ccc(C#N)cc1NC(=O)Nc1cc(C(C)C)c(O)cc1C 189877507 KSMLNHCZPPZSOH-UHFFFAOYSA-N 323.396 4.648 30 20 DJED CC1(CNc2ccc(C#N)c(Br)c2)CCCCC1 233048138 FFVSDXNXMGUYGG-UHFFFAOYSA-N 307.235 4.703 30 20 DJED N#CCCCOc1cccc(N[C@@H](c2cccnc2)C2CCC2)c1 280750416 DSGGCZANTYATHD-HXUWFJFHSA-N 321.424 4.717 30 20 DJED CCOc1ccc2nc(S[C@@H](C)c3ccc(C#N)cc3)[nH]c2c1 303736158 XECNSIFIIZWNBP-LBPRGKRZSA-N 323.421 4.687 30 20 DJED CCC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 325117267 ORYMBIHQLOLIFT-AUUYWEPGSA-N 323.396 4.658 30 20 DJED C[C@@H]1CC[C@@H](CC(O)=Nc2csc(-c3ccncc3)n2)C1 328742469 JMKBXJRCWWFWGS-VXGBXAGGSA-N 301.415 4.619 30 20 DJED CCO[C@H](C)c1ncc(/C(O)=N/[C@@H]2CCC[C@H](C(C)C)C2)s1 330912612 GTGVBYQXVVMRNP-HZSPNIEDSA-N 324.490 4.760 30 20 DJED Cc1nc(C)c([C@@H](C)N(C)CCC2(C#N)CCCCC2)s1 411275601 LMMPNCMISOGCFI-CQSZACIVSA-N 305.491 4.617 30 20 DJED C[C@@H](NCC(C)(C)CC#N)c1ccc(SCC(F)F)cc1 414166590 NVIASSGPYRYZPG-GFCCVEGCSA-N 312.429 4.634 30 20 DJED N#Cc1c(F)cccc1CNc1ccc2c3c(cccc13)CC2 427398439 JTWVBYVAGJGBLK-UHFFFAOYSA-N 302.352 4.561 30 20 DJED CC#CCCCC(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 466657481 MJEHBHUIGUXSBT-KBZZJAQTSA-N 309.453 4.665 30 20 DJED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 474079178 KTORYLNFFUXTDZ-UHFFFAOYSA-N 316.763 4.533 30 20 DJED C=CCCC1(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1 476653753 FZLRZVUFHGCJAY-UHFFFAOYSA-N 315.747 4.626 30 20 DJED C=C(C)CN1CCC(N[C@@H](C)c2ccc(-c3ccccc3)o2)CC1 482628659 JRKRZOZLCOUJQI-KRWDZBQOSA-N 324.468 4.638 30 20 DJED Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1cccc(CC#N)c1 485571484 AXONXUHHJMYMPL-HXUWFJFHSA-N 320.436 4.578 30 20 DJED Cc1nc(COc2cccc(C#N)c2)oc1-c1ccc(Cl)cc1 489457956 ALUIOTXCPBSQCG-UHFFFAOYSA-N 324.767 4.754 30 20 DJED CCCCc1nc(CSc2ccc(C#N)cc2F)cs1 525115420 RLMHAHPJBSVGOU-UHFFFAOYSA-N 306.431 4.789 30 20 DJED Cc1nc(C)c(C#N)c(SCc2cc(Cl)ccc2Cl)n1 525625095 QCKNHLADEDROEY-UHFFFAOYSA-N 324.236 4.564 30 20 DJED N#Cc1cc(CN[C@H](c2ccccc2)C2CCCC2)ccc1F 533063808 WDHSTDOZRHJGFF-HXUWFJFHSA-N 308.400 4.718 30 20 DJED C[C@@H](N[C@@H]1CCCc2ccc(Cl)cc21)c1ccc(C#N)cc1 534235536 OFAWVNKDLPQINX-BFUOFWGJSA-N 310.828 4.940 30 20 DJED Cc1nc(-c2ccc(OCc3ccc(CC#N)cc3)cc2)cs1 541289050 CBMWYSCUBKSFPU-UHFFFAOYSA-N 320.417 4.764 30 20 DJED CSc1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)cc1 555720628 OIFVGBXBILKKKL-UHFFFAOYSA-N 310.466 4.691 30 20 DJED Cc1ccc2c(C3=CCN(c4ccc(C#N)cc4)CC3)c[nH]c2c1 603867812 AGVONDZWXDNISC-UHFFFAOYSA-N 313.404 4.642 30 20 DJED C=C(C)CN(CC)C(=O)Nc1cccc(Cl)c1OC(C)C 605346818 DZVPXPSWKNHOJZ-UHFFFAOYSA-N 310.825 4.557 30 20 DJED N#C[C@H]1CCC[C@@H](NCCc2ccc(-c3ccccc3)cc2)C1 613255428 BJXLQPGFAJIDFF-GHTZIAJQSA-N 304.437 4.568 30 20 DJED Cc1cccc([C@@H](NCc2ccc(C#N)cc2C)C(F)(F)F)c1 614406855 CEWUATGTMNYSKT-QGZVFWFLSA-N 318.342 4.568 30 20 DJED Cc1cc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc(C)c1F 618807367 UDLGEWNUDYXHTP-KUHUBIRLSA-N 308.400 4.652 30 20 DJED C=CCN(CC=C)C(=O)Nc1ccc2c(c1)oc1ccccc12 642677302 GNGNRGLOGGOMKU-UHFFFAOYSA-N 306.365 4.792 30 20 DJED O=C1/C(=C/c2ccc(C(F)(F)F)cc2)CCc2sccc21 726894413 ZEEDSADNGSRZBU-PKNBQFBNSA-N 308.324 4.979 30 20 DJED COCc1ccc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)cc1 741840556 YVQLSVHONBBXPJ-MDZDMXLPSA-N 320.310 4.748 30 20 DJED C[C@@H]1Sc2sccc2C(=O)/C1=C/c1cc(F)ccc1F 742436048 FNBMFTOMGVPNEA-OTIXFSKASA-N 308.374 4.787 30 20 DJED Cc1ccc(-c2nc(/C=C/C(=O)c3cccc(F)c3)co2)cc1 748439729 CBPDHFVWVALKHN-MDZDMXLPSA-N 307.324 4.685 30 20 DJED N#CCCCOC(=O)c1ccc(Oc2cccc(Cl)c2)cc1 750238677 NCTFSHFMMQOQGJ-UHFFFAOYSA-N 315.756 4.593 30 20 DJED C=CCCCOC(=O)CCC(=O)c1cc(Cl)sc1Cl 756294231 AJPZUFKUGNKQJE-UHFFFAOYSA-N 321.225 4.527 30 20 DJED O=C(/C=C/c1ccc(Cl)nc1Cl)c1cc(F)cc(F)c1 761480625 RHAZSAQVYJKHEN-HNQUOIGGSA-N 314.118 4.563 30 20 DJED COc1ccsc1C(=O)/C=C\c1cc(C)c2ncccc2c1 769747306 VQQJBYCFMIMLBA-WAYWQWQTSA-N 309.390 4.509 30 20 DJED Cc1ccncc1CCC=NNc1ccc(Cl)cc1Cl 776723908 NPUMHMRUYMAMHM-UHFFFAOYSA-N 308.212 4.727 30 20 DJED C=CCC[C@H](C(=O)OCc1ccc2c(c1)COC2)c1ccccc1 777742763 MJSZYAJPXBJVDG-FQEVSTJZSA-N 322.404 4.510 30 20 DJED C#CCC1(C(=O)Nc2ccc(N3CCCC3)cc2C)CCCCC1 788431667 WAGQOBCLQGXARZ-UHFFFAOYSA-N 324.468 4.508 30 20 DJED Cc1cccnc1[C@@H]1CCCC(=NNCCCc2ccccc2)C1 799112351 PHDAIWQHELHNHG-LJQANCHMSA-N 321.468 4.626 30 20 DJED CCCCCC[C@H](C)C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842941917 ULDROLJIGIIVJU-JSGCOSHPSA-N 304.459 4.803 30 20 DJED Cc1n[nH]c(C)c1/C=C/C(=O)c1cc2c(ccc3ccccc32)o1 915986203 ZOTFCBJYFFZZMX-CMDGGOBGSA-N 316.360 4.822 30 20 DJED CCN(C[C@@H]1C[C@H]1c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 1180194576 HJHXGHGZYUXPQN-NDXORKPFSA-N 304.437 4.745 30 20 DJED C[C@]1(c2ccccc2)CC[C@@H](N[C@@H]2CCc3cc(C#N)ccc32)C1 1181435401 COKICXZEMYZHAZ-FCEUIQTBSA-N 316.448 4.646 30 20 DJED C=CCCO[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 1257901886 JPPGAWJKVDGPMM-SECBINFHSA-N 313.184 4.697 30 20 DJED CN(C(=O)Nc1cccc(C#N)c1)c1ccc(C(C)(C)C)cc1 1310077220 XTSTWXLTUPDBSV-UHFFFAOYSA-N 307.397 4.524 30 20 DJED CC(C)[C@H](C#N)C=NNc1c(Cl)cc(Cl)cc1Cl 1319380819 MMILRRVMOOILBJ-MRVPVSSYSA-N 304.608 4.840 30 20 DJED C=CCC(CC=C)c1nnc([C@H](C)Oc2ccccc2F)o1 1322708466 FLMYACNPMNHTTC-LBPRGKRZSA-N 302.349 4.585 30 20 DJED N#Cc1c(NC(=O)CC2CCCCC2)sc2c1CCCCC2 1354316145 RCMMEDHGBFSPRZ-UHFFFAOYSA-N 316.470 4.798 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)Nc1cc(C#N)ccc1NC 1448356298 LGBIFWWHTZFPNI-MRXNPFEDSA-N 313.445 4.535 30 20 DJED Cc1nc(NC[C@H]2CCCC[C@H]2c2ccccc2)ccc1C#N 1458384747 QGCRTTITTFUTIK-MOPGFXCFSA-N 305.425 4.648 30 20 DJED Cc1ccc([C@H]2[C@@H](C)CCCN2CCc2ccc(C#N)cc2)cc1 1459654978 YRKPXZYJXSAFAE-PGRDOPGGSA-N 318.464 4.882 30 20 DJED C[C@H](NCc1ccc(C#N)cc1OC(F)F)C1CCCCCC1 1459923657 NCYPLYXWUFCTOC-ZDUSSCGKSA-N 322.399 4.608 30 20 DJED C[C@H]1CCc2sc(NC(=O)C3(F)CCCC3)c(C#N)c2[C@@H]1C 1534584485 SMMPBFUMTJTXPQ-WDEREUQCSA-N 320.433 4.526 30 20 DJED Cc1c(C#N)cccc1NC(=O)C[C@@H](c1ccccc1)C(C)C 1544115286 YFDGABYCEAVGQS-GOSISDBHSA-N 306.409 4.635 30 20 DJED Cc1cc(C#N)ccc1CN(C)Cc1cc(Cl)cc(Cl)c1 1559487024 OKKFXBNERZNPEB-UHFFFAOYSA-N 319.235 4.806 30 20 DJED Cc1ccc(Oc2ccc(Nc3cccc(C#N)n3)cc2)cc1 1611879130 DREQFEIJDKGVDU-UHFFFAOYSA-N 301.349 4.798 30 20 DJED N#Cc1ccc(CSc2ccccc2F)c(OC(F)F)c1 1640816379 NVDLMCQOOHDABG-UHFFFAOYSA-N 309.312 4.591 30 20 DJED Cc1cc(OCc2nc(-c3ccccc3)cs2)ccc1C#N 1641098479 IMHMMFZCRKEWJV-UHFFFAOYSA-N 306.390 4.569 30 20 DJED Cc1ccc(C)c(Oc2nccc(Oc3cccc(C#N)c3)n2)c1 1649212290 OBOBPYQADUZIOA-UHFFFAOYSA-N 317.348 4.550 30 20 DJED CCOc1ccc(Oc2c(C#N)cnc3c(Cl)cccc23)cc1 1651290958 DEUYBNFTJCUJDF-UHFFFAOYSA-N 324.767 4.951 30 20 DJED C[C@H](CCc1ccccc1)Nc1nc(C(C)(C)C)ccc1C#N 1651303503 TWLAZCNDMWFTTJ-OAHLLOKOSA-N 307.441 4.684 30 20 DJED CC(C)(C)c1ccc([C@@H]2CCCN2c2ncc(C#N)cc2F)cc1 1651395222 LFAOFPCGJZKZGJ-SFHVURJKSA-N 323.415 4.731 30 20 DJED CC(C)C[C@H](Cc1ccc(Cl)cc1Cl)NC[C@@H](C)C#N 1652169269 HRJURFVQZSVVRV-SWLSCSKDSA-N 313.272 4.700 30 20 DJED CC(C)(C)c1csc(NC(=O)N[C@H]2CC[C@H](C)CC2)c1C#N 1671686919 UZKAYJJNKDJMFX-HAQNSBGRSA-N 319.474 4.617 30 20 DJED CCC(C#N)(CC)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 44764879 KZGIYGLVLBGKFO-UHFFFAOYSA-N 318.726 4.627 30 20 DJED C=CCOc1cccc(NC(=O)C[C@H](C)c2ccc(F)cc2)c1 65749660 YSPVLNOYRDYCKC-AWEZNQCLSA-N 313.372 4.523 30 20 DJED C[C@@H](C(=O)Nc1sccc1C#N)c1ccc2ccccc2c1 84515805 MFJILRFJZYPIRO-GFCCVEGCSA-N 306.390 4.515 30 20 DJED N#CCC[C@H](Nc1ccc2cc(C#N)ccc2n1)c1ccccc1 92924065 NQPRWVAQDBDEPK-SFHVURJKSA-N 312.376 4.563 30 20 DJED N#CCCCOc1cccc(CNc2cccc3cccnc23)c1 155385898 JJJZYTQHMLJSRK-UHFFFAOYSA-N 317.392 4.529 30 20 DJED CCCC[C@H](NCc1ccc(C#N)s1)c1ccc(OC)cc1 176962347 BFNGADQSNGKRCE-SFHVURJKSA-N 314.454 4.649 30 20 DJED C[C@H](Nc1cccc(OCCCC#N)c1)c1cccc(F)c1F 179819742 YQSRIAKHAOTVLO-ZDUSSCGKSA-N 316.351 4.820 30 20 DJED Cc1ccsc1[C@@H](Cc1ccccc1)Nc1ncccc1C#N 301347504 UBGCUQXMMZEYFF-QGZVFWFLSA-N 319.433 4.719 30 20 DJED Cc1ccc(-c2nc(CNc3ccc(Cl)cc3C#N)co2)cc1 301420984 IJTCNXCIAVLJQN-UHFFFAOYSA-N 323.783 4.787 30 20 DJED CCC(C)(C)CC(=O)N(Cc1ccco1)c1ccccc1C#N 342437960 SHHQOTOEMGISSR-UHFFFAOYSA-N 310.397 4.511 30 20 DJED C[C@H](SCCc1ccc2c(c1)CCO2)c1ccc(C#N)cc1 437280077 YZIIMCJCWBDSMJ-AWEZNQCLSA-N 309.434 4.530 30 20 DJED CC(C)(C#N)CCC[S@@](=O)Cc1ccc(C2CCC2)cc1 447112174 UVHFJLBLLMVAET-OAQYLSRUSA-N 303.471 4.533 30 20 DJED Cc1ccc2nc([C@@H]3CCCN3CCCCC(C)(C)C#N)[nH]c2c1 451011001 BOLILFDIELJUIE-SFHVURJKSA-N 324.472 4.728 30 20 DJED N#Cc1cnc(Nc2cccc(Oc3ccccn3)c2)c(Cl)c1 463069145 OENXFBYUXGQPDO-UHFFFAOYSA-N 322.755 4.538 30 20 DJED CC(C)(C#N)c1ccccc1COc1cnc2ccccc2c1 466841087 KCPBKISMLFNUKN-UHFFFAOYSA-N 302.377 4.615 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccc(OCCC(C)C)cc1 467402316 RGIBYCMBXWLFBO-UHFFFAOYSA-N 304.434 4.541 30 20 DJED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)C[C@H](CC#N)c1ccccc1 476291421 VVINTUNLEZGENM-NEWSRXKRSA-N 312.457 4.501 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1scc(C)c1Cl 480140326 AFHZJQKMJXXYAM-UHFFFAOYSA-N 312.866 4.502 30 20 DJED C=CCC1(C(=O)N[C@H](C)c2ccc(SCC)cc2)CCC1 480167719 RKEWVFSLQHIZDX-CQSZACIVSA-N 303.471 4.722 30 20 DJED C=C[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(C(F)(F)F)c1 488874837 FLZDFZBQFDJVEB-LLVKDONJSA-N 317.738 4.540 30 20 DJED N#Cc1ccc(C(F)(F)F)nc1N(CC1CC1)C1CCCCC1 522408864 ZYLQEPIQTJACFC-UHFFFAOYSA-N 323.362 4.521 30 20 DJED CCCN(C(=O)CCCCCC#N)[C@H](CC)c1ccccc1 588327794 WYWPHVRHKUWPBU-GOSISDBHSA-N 300.446 4.850 30 20 DJED CC[C@@H](C#N)C(=O)Nc1ccc(O[C@@H](C)c2ccccc2)cc1C 593450269 JXTGGJZNENPUMD-HOTGVXAUSA-N 322.408 4.623 30 20 DJED C[C@H](CCSc1ccccc1)N[C@H](C)c1cccc(C#N)c1 611387090 DWAXVKHNYKTKSI-HZPDHXFCSA-N 310.466 4.780 30 20 DJED COc1ccc(C)cc1C(=O)/C=C/c1coc(-c2ccccc2)n1 731835880 UOLSLIRJZLZFQD-MDZDMXLPSA-N 319.360 4.555 30 20 DJED CCCCCCCC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 752034528 QJGKNNHUXYPYQO-MOPGFXCFSA-N 312.457 4.645 30 20 DJED CCCCCCCC(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 754568734 OIPZMTPUNNMCKY-ROUUACIJSA-N 321.436 4.523 30 20 DJED C/C(=C\c1ccccc1Cl)C(=O)N(CCC#N)CC(C)(C)C 755865665 BLVNUPGOYGHGNY-WYMLVPIESA-N 318.848 4.532 30 20 DJED C#CC[C@@H](NCc1ccc(-c2ccccc2)o1)c1ccccc1 756998115 RBDLNQUSZUNTBM-HXUWFJFHSA-N 301.389 4.801 30 20 DJED Cc1cccc2c1C/C(=C/c1cccc(-c3cccnc3)c1)C2=O 768491367 ZZCHUUNXRUPYTJ-UNOMPAQXSA-N 311.384 4.879 30 20 DJED CC1(C)CCC[C@@H]1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 773982887 SRKNCROLJOCIEI-LSDHHAIUSA-N 324.449 4.813 30 20 DJED COc1ccc(Cl)c(N[C@H](C)c2ccc(C#N)c(F)c2)c1 777709360 RYPXVKUWKLALEY-SNVBAGLBSA-N 304.752 4.532 30 20 DJED CC/C(C)=C(/C)C(=O)Nc1sc(-c2ccccc2)cc1C#N 779857905 QBVQKVOIKHWOOE-SEYXRHQNSA-N 310.422 4.972 30 20 DJED C=CCCN(C)C(=O)Nc1cc2oc3ccccc3c2cc1OC 786052962 OFLMQKCWSQLPNV-UHFFFAOYSA-N 324.380 4.634 30 20 DJED CC(C)(C)c1cnc(/C=C\C(=O)c2c[nH]c3ccccc23)s1 790601907 AVLVGEHOUGKXDZ-HJWRWDBZSA-N 310.422 4.818 30 20 DJED CN(C)c1ccc(N[C@H]2CCCCc3cc(C#N)ccc32)cc1 795812400 CFNYXJGDNYAJKL-FQEVSTJZSA-N 305.425 4.504 30 20 DJED C#Cc1cccc(NC(=O)c2cc3c(Cl)cccc3s2)c1 819397382 BSKQQNNRAJTRTI-UHFFFAOYSA-N 311.793 4.788 30 20 DJED O=C(/C=C/c1ccc(Cl)s1)c1ccc(OC(F)F)cc1 834692925 JJZLAXORJBFRSO-FNORWQNLSA-N 314.740 4.899 30 20 DJED O=C1/C(=C\c2ccc(C(F)(F)F)cc2)COc2c(F)cccc21 921267232 ZFRJOMJNJIIHSW-FLIBITNWSA-N 322.257 4.503 30 20 DJED CSc1ccccc1C(=O)/C=C/c1ccc(C)c([N+](=O)[O-])c1 1116909280 SCQRBTDUSYMDRJ-MDZDMXLPSA-N 313.378 4.521 30 20 DJED Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2ccc(F)c(C#N)c2)o1 1167516651 HJMANEVNFVCUCO-ACJLOTCBSA-N 312.388 4.572 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CCC(C)(c2ccccc2)CC1 1168215073 NZKCVWSNUXFPKM-QGZVFWFLSA-N 304.437 4.673 30 20 DJED N#Cc1ccc(CN(CCc2ccccc2)C2CCCC2)c(F)c1 1204743346 DLPXZNWPHCAKKA-UHFFFAOYSA-N 322.427 4.685 30 20 DJED CC[C@H](Cc1ccc(C)cc1)N[C@H]1CCCc2cc(C#N)ccc21 1206329015 RPGADLYPAQJJLE-IRLDBZIGSA-N 318.464 4.855 30 20 DJED C[C@@H]1C[C@@H](CCNC(=O)Nc2sccc2C#N)CC(C)(C)C1 1219354933 WQKRPAZPYOECBH-CHWSQXEVSA-N 319.474 4.594 30 20 DJED Cc1ccccc1[C@H](NC(=O)c1cccc(C#N)c1C)C(C)(C)C 1265759718 BVFWTCGVHDBZRX-IBGZPJMESA-N 320.436 4.692 30 20 DJED N#Cc1ccc(CN[C@H]2CCCC[C@@H]2Cc2ccccc2)s1 1307709358 PYTFQIZHIHWNON-APWZRJJASA-N 310.466 4.511 30 20 DJED CC(C)(c1ccccc1)c1nnc(-c2ccc(Cl)c(C#N)c2)o1 1341555442 XSGYFMQLCPGFQT-UHFFFAOYSA-N 323.783 4.588 30 20 DJED Cc1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)ccc1Cl 1437176710 CDUFOUPPESQWAH-OAHLLOKOSA-N 312.800 4.675 30 20 DJED Cc1ccc([C@@H]2CCC[C@@H]2N(C)Cc2ccc(F)c(C#N)c2)cc1 1459555599 BYPQQGKAUIUWGL-FPOVZHCZSA-N 322.427 4.774 30 20 DJED CCCC[C@H](C)N(CCCC)C(=O)c1c(F)cc(C#N)cc1F 1460310439 FUJMJVVBBJDRSS-ZDUSSCGKSA-N 322.399 4.657 30 20 DJED Cc1nsc(NCC2(c3cccc(Cl)c3)CCC2)c1C#N 1472855968 UOZWIVIQOGECLO-UHFFFAOYSA-N 317.845 4.510 30 20 DJED Cc1ccc([C@H]2CCCCN2CCc2ccc(C#N)cc2)cc1 1473187078 WOPBGRAJTNIWQX-OAQYLSRUSA-N 304.437 4.636 30 20 DJED N#Cc1cccc(N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)n1 1559175643 XXKADQCGNRRNSH-AULYBMBSSA-N 318.207 4.618 30 20 DJED CCCc1ccc([C@H](Nc2cc(C#N)nc(CC)n2)C(C)C)cc1 1611923783 KRUIWSRATBHWKX-HXUWFJFHSA-N 322.456 4.672 30 20 DJED C[C@H]1Cc2cc(F)ccc2[C@H](C)N1CCC1(C#N)CCCCC1 1616403559 SLTJTMCTOGAKHL-HOTGVXAUSA-N 314.448 4.997 30 20 DJED CCCCc1ccc(N(C)C(=O)Nc2cc(C#N)ccc2C)cc1 1623179897 ZNCQRCMUJMEJTO-UHFFFAOYSA-N 321.424 4.878 30 20 DJED N#Cc1c(F)cccc1Sc1cccc(Br)c1 38982735 UBKPIGPMKZIMKG-UHFFFAOYSA-N 308.175 4.611 30 20 DJED CCCOc1cc(/C=C/C(=O)c2cccc(F)c2)ccc1OC 57435491 RMILCCDSNKFHNK-VQHVLOKHSA-N 314.356 4.519 30 20 DJED C=CCN(C(=O)c1sc(C(C)(C)C)nc1C)c1ccccc1 61137281 GNQMUXLVDGEVFK-UHFFFAOYSA-N 314.454 4.582 30 20 DJED CCCOc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1 83192844 HJHZGVCRVISGFX-BJMVGYQFSA-N 302.320 4.650 30 20 DJED O=C1/C(=C/c2ccc3ncccc3c2)CSc2ccc(F)cc21 212894062 GQGCLXMYKOFCIG-NTEUORMPSA-N 321.376 4.746 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@@H](Cc2ccccc2)c2cccs2)C1 248851910 OVWNQGPKHRLSBK-SQNIBIBYSA-N 310.466 4.704 30 20 DJED N#CCc1cccc(NCc2ccc(SC(F)(F)F)cc2)c1 313425666 KNIKGGUCQZGNRP-UHFFFAOYSA-N 322.355 4.977 30 20 DJED C[C@@H](CCC(C)(C)C)C(=O)N[C@@H](CCC#N)c1ccccc1 348031913 WOKULAPANWLKML-RDJZCZTQSA-N 300.446 4.610 30 20 DJED COc1ccc(C#N)cc1CN[C@H](CC1CCC1)c1ccccc1 351026010 IPWMTRBRKJRBJQ-HXUWFJFHSA-N 320.436 4.588 30 20 DJED N#Cc1cc(C(F)(F)F)ccc1NC[C@@H]1CCCCC1(F)F 381921148 OGBFUUJVNSLIKN-LBPRGKRZSA-N 318.289 4.814 30 20 DJED N#CC1(CSCc2csc(Cc3ccccc3)n2)CCC1 419384270 JTKXOFNICWRPIM-UHFFFAOYSA-N 314.479 4.661 30 20 DJED C=CCN(C)C(=O)Nc1cccc(CSC2CCCCC2)c1 429441820 AUGWENDUMSRDAU-UHFFFAOYSA-N 318.486 4.902 30 20 DJED C[C@H]1C[C@@H](C(=O)Nc2ccccc2SCCC#N)CC[C@H]1C 448936166 DWEVYMDWLZLCLA-ILXRZTDVSA-N 316.470 4.703 30 20 DJED CC1(C#N)CCC(NC(c2cccs2)c2cccs2)CC1 449167239 IUGIQCYATZIYCD-UHFFFAOYSA-N 316.495 4.961 30 20 DJED N#CCc1cccc(NC2CCC(c3ccc(O)cc3)CC2)c1 449702573 SLFLYKOKPLAPFG-UHFFFAOYSA-N 306.409 4.597 30 20 DJED N#Cc1ccc(CSc2ccc(C#N)cc2Cl)c(F)c1 465387172 GJULFBGSUOQPLT-UHFFFAOYSA-N 302.761 4.515 30 20 DJED C=C(C)[C@@H](NC[C@@H](C)CC1CCOCC1)c1ccc(F)c(F)c1 479417805 GFODBTOPUOSACV-IFXJQAMLSA-N 323.427 4.624 30 20 DJED Cn1cc(CN[C@@H](CC2CCCCC2)c2ccccc2)cc1C#N 480386973 UXEAIENNWFSTCI-NRFANRHFSA-N 321.468 4.698 30 20 DJED CCCCN(Cc1ccccc1C(C)(C)C#N)CC(F)(F)F 487394849 KJBVRQXJIHCMCF-UHFFFAOYSA-N 312.379 4.652 30 20 DJED Cc1cc(Cl)c2ncc(C#N)c(NCC3CC(F)(F)C3)c2c1 488455838 ABTNQXBENTUHDO-UHFFFAOYSA-N 321.758 4.526 30 20 DJED CCC[C@H](Nc1ncccc1C#N)c1cccc(C(F)(F)F)c1 498943267 OGONVLWMXZZVEC-HNNXBMFYSA-N 319.330 4.925 30 20 DJED Cc1sc(NC(=O)C[C@H](C)c2ccccc2F)c(C#N)c1C 524271466 MXNILJCASACFKB-JTQLQIEISA-N 316.401 4.508 30 20 DJED C=C[C@@H](CC(=O)N(C)[C@H](C)c1ccc(C)cc1)c1ccccc1 536090594 MJNOCPUEQRLQLZ-MSOLQXFVSA-N 307.437 4.874 30 20 DJED CC[C@](C)(C#N)C(=O)N[C@@H](C)c1ccc(Cl)c2ccccc12 552433864 FORVAHHPFFROGH-KPZWWZAWSA-N 314.816 4.610 30 20 DJED N#CCC[C@@H](C#N)CNCc1ccccc1-c1ccc(Cl)cc1 558506647 AOPBYQGRXZFRGG-HNNXBMFYSA-N 323.827 4.540 30 20 DJED CCC[C@H](CC1CCCCC1)C(=O)NCC(C)(C)CCC#N 567396086 QNOAIQYFHGUIRW-QGZVFWFLSA-N 306.494 4.819 30 20 DJED CCOc1ccccc1[C@@H](CC)N[C@@H]1CCc2ccc(C#N)cc21 574489892 YXGFMPKUWJBKCO-WOJBJXKFSA-N 320.436 4.685 30 20 DJED CC(C)C[C@H](C)CC(=O)N(Cc1ccco1)c1ccccc1C#N 609010799 UPFRJCOZVHIMCY-INIZCTEOSA-N 324.424 4.757 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)N[C@@H](C)c1cccc(C#N)c1 610362332 PZGNQZBMIORIAF-MAUKXSAKSA-N 312.457 4.732 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2NCc1cc(Cl)ccc1Cl 618741702 LJRUZTICACOANL-KRWDZBQOSA-N 317.219 4.642 30 20 DJED CCC[C@H](C)N1Cc2ccc(N=Cc3ccccc3O)cc2C1 726427606 QOAQMWVXVDHXBA-HNNXBMFYSA-N 308.425 4.647 30 20 DJED C#Cc1cccc(NC(=S)Nc2ccccc2OCCCC)c1 726472747 SFQWAFAAWPOOTF-UHFFFAOYSA-N 324.449 4.656 30 20 DJED FC(F)(F)c1cccc(NN=Cc2ccnc3ccccc23)c1 731315046 TXFXOJWRCZSBBG-UHFFFAOYSA-N 315.298 4.700 30 20 DJED CC(CCc1ccccc1F)=NNc1cccc2cnccc12 734096772 WSDWUKGINRIQNV-UHFFFAOYSA-N 307.372 4.795 30 20 DJED C=CCCCCCN(C)C(=O)c1nc(-c2cccs2)oc1C 739655365 RZKKIVNNFDUGLS-UHFFFAOYSA-N 318.442 4.530 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)C[C@H](C)CC(C)(C)C)n1 747193666 MBACAFAILIPQIC-STQMWFEESA-N 306.475 4.905 30 20 DJED CCN(C[C@@H](C)C#N)C(=S)Nc1ccccc1-c1ccccc1 751012276 YBDYUHZCZOFLOC-HNNXBMFYSA-N 323.465 4.532 30 20 DJED C=C[C@H](CC(=O)OCc1cnc2ccccc2c1)c1ccccc1 759329693 LYTIIYPBZWGZAQ-QGZVFWFLSA-N 317.388 4.638 30 20 DJED COc1cc(C)ccc1C(=O)/C=C\c1ccc(Cl)nc1Cl 761478932 SUXWHANSYLJRRB-DAXSKMNVSA-N 322.191 4.602 30 20 DJED COc1cc(F)ccc1NN=Cc1c(Cl)cccc1Cl 761894228 AXGGSWCLPWHINC-UHFFFAOYSA-N 313.159 4.587 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)s1 762442223 HHWPJEZBNLHNRL-VMPITWQZSA-N 323.348 4.915 30 20 DJED CCc1cnccc1C(C)=NNc1cc(Cl)ccc1Cl 765579529 CCOVZMLJDBMAKY-UHFFFAOYSA-N 308.212 4.787 30 20 DJED O=C(/C=C/c1cccs1)c1ccc(Br)c(F)c1 767734504 DZQOCZYXQDFQGH-GQCTYLIASA-N 311.175 4.546 30 20 DJED Cc1ccc(NN=CCCCc2ccc(Cl)c(Cl)c2)nn1 768778312 ZLBDTCQRUVDQKV-UHFFFAOYSA-N 323.227 4.512 30 20 DJED C=C(Cl)COc1ccc([C@@H](C)Nc2cnn(CCC)c2)cc1 777198996 LUMAAWNMZAUWLB-CQSZACIVSA-N 319.836 4.598 30 20 DJED CC(=O)Nc1ccc(C(=O)/C=C/c2ccc(Cl)c(C)c2)cc1 781552258 RTQGTWWRQVUHAX-ONNFQVAWSA-N 313.784 4.503 30 20 DJED C/C=C/C=C/C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782484210 DVJQHDDLOVCUMC-HTLWUQDASA-N 316.404 4.535 30 20 DJED CC(C)n1nccc1/C=C\C(=O)c1ccc(Cl)cc1Cl 794926248 KLGRLJJYSZEROO-XQRVVYSFSA-N 309.196 4.667 30 20 DJED N#CC[C@H](CC(=O)OCc1ccc(Cl)s1)c1ccccc1 795986760 RLBMYGKYTAUQCN-CYBMUJFWSA-N 319.813 4.532 30 20 DJED COc1ccc(/C=C\C(=O)c2cccc(OC(F)F)c2)cc1C 810227829 KNCBAHGJGGVBBC-VURMDHGXSA-N 318.319 4.501 30 20 DJED CC1(C)/C(=C/c2ccc(N3CCCC3)cc2)C(=O)c2ccccc21 1115891096 RJZXORHWCAXBMW-HMMYKYKNSA-N 317.432 4.844 30 20 DJED CC1(C)CCCC[C@H]1C(=O)N(c1ccc(C#N)cc1)C1CCC1 1131371127 APCGAMAXWJLNBC-SFHVURJKSA-N 310.441 4.660 30 20 DJED C[C@H](Nc1cccc(CC#N)n1)c1ccc(Cl)cc1Cl 1320953057 NUYHZBRCVGXONX-JTQLQIEISA-N 306.196 4.628 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccc(C)c(Cl)c1Cl 1341242541 CUWSUNBRVNERTC-UHFFFAOYSA-N 301.217 4.732 30 20 DJED CC(C)(C)c1ccc(NC(=O)[C@@H](CC#N)c2ccccc2)cc1 1354920950 ZKUBWPGJTCWDQT-SFHVURJKSA-N 306.409 4.620 30 20 DJED Cc1c(C#N)cccc1NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 1435496604 LEFCICSEIXNJEZ-RTBURBONSA-N 318.420 4.779 30 20 DJED CCc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1Cl 1436183920 WLUWMWODDFXVNZ-DLBZAZTESA-N 324.811 4.516 30 20 DJED CCc1ccc([C@H](C)CC(=O)O[C@H](C)c2cccc(C#N)c2)cc1 1457765380 ZBDXKLHXASKTQW-HZPDHXFCSA-N 321.420 4.919 30 20 DJED CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NCCC(C)(C)C#N 1460151988 PUFJHUYGGDRRDU-GOSISDBHSA-N 306.881 4.827 30 20 DJED N#Cc1ccc(CNC2CCC3(CCCCC3)CC2)c(F)c1 1461434190 UTTUITWUYMJTHS-UHFFFAOYSA-N 300.421 4.680 30 20 DJED C[C@@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1F 1521320076 BHCDSJXRSAGHNO-CYBMUJFWSA-N 311.356 4.545 30 20 DJED CCCCN(C(=O)c1cc(C#N)ccc1C)[C@@H]1CCC[C@@H](C)C1 1527351397 MKXDZHQAEYFCLR-CRAIPNDOSA-N 312.457 4.688 30 20 DJED N#Cc1cc(Cl)ccc1NC(=O)Cc1ccc2ccccc2c1 1528632143 OYIOTVSCOSLIOK-UHFFFAOYSA-N 320.779 4.546 30 20 DJED CCCCN(C(=O)c1cc(C#N)ccc1C)[C@@H](C)c1ccccc1 1532403621 WFMOGXKTPSTYBX-KRWDZBQOSA-N 320.436 4.870 30 20 DJED CC[C@@H](CC(=O)N(CC)c1ccc(C#N)c(Cl)c1)C(C)C 1535605964 SZICILGECPWXKD-ZDUSSCGKSA-N 306.837 4.637 30 20 DJED C[C@H](NCCc1ccc(C#N)cc1)c1ccc(F)c2ccccc12 1618286417 BLGSQLJGUDBRAC-HNNXBMFYSA-N 318.395 4.744 30 20 DJED Cc1cc(CN2CCC[C@@]2(C)Cc2ccccc2F)ccc1C#N 1621408205 SKXRPDSRFRCHHR-NRFANRHFSA-N 322.427 4.603 30 20 DJED CCCC[C@H](NCCc1ccc(C#N)cc1)c1ccc(OC)cc1 1645029040 ZTKAAGWLRVAJKS-NRFANRHFSA-N 322.452 4.630 30 20 DJED Cc1ccc(C[C@@H]2CCCN(Cc3ccc(C#N)c(C)c3)C2)cc1 1658214683 XKVHTXYKYPRWCU-FQEVSTJZSA-N 318.464 4.630 30 20 DJED CCC1(NC(=O)Nc2scc(C(C)(C)C)c2C#N)CCCC1 1677860386 LTWBRGZWWFRCDK-UHFFFAOYSA-N 319.474 4.762 30 20 DJED O=C(O)c1cc(NN=C2CCCC3(CCCCC3)C2)ccc1F 1776064964 ODOYJAZLWRGUPZ-UHFFFAOYSA-N 318.392 4.816 30 20 DJED CCC(CC)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32291174 UDLOHNHLMQFOCQ-UHFFFAOYSA-N 322.408 4.512 30 20 DJED COc1cccc2cc(/C=C/C(=O)c3ccc(F)c(F)c3)oc12 45299468 RUWADVDJVUPQHY-SOFGYWHQSA-N 314.287 4.616 30 20 DJED CCN(C(=O)C[C@H](C)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 45499260 WTBSZFCAOFGMOW-DLBZAZTESA-N 320.436 4.662 30 20 DJED O=C(/C=C/c1ccccc1OC(F)F)c1ccc(Cl)s1 57437818 IAFWZDFUANUAEX-AATRIKPKSA-N 314.740 4.899 30 20 DJED CC(C)(C#N)CCCOc1cc(Br)ccc1Cl 87598995 NGSMSPRKHPFAND-UHFFFAOYSA-N 316.626 4.811 30 20 DJED C=CCCCS[C@@H](C)C(=O)Nc1ccc(F)cc1Cl 117944606 YGQUUTYYNHUESC-JTQLQIEISA-N 301.814 4.506 30 20 DJED N#Cc1ccc(CNc2ccc(SC(F)(F)F)cc2)s1 157532578 CWAGIYHFFDFXRF-UHFFFAOYSA-N 314.357 4.844 30 20 DJED CC(C)c1ccc(-c2nc(CN(C)[C@@H](C)CC#N)cs2)cc1 161889606 NJTOQJKKBXLMDZ-AWEZNQCLSA-N 313.470 4.667 30 20 DJED N#Cc1ccccc1SCc1nc2ccccc2n1C(F)F 172680516 YPDVRELYHMTHPB-UHFFFAOYSA-N 315.348 4.595 30 20 DJED Cc1cc(C)c(C#N)c(S[C@H](C)c2nc3ccccc3o2)n1 182204302 DXOXDNNFGZLPLF-GFCCVEGCSA-N 309.394 4.565 30 20 DJED C=CCCCCCSc1nnc(-c2cccnc2)n1C1CC1 195431793 CZJXQCYQCMUXFS-UHFFFAOYSA-N 314.458 4.514 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](c2ccccc2)CC1 303690161 LVDRMOZUDJDWKI-LAUBAEHRSA-N 304.437 4.889 30 20 DJED Cc1ccc([C@H]2OCCC[C@H]2C(O)=Nc2cnc(C)s2)cc1 328786282 KTAYBJHMIIIMPA-GDBMZVCRSA-N 316.426 4.516 30 20 DJED N#Cc1ccc(CC/C(O)=N/[C@@H]2CCCCC23CCCC3)cc1 329721524 DZJVQUBORJXDTP-GOSISDBHSA-N 310.441 4.950 30 20 DJED Cc1[nH]nc(-c2ccccc2)c1N=C(O)[C@H]1CCCC(F)(F)C1 330179999 NAZZVQRTGKESDL-ZDUSSCGKSA-N 319.355 4.799 30 20 DJED C[C@@H](NCc1ccc(C#N)s1)[C@@H]1C[C@H]1c1ccc(Cl)s1 421348451 GFMWSISUKNHCIF-JIMOISOXSA-N 322.886 4.616 30 20 DJED C=C(C)CN1CCC(NC2CCC(C(C)(C)CC)CC2)CC1 462740995 CZOFCJSQIBNURQ-UHFFFAOYSA-N 306.538 4.612 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1c(Cl)cc(F)cc1Cl 476239188 RAKFYVXIYXHPLM-UHFFFAOYSA-N 323.154 4.565 30 20 DJED C=CCC1(C(=O)N2CCC[C@]3(CCCc4ccccc43)C2)CCC1 479160892 JTRZAWZCNIMFEH-JOCHJYFZSA-N 323.480 4.630 30 20 DJED N#Cc1cc(Cl)ccc1CNC1(c2cccc(Cl)c2)CC1 480899120 OTOCNUKMWGZHOU-UHFFFAOYSA-N 317.219 4.644 30 20 DJED C=CCn1cccc1C(=O)N(CC)[C@H](C)c1cc2ccccc2o1 489083296 YMQOYUROMGYQSM-OAHLLOKOSA-N 322.408 4.644 30 20 DJED Cc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(CC#N)cc1 536186655 HJNJBRZGGXGCNU-FQEVSTJZSA-N 320.436 4.578 30 20 DJED C[C@@H]1CC[C@@H](C(=O)Nc2sc(-c3ccccc3)cc2C#N)C1 540645979 SAUSGNWQQNQGBK-TZMCWYRMSA-N 310.422 4.661 30 20 DJED C[C@@H](N[C@@H]1CCC[C@H]1c1ccccc1)c1ccc(C#N)c(F)c1 560584134 HZNZZUSZJCGECV-HEFCMCLBSA-N 308.400 4.684 30 20 DJED C[C@H](Sc1ccc(C#N)cc1F)c1nccn1-c1ccccc1 561473197 CCTPTTFJPUZTKC-ZDUSSCGKSA-N 323.396 4.736 30 20 DJED C=C[C@](C)(CC)c1nc(-c2ccccc2COC(C)C)no1 568137119 ULFHNWQSLDHFLO-GOSISDBHSA-N 300.402 4.515 30 20 DJED C=CCCCCCN(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 573142471 XBJLFJONSMSBKI-HZPDHXFCSA-N 305.849 4.648 30 20 DJED CSc1ccc(CNc2cc(C#N)ccc2OC(C)C)s1 580922780 BCOPNSBINNNQFU-UHFFFAOYSA-N 318.467 4.741 30 20 DJED C[C@H](N[C@@H](C)c1cnc2ccsc2c1)c1cccc(C#N)c1 610830457 VHXKPAIKHWSMOE-STQMWFEESA-N 307.422 4.580 30 20 DJED C=CCC1(NCc2ccc(-c3cccs3)cc2)CCOCC1 657635149 XNJSCUHMCCNHSH-UHFFFAOYSA-N 313.466 4.630 30 20 DJED C#CCCOc1ccc(CN[C@@H](c2ccccc2C)C2CC2)cc1 733326572 MJQSKTKLIWUILH-JOCHJYFZSA-N 319.448 4.638 30 20 DJED O=C(O)c1ccc(/C=C\C(=O)c2cccc(Cl)c2Cl)cc1 734981758 SVMZBWIUXQVMEP-TWGQIWQCSA-N 321.159 4.588 30 20 DJED O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1Cl 734982175 YMJQSEPEDWYMAN-FPLPWBNLSA-N 322.147 4.798 30 20 DJED O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)c1cncs1 735793370 WWDNAEAFCDYBBW-ALCCZGGFSA-N 315.394 4.907 30 20 DJED C[C@H](SCCCOc1ccc(C#N)cc1)c1cccs1 737402796 QFXDXNMYTNVYTR-ZDUSSCGKSA-N 303.452 4.883 30 20 DJED Cc1ccc(-c2ccc(/C=C\C(=O)c3cncc(F)c3)o2)cc1 737443471 JGPPQNBBHMGCJZ-VURMDHGXSA-N 307.324 4.685 30 20 DJED O=C1/C(=C\c2nccc3ccccc23)Cc2c(Cl)cccc21 740765308 WAKNIFLQVZSAKK-QBFSEMIESA-N 305.764 4.711 30 20 DJED C=C(C)CN[C@@H](c1cccc(OC)c1)c1ccccc1Cl 742260856 BZKLCGGPTCMRQB-SFHVURJKSA-N 301.817 4.604 30 20 DJED N#C[C@@H](C(=O)C1CCCCCCC1)c1ccc2ccccc2n1 744015707 AZOUCROTHBKQDC-QGZVFWFLSA-N 306.409 4.772 30 20 DJED Clc1scc(C=NNCCCc2ccccc2)c1Cl 761807686 SPRWBJLNVYBZHY-UHFFFAOYSA-N 313.253 4.611 30 20 DJED Cc1c(C(=O)/C=C\c2ccc(C#N)cc2F)oc2ccccc12 772797292 OBRAXZGNSCPHNA-HJWRWDBZSA-N 305.308 4.648 30 20 DJED C#CCCCCN[C@@H]1CCCc2nc(-c3ccccc3)sc21 773039876 YSUXZZXIZLWKQJ-MRXNPFEDSA-N 310.466 4.581 30 20 DJED O=C(/C=C/c1ccc(Cl)c(Br)c1)c1ccco1 776190501 WYCXSFIFBPYVHJ-GQCTYLIASA-N 311.562 4.592 30 20 DJED N#CCCCOc1cccc(NC[C@H]2CCc3ccccc32)c1 779738788 YCPNPWRWECVPAW-QGZVFWFLSA-N 306.409 4.511 30 20 DJED CC(=NNc1ncccc1C)[C@@H](C)c1nc2ccccc2s1 790192737 CMMYTWCXUDXFLQ-GFCCVEGCSA-N 310.426 4.591 30 20 DJED CC(C)n1nccc1/C=C/C(=O)c1cc2cc(Cl)ccc2o1 794937746 IWVNFXFSZBHTLM-SNAWJCMRSA-N 314.772 4.760 30 20 DJED COc1ccccc1CON=Cc1ccc(-c2ccccc2)o1 799117662 NDAMLRVUSLHLFQ-UHFFFAOYSA-N 307.349 4.506 30 20 DJED O=C1/C(=C\c2ccccc2C(F)(F)F)Cc2nc(Cl)ccc21 806578249 PJZVGYSYEGFQAN-YFHOEESVSA-N 323.701 4.576 30 20 DJED O=C1/C(=C\c2ccc(Cl)s2)CSc2c(F)cccc21 834808405 ZTWTXNXPLTXYCN-VURMDHGXSA-N 310.802 4.913 30 20 DJED CC(CC1CCOCC1)=NNc1nc2ccc(Cl)cc2s1 853439033 YSLBFRANDWFOSN-UHFFFAOYSA-N 323.849 4.554 30 20 DJED Cc1c(Cl)c(C(F)(F)F)nn1CCCCC1(C#N)CCC1 902743229 JZRXJICHCNDTNG-UHFFFAOYSA-N 319.758 4.728 30 20 DJED CCc1cccc2c(/C=C3\COc4c(F)cccc4C3=O)c[nH]c12 921267198 YOYLIFKCUNGHHN-NTEUORMPSA-N 321.351 4.528 30 20 DJED CC#CCCCc1nnc(-c2sc(-c3ccccc3)nc2C)o1 1118367862 YGKJOCIBEZAPOV-UHFFFAOYSA-N 323.421 4.515 30 20 DJED Cc1cc(N[C@@H]2CC(C)(C)CCc3ccccc32)ncc1C#N 1186230497 DUHBMPFRRAFYNG-GOSISDBHSA-N 305.425 4.777 30 20 DJED CCN(CC#N)Cc1ccc(-c2cc(Cl)ccc2Cl)o1 1253997819 UTXRNNFSRNMZJG-UHFFFAOYSA-N 309.196 4.599 30 20 DJED Cc1ccccc1[C@H](NCCc1ccc(C#N)cc1)C(C)(C)C 1307627166 RJGDHDRXULSWPO-FQEVSTJZSA-N 306.453 4.786 30 20 DJED Cc1cccc(C2(C(=O)Nc3cccc(C#N)c3)CCCCC2)c1 1354253620 NEZQGNYZVVBIAE-UHFFFAOYSA-N 318.420 4.707 30 20 DJED Cc1ccc(C#N)cc1C(=O)Nc1ccccc1SC(C)C 1457904755 OKURBKYAPSNSHE-UHFFFAOYSA-N 310.422 4.620 30 20 DJED CC(C)(C)[C@H](Nc1nc(C#N)c(Cl)s1)c1ccccc1 1458258065 CQVHNNKSWAUYCT-GFCCVEGCSA-N 305.834 4.867 30 20 DJED N#Cc1c(F)cccc1N1CC2(CCCC2)[C@H]1c1ccccc1 1472800345 WDYDBBUCMPLGSI-LJQANCHMSA-N 306.384 4.819 30 20 DJED Cc1nc(N(C)C[C@H](C)C2CCCCC2)c(Cl)cc1C#N 1559255227 LVSUHGKALMHLFT-LBPRGKRZSA-N 305.853 4.568 30 20 DJED CC(C)CN(Cc1ccc(F)c(Cl)c1)CC1(CC#N)CC1 1560030102 MUQSPLBDSMMFGO-UHFFFAOYSA-N 308.828 4.631 30 20 DJED C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3cc(C#N)ccc3F)c21 1584948326 VGLTUQXNMYEONZ-GFCCVEGCSA-N 322.383 4.734 30 20 DJED C=C(CNC(=O)N1CCC[C@H]1c1ccc(C)cc1)c1ccccc1 1635923187 BHJJRLIKSMZQDX-FQEVSTJZSA-N 320.436 4.555 30 20 DJED N#Cc1c(F)cccc1N1CCC(c2cccc(Cl)c2)CC1 1639831250 QAGVPWMRYBWZOF-UHFFFAOYSA-N 314.791 4.735 30 20 DJED Cc1cc(C)c2nc(N[C@@H]3CCc4cc(C#N)ccc43)sc2c1 1642654496 WUAMIUARDSMFGS-MRXNPFEDSA-N 319.433 4.884 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1ccc(Cl)c(F)c1 1644334267 RMPBQJQEIDQVJG-UHFFFAOYSA-N 316.807 4.763 30 20 DJED Cc1nsc(N2C[C@@H](c3ccccc3)c3ccccc32)c1C#N 1651804439 ZBGOAXDGAPIZQN-KRWDZBQOSA-N 317.417 4.607 30 20 DJED Cc1ccc(Sc2ccc(C#N)c(Br)c2)s1 1651945853 PMKGAFKKEBZINM-UHFFFAOYSA-N 310.241 4.842 30 20 DJED N#Cc1cccc(CN[C@@H](c2ccc(F)cc2)C2CCCCC2)n1 1652963556 SWSRFUKTRVWIQC-HXUWFJFHSA-N 323.415 4.504 30 20 DJED CCc1nc(C(C)C)ccc1CN(C)[C@@H](C)c1cccc(C#N)c1 1653972720 NATYHQIOKNSECK-INIZCTEOSA-N 321.468 4.832 30 20 DJED C[C@H](c1cccc(C#N)c1)N1CC[C@H](Cc2ccccc2)[C@H]1C 1657522894 HBISNKPOROHZIS-CBGDNZLLSA-N 304.437 4.572 30 20 DJED C[C@H](CN1CCC[C@@H]1[C@H](C#N)c1ccccc1)C1CCCCC1 1658899261 LHYJSWPCUYCLQY-DUXKGJEZSA-N 310.485 4.975 30 20 DJED N#C[C@H]1CC[C@@H](NCC2(c3cccc(Cl)c3)CCCCC2)C1 1659259015 MTVZTWXEIWXQDN-MAUKXSAKSA-N 316.876 4.824 30 20 DJED CC(C)C(NC(=O)Nc1scc(C(C)(C)C)c1C#N)C(C)C 1672201845 KFZPFMJRVJQWAM-UHFFFAOYSA-N 321.490 4.719 30 20 DJED CC(=NNc1ccc(C(=O)O)cc1)c1ccc(C(C)(C)C)cc1 1776012048 WTYSVDOVSPBVFR-UHFFFAOYSA-N 310.397 4.518 30 20 DJED CCCCCCCCCC[C@H](C)Nc1ncc(C(=O)O)cn1 1776785344 XSQRKWCXUXHTFE-AWEZNQCLSA-N 307.438 4.506 30 20 DJED CC[C@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 25439990 JVVLXPNJXGKIOJ-SFHVURJKSA-N 306.409 4.620 30 20 DJED C[C@H](Nc1ccc(C#N)cn1)c1cc(F)c(Cl)cc1Cl 54359357 BIJRJCITWUQJBA-QMMMGPOBSA-N 310.159 4.572 30 20 DJED CC(C)C[C@@H]1CCCCCN1C(=O)Nc1ccc(CC#N)cc1 77672564 ITSLINWQQZWDCK-SFHVURJKSA-N 313.445 4.575 30 20 DJED COc1ccc(C(C)(C)C)cc1NCc1cc(C#N)cs1 93685937 OLNBJGOSKXVYOL-UHFFFAOYSA-N 300.427 4.538 30 20 DJED Cc1cc(C#N)ccc1OCc1c(Cl)ccc2cccnc12 110492815 PKWIYLGUVZBHOC-UHFFFAOYSA-N 308.768 4.647 30 20 DJED CC(C)c1cccc(C(C)C)c1NC(=O)N(C)[C@H](C)CC#N 119862701 QAQKNNRBMBLUGN-CQSZACIVSA-N 301.434 4.699 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 121846715 RQJUUUDQXPJTTA-OLZOCXBDSA-N 318.342 4.989 30 20 DJED C=C[C@@H](CC(=O)N(C)[C@H](C)c1ccc(OC)cc1)c1ccccc1 129172073 AAMAMYUXAUXGRK-SJORKVTESA-N 323.436 4.575 30 20 DJED CC(C)(C#N)CCCSc1ncnc2sc3c(c12)CCC3 177178594 VWXGDXZWIAHEHM-UHFFFAOYSA-N 317.483 4.602 30 20 DJED COc1ccsc1[C@H](C)Nc1cccc(OCCCC#N)c1 186244508 JONFUKLBLNZJNS-ZDUSSCGKSA-N 316.426 4.612 30 20 DJED C#CCCCC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 192012820 JKOMMCPUYVQSIK-INIZCTEOSA-N 306.409 4.602 30 20 DJED C=CCN(Cc1ccccc1)C(=O)N[C@H](CCC)c1ccccc1 195618942 PZPMLRNPFUUNCX-HXUWFJFHSA-N 322.452 4.926 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(C(C)C)cc2)cc1OC 211202559 IACHKMPECXGVMM-WZUFQYTHSA-N 310.393 4.723 30 20 DJED C=CCOc1cccc(NC(=O)NC(C)(C)c2cccc(C)c2)c1 303880216 QXJZVBFIKHIXPW-UHFFFAOYSA-N 324.424 4.617 30 20 DJED CC[C@H](N[C@H]1CCCc2ccc(C)cc21)c1ccc(C#N)cc1 352612098 MREMKMKAWCZGMP-SFTDATJTSA-N 304.437 4.985 30 20 DJED CCc1c([C@@H](C)NCc2ccc(C#N)c(F)c2)oc2ccccc12 404674067 FKMIUEIBIUGAOD-CYBMUJFWSA-N 322.383 4.857 30 20 DJED C[C@@H](C(=O)Nc1scc(C(C)(C)C)c1C#N)c1ccsc1 410932817 ZDFRBMHRNWDZFF-SNVBAGLBSA-N 318.467 4.721 30 20 DJED N#CC1(CCOc2cccc(Oc3ncccn3)c2)CCCCC1 418854544 BNPAUTCXSWWTSR-UHFFFAOYSA-N 323.396 4.512 30 20 DJED N#C[C@H]1CC[C@@H](N[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)C1 424336273 XOAVVJHSYBXGSW-DXEWXGHRSA-N 322.374 4.623 30 20 DJED C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)Cc1cccs1 425366739 QTDAEXPICTYXOR-LBPRGKRZSA-N 324.371 4.681 30 20 DJED CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1ccc(C#N)cc1Cl 426142559 ZXTUGGSWUGDNFE-MLGOLLRUSA-N 319.836 4.644 30 20 DJED Cc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1F 427981013 BVAAPLOHCCVHIC-UHFFFAOYSA-N 324.380 4.781 30 20 DJED CC(C)(CCC#N)CNC(=O)C(C)(C)c1cccc2ccccc12 451769692 CWKHZYVNEFCKBB-UHFFFAOYSA-N 322.452 4.564 30 20 DJED CCc1ccc(-c2ccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)o2)cc1 464168764 PTRIXPIEBVATRN-FQEVSTJZSA-N 324.424 4.567 30 20 DJED CC1CCC(CC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 464941333 NGRCWVMVZDUSLR-OTGCGEFBSA-N 324.468 4.501 30 20 DJED C=CC[C@@H](C)NC(=O)c1c(F)cccc1Sc1ccccc1 467724051 GVOZNSQSQSCPML-CYBMUJFWSA-N 315.413 4.671 30 20 DJED C=CCCC1(C(=O)N[C@@H](C)c2ccc(SCC)cc2)CC1 475660569 YTBWZEJDLQROJM-AWEZNQCLSA-N 303.471 4.722 30 20 DJED N#CCSc1cccc(C(=O)Nc2csc3ccccc23)c1 487480560 AXNUXEYHABHQFO-UHFFFAOYSA-N 324.430 4.769 30 20 DJED C[C@@H](c1cc2ccccc2o1)N(C)Cc1ccc(F)cc1C#N 489660692 UGRACPYLZHYXQL-ZDUSSCGKSA-N 308.356 4.637 30 20 DJED C=C(C)CN(CC)C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 499823335 OXXUIPYGNMTJIW-GFCCVEGCSA-N 314.256 4.597 30 20 DJED CC(C)c1ccc([C@H]2CCCCN2C(=O)CC(C)(C)C#N)cc1 502849471 MVNBPXPABNHCEA-GOSISDBHSA-N 312.457 4.803 30 20 DJED CCc1cc(C#N)c(NC(=O)c2cccc(C3CCC3)c2)s1 507923842 JWZOEAFBCHHPQX-UHFFFAOYSA-N 310.422 4.702 30 20 DJED C[C@H](Sc1cc(C#N)ccn1)c1ccccc1Br 513342574 GFSDFMPICZCLIU-JTQLQIEISA-N 319.227 4.569 30 20 DJED N#Cc1c(NC(=O)C[C@@H]2C=CCC2)sc2c1CCCCCC2 515448859 BDQIFSHQZUTDMA-CYBMUJFWSA-N 314.454 4.574 30 20 DJED C=CCCC1(C(=O)N2CCC(c3ccc(F)cc3C)CC2)CC1 519443346 MKTVIGGTWKGBMG-UHFFFAOYSA-N 315.432 4.587 30 20 DJED N#Cc1ccc(SCc2nc3ccc(F)cc3o2)c(Cl)c1 533177039 NWTWIZDOBRPTFA-UHFFFAOYSA-N 318.760 4.784 30 20 DJED CCC(C)(C)OCc1ccccc1NCc1ccc(C#N)cc1 541757606 JHRWSDRFBAXZER-UHFFFAOYSA-N 308.425 4.876 30 20 DJED Cc1cc(C)cc([C@H](C)NCc2ccccc2C(C)(C)C#N)c1 552969104 HOMXOUXPMPUAFO-KRWDZBQOSA-N 306.453 4.955 30 20 DJED Cc1ccccc1[C@H](c1noc(CCCCCC#N)n1)C(C)C 589156560 WUIVNNFCRLSQFO-GOSISDBHSA-N 311.429 4.792 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2CCC[C@@H]2c2cccs2)n1 613411307 NIJCEQSZSDBGFI-CQSZACIVSA-N 311.454 4.654 30 20 DJED CC(Cc1ccsc1)=NNc1ccc(C#N)c(C(F)(F)F)c1 729639122 VXUIBLCPDBYYRR-UHFFFAOYSA-N 323.343 4.669 30 20 DJED COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl 741467824 CVJPMMSPXSAMGT-FNORWQNLSA-N 307.176 4.898 30 20 DJED CCCCCCCCC/C=C/C(=O)N1CCC2(CCOCC2)C1 743783746 GYAHMFYYVGIFKA-ZHACJKMWSA-N 321.505 4.712 30 20 DJED CC(=NNc1ncccc1C(F)(F)F)[C@@H](C)c1ccccc1 746369479 UHCODKVYLLKWTQ-LLVKDONJSA-N 307.319 4.692 30 20 DJED O=C1/C(=C\c2ccc(Cl)nc2Cl)CCc2cc(F)ccc21 761480827 ULNMQOADSCUPOK-YFHOEESVSA-N 322.166 4.740 30 20 DJED O=C1/C(=C/c2nccc3ccccc23)[C@H]2CCCc3cccc1c32 763289443 MNAWKXWBTGECKC-HNMKQIAWSA-N 311.384 4.935 30 20 DJED C#CCCCCC(=O)N[C@H](CCc1ccccc1)c1ccccc1 773259867 OGBSCYJQAYVLRO-OAQYLSRUSA-N 319.448 4.670 30 20 DJED CCOc1c(Cl)cc(N[C@H]2CCC[C@@H](C#N)C2)cc1Cl 774348056 JNXXFPDFOVWOFG-MNOVXSKESA-N 313.228 4.886 30 20 DJED C#CCCCCCC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 779854533 HSUMXLGAILJSBR-UHFFFAOYSA-N 312.240 4.536 30 20 DJED O=C1/C(=C\c2ccc(C(F)F)cc2)Cc2c(F)cc(F)cc21 794946631 PQDBBTIIIOPORI-WZUFQYTHSA-N 306.258 4.725 30 20 DJED Cc1cccc(Cl)c1OC(=O)C[C@@H](CC#N)c1ccccc1 796691263 XOBPPVQDIYGWRY-OAHLLOKOSA-N 313.784 4.641 30 20 DJED CC[C@](C)(C#N)C(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1 808731070 QAQHFLPBCMIJET-GOSISDBHSA-N 314.335 4.510 30 20 DJED CSc1ccc(C=NNc2ccc(OC(F)F)cc2)s1 814828925 VGVBICSAAFAYJT-UHFFFAOYSA-N 314.382 4.517 30 20 DJED C=CCCCC(=O)Nc1c(F)cc(Cl)cc1Br 876459776 NEZHRZIWEYKCEA-UHFFFAOYSA-N 320.589 4.536 30 20 DJED Cc1c(C(=O)O[C@@H]2CCC[C@H](C#N)C2)oc2ccc(Cl)cc12 1129608256 BNETWSRMIUDQOF-WCQYABFASA-N 317.772 4.634 30 20 DJED N#Cc1ccccc1N(C(=O)CCCc1ccsc1)C1CCC1 1130950402 HSBLYSQRLYRNAJ-UHFFFAOYSA-N 324.449 4.528 30 20 DJED N#Cc1nccnc1Nc1ccc(Oc2cccc(Cl)c2)cc1 1162314175 RVUPIUNTVKJRSF-UHFFFAOYSA-N 322.755 4.538 30 20 DJED CC(C)(C)c1ccc(C#N)c(NCC[C@@H]2CCc3ccccc32)n1 1163413666 WNQSIRBMFWAARD-INIZCTEOSA-N 319.452 4.783 30 20 DJED CCc1cc(C#N)c(NC(=O)c2oc3c(C)cccc3c2C)s1 1264756075 PJMRJUHMHNIWGQ-UHFFFAOYSA-N 324.405 4.798 30 20 DJED C=C(Br)CN1CCCc2cc(C(C)(C)C)ccc21 1307585539 IWUXRCAMDMZANI-UHFFFAOYSA-N 308.263 4.645 30 20 DJED CCN(Cc1cc(F)cc(Cl)c1)[C@H](C)c1ccc(C#N)cc1 1308619112 KVXAKLDEQAKJPR-CYBMUJFWSA-N 316.807 4.934 30 20 DJED CCC(CC)[C@H](NC(=O)c1csc(C#N)c1)c1cccs1 1355124125 DVAHQKGNBRFVIG-HNNXBMFYSA-N 318.467 4.589 30 20 DJED C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1)c1cccc(C#N)c1 1355925959 RKOWVKXBHSVLSK-SNVBAGLBSA-N 320.175 4.783 30 20 DJED CC(C)[C@@H]1CCc2c(sc(NC(=O)[C@H](C)C(C)C)c2C#N)C1 1436522717 GIYFOQANNOEBQJ-CHWSQXEVSA-N 318.486 4.611 30 20 DJED N#Cc1ccc(SCc2ccc(-c3cccs3)cc2)nc1 1458903141 OJJVDXIWTFSZNT-UHFFFAOYSA-N 308.431 4.974 30 20 DJED CC[C@H](CN(CC)Cc1cc(C#N)ccc1OC)c1ccccc1 1473404602 UPKPVIPODYLMCU-GOSISDBHSA-N 322.452 4.583 30 20 DJED CC(C)CCC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1523663457 FPEUAYORUPQEDT-UHFFFAOYSA-N 308.381 4.725 30 20 DJED CC[C@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 1530388360 MYNRBQAPGGXNQX-QWHCGFSZSA-N 316.470 4.653 30 20 DJED C[C@H](NC(=O)CC(C)(C)C1CCCCC1)c1ccc(C#N)cc1 1532979344 QDNTVRCAVCXDEP-HNNXBMFYSA-N 312.457 4.732 30 20 DJED CC(C)[C@@H]1C[C@@H](OC(=O)c2cc(C#N)cs2)c2ccccc21 1538818175 JMKQXHNAKYTVGK-JKSUJKDBSA-N 311.406 4.661 30 20 DJED N#Cc1csc(CNC[C@H]2CCCC[C@H]2c2ccccc2)c1 1560473717 QVVXJIORALBCIY-MJGOQNOKSA-N 310.466 4.683 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1ccc(F)c(Cl)c1 1615168811 HYYHCLSIASCGJX-UHFFFAOYSA-N 316.807 4.763 30 20 DJED Cc1cc(Nc2ccccc2COc2ccccc2)ncc1C#N 1655007786 MCSQARMHXVJSKI-UHFFFAOYSA-N 315.376 4.584 30 20 DJED C[C@@H]1CCN(Cc2ccc(Cl)cc2C#N)[C@H](c2ccco2)C1 1657407678 SZIKKIVGDDBQEE-DYVFJYSZSA-N 314.816 4.778 30 20 DJED Cc1cccc(CSc2nc(C)cc(C(F)(F)F)c2C#N)c1 10399215 JAJVNBRXFAEVGL-UHFFFAOYSA-N 322.355 4.881 30 20 DJED N#Cc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 14175994 YHBHXFXATBTKQH-QPJJXVBHSA-N 302.160 4.761 30 20 DJED C=CCN(C(=O)c1ccoc1C)c1nc(-c2ccccc2)cs1 20008104 MFPYHYSTDGOODG-UHFFFAOYSA-N 324.405 4.544 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1cccc(Cl)c1C 43174819 AKTCDMCTWCDRNS-UHFFFAOYSA-N 320.845 4.930 30 20 DJED CCc1cccc(CC)c1NC(=O)N[C@H](C)c1ccc(C#N)cc1 43339683 VMLSXMYMVYQMBX-CQSZACIVSA-N 321.424 4.566 30 20 DJED N#Cc1ccc(CNCc2ccccc2Oc2ccccc2)cc1 63319263 XKVFDBWAWAMXFA-UHFFFAOYSA-N 314.388 4.640 30 20 DJED N#C[C@H](C(=O)c1csc2ccccc12)c1nc2ccccc2o1 73977168 PLAXEEIOCLOLKL-GFCCVEGCSA-N 318.357 4.533 30 20 DJED Cc1coc(-c2ccc(C)c(NCc3cc(C#N)ccc3F)c2)n1 128061714 BMWKRYSSZIMFFV-UHFFFAOYSA-N 321.355 4.581 30 20 DJED O=C(/C=C/c1cccs1)c1ccc(Br)cc1F 130201483 SOPQYKKUVZUTSH-GQCTYLIASA-N 311.175 4.546 30 20 DJED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cccc(F)c1F 183311932 ARNHYKMKVLJDQG-DYVFJYSZSA-N 300.352 4.660 30 20 DJED C=C(C)[C@H](N[C@H](C)c1cnc(C)s1)c1ccc(F)c(F)c1 186451588 RSSLXOIBZDYPBJ-HWPZZCPQSA-N 308.397 4.698 30 20 DJED C=CCC[C@@H](C(=O)Nc1cc(F)ccc1OC)c1ccccc1 188929853 ZGBCGQZFVQVIEW-MRXNPFEDSA-N 313.372 4.523 30 20 DJED C[C@H](NCc1ccc(C#N)c(F)c1)c1cc(Cl)ccc1Cl 192206199 YZXYBPJUIIHYSE-JTQLQIEISA-N 323.198 4.855 30 20 DJED Cc1csc([C@H](C#N)C(=O)c2ccc(-c3ccccc3)s2)n1 193272045 YMKIFGCJJRVQSF-CYBMUJFWSA-N 324.430 4.670 30 20 DJED CC[C@@H](C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1)c1ccccc1 193335995 BFWQLKMPLPGLNJ-OXQOHEQNSA-N 320.436 4.662 30 20 DJED CC(C)(CCC#N)CNCc1cccc(Oc2ccccc2)c1 236818876 WABYINJYAPCCEI-UHFFFAOYSA-N 308.425 4.898 30 20 DJED O=C(/C=C\c1cncs1)c1ccc(-c2ccccc2F)s1 255503592 NZCNEGAVDDUJHC-WAYWQWQTSA-N 315.394 4.907 30 20 DJED C[C@@H](C#N)CSc1ccccc1NCCCC1CCOCC1 279135960 XEWFGXMBNXGALV-HNNXBMFYSA-N 318.486 4.557 30 20 DJED N#Cc1cc(NC(=O)CCCCCc2cccs2)ccc1F 303381071 LQZNGZNNFYATKD-UHFFFAOYSA-N 316.401 4.500 30 20 DJED O/C(Cc1noc2ccccc12)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 329021869 MJHGAMAOUXOWBX-RRFJBIMHSA-N 312.413 4.686 30 20 DJED C=CCC[C@H](NC(=O)c1nc(C(C)C)oc1C)c1ccccc1 354209299 SYUBANRWZFIOTO-INIZCTEOSA-N 312.413 4.544 30 20 DJED Cc1ccc(C[C@@H](C#N)Sc2nc(-c3ccccc3)co2)cc1 436255093 WVTGDHBRVSVMKQ-KRWDZBQOSA-N 320.417 4.877 30 20 DJED N#Cc1ccccc1-c1ccc(CN(C#N)c2ccccc2)cc1 440219847 RVLUUQNNYDBQLC-UHFFFAOYSA-N 309.372 4.713 30 20 DJED COc1ccc2c(c1)C[C@@H](C)N(CCCCC(C)(C)C#N)[C@H]2C 444680069 DFMCGMVVVMVCIN-CVEARBPZSA-N 314.473 4.723 30 20 DJED N#CCCC[C@H](NCc1ccnn1C1CCCC1)c1ccccc1 449342209 ZVAUMVFIQDHQQK-FQEVSTJZSA-N 322.456 4.523 30 20 DJED CCc1cc(C#N)c(NC(=O)c2ccc(C(C)(C)C)s2)s1 479048644 FIARWUFXUXMUGI-UHFFFAOYSA-N 318.467 4.793 30 20 DJED C[C@H](N[C@H]1CC[C@H](c2ccc(F)cc2)C1)c1cccc(C#N)c1 479489701 NDGGPJKKMQIZHR-DCPHZVHLSA-N 308.400 4.684 30 20 DJED N#Cc1ccc(/C=C/c2ccc(Br)c(Cl)c2)nc1 491940393 XNJKBLNJITYPRL-DAFODLJHSA-N 319.589 4.540 30 20 DJED C=CCC(CC=C)C(=O)Nc1cccc2oc(C(F)(F)F)nc12 499546905 NPIPKOQDDBIEMM-UHFFFAOYSA-N 324.302 4.554 30 20 DJED C=C(C)CCc1noc(-c2cc(-c3ccccc3Cl)on2)n1 508643111 CXMPFDZKZXBYRP-UHFFFAOYSA-N 315.760 4.554 30 20 DJED Cc1ccc2sc(-c3cccc(OCCCC#N)c3)nc2c1 524263342 KXGFLRMTFFVJIQ-UHFFFAOYSA-N 308.406 4.954 30 20 DJED C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H]2CCCC[C@@H]12 527521586 UWEFRYPFUHRTSR-AYOQOUSVSA-N 324.468 4.529 30 20 DJED N#Cc1ccc(CNc2cccc(N3CCCCCC3)c2)c(F)c1 533445728 NWCIOJCQAHIQAG-UHFFFAOYSA-N 323.415 4.690 30 20 DJED CCCCCN(C(=O)c1ccc(CC#N)cc1)[C@@H](C)CCC 534642524 LZVDOVVPUQXRQS-INIZCTEOSA-N 300.446 4.574 30 20 DJED C[C@H](N[C@H]1c2ccccc2CC[C@@H]1C)c1ccc(C#N)c(F)c1 540918338 ZHLZCRTXFGWCNL-PJSUUKDQSA-N 308.400 4.672 30 20 DJED CCc1nc(C(C)C)ccc1CN(CCC#N)CC(C)(C)C 549464139 JPYYAPPIIKZUCW-UHFFFAOYSA-N 301.478 4.529 30 20 DJED CCCC(C)(C)N(Cc1ccc(C#N)cn1)Cc1cccs1 569468967 KLZPXQPQLGUCLH-UHFFFAOYSA-N 313.470 4.596 30 20 DJED COc1ccc(CN(Cc2ccc(CC#N)cc2)C(C)(C)C)cc1 574940414 HWGXTTGACFYGMQ-UHFFFAOYSA-N 322.452 4.562 30 20 DJED N#CCCSc1ccccc1NC(=O)c1cccc(C2CC2)c1 574998924 BDXOHVWYDOULMB-UHFFFAOYSA-N 322.433 4.822 30 20 DJED CCOc1cccc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c1 611392104 GKKUTMPCLZSJAO-YCRPNKLZSA-N 320.436 4.685 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)c1c(C)oc(C)c1C 676120506 TWMIHGZYWHVJCI-UHFFFAOYSA-N 323.845 4.748 30 20 DJED Cc1ccc(C)c(C(=O)/C=C/c2cccc(OCCCC#N)c2)c1 726742909 ZDJGXYBXKQZBMR-ZHACJKMWSA-N 319.404 4.882 30 20 DJED C=CCOc1ccc(/C=C\C(=O)c2cccc(O)c2)cc1Cl 727263471 CZRQHUBSRZDFMU-VURMDHGXSA-N 314.768 4.507 30 20 DJED O=C1/C(=C/c2cc3cc(F)ccc3o2)CCOc2ccccc21 741840941 HNQIQYRCLIBABM-ZRDIBKRKSA-N 308.308 4.621 30 20 DJED CCCCCC[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 741883858 TZBSFIUNDWNGGG-LBPRGKRZSA-N 304.459 4.653 30 20 DJED O=C(/C=C/c1cccc(C(F)(F)F)c1)c1ccc(Cl)nc1 759084735 WZWVELBQWCUPQQ-GQCTYLIASA-N 311.690 4.650 30 20 DJED C#CCC(C)(C)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C 767077415 OZZKFCWHASUAQI-AWEZNQCLSA-N 303.471 4.874 30 20 DJED COc1cc(C)c(C(=O)/C=C\c2cscc2Cl)cc1OC 771860290 QKZVJUNTYPTBGT-PLNGDYQASA-N 322.813 4.623 30 20 DJED C#CCCCCC(=O)Nc1ccccc1SC1CCCC1 773232303 MFNTYUZRKJFMFZ-UHFFFAOYSA-N 301.455 4.853 30 20 DJED C=C(CC)COC(=O)c1csc(-c2ccccc2Cl)n1 773504718 GKMADQTZTWGTTA-UHFFFAOYSA-N 307.802 4.587 30 20 DJED CN(CCC#N)c1ccc(CNc2ccc(C3CCC3)cc2)cc1 785547307 MMNNVBJUSWBOOS-UHFFFAOYSA-N 319.452 4.916 30 20 DJED C=CCC[C@H](N[C@H](C)C[C@@H](O)c1ccc(F)cc1)c1ccco1 789743681 JMNWOMFJLNMHMI-FHLIZLRMSA-N 317.404 4.528 30 20 DJED CCCCCCCCCC(=O)[C@H](C#N)c1cnc2ccccc2n1 792107686 HDMHQFUFJHHZLY-MRXNPFEDSA-N 323.440 4.947 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N1CCC[C@@](C)(O)CC1 792594278 NZRNZMSNYCCHQJ-PKOBYXMFSA-N 311.510 4.527 30 20 DJED C#C[C@H](N[C@H](C)CCCC(F)(F)F)c1ccc(Cl)cc1 811516517 NZMHRTZROMIRSD-RISCZKNCSA-N 303.755 4.725 30 20 DJED CC(=NNc1ccc(Cl)cc1Cl)c1csc(C)n1 812433945 WFDHWBBEYCOBDQ-UHFFFAOYSA-N 300.214 4.594 30 20 DJED CCCC[C@@H](C)N(CCCC)C(=O)Cc1ccccc1CC#N 818925416 ZZLVFVFJRRGWOY-QGZVFWFLSA-N 314.473 4.503 30 20 DJED CCCCCCCCC[C@H](C)CC(=O)N1CCC[C@H](O)CC1 819318822 UXPBAENJDUMVRY-ROUUACIJSA-N 311.510 4.527 30 20 DJED CC(C)CCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915085806 ONXLEJXYHHLXFP-LJQANCHMSA-N 306.409 4.717 30 20 DJED CC(CCc1ccc(C)cc1)=NNc1ccc(C(F)(F)F)cn1 920363442 ZNMHLWTVAPUBHR-UHFFFAOYSA-N 321.346 4.829 30 20 DJED O=C1/C(=C/c2ccc(C(F)(F)F)cc2)COc2c(F)cccc21 921267230 ZFRJOMJNJIIHSW-DHZHZOJOSA-N 322.257 4.503 30 20 DJED CC(C)[C@](C)(Cc1ccc(Cl)cc1)NCC1(CC#N)CC1 1170581693 COOKWDZFHFRQHM-KRWDZBQOSA-N 304.865 4.581 30 20 DJED C[C@H](Nc1cccc(F)c1C#N)c1ccc(F)cc1OC(F)F 1319901221 SAAULAAHCGEEKH-VIFPVBQESA-N 324.277 4.611 30 20 DJED C[C@@H](Nc1ncc(C#N)cc1F)c1cc(Cl)ccc1Cl 1458331525 IWCKZGYYBRTOQY-MRVPVSSYSA-N 310.159 4.572 30 20 DJED CCC[C@H](CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)OC 1462082441 RYOZMCKQJJGNFO-HRAATJIYSA-N 322.452 4.691 30 20 DJED C[C@@H](CC(C)(C)C#N)NCC1(c2ccc(C(F)(F)F)cc2)CC1 1462098095 VFMGBCRFJBQAQO-ZDUSSCGKSA-N 324.390 4.655 30 20 DJED Cc1ccc(CNc2cc(C#N)ccc2OC(C)C)c(Cl)c1 1560497218 GHHCGAKMTXECIF-UHFFFAOYSA-N 314.816 4.919 30 20 DJED CCc1ccccc1CCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 1615608223 ZWENMTWVQPVXNE-FGZHOGPDSA-N 318.464 4.563 30 20 DJED CC(C)Oc1ccccc1[C@H](C)NCCC1(C#N)CCCCC1 1616763905 NQACUKLCFZWHHG-KRWDZBQOSA-N 314.473 4.989 30 20 DJED Cc1cc(N[C@H](CC2CCCC2)c2ccccc2)ncc1C#N 1639673359 LRQOEECMRQFDPS-LJQANCHMSA-N 305.425 4.995 30 20 DJED CC(C)(C)c1cc(Oc2ccnc(C#N)n2)cc(C(C)(C)C)c1 1641960952 BBLRSDIOHARQMK-UHFFFAOYSA-N 309.413 4.736 30 20 DJED N#Cc1nc(NCC2(c3ccccc3)CCCC2)ccc1Cl 1642022215 YZFFFCXRHDCFHM-UHFFFAOYSA-N 311.816 4.531 30 20 DJED N#Cc1cccc(SCc2cc(O)cc(C(F)(F)F)c2)c1 1651840491 QOPGDYRVVKVTBP-UHFFFAOYSA-N 309.312 4.575 30 20 DJED CC(C)Oc1ccc(CNc2cc(C#N)ccc2OC(C)C)cc1 1656391112 ROTXWONWGSEHJR-UHFFFAOYSA-N 324.424 4.745 30 20 DJED Cc1cc(CN2CC3(CCCC3)[C@@H]2c2ccccc2)ccc1C#N 1659395470 PDAHQMOZDVEOIC-NRFANRHFSA-N 316.448 4.984 30 20 DJED CC(C)(C)C[C@@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1 1666934478 KDLBHPNQOUMZON-GOSISDBHSA-N 321.424 4.857 30 20 DJED C=C(C)CN(CC)C(=O)c1sc2cc(F)ccc2c1Cl 22342513 OMZVVDYYTGMMNN-UHFFFAOYSA-N 311.809 4.732 30 20 DJED CC(C)c1ccc(S[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 27682777 HMQKJJQXBKEYLK-AWEZNQCLSA-N 324.449 4.801 30 20 DJED N#Cc1ccc(F)c(CSc2cccc(Br)c2)c1 55307721 PINFAHJBIFAZIU-UHFFFAOYSA-N 322.202 4.752 30 20 DJED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3)c2)cc1 58543639 LKZTVWXGBDWOGS-UHFFFAOYSA-N 314.344 4.603 30 20 DJED CCCCCCCC(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1 100296814 DBLQOSNBEFTPAA-OAHLLOKOSA-N 318.461 4.514 30 20 DJED O=C(/C=C/c1cncs1)c1ccc(-c2ccc(F)cc2)s1 129994992 CPEHULTYFMEBCM-AATRIKPKSA-N 315.394 4.907 30 20 DJED CCCc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)cc1 141902494 YDWKVXKOUZXPLE-UHFFFAOYSA-N 322.408 4.574 30 20 DJED CC[C@@H](CC#N)NC(=O)Nc1ccc(SC2CCCC2)cc1 157103564 DIDIRWHEDZYKOO-ZDUSSCGKSA-N 317.458 4.535 30 20 DJED COc1cc(CSCCCC(C)(C)C#N)ccc1SC 161773192 FZXZGOFRXBMKKF-UHFFFAOYSA-N 309.500 4.980 30 20 DJED Cc1c(C#N)cccc1NC(=O)N1CCCCC[C@H]1c1ccco1 178573692 ZESICBJKNAXFMA-KRWDZBQOSA-N 323.396 4.609 30 20 DJED CC1CCC(CNc2ccc(C#N)c(Br)c2)CC1 228186994 GDNLXVHQNBAGDH-UHFFFAOYSA-N 307.235 4.559 30 20 DJED CC(C)(C#N)CCCCSc1nnc(-c2ccccc2)o1 277721397 OIOJGNXAYYOVHS-UHFFFAOYSA-N 301.415 4.549 30 20 DJED CC(C)Oc1ccccc1CNc1ccc2cc(C#N)ccc2n1 301957042 ACEFEIKGWODLRG-UHFFFAOYSA-N 317.392 4.506 30 20 DJED N#Cc1cccc(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1 303417552 XDOMYFKLAFVIBW-OAQYLSRUSA-N 315.420 4.767 30 20 DJED CC(C)[C@H]1CCC[C@H](Nc2ccc(C#N)c(Br)c2)C1 312034721 ZHCXWHHZSLOBCS-JSGCOSHPSA-N 321.262 4.947 30 20 DJED O/C(=N/[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cc2ccccc2c(O)n1 329035894 REMIYYZAMVDOLN-OFQRWUPVSA-N 324.424 4.604 30 20 DJED CSc1ccc([N+](=O)[O-])c(/C(O)=N/C2(C)CCC(C)CC2)c1 330766546 VHWWXCHQVYOYCV-UHFFFAOYSA-N 322.430 4.590 30 20 DJED CC(C)c1cccc(C(C)C)c1NC(=O)N[C@H]1CCC[C@H]1C#N 334029133 ZMTVKIYNKSKNHV-YOEHRIQHSA-N 313.445 4.747 30 20 DJED C[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccc(C2CC2)cc1 416828122 GFHSBZZAVFFLQC-AWEZNQCLSA-N 319.408 4.513 30 20 DJED C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(C2CC2)cc1 417354526 MBRFOPFPIULSJG-QKKBWIMNSA-N 302.421 4.774 30 20 DJED N#Cc1csc(C(=O)Nc2cccc(-c3cccs3)c2)c1 437550608 WFFIKSVBVFLGJT-UHFFFAOYSA-N 310.403 4.601 30 20 DJED CCN(C(=O)[C@H]1CC[C@H](CC)CC1)[C@@H](C)c1ccc(C#N)cc1 439097409 FGWVRVNPDQKGMG-BXWFABGCSA-N 312.457 4.684 30 20 DJED C[C@H](SCc1cnn(-c2ccccc2)c1)c1ccc(C#N)cc1 468827971 CUAXVWQWGDTYHF-HNNXBMFYSA-N 319.433 4.738 30 20 DJED CC[C@H](Cc1ccc(Cl)cc1Cl)N[C@@H]1CC[C@@H](C#N)C1 471611827 RKHIBOGBCYEGGW-KCPJHIHWSA-N 311.256 4.596 30 20 DJED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccsc1Cl 483263061 CCZHWIHYVKCYEA-HOTGVXAUSA-N 316.857 4.673 30 20 DJED C[C@H](SCc1ccc(F)cc1C#N)c1ccc(F)c(F)c1 488551060 GJRNMPSKVQUZFI-JTQLQIEISA-N 307.340 4.970 30 20 DJED N#C[C@H](NC(=O)CC1=CCCCC1)c1c(Cl)cccc1Cl 505539762 JBLPIWBJZUPCFK-AWEZNQCLSA-N 323.223 4.565 30 20 DJED CCCC[C@H](CC)CC(=O)N(CCC#N)c1ccc(F)cc1 516112055 QAUOKPFSYGOMJH-HNNXBMFYSA-N 304.409 4.679 30 20 DJED CCCC[C@H](NCc1ccccc1C#N)c1ccc(OC)cc1 537102490 FPYMBHIGBQIKOI-FQEVSTJZSA-N 308.425 4.588 30 20 DJED C=CCCO[C@H](C)c1nc([C@H](c2ccc(C)cc2)C(C)C)no1 579884709 OKHWSQWHKNRJDO-WBVHZDCISA-N 314.429 4.820 30 20 DJED C=CCCOCCCCc1nc(C2CCC(C)(C)CC2)no1 583467133 NRTJORUCJZCDHG-UHFFFAOYSA-N 306.450 4.669 30 20 DJED C=CCCC(=O)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1 588031057 KHFNSEAMFUZBIZ-CQSZACIVSA-N 313.372 4.761 30 20 DJED CC(C)Oc1ccc(-c2ccc(C3(C#N)CCOCC3)cc2)cc1 596637510 YKSQARIEVDILAU-UHFFFAOYSA-N 321.420 4.713 30 20 DJED CCN(C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)[C@@H](C)c1ccc(C#N)cc1 603528726 LHTQYJDMQQCZTQ-IPELMVKDSA-N 324.468 4.706 30 20 DJED N#Cc1cccc(CSCc2ccc(OC(F)F)cc2)c1 609238022 PQYJSOQLFXZGBV-UHFFFAOYSA-N 305.349 4.593 30 20 DJED C[C@H](CCC(C)(C)C)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 609926836 KJOJTOBLPRTMDR-CQSZACIVSA-N 315.461 4.824 30 20 DJED CC[C@H]1CCC[C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 610140786 QFBOZXMOZALMOF-WMLDXEAASA-N 313.445 4.578 30 20 DJED CCOc1ccc(/C=C2/Cc3ccc(C)cc3C2=O)cc1OCC 730948555 HNQVWFSNWINELD-BOPFTXTBSA-N 322.404 4.615 30 20 DJED CCc1ccccc1NN=C(CC1CCCCC1)c1ncccn1 733901176 FOJQIJWSMFXXIB-UHFFFAOYSA-N 322.456 4.826 30 20 DJED C=C(Cl)CNC(=O)c1cc2sc3ccccc3c2s1 736242810 RJSCZVPYOYUFPC-UHFFFAOYSA-N 307.827 4.598 30 20 DJED CC(=NNc1cccc(C)c1)c1ccc(-c2ccncc2)cc1 745193165 HTLCAPGVJNNZSK-UHFFFAOYSA-N 301.393 4.893 30 20 DJED C[C@@H](CC#N)OC(=O)c1ccc(Oc2ccccc2Cl)cc1 747118162 JMQBKFLJECIZRX-LBPRGKRZSA-N 315.756 4.591 30 20 DJED C=CCCCC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 748309922 NZANCJJPMGDFCD-UHFFFAOYSA-N 307.262 4.636 30 20 DJED CC(=NNc1nc(-c2ccccc2C)cs1)c1ccccc1 749262234 KDUXEXALVZAYLK-UHFFFAOYSA-N 307.422 4.955 30 20 DJED Cc1ccc(-c2nc(/C=C3/Cc4c(C)cccc4C3=O)co2)cc1 749891564 MWUBUZSWXKLHOT-YBEGLDIGSA-N 315.372 4.781 30 20 DJED Clc1ccc(-c2ccc(C=NOC3CCOCC3)s2)cc1 774452665 MFIYWTHHSIZYQI-UHFFFAOYSA-N 321.829 4.598 30 20 DJED CC(CCc1n[nH]c2ccccc12)=NNc1cc(C)cc(C)c1 782223055 JZOQNZHNSRXNDC-UHFFFAOYSA-N 306.413 4.600 30 20 DJED O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1cncs1 787171780 PQQAJYXATPWCQU-FNORWQNLSA-N 315.781 4.953 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1ccsc1Cl 790216184 OONPTKKGEOYZEM-AATRIKPKSA-N 308.834 4.692 30 20 DJED C=CCC[C@@H](NC(=S)Nc1ccsc1)c1ccccc1 790316237 DTCWEEXWIHRKLL-OAHLLOKOSA-N 302.468 4.742 30 20 DJED Cc1ccc(/C=C\C(=O)c2cc(C)c(C)o2)c(-c2cnn(C)c2)c1 802706600 SQPBRXCEOQYDGK-FPLPWBNLSA-N 320.392 4.501 30 20 DJED FC(F)(F)c1ccc(CON=Cc2ccc(Cl)o2)cc1 814882884 ZWTTUEILHBRKOB-UHFFFAOYSA-N 303.667 4.503 30 20 DJED CC(C)(C)c1ncc(/C=C\C(=O)c2ccc(C(F)F)nc2)s1 853009073 FFNYXSJQGOTKKB-ALCCZGGFSA-N 322.380 4.669 30 20 DJED CC(F)(F)CCC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 915801376 DDHCNVSJQGJVSF-UHFFFAOYSA-N 315.319 4.566 30 20 DJED Cc1ccc2c(c1)C/C(=C\c1cc(Br)cs1)C2=O 921263487 FCJOJDGNECYGET-IZZDOVSWSA-N 319.223 4.641 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2ccsc2C(F)F)cc1 930979652 NLBPSNCQZJJMGH-UHFFFAOYSA-N 320.364 4.555 30 20 DJED COCc1cccc(Nc2c(C#N)cnc3c(Cl)cccc23)c1 1162095397 PORCVXKBSBJREQ-UHFFFAOYSA-N 323.783 4.650 30 20 DJED N#Cc1ccc(CCSC2CCC(C(F)(F)F)CC2)cc1 1307342725 MHCIFZMCEIGYSY-UHFFFAOYSA-N 313.388 4.955 30 20 DJED C=CCCO[C@@H](C)c1nc(Cc2ccc(C(C)(C)C)cc2)no1 1320308398 SYLNGKQISRBCOX-AWEZNQCLSA-N 314.429 4.612 30 20 DJED N#Cc1nc(N[C@H](c2ccc(F)cc2)C2CCC2)ccc1Cl 1458174308 VZKSTDZHNSNYPM-KRWDZBQOSA-N 315.779 4.699 30 20 DJED CC[C@@H](OC(=O)C1(C#N)CCCCC1)c1ccc(C)c(F)c1 1458492140 YQQNYQMDDOBHMF-MRXNPFEDSA-N 303.377 4.603 30 20 DJED Cc1c(C#N)cccc1NC(=O)N[C@H](c1ccccc1)C(C)(C)C 1465873265 QDWHKYJHHVXTOJ-GOSISDBHSA-N 321.424 4.776 30 20 DJED N#Cc1cc(C(=O)Nc2ccccc2-c2ccccc2)cs1 1521494709 HWBDKPMPXWIAEQ-UHFFFAOYSA-N 304.374 4.539 30 20 DJED Cc1csc(NC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)c1C#N 1525497514 DUYUDLIZVCHOAD-DGCLKSJQSA-N 304.459 4.719 30 20 DJED N#CCSc1cccc(C(=O)Nc2cccc(C3CCC3)c2)c1 1544702847 DQVZZSNAPIGWBJ-UHFFFAOYSA-N 322.433 4.822 30 20 DJED CC(C)c1cc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c2ccccc2n1 1584703781 YDDLQIMXLIOYLU-GJZGRUSLSA-N 322.408 4.597 30 20 DJED C[C@H](c1cc(F)ccc1F)N1CC=C(c2ccc(C#N)cc2)CC1 1616900065 YEPJMVCGKNHWKE-CQSZACIVSA-N 324.374 4.687 30 20 DJED Cc1ccccc1C1CC(N[C@@H]2CCCc3cc(C#N)ccc32)C1 1621396654 PEYTZKINDUFGAH-OBFZPWGMSA-N 316.448 4.780 30 20 DJED N#Cc1cccc(SC[C@@H](O)c2ccc(Cl)cc2Cl)c1 1640957287 MGSAXQMYOPHJNY-OAHLLOKOSA-N 324.232 4.691 30 20 DJED Cc1ccc(CNc2ccc(C#N)cn2)c(O[C@@H](C)CC(C)C)c1 1642442026 VBLWJVKCSCZBGS-INIZCTEOSA-N 323.440 4.687 30 20 DJED C=C(Br)CN1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 1642618149 TXJSAIZYHQIZND-INIZCTEOSA-N 322.290 4.583 30 20 DJED CCc1ccc(CN(Cc2ccc(F)cc2C#N)CC(C)C)cc1 1646368365 YHBLJJIRMVADJB-UHFFFAOYSA-N 324.443 4.918 30 20 DJED Cc1ccc(-n2ncc(N[C@H]3CCC[C@H](C#N)C3)c2C(C)C)cc1 1652190671 RDEIWORMBNCKJF-IRXDYDNUSA-N 322.456 4.798 30 20 DJED CC1(C)CCC(COc2cc(C#N)ccc2Br)CC1 1653009868 DQALXHITNAQNRS-UHFFFAOYSA-N 322.246 4.916 30 20 DJED CCOc1ccc(C#N)cc1NCc1ccc(C(C)(C)C)cc1 1656390508 HVCFGCADWHVYMJ-UHFFFAOYSA-N 308.425 4.867 30 20 DJED CC(C)c1ccc(CCN[C@H]2CCCc3cc(C#N)ccc32)cc1 1658371141 RGDGFEWFWUMIPR-QFIPXVFZSA-N 318.464 4.891 30 20 DJED CC(C)=CCC/C(C)=C\C=NNc1cccc(C(=O)O)c1C 1776086419 SZWHEJQSTZQBAU-QUVZVDGRSA-N 300.402 4.784 30 20 DJED O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1C(F)(F)F 7739212 RWRJKWJCVYBFTQ-JXMROGBWSA-N 321.254 4.510 30 20 DJED C=CCc1cc(/C=C/c2nc3ccccc3s2)cc(OC)c1O 60217510 BXRMZVYLFBDAMH-MDZDMXLPSA-N 323.417 4.909 30 20 DJED N#CCCN(C(=O)c1ccc2ccccc2c1)c1ccc(F)cc1 78380109 UCFZFWRBLQABRZ-UHFFFAOYSA-N 318.351 4.539 30 20 DJED C=CCCO[C@H](C)c1nc(-c2c(Cl)cccc2Cl)no1 109487308 WHYWSECTLQMIIN-SECBINFHSA-N 313.184 4.697 30 20 DJED COc1ccc(OC(C)C)c(N[C@H](C)c2ccc(C#N)cc2)c1 118443338 SAVKGBZVKGNALZ-CQSZACIVSA-N 310.397 4.527 30 20 DJED CCCCOc1ccc(CNc2ccc(CC#N)cc2)cc1OC 236699260 KCKFNEAFHYGURV-UHFFFAOYSA-N 324.424 4.552 30 20 DJED CSc1ccccc1[C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 282114656 AKGRBMLNPVNCGP-STQMWFEESA-N 314.429 4.831 30 20 DJED Cc1cc(C)n(-c2ccc([C@@H](C)Nc3ccc(C#N)cc3)cc2)n1 301679643 RLOPHGPEYCPPRV-MRXNPFEDSA-N 316.408 4.534 30 20 DJED N#Cc1ccc2nc(N3CCC[C@@H]3c3cccc(F)c3)ccc2c1 301974170 BKGMZYOVPAONQQ-LJQANCHMSA-N 317.367 4.587 30 20 DJED COc1ccc2cc(CNc3cccc(CC#N)c3)ccc2c1 313411293 PSLGKPQSCIZPSU-UHFFFAOYSA-N 302.377 4.527 30 20 DJED N#Cc1ccc(N[C@H]2CCc3cc(F)ccc32)c(C(F)(F)F)c1 322309886 KTXSCMCPDNRWLG-HNNXBMFYSA-N 320.289 4.816 30 20 DJED N#CCCCCN[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 362277532 DIFMTYHBZOFUST-HZPDHXFCSA-N 310.363 4.625 30 20 DJED CC(C)c1ccsc1C(=O)Nc1ccc(C#N)cc1Cl 430365268 ZVPGACNMTKFDDH-UHFFFAOYSA-N 304.802 4.649 30 20 DJED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CCCC(C)(C)[C@@H]1C#N 434018783 SFDLRWUVLRTMMC-NUJGCVRESA-N 324.468 4.517 30 20 DJED C=CCC[C@@H](C(=O)N[C@H]1C[C@H](c2ccccc2)C1)c1ccccc1 437407286 OOLZFVCIPANQGH-NJDAHSKKSA-N 319.448 4.799 30 20 DJED C=CC[C@H](C)NC(=O)Nc1cccc(COc2ccccc2)c1C 472888285 NWEHSKBHHQXPEE-HNNXBMFYSA-N 324.424 4.660 30 20 DJED C=CCCCC(=O)Nc1cccc(COC2CCCCC2)c1 479556909 WOHRNIVAHCPYIZ-UHFFFAOYSA-N 301.430 4.831 30 20 DJED C=CCC1(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CCC1 480041979 LBIQRNIUZSSYCN-UHFFFAOYSA-N 314.212 4.687 30 20 DJED Cc1cc(C)cc(Oc2ccc(NC(=O)N[C@@H](C)CC#N)cc2)c1 480294616 SKTJEIRXAYLYNH-HNNXBMFYSA-N 323.396 4.519 30 20 DJED N#Cc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)s1 486800473 JZLOFZLJTOEZMS-UHFFFAOYSA-N 318.357 4.771 30 20 DJED N#Cc1ccc(SCc2c(Cl)cccc2[N+](=O)[O-])c(F)c1 488787705 RGZFYGFVSDMJMK-UHFFFAOYSA-N 322.748 4.551 30 20 DJED C=C(C)CN(CC)C(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 499823336 OXXUIPYGNMTJIW-LBPRGKRZSA-N 314.256 4.597 30 20 DJED CC[C@@H](CC#N)N[C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 517755056 LYJWMZCHXNTJNE-WFASDCNBSA-N 317.820 4.646 30 20 DJED N#Cc1ccc(SCc2cccc(OC(F)F)c2)c(F)c1 524727372 XLLRNRJQSQCWLP-UHFFFAOYSA-N 309.312 4.591 30 20 DJED C=C[C@@H](CC(=O)Nc1cccc2ncccc12)c1ccccc1 533923295 KHYOZRZAMGVSDI-HNNXBMFYSA-N 302.377 4.533 30 20 DJED Cc1ccnc(NC(c2cccs2)c2cccs2)c1C#N 542276977 IFJGOFBIMVXHNE-UHFFFAOYSA-N 311.435 4.586 30 20 DJED C[C@H](NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(C#N)cc1 553759222 HJZFDJNZHGYQGH-JGGQBBKZSA-N 310.363 4.578 30 20 DJED N#C[C@@H]1CC[C@@H](N2CCC(c3c(Cl)cccc3Cl)CC2)C1 555527707 MSRPZBJGASFXLV-TZMCWYRMSA-N 323.267 4.865 30 20 DJED N#CCC1(CNc2ccccc2COCc2ccccc2)CC1 594701463 PQTLLBQJBBWDLE-UHFFFAOYSA-N 306.409 4.509 30 20 DJED C=CCCCCCN(C)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F 606816585 BYZIWDFJZXBOJO-ZIAGYGMSSA-N 305.384 4.560 30 20 DJED Cc1cc(C#N)ccc1OCc1ncc(-c2ccc(Cl)cc2)o1 608886313 GJYMEVCTDQPHSF-UHFFFAOYSA-N 324.767 4.754 30 20 DJED Cc1cccc(-c2nnc(S[C@@H](C#N)C3CCCCC3)o2)c1 609648640 WQAYDMPCSFGPEB-HNNXBMFYSA-N 313.426 4.610 30 20 DJED C[C@@H](NCc1ccc(OC(C)(C)C)cc1)c1cccc(C#N)c1 611469305 GKRQOOXDVZFAEL-OAHLLOKOSA-N 308.425 4.586 30 20 DJED CC(C)(C#N)CNCc1ccc(-c2ccc(Cl)cc2)s1 612585222 SAEUKWFPJVVYNN-UHFFFAOYSA-N 304.846 4.708 30 20 DJED N#C[C@@H]1CCC[C@@H](N[C@@H](c2ccc(F)cc2)c2cccs2)C1 618562231 XLFVUUPXDLBPBJ-QBIMZIAESA-N 314.429 4.649 30 20 DJED C=CCN(C(=O)c1sc(-c2cccs2)nc1C)C(C)(C)C 622943095 NWCKWQWGOIPFKV-UHFFFAOYSA-N 320.483 4.607 30 20 DJED C=C[C@H](CC(=O)N1CCc2ccccc2[C@@H]1CC)c1ccccc1 677552920 SGFQMOFJCWLFNB-UTKZUKDTSA-N 319.448 4.882 30 20 DJED COc1ccc(C(=O)/C=C\c2cnc(-c3ccccc3)s2)cc1 727264751 ZQPWSOFBNNAREP-QXMHVHEDSA-N 321.401 4.715 30 20 DJED CC1(C)CC(=NNc2nccc3sccc23)c2ccoc2C1 731486903 YVPWEHCQDPFHGE-UHFFFAOYSA-N 311.410 4.678 30 20 DJED Cc1cc(C(=O)O[C@H](C)CC#N)sc1-c1cccc(Cl)c1 733710922 MSGQJOOOZYOMLB-LLVKDONJSA-N 319.813 4.836 30 20 DJED CCCCCCCC(=O)N[C@H](C)c1nc2ccccc2s1 734115403 GTRJFKZKZUBLEQ-CYBMUJFWSA-N 304.459 4.834 30 20 DJED CCc1c(C(=O)/C=C\c2ccc(C#N)s2)oc2ccccc12 748999286 QWEACMAPPWAYSK-KTKRTIGZSA-N 307.374 4.824 30 20 DJED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCC2CCC2)cc1 749322303 AHULYWSPHTZNRV-FQEVSTJZSA-N 318.420 4.861 30 20 DJED O=C(/C=C/c1sc2ccccc2c1Cl)c1ccnc(O)c1 752875576 IAKXQFGIWPYEQZ-AATRIKPKSA-N 315.781 4.551 30 20 DJED COc1cc(C#N)ccc1CN[C@@H](C)c1csc2ccccc12 754738042 ZASJQRAWDMOXOC-ZDUSSCGKSA-N 322.433 4.632 30 20 DJED O=C(/C=C\c1ccc(O)c(F)c1)c1cccc(Cl)c1Cl 755592474 IFWWFKLFGWBWPE-XQRVVYSFSA-N 311.139 4.734 30 20 DJED CCSc1ccc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)cc1 755603146 BWNTYWBMSXKVQG-BAQGIRSFSA-N 320.360 4.679 30 20 DJED C/C(=C/c1ccccc1)CN(C)Cc1ccc(O[C@@H](C)C#N)cc1 756120477 IXYOKFHKGDGDRJ-FDWYHIAWSA-N 320.436 4.513 30 20 DJED CC(=NNc1ccc(C#N)c(Cl)c1)c1ccc2ccccc2n1 783877981 PFGSHCMBNPFZEB-UHFFFAOYSA-N 320.783 4.596 30 20 DJED C=CCCCCC[C@@H](C)N[C@H](c1ccccc1)c1nccn1C 793524993 NMITYERAUCEPBX-IEBWSBKVSA-N 311.473 4.624 30 20 DJED CCCNc1ccc(C#N)cc1NCc1ccc(Cl)s1 795266339 JIEQXEAHOVFVMW-UHFFFAOYSA-N 305.834 4.707 30 20 DJED C[C@@H](C#N)OCCSCc1ccc(-c2cccs2)cc1 802753336 YRRWKSFNUFUONT-ZDUSSCGKSA-N 303.452 4.577 30 20 DJED C#CC[C@@H](OC(=O)c1cc2cccc(C)c2s1)c1ccccn1 808983719 WKWHSMSBXSHEDR-MRXNPFEDSA-N 321.401 4.526 30 20 DJED Cn1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c(C(F)F)n1 812239683 AHAOPBYVRLNOIK-JXMROGBWSA-N 318.367 4.551 30 20 DJED CCC(=NNc1ccnc2cc(Cl)ccc12)c1cccc(N)c1 814693983 QOBYACGQSPEFMX-UHFFFAOYSA-N 324.815 4.697 30 20 DJED Cc1cccc([C@@H](C)[S@](=O)CCCCC2(C#N)CCC2)c1 899394326 GKVSLHAIXVXHKE-IIBYNOLFSA-N 303.471 4.669 30 20 DJED C=CCn1c(SCCCCCC)nnc1-c1ccoc1C 915790668 GWHSMEHMROFZGI-UHFFFAOYSA-N 305.447 4.705 30 20 DJED O=C(/C=C\c1ccsc1)c1ccc(OCC(F)(F)F)cc1 920480821 OAXSRCAXEDKTRG-BHQIHCQQSA-N 312.312 4.585 30 20 DJED C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1nc(-c2ccccc2)cs1 925377628 QUNIHKCSWYUXCY-KBPBESRZSA-N 313.470 4.789 30 20 DJED Cc1cc(C)cc([C@H](NCC(C)(C)CCC#N)c2cccnc2)c1 926426636 LAOGKLLCGXTTGJ-HXUWFJFHSA-N 321.468 4.707 30 20 DJED O=C(/C=C/c1ncc(-c2ccccc2)[nH]1)c1cccc(Cl)c1 1116019902 AATZDMGFNVQJDF-MDZDMXLPSA-N 308.768 4.626 30 20 DJED CCCCc1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1 1124494503 MBKZTTJODAPVJZ-UHFFFAOYSA-N 318.420 4.571 30 20 DJED N#Cc1ccccc1Oc1ccc(NC(=O)CCCC2CC2)cc1 1125368475 NKCSCUXWNQDAKS-UHFFFAOYSA-N 320.392 4.869 30 20 DJED C[C@@H](OC(=O)c1ccc(CC#N)cc1)c1ccc2c(c1)CCCC2 1127387241 VBXWCNNUAXEUOU-OAHLLOKOSA-N 319.404 4.549 30 20 DJED CC(C)(C)[C@@H]1CCC[C@H](NC(=O)[C@]2(C#N)CC23CCCC3)CC1 1128157340 QLUKVVVKXQYJHH-GQIGUUNPSA-N 316.489 4.572 30 20 DJED CC[C@H](C#N)C(=O)N[C@H](c1ccccc1C)C1CCC(C)CC1 1144715314 FHSUJSIRTXUOQD-BVSRCJTMSA-N 312.457 4.528 30 20 DJED Cc1ccc([C@H]2C[C@H](C)CCN2Cc2cccc(C#N)c2F)o1 1167517525 QOMKRKDTDFLFIW-CXAGYDPISA-N 312.388 4.572 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1CCC(Cc2ccc(F)cc2)CC1 1190690782 JRRQRVFXMMYOGX-INIZCTEOSA-N 322.427 4.713 30 20 DJED CC[C@H](OC(=O)C1(C#N)CCCCC1)c1ccc(C)c(F)c1 1266902835 YQQNYQMDDOBHMF-INIZCTEOSA-N 303.377 4.603 30 20 DJED Cc1cc(SCc2cc(-c3ccccc3)no2)ccc1C#N 1307362611 UWOJDBPAEWIPNR-UHFFFAOYSA-N 306.390 4.814 30 20 DJED N#CC1(NC(=O)c2ccc3c(c2)oc2ccccc23)CCCCC1 1327857844 GPDHUFAPHWNLIG-UHFFFAOYSA-N 318.376 4.542 30 20 DJED C[C@@H]1CCC[C@@H](OC(=O)c2ccccc2-c2ccccc2C#N)C1 1349839577 FEKGBIRVKMALHC-NVXWUHKLSA-N 319.404 4.961 30 20 DJED N#Cc1cc(NC(=O)C2=C(c3ccccc3)CCCC2)ccc1F 1435015445 KVWVSTUGPHKXII-UHFFFAOYSA-N 320.367 4.664 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)Nc1ccc(C#N)c(F)c1 1436590181 WQQJSQHBUIERNQ-AWEZNQCLSA-N 302.393 4.632 30 20 DJED CC(C)(C)Cc1ccccc1C(=O)Nc1cc(F)cc(C#N)c1 1438461801 GZHOAPKMEHHIOR-UHFFFAOYSA-N 310.372 4.538 30 20 DJED N#Cc1ccc(N[C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)nc1 1458428601 AWIRXVOBFFYLMU-NVXWUHKLSA-N 311.816 4.745 30 20 DJED CC(C)C[C@H](C(=O)O[C@H](C)c1cccc(C#N)c1)c1ccccc1 1518199120 KYVDYKWARTUMCT-UZLBHIALSA-N 321.420 4.992 30 20 DJED CSc1ccccc1[C@H](C)OC(=O)c1cc(C#N)ccc1C 1540005435 JNQJPTRBLUDZOK-ZDUSSCGKSA-N 311.406 4.507 30 20 DJED Cc1ccc(C[C@H]2CCCN([C@H](C)c3cccc(C#N)c3)C2)cc1 1559511135 FMECDNCTDBRMMB-WIYYLYMNSA-N 318.464 4.882 30 20 DJED CCCC[C@H](CC)CCCN(C)C(=O)c1ccc(C#N)cc1F 1587746786 CYPVVSSRQNTGTF-HNNXBMFYSA-N 318.436 4.766 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)[C@@H](C)C(C)(C)C)c2C#N)[C@@H](C)C1 1588272169 YAAPKXUQKQWRLT-SDDRHHMPSA-N 318.486 4.926 30 20 DJED CC(C)(CC#N)CNC(=O)Nc1ccc(Oc2ccccc2)cc1 1622704980 DLOYODUBDNLMOC-UHFFFAOYSA-N 323.396 4.540 30 20 DJED C[C@H](c1cccc(C#N)c1)N1CCC(C)(c2ccccc2)CC1 1653806159 YAMNXZGTAHHQMB-QGZVFWFLSA-N 304.437 4.673 30 20 DJED C[C@H](C#N)CNCc1ccccc1Oc1ccc(F)c(Cl)c1 1658141152 UWCZHJZGYKJWQE-GFCCVEGCSA-N 318.779 4.521 30 20 DJED N#Cc1cc(F)ccc1CNC(C1CCCC1)C1CCCC1 1660274321 GTYOBUBWXCITIN-UHFFFAOYSA-N 300.421 4.536 30 20 DJED C[C@H](N[C@H](C)CCc1c[nH]c2ccccc12)c1cccc(C#N)c1 1665650481 DXBYZWBMGNICNE-CVEARBPZSA-N 317.436 4.711 30 20 DJED Cc1c(NN=C2CCCC23CCCCC3)cccc1C(=O)O 1776087986 IYDPQBWCUQRURX-UHFFFAOYSA-N 300.402 4.596 30 20 DJED CC(C)C[C@H](/N=C(\O)CC(C)(C)CC(=O)O)c1ccccc1 29010552 SEBZUFJUDMHJIU-HNNXBMFYSA-N 305.418 4.621 30 20 DJED N#CCCCOc1cccc(NCc2ccccc2Cl)c1 37777430 SIJMTICNHINLDV-UHFFFAOYSA-N 300.789 4.635 30 20 DJED C=C(Cl)COc1ccc([C@@H](C)NCc2cccs2)cc1 156538387 PAKGZOAFYYRHLL-CYBMUJFWSA-N 307.846 4.730 30 20 DJED N#C[C@H](C(=O)CCC1CCC1)c1nc2cc(Cl)ccc2s1 175120432 GNIYZQYSUMLVNA-GFCCVEGCSA-N 318.829 4.706 30 20 DJED CCOc1ccccc1[C@@H](CC)N[C@H](C)c1ccc(C#N)cc1 179754438 DYWFQXWLYOBARD-DNVCBOLYSA-N 308.425 4.759 30 20 DJED COc1ccc([C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)C2CC2)cc1 271937444 NPTHGRBPMQHHBF-XCLFUZPHSA-N 324.399 4.508 30 20 DJED CC(C)C(C)(C)C(=O)Nc1ccccc1SC[C@H](C)C#N 275810648 MFHWNVGMKNEVBD-CYBMUJFWSA-N 304.459 4.559 30 20 DJED CC(C)[C@H](Nc1ccc(C#N)cn1)c1ccc(C(F)(F)F)cc1 301800212 SKJHNZAFDUYCTR-INIZCTEOSA-N 319.330 4.781 30 20 DJED CC1(C)CC[C@@H](C/N=C(/O)c2ncoc2C2CC2)c2ccccc21 329040969 SSBVLRAVXMLUDM-AWEZNQCLSA-N 324.424 4.712 30 20 DJED C=CCC1(C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc23)CCC1 431166479 KNWRZJRFXFGDBN-RBUKOAKNSA-N 305.421 4.558 30 20 DJED Cc1cccc(COc2cccc(N[C@H]3CC[C@@H](C#N)C3)c2)c1 442864469 ZTMYUVZQOWDDJR-APWZRJJASA-N 306.409 4.678 30 20 DJED CCN(CCCCC(C)(C)C#N)[C@H](C)c1cccc(OC)c1 444601811 ZOVJJMPBPMOOBG-MRXNPFEDSA-N 302.462 4.798 30 20 DJED CC1(C#N)CCC(NCCc2cccc(Cl)c2Cl)CC1 449088493 YXMAMDCMSBFMHA-UHFFFAOYSA-N 311.256 4.598 30 20 DJED CC#CCCCC(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 464566788 CCOHPNGYUKSAFJ-SNVBAGLBSA-N 316.203 4.503 30 20 DJED C=CCCN(C)C(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 466580577 DYQKPHCQGHFNFB-INIZCTEOSA-N 324.424 4.866 30 20 DJED C=CC[C@@H]1N(C(=O)[C@@H]2C[C@H]2c2sccc2C)CCCC1(C)C 470279613 LJWCVLQGPBFZPH-OAGGEKHMSA-N 317.498 4.753 30 20 DJED C=CCC[C@H](NCc1nc(CCC)cs1)c1ccccc1 494163497 MRMNAGJACPBTMN-KRWDZBQOSA-N 300.471 4.893 30 20 DJED CC(C)(C#N)CC(=O)Nc1cccc(CCCc2ccccc2)c1 495305408 SAJLXRGDYDMHNR-UHFFFAOYSA-N 320.436 4.740 30 20 DJED CC(C)(C)CCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 505330865 MUORESUTCBMBAM-LBPRGKRZSA-N 313.228 4.501 30 20 DJED CC[C@@H](CC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)C 521525574 PVTZFMYMNAWYOM-LBPRGKRZSA-N 304.459 4.509 30 20 DJED C[C@@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)[C@H]2CCCC[C@@H]21 526981155 LWDXZRXPNXBBST-MDNKFWRPSA-N 324.468 4.501 30 20 DJED C=CCN(C(=O)Nc1ccc(-c2ccccc2)cc1C)C1CC1 537862909 TUJOBPGDEVDUPG-UHFFFAOYSA-N 306.409 4.844 30 20 DJED CCC(CC)[C@H](NCc1ccc(C#N)s1)c1cccs1 538393196 OSVVPYZOIBDEMQ-INIZCTEOSA-N 304.484 4.948 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1ncc(C(C)C)s1 543393500 GOKTZYPPMQETSA-UHFFFAOYSA-N 313.470 4.550 30 20 DJED C=CCC(CC=C)c1nc(-c2cccc(CN3CCCC3)c2)no1 546391863 AEOYUDFVJMVPQS-UHFFFAOYSA-N 323.440 4.568 30 20 DJED Cc1ccc2sc(C(=O)N(CCC#N)CCC(C)C)cc2c1 555051865 XGUGFNFGHYGIRV-UHFFFAOYSA-N 314.454 4.612 30 20 DJED C=CCCCCN[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 570527495 UADYNRATWKHZKJ-KRWDZBQOSA-N 322.452 4.946 30 20 DJED CN(Cc1ccc(-c2cccc(F)c2)s1)CC(C)(C)C#N 577225285 OVVHBGVOIREHMM-UHFFFAOYSA-N 302.418 4.536 30 20 DJED C=CCOc1cccc(CN[C@H](c2ccccc2)C2CCC2)c1 591699403 SXTQKXHYHFHGSO-OAQYLSRUSA-N 307.437 4.882 30 20 DJED N#CC[C@@H]1CCCN(Cc2ccc(-c3ccccc3F)s2)C1 597173220 GYPMEYQEBAWMOS-AWEZNQCLSA-N 314.429 4.680 30 20 DJED Cc1sc(NC(=O)C[C@@H](C)c2ccc(F)cc2)c(C#N)c1C 604110708 VUAOSOSCHCKGDA-SNVBAGLBSA-N 316.401 4.508 30 20 DJED C[C@@H](C#N)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 609921144 NUHPSVVNCXFYPL-NSHDSACASA-N 316.813 4.589 30 20 DJED CC(C)(CCC#N)CNCCCc1cccc(C(F)(F)F)c1 610270696 AJIVGKAROBZQKR-UHFFFAOYSA-N 312.379 4.558 30 20 DJED N#Cc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1Cl 619748945 UDPAGULEKKRCCT-UHFFFAOYSA-N 324.733 4.520 30 20 DJED C=C(C)[C@@H](NCc1ccc2cnccc2c1)c1ccc(F)c(F)c1 683774915 RPAXFTCNPGXPHL-HXUWFJFHSA-N 324.374 4.920 30 20 DJED N#Cc1ccc(CNCc2ccc(-c3cccc(F)c3)s2)cc1 725845909 PBCZRSWRKPSWEC-UHFFFAOYSA-N 322.408 4.716 30 20 DJED Cc1cccc2c1C/C(=C/c1cccc(OCCCC#N)c1)C2=O 729148848 BLGJSASVFSUZPP-ATVHPVEESA-N 317.388 4.500 30 20 DJED O=C(/C=C\c1ccc(-c2ccc(F)cc2)o1)c1cncc(F)c1 737444901 UTZAYVRQKBNYSN-ALCCZGGFSA-N 311.287 4.516 30 20 DJED O=C(/C=C\c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)COC2 742436011 DOYXFAIZVXVJHR-RJRFIUFISA-N 319.187 4.920 30 20 DJED Cc1cc(C)c(NN=Cc2cccc(OCCCC#N)c2)c(C)c1 743445277 MQIMNXDFVXWMOV-UHFFFAOYSA-N 321.424 4.740 30 20 DJED O=C(/C=C\c1cnc2ccc(Cl)cn12)c1coc2ccccc12 747706681 YGGPFVATDNRUIR-SREVYHEPSA-N 322.751 4.630 30 20 DJED O=C(/C=C\c1cc(Cl)ccc1OC(F)F)c1ccsc1 749105758 XZYRQFOQUPVDBV-IWQZZHSRSA-N 314.740 4.899 30 20 DJED C[C@@H](CC=NNc1ccc(C(F)(F)F)cn1)c1ccccc1 755487350 AXFUOCRHTVVLTA-LBPRGKRZSA-N 307.319 4.692 30 20 DJED COc1ccc2oc(C(=O)/C=C/c3ccccc3C#N)c(C)c2c1 755592430 HXWDYBQVAJKIOL-VQHVLOKHSA-N 317.344 4.518 30 20 DJED CC[C@@H](C)c1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1 756221864 GSDBEXVJZIZQBZ-CZUORRHYSA-N 317.392 4.566 30 20 DJED C#CC[C@@H](NC(=O)N(C1CCC(C)CC1)C1CC1)c1ccccc1 757763922 ULBIXKUGUPIYDL-OUNSHVDWSA-N 324.468 4.504 30 20 DJED Cc1cc(/C=C2/CSc3ccc(F)cc3C2=O)cnc1Cl 760262302 JFQQKGFIGPGUKI-WZUFQYTHSA-N 319.788 4.555 30 20 DJED O=C(/C=C\c1cccc(C(F)(F)F)c1)c1cccc(F)c1F 776267460 AZFLESDVBHFVPI-FPLPWBNLSA-N 312.237 4.880 30 20 DJED Fc1cccc(C2CC(=NNc3nccc4sccc34)C2)c1 781589923 QMTFBQDMHRSJOO-UHFFFAOYSA-N 311.385 4.781 30 20 DJED C/C(=C\c1ccccc1Cl)C(=O)OCCCC(C)(C)C#N 784366050 KEQIZAGCSFIXDH-ACCUITESSA-N 305.805 4.616 30 20 DJED CC(C)Sc1cccc(Cl)c1C=NNCc1ccccc1 786037543 IJXMPFSRVOAOJI-UHFFFAOYSA-N 318.873 4.964 30 20 DJED CC(=NNc1ccnc2cc(Cl)ccc12)c1ccc(C)nc1C 814694176 YUHLVKNKICQIGI-UHFFFAOYSA-N 324.815 4.736 30 20 DJED CSCc1cnc(/C=C\C(=O)c2cc(C)cc(C)c2)s1 834425436 STOKEOZFTWXLBG-PLNGDYQASA-N 303.452 4.519 30 20 DJED C=CC(C)(C)CNC(=S)Nc1c(Cl)ccc(C)c1Cl 840795401 YXUMJFAVLAWNOF-UHFFFAOYSA-N 317.285 4.800 30 20 DJED FC1(F)CCC(=NNc2nc(-c3ccccc3)cs2)CC1 842521157 DNJBEFUKWIETMK-UHFFFAOYSA-N 307.369 4.787 30 20 DJED CCCCOC(=O)c1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1 863997132 OPEDIOCATJWLOS-HNNXBMFYSA-N 322.408 4.688 30 20 DJED CC(C)CCN(CCC(C)C)C(=O)[C@@H](CC#N)c1ccccc1 1124755506 RCIHMNIZZCJAOO-IBGZPJMESA-N 314.473 4.605 30 20 DJED Cc1ccc([C@@H]2CCC[C@@H]2N(C)Cc2cccc(C#N)c2F)cc1 1191216373 ZMZNSBRTXIXUKM-PMACEKPBSA-N 322.427 4.774 30 20 DJED CCC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(Cl)c(C#N)c1 1275983441 LTNVIKHEXURRGV-DZGCQCFKSA-N 318.848 4.548 30 20 DJED CCN(C(=O)CC1(C#N)CCCCC1)c1ccc(Cl)cc1 1289179428 WQXOLRRLQOWRBB-UHFFFAOYSA-N 304.821 4.557 30 20 DJED CC[C@@H](C#N)N(CC)C(=O)CC1CCC(C(C)(C)CC)CC1 1289299946 XOXZZKSAQBGZDW-JCYILVPMSA-N 306.494 4.770 30 20 DJED Cc1ccc(C#N)c(Nc2ccc(N3CCCC[C@@H]3C)cc2C)n1 1307001485 VIQAWQOLJMZDNW-INIZCTEOSA-N 320.440 4.693 30 20 DJED C=CCC[C@@H](C(=O)OCc1ncoc1C(C)C)c1ccccc1 1320476607 IHAXNGQMULGGTI-MRXNPFEDSA-N 313.397 4.591 30 20 DJED C=CCCC[C@@H](C)NC(=O)c1[nH]c2ccc(C)cc2c1Cl 1324922907 CPHPYQIGXIBHBV-GFCCVEGCSA-N 304.821 4.604 30 20 DJED C/C(=C\c1cccc(OCC#N)c1)c1ccc2ccccc2n1 1325205305 OJWPSTMJNRRYOZ-FYWRMAATSA-N 300.361 4.698 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)c(Cl)c1 1358232741 VJPXFORHZAXIHN-GDBMZVCRSA-N 318.848 4.546 30 20 DJED CC(C)Cc1cccc([C@@H](C)C(=O)N(C)c2cccc(C#N)c2)c1 1434872004 SJTNQODELGZTCG-MRXNPFEDSA-N 320.436 4.523 30 20 DJED CCCCc1ccc(Nc2c(C#N)nnc3ccccc23)cc1 1458064205 AXXWWHAQJDCPJS-UHFFFAOYSA-N 302.381 4.588 30 20 DJED Cc1cc(CN2CCc3cc(C(C)(C)C)ccc3C2)ccc1C#N 1461881890 ORKKLPRZAZVURT-UHFFFAOYSA-N 318.464 4.723 30 20 DJED N#Cc1cnc(Sc2nc(C3CCCCC3)cs2)c(F)c1 1472861101 QTYVOAQKDCOHFS-UHFFFAOYSA-N 319.430 4.748 30 20 DJED C[C@H](CCC#N)CN[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 1474576281 KNIIHNCKKGEPRO-QGPMSJSTSA-N 304.865 4.896 30 20 DJED CCC(C#N)(CC)C(=O)OCc1ccc(C(C)(C)CC)cc1 1520640759 OOWRVPFNFAFMKV-UHFFFAOYSA-N 301.430 4.747 30 20 DJED CC[C@@H](C)C[C@@H](C)NC(=O)c1sc2ccc(C#N)cc2c1C 1523513098 YIOUODBLGKBRSB-VXGBXAGGSA-N 314.454 4.636 30 20 DJED CCSc1ccc(Cl)cc1C(=O)O[C@H]1CCC[C@H](C#N)C1 1535479689 XCAMZEHMIQSZOP-AAEUAGOBSA-N 323.845 4.691 30 20 DJED CCC(C)(C)c1ccc(CNCc2ccc(C#N)cc2F)cc1 1560410546 FYLWWRRULGECEA-UHFFFAOYSA-N 310.416 4.675 30 20 DJED Cc1cccc([C@H](C)C(=O)N(c2ccc(C#N)cc2)C2CCC2)c1 1586912200 QZGLZTFVXMQAFT-INIZCTEOSA-N 318.420 4.556 30 20 DJED Cc1ccccc1C(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@@H]2C 1588270412 DKLNDPUWEDFXOJ-YPMHNXCESA-N 324.449 4.866 30 20 DJED CCSc1cccc(CN(CCC#N)CC(CC)CC)c1 1621144942 WRGHGVOMVUQKLA-UHFFFAOYSA-N 304.503 4.950 30 20 DJED Cc1cc(SCc2csc(-c3ccco3)n2)ccc1C#N 1652058138 GIOSVXSLQFTWEF-UHFFFAOYSA-N 312.419 4.876 30 20 DJED C=CCCC(C)(C)CNc1nc2ccccc2c(C)c1C(=O)O 1776165445 VXVLRROSDYAPJK-UHFFFAOYSA-N 312.413 4.646 30 20 DJED O=C(/C=C/c1ccc(Br)cc1)c1cc(F)ccc1F 7717555 ORRSOPSWVRVUDB-FPYGCLRLSA-N 323.136 4.623 30 20 DJED CC(C)Sc1ccc(/C(O)=N/c2nnc(C(C)C)s2)cc1 51120676 QDXCGHIPHCOWER-UHFFFAOYSA-N 321.471 4.798 30 20 DJED C=CCN(Cc1cccc(C#N)c1)Cc1ccccc1OC(C)C 63299763 XPPGXPGFJVATKQ-UHFFFAOYSA-N 320.436 4.534 30 20 DJED C=CCn1c(S[C@H](CC)c2ccc(F)cc2)nnc1C1CC1 77907404 RMOBQNBCVMZUPN-OAHLLOKOSA-N 317.433 4.724 30 20 DJED C=CC[C@H](C)NC(=O)Nc1cccc(COC(C)(C)CC)c1C 78797044 FIQUUQXAORHFKL-AWEZNQCLSA-N 318.461 4.786 30 20 DJED C[C@H](C#N)CSc1ccccc1NCc1cccc(F)c1 108354846 GGZGKMLURUBAGR-CYBMUJFWSA-N 300.402 4.690 30 20 DJED C=CCCC(=O)N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C 153458469 CDEHWIUBSZJGNY-AWEZNQCLSA-N 314.454 4.604 30 20 DJED CCC[C@@H](C(=O)Nc1ccccc1SCCC#N)C(C)C 153994420 QXDBPHZANSSXHS-CQSZACIVSA-N 304.459 4.703 30 20 DJED C=CCC[C@@H](NC(=O)Nc1ccccc1COC)c1ccccc1 155143058 PRWQLRVLMWHTCX-GOSISDBHSA-N 324.424 4.662 30 20 DJED O=C(/C=C/c1cnc(C2CCC2)s1)c1c[nH]c2ccccc12 157236159 IWHSGWFYVWQOQL-CMDGGOBGSA-N 308.406 4.788 30 20 DJED CC(C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)=C1CCCC1 176629556 YYXTXUWFJXHAAH-AWEZNQCLSA-N 323.223 4.565 30 20 DJED C[C@H](NCCCCC#N)c1ccc(OCc2ccccc2)cc1 178640137 PWEHZBPGBISAIP-KRWDZBQOSA-N 308.425 4.610 30 20 DJED Cc1cc(C#N)ccc1CN[C@H](C)c1cccc(OC(C)C)c1 186319625 FIRQYBRBEZXUOG-MRXNPFEDSA-N 308.425 4.505 30 20 DJED C=C(C)[C@H](NCc1ncc(C(C)(C)C)o1)c1ccc(F)c(F)c1 274867862 KALXWLFTBRWRTG-KRWDZBQOSA-N 320.383 4.657 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc(Cl)c1F 341711522 WIXUFUSHUBQIPS-KRWDZBQOSA-N 314.791 4.518 30 20 DJED Cc1ncccc1CNc1ccc(Oc2ccccc2)c(C#N)c1 428405026 MVTMWCMXHWXVKC-UHFFFAOYSA-N 315.376 4.666 30 20 DJED CC[C@H](c1ccccc1)N(CC(C)C)C(=O)CC(C)(C)C#N 429655080 VUKYHQCGUJTJDV-QGZVFWFLSA-N 300.446 4.562 30 20 DJED Cc1oc(C#N)cc1C(=O)Nc1ccc2c(c1)oc1ccccc12 435460723 ZNBRILGOIDKIPY-UHFFFAOYSA-N 316.316 4.611 30 20 DJED C=CCC1(C(=O)N(C)c2nc3cccc(Cl)c3s2)CCC1 436386287 GYQHXEJJKPJIMR-UHFFFAOYSA-N 320.845 4.659 30 20 DJED CN(C(=O)c1ccc(C2CCCCC2)cc1)c1ccc(C#N)cc1 439938600 DPSVEXWWCFWNFB-UHFFFAOYSA-N 318.420 4.883 30 20 DJED C=C[C@H](Cc1nc(-c2c[nH]c3ccccc23)no1)c1ccccc1 445440921 ARICGKCGUXRGEB-CQSZACIVSA-N 315.376 4.730 30 20 DJED CCC(CC)n1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)n1 446765733 PMSDWJXZHOIQRR-UHFFFAOYSA-N 324.472 4.526 30 20 DJED CCC(CC)n1ccc(CNc2ccc(CC#N)cc2Cl)n1 453137831 VSEIGSXYRIUGMA-UHFFFAOYSA-N 316.836 4.576 30 20 DJED CC(C)(CCC#N)CNCC1(c2cccc(F)c2)CCCCC1 462371370 VKFYCSFMXVVSSJ-UHFFFAOYSA-N 316.464 4.947 30 20 DJED C=CCC1(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](CC)C2)CCC1 479873075 NSFDTMWDPBWBJI-PKOBYXMFSA-N 311.469 4.775 30 20 DJED Cc1cc(F)cc(NC(=O)c2sc3ccc(C#N)cc3c2C)c1 482898752 MJLSFFKETOYLTN-UHFFFAOYSA-N 324.380 4.781 30 20 DJED N#Cc1ccc(NC(=O)c2ccc(C3CCC3)cc2)c(Cl)c1 485716510 FDTPQZIMTAXVCM-UHFFFAOYSA-N 310.784 4.731 30 20 DJED C=CCCCCCN(C)C(=O)[C@H](C)Cc1cncc2ccccc12 498578024 RGBHKSMSNXGCJL-QGZVFWFLSA-N 324.468 4.618 30 20 DJED CCCCCc1ccc(NC(=O)NCc2cccc(C#N)c2)cc1 500217893 HQCUKLKOMUZXKR-UHFFFAOYSA-N 321.424 4.613 30 20 DJED C=CCC[C@@H](C(=O)N(C)C1CCC(F)(F)CC1)c1ccccc1 518254392 ORJGOBQPXSKSIN-QGZVFWFLSA-N 321.411 4.773 30 20 DJED CC(C)N(CCC#N)Cc1ccc(-c2ccccc2Cl)o1 536645160 FUGODPWOMMLCLF-UHFFFAOYSA-N 302.805 4.724 30 20 DJED N#CCC[C@H](N[C@@H]1CCc2c(Cl)cccc21)c1ccccc1 539046793 MMXTUANKDSFLRA-RBUKOAKNSA-N 310.828 4.962 30 20 DJED C=CCN(C(=O)Nc1ccc2oc3ccccc3c2c1)C1CC1 540064516 BKJGUUZWSSQWLP-UHFFFAOYSA-N 306.365 4.768 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1c(F)cccc1Cl 540707428 BEJVFRPEBBGWQZ-MNOVXSKESA-N 320.770 4.902 30 20 DJED C=CCC(C)(C)c1noc([C@@H](C)CSc2ccccc2)n1 551138311 QLCHMVWQSXGFGK-ZDUSSCGKSA-N 302.443 4.819 30 20 DJED C=CCN(Cc1cnc(-c2ccc(Cl)cc2)s1)C1CC1 551556770 VVTBQFSEDZKMBY-UHFFFAOYSA-N 304.846 4.614 30 20 DJED CC(C)(C)n1cc(C#N)cc1NC(=O)c1csc2ccccc12 552930816 RBRFQNQLCSWWBD-UHFFFAOYSA-N 323.421 4.582 30 20 DJED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1F 552969324 MTOOFFHXIMHTNA-CWTRNNRKSA-N 312.363 4.565 30 20 DJED CC(C)c1ccc(C2(CNC[C@@H](C#N)CCC#N)CCCC2)cc1 554486655 IBNSRWJFAYWQRC-GOSISDBHSA-N 323.484 4.655 30 20 DJED C=CCC(C)(C)c1noc(-c2ncoc2-c2ccc(C)cc2)n1 556363190 TVHLDDWVHKHJNO-UHFFFAOYSA-N 309.369 4.554 30 20 DJED N#Cc1ccc(CNCc2ccc(-c3ccccc3)cc2)s1 561981205 NHNSMPBLPYFOGZ-UHFFFAOYSA-N 304.418 4.577 30 20 DJED N#Cc1ccc2c(c1)[C@@H](NCc1ccc(-c3ccccc3)o1)CC2 564431292 BZLNUNVKDXCBJR-FQEVSTJZSA-N 314.388 4.595 30 20 DJED CC[C@@](C)(C#N)C(=O)N1CCCc2cc(-c3ccccc3)ccc21 573283516 QNMDVCSXJBVDAT-NRFANRHFSA-N 318.420 4.573 30 20 DJED C[C@H](Sc1ccncc1C#N)c1cccc(Br)c1 576172889 RDKAYHLKRLEEMT-JTQLQIEISA-N 319.227 4.569 30 20 DJED C=CCCC(=O)Nc1ncc(Cc2ccc(Cl)cc2C)s1 588029998 WSTIUAKPXWWXTM-UHFFFAOYSA-N 320.845 4.600 30 20 DJED CCSc1cccc(NC(=O)CC2(C#N)CCCCC2)c1 597242358 WMRGDOPHDHIAHG-UHFFFAOYSA-N 302.443 4.601 30 20 DJED N#C[C@@H](NCC(c1ccccc1)c1ccccc1)C1CCCCC1 609677300 WTVXSVYCDGGBDF-JOCHJYFZSA-N 318.464 4.881 30 20 DJED CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)Nc1cccc(F)c1C#N 609894661 YTQRCTRJEQJLFA-PIGZYNQJSA-N 318.779 4.539 30 20 DJED CC(=NNc1ccc(OC(F)F)cc1)c1cccc(Cl)c1 726427295 UXUGIDKHLXSDFV-UHFFFAOYSA-N 310.731 4.778 30 20 DJED CCCC[C@@H](CC)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730418157 RHVFLPDKNYEWOF-DGCLKSJQSA-N 318.417 4.828 30 20 DJED Cc1cc(C)cc(C(=O)/C=C\c2cccc(OC(F)F)c2)c1 730438102 ZQMRFZZMGDMGRD-SREVYHEPSA-N 302.320 4.801 30 20 DJED C[C@H](C#N)CSc1ccccc1NC[C@H]1CC1(Cl)Cl 731027921 CIWSCBGACVJTTE-GHMZBOCLSA-N 315.269 4.544 30 20 DJED CC(C)(C)CC(=NNc1nccnc1Cl)c1ccc(F)cc1 734299829 WEGUCNWHWKCLBQ-UHFFFAOYSA-N 320.799 4.522 30 20 DJED COc1cc(C(=O)/C=C\c2cc(C)ccc2F)ccc1SC 734980957 LASLJRCHSSZYSC-YVMONPNESA-N 316.397 4.761 30 20 DJED CC(=NNc1ccc(C)cc1)c1cccc(-c2ccncc2)c1 741451504 QKMHBVXRKIDQAA-UHFFFAOYSA-N 301.393 4.893 30 20 DJED CC(C)(C=NNCc1ccc(-c2ccccc2)cc1)CCC#N 755763098 OPFZMBRYDDIBLY-UHFFFAOYSA-N 305.425 4.759 30 20 DJED CC(=NNc1ccc(Cl)cc1)c1nc2c(s1)CCCC2 761249779 MTQRNFQIVNBGJT-UHFFFAOYSA-N 305.834 4.511 30 20 DJED CC(=NNc1cccc(Cl)c1F)c1ccc(C(C)(C)O)cc1 767378172 AMPOBQXPBSTBQP-UHFFFAOYSA-N 320.795 4.543 30 20 DJED C=CCC[C@@H](NC(=O)N1CCC2(CCCC2)C1)c1ccccc1 772031352 DUIRAUGLOVXXKK-GOSISDBHSA-N 312.457 4.670 30 20 DJED C#CC[C@H](N[C@@H]1CCSc2c(F)cccc21)c1ccccc1 773105660 IIMFRLMNSCRIIR-ZWKOTPCHSA-N 311.425 4.717 30 20 DJED C#CC[C@H](N[C@@H](C)c1ccc(OC)c(Cl)c1)c1ccccc1 773116396 RMSILIWKIFDHOF-KSSFIOAISA-N 313.828 4.764 30 20 DJED C#CC[C@H](N[C@H](CC)c1cc(Cl)ccc1O)c1ccccc1 775524159 QTFHWMHSHNWMJH-MSOLQXFVSA-N 313.828 4.851 30 20 DJED Cc1ccncc1CCC=NNc1ccc(Cl)c(Cl)c1 776723835 MQWONVCHJZPELG-UHFFFAOYSA-N 308.212 4.727 30 20 DJED C[C@@]1(c2ccccc2)CCC(=NNc2cnnc3ccccc23)C1 780226837 JLOQDXXYUMFCLL-HXUWFJFHSA-N 316.408 4.540 30 20 DJED C[C@H](OC(=O)CC(C)(C)C#N)c1ccc(Cl)c(Cl)c1 785096175 ORABBVPYBAVQEP-VIFPVBQESA-N 300.185 4.537 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=S)Nc1ccccc1F 794994422 HHHQKUHJKUHVSG-UHFFFAOYSA-N 314.429 4.601 30 20 DJED C[C@@H]1/C(=C/c2cccc(OC(F)F)c2)C(=O)c2ccccc21 809159779 WNOXQRHBDFEWOP-OKHBPPCESA-N 300.304 4.671 30 20 DJED CCSc1ccc(C(=O)/C=C/c2cccc(F)c2C#N)cc1 811694218 UKFAQJCNIRVWOF-DHZHZOJOSA-N 311.381 4.705 30 20 DJED C[C@@H](CCC(=O)[C@@H](C#N)c1nc(C2CC2)cs1)c1ccccc1 842940983 MBNJFBRMKRUWEO-XJKSGUPXSA-N 324.449 4.781 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)c2ccccc2C(C)C)n1 850873627 NJVSWUZLLPMITC-HNNXBMFYSA-N 312.438 4.880 30 20 DJED CC(C)(C)c1csc(NC(=O)c2ccc(CF)cc2)c1C#N 857624422 VMVFXTHCQJGUDF-UHFFFAOYSA-N 316.401 4.639 30 20 DJED CCC(CC)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915354087 UZKONIILRFANNQ-IBGZPJMESA-N 321.424 4.652 30 20 DJED O=C(/C=C/c1ccc(F)cc1F)c1cccc(Br)c1 916134333 NJSMKEWSAIOBQN-FNORWQNLSA-N 323.136 4.623 30 20 DJED CCCOc1ccc(NCc2ccc(C#N)cc2F)cc1Cl 917826287 BHCVUQZCMVJWAN-UHFFFAOYSA-N 318.779 4.752 30 20 DJED N#Cc1ccc(CSc2ncc(-c3ccccc3)o2)c(F)c1 1115905143 UMZZKNFLUUOUOJ-UHFFFAOYSA-N 310.353 4.645 30 20 DJED CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)CC1 1128211499 QODKMEFNZAIWIR-CZUORRHYSA-N 318.848 4.546 30 20 DJED Cc1c(Cl)cc(NC(=O)c2cccc(F)c2C#N)cc1Cl 1160502869 WYJWVHRGRIQLGA-UHFFFAOYSA-N 323.154 4.565 30 20 DJED Cc1nc(N[C@H]2CCc3c(Cl)cccc32)c(Cl)cc1C#N 1162250329 BKYKCRYNAJAALV-HNNXBMFYSA-N 318.207 4.668 30 20 DJED CC[C@H]1CC[C@H](C)N1Cc1ccc(-c2ccccc2C#N)cc1 1168570865 UFSKAHRJPZIMAH-JXFKEZNVSA-N 304.437 4.988 30 20 DJED C[C@@H]1[C@H](c2ccccc2)CCN1Cc1ccc(Cl)cc1C#N 1191444243 JYFPCXYSIBCETB-AUUYWEPGSA-N 310.828 4.590 30 20 DJED CC(C)[C@H]1CCc2ccccc2[C@H]1NCc1cccc(F)c1C#N 1205262278 RORQFCGUXPXFHK-UTKZUKDTSA-N 322.427 4.747 30 20 DJED CCC[C@@H](CC)C(=O)Nc1ccccc1SC[C@H](C)C#N 1265068849 DGUIZDVGZCFGAT-ZIAGYGMSSA-N 304.459 4.703 30 20 DJED Cc1cccc(-c2cccc(C(=O)NCC(C)(C)CCC#N)c2)c1 1274834180 MBZIFEXVEBQNPA-UHFFFAOYSA-N 320.436 4.722 30 20 DJED CCC(CC)CN(CCC#N)Cc1ccccc1OC(C)C 1307514537 OUZWYANBVYHKLW-UHFFFAOYSA-N 302.462 4.626 30 20 DJED C=C(C)CCC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 1337490078 FNIKRIHTRXRXPK-OAHLLOKOSA-N 311.347 4.725 30 20 DJED Cc1ccc([C@@H](C)N(C)c2ncc(Cl)c(C)c2C#N)c(C)c1 1458124911 YVWSYOQGKNHCCX-CQSZACIVSA-N 313.832 4.729 30 20 DJED CC(C)CC[C@H]1CCCN1Cc1cc(Cl)ccc1OCC#N 1473273749 RMSHIMSXNPYYIQ-QGZVFWFLSA-N 320.864 4.643 30 20 DJED Cc1ccc(C#N)cc1NCc1cccc(OC2CCCC2)c1 1474172265 HNQHANVPEWMGMX-UHFFFAOYSA-N 306.409 4.800 30 20 DJED CC[C@H](C)[C@@H](C(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccccc1 1524300791 BBEMVNTXVHIYEM-RZQQEMMASA-N 321.420 4.992 30 20 DJED CCC[C@H]1CCCC[C@@H]1NCc1cc(Cl)ccc1OCC#N 1559774108 YZYRHCDZWGNLHZ-YOEHRIQHSA-N 320.864 4.691 30 20 DJED CCc1ccc([C@H](NC(=O)Nc2ccc(C#N)cc2)C(C)C)cc1 1562052555 VAJVZMIGECWSJW-LJQANCHMSA-N 321.424 4.639 30 20 DJED CCCCN(Cc1ccccc1F)c1snc(Cl)c1C#N 1611920536 LOOAPSVPZAYGNQ-UHFFFAOYSA-N 323.824 4.614 30 20 DJED CCC[C@@H](Nc1ncc(C#N)cc1Cl)c1ccc(F)cc1F 1612132235 RDZYPCDDFGJWDH-OAHLLOKOSA-N 321.758 4.838 30 20 DJED Cc1ccc(SCc2cc(C#N)ccc2Br)cc1 1613317426 GARDAWMBICLWRS-UHFFFAOYSA-N 318.239 4.922 30 20 DJED CCCC[C@H](CC)CCCN(C)C(=O)c1ccc(C#N)cc1 1618244704 YQZYCOQATSJZPE-INIZCTEOSA-N 300.446 4.627 30 20 DJED CC[C@@H](CC#N)NC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 1624680989 LPOIYELPWAIIIA-INIZCTEOSA-N 324.424 4.666 30 20 DJED Cc1ccnc(N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)c1C#N 1642798372 ZWCMFESZBJMGHS-HOCLYGCPSA-N 311.816 4.663 30 20 DJED CCC1(c2ccc(Cl)cc2)CCN([C@@H](C)CCC#N)CC1 1642979514 AHLXALHYFMISLX-HNNXBMFYSA-N 304.865 4.776 30 20 DJED CC(C)c1ccccc1-n1ccnc1S[C@H]1CC[C@H](C#N)C1 1643515896 XZJRUIDIMPOUHE-GJZGRUSLSA-N 311.454 4.780 30 20 DJED Cc1c(C#N)c(S[C@@H]2CCc3c(F)cccc32)nc2c1CCC2 1643545576 JHILYXWJIFMHST-GOSISDBHSA-N 324.424 4.669 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1Cl 1644453678 MNXICMWCSAQGAK-UHFFFAOYSA-N 316.807 4.761 30 20 DJED C[C@@H]1CCC[C@@H](CCN2CC=C(c3ccc(C#N)cc3)CC2)C1 1645154021 YFQRFUDJANQDBP-MSOLQXFVSA-N 308.469 4.864 30 20 DJED Cc1nc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)ccc1C#N 1650752495 DHIAJVKOKBHRFS-LIXBPZJASA-N 311.816 4.724 30 20 DJED N#Cc1cccc(Oc2cnc3c(Cl)c(Cl)ccc3c2)n1 1651209566 ZESGXTWVZVKRCV-UHFFFAOYSA-N 316.147 4.601 30 20 DJED C[C@@H]1C[C@H](c2ccccc2)CN1Cc1ccc(Cl)cc1C#N 1657320286 ARBRHPINOILUCR-KDOFPFPSSA-N 310.828 4.590 30 20 DJED CC[C@H](NC1CC(C#N)(c2ccccc2)C1)c1ccc(C)c(F)c1 1664035960 PSFYNZUEORCCHK-CKHPTIKVSA-N 322.427 4.799 30 20 DJED Cc1cccc([C@@H](NC(=O)Nc2cccc(C#N)c2)C(C)(C)C)c1 1666934563 NEADWPXPIXSWSC-GOSISDBHSA-N 321.424 4.776 30 20 DJED CC(=NNc1ccc(Cl)c(Cl)c1)c1ccccc1C(=O)O 1776032684 JUCKMEDOSDCOBI-UHFFFAOYSA-N 323.179 4.528 30 20 DJED Cc1c(C(=O)Nc2cccc(C#N)c2)oc2ccc(Cl)cc12 5243517 ISKTWBLWJMDWGP-UHFFFAOYSA-N 310.740 4.519 30 20 DJED Cc1cccc(C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)c1 23164436 UNZUFGZVJUULRW-OUKQBFOZSA-N 316.404 4.694 30 20 DJED CCCCCCCC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 100168833 GDEPWWGKXFXZAI-GOSISDBHSA-N 319.445 4.543 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2cccc(-c3ccncc3)c2)cc1 125565376 ROGKONFDKOIYNM-CMDGGOBGSA-N 310.356 4.516 30 20 DJED CC(C)(C#N)CCCn1nccc1-c1ccc(F)c(Cl)c1 135509797 DHQLPQQHUNOFBF-UHFFFAOYSA-N 305.784 4.673 30 20 DJED CCC(=CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)CC 151722834 GKPFTIHVGYNTGW-GFCCVEGCSA-N 318.829 4.872 30 20 DJED CC(C)(C#N)CCN1CCc2sccc2[C@H]1c1cccs1 157467198 XZSGGPKEMGTETQ-INIZCTEOSA-N 316.495 4.697 30 20 DJED C[C@H](NCc1ccccc1C(C)(C)C#N)c1ccc(F)c(F)c1 181638481 UMXYMBFTPVCQQL-ZDUSSCGKSA-N 314.379 4.617 30 20 DJED CC(=O)Nc1cccc(CS[C@H](C)c2cccc(C#N)c2)c1 190794295 CQBWKHGEQLNTIF-CYBMUJFWSA-N 310.422 4.511 30 20 DJED C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc2ccccc2c1 194886933 YQRDEADKJXKAFH-MRXNPFEDSA-N 316.404 4.593 30 20 DJED CSc1ccc(/C=C2/CCOc3ccc(F)cc3C2=O)cc1 210276259 MJMCQPWCDQJFNM-RAXLEYEMSA-N 314.381 4.596 30 20 DJED Fc1c(F)c(F)c(CSCCC(F)(F)F)c(F)c1F 217059019 RYVUAYLTWYSZGX-UHFFFAOYSA-N 310.209 4.568 30 20 DJED N#Cc1ccc(NC(=O)c2cc3ccccc3s2)c(Cl)c1 225784799 MHOWPPMRHOITKO-UHFFFAOYSA-N 312.781 4.679 30 20 DJED C[C@H](Nc1c(C#N)cccc1C#N)c1ccc(C(F)(F)F)cc1 302829196 JNDVYXUSFCEWIT-NSHDSACASA-N 315.298 4.622 30 20 DJED Cc1cc2cc[nH]c2cc1NC(=O)C[C@@H](CC#N)c1ccccc1 356945358 WOWZBTMXVBOBLJ-MRXNPFEDSA-N 317.392 4.502 30 20 DJED N#Cc1ccccc1CNc1cccc(Oc2ccccc2)c1 409447460 SNDVPBSZTUZPNP-UHFFFAOYSA-N 300.361 4.963 30 20 DJED C[C@H]1CC(C)(C)N(C(=O)c2cscc2C#N)c2ccccc21 410684077 NAJMXJMBJRGZGS-LBPRGKRZSA-N 310.422 4.552 30 20 DJED C=CCC[C@@H](NC(=O)N1CC[C@@H]1c1ccccc1)c1ccccc1 435101609 CIKDODYUHXQZCA-WOJBJXKFSA-N 320.436 4.851 30 20 DJED N#CCCCC(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 463950500 YCZVJMUSOAQADO-UHFFFAOYSA-N 316.763 4.778 30 20 DJED N#Cc1cc(NC(=O)c2cccc3ccsc23)ccc1Cl 464569222 VYUKRJYDGZXMNE-UHFFFAOYSA-N 312.781 4.679 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1cc2ccccc2o1 467375090 BAISLWRYIRIRRG-OLZOCXBDSA-N 308.356 4.855 30 20 DJED C=CCCCNC(=O)c1c(F)cccc1Sc1ccccc1 468367703 OJWNJPBBKUUDGP-UHFFFAOYSA-N 315.413 4.673 30 20 DJED N#Cc1cccc(SCc2cc(-c3ccc(F)cc3)no2)c1 468637480 ISZJDTNHVMZGIQ-UHFFFAOYSA-N 310.353 4.645 30 20 DJED CCc1cccc(NC(=O)C[C@@H](CC#N)c2ccccc2)c1CC 477110970 DGYKVYNMAAPURI-GOSISDBHSA-N 320.436 4.837 30 20 DJED COc1ccc([C@@H](C)N[C@@H]2CCCCc3cc(C#N)ccc32)cc1 481927568 YPBYBYIVBMJCIP-QVKFZJNVSA-N 320.436 4.685 30 20 DJED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 488818067 GHIGTQWYKDSNCT-HNAYVOBHSA-N 323.436 4.519 30 20 DJED Cc1ccc(C#N)cc1NCc1cnc(-c2ccccc2)s1 500971787 BTPDFMKKEFNVPR-UHFFFAOYSA-N 305.406 4.602 30 20 DJED C=CCCC[C@H](C)NC(=O)N(C)[C@H](CC)c1cccc(OC)c1 501570445 VJCVOYZQELAKDJ-MAUKXSAKSA-N 318.461 4.533 30 20 DJED CC[C@@H](c1ccccc1)N(CC)C(=O)Nc1ccc(C#N)cc1 519888312 NHKOUYGPINYIMD-SFHVURJKSA-N 307.397 4.563 30 20 DJED CC1(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCC(F)(F)CC1 527870200 PORWPFKXQMFZAU-UHFFFAOYSA-N 320.383 4.642 30 20 DJED C[C@H](NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(C#N)c1 538393514 NCWAGHQJNZPWJZ-BJJXKVORSA-N 310.363 4.578 30 20 DJED N#CCc1ccc(CN[C@@H](c2ccc(F)cc2)C2CCC2)cc1 542211751 ODURIKNCEQDXFK-HXUWFJFHSA-N 308.400 4.523 30 20 DJED N#Cc1ccc(CSCCCOc2ccc(F)cc2)c(F)c1 588667866 TXZZKGUDWSUWOI-UHFFFAOYSA-N 319.376 4.539 30 20 DJED C=CCCCCCN(C)C(=O)c1cc2ccc(Cl)cc2[nH]1 606883314 KNLFWPOFHNYQKN-UHFFFAOYSA-N 304.821 4.640 30 20 DJED C=CCCCCCN(C)C(=O)Nc1cccc(Cl)c1N(C)C 606939202 FFMRDQLGLJQFCI-UHFFFAOYSA-N 323.868 4.616 30 20 DJED Cc1ccc([C@@H]2CCCCCN2Cc2ccc(C#N)cc2F)o1 610004434 JOLYOXOSAQWSPH-SFHVURJKSA-N 312.388 4.716 30 20 DJED C#CCOc1ccc(CN[C@H](C)c2csc3ccccc23)cc1 733327869 DMILWHUXOVIUMW-OAHLLOKOSA-N 321.445 4.764 30 20 DJED C[C@@H](CC#N)OC(=O)c1sc2cc(Cl)ccc2c1Cl 733708219 OCMAZDJVKKJSOY-ZETCQYMHSA-N 314.193 4.667 30 20 DJED C=C(C)CNC(=S)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 743017765 KYFYRQNBOBYUOD-INIZCTEOSA-N 324.493 4.797 30 20 DJED CCCCCCC[C@H](C)CNC(=O)N(C)[C@@H](C)c1ccccn1 744280294 IWKCRYHYNMFKHE-IRXDYDNUSA-N 319.493 4.781 30 20 DJED O=C(/C=C/C=C/c1ccccc1)c1ccc(OC(F)F)cc1 746682376 ALRNAZZJIDBNSI-KBXRYBNXSA-N 300.304 4.740 30 20 DJED O=C1/C(=C/c2nc3ccc(F)cc3s2)CCc2sccc21 761476453 IURUQOAPKXUAIE-VQHVLOKHSA-N 315.394 4.709 30 20 DJED C[C@H](C#N)Oc1ccc(CN2CCCC[C@H]2c2ccccc2)cc1 762792876 APYBXVWGLJEOLS-UTKZUKDTSA-N 320.436 4.705 30 20 DJED COCc1cccc(/C=C2\C(=O)c3cccc4c3[C@H]2CCC4)c1 763289752 MVFRNCRMOMZDEU-LSPINASFSA-N 304.389 4.533 30 20 DJED CCCCCCCCCN(C)C(=O)N[C@@H]1CCC(F)(F)C1 763706868 LFHMVSURJJRQQF-CQSZACIVSA-N 304.425 4.566 30 20 DJED CCc1ccc(C(=O)/C=C/c2nn(CC)c3ccccc23)s1 769743563 VDLMDDOFKUDQHX-ZHACJKMWSA-N 310.422 4.576 30 20 DJED C=CCCC[C@H](C)NC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 775780731 OYPRTZCLCSCLND-GUYCJALGSA-N 322.399 4.556 30 20 DJED CC(=NNc1ccc(C(F)(F)F)cc1)c1ccc(C#N)c(F)c1 776776547 MRFZHSRAQOPGKW-UHFFFAOYSA-N 321.277 4.552 30 20 DJED CC(=NNc1ccc(C(F)(F)F)cc1)C1CCSCC1 777442763 DRENPMQNZSBIRF-UHFFFAOYSA-N 302.365 4.636 30 20 DJED Cc1ccsc1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1Cl 783706097 GUSFDTAPYDXZQE-HYXAFXHYSA-N 307.758 4.514 30 20 DJED CC[C@@]1(C)Oc2ccc(N[C@H](C)c3cccc(C#N)c3)cc2O1 785572259 XMRSSYVZUWGAMQ-YJYMSZOUSA-N 308.381 4.629 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)/C(C)=C/c1ccccc1Cl 787943497 LHDIPGDOGJQDBJ-BUHFOSPRSA-N 318.848 4.674 30 20 DJED Cc1cccc2c1C/C(=C\c1cnc(-c3ccco3)s1)C2=O 789142274 JUBJMOOCFOVDAE-XYOKQWHBSA-N 307.374 4.534 30 20 DJED CCCNc1ccc(C#N)cc1NCc1ccc2ncccc2c1 795266067 HPRIJQAJUBPBFB-UHFFFAOYSA-N 316.408 4.540 30 20 DJED CCSc1ccc(C(=O)/C=C\c2cn(C(C)C)nc2C)cc1 798370418 MDLYTECUQKLSEG-FLIBITNWSA-N 314.454 4.781 30 20 DJED CC(CC(C)(C)c1c[nH]c2ccccc12)=NNc1ccccn1 799469935 IUMOKWXVCUIEDS-UHFFFAOYSA-N 306.413 4.719 30 20 DJED N#Cc1ccccc1C(=O)/C=C/c1ccc(F)c(C(F)(F)F)c1 799499227 ULILADXWDJCBLW-SOFGYWHQSA-N 319.257 4.612 30 20 DJED CC(C)(C#N)[C@@H]1CCCC1=NNCc1ccc(C(F)(F)F)cc1 814807633 DPCRRYHVUOJEQT-CQSZACIVSA-N 323.362 4.501 30 20 DJED CSCc1cnc(C=NNc2cccc3ccccc23)s1 814823041 PCGKTOKQAMYARZ-UHFFFAOYSA-N 313.451 4.605 30 20 DJED C=CCC(F)(F)C(=O)Nc1c(CC)ccc(Cl)c1CC 839216879 ZQEQSHDEGBUHBV-UHFFFAOYSA-N 301.764 4.615 30 20 DJED C=CCNC(=S)Nc1ccc(Oc2cc(C)cc(C)c2)cc1 917597476 IHCBCNCVHCSPML-UHFFFAOYSA-N 312.438 4.568 30 20 DJED Cc1c(Cl)cnc(N2CCC[C@@H]2CCC2CCCC2)c1C#N 1162812159 KQBHZEBSHXTBMD-OAHLLOKOSA-N 317.864 4.854 30 20 DJED N#Cc1ccc(CN2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)s1 1193574170 DTJHRKVCCDDUHT-VAMGGRTRSA-N 322.477 4.778 30 20 DJED C[C@@H]1CN([C@H](C)c2cccc(C#N)c2)CCc2ccc(Cl)cc21 1195768085 QCFVGNNACPUROE-HUUCEWRRSA-N 324.855 4.934 30 20 DJED CCCC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(C#N)cc1Cl 1201921639 APOWBWUPHMMRGV-DZGCQCFKSA-N 319.836 4.692 30 20 DJED Cc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)cc1C#N 1264576928 LLGJOEZCLPITKM-SFHVURJKSA-N 324.399 4.523 30 20 DJED CC(C)c1ccc(/C=C/CC(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1 1275464341 LSFMIJMQBGSURU-MSIWKICXSA-N 311.425 4.839 30 20 DJED Cc1cc(C#N)ccc1CN1C[C@H](C)C[C@@H]1c1ccccc1F 1307503870 LROILPPBAZEGES-JLTOFOAXSA-N 308.400 4.589 30 20 DJED N#Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2c2ccccc2)cc1Cl 1352434524 JIQGHNBTXHKHPC-DLBZAZTESA-N 324.811 4.734 30 20 DJED CCC[C@H](CC1CCCC1)C(=O)OCc1cc(C#N)ccc1F 1457385592 MGTXHFJMIZJVPB-MRXNPFEDSA-N 317.404 4.737 30 20 DJED Cc1cc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1Cl 1461880610 KGSBTYFWZKZPDI-QUCCMNQESA-N 324.855 4.920 30 20 DJED C[C@H]1CCCC[C@H]1CCNC(=O)Nc1ccc(C#N)cc1Cl 1465888621 PFBJEEVSTORPKU-JSGCOSHPSA-N 319.836 4.550 30 20 DJED C[C@H](COc1nc(C(C)(C)C)ccc1C#N)C1CCCCC1 1473048012 GRDWDMDZEQYGRU-CQSZACIVSA-N 300.446 4.846 30 20 DJED CC[C@@H]1C[C@H]1CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1473374791 MTSMOTRGSKVYKR-CEQIKUNHSA-N 304.437 4.922 30 20 DJED CC[C@@H](OC(=O)CC1(C#N)CCCCC1)c1cccc(OC)c1 1520592821 WFTVFUNWEDCYGC-QGZVFWFLSA-N 315.413 4.554 30 20 DJED CC[C@@H](Nc1nc(Cl)c(C#N)s1)C(C)(C)c1ccccc1 1642445640 RZAMTLGJTXWAEM-CYBMUJFWSA-N 319.861 4.836 30 20 DJED Cc1c(Cl)cnc(N2CCCC[C@H]2c2ccccc2)c1C#N 1642538236 ULASITOUMRSGOB-KRWDZBQOSA-N 311.816 4.647 30 20 DJED Cc1nc(Oc2ccc3oc4ccccc4c3c2)ccc1C#N 1651305355 GPTZGYIAMRYQPG-UHFFFAOYSA-N 300.317 4.953 30 20 DJED CCCc1c(N[C@H](C)C2CCCC2)cnn1-c1cccc(C#N)c1 1657821214 QFYDBFYKMWVSNB-OAHLLOKOSA-N 322.456 4.687 30 20 DJED Cc1cc(C)c(/C=C/CN(CCC#N)Cc2ccco2)c(C)c1 1659253909 DLOLRBJKLFQDPO-XBXARRHUSA-N 308.425 4.634 30 20 DJED CCCC[C@@H](NCc1ccc(C#N)c(C)c1)c1ccc(OC)cc1 1661297512 NBMVRSJLZFBFPJ-OAQYLSRUSA-N 322.452 4.896 30 20 DJED O=C(/C=C\c1ccc(C(=O)O)s1)c1ccc(-c2ccccc2)o1 1777569858 VXMWCGUSYQWFJJ-VURMDHGXSA-N 324.357 4.602 30 20 DJED COc1cc(C(=O)/C=C/c2cccc(C)c2)ccc1OC(F)F 57435294 WYONNZWWMKPTMG-SOFGYWHQSA-N 318.319 4.501 30 20 DJED C=CCCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 73088885 CXSJPKIOFKZBRN-CYBMUJFWSA-N 316.813 4.606 30 20 DJED C=CCCC(=O)Nc1ccc(OCc2cccc(F)c2)cc1C 78465347 AIKPUHCXDGTDHO-UHFFFAOYSA-N 313.372 4.618 30 20 DJED C[C@@H](Nc1ccc(Br)c(F)c1)c1ccc(C#N)cc1 88083621 YSGREOZBZDMBHN-SNVBAGLBSA-N 319.177 4.633 30 20 DJED CCC(CC)SCC(=O)c1cn(CCC#N)c2ccccc12 131829883 AGVIDNYUMVWCEJ-UHFFFAOYSA-N 314.454 4.659 30 20 DJED CO[C@@H](C)c1nc(CSc2ccc(C#N)cc2Cl)cs1 163290905 PAFFMIODIZRCKH-VIFPVBQESA-N 324.858 4.668 30 20 DJED N#CCCCCN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 183340420 MRWAMSKPJUQNJZ-LBPRGKRZSA-N 324.268 4.592 30 20 DJED CCC[C@H](C)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N 264628085 SKZAVQMCYQTTGY-UONOGXRCSA-N 319.474 4.733 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C)ccc1C 301747426 CLFVMOHHEWHRGQ-UHFFFAOYSA-N 319.857 4.847 30 20 DJED C=CC[C@H](CC)NC(=O)Cc1csc2ccc(Cl)cc12 410129797 GYYZZNRWLXPYIE-ZDUSSCGKSA-N 307.846 4.568 30 20 DJED C=C(C)C(C)(C)C(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C 425555674 RCAHNTSFFLNEQQ-CYBMUJFWSA-N 308.491 4.697 30 20 DJED CCc1ccsc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 430583530 MURPOUGRVSZGAY-LLVKDONJSA-N 318.467 4.555 30 20 DJED C=CCC(CC=C)C(=O)Nc1c(C)cc(C)cc1Br 432870801 ICTDAVXZWBVHLI-UHFFFAOYSA-N 322.246 4.773 30 20 DJED Cc1cccc([C@H]2CCCCN2C(=O)c2cc(C#N)cs2)c1C 437690235 VNYCHCCLFHJJSQ-QGZVFWFLSA-N 324.449 4.604 30 20 DJED Cc1ccccc1[C@@H](CC(F)(F)F)NCc1ccccc1C#N 444007121 ABARCCLDEZOMTP-QGZVFWFLSA-N 318.342 4.650 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2cc(C)ccc2C)CCCC1(C)C 444811128 GLNBPPUNLWYWFO-KRWDZBQOSA-N 300.446 4.902 30 20 DJED CC[C@@H](NCc1ccccc1C(F)(F)F)c1ccc(C#N)cc1 447537933 ZQFGXVOBVCBLTG-QGZVFWFLSA-N 318.342 4.818 30 20 DJED C=CCC[C@@H](C(=O)Nc1ccc(F)c(OC)c1)c1ccccc1 474279907 YRPYZOUQLMMGDL-MRXNPFEDSA-N 313.372 4.523 30 20 DJED C=CC[C@@H](C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccccc1 481643777 VQZVKNRVRDYSOD-MISYRCLQSA-N 323.411 4.548 30 20 DJED C=C(C)CN(CC)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 499820740 DMPOZJLCAFMCGY-ZIAGYGMSSA-N 312.240 4.522 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1CCCC[C@H]1C 520394022 WWXWNPORSZSASY-VQIMIIECSA-N 312.457 4.513 30 20 DJED CC(C)c1ccc(CCC(=O)N(CCC#N)CC(C)(C)C)cc1 521361036 UCDANVILCGVBJS-UHFFFAOYSA-N 314.473 4.531 30 20 DJED CC(C)[C@H](NCc1cc(C#N)ccc1F)c1ccccc1Cl 540385359 ARIFQYUGVQPDHJ-SFHVURJKSA-N 316.807 4.838 30 20 DJED C[C@H](NCCc1csc2ccccc12)c1ccc(C#N)cc1 540597499 SZQIMPIAOVQQAU-AWEZNQCLSA-N 306.434 4.666 30 20 DJED C=CCCO[C@@H](C)C(=O)N(Cc1cccs1)C(C)(C)CCC 549323340 RRQMQVDRFOUKRX-HNNXBMFYSA-N 323.502 4.637 30 20 DJED C=CCC[C@H](NCCC1CC(OC(C)(C)C)C1)c1ccco1 552262346 RCJMQBYZLKQKOX-JCYILVPMSA-N 305.462 4.860 30 20 DJED CC(C)(C)CCCCC(=O)N(Cc1ccc(C#N)cc1)C1CC1 557384354 HLIBPKPYZXBHLH-UHFFFAOYSA-N 312.457 4.656 30 20 DJED C[C@@H]1SCCN(Cc2ccc(-c3ccccc3C#N)cc2)[C@H]1C 558246640 APIILVYAGQHKMM-HOTGVXAUSA-N 322.477 4.551 30 20 DJED N#CCCC1CCN(C(=O)Nc2ccc(C3CCC3)cc2)CC1 573918341 ANJFDILGMZHEHN-UHFFFAOYSA-N 311.429 4.502 30 20 DJED N#CCC1(CN[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)CC1 619535100 FTKBCGQRUFDAMW-ZBFHGGJFSA-N 322.374 4.625 30 20 DJED O=C(/C=C/c1ccc(-c2ccccc2)o1)c1ccc(O)c(F)c1 728438487 GGRVSOJJYRYCRI-JXMROGBWSA-N 308.308 4.687 30 20 DJED O=C(/C=C/c1ccnc2ccccc12)c1ccc(F)c(Cl)c1 731835529 HWNQSRSESSDRLS-SOFGYWHQSA-N 311.743 4.923 30 20 DJED CSc1ccc(C(=O)/C=C\c2ccc(O)c(Cl)c2)cc1F 741846302 CPJBXVOHBLZKDY-DJWKRKHSSA-N 322.788 4.803 30 20 DJED C#CCOC(=O)c1c(Cl)cccc1Oc1ccccc1Cl 744040952 WJFVIRVHKYEQRG-UHFFFAOYSA-N 321.159 4.576 30 20 DJED C=CCOCCCC(=O)O[C@H](C)c1ccc(Cl)c(Cl)c1 744070516 OCOLERRDDXTTNV-LLVKDONJSA-N 317.212 4.580 30 20 DJED CC[C@@H](C)Oc1cc(/C=C/C(=O)c2ccccc2)ccc1OC 749449984 BGHGCWOVWGHWHT-HBIYDYFMSA-N 310.393 4.769 30 20 DJED N#Cc1cc2ccccc2nc1N1CCC[C@H]1c1cccs1 750011225 MERPYBOALPRRBD-INIZCTEOSA-N 305.406 4.509 30 20 DJED CC(/C=C\C(=O)c1ccc(-n2cccn2)cc1)=C\c1ccccc1 750905297 LGLORVMWTGLDDL-PZLHKEIMSA-N 314.388 4.715 30 20 DJED CCn1nc(C)c(C=NN(c2ccccc2)c2ccccc2)c1C 755464859 CPHKNEOSMQODEZ-UHFFFAOYSA-N 318.424 4.692 30 20 DJED CCc1ccc(C(C)=NNc2nc(C(F)(F)F)cs2)s1 755903577 HXEMJLUIIBCNSK-UHFFFAOYSA-N 319.377 4.622 30 20 DJED C#CC[C@H](NC(=O)Nc1ccc2ccccc2c1)c1ccccc1 757761836 ORYASBCNJAUXKA-FQEVSTJZSA-N 314.388 4.726 30 20 DJED O=C(O)c1ccc(C(=O)/C=C\c2cc3ccccc3s2)s1 758430341 QEYACAQOFKECEQ-WAYWQWQTSA-N 314.387 4.557 30 20 DJED COc1ccc2oc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2c1 763289380 JENLUXZUXBKRCJ-ZZXKWVIFSA-N 314.287 4.616 30 20 DJED CC(C)(C#N)CCCCOC(=O)c1c(Cl)cccc1Cl 768371462 GVCYKFWEIWLGSX-UHFFFAOYSA-N 314.212 4.870 30 20 DJED C#CCCCCC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 773393249 WMZBHQKFJCDPPA-SFHVURJKSA-N 317.860 4.977 30 20 DJED CC[C@H](Cc1ccc(C)cc1)Nc1ccccc1O[C@H](C)C#N 780746329 YPWDKHBWYXIHPZ-SJLPKXTDSA-N 308.425 4.719 30 20 DJED CC1(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)CCCCC1 781468860 HZTVAUDEKHNIBN-LBPRGKRZSA-N 316.401 4.582 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2ccc3ncccc3c2)c(Cl)c1 788360398 JTUHDMQXGUWPIA-VMPITWQZSA-N 318.763 4.656 30 20 DJED COc1ccc(/C=C/C(=O)c2c(F)cccc2Cl)cc1F 809158485 ASNAOXOEYKTPBD-FNORWQNLSA-N 308.711 4.523 30 20 DJED Cc1cccc(C)c1-c1cccc(OC(=O)CC(C)(C)C#N)c1 811222682 VYDSGYDYBCRVIQ-UHFFFAOYSA-N 307.393 4.816 30 20 DJED C[C@@H]1Sc2sccc2C(=O)/C1=C\c1cccc(F)c1C#N 811692501 XEAMRLONLPRQTP-PPLKPFPSSA-N 315.394 4.519 30 20 DJED CSCc1cnc(/C=C/C(=O)c2ccc(C)c(C)c2)s1 834399168 ZKSUWVSCSLEWLZ-VOTSOKGWSA-N 303.452 4.519 30 20 DJED CCCCC[C@@H](CC)C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842941132 OFASGPQPVLFORM-OCCSQVGLSA-N 304.459 4.803 30 20 DJED O=C(/C=C/c1ccc2ccccc2c1)c1ccc2c(c1)OCCO2 916138356 HJTSAWZUNZJFIE-RMKNXTFCSA-N 316.356 4.507 30 20 DJED N#Cc1ccc(/C=C/c2ccc(SC(F)(F)F)cc2)nc1 917146531 PXVVVVHTHMBEEP-ORCRQEGFSA-N 306.312 4.736 30 20 DJED CCOc1cccc2cc(C(C)=NNc3cccc(F)c3)oc12 920383998 MBEMBZXATQMIDK-UHFFFAOYSA-N 312.344 4.807 30 20 DJED Cc1nc2ccccc2c(C(=O)OCCCCC(C)(C)C#N)c1C 1116818598 FIJPFYZWVCAEIZ-UHFFFAOYSA-N 324.424 4.729 30 20 DJED CCN(C[C@H](C)C#N)C(=O)[C@H]1CC12CCC(C(C)(C)CC)CC2 1141768260 OBMBAEQETUHGEV-NZEHOUKNSA-N 318.505 4.627 30 20 DJED N#Cc1cnc(Sc2nc3ccc(F)cc3s2)c(Cl)c1 1187594297 YQNKWZOPKJNJDE-UHFFFAOYSA-N 321.789 4.507 30 20 DJED N#Cc1nc(Nc2ccc3c(c2)CCCCC3)sc1Cl 1307158196 ZSPKKANTAKTXRH-UHFFFAOYSA-N 303.818 4.681 30 20 DJED CN(Cc1ccc(Cl)cc1C#N)[C@H]1CCC[C@@H]1C(C)(C)C 1307853047 OYBBYRJPAYGCQR-IRXDYDNUSA-N 304.865 4.858 30 20 DJED CCN(c1ccccc1)c1ccc(CNCC2(CC#N)CC2)cc1 1308391784 URTWPSOCLFUPPK-UHFFFAOYSA-N 319.452 4.628 30 20 DJED CCCCCCCCOCc1nnc(-c2ccc(Cl)nc2)o1 1328403081 NJKLORMRFUOMPS-UHFFFAOYSA-N 323.824 4.662 30 20 DJED CC(C)CN(C(=O)c1cccc(C2CC2)c1)c1ccc(C#N)cc1 1352726282 RYJRJFBIIFCUQO-UHFFFAOYSA-N 318.420 4.738 30 20 DJED CC(C)c1ccc2c(c1)[C@H](Nc1ncc(C#N)cc1Cl)CC2 1458341371 NKTRWZGXTUOIDO-QGZVFWFLSA-N 311.816 4.829 30 20 DJED N#Cc1cccc(C#N)c1N[C@@H]1CCCc2ccc(Cl)cc21 1458510587 QQRPEKBPCQAJCM-QGZVFWFLSA-N 307.784 4.573 30 20 DJED N#C[C@@H](c1ccccc1)N1CC=C(c2ccccc2Cl)CC1 1459786937 RWDCSAZEDIOKCJ-IBGZPJMESA-N 308.812 4.694 30 20 DJED Cc1ccnc(NC[C@@H]2CCC(C)(C)c3ccccc32)c1C#N 1472733164 SDCLNBMUTPCNCY-HNNXBMFYSA-N 305.425 4.529 30 20 DJED CC(C)(C)C[C@H](NC(=O)c1ccc(C#N)s1)c1ccccc1 1533743640 NCWJMOVHUHOQCD-HNNXBMFYSA-N 312.438 4.527 30 20 DJED CC[C@H](C)[C@@H](C(=O)O[C@@H](C)c1cccc(C#N)c1)c1ccccc1 1544187392 CYFJPVZNROMABW-TWOQFEAHSA-N 321.420 4.992 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1Oc1ccc(F)c(F)c1 1559049318 XJLZJSUCQHBUIA-UHFFFAOYSA-N 316.694 4.830 30 20 DJED CC(C)CCN(CCC#N)CCc1ccc(C(C)(C)C)cc1 1560657623 TXWPQQVRAAOWQE-UHFFFAOYSA-N 300.490 4.788 30 20 DJED C[C@@H](CC(=O)Nc1cc(C(C)(C)C)sc1C#N)c1ccco1 1583936672 ZWPVANSMLBNVDT-NSHDSACASA-N 316.426 4.643 30 20 DJED CCC[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@H](C)CC2 1595892011 NJAHJMSCSYUJKR-FDYHWXHSSA-N 316.470 4.680 30 20 DJED COc1cc(CN2C[C@H](C)CC[C@H]2c2ccccc2)ccc1C#N 1621326186 IMKINFYVTAFBEJ-UZLBHIALSA-N 320.436 4.540 30 20 DJED CCc1ccc(C2=CCN(Cc3cccc(C#N)c3F)CC2)cc1 1642534918 MAMNEOQFDDEOSS-UHFFFAOYSA-N 320.411 4.549 30 20 DJED C=C(Br)CSc1nc(C(C)C)nc2ccccc12 1643886688 MGIPKPLATADGGH-UHFFFAOYSA-N 323.259 4.754 30 20 DJED Cc1cc(C#N)ccc1CN(Cc1ccccc1F)CC(C)C 1652370409 WELOBZBNPDOALH-UHFFFAOYSA-N 310.416 4.664 30 20 DJED CC(C)(C)C1CCC(CNc2nc(Cl)c(C#N)s2)CC1 1655245541 WKIJOZJGRRJSAS-UHFFFAOYSA-N 311.882 4.933 30 20 DJED CC(=NNc1cccc(C(=O)O)c1C)c1csc2ccccc12 1776088944 SMNQSMDKCVHOPR-UHFFFAOYSA-N 324.405 4.744 30 20 DJED O=C(O)c1cccc(/C=C\C(=O)c2cccc3ccccc23)c1F 1776114385 OFNIAXULZWXHEF-QXMHVHEDSA-N 320.319 4.573 30 20 DJED C=CCOc1ccc(CN[C@H](C)c2ccc(Cl)s2)cc1 35253500 PVFYKENIAVBUBJ-GFCCVEGCSA-N 307.846 4.817 30 20 DJED C=C(C)CN(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 55102593 QNBLIDLJHJJWJE-INIZCTEOSA-N 308.425 4.508 30 20 DJED Cc1ccc(Br)c(N[C@H](C)c2ccc(C#N)cc2)c1 163790595 ZECTYAWYORKHMJ-GFCCVEGCSA-N 315.214 4.802 30 20 DJED C[C@H](N[C@@H](C)c1ccc(F)c(Cl)c1)c1cccc(C#N)c1 174357788 VODUPBGFCVHYLB-RYUDHWBXSA-N 302.780 4.763 30 20 DJED CC(C)(C)c1ccccc1NC(=O)c1cccc(SCC#N)c1 175503803 JLGMUNLPWKXMMC-UHFFFAOYSA-N 324.449 4.852 30 20 DJED Cc1cscc1C(=O)Nc1ccccc1S[C@H](C)CC#N 176576167 MVOOINFXTAIOBW-GFCCVEGCSA-N 316.451 4.703 30 20 DJED C[C@H](C#N)Oc1ccccc1NCc1cccc(C(F)(F)F)c1 181122210 RXRMZQVXQUGRNZ-GFCCVEGCSA-N 320.314 4.608 30 20 DJED COc1ccc2ccccc2c1CN[C@H](C)c1cccc(C#N)c1 181431309 IKHGBBZTHMVYKM-OAHLLOKOSA-N 316.404 4.571 30 20 DJED CC(C)c1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)cc1 194885086 MKPKWGJDARUMFJ-MRXNPFEDSA-N 308.425 4.563 30 20 DJED C=C(C)[C@H](N[C@H](C)c1cc(C)ccn1)c1ccc(F)c(F)c1 286215862 SBNRPVSLSLKYPX-ACJLOTCBSA-N 302.368 4.636 30 20 DJED Cc1ccccc1-c1noc(C)c1/C(O)=N/CC1(C2CC2)CCC1 330021491 XXGWCWISYUSYIG-UHFFFAOYSA-N 324.424 4.843 30 20 DJED CC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(OC)cc1 341760830 MTCVUCOACGAFAZ-NHCUHLMSSA-N 320.436 4.685 30 20 DJED N#CCC[C@H](NC/C=C\c1ccc(F)c(F)c1)c1ccccc1 352761329 WBULVNHJYBDCPG-VOFKWLDRSA-N 312.363 4.613 30 20 DJED CC[C@H](CC(=O)N(C)[C@H](C)c1cccc(C#N)c1)c1ccccc1 425123089 DGDKXDTVIDGJAM-SJLPKXTDSA-N 320.436 4.662 30 20 DJED Cc1ccc(SCC(F)(F)F)c(N[C@@H]2CC[C@H](C#N)C2)c1 442853732 JMQGHIIHDXXFTB-NWDGAFQWSA-N 314.376 4.754 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1cccc2cccnc12 482017404 VVFSPKPWJABQNL-UHFFFAOYSA-N 323.440 4.835 30 20 DJED C=CC[C@H](C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccccc1 487762839 RTJCFMIIOUXTCF-INIZCTEOSA-N 324.380 4.510 30 20 DJED Cc1cc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)sc1C 499325590 VDUMFROAEYXCDD-UHFFFAOYSA-N 312.438 4.539 30 20 DJED N#Cc1ccc(SCc2coc(-c3cccc(F)c3)n2)cc1 509640167 VUDZZHOLUQRJTG-UHFFFAOYSA-N 310.353 4.645 30 20 DJED CC(C)(C)[C@@H](NCc1cccc(C#N)c1)c1ccc(F)cc1F 531566958 JJCFDLYSKLQOMK-SFHVURJKSA-N 314.379 4.713 30 20 DJED CCC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(OC)cc1 531951128 AKORUZJWAQFLBJ-FOIQADDNSA-N 308.425 4.759 30 20 DJED N#Cc1ccc(CNc2cc(Cl)cc3cccnc23)c(F)c1 532570250 ZHRKXCHKCILFKL-UHFFFAOYSA-N 311.747 4.511 30 20 DJED Cc1ccc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)o1 542016937 AGPKDQBIJIYTDU-INIZCTEOSA-N 316.404 4.978 30 20 DJED CC(C)(NCC#Cc1ccc(C(F)(F)F)cc1)c1cccs1 542575380 GFPOVYHPEDBNSZ-UHFFFAOYSA-N 323.383 4.643 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc2ccccc12 557508067 JFXTZHVDECMWDO-QFIPXVFZSA-N 312.416 4.879 30 20 DJED C=CCC(C)(C)c1noc(C[C@@H](c2ccccc2)C(F)(F)F)n1 560023629 FYJJMZWETSUPGX-ZDUSSCGKSA-N 324.346 4.812 30 20 DJED C[C@H](Nc1cccc(Br)c1F)c1cccc(C#N)c1 600856528 AEFGFLDYJOHBKE-JTQLQIEISA-N 319.177 4.633 30 20 DJED CC(CCc1ccco1)=NNc1ccc(C#N)c(C(F)(F)F)c1 726425946 MFNYWMIWNNSOTM-UHFFFAOYSA-N 321.302 4.591 30 20 DJED CC(=NNc1ccc(OCC(F)(F)F)cc1)c1cccc(C)c1 727261438 AUADPVGOTNAYEY-UHFFFAOYSA-N 322.330 4.772 30 20 DJED Fc1ccc(NN=Cc2sc3ccccc3c2Cl)nc1 731318169 JDYCWFKZVKSLNS-UHFFFAOYSA-N 305.765 4.535 30 20 DJED CC/C=C(/C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 731331354 CWHCVZULKAJBNH-RZNTYIFUSA-N 306.365 4.645 30 20 DJED CCc1c(C(=O)/C=C/c2cnn(C(C)C)c2)oc2ccc(C)cc12 732713558 BZVBXMWOXUYGHZ-BQYQJAHWSA-N 322.408 4.977 30 20 DJED CC[C@H](C)C(C)=NNc1c(F)cc(F)cc1Br 741772175 QGDFRBJDYSFFQP-ZETCQYMHSA-N 305.166 4.561 30 20 DJED C[C@@H]1/C(=C\c2ccsc2)C(=O)c2cccc(Br)c21 742435282 SKURIMMACGAGDJ-SZJBZFAYSA-N 319.223 4.894 30 20 DJED CC(=NNc1cccc(Br)c1)c1ccc(C)s1 745989619 XJFPVGJTKJKMJQ-UHFFFAOYSA-N 309.232 4.655 30 20 DJED CCOc1cc(/C=C\C(=O)C2CCCCC2)cc(Cl)c1OC 747003231 FAXIJJMFSSRWTP-KTKRTIGZSA-N 322.832 4.910 30 20 DJED CCc1ccccc1NC(=S)N[C@@H](CCC#N)c1ccccc1 747711254 ZGIPRAQIFSOEQF-SFHVURJKSA-N 323.465 4.580 30 20 DJED CC[C@@H](c1ccccc1)N(CC)Cc1ccc(O[C@@H](C)C#N)cc1 768514913 MFGJVVUFOKTOBG-UWJYYQICSA-N 322.452 4.951 30 20 DJED CC(C)(C#N)CCCCOC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 768607901 MSDQWUNPQIDCRN-STQMWFEESA-N 319.367 4.618 30 20 DJED CC(C)Oc1cccc(CNc2ccc3cc(C#N)ccc3n2)c1 771652585 DGRDLKHAURUKAI-UHFFFAOYSA-N 317.392 4.506 30 20 DJED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(Nc2ccccc2)cc1 783534213 KBGIDDHKWPEUFY-FQEVSTJZSA-N 324.424 4.598 30 20 DJED C/C=C(\CC)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 789661923 ICZSHOMJVCFXMD-QUYDUYQHSA-N 318.420 4.759 30 20 DJED O=C(/C=C/C=C/c1ccc(F)c(F)c1)c1ccc(F)cc1F 794694567 FWTZHPJRPSVALH-ZPUQHVIOSA-N 306.258 4.695 30 20 DJED CCCCCCOCc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 799721643 PFUHPUZIRKBUJY-APWZRJJASA-N 300.446 4.888 30 20 DJED CCCCCCCCCC(=O)N[C@@H]1CCCC12CCOCC2 800193804 QRUABGLFLKFJCE-QGZVFWFLSA-N 309.494 4.593 30 20 DJED N#Cc1c(Cl)nsc1Sc1cc(Cl)ccc1F 804771169 JYMUCLYBSRQLAF-UHFFFAOYSA-N 305.186 4.612 30 20 DJED C=CC[C@@H](N[C@@H](C)c1ccc(Cl)cc1OC)c1ccncc1 817576982 BHYHQCHQZJJZMC-SUMWQHHRSA-N 316.832 4.712 30 20 DJED C=CC[C@H](c1ccccc1)c1nc(-c2ccc(F)cc2F)no1 904806434 JQVQGGOWCMLTOS-CQSZACIVSA-N 312.319 4.723 30 20 DJED CCc1ccc(C(C)=NNc2ncccc2C(F)(F)F)s1 915050099 DURAONIGRWXHKH-UHFFFAOYSA-N 313.348 4.560 30 20 DJED COc1ccc(/C=C/C(=O)c2c(C)[nH]c3ccccc23)cc1F 915114370 LKXZAKDPCXZWIO-VQHVLOKHSA-N 309.340 4.520 30 20 DJED C=CCN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C(C)C 916706160 JKSYESZFXFKRCR-UHFFFAOYSA-N 310.397 4.907 30 20 DJED CCCc1ccc(C(=O)/C=C/c2cccc(OCCOC)c2)cc1 917143265 WYWWDVQEDASQJW-JLHYYAGUSA-N 324.420 4.560 30 20 DJED N#Cc1ccc(F)c(CNCc2ccc(-c3ccccc3)s2)c1 1119662121 CHGWTAJRYBANRR-UHFFFAOYSA-N 322.408 4.716 30 20 DJED CN(c1ccc(Nc2ncccc2C#N)cc1F)C1CCCCC1 1162398875 RFXVIMMLOPYNNK-UHFFFAOYSA-N 324.403 4.605 30 20 DJED Cc1c(Cl)cnc(N(C)C[C@@H](C)C2CCCCC2)c1C#N 1163889099 AGNYEORGUOWLFW-GFCCVEGCSA-N 305.853 4.568 30 20 DJED N#Cc1ccc(OCc2ccc(Cl)cc2Br)cc1 1164575518 NHQDADVPHRSFEI-UHFFFAOYSA-N 322.589 4.553 30 20 DJED Cc1nc(NCc2ccc(-c3cccs3)cc2)ccc1C#N 1186973532 LDYGVXSNNXLNBR-UHFFFAOYSA-N 305.406 4.602 30 20 DJED Cc1cc(CN2C[C@H]3CCCC[C@]32c2ccccc2)ccc1C#N 1204633804 ZFNSXHLVIAYSFN-YADHBBJMSA-N 316.448 4.768 30 20 DJED CN(Cc1ccc(Sc2ccccc2)cc1)CC(C)(C)C#N 1205960357 NNZCEOIFBSREGE-UHFFFAOYSA-N 310.466 4.819 30 20 DJED CCCC[C@H](C)N(CCCC)Cc1ccc(C#N)c(OC)c1 1308780480 ZLUYXQUNMNHOMW-INIZCTEOSA-N 302.462 4.748 30 20 DJED CC(C)(C)[C@H](NC(=O)CC1(C#N)CCCCC1)c1ccccc1 1355942587 MVQWYRKJKUGTEJ-GOSISDBHSA-N 312.457 4.754 30 20 DJED C[C@@]1(c2ccccc2)CC[C@H](NCc2ccc(C#N)c(Cl)c2)C1 1462145076 NYBWJJWDMDDVLQ-AZUAARDMSA-N 324.855 4.812 30 20 DJED Cc1ccc(C(=O)N[C@@H](C)c2csc3ccccc23)cc1C#N 1463284555 GXJYXPGTUMTMPG-ZDUSSCGKSA-N 320.417 4.572 30 20 DJED CC(C)(C)C1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1465061410 HPLJBKJNNFEUOL-UHFFFAOYSA-N 319.836 4.502 30 20 DJED CCC[C@H]1CCCC[C@H]1CNC(=O)Nc1cccc(C#N)c1C 1476267063 RFLWCIGRNHLWBA-RDJZCZTQSA-N 313.445 4.595 30 20 DJED N#CC1(CC(=O)O[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCCCC1 1523968502 XEOBJRGTSIYMBT-BRWVUGGUSA-N 303.446 4.753 30 20 DJED Cc1c(C(=O)O[C@@H](C)c2ccc(C#N)cc2)oc2ccccc12 1533618818 HJYNDXFXHIEUEO-ZDUSSCGKSA-N 305.333 4.531 30 20 DJED CC(C)CC(CC(C)C)C(=O)Nc1ccc(C#N)cc1Cl 1534932881 XYGACRSZKDKVMQ-UHFFFAOYSA-N 306.837 4.859 30 20 DJED CC(C)CC(C)(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1539249077 FUHCFLVXAWSADF-UHFFFAOYSA-N 312.335 4.588 30 20 DJED C[C@H]1CCC[C@@H](C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 1543968205 IIGIONMIODGGPD-UONOGXRCSA-N 314.429 4.500 30 20 DJED CC(C)c1cnc(SCc2cccc(C#N)c2F)n1C1CC1 1559374863 SZLLAHOGMSTEDW-UHFFFAOYSA-N 315.417 4.644 30 20 DJED CCC(CC)CN(CCC#N)C[C@@H](OC)c1ccc(Cl)cc1 1559578632 ONAGDZBNNNLUBQ-GOSISDBHSA-N 322.880 4.679 30 20 DJED C[C@@H]1CC(C(=O)Nc2scc(C(C)(C)C)c2C#N)C[C@@H](C)C1 1584034003 MHHJYRSZVYTJDK-RYUDHWBXSA-N 318.486 4.928 30 20 DJED Cc1cc(CN(C)[C@@H]2CCC[C@H]2c2ccccc2)ccc1C#N 1621386295 XRLFTBZHNDSOAY-LEWJYISDSA-N 304.437 4.635 30 20 DJED Cc1nsc(NCc2cccc(Oc3ccccc3)c2)c1C#N 1639279949 XHEPKBGPLBTKJY-UHFFFAOYSA-N 321.405 4.728 30 20 DJED N#Cc1sc(NC[C@H]2CCC[C@H]2c2ccccc2)nc1Cl 1639960568 WNAGYKVSVXWHEV-OLZOCXBDSA-N 317.845 4.664 30 20 DJED C[C@H](NCc1ccc(Cl)cc1C#N)C(C)(C)c1ccccc1 1645138344 NBLHORJYYQAXMG-AWEZNQCLSA-N 312.844 4.668 30 20 DJED COc1ccccc1[C@@H]1CC[C@@H](C)CN1Cc1cccc(C#N)c1 1645588709 DYVGRAMMMXCCAS-UZLBHIALSA-N 320.436 4.540 30 20 DJED Cc1cc(CSc2ccc(C#N)c(C(F)(F)F)c2)ccn1 1656416208 YETSSMUTRUDRAG-UHFFFAOYSA-N 308.328 4.573 30 20 DJED N#Cc1ccc(CN[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)cc1 1657550042 PRMYWNPBGVAEJL-PKOBYXMFSA-N 310.828 4.638 30 20 DJED C[C@H](Cc1ccc(-c2ccccc2)cc1)NCC(C)(C)CC#N 1659422993 ZIXDXBGJLMEOGQ-QGZVFWFLSA-N 306.453 4.814 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1c(C)cccc1C 1776782972 BFSLXRFANBUXDS-KRWDZBQOSA-N 305.462 4.597 30 20 DJED N#CCCCCSc1nc(-c2ccco2)nc2ccccc12 125530706 DNNAVNKUBREIKG-UHFFFAOYSA-N 309.394 4.676 30 20 DJED N#Cc1ccc(CNc2ccc(CCC(F)(F)F)cc2)cc1 176955580 YAXVVYFUEQLQFD-UHFFFAOYSA-N 304.315 4.665 30 20 DJED N#CCc1ccc(NCc2cnc(-c3cccs3)s2)cc1 185154099 LVFUPRZJASJCFH-UHFFFAOYSA-N 311.435 4.550 30 20 DJED C=C(C)[C@@H](N[C@@H](C)c1ccc(F)cc1O)c1ccc(F)c(F)c1 186454561 LLPWJQBAOJXFJP-BBATYDOGSA-N 321.342 4.778 30 20 DJED CCCN(CC1CCCCC1)C(=O)Nc1ccc(CC#N)cc1 194328951 MJBHMLMMQMUSMC-UHFFFAOYSA-N 313.445 4.577 30 20 DJED Cc1c(C(=O)OCC(C)(C)CCC#N)cccc1-c1ccccn1 195067047 GHPNCWDBSRNFCS-UHFFFAOYSA-N 322.408 4.544 30 20 DJED Cc1cccc(-c2cncc(C(=O)OCC(C)(C)CCC#N)c2)c1 195091588 XLUPLBJRUXOMQI-UHFFFAOYSA-N 322.408 4.544 30 20 DJED Cc1c(C(=O)/C=C\c2ccccc2[N+](=O)[O-])oc2ccccc12 205512062 OJLLUBKKXBLOMG-KHPPLWFESA-N 307.305 4.546 30 20 DJED N#Cc1cccc(C2(N[C@@H]3CCSc4c(F)cccc43)CC2)c1 272331772 YANRFUYIRXUOQV-QGZVFWFLSA-N 324.424 4.513 30 20 DJED C[C@@H]1CCC[C@@H](COc2ccc(Br)cc2C#N)C1 302458738 YGHYBOWTFLOSFW-VXGBXAGGSA-N 308.219 4.526 30 20 DJED N#Cc1ccccc1N(Cc1ccco1)C(=O)CCC1CCCC1 354863739 TVZKJBMEBNKWED-UHFFFAOYSA-N 322.408 4.655 30 20 DJED N#CC1(CC[S@](=O)c2ccc3ccccc3c2)CCCCC1 414232634 IEQSUFFBVKQNOZ-QFIPXVFZSA-N 311.450 4.812 30 20 DJED N#Cc1ccc(CN[C@H](c2ccccc2)C2CCC2)c(Cl)c1 439430099 HSPSYINQAWGAMD-LJQANCHMSA-N 310.828 4.843 30 20 DJED C=CCCCCCSc1nnc(Cc2cccc(F)c2)o1 447311106 FGJBFNKXPOYMOG-UHFFFAOYSA-N 306.406 4.638 30 20 DJED Cc1cc(N2CCCC[C@@H]2C)ccc1N[C@H]1CCC[C@@H](C#N)C1 463301120 OEWZMTDOZQZNOG-KSZLIROESA-N 311.473 4.868 30 20 DJED CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 476372839 JHONGCFYEJPIKA-MAUKXSAKSA-N 312.457 4.529 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1cc2c(C)cc(C)cc2[nH]1 493721540 FHYBTMJUAXLYLP-UHFFFAOYSA-N 324.449 4.675 30 20 DJED C=CCN(CC=C)C(=O)[C@@H](C)S[C@@H](C)c1cccc(Cl)c1 498110095 NCEAHLFDMNTIGC-UONOGXRCSA-N 323.889 4.723 30 20 DJED CCCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 515723389 WFQJSSRGGZHOOL-UHFFFAOYSA-N 314.772 4.743 30 20 DJED CC(C)Cc1cccc([C@H](C)C(=O)Nc2sccc2C#N)c1 517256718 ILQHHUBWFOCRPT-ZDUSSCGKSA-N 312.438 4.560 30 20 DJED C=CC[C@@H](C)NC(=O)c1ccc(-c2ccc(Cl)cc2)s1 522636806 RWICBNZCSHPVNX-LLVKDONJSA-N 305.830 4.763 30 20 DJED C=C(C)CN(CC)C(=O)[C@@H](C)S[C@@H](CC)c1ccc(F)cc1 523391866 OWPHVTPWFKMQIS-PBHICJAKSA-N 323.477 4.823 30 20 DJED N#Cc1ccc(Oc2ccc(NC(=O)C3=CCCCC3)cc2)cc1 525874858 FUHIOJNVVRPOJI-UHFFFAOYSA-N 318.376 4.789 30 20 DJED Cc1ccc(-c2ncc(-c3nc4ccc(C#N)cc4[nH]3)s2)cc1 533918349 VZSVVCWKQLVFHR-UHFFFAOYSA-N 316.389 4.534 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc(O)c2ccccc12)c1ccccc1 536313299 MXWBHGMICCOFON-HNNXBMFYSA-N 317.388 4.844 30 20 DJED C=CCCOCCCCC(=O)N(C)[C@@H](C)c1ccc(C)cc1C 538265921 LDDDLCUAHMPAHE-SFHVURJKSA-N 317.473 4.586 30 20 DJED CC[C@@H](CC(=O)N[C@@](C)(C#N)C1CCCCC1)c1ccccc1 550747941 KWVBQAXSDFYJCL-JXFKEZNVSA-N 312.457 4.549 30 20 DJED CC(C)Oc1ccc(Cl)cc1NCc1cc(C#N)cs1 570369417 RAUVIZOOUWSCET-UHFFFAOYSA-N 306.818 4.672 30 20 DJED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(Cl)s1 571350469 SQUUOQRQMAZRNA-NSHDSACASA-N 302.830 4.613 30 20 DJED CC(C)(C)c1ccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)cc1 571713059 IYUCLZOTHHZBIN-FQEVSTJZSA-N 312.457 4.576 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)c2cccc(C3CC3)c2)cc1 578783851 POTZDPRBIMJCHP-UHFFFAOYSA-N 304.393 4.617 30 20 DJED CC[C@@H](c1ccccc1)N(C(=O)c1ccc(CC#N)cc1)C(C)C 598886629 WSVDWNRUVYQNRB-FQEVSTJZSA-N 320.436 4.755 30 20 DJED C[C@@H]1C[C@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603673206 KYTQQKCJELFLQO-CSMYWGQOSA-N 324.811 4.590 30 20 DJED C=C(C)COc1cccc(NC(=O)N2CCC[C@H](CC)CC2)c1 605032497 UQNOXSXUXUUQJE-INIZCTEOSA-N 316.445 4.686 30 20 DJED CCc1c(N[C@H](CC)c2ccc(C#N)cc2)cnn1CC(C)C 618574779 LQMVBLWSXNCVOQ-QGZVFWFLSA-N 310.445 4.536 30 20 DJED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(F)c(Cl)c1 618801288 ABCSYKKWRKRBQN-VOJFVSQTSA-N 314.791 4.689 30 20 DJED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cnc2ccsc2c1 618805123 CZEXYQDUKFZZRB-SJCJKPOMSA-N 319.433 4.506 30 20 DJED C=C[C@@H](CC(=O)N1CC(C)(C)[C@@H]1c1ccccc1)c1ccccc1 677523275 DWFIRASUBPKPNI-UWJYYQICSA-N 319.448 4.956 30 20 DJED CC(C)(C)[C@H]1CCCN(c2ccc(C#N)c(Br)c2)C1 708501237 CRRFPJQHHBLELX-ZDUSSCGKSA-N 321.262 4.583 30 20 DJED CCCCCCOc1cccc(CNCc2cccc(C#N)c2)c1 727466489 VNBCTOGDLMCMKO-UHFFFAOYSA-N 322.452 4.807 30 20 DJED COc1cc(/C=C/C(=O)c2cccc(C)c2C)ccc1SC 734305020 FJFAGPNNGRVCPH-CSKARUKUSA-N 312.434 4.930 30 20 DJED C=C(Cl)CNC(=O)Nc1cccc(CSC(C)C)c1C 743204583 HHVSNIAVRLZFGT-UHFFFAOYSA-N 312.866 4.511 30 20 DJED CCN(C)c1ccc(C(C)=NNc2cccc3cnccc23)cc1 748074929 CQVSYLZKLGYSPG-UHFFFAOYSA-N 318.424 4.527 30 20 DJED O=C1/C(=C\c2coc(-c3ccccc3)n2)CCc2sccc21 749891578 NFUAEFDEUMTNIJ-RAXLEYEMSA-N 307.374 4.616 30 20 DJED COc1ccc(/C=C\C(=O)c2cc(F)ccc2F)cc1Cl 757474912 NNRHFNTXFSYMHZ-KXFIGUGUSA-N 308.711 4.523 30 20 DJED O=C(/C=C\c1ccc(Cl)nc1Cl)c1c[nH]c2ccccc12 761477326 MXOGDLVMGCCGND-ALCCZGGFSA-N 317.175 4.766 30 20 DJED COc1ccsc1/C=C\C(=O)c1cccc(Cl)c1Cl 764431781 FTLYQDAQCNRBMG-WAYWQWQTSA-N 313.205 4.960 30 20 DJED C=CCC[C@H](CCC)N[C@@H](c1ccccc1)c1nccs1 765490441 VWPJOZYHPMCZDD-IRXDYDNUSA-N 300.471 4.957 30 20 DJED C#CCCCCC(=O)N(Cc1ccccc1F)c1ccccc1 776303093 CCCLILNQAYURCC-UHFFFAOYSA-N 309.384 4.553 30 20 DJED C=CCN(C(=O)Nc1ccc(OC(C)C)cc1Cl)C(C)C 782103792 PXWSPYUKJQLVII-UHFFFAOYSA-N 310.825 4.556 30 20 DJED Cc1c(C(=O)/C=C\c2ccc(F)c(Cl)c2)cnn1C(C)(C)C 787185832 JBWDTYJPDRGHIF-VURMDHGXSA-N 320.795 4.635 30 20 DJED COc1ccccc1CON=C1CCC[C@H](c2ncccc2C)C1 799118455 HEHAGSHDYVICEN-INIZCTEOSA-N 324.424 4.629 30 20 DJED Cc1cc(Cl)cc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)c1O 808680938 QVKGWTXYAWUWOJ-CHWSQXEVSA-N 314.816 4.638 30 20 DJED COCc1ccccc1/C=C(/C)C=NN[C@@H](C)c1ccccc1 814220338 WCOYCFHBODEDMD-ZKFRBYCTSA-N 308.425 4.573 30 20 DJED Cn1c(Cl)nc(Cl)c1/C=C/C(=O)c1cccc(C2CC2)c1 834444554 HHGPXEPUHASGFD-BQYQJAHWSA-N 321.207 4.500 30 20 DJED N#Cc1cccc(C=NN(Cc2ccccc2)c2ccccc2)c1 839383932 RVKXNJOIUMECPJ-UHFFFAOYSA-N 311.388 4.599 30 20 DJED CC(C)CC(=NNc1nncc2ccccc12)c1cccs1 917531625 CWKVLXJSVOMJKW-UHFFFAOYSA-N 310.426 4.554 30 20 DJED CCCCCCCCC(=O)Nc1ccc(Cn2cccn2)cc1 918620465 MVHCIDHCFXEAAU-UHFFFAOYSA-N 313.445 4.621 30 20 DJED CC(C)(C)CN(CCC#N)Cc1c(Cl)oc2ccccc12 1191131786 HKZIOQRKAZRYHS-UHFFFAOYSA-N 304.821 4.848 30 20 DJED C=C(Cl)COc1ccc(Br)cc1C(F)(F)F 1307351219 RMSSPRALWABEQX-UHFFFAOYSA-N 315.516 4.599 30 20 DJED Cc1ccc2c(Cl)c(C(=O)O[C@H]3CC[C@@H](C#N)C3)sc2c1 1343332200 SSNXWZZEZSZTMM-MNOVXSKESA-N 319.813 4.712 30 20 DJED C[C@@H]1CCC[C@H](OCc2cccc(Nc3ccc(C#N)cn3)c2)C1 1472674452 JDGPXZNYROZZFV-BEFAXECRSA-N 321.424 4.792 30 20 DJED Cc1nc(N[C@@H]2C[C@@H](C)C[C@@H](c3ccccc3)C2)ccc1C#N 1472804480 BKALNDZUMQKKNU-GDIGMMSISA-N 305.425 4.646 30 20 DJED Cc1ccc(C#N)cc1C(=O)N(Cc1ccccc1)CC(C)(C)C 1528858034 RNKQLXZFDRSDAF-UHFFFAOYSA-N 320.436 4.555 30 20 DJED C[C@H](CCC1CCCCC1)NC(=O)[C@@H](CC#N)c1ccccc1 1529376530 WUOMMDDJBFRPNV-APWZRJJASA-N 312.457 4.549 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)N(CCC#N)Cc1ccco1 1542438696 REURBHFDVSLYET-QGZVFWFLSA-N 316.445 4.518 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(SCC2CCCCC2)n1 1559352244 GEPWXVFWGGGRRK-UHFFFAOYSA-N 314.376 4.953 30 20 DJED C[C@H](S[C@@H]1CC[C@@H](C#N)C1)c1cccc(Br)c1 1559419254 XBQIHHHPBDSYLY-MISXGVKJSA-N 310.260 4.936 30 20 DJED N#Cc1ccc(CCN2CCCCC[C@@H]2c2ccccc2)cc1 1559513704 YDXXJFVYXUGFGN-OAQYLSRUSA-N 304.437 4.718 30 20 DJED CCN(CCC#N)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 1559578964 XYAXCWZVVZDZBZ-SFHVURJKSA-N 316.807 4.804 30 20 DJED C[C@H](CNc1cccc(C#N)c1)c1cccc(Br)c1 1560724614 PKZAMYAIOYNKAE-GFCCVEGCSA-N 315.214 4.536 30 20 DJED Cc1cc(CN2CCc3ccc(C(C)C)cc3C2)ccc1C#N 1560921948 DGHDBIKRVUNYTH-UHFFFAOYSA-N 304.437 4.548 30 20 DJED Cc1cc(C#N)cc(NC(=O)CCc2ccc(CC(C)C)cc2)c1 1584930583 SPMWTTQERFKTBQ-UHFFFAOYSA-N 320.436 4.637 30 20 DJED CC(C)[C@H](Nc1ncc(C#N)cc1F)c1ccc(Cl)cc1 1611766202 FMIQTIKDHHQBHW-HNNXBMFYSA-N 303.768 4.555 30 20 DJED CC[C@@H](C)C[C@H](C)Nc1c(C#N)cnc2c(Cl)cccc12 1612027496 FVQPELDEDQLVQC-NEPJUHHUSA-N 301.821 4.996 30 20 DJED Cc1nc(N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)ccc1C#N 1612500901 WKDSCDYLCFZAKD-RHSMWYFYSA-N 311.816 4.663 30 20 DJED C[C@@]1(CCc2ccccc2)CCN(c2cccc(F)c2C#N)C1 1642370961 XXTKBSKVJQVBIA-HXUWFJFHSA-N 308.400 4.547 30 20 DJED Cc1ccc(Sc2c(Br)cccc2C#N)s1 1642796710 BUVYZTCLWPSAHV-UHFFFAOYSA-N 310.241 4.842 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1CC[C@@](C)(CCc2ccccc2)C1 1644758917 HCDOSTLSCIMBCI-PGRDOPGGSA-N 318.464 4.964 30 20 DJED COc1ccc(C#N)cc1CN[C@H](CC(C)(C)C)c1ccccc1 1657976149 OJFJDWFBJWOAPF-LJQANCHMSA-N 322.452 4.834 30 20 DJED C[C@@H]1CC[C@H](Nc2ccc(Oc3ccnc(C#N)c3)cc2)C[C@H]1C 1658056353 NAIGXBBRQSNZQI-INMHGKMJSA-N 321.424 4.982 30 20 DJED N#CC1(CNCc2ccc(-c3ccc(Cl)cc3)s2)CCC1 1658744833 ODZGWMFWEDQTKA-UHFFFAOYSA-N 316.857 4.852 30 20 DJED C=CCC1(C=NNc2ccc(Cl)c(C(=O)O)c2)CCCCC1 1776034682 SVQNRLLXWHKOMI-UHFFFAOYSA-N 320.820 4.963 30 20 DJED C=CCCC1(C(=O)O)CCN([C@H](C)c2ccc(Cl)cc2)CC1 1776167923 CPECTTAQWKZQBE-CQSZACIVSA-N 321.848 4.534 30 20 DJED Cc1cccc(Oc2ccc(NC(=O)C3(C#N)CCCC3)cc2)c1 7334386 GYWONNRSGJKOLT-UHFFFAOYSA-N 320.392 4.810 30 20 DJED COc1cccc(/C=C/C(=O)c2cc(Cl)sc2Cl)c1 18065574 AITASOZQZGPLIN-AATRIKPKSA-N 313.205 4.960 30 20 DJED Cc1csc([C@H](C#N)C(=O)c2ccc(C3CCCCC3)cc2)n1 41519377 ZORFXHOUWJKLLR-QGZVFWFLSA-N 324.449 4.989 30 20 DJED Cc1nc(-c2ccccc2)sc1[C@@H](C)Nc1ccc(C#N)cn1 53584336 MRUINAWPZZJRIO-GFCCVEGCSA-N 320.421 4.558 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)CC2CCCCCC2)n1 79172705 RNPKHRWLVYUPLC-CQSZACIVSA-N 304.459 4.803 30 20 DJED CC(C)(C#N)CCCNc1ccccc1NC(=O)c1ccccc1 133676570 LXPCGAMQKBCSTE-UHFFFAOYSA-N 321.424 4.681 30 20 DJED C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)c2cccnc2)cc1 158569739 PTALIINIOUEGJV-HUUCEWRRSA-N 316.832 4.625 30 20 DJED Cc1c(Br)cccc1N[C@H](C)c1ccc(C#N)cc1 227599642 RXAAAGOQHGDGME-GFCCVEGCSA-N 315.214 4.802 30 20 DJED C[C@@H]1CCCCN1Cc1ccc(NCc2cccc(C#N)c2)cc1 237352260 GFEFVNZKXYFQJT-QGZVFWFLSA-N 319.452 4.545 30 20 DJED N#CCCCOc1cccc(CNC2CCCCCCC2)c1 237818757 IKJLROQEXJHBDW-UHFFFAOYSA-N 300.446 4.572 30 20 DJED Cc1sccc1C(=O)Nc1sc(C(C)(C)C)cc1C#N 297845852 RUTXLPWTPYEPTK-UHFFFAOYSA-N 304.440 4.540 30 20 DJED C[C@@H](Nc1cc(Cl)ccc1C#N)c1cccc(OC(F)F)c1 302937467 JZCZYGAEYQNSRC-SNVBAGLBSA-N 322.742 4.986 30 20 DJED CC(C)C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccn1 341878900 SQALGTHIZVRNHM-TZIWHRDSSA-N 319.452 4.708 30 20 DJED N#Cc1ccc(Cl)cc1Oc1nccc(Oc2ccccc2)n1 432829202 MWCTWAZTKSAOFM-UHFFFAOYSA-N 323.739 4.586 30 20 DJED C=CCC[C@H](NC(=O)N1CCC[C@@H]1C(C)C)c1ccccc1 435093774 GPMUNXFMSVXCMW-ZWKOTPCHSA-N 300.446 4.524 30 20 DJED CC(=O)c1cccc(C(F)(F)F)c1OCCCC(C)(C)C#N 439254939 AGCNCDJCYQVTQO-UHFFFAOYSA-N 313.319 4.617 30 20 DJED Cc1ccc(/C=C/CC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 440530209 JENSFUWJUKYBIQ-SNAWJCMRSA-N 318.420 4.838 30 20 DJED Cc1ccc(-c2nc(CSc3cccc(C#N)c3)cs2)o1 468652844 SSQYBYGVWZYKLY-UHFFFAOYSA-N 312.419 4.876 30 20 DJED C=CCCCC(=O)Nc1ccccc1CN(C)c1ccccc1 469185563 ZQIBQOMTMCYIHQ-UHFFFAOYSA-N 308.425 4.618 30 20 DJED C=C(C)[C@H](NCc1ccc(F)c(F)c1)c1ccc(F)c(F)c1 479416652 ZEGHJCUDHCGTNH-KRWDZBQOSA-N 309.306 4.650 30 20 DJED N#CCCCSCCCCOc1ccccc1C(F)(F)F 479500839 JTNUIACWBWJQTB-UHFFFAOYSA-N 317.376 4.901 30 20 DJED N#CC[C@H](CC(=O)Nc1cc(F)cc(Cl)c1)c1ccccc1 483845689 DRHWBVQYWIOVHH-CYBMUJFWSA-N 316.763 4.505 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1ccc(C)cc1F 484996483 PTSHETAXMNLZMA-UHFFFAOYSA-N 304.409 4.734 30 20 DJED C=CC[C@@H](C(=O)Nc1cccc(C(=O)CC)c1)c1ccccc1 489713144 IVLFVIOKJLDDCC-GOSISDBHSA-N 307.393 4.578 30 20 DJED Cc1ccc(C)c(N(CCCC2(C#N)CCOCC2)C(C)C)c1 499521926 ITLCPOKUBFOXTB-UHFFFAOYSA-N 314.473 4.619 30 20 DJED CCc1cccc(CC)c1NC(=O)c1cc(C#N)ccc1Cl 507757015 IHWWGGDHHGLFNA-UHFFFAOYSA-N 312.800 4.589 30 20 DJED CCC(CC)CN(CCC#N)Cc1cnc(C(C)(C)C)s1 513729891 SKIVWRIAEXVOTC-UHFFFAOYSA-N 307.507 4.592 30 20 DJED C[C@@H](CC#N)N(C)Cc1ccc(-c2ccccc2Cl)s1 513732584 HMHCMZZGDHMTMZ-LBPRGKRZSA-N 304.846 4.802 30 20 DJED CCCN(C(=O)c1ccc(CC#N)cc1)[C@H](CC)c1ccccc1 536099234 RSXVWUACFMGJAE-HXUWFJFHSA-N 320.436 4.756 30 20 DJED C=CCC[C@@H](NC(=O)c1cc(C#N)ccc1Cl)c1ccccc1 560600130 TWLJUTFFWDLSCQ-GOSISDBHSA-N 324.811 4.649 30 20 DJED C=CC[C@H](C)[C@@H](C)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 573843638 VKKLSQATMBQNHZ-YNEHKIRRSA-N 319.836 4.641 30 20 DJED Cc1ccccc1[C@H](NC(=O)CCCCCC#N)C(C)(C)C 588640317 LZSYKKHQQBTXEU-SFHVURJKSA-N 300.446 4.673 30 20 DJED C=CCCN[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 606896330 IAIKQKZOCBSKRL-KRWDZBQOSA-N 303.352 4.543 30 20 DJED C=CCCCS[C@H](C)C(=O)N[C@H](C)c1ccc(CC)cc1 609804923 WJSASXMOSDSKIM-HUUCEWRRSA-N 305.487 4.514 30 20 DJED CCC[C@@H](NCc1ccc(C#N)cc1C)c1ccc(F)cc1F 614407767 YTCKWTBGTIWMIC-LJQANCHMSA-N 314.379 4.776 30 20 DJED C[C@H](CC#N)OC(=O)c1ccc(-c2ccc(Cl)cc2)s1 733709382 CZSRQGZKRKZUDI-SNVBAGLBSA-N 305.786 4.527 30 20 DJED CCc1ccc(/C=C\C(=O)c2c(Cl)nc3ccccn23)s1 737446582 WUMXLJUKXNXOFC-HJWRWDBZSA-N 316.813 4.508 30 20 DJED Oc1ccccc1C=Nc1ccc(Oc2ccc(Cl)cn2)cc1 743044219 HJINQQUUYBEDHB-UHFFFAOYSA-N 324.767 4.984 30 20 DJED COc1cc(/C=C\C(=O)c2cc(C)ccc2C)ccc1SC 746342404 SCHIJTPRSPBHTL-CLFYSBASSA-N 312.434 4.930 30 20 DJED N#Cc1ccccc1/C=C/C(=O)N1CCC[C@@H]1CC1CCCCC1 747192053 VUIDOWRMVJVNEZ-DRUFCSCSSA-N 322.452 4.533 30 20 DJED CC(=C/c1ccccc1)/C=C1/COc2c(F)cc(F)cc2C1=O 750914334 WDUZKWNAUVVNNW-FFNMSDODSA-N 312.315 4.570 30 20 DJED CC(=NNc1ccc2ccccc2n1)c1sc(C(C)C)nc1C 751130928 IHYBTFBODMWKEQ-UHFFFAOYSA-N 324.453 4.959 30 20 DJED COc1ccc(/C=C/C(=O)c2cc3ccc(C)cc3o2)cc1OC 754830589 SWJTVVCPFQYCBX-VMPITWQZSA-N 322.360 4.655 30 20 DJED C#CC[C@H](NC(=O)Nc1cc(C)ccc1Cl)c1ccccc1 757900678 FSGIBQTVNQRKID-INIZCTEOSA-N 312.800 4.535 30 20 DJED C=CCC(CC=C)C(=O)N1CCCSc2cc(C)ccc21 778272224 CBUXHSTWAWRRML-UHFFFAOYSA-N 301.455 4.592 30 20 DJED Fc1cccc(F)c1NN=Cc1c(Cl)ccc2cccnc12 781127353 MNSXBBJTXQGVEV-UHFFFAOYSA-N 317.726 4.612 30 20 DJED CC(=O)Nc1ccc(C(=O)/C=C/c2csc3ccccc23)cc1 781552666 CDGRNVVEGITWLA-DHZHZOJOSA-N 321.401 4.756 30 20 DJED CC(=O)Nc1ccc(C(=O)/C=C\c2ccc3ccccc3c2)cc1 781553162 MYNHAHWCUIFRHN-QPEQYQDCSA-N 315.372 4.694 30 20 DJED CC[C@@H](CC#N)OC(=O)c1cc(-c2ccc(F)cc2)c(C)s1 787078071 HMZBVJRWPSYMLV-AWEZNQCLSA-N 317.385 4.712 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc(Cl)s2)c(C)c1OC 794740715 UCVAGJFDPIIRJF-DAXSKMNVSA-N 322.813 4.623 30 20 DJED CC(C)(C)CCCC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797568741 LPRCXVUDCLRCEC-GFCCVEGCSA-N 306.475 4.833 30 20 DJED Cc1nn(C(C)C)cc1/C=C/C(=O)c1cc(Cl)ccc1Cl 798369468 HXZBZQCOBNZUBP-QPJJXVBHSA-N 323.223 4.975 30 20 DJED CC(=NNc1ccccc1C(F)(F)F)c1coc(C(C)C)n1 799465053 XWPXAQQVXOWZNV-UHFFFAOYSA-N 311.307 4.653 30 20 DJED Clc1cccc([C@@H]2CCC(=NOCc3cccnc3)C2)c1 841633356 OLPBXFNWOHDZBT-OAHLLOKOSA-N 300.789 4.575 30 20 DJED CC[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(C#N)c1 902874773 IXDCGUOLHPQJOJ-KDOFPFPSSA-N 323.396 4.577 30 20 DJED CN(CCCCC1(C#N)CCC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 930506422 WHZGEISRPSFCCX-GASCZTMLSA-N 316.411 4.903 30 20 DJED CC1(C)CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 1190744351 TVJSBNYEEWNLAH-UHFFFAOYSA-N 304.437 4.847 30 20 DJED Cc1ccc2c(c1)N(Cc1ccccc1C(C)(C)C#N)CCC2 1190966237 OZAZMMBYEQGFMD-UHFFFAOYSA-N 304.437 4.749 30 20 DJED CC(C)C[C@@H]1CCCCCN1C(=O)c1ccc(Cl)c(C#N)c1 1360814965 OOIFFLVOHWHTBL-INIZCTEOSA-N 318.848 4.643 30 20 DJED N#CC[C@H]1CCCN(Cc2ccc(Sc3ccccc3)cc2)C1 1462431497 ULZXBUBRDKKQBM-QGZVFWFLSA-N 322.477 4.963 30 20 DJED N#Cc1ccc(SCCc2cccs2)cc1C(F)(F)F 1473011063 RYVXJZYGGLPRHE-UHFFFAOYSA-N 313.369 4.973 30 20 DJED C=C(CNCc1cc(Br)c(C)s1)c1ccccc1 1473982633 XGNFCSAQEJYRMX-UHFFFAOYSA-N 322.271 4.622 30 20 DJED CC(C)(NC(=O)Nc1ccc(C#N)cc1Cl)C1CCCCC1 1476276130 DSUYWERXLXKKHB-UHFFFAOYSA-N 319.836 4.692 30 20 DJED Cc1ccc(CN(C(=O)CC2(C#N)CCCCC2)C2CC2)cc1C 1523179711 JPBNROPDDLFYRI-UHFFFAOYSA-N 324.468 4.659 30 20 DJED N#Cc1ccc(F)c(COC(=O)c2ccc(C3CCCC3)cc2)c1 1533991239 GDEBSBJPROKJHY-UHFFFAOYSA-N 323.367 4.712 30 20 DJED Cc1cc(CN[C@H]2c3ccccc3CC[C@H]2C(C)C)ccc1C#N 1560433669 UGYIGVYCMLFZKE-RBBKRZOGSA-N 318.464 4.916 30 20 DJED CCc1ccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1CC 1584414845 BXDFEXHUTUJKNU-OAHLLOKOSA-N 320.436 4.516 30 20 DJED N#Cc1ccc(CSc2nc3ccccc3n2C(F)F)s1 1613400765 UMNXWWQEFGLWHL-UHFFFAOYSA-N 321.377 4.657 30 20 DJED C[C@@H]1CCCc2ccccc2[C@H]1NCc1cccc(F)c1C#N 1652121291 YNLVRCPLSIMIGT-VLIAUNLRSA-N 308.400 4.501 30 20 DJED CC[C@](C)(CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)OC 1657748798 GMMPOHQPIYFFFE-HRAATJIYSA-N 322.452 4.691 30 20 DJED C[C@H](NC1CC(C#N)(c2ccccc2)C1)c1cccc(C2CC2)c1 1664838080 OYPLAHIEWODBQP-XDGVHFHYSA-N 316.448 4.839 30 20 DJED Cc1csc(NC(=O)N(CCC(C)C)C2CCCC2)c1C#N 1671134582 UFNDREUCJJOCIF-UHFFFAOYSA-N 319.474 4.751 30 20 DJED O=C(O)c1cc(C=NN(c2ccccc2)c2ccccc2)cs1 1776032631 FSOWGKMWFDSNBE-UHFFFAOYSA-N 322.389 4.619 30 20 DJED CC(CCCCCCC(=O)O)=NN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 1776057117 KAUGOORJACGUDP-JTDSTZFVSA-N 322.493 4.592 30 20 DJED C=C(C)CNC(=S)Nc1ccc(SC2CCCC2)cc1 45879955 JJWJTWMPXHLZQD-UHFFFAOYSA-N 306.500 4.584 30 20 DJED C[C@H](NC(=O)Nc1cccc2ccccc12)c1ccc(C#N)cc1 47956008 NKGAZFKCJBTRJV-AWEZNQCLSA-N 315.376 4.594 30 20 DJED CCOc1ccc(C(F)(F)F)cc1NCc1ccc(C#N)cc1 63479493 GSCKLLCOIWMCCX-UHFFFAOYSA-N 320.314 4.588 30 20 DJED C[C@H](N[C@@H](C)c1ccc(OC(F)F)cc1)c1ccc(C#N)cc1 78973526 SGLCAODVSBBAEX-STQMWFEESA-N 316.351 4.571 30 20 DJED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(F)c(F)c1 90664553 AAOUCDGCGCWRQJ-UGSOOPFHSA-N 300.352 4.660 30 20 DJED C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCC2 90664905 JLRPATNCLFUYEG-HRAATJIYSA-N 304.437 4.871 30 20 DJED C=CCC[C@H](NC(=O)N(C)[C@H](C)c1ccco1)c1ccccc1 160443459 XEGKGKQFJUQXMO-WBVHZDCISA-N 312.413 4.690 30 20 DJED CC(C)Oc1cccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 192991076 QFTAPMDMRLKCSJ-JKSUJKDBSA-N 308.425 4.757 30 20 DJED O=C(/C=C\c1cccc(F)c1)c1ccc(N2CCCCC2)cc1 210429098 MGYXWPVZTLESGW-GHXNOFRVSA-N 309.384 4.712 30 20 DJED C[C@@H](c1cccc(Cl)c1)N(C)Cc1ccc(F)c(C#N)c1 229748836 OIPIEXSPRLSVMR-LBPRGKRZSA-N 302.780 4.544 30 20 DJED C=CCN(C(=O)CCC(C)C)c1nc(-c2ccccc2)cs1 248265334 OAOZIPXUQWMYMS-UHFFFAOYSA-N 314.454 4.765 30 20 DJED C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2cccc(Cl)c2)cc1 254956313 QOMLSFWWJLHRPB-SZNGSJQDSA-N 311.768 4.527 30 20 DJED CC(C)(C#N)CCCC[S@@](=O)[C@H]1CCCc2ccccc21 278341467 UXVNUTOQRLNXTE-LAUBAEHRSA-N 303.471 4.533 30 20 DJED CC[C@H](CC1CCCCC1)/C(O)=N/[C@@H]1CCC(O)=NC12CCC2 328727404 DFCMUGKBEAJZJX-HZPDHXFCSA-N 320.477 4.981 30 20 DJED CC[C@@H](C)CCC(=O)N(Cc1ccco1)c1ccccc1C#N 341098217 UKNIEYUNBRIZNI-OAHLLOKOSA-N 310.397 4.511 30 20 DJED Cc1nc(-c2ccc([C@@H](C)Nc3cc(C#N)ccn3)cc2)cs1 341740235 FAMOOKAUJGDXOL-GFCCVEGCSA-N 320.421 4.558 30 20 DJED C=CCC(CC=C)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 343478236 HNIKTKXWHAAZFO-HNNXBMFYSA-N 321.873 4.762 30 20 DJED C[C@@H](CCc1ccc(F)cc1)N[C@@H](CCC#N)c1ccccc1 358330631 RJYDBFFFABXPFG-JXFKEZNVSA-N 310.416 4.781 30 20 DJED C[C@H]1C[C@H]1c1ccc(CNc2ccc(C#N)c(C(F)(F)F)c2)o1 390385771 ZKLHJGNQRKRTIX-IINYFYTJSA-N 320.314 4.906 30 20 DJED N#Cc1ccccc1COc1cccc(CNC2CCCCC2)c1 409635215 BBEDMERSGPHQAT-UHFFFAOYSA-N 320.436 4.560 30 20 DJED C=CC[C@@H](C(=O)N[C@H](C)CCCC(F)(F)F)c1ccccc1 427727784 SGDDMHSUQKCDKC-UKRRQHHQSA-N 313.363 4.584 30 20 DJED C=CCC(C)(C)C(=O)N[C@@H](C)c1cc2cccc(OCC)c2o1 429920546 IBLFDVQIRQFPND-ZDUSSCGKSA-N 315.413 4.611 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1oc2ccc(Cl)cc2c1C 432329127 ZSTYTIVRQJFAKZ-UHFFFAOYSA-N 324.767 4.827 30 20 DJED Cc1ccccc1COc1cccc(N[C@H]2CC[C@H](C#N)C2)c1 442854342 KTNZVVWJYJBNIE-LPHOPBHVSA-N 306.409 4.678 30 20 DJED CC[C@H](Nc1ccc(F)cc1OC(F)F)c1ccc(C#N)cc1 447590362 CBIICRJVESWBJS-AWEZNQCLSA-N 320.314 4.862 30 20 DJED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C[C@@H]1C[C@H]1c1ccccc1 463101162 CWUYSFBVLYNCGP-CMOCDZPBSA-N 316.448 4.562 30 20 DJED N#C[C@@H]1CCC[C@H](Nc2cccc(-c3ccc4c(c3)CCO4)c2)C1 463238242 PPXMRBZIPJVSHK-BEFAXECRSA-N 318.420 4.783 30 20 DJED C=CCC(CC=C)C(=O)N(C)Cc1c(CC)oc2ccccc12 467750500 ZPJKEZSJLZKKIU-UHFFFAOYSA-N 311.425 4.722 30 20 DJED N#Cc1csc(CN2CCC(c3cccc(Cl)c3)CC2)c1 475576135 VCRSWUMHJBZITO-UHFFFAOYSA-N 316.857 4.653 30 20 DJED C=CCCCC(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 479523315 DPVQCRJGMWIZCM-QGZVFWFLSA-N 319.857 4.963 30 20 DJED CC(C)(C#N)c1ccccc1CSCc1ccc(F)cc1C#N 486763002 PAXMQIXZBUSYBV-UHFFFAOYSA-N 324.424 4.932 30 20 DJED Cc1nc(SCc2cc(C#N)ccc2F)[nH]c1-c1ccccc1 488214515 JMTHNASPJWSXPY-UHFFFAOYSA-N 323.396 4.688 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1CCC[C@@H](C)C1 498445584 LINMPCWETRCCKF-APWZRJJASA-N 312.457 4.513 30 20 DJED COc1ccccc1-c1ccc(/C=C\c2ccncc2C#N)cc1 504713435 WCYISOQRKXPJNS-TWGQIWQCSA-N 312.372 4.799 30 20 DJED N#Cc1cnccc1/C=C\c1ccc(Br)c(Cl)c1 504719935 FXFXFZOXCKPICQ-IWQZZHSRSA-N 319.589 4.540 30 20 DJED CCC(CC)CN(CCC#N)Cc1ccc(SC)c(OC)c1 513723820 AXCQHFBIWGFPOH-UHFFFAOYSA-N 320.502 4.569 30 20 DJED C=CCCO[C@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H](C)CC 525077440 ZENXRLBZPCICBE-CKEIUWERSA-N 323.864 4.525 30 20 DJED CC(C)(C)C[C@@H](NC(=O)c1ccc(CC#N)cc1)c1ccccc1 535360180 VMLUCHBPADGXQR-LJQANCHMSA-N 320.436 4.660 30 20 DJED C=C[C@@H](CC(=O)N(C)Cc1cc2ccccc2o1)c1ccccc1 535374557 MWENMRFOCNCBFL-INIZCTEOSA-N 319.404 4.751 30 20 DJED C=C[C@@H](CC(=O)Nc1cccc(Cl)c1F)c1ccccc1 536252951 JTLVKHQLJGURAS-LBPRGKRZSA-N 303.764 4.778 30 20 DJED C=CCC[C@@H](NCC(=O)Nc1cc(C)ccc1C)c1ccccc1 539357067 ROADGWRDIZUZJS-LJQANCHMSA-N 322.452 4.539 30 20 DJED N#Cc1cc(F)ccc1CSCc1ccc2ncccc2c1 546726670 LCSIDOXDYGQLOC-UHFFFAOYSA-N 308.381 4.679 30 20 DJED C=CCC(C)(C)C(=O)N[C@H](C)c1cccc(Cl)c1Cl 551290215 BRGANJAFVYQTNV-SNVBAGLBSA-N 300.229 4.773 30 20 DJED CC(C)Cc1ccc([C@H](NCc2ccc(C#N)cn2)C(C)C)cc1 562371992 SRFQJDIVPRLKKW-OAQYLSRUSA-N 321.468 4.639 30 20 DJED N#CCC[C@@H](C#N)CNc1cccc(CCCc2ccccc2)c1 571636285 GEXZRZMLCHSRKB-FQEVSTJZSA-N 317.436 4.717 30 20 DJED C[C@@H](N[C@@H]1CCCc2c1[nH]c1ccccc21)c1cccc(C#N)c1 588954961 PXJJBMBIZUEZOG-JLTOFOAXSA-N 315.420 4.768 30 20 DJED Cc1c(C(=O)/C=C\c2ccc(C(C)C)cc2)c(C#N)c2n1CCC2 730086053 XTEFFWCYESOKFB-FLIBITNWSA-N 318.420 4.634 30 20 DJED C#Cc1cccc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)c1 732624154 FLQNZQIHLPPAID-LJQANCHMSA-N 322.477 4.660 30 20 DJED CC(=NNc1cccc(C(F)(F)F)n1)c1ccccc1Cl 739422375 YSWCKTHIZRZOEL-UHFFFAOYSA-N 313.710 4.590 30 20 DJED CC1(C)C(=NNc2nncc3ccccc23)C[C@@H]1c1ccccc1 768476608 RRCJUYKTGVOHRM-QGZVFWFLSA-N 316.408 4.611 30 20 DJED COc1ccsc1C(=O)/C=C\c1cc2cc(F)ccc2o1 769744446 LOGUUXFVMHNRLP-ARJAWSKDSA-N 302.326 4.538 30 20 DJED C=CCN(C(=O)N[C@H](C)c1ccc(Cl)cc1Cl)C(C)C 775194780 YSKGWVGEGVDGAU-LLVKDONJSA-N 315.244 4.660 30 20 DJED CC(=NNc1nc(-c2ccccc2)cs1)C1CCSCC1 777428524 DBKYVOXJJQBCOC-UHFFFAOYSA-N 317.483 4.741 30 20 DJED CCCCCCCCCNC(=O)[C@H]1CCC(=O)c2ccccc21 785804896 SFJKBDSQROITPP-SFHVURJKSA-N 315.457 4.614 30 20 DJED N#Cc1ccc2c(c1)CC/C(=C/C=C\c1ccc(F)c(F)c1)C2=O 794699327 FAEPOIXXPHBJPZ-PPUAEEJLSA-N 321.326 4.605 30 20 DJED C[C@@H]1CCC[C@@H](CC(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)C1 797569278 ACTIKDJYFNSVOL-MGPQQGTHSA-N 318.486 4.833 30 20 DJED O=C(/C=C\c1ccc2ncccc2c1)c1c(F)cccc1Cl 809159049 GVXLMMSTKXJNRR-CLFYSBASSA-N 311.743 4.923 30 20 DJED O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CC/C1=C\c1ccc(F)cc1 818238774 MLTQPUWHJAOBCT-AXOLISODSA-N 323.323 4.564 30 20 DJED CC[C@@H](CC1CCCC1)C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842940454 AEMQKJCPQSVRBN-DZGCQCFKSA-N 316.470 4.803 30 20 DJED C=C(Cl)CS[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F 853782774 MOVASNROWWYQJV-VIFPVBQESA-N 323.767 4.518 30 20 DJED Clc1ccccc1C=NNc1ccc(Br)cc1 912822141 UPIBLWJFGVRMHS-UHFFFAOYSA-N 309.594 4.549 30 20 DJED O=C(/C=C\c1ccc(-c2ccccc2Cl)o1)c1cccnc1 916137007 FYODIUQGBLBMOO-CLFYSBASSA-N 309.752 4.891 30 20 DJED O=C1/C(=C\c2cccc(OC3CCCC3)c2)Cc2ccccc21 917516834 BUGPMJJZNFEYSP-ATVHPVEESA-N 304.389 4.830 30 20 DJED C[C@H](CC(C)(C)C#N)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 925672904 KCRGZOAPXBRDSW-RISCZKNCSA-N 316.342 4.737 30 20 DJED CC(C)CC1(CNC(=O)c2ccc(Cl)c(C#N)c2)CCCC1 1127033254 DRBOEIJSCIZDGB-UHFFFAOYSA-N 318.848 4.548 30 20 DJED CCCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)C)C2 1129398912 XCQFLPQOACDTHX-GFCCVEGCSA-N 304.459 4.509 30 20 DJED CC(C)c1ccc(/C=C/CC(=O)Nc2ccc(C#N)c(F)c2)cc1 1129460389 ZFRLUAUFDCIQEU-ONEGZZNKSA-N 322.383 4.863 30 20 DJED CC[C@@H](c1ccccc1)N(C(=O)c1cc(C#N)ccc1C)C(C)C 1131575941 QIDDLFMDPAHGNB-FQEVSTJZSA-N 320.436 4.869 30 20 DJED CC[C@@H](C#N)C(=O)Nc1ccc(Sc2ccccc2)cc1C 1136374504 DBLKHFMBOQSSGX-AWEZNQCLSA-N 310.422 4.635 30 20 DJED CC(C)[C@H]1N(C(=O)[C@H](CC#N)c2ccccc2)CC12CCCCC2 1141953152 LBFZJMXXBNLLDA-RTBURBONSA-N 324.468 4.501 30 20 DJED Cc1ccc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1C 1167464682 OXIFHNYKHJNICF-RTWAWAEBSA-N 304.437 4.575 30 20 DJED Cc1cc(C#N)ccc1CN1C[C@H](C)C[C@H]1c1cccc(F)c1 1191244877 OHZLIFCLYCHNHJ-VLIAUNLRSA-N 308.400 4.589 30 20 DJED CCCC[C@@H](C)N(CCCC)C(=O)Nc1cccc(C#N)c1 1197549874 JKUGFGCQRBKVDS-OAHLLOKOSA-N 301.434 4.771 30 20 DJED CC(C)c1ccc([C@H]2CCCCN2Cc2cccc(C#N)n2)cc1 1204648916 XXQUQMSUEFDJBU-OAQYLSRUSA-N 319.452 4.804 30 20 DJED CC(C)CN(C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1)c1ccc(C#N)cc1 1264412723 MLPRUENWJZPFQL-XYJFISCASA-N 312.457 4.620 30 20 DJED CCC(CC)(CC)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 1264440291 XFABNLOHRRZVQC-UHFFFAOYSA-N 314.473 4.759 30 20 DJED Cc1cc(N[C@H](c2ccccc2)c2ccc(F)cc2)ncc1C#N 1306929581 AIAOJQQHTLASKH-HXUWFJFHSA-N 317.367 4.602 30 20 DJED COc1ccc(Cl)c(CSc2nc(C)cc(C)c2C#N)c1 1307248507 QUUQBAKKOJJGMH-UHFFFAOYSA-N 318.829 4.524 30 20 DJED N#Cc1c(F)cccc1CNC[C@H]1CCCC[C@@H]1c1ccccc1 1308765078 FIDBXMDJNSAQBY-IEBWSBKVSA-N 322.427 4.761 30 20 DJED C=CCCO[C@H](C)c1nc(Cc2ccc(C(C)(C)C)cc2)no1 1320308399 SYLNGKQISRBCOX-CQSZACIVSA-N 314.429 4.612 30 20 DJED C/C(=C\c1nnc(-c2ccc(C#N)cc2)o1)c1cccc(Cl)c1 1322503833 ONMKTCXBSGFUFO-FMIVXFBMSA-N 321.767 4.822 30 20 DJED O=C(O)c1ccc(-c2ccc(/C=C/C(=O)c3cccs3)o2)cc1 1326776665 NIPSNFIIGMXPRV-VQHVLOKHSA-N 324.357 4.602 30 20 DJED C[C@@H](OC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(C#N)c1 1457758864 DQCWAXFIDRBZIC-SNVBAGLBSA-N 320.175 4.783 30 20 DJED CC(C)[C@H](CC(=O)O[C@@H](C)c1cccc(C#N)c1)c1ccccc1 1457760918 RFPYNYYWGZHCDF-JXFKEZNVSA-N 321.420 4.992 30 20 DJED Cc1cccc(Cl)c1COC(=O)c1ccc(C#N)c(Cl)c1 1460291132 SCJQZMHCEXPGGO-UHFFFAOYSA-N 320.175 4.531 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCC[C@H]1/C=C/c1ccccc1 1460870414 GWJDVWVNLMPECL-ZBWUASRJSA-N 322.839 4.889 30 20 DJED CC(C)(CC#N)CN[C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 1462330440 YXWVYBXJNURMGT-GDBMZVCRSA-N 324.390 4.871 30 20 DJED CC1=C(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)CCC1 1527165281 SHGUJAACZQJEPQ-PWSUYJOCSA-N 314.454 4.744 30 20 DJED Cc1ccc(C#N)cc1C(=O)N[C@@H](C)c1csc2ccccc12 1586095350 ZWRDEXUSXTZFIS-ZDUSSCGKSA-N 320.417 4.572 30 20 DJED CCCCc1nc(COc2cc(Cl)ccc2C#N)cs1 1641003517 PZJHCPXDBPZAOI-UHFFFAOYSA-N 306.818 4.590 30 20 DJED CCN(Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCCC[C@@H]1C 1642722239 OBPQPQKKBHEGFF-WMLDXEAASA-N 320.864 4.643 30 20 DJED Cc1nc(SCC2(C#N)CCCC2)c2c(C)c(C)sc2n1 1656011217 VALRHGGTNJBBSM-UHFFFAOYSA-N 317.483 4.793 30 20 DJED C[C@H](Cc1ccc(Cl)cc1)N[C@H]1CCCc2cc(C#N)ccc21 1658370953 LUTYXRZOOCDVSQ-VLIAUNLRSA-N 324.855 4.810 30 20 DJED COc1ccc(C#N)cc1N[C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1 1658799641 HTDVHXQEBSFNFR-AYOQOUSVSA-N 320.436 4.951 30 20 DJED C[C@@H](CCc1ccccc1)CN[C@H](CCC#N)c1ccccc1 1661985783 FJBPXFQTEYYNGC-GHTZIAJQSA-N 306.453 4.890 30 20 DJED CCC(CC)(CC)CNC(=O)N[C@@H](CCC#N)c1ccccc1 1678914429 KVXZQQHHCRLARP-KRWDZBQOSA-N 315.461 4.547 30 20 DJED CCN(C(=O)Nc1cc(C)cc(C)c1)[C@@H](C)c1ccc(C#N)cc1 118790751 JOGLPYQSTOIOMP-INIZCTEOSA-N 321.424 4.790 30 20 DJED C#CCCCCC(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C 120000325 XKJRERUYHRKHHY-KRWDZBQOSA-N 312.457 4.506 30 20 DJED O=C(/C=C/c1cccc(/C=C/C(=O)c2ccco2)c1)c1ccco1 130862920 QNPLJKHUSPNCGV-GFULKKFKSA-N 318.328 4.665 30 20 DJED Cc1ccccc1[C@H]1CCCN1C(=O)Nc1cccc(C#N)c1C 178565038 BXBXMZRCPBWLMH-LJQANCHMSA-N 319.408 4.544 30 20 DJED C[C@@H](NC[C@H](C#N)CCC#N)c1ccc(Cl)c2ccccc12 184923946 LNHFRGWQYSBNNE-KGLIPLIRSA-N 311.816 4.587 30 20 DJED CCN(C(=O)c1ccccc1SC)[C@H](C)c1ccc(C#N)cc1 192465488 KWPIXEMMYNJEHR-CQSZACIVSA-N 324.449 4.503 30 20 DJED CCCCOc1ccc(/C=C\C(=O)c2ccc(C#N)cc2)cc1 208015874 NVMDZTIESROREZ-JYRVWZFOSA-N 305.377 4.633 30 20 DJED O=C(/C=C/c1ccc(OCC(F)F)cc1)c1cccc(Cl)c1 303948730 VDVUMXSNEYXMLW-RMKNXTFCSA-N 322.738 4.880 30 20 DJED CC[C@H](/N=C(/O)N(C)[C@@H](C)C1CCCCC1)c1c(C)noc1C 330392333 IYIPGJIBEWHGJX-BBRMVZONSA-N 321.465 4.557 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)c1c(C2CC2)noc1C 410754735 PDUIENLGCCQBPR-UHFFFAOYSA-N 324.424 4.965 30 20 DJED C[C@@H](SCc1ncccc1C(F)(F)F)c1ccc(C#N)cc1 432255264 YWWBCWDTTWDMIT-LLVKDONJSA-N 322.355 4.966 30 20 DJED Cc1sc(NC(=O)[C@@H](c2ccccc2)C(C)C)c(C#N)c1C 443820044 BPUMFQMWDXTZAI-MRXNPFEDSA-N 312.438 4.615 30 20 DJED CC1(C#N)CCC(N[C@@H]2CC[C@H](c3ccccc3F)C2)CC1 449298411 HPNXBDTXORDUBN-UYFTZEKXSA-N 300.421 4.524 30 20 DJED Cc1ccc([C@@H]2OCCC[C@@H]2CNc2ccc(C#N)cc2F)cc1 463065374 WHFVHLBBURGJOY-XLIONFOSSA-N 324.399 4.586 30 20 DJED N#C[C@H]1CCC[C@@H](Nc2cc(F)ccc2SCC(F)F)C1 463285757 HBEWZPGKDLHXFW-CMPLNLGQSA-N 314.376 4.677 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)C1=CCCCCC1 476430038 PZIWTYBOEGFMGK-UHFFFAOYSA-N 309.862 4.807 30 20 DJED N#CCc1ccc(COc2cc(Cl)cc3cccnc23)cc1 486107272 FLCASOYNELJBCK-UHFFFAOYSA-N 308.768 4.533 30 20 DJED CC(C)Sc1ccc([C@H](C)NC(=O)c2cccc(C#N)c2)cc1 504751476 UTLWTZVPCUOYTC-AWEZNQCLSA-N 324.449 4.550 30 20 DJED Cc1ncsc1CCSCc1ccccc1C(C)(C)C#N 507136263 XKALPGOBPCQEGH-UHFFFAOYSA-N 316.495 4.729 30 20 DJED C=C(C)CCc1noc([C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)n1 508597161 WFNFPQHALRXLTB-KGLIPLIRSA-N 322.330 4.868 30 20 DJED C[C@H](SCCc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 538667914 FFEHOKMPLFOVGV-ZDUSSCGKSA-N 312.394 4.503 30 20 DJED C=CCC[C@H](CCC)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 543594778 JJHAPJPYWYJQRE-IPMKNSEASA-N 305.437 4.770 30 20 DJED Cc1nnc(N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1 543895533 AWRHRNBTNSBWRH-LBPRGKRZSA-N 320.421 4.558 30 20 DJED Cc1ccc2ncnc(Oc3ccc(C#N)c4ccccc34)c2c1 555269055 MPRWVYKMKCUCFP-UHFFFAOYSA-N 311.344 4.755 30 20 DJED N#CCC1(CSc2nc(-c3ccco3)nc3ccccc23)CC1 594883878 RIPACYAMTSMHGO-UHFFFAOYSA-N 321.405 4.676 30 20 DJED CCC[C@H](CC1CCCCC1)C(=O)N1CCC[C@H](CC#N)C1 597911614 AFYHPCSUWKLPGS-QZTJIDSGSA-N 304.478 4.525 30 20 DJED C[C@@H](c1ccccc1)c1ccc(Oc2ccc(C#N)cn2)cc1 609143946 RJTVRAKHEMFHSR-HNNXBMFYSA-N 300.361 4.897 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCCCOC(C)(C)C 610681146 HVXZBHJAFZZSBV-CQSZACIVSA-N 306.475 4.698 30 20 DJED C[C@H]1C[C@@H](N[C@H](C)c2cccc(C#N)c2)c2ccsc2S1 610829942 SVNJLWYMEJWVGZ-HWWQOWPSSA-N 314.479 4.896 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCCc2ccc(Cl)cc21 618805284 NKPJFCLPZSVRLA-VQTJNVASSA-N 322.839 4.866 30 20 DJED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1ccccc1OC 675154382 GVKVCQIJNQQMPC-SFHVURJKSA-N 313.441 4.517 30 20 DJED O=C1/C(=C/c2ccc(OCC(F)F)cc2)CCc2ccccc21 741840534 YGISBGWRNYWCCS-RVDMUPIBSA-N 314.331 4.543 30 20 DJED Cc1cc(F)ccc1/C=C\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 750899129 FPJXWVRJSZMRMK-DAXSKMNVSA-N 319.719 4.592 30 20 DJED C[C@@H]1CC/C(=C\C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)C1 753801451 JOKLEKNLUWIPOM-VBEUMERESA-N 322.433 4.733 30 20 DJED CC(=NNc1cc(C)ccn1)c1cc(F)c(Cl)cc1Cl 755907100 SOAMKRDGKXIUPG-UHFFFAOYSA-N 312.175 4.672 30 20 DJED C#CC[C@@H](N[C@H](C)c1cc2c(cc1O)CCCC2)c1ccccc1 756776882 ULWFBYJONUHGSS-IIBYNOLFSA-N 319.448 4.686 30 20 DJED N#Cc1c(F)ccc(/C=C\C(=O)c2ccc(F)cc2F)c1Cl 761475456 DJISVIFGYXLYKY-KXFIGUGUSA-N 321.685 4.525 30 20 DJED CCC(=NNc1c(Cl)cc(F)cc1Cl)C1CCOCC1 767911751 XENIHSSOYTXDSL-UHFFFAOYSA-N 319.207 4.737 30 20 DJED CC(C)(C#N)CCCCOC(=O)C1(c2cccc(F)c2)CCC1 768459382 KOEPYCMHOGFYIB-UHFFFAOYSA-N 317.404 4.511 30 20 DJED Cc1ccc2c(c1)C/C(=C\c1cccc(-c3cccnc3)c1)C2=O 768489382 CTMYFWXOQJMHCY-UDWIEESQSA-N 311.384 4.879 30 20 DJED CSc1cccc(N=Cc2cc3ccccc3nc2O)c1C 774541934 MNMMNXSYWWSUMU-UHFFFAOYSA-N 308.406 4.721 30 20 DJED CCCCCS[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 774660176 XKBKHVXNFAFIEN-MRXNPFEDSA-N 318.486 4.554 30 20 DJED O=C(/C=C/c1nc2c(s1)CCCC2)c1csc(Cl)c1 787185515 BZBQJTOELCRPIS-AATRIKPKSA-N 309.843 4.633 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N(C)c1nnc(C)s1 794027862 XENNLVADTCXOJK-ZDUSSCGKSA-N 311.495 4.586 30 20 DJED C[C@@H]1CCCC[C@@H]1CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797570560 HQNNWAPWYSHUNB-MCIONIFRSA-N 318.486 4.833 30 20 DJED CSc1ccc(CSc2nc(Cl)c(C#N)s2)cc1 804681610 WICDHFWAUAKNCU-UHFFFAOYSA-N 312.872 4.682 30 20 DJED COc1cccc(O)c1/C=N\[C@@H](C)c1cccc(C(F)(F)F)c1 812394721 XADVHHMBBINLDV-GVHCZZSVSA-N 323.314 4.600 30 20 DJED CC(=NNc1ccccc1F)c1cc(C)ccc1OC(F)F 812460511 QRLFJUWNSGWXFA-UHFFFAOYSA-N 308.303 4.572 30 20 DJED N#Cc1cccc(/C=C\C(=O)c2cc(Cl)sc2Cl)c1 834779629 PATRROGNIRXBOB-PLNGDYQASA-N 308.189 4.823 30 20 DJED CCCOc1cccc(/C=C/C(=O)c2ccc(OC)c(F)c2)c1 917143812 QDRWIALUIPQSNP-VQHVLOKHSA-N 314.356 4.519 30 20 DJED CCOc1cccc(C=Nc2cccc(O[C@H](C)CC)c2)c1O 920178813 XCTONCHYLZLEEG-CQSZACIVSA-N 313.397 4.719 30 20 DJED CCC[C@@H](C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C(C)C 1124214445 TXIAQUJTAKAJEU-QWHCGFSZSA-N 318.486 4.755 30 20 DJED C=C(Br)CN1Cc2ccccc2-c2ccccc21 1171632409 ZQBPVKWMXOWJGL-UHFFFAOYSA-N 300.199 4.582 30 20 DJED CC[C@@H](C#N)N(CC)C(=O)[C@@H]1CC12CCC(C(C)(C)CC)CC2 1289300051 YZSGIZJYMJRZAD-ASPXRTSYSA-N 318.505 4.770 30 20 DJED COc1cc(CSc2ccc(Cl)cc2C#N)ccc1C 1307310680 UITLJTTXWIUGRX-UHFFFAOYSA-N 303.814 4.821 30 20 DJED CC[C@@H]1CCCN1CCC(C#N)(c1ccccc1)c1ccccc1 1307470113 CCMQDORKWMNYRY-OAQYLSRUSA-N 318.464 4.761 30 20 DJED C[C@@]1(CCc2ccccc2)CCN(Cc2ccc(CC#N)cc2)C1 1307518755 WOLZUINTPQWDSB-JOCHJYFZSA-N 318.464 4.597 30 20 DJED C[C@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C#N)CCCCC2 1349781356 DUKOGWUTIUDDRH-QWHCGFSZSA-N 316.470 4.653 30 20 DJED CC(C)(C)[C@H]1CN(c2c(C#N)cccc2C#N)c2ccccc21 1472771013 LGRXNQSKXOMRQA-KRWDZBQOSA-N 301.393 4.711 30 20 DJED CCC[C@H]1CCC[C@H]1C(=O)N(CC)c1ccc(C#N)c(Cl)c1 1544757343 LXFDQZVXVYTYIE-XJKSGUPXSA-N 318.848 4.781 30 20 DJED N#CCOc1cc(F)ccc1NC1CCC(c2ccccc2)CC1 1560743541 VJDIDTXJGSFJNZ-UHFFFAOYSA-N 324.399 4.866 30 20 DJED Cc1cccc([C@H](C)C(=O)N(c2ccccc2C#N)C2CCC2)c1 1587311154 WLJHCLFMAAXZAD-INIZCTEOSA-N 318.420 4.556 30 20 DJED C=C(CNCc1sc(C)cc1Br)c1ccccc1 1620773119 NDBFRSOKIJWTAR-UHFFFAOYSA-N 322.271 4.622 30 20 DJED CC1(c2cccc(Cl)c2)CCN([C@H](C#N)c2ccccc2)CC1 1642876021 WAUBKRJOFQFBRC-LJQANCHMSA-N 324.855 4.958 30 20 DJED CCN(CCc1ccc(C(F)(F)F)cc1)CCC(C)(C)C#N 1643522779 DZNDVYIWIGTPMP-UHFFFAOYSA-N 312.379 4.510 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1Oc1ccc(F)cc1F 1654885695 HTMYZCRTEWJHGU-UHFFFAOYSA-N 316.694 4.830 30 20 DJED CC1(c2ccccc2)CC(N[C@@H]2CCCc3cc(C#N)ccc32)C1 1658370768 FTZBMAAXHRMQQK-NJEKYYFSSA-N 316.448 4.646 30 20 DJED Cc1cc(C)c(/C=C/CN(CCC#N)Cc2ccco2)cc1C 1658657408 AQKXOWJIDFJGBM-QPJJXVBHSA-N 308.425 4.634 30 20 DJED C[C@@H]1C[C@@H](CCN[C@H](C)CC2(C#N)CCOCC2)CC(C)(C)C1 1659045009 VYXAUSQUMKTBHA-KZNAEPCWSA-N 320.521 4.527 30 20 DJED CCC1(CC)CCC(NC(=O)Nc2ccc(F)cc2C#N)CC1 1669604787 KVRMNUNPLAFDKO-UHFFFAOYSA-N 317.408 4.568 30 20 DJED O=C(O)c1ccc(NN=Cc2ccc(C3CC3)c(C3CC3)c2)cc1 1776013527 DFJTVNNPWOTNKK-UHFFFAOYSA-N 320.392 4.586 30 20 DJED CC(=NNc1ccc(Cl)c(C(=O)O)c1)[C@@H]1CCCC[C@H]1C 1776033808 KBQXFNGQPGYFRI-ZWNOBZJWSA-N 308.809 4.652 30 20 DJED CCc1cccc(C)c1Nc1nnc(SCCCC#N)s1 16328110 RDTTVOFZBVDIRS-UHFFFAOYSA-N 318.471 4.548 30 20 DJED Cc1nc(-c2ccc(OCc3ccccc3C#N)cc2)cs1 78551087 PSWSTRVQZIMVRG-UHFFFAOYSA-N 306.390 4.569 30 20 DJED CCCOCc1ccccc1CNc1ccc(C#N)c(Cl)c1 78611328 VIOXURHYHUZSOW-UHFFFAOYSA-N 314.816 4.750 30 20 DJED CC1CCC(=CC(=O)Nc2ccccc2SCCC#N)CC1 114638498 DMUJVQODIYMZNM-UHFFFAOYSA-N 314.454 4.767 30 20 DJED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)C1CC1 178452657 ZNSYMXOPXJDLCR-CQSZACIVSA-N 320.392 4.644 30 20 DJED C[C@H](C#N)Oc1ccccc1NCc1ccccc1C(F)(F)F 182589826 WRXFFWKJTFWAKK-GFCCVEGCSA-N 320.314 4.608 30 20 DJED C[C@@H]1CCC[C@@H](CNc2ccc(C#N)c(Br)c2)C1 235333229 WBLQCAUSIZIBHC-VXGBXAGGSA-N 307.235 4.559 30 20 DJED N#C[C@H]1CC[C@H](N2CCC(Sc3ccc(Cl)cc3)CC2)C1 292721053 APXOAECJSUAKSQ-ZFWWWQNUSA-N 320.889 4.589 30 20 DJED CC[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)C1CCCCC1 315398568 GYLUZSKJCPOMSC-KXBFYZLASA-N 300.446 4.598 30 20 DJED CC1(C)CCC[C@H](C(O)=Nc2nc(C3CCOCC3)cs2)C1 329219142 SGCVLHPAKOTXIM-ZDUSSCGKSA-N 322.474 4.842 30 20 DJED C[C@@H]1CCC[C@H](/N=C(/O)C2CCC(/N=C(/O)C3CC3)CC2)[C@@H]1C 329995729 NQOPYHDUPMYOOY-WYEXVOONSA-N 320.477 4.693 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@]1(C)CC=CCC1 410460639 WWQJTRNLBHDCLW-KBXCAEBGSA-N 314.454 4.623 30 20 DJED N#CCC1(CN[C@H]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 430736065 BXLDVDMTHMKOBA-BBRMVZONSA-N 323.267 4.913 30 20 DJED CC1(C#N)CCC(N[C@H]2CCCOc3cc(Cl)ccc32)CC1 453172959 HKYBAARRCCVNIH-HQVVEAJESA-N 318.848 4.616 30 20 DJED CCOc1ccc(C#N)cc1NCc1ccc(C(F)F)cc1 460767410 ITLWSJHVUUZTFB-UHFFFAOYSA-N 302.324 4.507 30 20 DJED C=CCC(CC=C)C(=O)Nc1nn([C@@H](C)c2ccccc2)cc1C 472837408 JWTCCTRULKRRJX-INIZCTEOSA-N 323.440 4.508 30 20 DJED C=C(C)[C@@H](NC(=O)N(CC(C)C)C(C)C)c1ccc(F)c(F)c1 483303286 LRSDJIHXWUTVRR-QGZVFWFLSA-N 324.415 4.658 30 20 DJED Cc1cccc([C@H]2CCCCCN2C(=O)c2ccc(C#N)s2)c1 487043224 HTWMMKACMOAFBL-QGZVFWFLSA-N 324.449 4.686 30 20 DJED C[C@@H](F)CCN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 509007278 OUOFYKACTJAUBC-LDYMZIIASA-N 317.248 4.647 30 20 DJED CC(C)(C)[C@H](NCc1ccc(F)cc1C#N)c1cccc(F)c1 538228132 OQPFXTMIRLUTMV-GOSISDBHSA-N 314.379 4.713 30 20 DJED CC(C)[C@@H](NCc1ccc(CC#N)cc1)c1ccc(Cl)cc1 543139279 PVOIDAYZLKMYCL-LJQANCHMSA-N 312.844 4.893 30 20 DJED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CCC(CCC#N)CC1 566274979 NTQZLGMJHSOPCH-SJLPKXTDSA-N 324.468 4.518 30 20 DJED CC[C@@H](C)Sc1ccc(NC(=O)C2(C#N)CCC2)c(C)c1 571362384 PEROMPIEXXMSFZ-CYBMUJFWSA-N 302.443 4.518 30 20 DJED CCc1ccc2occ(C(=O)Nc3sc(CC)cc3C#N)c2c1 573909108 BKRNGWWMDVFPCT-UHFFFAOYSA-N 324.405 4.743 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc2sccc2c1 589344791 HEEFPRQCACOZOD-LJQANCHMSA-N 318.445 4.940 30 20 DJED CC(C)O[C@H](CN[C@@H](CCC#N)c1ccccc1)c1ccccc1 589990823 FLWXKJCEZNFVSU-LEWJYISDSA-N 322.452 4.787 30 20 DJED C=CCCNc1cc(C(=O)Nc2ccccc2)ccc1Cl 607149936 ACPIPHWRLQEPOY-UHFFFAOYSA-N 300.789 4.580 30 20 DJED CC(C)[C@@H](Sc1ccc(C#N)cc1F)C(=O)c1ccccc1 607760967 QCDOKVCYSPVWFH-GOSISDBHSA-N 313.397 4.697 30 20 DJED N#CCN(C(=O)c1ccc(C2CCCCC2)cc1)C1CCCC1 609978108 CEWVQJXBBUSDSV-UHFFFAOYSA-N 310.441 4.643 30 20 DJED C=C(CNCc1ccc(OC)c2ccccc12)c1ccccc1 620756443 AIBXHLZSAUBBFH-UHFFFAOYSA-N 303.405 4.651 30 20 DJED CCCCCCCC(=O)N[C@H](c1ccccc1)C1CCOCC1 734351829 DSNHKKUNGRZKIN-HXUWFJFHSA-N 317.473 4.631 30 20 DJED C=C(C)CNC(=S)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1 743017768 KYFYRQNBOBYUOD-MRXNPFEDSA-N 324.493 4.797 30 20 DJED COc1cc(C(=O)/C=C/c2cc(F)cc(F)c2)ccc1SC 755589776 AQZHGMKKYRTMBO-HWKANZROSA-N 320.360 4.591 30 20 DJED CCSc1ccc(C(=O)/C=C/c2cccc(OCC#N)c2)cc1 755607336 YCHZLTMOWOUHRV-IZZDOVSWSA-N 323.417 4.597 30 20 DJED C#CC[C@@H](NCc1csc(Cl)c1Cl)c1ccccc1 762455854 WTNCXRTVKQEYEW-CYBMUJFWSA-N 310.249 4.909 30 20 DJED COc1ccc2oc(/C=C/C(=O)c3cc(F)cc(F)c3)cc2c1 763292328 MSEYXVDHVJHVEB-DUXPYHPUSA-N 314.287 4.616 30 20 DJED CCCCCCCC(=O)N1CC[C@@H](c2c(F)cccc2F)C1 769405133 BUYLWPLZKNXOHB-CQSZACIVSA-N 309.400 4.641 30 20 DJED C#CC[C@@H](N[C@H](CCC)c1cccc([N+](=O)[O-])c1)c1ccccc1 773105619 IFBQRJSIKWIAKN-WOJBJXKFSA-N 322.408 4.790 30 20 DJED Cc1cc2cc(CNc3ccc(F)cc3OCC#N)oc2cc1C 779609671 QQTFPSQQUMWZIU-UHFFFAOYSA-N 324.355 4.703 30 20 DJED Fc1cc(Cl)ccc1C=NNc1ccc(OC(F)F)cc1 783513430 RCGYZMVXCLSKRR-UHFFFAOYSA-N 314.694 4.527 30 20 DJED C#CCC1(C(=O)N[C@H](C)c2cc3ccccc3o2)CCCCC1 788245637 RIDBGIRDCHHDTQ-OAHLLOKOSA-N 309.409 4.584 30 20 DJED COc1ncc(C(=O)/C=C\c2ccc(C(F)F)cc2)cc1Cl 789157663 PFALOWXPNBWRGT-DAXSKMNVSA-N 323.726 4.577 30 20 DJED COc1ccc(C(=O)/C=C/c2ccc(C(F)F)cc2)c(F)c1 794931895 RJURMTMFLUDDPX-RUDMXATFSA-N 306.283 4.668 30 20 DJED Cc1cc2cc(C(=O)/C=C\c3ccnn3C(C)C)oc2cc1C 794941253 MJAPIAKMVAQCGA-WAYWQWQTSA-N 308.381 4.723 30 20 DJED Cc1ccc(-c2csc([C@H](C#N)C(=O)C(C)(C)C3CC3)n2)cc1 805856310 XLBJGMWXNCZPIQ-OAHLLOKOSA-N 324.449 4.731 30 20 DJED N#C[C@@H](C(=O)CCCC1CC1)c1nc(-c2ccccc2)cs1 813060845 LXSVCRWWRZJCLJ-HNNXBMFYSA-N 310.422 4.567 30 20 DJED Clc1ccccc1CC(=NOC1CCCC1)c1ccoc1 814894807 RMWQMPMFSWDIQD-UHFFFAOYSA-N 303.789 4.839 30 20 DJED CC(CSC(C)(C)C)=NNc1nnc(-c2ccccc2)s1 814948714 BERZOXFNUVRIHS-UHFFFAOYSA-N 320.487 4.525 30 20 DJED CC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 835144222 CICPTHKDXXCQOF-DGCLKSJQSA-N 318.417 4.684 30 20 DJED COc1cccc(O)c1C=Nc1ccc2oc(C(C)(C)C)nc2c1 914702353 BJQPIVIEZXUHLJ-UHFFFAOYSA-N 324.380 4.590 30 20 DJED CCCCc1oc2ccccc2c1/C=C/C(=O)c1cn(C)nc1C 917520659 WGEVJLXPNFHSHG-VAWYXSNFSA-N 322.408 4.713 30 20 DJED C=CCN(C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1)C(C)C 918068869 FHISCCXAFFGTPL-QGZVFWFLSA-N 320.452 4.909 30 20 DJED CCCCCCCCC(=O)Nc1ccc(N(C)C(=O)OC)cc1 919893911 PFGGHQOUMJDLRJ-UHFFFAOYSA-N 320.433 4.578 30 20 DJED CC[C@@](C)(NCCCCC1(C#N)CCC1)c1nc(C)cs1 930010051 QUKNTHKFMHVFKS-MRXNPFEDSA-N 305.491 4.531 30 20 DJED CCCC[C@@H](CCC)CNC(=O)c1ccc(C#N)c(Cl)c1 1127050913 ZHRVCHBLCVTPRK-CYBMUJFWSA-N 306.837 4.548 30 20 DJED CC(C)c1ccc(/C=C\CC(=O)Nc2ccc(C#N)c(F)c2)cc1 1129460375 ZFRLUAUFDCIQEU-ARJAWSKDSA-N 322.383 4.863 30 20 DJED N#Cc1ccccc1N(C(=O)C1C[C@H]2CCC[C@H](C1)C2)C1CCC1 1131150393 XGRDUJYUWARZNF-HOTGVXAUSA-N 322.452 4.660 30 20 DJED CCC1(CC)CN(c2ccc(Cl)c(C#N)n2)c2ccccc21 1162873780 POYVRYABNWVXQS-UHFFFAOYSA-N 311.816 4.816 30 20 DJED N#C[C@@H](SCc1cccc(OC(F)F)c1)C1CCCCC1 1165736055 SWDAKRDTXKXEBN-OAHLLOKOSA-N 311.397 4.994 30 20 DJED Cc1ccc2c(c1C)N(Cc1ccc(C#N)cc1Cl)CCC2 1171218365 ZJOZXDLWIDDBPK-UHFFFAOYSA-N 310.828 4.781 30 20 DJED CC(C)O[C@@H](CN(C)[C@H](C)c1cccc(C#N)c1)c1ccccc1 1171399194 AKTUMQRHUPEWHW-UTKZUKDTSA-N 322.452 4.717 30 20 DJED CC(C)[C@H]1CCc2ccccc2[C@@H]1NCc1ccc(C#N)cc1 1178440227 JWELFCMEQVNULM-TZIWHRDSSA-N 304.437 4.608 30 20 DJED COc1cc(CN(Cc2ccccc2)CC(C)(C)C)ccc1C#N 1179997645 RIXFLNUYGXRDPD-UHFFFAOYSA-N 322.452 4.615 30 20 DJED N#Cc1c(Cl)nsc1Sc1ccc2c(c1)CCCC2 1307146711 RJSWTWJOMBYQEO-UHFFFAOYSA-N 306.843 4.698 30 20 DJED CCCCN(CCCC(C)(C)C#N)C1CC(C)(C)NC(C)(C)C1 1307967504 OEPWCVCECGEFBC-UHFFFAOYSA-N 321.553 4.728 30 20 DJED CC[C@@H](Cc1ccccc1C)c1nnc(-c2cccc(C#N)c2)o1 1346662251 LHDMZXAHWOVGFC-INIZCTEOSA-N 317.392 4.653 30 20 DJED N#C[C@H](C(=O)c1ccc(C2CCCCC2)cc1)c1cccc(F)n1 1347121043 AGMZFWIRDCBWAA-KRWDZBQOSA-N 322.383 4.758 30 20 DJED CC(C)CCC(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@@H]2C 1436482529 KNKOBKJKRSVPAK-NEPJUHHUSA-N 304.459 4.680 30 20 DJED C[C@H](NCc1ccc(Cl)cc1C#N)c1cccc(C2CC2)c1 1460157494 MAMVKJGPEDCSBR-ZDUSSCGKSA-N 310.828 4.940 30 20 DJED CC(C)(C)CN(CCC#N)C(=O)C1CC(C)(C)CC(C)(C)C1 1530317124 YNBCIIVETBTCDY-UHFFFAOYSA-N 306.494 4.627 30 20 DJED CC(C)Cc1ccc([C@H](C)C(=O)N(C)c2ccccc2C#N)cc1 1535272862 KVXUKAOVPHWOLR-INIZCTEOSA-N 320.436 4.523 30 20 DJED CCCc1ccc(C(=O)N(c2cccc(C#N)c2)C2CCC2)cc1 1538990459 UZOXSYZWUGFFCC-UHFFFAOYSA-N 318.420 4.710 30 20 DJED N#CC1(CSc2nc3c(n2-c2ccccc2)CCCC3)CCC1 1613338180 QKTUJSIIPOUJNG-UHFFFAOYSA-N 323.465 4.537 30 20 DJED CC(C)(CC#N)CSc1ncc(-c2ccc(Cl)cc2)[nH]1 1615035166 SXOOXJZDWVTYAO-UHFFFAOYSA-N 305.834 4.762 30 20 DJED N#Cc1ccc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1Br 1639474621 PDCCRRFUHGMVJO-OUCADQQQSA-N 319.246 4.701 30 20 DJED Cc1cc(N2CCCC[C@@H]2C)ccc1Nc1nccc(C)c1C#N 1642441415 JMHBKBMMWYGPLY-INIZCTEOSA-N 320.440 4.693 30 20 DJED N#Cc1c(F)cccc1N1C[C@@H](c2ccccc2)c2ccccc21 1642645642 NZBLYBVNGLWLHX-SFHVURJKSA-N 314.363 4.981 30 20 DJED CC(C)(C)C[C@@H]1C[C@H]1Nc1c(C#N)cnc2c(Cl)cccc12 1642898578 LSWUQJWGDJGJGB-XHDPSFHLSA-N 313.832 4.996 30 20 DJED CCCN(c1nccc(C)c1C#N)[C@H](C)c1cc2ccccc2o1 1651424919 WHDFLZBOPYFJKZ-OAHLLOKOSA-N 319.408 4.986 30 20 DJED Cc1cccc(-n2ccnc2S[C@H](C#N)C2CCCCC2)c1 1651666184 MLXIYQBJYZYHEM-QGZVFWFLSA-N 311.454 4.745 30 20 DJED CC(C)[C@H](Nc1cccc(C#N)n1)c1ccc(Cl)cc1F 1655362351 GCKLUEPGHXRMJQ-INIZCTEOSA-N 303.768 4.555 30 20 DJED C=CC[C@]1(C(=O)O)CCCN([C@H](CC)c2ccc(Cl)cc2)C1 1776154449 BBOVFNDVAZJJQU-AEFFLSMTSA-N 321.848 4.534 30 20 DJED Cc1cccc(C(C)C)c1NC(=O)N(C)Cc1cccc(C#N)c1 43281790 XSWWQOXTHHCGLW-UHFFFAOYSA-N 321.424 4.654 30 20 DJED CCCN(CC#N)Cc1csc(-c2ccc(C(C)C)cc2)n1 58910809 AITDJLFOMKHZSQ-UHFFFAOYSA-N 313.470 4.669 30 20 DJED CC(C)CCN(CCC(C)C)C(=O)Nc1ccc(CC#N)cc1 71901796 FYPZOTJJLSJJPY-UHFFFAOYSA-N 315.461 4.679 30 20 DJED CCOc1ccc(NCc2cccc(OCCCC#N)c2)c(C)c1 80191354 NPNSGYZFDFVUFK-UHFFFAOYSA-N 324.424 4.688 30 20 DJED CCC(=CC(=O)Nc1ccccc1SC[C@H](C)C#N)CC 129214369 OKVGBRXBSZTKOS-CYBMUJFWSA-N 302.443 4.623 30 20 DJED N#CCC[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccccc1 163566819 RXMHPZOXNDVLJC-MRXNPFEDSA-N 313.788 4.507 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1cccc(CSC(C)C)c1C 173884387 ONMIHOLQPJTQJA-CYBMUJFWSA-N 306.475 4.723 30 20 DJED CC(C)C[C@@H](NCc1ccc(O[C@H](C)C#N)cc1)c1ccccc1 236622570 FXJBVAONOBYJET-DYESRHJHSA-N 322.452 4.854 30 20 DJED C[C@H]1C[C@@H](C(O)=Nc2nc3c(Cl)cccc3s2)CCC1=O 330138198 OFZJHQOGWZMXHB-IUCAKERBSA-N 322.817 4.543 30 20 DJED N#CCCC[C@@H](NC(=O)[C@H]1CC12CCCCC2)c1ccccc1 352192072 IVRYKLOXLIZXFH-QZTJIDSGSA-N 310.441 4.508 30 20 DJED N#CC1(CC[S@@](=O)[C@H]2CCCc3ccccc32)CCCCC1 414237471 BDUWCMWCUAEPPG-PGRDOPGGSA-N 315.482 4.677 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccccc1C(C)(C)C#N 425543981 ZZDNYIYGQRVBEK-MRXNPFEDSA-N 317.436 4.552 30 20 DJED Cc1ccccc1Oc1ccccc1CN[C@H]1CC[C@H](C#N)C1 442780346 MXBAHFDNTYFFBE-WMZOPIPTSA-N 306.409 4.569 30 20 DJED CCCOc1ccc(C(F)(F)F)cc1N[C@@H]1CC[C@H](C#N)C1 442875816 ULECNXNBZIFUHU-WCQYABFASA-N 312.335 4.598 30 20 DJED CC[C@H](NCc1ccc(Cl)cc1F)c1ccc(C#N)cc1 447600523 MPEFIYLWRUZYOV-KRWDZBQOSA-N 302.780 4.592 30 20 DJED C=C[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1C(F)(F)F 488834492 XKBRPCZHFNFVPX-LLVKDONJSA-N 317.738 4.540 30 20 DJED CCC[C@H](CC1CCCC1)C(=O)N[C@H](C)c1ccc(C#N)cc1 499415562 RIMHZGAELGDIJN-DNVCBOLYSA-N 312.457 4.732 30 20 DJED C=CCN(Cc1cccs1)Cc1cnc(C(C)(C)C)s1 506004821 ISZRDHFUOCVUNB-UHFFFAOYSA-N 306.500 4.690 30 20 DJED CC(C)Oc1ccccc1CNc1ccc(Cl)cc1C#N 511361304 QOTGENQAUUELOU-UHFFFAOYSA-N 300.789 4.611 30 20 DJED C=CCN(C(=O)[C@@H](C)c1ccc(Cl)s1)c1ccccc1 531179433 BOFJYAKKYQCXDI-LBPRGKRZSA-N 305.830 4.724 30 20 DJED C=CCCO[C@H](C)C(=O)N(Cc1cccs1)C(C)(C)CCC 549323342 RRQMQVDRFOUKRX-OAHLLOKOSA-N 323.502 4.637 30 20 DJED CC(C)(C#N)CCCCN(CCC(F)(F)F)CC(F)(F)F 560022751 ZCMXKGMTHHMQNI-UHFFFAOYSA-N 318.305 4.523 30 20 DJED CC(C)Oc1ccc([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)cc1 569055312 FUQSDTMQBGZKGL-VFNWGFHPSA-N 320.436 4.684 30 20 DJED C=CCCC(=O)N[C@@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F 588032737 FMTWRKGNUBHUMI-HNNXBMFYSA-N 313.363 4.670 30 20 DJED CSc1ccc(CSCc2cc(C#N)ccc2F)cc1 588671173 FGTKCYWNEOIZBR-UHFFFAOYSA-N 303.427 4.853 30 20 DJED C[C@H](Nc1ccc(C(F)(F)F)c(F)c1)c1cccc(C#N)c1 600856002 IWXFKQUFSFZKDH-JTQLQIEISA-N 308.278 4.889 30 20 DJED Cc1csc(-c2cccc(Nc3cccc(F)c3C#N)c2)n1 608831657 YBQBLGSWXIQYSP-UHFFFAOYSA-N 309.369 4.873 30 20 DJED CC(C)C[C@H](C)CC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 609010754 RJNIDOOUOBLIJZ-KRWDZBQOSA-N 314.473 4.615 30 20 DJED CCc1ccc(/C=C\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 731155346 DVAYDDIIVJBXOW-VURMDHGXSA-N 321.785 4.768 30 20 DJED CCc1ccc(/C=C/C(=O)c2ccccc2OC(F)F)s1 731155819 UNSMZUGYLVGZPT-MDZDMXLPSA-N 308.349 4.808 30 20 DJED C=CCN(C(=O)NCC1(c2cccs2)CCCCC1)C(C)C 740484563 OWKUMLXBUNUVAI-UHFFFAOYSA-N 320.502 4.556 30 20 DJED Fc1ccc([C@@H]2CCCC2=NNc2ccc(Cl)nc2)cc1 743450771 ZGTBGOHGWKOXCH-AWEZNQCLSA-N 303.768 4.610 30 20 DJED CC(=NNc1nc(C)cc(C)n1)c1cccc(-c2ccccc2)c1 746484791 LLEIIBCUIXAZDQ-UHFFFAOYSA-N 316.408 4.597 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccc(F)c(C#N)c2Cl)s1 761477520 MFYWCHLCABGJQW-GQCTYLIASA-N 305.761 4.617 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2c(Cl)oc3ccccc23)s1 762443142 OXWYCLGOYKXWHO-SREVYHEPSA-N 313.765 4.915 30 20 DJED C=C(Cl)COc1ccc([C@@H](C)NCc2ccccc2)cc1 764550130 IBNCTYLEKKXEDU-OAHLLOKOSA-N 301.817 4.669 30 20 DJED C#CC[C@H](N[C@@H](C)c1ccc(SC)c(F)c1)c1ccccc1 773113614 DIMSUKHAHGNYDR-KSSFIOAISA-N 313.441 4.963 30 20 DJED C#CCCCCCC(=O)N1CCCC[C@@H]1c1cccc(C)c1C 779963642 BXLJNEQUGMWRGX-HXUWFJFHSA-N 311.469 4.941 30 20 DJED CC(C)(C#N)CCCOC(=O)c1ccc(-c2ccccc2F)o1 782601817 VZIJMQCAOFEDOX-UHFFFAOYSA-N 315.344 4.572 30 20 DJED O=C(/C=C/c1ccc(-c2cccc(F)c2F)o1)c1cscn1 790224456 CAQYIZMXWVQHJV-GQCTYLIASA-N 317.316 4.577 30 20 DJED CC(C)(CC(=O)[C@H](C#N)c1nc2ccccc2[nH]1)C1CCCCC1 796620998 YCKNUPIQTCMMOD-HNNXBMFYSA-N 323.440 4.736 30 20 DJED C#C[C@@H](CCC)NC(=O)Nc1c(CCC)cccc1C(C)C 806450554 XIIHLXSXOGCHEX-INIZCTEOSA-N 300.446 4.686 30 20 DJED C=CC(C)(C)C(=O)OCc1nc(C)c(-c2ccc(Cl)cc2)o1 837864930 SUJHGQXFMVJTEZ-UHFFFAOYSA-N 319.788 4.559 30 20 DJED CC(CCCCC#N)=NNc1ccc(Br)c(C)c1 841621114 SGOIHTSYUWSGQW-UHFFFAOYSA-N 308.223 4.629 30 20 DJED FC(F)SCc1ccc(C=NNc2ccccc2Cl)o1 916262256 GLQIHFDSYOIYNL-UHFFFAOYSA-N 316.760 4.835 30 20 DJED CCCC[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)C1CCC1 1185802088 UFWLKLBDIFJYTD-CYBMUJFWSA-N 311.351 4.743 30 20 DJED N#Cc1cc(CN2CC3(CCCC3)c3ccccc32)ccc1F 1307549824 BVZNMIQHCVZVER-UHFFFAOYSA-N 306.384 4.529 30 20 DJED Cc1cc(CN[C@@H](C)Cc2ccc(C(C)C)cc2)ccc1C#N 1308333245 LESJFGFXBPENFX-KRWDZBQOSA-N 306.453 4.711 30 20 DJED CCCCCC[C@@H](C)c1nnc(COc2ccccc2C#N)o1 1322088347 PJFAPPOSSHXUGP-CQSZACIVSA-N 313.401 4.594 30 20 DJED Cc1ccc(C(C)(C)CN(C)[C@H](C)c2cccc(C#N)c2)cc1 1459573423 ILKKWKMMYNAMAV-QGZVFWFLSA-N 306.453 4.837 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N1C[C@@H](C(C)C)c2ccccc21 1476231671 CSDRZEMQZVTSTC-KRWDZBQOSA-N 319.408 4.658 30 20 DJED CC[C@@H](OC(=O)c1ccc(CC#N)cc1)C(C)(C)c1ccccc1 1532020327 JGIBROVWLOGUFG-LJQANCHMSA-N 321.420 4.666 30 20 DJED Cc1csc(NC(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)c1C#N 1539627545 PEOYIVKQNALKDV-CVEARBPZSA-N 324.449 4.526 30 20 DJED Cc1ccc(C#N)cc1C(=O)Nc1cc(C(F)F)ccc1Cl 1544135934 SGOPYITYCYCEPK-UHFFFAOYSA-N 320.726 4.710 30 20 DJED Cc1ccc(CSc2nc(C(F)(F)F)ccc2C#N)c(C)c1 1559400473 FTFVLWMAXBVIGM-UHFFFAOYSA-N 322.355 4.881 30 20 DJED CCCC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 1562110415 MCKSXWCDTLXVFP-WBMJQRKESA-N 319.836 4.692 30 20 DJED C=C(Br)CN[C@H]1CC(C)(C)CCc2ccccc21 1617466286 ZEAFOSWZAMAFPJ-HNNXBMFYSA-N 308.263 4.588 30 20 DJED N#Cc1cc(Cl)ccc1CN1Cc2ccccc2C2(CCC2)C1 1617845485 FUWPWOSIZOWTAU-UHFFFAOYSA-N 322.839 4.649 30 20 DJED C[C@@H]1CCCc2ccccc2[C@H]1Nc1nc(Cl)c(C#N)s1 1642546519 YHXFTPZVMGCKIU-YGRLFVJLSA-N 317.845 4.794 30 20 DJED Cc1nc(N2CC[C@H](CC(C)(C)C)C2(C)C)c(Cl)cc1C#N 1642931810 DAVVURJIYOAOOC-CQSZACIVSA-N 319.880 4.956 30 20 DJED CCc1ccc(-c2nc(COc3ccc(C#N)cc3)cs2)cc1 1651621324 TXNHCPOXBJXERV-UHFFFAOYSA-N 320.417 4.823 30 20 DJED C=C(Br)CNC1(c2cccc(Cl)c2)CCCC1 1653017458 APTLLFLNQRZLOR-UHFFFAOYSA-N 314.654 4.608 30 20 DJED N#CC1(CCN(CCc2ccc(F)cc2)C2CC2)CCCCC1 1657299655 YUPJKBQQWVTQDR-UHFFFAOYSA-N 314.448 4.697 30 20 DJED CC1(C)C[C@@H](c2ccccc2)N(CCc2ccc(C#N)cc2)C1 1659109528 OTROFPNFBFEOND-FQEVSTJZSA-N 304.437 4.574 30 20 DJED CC(C)CC[C@H](NC(=O)Nc1cccc(CC#N)c1)C(C)(C)C 1670084655 PPWDPJHSNLDROT-KRWDZBQOSA-N 315.461 4.725 30 20 DJED O=C(O)c1ccccc1NN=C1CCC[C@H](C2CCCCC2)C1 1776032048 KJQRUGRHOZJWGK-HNNXBMFYSA-N 314.429 4.923 30 20 DJED O=C(O)c1cccc(NN=Cc2ccc(C3CC3)c(C3CC3)c2)c1 1776037759 ADOVFPZQPCHLQS-UHFFFAOYSA-N 320.392 4.586 30 20 DJED CCN(C)c1ccc([C@H](C)N[C@@H](CCC#N)c2ccccc2)cc1 90665818 FKZWATYULGIXBI-UWJYYQICSA-N 321.468 4.838 30 20 DJED CCCC[C@@H](NCc1ccc(C#N)cc1)c1ccc(OC)cc1 103172574 LUNCLNVMXSOZNV-HXUWFJFHSA-N 308.425 4.588 30 20 DJED C=CCCC(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 129516468 QFTYENYYDJZFFK-UHFFFAOYSA-N 324.405 4.574 30 20 DJED CC(C)c1noc([C@H](C)S[C@H](C)c2cccc(C#N)c2)n1 190787736 NHCRZEMFRUIZSZ-NEPJUHHUSA-N 301.415 4.620 30 20 DJED Cc1cc(C(F)(F)F)ccc1CNc1ccc(CC#N)cc1 190847104 YXWFRLQUEZVDHY-UHFFFAOYSA-N 304.315 4.692 30 20 DJED CC(C)CCOc1cccc(NCc2cc(C#N)cs2)c1 236587223 AJFRKKMLNGOWPR-UHFFFAOYSA-N 300.427 4.657 30 20 DJED CC[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc(OC)cc1 271978677 YLXCTOUOAFSWRH-BFUOFWGJSA-N 312.388 4.508 30 20 DJED CC[C@H](N[C@H](c1ncccc1C)C(C)C)c1ccc(C#N)cc1 278908170 ZXQLROQYYAEJHX-OALUTQOASA-N 307.441 4.700 30 20 DJED C[C@@H](Nc1ccc(OCC#N)cc1)c1cc2c(s1)CCCC2 316652892 RDURAJBZLHPLEZ-CYBMUJFWSA-N 312.438 4.702 30 20 DJED CC[C@H](CC1CCCCC1)/C(O)=N/[C@@H]1CCCc2c[nH]nc21 330159638 RDERKHYDVWHFPG-GDBMZVCRSA-N 303.450 4.740 30 20 DJED Cc1ccc(N=C(O)c2sc(CC(C)C)nc2C)c(C)c1O 330597616 WFYFTASTFKICJP-UHFFFAOYSA-N 318.442 4.609 30 20 DJED CC(C)c1cccc2c1OCCC[C@@H]2NCC(C)(C)CCC#N 348233953 WKXATHSVXDQTLM-SFHVURJKSA-N 314.473 4.943 30 20 DJED C=CCC[C@H](NC(=O)CCCC#N)c1ccc(C(F)(F)F)cc1 360380520 WGCQSGQKILUMFC-HNNXBMFYSA-N 324.346 4.523 30 20 DJED Cc1ccc(-c2nc(CSCC3(C#N)CCC3)cs2)o1 419395137 XUAIRQOIGCSNOZ-UHFFFAOYSA-N 304.440 4.639 30 20 DJED CC[C@@H](Nc1cc(OC)ccc1OC(C)C)c1ccc(C#N)cc1 447597158 FLLPNFCBDZIPQT-GOSISDBHSA-N 324.424 4.917 30 20 DJED COc1ccc(-c2ccc(CN[C@@H]3CCC[C@H](C#N)C3)cc2)cc1 463298598 DOMKWULITBTEHZ-FXAWDEMLSA-N 320.436 4.534 30 20 DJED C=C(C)CN(C)C(=O)[C@H](Sc1ccccc1)c1ccccc1 479224507 WWOBNDZSMFRRDB-GOSISDBHSA-N 311.450 4.555 30 20 DJED C=CC[C@@H](C(=O)N[C@@H]1CCSc2ccccc21)c1ccccc1 487810381 YOLAHURCOMHXGP-SJLPKXTDSA-N 323.461 4.700 30 20 DJED C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 488882444 PBAQHLLKZLYHCV-LSTHTHJFSA-N 305.421 4.510 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1cc(Cl)c(C)cc1Cl 488926838 BIXOKSFOYYXXDI-NSHDSACASA-N 313.228 4.874 30 20 DJED C[C@H](CC(=O)N[C@H](C#N)c1ccc(Cl)cc1)C1CCCCC1 499836051 IAOPLWCHIRIVTB-CXAGYDPISA-N 318.848 4.627 30 20 DJED C=CCN(Cc1ccccc1)C(=O)C[C@H](CC)c1ccccc1 504394368 NMWNOLDUWAUFPI-IBGZPJMESA-N 307.437 4.785 30 20 DJED CCOc1ccc(C#N)cc1NC(=O)[C@H](CC)CC1CCCC1 510498619 CTFWGWWRYLMUIK-MRXNPFEDSA-N 314.429 4.502 30 20 DJED CC(C)(C)CCCCNC(=O)Nc1ccc(C(C)(C)C#N)cc1 519189179 QNFVOQPDLXVCGK-UHFFFAOYSA-N 315.461 4.826 30 20 DJED CC(C)C[C@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 524820215 JHHNBJRVEKOQLG-JXFKEZNVSA-N 320.436 4.565 30 20 DJED CC(C)(C#N)CCSc1nccn1-c1ccc(Cl)cc1 525190555 MVEHLNNHODXPJL-UHFFFAOYSA-N 305.834 4.558 30 20 DJED C=CCC[C@@H](NCc1cnc(OC)c(Cl)c1)c1ccccc1 537154778 FTQNQAYYMAMAIH-QGZVFWFLSA-N 316.832 4.541 30 20 DJED C=CCC[C@@H](C(=O)Nc1cccc2ccncc12)c1ccccc1 548615952 GZFUGILFRLBGCZ-GOSISDBHSA-N 316.404 4.923 30 20 DJED COc1cc(C)ccc1[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 569558603 ZMKYNNXDJUPVBF-QRWLVFNGSA-N 320.436 4.604 30 20 DJED C=CC[C@H](C)NC(=O)N1CC=C(c2cccc3ccccc23)CC1 580975556 ZLFQPHYCCYXYMY-INIZCTEOSA-N 320.436 4.603 30 20 DJED N#Cc1ccc2c(c1)[C@H](NC1(c3ccc(Cl)cc3)CCC1)CC2 589342909 RSCZFKBVHWLVGV-LJQANCHMSA-N 322.839 4.868 30 20 DJED C[C@@H](Cc1ccc(C#N)cc1)c1nc([C@H](C)c2cccs2)no1 594528331 AGRMYBUEARQAGR-QWHCGFSZSA-N 323.421 4.501 30 20 DJED N#CC1(COc2cc(C(F)F)nc3ccc(Cl)cc23)CCC1 596280706 BIVNMFACFLTFSH-UHFFFAOYSA-N 322.742 4.898 30 20 DJED C[C@H](Nc1ncccc1C#N)C(c1ccccc1)c1ccccc1 603627647 BGAWFCFDENYIMZ-INIZCTEOSA-N 313.404 4.586 30 20 DJED CCc1ccc([C@@H](C)C(=O)N(CCC#N)CC(CC)CC)cc1 609188633 PRGUPOYBNWSMSO-MRXNPFEDSA-N 314.473 4.531 30 20 DJED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1cc2c(s1)CCCC2 610829835 NXYZSJZTXXJGET-KGLIPLIRSA-N 310.466 4.910 30 20 DJED CCOc1cccc2cc([C@H](C)Nc3ccc(C#N)cc3)oc12 619511640 VSIAYJXDJTXIRW-ZDUSSCGKSA-N 306.365 4.876 30 20 DJED CCC(C)(C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 726858652 POYOCAGSUOEQBH-CQSZACIVSA-N 312.438 4.731 30 20 DJED COc1ccc(/C=C\C(=O)c2oc3ccc(OC)cc3c2C)cc1 729150268 JJFWOGZWWVZYIU-POHAHGRESA-N 322.360 4.655 30 20 DJED O=C1/C(=C\c2cccc(F)c2F)CCOc2c(Cl)cccc21 733748580 CTCDBQJLZHCTDV-LUAWRHEFSA-N 320.722 4.667 30 20 DJED Cc1cc(F)ccc1C(=O)/C=C/c1ccc(OCC(F)F)cc1 741840932 HNDXJHDSRROBOH-RUDMXATFSA-N 320.310 4.674 30 20 DJED O=C1/C(=C\c2nccc3ccccc23)Cc2cc(Cl)ccc21 742436368 AYZVBQASHGFVMI-KAMYIIQDSA-N 305.764 4.711 30 20 DJED CC(C)c1ncc(/C=C\C(=O)c2ccccc2OC(F)F)s1 758423792 RUKYZMIKUXRMKK-FPLPWBNLSA-N 323.364 4.764 30 20 DJED C#CC[C@@H](NCc1csc(CCC(C)C)n1)c1ccccc1 775397955 CCBSJCTXBQUDPT-GOSISDBHSA-N 312.482 4.586 30 20 DJED Cc1ccc2nc(C3CC3)cc(C(=O)OCCC(C)(C)C#N)c2c1 776393477 GPRYLVDULHBTEN-UHFFFAOYSA-N 322.408 4.517 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2cc3ccccc3s2)cc1F 776728065 CICMPCQHRXNRHE-BQYQJAHWSA-N 307.349 4.808 30 20 DJED C#CCCCCCC(=O)N[C@@H](C)c1cccc(Cl)c1Cl 779913685 JTURHQCBONVMAR-LBPRGKRZSA-N 312.240 4.754 30 20 DJED Cc1ccc(C(=O)/C=C/c2cc(Cl)cs2)cc1[N+](=O)[O-] 782306299 QCMLNURBUVNMSM-SNAWJCMRSA-N 307.758 4.514 30 20 DJED C=CCC1(C(=O)O[C@H](C)c2nc3ccc(Cl)cc3[nH]2)CCC1 791801886 LSPJEIWOONSTFW-LLVKDONJSA-N 318.804 4.567 30 20 DJED CCOc1cccc(/C=C\C(=O)c2c(F)cccc2Cl)c1 809158726 CRCMVBKDCOPCSG-KTKRTIGZSA-N 304.748 4.774 30 20 DJED C[C@@H](Nc1ccc2ccnc(Cl)c2c1)c1cccc(C#N)c1 864018679 PFZNSESLDGAAPE-GFCCVEGCSA-N 307.784 4.933 30 20 DJED Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc(-c2cccs2)cc1 915987149 VJNWDBFEAWGDOB-KTKRTIGZSA-N 308.406 4.651 30 20 DJED CCCCCCCC(=O)O[C@H](C)C(=O)Nc1c(C)cccc1C 919222200 OBMBRCORXYKAND-MRXNPFEDSA-N 319.445 4.534 30 20 DJED C[C@H](CC(=O)N(c1cccc(C#N)c1)C1CCC1)c1ccccc1 1130953294 WYWVEFZVARMYQV-MRXNPFEDSA-N 318.420 4.638 30 20 DJED CC[C@@H]1CN(Cc2ccc(F)cc2C#N)CC[C@H]1c1ccccc1 1167603772 ZLQHUKBGWKMLOK-IIBYNOLFSA-N 322.427 4.713 30 20 DJED C[C@]1(c2ccccc2)CC[C@H](Nc2ccc(OCC#N)cc2)C1 1255466865 DQRPQNIPMYGXQM-ICSRJNTNSA-N 306.409 4.511 30 20 DJED CCCC[C@@H](C)[C@@H](C)Nc1ccc(NC(=O)OCC)c(C#N)c1 1308681385 PMVLHOKEWCZKTC-ZIAGYGMSSA-N 317.433 4.753 30 20 DJED COC(=O)c1cc2ccccc2cc1SCCC(C)(C)C#N 1459276904 YQLJESPQLLWOOW-UHFFFAOYSA-N 313.422 4.658 30 20 DJED Cc1c(C#N)cccc1C(=O)N[C@@H](CC1CCC1)c1ccccc1 1527343178 DINVGBLPCGBJMY-FQEVSTJZSA-N 318.420 4.528 30 20 DJED C[C@H]1CCc2sc(NC(=O)c3cccs3)c(C#N)c2[C@@H]1C 1527535769 MUJHEHKVIMUPQR-VHSXEESVSA-N 316.451 4.619 30 20 DJED C=C(Br)CN(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 1559591400 ZGGRIMJGGJMMMG-NEPJUHHUSA-N 316.670 4.672 30 20 DJED N#CCCN(Cc1cccc(Oc2ccc(F)cc2)c1)CC1CC1 1621145013 YTSNTVOTMJRRRW-UHFFFAOYSA-N 324.399 4.744 30 20 DJED CC[C@H]1CN(Cc2ccc(C#N)s2)CC[C@@H]1c1ccccc1 1644758381 BCHMJUSJWIXFQV-KXBFYZLASA-N 310.466 4.635 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)C[C@@H]1CCc2ccccc21 1651905823 MEUSNZNEPITZGK-NRFANRHFSA-N 318.464 4.746 30 20 DJED CC[C@@H](Cc1ccc(C)cc1)NCc1ccc(C#N)c(Cl)c1 1652285312 NFWBYOPYBZUWAN-SFHVURJKSA-N 312.844 4.631 30 20 DJED Cc1cccc(CCCN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 1652554843 LOEZKDPWBAXVIE-FGZHOGPDSA-N 318.464 4.699 30 20 DJED CCCC[C@@H](CC)COc1c(C#N)cnc2ccc(OC)cc12 1656691527 MWNNHVLQDSFGQV-CQSZACIVSA-N 312.413 4.710 30 20 DJED C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](c2ccccc2)CC1 1657174531 JTGQDHRYQSHVGG-YLJYHZDGSA-N 304.437 4.889 30 20 DJED N#Cc1c(F)cccc1CNCc1ccc(-c2cccs2)cc1 1665199696 XYYZUOGOZADXLV-UHFFFAOYSA-N 322.408 4.716 30 20 DJED Cc1csc(NC(=O)N[C@H](C)CCC2CCCCC2)c1C#N 1671134512 SPQXYHKQRUDEQI-CYBMUJFWSA-N 319.474 4.799 30 20 DJED C=CCNc1nnc(S[C@H](C)c2ccccc2Cl)s1 5785830 QBCUJJLYBCTSOP-SECBINFHSA-N 311.863 4.643 30 20 DJED Cc1ccsc1C(=O)Nc1cccc(C#Cc2cccs2)c1 22879317 FYPLBWCTBJMCNN-UHFFFAOYSA-N 323.442 4.770 30 20 DJED C[C@@H](SCCOc1ccccc1C#N)c1ccc(F)cc1 60521432 CMXJYNNUDGACKK-CYBMUJFWSA-N 301.386 4.571 30 20 DJED C=CCOc1ccc(CN[C@H](C)c2csc(C(C)C)n2)cc1 76900264 KYLSXBFOLBTIRS-CQSZACIVSA-N 316.470 4.682 30 20 DJED Cc1ccc(C)c(C(=O)Nc2ccccc2SCCC#N)c1 108201245 MDEPCOHGYGGERJ-UHFFFAOYSA-N 310.422 4.562 30 20 DJED C/C(=C\C(=O)[C@@H](C#N)c1nc(C(C)C)cs1)c1ccccc1 177754719 SRPJUAHHXVBNJL-BMQCOBNYSA-N 310.422 4.546 30 20 DJED C=CCC[C@@H](NC[C@@H]1CCO[C@H]1c1ccccc1)c1ccco1 287477550 MSCFDPGPGGKMMC-NSHGMRRFSA-N 311.425 4.654 30 20 DJED C[C@H](NC1CC(c2ccccc2Cl)C1)c1ccc(C#N)cc1 315392435 FQWYFKNXJYXACT-IGEOTXOUSA-N 310.828 4.808 30 20 DJED N#CC1(c2ccccc2)CC(N[C@@H]2CCCCC23CCCC3)C1 324216565 DRFSRIPFFVDCTG-OBXNSHGQSA-N 308.469 4.703 30 20 DJED Cc1cccnc1/C(O)=N/[C@@H]1CC2(CCCC2)Oc2ccccc21 330082841 BCBGLQKXIVFHDN-MRXNPFEDSA-N 322.408 4.531 30 20 DJED CC[C@H](CC(F)F)C(=O)Nc1sc(C(C)(C)C)cc1C#N 411007428 NPMWDDKUQMAGCH-SECBINFHSA-N 314.401 4.537 30 20 DJED C=CCC(C)(C)C(=O)N[C@H](C)c1cc2cccc(OCC)c2o1 429920544 IBLFDVQIRQFPND-CYBMUJFWSA-N 315.413 4.611 30 20 DJED Cc1ccc(CCCC(=O)Nc2ccc(C#N)c(Cl)c2)s1 429942131 JWKIBHBJPRUWSC-UHFFFAOYSA-N 318.829 4.543 30 20 DJED C=CCC[C@@H](NC(=O)c1cc(F)c(F)cc1F)c1ccccc1 437122554 IVQQYNLEBZPOPT-QGZVFWFLSA-N 319.326 4.541 30 20 DJED COc1ccc2cc([C@H](C)Sc3ccc(C#N)cn3)ccc2c1 439280388 ZGFRDTBCTZWJMC-ZDUSSCGKSA-N 320.417 4.968 30 20 DJED C=CCCN(C)C(=O)NCc1sc2ccc(Cl)cc2c1C 441007202 IHIQYVJOSGMLCN-UHFFFAOYSA-N 322.861 4.581 30 20 DJED N#C[C@@H]1CC[C@@H](Nc2ccccc2COCc2ccccc2)C1 442867386 OHDOPZHYKBPJCB-IEBWSBKVSA-N 306.409 4.508 30 20 DJED C[C@H](NCCc1cccc(C#N)c1)[C@H](C)c1ccc(Cl)cc1 467448056 CLYWIRZBQYGNLT-GJZGRUSLSA-N 312.844 4.536 30 20 DJED N#Cc1ccc(COc2cc(C(F)(F)F)ccc2Cl)cc1 480519465 PSWRQHNSXCUIJS-UHFFFAOYSA-N 311.690 4.809 30 20 DJED C=CC[C@H](C(=O)N[C@H](C)c1cccc(F)c1F)c1ccccc1 489631349 SDQAMZHYUQVZHZ-CJNGLKHVSA-N 315.363 4.502 30 20 DJED N#Cc1ccc(CN2CCC[C@H](c3ccc(F)cc3)CC2)s1 497134804 WKCPPHLKKZBXAG-AWEZNQCLSA-N 314.429 4.529 30 20 DJED N#Cc1ccc(CN2CCC[C@@H](c3ccc(F)cc3)CC2)s1 497134816 WKCPPHLKKZBXAG-CQSZACIVSA-N 314.429 4.529 30 20 DJED C=CCN(Cc1ccccc1)C(=O)c1oc2ccc(F)cc2c1C 497798273 KHPHNXVVFSZXNX-UHFFFAOYSA-N 323.367 4.709 30 20 DJED C[C@H](SCCOc1ccccc1C#N)c1ccc(F)c(F)c1 498109545 BIECLXHTIKBMOZ-LBPRGKRZSA-N 319.376 4.710 30 20 DJED CCN(C/C(C)=C/c1ccccc1C(F)(F)F)C[C@@H](C)C#N 503953584 PLUQUIILAAFPIA-SSUFTNFISA-N 310.363 4.590 30 20 DJED C=CCN(C(=O)CCCCOc1cccc(C)c1)c1ccccc1 512962229 PAWZMLNEMQKFNE-UHFFFAOYSA-N 323.436 4.763 30 20 DJED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)Cc1ccccc1C#N 521814215 OHGJQHJYRZBAFH-ZDUSSCGKSA-N 318.342 4.770 30 20 DJED N#Cc1cccc(N[C@H](c2ccccc2)c2cccc(Cl)c2)n1 522904526 ZUNSRVNBEPUJDB-LJQANCHMSA-N 319.795 4.808 30 20 DJED N#Cc1ccc(Oc2cccc(NC(=O)C3=CCCCC3)c2)cc1 527357157 XRDPNBISRGUJAN-UHFFFAOYSA-N 318.376 4.789 30 20 DJED C[C@H](N[C@@H](C)c1nccc2ccccc12)c1ccc(C#N)cc1 554987929 GXUWHKZOZWYMNY-GJZGRUSLSA-N 301.393 4.518 30 20 DJED N#C[C@H]1CC[C@H](N2CC=C(c3cccc4ccccc34)CC2)C1 555334430 WIDHVALTUFEFQE-LPHOPBHVSA-N 302.421 4.621 30 20 DJED N#Cc1ccc2c(c1)[C@H](N[C@H]1CC[C@@H](c3cccc(F)c3)C1)CC2 571129234 IVOSFTJQTNUDMO-SLYNCCJLSA-N 320.411 4.611 30 20 DJED CC[C@](C)(C#N)C(=O)N1CCCc2cc(-c3ccccc3)ccc21 573283517 QNMDVCSXJBVDAT-OAQYLSRUSA-N 318.420 4.573 30 20 DJED C[C@H]1CC[C@H](C(F)(F)F)CN1CCC1(C#N)CCCCC1 591026240 WXDUVLILMWWYPF-KBPBESRZSA-N 302.384 4.513 30 20 DJED Cc1cc(Oc2ccccc2)ccc1NC[C@@H](C#N)CCC#N 591773928 DWFFAQUWOAQPMP-MRXNPFEDSA-N 305.381 4.643 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC(=O)C[C@@H]1CCCC[C@H]1C 604440761 PURZHAKVPVENTO-ZBFHGGJFSA-N 314.429 4.500 30 20 DJED N#Cc1cccc(NC(=O)c2cccc(OC3CCCCC3)c2)c1 609965691 HCDPLOUJJVAALS-UHFFFAOYSA-N 320.392 4.522 30 20 DJED CCC[C@@H](CC1CCCCC1)C(=O)N1CCC[C@@](C)(C#N)C1 612368861 OFLYJYDULLIOFE-HKUYNNGSSA-N 304.478 4.525 30 20 DJED C=C(C)[C@H](N[C@@H]1CCCc2scnc21)c1ccc(F)c(F)c1 623963711 MXXRDVQGQJLJIZ-ZBFHGGJFSA-N 320.408 4.706 30 20 DJED C=CC[C@@H]1CCCN(C(=O)Nc2ccccc2C(C)(C)C)C1 665163673 IPQCTBHEJSCPQV-OAHLLOKOSA-N 300.446 4.804 30 20 DJED CCCCCCC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 733258740 JXEDBPHUQDLYFF-ZDUSSCGKSA-N 313.228 4.645 30 20 DJED Cc1cc(F)ccc1-c1ccc(CNCc2ccc(C#N)cc2)o1 734507559 WEPXAZVUZDRGGE-UHFFFAOYSA-N 320.367 4.556 30 20 DJED N#Cc1ccc(-c2cccc(CNCc3cccc(F)c3)c2)s1 740012074 VLBBCFOVTQUJQU-UHFFFAOYSA-N 322.408 4.716 30 20 DJED O=C(/C=C/c1ccc(-n2cccn2)cc1)c1coc2ccccc12 747705043 JNOVQAPLIVAFNE-DHZHZOJOSA-N 314.344 4.515 30 20 DJED CC(=NNc1cccc(C#N)c1)[C@@H](C)c1nc2ccccc2s1 748780779 OCQFFQZYNQOSRU-GFCCVEGCSA-N 320.421 4.759 30 20 DJED CCOc1c(Cl)cc(/C=C\C(=O)c2ccsc2)cc1OC 749101728 JCBKPRJVYASCCN-PLNGDYQASA-N 322.813 4.705 30 20 DJED C=CCC[C@H](NC(=O)/C(C)=C/C)c1ccc(C(F)(F)F)cc1 749947436 PPTMSHYIWWKZQJ-LYOQKUPSSA-N 311.347 4.795 30 20 DJED C=C[C@@H](CC(=O)OCc1nc2ccccc2s1)c1ccccc1 758919410 FVCDMERUFFLZAI-AWEZNQCLSA-N 323.417 4.699 30 20 DJED O=C1/C(=C\c2ccc(C(F)(F)F)s2)Cc2ccc(F)cc21 761480229 QEYXGYCPMCMYOU-TWGQIWQCSA-N 312.287 4.728 30 20 DJED CCCCCCC[S@](=O)Cc1cc(Cl)ccc1OC 764437718 IWVSQASPBHGJGW-IBGZPJMESA-N 302.867 4.568 30 20 DJED Cc1ccc([C@H](C)C(=O)Nc2cc(C(C)(C)C)sc2C#N)o1 774162757 HDYXMCNQWQFDJD-NSHDSACASA-N 316.426 4.561 30 20 DJED CC(CCC1CCCCC1)=NNc1ccc2c(=O)[nH]ccc2c1 789070240 HMCXSPVDEZQROW-UHFFFAOYSA-N 311.429 4.676 30 20 DJED COc1ccc(Cl)cc1/C=C\C(=O)c1ccc(F)c(F)c1 917143328 YTAIGULQMRTVSN-UTCJRWHESA-N 308.711 4.523 30 20 DJED Cc1ccc(C(=O)/C=C\c2cn3cc(Cl)ccc3n2)cc1C 920754619 BGOICJXJBMBTHU-SREVYHEPSA-N 310.784 4.501 30 20 DJED CO[C@H]1CCC[C@@H](Sc2nc(-c3ccccc3)ccc2C#N)C1 1165663237 ISSNZSOFZPBPFJ-DLBZAZTESA-N 324.449 4.670 30 20 DJED CC[C@@H](C)CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)C)C2 1274181865 HFEQDUNAZLYXIT-CHWSQXEVSA-N 318.486 4.755 30 20 DJED CC[C@H](c1ccccc1)N(CC)c1nc(Cl)c(C#N)s1 1306946872 NWPJIYVFVIUHGN-GFCCVEGCSA-N 305.834 4.646 30 20 DJED CC[C@H](CN[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 1308442403 WZQHDKYIFHTFOT-DYESRHJHSA-N 304.437 4.719 30 20 DJED CCC[C@@H](CC1CCCC1)C(=O)Nc1ccc(OCC#N)cc1 1339003487 PJNPBZXLIUGALY-INIZCTEOSA-N 314.429 4.524 30 20 DJED CC(C)CCN(CCC(C)C)C(=O)CC1(C#N)CCCCC1 1352302169 CKISMCQWRDNWCA-UHFFFAOYSA-N 306.494 4.771 30 20 DJED CCC1(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCCCC1 1354475688 BYDZPXJZLFQOKO-UHFFFAOYSA-N 324.346 4.876 30 20 DJED CCC(C#N)(CC)C(=O)Nc1ccc(C)c(OCCC(C)C)c1 1360872612 VSYZQIOHNJVZQG-UHFFFAOYSA-N 316.445 4.688 30 20 DJED N#Cc1ccc(CSC2CCCCC2)c(Br)c1 1458837309 QSLXAVLICOLZRR-UHFFFAOYSA-N 310.260 4.887 30 20 DJED CCCCC1CCC(C(=O)N2CCCc3cc(C#N)ccc32)CC1 1526485936 QFAZAJKWDSLHCP-UHFFFAOYSA-N 324.468 4.834 30 20 DJED CC[C@@H](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 1530062270 ZBTNQOPDLWUCKK-GFCCVEGCSA-N 304.459 4.653 30 20 DJED C=C(CNC(=O)Nc1ccccc1OC(C)(C)C)c1ccccc1 1623103125 AHNPIEMIFIRQCP-UHFFFAOYSA-N 324.424 4.699 30 20 DJED Cc1ccc(C#N)c(NCCc2c(C)cc(C(C)(C)C)cc2C)n1 1639191788 SWLRDNNNGFVEFE-UHFFFAOYSA-N 321.468 4.831 30 20 DJED Cc1cc(C#N)nc(N[C@@H](c2ccc(CC(C)C)cc2)C(C)C)n1 1639204898 XDMVPQZSRSMJQM-LJQANCHMSA-N 322.456 4.664 30 20 DJED COc1ccc(C)cc1CSCc1ccc(Cl)cc1C#N 1643791068 GUAHLJSRCPWGHP-UHFFFAOYSA-N 317.841 4.962 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1CCC(Cc2ccccc2F)CC1 1653552995 AMLFQSCRYOBSIS-INIZCTEOSA-N 322.427 4.713 30 20 DJED Cc1ccc2c(c1)[C@H](Nc1nc(C)c(C#N)cc1Cl)CCC2 1655528518 PPBMIJXFLCXFGU-QGZVFWFLSA-N 311.816 4.713 30 20 DJED C[C@H](CC#N)NCc1cc(F)ccc1Oc1ccc(Cl)cc1 1656872540 WEQSWMCOOGJJAB-GFCCVEGCSA-N 318.779 4.663 30 20 DJED N#Cc1cc(NC[C@@H]2CCSC2)ccc1Oc1ccccc1 1662610266 NFFKBUQPUSKWQZ-AWEZNQCLSA-N 310.422 4.516 30 20 DJED CN(Cc1cccc(C#N)c1)Cc1ccc(-c2ccc(F)cc2)o1 1664070094 KYBXYYFPBQAWMW-UHFFFAOYSA-N 320.367 4.589 30 20 DJED CCCc1ccc(C[C@@H](C)C=NNc2ccccc2C(=O)O)cc1 1776030909 BZRYLPPHDGWSTI-OAHLLOKOSA-N 324.424 4.614 30 20 DJED N#Cc1ccc(Cl)cc1N[C@@H]1CCOC2(CCCCC2)C1 94373976 UKIMPGKCZOXACL-OAHLLOKOSA-N 304.821 4.505 30 20 DJED CC[C@H](C)CN(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 111766932 JPHMVQUDEJRLLK-KBPBESRZSA-N 319.474 4.591 30 20 DJED C=CCC(CC=C)C(=O)N(Cc1ccccc1)Cc1ccco1 122372455 BYQCMMXRUUGKHW-UHFFFAOYSA-N 309.409 4.577 30 20 DJED CCC(=CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)CC 151699446 WPRILWXTOVDSQE-OAHLLOKOSA-N 310.422 4.733 30 20 DJED CC[C@H](CC#N)NC(=O)Nc1ccccc1SC1CCCC1 155688996 BWUDZCMLMCYKTP-CYBMUJFWSA-N 317.458 4.535 30 20 DJED CN(CCC#N)c1ccc(CNc2cccc3ccccc23)cc1 157708899 WWCHGJNOLSXTGV-UHFFFAOYSA-N 315.420 4.802 30 20 DJED Cc1cccc(C(C)C)c1NC(=O)CSc1ccccc1C#N 172681517 LHJHJFCYHAESPE-UHFFFAOYSA-N 324.449 4.721 30 20 DJED CC(C)n1cc(C(=O)/C=C/c2ccc(SC(F)F)cc2)cn1 180437904 PBRNHUMKYHBPFU-VMPITWQZSA-N 322.380 4.675 30 20 DJED C[C@@H](NCc1csc(-c2ccccc2)n1)c1ccc(C#N)cc1 192941245 ZUOCCQHRWQCJRG-CQSZACIVSA-N 319.433 4.533 30 20 DJED N#CCCCOc1cccc(N[C@H]2CCCc3c(O)cccc32)c1 291322816 UXFBDRVBVVVJQU-IBGZPJMESA-N 322.408 4.564 30 20 DJED CC(C)Oc1ccc(CNc2c(C#N)cnc3ccccc23)cc1 301326304 BBUDJJSAZYIBPH-UHFFFAOYSA-N 317.392 4.506 30 20 DJED C=C(C)CNc1nc(-c2sccc2Br)cs1 309626649 QIQLFLUMUDKBLX-UHFFFAOYSA-N 315.261 4.622 30 20 DJED CC1(C)CC[C@H](C/N=C(/O)c2ncoc2C2CC2)c2ccccc21 329040971 SSBVLRAVXMLUDM-CQSZACIVSA-N 324.424 4.712 30 20 DJED CCO[C@H](C)c1ncc(/C(O)=N/[C@@H]2CCCC[C@H]2CC)s1 330929845 ZBYMQPQKASWMKB-JHJVBQTASA-N 310.463 4.514 30 20 DJED C[C@H](SCc1ccc(-n2ccnc2)cc1)c1ccc(C#N)cc1 357033998 BWNPXBGPVQMPBD-HNNXBMFYSA-N 319.433 4.738 30 20 DJED Cc1ccc(SC2(CN[C@H]3CC[C@H](C#N)C3)CCCC2)cc1 442794345 RWZSAWYFEVNXET-IRXDYDNUSA-N 314.498 4.682 30 20 DJED N#C[C@@H]1CC[C@H](Nc2cccc(Cl)c2SCC(F)F)C1 442851751 GJAJMCSTSVZQHU-ZJUUUORDSA-N 316.804 4.801 30 20 DJED C=CCCN[C@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 462176274 NYLMKHDTAOHLCE-GOSISDBHSA-N 319.420 4.942 30 20 DJED C=CC[C@@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)c1ccccc1 467115946 JRBJNBNFNDTYHN-MAUKXSAKSA-N 319.404 4.970 30 20 DJED Cc1ccc2oc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2c1 477153508 YACISAUTDOXEEH-UHFFFAOYSA-N 318.376 4.795 30 20 DJED Cc1nc(SCc2cc(F)ccc2C#N)[nH]c1-c1ccccc1 488237227 YUEKOCRDVUIPTO-UHFFFAOYSA-N 323.396 4.688 30 20 DJED CCN(C(=O)C1CCC(C)(C)CC1)[C@@H](C)c1ccc(C#N)cc1 495041475 FHBVZJICYIFBIN-HNNXBMFYSA-N 312.457 4.684 30 20 DJED CCCC[C@H](CC)CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 504007454 VUWPULFTQKYKEC-KRWDZBQOSA-N 324.468 4.780 30 20 DJED N#Cc1ccccc1Oc1ccc(NC(=O)C[C@H]2C=CCC2)cc1 507908102 ZALXRBVMKZIZNU-HNNXBMFYSA-N 318.376 4.645 30 20 DJED N#CCc1ccc(CSCCCCC2CCOCC2)cc1 512395976 FWZJKVIPORCCBC-UHFFFAOYSA-N 303.471 4.583 30 20 DJED C=CCCCCCN(C)C(=O)c1nc(-c2ccccc2)cs1 513439772 OQKIGYPTUAPRRB-UHFFFAOYSA-N 314.454 4.629 30 20 DJED C=CCC[C@@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccccc1 517064008 WLJPPPLGOQQWPV-QGZVFWFLSA-N 307.353 4.586 30 20 DJED CCc1c(N[C@@H]2CCc3ccc(C#N)cc32)cnn1C(CC)CC 521122556 ULGUTHHUFCOAMA-GOSISDBHSA-N 322.456 4.778 30 20 DJED C=CCCCCCN(C)C(=O)N[C@H](CC)c1ccc(F)cc1F 524807921 XMJFOGHHQJUFQV-QGZVFWFLSA-N 324.415 4.804 30 20 DJED N#Cc1csc(CNC2(c3c(Cl)cccc3Cl)CC2)c1 531848202 SHWGHRHRVBSIJE-UHFFFAOYSA-N 323.248 4.705 30 20 DJED Cc1ccc2ccccc2c1CN[C@H](C)c1ccc(C#N)cc1 548935995 GCHPAHWLKQFLHO-MRXNPFEDSA-N 300.405 4.871 30 20 DJED C/C=C/c1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1 554016050 QMHFFBWIMUIRST-SNAWJCMRSA-N 304.393 4.773 30 20 DJED C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)c2ccccc12 566396700 GPBFTUBFQDRGBL-CYBMUJFWSA-N 322.358 4.840 30 20 DJED Cc1ccc(N[C@H]2CCc3ccc(C#N)cc32)cc1-c1ncco1 578178996 APJZEZVPLWZQCV-IBGZPJMESA-N 315.376 4.621 30 20 DJED C=CCC1(NC(=O)C[C@@H](C)c2c[nH]c3ccccc23)CCCC1 619110879 KHTRXBPGSASVRI-OAHLLOKOSA-N 310.441 4.667 30 20 DJED C=CCCC(C)(C)NC(=O)Nc1cc(-c2ncco2)ccc1C 666456627 QCJYDASKRXWKRQ-UHFFFAOYSA-N 313.401 4.516 30 20 DJED C=CC[C@H](CC)NC(=O)c1sc2cc(F)ccc2c1Cl 684939083 MKJKBOZTQGWSOS-JTQLQIEISA-N 311.809 4.778 30 20 DJED C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2ccccc2Cl)cc1 728694842 LAFRQQSSOYGIFZ-ZWXCPPHNSA-N 311.768 4.527 30 20 DJED C[C@H]1CCCC1=NNc1nc2cc(C(F)(F)F)ccc2s1 743445348 QPJHGDBUYWNTAR-QMMMGPOBSA-N 313.348 4.903 30 20 DJED COc1cccc(O)c1C=Nc1cccc(-c2cccs2)c1 750950578 WYEDNQJTLAFOQP-UHFFFAOYSA-N 309.390 4.880 30 20 DJED Cc1cccc2sc(C(=O)O[C@H](C#N)C(C)C)c(Cl)c12 751160236 AYQKNEWQWMDOQF-SNVBAGLBSA-N 307.802 4.568 30 20 DJED CCCCCCCCCCC(=O)N1CCC(c2ncc[nH]2)CC1 751412704 PWPHMZKLNQRYQH-UHFFFAOYSA-N 319.493 4.647 30 20 DJED C#CC[C@@H](NCc1ccc(-c2ccccc2F)o1)c1ccccc1 756996284 PQOXYIFUJJQCKH-HXUWFJFHSA-N 319.379 4.940 30 20 DJED FC(F)CON=C1CCC[C@H]1c1ccc(C(F)(F)F)cc1 758899148 FYTDVNBNVDJVPI-NSHDSACASA-N 307.262 4.611 30 20 DJED CC(C)[C@H](NCc1cc(C#N)ccc1F)c1cc2ccccc2o1 775421642 IOQOUMKXLJOQFP-FQEVSTJZSA-N 322.383 4.930 30 20 DJED C=CCOc1ccccc1CN[C@H](C)c1cc2ccccc2[nH]1 775635421 YDHUIIMUWCRZSX-OAHLLOKOSA-N 306.409 4.584 30 20 DJED C=CC[C@H](C(=O)OCc1ccc2ccccc2n1)c1ccccc1 777442983 GYWFKZIXKGPXMQ-IBGZPJMESA-N 317.388 4.638 30 20 DJED CC(C)Oc1cc(F)ccc1N[C@H](C)c1ccc(C#N)c(F)c1 779183705 GQVMJDJCPXSNFJ-GFCCVEGCSA-N 316.351 4.797 30 20 DJED C#CCCCCCC(=O)Nc1ccccc1COc1ccccc1 779859098 DKJHQLSQMQMMIE-UHFFFAOYSA-N 321.420 4.788 30 20 DJED CC/C(C)=C(\C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 779932269 ZBBMCHPVLCZMEL-REQDGWNSSA-N 302.443 4.766 30 20 DJED C#CCCCCCC(=O)N1CCCC[C@H]1c1cccc(C)c1C 779963641 BXLJNEQUGMWRGX-FQEVSTJZSA-N 311.469 4.941 30 20 DJED CC(C)(C#N)CCCOC(=O)C1(c2ccc(F)cc2)CCCC1 782033310 DAKBTINZIBRYJU-UHFFFAOYSA-N 317.404 4.511 30 20 DJED C[C@H](CC(=O)O[C@H](C#N)C1CCCCC1)c1c[nH]c2ccccc12 787225855 ORXDXVJKOMINHT-AUUYWEPGSA-N 324.424 4.677 30 20 DJED C[C@@]1(C=NNc2cc(C(F)(F)F)ccc2F)CCCS1 793034999 TXPCGZRTDZDMDT-LBPRGKRZSA-N 306.328 4.528 30 20 DJED Cc1cc(C(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)no1 806555440 DFJDRJZJENBPQZ-HWKANZROSA-N 315.678 4.551 30 20 DJED O=C(/C=C\c1c(Cl)ccc(Cl)c1Cl)c1cccnc1 818194664 MPCSPOZSNFRNKP-UTCJRWHESA-N 312.583 4.938 30 20 DJED CCCCCCCCC[S@](=O)Cc1cnc2ccccc2n1 849224067 XWIVNBJIKAWRNQ-QFIPXVFZSA-N 318.486 4.629 30 20 DJED CCCOc1ccc(/C=C/C(=O)c2ccccc2C)cc1OC 916155959 RWRQUYBGMPBQGQ-PKNBQFBNSA-N 310.393 4.689 30 20 DJED CCCCCCCC(=O)Nc1ccc(C)c(NC(C)=O)c1C 917828204 BQUSNYVKZSBZSG-UHFFFAOYSA-N 304.434 4.561 30 20 DJED CCCCCCCC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 917844070 UDCZNSHRZLZTFR-HKUYNNGSSA-N 321.436 4.523 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1ccc(C)c2ccccc12 1126773416 QFYYRVCOGQDFFV-UHFFFAOYSA-N 300.361 4.581 30 20 DJED CCC1(CC)CN(C(=O)[C@@]2(C#N)CC23CCCC3)c2ccccc21 1127410625 PZQCDVXQVLRCSW-NRFANRHFSA-N 322.452 4.565 30 20 DJED CCc1ccc([C@@H](C#N)N(C)C(=O)CC2(C)CCCCC2)cc1 1129379759 QVFAWFIPKSQFIC-GOSISDBHSA-N 312.457 4.633 30 20 DJED C/C=C\c1ccc(Oc2nc(C#N)c(Cl)s2)c(OC)c1 1184516668 XUGVGEIAKIOQDB-ARJAWSKDSA-N 306.774 4.502 30 20 DJED CCCCn1c(SCCc2ccc(C#N)cc2)nc(C)c1C 1188583261 PUDXNQHVCKSJJD-UHFFFAOYSA-N 313.470 4.507 30 20 DJED Cc1ccc(Oc2cccc(NC(=O)N[C@@H](C)CC#N)c2)c(C)c1 1208383401 HSEPGNJWOABNBR-HNNXBMFYSA-N 323.396 4.519 30 20 DJED CC(C)C[C@@H](C)OC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 1208622607 JBNIWGLJHKKJRV-MRXNPFEDSA-N 316.445 4.587 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)c1ccc2ncccc2c1 1275726643 QYRUWTDDMFABOE-UHFFFAOYSA-N 323.355 4.512 30 20 DJED CC(C)c1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 1308441871 QNAFXEBNDKOMKL-NRFANRHFSA-N 304.437 4.849 30 20 DJED C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CC1(C#N)CCCCC1 1352380075 BMVZZMBZPSTASD-QGZVFWFLSA-N 324.468 4.678 30 20 DJED CCCc1ccc(CCCC(=O)Nc2ccc(C#N)c(F)c2)cc1 1436590069 VTNBXVQRIFPPBL-UHFFFAOYSA-N 324.399 4.611 30 20 DJED CN(CCc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1c1ccccc1 1460247475 NGVCIAUHBWZBRH-YADHBBJMSA-N 318.464 4.759 30 20 DJED Cc1cc(CNc2cccc(C#N)c2C)ccc1C(F)(F)F 1474164681 XTDLBXLVDBPYLN-UHFFFAOYSA-N 304.315 4.806 30 20 DJED C[C@H](OC(=O)c1ccc2sccc2c1)c1cccc(C#N)c1 1534850247 WSPZJRDMAKEVPB-LBPRGKRZSA-N 307.374 4.691 30 20 DJED CC(C)c1nc(N[C@H](C)c2ccc(C#N)cc2)cc(C(C)(C)C)n1 1559082116 AVIDEOFZDOMFEG-CQSZACIVSA-N 322.456 4.942 30 20 DJED C[C@H](CC(C)(C)C#N)N[C@H](C)c1ccc(OC(F)(F)F)cc1 1560805511 HWVPAAJPRSAAPV-VXGBXAGGSA-N 314.351 4.564 30 20 DJED CC(C)CC[C@@H](Nc1cc(C#N)cnn1)c1ccc(Cl)cc1 1654998179 SZALTOGFDPEQNO-MRXNPFEDSA-N 314.820 4.591 30 20 DJED CCCCCC(=NNc1ccc(C(=O)O)cc1)c1ccccc1 1776011969 IULWGXJAJHLNSD-UHFFFAOYSA-N 310.397 4.781 30 20 DJED CC(C)=CCC/C(C)=C\C=NNc1ccc(C(=O)O)c(F)c1 1776073091 BVOGEAKYFHUFMJ-YGOMXXSGSA-N 304.365 4.614 30 20 DJED C=CCc1ccccc1CNc1ccc(C[C@H](CC)C(=O)O)cc1 1776188655 KHWILFCWCSDCNE-KRWDZBQOSA-N 323.436 4.681 30 20 DJED C=CCN(CC=C)C(=O)c1sc2cc(F)ccc2c1Cl 60617299 ZZOPZLXMWWIADI-UHFFFAOYSA-N 309.793 4.508 30 20 DJED Cc1cccc(NC(=O)[C@@H](C)S[C@@H](C)c2ccc(C#N)cc2)c1 118444688 FKIZJPZBUKZXRQ-LSDHHAIUSA-N 324.449 4.688 30 20 DJED CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2ccccc2C)c1 159631646 HFUAXKSZYBYJPE-WMZOPIPTSA-N 308.425 4.527 30 20 DJED CC(C)N(Cc1cccs1)Cc1ccc(C#N)cc1Cl 162883375 DUOURORCCWFLSL-UHFFFAOYSA-N 304.846 4.684 30 20 DJED Cc1nc(-c2ccccc2)sc1C(=O)/C=C/c1c(C)noc1C 170806997 FJWHONASJCMKEE-MDZDMXLPSA-N 324.405 4.619 30 20 DJED C=CCCCC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 175185088 ZOORAGILZBXXDH-UHFFFAOYSA-N 323.396 4.625 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1cc(F)c(Cl)cc1Cl 178633624 AJSXEUASPROSQM-UHFFFAOYSA-N 323.154 4.565 30 20 DJED C=CCC(C)(C)C(=O)Nc1ccccc1COCc1ccccc1 298566166 NIPAPISGCMDKBE-UHFFFAOYSA-N 323.436 4.944 30 20 DJED Cc1ccc(Nc2cc(Br)c(C#N)cc2F)cc1C 311485019 LWVJKVMXDAYOSZ-UHFFFAOYSA-N 319.177 4.820 30 20 DJED Cc1noc(C(C)C)c1/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@H]2C1 329063186 ZTEFGPYJKNLUOT-SOUVJXGZSA-N 304.434 4.770 30 20 DJED Cc1cc(C)c(N/C(O)=N/[C@H](C)c2ccc(Cl)s2)c(C)n1 331319317 KFVVXUBYEKCAQS-SNVBAGLBSA-N 323.849 4.809 30 20 DJED C[C@H](CCc1ccco1)N[C@@H]1CCCCc2cc(C#N)ccc21 360821647 MJSAXXPDZYZFAR-FOIQADDNSA-N 308.425 4.530 30 20 DJED CCCC[C@@H](C)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 409994484 SUZXMLMRWUPQHZ-MFKMUULPSA-N 313.228 4.501 30 20 DJED C=C[C@@H](CC(=O)N[C@H]1C[C@H](c2ccccc2F)C1)c1ccccc1 437413317 QRGYFKDMRAIOKG-SZMVWBNQSA-N 323.411 4.548 30 20 DJED C=CC[C@@H]1N(C(=O)[C@@H](CC)CC(F)(F)F)CCCC1(C)C 451215586 JAHPRPDJEBNEQF-STQMWFEESA-N 305.384 4.558 30 20 DJED Cc1nc(N2CC[C@@H]2c2ccc(Cl)cc2)c(Cl)cc1C#N 461891933 YGIIUHOOCKFQCM-OAHLLOKOSA-N 318.207 4.520 30 20 DJED C=CCCCC(=O)N(C)[C@@H](c1ccc(Cl)cc1)C(F)(F)F 469077609 QMFSMOGKWSAYAS-AWEZNQCLSA-N 319.754 4.758 30 20 DJED CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 476372838 JHONGCFYEJPIKA-CRAIPNDOSA-N 312.457 4.529 30 20 DJED C=C(C)CN(C)C(=O)Nc1cccc(COC(C)(C)CC)c1C 477611283 IZHSUPLTUUYOFV-UHFFFAOYSA-N 318.461 4.740 30 20 DJED CC[C@H](C)CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 480143887 DLICEEPIUDQOEM-HNNXBMFYSA-N 322.408 4.512 30 20 DJED C=CCC(C)(C)C(=O)NC1CCC(c2ccc(F)cc2)CC1 498892715 PUFWDEWCHKJXOR-UHFFFAOYSA-N 303.421 4.570 30 20 DJED CCc1c(C)sc(NC(=O)[C@H](C)CC2CCCC2)c1C#N 510838229 WAIQWFUCTCNSAT-LLVKDONJSA-N 304.459 4.646 30 20 DJED CC(C)[C@@H]1CN(C(=O)c2ccc(C#N)c(Cl)c2)c2ccccc21 518642977 QQZZEZBXJLAVGV-INIZCTEOSA-N 324.811 4.612 30 20 DJED CCN(Cc1ccccc1OC(C)C)[C@@H](C)c1ccc(C#N)cc1 519051683 QACZLDOZXXBRKA-KRWDZBQOSA-N 322.452 4.929 30 20 DJED CCCC[C@H](CC)CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 524208309 AEPQVSFMVAGFGL-BBRMVZONSA-N 306.837 4.627 30 20 DJED C=C[C@H](CC(=O)N(C)c1ccc(SC)cc1)c1ccccc1 534686222 FKJAHBABMHNVGK-OAHLLOKOSA-N 311.450 4.731 30 20 DJED N#CC1(CN2CCCC[C@@H]2c2ccccc2C(F)(F)F)CC1 537255252 QFEPWQKKWZGRIY-OAHLLOKOSA-N 308.347 4.536 30 20 DJED CC(C)(C#N)CCCN[C@H](c1ccc(F)cc1F)C(C)(C)C 539327529 ZKQGUGJOEKRNBO-MRXNPFEDSA-N 308.416 4.972 30 20 DJED Cc1ccccc1[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)C1CC1 539608627 VMISFAKDQKJACR-JLTOFOAXSA-N 308.400 4.808 30 20 DJED CC(C)CCOc1ccccc1CN[C@@H](C)c1cccc(C#N)c1 539666959 UZCYLYHJFYXWPB-KRWDZBQOSA-N 322.452 4.834 30 20 DJED CCC[C@H]1CCCCN1Cc1cccc(OCCCC#N)c1 541784716 GTBNVUBYEYEAAD-SFHVURJKSA-N 300.446 4.524 30 20 DJED CC(C)c1nc(CSCc2ccc(CC#N)cc2)cs1 543149752 GEQAYCWVDNYTBC-UHFFFAOYSA-N 302.468 4.766 30 20 DJED CC(C)[C@@H](CC(=O)Nc1ccccc1CC#N)c1ccccc1 555526496 DLHGCLXYIPDEHA-GOSISDBHSA-N 306.409 4.521 30 20 DJED CCSCc1cccc(N[C@@H]2CCc3ccc(C#N)cc32)c1 566531993 HODHRWOXYCUYCA-LJQANCHMSA-N 308.450 4.911 30 20 DJED CC[C@H](NCc1cccc(CSC)c1)c1ccc(C#N)cc1 571849950 QSLYPSSNLQBYOZ-IBGZPJMESA-N 310.466 4.662 30 20 DJED CC[C@H](C#N)C(=O)Nc1ccc(SC2CCCCC2)cc1C 593442561 UMRQOJQXFDPJSX-CQSZACIVSA-N 316.470 4.908 30 20 DJED COc1ccc([C@H]2CCCN2CCCCC(C)(C)C#N)cc1F 595751822 HRBCINRHYSUVTC-QGZVFWFLSA-N 318.436 4.691 30 20 DJED N#CC1(CCCSC[C@H]2CCCCC2(F)F)CCOCC1 596397841 XYRYHOWWBHBONS-CQSZACIVSA-N 317.445 4.646 30 20 DJED N#CC[C@H]1CCCN(Cc2ccc(F)c(-c3cccs3)c2)C1 597173548 JXYFEWGBQIOXKU-CQSZACIVSA-N 314.429 4.680 30 20 DJED N#CCC[C@H](NCc1ccsc1C(F)(F)F)c1ccccc1 600143014 VJSMUKQAVZZVHP-AWEZNQCLSA-N 324.371 4.902 30 20 DJED Cc1ccc(-c2cccc(C3(C#N)CCOCC3)c2)c(F)c1F 600849921 OLKCKXMRCNYEFV-UHFFFAOYSA-N 313.347 4.512 30 20 DJED N#Cc1ccnc(S[C@@H](c2ccccc2)c2ccc(F)cc2)c1 610217788 DPGMBINAOULJNC-IBGZPJMESA-N 320.392 4.974 30 20 DJED C[C@H](NCC1CCC(C(F)(F)F)CC1)c1cccc(C#N)c1 611438736 DCWVYFCYGJVAIA-FUJMWEONSA-N 310.363 4.578 30 20 DJED C=CCN(Cc1ccccc1)C(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 642211565 SIOKERBBQNDWRM-LPHOPBHVSA-N 323.436 4.550 30 20 DJED Cc1cc(Cl)cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c1 675644230 ZPSIBBMSGXJVAY-INIZCTEOSA-N 320.779 4.687 30 20 DJED CSc1ccc(C(=O)/C=C\C2=Cc3ccccc3OC2)cc1 726743562 LWWHVFBWPYBNCT-WDZFZDKYSA-N 308.402 4.623 30 20 DJED CC(=NNc1cnc2ccccc2n1)c1oc2ccccc2c1C 727255376 APSGPTVAJXPPNU-UHFFFAOYSA-N 316.364 4.521 30 20 DJED CCCC(=NNc1oc(C(C)(C)C)nc1C#N)C1CCCCC1 727778502 KJUYIFZTHYXENP-UHFFFAOYSA-N 316.449 4.992 30 20 DJED Cc1cccc2c1C/C(=C\c1cnc(-c3ccccc3)s1)C2=O 729151592 UITKJTJGJQCEBV-XNTDXEJSSA-N 317.413 4.941 30 20 DJED O=C(CC1=CCCCC1)N1CCCSC1=Nc1ccccc1 730160255 FUWYKRRBJQDRIM-UHFFFAOYSA-N 314.454 4.530 30 20 DJED Cc1ccccc1C(=NNc1nccc2sccc12)C1CC1 731925645 OMTPIFFKQLRKPC-UHFFFAOYSA-N 307.422 4.831 30 20 DJED O=C1/C(=C\c2ccc(C(F)(F)F)cc2)CCc2c(O)cccc21 742434555 JVLSGFGXTJUTPN-BENRWUELSA-N 318.294 4.624 30 20 DJED C/C(=C\C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)C(C)(C)C 744119959 YMBSRRHOLGEPSP-PMDBQALLSA-N 316.401 4.604 30 20 DJED CCCCC[C@@H](C)CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 744159889 HVWDCZHERHYXCL-UKRRQHHQSA-N 311.429 4.654 30 20 DJED CC(=NNc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1 747060158 KBLYEWPTUYJHCE-UHFFFAOYSA-N 305.337 4.584 30 20 DJED COc1ccc(C)cc1/C=C\C(=O)c1cccc(OC(F)F)c1 747123336 BJFUDCPRIIVLLV-FPLPWBNLSA-N 318.319 4.501 30 20 DJED O=C(/C=C/c1coc(-c2ccccc2)n1)c1ccc(F)cc1F 749885322 ARUGOGVAFSVYQR-VQHVLOKHSA-N 311.287 4.516 30 20 DJED CC[C@@H](C#N)OC(=O)c1sc2cc(Cl)ccc2c1Cl 753414392 WUQJHHUXGNPFSQ-QMMMGPOBSA-N 314.193 4.667 30 20 DJED O=C1/C(=C/c2ccc(Cl)nc2)CCc2ccc(Cl)cc21 761206142 OIUOHHUMUHPOMI-KPKJPENVSA-N 304.176 4.601 30 20 DJED N#Cc1cccc(CNc2ccc3c(c2)OC2(CCCCC2)O3)c1 770513189 VDMOLGYLQDYOQD-UHFFFAOYSA-N 320.392 4.602 30 20 DJED CCSc1ccccc1OC(=O)c1cc(C#N)ccc1Cl 808421433 HCCVYQFLKOUBIA-UHFFFAOYSA-N 317.797 4.543 30 20 DJED O=C1/C(=C/c2ccccc2Cl)CCOc2ccc(F)cc21 913619577 BJZMXKUWJFDYGJ-FMIVXFBMSA-N 302.732 4.528 30 20 DJED CCOc1ccccc1/C=C\C(=O)c1cc2cccc(OC)c2o1 916130381 RYKRYMQFQCVGAU-QXMHVHEDSA-N 322.360 4.736 30 20 DJED CCc1c(C(C)=NNc2ccc(C(=O)O)cc2)oc2ccccc12 916240663 JKTZBLNWBUOTKQ-UHFFFAOYSA-N 322.364 4.530 30 20 DJED Cc1ccc(O)c2c1[C@@H](C)CC2=NNc1ccc2ccccc2n1 1115821275 LNXZTESTIAJYCZ-ZDUSSCGKSA-N 317.392 4.572 30 20 DJED CCNc1ccc(C#N)cc1NC(=O)c1ccc([C@@H](C)CC)cc1 1137525998 QRXCGRMLLHNYJW-AWEZNQCLSA-N 321.424 4.756 30 20 DJED N#Cc1ccc(Oc2cccc(Nc3ncncc3Cl)c2)cc1 1162467272 ZATVWHPVPMYIMQ-UHFFFAOYSA-N 322.755 4.538 30 20 DJED N#Cc1cc(CN2Cc3ccccc3-c3ccccc32)ccc1F 1171631356 KTSFWQHUIREMNC-UHFFFAOYSA-N 314.363 4.885 30 20 DJED CC(C)CC[C@@H]1CCC[C@@H]1NCc1ccc(C#N)c(Cl)c1 1181164392 XNTLIQUDNJPTOQ-YJBOKZPZSA-N 304.865 4.906 30 20 DJED CC(C)(CC#N)CNc1ncnc2sc(-c3ccccc3)cc12 1186672631 CACAHTVVPMFMRF-UHFFFAOYSA-N 322.437 4.710 30 20 DJED N#C[C@H]1CC[C@@H](N[C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)C1 1308830560 YQCQIXINZKLVKG-OXXUSNJHSA-N 302.849 4.648 30 20 DJED CCCC[C@H](C)N(CCCC)C(=O)c1cccc(C#N)c1C 1436423167 CWDNZCRVYWYKMG-HNNXBMFYSA-N 300.446 4.688 30 20 DJED CCn1c(NCc2ccc(C#N)c(C)c2)nc2cc(Cl)ccc21 1474252672 SCFDXEGSOVUPQE-UHFFFAOYSA-N 324.815 4.502 30 20 DJED CCC(C)(C)CC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1526613199 OCZZVJBQRVVODY-UHFFFAOYSA-N 302.418 4.500 30 20 DJED CC[C@@H]1CCCC[C@@H]1C(=O)N(c1cccc(C#N)c1)C1CCC1 1528693732 PRZMEKCEEBYARZ-APWZRJJASA-N 310.441 4.660 30 20 DJED Cc1ccc(NC(=O)c2ccc(C#N)cc2F)c(Cl)c1Cl 1535459706 DXPFBVHVWALOFG-UHFFFAOYSA-N 323.154 4.565 30 20 DJED N#Cc1cccc(OCc2cc(Cl)ccc2OCC2CC2)c1 1559351586 FAFQUFJVDLXIHZ-UHFFFAOYSA-N 313.784 4.579 30 20 DJED CCCCC1CCC(C(=O)N(CCC#N)CCC(C)C)CC1 1565639058 VAPHNDVYWFSZPL-UHFFFAOYSA-N 306.494 4.771 30 20 DJED CC[C@H](Nc1nc(C(C)(C)C)ccc1C#N)c1ccc(OC)cc1 1611737858 JJNNQADONHORDZ-KRWDZBQOSA-N 323.440 4.823 30 20 DJED Cc1cc(Oc2ccc(OC3CCCCC3)cc2)ncc1C#N 1639440776 WECPYTBBDBNPMN-UHFFFAOYSA-N 308.381 4.766 30 20 DJED Cc1cc(Nc2ccc(Nc3ccccc3)cc2)c(C#N)cn1 1651309601 QLVUEJRAIXXBNY-UHFFFAOYSA-N 300.365 4.749 30 20 DJED CC(C)[C@@H](CN(Cc1ccc(C#N)cc1)C1CC1)c1ccccc1 1652012183 RJUSFDSUACRAQO-JOCHJYFZSA-N 318.464 4.962 30 20 DJED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NCc1ccc(Cl)cc1C#N)C2 1654227154 GAEWETPXALKXDZ-ZVZYQTTQSA-N 302.849 4.516 30 20 DJED Cc1cccc([C@H]2CCCCN2CCc2ccc(C#N)cc2)c1C 1657407065 NOFSSWOHTVXEJY-JOCHJYFZSA-N 318.464 4.945 30 20 DJED C[C@@H](Cc1ccccc1Cl)N[C@@H]1CCCc2cc(C#N)ccc21 1659475769 QKMNCWZYPIHRAD-VBKZILBWSA-N 324.855 4.810 30 20 DJED CCCCCCCC[C@H](C)C(=O)Nc1cccc(C(=O)O)c1 1776786092 JZSVGPFHEWUOCR-AWEZNQCLSA-N 305.418 4.710 30 20 DJED Cc1cc(/C=C2\CSc3ccc(F)cc3C2=O)cc(C)c1O 7713590 FVMCAJHIOSWQHH-NTUHNPAUSA-N 314.381 4.520 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)CC1CCCCC1 66801865 ZAAPBBIPPJITDQ-CQSZACIVSA-N 316.470 4.990 30 20 DJED C#CCCCCC(=O)N(C1CC1)[C@H](C)c1ccccc1Cl 119679507 GZGOXNBYLODWQN-CQSZACIVSA-N 303.833 4.586 30 20 DJED C#CCCCCC(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 120218788 ITIQAZKRYINOAM-OAQYLSRUSA-N 317.432 4.506 30 20 DJED CC[C@H](C#N)Sc1nnc(-c2ccc(F)cc2)c2ccccc12 126966381 VHJFKPSSBLNXSS-CQSZACIVSA-N 323.396 4.830 30 20 DJED N#CC1(c2nc(-c3c(Cl)cccc3Cl)no2)CCCCC1 177720776 XENRWLVDYUEOQP-UHFFFAOYSA-N 322.195 4.769 30 20 DJED O=C1/C(=C\c2csc(-c3ccc(F)cc3)n2)Cc2ccccc21 212103596 KZMRJEHOUYDXAX-UVTDQMKNSA-N 321.376 4.772 30 20 DJED C#CCCCCC(=O)N1CCC[C@H]1c1cccc2ccccc12 271376787 PSEIFIAPKCVWOL-FQEVSTJZSA-N 305.421 4.697 30 20 DJED O/C(=N/[C@H]1CCOC2(CCCCC2)C1)Nc1ccc(Cl)cc1 330188318 ULNNVAFZFGKAJI-HNNXBMFYSA-N 322.836 4.548 30 20 DJED Cc1cc(C)c(N=C(O)c2ccc3c(c2)C(C)(C)C(O)=N3)c(C)n1 330317384 QJPMOVINWFEJGT-UHFFFAOYSA-N 323.396 4.522 30 20 DJED CC(C)(C)CN(CCC#N)Cc1cscc1C(F)(F)F 356211816 GSTCBWAHLXMSKJ-UHFFFAOYSA-N 304.381 4.529 30 20 DJED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1oc2ccccc2c1C 426368001 ZURQETJGSPEYQZ-LSDHHAIUSA-N 312.413 4.552 30 20 DJED N#C[C@@H]1CC[C@H](N[C@H]2CCc3ccc(-c4ccccc4)cc32)C1 427864792 FZMHTGCCBFUIJN-JJXUHFIVSA-N 302.421 4.623 30 20 DJED C=CCC[C@H](NC(=O)[C@@H](C)c1cccc(OC)c1)c1ccccc1 435272880 UGSCJMLBDZVAGJ-JXFKEZNVSA-N 323.436 4.622 30 20 DJED Cc1ccsc1CCCC(=O)Nc1ccc(C#N)c(Cl)c1 439857738 XOLKSGWWMIVGLU-UHFFFAOYSA-N 318.829 4.543 30 20 DJED CC[C@@H](Nc1ccc(F)cc1OC(F)F)c1ccc(C#N)cc1 447590363 CBIICRJVESWBJS-CQSZACIVSA-N 320.314 4.862 30 20 DJED C=CCCC1(C(=O)N2Cc3ccccc3-c3ccccc3C2)CC1 475531371 NARBMBFTHMVJFS-UHFFFAOYSA-N 317.432 4.942 30 20 DJED CC[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 476193253 DVQZLBZBXBMYNX-MDNKFWRPSA-N 324.468 4.501 30 20 DJED Cc1ccc(C#N)cc1NCc1cnc(-c2cccs2)s1 501007888 ZIVONLOUDBKFGY-UHFFFAOYSA-N 311.435 4.664 30 20 DJED N#Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2Cl)o1 510122425 WUWMQHUNDKILPX-UHFFFAOYSA-N 322.751 4.724 30 20 DJED C=C1CCN(C(=O)c2ccc(-c3ccc(C)c(C)c3)cc2F)CC1 521726278 LPNAERNFFGRBQD-UHFFFAOYSA-N 323.411 4.902 30 20 DJED CCC[C@@H](C)CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 522145455 WODYUXPPFJCVEV-NEPJUHHUSA-N 304.459 4.509 30 20 DJED Cc1nc(COc2ccc(Oc3ccc(C#N)cc3)cc2)cs1 531362658 WHWMNOXGUZVBDZ-UHFFFAOYSA-N 322.389 4.695 30 20 DJED CC(C)(C)[C@H](NCc1ccc(CC#N)cc1)c1cccc(F)c1 544118383 ZRUHSLNJRIKTAE-LJQANCHMSA-N 310.416 4.769 30 20 DJED C=CCCO[C@@H](C)c1nc(CSc2cc(C)ccc2C)no1 546229565 LCFYKHGYTMHAAA-AWEZNQCLSA-N 318.442 4.632 30 20 DJED N#Cc1ccc2c(c1)[C@H](N[C@H]1CC[C@@H](c3ccc(F)cc3)C1)CC2 583842477 VLFQJXXGXDCDMK-SLYNCCJLSA-N 320.411 4.611 30 20 DJED C=CCSc1nnc(-c2ccccc2)n1[C@H](C)c1ccccc1 614090339 BKIWDJZKQJCQGP-OAHLLOKOSA-N 321.449 4.833 30 20 DJED N#CC[C@@H](CC(=O)N1CCC(C2CCCC2)CC1)c1ccccc1 619437866 XRGZBJHAECEJCA-FQEVSTJZSA-N 324.468 4.503 30 20 DJED C=CC[C@H]1CCCC[C@H]1N[C@@H]1CCO[C@@H](c2cccs2)C1 658031639 LSGYAQDGLBLYSG-YLFCFFPRSA-N 305.487 4.693 30 20 DJED C=CCC[C@@H](NC[C@H]1CCN(c2ccc(Cl)cc2)C1)C1CC1 676639693 SUKIXGCDJSZVEN-DNVCBOLYSA-N 318.892 4.501 30 20 DJED CC(C)n1cc(C=NN(Cc2ccccc2)c2ccccc2)cn1 732710988 WCIQDUUIWLISDK-UHFFFAOYSA-N 318.424 4.505 30 20 DJED CCC(=NNc1ncnc2sccc12)c1ccc(Cl)s1 733202126 WMFWSJRHOIGUNB-UHFFFAOYSA-N 322.846 4.632 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)[C@@H](C#N)c1nc(C)cs1 734079497 RBRZBGKEZVQAIA-HUUCEWRRSA-N 304.459 4.624 30 20 DJED COCc1cccc(/C=C2\CCc3cc(SC)ccc3C2=O)c1 742434082 DKCUKJSYOUPJAT-GZTJUZNOSA-N 324.445 4.767 30 20 DJED Cc1cccc(NC(=S)N[C@@H](CCC#N)c2ccccc2)c1C 747711149 XZNCDJNNYTWKHW-SFHVURJKSA-N 323.465 4.635 30 20 DJED CCOc1cc(N[C@@H](CC)c2ccc(C#N)cc2)ccc1OC 774280138 DQDVBGHMILETPD-KRWDZBQOSA-N 310.397 4.529 30 20 DJED Cc1ccc(CCC=NNc2nc(-c3ccccc3)cs2)cn1 774347238 GBXBJOZYKOGNDB-UHFFFAOYSA-N 322.437 4.544 30 20 DJED N#CCCSc1ccccc1NCc1ccc(CF)cc1 777541205 NYOZKEVCINQOOO-UHFFFAOYSA-N 300.402 4.774 30 20 DJED Clc1cc(Cl)cc(NN=Cc2scnc2C2CC2)c1 782284298 AXHIMRMMDPOLRA-UHFFFAOYSA-N 312.225 4.773 30 20 DJED CCOc1c(Cl)cccc1/C=C/C(=O)c1cccc(C#N)c1 782330673 RQYLTVNSNYHIFP-MDZDMXLPSA-N 311.768 4.506 30 20 DJED CCCCCCCCCCCC(=O)N1CCc2ncsc2C1 782926840 MHWUBWCDKCGONV-UHFFFAOYSA-N 322.518 4.949 30 20 DJED COc1cc(C)c([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1C 787026658 NGDSEQRAINKODI-FOIQADDNSA-N 320.436 4.522 30 20 DJED CC(C)n1nccc1/C=C1/Cc2cc(Cl)cc(Cl)c2C1=O 794941236 LKUVEZWTKWXUBU-XFFZJAGNSA-N 321.207 4.593 30 20 DJED CCCc1ccc(OC(=O)C[C@H](CC#N)c2ccccc2)cc1 796752001 FOFZNFZSPMOGOO-SFHVURJKSA-N 307.393 4.632 30 20 DJED Cc1ccc(C)c2c1CC/C(=C\c1cn(C(C)C)nc1C)C2=O 798370872 ZVLRAFQSLJYBJS-MHWRWJLKSA-N 308.425 4.602 30 20 DJED C[C@H]1/C(=C/c2ccc(OC(F)F)cc2)C(=O)c2ccccc21 809159824 XKQBQYYYBYENFN-FFCYNSPCSA-N 300.304 4.671 30 20 DJED N#C[C@@H](C(=O)CCC1CCCCCC1)c1nc2ccccc2o1 847629183 VIFFZHMJXCZITI-HNNXBMFYSA-N 310.397 4.755 30 20 DJED C#CC[C@@H](NCc1ccsc1C(F)(F)F)c1ccccc1 862291294 MZJKLUJUVAVKFZ-CQSZACIVSA-N 309.356 4.621 30 20 DJED CCCCCCCC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C 914757593 VOUDHFNNTUKJBA-GOSISDBHSA-N 315.461 4.737 30 20 DJED Cc1cc(/C=C\C(=O)c2ccccc2F)cc(C)c1OC(F)F 916135745 NRJBIVILKFCJKG-FPLPWBNLSA-N 320.310 4.940 30 20 DJED CC(CCc1ccc(O)cc1)=NNc1ncc(Cl)cc1Cl 916317340 KAQDVSFMMVJEDE-UHFFFAOYSA-N 324.211 4.515 30 20 DJED CC(C)CC(=NNc1ncnc2sccc12)c1cccs1 917543916 SLLQRNDAYGSYGN-UHFFFAOYSA-N 316.455 4.615 30 20 DJED Fc1cc(F)cc(NN=Cc2cccc(Cl)c2Cl)c1 920376707 OKLXBACFLGLDCS-UHFFFAOYSA-N 301.123 4.718 30 20 DJED C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(C(C)(C)O)cc1 925602575 WKLUBYGJGJPTGQ-OXJNMPFZSA-N 322.452 4.610 30 20 DJED N#Cc1cccc(Oc2ccc(Nc3cncc(Cl)n3)cc2)c1 1306965132 RYGSFUKRZRJARX-UHFFFAOYSA-N 322.755 4.538 30 20 DJED N#Cc1cccc(CN(CCc2ccccc2F)C2CCCC2)c1 1307438104 GSRYPCLQDFNDBH-UHFFFAOYSA-N 322.427 4.685 30 20 DJED Cc1cc(NC(=O)N(CCC#N)CCC(C)C)cc(C)c1Cl 1310624968 RMCCQOBGMVFJMX-UHFFFAOYSA-N 321.852 4.751 30 20 DJED O=C(/C=C\c1ccc(N2CCCC2)cc1)c1ccccc1Cl 1318435406 OIXVSNGVWLBPIY-XFXZXTDPSA-N 311.812 4.836 30 20 DJED CC(C)c1ocnc1CON=Cc1ccc(C(C)(C)C)cc1 1319977132 MFQYNBDTWWRMJH-UHFFFAOYSA-N 300.402 4.646 30 20 DJED C=CCn1cnnc1S[C@H](C)c1ccc(Cl)c(Cl)c1 1323675318 OQNXIXSMRRHJRD-SECBINFHSA-N 314.241 4.624 30 20 DJED N#Cc1cc(C(=O)O[C@@H]2CC[C@H]3CCCC[C@@H]3C2)ccc1Cl 1350148504 AZOTYNMXHZDZLK-XJKCOSOUSA-N 317.816 4.727 30 20 DJED CC(C)(C)C1CCC(CNc2c(C#N)nnc3ccccc23)CC1 1458242151 ICHGSNCOTRTNDB-UHFFFAOYSA-N 322.456 4.766 30 20 DJED Cc1cc(SCC[C@H](C)OCc2ccccc2)ccc1C#N 1459140995 IZKOUDUSKZOUFA-INIZCTEOSA-N 311.450 4.954 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@@]1(C)Cc1cccc(F)c1 1473576116 RVFYHLXKECNBOZ-NRFANRHFSA-N 322.427 4.603 30 20 DJED CC(C)Cc1cccc([C@H](C)C(=O)O[C@H]2CCC[C@H](C#N)C2)c1 1525049768 YEJQMEGHYVPCJY-IEZWGBDMSA-N 313.441 4.614 30 20 DJED N#Cc1cccc(Oc2ccnc(NCC3CCCCCC3)n2)c1 1559190506 SWKUHJMHRPDZHA-UHFFFAOYSA-N 322.412 4.523 30 20 DJED CCOc1cccc([C@@H](C)NCCC2(C#N)CCCCC2)c1 1559692921 UPUZVJYRSUCUOC-MRXNPFEDSA-N 300.446 4.600 30 20 DJED C[C@@H](CC#N)N(C)C/C=C/c1ccc(OCc2ccccc2)cc1 1560657226 GHLJIJWBEOUUFQ-YOCVDRLZSA-N 320.436 4.513 30 20 DJED C[C@H](N[C@H](C)CCC#N)c1ccccc1OCc1ccccc1 1616914278 GLBSSHSDNWIDKE-SJORKVTESA-N 308.425 4.608 30 20 DJED Cc1ccccc1[C@@H](Nc1nccnc1C#N)C1CCC(C)CC1 1640112077 KZUWZOQPAIHNLC-KJXMEXGPSA-N 320.440 4.636 30 20 DJED CCc1ccc([C@H]2CCN([C@@H](C)c3ccc(C#N)cc3)C2)cc1 1643247004 SUVYRCFQEPEPLN-KKSFZXQISA-N 304.437 4.671 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@]1(C)Cc1ccccc1F 1646391327 HMMLJAURDFJENB-OAQYLSRUSA-N 322.427 4.603 30 20 DJED Cc1ccc([C@H]2CCCCN2Cc2cccc(F)c2C#N)cc1 1651994862 XVSSSWVKCITDER-HXUWFJFHSA-N 308.400 4.733 30 20 DJED Cc1ccc([C@@H]2CCC[C@H]2N(C)Cc2ccc(C#N)s2)cc1 1652575663 QJQJAEFWEOTPLJ-RBUKOAKNSA-N 310.466 4.696 30 20 DJED C[C@H](N[C@H](C)Cc1ccc2c(c1)CCCC2)c1cccc(C#N)c1 1660695289 IACAHNYXWJDZNH-SJORKVTESA-N 318.464 4.719 30 20 DJED Cc1cnccc1CNc1ccc(Oc2ccccc2)c(C#N)c1 1662610809 YNCPVVYNOIDHHG-UHFFFAOYSA-N 315.376 4.666 30 20 DJED C=C1CCN(C(=O)Cc2coc3cc(C)c(C(C)C)cc23)CC1 111033267 GPCLFCZLAQPLLY-UHFFFAOYSA-N 311.425 4.586 30 20 DJED N#Cc1csc(CNc2cccc(N3CCCCCC3)c2)c1 151497848 NAMFMUQTEAUZIJ-UHFFFAOYSA-N 311.454 4.612 30 20 DJED CC(C)(CC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccccc1 153636586 FNSMRCYFYNMVCS-IBGZPJMESA-N 320.436 4.516 30 20 DJED C[C@@H](c1cccs1)N(C)Cc1cccc(OCCCC#N)c1 157816951 PEULBEWORJQTFI-HNNXBMFYSA-N 314.454 4.624 30 20 DJED C[C@@H](NCc1ccc(C(C)(C)C)cc1)c1ccc(OCC#N)cc1 171768840 FVRVFLCKMCNSRV-MRXNPFEDSA-N 322.452 4.737 30 20 DJED COc1ccc2cc(C(=O)/C=C/c3cnn(C(C)C)c3)ccc2c1 171981071 KFERRXGRBIASSM-RUDMXATFSA-N 320.392 4.522 30 20 DJED CC(C)c1ccccc1NC(=O)[C@@H](C)Sc1ccccc1C#N 172679515 DQLGIMMZILLEKJ-CQSZACIVSA-N 324.449 4.801 30 20 DJED CSc1ccc(C(=O)/C=C/c2cnn(C(C)C)c2)c(Cl)c1 179574326 PMOYAUUVBLVXBQ-QPJJXVBHSA-N 320.845 4.735 30 20 DJED N#CCC[C@@H](N[C@H]1CCc2c(F)ccc(F)c21)c1ccccc1 271477723 IGULEXKBQDKBKV-MSOLQXFVSA-N 312.363 4.587 30 20 DJED CC[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(F)cc1O 286026569 JADBWNNUJISOLC-ZWKOTPCHSA-N 312.388 4.617 30 20 DJED COc1ccc(C(=O)/C=C/c2cccc(OC(C)C)c2)c(F)c1 302951857 DFFSQOLLDRSJLO-JXMROGBWSA-N 314.356 4.518 30 20 DJED C[C@@H]1C(=O)CC[C@@H](C(O)=Nc2nc(C(C)(C)C)cs2)C1(C)C 329824371 BLPQUBQOYZQEGP-MNOVXSKESA-N 322.474 4.670 30 20 DJED CC(C)(C/C(O)=N/[C@@H]1CCCc2c[nH]nc21)C1CCCCC1 330032024 UKJQXJRFCPTLQW-OAHLLOKOSA-N 303.450 4.740 30 20 DJED Cc1cc(C)c2cc(CN[C@@H](CCC#N)c3ccccc3)[nH]c2c1 359002715 MKIFECJBNWAJLA-FQEVSTJZSA-N 317.436 4.919 30 20 DJED C=CCC[C@H](N[C@H]1CCCc2cnn(C(C)C)c21)c1ccco1 367597179 REDBRIABWNUWFO-IRXDYDNUSA-N 313.445 4.732 30 20 DJED COc1cc(C#N)cc(Cl)c1OCc1ccc2ccccc2c1 409416454 FLGDVSDZBJIWSX-UHFFFAOYSA-N 323.779 4.952 30 20 DJED N#CCCSCc1csc(COc2ccc(Cl)cc2)n1 413015732 UKFSNCXLGDRYJE-UHFFFAOYSA-N 324.858 4.522 30 20 DJED C=C(C)C(C)(C)C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 424705605 JNKRJYJIYVWKRJ-UHFFFAOYSA-N 303.833 4.558 30 20 DJED C=CCC1(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CCCCC1 425634174 GGYFVRBPRPMIFF-INIZCTEOSA-N 310.441 4.604 30 20 DJED C=CCC[C@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 435298099 KONDSWAZMBDTPC-IBGZPJMESA-N 304.393 4.605 30 20 DJED N#C[C@@H]1CC[C@@H](NCC2(c3c(Cl)cccc3Cl)CCC2)C1 442866199 VXRQLTROMMGDSF-CHWSQXEVSA-N 323.267 4.697 30 20 DJED CC1(C#N)CCC(N[C@H]2CC[C@H](c3ccccc3F)C2)CC1 449298410 HPNXBDTXORDUBN-QCTRZYONSA-N 300.421 4.524 30 20 DJED CN(Cc1ccc(F)c(C#N)c1)Cc1csc2ccccc12 468265321 DKVVDWFDORKFRJ-UHFFFAOYSA-N 310.397 4.544 30 20 DJED C=CCCCCNC(=O)Nc1cccc(-c2nc(C)cs2)c1 473670092 IMJDTFQKTVDLSK-UHFFFAOYSA-N 315.442 4.596 30 20 DJED Cc1ccc([C@H](C)N(C)C(=O)c2ccc(C(C)(C)C#N)cc2)cc1 474707971 PUBVXIPAHCXZSN-INIZCTEOSA-N 320.436 4.629 30 20 DJED C=CCCC1(C(=O)Nc2cccc(-c3nc(C)cs3)c2)CC1 475523209 QTBUHIHQUNZMFD-UHFFFAOYSA-N 312.438 4.803 30 20 DJED Cc1ccc([C@@H](Nc2ccc(C#N)cc2F)c2ccccn2)cc1 480575747 JYKRLIFIEYLBOG-HXUWFJFHSA-N 317.367 4.602 30 20 DJED N#CC1(CCCOc2ccc(-c3ccccc3)cc2)CCOCC1 499907230 ORPJOPZWBKQOTM-UHFFFAOYSA-N 321.420 4.833 30 20 DJED CCC(CC)[C@@H](NC(=O)c1cccc(C#N)c1)c1cccs1 515742522 DPSWSCQBRCFREF-QGZVFWFLSA-N 312.438 4.527 30 20 DJED CCN(C(=O)[C@@H]1CCC(C)=C(C)C1)[C@H](C)c1ccc(C#N)cc1 521437707 BUHFLNFTFNPPHK-VQIMIIECSA-N 310.441 4.604 30 20 DJED C[C@H](Nc1cccc(OCCCC#N)c1)[C@@H](C)c1ccccc1 539627636 BRLXNWXUDLAJDB-SJORKVTESA-N 308.425 4.973 30 20 DJED Cc1c(Cl)cc(F)c(NCc2ccc(CC#N)cc2)c1F 542222022 UHNXCJAHCTXJRI-UHFFFAOYSA-N 306.743 4.605 30 20 DJED C=CCCO[C@@H](C)c1nc([C@H](c2ccccc2C)C(C)C)no1 554848495 ZNYZFXZCFUUBKT-RDJZCZTQSA-N 314.429 4.820 30 20 DJED CCCCCOc1ccc(C(=O)Nc2ccccc2CC#N)cc1 555515974 WJDONJHIVFAARF-UHFFFAOYSA-N 322.408 4.574 30 20 DJED CCC[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 604360703 BIPRQFOBECSDRE-CQSZACIVSA-N 323.396 4.661 30 20 DJED C=CCN(CC1CCCCC1)C(=O)[C@H](C)c1ccc(F)c(F)c1 607827591 IDOXHCWSZULXJN-CQSZACIVSA-N 321.411 4.663 30 20 DJED Cc1ccccc1[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)C1CC1 611392691 DPZJEPDAHSYAAV-VXKWHMMOSA-N 316.448 4.985 30 20 DJED C=C[C@H](CC(=O)N1CCc2cc(F)ccc2[C@H]1C)c1ccccc1 677553816 HXRZYIRZFVNKQA-HZPDHXFCSA-N 323.411 4.631 30 20 DJED CCC(=NNc1ccc(OC(F)F)cc1)c1ccc(OC)cc1 726429046 ISPKUPOYACNLJO-UHFFFAOYSA-N 320.339 4.523 30 20 DJED N#Cc1cccc(/C=C\C(=O)c2cccc(Cl)c2Cl)c1 734979867 FJFAFUGBQIFJRI-FPLPWBNLSA-N 302.160 4.761 30 20 DJED CC(C)=C[C@@H]1[C@@H](C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)C1(C)C 747196196 IXBLDMFSCHKGES-NFAWXSAZSA-N 316.470 4.681 30 20 DJED C#CCCCCC(=O)NC(c1ccccc1C)c1ccccc1C 760992788 DVIOLUIRAYNUPE-UHFFFAOYSA-N 319.448 4.703 30 20 DJED C#CCCCCCC(=O)N1CCCCC[C@H]1c1ccc(C)o1 779959522 QXWRNYDXWLYOCJ-KRWDZBQOSA-N 301.430 4.615 30 20 DJED FC(F)(F)c1ccc(CNN=Cc2ccsc2Cl)cc1 790157130 JWXJJIQIHDGLII-UHFFFAOYSA-N 318.751 4.544 30 20 DJED COc1cc(-c2ccccc2)ccc1/C=C/C(=O)c1cc(C)on1 806556122 NEKDYIRQQSWWLH-ZHACJKMWSA-N 319.360 4.555 30 20 DJED Cc1ccccc1[C@H](NCc1ccc(C#N)cc1)C1CCCC1 813854756 DXHJCRVOCVYPLC-OAQYLSRUSA-N 304.437 4.888 30 20 DJED CCCCCCC[C@@H](C)N[C@@H]1CCO[C@@H](c2ccccn2)C1 825091390 ZAYMNPWANKQDAI-ZHALLVOQSA-N 304.478 4.640 30 20 DJED O=C(/C=C/c1ccc(Cl)s1)c1ccccc1OC(F)F 834706136 QTIYWLWJDDHWCY-FNORWQNLSA-N 314.740 4.899 30 20 DJED C=CCCCSCc1ccc(N2CCC(OC)CC2)cc1 842175948 YXVGIXJNFWRKSH-UHFFFAOYSA-N 305.487 4.501 30 20 DJED FC(F)(F)[C@@H]1CCC[C@H](C=NNc2ccc(Cl)cn2)C1 853435960 VGZZTGGMMZYJIZ-VHSXEESVSA-N 305.731 4.501 30 20 DJED CCc1ccccc1NN=Cc1ccc(CSC(F)F)o1 915051655 LRWWWPFQSFHYDN-UHFFFAOYSA-N 310.369 4.744 30 20 DJED C=CCN(C(=O)N[C@@H](c1ccccc1)C1CCCCC1)C(C)C 918074812 DUPBKZJJTACFCZ-IBGZPJMESA-N 314.473 4.914 30 20 DJED COc1ccc(O)c(/C=N\[C@@H](C)c2ccccc2C(F)(F)F)c1 920178826 XLVFAKQXZOHUSG-GVHCZZSVSA-N 323.314 4.600 30 20 DJED C=CCCO[C@H](C)C(=O)Oc1cc(C)c(Cl)cc1C(C)C 921149056 LURIYYXZJYUFOH-CYBMUJFWSA-N 310.821 4.658 30 20 DJED COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(O)c(Cl)c1 921265331 DNDAAEGPKBCWGD-GORDUTHDSA-N 323.175 4.604 30 20 DJED CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)CC1 1128211498 QODKMEFNZAIWIR-CJNGLKHVSA-N 318.848 4.546 30 20 DJED C[C@H](CC(C)(C)C)NC(=O)c1ccccc1-c1ccccc1C#N 1275117120 VTTZQDMDUAVPAN-OAHLLOKOSA-N 320.436 4.780 30 20 DJED CCC[C@H](C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 1275465182 UATYEMXBBBEGFM-XKQJLSEDSA-N 319.832 4.849 30 20 DJED C[C@@H]1CC[C@@H](C(=O)N(c2ccccc2C#N)C2CCC2)C[C@H]1C 1279123032 VOINQCLJUIPRMP-BZUAXINKSA-N 310.441 4.516 30 20 DJED CCc1ccccc1CCSc1nc2c(c(C)c1C#N)CCC2 1307272061 GWAYXQUJPQNTIB-UHFFFAOYSA-N 322.477 4.648 30 20 DJED C=CC[C@@H](N[C@@H]1CCCc2c1[nH]c1ccccc21)c1ccncc1 1346938053 LWPUBCOQBDKOTP-UYAOXDASSA-N 317.436 4.847 30 20 DJED CC(C)c1nc(C(=O)Nc2cc3ccccc3cc2C#N)cs1 1436723853 IHPOLWUNYARZBR-UHFFFAOYSA-N 321.405 4.544 30 20 DJED Cc1cccc(C2(C(=O)Nc3cccc(CC#N)c3)CCCC2)c1 1460145197 YGXDPWZSWRGXFK-UHFFFAOYSA-N 318.420 4.512 30 20 DJED C[C@@H](CCC#N)CNc1cccc(-c2ccc3c(c2)CCO3)c1 1474436152 XRWJGICXRFRBEE-HNNXBMFYSA-N 306.409 4.640 30 20 DJED CCC(C)(C)c1ccc(COC(=O)c2cc(C#N)oc2C)cc1 1520144331 XSTSLQKPADUICJ-UHFFFAOYSA-N 311.381 4.504 30 20 DJED COc1ccc([C@@H](C)S[C@H](C#N)Cc2ccc(C)cc2)cc1 1559364836 OCFYYYVATMZZRJ-BEFAXECRSA-N 311.450 4.933 30 20 DJED N#Cc1cc2c(nc1SC/C=C\c1ccccc1)CCCC2 1652581381 MXAPJDGGCGWOTH-TWGQIWQCSA-N 306.434 4.638 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 1660053713 PUPSNUXMJVNILO-NEOGFGCTSA-N 308.469 4.884 30 20 DJED C[C@@H](c1ccc(Cl)cc1)[C@@H](C)NCc1ccc(C#N)c(F)c1 1665005289 WEGKVTKYLQIEQV-CHWSQXEVSA-N 316.807 4.633 30 20 DJED COc1ccc(C(=O)/C=C/c2nc(-c3ccccc3)cs2)cc1 60370825 AFXDPSBRVBNVSU-VAWYXSNFSA-N 321.401 4.715 30 20 DJED CCC[C@@H](C(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)C 121739052 QQWHKTQKOMPMLT-LSDHHAIUSA-N 318.486 4.949 30 20 DJED Cc1cc(Cl)cc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c1 126040047 RRGNKPRQQGZOFV-ZDUSSCGKSA-N 318.829 4.718 30 20 DJED C[C@@H](C#N)Oc1ccc(CNc2cccc(C(F)F)c2)cc1 128513926 FZQZYHPXCHWHTO-LBPRGKRZSA-N 302.324 4.527 30 20 DJED Cc1cccc(Oc2ccc(NC(=O)NCCCCC#N)cc2)c1 171360884 UFXBWYQGVZPSEU-UHFFFAOYSA-N 323.396 4.603 30 20 DJED CC(C)[C@H](NCc1ccc(C#N)s1)c1ccccc1Cl 176970406 BBNACTVSFUTUJA-INIZCTEOSA-N 304.846 4.760 30 20 DJED C[C@H](NCc1ccc(F)cc1C#N)c1cccc(C(F)(F)F)c1 181609201 JIDJUNJZGHLENW-NSHDSACASA-N 322.305 4.567 30 20 DJED Cc1ccccc1C(C)(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 194800964 PHQJYFZYVFQRIS-UHFFFAOYSA-N 320.436 4.713 30 20 DJED Cc1ccc(-c2ncc(/C=C\C(=O)c3cncc(F)c3)s2)cc1 255054007 OHHNJERBHNVYLS-SREVYHEPSA-N 324.380 4.549 30 20 DJED Cc1ccccc1[C@@H]1C[C@H](C)N([C@@H](C)c2ccc(C#N)cc2)C1 303753251 MILMOJRTRQJEAH-ABSDTBQOSA-N 304.437 4.806 30 20 DJED N#CC1(/C(O)=N/[C@@H]2CC[C@H](c3cccc(F)c3)C2)CCCCC1 330118341 YJZNWTXWSQGUEN-DOTOQJQBSA-N 314.404 4.892 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCC[C@H](CC(F)(F)F)C1 420947556 MYTAUIXMAPGRTH-CQSZACIVSA-N 324.390 4.652 30 20 DJED N#C[C@H]1CC[C@@H](N[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 424327918 NHSWYEIGSTUNIN-IEAZIUSSSA-N 322.374 4.623 30 20 DJED N#Cc1cc(NCc2csc(C3CCCCC3)n2)ccc1F 444400656 SQZAJMHXXCZMBI-UHFFFAOYSA-N 315.417 4.814 30 20 DJED CC(F)(F)c1cccc(-c2noc(C3(C#N)CCCCC3)n2)c1 453357925 MWBBTOPZFROUGS-UHFFFAOYSA-N 317.339 4.574 30 20 DJED Cc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1ccc(CC#N)cc1)CC3 462067419 YBTGYRDYBMDQJU-KRWDZBQOSA-N 315.420 4.512 30 20 DJED C=CCCN(C)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 466385897 LHXLKQZBIOEADM-UHFFFAOYSA-N 321.380 4.535 30 20 DJED CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc(C(C)(C)C#N)cc2)C1 474896986 MCZRJRLGXIPQEG-LAUBAEHRSA-N 324.468 4.529 30 20 DJED C=CCC1(C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)CCC1 480572515 DKNOZTYCZSYBIP-SFHVURJKSA-N 313.416 4.624 30 20 DJED CC(C)[C@@H](CC(F)(F)F)N[C@H]1CCCCc2cc(C#N)ccc21 481995462 VILOBIDRUFHPRH-DLBZAZTESA-N 324.390 4.892 30 20 DJED C=CCOc1ccc(CN[C@H]2CCCc3cc(F)ccc32)cc1 500244653 RIDGKTUPNWKSAO-FQEVSTJZSA-N 311.400 4.558 30 20 DJED C[C@H](Nc1ncccc1C#N)c1ccccc1Oc1ccccc1 506768927 SODXNDUDHAARQN-HNNXBMFYSA-N 315.376 4.919 30 20 DJED N#Cc1ccc(N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1 507029967 MJVAJSBUVTVLFP-HOCLYGCPSA-N 302.299 4.545 30 20 DJED C[C@@H](CN(C)Cc1cccc(OCCCC#N)c1)c1ccccc1 514100037 SQCZTLUNAXWUST-SFHVURJKSA-N 322.452 4.605 30 20 DJED C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H]2CCCC[C@H]12 527521585 UWEFRYPFUHRTSR-ATZDWAIDSA-N 324.468 4.529 30 20 DJED C[C@H](C(=O)N[C@]1(C#N)CCC[C@@H](C)C1)c1ccc2ccccc2c1 531236953 ITCJAKJWQYOYNH-VWKPWSFCSA-N 320.436 4.532 30 20 DJED C=CCN(Cc1csc(C2CC2)n1)Cc1ccc(Cl)s1 535344548 KHYWMKMSQZFMET-UHFFFAOYSA-N 324.902 4.924 30 20 DJED C=C[C@@H](CC(=O)NC[C@@H](C)c1cccc(C)c1)c1ccccc1 535451756 XXWIOZUYKBTLIL-MSOLQXFVSA-N 307.437 4.575 30 20 DJED C=CCCC(=O)Nc1ncc(Cc2cccc(C)c2Cl)s1 588022264 KUKBIJRYLIITGN-UHFFFAOYSA-N 320.845 4.600 30 20 DJED N#CC1(Cc2nc(-c3ccc(Cl)cc3F)no2)CCCCC1 596603532 VSXKDZRQAFJLBZ-UHFFFAOYSA-N 319.767 4.546 30 20 DJED CCSc1ccc(Cl)cc1NC(=O)c1cccc(C#N)c1 609183305 SWQZBDJMESTKNH-UHFFFAOYSA-N 316.813 4.576 30 20 DJED CC(C)c1nc(CSCc2cc(C#N)ccc2F)cs1 609236516 BBWHBJJNPWJXBL-UHFFFAOYSA-N 306.431 4.711 30 20 DJED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1cnc2ccsc2c1 610830455 VHXKPAIKHWSMOE-OLZOCXBDSA-N 307.422 4.580 30 20 DJED C[C@H](CCC(C)(C)C)C(=O)N(CCC#N)c1ccc(F)cc1 612540428 UWSDTNVQDDUUHS-CQSZACIVSA-N 304.409 4.535 30 20 DJED C[C@@H]1C[C@@H]1[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1 613254303 ADENOEBWAAHXGP-KAEUXLIGSA-N 302.849 4.709 30 20 DJED C=CCCN[C@@H](CC(F)(F)F)c1ccc(Br)cc1 680432349 CTFSUBDBIANGNM-LBPRGKRZSA-N 322.168 4.608 30 20 DJED CCCCCCCSc1nnc(Cc2cccc(F)c2)o1 727655025 YSWCAGSLFAWRJZ-UHFFFAOYSA-N 308.422 4.862 30 20 DJED C=CCN(Cc1cccs1)C(=S)NC[C@@H](CC)CCCC 730594066 KYVMTVLHMWQRDA-HNNXBMFYSA-N 324.559 4.827 30 20 DJED O=C(/C=C\c1ccc(OC(F)F)c(Cl)c1)c1ccc(O)cc1 731488964 XHHFKCSNXQKAKK-XFSBKJJWSA-N 324.710 4.543 30 20 DJED Cc1cc(C)c2c(c1)C(=O)/C(=C/c1nccc3ccccc13)CO2 740765351 XKELQTLXEOOSLS-LFIBNONCSA-N 315.372 4.510 30 20 DJED N#Cc1c(Cl)nsc1N1CCC[C@H]1c1ccc(Cl)cc1 749266434 TZXHKKIXSBUABY-LBPRGKRZSA-N 324.236 4.663 30 20 DJED CC/C(C)=C(/C)C(=O)Nc1sc2c(c1C#N)CCCCC2 779719860 YCBMKGYPCFPVHS-QXMHVHEDSA-N 302.443 4.574 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCSc2c(F)cccc21 787032397 PCMFXDGOQBESOK-QZTJIDSGSA-N 324.424 4.511 30 20 DJED Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1 798369622 LMOJAIPGIPXTBT-FNORWQNLSA-N 323.223 4.975 30 20 DJED C=CCNC(=S)N(C)[C@H](c1ccc(Cl)cc1)C1CCCC1 798374207 HHKVIHGBOMPBNI-INIZCTEOSA-N 322.905 4.564 30 20 DJED CC(/C=C/C(=O)c1ccncc1)=C\c1ccccc1C(F)(F)F 799889226 OCVNCCFYSBRDQR-GYIPPJPDSA-N 317.310 4.943 30 20 DJED N#CCCCCCC(=O)OCCc1cccc(Cl)c1Cl 805698026 ORXLQEBGVNFWSM-UHFFFAOYSA-N 314.212 4.553 30 20 DJED C=CCCCCCCNC(=O)N1CCC[C@@H]1c1cccs1 806003732 WEBHWKFVJNEGMB-OAHLLOKOSA-N 306.475 4.731 30 20 DJED Cc1nn(C)c2sc(C(=O)/C=C\c3cc4ccccc4o3)cc12 806577246 OZBGWOBGFKBLCN-FPLPWBNLSA-N 322.389 4.586 30 20 DJED CC(C)[C@@H](OC(=O)CCCC#N)c1cccc(C(F)(F)F)c1 813079589 OUPPGNNBVHQARS-OAHLLOKOSA-N 313.319 4.640 30 20 DJED C=CCOc1cccc(/C=C/C(=O)c2ccc(Cl)s2)c1 916135642 BORNHUGRZYPVDZ-VOTSOKGWSA-N 304.798 4.862 30 20 DJED COc1cc(OC)c(C(=O)/C=C/c2ccccc2C)cc1Cl 916154633 PQTZOHYZJIFYRI-CMDGGOBGSA-N 316.784 4.562 30 20 DJED C=C(Cl)COC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 916620015 KYDZEEFJVCXRKE-ZROIWOOFSA-N 322.788 4.724 30 20 DJED COc1ccc(C=NN[C@H](C)c2ccccc2)c2ccccc12 920382201 DTKPNCRKIWPRFK-OAHLLOKOSA-N 304.393 4.533 30 20 DJED N#C[C@H]1CCC[C@@H](OC(=O)C2CCC(c3ccccc3)CC2)C1 1129725066 QSLPQTAQTIGGKX-GWFLUQINSA-N 311.425 4.586 30 20 DJED Cc1cc(CN2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)ccc1C#N 1181598167 DIHUHOYDBUWOPR-VSKRKVRLSA-N 316.448 4.635 30 20 DJED Cc1c(C#N)cccc1-c1nc(-c2oc3ccccc3c2C)no1 1261162507 SSPZUFDOXHXRIL-UHFFFAOYSA-N 315.332 4.638 30 20 DJED C[C@@H]1[C@@H](Nc2c(C#N)cnc3c(Cl)cccc23)CCC[C@H]1C 1306915801 NPLARKGFDMEDDH-WQGACYEGSA-N 313.832 4.996 30 20 DJED COc1cc(C#N)ccc1OCc1ccc(-c2ccsc2)cc1 1307242287 GKDBQEXYDFMGEP-UHFFFAOYSA-N 321.401 4.874 30 20 DJED N#Cc1cccc(NC(=O)C2(Cc3cccs3)CCCCC2)c1 1350649435 VXRDWSXATIMNCE-UHFFFAOYSA-N 324.449 4.751 30 20 DJED CCCN(C(=O)c1cc(C#N)ccc1C)[C@@H](CC)c1ccccc1 1353443645 KMPSHGJZXDZJNC-FQEVSTJZSA-N 320.436 4.870 30 20 DJED C[C@H](OC(=O)c1cccc(C2CCC2)c1)c1ccc(C#N)cc1 1354919168 OTFRNUDYTIJYQL-AWEZNQCLSA-N 305.377 4.744 30 20 DJED Cc1cccc([C@@H](C)C(=O)N(c2cccc(C#N)c2)C2CCC2)c1 1437669721 BVSBCFHNCUZVCM-MRXNPFEDSA-N 318.420 4.556 30 20 DJED CC[C@@H](Nc1snc(Cl)c1C#N)c1ccc(C)c(F)c1 1458289407 UWZKYARZQWEYGU-GFCCVEGCSA-N 309.797 4.679 30 20 DJED CCc1ccccc1CCN(CC)[C@H](C)c1ccc(C#N)cc1 1459352631 PGIFDNBZISNOBJ-QGZVFWFLSA-N 306.453 4.746 30 20 DJED CC(C)[C@](C)(Cc1ccc(Cl)cc1)NCCC(C)(C)C#N 1460151990 PUFJHUYGGDRRDU-SFHVURJKSA-N 306.881 4.827 30 20 DJED C=C(CNC(=O)Nc1cc(CC)ccc1CC)c1ccccc1 1476213263 WBDNSDYNWZTPBE-UHFFFAOYSA-N 308.425 4.646 30 20 DJED CC(C)(CC(=O)N1CCCC(C)(C)[C@H]1C#N)C1CCCCC1 1544019698 RMPYBCLEIRVKIP-MRXNPFEDSA-N 304.478 4.524 30 20 DJED CCC[C@H](CC1CCCCC1)C(=O)O[C@@H]1CCC[C@H](C#N)C1 1583559876 YNBYQIBWZKLUDQ-RCCFBDPRSA-N 305.462 4.999 30 20 DJED Cc1cc(F)cc2c1N(Cc1ccccc1C(C)(C)C#N)CCC2 1615976494 ZCZBKVOMVWDPGC-UHFFFAOYSA-N 322.427 4.888 30 20 DJED N#Cc1nnc2ccccc2c1Nc1ccc2c(c1)CCCCC2 1640112511 SDTUACPQNAMWBP-UHFFFAOYSA-N 314.392 4.514 30 20 DJED CN(C)c1cccc(CSc2ccc(Cl)cc2C#N)c1 1643742874 OGDYDKBKNCCNDA-UHFFFAOYSA-N 302.830 4.570 30 20 DJED CN(CCc1ccc(C#N)cc1)C1c2ccccc2-c2ccccc21 1652839308 KECJITCAKUIUEL-UHFFFAOYSA-N 324.427 4.803 30 20 DJED Cc1ccc(CN(Cc2ccc(C#N)cc2C)C2CC2)cc1C 1657389572 JPHWGDDSYXBRPA-UHFFFAOYSA-N 304.437 4.648 30 20 DJED CCOC(=O)Nc1ccc(NCC2CCCCCC2)cc1C#N 1658090314 OWTFFPWQCWUJOA-UHFFFAOYSA-N 315.417 4.509 30 20 DJED C[C@H](N[C@H]1CSC[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 1658829911 KZSHCOLDZWKIEK-AVYPCKFXSA-N 322.477 4.627 30 20 DJED Cc1cc(C)c(C(=O)O)cc1/C=C/C(=O)c1ccccc1Cl 1776115239 RGPXYCLOQOVTDG-BQYQJAHWSA-N 314.768 4.551 30 20 DJED O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1 6337305 VMNMXUBGIXCJHF-FPYGCLRLSA-N 312.237 4.880 30 20 DJED COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1O 7747432 LIRFDRXAIMPZNB-VZUCSPMQSA-N 310.393 4.594 30 20 DJED C=CCCC(=O)O[C@H](C)c1ccc(NC(=O)c2ccccc2)cc1 73289418 SFKKHAVLSZCLSK-OAHLLOKOSA-N 323.392 4.509 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccc(N3CCCCC3)cc2)s1 103223229 PIQISABDIQDKBY-DHZHZOJOSA-N 311.450 4.943 30 20 DJED C[C@H](NCc1cccc(C#N)c1)c1cc(Cl)sc1Cl 151379522 ZBWRAWPMSYKONI-VIFPVBQESA-N 311.237 4.777 30 20 DJED CC(C)c1cccc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)c1 183576678 QXLAMTLFNAEJSS-AWEZNQCLSA-N 323.396 4.745 30 20 DJED N#Cc1ccc(CN[C@H](c2ccc(Cl)cc2)C2CCC2)cc1 237787984 XIFYTHNNYKUEKM-IBGZPJMESA-N 310.828 4.843 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@@H](C)c2cc3ccccc3o2)c1 302093468 IBKWXRYGDYGVRB-LBPRGKRZSA-N 304.349 4.680 30 20 DJED N#Cc1c(Cl)nsc1Oc1ccc(F)c(C(F)(F)F)c1 302678593 RAOJIPHPTIFHOJ-UHFFFAOYSA-N 322.670 4.618 30 20 DJED C[C@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1ccc(C#N)cc1 319831626 NFQLFMCCDJVBDX-HOTGVXAUSA-N 304.437 4.849 30 20 DJED Cc1cc(CNc2ccc(Cl)c(C#N)c2)cc2cccnc12 432429681 QGQDIYLREJQDBV-UHFFFAOYSA-N 307.784 4.680 30 20 DJED CC[C@@H](c1ccc(F)cc1)[S@@](=O)CCCCC(C)(C)C#N 436108139 XJGFLBODQZGZRT-KKSFZXQISA-N 309.450 4.746 30 20 DJED N#C[C@@H]1CC[C@H](Nc2cccc(OCc3cccc(F)c3)c2)C1 442871091 HANHPTYPJJKNCX-KDOFPFPSSA-N 310.372 4.509 30 20 DJED CCOc1cccc([C@H](C)N[C@H](CC)c2ccc(C#N)cc2)c1 447530773 NPPAONGEORHBBA-MGPUTAFESA-N 308.425 4.759 30 20 DJED C=CCNC(=O)c1c(Cl)cccc1Oc1ccccc1Cl 463243679 PTESBWMLEUCVME-UHFFFAOYSA-N 322.191 4.702 30 20 DJED C[C@H](NCCc1cccc(C#N)c1)c1cc2ccccc2s1 467438026 YGMIZVYTOQRTOY-AWEZNQCLSA-N 306.434 4.666 30 20 DJED CCC(CC)N(C(=O)c1cccc(C#N)c1)c1cccc(C)c1 471438171 VVBLNRVFMNQLOA-UHFFFAOYSA-N 306.409 4.702 30 20 DJED C=CCCC1(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 483479533 VAYWIMCLNYMJFH-AWEZNQCLSA-N 314.454 4.623 30 20 DJED N#Cc1cnccc1/C=C/c1cnc(-c2ccc(Cl)cc2)s1 504712329 OKYLDMFJUCUNAX-ZZXKWVIFSA-N 323.808 4.901 30 20 DJED C[C@H]1c2ccccc2CN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 541202428 JKUCGVXFIFOMKD-AWEZNQCLSA-N 319.408 4.596 30 20 DJED CCc1ccc([C@@H](CC)NC2(c3cccc(C#N)c3)CC2)cc1 556605660 DLIQVALZIMXZEZ-HXUWFJFHSA-N 304.437 4.851 30 20 DJED Cc1cccc(-c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)c1F 564279763 UESHGVGWHYPVMU-UHFFFAOYSA-N 321.355 4.652 30 20 DJED C[C@H](NCC1(C#N)CC1)c1ccccc1-c1ccc(Cl)cc1 566754307 BEELKLYZCROQGL-AWEZNQCLSA-N 310.828 4.961 30 20 DJED Cc1cc(C)cc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c1 574661672 XOLBKXDOMUHEBK-IERDGZPVSA-N 304.437 4.903 30 20 DJED C[C@H](c1ccccc1)N(C(=O)CCCCCC#N)c1ccccn1 602419483 BURAWUMZZBFDMZ-QGZVFWFLSA-N 321.424 4.650 30 20 DJED C=CCCNc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 607150002 QIOUTWGMLKFKHT-UHFFFAOYSA-N 308.303 4.881 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2Nc1nc(-c2ccccc2)cs1 618694541 QLTRUWCEYVLVEE-QGZVFWFLSA-N 317.417 4.781 30 20 DJED Cc1cccc2c1C/C(=C/c1ccccc1C(F)(F)F)C2=O 729150715 LOWWOXVVBWITBJ-LCYFTJDESA-N 302.295 4.836 30 20 DJED Cc1ccc(F)c(/C=C\C(=O)c2cccc(OC(F)F)c2)c1 734981680 UGWJNQJODLMRPV-VURMDHGXSA-N 306.283 4.632 30 20 DJED CC(C)(C)c1ncc(/C=C2/Oc3c(Cl)cccc3C2=O)s1 736434242 RDNFCTOMSACEEQ-KPKJPENVSA-N 319.813 4.710 30 20 DJED COCc1cccc(/C=C2/CCc3cc(SC)ccc3C2=O)c1 742434076 DKCUKJSYOUPJAT-BOPFTXTBSA-N 324.445 4.767 30 20 DJED CCCCCCCS(=O)(=O)[C@@H](C)c1ccc(Cl)cc1 764513742 PLSQZNWNPTUTLD-ZDUSSCGKSA-N 302.867 4.786 30 20 DJED CCOc1c(Cl)cc(NCc2ccc(C#N)cc2)cc1Cl 767189064 AYPXNICVHWCWIN-UHFFFAOYSA-N 321.207 4.876 30 20 DJED CCSc1cccc(/C=C\C(=O)c2ccnc(Cl)c2)c1 769747203 XEIDXDXIBDVBFD-SREVYHEPSA-N 303.814 4.743 30 20 DJED O=C(/C=C\c1ccn(-c2ccccc2)n1)c1coc2ccccc12 773154242 SUNRZBYDYUQOLE-KHPPLWFESA-N 314.344 4.515 30 20 DJED CC(C)(C)Nc1ccccc1NCc1cn2ccccc2c1C#N 773372735 DQHSBLZJHMIXIX-UHFFFAOYSA-N 318.424 4.633 30 20 DJED C(CSCc1ccccc1)=NNc1nccc2sccc12 774372750 IAFVVSMJRRZRTB-UHFFFAOYSA-N 313.451 4.627 30 20 DJED CCCCCCCCC/C=C\C(=O)N1CCc2ncsc2C1 782925697 KAYRTUCRPIIFAM-KHPPLWFESA-N 320.502 4.725 30 20 DJED CCc1cccc(Cl)c1C=NNc1cccc([N+](=O)[O-])c1C 788715412 WMXVSJXHCKAEQR-UHFFFAOYSA-N 317.776 4.565 30 20 DJED CCN(C(=O)C[C@H](CC#N)c1ccccc1)c1ccc(C)cc1C 793132675 OPVLLDLJADYFFX-IBGZPJMESA-N 320.436 4.744 30 20 DJED C=CCCCCC[C@@H](C)Nc1ccc(CN2CCCC2=O)cc1 793546325 NSUDSKHTSZIIKG-QGZVFWFLSA-N 314.473 4.746 30 20 DJED COc1ccc2cc(N[C@@H](C)c3cccc(C#N)c3)ccc2c1 795315617 GWUIETVGWHNWHN-AWEZNQCLSA-N 302.377 4.893 30 20 DJED CC[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1 795994588 YLSCRGHKWUPNSC-OALUTQOASA-N 307.393 4.768 30 20 DJED CC(C)(C)CCC(=NNc1ccc(C#N)cc1)c1cscn1 807962671 FBVWQVOEPFCWEG-UHFFFAOYSA-N 312.442 4.657 30 20 DJED CCCC(=NNc1cccc(C(F)(F)F)c1)c1cccnc1 814690210 YLADVZVCUCYWKW-UHFFFAOYSA-N 307.319 4.717 30 20 DJED c1ccc2nc(NN=C3CCC(OC4CCCC4)CC3)ccc2c1 834917482 IJDGTRFITFEIOK-UHFFFAOYSA-N 323.440 4.905 30 20 DJED FC(F)(F)CCNN=C1CC[C@@H](c2cccc(Cl)c2)C1 841637384 VEYHWLCAXAFWRT-LLVKDONJSA-N 304.743 4.506 30 20 DJED C=C1CCC(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)CC1 892522643 IYVYAWPHAWGXQH-MRXNPFEDSA-N 322.433 4.733 30 20 DJED O=C(c1cccc(C2CC2)c1)N(O)Cc1cccc2ccccc12 901371157 NTECUVQQCBQGJB-UHFFFAOYSA-N 317.388 4.749 30 20 DJED CCCCCCCCCN(C)C(=O)c1cc(C(C)(C)C)nn1C 918398125 VWIUAGYUHWRZIW-UHFFFAOYSA-N 321.509 4.540 30 20 DJED Cc1cc(CON=Cc2ccccc2OC(C)C)c(C)s1 920398830 DRXMJYYUBLFSQP-UHFFFAOYSA-N 303.427 4.703 30 20 DJED Fc1ccc(-c2nc(CON=Cc3cccs3)cs2)cc1 920760250 ZDCBCHTYSKXWKX-UHFFFAOYSA-N 318.398 4.561 30 20 DJED C[C@@H]1CC(C)(C)c2cccc(NC(=O)NCC(C)(C)CC#N)c21 1220126391 QAYQIGFMOHKACW-CYBMUJFWSA-N 313.445 4.533 30 20 DJED COc1cc(CN(C(C)C)[C@@H](C)c2ccccc2)ccc1C#N 1238416543 OIIZYWPNFSMTCV-INIZCTEOSA-N 308.425 4.538 30 20 DJED CCC[C@H](C(=O)O[C@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 1275465181 UATYEMXBBBEGFM-JQFCIGGWSA-N 319.832 4.849 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1cc(F)cc(Cl)c1 1308571154 QCAHRJQRPLOAHZ-UHFFFAOYSA-N 316.807 4.761 30 20 DJED N#CC[C@H](C(=O)O[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccccc1 1354720346 RIWRSJVESVKIHR-KANFNMMFSA-N 311.425 4.586 30 20 DJED C[C@@H]1C[C@@H](c2ccccc2)N(Cc2ccc(Cl)cc2C#N)C1 1460079619 XAGONZBXBXCKOQ-KUHUBIRLSA-N 310.828 4.795 30 20 DJED C[C@H]1C[C@@H](CCNc2snc(Cl)c2C#N)CC(C)(C)C1 1472773456 WBZJCGQHLJDCNA-WDEREUQCSA-N 311.882 4.933 30 20 DJED N#Cc1c(F)cccc1N1CCc2ccc(Cl)c(Cl)c2C1 1472826340 STQWJRPPCUWXOF-UHFFFAOYSA-N 321.182 4.567 30 20 DJED Cc1cccc2c1N(C(=O)c1ccc(Cl)c(C#N)c1)CC[C@@H]2C 1588219779 VVYHLNDKONOAKX-LBPRGKRZSA-N 324.811 4.674 30 20 DJED CC[C@@H](C)CN(CC)c1cc(C)c(C#N)c2nc3ccccc3n12 1651589807 BPIDUWCXLIGLHM-CQSZACIVSA-N 320.440 4.540 30 20 DJED Cc1cc(Br)ccc1CSc1ccc(C#N)cc1 1656227978 MSMLZAQIBYRXHQ-UHFFFAOYSA-N 318.239 4.922 30 20 DJED N#Cc1ccc(CSc2nc3cc(F)ccc3s2)s1 1656867775 NKXOWAZFUTYPRM-UHFFFAOYSA-N 306.412 4.661 30 20 DJED N#CC1(CCN2CCc3cccc(Cl)c3C2)CCCCC1 1658942908 KMRZBSYZZUEFDF-UHFFFAOYSA-N 302.849 4.562 30 20 DJED CCN(Cc1ccccc1-c1ccc(C)cc1C)C[C@@H](C)C#N 1659132505 MMNGAWGSCOGZBJ-KRWDZBQOSA-N 306.453 4.952 30 20 DJED Cc1cc(C#N)cc(NC(=O)N2CC[C@@H](C(C)(C)C)C[C@@H]2C)c1 1678413225 MIMQRWTXPZPCDU-GOEBONIOSA-N 313.445 4.545 30 20 DJED Cc1c(NN=C2CCC[C@@H]2Cc2ccccc2)cccc1C(=O)O 1776087134 KDVPFPZMMQGKOF-MRXNPFEDSA-N 322.408 4.504 30 20 DJED N#Cc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 14176138 YBYGKIVMOGPGBZ-QPJJXVBHSA-N 302.160 4.761 30 20 DJED CC(C)c1ccc(/C=C2\Cc3ccccc3C2=O)cc1[N+](=O)[O-] 23776648 LMKBZNLLCHDXTM-OQLLNIDSSA-N 307.349 4.541 30 20 DJED C=CCOc1ccccc1CN[C@@H](C)c1ccc(Cl)s1 35253569 JAHQFFZPBQEDIU-LBPRGKRZSA-N 307.846 4.817 30 20 DJED N#Cc1ccc(NCc2ccccc2C(F)(F)F)c(Cl)c1 62791212 OYGABVAFXHSMJU-UHFFFAOYSA-N 310.706 4.843 30 20 DJED CCC[C@H](NC(=O)c1cccc(SCC#N)c1)c1ccccc1 79387144 PJGNRKYEZWFLOE-SFHVURJKSA-N 324.449 4.573 30 20 DJED COc1ccc([C@@H](C)N[C@H](CCC#N)c2ccccc2)c(F)c1 90665882 MPLCLFJLLNLKDG-AUUYWEPGSA-N 312.388 4.530 30 20 DJED CCCCCCCC(=O)N(C)Cc1cc(Cl)ccc1OC 105746130 YMKGXZLXENQKCB-UHFFFAOYSA-N 311.853 4.668 30 20 DJED CC(C)COc1ccccc1NCc1ccc(O[C@@H](C)C#N)cc1 119036730 QWEXGDBRHQHFCO-INIZCTEOSA-N 324.424 4.624 30 20 DJED O=C(/C=C/c1cncs1)c1ccc(-c2ccccc2F)s1 130001143 NZCNEGAVDDUJHC-AATRIKPKSA-N 315.394 4.907 30 20 DJED Cc1c(C(=O)N(C)c2cccc(C#N)c2)oc2ccc(Cl)cc12 143540832 HOLLJLRBKKSJJC-UHFFFAOYSA-N 324.767 4.543 30 20 DJED C[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1cccc(C#N)c1 181685540 PFRBYUNKOCAQMW-VLIAUNLRSA-N 308.400 4.889 30 20 DJED C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@@H]1CCCCC1(C)C 182109614 BSQLNOVJFAJBML-GJZGRUSLSA-N 314.429 4.522 30 20 DJED C[C@@H](CC1CCCCC1)C(=O)Nc1ccccc1O[C@H](C)C#N 182160545 NIUYCKMGEKQBFT-LSDHHAIUSA-N 314.429 4.522 30 20 DJED COc1ccc(C(=O)/C=C\c2nc(-c3ccccc3)cs2)cc1 206844068 AFXDPSBRVBNVSU-QXMHVHEDSA-N 321.401 4.715 30 20 DJED N#Cc1csc(CNc2cc(Cl)c(F)c(Cl)c2)c1 232027184 MIXHQSJAOXURDO-UHFFFAOYSA-N 301.173 4.678 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccccc2C(F)(F)F)s1 255215605 OFWNIQQEFKZNDQ-ALCCZGGFSA-N 307.296 4.535 30 20 DJED N#CC1(CCCNc2ccccc2-c2ccccc2)CCOCC1 280974811 HYQIKDFGUZEZQM-UHFFFAOYSA-N 320.436 4.866 30 20 DJED C[C@@H](Nc1ccc(C#N)c(Br)c1)[C@@H]1C[C@H]2CC[C@H]1C2 300295949 UASTUZOFCFTYKX-YXMPFFBPSA-N 319.246 4.557 30 20 DJED C[C@H](Sc1ccc(C#N)cc1)c1nnc(-c2cccs2)o1 337914430 MWZNPMPQEDNORV-JTQLQIEISA-N 313.407 4.523 30 20 DJED Cc1noc(C)c1-c1ccc(OCc2cccc(F)c2C#N)cc1 427527172 GVPOHYVBTWPCFR-UHFFFAOYSA-N 322.339 4.548 30 20 DJED Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H](C(C)(C)C)CC1 431714748 ZUXKVDGTOFKZHZ-MRXNPFEDSA-N 313.445 4.547 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2cc(F)ccc2F)CCCC1(C)C 436103132 TVZDIPRGHJOXIR-HNNXBMFYSA-N 308.372 4.563 30 20 DJED C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(C#N)cc1Cl 439425553 URCPMRQSXVBGHZ-NSHDSACASA-N 320.770 4.683 30 20 DJED CC1(C#N)CCC(Nc2ccc(Cl)cc2OC(F)F)CC1 449245120 YNAGLRCUGNOZLO-UHFFFAOYSA-N 314.763 4.826 30 20 DJED Cc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1Cl 474078992 CKSHCRNBMVPZGQ-UHFFFAOYSA-N 312.800 4.702 30 20 DJED C[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(C#N)cc1 481654366 VETVHJOXDAVXAZ-QVKFZJNVSA-N 315.420 4.548 30 20 DJED C=CCN(CC1CCCCC1)C(=O)[C@@H](C)c1ccccc1F 482807632 WFKQQXXZXJHNQT-HNNXBMFYSA-N 303.421 4.524 30 20 DJED CC[C@@H](NCc1ccc(C#N)c(C)c1)c1ccc(Cl)s1 488316136 RUNUUXGQNAACFY-CQSZACIVSA-N 304.846 4.823 30 20 DJED N#Cc1ccccc1-c1ccc(CS[C@@H]2CCCOC2)cc1 502446295 UNGSAHUTFOXHKL-GOSISDBHSA-N 309.434 4.637 30 20 DJED C=C(C)CCc1noc([C@@H](C)CC(=O)c2ccc(Cl)cc2)n1 508671492 MSXGRKMXRSKIJF-LBPRGKRZSA-N 318.804 4.608 30 20 DJED N#CCN(CCCSc1ccccc1Cl)C1CCCC1 523439715 KXGNGPIUFRWNDJ-UHFFFAOYSA-N 308.878 4.590 30 20 DJED CCC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](CC#N)c1ccccc1 527249454 OTACUFZLSUVSJQ-QRVBRYPASA-N 312.457 4.549 30 20 DJED C=CCC[C@H](NCC(=O)Nc1cccc(C)c1C)c1ccccc1 537092080 HBIMMBMVPWHOQO-FQEVSTJZSA-N 322.452 4.539 30 20 DJED CCN(C(=O)C1CCCCCC1)c1ccc(C#N)c(Cl)c1 538071551 AJYBLUUOFITCNL-UHFFFAOYSA-N 304.821 4.535 30 20 DJED CCN(C(=O)[C@@H](C)CCC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 541603913 FCNYHFZQWAMZRC-JKSUJKDBSA-N 314.473 4.930 30 20 DJED CC(C)(CCC#N)CN[C@H]1CCC[C@@H]1c1ccccc1Cl 554074793 GKIWKVKYSLQXGN-WBVHZDCISA-N 304.865 4.896 30 20 DJED CC(C)(C)C1CCC(CC(=O)Nc2ccccc2CC#N)CC1 557504698 CBERMOKPHDQUJJ-UHFFFAOYSA-N 312.457 4.934 30 20 DJED O=C(/C=C\c1csc(-c2ccsc2)n1)c1sccc1O 588495778 YCBSNKWBPWJTSF-UPHRSURJSA-N 319.432 4.535 30 20 DJED C[C@@H](C(=O)Nc1ccccc1C#N)c1c(Cl)cccc1Cl 609579498 YGJMSXBRQQVJIT-SNVBAGLBSA-N 319.191 4.607 30 20 DJED N#Cc1ccccc1CNc1ccc(Oc2ccccc2)cc1 610656980 YGDCJYJVPHKRIY-UHFFFAOYSA-N 300.361 4.963 30 20 DJED C=CCN(CC=C)C(=O)CCCc1ccc(Cl)c(Cl)c1 614561019 IEGOCPJOVVZSIN-UHFFFAOYSA-N 312.240 4.517 30 20 DJED COc1cc(C)c(C(=O)/C=C/c2cc3ccccc3o2)cc1OC 731319938 SLWNBWXLHXGHPR-CMDGGOBGSA-N 322.360 4.655 30 20 DJED CCCC[C@H](CC)CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 735791463 YXTICAJTQGFYSA-LSDHHAIUSA-N 311.429 4.654 30 20 DJED CCCCC(COC)=NNc1nc(Cl)c(Cl)cc1Cl 737425399 WOMUXPRSFBUDLF-UHFFFAOYSA-N 324.639 4.646 30 20 DJED FC(F)(F)c1cccc(NN=C2CCC[C@H]2c2ccccc2)n1 739421226 HMNSJHPXQWXFSY-ZDUSSCGKSA-N 319.330 4.836 30 20 DJED C=CCC(=NNc1cccc(C(F)(F)F)n1)c1ccc(F)cc1 739422538 ZJSKGHGOHZABLE-UHFFFAOYSA-N 323.293 4.632 30 20 DJED CC(=NNc1cc(C)nc(C)n1)c1cccc(-c2ccccc2)c1 746489764 IDHJMKLBWMTULT-UHFFFAOYSA-N 316.408 4.597 30 20 DJED Cc1ccccc1-c1cccc(C=NOCc2cccnc2)c1 746588141 ZDOOKFMUZHGEBK-UHFFFAOYSA-N 302.377 4.608 30 20 DJED O=C(/C=C\c1cccc(OC(F)F)c1)c1ccc(Cl)s1 747061119 BGLALDZLDRAONG-PLNGDYQASA-N 314.740 4.899 30 20 DJED N#CC1(C(=O)Oc2ccc(Cc3ccccc3)cc2)CCCCC1 749136484 ZEJGHZWPNUOCFF-UHFFFAOYSA-N 319.404 4.657 30 20 DJED CCCn1nc(C)c(/C=C2\C[C@@H](C)c3ccccc3C2=O)c1C 751534100 BIGCMTQVWFRGGJ-MLDYKZIASA-N 308.425 4.683 30 20 DJED C#CCCCCCc1nc(-c2cccc(-c3cscn3)c2)no1 762300230 SMMWFZFNFKUUNF-UHFFFAOYSA-N 323.421 4.596 30 20 DJED CCCCCCCC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 767964761 HQWFDCMXMUATRX-UHFFFAOYSA-N 310.441 4.534 30 20 DJED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1c(F)cccc1F 775375244 JGXBFAVSIZACIH-SGTLLEGYSA-N 312.363 4.565 30 20 DJED Cc1ccncc1CCC=NOCc1ccc(C(F)(F)F)cc1 776726966 XETRJNXOBRLBLI-UHFFFAOYSA-N 322.330 4.544 30 20 DJED C[C@@H]1Sc2sccc2C(=O)/C1=C/c1scnc1C1CC1 782341824 LPBFKTVLGFWREB-KIFNTFBYSA-N 319.476 4.843 30 20 DJED Cc1cc(/C=C\C(=O)c2cncs2)c(C)n1C1CCCCC1 787170636 ZGDSCJXIUUXYIX-HJWRWDBZSA-N 314.454 4.963 30 20 DJED N#CC1(CC(=O)N2CCCC[C@H]2c2ccccc2)CCCCC1 832213193 RIBZXYDFQBOLKS-SFHVURJKSA-N 310.441 4.604 30 20 DJED CCC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 835201032 ROFNRSIXMNTINH-UONOGXRCSA-N 306.475 4.905 30 20 DJED CC(CC(C)(C)C#N)=NNc1cc(C(F)(F)F)ccc1F 853325101 RKGRRUMSDRCRRP-UHFFFAOYSA-N 301.287 4.572 30 20 DJED C=C1CCC(C(=O)Nc2n[nH]c(C3CC3)c2-c2ccccc2)CC1 913723090 ZLJATLHXXKPFQV-UHFFFAOYSA-N 321.424 4.639 30 20 DJED C=CCN(C(=O)c1cc2ccccc2c(Cl)n1)c1ccccc1 915148725 MIXODRDBESNSAW-UHFFFAOYSA-N 322.795 4.721 30 20 DJED N#Cc1cc(F)ccc1CN(Cc1ccsc1)c1ccccc1 1168087815 XBJFYWWFZUVGLF-UHFFFAOYSA-N 322.408 4.966 30 20 DJED C[C@@H](N[C@H](C)c1cc(Cl)ccc1F)c1ccc(C#N)cc1 1168498306 QOSARKWVBUSQDQ-VXGBXAGGSA-N 302.780 4.763 30 20 DJED C[C@H](Nc1cc(F)cc(C#N)c1)[C@@H](C)c1ccc(Cl)cc1 1183327078 ZRAWGLOSEGKHGA-NEPJUHHUSA-N 302.780 4.955 30 20 DJED CCCCN(C(=O)c1cccc(C#N)c1C)[C@@H](C)c1ccc(C)o1 1264453586 CWKCYGKMPOBEAW-INIZCTEOSA-N 324.424 4.772 30 20 DJED CC(C)C(CCc1ccccc1)=NNc1ccc(C(C)(C)C)nn1 1328715955 MLPGBIQHWQKEKN-UHFFFAOYSA-N 324.472 4.831 30 20 DJED Cc1cc2occ(C(=O)O[C@@H](C)c3cccc(C#N)c3)c2cc1C 1355925802 KMSSQISRIBTRGR-AWEZNQCLSA-N 319.360 4.839 30 20 DJED CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 1356442534 WVTPTVWVSNVLOC-DLBZAZTESA-N 324.811 4.516 30 20 DJED CC1(C)C(CNc2c(C#N)cnc3c(Cl)cccc23)C1(C)C 1472768563 NJPQXIXVLQULHO-UHFFFAOYSA-N 313.832 4.854 30 20 DJED N#Cc1cccc(C#N)c1Sc1ccc(Cl)cc1Cl 1472786194 ZPVKPVWBANKJGW-UHFFFAOYSA-N 305.189 4.888 30 20 DJED C[C@@H](NCc1ccns1)c1ccc(-c2cccc(C#N)c2)cc1 1473376578 ZKVCFPULTWMPIM-CQSZACIVSA-N 319.433 4.533 30 20 DJED Cc1cc(F)c(C(=O)Nc2cc3ccccc3cc2C#N)c(F)c1 1525265988 NXQXWWFYNRDWKR-UHFFFAOYSA-N 322.314 4.550 30 20 DJED C[C@@H](Cc1coc2ccccc12)N[C@H]1CCc2cc(C#N)ccc21 1560806521 WMMDYJAVABDGDJ-XOBRGWDASA-N 316.404 4.513 30 20 DJED C[C@H]1C[C@@H](C)C[C@H](C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1584034001 MHHJYRSZVYTJDK-ITGUQSILSA-N 318.486 4.928 30 20 DJED CCC[C@H](NCCc1ccc(C#N)cc1)c1ccc(F)cc1F 1616630294 QIBSSKORTDEHSM-IBGZPJMESA-N 314.379 4.510 30 20 DJED CC[C@H](CN(CC)Cc1ccc(F)c(C#N)c1)c1ccccc1 1617353236 VMPOCBUEYYZYBW-QGZVFWFLSA-N 310.416 4.713 30 20 DJED Cc1ccc([C@H](C)Nc2c(Br)cccc2C#N)s1 1642140109 FRLCCXLSJJEASE-JTQLQIEISA-N 321.243 4.864 30 20 DJED Cc1cc(CN[C@@H]2CCCC[C@H]2Cc2ccccc2)ccc1C#N 1657088443 VTYKKNFGOUTUPT-RBBKRZOGSA-N 318.464 4.758 30 20 DJED C[C@H]1CN(C(=O)Nc2scc(C(C)(C)C)c2C#N)C(C)(C)C1 1671686778 UAVGRFHPQLJYQZ-LLVKDONJSA-N 319.474 4.570 30 20 DJED CCCCC1CCC(CNC(=O)Nc2sccc2C#N)CC1 1673278957 MCQLKMIWTQTFHQ-UHFFFAOYSA-N 319.474 4.738 30 20 DJED CCCC(=NNc1ccc(C(=O)O)cc1OC)C1CCCCC1 1776050065 UVLZVWAUJHBMEN-UHFFFAOYSA-N 318.417 4.542 30 20 DJED CCC(=NNc1cccc(C(=O)O)c1C)c1cc(C)ccc1C 1776088978 UXBXEFGICQYBDG-UHFFFAOYSA-N 310.397 4.536 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)c2ccc(F)cc2Cl)cc1 25438393 QUHVKZSBSYVIHS-UHFFFAOYSA-N 316.763 4.533 30 20 DJED Cc1ccccc1CC(=O)Nc1ccccc1S[C@H](C)CC#N 66801837 XERPNTNXVRPGHI-OAHLLOKOSA-N 324.449 4.571 30 20 DJED C=CCCC(=O)Nc1ccc(Oc2ccc(OCC)cc2)cc1 72080259 OOJZEODORSNBQR-UHFFFAOYSA-N 311.381 4.782 30 20 DJED CC(C)Oc1ccc(/C=C/C(=O)c2cc(F)ccc2F)cc1 83192818 BULKGUUFGHMPMN-BJMVGYQFSA-N 302.320 4.648 30 20 DJED COc1cccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)c1 83204477 YGOPSIHBGIMLTJ-ZRDIBKRKSA-N 318.372 4.753 30 20 DJED CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCCc3ccccc32)c1 113952418 ZSVYWUQKCMXYKX-GHTZIAJQSA-N 320.436 4.535 30 20 DJED C=CCN(C(=O)CCC1CC1)c1nc(-c2ccccc2)cs1 115003068 CTLAIGXANZQERP-UHFFFAOYSA-N 312.438 4.519 30 20 DJED CCCCC[C@@H](C(=O)Nc1ccc(F)cc1OCC#N)C(C)C 120165563 QLGSCDZSYIIHBS-OAHLLOKOSA-N 320.408 4.519 30 20 DJED CN(CCC#N)c1ccc(CNc2ccc3ccccc3c2)cc1 121548155 MUJINZGYDDUHMW-UHFFFAOYSA-N 315.420 4.802 30 20 DJED Cc1cc(N2CCCC2)ccc1N[C@H](C)c1ccc(C#N)cc1 121560472 LUQUNKIVACKPRP-MRXNPFEDSA-N 305.425 4.640 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(C(F)F)c2)n1 177769002 LTPKBBYGGCXLFK-LBPRGKRZSA-N 320.364 4.694 30 20 DJED N#CCCCCN[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 180429179 GQSOVAFQSHTTJG-GOSISDBHSA-N 316.807 4.852 30 20 DJED Cc1cc(C#N)ccc1CN[C@@H](C)c1oc2ccccc2c1C 186329160 NRXMODXGKPBVBY-HNNXBMFYSA-N 304.393 4.772 30 20 DJED COc1ccc2cc(/C=C\C(=O)c3ccccc3F)ccc2c1 211736457 MVFUTMXUPUYZLS-XFFZJAGNSA-N 306.336 4.884 30 20 DJED Cc1ncsc1/C=C\C(=O)c1ccc(SC(C)C)cc1 255843511 JNELPIACRDMMMG-HJWRWDBZSA-N 303.452 4.848 30 20 DJED CC(C)[C@@H](C)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N 264616254 NSMOJOMONZGSJJ-ZIAGYGMSSA-N 319.474 4.589 30 20 DJED C=CCCCC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 370065366 NAOVOJSPZMORHC-HNNXBMFYSA-N 311.347 4.725 30 20 DJED COc1ccc([C@H]2CCCN2CCCCC(C)(C)C#N)cc1 409447322 DKDORQBCDBRVNY-GOSISDBHSA-N 300.446 4.552 30 20 DJED CN(C(=O)Nc1ccc(C#N)cc1Cl)C1CCC(C)(C)CC1 426131736 RUMWTDWXJYQAOP-UHFFFAOYSA-N 319.836 4.644 30 20 DJED C=C[C@H](Cc1nc(-c2ccc(C)cc2OC)no1)c1ccccc1 432539000 RYHZBBIBYMQNKL-OAHLLOKOSA-N 320.392 4.566 30 20 DJED Fc1ccc([C@H](NCCC(F)(F)F)C(F)(F)F)cc1Cl 444810013 DHXCDLBUGUOBQH-VIFPVBQESA-N 323.639 4.625 30 20 DJED CC[C@@H](NCCCc1c[nH]c2ccccc12)c1ccc(C#N)cc1 447525644 APAWPEZBMFKKPI-HXUWFJFHSA-N 317.436 4.713 30 20 DJED CC[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1SC[C@H](C)C#N 448937194 KPQYWCGUSFFICO-RBSFLKMASA-N 316.470 4.703 30 20 DJED C[C@@H]1CCCc2ccccc2[C@@H]1NCc1ccc(C#N)cc1F 462535932 CZRNTWYHJUYHMM-JLTOFOAXSA-N 308.400 4.501 30 20 DJED C=CCCN(C)C(=O)Nc1ccccc1O[C@H](C)c1ccccc1 466580578 DYQKPHCQGHFNFB-MRXNPFEDSA-N 324.424 4.866 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 467323740 UAKUEBXQDKFTAK-UHFFFAOYSA-N 322.408 4.889 30 20 DJED C=CCCCC(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 479569818 TXVSKALJZPSKGW-LJQANCHMSA-N 321.420 4.650 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cc(Cl)cs1 494942459 XLJKYAKGPJRKQL-IAGOWNOFSA-N 316.857 4.673 30 20 DJED C=CC[C@H](C)NC(=O)Nc1ccc2nc(C(C)C)sc2c1 522654010 DZXZKQPFWXDKCS-NSHDSACASA-N 303.431 4.506 30 20 DJED C=CC1CCN(C(=O)Nc2ccc(OCCCC)cc2C)CC1 523633059 WZUNSVCVSIDBGN-UHFFFAOYSA-N 316.445 4.604 30 20 DJED CC(C)[C@@H](CC1CCCC1)C(=O)N[C@H](C)c1ccc(C#N)cc1 523816863 HCCJVBCMMTXCMO-DNVCBOLYSA-N 312.457 4.588 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](CC)CCCC 553451190 ZNNXLXVFPDIWRK-SFHVURJKSA-N 319.493 4.585 30 20 DJED N#CC[C@H](CC(=O)Nc1cccc(F)c1Cl)c1ccccc1 563297735 JJWHLCOUBUFTRB-CYBMUJFWSA-N 316.763 4.505 30 20 DJED CC(C)(C)Oc1c(F)cc(NC(=O)CCCCCC#N)cc1F 588163700 POXSQYPIRUMKQP-UHFFFAOYSA-N 324.371 4.555 30 20 DJED CCc1ccc(Cl)c(CC)c1NC(=O)CCCCCC#N 588817013 GQPVGEILJNQWSS-UHFFFAOYSA-N 306.837 4.877 30 20 DJED N#Cc1ccc(Oc2cccc(NC(=O)c3ccsc3)c2)cc1 609176252 CKPWHWGYGXWVJU-UHFFFAOYSA-N 320.373 4.664 30 20 DJED C=CCCCSCC(=O)Nc1ccc(SC(F)F)cc1 735506020 BRTMJXZNUJIEHW-UHFFFAOYSA-N 317.426 4.639 30 20 DJED Cc1ccc(C(=O)/C=C\c2cc(Cl)ccc2[N+](=O)[O-])s1 739425385 PICYCGBEZNDJHK-UTCJRWHESA-N 307.758 4.514 30 20 DJED C=CCCCCCN(C)C(=O)N[C@@H](CC)c1ccccc1OC 740050473 BWJZUSYNYWKRGL-KRWDZBQOSA-N 318.461 4.534 30 20 DJED O=C(/C=C/c1cnc2ccccn12)c1ccc(Cl)c(Cl)c1 740667701 YWDSODNBHKHXMY-FNORWQNLSA-N 317.175 4.537 30 20 DJED N#Cc1ccsc1C(=O)Nc1ccc2c(c1)oc1ccccc12 748053318 DHHYKTFUKTYVLZ-UHFFFAOYSA-N 318.357 4.771 30 20 DJED C[C@H](OC(=O)/C=C\c1ccc(Cl)s1)c1ccc(C#N)cc1 748680229 AQNIZISWCZVYOD-DVBBHNHCSA-N 317.797 4.591 30 20 DJED Fc1c(Cl)cccc1C=NNc1ccc(OC(F)F)cc1 759652051 DGPZARSAHHJYSH-UHFFFAOYSA-N 314.694 4.527 30 20 DJED Cc1cc(/C=C2\C(=O)c3ccsc3S[C@H]2C)cnc1Cl 760264648 KRABXPBSEZZQTJ-TXEUWIOXSA-N 321.854 4.865 30 20 DJED Cc1cncc(C(=O)/C=C/c2cc(Cl)ccc2OC(F)F)c1 767367199 MSRMFAYWWQRWDD-DUXPYHPUSA-N 323.726 4.541 30 20 DJED Cc1ccsc1CCCC(=O)OCCCCC(C)(C)C#N 768794983 VHJKLEFVVGRKGO-UHFFFAOYSA-N 307.459 4.643 30 20 DJED C#CCCCCCC(=O)N1CCCCC[C@@H]1c1ccc(C)o1 779959532 QXWRNYDXWLYOCJ-QGZVFWFLSA-N 301.430 4.615 30 20 DJED O=C1/C(=C/c2ccc(SC(F)F)cc2)Cc2c(O)cccc21 781548238 XUDAWBHUKIGMSY-DHZHZOJOSA-N 318.344 4.529 30 20 DJED Cc1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 782190318 ZDKHZMFCLNWYNT-ALCCZGGFSA-N 307.758 4.514 30 20 DJED Cc1ccc(N(Cc2cccs2)C(=O)CC(C)(C)C#N)cc1 782470383 PJNGFTYIGLDYCA-UHFFFAOYSA-N 312.438 4.530 30 20 DJED C#CCCCCC(=O)Nc1cc(Cl)ccc1OCC1CCC1 786223685 DPRWHPNQOOSZLW-UHFFFAOYSA-N 319.832 4.651 30 20 DJED CCC(=NNc1ncnc(Cl)c1C(C)C)c1ccccc1F 797404755 PRARLLZLKGYVDX-UHFFFAOYSA-N 320.799 4.619 30 20 DJED CCc1ccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)s1 797568988 ZFSVLLQCUIXVRC-LLVKDONJSA-N 318.467 4.555 30 20 DJED Cc1cc2cc(CNc3nc4ccccc4cc3C#N)ccc2[nH]1 804841526 WDMICPXWWJGHFR-UHFFFAOYSA-N 312.376 4.508 30 20 DJED N#CCOc1ccc(Cl)cc1CSC/C(Cl)=C\Cl 808360170 WEZBUZGIRSPJNJ-IZZDOVSWSA-N 322.644 4.795 30 20 DJED O=C(/C=C\c1scnc1C1CC1)c1c(F)cccc1Cl 809158361 AAYTXTJPGWAXJN-SREVYHEPSA-N 307.777 4.709 30 20 DJED C[C@H](C#N)Oc1ccc(CN[C@@H]2CCCCC23CCCC3)cc1 812781075 ZNALHCLEMCEBRO-VQIMIIECSA-N 312.457 4.570 30 20 DJED CCCCSCCC(=O)Nc1cc2ccccc2cc1C#N 839435946 RIWSUASRAAMEAY-UHFFFAOYSA-N 312.438 4.573 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)n1 842728917 LSJODRDWSFAKJS-YNEHKIRRSA-N 304.459 4.515 30 20 DJED CC[C@H](NCc1nc(C(C)(C)C)cs1)c1cccc(C#N)c1 902792465 AHRGZQIHFSILJK-HNNXBMFYSA-N 313.470 4.553 30 20 DJED CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1O 916134862 NRQQUSAWGKCQII-ZRDIBKRKSA-N 318.372 4.840 30 20 DJED O=C(/C=C/c1ncc(-c2ccccc2)[nH]1)c1cc2ccccc2o1 1116023229 JYUJHSICNVCRGV-ZHACJKMWSA-N 314.344 4.719 30 20 DJED Cc1cc2sc(C(=O)Nc3ccc(C#N)cc3)c(C)c2cc1C 1124340804 MYVSPSQBRLLVTF-UHFFFAOYSA-N 320.417 4.951 30 20 DJED N#Cc1cc(C(=O)N(Cc2ccsc2)c2ccccc2)cs1 1125685163 GCKSQNADIPVDNO-UHFFFAOYSA-N 324.430 4.528 30 20 DJED C[C@H](C#N)Oc1ccccc1NCc1cccc(OC(C)(C)C)c1 1178285039 HYMVWKSDOGIOMF-OAHLLOKOSA-N 324.424 4.767 30 20 DJED C[C@@H]1CCCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 1190661007 OBJRHPPXMLUJII-QGZVFWFLSA-N 304.437 4.847 30 20 DJED CC(C)CCN(CCC#N)CCn1ccc2cc(Cl)ccc21 1191366830 IXUZEERADTYQGB-UHFFFAOYSA-N 317.864 4.556 30 20 DJED CC(C)[C@H](NCc1ccc(F)cc1C(F)(F)F)C(F)(F)F 1205453563 JVEDVIHYLCUJPP-NSHDSACASA-N 317.248 4.521 30 20 DJED O=C(/C=C\c1ccc(N2CCCC2)cc1)c1csc(Cl)c1 1255572141 BNFIWYLUALUXSC-YVMONPNESA-N 317.841 4.898 30 20 DJED Cc1ccccc1[C@H](C)CC(=O)O[C@@H](C)c1ccc(C#N)cc1 1265620743 SRSIMSDELPMNJE-CVEARBPZSA-N 307.393 4.665 30 20 DJED Cc1ccc(C(=O)OCc2ccc(Cl)cc2Cl)cc1C#N 1265669735 ODVJPPCUNZCVRT-UHFFFAOYSA-N 320.175 4.531 30 20 DJED CC[C@H]1c2ccccc2CCN1Cc1ccccc1C(C)(C)C#N 1307476100 PKBRFRJLNYYPAU-NRFANRHFSA-N 318.464 4.997 30 20 DJED CCC[C@@H](c1ccccc1)c1nnc(-c2ccc(C#N)cc2)o1 1322325235 LMKLDVGYBBHKQL-KRWDZBQOSA-N 303.365 4.540 30 20 DJED CC(C)CN(C(=O)C1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1 1358198565 IFPQVYQIZGHPTQ-HZPDHXFCSA-N 312.457 4.620 30 20 DJED Cc1ccc(C#N)cc1C(=O)OCc1ccc(Cl)cc1Cl 1361260833 WZLMULKLDDRFII-UHFFFAOYSA-N 320.175 4.531 30 20 DJED CCN(Cc1ccccc1Cl)c1ncc(Cl)c(C)c1C#N 1472655574 RYETXLNZDOMJEY-UHFFFAOYSA-N 320.223 4.595 30 20 DJED Cc1ccc([C@H](CC(F)(F)F)NCc2ccc(C#N)s2)cc1 1473353813 GVVKVQKSMKXTLX-HNNXBMFYSA-N 324.371 4.712 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCC1CCC(C)(C)CC1 1474172362 KWPSZKNABIOBDM-UHFFFAOYSA-N 300.446 4.974 30 20 DJED Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2csc(C#N)c2)cc1 1530622188 WJGJKWMEFPYOQL-RDTXWAMCSA-N 324.449 4.542 30 20 DJED CC[C@H](c1ccccc1)N(CC)c1ncc(Cl)c(C)c1C#N 1559087036 XSMNVKZCVQAVCT-QGZVFWFLSA-N 313.832 4.893 30 20 DJED N#C[C@H]1CC[C@@H](N[C@@H](CCc2ccccc2)Cc2ccccc2)C1 1560897968 SRGOATPUZTVJPD-FDFHNCONSA-N 318.464 4.512 30 20 DJED N#Cc1cc(F)ccc1CN1CCC[C@@H]1CCCc1ccccc1 1616331536 KHXXTZFKNHNUBT-NRFANRHFSA-N 322.427 4.685 30 20 DJED CC[C@H](C)c1ccc(C(=O)Nc2ccc(Cl)cc2C#N)cc1 1617556196 AWPXXLKXRSQQLG-LBPRGKRZSA-N 312.800 4.977 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@H]1c1ccc(F)cc1C 1643415049 PPPXZCGNCYTSMI-FQEVSTJZSA-N 308.400 4.651 30 20 DJED C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)c1ncc(C#N)cc1F 1650694212 ZXAMZJYRXGHDEZ-VIFPVBQESA-N 324.186 4.597 30 20 DJED CCCOc1cccc(COc2nc(C(C)(C)C)ccc2C#N)c1 1652909789 ZIQKUYFUVQYNCA-UHFFFAOYSA-N 324.424 4.619 30 20 DJED C[C@@H](c1ccc(F)cc1)N1CCC(c2ccc(C#N)cc2)CC1 1656288735 GFLXRFZSKWXQLD-HNNXBMFYSA-N 308.400 4.638 30 20 DJED N#C[C@H](c1ccccc1)N1CCc2c(Cl)cc(Cl)cc2C1 1657814208 REQSJEPNMQMWAM-QGZVFWFLSA-N 317.219 4.616 30 20 DJED C[C@H](C#N)CN(C)Cc1c(Cl)cccc1Oc1ccccc1 1658521248 FDALOEIJYKJNOT-CQSZACIVSA-N 314.816 4.724 30 20 DJED O=C(O)c1cccc(NN=C2CCCC[C@@H](c3ccccc3)C2)c1 1776037061 PSYOBEKWCLYNGW-MRXNPFEDSA-N 322.408 4.901 30 20 DJED Cc1ccc(C)c(C(=O)/C=C/c2cc(C(=O)O)c(Cl)s2)c1 1776133655 HRJSXZHEUJPLHY-AATRIKPKSA-N 320.797 4.613 30 20 DJED CC[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCO2 90664947 LOQQGWCBJUUJHL-PMACEKPBSA-N 320.436 4.707 30 20 DJED C#CCCCCC(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 120218986 ITIQAZKRYINOAM-NRFANRHFSA-N 317.432 4.506 30 20 DJED O=C(/C=C/c1cncs1)c1ccccc1OCc1ccccc1 129926280 VMVAPOLYKKIHAW-ZHACJKMWSA-N 321.401 4.618 30 20 DJED Cc1cccc(COc2ccc([C@H](C)NCCCCC#N)cc2)c1 178649958 OHBSOIVFMDTOQL-SFHVURJKSA-N 322.452 4.919 30 20 DJED CC(C)(C#N)CCCN[C@H](Cc1ccccc1)c1cccs1 184968766 MEBZGWPIRBWPKX-QGZVFWFLSA-N 312.482 4.951 30 20 DJED Cc1ccccc1Sc1ccc(C#N)c(Br)c1 228253579 UMMVRLPJBUJDTN-UHFFFAOYSA-N 304.212 4.780 30 20 DJED N#Cc1ccc(CNc2cc(F)ccc2SCC(F)F)cc1 237789536 JUXBFXPABMJIGU-UHFFFAOYSA-N 322.355 4.667 30 20 DJED Cc1cc(SC(C)(C)C)ccc1NC(=O)N(C)C[C@@H](C)C#N 264124557 VQGXQQNLRBEEIG-LBPRGKRZSA-N 319.474 4.509 30 20 DJED CC(C)c1cnc(Sc2cccc(F)c2C#N)n1C1CC1 301357845 NHRFYZJSRWNESH-UHFFFAOYSA-N 301.390 4.503 30 20 DJED CCC(CC)CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 303248704 MLGDNZSXFQCQOL-UHFFFAOYSA-N 322.408 4.517 30 20 DJED Cc1nc2cc(Cl)c(N=C(O)CC[C@@H]3CCOC3)cc2s1 330125070 LSTZFACQKXTPJV-SNVBAGLBSA-N 324.833 4.663 30 20 DJED N#Cc1ccc(CN[C@H](c2cccs2)C2CCCC2)cc1F 404618872 VSRGIJZUIBGYKR-SFHVURJKSA-N 314.429 4.780 30 20 DJED CC(C)(C#N)c1ccccc1CSCCC1CCOCC1 419473481 CYTFBKKZGQABCJ-UHFFFAOYSA-N 303.471 4.538 30 20 DJED Cc1sc(NC(=O)[C@H](C)c2ccc(Cl)s2)c(C#N)c1C 427493844 ATVGTVXPNMRIBX-MRVPVSSYSA-N 324.858 4.694 30 20 DJED C=CCN(C(=O)NCc1ccc(-c2ccccc2)c(C)c1)C1CC1 430151329 BLVOHZWMWPUTGG-UHFFFAOYSA-N 320.436 4.522 30 20 DJED N#CCC1(CN[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 430736441 DNCKLMYQYWJEHV-CVEARBPZSA-N 322.374 4.625 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@@H](Cc2ccccc2)c2ccccc2F)C1 463237131 KFKBCVWRKZWVNS-LQWHRVPQSA-N 322.427 4.781 30 20 DJED CC1CCC(CC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 464941340 NGRCWVMVZDUSLR-ZYKFHVCXSA-N 324.468 4.501 30 20 DJED C=CC[C@H](CC)NC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 466376467 ISVONWZZRHWQQH-LPHOPBHVSA-N 312.457 4.593 30 20 DJED C=C(C)CN(CC)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 468272892 PNPPTLBTLAMVDL-UHFFFAOYSA-N 304.821 4.701 30 20 DJED Cc1nc(CNc2ccc(Oc3ccccc3)c(C#N)c2)cs1 488149030 KJXYZIODQSNPRL-UHFFFAOYSA-N 321.405 4.728 30 20 DJED C=CCN(CC=C)C(=O)Nc1cc(Cl)ccc1SCC 520605367 VSTNRKIRKUAELO-UHFFFAOYSA-N 310.850 4.658 30 20 DJED C=CCN(CC=C)C(=O)Nc1ccc(SC2CCCC2)cc1 532505165 JNESKZHPRRELNC-UHFFFAOYSA-N 316.470 4.927 30 20 DJED Cc1ccc(C)c2c1CCC[C@H]2N[C@H](C)c1ccc(C#N)cc1 545313192 PBHVIJDRZQJXQD-OXQOHEQNSA-N 304.437 4.903 30 20 DJED C=CCC[C@H](C(=O)N1CCC=C(c2ccco2)C1)c1ccccc1 552267319 WXWQAMWLMOFJTP-IBGZPJMESA-N 321.420 4.645 30 20 DJED CC1(C#N)CCC(Nc2ccc(COC(C)(C)C)cc2)CC1 590641743 ZUTMSLJSQOVSJH-UHFFFAOYSA-N 300.446 4.886 30 20 DJED CC[C@@H](C#N)C(=O)Nc1cccc(CSCc2ccccc2)c1 593475949 VCZNEKYIAKNVLC-KRWDZBQOSA-N 324.449 4.608 30 20 DJED CCC[C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H](CC#N)C1 597911615 AFYHPCSUWKLPGS-ROUUACIJSA-N 304.478 4.525 30 20 DJED C=CCCCCCN(C)C(=O)Nc1nnc(C(CC)CC)s1 606936205 JJJUYCORFOEETQ-UHFFFAOYSA-N 324.494 4.652 30 20 DJED C[C@@H](Nc1ccccc1CC(F)(F)F)c1cccc(C#N)c1 611483259 VSBGZENXLDNCES-GFCCVEGCSA-N 304.315 4.836 30 20 DJED O=C1/C(=C\c2cccc(OC(F)(F)F)c2)Cc2c(F)cccc21 727974458 KIGCCHQESNDAER-XFFZJAGNSA-N 322.257 4.547 30 20 DJED Cc1ccc(C2CC(=NNc3cc([N+](=O)[O-])ccc3C)C2)cc1 729819499 MJYHLCOERRVPPJ-UHFFFAOYSA-N 309.369 4.557 30 20 DJED CCCCCCCC(=O)NCc1nc2ccccc2n1C(C)C 735932094 HRZBHRAEKQCXDR-UHFFFAOYSA-N 315.461 4.594 30 20 DJED Clc1ccc([C@H]2CCCC2=NNc2nccnc2Cl)cc1 741459898 GQMGCBOEEFEVLN-GFCCVEGCSA-N 321.211 4.519 30 20 DJED CC(=NNc1ccc(Cl)cc1Cl)c1cnn(C(C)C)c1 746681644 GOHVJNZSWNFHKI-UHFFFAOYSA-N 311.216 4.607 30 20 DJED CC(C)CON=C1CCC(O)(c2ccc(C(C)C)cc2)CC1 753929785 SCCYLPHWALZPIV-UHFFFAOYSA-N 303.446 4.600 30 20 DJED O=C1/C(=C/c2ccc(OC(F)F)c(F)c2)CCc2sccc21 754685191 LWZVKPMIAUCKGY-JXMROGBWSA-N 324.323 4.701 30 20 DJED CCCC(=NNc1ccc(C)nn1)c1ccc(Cl)cc1Cl 755698626 MIPFVWWWHTVXCE-UHFFFAOYSA-N 323.227 4.708 30 20 DJED CC(C)(C#N)CCCCOC(=O)CCc1cc(Cl)cs1 768715388 NKYDISLHDVVOAR-UHFFFAOYSA-N 313.850 4.597 30 20 DJED CC(C)(C#N)CCCCN1CCC(c2cccc(F)c2)CC1 769730976 PKFDGXHPBXWDEF-UHFFFAOYSA-N 302.437 4.725 30 20 DJED C#CCCCCC(=O)N1CCCCC[C@H]1/C=C\c1ccccc1 773427972 UPVMUZVGMWCZJM-DHQBXBPASA-N 309.453 4.665 30 20 DJED CSc1ccc(C)c(N[C@@H](C)c2ccc(C#N)c(F)c2)c1 777306719 OMWHBYRRNULPGN-LBPRGKRZSA-N 300.402 4.901 30 20 DJED O=C(/C=C/c1ccccc1C(F)(F)F)c1ccnc(Cl)c1 779461093 VGTCCQDVVBFFSH-AATRIKPKSA-N 311.690 4.650 30 20 DJED O=C(/C=C\c1ccc(-c2cccc(F)c2F)o1)c1ccco1 790221796 FTKRZRNCWPBAOZ-VURMDHGXSA-N 300.260 4.714 30 20 DJED C=CCC[C@@H](NC[C@H](O)c1ccc2ccccc2c1)c1ccco1 796761089 MRFAHVNZPBUURP-UXHICEINSA-N 321.420 4.763 30 20 DJED CC[C@H](Nc1nc(Cl)c(C#N)s1)c1ccc(Cl)s1 804534962 ICBKHBXPGNYVFP-LURJTMIESA-N 318.254 4.946 30 20 DJED N#Cc1c(F)cccc1/C=C/C(=O)c1cccc(C(F)(F)F)c1 811685059 IJVDHNHVLSDDCU-BQYQJAHWSA-N 319.257 4.612 30 20 DJED CC[C@@H](C#N)Oc1cccc(CNCc2cccc(C(C)C)c2)c1 853085444 NVKMNNWWSFDNTK-FQEVSTJZSA-N 322.452 4.781 30 20 DJED CCCCCCCCCC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 916650488 SKXHNUWPDQCWCD-OAHLLOKOSA-N 311.429 4.880 30 20 DJED CCCOc1cccc(/C=C\C(=O)c2ccc(F)c(F)c2)c1 917142412 CNAPUGSSZHWMDG-TWGQIWQCSA-N 302.320 4.650 30 20 DJED C[C@H]1CCC[C@@H](CNc2c(Br)cccc2C#N)C1 1162267033 OKEYLKQNAIUZOK-NWDGAFQWSA-N 307.235 4.559 30 20 DJED Cc1cc(N[C@@H](C)c2cccc(Cl)c2Cl)ncc1C#N 1162575487 AEFOUSYEMMCJRQ-JTQLQIEISA-N 306.196 4.742 30 20 DJED Cc1c(Cl)cnc(NCc2cc3ccccc3s2)c1C#N 1163384215 ZHXRHQGKHACYOW-UHFFFAOYSA-N 313.813 4.742 30 20 DJED CC(C)(C)c1ccc(C#N)c(OCc2ccc3ccccc3c2)n1 1166392307 CGPWTVAZFMBJBP-UHFFFAOYSA-N 316.404 4.983 30 20 DJED Cc1ccc([C@H](Nc2ccc(OCC#N)cc2)C2CCC2)cc1 1255297216 YDOFMCLMZABJND-HXUWFJFHSA-N 306.409 4.851 30 20 DJED CSc1ccccc1C(=O)/C=C\c1scnc1C1CC1 1256574710 CNWFXUFFKTZPMW-HJWRWDBZSA-N 301.436 4.639 30 20 DJED Cc1ccc(C#N)cc1C(=O)O[C@H](C)c1cccc(OC(C)C)c1 1269261081 OYEYDSWPLNIVBQ-OAHLLOKOSA-N 323.392 4.572 30 20 DJED Cc1c(Cl)cnc(N2C[C@H](C)C[C@@H]2c2ccccc2)c1C#N 1307115743 VKBKSPWPEYUSMZ-SJKOYZFVSA-N 311.816 4.503 30 20 DJED C[C@H](Nc1ccc(OCC#N)cc1)c1ccc(OC(C)(C)C)cc1 1320262142 UYPFMXCITPNRQM-HNNXBMFYSA-N 324.424 4.939 30 20 DJED Cc1cc(C(=O)/C=C\c2ccc(-c3cnn(C)c3)cc2)c(C)s1 1321228081 DCFZRBILIMYCRP-TWGQIWQCSA-N 322.433 4.662 30 20 DJED CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1435997668 DUBRSRMDHZNSCX-LSDHHAIUSA-N 322.408 4.971 30 20 DJED C[C@@H](CCC(C)(C)C)NC(=O)Nc1ccc(C#N)cc1Cl 1465887964 BBWZHGMABQUDGE-NSHDSACASA-N 307.825 4.548 30 20 DJED CCC[C@H](CC)SCC[C@@](C#N)(C(C)=O)c1ccccc1 1473026019 NSHNIWXUTOJCMK-ZWKOTPCHSA-N 303.471 4.739 30 20 DJED Cc1ccc([C@@H]2CCCCN2CCc2ccc(C#N)cc2)cc1 1473187075 WOPBGRAJTNIWQX-NRFANRHFSA-N 304.437 4.636 30 20 DJED CN(Cc1ccc(C#N)cc1F)[C@@H]1CCCC[C@@H]1c1ccccc1 1474580609 ZNBDYYTWDQXHHT-TZIWHRDSSA-N 322.427 4.856 30 20 DJED CC[C@@H](CC(=O)O[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 1515135183 BKJRQECCWGSXDP-RDJZCZTQSA-N 307.393 4.746 30 20 DJED CC1(C)[C@H](c2ccccc2)CCN1C(=O)CC1(C#N)CCCCC1 1528979832 QDGWLIAQXZKYAU-SFHVURJKSA-N 324.468 4.645 30 20 DJED CCC[C@@H]1CCC[C@@H]1C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 1533970427 PZICKOGOCQKRDQ-IPELMVKDSA-N 312.457 4.684 30 20 DJED Cc1ccc(-c2ccccc2NC(=O)c2cccc(C#N)c2)s1 1535313719 GYZKPFKMAKPRDZ-UHFFFAOYSA-N 318.401 4.848 30 20 DJED Cc1cc(CN2CCc3ccccc3[C@@H]2C(C)C)ccc1C#N 1560638034 XRVNTRVYQADYTM-NRFANRHFSA-N 304.437 4.622 30 20 DJED Cc1c(C#N)cccc1NC(=O)N[C@H]1CCC[C@@H]1CCC(C)C 1562483525 ATGGQMYCFILKMS-QAPCUYQASA-N 313.445 4.593 30 20 DJED C[C@H]1Cc2c(sc(NC(=O)CC(C)(C)C)c2C#N)[C@H](C)C1 1583689274 GLYBSBBTQHPRRQ-GHMZBOCLSA-N 304.459 4.680 30 20 DJED CCOc1cccc(CN(Cc2ccc(C#N)cc2)CC(C)C)c1 1621167496 HIEQIAIXDAVAFO-UHFFFAOYSA-N 322.452 4.615 30 20 DJED N#Cc1sc(N[C@@H]2CCC[C@@H](c3ccccc3)C2)nc1Cl 1639882721 KXAHCLFUAGBEPU-CHWSQXEVSA-N 317.845 4.806 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@H]2Nc1ccc(Cl)c(C#N)n1 1650634599 XXWQYRUUWKWAHC-CYBMUJFWSA-N 315.804 4.634 30 20 DJED Cc1ccnc(N[C@H](C)C2(c3ccccc3)CCCC2)c1C#N 1651759287 ZTDAWBIHDPLCNB-MRXNPFEDSA-N 305.425 4.574 30 20 DJED COc1ccc(CSc2ccc(C#N)cc2Cl)cc1C 1651873194 FTGRJQHDZBTDMD-UHFFFAOYSA-N 303.814 4.821 30 20 DJED Cc1cc(CNc2cc(Cl)cc3cccnc23)ccc1C#N 1656776850 NMKQPHBTXFMFLE-UHFFFAOYSA-N 307.784 4.680 30 20 DJED N#C[C@@H]1CC[C@H](N[C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)C1 1658379510 YQCQIXINZKLVKG-KCMWZYNZSA-N 302.849 4.648 30 20 DJED N#C[C@@H]1CCC[C@H](Nc2cc(Cl)cc(C(F)(F)F)c2)C1 1659505847 HZYHXKWMXHISEI-SKDRFNHKSA-N 302.727 4.853 30 20 DJED O=C(O)c1cc(NN=C2CCCCCCCCC2)ccc1F 1776064334 IWDIJECZCBCDGI-UHFFFAOYSA-N 306.381 4.816 30 20 DJED C=CC[C@@]1(C(=O)O)CCCN([C@@H](CC)c2ccc(Cl)cc2)C1 1776154450 BBOVFNDVAZJJQU-FUHWJXTLSA-N 321.848 4.534 30 20 DJED COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1SC 63866707 XVQJVIGBURNWMC-YCRREMRBSA-N 318.825 4.967 30 20 DJED Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)CCCCC#N 119405613 SGHROUCHIKDQOU-HNNXBMFYSA-N 313.470 4.805 30 20 DJED COc1ccc(N[C@H](C)c2cccc(C#N)c2)cc1OC(C)C 183977408 CSOCGRZURWSRIQ-CQSZACIVSA-N 310.397 4.527 30 20 DJED C#CCC(C)(C)C(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 186088148 DMACKFZYJLYLLC-MRXNPFEDSA-N 320.436 4.848 30 20 DJED C=C(C)[C@@H](N[C@H](C)c1cncc(C)c1)c1ccc(F)c(F)c1 186452345 AIPQDYRMGZWMAM-FZKQIMNGSA-N 302.368 4.636 30 20 DJED Cc1cc(N2CCCC2)ccc1N[C@@H](C)c1cccc(C#N)c1 192979578 IRLWHVIZCRQIDC-INIZCTEOSA-N 305.425 4.640 30 20 DJED Cc1ncsc1/C=C1/CCSc2ccc(Cl)cc2C1=O 255391708 LHCQBERDQOBDBZ-POHAHGRESA-N 321.854 4.867 30 20 DJED Cc1ccc([C@@H](N[C@H](C)c2ccc(OCC#N)cc2)C2CC2)cc1 271874257 NRFNSFRVIFNLIH-IIBYNOLFSA-N 320.436 4.699 30 20 DJED CO[C@H](C)c1nc(CSCCCCC(C)(C)C#N)cs1 278025248 WJNUTENCRKZBCG-GFCCVEGCSA-N 312.504 4.804 30 20 DJED CCCC[C@@H](C)N(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 289999675 YAUCRLYVUPNBIS-CQSZACIVSA-N 301.434 4.530 30 20 DJED N=C(O)C1CCC(/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 329070800 NMMWGGNIWOBOQC-CHQKBHSXSA-N 306.450 4.643 30 20 DJED N=C(O)c1ccc(N=C(O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)c(F)c1 329165606 HNTRHOSBNDZLBN-IACUBPJLSA-N 318.392 4.904 30 20 DJED Cc1nc(/C(O)=N/[C@@H](c2ccc(F)cc2)C(C)(C)C)c(C)o1 331199385 PBKWEHOLUUYJGD-HNNXBMFYSA-N 304.365 4.523 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc(Cl)c1F 341711523 WIXUFUSHUBQIPS-QGZVFWFLSA-N 314.791 4.518 30 20 DJED C=C(C)C(C)(C)C(=O)N(C)c1nc2cccc(Cl)c2s1 425572035 NTCZUGPDJFQVCF-UHFFFAOYSA-N 308.834 4.515 30 20 DJED N#Cc1c(F)cccc1CSCCCCC1CCOCC1 427696860 PBFFBMAATRIVRU-UHFFFAOYSA-N 307.434 4.527 30 20 DJED CC1(CC(=O)Nc2ccc(CC#N)cc2Cl)CCCCC1 452647890 TWQWWVLJGWIFOV-UHFFFAOYSA-N 304.821 4.705 30 20 DJED C[C@H](c1cc2ccccc2o1)N(C)Cc1ccc(F)c(C#N)c1 468287733 HIKSSEZYKFZKLG-CYBMUJFWSA-N 308.356 4.637 30 20 DJED N#Cc1csc(CN2CCC(c3ccc(Cl)cc3)CC2)c1 482516754 YPSCDLLOJKFODT-UHFFFAOYSA-N 316.857 4.653 30 20 DJED Cc1ccc2ncc(C#N)c(N3CCC[C@@H]3c3ccsc3)c2c1 487868711 GIXUCGABQYIMHP-GOSISDBHSA-N 319.433 4.818 30 20 DJED C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 488877998 HYJJFJBESCCPCP-KWCYVHTRSA-N 324.251 4.664 30 20 DJED C=CCC[C@@H](NCc1nc(CCC)cs1)c1ccccc1 494163498 MRMNAGJACPBTMN-QGZVFWFLSA-N 300.471 4.893 30 20 DJED C=C[C@@H](CC(=O)N[C@@H](C)c1cccc(F)c1F)c1ccccc1 500155335 ORGJPQAGXLVADM-KBPBESRZSA-N 315.363 4.502 30 20 DJED C=CCCc1ccccc1NC(=O)N(Cc1cccnc1)C(C)C 505010910 NMHZVRKBNNBIHI-UHFFFAOYSA-N 323.440 4.643 30 20 DJED C=CC[C@@H](C)[C@@H](C)Nc1ccc(NC(=O)CC(F)(F)F)cc1 511020886 WTKKLGYRMUEHJH-VXGBXAGGSA-N 314.351 4.590 30 20 DJED N#CCc1ccc(CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1 511842186 GEIAUVWGQZFKDU-BDTNDASRSA-N 316.448 4.521 30 20 DJED CCC(C#N)(CC)C(=O)Nc1cccc(COC(C)(C)C)c1C 528760704 BFIHQYGDMSAKLI-UHFFFAOYSA-N 316.445 4.579 30 20 DJED C=CCCC[C@@H](C)NC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 538290302 PIZJZTPXBDPPMZ-KGLIPLIRSA-N 308.853 4.787 30 20 DJED C[C@H](NCCCSc1ccc(F)cc1)c1ccc(C#N)cc1 539496469 OZWNFPUDBNAQQO-AWEZNQCLSA-N 314.429 4.530 30 20 DJED C=CCOc1ccc(CN[C@@H](CC)CC(F)(F)F)cc1Cl 546881039 ZHNJFEWCFXFYJW-LBPRGKRZSA-N 321.770 4.725 30 20 DJED Cc1ccc2c(c1)[C@@H](NC1(c3cccc(C#N)c3)CC1)CCC2 551802868 VYUAFZNAGAYXGX-FQEVSTJZSA-N 302.421 4.523 30 20 DJED Cc1cc(NC(=O)c2cc(C#N)ccc2Cl)ccc1C1CC1 569014244 AEFMCVYDGDUEKD-UHFFFAOYSA-N 310.784 4.650 30 20 DJED CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccccc2CC#N)cc1 573759864 XAABGPZPYGUTLB-INIZCTEOSA-N 320.436 4.693 30 20 DJED C[C@H](Sc1cccc(C#N)n1)c1cccc(Br)c1 574209337 ICLLJSCKKAFHIZ-JTQLQIEISA-N 319.227 4.569 30 20 DJED CC(C)(CCC#N)CNCc1cnc(C2CCCCC2)s1 574789624 QBJQPXSTZPFYNM-UHFFFAOYSA-N 305.491 4.610 30 20 DJED Cc1cc(F)ccc1-c1noc(-c2ccc(C(C)(C)C#N)cc2)n1 578098105 FFYCIEQWSSTOAD-UHFFFAOYSA-N 321.355 4.652 30 20 DJED C[C@H](NCCCCC#N)c1ccc(-c2c(F)cccc2F)cc1 582754598 VABQKCUURUCJHH-AWEZNQCLSA-N 314.379 4.976 30 20 DJED C[C@@H](NC(=O)C1(C#N)CCCCC1)c1ccc(F)c2ccccc12 583685645 NOARFQICYDDJBY-CQSZACIVSA-N 324.399 4.630 30 20 DJED N#CCCCCN[C@@H](c1ccc2ccccc2c1)C(F)(F)F 599026563 IHHMBJARWHLQDY-INIZCTEOSA-N 306.331 4.727 30 20 DJED C=CCn1c(SCc2sc(C)nc2C)nc2ccccc21 607757003 OBEHDNRKCAZEFK-UHFFFAOYSA-N 315.467 4.588 30 20 DJED CC(C)[C@H](CC(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 610359258 HJEDCRKIFOOHBT-JXFKEZNVSA-N 320.436 4.565 30 20 DJED CC[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)C1CCCCC1 619433476 HSOIIOMOMZQAGO-OALUTQOASA-N 312.457 4.549 30 20 DJED N#Cc1ccc(/C=C2/Cc3c(ccc(Cl)c3Cl)C2=O)cc1 729149839 HWKZJULRSXTDCP-GHXNOFRVSA-N 314.171 4.687 30 20 DJED CCCC(CCc1ccccc1)=NNc1ncnc2sccc12 740760366 AVTFNSFUPHZITF-UHFFFAOYSA-N 324.453 4.892 30 20 DJED CCCCC[C@@H](C)CC(=O)N(CCC#N)c1ccc(F)cc1 742651832 XFVHCMCGVFGDDS-OAHLLOKOSA-N 304.409 4.679 30 20 DJED O=C(/C=C/c1cc2ccccc2o1)c1nc2ccccc2s1 750902096 IHRTWCZWRIFEJC-MDZDMXLPSA-N 305.358 4.939 30 20 DJED O=C1/C(=C/c2ccc(Cl)nc2Cl)Cc2cc(Cl)ccc21 761480762 SXYGNXXDWQYQLS-BJMVGYQFSA-N 324.594 4.864 30 20 DJED CCCC(=CC(=O)Nc1cc(C#N)ccc1OC(F)F)CCC 770725280 PZOROBUQBKPOFH-UHFFFAOYSA-N 322.355 4.625 30 20 DJED C=C(C)[C@@H](N[C@@H](C)c1cccnc1Cl)c1ccc(F)c(F)c1 775557201 GSMSBQSTGGQLKS-MEDUHNTESA-N 322.786 4.981 30 20 DJED N#CCSCCCN[C@@H](c1ccccc1)C1CCCCC1 776005892 JXXCZIBYJSCSOT-SFHVURJKSA-N 302.487 4.544 30 20 DJED CC(/C=C\C(=O)c1cccc(F)c1)=C\c1cccc([N+](=O)[O-])c1 787168087 PCNFJAFPPCIHRW-JQHRQWORSA-N 311.312 4.576 30 20 DJED C#CC[C@H](NC[C@@H](OC(C)C)c1ccccc1)c1ccccc1 794459490 DABBRXUIXKKDHT-LEWJYISDSA-N 307.437 4.507 30 20 DJED C[C@H]1CC=C(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)CC1 835069866 JHLMTEBZZRCEQP-XJKSGUPXSA-N 322.433 4.733 30 20 DJED O=C(/C=C/c1cc(Cl)ccc1OC(F)F)c1cccs1 915981528 RMQSZRJGHHRNPP-HWKANZROSA-N 314.740 4.899 30 20 DJED CN(C)c1ccc(C(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 916130838 GQCMBPHGOTWIRW-IZZDOVSWSA-N 319.326 4.668 30 20 DJED CCc1ccc([C@@H](C)C(=O)O[C@H](C)c2cccc(C#N)c2)cc1 1127022029 UWVPRLZHWHAXIV-HUUCEWRRSA-N 307.393 4.529 30 20 DJED C[C@@H](CCC(C)(C)C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 1129977619 YQZDUWCKLOTWPK-KSSFIOAISA-N 312.457 4.514 30 20 DJED Cc1ccc(SC[C@@H](C)Nc2cccc(F)c2C#N)cc1 1186157584 RHJLQFIAEXVYDF-CYBMUJFWSA-N 300.402 4.599 30 20 DJED Cc1ccc(C)c([C@@H]2CCCN2Cc2ccc(F)c(C#N)c2)c1 1192183553 JKICLQOFHFFPSN-FQEVSTJZSA-N 308.400 4.651 30 20 DJED CCc1ccc([C@@H]2CCCN(Cc3ccc(C#N)cc3C)C2)cc1 1194116675 ULILIKATSSLYMP-JOCHJYFZSA-N 318.464 4.809 30 20 DJED CSc1ccccc1C(=O)/C=C/c1ccc(O)c(Cl)c1 1325158874 PXYIRPWSTYUZBR-SOFGYWHQSA-N 304.798 4.664 30 20 DJED N#CCC[C@H](Nc1cc(C2CC2)nc(C2CC2)n1)c1ccccc1 1458269741 QKIBKQPSIHJOLA-KRWDZBQOSA-N 318.424 4.688 30 20 DJED N#Cc1cccc(CN(c2ccccc2F)C2CCCC2)c1F 1473244665 LWGPYTHCABRYAD-UHFFFAOYSA-N 312.363 4.786 30 20 DJED CCCN(CC[C@@H]1CCc2ccccc21)Cc1ccc(C#N)cc1 1559484333 PSISQXOOKXKSOU-NRFANRHFSA-N 318.464 4.890 30 20 DJED CC[C@@H](OC(=O)CC(C)(C)C#N)c1ccc(Cl)c(Cl)c1 1583050607 IPUGJLCPECWIQW-CYBMUJFWSA-N 314.212 4.928 30 20 DJED C[C@@H]1C[C@H](CCNc2c(C#N)nnc3ccccc23)CC(C)(C)C1 1612322215 YKRNOZDTXLPBPS-CABCVRRESA-N 322.456 4.766 30 20 DJED CC1(C)CCN(Cc2ccc(C#N)cc2Cl)c2ccccc21 1618274885 ZTGSJKWBWVMCOF-UHFFFAOYSA-N 310.828 4.900 30 20 DJED CC(C)C[C@@H]1CCC[C@@H](Nc2ccccc2O[C@@H](C)C#N)C1 1651997334 KPAOQVFMJVOXGW-YESZJQIVSA-N 300.446 4.994 30 20 DJED CC[C@H](NCc1ccc(F)c(C#N)c1)C(C)(C)c1ccccc1 1657957547 VHZZQSQJDMUTNQ-IBGZPJMESA-N 310.416 4.543 30 20 DJED CC(=NNc1cccc(Cl)c1Cl)c1cccc(C(=O)O)c1 1776081122 YZRRVTMEVHQFIV-UHFFFAOYSA-N 323.179 4.528 30 20 DJED C[C@@H](Nc1ccc(Br)cc1F)c1cccc(C#N)c1 37198675 YQAOSIJGYZBXCE-SNVBAGLBSA-N 319.177 4.633 30 20 DJED C[C@H](c1ccc(F)c(Cl)c1)N(C)Cc1cccc(C#N)c1 60467918 ZBRHGXZBBZNWIO-GFCCVEGCSA-N 302.780 4.544 30 20 DJED Cc1cccc(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 66801350 LDDCIHXPLSCPEB-HNNXBMFYSA-N 324.449 4.571 30 20 DJED Cc1scc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1C 96756527 VLFUPOOCXKGZPO-UHFFFAOYSA-N 318.467 4.848 30 20 DJED N#CCCN(Cc1ccco1)Cc1ccc(Cl)cc1Cl 96970450 VNNZVJZXIBUIMD-UHFFFAOYSA-N 309.196 4.502 30 20 DJED C[C@H](NCc1cc(C#N)ccc1F)c1ccc2ccccc2c1 120100997 WXEUOODSRDODNN-AWEZNQCLSA-N 304.368 4.701 30 20 DJED N#CCCSc1ccccc1NCc1csc(C2CC2)n1 134851110 HNIRGXDGJJBHNM-UHFFFAOYSA-N 315.467 4.638 30 20 DJED N#CCCn1cc(-c2csc([C@@H]3CCCO3)n2)c2ccccc21 136479312 YYBKNNQTYAEPQU-KRWDZBQOSA-N 323.421 4.530 30 20 DJED CC(C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)=C1CCCC1 176631306 FJHNVZOICGHFSY-OAHLLOKOSA-N 323.223 4.565 30 20 DJED C[C@@H](C#N)Oc1ccccc1NCc1csc2ccccc12 181125140 PNDOTKJSKLJXSR-ZDUSSCGKSA-N 308.406 4.804 30 20 DJED CC(/C=C\C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C/c1ccccc1 207627171 ZFUWCRVGFJEHSG-WTWRPZBJSA-N 307.349 4.746 30 20 DJED C[C@@H]1C[C@H]1[C@@H](NCC(C)(C)CCC#N)c1ccc(Cl)cc1 237454581 QFGAWEWWEWUIRE-XYPHTWIQSA-N 304.865 4.957 30 20 DJED N#Cc1cccc(C(=O)/C=C\c2cnc(-c3ccccc3)s2)c1 255323940 HHBFQNDKEMOEDT-KTKRTIGZSA-N 316.385 4.578 30 20 DJED Clc1ccc(C=NOCc2coc(-c3cccs3)n2)cc1 255669840 HKNGIMNRTGLGNW-UHFFFAOYSA-N 318.785 4.607 30 20 DJED OC1=NC[C@H](c2cccc(N=C(O)C3CCC(F)(F)CC3)c2)C1 328877342 IKKBNLBXYKUUQN-CYBMUJFWSA-N 322.355 4.544 30 20 DJED N#CCC1(CNCc2ccc(-c3ccccc3Cl)s2)CC1 430039819 MZBCCXJORAROAM-UHFFFAOYSA-N 316.857 4.852 30 20 DJED Cc1ccc(C)c(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c1 430587863 BCONIESVLUSHBT-AWEZNQCLSA-N 312.438 4.548 30 20 DJED C=CCOc1ccccc1CN[C@@H](CCC)c1ccsc1 443100284 FDVXKHPSTVWJTL-KRWDZBQOSA-N 301.455 4.944 30 20 DJED C=C(C)CN1CCC(N[C@@H]2C[C@@H](C(C)C)c3ccccc32)CC1 447531206 QGEKMJMWHRLJLL-LEWJYISDSA-N 312.501 4.501 30 20 DJED CCCCn1ccnc1-c1cccc(N[C@H]2CCC[C@H](C#N)C2)c1 463302905 SYANZJGIVFALPY-WMZOPIPTSA-N 322.456 4.844 30 20 DJED CC(C)(C#N)c1ccc(C(=O)Nc2cc(Cl)ccc2F)cc1 474427357 AGRPFQUEZYZOBD-UHFFFAOYSA-N 316.763 4.533 30 20 DJED C=CCCC1(C(=O)Nc2ccc(Cl)c3ccncc23)CC1 477086494 KNAYZJPRGDUITI-UHFFFAOYSA-N 300.789 4.573 30 20 DJED C=CCn1c(SCc2ncc(Cl)s2)nc2ccccc21 478852623 VZUGPPNXRYYUIJ-UHFFFAOYSA-N 321.858 4.625 30 20 DJED CCCN(Cc1cc(C#N)cs1)[C@H](C)c1ccccc1OC 508632993 QYOBCZYHXVBIEW-CQSZACIVSA-N 314.454 4.602 30 20 DJED Cc1cc(C)cc(CCC(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 532908106 CUOLTWLTQWCHIG-UHFFFAOYSA-N 320.436 4.676 30 20 DJED CC(C)Sc1ccccc1NC(=O)c1ccc(CC#N)cc1 535441273 OFDMTKIJDQJFPR-UHFFFAOYSA-N 310.422 4.505 30 20 DJED C=CCn1c(SCc2ccc(CCC)cc2)nnc1C1CC1 538659414 GKGYEDSYMGAQJT-UHFFFAOYSA-N 313.470 4.586 30 20 DJED CN(Cc1ccc(-c2ccccc2F)s1)CC(C)(C)C#N 552316844 OUOUEJYLZVLCJN-UHFFFAOYSA-N 302.418 4.536 30 20 DJED Cc1cc(CN[C@@H](C)c2ccccc2OC(C)C)ccc1C#N 562331104 USEMFTZQCFMUGS-INIZCTEOSA-N 308.425 4.505 30 20 DJED C[C@@H](NCCCSCc1ccccc1)c1ccc(C#N)cc1 574465823 RLYAYOOCXCCZOQ-MRXNPFEDSA-N 310.466 4.532 30 20 DJED Cc1coc(-c2ccc(C)c(N[C@@H](C#N)Cc3ccccc3)c2)n1 610735509 PGTOOHVFLKOMPB-GOSISDBHSA-N 317.392 4.505 30 20 DJED Cc1cc([C@@H](NCc2ccc(C#N)cc2C)C2CC2)ccc1F 614407445 REFPCXQJLMWJHZ-FQEVSTJZSA-N 308.400 4.555 30 20 DJED C=CCCC[C@@H](C)NC(=O)[C@H](C)c1ccccc1C(F)(F)F 678881775 RRQNPKSWMJXMMI-CHWSQXEVSA-N 313.363 4.670 30 20 DJED COc1ccc(Cl)cc1C(=O)/C=C\c1ccc2ncccc2c1 730584679 XVFGCNZGPDGONX-YVMONPNESA-N 323.779 4.793 30 20 DJED N#Cc1ccc(-c2cccc(CNCc3ccsc3)c2)s1 740012098 WHPYTOMMVXEGGI-UHFFFAOYSA-N 310.447 4.638 30 20 DJED CCCCCCC[C@@H](C)CNC(=O)N(C)[C@H](C)c1ccccn1 744280293 IWKCRYHYNMFKHE-IAGOWNOFSA-N 319.493 4.781 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)C[C@H]2CCc3ccccc32)n1 747194127 UDWRLUKGOGAOEP-GDBMZVCRSA-N 324.449 4.563 30 20 DJED CC(=NNc1cc(Cl)ccc1Cl)c1nc(C)sc1C 751896016 YZSNWFBHGFGFCG-UHFFFAOYSA-N 314.241 4.903 30 20 DJED C=C[C@@H](CC(=O)O[C@H](C)c1cccc(C#N)c1)c1ccccc1 759307922 YXUQMVIJOGTMPO-WBVHZDCISA-N 305.377 4.522 30 20 DJED C[C@@H](C#N)Oc1ccc(CN2CCCC[C@H]2c2ccccc2)cc1 762792881 APYBXVWGLJEOLS-UWJYYQICSA-N 320.436 4.705 30 20 DJED CSc1ccc(C(=O)/C=C\c2ccc(O)c(F)c2)c(Cl)c1 765613493 MEGZKJOJVRTRQT-KXFIGUGUSA-N 322.788 4.803 30 20 DJED Cc1cccc(NCc2ccc(N(C)CCC#N)cc2)c1Cl 767416454 STOSINOLCYRPNP-UHFFFAOYSA-N 313.832 4.610 30 20 DJED C#CCC1(C(=O)Nc2ccc3cn(C(C)C)nc3c2)CCCCC1 788587258 BZTZJIPTUTVWMG-UHFFFAOYSA-N 323.440 4.530 30 20 DJED CC[C@H](C)CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 790291529 CGZFVNDUNVJQNO-HNAYVOBHSA-N 306.409 4.717 30 20 DJED C=C(C)[C@H](NC(=S)Nc1ccsc1)c1ccc(F)c(F)c1 790328261 QQJLITYICGMVDF-AWEZNQCLSA-N 324.421 4.630 30 20 DJED Fc1ccc(/C=C/C=NNc2cccc3cnccc23)cc1F 794904615 LUTPAERPBRUTBJ-MCMPVUAXSA-N 309.319 4.624 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=S)N[C@@H]1CCCC[C@@H]1C 794995559 OWWSIZPBTKASJP-FUHWJXTLSA-N 316.514 4.518 30 20 DJED C#Cc1ccc(CN[C@@H](C)c2nc(-c3ccccc3)cs2)cc1 809615474 FBSAXXAOGYHPFG-HNNXBMFYSA-N 318.445 4.642 30 20 DJED Cc1cc(C)cc(NC(=S)N(C)[C@@H](C)c2cccc(C#N)c2)c1 819028711 OSEOLIUCMBJGNU-HNNXBMFYSA-N 323.465 4.565 30 20 DJED C=C(C)C(C)(C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 819947821 QPEZIDKDFZHYSH-NSHDSACASA-N 318.829 4.728 30 20 DJED C=C[C@@H](CC)CC(=O)N1CCC(c2ccnc3ccccc23)CC1 821238764 MCRJRCZEODXWFQ-INIZCTEOSA-N 322.452 4.543 30 20 DJED COc1ccc2c(c1)CC/C(=C\c1ccc(Cl)s1)C2=O 834740879 AEEOKYLGPXXRST-PKNBQFBNSA-N 304.798 4.623 30 20 DJED C=CCC(F)(F)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 839203111 NBLOMKQSNTVSGN-UHFFFAOYSA-N 313.653 4.509 30 20 DJED CC(=NNc1ccc(Cl)cn1)c1sc(C(C)(C)C)nc1C 853437637 QJBMHZCSKJICGP-UHFFFAOYSA-N 322.865 4.634 30 20 DJED CCCCCCCCCNC(=O)Nc1cccc(NC(C)=O)c1 915325209 PLUWIOHWRPVGHM-UHFFFAOYSA-N 319.449 4.517 30 20 DJED CSc1ccc(/C=C/C(=O)c2ccc(OC(F)F)cc2)cc1 916137769 USVPUMUFFCZZTH-NYYWCZLTSA-N 320.360 4.906 30 20 DJED C=CCN(C(=O)c1csc(-c2cccc(Cl)c2)n1)C(C)C 918701072 KNOHVPHKYHOORY-UHFFFAOYSA-N 320.845 4.500 30 20 DJED CCCOc1cc(/C=C2/Cc3cc(C)ccc3C2=O)ccc1OC 921263578 HCASOPDWFHCDQF-BOPFTXTBSA-N 322.404 4.615 30 20 DJED C[C@H](C#N)CNCc1ccc(-c2cc(Cl)ccc2Cl)o1 1116570296 RPAMUPYCVHKFOJ-SNVBAGLBSA-N 309.196 4.503 30 20 DJED C=C(CNC(=O)C1(c2cccc(C)c2)CCCC1)c1ccccc1 1129587491 FOYNRUVVQGWNSQ-UHFFFAOYSA-N 319.448 4.636 30 20 DJED Cc1ccc(N(CCC#N)C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)cc1 1136505981 YULGHNPWLPNYJR-DFQSSKMNSA-N 324.468 4.848 30 20 DJED CCCN(Cc1ccc(C#N)cc1)[C@@H]1CCc2ccc(F)cc21 1190348652 NCDHAGLXFHEIBZ-HXUWFJFHSA-N 308.400 4.597 30 20 DJED CN(CCC1(C#N)CCCCC1)c1ccccc1Br 1196382594 DIKBGIYFKCDJQH-UHFFFAOYSA-N 321.262 4.749 30 20 DJED CSc1ccccc1[C@H](C)NCc1ccc(C#N)c(Cl)c1 1321729200 LGXXRADZSYHFOF-LBPRGKRZSA-N 316.857 4.784 30 20 DJED C=C[C@H](Cc1nnc(-c2cccc(Cl)c2)o1)c1ccccc1 1328209781 AWLVNRWLXGFUBN-CYBMUJFWSA-N 310.784 4.902 30 20 DJED CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)N(C1CC1)[C@H](C)C#N 1437467629 RBGKOSDHKOGWBO-IVSQAGSJSA-N 316.489 4.522 30 20 DJED Cc1cc(C)cc(COc2c(C#N)cnc3ccc(C)cc23)c1 1459098063 CBTPCQAJYLREFH-UHFFFAOYSA-N 302.377 4.611 30 20 DJED C[C@@H](OC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1 1531748104 XIUKNWIITRIKQX-SNVBAGLBSA-N 320.175 4.783 30 20 DJED Cc1c(C(=O)Nc2cccc(CC#N)c2)sc2ccc(F)cc12 1545048217 NYOZZEOTPHSVAP-UHFFFAOYSA-N 324.380 4.667 30 20 DJED N#Cc1ccc(Oc2cnc3cc(Cl)ccc3n2)c(Cl)c1 1559056552 MOWJOMLYWOPNMX-UHFFFAOYSA-N 316.147 4.601 30 20 DJED Cc1ccc([C@H]2C[C@H](C)CCN2Cc2ccc(C#N)cc2C)o1 1559569698 FEXZCELHKFEEOR-AUUYWEPGSA-N 308.425 4.741 30 20 DJED C=C(CNC(=O)c1cc2cccc(C)c2s1)c1ccccc1 1584315878 CEXWUESFSLRJGE-UHFFFAOYSA-N 307.418 4.653 30 20 DJED CC[C@@H](C)c1ccc([C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)C)cc1 1623977074 KHIXWCUYJJGROH-AUUYWEPGSA-N 323.440 4.527 30 20 DJED CC(C)(C)CN(CCC#N)CCc1c(Cl)cccc1Cl 1641833889 SOHXRZMSIBTTEY-UHFFFAOYSA-N 313.272 4.798 30 20 DJED C[C@H]1CC[C@@H](c2ccccc2)N(Cc2cccc(C#N)c2F)C1 1643044695 KVEVWLBULLGFPC-KXBFYZLASA-N 308.400 4.671 30 20 DJED N#Cc1c(F)cccc1CN[C@@H]1CCCc2ccc(Cl)cc21 1652907945 USLUBBVKZROZEU-GOSISDBHSA-N 314.791 4.518 30 20 DJED CC(C)(CCC#N)CNCc1ccccc1SC(F)(F)F 1658126615 VAXDVVHOCRZMMM-UHFFFAOYSA-N 316.392 4.718 30 20 DJED CC(CC(C)(C)c1ccccc1)=NNc1ccccc1C(=O)O 1776030093 YOPNWFYWJWOIQU-UHFFFAOYSA-N 310.397 4.541 30 20 DJED Cc1nc(-c2ccccc2)sc1[C@H](C)Nc1ncccc1C#N 53584411 DOHDHTIHKYYIBS-LBPRGKRZSA-N 320.421 4.558 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccccc1S[C@H](C)CC#N 132027241 CCUKDRWXQFFQTC-CQSZACIVSA-N 314.454 4.788 30 20 DJED C[C@H](Nc1cccc(COCC2CC2)c1)c1ccc(C#N)cc1 174007301 IWAAEVTVVGESTD-HNNXBMFYSA-N 306.409 4.658 30 20 DJED CC#CCCCC(=O)N(Cc1cccs1)Cc1cccs1 185034949 NIGZUUDNPNEQNL-UHFFFAOYSA-N 317.479 4.532 30 20 DJED CSc1ccc(C(=O)/C=C\c2ccc(C)c([N+](=O)[O-])c2)cc1 209391443 ARLGDQBOAVZIPW-YHYXMXQVSA-N 313.378 4.521 30 20 DJED Cc1cc(Br)cc(N[C@@H](C)c2ccc(C#N)cc2)c1 230225325 GQRZSQMBNYMODT-LBPRGKRZSA-N 315.214 4.802 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CC=CC[C@H]1C 283793239 ALUWMSKZYLTXKM-QLFBSQMISA-N 314.454 4.622 30 20 DJED CC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1O 287863307 XMZZPNAUVOYACU-PXAZEXFGSA-N 314.816 4.719 30 20 DJED N#Cc1ccc(NC(C2CCC2)C2CCC2)cc1Br 311368896 QRNFYMHIRXBBLI-UHFFFAOYSA-N 319.246 4.701 30 20 DJED CC(C)(C#N)CCCC[S@](=O)Cc1cccc2ccccc12 435422125 MUAWPJHBUZMYQL-QFIPXVFZSA-N 313.466 4.809 30 20 DJED Cc1oc(C#N)cc1C(=O)Nc1ccccc1Oc1ccccc1 436063859 IGDMCYKOPCKCNW-UHFFFAOYSA-N 318.332 4.504 30 20 DJED CC[C@@H](C)n1ncc(NCc2ccc(C#N)c(C)c2)c1C1CC1 443998806 WRUQKWYYEOEPRA-CQSZACIVSA-N 308.429 4.524 30 20 DJED C=CCCN[C@@H](c1cccc(OC)c1)c1ccccc1Cl 462233979 FFRQZOYXBNFRCO-SFHVURJKSA-N 301.817 4.604 30 20 DJED N#C[C@@H]1CCC[C@@H](Nc2cccc(OCc3cccc(F)c3)c2)C1 463300209 IVVBEEAPASQDAA-CRAIPNDOSA-N 324.399 4.899 30 20 DJED C[C@@H]1CCCCN1Cc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1 463304845 WRQPHKXOLQCJCE-POAQFYNOSA-N 311.473 4.555 30 20 DJED C=CCCN(C)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 466973453 FOXMQBNEYCIJDL-INIZCTEOSA-N 306.425 4.521 30 20 DJED CC(C)CN(CC(C)(C)C)C(=O)C[C@H](CC#N)c1ccccc1 476352733 IUMALFBMIKPHMR-SFHVURJKSA-N 314.473 4.605 30 20 DJED C=CCCC1(C(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)CC1 476596594 GSAWLQIFBDFJQQ-MRXNPFEDSA-N 315.432 4.668 30 20 DJED C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)[C@@H]1c1ccccc1 487397954 VJIUAUZDXAQQRE-JXFKEZNVSA-N 304.437 4.681 30 20 DJED C=CCOc1ccc(C(=O)N(CCCC)c2ccccc2)cc1 498284179 CQTBUANGZIONJK-UHFFFAOYSA-N 309.409 4.698 30 20 DJED CCc1c(C)sc(NC(=O)c2ccc(Cl)c(F)c2)c1C#N 499734687 ZRTCFOJYWGVARJ-UHFFFAOYSA-N 322.792 4.535 30 20 DJED C=C(C)[C@@H](NC(=O)CC(C)(C)C1CC1)c1ccc(F)c(F)c1 501012894 COIGXSZPRUPLEB-QGZVFWFLSA-N 307.384 4.525 30 20 DJED C=CCN(CC=C)C(=O)Nc1c(CC)ccc(Cl)c1CC 515107323 NOKJFYRNLXIMJU-UHFFFAOYSA-N 306.837 4.671 30 20 DJED Cc1ccc(Oc2ccc(NCc3cc(C#N)cs3)cn2)cc1 538608651 BKFCXYKHMXIRID-UHFFFAOYSA-N 321.405 4.728 30 20 DJED Cc1ncsc1CNc1ccc(Oc2ccccc2)c(C#N)c1 548645423 FAWMBKKTGUMJLR-UHFFFAOYSA-N 321.405 4.728 30 20 DJED COC1(CCSc2ccc(C#N)c(C(F)(F)F)c2)CCC1 555037560 MFYAMLHZASBQTA-UHFFFAOYSA-N 315.360 4.628 30 20 DJED CC(C)[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 557517109 DONPAURCXGHPPC-NHCUHLMSSA-N 304.437 4.923 30 20 DJED C=CCC(C)(C)CN[C@H](c1cccnc1)c1ccc(F)c(C)c1 571779829 WEDKTXFHPRPTSZ-IBGZPJMESA-N 312.432 4.810 30 20 DJED N#CCC1(CSCc2coc(-c3ccc(Cl)cc3)n2)CC1 596334546 BTVMYSUERPZUNI-UHFFFAOYSA-N 318.829 4.922 30 20 DJED C[C@H](c1cc2ccccc2o1)N(C)C(=O)CC1(C#N)CCCCC1 596723800 NIVBMRDTQPZDRD-OAHLLOKOSA-N 324.424 4.816 30 20 DJED CCCC[C@H](CC)CC(=O)Nc1cc(C#N)ccc1OCC 609754312 KXDYCAXDYHCDJX-AWEZNQCLSA-N 302.418 4.502 30 20 DJED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)c(F)c1 618807123 UYKWDGOBFUHBLJ-BBATYDOGSA-N 314.791 4.689 30 20 DJED O=C1/C(=C\c2ccc(C(F)(F)F)cc2)CCOc2ccccc21 728441384 IRPKFTCWJMTFTG-QBFSEMIESA-N 318.294 4.754 30 20 DJED CC(C)(C)c1ccc(C=NOCc2cccnc2Cl)cc1 733192983 UKXPBAPXUSQOJK-UHFFFAOYSA-N 302.805 4.583 30 20 DJED C=CCN(C(=O)N[C@H](C)c1cccc(Cl)c1Cl)C(C)C 735584027 CSVRKYKUDBOSDE-LLVKDONJSA-N 315.244 4.660 30 20 DJED CCCC(CCc1ccccc1)=NNc1oc(C(C)C)nc1C#N 740761675 GDYJRUCHNYCACB-UHFFFAOYSA-N 324.428 4.870 30 20 DJED CCc1c(C)sc(NC(=O)C2CCCCCCC2)c1C#N 741553775 AIZVVKOWWLQBLF-UHFFFAOYSA-N 304.459 4.790 30 20 DJED C=C(C)CN[C@@H](c1cccc(SC)c1)c1cc(F)ccc1F 742264106 PSMHEVYYARGBBF-SFHVURJKSA-N 319.420 4.942 30 20 DJED CCCOc1ccc(C(=O)/C=C/c2cccc(COC)c2)cc1 742431980 RGCOGBAAHXQDJT-KPKJPENVSA-N 310.393 4.518 30 20 DJED CCC(=NNc1cccc2cnccc12)c1cc(F)ccc1F 743437587 DZSAYAMCTDSLDL-UHFFFAOYSA-N 311.335 4.739 30 20 DJED C=CC[C@@H](N[C@H](C)c1cc(Cl)ccc1OC)c1ccncc1 766017778 DBTOBXBKCAJOMC-CXAGYDPISA-N 316.832 4.712 30 20 DJED CCC[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccc(OCC#N)cc1 776155375 FEKOJPYUELNZTJ-SUMDDJOVSA-N 300.446 4.598 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1ccc(Cl)cc1F 782201195 QHGIEHKEEVBSCG-SOFGYWHQSA-N 320.795 4.769 30 20 DJED O=C1/C(=C/c2ccc3cnccc3c2)Oc2c(Cl)cccc21 782324773 GSCQQSRQIGBZCY-SXGWCWSVSA-N 307.736 4.504 30 20 DJED C=C[C@](C)(CC)C(=O)OCc1ncc(-c2cccc(Cl)c2)o1 785760953 ZYLUSJIQGSGZGZ-QGZVFWFLSA-N 319.788 4.641 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1ccc(C(F)F)cc1 794934043 FVCSFMMHDRLNRR-JXMROGBWSA-N 318.367 4.915 30 20 DJED C#Cc1cncc(C(=O)Nc2ccc(S[C@H](C)CC)cc2C)c1 806717798 PMSLURMRZWYLPW-CQSZACIVSA-N 324.449 4.514 30 20 DJED FC(F)(F)c1cscc1C=NNCc1ccccc1Cl 811639074 NODRFRAOYVHKRG-UHFFFAOYSA-N 318.751 4.544 30 20 DJED c1ccc(-c2nnc(NN=C3CC[C@@H]3c3ccccc3)s2)cc1 814946177 CPCBGNAYCSEOKN-OAHLLOKOSA-N 320.421 4.551 30 20 DJED CC1(C)CCC(CC(=O)[C@@H](C#N)c2nc(C3CC3)cs2)CC1 842941885 UEMPSCDHYSYSGG-CQSZACIVSA-N 316.470 4.803 30 20 DJED CCCCc1oc2ccccc2c1C=NNCc1ccccc1 917211775 LPFZFQOTDGFCFJ-UHFFFAOYSA-N 306.409 4.899 30 20 DJED CC[C@@H](N[C@@H](C)CC(C)(C)C#N)c1nc(C(F)(F)F)cs1 925196328 ZKHGHNXSCKRZER-VHSXEESVSA-N 319.396 4.531 30 20 DJED CSc1ccc(CSCc2cc(F)ccc2C#N)cc1 1307338850 UGLGJUIOUNHRIW-UHFFFAOYSA-N 303.427 4.853 30 20 DJED C=CCC[C@H](C(=O)OCc1ncoc1C(C)C)c1ccccc1 1320476606 IHAXNGQMULGGTI-INIZCTEOSA-N 313.397 4.591 30 20 DJED N#Cc1ccccc1Sc1ccccc1-c1nnc(C2CC2)o1 1323861983 UFVQJXAOMJETIC-UHFFFAOYSA-N 319.389 4.637 30 20 DJED CCC(CC)[C@H](NC(=O)c1cccc(C#N)c1C)c1ccccc1 1514975333 PBWBDHABCQEPFY-FQEVSTJZSA-N 320.436 4.774 30 20 DJED CCc1ccccc1[C@@H]1C[C@H]1C(=O)O[C@H](C)c1ccc(C#N)cc1 1531747472 KNFIJPABNIYOLQ-VOBQZIQPSA-N 319.404 4.529 30 20 DJED CCN(C(=O)C[C@H]1C[C@H](C)CC(C)(C)C1)c1ccc(C#N)cc1 1532303202 VYAPAEKRRXQFAG-DOTOQJQBSA-N 312.457 4.764 30 20 DJED CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ccsc1C#N)CCC2 1537646974 NXXGTRVTMCVIKV-KRWDZBQOSA-N 324.449 4.551 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)OCc1cc(C#N)ccc1F 1542582569 DJNLSLWQIDVIOC-INIZCTEOSA-N 317.404 4.737 30 20 DJED N#Cc1ccc(F)cc1CSc1nc2ccc(Cl)cc2[nH]1 1559310945 ZCEHZILLKKBPEH-UHFFFAOYSA-N 317.776 4.519 30 20 DJED N#Cc1cccc(C#N)c1Sc1cc(Cl)ccc1Cl 1611710336 WJFASBKXDLNTEY-UHFFFAOYSA-N 305.189 4.888 30 20 DJED N#Cc1cccc2c1CCN2Cc1nc(C2CCCCC2)cs1 1646298292 BJVRHMKGXCNSKM-UHFFFAOYSA-N 323.465 4.625 30 20 DJED CCc1ccc([C@@H]2C[C@H](C)CCN2CCCC(C)(C)C#N)o1 1652591436 FIQXBYVANYZTGA-WBVHZDCISA-N 302.462 4.945 30 20 DJED N#C[C@@H](CCc1ccccc1)S[C@H]1CCOc2ccccc21 1652717351 IZTQLEMPMAIXER-APWZRJJASA-N 309.434 4.768 30 20 DJED C[C@H](CCC#N)CN1CCc2ccccc2[C@@H]1Cc1ccccc1 1657392779 RRIAZGZCHPNRPK-GCJKJVERSA-N 318.464 4.768 30 20 DJED CC(C)[C@H](NCc1cccc(C#N)n1)c1ccc(C(C)(C)C)cc1 1659572690 YFQBEZXRZCNKGF-FQEVSTJZSA-N 321.468 4.738 30 20 DJED N#Cc1ccc(CN2CCC[C@H]2CCC2CCCC2)c(F)c1 1663613493 ULJRMWHVYPMBGA-SFHVURJKSA-N 300.421 4.632 30 20 DJED Cc1cc(Cl)cc(C)c1/C=C/C(=O)c1cccc(C(=O)O)c1 1777423456 QYLOLJKUKXWOJA-VOTSOKGWSA-N 314.768 4.551 30 20 DJED C=C(C)COc1cccc(NC(=O)c2ccc(Cl)cc2)c1 9823763 WCLGPJYSHHSSQX-UHFFFAOYSA-N 301.773 4.547 30 20 DJED N#Cc1cccc(CNCc2ccc(-c3ccc(Cl)cc3)o2)c1 53102579 KEHJJOUCXHUVLX-UHFFFAOYSA-N 322.795 4.761 30 20 DJED CC(C)c1ccc(C(=O)Nc2cccc(OCCCC#N)c2)cc1 55568395 AEGAFEPXYYVQOR-UHFFFAOYSA-N 322.408 4.745 30 20 DJED C=CCN(Cc1cccc(C#N)c1)C(=O)CCCC1CCCCC1 62905093 JPSWGXDWHBVBSU-UHFFFAOYSA-N 324.468 4.823 30 20 DJED C=CCOc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 65749555 NHWQPBWVXRBGGB-UHFFFAOYSA-N 321.298 4.523 30 20 DJED Cc1cc(C)cc([C@@H](C)NCc2cccc(OCCCC#N)c2)c1 107319958 ZMPUPPZFAORQIP-GOSISDBHSA-N 322.452 4.837 30 20 DJED C=CCCO[C@@H](C)C(=O)Oc1c(Cl)cc(Cl)cc1Cl 109238280 SWZUISBNEADQLS-QMMMGPOBSA-N 323.603 4.533 30 20 DJED C[C@H](C#N)CSc1ccccc1NCc1ccc(F)c(F)c1 117869257 HWYMJVNMZHLOKG-GFCCVEGCSA-N 318.392 4.829 30 20 DJED Cc1cc(Cl)ccc1CNc1ccccc1O[C@@H](C)C#N 130587947 JLWSGTLOBXSFHJ-ZDUSSCGKSA-N 300.789 4.551 30 20 DJED O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccncc1 216148639 FYTJJPRGXVNAAI-DHZHZOJOSA-N 315.372 4.557 30 20 DJED O=C(/C=C\c1cccc(-c2cccnc2)c1)c1ccc(Cl)nc1 255372117 AKRQVKLLYUJTHZ-VURMDHGXSA-N 320.779 4.693 30 20 DJED C[C@H](CC(C)(C)c1ccccc1)Nc1cccc(OCC#N)c1 319855196 NXMUPTSUIXJADP-MRXNPFEDSA-N 308.425 4.757 30 20 DJED CC(C)(C)c1ccc([C@@H]2CCCN2CCCSCC#N)cc1 466745052 XVCBTXBLKLNKKK-SFHVURJKSA-N 316.514 4.768 30 20 DJED C=CCC(CC=C)C(=O)N(C)CCc1cccc2ccccc12 467828481 NDLAHVJPCZZSFN-UHFFFAOYSA-N 307.437 4.609 30 20 DJED Cc1ccc(-c2nc(CSc3cccc(C#N)c3)co2)cc1 468639329 PMNGNSHOPFVPGW-UHFFFAOYSA-N 306.390 4.814 30 20 DJED CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CC1 475650342 MSMSQUWLDMYNQJ-LSDHHAIUSA-N 312.457 4.527 30 20 DJED C[C@@H](NC(=O)CC(C)(C)C#N)c1ccccc1Oc1ccccc1 493644633 SQLLHAFVRGCSGT-OAHLLOKOSA-N 322.408 4.596 30 20 DJED N#Cc1ccc(COc2ccc(Cl)c(C(F)(F)F)c2)cc1 495345817 YJCDUWLILGAHHH-UHFFFAOYSA-N 311.690 4.809 30 20 DJED C=CCN(CC=C)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 503344417 OHTLHRNILFCUGS-KRWDZBQOSA-N 318.436 4.687 30 20 DJED C=CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)CCC1 512980367 VQXJKXLBRVZSOL-REPLKXPHSA-N 309.453 4.670 30 20 DJED C[C@H](N[C@H](C)CCc1ccc(F)cc1F)c1ccc(C#N)cc1 513648274 QJKIESAIHJVRLY-KGLIPLIRSA-N 314.379 4.508 30 20 DJED C=CCCc1csc(-c2ccc(NC(=O)c3ccco3)cc2)n1 536390115 HWRYQEWJVHJWJR-UHFFFAOYSA-N 324.405 4.774 30 20 DJED C[C@@H](NC(=O)C1(C)CCC1)c1ccc(-c2cccc(C#N)c2)cc1 542932796 SEKOKFSJXMXZOO-OAHLLOKOSA-N 318.420 4.593 30 20 DJED N#Cc1c(F)cccc1SCc1ccccc1Br 560374047 SZXWVXFLQIMTKU-UHFFFAOYSA-N 322.202 4.752 30 20 DJED C[C@H](Sc1cc(C#N)ncn1)c1ccc(Cl)c(Cl)c1 563772339 CRGVZVFNLIXOSE-QMMMGPOBSA-N 310.209 4.508 30 20 DJED CC(C)(C#N)CCSCc1csc(Cc2ccccc2)n1 579095214 IJFYTLIPGWCCHO-UHFFFAOYSA-N 316.495 4.907 30 20 DJED N#CC1(Cc2nc(C3(c4ccccc4)CCC3)no2)CCCCC1 596595292 ZXJBIBAWKKNSTM-UHFFFAOYSA-N 321.424 4.556 30 20 DJED Cc1cc(C#N)ccc1COc1ccc(-c2c(C)noc2C)cc1 617759110 VKWBHEGUXYYHCU-UHFFFAOYSA-N 318.376 4.718 30 20 DJED CCCCCCCC(=O)Nc1ccccc1SCCC#N 730982766 WNZAHGVOJLNQFG-UHFFFAOYSA-N 304.459 4.991 30 20 DJED Cc1ccc(-c2ncc(/C=C/C(=O)c3ccc(O)cc3)s2)cc1 734303535 SRVQCXXBFBASIZ-ZHACJKMWSA-N 321.401 4.720 30 20 DJED CSc1ccc(/C=C2/Cc3cc(Cl)ccc3C2=O)cc1 742437710 PWNCUKDZBFZLKA-JYRVWZFOSA-N 300.810 4.884 30 20 DJED C=CCCCCCN(C)C(=O)/C=C/c1cnc(C(C)(C)C)s1 742697295 VFVQIJXVTRCODU-VAWYXSNFSA-N 320.502 4.659 30 20 DJED CC(C)(C)c1ncc(/C=C2/Cc3c(F)cc(F)cc3C2=O)s1 751536784 UPSKPBXXIDORMN-WTKPLQERSA-N 319.376 4.541 30 20 DJED Cc1ccc2c(c1)OCC/C(=C\c1ccc3ncccc3c1)C2=O 763117749 XFKXCULOSRNHPQ-GHRIWEEISA-N 315.372 4.592 30 20 DJED Cc1ccc2c(c1)OCC/C(=C/c1ccc3ncccc3c1)C2=O 763117751 XFKXCULOSRNHPQ-LGMDPLHJSA-N 315.372 4.592 30 20 DJED C#CC[C@@H](NCc1cc(-c2ccc(C)cc2)no1)c1ccccc1 775400952 UTLGQWVJPNSYJK-HXUWFJFHSA-N 316.404 4.504 30 20 DJED C#CCCCCCC(=O)N(C)Cc1ccccc1-c1ccccc1 779896617 OVUZFYFBAGSGSI-UHFFFAOYSA-N 319.448 4.896 30 20 DJED FC(F)(F)c1ccc(CNN=Cc2sccc2Cl)cc1 782203599 RVAQQPKDQPNCBL-UHFFFAOYSA-N 318.751 4.544 30 20 DJED O=C1/C(=C\c2ccc3cnccc3c2)Cc2cc(Cl)ccc21 782343779 XMTOXFDNPXRMMQ-PXNMLYILSA-N 305.764 4.711 30 20 DJED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(SC(C)(C)C)cc1 782416802 VVOVGKSLBIXFAK-SFHVURJKSA-N 321.486 4.745 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 785518756 TYSMYHIJBUQCBZ-TZIWHRDSSA-N 318.420 4.883 30 20 DJED C=C[C@](C)(CC)C(=O)O[C@H](C)c1nc2ccccc2n1C(F)F 785756773 CTVFNMNYEWVBCQ-PIGZYNQJSA-N 322.355 4.638 30 20 DJED CC(C)c1nc(C(=O)/C=C\c2cnc(C(C)(C)C)s2)cs1 787479278 AKHHRQZEBQFDAO-SREVYHEPSA-N 320.483 4.917 30 20 DJED O=C(/C=C\c1cnc(-c2ccco2)s1)c1ccc(F)c(F)c1 788096554 DBAPKEYLBVGKTF-XQRVVYSFSA-N 317.316 4.577 30 20 DJED CC(=NNc1cc(F)c(F)cc1F)C1CCC(F)(F)CC1 788715728 QIZJADAYHFOYTF-UHFFFAOYSA-N 306.278 4.717 30 20 DJED Cc1ccccc1-c1cccc(C=NNCCC(F)(F)F)c1 794553312 PQJHEFAKWABQTR-UHFFFAOYSA-N 306.331 4.538 30 20 DJED C=CCC[C@@H](Nc1cc(OC)c(OC)cc1F)c1ccco1 796901723 YYCPSJIVHFCKKE-CYBMUJFWSA-N 305.349 4.555 30 20 DJED CC(C)N(CCO[C@@H](C)C#N)c1ccc(Nc2ccccc2)cc1 801932432 MCETYSRVXNQTDP-KRWDZBQOSA-N 323.440 4.574 30 20 DJED Clc1cnc(NN=Cc2ccc(Cl)s2)c(Cl)c1 839396195 YSVYHFDZXQUMTF-UHFFFAOYSA-N 306.605 4.549 30 20 DJED CC(C)(C)c1nc(C#N)c(NN=C2CCC(=C3CCC3)CC2)o1 853298199 UGVGLJCROIDVTR-UHFFFAOYSA-N 312.417 4.666 30 20 DJED C/C(=C(/F)C(=O)Nc1ccccc1S[C@H](C)CC#N)C1CC1 900637682 RCFUVFRHUCQNEB-VSORXJBLSA-N 318.417 4.673 30 20 DJED CSc1ccc(/C=C2/CSc3ccc(F)cc3C2=O)cc1 916128652 UBEIHXZRICWGCR-WQLSENKSSA-N 316.422 4.920 30 20 DJED Cc1ccc2c(c1)C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O 921264498 VAIOJLRSLWVCOU-NTEUORMPSA-N 302.295 4.836 30 20 DJED CCCCCCCCCC(=O)NC1CC(C)(C)NC(C)(C)C1 935781069 WRXQMJBEHLIISN-UHFFFAOYSA-N 310.526 4.553 30 20 DJED C[C@H](Cc1cccc(C(F)(F)F)c1)Nc1cccc(CC#N)c1 1181828931 XDMKKVPXMITZFF-CYBMUJFWSA-N 318.342 4.815 30 20 DJED CCc1ccc([C@H](Nc2ccc(Cl)c(C#N)n2)C(C)C)cc1 1184643995 FPBBJIOFVPLTHK-GOSISDBHSA-N 313.832 4.978 30 20 DJED Cc1ccc(N(C)Cc2ccc(Cl)cc2C#N)cc1Cl 1192021902 FJCVKFMPCTYYMG-UHFFFAOYSA-N 305.208 4.810 30 20 DJED N#Cc1ccc(CN2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)s1 1193574173 DTJHRKVCCDDUHT-XUVXKRRUSA-N 322.477 4.778 30 20 DJED CC[C@@H](Nc1ccc(OCC#N)cc1)c1cccc(Cl)c1F 1320235258 SPCMMEBQYPTLCE-MRXNPFEDSA-N 318.779 4.945 30 20 DJED O=C(CC#Cc1ccccc1)Nc1cc(Cl)c(Cl)cc1F 1321183692 HIIRBEZJBPWNSV-UHFFFAOYSA-N 322.166 4.513 30 20 DJED Cc1ccccc1[C@H](Nc1cc(C#N)ncn1)[C@@H]1CCC[C@H](C)C1 1559102005 ZYEHMEBNIAJZGK-YYFZDKIDSA-N 320.440 4.636 30 20 DJED CCC[C@@H]1CCCC[C@@H]1NCc1cc(Cl)ccc1OCC#N 1559774105 YZYRHCDZWGNLHZ-PBHICJAKSA-N 320.864 4.691 30 20 DJED N#Cc1sc(N2CCC[C@H]2CC2CCCCC2)nc1Cl 1611889354 MJURRZZFQMSXPQ-LBPRGKRZSA-N 309.866 4.607 30 20 DJED CC[C@H]1CCCC[C@H]1C(=O)N(c1ccccc1C#N)C1CCC1 1617593626 AMSRNAJLMPHLEI-MAUKXSAKSA-N 310.441 4.660 30 20 DJED N#Cc1c(Cl)nsc1N[C@@H]1CCC[C@@H](c2ccccc2)C1 1639883234 TYHMNHYLBQZGMG-CHWSQXEVSA-N 317.845 4.806 30 20 DJED CC(C)c1ccc(CC2CCN(c3ccnc(C#N)c3)CC2)cc1 1642538227 TZEBWVPQKAKRCT-UHFFFAOYSA-N 319.452 4.536 30 20 DJED CCCN(Cc1ccc(CC#N)cc1)[C@@H]1CCc2ccccc21 1653225489 ISHRZVSNMISKAC-OAQYLSRUSA-N 304.437 4.652 30 20 DJED CC[C@H](CNC1CCC(C)(C#N)CC1)Oc1cccc(Cl)c1 1655781917 PWWXFYLSRHXFJJ-UPTPFMHGSA-N 320.864 4.559 30 20 DJED Cc1cc(C)c(C#N)c(SCc2ccc(C(F)(F)F)cc2)n1 1656012902 INALDWZMHQFMNR-UHFFFAOYSA-N 322.355 4.881 30 20 DJED Cc1cc(CN2CCC[C@@H]2c2cccc(C)c2C)ccc1C#N 1658251241 KMZVJHOXNPRKAQ-OAQYLSRUSA-N 304.437 4.821 30 20 DJED Cc1cc(Cl)cc(C)c1/C=C/C(=O)c1csc(C(=O)O)c1 1777423378 DMUCXADIOVAJCY-ONEGZZNKSA-N 320.797 4.613 30 20 DJED N#Cc1c(COc2cc(Cl)ccc2Cl)cn2ccccc12 14728589 YWLFQBVPEYPQPL-UHFFFAOYSA-N 317.175 4.697 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1cccc(Cl)c1 27354000 AHUHRWKFQAVKSK-UHFFFAOYSA-N 300.789 4.560 30 20 DJED CC[C@@H](C#N)Oc1cccc(CN[C@@H](CC)c2ccccc2)c1 72997923 AJFQKUHCNVHSHU-ICSRJNTNSA-N 308.425 4.608 30 20 DJED N#CCC[C@@H](Nc1ccc2cc(C#N)ccc2n1)c1ccccc1 92924062 NQPRWVAQDBDEPK-GOSISDBHSA-N 312.376 4.563 30 20 DJED C=C[C@H](CC(=O)N[C@H](c1ncccc1C)C(C)C)c1ccccc1 134873339 ABUAUTDAHBRTEF-XLIONFOSSA-N 322.452 4.563 30 20 DJED N#Cc1cccc(CNc2cccc(N3CCCCCC3)c2)c1 151490912 JCIZSNRKTTYWDO-UHFFFAOYSA-N 305.425 4.551 30 20 DJED CC(C)CC1(C(=O)[C@H](C#N)c2nc3ccccc3o2)CCCC1 176733596 DKLYTCKRWANMAJ-AWEZNQCLSA-N 310.397 4.611 30 20 DJED C[C@H](CCc1ccccc1)Nc1cccc(OCCCC#N)c1 237519097 GBMURXPQRDRFKU-QGZVFWFLSA-N 308.425 4.802 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2ccccc2C(F)(F)F)s1 255160702 SNJLVAZRLCOWFQ-FPLPWBNLSA-N 307.296 4.535 30 20 DJED CC(C)(C#N)CCCC[S@@](=O)[C@@H]1CCCc2ccccc21 278341457 UXVNUTOQRLNXTE-DYESRHJHSA-N 303.471 4.533 30 20 DJED CCOc1cc(/C=C/C(=O)c2cccc(C)c2)cc(Cl)c1O 301577804 BDFXLNIFASBXRS-BQYQJAHWSA-N 316.784 4.649 30 20 DJED Cc1ccc(-c2nc(N=C(O)C[C@@H]3CCOC3)sc2C)s1 329730584 DECOGUZDVSHRSY-NSHDSACASA-N 322.455 4.503 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cccc(Cl)c1Cl 436287988 UMIZABMYCQILSN-HSMVNMDESA-N 314.256 4.625 30 20 DJED C=C[C@](C)(CC)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 463285943 JOBCKWPDTFWBCK-CZUORRHYSA-N 309.862 4.595 30 20 DJED C=CCC[C@@H](NC(=O)N(C)Cc1ccccc1)c1ccccc1 478887525 KJUVHCSHKLKGJR-LJQANCHMSA-N 308.425 4.536 30 20 DJED C=CC[C@H](C(=O)N[C@@H](C)[C@@H](C)c1ccccc1)c1ccccc1 489699616 RIPQEPHVJXOUPJ-UWVAXJGDSA-N 307.437 4.655 30 20 DJED CCOc1ccc(C#N)cc1NC(=O)C[C@H](C)C1CCCCC1 500585744 IVHLFDROIKMDOH-AWEZNQCLSA-N 314.429 4.502 30 20 DJED CC(C)(C#N)CC(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1 501673966 OBIZRYRDZMDCSK-KRWDZBQOSA-N 318.848 4.627 30 20 DJED CC[C@@](C)(C#N)C(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 510018564 JWFXABBCCFUZTI-QRWLVFNGSA-N 321.424 4.738 30 20 DJED C[C@@H](c1cc2ccccc2o1)N(C)c1ncc(C#N)cc1Cl 513625431 QGQZURRUWQRWAN-NSHDSACASA-N 311.772 4.550 30 20 DJED C[C@H](CNc1cccc(OCCCC#N)c1)c1ccc(F)cc1 527365831 CNVCWUDGWSVMII-OAHLLOKOSA-N 312.388 4.724 30 20 DJED C=CCSc1ccccc1C(=O)Nc1nc(C(C)(C)C)co1 572054797 BFRZNTUNMCFOCR-UHFFFAOYSA-N 316.426 4.503 30 20 DJED C[C@@H]1C[C@H](NC(=O)CCCCCC#N)C[C@H](c2ccccc2)C1 591098914 BSNYTVXVNORRNF-UHOSZYNNSA-N 312.457 4.549 30 20 DJED N#CCCSc1ccccc1NC(=O)c1ccc(C2CC2)cc1 597177627 QSTQBGYZRXEEQG-UHFFFAOYSA-N 322.433 4.822 30 20 DJED C[C@@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)c1ccc(C#N)cc1 609813713 GVRDDPHORBVVSS-GFCCVEGCSA-N 323.396 4.941 30 20 DJED C=CCN(C(=O)c1cc2ccccc2cc1OC)c1ccccc1 641897466 QLEVEDIYEXPROJ-UHFFFAOYSA-N 317.388 4.681 30 20 DJED C=C(C)CNC(=S)Nc1cc(Cl)ccc1SC(C)C 729161607 FARUBZIUHCYYAI-UHFFFAOYSA-N 314.907 4.703 30 20 DJED COCc1cccc(/C=C/C(=O)c2oc3ccccc3c2C)c1 742432399 VWDIZIIBKOWYDA-ZHACJKMWSA-N 306.361 4.784 30 20 DJED Cc1cc(C(=O)/C=C/c2cccc(OC(F)F)c2)c(C)s1 747063134 BVUMSQPQPYBSRP-VOTSOKGWSA-N 308.349 4.862 30 20 DJED C=CC[C@@H](N[C@@H](C)c1cc(Cl)ccc1OC)c1ccncc1 766017781 DBTOBXBKCAJOMC-SUMWQHHRSA-N 316.832 4.712 30 20 DJED CCc1oc2ccccc2c1C=Nn1c(CC)nc2ccccc21 767372525 DZGLCSOSXXLSDL-UHFFFAOYSA-N 317.392 4.790 30 20 DJED Clc1cc(Cl)c(NN=C2CCCOCC2)c(Cl)c1 770590245 QOHASKHZEGLCBW-UHFFFAOYSA-N 307.608 4.615 30 20 DJED C=CCC[C@H](Nc1nccc2c1C(=O)OC2(C)C)c1ccccc1 771929365 XYVYRPZKBOJYOS-INIZCTEOSA-N 322.408 4.607 30 20 DJED C#CC[C@@H](N[C@@H](C)c1ccc(N(C)CC)cc1)c1ccccc1 773113802 DZNNTUCPKQJORG-LAUBAEHRSA-N 306.453 4.558 30 20 DJED CC(C)(C#N)CCCOC(=O)C(c1ccccc1)c1ccccc1 782022428 UALZDVGBTVRYIP-UHFFFAOYSA-N 321.420 4.692 30 20 DJED CC(C)c1ccc(SCC(=O)OCCCC(C)(C)C#N)cc1 783011574 AGFDSURMVZQKBP-UHFFFAOYSA-N 319.470 4.775 30 20 DJED CC1(C)CC[C@@H](NCc2cc(C#N)ccc2F)c2ccccc21 795802461 UDSQPIOTJSMSFY-LJQANCHMSA-N 308.400 4.600 30 20 DJED Cc1ccc(C(=O)N(CC(C)(C)C)c2ccccc2)cc1C#N 799370858 ZCLXREMCAHPYQS-UHFFFAOYSA-N 306.409 4.560 30 20 DJED CCC(=NNc1ccccc1Br)c1cccs1 812462667 RDASAYLJIZZTHA-UHFFFAOYSA-N 309.232 4.737 30 20 DJED Clc1ccc(-c2ccc(NN=C3CC4(CCC4)C3)nn2)s1 848414607 ODEYBZNIUMWHMF-UHFFFAOYSA-N 318.833 4.591 30 20 DJED Cc1ccc(NC(=O)OC(C)(C)C)cc1NC[C@@H](C)CCC#N 876833923 PBZXGDZBIAEQDO-ZDUSSCGKSA-N 317.433 4.694 30 20 DJED CCCOc1cccc(/C=C/C(=O)c2ccc(OC)cc2F)c1 917145595 SVSHHRCZAVRUAF-JXMROGBWSA-N 314.356 4.519 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1cccc2ncccc12 1202715278 GXWPQYZLZHPTOK-UHFFFAOYSA-N 317.392 4.506 30 20 DJED CCc1cc(C#N)c(NC(=O)c2ccc([C@H](C)CC)cc2)s1 1264756238 XBJOOTNJCRLWFW-GFCCVEGCSA-N 312.438 4.948 30 20 DJED C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1ccc(Cl)cc1C#N 1307809133 BYTZSRAYMCZYNU-CZUORRHYSA-N 304.865 4.858 30 20 DJED C#CCCCCCc1nnc(CSc2ccc(Cl)cc2)o1 1346613564 MWUYJQHZBGUVNA-UHFFFAOYSA-N 320.845 4.751 30 20 DJED Cc1cc2sc(C(=O)Nc3cccc(C#N)c3)c(C)c2cc1C 1351937456 XPPBTPGJDFNPKW-UHFFFAOYSA-N 320.417 4.951 30 20 DJED CCc1ccc(F)cc1C(=O)N(CC(C)C)c1ccc(C#N)cc1 1352727413 YYMMIKGYRYSZEX-UHFFFAOYSA-N 324.399 4.563 30 20 DJED CC(C)CC[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)C(C)(C)C 1435173453 ULEUNLRTRWEHBL-MRXNPFEDSA-N 320.864 4.792 30 20 DJED CC(C)(C)c1csc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1C#N 1436551546 DRZCIUROWKWIDQ-RWMBFGLXSA-N 316.470 4.682 30 20 DJED CCN(Cc1ccc(C#N)cc1OC)c1cccc2ccccc12 1460412625 CISXHPRHRKTLBO-UHFFFAOYSA-N 316.404 4.747 30 20 DJED C[C@H](CCC(C)(C)C)NC(=O)Nc1ccc(C#N)cc1Cl 1465887960 BBWZHGMABQUDGE-LLVKDONJSA-N 307.825 4.548 30 20 DJED N#CCc1ccc(CN2CCC[C@H]2Cc2ccccc2Cl)cc1 1473124236 LITSJDWXGIZSAF-IBGZPJMESA-N 324.855 4.613 30 20 DJED CCCC[C@H](C)N(CCCC)C(=O)Nc1cc(F)cc(C#N)c1 1476982447 CJGCZCHURXFMCS-AWEZNQCLSA-N 319.424 4.910 30 20 DJED Cc1ccc([C@H]2CCC[C@H]2OC(=O)c2cccc(C#N)c2C)cc1 1518081254 QTIMJZHQPPNNQE-WOJBJXKFSA-N 319.404 4.668 30 20 DJED CC[C@@H](CC(C)C)C(=O)Nc1sc2c(c1C#N)CCCCC2 1521563958 CDEBLEHOMQTRMZ-ZDUSSCGKSA-N 318.486 4.899 30 20 DJED N#Cc1c(F)cccc1N1CCCC[C@H]1c1cc2ccccc2[nH]1 1559135031 UKKOEYNJHZUCOX-FQEVSTJZSA-N 319.383 4.910 30 20 DJED CCC(C)(C)C1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 1562052113 DKJIHLMTEXIDFB-UHFFFAOYSA-N 313.445 4.675 30 20 DJED C[C@H]1Cc2c(sc(NC(=O)CCC3CCC3)c2C#N)[C@H](C)C1 1583690738 SFTSLOGCDRZBLE-VXGBXAGGSA-N 316.470 4.824 30 20 DJED CC[C@@H](C)[C@H]1CCCCN1Cc1ccc(C#N)cc1OC(F)F 1615600659 MGYDHCLCTNHVOW-CZUORRHYSA-N 322.399 4.560 30 20 DJED Cc1ccccc1[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 1644478434 JHQXBTCRAANBCP-SFHVURJKSA-N 318.464 4.786 30 20 DJED Cc1cccc(C)c1CCNc1nc(C(C)(C)C)ccc1C#N 1651619957 NYBHDQXPDMTVEI-UHFFFAOYSA-N 307.441 4.522 30 20 DJED Cc1cccc([C@@H]2CCN(c3nc(C(C)(C)C)ccc3C#N)C2)c1 1651736749 OYNVNWROGXYICI-GOSISDBHSA-N 319.452 4.553 30 20 DJED C[C@H]1CCc2c(F)cccc2[C@H]1Nc1nc(C#N)c(Cl)s1 1655211836 KPSMGPNYJQADRY-SDBXPKJASA-N 321.808 4.543 30 20 DJED N#Cc1ccc(CNCC2(c3cccc(Cl)c3)CCCC2)cc1 1656202285 RRRWWUOQYWXBQE-UHFFFAOYSA-N 324.855 4.813 30 20 DJED CC[C@H](NC(=O)Nc1scc(C)c1C#N)c1ccc(C)cc1 1671134376 PRCIEUPVGVIASJ-HNNXBMFYSA-N 313.426 4.509 30 20 DJED CCCCCCCCCC[C@@H](C)Nc1ncc(C(=O)O)cn1 1776785345 XSQRKWCXUXHTFE-CQSZACIVSA-N 307.438 4.506 30 20 DJED C=C[C@H](CC(=O)N1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 128198300 AYXJKDJNMBBWBX-UZLBHIALSA-N 323.411 4.849 30 20 DJED C=CCC[C@H](NCc1ccc(O[C@H](C)C#N)cc1)c1ccccc1 158827155 BUYSYRDJFSWHPJ-UTKZUKDTSA-N 320.436 4.775 30 20 DJED C=CCCCC(=O)Nc1cccc(NC(=O)c2ccccc2)c1C 175376005 MOONSNINSRRMGY-UHFFFAOYSA-N 322.408 4.542 30 20 DJED CC#CCCCC(=O)N(C)Cc1ccccc1-c1ccccc1 185394201 SRHHUUBGJZMGKZ-UHFFFAOYSA-N 305.421 4.506 30 20 DJED N#C[C@@H]1CC[C@H](N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1 293511837 IBHIDYVDYHJYBK-UNEWFSDZSA-N 322.374 4.577 30 20 DJED CC(C)c1ccc([C@@H](C)CC(=O)NC2(C#N)CCCCC2)cc1 303783145 SVOPQLFXZQTYOZ-INIZCTEOSA-N 312.457 4.646 30 20 DJED C[C@@H]1C[C@H](Nc2cccc(OCC#N)c2)C[C@H](c2ccccc2)C1 326810997 DFYBZWUICRJPGI-HQRMLTQVSA-N 320.436 4.973 30 20 DJED CC[C@@H](C)n1ncc(N=C(O)N(C)[C@H](C)C2CCCCC2)c1C 330431438 JCDJGIFWYXFTHB-ZIAGYGMSSA-N 320.481 4.609 30 20 DJED Cc1cc(OC(C)C)ccc1N[C@@H](C)c1ccc(OCC#N)cc1 391767505 BEXNKUIRQUCMIB-INIZCTEOSA-N 324.424 4.858 30 20 DJED CCc1cccc2c(C3CCN([C@@H](C)CCC#N)CC3)c[nH]c12 411190772 VDELFUNNKKYCIN-HNNXBMFYSA-N 309.457 4.602 30 20 DJED C=C(C)C(C)(C)C(=O)N1CC=C(c2cccc3ccccc23)C1 424781761 HZTMRDOAULVRFG-UHFFFAOYSA-N 305.421 4.668 30 20 DJED C=CCC(C)(C)c1nc(-c2ccc(Oc3cccnc3)cc2)no1 426418004 DPTVABVGPHOLKZ-UHFFFAOYSA-N 321.380 4.778 30 20 DJED Cc1ccc(CCCC(=O)Nc2ccc(C#N)cc2Cl)s1 430357961 PHTAAMCUFVLXEU-UHFFFAOYSA-N 318.829 4.543 30 20 DJED N#C[C@@H]1CC[C@@H](NCc2ccccc2-c2ccc(Cl)cc2)C1 442791869 OMZPNPDQZIWGCI-RDTXWAMCSA-N 310.828 4.789 30 20 DJED CC[C@H](NC1CCC(C)(C#N)CC1)c1ccccc1OC(F)F 449079405 YPRUAQRKRKGANT-DBQDNQAGSA-N 322.399 4.801 30 20 DJED C=CCC1(C(=O)N[C@@H](C)CCCC(F)(F)F)CCCCC1 451175353 JNZDILUIWSRGDM-ZDUSSCGKSA-N 305.384 4.750 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)C1=CC[C@@H](C)CC1 455508837 CXLASEYYELUTRT-KGLIPLIRSA-N 314.454 4.623 30 20 DJED CC#CCCCC(=O)NCCC(c1ccccc1)c1ccccc1 464565911 DCFRXHHPKMCRCN-UHFFFAOYSA-N 319.448 4.518 30 20 DJED C=CCCCCNC(=O)C[C@H](C)c1ccccc1C(F)(F)F 471707808 ZAPCRQYSBRFVEY-ZDUSSCGKSA-N 313.363 4.672 30 20 DJED CC[C@H](CC#N)NC(=O)Nc1cc(C)ccc1Oc1ccccc1 475001548 OUSJZQSANCUTQQ-OAHLLOKOSA-N 323.396 4.601 30 20 DJED C=CC1CCN(C(=O)N[C@@H](c2cccs2)C(CC)CC)CC1 476199158 KFKUXPDHJVXCCB-QGZVFWFLSA-N 320.502 4.833 30 20 DJED C=CCCCC(=O)N(CC)[C@@H](C)c1cccc(C(F)(F)F)c1 479553438 KOXFWBPFBYHZDU-ZDUSSCGKSA-N 313.363 4.971 30 20 DJED Cc1ccc(CSc2nc(C(F)(F)F)ccc2C#N)cc1 488815335 LGMBYEKJFALXCC-UHFFFAOYSA-N 308.328 4.573 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)CC1CCCC1 510033374 NVADHTCJWNUIAC-INIZCTEOSA-N 312.457 4.513 30 20 DJED CC(C)C[C@@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 524820351 JHHNBJRVEKOQLG-OXQOHEQNSA-N 320.436 4.565 30 20 DJED CC(C)[C@@H](NCc1ccc(C#N)cc1F)c1ccc(Cl)cc1 533448671 FELFSJGMIAGWHE-GOSISDBHSA-N 316.807 4.838 30 20 DJED CC[C@H](NCc1ccc(CC#N)cc1)c1ccc(Cl)s1 541626107 UCGVJNASYKHPCI-AWEZNQCLSA-N 304.846 4.708 30 20 DJED C[C@H](NC(=O)C1(C)CCC1)c1ccc(-c2cccc(C#N)c2)cc1 542932794 SEKOKFSJXMXZOO-HNNXBMFYSA-N 318.420 4.593 30 20 DJED CCC(CC)N(CC)C(=O)c1sc2ccc(C#N)cc2c1C 557064401 BZYJDEWKRDZCTP-UHFFFAOYSA-N 314.454 4.732 30 20 DJED CCC[C@@H](CC1CCCC1)C(=O)N1CCC(CCC#N)CC1 563188530 NHIICELSIGWLKM-SFHVURJKSA-N 304.478 4.525 30 20 DJED C=CC[C@H]1N(C(=O)c2cnc3ccsc3c2)CCCC1(C)C 571105143 CDTTXKLZHQINTD-MRXNPFEDSA-N 314.454 4.503 30 20 DJED N#CCCCCCC(=O)N(Cc1ccccc1)c1ccccc1 588818160 OKRCMJHVRMKATC-UHFFFAOYSA-N 306.409 4.694 30 20 DJED C=C(C)CN(CC)C(=O)Nc1cc(Cl)ccc1OCCC 591495750 FMZNZPMHSKQUKT-UHFFFAOYSA-N 310.825 4.559 30 20 DJED N#C[C@@H](Cc1ccccc1)Sc1cccc(Br)c1 609052840 DICZTPCURFKWNP-OAHLLOKOSA-N 318.239 4.676 30 20 DJED CCCCCC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609426848 MEAREHHGLRDMFG-UHFFFAOYSA-N 308.381 4.869 30 20 DJED C[C@@H](C(=O)Nc1cc(C(C)(C)C)sc1C#N)C1CCCC1 611359813 UWAXRXRNAZLFOB-LLVKDONJSA-N 304.459 4.682 30 20 DJED Cc1ccc(/C=C\C(=O)c2cnn(-c3ccccc3)c2C)cc1F 731490417 WVXRYOJXHGISBS-KHPPLWFESA-N 320.367 4.524 30 20 DJED C=CC1CCN(Cc2cc3oc4ccccc4c3cc2O)CC1 732181198 NDAWRJIFVOAYBG-UHFFFAOYSA-N 307.393 4.690 30 20 DJED C=CCCCCCN(C)C(=O)Nc1cccc(-n2cccc2)c1 740449352 XRHDDTKUWBRQCJ-UHFFFAOYSA-N 311.429 4.687 30 20 DJED CCc1ccc(/C=C\C(=O)c2c(Cl)nc3sccn23)cc1 741849412 UTBIEGPKNSDOOA-FPLPWBNLSA-N 316.813 4.508 30 20 DJED C=CC[C@H](NC(=O)CCC(C)(C)c1ccccc1)c1ccncc1 754037489 ZYXCCNMUCGEYOU-IBGZPJMESA-N 322.452 4.573 30 20 DJED CCOc1cc(/C=C/C(=O)c2cc3ccc(C)cc3o2)ccc1O 754828108 CWMYUMJACFAURR-RMKNXTFCSA-N 322.360 4.742 30 20 DJED COc1ccc(Cl)cc1C(=O)/C=C\c1cnc(Cl)c(C)c1 760261441 BYHYLXQZXAWXQX-HYXAFXHYSA-N 322.191 4.602 30 20 DJED O=C(/C=C/c1ccc(C(F)(F)F)s1)c1cccc(F)c1 761475244 OERNYBAEHKQBRW-GQCTYLIASA-N 300.276 4.802 30 20 DJED CSCc1cccc(N[C@H](C)c2ccc(OCC#N)cc2)c1 777687515 JVMCMGBIZDOKBQ-CQSZACIVSA-N 312.438 4.625 30 20 DJED CC(C)(C)C[C@H](/N=C/c1cc2ccccc2nc1O)C(F)(F)F 777873033 GHSCJSWEZYYWJI-MNUWJXFPSA-N 324.346 4.726 30 20 DJED C[C@@H](C#N)CSc1ccccc1NCc1ccc2c(c1)COC2 777932876 CPKFDDFIUSXEEF-AWEZNQCLSA-N 324.449 4.581 30 20 DJED C#CC[C@@H](NCc1ccc(Oc2ccccc2)o1)c1ccccc1 779982528 ZVRMJPJFUIFICC-HXUWFJFHSA-N 317.388 4.926 30 20 DJED C/C=C(/CC)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 789642520 XPEHJKSMOFZRCM-CQPUUCJISA-N 306.365 4.645 30 20 DJED CC(C)N(C)c1ccc(/C=C\C(=O)c2csc(Cl)c2)cn1 790228089 MKOGTECEMQSABK-XQRVVYSFSA-N 320.845 4.537 30 20 DJED Cc1sc(NC(=O)c2ccccc2CC(C)C)c(C#N)c1C 792526982 IBLPEGXNTIAPHK-UHFFFAOYSA-N 312.438 4.687 30 20 DJED C=CCCC[C@@H](C)NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 801689432 LIXAISRKAXEORC-RISCZKNCSA-N 317.326 4.577 30 20 DJED C=CCCCCCCNC(=O)[C@@H](C)Cc1cncc2ccccc12 805222182 UADLLDAQZZKESZ-KRWDZBQOSA-N 324.468 4.666 30 20 DJED C[C@H](NCC(C)(C)CCC#N)c1cc(Cl)c(N)c(Cl)c1 806176976 QTCQFXRVSSJOEM-JTQLQIEISA-N 314.260 4.556 30 20 DJED C[C@H]1/C(=C\c2cnc(-c3ccco3)s2)C(=O)c2ccccc21 809156429 LHDRKZPNACAXOP-BTAWCLGRSA-N 307.374 4.787 30 20 DJED C=CCCCCCCN[C@H](C)c1ccc(Br)nc1 810239754 GSWAYGBIKGZXKN-CYBMUJFWSA-N 311.267 4.631 30 20 DJED O=C(/C=C\c1ccc2oncc2c1)c1cccc(C(F)(F)F)c1 821028499 SSUCPVADXXXVBU-XQRVVYSFSA-N 317.266 4.743 30 20 DJED CCC(C#N)(CC)C(=O)OCC[C@H](C)c1c[nH]c2ccccc12 860712258 QGAGTMDBWNTOHI-AWEZNQCLSA-N 312.413 4.535 30 20 DJED CC[C@H](Nc1cccc2c1OCC[C@@H]2OC)c1cccc(C#N)c1 902976676 URNQTGFMGZVWOY-HKUYNNGSSA-N 322.408 4.591 30 20 DJED CCCCCCCC(=O)N1CCCCC[C@H]1c1cccn1C 912999396 JEDIJWLFIJITIN-SFHVURJKSA-N 304.478 4.829 30 20 DJED CC(C)Oc1ccc(C(=O)/C=C/c2ccc(F)cc2F)cc1 916131573 ZDZGVDKZJHBUCB-UXBLZVDNSA-N 302.320 4.648 30 20 DJED Clc1cc(Cl)c(NN=C/C=C/c2ccco2)nc1Cl 920366569 VWNWUEPAIHOIQM-IXCFUPSMSA-N 316.575 4.746 30 20 DJED N#CCCCCN[C@@H](Cc1ccc(F)cc1Cl)c1ccco1 924942021 KZMNBCKENKATOM-INIZCTEOSA-N 320.795 4.639 30 20 DJED CC(C)Cc1ccc([C@@H](NC(=O)CC(C)(C)C#N)C(C)C)cc1 1124491724 RZNXCTHMNMNURH-IBGZPJMESA-N 314.473 4.638 30 20 DJED CCc1nc(S[C@@H](C#N)Cc2ccc(C)cc2)sc1C 1166468094 VFNNXPJOCVGIHH-CQSZACIVSA-N 302.468 4.549 30 20 DJED CC(C)c1cccc2c1N(Cc1ccc(CC#N)cc1)CCC2 1171209228 YFXSXGMMSORIFN-UHFFFAOYSA-N 304.437 4.829 30 20 DJED Cc1ccc(NC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)cc1 1205448451 IYCFLPGZVHQMSX-UHFFFAOYSA-N 323.396 4.688 30 20 DJED CC[C@@H]1CCCC[C@@H]1C(=O)N(CC(C)C)c1ccc(C#N)cc1 1264413349 XUGJYLCZKZQVLE-MJGOQNOKSA-N 312.457 4.764 30 20 DJED N#Cc1cnc(Oc2cccc(Oc3ccccc3)c2)c(F)c1 1306915608 HWAANEQJHNQJPJ-UHFFFAOYSA-N 306.296 4.677 30 20 DJED N#Cc1ccc(NC(=O)c2cc3cccc(Cl)c3s2)cc1 1348469616 WZBAUEOMOILWBK-UHFFFAOYSA-N 312.781 4.679 30 20 DJED N#C[C@@]1(C(=O)OCc2ccc(Cl)cc2Cl)CC12CCCC2 1435382230 IGYGCYBMUAJOER-MRXNPFEDSA-N 324.207 4.511 30 20 DJED Cc1ccc(CSc2nc(C)c(C#N)cc2Cl)cc1C 1458266881 PYXZGWSHJKKQSW-UHFFFAOYSA-N 302.830 4.824 30 20 DJED N#Cc1ccccc1CSc1nc2ccc(F)cc2s1 1459253736 ZLEGXRVIBPPCMO-UHFFFAOYSA-N 300.383 4.599 30 20 DJED N#Cc1ccc(F)c(NC(=O)c2ccccc2-c2ccccc2)c1 1460784201 AEVGQIRFWZJUQY-UHFFFAOYSA-N 316.335 4.617 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1cc(Cl)cs1 1461563968 IRRHCJUKZKFBAU-UHFFFAOYSA-N 306.818 4.672 30 20 DJED CC(C)[C@H](CCc1ccccc1)C(=O)Nc1cccc(CC#N)c1 1525933903 MRGRDWHKHMECFJ-FQEVSTJZSA-N 320.436 4.596 30 20 DJED CC(C)Cc1ccc([C@H](C)C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1 1528080781 KFPUFFWGCIOAFQ-KVSKMBFKSA-N 313.441 4.614 30 20 DJED CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 1535626846 MIIHFYWQSQUOMQ-DNVCBOLYSA-N 320.392 4.725 30 20 DJED Cc1c(C(=O)O[C@H]2CCC[C@H](C#N)C2)sc2ccc(F)cc12 1583559262 ITVHQYSMADRMMK-AAEUAGOBSA-N 317.385 4.588 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)C[C@@H](C)C3CC3)c2C#N)[C@H](C)C1 1583688961 CASMPQSCWMEHFK-QJPTWQEYSA-N 316.470 4.680 30 20 DJED Cc1c(Cl)cnc(NCC2(C)CCC(C)(C)CC2)c1C#N 1640036337 UHCVOZINHGXLMP-UHFFFAOYSA-N 305.853 4.934 30 20 DJED CC[C@H](Cc1ccccc1)N(CC)Cc1ccc(F)c(C#N)c1 1644919111 BXQFBQMVHRRPAI-LJQANCHMSA-N 310.416 4.541 30 20 DJED COc1cc(CNCC2CC(C)(C)CC(C)(C)C2)ccc1C#N 1651302926 OMWDTENBCPNLLF-UHFFFAOYSA-N 314.473 4.509 30 20 DJED C=C(Cl)CNC(=O)Nc1ccc(SC2CCCC2)cc1 1660069222 LQTIFXFENNWXFS-UHFFFAOYSA-N 310.850 4.595 30 20 DJED CCC(CC)(CN[C@H](C)CC(C)(C)C#N)c1ccc(F)cc1 1660339080 DBNVVCSJJLWSSO-OAHLLOKOSA-N 304.453 4.801 30 20 DJED CC(=NNc1cccc(C(=O)O)c1)c1cc2cc(C)c(C)cc2o1 1776036829 BJTQEWDXIMKHNZ-UHFFFAOYSA-N 322.364 4.584 30 20 DJED CCC[C@H](C=NNc1cccc(C(=O)O)c1C)c1ccccc1 1776087091 IECDKEGHQSMVNO-MRXNPFEDSA-N 310.397 4.675 30 20 DJED CCC(=NNc1cccc(C(=O)O)c1C)[C@@H](C)Cc1ccccc1 1776089246 JCNNJQBLGNARPJ-AWEZNQCLSA-N 324.424 4.750 30 20 DJED CCCC[C@@H](CC)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 6042839 XPMQDHHMZRBEFN-CHWSQXEVSA-N 318.486 4.899 30 20 DJED Cc1ccc(/C=C\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 33475683 LLHDQQJFGVVDGI-ALCCZGGFSA-N 307.758 4.514 30 20 DJED CCCc1sc(C(=O)[C@H](C#N)c2nc(C)cs2)cc1CC 41521566 CMMPYUGVPSJSKK-LBPRGKRZSA-N 318.467 4.518 30 20 DJED C[C@@H](N[C@H](C)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 78973432 BYUZEEHXYUNOMJ-CHWSQXEVSA-N 318.342 4.989 30 20 DJED Cc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 127612027 OMSJVECQLCBWNP-ZDUSSCGKSA-N 318.829 4.718 30 20 DJED Cc1cnc([C@H](C)Nc2ccc(C(F)(F)F)cc2C#N)s1 135189939 FLKLRKNBKXAINI-VIFPVBQESA-N 311.332 4.515 30 20 DJED Cc1cscc1NC(=O)c1ccccc1-c1ccccc1C#N 151166534 XMNPABAHKFAZHC-UHFFFAOYSA-N 318.401 4.848 30 20 DJED C[C@@H](C#N)Oc1ccc(CNc2ccc3ccccc3c2)cc1 155601306 JELDMKOHMPHQMM-HNNXBMFYSA-N 302.377 4.743 30 20 DJED C[C@H](C#N)CSc1ccccc1NCCc1cccs1 155983888 YXVPCOQKOCPLAM-CYBMUJFWSA-N 302.468 4.654 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 176932104 UFKARXQDKLXFOW-QGZVFWFLSA-N 303.833 4.772 30 20 DJED N#Cc1csc(CNCc2ccccc2Oc2ccccc2)c1 177692753 DGAMHACRYYFKOL-UHFFFAOYSA-N 320.417 4.702 30 20 DJED C[C@@H](CCC#N)Sc1nc(-c2ccco2)nc2ccccc12 188284131 LHUHGFPMDFWBJS-LBPRGKRZSA-N 309.394 4.674 30 20 DJED C[C@H](Oc1ccc(C#N)c(Cl)c1)c1ncc(C(C)(C)C)o1 190276666 XYAPEVNYIWYVPP-JTQLQIEISA-N 304.777 4.637 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1cnn(-c2ccccc2)c1C(C)C 191531493 KWRCWRIZMIRCML-LJQANCHMSA-N 311.429 4.537 30 20 DJED CC(C)(C)c1cc(CNCCCCC#N)c(O)c(C(C)(C)C)c1 236742709 DAKMCVVVQPDFEO-UHFFFAOYSA-N 316.489 4.771 30 20 DJED C[C@@H](ON=Cc1ccccc1F)c1ncc(-c2ccccc2)o1 255299778 XGIBLISXZNBAEP-CYBMUJFWSA-N 310.328 4.592 30 20 DJED Cc1cc2cc[nH]c2cc1NC(=O)C[C@H](CC#N)c1ccccc1 356945355 WOWZBTMXVBOBLJ-INIZCTEOSA-N 317.392 4.502 30 20 DJED C=CCSCCN[C@H](C)c1csc(-c2csc(C)n2)c1 358031820 ZGJDMCDSAPSCCA-LLVKDONJSA-N 324.540 4.750 30 20 DJED Cc1ccc2c(c1)[C@H](N[C@H]1CCc3ccc(C#N)cc31)CCC2 426287933 HNXDRDKDGLVHES-RTWAWAEBSA-N 302.421 4.521 30 20 DJED Cc1ccc(CCCC(=O)Nc2sc(C)c(C)c2C#N)s1 429941056 JOPNYWZPFCPRMJ-UHFFFAOYSA-N 318.467 4.568 30 20 DJED C[C@H](CCC(C)(C)C)NC(=O)N[C@@H](CCC#N)c1ccccc1 438861268 SSGQVWXSSRXCKY-WBVHZDCISA-N 315.461 4.545 30 20 DJED CC(C)[C@@H]1N(C(=O)c2ccc(C(C)(C)C#N)cc2)CC12CCCC2 457144353 MXCHCZXWDZGRAW-SFHVURJKSA-N 324.468 4.529 30 20 DJED CC#CCCCC(=O)N(CCC)[C@H](C)c1cc2ccccc2o1 464447947 UKJDSZDSAJNSKT-MRXNPFEDSA-N 311.425 4.926 30 20 DJED Cc1coc2ccc(NC(=O)C[C@H](CC#N)c3ccccc3)cc12 476813849 HNUAHGTWMJMZSA-INIZCTEOSA-N 318.376 4.767 30 20 DJED C=C(C)CN(C)C(=O)c1cc(C)c(-c2ccc(F)cc2)s1 479221998 UDTWREZJXCZXTC-UHFFFAOYSA-N 303.402 4.511 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1cccc(OCC)c1 485409812 VYIRJYXIJGVNFJ-UHFFFAOYSA-N 316.445 4.686 30 20 DJED CN(C(=O)c1ccc(C2CCC2)cc1)c1cc(Cl)ccc1C#N 485760874 UQHBCNLWNOLLGJ-UHFFFAOYSA-N 324.811 4.756 30 20 DJED CC(=O)c1ccc2cc(Oc3ccc(Cl)c(C#N)n3)ccc2c1 486971522 OGZVZUPOTRBSRM-UHFFFAOYSA-N 322.751 4.755 30 20 DJED N#Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)s1 514744419 YTDVPPXUSFMJMB-BJWYYQGGSA-N 308.450 4.530 30 20 DJED CCCc1cc(C(=O)N(CCC#N)CC(CC)CC)sc1C 552507567 LMXYESRGUPVUFZ-UHFFFAOYSA-N 320.502 4.801 30 20 DJED C=CCN(CCC#N)C(=O)c1ccc(-c2cccc(C(C)C)c2)o1 553101991 RNVIRFLTGUTNDA-UHFFFAOYSA-N 322.408 4.612 30 20 DJED CSc1ccc2c(c1)[C@H](NCC(C)(C)CCC#N)CCC2 567869915 MKLUKDGGWKPRBE-QGZVFWFLSA-N 302.487 4.705 30 20 DJED CC(C)(C#N)CCSc1nccn1-c1cccc(Cl)c1 610166854 SVKZVXHJYBLDTG-UHFFFAOYSA-N 305.834 4.558 30 20 DJED COc1ccc(/C=C\c2nc(-c3ccccc3)cs2)cc1C#N 610218443 OKHHESCPGPTCLV-NTMALXAHSA-N 318.401 4.861 30 20 DJED CCc1c(N[C@@H](CC)c2ccc(C#N)cc2)cnn1CC(C)C 618574778 LQMVBLWSXNCVOQ-KRWDZBQOSA-N 310.445 4.536 30 20 DJED C=CCCN[C@H](CC(F)(F)F)c1ccc(Br)cc1 680432348 CTFSUBDBIANGNM-GFCCVEGCSA-N 322.168 4.608 30 20 DJED CC(C)CC(CC(C)C)NCc1ccc(O[C@@H](C)C#N)cc1 728781909 IQSLDGFQQIPLEE-INIZCTEOSA-N 302.462 4.528 30 20 DJED C[C@H](C#N)CSc1ccccc1NC[C@@H]1CC1(Cl)Cl 731027924 CIWSCBGACVJTTE-MNOVXSKESA-N 315.269 4.544 30 20 DJED Cc1c(Cl)cccc1N=C1SCCN1C(=O)[C@@H](C)C(C)C 733088998 WMHDBYDMZLOVDE-NSHDSACASA-N 324.877 4.503 30 20 DJED CCCOc1ccc(/C=C/C(=O)c2sccc2C)cc1OC 733749372 LYCBWVBJJHRILG-FNORWQNLSA-N 316.422 4.750 30 20 DJED C=CCCOC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1 740179286 ROTVTNTUBCUDQK-UHFFFAOYSA-N 315.438 4.595 30 20 DJED FC(F)Oc1ccccc1C=NNc1cccc2ccccc12 747060102 HLWKVYKZFPUXLA-UHFFFAOYSA-N 312.319 4.887 30 20 DJED O=C1/C(=C/c2nc(-c3ccccc3)cs2)Cc2ccc(F)cc21 749005963 PBLDXFWCJIVWEW-NTEUORMPSA-N 321.376 4.772 30 20 DJED C[C@@H](C#N)Oc1ccc(CN2CCC[C@H]2C2CCCCC2)cc1 768319414 NWLPZEIWENVWSN-JXFKEZNVSA-N 312.457 4.522 30 20 DJED CCO[C@@H](C/N=C/c1c(O)ccc2ccccc12)c1ccccc1 772154660 KUISXCKOUMQCGB-PIUNUONSSA-N 319.404 4.742 30 20 DJED CC(C)Oc1ccc(N[C@H](C)CCCC(F)(F)F)cc1C#N 775967705 BLDGCAVYNFYLEL-GFCCVEGCSA-N 314.351 4.878 30 20 DJED CC(C)[C@@H](CC(=O)OCCCC(C)(C)C#N)c1ccccc1 783462477 VLIJGCAXQFWHSI-QGZVFWFLSA-N 301.430 4.689 30 20 DJED Cc1cc(C(=O)/C=C\c2cccc(C(=O)O)c2Cl)c(C)s1 787169919 SDHRFFALSOQASL-SREVYHEPSA-N 320.797 4.613 30 20 DJED CC(=NNc1ncccc1F)c1ccc(SC(C)C)cc1 794981069 TWLYYWPGTAWYNO-UHFFFAOYSA-N 303.406 4.557 30 20 DJED Cc1ccc(C(=O)/C=C\c2c(C)nc3sc(C)cn23)c(C)c1 797110115 UTSSIDBRMFZLMI-FPLPWBNLSA-N 310.422 4.526 30 20 DJED C=CC[C@H](CC)NC(=O)c1sccc1-c1ccc(F)cc1 798551259 PGEWXRWZZORLCH-AWEZNQCLSA-N 303.402 4.639 30 20 DJED N#CCCCCCC(=O)Nc1cccc(COc2ccccc2)c1 805166630 MGSUZVCZYGLTEF-UHFFFAOYSA-N 322.408 4.678 30 20 DJED CCC(=NNc1ncnc(Cl)c1C(C)C)c1ccsc1 834975579 OWRBETWENSJZHM-UHFFFAOYSA-N 308.838 4.541 30 20 DJED CC(=NNc1ccc(Cl)nn1)c1ccc(-c2ccccc2)cc1 916287954 KCFPXAICBASJKH-UHFFFAOYSA-N 322.799 4.633 30 20 DJED CC(=NNc1cc(C)c2ccc(C)c(C)c2n1)c1ccccc1O 916543819 WEJNYMAURCAGBX-UHFFFAOYSA-N 319.408 4.702 30 20 DJED Cc1ccc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)cc1C#N 1127193852 FTKVMAVVHQEQKD-HXUWFJFHSA-N 324.468 4.832 30 20 DJED C[C@H]1C[C@H](CCNc2ccc(Cl)c(C#N)n2)CC(C)(C)C1 1163192186 SRJXIVPLWYWAHT-STQMWFEESA-N 305.853 4.871 30 20 DJED N#Cc1cc(Cl)ccc1CN[C@H]1CCC[C@H]1Cc1ccccc1 1169364760 FMBYBPGVUUZFQM-JXFKEZNVSA-N 324.855 4.713 30 20 DJED CCCCN(Cc1ccccc1F)c1ccc(Cl)c(C#N)n1 1185203961 KNSOKALZIZJBDY-UHFFFAOYSA-N 317.795 4.552 30 20 DJED CC[C@@H](CSc1nc2c(c(C)c1C#N)CCC2)CC(F)F 1188400387 ITGNFPAOLYVTRD-LLVKDONJSA-N 310.413 4.524 30 20 DJED CCCc1c(N[C@@H]2CCC[C@@H](C#N)C2)cnn1-c1ccc(C)cc1 1205405391 HXLYDWAEQGFWSU-IAGOWNOFSA-N 322.456 4.628 30 20 DJED C[C@@H](c1ccccc1)[C@@H](C)Nc1nc(C(F)(F)F)ccc1C#N 1306987117 WAFDIUKHRRVWEC-VXGBXAGGSA-N 319.330 4.576 30 20 DJED C=CC(C)(C)c1nnc(CCCOc2ccc(Cl)cc2C)o1 1326999193 LDLZGPDBCNIUJC-UHFFFAOYSA-N 320.820 4.507 30 20 DJED CCC[C@H](CC(C)C)C(=O)Nc1sc2c(c1C#N)CCCC2 1348364270 AKXVWMIHHMPRQT-CYBMUJFWSA-N 318.486 4.899 30 20 DJED Cc1cc(CNC2CCC(C)(c3ccccc3)CC2)ccc1C#N 1461347625 SSUDYLCDNZTACI-UHFFFAOYSA-N 318.464 4.857 30 20 DJED CC(C)CC(CC(C)C)C(=O)Nc1ccc(Cl)c(C#N)c1 1523658691 NCNOIEJAVPPXQQ-UHFFFAOYSA-N 306.837 4.859 30 20 DJED CCCC[C@H](C(=O)Nc1cc(C#N)c2ccccc2n1)C(C)C 1525446566 DJZKWCIUMQDBEL-HNNXBMFYSA-N 309.413 4.507 30 20 DJED Cc1c(C#N)cccc1C(=O)O[C@@H](C)c1oc2ccccc2c1C 1538521228 KBULTMWQWGTAHW-AWEZNQCLSA-N 319.360 4.839 30 20 DJED C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C(C)(C)C 1539409430 ASGRRQJZMDSTIP-AWEZNQCLSA-N 322.408 4.971 30 20 DJED C=C(Cl)CNC(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1 1562532960 XVASRKBZBICHTE-UHFFFAOYSA-N 322.742 4.506 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)[C@H]2C[C@H]2c2cccc3ccccc23)C1 1584702986 LTBFRQLFMHQPSY-VTCANLHHSA-N 319.404 4.569 30 20 DJED N#CC1(CCN2CCC[C@H]2c2ccc(F)c(F)c2)CCCCC1 1615535770 NCIUBWJDPOAYGZ-SFHVURJKSA-N 318.411 4.966 30 20 DJED N#Cc1cccc(CN2C[C@H](c3ccccc3)c3ccccc32)c1 1617612292 XTBYETVBKLDZCA-OAQYLSRUSA-N 310.400 4.710 30 20 DJED CCc1ccc(C2=CCN(Cc3ccc(C#N)cc3F)CC2)cc1 1621241488 VTCDNROWMSOWPM-UHFFFAOYSA-N 320.411 4.549 30 20 DJED C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)c1cccc(C#N)n1 1639543872 PWIXKXHQOREYBE-INIZCTEOSA-N 313.404 4.818 30 20 DJED Cc1nc(N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)ccc1C#N 1655231826 MKXNAAZVGXGKRC-JSGCOSHPSA-N 313.832 4.544 30 20 DJED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1OCc1ccccc1 1658095602 FHGFFUFBCBZHPE-UHOSZYNNSA-N 320.436 4.608 30 20 DJED CCOc1ccc(Cl)cc1CN(CCC#N)CC(CC)CC 1663722369 ZNTKAZPBJDKLDP-UHFFFAOYSA-N 322.880 4.891 30 20 DJED CC(C)CC1(CNC(=O)Nc2ccc(C#N)cc2Cl)CCC1 1669349816 CIQHUHJWZBXGJF-UHFFFAOYSA-N 319.836 4.550 30 20 DJED CC(=NNc1cccc(C(=O)O)c1C)c1cc2ccc(C)cc2o1 1776087745 SZFQVXHOMPKGGA-UHFFFAOYSA-N 322.364 4.584 30 20 DJED CC(C)Sc1ccccc1C(=O)N[C@H](C)c1ccc(C#N)cc1 45418075 LNDKUZZIRSOEOE-CQSZACIVSA-N 324.449 4.550 30 20 DJED CC[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(N(C)C)cc1 90665338 JOLIQPQOLGHCKC-RTWAWAEBSA-N 321.468 4.838 30 20 DJED CCCCCCC(=O)Nc1ccccc1SC[C@@H](C)C#N 108240183 ICKODFDAZLBQLL-AWEZNQCLSA-N 304.459 4.847 30 20 DJED N#CCC[C@@H](N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 128149910 WCEVBJFKEQVECO-ARFHVFGLSA-N 310.363 4.742 30 20 DJED CCC(=CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)CC 151699522 WPRILWXTOVDSQE-HNNXBMFYSA-N 310.422 4.733 30 20 DJED Cc1cc(NCCCC(C)(C)C#N)ccc1OCC(F)(F)F 154058802 JJCIXOQBPBYXOT-UHFFFAOYSA-N 314.351 4.678 30 20 DJED Cc1cccc(C(=O)/C=C\c2cccc(OCCCC#N)c2)c1 255420323 KNXJKJOOJIYQDB-KHPPLWFESA-N 305.377 4.574 30 20 DJED CC(C)Oc1ccccc1C=NOCc1cccc2cccnc12 255423517 HFXCNZMXCUVPAE-UHFFFAOYSA-N 320.392 4.573 30 20 DJED COc1ccccc1-c1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 274629040 OMLMQHMZOWETFJ-TXPKVOOTSA-N 320.436 4.705 30 20 DJED CC(C)CC[C@@H](Nc1ccc(C#N)nn1)c1ccc(Cl)cc1 301918277 JQFWAGMLIQQFJL-MRXNPFEDSA-N 314.820 4.591 30 20 DJED Cc1ccc([C@H]2CCCCN2c2snc(Cl)c2C#N)cc1 301968965 ZMENUTSSFNRTFU-CQSZACIVSA-N 317.845 4.708 30 20 DJED Cc1ccccc1[C@H](C)CC(=O)Nc1ccc(C(C)(C)C#N)cc1 303639141 HCJSSJJJTPASQA-MRXNPFEDSA-N 320.436 4.929 30 20 DJED CC(C)c1ccc2c(c1)[C@H](/N=C(/O)c1ncoc1C1CC1)CC2 329079127 QTCHGLUMOPPRIC-MRXNPFEDSA-N 310.397 4.668 30 20 DJED OC(CC1CCCCC1)=Nc1csc(-c2ccncc2)n1 329625761 OPZPKAIXOBOPHE-UHFFFAOYSA-N 301.415 4.764 30 20 DJED CCC(CC)[C@@H]1C[C@@H](/N=C(/O)c2cc(C(C)C)oc2C)CCO1 330596992 DJTQIDWZLYCDQY-YJBOKZPZSA-N 321.461 5.000 30 20 DJED CC[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(C#N)cc1Cl 426153838 PICSUVOCQSFNMX-BBRMVZONSA-N 319.836 4.644 30 20 DJED CCC(CC)(CC)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 437907115 JEQCZRSSNCRDNU-UHFFFAOYSA-N 301.434 4.578 30 20 DJED CCCCN(CCCC)C(=O)N[C@H](CCC#N)c1ccccc1 440235764 DWGLDKDCMSXZRK-GOSISDBHSA-N 315.461 4.643 30 20 DJED N#CCc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)c(Cl)c1 452645166 NOPVRVUBSUMRGL-LSDHHAIUSA-N 316.832 4.561 30 20 DJED Cc1ccc([C@H](C)c2noc([C@@H](C)c3cccc(C#N)c3)n2)cc1 463044704 UAZAXLKCWXVSGL-GJZGRUSLSA-N 317.392 4.553 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1cc(Br)ccc1Cl 468000524 PDKPXNKWNHGEDA-ZDUSSCGKSA-N 316.626 4.643 30 20 DJED C=CC[C@@H]1N(C(=O)c2cccc(C(F)F)c2)CCCC1(C)C 470270348 IPDUMWJSCYLHOX-HNNXBMFYSA-N 307.384 4.831 30 20 DJED N#CC[C@@H](CC(=O)Nc1ccc(Cl)c(F)c1)c1ccccc1 474895380 HMZBTGCVLFQLKG-ZDUSSCGKSA-N 316.763 4.505 30 20 DJED CN(C(=O)C[C@@H](CC#N)c1ccccc1)C1CCC(C)(C)CC1 476265206 OCIBJEIYAXYCBL-QGZVFWFLSA-N 312.457 4.501 30 20 DJED Cc1cc(C)c2cc(CN[C@H](C)c3ccc(C#N)cc3)[nH]c2c1 479564450 GXEKKLBXJMFTPY-OAHLLOKOSA-N 303.409 4.507 30 20 DJED N#CC1(CSCc2cc(Cl)ccc2OCC2CC2)CC1 479608268 OBUAYWPKSYWOJN-UHFFFAOYSA-N 307.846 4.666 30 20 DJED C=CCCO[C@H](C)c1nc(-c2ccc(C(C)(C)C)cc2)no1 485847213 OUAWSCUHBQNXAN-CYBMUJFWSA-N 300.402 4.688 30 20 DJED Fc1ccc([C@H](NCCCCC(F)(F)F)C(F)(F)F)cc1 488172228 AQVRGVHLTVOXED-NSHDSACASA-N 317.248 4.751 30 20 DJED CN(Cc1cc(C#N)cs1)Cc1c(Cl)cccc1Cl 507133019 RPOJHOOBBKMQMK-UHFFFAOYSA-N 311.237 4.559 30 20 DJED C=CCN(Cc1ccccc1)Cc1cccc(OCCCC#N)c1 508529762 DCFCVSMBIXJBCD-UHFFFAOYSA-N 320.436 4.557 30 20 DJED C[C@H](OCCCNc1cccc(Cl)c1C#N)c1ccccc1 514518443 OHQNRUPNEYEXDQ-AWEZNQCLSA-N 314.816 4.791 30 20 DJED C=CCCC(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 518924163 RCZJOSWBWOROJP-UHFFFAOYSA-N 315.800 4.824 30 20 DJED C=CC1CCN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 524660987 CHVOJMNUNZGZFZ-CVEARBPZSA-N 324.251 4.522 30 20 DJED CC(C)c1ccc([C@@H]2CCCN2CCCSCC#N)cc1 534728325 KYVUSLMZHOCHTB-SFHVURJKSA-N 302.487 4.594 30 20 DJED C=C1CCN(C(=O)c2ccc(CSc3ccccc3)cc2)CC1 594859992 KQIIJOBCOGTQNX-UHFFFAOYSA-N 323.461 4.771 30 20 DJED Cc1ccc(-c2nc(CSCC3(CC#N)CC3)cs2)o1 596332073 IRTHUQWGBGCKJE-UHFFFAOYSA-N 304.440 4.639 30 20 DJED C[C@@H](CCC#N)CN[C@@H](c1ccc(F)cc1)c1cccs1 602501272 DYCGYPKTAOBIDD-GUYCJALGSA-N 302.418 4.506 30 20 DJED C[C@@H](C(=O)Nc1cccc(C#N)c1)c1c(Cl)cccc1Cl 604566731 IKPZITBXLFAGFN-SNVBAGLBSA-N 319.191 4.607 30 20 DJED C=CC[C@@H](C)NCc1cc(Cl)c(OCCC)c(OCC)c1 604892983 VXHVSPWFKWBMHD-CYBMUJFWSA-N 311.853 4.582 30 20 DJED CCCc1ccc(C(=O)/C=C\c2c(Cl)nc(Cl)n2C)cc1 728440467 YEDCCGLENFXBSY-KTKRTIGZSA-N 323.223 4.576 30 20 DJED Cc1cc(C)c(C(=O)/C=C/c2ccc(O[C@H](C)C#N)cc2)cc1C 728695808 HOBYYSOAIOAAOW-PYUISTEWSA-N 319.404 4.799 30 20 DJED CCc1cccc(NC(=S)N(CCC#N)CC(CC)CC)c1 729642209 HHIRLIWINXRIRA-UHFFFAOYSA-N 317.502 4.598 30 20 DJED CCCCCCCC(=O)N1[C@@H](C)[C@H](c2ccccc2)OC[C@H]1C 731889491 DKPMTTDTVWOQAL-FUHIMQAGSA-N 317.473 4.724 30 20 DJED CC[C@H](C)OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732498229 UUQLHWFPEMXZJB-AWEZNQCLSA-N 309.365 4.500 30 20 DJED CC(=NNc1cccc(C(=O)O)c1)c1cccc(Cl)c1Cl 734976540 DCOCORYXIKWQNW-UHFFFAOYSA-N 323.179 4.528 30 20 DJED O=C(/C=C/c1cccc(Oc2ccccc2)c1)c1cncc(F)c1 737445987 JYLBNGQSAJOFEU-MDZDMXLPSA-N 319.335 4.909 30 20 DJED CO[C@@H](C/N=C\c1cc(Cl)ccc1O)c1ccc(Cl)cc1 741758981 VGYRSMXQBSVLHJ-SCPBCGJWSA-N 324.207 4.506 30 20 DJED CC(C)Oc1ccccc1/C=C1\CCc2cc(C#N)ccc2C1=O 742438584 ZLKZFJXZKZDDJH-LDADJPATSA-N 317.388 4.558 30 20 DJED FC(F)(F)c1ccccc1NN=C[C@@H]1CCOc2ccccc21 752158121 VHAYJIKWKMHYPC-LBPRGKRZSA-N 320.314 4.669 30 20 DJED C#CC[C@@H](NCc1ccc(F)c(C(F)(F)F)c1)c1ccccc1 756996072 NGWITOXQQHODBG-QGZVFWFLSA-N 321.317 4.699 30 20 DJED N#CC1(C(=O)O[C@@H]2CCc3c(Cl)cc(Cl)cc32)CCCC1 759606796 SJJQBKZWHVPJBD-CQSZACIVSA-N 324.207 4.608 30 20 DJED COc1ccc(N=Cc2cc(Cl)ccc2O)cc1OC(C)C 761014888 HNAHJXWPJUOSSG-UHFFFAOYSA-N 319.788 4.592 30 20 DJED Cc1ccc([C@H](C)N(C)Cc2ccc(N(C)CCC#N)cc2)cc1 768262346 IYSCFGTYKWHQMU-SFHVURJKSA-N 321.468 4.538 30 20 DJED Cc1ccc(-c2ncc(/C=C\C(=O)c3occc3C)s2)cc1 769784410 UODIRTKAYFCWMW-FPLPWBNLSA-N 309.390 4.916 30 20 DJED CCCCC[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccccc1 775318685 KNKYMMREUDHMJN-SFTDATJTSA-N 322.452 4.503 30 20 DJED CCCCC[C@@H](CC)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 775792114 TWYDJEMCHPVBKF-GOSISDBHSA-N 324.468 4.780 30 20 DJED CCc1nc2cc(N[C@@H](C)c3ccc(C#N)c(F)c3)ccc2o1 776844677 QENAQOZUDRWQDF-NSHDSACASA-N 309.344 4.574 30 20 DJED C=CCC[C@@H](C(=O)OCc1ncc(Cl)s1)c1ccccc1 778552821 QTERURFHENKJGS-CYBMUJFWSA-N 321.829 4.590 30 20 DJED Cc1c(C(=O)/C=C\c2ccc(C(F)F)cc2)cccc1[N+](=O)[O-] 794941798 YMZIRTOPSXOTHF-YFHOEESVSA-N 317.291 4.737 30 20 DJED O=C(/C=C\c1ccc(C(F)F)cc1)c1ccc2c(c1)COC2 794942939 SUPDZARLHDAPGZ-BAQGIRSFSA-N 300.304 4.551 30 20 DJED C[C@@H]1/C(=C/c2ccc(-c3cnn(C)c3)s2)C(=O)c2ccccc21 809159175 JZSMKLIQYYZWNQ-CHROMADKSA-N 320.417 4.532 30 20 DJED C#Cc1ccc(CN[C@H](Cc2ccccc2)c2cccs2)cc1 809617871 CDQSOZDKNZVWJB-HXUWFJFHSA-N 317.457 4.803 30 20 DJED CC(/C=C\C(=O)c1cncs1)=C\c1ccccc1OC(F)F 811692122 VDYBHTDNFWPUSC-BQGCWICQSA-N 321.348 4.587 30 20 DJED C#CC[C@@H](NC/C(C)=C/c1ccccc1COC)c1ccccc1 814295350 XTHVFHKYNKMPFU-WQEMPZKUSA-N 319.448 4.591 30 20 DJED Oc1nc2ccccc2cc1/C=N/CCCSc1ccccc1 912776688 SNJVHUUXBQSVHB-XSFVSMFZSA-N 322.433 4.542 30 20 DJED Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc(-c2ccccc2)cc1 915654042 RAJNNEJRBOYMDB-OUKQBFOZSA-N 302.377 4.590 30 20 DJED O=C(/C=C/c1ccc2c(c1)CCO2)c1ccc(Cl)cc1Cl 917517591 RNDVVEOWLQALSN-ORCRQEGFSA-N 319.187 4.824 30 20 DJED Fc1cccc(NN=Cc2cc(Cl)ccc2OC(F)F)c1 920386229 UQGXKDYQUADGEZ-UHFFFAOYSA-N 314.694 4.527 30 20 DJED N#Cc1ccccc1/C=C\C(=O)OCc1csc2ccccc12 920824508 TTXBMMAIBZYTGI-KTKRTIGZSA-N 319.385 4.530 30 20 DJED CCC(C#N)(CC)C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 1124811839 IVSSDNGONOUFRF-UHFFFAOYSA-N 322.836 4.643 30 20 DJED Cc1cc(N(C)CCC(C)(C)C)n2c(nc3ccccc32)c1C#N 1186821529 JPQPEGMYZPWISS-UHFFFAOYSA-N 320.440 4.540 30 20 DJED C[C@@H](c1ccc(C(=O)Nc2sccc2C#N)cc1)C(F)(F)F 1264107759 FNXLUZYLHRIQNK-VIFPVBQESA-N 324.327 4.538 30 20 DJED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc3c(c2)oc2ccccc23)C1 1275465315 USTPRGKZGIMLOB-DZGCQCFKSA-N 319.360 4.825 30 20 DJED C[C@H](CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)CC(C)(C)C 1276284472 SWMMRCLOLZQAPS-RDTXWAMCSA-N 312.457 4.514 30 20 DJED CC(C)CN(Cc1cccc2ncccc12)c1ccc(C#N)cc1 1307552916 YTVWIGBKEWNVEV-UHFFFAOYSA-N 315.420 4.769 30 20 DJED CC(C)[C@H](Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 1324101237 QRYSUVZTWPCORV-SFHVURJKSA-N 317.392 4.591 30 20 DJED C=C(C)CCC(=O)N(Cc1cccs1)Cc1cccs1 1347845423 XFVYGHLNZSTOBS-UHFFFAOYSA-N 305.468 4.695 30 20 DJED CCCc1ccc([C@@H](NC(=O)c2cccc(C#N)c2)C(C)C)cc1 1357834880 PCJLWDYWXPVOOX-FQEVSTJZSA-N 320.436 4.638 30 20 DJED Cc1ccnc(N[C@H](c2ccc(F)cc2)C2CCCC2)c1C#N 1458164549 KRZSRBZNGPVXON-SFHVURJKSA-N 309.388 4.744 30 20 DJED CSC[C@H]1CCCN1Cc1ccc(-c2ccccc2C#N)cc1 1459766460 JZDNCGWCDLXCGK-LJQANCHMSA-N 322.477 4.553 30 20 DJED C[C@@H]1c2c(sc(NC(=O)C3CCCCC3)c2C#N)CC[C@H]1C 1534584117 QMTLSDILUXVKQM-NEPJUHHUSA-N 316.470 4.824 30 20 DJED Cc1cc(C(=O)Nc2scc(C(C)(C)C)c2C#N)sc1C 1534595435 UEYZJJISQXRZGH-UHFFFAOYSA-N 318.467 4.848 30 20 DJED CCCN(CC1CCCCC1)c1nc(C)c(C#N)cc1Cl 1559078710 SUAGXIMLBJUCLP-UHFFFAOYSA-N 305.853 4.712 30 20 DJED C[C@H]1CC[C@@H](C)CN1Cc1ccc(-c2ccccc2C#N)cc1 1559560465 LTLRJXCJEQFDFH-SJORKVTESA-N 304.437 4.846 30 20 DJED N#C[C@H]1CCC[C@H](Nc2cccc(OCCc3ccccc3)c2)C1 1560787900 FMWWDIUCFXXIAA-OALUTQOASA-N 320.436 4.802 30 20 DJED C[C@@H]1CCC[C@@H](CSc2nc(C(F)(F)F)ccc2C#N)C1 1613723176 BDAHDBQBZABQSP-GHMZBOCLSA-N 314.376 4.890 30 20 DJED CC[C@H](Cc1ccccc1)N(C)Cc1ccc(C#N)cc1Cl 1615679018 PBYMSKKINDTVBQ-GOSISDBHSA-N 312.844 4.665 30 20 DJED N#Cc1ccc(CCN[C@@H]2CCCC[C@H]2C2CCCCC2)cc1 1621435084 PFNMRWHXGWGSJT-LEWJYISDSA-N 310.485 4.829 30 20 DJED N#Cc1cc(Cl)ccc1SC[C@@H](O)c1ccc(Cl)cc1 1640957500 WUWZWJOYMHGWLV-CQSZACIVSA-N 324.232 4.691 30 20 DJED Cc1ccccc1-c1nsc(Sc2ccc(C#N)cc2)n1 1642119757 IGQRPUGCORNNNP-UHFFFAOYSA-N 309.419 4.536 30 20 DJED Cc1ccc([C@H]2[C@H](C)CCCN2c2cc(C)c(C#N)cn2)cc1 1650798673 OGELWZPTALOZDK-FOIQADDNSA-N 305.425 4.548 30 20 DJED CCCc1ccc(-c2ccc(Nc3ncncc3C#N)cc2)cc1 1651546879 JACCWUSRJKVAEL-UHFFFAOYSA-N 314.392 4.711 30 20 DJED CC(C)c1nc(SCc2ccc(C#N)cc2)c2ccccc2n1 1652803832 ASKGWXPSNJMDTH-UHFFFAOYSA-N 319.433 4.917 30 20 DJED C[C@H]1CCCC[C@H]1COc1cc(Br)ccc1C#N 1652879522 UWHQYGQVJGECKV-AAEUAGOBSA-N 308.219 4.526 30 20 DJED CC(C)[C@H](Cc1ccc(F)cc1)NCCC1(C#N)CCCCC1 1653980328 FKIKMNAKMFPFMZ-IBGZPJMESA-N 316.464 4.847 30 20 DJED CC[C@H](CC#N)NCc1ccccc1Oc1ccc(C)cc1OC 1657119198 XAXVRPWWDLZZQS-QGZVFWFLSA-N 324.424 4.578 30 20 DJED C[C@@H](NCCc1ccc2ccccc2c1)c1cccc(C#N)c1 1660106260 AZRBVKZUZOCTDK-MRXNPFEDSA-N 300.405 4.605 30 20 DJED CC(CCCCCCC(=O)O)=NN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 1776057116 KAUGOORJACGUDP-GPMSIDNRSA-N 322.493 4.592 30 20 DJED CCCCCCCC[C@H](C)C(=O)Nc1ccsc1C(=O)O 1776786133 OWZZVUZADQHDED-LBPRGKRZSA-N 311.447 4.772 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)o1 33369199 GQPHEMKAWAABAX-CLFYSBASSA-N 323.304 4.652 30 20 DJED Cc1ccccc1CC(=O)Nc1ccccc1S[C@@H](C)CC#N 66801836 XERPNTNXVRPGHI-HNNXBMFYSA-N 324.449 4.571 30 20 DJED Cc1ccc(C)c([C@@H]2CCCN2C(=O)Nc2cccc(C#N)c2)c1 127749061 QZTLIBVSSRZHID-IBGZPJMESA-N 319.408 4.544 30 20 DJED CC(C)(C#N)c1ccccc1CNC(C)(C)c1ccc(F)cc1 135187396 PMSZSFMBZLZYFJ-UHFFFAOYSA-N 310.416 4.652 30 20 DJED CC[C@@H](SCCC(=O)Nc1ccccc1C#N)c1ccccc1 156501852 ZJILZHKLWFRBGN-GOSISDBHSA-N 324.449 4.771 30 20 DJED C[C@@H](SCc1nnc(-c2ccccc2)o1)c1ccc(C#N)cc1 173829491 HAFFNQRFGCACJN-CYBMUJFWSA-N 321.405 4.603 30 20 DJED CO[C@H](C)c1nc(CS[C@@H](C)c2cccc(C#N)c2)cs1 190804800 IZTIDOKQZMJMMK-NEPJUHHUSA-N 318.467 4.717 30 20 DJED CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(C(C)C)cc2)cc1 211202509 NNOAQOVPAYMTRO-MLPAPPSSSA-N 307.393 4.665 30 20 DJED C[C@@H](NCCCCC(C)(C)C#N)c1ccccc1OC(F)F 278923130 WTXGTKISMGDUCC-CYBMUJFWSA-N 310.388 4.659 30 20 DJED N#CC1CCC(C/N=C(/O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 328722634 RZCFLSRTAYYWAJ-YXYCDRMUSA-N 302.462 4.879 30 20 DJED OC1=NCc2c(N=C(O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)cccc21 329299107 URNVMAUYOQSQGG-BFHYXJOUSA-N 312.413 4.699 30 20 DJED CC(C)N(C(=O)[C@H](C)c1cccc(C#N)c1)[C@H](C)c1ccccc1 410894186 UCYYGMSTGZDICD-IAGOWNOFSA-N 320.436 4.660 30 20 DJED CC(C)c1occc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 430595598 VBUUQQKMTSFLOS-LBPRGKRZSA-N 316.426 4.647 30 20 DJED Cc1ccccc1[C@@H](CC(F)(F)F)NCc1cccc(C#N)c1 444000917 AGRKOSWTDGULCW-QGZVFWFLSA-N 318.342 4.650 30 20 DJED CC(C)Oc1ccc([C@H](C)NCCCCC(C)(C)C#N)cc1 444686122 RFXFSMCPIGTUQK-INIZCTEOSA-N 302.462 4.844 30 20 DJED C=CCCC1(C(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)CC1 476339088 DKLKPEPXXYOELK-UHFFFAOYSA-N 310.397 4.643 30 20 DJED C=CCC[C@@H](C(=O)Nc1cccc(C#N)c1C)c1ccccc1 489725380 AENOHLNBLCSALP-GOSISDBHSA-N 304.393 4.555 30 20 DJED C=CCN(Cc1ccccc1)C(=O)[C@@H](C)c1ccc(Cl)s1 495201994 MCLMIZQRYHHCRD-ZDUSSCGKSA-N 319.857 4.720 30 20 DJED C=CCC[C@H](NCc1ccc(Br)cc1)c1ccco1 513671305 BUPPEZBDXXXZQQ-HNNXBMFYSA-N 320.230 4.839 30 20 DJED CCCCCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519978016 SKWMBGJHBHWYOE-UHFFFAOYSA-N 308.381 4.869 30 20 DJED CC(C)c1ccc([C@@H](C)CC(=O)Nc2ccccc2C#N)cc1 524249382 DJRBMLBUIWOOKV-HNNXBMFYSA-N 306.409 4.814 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N[C@@H](c1ccccc1)C1CCC1 531320425 BWBCIWSTNDGUFC-IBGZPJMESA-N 319.408 4.530 30 20 DJED C=C[C@H]1CCCCN1Cc1ncc(-c2ccc(Cl)cc2)o1 555560674 SKKUYCKHYUGKEF-HNNXBMFYSA-N 302.805 4.536 30 20 DJED C=CCn1c([C@H](C)CC)nnc1N1CCC[C@H]1c1cccc(C)c1 565273902 PXADPMFPDNGYIJ-AEFFLSMTSA-N 324.472 4.628 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(C(F)F)cc1 581344081 MSHBWPWNBMVJCY-GOSISDBHSA-N 312.363 4.663 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1ccc(-c2ccco2)s1 615925444 VGXGOPAZCXATEU-UHFFFAOYSA-N 316.426 4.553 30 20 DJED COc1cccc(C=Nc2ccc(-c3csc(C)n3)cc2)c1O 730547676 YZFIPJYYZUCSOX-UHFFFAOYSA-N 324.405 4.583 30 20 DJED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)CC(F)(F)C(F)F 736619798 HKOUJIHNUGZHRP-QMMMGPOBSA-N 317.248 4.599 30 20 DJED C=CCCCCCN(C)C(=O)N[C@H](CC)c1ccccc1OC 740050476 BWJZUSYNYWKRGL-QGZVFWFLSA-N 318.461 4.534 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C(/C)C(C)(C)C 742486021 LMABZGDWAGCIMO-BENRWUELSA-N 311.878 4.909 30 20 DJED CCOc1cc(/C=C\C(=O)C2CCCCC2)ccc1OC(F)F 747003235 FFXVWKFUJYJOCG-NTMALXAHSA-N 324.367 4.849 30 20 DJED Fc1ccc(/C=C\C=NNc2ccc(OC(F)F)cc2)cc1 747751112 HTDOMXHEWOIUOZ-NDIBYNNDSA-N 306.287 4.538 30 20 DJED CCOc1cccc2cc(C(=O)/C=C/c3cc(C#N)cs3)oc12 748441068 VWTASNKIOVACBD-VOTSOKGWSA-N 323.373 4.661 30 20 DJED COc1cccc(/C=C\C(=O)c2cc3ccc(C)cc3o2)c1OC 754830600 TTYKWUOFEMPILO-KTKRTIGZSA-N 322.360 4.655 30 20 DJED CCCC1(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 760365089 HGFZJKAQLNEOMH-LJQANCHMSA-N 318.420 4.861 30 20 DJED C=CCCCCNC(=O)c1c(Cl)ccc(Cl)c1Cl 770080922 ABZCESMXRDCYMP-UHFFFAOYSA-N 306.620 4.733 30 20 DJED Cc1oc2ccccc2c1/C=C\C(=O)c1cnn(C(C)C)c1C 787187818 XVXFAEYUIIRTBS-KTKRTIGZSA-N 308.381 4.723 30 20 DJED CC[C@@H](C)c1ccc(C(=O)N(CCC#N)C(C)(C)CC)cc1 787944202 NSZGHPSPSUZYCN-OAHLLOKOSA-N 300.446 4.745 30 20 DJED C#C[C@H](NCc1ccsc1Cl)c1ccc(Cl)cc1F 809699895 UMAGFJNDCFZFFF-ZDUSSCGKSA-N 314.212 4.658 30 20 DJED CC(CCc1ccc(F)cc1)=NNc1nccc2sccc12 917545042 LMFRPJOCFXASGJ-UHFFFAOYSA-N 313.401 4.856 30 20 DJED CC[C@](C)(C#N)C(=O)Nc1ccc(Oc2cc(C)cc(C)c2)cc1 1125251747 YSIBQRLDUUCKIT-HXUWFJFHSA-N 322.408 4.974 30 20 DJED CC(C)(C)c1ccc([C@H]2CCCN2c2ccnc(C#N)c2)cc1 1162190122 PEZWACBIECPAEM-LJQANCHMSA-N 305.425 4.592 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C[C@H](C)c1ccc(F)cc1 1204802805 FOJMRNPTJNUUFI-INIZCTEOSA-N 310.416 4.713 30 20 DJED CC[C@H](c1ccccc1)c1nnc(-c2ccc(Cl)c(C#N)c2)o1 1322610981 NNFXQFUNHSRGHF-OAHLLOKOSA-N 323.783 4.804 30 20 DJED C=C(C)CCC(=O)Nc1ccc(NC(=O)OC(C)(C)C)c(C)c1 1336570407 NSESUOHJCYXTSI-UHFFFAOYSA-N 318.417 4.637 30 20 DJED C[C@H]1C[C@@H](C)Cc2c1sc(NC(=O)c1ccsc1)c2C#N 1436485223 UHHLBMVDVZGUAS-ZJUUUORDSA-N 316.451 4.619 30 20 DJED CCC1(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CCC1 1524141314 FWZDBESWUPCCRM-UHFFFAOYSA-N 320.392 4.869 30 20 DJED C=C(CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 1527585497 MBOYVQKZITUCDH-UHFFFAOYSA-N 313.400 4.797 30 20 DJED Cc1ccccc1[C@H](C)CC(=O)Nc1ccc(Cl)cc1C#N 1528631922 KXOCJASUIZLHLB-CYBMUJFWSA-N 312.800 4.652 30 20 DJED Cc1ccc(C#N)cc1C(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 1529201581 OKESGNQQKQFWSY-DLBZAZTESA-N 312.457 4.592 30 20 DJED Cc1ccc(C2(C(=O)O[C@@H](C)c3cccc(C#N)c3)CCC2)cc1 1544187637 INNOKRILGFTRLH-INIZCTEOSA-N 319.404 4.593 30 20 DJED CSc1ccccc1[C@H](C)OC(=O)c1ccc(C)c(C#N)c1 1544579188 QYPTZXJWPOKUAT-ZDUSSCGKSA-N 311.406 4.507 30 20 DJED N#Cc1nc(NCc2ccc(-c3ccccc3)o2)sc1Cl 1559075008 AMYJPQXGBMZPQT-UHFFFAOYSA-N 315.785 4.540 30 20 DJED Cc1ccc([C@@H]2CCCCN2Cc2ccc(C#N)cc2C)cc1 1559560871 UNHZKROSRAJEHH-NRFANRHFSA-N 304.437 4.902 30 20 DJED CCC1CCC(N(C(=O)Nc2cccc(C#N)c2)C2CC2)CC1 1562143547 GWDHHDPYWLMUAI-UHFFFAOYSA-N 311.429 4.523 30 20 DJED C[C@H]1C[C@@H](C)Cc2c1sc(NC(=O)C1CCCCC1)c2C#N 1583689737 KIZKGOCPLOUEHM-NEPJUHHUSA-N 316.470 4.824 30 20 DJED C[C@@H](CC1CCCCC1)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1584415345 QFRKHLHQMBCTEY-HOTGVXAUSA-N 312.457 4.684 30 20 DJED CC[C@H](CC#N)NC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 1624680990 LPOIYELPWAIIIA-MRXNPFEDSA-N 324.424 4.666 30 20 DJED CCCc1nc(COc2c(C)cc(Cl)cc2C#N)cs1 1641218185 VSGLGUOZZFJDJP-UHFFFAOYSA-N 306.818 4.508 30 20 DJED CN(Cc1ccc(F)cc1C#N)[C@@H]1CCCC[C@H]1c1ccccc1 1654733833 RCYHOACWTWEBAZ-LEWJYISDSA-N 322.427 4.856 30 20 DJED CC(C)Oc1cccc(COc2cc(Cl)ccc2C#N)c1 1656381706 DHHCLONINNKJIQ-UHFFFAOYSA-N 301.773 4.578 30 20 DJED C=C(CNC(=O)Nc1cccc(O[C@@H](C)CC)c1)c1ccccc1 1662215078 OEDNDNBMNRUISF-INIZCTEOSA-N 324.424 4.699 30 20 DJED Cc1cc(C#N)cc(NC(=O)Nc2cccc(OC(C)(C)C)c2)c1 1670905682 LLRUFMGHXFFERO-UHFFFAOYSA-N 323.396 4.688 30 20 DJED CC(C)(C)[C@H]1CCCC(=NNc2ccccc2C(=O)O)CC1 1776030296 JEBURPARWDNWDN-ZDUSSCGKSA-N 302.418 4.779 30 20 DJED CCCc1ccc(C(=O)/C=C\c2ccc(C)c(C(=O)O)c2)cc1 1776112933 QKHONLVJDCWMEI-XFXZXTDPSA-N 308.377 4.542 30 20 DJED CC(C)c1cccc(C(=O)/C=C/c2cc(C(=O)O)ccc2F)c1 1776375415 MOVIXZZDADMZFN-VQHVLOKHSA-N 312.340 4.543 30 20 DJED CC(=O)Nc1ccc(/C=C\C(=O)c2cccc3ccccc23)cc1 35239479 LMVVJVKOUAAPQE-KAMYIIQDSA-N 315.372 4.694 30 20 DJED COc1cc(C(=O)/C=C/c2ccccc2)ccc1SC(F)F 63874755 SLJUGUMNWPZKPE-VQHVLOKHSA-N 320.360 4.906 30 20 DJED Cc1ccc(C)c2c(C)c(C(=O)Nc3ccc(CC#N)cc3)oc12 65891372 BQQSTKDHXVRPSB-UHFFFAOYSA-N 318.376 4.676 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1ccccc1 66800690 VYKABQOEXMYYPG-HNNXBMFYSA-N 324.449 4.652 30 20 DJED CC(C)c1ccccc1NC(=O)[C@H](C)Sc1cccc(C#N)c1 177104469 ZGBGVOLFJPWNMQ-AWEZNQCLSA-N 324.449 4.801 30 20 DJED CC#CCCCC(=O)Nc1ccc(COCc2ccccc2)cc1 185664078 PVUKQMARCCNZNJ-UHFFFAOYSA-N 321.420 4.536 30 20 DJED COc1cc(Cl)c(Cl)cc1NCc1cc(C#N)cs1 191677875 BYOYFXKTKQTITH-UHFFFAOYSA-N 313.209 4.547 30 20 DJED CCC(C)(C)c1ccc(CN(CCC#N)Cc2ccccn2)cc1 351877478 PTBOCDYWNUNMKZ-UHFFFAOYSA-N 321.468 4.685 30 20 DJED COc1ccc(C#N)cc1CSc1nc(-c2ccccc2)co1 436263511 UNOSOOFFSXAFIM-UHFFFAOYSA-N 322.389 4.514 30 20 DJED CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 437576058 FEOOYWZNWKQIBP-LRDDRELGSA-N 319.836 4.644 30 20 DJED CC[C@H](F)CN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 440503250 JDFDJTMZSLYIJM-GZMMTYOYSA-N 317.248 4.647 30 20 DJED N#Cc1cccc(COc2ccc(Cl)c(C(F)(F)F)c2)c1 495303206 BPJPPAXNPKPBIK-UHFFFAOYSA-N 311.690 4.809 30 20 DJED C=CCCO[C@@H](C)C(=O)N(c1ccccc1)[C@@H](C)c1ccccc1 502780661 LBISYIXODMBPSA-ROUUACIJSA-N 323.436 4.762 30 20 DJED Cc1nc(-c2cccc(NCc3ccc(C#N)cc3F)c2)cs1 505259230 FEQQHCRFCGZSEW-UHFFFAOYSA-N 323.396 4.741 30 20 DJED CCCN(C(=O)Nc1cccc(C#N)c1)[C@H](CC)c1ccccc1 521764272 LDFCKNBXHOPZSP-LJQANCHMSA-N 321.424 4.953 30 20 DJED C=C(C)[C@@H](CC(=O)N(Cc1ccccc1)c1ccccc1)OCC 535882435 ICUNZKGSVNXXRD-HXUWFJFHSA-N 323.436 4.591 30 20 DJED N#Cc1ccc(SCc2ncc(Cl)cc2Cl)c(F)c1 539628660 DONMPVYHKWJMNI-UHFFFAOYSA-N 313.184 4.691 30 20 DJED C[C@@H](CCC(C)(C)C)C(=O)N(C)c1cc(Cl)ccc1C#N 543481575 QTOJXUOWSFYVAT-LBPRGKRZSA-N 306.837 4.637 30 20 DJED C[C@@H](NC1(c2ccc(Cl)cc2)CC1)c1ccc(C#N)c(F)c1 554209936 UIAWVBAEBPATMS-GFCCVEGCSA-N 314.791 4.691 30 20 DJED Cc1cccc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)c1 570438453 DYINZDPWTJHBBW-UHFFFAOYSA-N 315.376 4.666 30 20 DJED C[C@H](c1cccc(C#N)c1)N1CCC(c2ccccc2F)CC1 581229951 DEHYLQHMEGZBPU-OAHLLOKOSA-N 308.400 4.638 30 20 DJED N#CC1(c2cccc(-c3ccc(Cl)s3)c2)CCOCC1 598911366 WXQXCKROAQIHTG-UHFFFAOYSA-N 303.814 4.640 30 20 DJED C#Cc1cccc(NC(=O)N(Cc2ccccc2)CC(C)(C)C)c1 729037470 LEPNEFRNJBMKRF-UHFFFAOYSA-N 320.436 4.748 30 20 DJED C=CC[C@@H](NC(=O)C[C@H](c1ccccc1)C(C)C)c1ccncc1 734459144 FKVUCQFPUYABMA-VQTJNVASSA-N 322.452 4.645 30 20 DJED CC(C)(C)c1ncc(/C=C2\C(=O)c3ccccc3C2(C)C)s1 736434451 SRIHYBJAJGCXIB-XNTDXEJSSA-N 311.450 4.998 30 20 DJED CCCCCCCC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 736529054 XRWINVSXUNPFEB-QGZVFWFLSA-N 305.437 4.577 30 20 DJED CCCCCC[C@H](C)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 742068924 QYTUHFHWZVGECY-BBRMVZONSA-N 306.837 4.627 30 20 DJED COc1cc(C(C)=NNc2cc(C)cc(C)c2)ccc1SC 747610921 PNUDYTCDHHCAOJ-UHFFFAOYSA-N 314.454 4.870 30 20 DJED Fc1cc(F)cc(C=NOCc2ccc(C(F)(F)F)cc2)c1 755805077 QSCOEFUMMDEJGW-UHFFFAOYSA-N 315.241 4.534 30 20 DJED C=CCC[C@@H](CCC)N[C@@H](c1ccccc1)c1nccs1 765490442 VWPJOZYHPMCZDD-SJORKVTESA-N 300.471 4.957 30 20 DJED FC(F)(F)C1CCC(=NNc2nc3ccccc3s2)CC1 766007713 AOOHGVDWLTXKQK-UHFFFAOYSA-N 313.348 4.817 30 20 DJED COc1ccc(/C=C\C(=O)c2ccco2)cc1OCCC(C)C 769769678 BZYHSTCBYBUSDV-VURMDHGXSA-N 314.381 4.609 30 20 DJED Cc1ccc([C@H](C)OC(=O)c2ccccc2SCC#N)cc1 770701638 XKHIYCWKXQSHNA-AWEZNQCLSA-N 311.406 4.529 30 20 DJED C#CCCCCCC(=O)Nc1cc(Cl)ccc1OCCC 779856955 JBPWJIFLGFYBLQ-UHFFFAOYSA-N 307.821 4.651 30 20 DJED O=C1/C(=C/c2ccc(C(F)F)cc2)CCc2ccc(O)cc21 794960318 RCUUKICNGAGPCP-NTEUORMPSA-N 300.304 4.542 30 20 DJED C#CC[C@H](N[C@@H]1CCC[C@@H](c2ncccc2C)C1)c1ccccc1 798930899 CLLYYETULAMQEQ-NJYVYQBISA-N 318.464 4.770 30 20 DJED CC[C@H](Nc1nc(Cl)c(C#N)s1)c1cc(F)ccc1F 804494926 ATHBHHWOHDMIJL-JTQLQIEISA-N 313.760 4.510 30 20 DJED C#Cc1ccccc1CC(=O)Nc1ccccc1-c1cccs1 812844839 QKFHWDKRVBPOQG-UHFFFAOYSA-N 317.413 4.578 30 20 DJED FC(F)Oc1ccc(NN=C2CC(c3ccccc3)C2)cc1 814828606 LJBDONNLOWRDEW-UHFFFAOYSA-N 302.324 4.634 30 20 DJED CC(=NNc1nccc2sccc12)c1ccc(F)c(Cl)c1 915978536 DLKQOQSDIDZNMO-UHFFFAOYSA-N 319.792 4.925 30 20 DJED Clc1cc(Cl)c(NN=Cc2ccsc2)nc1Cl 916319010 AFOXXWWEVHDJHS-UHFFFAOYSA-N 306.605 4.549 30 20 DJED C=CCN(C(=O)Nc1cccc(C2SCCS2)c1)C(C)C 916706993 PUMKYNLUQFFGKX-UHFFFAOYSA-N 322.499 4.594 30 20 DJED C/C(=C/C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C1CC1 921011500 YNZQRMDRFCACBS-OWBHPGMISA-N 318.376 4.645 30 20 DJED CC(=NNc1ccc(C)c(Cl)c1)c1c(C)nc2sccn12 1115819970 BDDLXIHCJDTAFN-UHFFFAOYSA-N 318.833 4.502 30 20 DJED C=C1CC(c2noc(-c3nc(-c4ccccc4)oc3C3CC3)n2)C1 1119521475 UHIMTFBJCOJUCS-UHFFFAOYSA-N 319.364 4.703 30 20 DJED CCC(C)(C)C1CCC(CC(=O)N(C[C@H](C)C#N)C2CC2)CC1 1137929731 NVCWAHRLVPTKPB-KLAILNCOSA-N 318.505 4.770 30 20 DJED CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCCc3sccc32)n1 1186034088 IWLLQADTIVCYGA-CQSZACIVSA-N 311.454 4.802 30 20 DJED CC(C)[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1 1215837692 CEYIQFAONWJHAB-ZIAGYGMSSA-N 319.836 4.548 30 20 DJED N#Cc1ccc(NC(=O)C2CCC(c3ccccc3)CC2)cc1F 1274874926 CSCFGFQCEQDXIW-UHFFFAOYSA-N 322.383 4.610 30 20 DJED COc1ccc([C@@H](C)SCc2ccc(C#N)cc2F)cc1 1307295965 YCLHKALQCZUMII-GFCCVEGCSA-N 301.386 4.700 30 20 DJED CCCc1cc(C(=O)O[C@H](C)c2ccc(C#N)cc2)sc1C 1354919660 RYAKANJEAQECCA-GFCCVEGCSA-N 313.422 4.799 30 20 DJED CCc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)cc1 1358073935 ZNVAGBOJSHUJJQ-UHFFFAOYSA-N 312.438 4.732 30 20 DJED CCCN(Cc1cccc(C#N)n1)[C@@H](C)c1cc2ccccc2o1 1474345860 WWGVVQSDRQYRFA-HNNXBMFYSA-N 319.408 4.673 30 20 DJED Cc1cc(CN2CC(C)(C)c3c(Cl)cccc32)ccc1C#N 1474433260 MKHWSFOGGIVGJL-UHFFFAOYSA-N 310.828 4.818 30 20 DJED Cc1cc(NC(=O)c2sc3ccc(C#N)cc3c2C)cs1 1530453691 JZISCDVZADEUQU-UHFFFAOYSA-N 312.419 4.704 30 20 DJED N#Cc1ccc(C(=O)OCc2ccc(C3CCCCC3)cc2)cc1 1533821613 NQUAZSGMUPNGSY-UHFFFAOYSA-N 319.404 4.963 30 20 DJED CC[C@H](CC(C)C)C(=O)Nc1scc(C(C)(C)C)c1C#N 1544839816 LGOSHMNYAICDFQ-GFCCVEGCSA-N 306.475 4.928 30 20 DJED COc1cccc([C@@H](C)SCc2ccc(C#N)cc2OC)c1 1559385629 QSUYQDYJNUJNDH-CYBMUJFWSA-N 313.422 4.570 30 20 DJED Cc1ccc(-c2ncc(CNc3cccc(CC#N)c3)s2)cc1 1620939643 PWUGPRMCZXTBCE-UHFFFAOYSA-N 319.433 4.797 30 20 DJED CCC(CC)CN(CCC#N)[C@H](C)c1nccc2ccccc12 1651830909 IVAXUKZFBOFYHI-MRXNPFEDSA-N 309.457 4.948 30 20 DJED Cc1ccc(C)c([C@@H]2CCCN2Cc2ccc(C#N)c(C)c2)c1 1651848027 NABLRMNRZXQBAV-NRFANRHFSA-N 304.437 4.821 30 20 DJED CCOc1ccccc1[C@@H](CC)NCCC1(C#N)CCCCC1 1653088822 HIHHRQWOLWDLLY-GOSISDBHSA-N 314.473 4.990 30 20 DJED C[C@H](c1cccc(C(F)(F)F)c1)N(CC1(CC#N)CC1)C1CC1 1653277315 KTSYFFMQNYIIKT-CYBMUJFWSA-N 322.374 4.925 30 20 DJED CCC[C@@H](C)[C@@H]1CCCN1Cc1cc(Cl)ccc1OCC#N 1657782650 KASKTDZQNJIVCF-PBHICJAKSA-N 320.864 4.643 30 20 DJED CC(C)C[C@H](Cc1cccc(Cl)c1)NCC(C)(C)CC#N 1664966955 PZKMWOAUIAQNLM-QGZVFWFLSA-N 306.881 4.827 30 20 DJED Cc1ccc(CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 66801455 WZOSMSTYYXPWOM-OAHLLOKOSA-N 324.449 4.571 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)CCC(C)(C)C 78118445 JQMLFAQZAOWLHX-ZDUSSCGKSA-N 304.459 4.703 30 20 DJED CCC[C@@H](C(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 104684160 IEJBHOAXYBFASD-OAHLLOKOSA-N 312.438 4.759 30 20 DJED C[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1-c1ccccc1C#N 104879721 STQQAQXBGDSKET-FOIQADDNSA-N 318.420 4.534 30 20 DJED CCC[C@@H](C)CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 155486906 VOICZTIVPFQQGZ-HIFRSBDPSA-N 312.438 4.813 30 20 DJED N#CCCCOc1cccc(N[C@H]2CCCNc3ccccc32)c1 193083124 YNRJVZNTKCEFKU-FQEVSTJZSA-N 321.424 4.728 30 20 DJED C=C(Cl)COc1ccc(Br)c(C(F)(F)F)c1 307925608 LSDYKDJJLBYSKT-UHFFFAOYSA-N 315.516 4.599 30 20 DJED Cc1ccc2c(c1)[C@H](/N=C(/O)[C@@H]1CCC[C@H](C(=N)O)C1)CCC2 329311376 ZRUKRLGHZBIAIY-ZMSDIMECSA-N 314.429 4.671 30 20 DJED C=CCC(C)(C)C(=O)Nc1nc(-c2cc(C)oc2C)cs1 340094690 HTVGKLSHXZPCEW-UHFFFAOYSA-N 304.415 4.561 30 20 DJED C[C@H](SCc1cccc(F)c1C#N)c1nc2ccccc2o1 427818974 JMHHZFCKTMJGRB-NSHDSACASA-N 312.369 4.833 30 20 DJED Cc1csc(COc2ccc(Oc3ccc(C#N)cc3)cc2)n1 447368250 PVGQVFBCPQTFEI-UHFFFAOYSA-N 322.389 4.695 30 20 DJED Cc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)c(F)c1Cl 448102734 XQJZWQNNUMSDEK-UHFFFAOYSA-N 323.154 4.565 30 20 DJED C[C@H](Cc1c(Cl)cccc1Cl)N[C@H]1CCC[C@H](C#N)C1 463233793 FEFQJFAEWCDFFQ-AGIUHOORSA-N 311.256 4.596 30 20 DJED C=CCCCCNC(=O)Nc1ccc(-c2nc(C)cs2)cc1 473670080 IJRRYXZATIAPKB-UHFFFAOYSA-N 315.442 4.596 30 20 DJED C=C(C)[C@H](NC(=O)[C@@H](C)c1ccsc1)c1ccc(F)c(F)c1 475668007 IHVUTXYNPMQMQK-ZBEGNZNMSA-N 321.392 4.563 30 20 DJED C=CCn1c(SC/C=C\c2ccccc2)nnc1-c1ccco1 479741475 HBTIVTBJEULNQJ-YFHOEESVSA-N 323.421 4.530 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1ccc(C(C)(C)C)cc1 484463686 AWMYZXCDJVADEK-UHFFFAOYSA-N 300.446 4.529 30 20 DJED CCN(CCO[C@@H]1CCCC[C@@H]1C)[C@H](C)c1ccc(C#N)cc1 497621112 SDEHIFHHPUJGAQ-SQGPQFPESA-N 314.473 4.536 30 20 DJED Cc1cc(-c2ccccc2)ccc1NC(=O)N(C)CC(C)(C)C#N 521528601 SCIFOSDYCBZSHR-UHFFFAOYSA-N 321.424 4.676 30 20 DJED C=CCN(Cc1ccccc1)C(=O)N[C@H](C)CCC(C)(C)C 522996762 BOLTVPBTNIEOAZ-MRXNPFEDSA-N 302.462 4.599 30 20 DJED Cc1csc(-c2cccc(NCc3cccc(C#N)c3)c2)n1 530675064 RMONNVYVWBLXJF-UHFFFAOYSA-N 305.406 4.602 30 20 DJED CC(C)[C@H](NCc1cccc(C#N)c1F)c1ccc(Cl)cc1 539198294 MZVZLQHCTWOMLX-SFHVURJKSA-N 316.807 4.838 30 20 DJED Cc1ccsc1[C@H](Cc1ccccc1)N[C@@H]1CC[C@@H](C#N)C1 561032855 CWFVLRGDRWFLQN-KURKYZTESA-N 310.466 4.622 30 20 DJED CC(C)C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 579651834 IBERKTDXHQDQNZ-LEWJYISDSA-N 304.437 4.923 30 20 DJED CN(CCCCc1cccc(C(F)(F)F)c1)CC(C)(C)C#N 584711306 MKRBNRVIQKKECC-UHFFFAOYSA-N 312.379 4.510 30 20 DJED CC[C@](C)(C#N)C(=O)Nc1cccc(Sc2ccccc2)c1 586776391 XCLNSWDNBYVGGO-GOSISDBHSA-N 310.422 4.716 30 20 DJED C[C@H](NCC1(C#N)CC1)c1ccc(O[C@H](C)c2ccccc2)cc1 595680916 ITYNNEAMFCHBBG-DLBZAZTESA-N 320.436 4.781 30 20 DJED N#Cc1ccc(OCCc2cc(Cl)cc(Cl)c2)c(F)c1 722116706 QVIDVYGNSNYRQC-UHFFFAOYSA-N 310.155 4.626 30 20 DJED O=C1/C(=C\c2ccc(C(F)(F)F)cc2)CCc2sccc21 726894412 ZEEDSADNGSRZBU-LUAWRHEFSA-N 308.324 4.979 30 20 DJED Cc1cc(Br)ccc1NN=Cc1sccc1C 728433238 YZZHAQVVGAJDTH-UHFFFAOYSA-N 309.232 4.573 30 20 DJED C#Cc1cccc(N(CC)C(=S)Nc2cccc(C)c2C)c1 728447473 DMJFBZOQHGOMIO-UHFFFAOYSA-N 308.450 4.508 30 20 DJED C#CC(C)(C)NC(=O)c1sc2cc(C(C)C)ccc2c1Cl 733976617 LMAVINHBXBVNPK-UHFFFAOYSA-N 319.857 4.820 30 20 DJED Oc1c(Cl)cc(Cl)cc1C=Nc1cc(F)c(F)c(F)c1 741165977 ULNCGRLCUKVMOS-UHFFFAOYSA-N 320.097 4.867 30 20 DJED Cc1cccn2c(/C=C/C(=O)c3ccc(C(C)C)cc3)cnc12 741471956 RGSUBQHVMXZQSM-ZHACJKMWSA-N 304.393 4.662 30 20 DJED CC/C(=C\C(=O)N(CCC#N)CC(C)(C)C)c1ccc(C)cc1 741563098 CTMWIOLXGQQKHF-SAPNQHFASA-N 312.457 4.577 30 20 DJED Cc1ccc(-c2ccc(CNCc3cc(C#N)ccc3F)o2)cc1 742381916 RZRINQUHCDBCOP-UHFFFAOYSA-N 320.367 4.556 30 20 DJED CC[C@H](C#N)Oc1cccc(CNCc2ccccc2C2CC2)c1 751146893 KZBVGJYIYREVPB-LJQANCHMSA-N 320.436 4.535 30 20 DJED CCOC(=O)Nc1ccc(N[C@H](C)c2cccc(C)c2)cc1C#N 752797452 RWUBGQRKIHMUGB-CQSZACIVSA-N 323.396 4.608 30 20 DJED Cc1noc(C)c1/C=C1\CCc2c(sc3ccccc23)C1=O 763101129 LRYIRDWMWHXXHY-FMIVXFBMSA-N 309.390 4.719 30 20 DJED O=C(/C=C\c1cc(Br)ccc1Cl)c1ccco1 769770790 JPDXDJOWPRAAQB-UTCJRWHESA-N 311.562 4.592 30 20 DJED O=C1/C(=C\c2cscc2Cl)CCOc2ccc(F)cc21 771856240 HCUWDSJRKXETEA-UITAMQMPSA-N 308.761 4.589 30 20 DJED COc1ccc(C)cc1C(=O)/C=C/c1ccc(Cl)nc1Cl 779358857 KRNSVQXLNXZWNK-GQCTYLIASA-N 322.191 4.602 30 20 DJED CCC[C@@](C)(CC)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797570989 MQVCVDIUADDFLV-YVEFUNNKSA-N 306.475 4.833 30 20 DJED C#CC[C@H](N[C@@H]1CCC[C@H](c2ncccc2C)C1)c1ccccc1 798930897 CLLYYETULAMQEQ-HBMCJLEFSA-N 318.464 4.770 30 20 DJED COc1cccc(/C=C/C(=O)c2cc(C)c(C)o2)c1OC(C)C 799895521 CKOZYWMJKFCNHS-MDZDMXLPSA-N 314.381 4.588 30 20 DJED C[C@H]1/C(=C/c2cnc(-c3ccccc3)nc2)C(=O)c2ccccc21 809159143 JDNUZEXUXPLYEC-AXLWCPOOSA-N 312.372 4.527 30 20 DJED CCCC(=NNc1nc2ccccc2cc1C)c1ccccn1 814896177 MOPAKAZVHUKJAI-UHFFFAOYSA-N 304.397 4.555 30 20 DJED O=C(CCCc1ccccc1)N(O)Cc1cccc2ccccc12 901370386 GJDHDJIGYIRPCR-UHFFFAOYSA-N 319.404 4.581 30 20 DJED FC(F)(F)c1cccnc1NN=C1CC[C@@H]2CCCC[C@@H]2C1 915050517 TWBSTAVRVOZVDF-NWDGAFQWSA-N 311.351 4.859 30 20 DJED CC(CC(C)(C)c1ccccc1)=NNc1cccc(C(=O)O)c1 915936269 SWNIDFHQPWXTET-UHFFFAOYSA-N 310.397 4.541 30 20 DJED O=C(/C=C\c1cc(Cl)ccc1OC(F)F)c1ccc(O)cc1 915981526 RLAYGVKPGPFJKJ-CLTKARDFSA-N 324.710 4.543 30 20 DJED Cc1cc(C)c2c(c1)OCCC2=NNc1nccc2sccc12 920375487 UMCZUSQEGYEIMJ-UHFFFAOYSA-N 323.421 4.512 30 20 DJED CC(C)c1ccc([C@@H](C)CC(=O)[C@H](C#N)c2cccc(F)n2)cc1 1122632462 VSWFRNRMFRMSMC-WMLDXEAASA-N 324.399 4.714 30 20 DJED CC(C)C1CCN(c2c(C#N)cnc3c(Cl)cccc23)CC1 1162510707 ROKZPMDZCLDHBF-UHFFFAOYSA-N 313.832 4.632 30 20 DJED N#Cc1ccc(CN2CCCC[C@H]2CCCc2ccccc2)s1 1168350697 LCHNPAHVLSMEAW-SFHVURJKSA-N 324.493 4.997 30 20 DJED O=C(/C=C/c1ccc(N2CCCC2)cc1)c1csc(Cl)c1 1255572130 BNFIWYLUALUXSC-VMPITWQZSA-N 317.841 4.898 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@H]1/C=C\c1ccccc1 1308122689 PVIYBGILWMOFIM-SKIIKRCTSA-N 302.421 4.545 30 20 DJED CCCC[C@@H](CCC)CNC(=O)N[C@@H](C)c1cccc(C#N)c1 1312243512 UQEKNJZWTZWHNF-JKSUJKDBSA-N 315.461 4.525 30 20 DJED N#CCOc1ccc(NCc2ccc(SC(F)F)cc2)cc1 1319964485 KYNJTWXHAGRJIL-UHFFFAOYSA-N 320.364 4.516 30 20 DJED C[C@H](OC(=O)c1ccc2c(c1)oc1ccccc12)C(C)(C)C#N 1344046138 ZOVDIANVLKYNKN-LBPRGKRZSA-N 307.349 4.681 30 20 DJED Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)c(Cl)c1Cl 1348911154 QYTLSEOJPCULNV-UHFFFAOYSA-N 319.191 4.620 30 20 DJED C[C@H]1c2c(Cl)cc(Cl)cc2CCN1CC1(CC#N)CC1 1459629790 TUQYZMCUYQJLFQ-NSHDSACASA-N 309.240 4.606 30 20 DJED Cc1oc(C(C)(C)C)cc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 1515137358 UYNYPPGQINRXAU-LBPRGKRZSA-N 311.381 4.675 30 20 DJED CCC[C@H](C(=O)Nc1scc(C(C)(C)C)c1C#N)C(C)C 1527545557 HVPLFCLVGAAKBJ-LBPRGKRZSA-N 306.475 4.928 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2ccc(C)c(Cl)c2Cl)c1 1528386899 MUMMDOANPQKXKI-UHFFFAOYSA-N 319.191 4.734 30 20 DJED CC[C@@H](C)CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1531398759 NRYGTRUFQCKGQV-OAHLLOKOSA-N 322.408 4.517 30 20 DJED CC(C)CCN(CCC#N)c1cc(C(C)(C)C)nc(C(C)C)n1 1639678709 LSTPLLRVACITTD-UHFFFAOYSA-N 316.493 4.664 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1ccc(Cl)cc1C 1641516579 SQEGUEZBNPAUKY-UHFFFAOYSA-N 312.844 4.932 30 20 DJED N#Cc1cccc(CN2CCCC3(CCCCC3)CC2)c1F 1642731225 AKSGSUUDSCLELY-UHFFFAOYSA-N 300.421 4.634 30 20 DJED C=C(Cl)CN1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 1644746804 PMRZKOZNEHPEBP-LBPRGKRZSA-N 320.647 4.589 30 20 DJED C[C@@H]1C[C@H](CCNc2nc(Cl)c(C#N)s2)CC(C)(C)C1 1651022695 JAIAPQUKZBZRBN-MNOVXSKESA-N 311.882 4.933 30 20 DJED Cc1ccc(C)c(C2CCN(c3cccc(F)c3C#N)CC2)c1 1651494989 IEZLYXNMOSWPKA-UHFFFAOYSA-N 308.400 4.698 30 20 DJED Cc1nc(N[C@H]2CCCc3ccc(F)cc32)c(Cl)cc1C#N 1651821674 FWXPJHHNTPYJEU-INIZCTEOSA-N 315.779 4.544 30 20 DJED CCc1ccc(CN(Cc2cccc(F)c2C#N)CC(C)C)cc1 1658412105 YZVLSVQWOMTHRQ-UHFFFAOYSA-N 324.443 4.918 30 20 DJED CC1(C)CCc2ccccc2[C@H](NCc2ccc(C#N)cc2F)C1 1662289590 ZYGNMKBZHHDHDV-HXUWFJFHSA-N 322.427 4.891 30 20 DJED CC(C)CCNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1669147791 JMTIEKNHWHCTRV-UHFFFAOYSA-N 323.396 4.518 30 20 DJED CCC(C)(C)C1CCC(NC(=O)NCC(C)(C)CCC#N)CC1 1674152453 VMWUPHMSWVAOLQ-UHFFFAOYSA-N 321.509 4.611 30 20 DJED C=C(Cl)Cn1c([C@@H](C)CC)nnc1N(CC)C1CCCCC1 1760365572 CAYMZPYXGQVKKK-ZDUSSCGKSA-N 324.900 4.703 30 20 DJED N#Cc1ccc(CSCc2cc(-c3ccc(F)cc3)no2)cc1 30528805 ZWBIGQYFLFDACE-UHFFFAOYSA-N 324.380 4.786 30 20 DJED Cc1cc(C)c(C#N)c(S[C@H](C)c2ccc(F)c(F)c2)n1 60422997 WBCDCZCNOKDPTF-LLVKDONJSA-N 304.365 4.702 30 20 DJED CC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cc(C)ccc1OC 91731416 DFHPHMNXDAMQEQ-HNAYVOBHSA-N 308.425 4.677 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(N3CCCCC3)cc2)cc1 107247141 RSELXVHXFRLHNS-AUWJEWJLSA-N 321.420 4.582 30 20 DJED C[C@@H](C#N)CSc1ccccc1NCCCC(C)(C)C#N 153928149 OCNVUXSVVICLFK-AWEZNQCLSA-N 301.459 4.680 30 20 DJED CSc1ccc(C)c(C(=O)N(CCC#N)c2ccc(C)cc2)c1 171028679 SYHOGHSVPDSNGT-UHFFFAOYSA-N 324.449 4.586 30 20 DJED C[C@@H]1Cc2ccccc2[C@@H]1Nc1cccc(OCCCC#N)c1 179824902 XNPFMWNOKHJDNZ-FOIQADDNSA-N 306.409 4.715 30 20 DJED N#Cc1ccsc1NC(=O)c1ccc(-c2ccccc2)s1 193272880 WVRAHFWUPDETKU-UHFFFAOYSA-N 310.403 4.601 30 20 DJED CCC[C@H](NC(=O)Nc1cc(C#N)ccc1C)c1ccccc1 195736901 UKIFGYXZGWPMJG-KRWDZBQOSA-N 307.397 4.530 30 20 DJED C[C@@H](Nc1ccc(C#N)cc1C(F)(F)F)c1ccc(C#N)cc1 301092254 MJHQUEZWFVEVNO-LLVKDONJSA-N 315.298 4.622 30 20 DJED C=CCOc1ccc(Oc2nc(C(F)(F)F)cs2)cc1 301798186 ZJFYEHMEQDJQFA-UHFFFAOYSA-N 301.289 4.519 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1cc2c(F)cccc2[nH]1 303450821 KLDCUFLUSNUXRY-UHFFFAOYSA-N 314.404 4.516 30 20 DJED C[C@@H](Sc1ncccc1Br)c1ccc(C#N)cc1 303765304 LUUPRNKWEZNZCF-SNVBAGLBSA-N 319.227 4.569 30 20 DJED Cc1cc(C#N)cc(N[C@@H]2C[C@H](C)Sc3sccc32)c1 308117117 BOLANNMZFGYYQZ-XHDPSFHLSA-N 300.452 4.966 30 20 DJED Cc1ccc([C@H]2OCCC[C@@H]2C(O)=Nc2cnc(C)s2)cc1 328786287 KTAYBJHMIIIMPA-GOEBONIOSA-N 316.426 4.516 30 20 DJED Cc1nc(C2CC2)oc1/C(O)=N/C1(c2ccccc2)CCCC1 329790193 SWKYYYFWBNSLNI-UHFFFAOYSA-N 310.397 4.635 30 20 DJED C=CCC[C@@H](NCc1cc(C)no1)c1ccc(C(F)(F)F)cc1 342192831 LZDDCLOXZNTQFA-MRXNPFEDSA-N 324.346 4.799 30 20 DJED C=CCCCCCN(C)C(=O)N[C@H](CC(F)F)c1ccccc1 422252413 BJKHXELKPKXWAC-MRXNPFEDSA-N 324.415 4.771 30 20 DJED C[C@@H](C#N)CSc1ccccc1NCCc1ccccc1F 432326595 PVWOFOVDTKDBNL-AWEZNQCLSA-N 314.429 4.732 30 20 DJED N#Cc1ccc(CSCc2nc(C3CC3)cs2)c(Cl)c1 438874907 HAHHOTPRCGAZPC-UHFFFAOYSA-N 320.870 4.979 30 20 DJED C=CC[C@H]1N(C(=O)c2nc3ccccc3s2)CCCC1(C)C 444636663 OINYDWMMWVMLCV-OAHLLOKOSA-N 314.454 4.503 30 20 DJED CO[C@@H](CNc1ccc(Cl)cc1C#N)c1cccc(Cl)c1 462959373 ZOTILSNFQVISAG-INIZCTEOSA-N 321.207 4.665 30 20 DJED CCCc1nc(CSc2ccc(C#N)cc2Cl)cs1 465386752 CNARNZRLRPABLN-UHFFFAOYSA-N 308.859 4.913 30 20 DJED C=CC[C@H](CC)NC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 466540568 KUAHDAQYXYXFHT-GJZGRUSLSA-N 313.363 4.670 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccccc1Cl 471114424 FEIQDTFEJMXMHD-UHFFFAOYSA-N 314.816 4.950 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 471173857 UXUMOLNWHSBNEK-GVDBMIGSSA-N 304.478 4.524 30 20 DJED C=C(C)COc1cccc(NCc2nn(CC)c3ccccc23)c1 472076656 SQDNTSSTCLQKLQ-UHFFFAOYSA-N 321.424 4.623 30 20 DJED CCCCN(CCCC)C(=O)C[C@H](CC#N)c1ccccc1 474892365 IWWCVKWSNIWHQN-SFHVURJKSA-N 300.446 4.503 30 20 DJED CCC1(CNC(=O)C[C@H](CC#N)c2ccccc2)CCCCC1 476685616 HBYDRPFPCIVYIF-SFHVURJKSA-N 312.457 4.551 30 20 DJED CCc1cccc(NC(=O)C[C@H](CC#N)c2ccccc2)c1CC 477110972 DGYKVYNMAAPURI-SFHVURJKSA-N 320.436 4.837 30 20 DJED C=CC[C@@H](C(=O)N(C)Cc1cc2ccccc2o1)c1ccccc1 489708652 WWUWZTMGWQNVJD-LJQANCHMSA-N 319.404 4.751 30 20 DJED C=CCOc1cccc(NC(=O)CCc2cc3ccccc3o2)c1 501154433 HJQLPLAASSBJKS-UHFFFAOYSA-N 321.376 4.569 30 20 DJED CC(C)(CCC#N)CN(Cc1cccc(F)c1)C1CCCC1 508777235 DJROPBPQORCDNG-UHFFFAOYSA-N 302.437 4.900 30 20 DJED CC[C@](C)(C#N)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 509988227 WNDGNNOKGQATIR-MGPUTAFESA-N 322.408 4.596 30 20 DJED CC(C)N(CCC#N)C(=O)CC1CCC(c2ccccc2)CC1 519433863 GKEWULJXWSUHHR-UHFFFAOYSA-N 312.457 4.501 30 20 DJED C=CCCC(=O)N(Cc1cc(C)nc2ccccc12)C1CCCC1 521136828 VGJRFGYEKGGCJT-UHFFFAOYSA-N 322.452 4.781 30 20 DJED CC(C)(C#N)CCN[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 526087087 GYZXIZMJKUCXIW-GDBMZVCRSA-N 324.390 4.871 30 20 DJED COc1cc(C#N)ccc1CN[C@@H](c1ccccc1C)C(C)(C)C 537157239 VJAYZTZDDPLNRO-FQEVSTJZSA-N 322.452 4.752 30 20 DJED C=CCC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 537950247 NYWZHQKGXXJJAA-BEFAXECRSA-N 310.397 4.953 30 20 DJED Cc1ccc([C@H]2CCCN2c2ccc3cc(C#N)ccc3n2)cc1 540079077 MZOWBBDOBKFJQU-HXUWFJFHSA-N 313.404 4.756 30 20 DJED CC(C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 541998905 HXGBQAIMFZSCQJ-CVEARBPZSA-N 320.436 4.695 30 20 DJED C[C@H](NC(=O)CC1CCC1)c1ccc(-c2cccc(C#N)c2)cc1 543858194 UMOPZOVLSKYYOM-HNNXBMFYSA-N 318.420 4.593 30 20 DJED C=CCCO[C@H](C)c1nc(CCCc2ccccc2Cl)no1 544937506 MPBYRSYLMNLKLX-CYBMUJFWSA-N 320.820 4.552 30 20 DJED C=CCSc1ccccc1NC(=O)CSC(CC)CC 562652227 ZEPCRUQTOJEEEU-UHFFFAOYSA-N 309.500 4.825 30 20 DJED Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)CCCCCC#N)cc1 588639227 YHJNWOQYSHNECC-XLIONFOSSA-N 312.457 4.769 30 20 DJED Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)CCCCCC#N)cc1 588649814 MCSDIMVYVVDZLD-RBUKOAKNSA-N 312.457 4.564 30 20 DJED C[C@@H](Nc1nc2c(cc1C#N)CCCC2)c1cc2ccccc2o1 589798892 QHYCTGPDJHKJPK-CYBMUJFWSA-N 317.392 4.751 30 20 DJED N#Cc1nc(N2CCC[C@@H]2c2ccc(Cl)cc2)sc1Cl 596073370 MYKGEDRVDZLYDU-GFCCVEGCSA-N 324.236 4.663 30 20 DJED Cc1ccc(CN(C(=O)CC2(C#N)CCCCC2)C(C)C)s1 596921389 GOQRHJSBUPSAMC-UHFFFAOYSA-N 318.486 4.658 30 20 DJED CCC[C@@H](C)N(C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 609986770 CEEDLGDXLIGPJT-OAHLLOKOSA-N 321.424 4.562 30 20 DJED COc1ccc(-c2cc(CSCCC(C)(C)C#N)on2)cc1 616296226 HJCAXIXIWJGYQL-UHFFFAOYSA-N 316.426 4.523 30 20 DJED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)s1 618807292 UAKVLSRIPGFNAV-QMTHXVAHSA-N 302.830 4.611 30 20 DJED C[C@@H](Nc1ccc(C(=O)C(C)(C)C)cc1)c1cccc(C#N)c1 630061064 GQEVOMKITFDGBK-CQSZACIVSA-N 306.409 4.960 30 20 DJED O=C(/C=C/c1ccc(OC(F)F)c(Cl)c1)c1cccc(O)c1 731489323 COPMMJQUXWAROV-GQCTYLIASA-N 324.710 4.543 30 20 DJED CC(C[C@H]1CCOC1)=NNc1c(Cl)cc(Cl)cc1Cl 751516268 HCBAWDBCHQJMOT-SECBINFHSA-N 321.635 4.861 30 20 DJED CC(C)Oc1c(F)cc(N[C@@H](C)c2cccc(C#N)c2)cc1F 753736820 GLMDOIOAKCGEST-LBPRGKRZSA-N 316.351 4.797 30 20 DJED Fc1ccc(Cl)cc1C=NOc1ccccc1C(F)(F)F 754713091 YZYZIKINUCAUPG-UHFFFAOYSA-N 317.669 4.911 30 20 DJED C#CC[C@H](NCc1ccc(N2CCCCC2)cc1)c1ccccc1 756998428 UYZXQHQVZXOZHS-QFIPXVFZSA-N 318.464 4.531 30 20 DJED O=C(/C=C\c1ccc(C(F)(F)F)s1)c1ccc(F)cc1F 761476298 GMZRRIQBOWFNOG-DJWKRKHSSA-N 318.266 4.941 30 20 DJED CCc1cnccc1C(C)=NNc1nc(-c2ccccc2)cs1 765567941 CEAHGOSIMSKOPK-UHFFFAOYSA-N 322.437 4.604 30 20 DJED CC(C)(C#N)CCCCOC(=O)[C@@H]1CCc2c(Cl)cccc21 768830290 FAIOJFRNIDMTDP-OAHLLOKOSA-N 319.832 4.633 30 20 DJED CC(=NNc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cn1 774364973 XJPKIJCLPSHQEJ-UHFFFAOYSA-N 314.603 4.878 30 20 DJED CCc1nc(C)c(C(C)=NNc2nc3ccccc3cc2C)s1 776785244 UOTYTUWOEMFTRI-UHFFFAOYSA-N 324.453 4.707 30 20 DJED C=CCSc1ccccc1C(=O)Nc1cnc(Cl)c(C)c1 776853574 HXXNGMKKVDMRLK-UHFFFAOYSA-N 318.829 4.574 30 20 DJED C=CCN(C(=O)N[C@H](CC1CCC1)c1ccccc1)C(C)C 779382392 RSRCBCHJRSFKQS-GOSISDBHSA-N 300.446 4.524 30 20 DJED Cc1c(C(=O)/C=C/c2ccccc2C2CC2)cnn1C(C)(C)C 787187181 YOTCWWXJVVPISA-VAWYXSNFSA-N 308.425 4.720 30 20 DJED CC(C)(C#N)CCSCc1c(F)c(F)c(F)c(F)c1F 790552366 IROKEJQXUNZHIK-UHFFFAOYSA-N 309.303 4.555 30 20 DJED C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1ccc(F)cc1 795989062 DHROJOMWCOKGLZ-PBHICJAKSA-N 311.356 4.517 30 20 DJED CC[C@@H]1CCCC[C@@H]1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797567443 IGNRGAGMOXLYSF-RDBSUJKOSA-N 318.486 4.833 30 20 DJED Clc1cccc([C@@H]2CCC(=NNc3ccc(Cl)nn3)C2)c1 841603217 FYCWRVRHFKLXGM-LLVKDONJSA-N 321.211 4.519 30 20 DJED Cc1cc(C)c([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c(O)c1 841761330 IIRDCPIWBUCWJC-HNAYVOBHSA-N 320.436 4.609 30 20 DJED C=C[C@H](CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1)c1ccccc1 842940659 HWJNGKLDRUSDDI-CZUORRHYSA-N 322.433 4.557 30 20 DJED C=CCN(Cc1ccccc1)C(=O)/C=C/Sc1ccccc1 914611004 WOKUOENILXDSEE-FYWRMAATSA-N 309.434 4.507 30 20 DJED CC(=NNc1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 916247064 XTKFXWJAOUWSQE-UHFFFAOYSA-N 310.731 4.778 30 20 DJED C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc2ccccc2c1 1124243760 QIGVGIGUTZSNIX-HNNXBMFYSA-N 314.388 4.529 30 20 DJED CCCC[C@H](C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1129202910 JYFCJRYHWBTQTQ-ZDUSSCGKSA-N 302.418 4.500 30 20 DJED CC[C@H]1CN(Cc2ccc(F)cc2C#N)CC[C@@H]1c1ccccc1 1167603773 ZLQHUKBGWKMLOK-KKSFZXQISA-N 322.427 4.713 30 20 DJED C[C@H](S[C@@H](C#N)C1CC1)c1ccc(OC(F)(F)F)cc1 1188683708 IIEBEIPCRQWOIP-ZANVPECISA-N 301.333 4.682 30 20 DJED C[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)CCc2ccc(Cl)cc21 1195768083 QCFVGNNACPUROE-CABCVRRESA-N 324.855 4.934 30 20 DJED N#Cc1cccc(C#N)c1N[C@H]1CC=C(c2ccc(F)cc2)CC1 1307079707 VZJZRLYFXHYPFB-IBGZPJMESA-N 317.367 4.617 30 20 DJED N#Cc1ccc(SC[C@H]2CCC3(CCCC3)O2)c(Cl)c1 1307317288 GKFGZHUFXCUXPR-CYBMUJFWSA-N 307.846 4.796 30 20 DJED CCc1ccc(C2CCN(Cc3ccc(C#N)cc3F)CC2)cc1 1308889629 MMEGPBZNFGKIIS-UHFFFAOYSA-N 322.427 4.639 30 20 DJED CCC(C)(C)c1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1 1359887623 ORJPXRUZTJGXQN-UHFFFAOYSA-N 314.473 4.776 30 20 DJED Cc1cc(C)c(/C=C\CN(C)Cc2cccc(C#N)c2)c(C)c1 1474401664 QYBFCFZKCICNJI-TWGQIWQCSA-N 304.437 4.629 30 20 DJED C[C@@H](CC(=O)Nc1ccc(C#N)cc1Cl)C1CCCCC1 1534932613 VITUUVZTTWDJCL-LBPRGKRZSA-N 304.821 4.757 30 20 DJED CCc1nnc(SC2CCC(C)(C)CC2)c(C#N)c1CC 1559167129 ONDXQHLDDPLRDT-UHFFFAOYSA-N 303.475 4.534 30 20 DJED Cc1ccc(-c2cc(CSc3ccc(C#N)cc3)on2)cc1 1613488640 POMZXDFUOLBCRC-UHFFFAOYSA-N 306.390 4.814 30 20 DJED CCc1ccc(CN(Cc2ccc(C#N)cc2)CC(C)C)cc1 1615318271 GREPFAXLNVAAIZ-UHFFFAOYSA-N 306.453 4.779 30 20 DJED CC(C)(C)c1ccc(C#N)c(NCC2(Cc3ccccc3)CC2)n1 1639670563 JFHPDWSYGDBRMH-UHFFFAOYSA-N 319.452 4.686 30 20 DJED Cc1ccc(OC(F)F)c(CSc2cccc(C#N)c2)c1 1640957318 NJKYNGLFCSCXLR-UHFFFAOYSA-N 305.349 4.760 30 20 DJED CCC(CC)CN(CC)Cc1ccc(C#N)cc1Br 1644318126 XNEOLACFNAAXGP-UHFFFAOYSA-N 323.278 4.579 30 20 DJED CC(C)CN(CCC(C)(C)C#N)Cc1ccc(F)c(Cl)c1 1647875193 BKUGECIEGAKMOR-UHFFFAOYSA-N 310.844 4.877 30 20 DJED CC(C)(C#N)c1ccccc1CN1CC[C@H](Cc2ccccc2)C1 1652568583 XAXACACGBXMWBV-LJQANCHMSA-N 318.464 4.552 30 20 DJED CCCC[C@H](CC)CCCN(C)c1c(C#N)nnc2ccccc12 1655687313 DLQZNQSZMWGPDQ-INIZCTEOSA-N 324.472 4.934 30 20 DJED C[C@@H](CCC#N)CN1Cc2ccccc2[C@@H](c2ccccc2)C1 1658301799 VRKVOOILFUNKNO-LAUBAEHRSA-N 304.437 4.574 30 20 DJED C[C@H](C#N)CSc1ccccc1NCc1cccnc1Cl 81157767 OFVZVKQJCKHEMY-GFCCVEGCSA-N 317.845 4.599 30 20 DJED CCCOc1ccc(NCc2ccc(C#N)s2)cc1Cl 157449607 LJLZYVDCMPHXLD-UHFFFAOYSA-N 306.818 4.674 30 20 DJED C=C(Br)CN[C@H](c1ccccc1)C1CCCCC1 161378709 PKGPXYFQKQMWJF-MRXNPFEDSA-N 308.263 4.806 30 20 DJED COc1ccc(-c2nc(CSc3ccccc3C#N)co2)cc1 172680061 FPQJKMXFPUESEZ-UHFFFAOYSA-N 322.389 4.514 30 20 DJED C/C=C(\C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 175824689 GULORKXJBORPFX-DQNSSFAQSA-N 324.811 4.900 30 20 DJED C#CCC(C)(C)C(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 186088134 DMACKFZYJLYLLC-INIZCTEOSA-N 320.436 4.848 30 20 DJED Cc1ccc([C@@H](C)NCc2cccc(OCCCC#N)c2)cc1 237333044 JMPLCCRYILAICC-QGZVFWFLSA-N 308.425 4.528 30 20 DJED Cc1ccc(CNc2ccc(C#N)c(C(F)(F)F)c2)cc1F 303429652 WMEZUPCSLKADIP-UHFFFAOYSA-N 308.278 4.637 30 20 DJED CCCN(CCCCC#N)[C@@H]1C[C@H](OCC)C12CCCCC2 303841742 BTVQCTKZDLGBAC-MSOLQXFVSA-N 306.494 4.520 30 20 DJED Cc1cccc(N=C(O)C2CCC(/N=C(/O)C3CC3)CC2)c1C 329983613 BJPKZUPODPYEKK-UHFFFAOYSA-N 314.429 4.817 30 20 DJED N#CCCCOc1cccnc1NCc1ccc2ccccc2c1 341950445 OALRPKHCXMCXRK-UHFFFAOYSA-N 317.392 4.529 30 20 DJED Cc1ccc(OCCCC2(C#N)CCOCC2)c2ccccc12 419081782 SDAJZLNYWMHICE-UHFFFAOYSA-N 309.409 4.628 30 20 DJED Cc1cncc(CSc2nc(-c3ccccc3)ccc2C#N)c1 442913252 PRYQJASDXSUCQQ-UHFFFAOYSA-N 317.417 4.616 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1ccc(C#N)c(C)c1 443967612 OQBIVWCKVKLKFC-SFHVURJKSA-N 308.425 4.571 30 20 DJED CCN(CCCCC(C)(C)C#N)[C@@H](C)c1cccc(OC)c1 444601810 ZOVJJMPBPMOOBG-INIZCTEOSA-N 302.462 4.798 30 20 DJED CCCOCc1ccccc1CN[C@@H](CC)c1ccc(C#N)cc1 447528969 KFDOPYHCCCIHGA-NRFANRHFSA-N 322.452 4.726 30 20 DJED CC(C)[C@H]1N(C(=O)C[C@@H](CC#N)c2ccccc2)CC12CCCC2 457146705 PKBFRZPKAZIYLR-UYAOXDASSA-N 324.468 4.501 30 20 DJED C=CC[C@H]1N(C(=O)C[C@H](CC#N)c2ccccc2)CCCC1(C)C 477117394 DBMURXOCJMUEPH-RBUKOAKNSA-N 324.468 4.667 30 20 DJED CC[C@@H](NCc1ccc(Cl)cc1C#N)c1ccc(F)cc1F 480874084 PYYPDKUZAMXNBR-QGZVFWFLSA-N 320.770 4.731 30 20 DJED CCc1cc(C(=O)[C@H](C#N)c2nccc3ccccc23)sc1C 483241804 TUAOAMWYASGAEK-MRXNPFEDSA-N 320.417 4.657 30 20 DJED Cc1cccc(NC(=O)c2sc3ccc(C#N)cc3c2C)c1F 497892422 IOHAMWSJRXVKBZ-UHFFFAOYSA-N 324.380 4.781 30 20 DJED Cc1cccc(CN(CC(C)C)C(=O)Nc2ccc(C#N)cc2)c1 520153152 NQLWSPZZNOZEFP-UHFFFAOYSA-N 321.424 4.557 30 20 DJED C=CC1CCN(C(=O)c2ccccc2Sc2ccccc2)CC1 525138284 JTNATYRZWGZJGZ-UHFFFAOYSA-N 323.461 4.876 30 20 DJED Cc1cccc([C@@H]2CCCN2Cc2cc(C#N)ccc2F)c1C 525634656 ISMASFNZRUKIQF-FQEVSTJZSA-N 308.400 4.651 30 20 DJED C=CCC(CC=C)C(=O)Nc1cc(-c2ccccc2)cnc1C 534074972 AZRIUVIQSFDJRW-UHFFFAOYSA-N 306.409 4.764 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1ccc(CC)c(C)c1 539872158 HNKDJFBBNTZXMP-UHFFFAOYSA-N 314.454 4.839 30 20 DJED C/C(=C/c1ccccc1C(F)(F)F)CN(C)CC(C)(C)C#N 552086114 YEUAUMFMBCBUEY-LCYFTJDESA-N 310.363 4.590 30 20 DJED C[C@@H](N[C@H]1C[C@H](c2ccccc2Cl)C1)c1ccc(C#N)cc1 556259701 FQWYFKNXJYXACT-KBRIMQKVSA-N 310.828 4.808 30 20 DJED CC(C)Sc1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1 560172677 BWDXRGQWKZMNNR-UHFFFAOYSA-N 322.477 4.838 30 20 DJED CC[C@H](NCc1ccc(C#N)c(OC)c1)c1ccc(Cl)s1 562102904 HNUPMTGLMZWDIF-ZDUSSCGKSA-N 320.845 4.523 30 20 DJED CCCOc1ccc(NC(=O)CCCCCC#N)cc1Cl 588152661 IYFWRIVOZVJGIU-UHFFFAOYSA-N 308.809 4.541 30 20 DJED C[C@H](Oc1ccccc1N[C@@H]1CCC[C@@H](C#N)C1)C(F)(F)F 589209734 RIHYTECUQSMRNE-YNEHKIRRSA-N 312.335 4.510 30 20 DJED C[C@@H](N[C@H]1CC(C)(C)Oc2ccc(F)cc21)c1cccc(C#N)c1 593723202 SGMDAKSCGRWNQF-ACJLOTCBSA-N 324.399 4.650 30 20 DJED N#C[C@@H](Cc1ccccc1)Sc1nc2cc(Cl)ccc2o1 597230307 FYTFDKFZRBTGDR-CYBMUJFWSA-N 314.797 4.708 30 20 DJED COc1cc(C#N)ccc1CNC(C)(C)c1ccc(C(C)C)cc1 611236085 FJMLLDWUMVDOMT-UHFFFAOYSA-N 322.452 4.715 30 20 DJED C[C@@H](NC1c2ccccc2-c2ccccc21)c1cccc(C#N)c1 611388175 DIRBYGMRHRHTSZ-OAHLLOKOSA-N 310.400 4.979 30 20 DJED COc1cccc2c(S[C@@H](C)c3cccc(C#N)c3)ccnc12 615466752 ISLIUNWOOITYBL-ZDUSSCGKSA-N 320.417 4.968 30 20 DJED CC1(C)/C(=C\C2=Cc3ccccc3OC2)C(=O)c2ccccc21 726743860 RRJGTRQRDIIOEJ-PDGQHHTCSA-N 302.373 4.563 30 20 DJED COc1cccc2cc(/C=C3\CCc4sccc4C3=O)oc12 726894420 ZHWKVHVUVQJVPY-PKNBQFBNSA-N 310.374 4.715 30 20 DJED Cc1ccc2c(c1)C/C(=C\c1cnc(-c3ccccc3)s1)C2=O 727266817 GRVLFMZXURRVGP-LFIBNONCSA-N 317.413 4.941 30 20 DJED Cc1ccccc1C(=NNc1ncc(Cl)cc1Cl)C1CC1 731923914 JLVGZIAONHZGSK-UHFFFAOYSA-N 320.223 4.923 30 20 DJED C(=NNc1cccc2ccccc12)c1ccc(N2CCCCC2)o1 747060540 WDGHCUHWAXGORO-UHFFFAOYSA-N 319.408 4.869 30 20 DJED N#C[C@H](C(=O)[C@H]1CC12CCCC2)c1nc(-c2ccccc2)cs1 747480773 VNPNZZKPVSWQIJ-HUUCEWRRSA-N 322.433 4.567 30 20 DJED N#Cc1csc(/C=C2\Cc3c(ccc(Cl)c3Cl)C2=O)c1 748440947 TYZWUQCRUADDAD-RUDMXATFSA-N 320.200 4.749 30 20 DJED Oc1ccc2ccccc2c1C=Nc1ccc2scnc2c1 750950057 NEPNVKBIJSSBQX-UHFFFAOYSA-N 304.374 4.906 30 20 DJED COc1cccc2cc(/C=C/C(=O)c3cc(F)cc(F)c3)oc12 755705152 NEVLFFXYFSVNRE-AATRIKPKSA-N 314.287 4.616 30 20 DJED Cc1ccc(OC(F)F)c(C(=O)/C=C/c2cccnc2Cl)c1 762606267 YSZKZTCQORKYMW-AATRIKPKSA-N 323.726 4.541 30 20 DJED CC(C)N(CC1(C#N)CC1)c1ccc(Nc2ccccc2)cc1 767118766 KMVNQEJDIDUJHP-UHFFFAOYSA-N 305.425 4.949 30 20 DJED CSCc1ccc(N[C@H](C)c2ccc(C#N)c(F)c2)cc1 777674058 WRKWRIBCQZVBPU-GFCCVEGCSA-N 300.402 4.733 30 20 DJED Cn1ncc(Cl)c1/C=C\C(=O)c1cccc(-c2ccccc2)c1 780186058 CYQGZKOVPXMVDG-KHPPLWFESA-N 322.795 4.637 30 20 DJED C#CCC1(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)CCCCC1 788461368 LFXGHZWJQLKLOC-UHFFFAOYSA-N 306.409 4.594 30 20 DJED CC[C@H](CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)C(C)C 797568021 NJBSNTKUJYQFSZ-OLZOCXBDSA-N 306.475 4.689 30 20 DJED CC(CC(C)(C)C#N)=NNc1nc2ccc(Cl)cc2s1 853438630 IJZHFHKPHNSVMY-UHFFFAOYSA-N 306.822 4.677 30 20 DJED O=C1/C(=C/c2ccc(Cl)cc2)CCOc2ccc(F)cc21 861416115 HZRXKTMCNGFFKP-FMIVXFBMSA-N 302.732 4.528 30 20 DJED C=C1CCC(c2nc(-c3cccc(Br)c3)no2)CC1 904289954 QSWHDRFYEKAPHJ-UHFFFAOYSA-N 319.202 4.713 30 20 DJED O=C(/C=C\c1ccc(-c2ccccc2F)s1)c1cccnc1 912773460 UBMJRTMTDKXWFV-CLFYSBASSA-N 309.365 4.845 30 20 DJED CC(=NNc1ccccc1Cl)c1[nH]c(-c2ccccc2)nc1C 915110334 RPEPJEWDVUBCOT-UHFFFAOYSA-N 324.815 4.875 30 20 DJED C[C@H](CCC(C)(C)C)C(=O)N(C)c1ccc(C#N)c(Cl)c1 1131995649 FVMCUGDRCLQBTI-GFCCVEGCSA-N 306.837 4.637 30 20 DJED Cc1cccc(C2=CCN([C@H](C)c3ccc(C#N)cc3)CC2)c1 1192556918 JFUJXBNJVNCNEN-QGZVFWFLSA-N 302.421 4.717 30 20 DJED CC(C)[C@H](CNCc1ccc(C#N)cc1)c1ccc(Cl)cc1 1202299817 STSVDAUCAFBEDB-IBGZPJMESA-N 312.844 4.741 30 20 DJED CCc1oc2ccccc2c1CN(C)Cc1ccc(C#N)c(C)c1 1205023312 BCABOJHOFXBIOQ-UHFFFAOYSA-N 318.420 4.807 30 20 DJED CC(C)CC[C@H](C)NC(=O)Nc1scc(C(C)(C)C)c1C#N 1205528534 LKSSASBWWFLLLR-LBPRGKRZSA-N 321.490 4.863 30 20 DJED C[C@H](NC(=O)c1ccc(C2CCCC2)cc1)c1ccc(C#N)cc1 1264420987 PQRLJCCVEPGJIN-HNNXBMFYSA-N 318.420 4.707 30 20 DJED CCOc1cccc(Cl)c1CN(CCC#N)CC(CC)CC 1307515680 XDPTYGKPUBXRDM-UHFFFAOYSA-N 322.880 4.891 30 20 DJED CC[C@H](C)c1ccc([C@H](C)NCc2cccc(OCC#N)c2)cc1 1331296395 JHWANLTVZOKSBJ-IRXDYDNUSA-N 322.452 4.953 30 20 DJED C=CCC[C@H]1CCCN1C(=O)Nc1ccccc1C(C)(F)F 1345334623 FWGDWDFOPFEIRC-ZDUSSCGKSA-N 308.372 4.761 30 20 DJED CCC1(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCC1 1456162961 IPRLIQVVZJTUDG-UHFFFAOYSA-N 320.392 4.869 30 20 DJED C[C@@H](CSc1nc(C(F)(F)F)ccc1C#N)C(C)(C)C 1459030779 CZYCBRNJESRQKV-VIFPVBQESA-N 302.365 4.746 30 20 DJED Cc1ccccc1-c1nsc(N[C@@H](C)c2cccc(C#N)c2)n1 1472876047 LWTKYISJOPGBGK-ZDUSSCGKSA-N 320.421 4.558 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)[C@@H](C)C3CCC3)c2C#N)[C@@H](C)C1 1527031375 ABIHTLGYPUTUCI-SRVKXCTJSA-N 316.470 4.680 30 20 DJED C[C@@H]1CCc2sc(NC(=O)C3(F)CCCC3)c(C#N)c2[C@@H]1C 1534584452 SMMPBFUMTJTXPQ-GHMZBOCLSA-N 320.433 4.526 30 20 DJED CCCCN(Cc1ccc(CC#N)cc1)Cc1ccccc1F 1559519331 ZPPXFZDBLVHVBY-UHFFFAOYSA-N 310.416 4.694 30 20 DJED CC(C)c1ccc(C[C@@H](C)Nc2ncc(C#N)cc2Cl)cc1 1612145684 USOKXHNJPIKOFD-CYBMUJFWSA-N 313.832 4.773 30 20 DJED C[C@@H](c1cc(F)ccc1F)N(C)CCC1(C#N)CCCCC1 1615188598 ZMRHZOAERAVRQX-AWEZNQCLSA-N 306.400 4.822 30 20 DJED C[C@@H](CCC#N)N[C@@H](C)c1ccccc1OCc1ccccc1 1616914277 GLBSSHSDNWIDKE-IRXDYDNUSA-N 308.425 4.608 30 20 DJED CC[C@H](C#N)C(=O)N[C@H](c1ccc([C@H](C)CC)cc1)C(C)C 1629402280 ZVSKLVJTTFTPJR-RKVPGOIHSA-N 300.446 4.563 30 20 DJED Cc1cccc(CCCN2CC=C(c3ccc(C#N)cc3)CC2)c1 1642576757 RJLOZSCZKFCFRJ-UHFFFAOYSA-N 316.448 4.589 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCC[C@@H](c2ccccc2)CC1 1644516121 PANYUIXBVQSLKL-QGZVFWFLSA-N 324.855 4.981 30 20 DJED CC1(C)CCC[C@H]1N(Cc1ccccc1)Cc1cc(C#N)ccn1 1644739446 SJQGSFYGVGYUEI-HXUWFJFHSA-N 319.452 4.534 30 20 DJED Cc1nsc(Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n1 1651416420 VDKSNAKKYNZGEC-UHFFFAOYSA-N 322.393 4.563 30 20 DJED COc1c(Oc2snc(Cl)c2C#N)ccc2ccccc12 1651860769 NLIMEEXUSBANON-UHFFFAOYSA-N 316.769 4.622 30 20 DJED N#Cc1cc(CN(c2ccccc2F)C2CCCC2)ccc1F 1652767108 UPQYTMDNXMEJMB-UHFFFAOYSA-N 312.363 4.786 30 20 DJED C[C@H](CN1CCC[C@H]1[C@@H](C#N)c1ccccc1)C1CCCCC1 1658899263 LHYJSWPCUYCLQY-QMMLZNLJSA-N 310.485 4.975 30 20 DJED C=C(CNC(=O)NC[C@@H](CCC)CCCC)c1ccccc1 1670287364 JJGBQQFKFVLFFL-KRWDZBQOSA-N 302.462 4.606 30 20 DJED C[C@@H](CCNC(=O)Nc1ccc(C#N)c(Cl)c1)CC(C)(C)C 1672793799 IGNHWJFXDANIDM-LBPRGKRZSA-N 321.852 4.796 30 20 DJED CC(C)[C@H]1/C(=C/c2ccc(C(=O)O)c(F)c2)C(=O)c2ccccc21 1776308851 QSMVYMRVKWVIGB-YZIPPPLESA-N 324.351 4.543 30 20 DJED C=CCN(CC=C)C(=O)c1cccc(-c2ccccc2OCC)c1 93204782 PWRXJNDYRYQQNN-UHFFFAOYSA-N 321.420 4.567 30 20 DJED CCC[C@@H](CC)NC(=O)Nc1ccccc1SC[C@@H](C)C#N 108533157 PEMASQMVVSMFIV-UONOGXRCSA-N 319.474 4.639 30 20 DJED CC[C@@H](CC(=O)[C@@H](C#N)c1nc(C)cs1)c1ccc(C)cc1 121512348 CBYXXPQQDCAQCK-GOEBONIOSA-N 312.438 4.520 30 20 DJED C[C@H](N[C@@H](C)c1cc2c(s1)CCCC2)c1ccc(C#N)cc1 154328153 OWSXKWUFGWZFLQ-KBPBESRZSA-N 310.466 4.910 30 20 DJED Cc1cc(C)c(NC(=O)N[C@H](CCC#N)c2ccccc2)c(C)c1 159607698 YEMFQLKBWQFKKU-GOSISDBHSA-N 321.424 4.778 30 20 DJED Cc1cccc(Oc2ccccc2NC(=O)NCCCCC#N)c1 171361010 XWHZCVOQXCXMIB-UHFFFAOYSA-N 323.396 4.603 30 20 DJED C[C@@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1cccc(C#N)c1 174357821 VODUPBGFCVHYLB-VXGBXAGGSA-N 302.780 4.763 30 20 DJED CSc1ccc2c(c1)CC/C(=C\c1cc(C#N)cs1)C2=O 176844139 PZTVJGHHEAEHER-MDWZMJQESA-N 311.431 4.554 30 20 DJED Cc1ccc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc1Cl 177750020 JNYXQWUTLSCCCG-LBPRGKRZSA-N 318.829 4.718 30 20 DJED C[C@H](N[C@H](C)c1cccc(N2CCCC2)c1)c1cccc(C#N)c1 181886214 UMQJNMCKKDZVGQ-DLBZAZTESA-N 319.452 4.570 30 20 DJED N#C[C@H]1CCC[C@H](N[C@@H]2CCSc3ccc(Cl)cc32)C1 185805269 FBRGAZSEWFZLPB-CORIIIEPSA-N 306.862 4.549 30 20 DJED CC(C)CCOc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1 236583261 FKHLITSYWUBELS-QGZVFWFLSA-N 322.452 4.834 30 20 DJED CC(C)Oc1ccccc1NC1CC(C#N)(c2ccccc2)C1 236688343 WEIHCGUCWJZTTL-UHFFFAOYSA-N 306.409 4.510 30 20 DJED Cc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)o1 264500104 LBUYASLBTULNNE-GFCCVEGCSA-N 314.410 4.543 30 20 DJED CCCC[C@@H](NCc1ccc(OCC#N)cc1)c1ccccc1 266771852 JUEZYQQQGSZCQT-HXUWFJFHSA-N 308.425 4.610 30 20 DJED CC[C@H](NCc1nc(C(C)(C)C)cs1)c1ccc(C#N)cc1 278818351 SGLGZGHSRPASJW-HNNXBMFYSA-N 313.470 4.553 30 20 DJED C[C@@H](Nc1cc(C#N)ccc1C(F)(F)F)c1ccc(C#N)cc1 302252298 XEQOQISSRTZKRV-LLVKDONJSA-N 315.298 4.622 30 20 DJED Cc1noc(C)c1[C@H](C)C/C(O)=N/C[C@@H]1C[C@H]1C1CCCCC1 329342301 PMQYPHDXQUXMRK-DQYPLSBCSA-N 318.461 4.958 30 20 DJED CC(C)c1cc(/C(O)=N/[C@@H]2CC[C@H](c3ccc(F)cc3)C2)no1 329930310 ZPEADIOMJCXJTH-DZGCQCFKSA-N 316.376 4.578 30 20 DJED C=CC[C@H](CC)NC(=O)N[C@H]1CCSc2ccc(Cl)cc21 346601722 JKEGBSJQHKMNIN-JSGCOSHPSA-N 324.877 4.531 30 20 DJED CC(C)(CCC#N)CNC1CC(c2ccc(C(F)(F)F)cc2)C1 371798957 HQJLMJJPSMZXQX-UHFFFAOYSA-N 324.390 4.871 30 20 DJED C=C(C)C(C)(C)C(=O)N1CCC(c2cccc(Cl)c2)CC1 424810613 KLIKAMOEUDXNKM-UHFFFAOYSA-N 305.849 4.648 30 20 DJED CC(C)(C#N)CC(=O)N[C@@H](CC1CCCCC1)c1ccccc1 429657293 FGTZCHLYUGXLHO-SFHVURJKSA-N 312.457 4.754 30 20 DJED N#C[C@H]1CCC[C@@H](N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C1 436308078 SNBDRJHOSVQEBA-SDNTUTLCSA-N 322.374 4.623 30 20 DJED C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 437277196 PIPYKSZAHBSERQ-PEYYIBSZSA-N 312.240 4.568 30 20 DJED C[C@@H](c1ccc(F)cc1)N(C)Cc1ccc(C#N)cc1Cl 439437218 YZEMLKZULZPWRM-LBPRGKRZSA-N 302.780 4.544 30 20 DJED Cc1cccc(COc2cccc(N[C@@H]3CC[C@H](C#N)C3)c2)c1 442864471 ZTMYUVZQOWDDJR-QFBILLFUSA-N 306.409 4.678 30 20 DJED COc1ccc([C@H](NCCCCC(C)(C)C#N)C(C)C)cc1 444690205 RLDFZIDGXCTBRM-GOSISDBHSA-N 302.462 4.702 30 20 DJED CC(C)Oc1ccc2ccccc2c1CN[C@H]1CCC[C@@H](C#N)C1 446758095 FUFOFIOLXTZRBC-AEFFLSMTSA-N 322.452 4.799 30 20 DJED CCC(=O)Nc1ccc(C)c(N[C@@H](CC)c2ccc(C#N)cc2)c1 447582880 ACSQHODZJWLXOK-SFHVURJKSA-N 321.424 4.778 30 20 DJED N#CC[C@@H]1CC[C@H](NCc2ccc(-c3ccccc3)cc2F)C1 449445536 JNQCPDJTKWEJTG-KXBFYZLASA-N 308.400 4.665 30 20 DJED N#CCc1ccccc1NC(=O)c1ccc(C2=CCCC2)cc1 464492951 BFTAPNMEWSYBOK-UHFFFAOYSA-N 302.377 4.572 30 20 DJED C[C@H](CC1CCCC1)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 464956661 WJPCQCTXQGKYGT-LSTHTHJFSA-N 324.468 4.501 30 20 DJED C=CCN(Cc1cccc(C#N)c1)Cc1cccc(C(F)F)c1 470715081 BQLMQRSIZRRIAM-UHFFFAOYSA-N 312.363 4.684 30 20 DJED CC[C@@H](NCc1ccc(Cl)cc1C#N)c1cc(F)ccc1F 480866906 FNWBLHIGPFLWJX-QGZVFWFLSA-N 320.770 4.731 30 20 DJED C=CCCC1(C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)CC1 483801304 QMWAEXPYCUIJMP-AWEZNQCLSA-N 320.502 4.841 30 20 DJED C=CCC1(C(=O)Nc2cc3sc(C)nc3cc2Cl)CCC1 484703891 MKPCQCLTWAYIAC-UHFFFAOYSA-N 320.845 4.943 30 20 DJED CCC(CC)[C@@H](C)C(=O)N(Cc1ccco1)c1ccccc1C#N 535586123 CQRXZJOPDCVOJX-OAHLLOKOSA-N 324.424 4.757 30 20 DJED CCN(C(=O)CC1CCCCC1)c1ccc(C#N)c(Cl)c1 540273344 IMHQQPFWNWZQOV-UHFFFAOYSA-N 304.821 4.535 30 20 DJED Cc1cc(NC(=O)N2CCC(CCC#N)CC2)c2ccccc2c1 564451065 QIKIAFZWKMAQTP-UHFFFAOYSA-N 321.424 4.696 30 20 DJED CC(C)(C#N)CC[S@@](=O)Cc1ccc(-c2ccccc2)cc1 567662450 MNSRCUWQAINDAE-JOCHJYFZSA-N 311.450 4.542 30 20 DJED N#Cc1cc(NC(=O)c2cscc2-c2ccccc2)ccc1F 572414436 WUCMVSCTNRXDDA-UHFFFAOYSA-N 322.364 4.678 30 20 DJED N#CCCCCCC(=O)NCc1ccc(C2CCCCC2)cc1 590073221 FWGRQHZCMNARDO-UHFFFAOYSA-N 312.457 4.825 30 20 DJED C=CC1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CC1 600419250 ZAJSDIKRJQJDKV-UHFFFAOYSA-N 323.223 4.513 30 20 DJED C=CCn1c(C)nnc1SCCCc1cccc2ccccc12 605446372 BXEVZZCPRGGCKT-UHFFFAOYSA-N 323.465 4.651 30 20 DJED CC[C@H](C)n1ncc(N[C@@H]2CCCc3cc(C#N)ccc32)c1C 616365816 SIIYPNCXRYDHFK-SCLBCKFNSA-N 308.429 4.524 30 20 DJED C=CCc1ccccc1OCc1coc(-c2ccc(OC)cc2)n1 635275992 CQZHJULARXMICD-UHFFFAOYSA-N 321.376 4.658 30 20 DJED O=C(/C=C\c1cc2ccccc2o1)c1ccccc1OC(F)F 728694764 IRJXYSXDTSPYIF-KTKRTIGZSA-N 314.287 4.930 30 20 DJED Cc1ccc2nc(/C=C\c3cccc(OCC#N)c3)ccc2c1 730150676 DPHHULDZFLUSTB-VURMDHGXSA-N 300.361 4.616 30 20 DJED CCc1c(C)sc(NC(=O)C=C2CCC(C)CC2)c1C#N 734102161 LWBVYDFFUYDLNL-UHFFFAOYSA-N 302.443 4.566 30 20 DJED CC(=NNc1c(F)cccc1F)c1ccc2ccccc2c1O 735615998 URHLVKFOOWQCCG-UHFFFAOYSA-N 312.319 4.660 30 20 DJED C=CC[C@@H](NC(=O)/C=C(/CC)c1ccc(C)cc1)c1ccncc1 741693029 JCBOJAHMYZUPQB-HQSFBDMMSA-N 320.436 4.617 30 20 DJED FC(F)(F)c1ccc(NN=C[C@H]2CCOc3ccccc32)cc1 746579046 SPDZRPGNAQONAG-GFCCVEGCSA-N 320.314 4.669 30 20 DJED C=CC[C@H](N[C@@H]1CCCc2c(C)ccc(C)c21)c1ccncc1 769970095 RQMNKIUWBIOMIY-VQTJNVASSA-N 306.453 4.983 30 20 DJED CC[C@@H](Nc1snc(Cl)c1C#N)c1ccc(Cl)s1 771239768 YNHFDJFBSWCDPI-SSDOTTSWSA-N 318.254 4.946 30 20 DJED Cc1cc2c(cc1C)C(=O)/C(=C\c1ccc(C#N)s1)CS2 777469627 HPXWVYYDASWCGD-GHXNOFRVSA-N 311.431 4.609 30 20 DJED CCCCCCCCNc1cccc(NC(=O)N(C)C)c1C 795046967 RZLFCCJPIXZFAF-UHFFFAOYSA-N 305.466 4.861 30 20 DJED Cc1csc([C@H](C#N)C(=O)CC(C)(C)C2CCCCC2)n1 796617279 AWPVGHRENQODAE-CQSZACIVSA-N 304.459 4.624 30 20 DJED CC(C)c1ccc(C2(O)CCC(=NOC/C=C/Cl)CC2)cc1 811672164 RXEHNBVJQNMOOX-BUQNHCSUSA-N 321.848 4.697 30 20 DJED CCCCS[C@@H](C)C(=O)Nc1cc2ccccc2cc1C#N 839434700 FOBSEQGBADUTPC-ZDUSSCGKSA-N 312.438 4.572 30 20 DJED FC(F)(F)[C@H]1CCC[C@@H](C=NNc2ncccc2Cl)C1 853294542 UVLJXOHUKNTVRH-ZJUUUORDSA-N 305.731 4.501 30 20 DJED N#CC1(CCSCCC2SCCS2)CCCCC1 853800854 YNMOISWOFGDKEP-UHFFFAOYSA-N 301.546 4.780 30 20 DJED C=C(C)COc1cc(CNc2ccc(C)cc2C)ccc1OC 864018472 WNFXOKLEWULYNG-UHFFFAOYSA-N 311.425 4.879 30 20 DJED CC[C@@H](NCc1nc(C(C)(C)C)cs1)c1cccc(C#N)c1 902792473 AHRGZQIHFSILJK-OAHLLOKOSA-N 313.470 4.553 30 20 DJED C[C@H](CC1CCCCC1)C(=O)Nc1ccc(C#N)cc1Cl 1127111441 YSROVGPKMJLRJB-GFCCVEGCSA-N 304.821 4.757 30 20 DJED C[C@H](OC(=O)[C@@H](CC#N)c1ccccc1)c1ccc(Cl)cc1 1129680179 UIQQDUUMRFKVRY-GUYCJALGSA-N 313.784 4.642 30 20 DJED CC(C)[C@@H](c1ccccc1)N(C(=O)c1cccc(C#N)c1)C(C)C 1131097887 BJCUZAPSZZSXHN-FQEVSTJZSA-N 320.436 4.806 30 20 DJED CC1(C#N)CCC(Nc2ccc(CN3CCCCC3)cc2)CC1 1183491114 OJEMPCXQHAHMBR-UHFFFAOYSA-N 311.473 4.557 30 20 DJED Cc1cccnc1[C@H](C)Nc1c(C#N)cnc2c(Cl)cccc12 1187881175 WUQUNIBNJYHXHP-LBPRGKRZSA-N 322.799 4.636 30 20 DJED Cc1cc(C)c(/C=C/CN[C@@H](C)c2ccc(C#N)cc2)c(C)c1 1199821945 CPEWQIRHMSNOHY-QWNKOJSDSA-N 304.437 4.848 30 20 DJED N#Cc1cccc(C#N)c1N[C@@H]1CCC[C@@H](c2ccccc2)C1 1307113402 ZFPHGRXNLFGDJP-VQIMIIECSA-N 301.393 4.568 30 20 DJED CCOc1cc(C#N)ccc1OCCc1ccc2ccccc2c1 1307249493 FAESRKRXIVFNJN-UHFFFAOYSA-N 317.388 4.732 30 20 DJED CC(C)CCN(CCC#N)C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 1443570226 DFTFGRCILMLDJU-SJORKVTESA-N 306.494 4.627 30 20 DJED CC[C@H](C)[C@H](C)NCCC(C#N)(c1ccccc1)c1ccccc1 1473323816 UPCGLWHTFHBEHV-OALUTQOASA-N 320.480 4.911 30 20 DJED N#Cc1ccnc(CN[C@@H](CC2CCCCC2)c2ccccc2)c1 1473342063 IJGPBXHTOGWERP-NRFANRHFSA-N 319.452 4.755 30 20 DJED Cc1c(C)c(C)c(CN2CCc3ccc(C#N)cc32)c(C)c1C 1473350218 YSTJICVLKCBVOH-UHFFFAOYSA-N 304.437 4.663 30 20 DJED CC(C)N(CC1CC1)C(=O)Nc1scc(C(C)(C)C)c1C#N 1476646791 GAFWFGIIFKYZHJ-UHFFFAOYSA-N 319.474 4.570 30 20 DJED C[C@@H](OC(=O)Cc1ccc2ccccc2c1)c1ccc(C#N)cc1 1531747715 OVGRAJRODOCWBL-OAHLLOKOSA-N 315.372 4.558 30 20 DJED CCC[C@@H]1CCCC[C@H]1NCc1cc(Cl)ccc1OCC#N 1559774106 YZYRHCDZWGNLHZ-RHSMWYFYSA-N 320.864 4.691 30 20 DJED CC1=C(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)CCC1 1583690463 PRFPADDCBUSSGU-CMPLNLGQSA-N 314.454 4.744 30 20 DJED N#Cc1nc(S[C@@H]2CCCc3ccccc32)sc1Cl 1612093212 GBHDMZMNVPZBFL-GFCCVEGCSA-N 306.843 4.838 30 20 DJED Cc1nc(N[C@H](C)c2cccc(Cl)c2Cl)ccc1C#N 1639513511 UFYBDBXAIDUBMC-SNVBAGLBSA-N 306.196 4.742 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2Nc1nc(C2CCCCC2)ns1 1639868547 XGQBBGKVIMNGLR-MRXNPFEDSA-N 324.453 4.557 30 20 DJED Cc1ccc2ncc(C#N)c(OCc3cc(C)sc3C)c2c1 1643956149 AMSYSMWJWBZJRG-UHFFFAOYSA-N 308.406 4.672 30 20 DJED C[C@H]1[C@H](c2ccccc2)CCN1c1nc(C(C)(C)C)ccc1C#N 1651595891 PPUADWNXGWUYCO-MAUKXSAKSA-N 319.452 4.633 30 20 DJED CC1(C)C[C@H](Nc2cccc(F)c2C#N)c2ccc(F)cc2O1 1651669888 CUHGKBRLAVFDKD-INIZCTEOSA-N 314.335 4.551 30 20 DJED Cc1cnccc1CSc1nc(-c2ccccc2)ccc1C#N 1652658305 PQCMPRXORLMXLZ-UHFFFAOYSA-N 317.417 4.616 30 20 DJED CCc1ccc(CN(CC(C)C)c2cccc(F)c2C#N)cc1 1655598478 PDMAFQPAHXCAND-UHFFFAOYSA-N 310.416 4.922 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1ccccc1C1CC1 1656391136 SBYPFTFVQDFFJA-UHFFFAOYSA-N 306.409 4.835 30 20 DJED C=CCC[C@@H]1CCCN1Cc1cc2sc(C(=O)O)cc2s1 1776170772 QRXXFQDVMOCEST-LLVKDONJSA-N 321.467 4.592 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1ccc(CC)cc1 1776783994 CDVAOFSZJGDIRR-GOSISDBHSA-N 305.462 4.542 30 20 DJED CC[C@H](NCc1ccc(C#N)cc1F)c1ccc(Cl)cc1 120270023 PYAWKZVPHIJJCQ-KRWDZBQOSA-N 302.780 4.592 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H](C)CC2CCCC2)n1 177761267 QEAXOVULMUUJFK-JSGCOSHPSA-N 304.459 4.659 30 20 DJED CCOc1ccccc1[C@H](CC)N[C@@H](C)c1ccc(C#N)cc1 179754404 DYWFQXWLYOBARD-KXBFYZLASA-N 308.425 4.759 30 20 DJED C=C[C@@H](CC(=O)Nc1ccccc1CSC)c1ccccc1 186125653 XYBKBXKDQGFMID-HNNXBMFYSA-N 311.450 4.848 30 20 DJED COc1cccc2cc(C(=O)/C=C\c3c(F)cccc3F)oc12 209309879 YIEAZELRVHMARD-HJWRWDBZSA-N 314.287 4.616 30 20 DJED CC1(C)CCC[C@H](/N=C(/O)c2ccc3c(c2)N=C(O)C3(C)C)C1 328997727 KENHOWGMAFCYAG-ZDUSSCGKSA-N 314.429 4.839 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCCc2occc21 360836080 MFRUBVFRQFEIAA-MOPGFXCFSA-N 306.409 4.586 30 20 DJED N#CCc1ccc(NC(=O)c2sccc2C2CC2)c(Cl)c1 411015771 NHCLGAVONFUFSA-UHFFFAOYSA-N 316.813 4.597 30 20 DJED N#Cc1ccc(CN2CCC[C@@H]2c2ccsc2)c(Cl)c1 439442928 SMWLNZRHISFLGV-MRXNPFEDSA-N 302.830 4.610 30 20 DJED C=CCN(Cc1ncc(-c2ccc(C)cc2)o1)Cc1cccs1 441249745 ZHHBTSKVXGIAKI-UHFFFAOYSA-N 324.449 4.900 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(F)cc1Cl 442685863 GLPHSFNCDAQVOM-LBPRGKRZSA-N 302.780 4.544 30 20 DJED N#C[C@@H]1CC[C@H](N[C@@H](c2cccc(Cl)c2)C2CCCC2)C1 442836298 ZRFRRKGXLGFFME-JEBQAFNWSA-N 302.849 4.853 30 20 DJED C=CCN(C(=O)[C@@H](C)CCc1ccccc1F)c1ccccc1 443810337 MKPICSALZLJFOD-INIZCTEOSA-N 311.400 4.614 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1ccc(CSCC)cc1 455875109 ALSOQMTUBKPWER-INIZCTEOSA-N 304.459 4.512 30 20 DJED C=CCCC(=O)N1CCC[C@H](Cc2csc3ccccc23)C1 466398439 YWYPNVSWCNVBLE-OAHLLOKOSA-N 313.466 4.649 30 20 DJED N#CCSCCCSCc1c(Cl)cccc1Cl 466657228 LUGOJEQWYDFBTQ-UHFFFAOYSA-N 306.283 4.873 30 20 DJED Cc1cccc(C)c1[C@@H](C)NC(=O)c1ccc(C(C)(C)C#N)cc1 476683084 CJBBLJJSDXAFFG-MRXNPFEDSA-N 320.436 4.596 30 20 DJED C=CC[C@H](C(=O)N1CC[C@H](c2ccc(F)cc2)C1)c1ccccc1 478215570 XJRAZZXZEHLGNQ-ICSRJNTNSA-N 323.411 4.502 30 20 DJED C=CCCC1(C(=O)N(CC=C)Cc2ccc(Cl)s2)CC1 483103547 STWBUFANBMIPAQ-UHFFFAOYSA-N 309.862 4.663 30 20 DJED CC(C)c1ccc(C(=O)[C@@H](C#N)c2nccc3ccccc23)s1 483244781 OPUDNMMCIIQMRB-HNNXBMFYSA-N 320.417 4.910 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCC(C)(C)C1 514221479 DQVLMQJTSXJPOD-ZIAGYGMSSA-N 316.470 4.703 30 20 DJED C=CCC[C@@H](NCCc1csc(-c2ccccc2)n1)C1CC1 533362231 ZZHQWZSSKIVNNU-GOSISDBHSA-N 312.482 4.687 30 20 DJED C[C@@H](NCC1(C#N)CC1)c1ccc(Oc2ccccc2)c(F)c1 539493279 QWTFYJRKUQBVBI-CQSZACIVSA-N 310.372 4.572 30 20 DJED CCc1ccc(-c2ccc(CN3CCC(CC#N)CC3)o2)cc1 542854963 XMWJHLYQZUIOOX-UHFFFAOYSA-N 308.425 4.635 30 20 DJED C=CCC[C@H](CCC)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 543594776 JJHAPJPYWYJQRE-FHWLQOOXSA-N 305.437 4.770 30 20 DJED CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccccc2CC#N)cc1 549716671 OEHBACITRQZPOA-OALUTQOASA-N 318.420 4.618 30 20 DJED CCCCOc1ccc([C@@H](C)NCC(C)(C)CCC#N)cc1 567224689 RDJGAWYKQBEWQH-MRXNPFEDSA-N 302.462 4.846 30 20 DJED Cc1ccc(C)c(Sc2ccc(NC(=O)C(C)(C)C#N)cc2)c1 603947515 POFPUWPVRGRCQS-UHFFFAOYSA-N 324.449 4.943 30 20 DJED Cc1ccccc1C1CC(=NNc2nccc3sccc23)C1 743438949 QEUZFTSLIXYOGN-UHFFFAOYSA-N 307.422 4.950 30 20 DJED Cc1ccc(-c2ccc(/C=C/C(=O)c3cnn(C(C)C)c3)o2)cc1 746687259 UZJPRDUXKSFBMU-CSKARUKUSA-N 320.392 4.929 30 20 DJED COc1ccc(/C=C2/CCCC(C)(C)C2=O)c(Cl)c1OC 757534620 NRWJPMZWWDHYFH-BENRWUELSA-N 308.805 4.520 30 20 DJED Cc1ncsc1/C=C1\Cc2cc(Cl)cc(Cl)c2C1=O 764433390 PPWLPCSFVRBAEQ-RUDMXATFSA-N 310.205 4.581 30 20 DJED C/C=C(/C=C/C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)CC 765474699 GBYDLWWOQSKEDW-FPNBRQJJSA-N 323.223 4.587 30 20 DJED C=CC[C@H](N[C@H]1CCSc2c(F)cccc21)c1ccncc1 766019175 KMQYHHXBKIKVSB-IRXDYDNUSA-N 314.429 4.665 30 20 DJED C#CCOc1ccccc1NCc1cc(Cl)cc2cccnc12 775363361 ZJNMBNMPCJQBIP-UHFFFAOYSA-N 322.795 4.512 30 20 DJED C=CC[C@@H](C(=O)OCc1cccc2cccnc12)c1ccccc1 778419102 VZNSZQVUOJNCBY-LJQANCHMSA-N 317.388 4.638 30 20 DJED Cc1cc(/C=C\C(=O)c2ccc(N(C)C)cc2)cc2cccnc12 783698912 BJTATUNRHZBCTG-WDZFZDKYSA-N 316.404 4.505 30 20 DJED Cc1cc(F)ccc1-c1ccc(/C=C/C(=O)c2cncs2)o1 787171941 RCHARFFYEWEXNT-ZZXKWVIFSA-N 313.353 4.747 30 20 DJED CC[C@@H](C#N)Oc1cccc(CN[C@@H](CC)c2cccc(C)c2)c1 796816042 IOFPCMWADXXUNG-FPOVZHCZSA-N 322.452 4.917 30 20 DJED C=CC[C@H](N[C@H](CC)c1cccc(Cl)c1O)c1ccncc1 806139973 TUKGXRLNSIOAST-SJORKVTESA-N 316.832 4.799 30 20 DJED C#CCC1(c2nc([C@H](C)c3cccs3)no2)CCCCC1 809415850 AJEUTSCGABNPAW-CYBMUJFWSA-N 300.427 4.508 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc(Cl)s2)cc1[N+](=O)[O-] 834697657 OPPHCQAJWJSOEF-XQRVVYSFSA-N 307.758 4.514 30 20 DJED CC(C)=CCC[C@@H](C)CC(=O)[C@H](C#N)c1nc2ccccc2n1C 842678005 QRBKBUHHNVLGKM-CVEARBPZSA-N 323.440 4.522 30 20 DJED CC(=O)Nc1cccc(CSCCCCC2(C#N)CCC2)c1 901766146 CJVIXEQCMYOZAY-UHFFFAOYSA-N 316.470 4.742 30 20 DJED C=C[C@@H](Cc1nc(-c2ccc(F)cc2F)no1)c1ccccc1 904803778 YJPNZBKUCCASDN-LBPRGKRZSA-N 312.319 4.527 30 20 DJED CCCOc1cc(/C=C2\Cc3cc(C)ccc3C2=O)ccc1OC 921263579 HCASOPDWFHCDQF-GZTJUZNOSA-N 322.404 4.615 30 20 DJED CC(C)[C@@H](C(=O)Nc1ccc(C#N)cc1)c1cccc(Cl)c1 1124406813 ZLEAVUZZUFWPMW-QGZVFWFLSA-N 312.800 4.590 30 20 DJED CC[C@@H](C)[C@H](C)C(=O)Nc1sc(-c2ccccc2)cc1C#N 1125171947 DWLHSAAOABIBLA-OLZOCXBDSA-N 312.438 4.907 30 20 DJED C[C@@H]1CC(C)(C)c2cccc(NC(=O)[C@@]3(C#N)CC34CCCC4)c21 1133932123 ZTPQKFJRYHKDSU-SZNDQCEHSA-N 322.452 4.884 30 20 DJED Cc1cc(C)cc(C2CCN(Cc3ccc(C#N)s3)CC2)c1 1198477400 CKGRQHSFMYZGEF-UHFFFAOYSA-N 310.466 4.616 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)N1CCCc2cc(C#N)ccc21 1273621105 SSGQMPGCAMQUEE-SFHVURJKSA-N 324.468 4.834 30 20 DJED N#Cc1cccc(Br)c1Nc1ccc(C2CC2)cc1 1307083570 KSPPZGWFXYWVGD-UHFFFAOYSA-N 313.198 4.942 30 20 DJED Cc1ccc([C@@H]2[C@@H](C)CCCN2Cc2ccc(C#N)cc2F)cc1 1308588457 OPRULEALTGSCKW-KKSFZXQISA-N 322.427 4.979 30 20 DJED N#Cc1cc(C(=O)N(c2ccsc2)C2CCCCC2)cs1 1328465747 YNKFVUYQRKGQSQ-UHFFFAOYSA-N 316.451 4.661 30 20 DJED N#Cc1cccc(-c2nnc([C@@H]3CC[C@@H]4CCCC[C@@H]4C3)o2)c1 1348898643 DCHUBTVDPSRTNO-ZMSDIMECSA-N 307.397 4.682 30 20 DJED CC[C@@H](C)c1ccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 1353272577 VOKWYWQPFGKREE-HUUCEWRRSA-N 306.409 4.563 30 20 DJED C[C@@H](CC1CCCCC1)C(=O)Nc1cc(C#N)cn1C(C)(C)C 1358205649 OQUWEDHLHGJVBA-AWEZNQCLSA-N 315.461 4.660 30 20 DJED N#Cc1nc(N2CCC[C@@H]2CCC2CCCC2)ccc1Cl 1458257495 XMRIZYPOJLZSNM-CQSZACIVSA-N 303.837 4.546 30 20 DJED N#Cc1c(F)cccc1N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 1458338958 ZDIWZZSLHYXSCR-BJWYYQGGSA-N 306.384 4.612 30 20 DJED Cc1ccnc(N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)c1C#N 1458383877 NQCSKKZMSXJZKL-MRXNPFEDSA-N 315.779 4.617 30 20 DJED CC[C@H](Sc1ccc(C#N)cc1)C(=O)c1ccc(Cl)cc1 1458909450 FVVKKGJAPIFNMD-INIZCTEOSA-N 315.825 4.965 30 20 DJED N#Cc1ccnc(CSC(c2ccccc2)c2ccccc2)c1 1472910359 KRUIWDPPZSZSID-UHFFFAOYSA-N 316.429 4.976 30 20 DJED N#CC1(CC(=O)N2CCC[C@@H]2CC2CCCCC2)CCCCC1 1598165675 GWESJESEZBWNAU-GOSISDBHSA-N 316.489 4.812 30 20 DJED C[C@H]1CCC[C@H](CSc2nc(C(F)(F)F)ccc2C#N)C1 1613723178 BDAHDBQBZABQSP-QWRGUYRKSA-N 314.376 4.890 30 20 DJED CCCC[C@H](CC)CCCN(C)C(=O)c1ccc(C)c(C#N)c1 1618242894 BODYWCJJURAGHG-KRWDZBQOSA-N 314.473 4.935 30 20 DJED N#CC1(CCN2CC[C@@H](c3c(F)cccc3F)C2)CCCCC1 1620567177 QUBNBUYGQHDWEJ-OAHLLOKOSA-N 318.411 4.618 30 20 DJED Cc1cc(C#N)cc(NC(=O)N(C)c2ccc(C(C)(C)C)cc2)c1 1625601647 HVCWSKRHVCOAIK-UHFFFAOYSA-N 321.424 4.833 30 20 DJED Cc1nc(N[C@@H](c2ccccc2F)C2CCCC2)ccc1C#N 1642400769 KHVYUOPMIQSOOK-LJQANCHMSA-N 309.388 4.744 30 20 DJED C[C@H](C1CC1)N(Cc1ccc(-c2ccccc2C#N)cc1)C1CC1 1644469284 VNSGJIVPLMETFH-MRXNPFEDSA-N 316.448 4.988 30 20 DJED CC[C@@H]1C[C@H](C)CN1Cc1ccc(-c2ccccc2C#N)cc1 1644702022 SGMAQTGKRGWAAE-OXJNMPFZSA-N 304.437 4.846 30 20 DJED Cc1nc(C#N)cc(N[C@H](C)c2ccc(Cl)c3ccccc23)n1 1655402513 VOBVTFHUEZTFQN-LLVKDONJSA-N 322.799 4.636 30 20 DJED CCCN(CCC1(C#N)CCCCC1)Cc1ccc(F)cc1 1657104413 YSYWHVNPUDFWJG-UHFFFAOYSA-N 302.437 4.902 30 20 DJED Cc1cc(C)c(C(=O)O)cc1/C=C\C(=O)c1ccc(Cl)cc1 1776115018 JLTHUMHSBALTIX-YVMONPNESA-N 314.768 4.551 30 20 DJED CC(C)c1ccc(C(=O)/C=C\c2cccc(C(=O)O)c2F)cc1 1776370211 GDOHKQFCBUMNPO-KHPPLWFESA-N 312.340 4.543 30 20 DJED Cc1ccc(N[C@@H](C)c2ccc(OCC#N)cc2)cc1Cl 37188441 IYSLHTJXSOIGAK-ZDUSSCGKSA-N 300.789 4.724 30 20 DJED Cc1csc([C@@H](C#N)C(=O)c2oc3c(C)ccc(C)c3c2C)n1 66504254 CJOBGULZHXFLGP-ZDUSSCGKSA-N 324.405 4.613 30 20 DJED CCOc1ccc(C(=O)/C=C/c2ccc3ncccc3c2)cc1 69262999 LVSJQVSZXPSLAO-WUXMJOGZSA-N 303.361 4.530 30 20 DJED N#Cc1ccc(OCc2cccc(Br)c2)cc1Cl 125112881 PSNNWSRKXJSUHB-UHFFFAOYSA-N 322.589 4.553 30 20 DJED CN(Cc1ccc(Cl)s1)Cc1ccc(C#N)cc1Cl 162879734 KPHIGTADJULTSN-UHFFFAOYSA-N 311.237 4.559 30 20 DJED CC[C@H](C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1)c1ccccc1 193335982 BFWQLKMPLPGLNJ-UZLBHIALSA-N 320.436 4.662 30 20 DJED CCOc1cc(/C=C\C(=O)c2cccs2)ccc1OC(F)F 210105976 FLSFLHWMFSPOKV-ALCCZGGFSA-N 324.348 4.644 30 20 DJED O=C(/C=C/C=C/c1ccccc1)c1sccc1Br 220323603 VSHUUHIJXCGWFW-KBXRYBNXSA-N 319.223 4.963 30 20 DJED N#Cc1ccccc1/C=C\C(=O)Nc1ccccc1-c1ccccc1 255113291 WKMDGZNOXQZQAV-PFONDFGASA-N 324.383 4.877 30 20 DJED CC(C)(C)c1cnc(SC/C(O)=N/C2CCCCCC2)o1 329997306 QIAUYCKWBCMKON-UHFFFAOYSA-N 310.463 4.744 30 20 DJED CCC(CC)CN(CCC#N)C(=O)Nc1cc(Cl)ccc1C 426005651 CLYLOLXGFYXJJB-UHFFFAOYSA-N 321.852 4.832 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2ccc(F)cc2F)CCCC1(C)C 436110544 SOSSRRUMSKSVMI-HNNXBMFYSA-N 308.372 4.563 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@H](c2ccc(Cl)cc2)C2CCC2)C1 447560038 BZXHWBCKHQAIRQ-BVGQSLNGSA-N 302.849 4.853 30 20 DJED C=CC[C@H](C(=O)Nc1scnc1C(C)C)c1ccccc1 456445943 ZQEXZIMUIXLRRB-AWEZNQCLSA-N 300.427 4.565 30 20 DJED C[C@H](NC(=O)Nc1cccc(C2CCC2)c1)c1ccc(C#N)cc1 463821168 GZBLWJDBDRSZAV-AWEZNQCLSA-N 319.408 4.708 30 20 DJED C=CC[C@H](C(=O)N[C@H](C)c1cc2ccccc2o1)c1ccccc1 468300206 JRBJNBNFNDTYHN-QAPCUYQASA-N 319.404 4.970 30 20 DJED CC(C)(C#N)c1ccccc1CN1CC[C@@H](C(F)(F)F)C1(C)C 469995952 HHKLPUXDNSHIJF-OAHLLOKOSA-N 324.390 4.651 30 20 DJED N#CCC(=O)Nc1ccc(Cl)cc1-c1ccc(Cl)cc1 473568680 LTMPZWXSXWCAJE-UHFFFAOYSA-N 305.164 4.513 30 20 DJED C=CCC(C)(C)C(=O)N(C)Cc1cccc(Cl)c1Cl 482464181 MVZYEDNHEIZNLD-UHFFFAOYSA-N 300.229 4.554 30 20 DJED C=CCC[C@H](CC)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 483637531 HTDYIPJHXBXUCZ-ZFWWWQNUSA-N 317.408 4.580 30 20 DJED Cc1c([C@H](C)NCc2ccc(CC#N)cc2)oc2ccccc12 485010305 VDJJEPRCMOGOLK-HNNXBMFYSA-N 304.393 4.658 30 20 DJED Cc1cccc([C@@H](NC(=O)c2cccc(CC#N)c2)C(C)(C)C)c1 488854372 NGFGWHGKNOWJRC-LJQANCHMSA-N 320.436 4.578 30 20 DJED C[C@H](CN(CC#N)C1CCCC1)c1ccc(C(F)(F)F)cc1 500105508 VSTUANDQRVTSBL-CYBMUJFWSA-N 310.363 4.577 30 20 DJED C=C(C)CCc1noc(-c2ccc(-c3ccsc3)nc2C)n1 508608755 LXOQYISYHSMVLM-UHFFFAOYSA-N 311.410 4.677 30 20 DJED C=C[C@H](CC(=O)N(Cc1cccc(F)c1)C1CC1)c1ccccc1 534606282 MPRQDUGGMMMEEY-QGZVFWFLSA-N 323.411 4.677 30 20 DJED N#Cc1ccc(N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)nc1 543074069 KBUNOZQTGYCPGV-BETUJISGSA-N 318.207 4.618 30 20 DJED N#CCc1ccc(N[C@@H]2CC=C(c3ccc(F)cc3)CC2)cc1 545549018 BOMXWTHEXMWQAF-HXUWFJFHSA-N 306.384 4.940 30 20 DJED Cc1ccccc1[C@H](C)c1noc(/C=C/c2ccc(C#N)cc2)n1 546543717 KGZNMLVUJALFHK-RUMSDORHSA-N 315.376 4.572 30 20 DJED CC1(C#N)CCC(Nc2ccc(Oc3cccnc3)cc2)CC1 568592824 DPAVHOOCPBJGET-UHFFFAOYSA-N 307.397 4.758 30 20 DJED Cc1ccccc1[C@@H](C)CC(=O)N(CCC#N)c1ccc(F)cc1 578258776 DTOVPFOYRVOQSV-INIZCTEOSA-N 324.399 4.575 30 20 DJED C=C(C)COc1cccc(NC(=O)[C@@H](C)c2ccccc2F)c1 595953933 PECVJMPFEDLLJM-AWEZNQCLSA-N 313.372 4.523 30 20 DJED CC(C)c1cccc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c1 597797281 WOBCXCONARRJMY-HNNXBMFYSA-N 306.409 4.515 30 20 DJED C[C@H](Nc1ccn([C@@H](C)c2ccccc2)n1)c1ccc(C#N)cc1 610733517 CKBHERIVZDDRBO-HOTGVXAUSA-N 316.408 4.537 30 20 DJED CC(C)(CC(F)(F)F)NCc1cc(C(F)(F)F)ccc1F 681989825 UVDKRFNOGRKFDS-UHFFFAOYSA-N 317.248 4.665 30 20 DJED CC(=NNc1ncnc2sccc12)c1ccc2ccccc2c1 725818234 GWBLXNSULAJUJU-UHFFFAOYSA-N 318.405 4.681 30 20 DJED C#Cc1cccc(N(C(=O)c2cc3cccc(C)c3o2)C(C)C)c1 728247228 VMUXPKOSMUFDKZ-UHFFFAOYSA-N 317.388 4.778 30 20 DJED CC(=NNc1cc(F)c(F)cc1F)c1cc2ccccc2o1 734302730 MCZVTPRMRITNOW-UHFFFAOYSA-N 304.271 4.686 30 20 DJED C[C@@H](C#N)Oc1ccc(CNCc2ccc(C3CCC3)cc2)cc1 755222406 GBWXZMOUDOUERY-INIZCTEOSA-N 320.436 4.535 30 20 DJED Cc1nn(C(C)(C)C)c(C)c1C=NNc1cccc2ccccc12 755681204 VYXCWCZUCGGBBE-UHFFFAOYSA-N 320.440 4.854 30 20 DJED O=C(/C=C/c1nc2ccc(F)cc2s1)c1c[nH]c2ccccc12 761475861 GOUSUQYWJPURFG-BQYQJAHWSA-N 322.364 4.813 30 20 DJED O=C(/C=C\c1nc2ccc(F)cc2s1)c1ccccc1Cl 761476582 SSZMULYHNLAPND-FPLPWBNLSA-N 317.772 4.985 30 20 DJED O=C(/C=C\c1nc2ccc(F)cc2s1)c1ccc(F)c(F)c1 761477350 LFZRQRUDLWYFOT-WAYWQWQTSA-N 319.307 4.610 30 20 DJED C#CCCCCC(=O)N(c1ccccc1)[C@@H](C)c1ccccc1 776310748 HZMCUGFMOLAQJP-SFHVURJKSA-N 305.421 4.974 30 20 DJED O=C(/C=C\c1ccc(-c2c(F)cccc2F)o1)c1cncs1 787173158 XPKNFOUQBOTYSD-XQRVVYSFSA-N 317.316 4.577 30 20 DJED CCC(C)(C)c1ccc(NC(=O)Cc2ccccc2CC#N)cc1 790628511 ALBQWEQPSXSRSJ-UHFFFAOYSA-N 320.436 4.621 30 20 DJED C=CCCCCC[C@@H](C)Nc1ccc(NC(C)=O)c(OC)c1 793541252 DBXYVTIXLDAMFD-CQSZACIVSA-N 304.434 4.591 30 20 DJED CC(C)Sc1ccc(C(=O)/C=C\c2ccnn2C(C)C)cc1 794943516 YWROTIJCIRAHED-YFHOEESVSA-N 314.454 4.861 30 20 DJED CC(C)n1nccc1/C=C\C(=O)c1ccc(OC(C)(C)C)cc1 794944379 GDTMVROYRRSOQN-FLIBITNWSA-N 312.413 4.537 30 20 DJED COc1ccccc1CON=C(C)c1sc(C(C)C)nc1C 799118446 GTYBIXQYLBAXCV-UHFFFAOYSA-N 318.442 4.524 30 20 DJED C=C(C)CCNc1ccc(Cl)cc1[C@H](O)c1ccccc1 809188695 OAVBKSWCPMGSKL-GOSISDBHSA-N 301.817 4.800 30 20 DJED CCC(=NNc1cccc2cnccc12)c1ccc(Cl)c(N)c1 814836611 VJOXEMXYKULLIN-UHFFFAOYSA-N 324.815 4.697 30 20 DJED Clc1ccc(-c2ccc(NN=C3CCC34CCC4)nn2)s1 848414854 PFEPSVFJYOYMTC-UHFFFAOYSA-N 318.833 4.591 30 20 DJED O=C(c1ccc(Cl)cc1)N(O)Cc1cccc2ccccc12 901368132 UWFOTWYZZABEMC-UHFFFAOYSA-N 311.768 4.525 30 20 DJED N#Cc1ccc(CNc2cccc(COc3ccccc3)c2)cc1 917520796 SFVHHDXDKNDPNS-UHFFFAOYSA-N 314.388 4.749 30 20 DJED C=CCN(CC1CCCCC1)C(=O)[C@H](C)c1ccc(F)cc1F 1116135018 QPHDJMSCVRFGCO-CQSZACIVSA-N 321.411 4.663 30 20 DJED Cc1c(C#N)cccc1C(=O)N[C@H](C)c1csc2ccccc12 1119925031 CIKCZPGKPLRBCF-CYBMUJFWSA-N 320.417 4.572 30 20 DJED CCCc1sc(C(=O)Nc2cc(F)cc(C#N)c2)cc1CC 1132446088 SGTKREZNTZSEBA-UHFFFAOYSA-N 316.401 4.526 30 20 DJED C[C@H](Nc1cccc(C#N)n1)[C@@H](C)c1ccccc1C(F)(F)F 1185828204 STRZIPYZQVWMET-NEPJUHHUSA-N 319.330 4.576 30 20 DJED Cc1ccc(SCCN(C)[C@H](C)c2cccc(C#N)c2)cc1C 1195368503 UWDGGEYJSBKGFK-QGZVFWFLSA-N 324.493 4.960 30 20 DJED CCN(Cc1ccc(Cl)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 1307425435 GHKKZOZPGDNXPP-ZDUSSCGKSA-N 316.807 4.934 30 20 DJED C[C@@H](C#N)Oc1ccccc1NC[C@@]1(C)C[C@@H]1c1ccccc1 1308635556 OHXPCLSWSREDPP-XAUMDUMWSA-N 306.409 4.583 30 20 DJED COc1ccc(C#N)cc1CSCc1ccc2ncccc2c1 1320453221 MPEVVEVFKHOKNN-UHFFFAOYSA-N 320.417 4.548 30 20 DJED CC1CC(C#N)(C(=O)Nc2ccc(SC(C)(C)C)c(F)c2)C1 1324623770 ILLSMCCCPIVKEG-UHFFFAOYSA-N 320.433 4.595 30 20 DJED C#CCCCCCc1nnc(Cc2cccc3ccccc23)o1 1333058377 AAWRMHNQLXCHRY-UHFFFAOYSA-N 304.393 4.550 30 20 DJED Cc1cccc([C@H]2CCCN2C(=O)CC2(C#N)CCCCC2)c1C 1444495293 AEAYOABZRZEFQK-LJQANCHMSA-N 324.468 4.831 30 20 DJED CC(C)c1ccc(-n2ccnc2SCC2(CC#N)CC2)cc1 1458837077 XZNUTTOTQPOUGR-UHFFFAOYSA-N 311.454 4.782 30 20 DJED CC[C@H](c1ccccc1)[C@H]1CCCN1CCc1ccc(C#N)cc1 1459653055 NQMUNUUPNVXNRL-FGZHOGPDSA-N 318.464 4.759 30 20 DJED C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(Cl)cc1C#N 1460821918 ZBOAPMDHXNTDEM-MGPUTAFESA-N 324.855 4.980 30 20 DJED N#Cc1cccc(N[C@H](c2ccc(Cl)cc2)C2CCCC2)n1 1472690553 ZTAUXZOWRKBIBT-SFHVURJKSA-N 311.816 4.950 30 20 DJED CC[C@@H](Sc1cccc(C#N)c1)C(=O)c1ccc(Cl)cc1 1472996495 CEIPRRLADGOURV-MRXNPFEDSA-N 315.825 4.965 30 20 DJED N#Cc1ccc(OCc2c(Cl)oc3ccccc23)c(F)c1 1473004069 ULQJHBVAALSWMH-UHFFFAOYSA-N 301.704 4.676 30 20 DJED Cc1ccc(-c2ccccc2NC(=O)c2cc(C#N)oc2C)s1 1535315179 BMCYFFRBBRXOIL-UHFFFAOYSA-N 322.389 4.749 30 20 DJED CN(CCC1(C#N)CCCCC1)Cc1ccc(F)c(Cl)c1 1617199028 WNDYQMMVVNLFBA-UHFFFAOYSA-N 308.828 4.775 30 20 DJED C=C(CNC(=O)N[C@@H](CCC)c1ccccc1)c1ccccc1 1629671365 SQRPHSHJTTXSST-IBGZPJMESA-N 308.425 4.540 30 20 DJED C[C@@H](NCc1ccc(Cl)cc1C#N)c1cc(Cl)ccc1F 1653886715 PVPKUISYTDEBHO-SNVBAGLBSA-N 323.198 4.855 30 20 DJED Cc1nc(N2C[C@H](C(C)C)c3ccccc32)c(Cl)cc1C#N 1655440730 OLUGIFYYDLIPEU-OAHLLOKOSA-N 311.816 4.806 30 20 DJED Cc1cc(C#N)ccc1CN[C@H]1CCCC[C@H]1Cc1ccccc1 1658355266 MAYJWNMTTHEZGP-UNMCSNQZSA-N 318.464 4.758 30 20 DJED CCCN(Cc1ccc(C#N)c(C)c1)[C@@H]1CCc2ccccc21 1658510448 LZZQAMCIFMZNQK-OAQYLSRUSA-N 304.437 4.766 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1cccc2ccoc12 1663916374 XOSCQLGQPGJDOX-UHFFFAOYSA-N 304.393 4.717 30 20 DJED CCC[C@H]1CCCC[C@H]1CNC(=O)Nc1scc(C)c1C#N 1671133819 GNRIMQIIFUJBKR-KBPBESRZSA-N 319.474 4.656 30 20 DJED C=C(CNC(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C)c1ccccc1 1682940897 LXTMYRBRADEIRL-QZTJIDSGSA-N 314.473 4.604 30 20 DJED C=CCOc1ccccc1CN[C@H](C)c1ccc(Cl)s1 35253571 JAHQFFZPBQEDIU-GFCCVEGCSA-N 307.846 4.817 30 20 DJED Cc1ccc(N(C(=O)c2cccc(SCC#N)c2)C(C)C)cc1 79444511 UDCFRPGSZFIVKP-UHFFFAOYSA-N 324.449 4.666 30 20 DJED CCCCN(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 105039996 RMCSUUUOSGKUTB-UHFFFAOYSA-N 323.396 4.614 30 20 DJED CCCCCCCC(=O)N(CC(F)(F)F)c1nc(C)cs1 126303867 RHJQEXFUSMXKSL-UHFFFAOYSA-N 322.396 4.707 30 20 DJED CC(C)(C#N)CCCNc1ccc(OC(F)F)c(Cl)c1 176438719 XBDVCTODXZPRLB-UHFFFAOYSA-N 302.752 4.683 30 20 DJED O=C(/C=C\c1cccc(F)c1F)c1ccc(C(F)(F)F)cc1 209916188 GPMIMQFVIDXMRW-TWGQIWQCSA-N 312.237 4.880 30 20 DJED CCOc1cccc(/C=C\C(=O)c2ccc(OC(F)F)cc2)c1 213175576 BZXITJDXJKAMCR-WDZFZDKYSA-N 318.319 4.583 30 20 DJED CC[C@@H](NCC(C)(C)CCC#N)c1ccc(Br)cc1 229679295 GYQVDARWYGCOLO-OAHLLOKOSA-N 323.278 4.820 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCC[C@@H](C)C1 247088539 ULTVXHGZWQVYIV-RBSFLKMASA-N 316.470 4.703 30 20 DJED C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2ccc(Cl)cc2)cc1 255695074 GNTGSQXWKBKYNV-KPVYPLCOSA-N 311.768 4.527 30 20 DJED C=CCC[C@H](Nc1snc(Cl)c1C#N)c1ccccc1 301801853 WKUMEJPTKQPSEP-ZDUSSCGKSA-N 303.818 4.788 30 20 DJED Cc1ccc(C#N)cc1NCc1nc(-c2ccccc2)cs1 315987286 UAPYYHNMIKZPCK-UHFFFAOYSA-N 305.406 4.602 30 20 DJED CCO[C@H](C)c1ncc(/C(O)=N/[C@@H]2CCC[C@H](CC)C2)s1 330914818 JLAAUXSZOXBQMR-FRRDWIJNSA-N 310.463 4.514 30 20 DJED C[C@H](CC(F)F)C(=O)Nc1sc(-c2ccccc2)cc1C#N 414943785 MRCGIYHQSUZRQQ-SNVBAGLBSA-N 320.364 4.517 30 20 DJED C=CCN(CCC#N)C/C(C)=C\c1ccccc1C(F)(F)F 430091030 QFNCVIOOJUEOGB-OWBHPGMISA-N 308.347 4.510 30 20 DJED C=C(C)CN(C)C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 430175060 YHZWFNILQXCJCG-HXUWFJFHSA-N 320.436 4.558 30 20 DJED Cc1cccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c1C 430586652 WSOSHNZHYRTAEE-AWEZNQCLSA-N 312.438 4.548 30 20 DJED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(Cl)s2)s1 430631053 SXSNCMQAIQDNAE-MRVPVSSYSA-N 324.858 4.646 30 20 DJED Cc1nc(CSCc2ccc(C#N)cc2Cl)sc1C 438877046 SLYMCVLPUOILGD-UHFFFAOYSA-N 308.859 4.718 30 20 DJED C[C@H](SCc1cnn(-c2ccccc2)c1)c1cccc(C#N)c1 443145425 YCOHLYWYDAAHHT-HNNXBMFYSA-N 319.433 4.738 30 20 DJED Cc1ccc(Cl)cc1-c1noc([C@@H](C)c2cccc(C#N)c2)n1 463051942 GDXWQUSEKKXJPC-LBPRGKRZSA-N 323.783 4.722 30 20 DJED N#C[C@H]1CCC[C@H](Nc2cc(F)ccc2SCC(F)F)C1 463285760 HBEWZPGKDLHXFW-JQWIXIFHSA-N 314.376 4.677 30 20 DJED C=CCN(CC=C)C(=O)[C@H](C)S[C@@H](C)c1cccc(Cl)c1 498110093 NCEAHLFDMNTIGC-KBPBESRZSA-N 323.889 4.723 30 20 DJED CCN(Cc1ccc(C#N)s1)[C@@H](C)c1cc2ccccc2o1 511894096 QLQCMWHUOZSHHK-ZDUSSCGKSA-N 310.422 4.949 30 20 DJED C=CCC[C@@H](NCCc1cccc2cccnc12)c1ccco1 513673757 WTNWQRFWWLBWRO-GOSISDBHSA-N 306.409 4.667 30 20 DJED C=C1CCN(CCCCOc2ccccc2C(F)(F)F)CC1 520849299 MAECQMWQQPLALS-UHFFFAOYSA-N 313.363 4.516 30 20 DJED C[C@H]1CCC[C@](C#N)(NC(=O)C2CCC(c3ccccc3)CC2)C1 525710656 KCWKMBVHXLGRQH-IDVGRALLSA-N 324.468 4.549 30 20 DJED C=CCCOCCNC(=O)Nc1ccc(C(C)C)cc1C(C)C 533877060 YZQXLPKBSBQJRG-UHFFFAOYSA-N 318.461 4.648 30 20 DJED C=C(C)[C@@H](CC(=O)Nc1c(CC)ccc(Cl)c1CC)OCC 534463571 AUZGWXKTTPWZSM-MRXNPFEDSA-N 323.864 4.775 30 20 DJED Cc1ncc(-c2ccccc2)cc1NCc1ccc(C#N)s1 537319901 ZFLGDZAMOWOJPD-UHFFFAOYSA-N 305.406 4.602 30 20 DJED C=C[C@H](Cc1nc([C@@H]2CCCCS2)no1)c1ccccc1 545808989 VFJUTNJWKWBPGI-HIFRSBDPSA-N 300.427 4.540 30 20 DJED CCC(C)(C)OCc1cccc(NC[C@H](C#N)CCC#N)c1C 563004184 BVACJQLXIDELTJ-INIZCTEOSA-N 313.445 4.556 30 20 DJED CC(C)c1ccc2occ(C(=O)Nc3ccc(F)cc3C#N)c2c1 564135275 QDBOIKWSKQYOLP-UHFFFAOYSA-N 322.339 4.819 30 20 DJED C[C@@H](Sc1cccc(F)c1C#N)c1ncc(C(C)(C)C)o1 571008984 MLJQZAQWNNTKBF-SNVBAGLBSA-N 304.390 4.836 30 20 DJED C=CCC(C)(C)C(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 579819582 OFLKUYASDCEZSF-OAHLLOKOSA-N 324.424 4.653 30 20 DJED N#CC[C@@H]1CCCN(Cc2ccc(-c3cccc(F)c3)s2)C1 597173634 LLBZHTSYKWQIDM-AWEZNQCLSA-N 314.429 4.680 30 20 DJED N#Cc1cccc(Cl)c1NCc1ccc(C(F)(F)F)cc1 609495185 MICBFLUVFIZACF-UHFFFAOYSA-N 310.706 4.843 30 20 DJED Cc1coc(-c2ccc(C)c(N[C@H](C#N)Cc3ccccc3)c2)n1 610735510 PGTOOHVFLKOMPB-SFHVURJKSA-N 317.392 4.505 30 20 DJED C=CCOc1ccc(C(=O)N2CCC[C@H]2c2ccccc2C)cc1 614961851 QBYNPLSFQASGCU-FQEVSTJZSA-N 321.420 4.537 30 20 DJED C=CCOc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C)c2)cc1 615172980 MPTUOQYPEKBQHX-HXUWFJFHSA-N 321.420 4.537 30 20 DJED C=C[C@@H](CC(=O)N[C@H](C)c1ccc(F)cc1F)c1ccccc1 677504145 PMNVNOISBPAYJY-KGLIPLIRSA-N 315.363 4.502 30 20 DJED CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1cccc(C)c1 726425832 JPEPFFMQYJJUHQ-UHFFFAOYSA-N 317.314 4.722 30 20 DJED Cc1[nH]c2ccccc2c1C(=O)/C=C/C1=Cc2ccccc2OC1 726743315 CMYVRRHDCUBEEJ-ZHACJKMWSA-N 315.372 4.691 30 20 DJED N#Cc1ccc(OCCCSc2ccnc3ccccc23)cc1 727745460 XEOLELVSEYLSGG-UHFFFAOYSA-N 320.417 4.668 30 20 DJED O=C(/C=C/c1cnc2ccc(Cl)cn12)c1cccc(Cl)c1 737443752 LYYDZZPJFJPQGK-AATRIKPKSA-N 317.175 4.537 30 20 DJED Cc1ccc(C(=O)/C=C\c2cccc(OC(F)F)c2)cc1C 747061901 PMVNOKZVSNCZIN-CLFYSBASSA-N 302.320 4.801 30 20 DJED C#CCCCCNC(=O)Nc1ccc(S[C@H](C)CC)cc1C 758586476 KQUGFRSIRFXDLR-OAHLLOKOSA-N 318.486 4.811 30 20 DJED O=C1/C(=C/c2ccc3ncccc3c2)Cc2ccc(Cl)cc21 762446518 JESLHLSICYUFGP-OQLLNIDSSA-N 305.764 4.711 30 20 DJED C#CCCCCC(=O)N[C@H](C)c1ccc(Cl)c2ccccc12 765367635 LERNSVMENZCXIW-CQSZACIVSA-N 313.828 4.864 30 20 DJED C=CC[C@@H](N[C@@H](CC)c1ccc(F)cc1F)c1ccncc1 766018497 IAQOIEVFWZCJQD-ZWKOTPCHSA-N 302.368 4.718 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)C1(F)CCCC1 776310662 MOFJFOHIKKFHFS-UHFFFAOYSA-N 314.385 4.508 30 20 DJED C[C@H](C#N)Oc1ccccc1NCc1ccc(C2CCC2)cc1 783217887 SGIJEMXMTFJTTI-OAHLLOKOSA-N 306.409 4.857 30 20 DJED O=C(/C=C\c1cc(F)c(F)c(F)c1)c1nccc2ccccc12 811697720 FIMIFLUAOAEVHM-WAYWQWQTSA-N 313.278 4.548 30 20 DJED CCCCc1ccc(NC(=S)Nc2cccc(CC#N)c2)cc1 840823954 TUFFOPBGRDDUOP-UHFFFAOYSA-N 323.465 4.904 30 20 DJED CCCCCC[C@@](C)(CCC)C(=O)N1CCC[C@H](CC#N)C1 855254317 IMTMNAGGPOWWHN-IEBWSBKVSA-N 306.494 4.915 30 20 DJED CC(=NNc1ccccn1)C(c1ccccc1)c1ccccc1 916274137 ZJESVZWMUBLZCU-UHFFFAOYSA-N 301.393 4.702 30 20 DJED C=CCN(C(=O)Nc1ccc2nc(C(C)C)sc2c1)C(C)C 921237195 LSMHXWWHMBOTNB-UHFFFAOYSA-N 317.458 4.848 30 20 DJED Cc1csc(NC(=O)NCC2CCC(C(C)C)CC2)c1C#N 1310701507 XGWZUWUXVSAJRD-UHFFFAOYSA-N 319.474 4.512 30 20 DJED CC[C@H](C)[C@H](c1ccccc1)c1nnc(-c2ccc(C#N)cc2)o1 1322510484 RHWRNVVQBHOIIG-KBXCAEBGSA-N 317.392 4.786 30 20 DJED Cc1c(C(=O)NC2CCCCCC2)sc2ccc(C#N)cc12 1349495557 VLIPOGBFYCVGPC-UHFFFAOYSA-N 312.438 4.534 30 20 DJED CCC[C@H](CC)C(=O)Nc1sc2c(c1C#N)CCCCC2 1349781415 HJHVKEMCYXVOQU-LBPRGKRZSA-N 304.459 4.653 30 20 DJED CCc1cc(C#N)c(NC(=O)c2oc3ccccc3c2CC)s1 1355621774 PSOFZWBZGAVLEF-UHFFFAOYSA-N 324.405 4.743 30 20 DJED Cc1ccc(C#N)cc1C(=O)N1c2ccccc2[C@@H](C)CC1(C)C 1357970498 WXAQKGJLOFBICR-HNNXBMFYSA-N 318.420 4.799 30 20 DJED C[C@H](OC(=O)Cc1ccc2ccccc2c1)c1cccc(C#N)c1 1457754711 KIRJPBZYLRXLQN-HNNXBMFYSA-N 315.372 4.558 30 20 DJED CN(c1nc(C(C)(C)C)ccc1C#N)[C@@H]1CCC[C@H]1C(C)(C)C 1458446950 RBLDZNGVAYPVNY-HZPDHXFCSA-N 313.489 4.902 30 20 DJED C[C@H]1CCCC[C@@H]1C(=O)Nc1scc(C(C)(C)C)c1C#N 1460578138 ABKUOXFEKHEQDG-RYUDHWBXSA-N 304.459 4.682 30 20 DJED C=C(Cl)CNC(=O)N[C@H](c1ccc([C@H](C)CC)cc1)C(C)C 1467980275 YYSVFYFLHNMIHE-DYVFJYSZSA-N 322.880 4.949 30 20 DJED CCN(Cc1cccc2ccoc12)[C@H](C)c1ccc(C#N)cc1 1474370546 WIMCVNPGWKVNGO-OAHLLOKOSA-N 304.393 4.888 30 20 DJED C[C@H]1N(C(=O)c2ccc(Cl)c(C#N)c2)c2ccccc2C1(C)C 1532545971 GOXFPMBBZOVDLQ-GFCCVEGCSA-N 324.811 4.538 30 20 DJED CC(C)C[C@H]1CCN(c2c(C#N)cnc3c(Cl)cccc23)C1 1559122329 KATSIZWFQSXIPQ-CYBMUJFWSA-N 313.832 4.632 30 20 DJED CC(C)[C@@H](Nc1ncc(C#N)cc1F)c1ccc(Cl)cc1F 1559162411 HHBKFCHMHQHGFG-OAHLLOKOSA-N 321.758 4.694 30 20 DJED CC(C)(C)c1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1 1560452328 XCRWQFZFOIFCAP-UHFFFAOYSA-N 312.844 4.799 30 20 DJED N#Cc1ccc(F)c(CSc2nc3cc(F)ccc3s2)c1 1614953721 YTNUBWTWRDHTBO-UHFFFAOYSA-N 318.373 4.738 30 20 DJED CC(C)(C)c1ccc(C#N)c(NCC2(c3ccc(F)cc3)CC2)n1 1639289677 HELGHVJHSMJFGC-UHFFFAOYSA-N 323.415 4.534 30 20 DJED Cc1ccc([C@H]2CCC[C@H]2N(C)Cc2ccc(CC#N)cc2)cc1 1641871637 NSQNPCCACLBRMH-FGZHOGPDSA-N 318.464 4.829 30 20 DJED Cc1ccc([C@@H]2C[C@H](C)N(Cc3ccc(Cl)cc3C#N)C2)cc1 1642921972 TUFRTRSXXWUTFA-HNAYVOBHSA-N 324.855 4.898 30 20 DJED N#Cc1cnc(Sc2ccc(-c3ccccc3)cc2)c(F)c1 1651396426 ALSLBDJFBVNBJM-UHFFFAOYSA-N 306.365 4.911 30 20 DJED CCc1cccc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 1652554788 KDJOCQXBDMIXKN-LEWJYISDSA-N 304.437 4.521 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C[C@H](C)c1cc(F)cc(F)c1 1652707823 QCYFAFYZVRYMJS-KBPBESRZSA-N 314.379 4.633 30 20 DJED Cc1cc(OC(C)C)ccc1Nc1nc(C)c(C#N)cc1Cl 1655000682 JYOBQDISMQLBAA-UHFFFAOYSA-N 315.804 4.754 30 20 DJED C[C@H](Nc1nc(C#N)c(Cl)s1)c1c(F)cccc1Cl 1655224117 OOIPCWICCYHHIO-LURJTMIESA-N 316.188 4.634 30 20 DJED CC(=NNc1ccccc1C(=O)O)[C@@H](C)c1ccc(Cl)cc1 1776030565 PRFWJLREPMENFM-LLVKDONJSA-N 316.788 4.630 30 20 DJED CCCc1ccc(C(=O)/C=C\c2cc(C(=O)O)c(C)cc2C)cc1 1776112601 CCIJJKOAEQDRIS-KHPPLWFESA-N 322.404 4.850 30 20 DJED CCOc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC 58732859 UJLWQZZQEZWSEO-VQHVLOKHSA-N 316.784 4.643 30 20 DJED C=CCOc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1 65749266 YWZXDCLSVYIYDL-UHFFFAOYSA-N 321.298 4.523 30 20 DJED C[C@@H](NCc1ncc(-c2ccccc2)s1)c1cccc(C#N)c1 92409996 XXBJJBJKKYPJFV-CQSZACIVSA-N 319.433 4.533 30 20 DJED CCCCCCCCCC(=O)Nc1sc(C)c(C)c1C(N)=O 109473918 RUJGQHCZBVGNQW-UHFFFAOYSA-N 324.490 4.543 30 20 DJED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccsc1 112650803 OCMGQLHTBSURMS-UHFFFAOYSA-N 304.374 4.539 30 20 DJED C[C@H](N[C@@H](C)c1cccc(N2CCCC2)c1)c1ccc(C#N)cc1 126528011 SMSYSSDVHPSQOV-IRXDYDNUSA-N 319.452 4.570 30 20 DJED C=C[C@@H](CC(=O)Nc1c(F)cccc1NC1CC1)c1ccccc1 137184249 OLNKPBJCTSPVHH-AWEZNQCLSA-N 324.399 4.698 30 20 DJED C=CCCCCCN(C)[C@H](C)c1nnc(-c2cccs2)o1 150883173 BGJAWBMAWXKKQE-CYBMUJFWSA-N 305.447 4.537 30 20 DJED C[C@H](NCc1ccc(C#N)cc1F)c1cccc(Cl)c1Cl 151140300 ALAISNYYCXJVLT-JTQLQIEISA-N 323.198 4.855 30 20 DJED C=C(Br)CN[C@@H](C)c1cc(Cl)ccc1Cl 168216611 YCMWWFKSSOMWGP-QMMMGPOBSA-N 309.034 4.553 30 20 DJED CO[C@@H](C)c1nc(CS[C@H](C)c2ccc(C#N)cc2)cs1 177853294 MPQWADMDVSQRGM-NWDGAFQWSA-N 318.467 4.717 30 20 DJED C[C@H](N[C@@H]1CCSc2c(F)cccc21)c1cccc(C#N)c1 178178631 LVFJAEGHQGJLHO-YVEFUNNKSA-N 312.413 4.585 30 20 DJED CC[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 192149109 PQENTQRUNUBSTI-KRWDZBQOSA-N 302.780 4.592 30 20 DJED C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1nc(-c2ccccc2)cs1 248842122 NVALAVZKTPXKLY-LZWOXQAQSA-N 311.454 4.543 30 20 DJED C=CCC(C)(C)C(=O)Nc1cccc(COCc2ccco2)c1 292159448 FNGCRZYDZKDZGS-UHFFFAOYSA-N 313.397 4.537 30 20 DJED CCCCCCCC(=O)N(C)[C@H](C)c1sc(CC)nc1C 303830255 GORJYPLZCYTVQL-CQSZACIVSA-N 310.507 4.894 30 20 DJED CCCCCCCCNc1nc(C(F)(F)F)ccc1C(=O)O 316491893 PAUHUONLUHZMJN-UHFFFAOYSA-N 318.339 4.571 30 20 DJED COc1ccc([C@H](C)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 321892370 LRWPPUFONHDDQK-NSHDSACASA-N 320.314 4.759 30 20 DJED CC[C@@H](CC1CCCCC1)C(O)=Nc1nnc(C)n1C1CC1 329094000 BEECCZKJYKJVGL-AWEZNQCLSA-N 304.438 4.506 30 20 DJED C[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1S[C@H](C)CC#N 341145475 ALUWMSKZYLTXKM-ZNMIVQPWSA-N 314.454 4.622 30 20 DJED CC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1OC 341756082 CBUKINIWPUWYGB-PMACEKPBSA-N 320.436 4.685 30 20 DJED CC[C@@H](C)CCC(=O)Nc1ccccc1S[C@H](C)CC#N 352689778 RMRQHNYAOUMXQN-ZIAGYGMSSA-N 304.459 4.846 30 20 DJED Cc1cccc(-c2nnc([C@@H](C)Sc3ccccc3C#N)o2)c1 364268603 AAHHXIPCYPNXHS-CYBMUJFWSA-N 321.405 4.770 30 20 DJED C=CCC[C@@H](NC(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 435142902 YMYYXZGGHJTCQI-LJQANCHMSA-N 322.408 4.718 30 20 DJED C=C(C)Cn1c(C)nnc1N1CCC[C@@H]1c1ccc(C(C)C)cc1 460559271 LKFPXXOMSCZRQZ-LJQANCHMSA-N 324.472 4.628 30 20 DJED C[C@H](N[C@H]1c2ccccc2CCC[C@H]1C)c1ccc(C#N)cc1 462843342 TVYGEZSKVWURIH-VWKPWSFCSA-N 304.437 4.923 30 20 DJED CCCC[C@H](CC)C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 463312418 SZHZTNFDFZAZAL-WBVHZDCISA-N 300.446 4.684 30 20 DJED CC[C@@]1(C)C[C@@H]1C(=O)Nc1sc(-c2ccccc2)cc1C#N 466294692 BCCRQTHAONLICN-KDOFPFPSSA-N 310.422 4.661 30 20 DJED C=CCC(CC=C)C(=O)N(Cc1ccc(Cl)cc1)C1CC1 467830163 ZVAHIZQJABDGFA-UHFFFAOYSA-N 303.833 4.599 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 467849228 FWOCZAPXSOPXPY-CYBMUJFWSA-N 305.727 4.900 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc(Cl)c(OC)c1)c1ccccc1 468809711 DLMCGFZGVRTKQD-ZDUSSCGKSA-N 315.800 4.647 30 20 DJED C=CCCC1(C(=O)N2CC=C(c3cccc(Cl)c3)CC2)CC1 477362843 CBUBEJPCTWFQDZ-UHFFFAOYSA-N 315.844 4.702 30 20 DJED CCC[C@@H](CC1CCCCC1)C(=O)NCc1ccc(C#N)cc1 499412252 NULUHGCFVRMDBZ-IBGZPJMESA-N 312.457 4.561 30 20 DJED Cc1cccc(C2(NCc3ccc(F)cc3C#N)CCCC2)c1 506483605 CLPBRKMWKRSJPA-UHFFFAOYSA-N 308.400 4.565 30 20 DJED CC(C)(C)CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 521356770 QJEOKJOFAWPKJD-UHFFFAOYSA-N 308.381 4.725 30 20 DJED C=C[C@@H](CC(=O)NC(C)(C)c1cccc(F)c1)c1ccccc1 534695478 HSONGVUSGMYFSC-HNNXBMFYSA-N 311.400 4.537 30 20 DJED N#Cc1cccc(CSc2nc3cc(Cl)ccc3o2)c1F 538147279 JIANCPROPIXYOE-UHFFFAOYSA-N 318.760 4.784 30 20 DJED COc1ccccc1[C@@H](CC(C)C)NCc1ccc(CC#N)cc1 541325099 DAKNMZLFWNCELM-HXUWFJFHSA-N 322.452 4.638 30 20 DJED C=C(C)CN[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 542575483 JWTKCJOEDLUAKK-LLVKDONJSA-N 306.862 4.999 30 20 DJED N#Cc1csc(CNC2(c3ccc(Cl)c(Cl)c3)CC2)c1 545251245 JKQROCSVPYAAJC-UHFFFAOYSA-N 323.248 4.705 30 20 DJED N#Cc1ccc(Oc2nc(C(F)(F)F)cs2)c2ccccc12 549699733 YMYZIROVYRMEKY-UHFFFAOYSA-N 320.295 4.979 30 20 DJED C=CCC[C@@H](NCc1ccc(OC)c(Cl)c1)c1ccco1 552062597 AISPFATZFFSQAS-OAHLLOKOSA-N 305.805 4.739 30 20 DJED C[C@@H]1CCc2c(F)cccc2[C@H]1N[C@H]1CCc2ccc(C#N)cc21 567798265 FYBAMDBHDMHDIZ-UBWHGVKJSA-N 320.411 4.598 30 20 DJED C[C@@H](Sc1cccc(C#N)n1)c1cccc(Br)c1 574209338 ICLLJSCKKAFHIZ-SNVBAGLBSA-N 319.227 4.569 30 20 DJED N#CCCCCCc1nc(-c2cc(Cl)cc(Cl)c2)no1 589085311 PKNSBWQWWWWBSZ-UHFFFAOYSA-N 310.184 4.670 30 20 DJED N#CCCCCCC(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 590884017 XBOZRILPDKPNKX-OALUTQOASA-N 312.457 4.551 30 20 DJED C=CCSCc1csc(COc2ccc(Cl)cc2)n1 609633815 HWMOXMGPEWYGDH-UHFFFAOYSA-N 311.859 4.795 30 20 DJED C[C@@H](CCC(C)(C)C)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 609926835 KJOJTOBLPRTMDR-AWEZNQCLSA-N 315.461 4.824 30 20 DJED C=C(C)CN(CC)C(=O)CCCc1ccc(Cl)c(Cl)c1 614556481 HKPFBPZBKBJULA-UHFFFAOYSA-N 314.256 4.741 30 20 DJED C[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc(C#N)c(Cl)c1 619754490 AXYZRGIGDAQZJZ-BFUOFWGJSA-N 310.828 4.625 30 20 DJED C[C@@H](NCCCC(F)(F)F)c1ccc(F)cc1C(F)(F)F 623901635 NVXOQBAHKPPYJT-MRVPVSSYSA-N 317.248 4.838 30 20 DJED CCC(C)(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 726753739 RFQIKKFXDFOQLG-GOSISDBHSA-N 306.409 4.717 30 20 DJED Cc1cc(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)ccc1O 728231716 NYJDGPXVYAZFPJ-YWEYNIOJSA-N 306.283 4.616 30 20 DJED CCCCCCCCC(=O)NC1(c2ccccc2)CCOCC1 732744531 ZVEOFGVCHFBZDV-UHFFFAOYSA-N 317.473 4.559 30 20 DJED CC(=NNc1cccc(C#N)c1)c1ccc(SC(F)F)cc1 734978929 XYYMMFFMMWOBRK-UHFFFAOYSA-N 317.364 4.709 30 20 DJED CCOc1ccc(Cl)cc1C(=O)/C=C/c1ccc(C#N)cc1 735978239 AAIADIIODHTWGC-VQHVLOKHSA-N 311.768 4.506 30 20 DJED O=C1/C(=C\c2cc3cc(F)ccc3o2)CSc2ccccc21 741853382 XMERTCAEAUIQPY-XFXZXTDPSA-N 310.349 4.944 30 20 DJED C/C(=C\C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1)C(C)(C)C 742657097 LQOKHZSHUZSAEC-ABDJAZHISA-N 312.457 4.657 30 20 DJED N#Cc1cccc(COC(=O)C2CCC(c3ccccc3)CC2)c1 744119003 KTZADZXXUQFJRB-UHFFFAOYSA-N 319.404 4.575 30 20 DJED Cc1cc2cc(C(=O)/C=C/c3cnc4ccccn34)oc2cc1C 749132997 SLQCTJHVBHPUEO-VOTSOKGWSA-N 316.360 4.593 30 20 DJED Cc1ccc(CCCC(=O)O[C@H](C)c2ccc(C#N)cc2)s1 750860483 IJCXJPGIJGLJGK-CQSZACIVSA-N 313.422 4.555 30 20 DJED CC(C)c1ccc(N(C)C(=O)c2ccc(Cl)c(C#N)c2)cc1 754369348 QYDCTKXDBQXJBX-UHFFFAOYSA-N 312.800 4.612 30 20 DJED CC(=NNc1cc(Cl)ccc1Cl)c1ccc(N)cc1C 758117180 KQXOKUUWQLQKAC-UHFFFAOYSA-N 308.212 4.720 30 20 DJED CC(C)(C#N)CCCCN1CCC[C@@H]1c1ccc(F)c(F)c1 769728492 ZZYNXZSQVCOENI-QGZVFWFLSA-N 306.400 4.822 30 20 DJED C#CC[C@@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1ccccc1 773106261 KYAXHABGZXITLP-FZKQIMNGSA-N 301.792 4.894 30 20 DJED C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CCC(F)(F)C2)cc1 777240790 CJJXOTSTXWTVSN-GXTWGEPZSA-N 315.791 4.656 30 20 DJED C#CCCCCCC(=O)Nc1ccc(CCC(F)(F)F)cc1 779930439 LKAJGWCATYIVBY-UHFFFAOYSA-N 311.347 4.704 30 20 DJED C#CCCCCCC(=O)N1CCC[C@@H]1CCCc1ccccc1 779987491 ZMBKGTZUYFVKRU-FQEVSTJZSA-N 311.469 4.584 30 20 DJED FC(F)(F)c1ccccc1ON=C1CCC2(CCCO2)CC1 788024236 KJIUGULKFLGODA-UHFFFAOYSA-N 313.319 4.563 30 20 DJED Cc1ccsc1C(=O)/C=C/c1cnc(-c2ccco2)s1 789144202 SZXVVDIQNGQYMD-SNAWJCMRSA-N 301.392 4.669 30 20 DJED CC[C@@H](CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)C(C)C 797568022 NJBSNTKUJYQFSZ-QWHCGFSZSA-N 306.475 4.689 30 20 DJED Cc1nn(C(C)C)cc1/C=C\C(=O)c1c(C)oc2ccccc12 834456053 VADLAPROZBGTKT-KTKRTIGZSA-N 308.381 4.723 30 20 DJED COc1ccc(N[C@@H]2CCCc3cc(C#N)ccc32)cc1SC 840773382 FGNSPVWBAGPOIC-QGZVFWFLSA-N 324.449 4.778 30 20 DJED CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 916137851 GIIOLUXHUGIDIK-JLHYYAGUSA-N 321.420 4.839 30 20 DJED N#C[C@H](C(=O)CSc1ccc2ccccc2c1)c1ccccc1 917136603 IMJUBHHOJWEOSC-IBGZPJMESA-N 317.413 4.808 30 20 DJED CCc1c(C(=O)/C=C2/COc3ccc(F)cc32)oc2ccccc12 918155253 FUSXYPRCDHMJSE-XFXZXTDPSA-N 322.335 4.793 30 20 DJED N#CC1(C(=O)Oc2ccc3oc4ccccc4c3c2)CCCCC1 920018718 KOKDSPWIPCBHBO-UHFFFAOYSA-N 319.360 4.965 30 20 DJED CCC/C(C)=C\C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 920325141 ZNJPMYWJKOEUAG-UMAGTOLTSA-N 318.829 4.872 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1cnc2ccccc2c1 1189567644 VTJAMJWSDCNWJH-UHFFFAOYSA-N 308.768 4.647 30 20 DJED C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)Cc1ccc(C#N)s1 1191485426 GSZWYPRGJKKMPD-STQMWFEESA-N 318.873 4.897 30 20 DJED C=C[C@](C)(CC)c1nnc(COc2ccc3ccccc3c2)o1 1261573902 HQZJCSMBIOFPRE-LJQANCHMSA-N 308.381 4.656 30 20 DJED Cc1oc(C#N)cc1C(=O)N[C@@H](c1ccc(C(C)C)cc1)C(C)C 1264260918 YLFUGWXXJSDHCE-LJQANCHMSA-N 324.424 4.710 30 20 DJED C[C@@H]1CCN(C(=O)[C@H](CC#N)c2ccccc2)CC12CCCCC2 1296746911 XHKCLNNMDRQVEV-IEBWSBKVSA-N 324.468 4.503 30 20 DJED CC[C@@H]1CCC[C@@H]1CNc1ccc(C#N)c(Br)c1 1307123867 VVAXVESQVNTPDT-DGCLKSJQSA-N 307.235 4.559 30 20 DJED CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc2c(c1)oc1ccccc12 1324125498 NPULEZOLJPVERA-HXUWFJFHSA-N 320.392 4.644 30 20 DJED CCN(C(=O)c1cccc(C#N)c1C)c1ccc2ccccc2c1 1327100640 CRQYVSNKFAHQGN-UHFFFAOYSA-N 314.388 4.687 30 20 DJED N#Cc1cc(-c2nc(-c3c(Cl)cccc3Cl)no2)cs1 1333201076 CDWFLTXUFWCLLH-UHFFFAOYSA-N 322.176 4.644 30 20 DJED C[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C1CCC1 1434916225 SKTWNXAGBZKJIR-AWEZNQCLSA-N 320.392 4.725 30 20 DJED Cc1cccc(-c2nsc(Sc3cccc(C#N)c3)n2)c1 1458239404 ZMJFHGLZEISCGD-UHFFFAOYSA-N 309.419 4.536 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)C[C@@H]1CCCCC1(F)F 1459392918 VIYAOHGHOLWGEY-SFHVURJKSA-N 320.427 4.842 30 20 DJED C[C@H]1CN(Cc2ccc(C#N)cc2Cl)CC[C@@H]1c1ccccc1 1459670467 TYAWKWAYKILPDY-KXBFYZLASA-N 324.855 4.837 30 20 DJED CCCC[C@@H](C)N(CCCC)C(=O)Nc1ccc(C#N)cc1 1464908501 BHCSBDPBMTVFBX-OAHLLOKOSA-N 301.434 4.771 30 20 DJED CC(C)CCC[C@H](C)Nc1nccc(Oc2cccc(C#N)c2)n1 1472672113 DWSWMLURSAVKIK-HNNXBMFYSA-N 324.428 4.767 30 20 DJED CCCc1ccc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 1473180901 PUGOUXZGCTVAJK-YADHBBJMSA-N 318.464 4.911 30 20 DJED CC(C)(CC#N)CN[C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 1474571792 WCCWZQNRZOFXBN-RDJZCZTQSA-N 304.865 4.581 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@@H]1CNc1nc(Cl)c(C#N)s1 1559089714 VXXIBVHTJHGUCP-GHMZBOCLSA-N 311.882 4.933 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C/C=C/c1ccc(F)c(F)c1 1560897652 IJRJDIIOCOZPEF-YVARQFDVSA-N 312.363 4.543 30 20 DJED N#C[C@@H]1CCC[C@@H](NCc2cccc(Oc3ccccc3F)c2)C1 1560914394 JALVXDNDBWTOIA-NVXWUHKLSA-N 324.399 4.790 30 20 DJED Cc1ccc(C#N)cc1C(=O)N1CCCCc2c(Cl)cccc21 1584521669 ZQBZGVYIHJSBGN-UHFFFAOYSA-N 324.811 4.503 30 20 DJED Cc1ccc(CCCC(=O)Nc2ccc(Cl)cc2C#N)s1 1587283884 WXXWQYDOACEFRD-UHFFFAOYSA-N 318.829 4.543 30 20 DJED Cc1ccc(-n2ccnc2SCC2(C#N)CCCC2)cc1C 1613353402 UTQVUXJMWNTNQT-UHFFFAOYSA-N 311.454 4.665 30 20 DJED Cc1c(C#N)cccc1NCc1ccc(-c2ccc(F)cc2)o1 1620955149 UPCFCVWVZCRPPK-UHFFFAOYSA-N 306.340 4.878 30 20 DJED CC(C)(C#N)c1ccccc1CN1CC[C@@H](Cc2ccccc2)C1 1652568582 XAXACACGBXMWBV-IBGZPJMESA-N 318.464 4.552 30 20 DJED C[C@@H](c1cccc(C(F)(F)F)c1)N(CC1(CC#N)CC1)C1CC1 1653277332 KTSYFFMQNYIIKT-ZDUSSCGKSA-N 322.374 4.925 30 20 DJED CN(CCOc1ccccc1C(C)(C)C)[C@H](C#N)c1ccccc1 1653452691 KRECWEKJUPVSQM-LJQANCHMSA-N 322.452 4.560 30 20 DJED Cc1cc(Sc2cccc(C#N)c2)nc(-c2cccs2)n1 1655236024 OVHMNWMYOAHNIL-UHFFFAOYSA-N 309.419 4.536 30 20 DJED N#Cc1ccc(-c2ccc(OC(=O)C3CCCCC3)cc2)cc1 7842930 PMABLSSGNSDLCO-UHFFFAOYSA-N 305.377 4.711 30 20 DJED C[C@H](Nc1ncc(C#N)cc1Cl)c1ccc2c(c1)CCCC2 60372193 FJAKCHUTQWYVEF-LBPRGKRZSA-N 311.816 4.659 30 20 DJED C=CCOc1ccc(CN[C@@H]2CCc3cc(Cl)ccc32)cc1 62257605 XFJPFZPPKQRPHK-LJQANCHMSA-N 313.828 4.682 30 20 DJED CC(C)(C)c1csc(NC(=O)c2cccc(Cl)c2)c1C#N 75296938 VJCQPPLZZAOTHQ-UHFFFAOYSA-N 318.829 4.823 30 20 DJED C[C@@H](Nc1cccc(OCCCC#N)c1)c1cc(F)ccc1F 79724201 OFPYFFUIWRHVPW-CYBMUJFWSA-N 316.351 4.820 30 20 DJED CCSc1ccc(Cl)cc1C(=O)Nc1ccc(C#N)cc1 84058555 BBUMRSLCZNKRMP-UHFFFAOYSA-N 316.813 4.576 30 20 DJED CCCCCCC(=O)Nc1ccccc1S[C@@H](C)CC#N 108981699 OKRWSOAWPMQSQN-AWEZNQCLSA-N 304.459 4.990 30 20 DJED COc1cc(C(=O)/C=C\c2cccc(Cl)c2Cl)ccc1O 111685760 SBHKSELBPQZKJJ-ALCCZGGFSA-N 323.175 4.604 30 20 DJED N#Cc1ccc(CN[C@@H]2CCc3c2ccc(Cl)c3Cl)cc1 113346207 BJSCVQYKMIPYQC-MRXNPFEDSA-N 317.219 4.642 30 20 DJED CCc1cccc(C)c1NC(=O)N[C@H](CCC#N)c1ccccc1 159617034 MUYNIMIKOBWAQX-GOSISDBHSA-N 321.424 4.724 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)Nc1cccc2[nH]ccc12 171391930 GZNXVESTVHWIDO-UHFFFAOYSA-N 323.371 4.527 30 20 DJED CC1(C)CCCC[C@@H]1CC(=O)[C@@H](C#N)c1nc2ccccc2o1 178717293 AAOKISYBLBMEFQ-ZIAGYGMSSA-N 310.397 4.611 30 20 DJED CC[C@@H](CC#N)NC(=O)c1ccc(C)cc1Sc1ccccc1 183831169 VCNYKSUGFWVNJK-HNNXBMFYSA-N 324.449 4.568 30 20 DJED CC[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc(OC)cc1 193906057 AOMKDSKURQYJKE-HXUWFJFHSA-N 324.424 4.941 30 20 DJED C[C@H]1C/C(=C\c2ccc(O[C@H](C)C#N)cc2)C(=O)c2ccccc21 255563187 BOEYPTXMBZWUKL-YGCPDCGUSA-N 317.388 4.751 30 20 DJED C=CCn1c(S[C@H](C)c2ccc(C#N)cc2)nc2ccccc21 303661118 DIMBPTPUXUGMMG-CQSZACIVSA-N 319.433 4.947 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C/c3cc(C)ccc3F)c2c1 303696275 WJMCCHDPPMVDAC-XBXARRHUSA-N 309.340 4.520 30 20 DJED CC(C)Sc1ccccc1/C(O)=N/C1CCC(C(=N)O)CC1 330603338 FYLPOUPJOJXKTP-UHFFFAOYSA-N 320.458 4.586 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1ccc(F)c2ccccc12 361876565 FGBXIOKGCKXUQK-UHFFFAOYSA-N 312.388 4.523 30 20 DJED C=CCCCCCN(C)C(=O)c1ncsc1-c1ccccc1 438027335 PJBKRIALQGXQON-UHFFFAOYSA-N 314.454 4.629 30 20 DJED C=CC[C@H](CC)NC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 466378470 NPPMPODSNCZGFI-JKSUJKDBSA-N 306.837 4.541 30 20 DJED C=CCCC(=O)N[C@@H](CC(C)C)c1ccccc1OCCC 470241875 NATILHBMKDXLCC-KRWDZBQOSA-N 303.446 4.645 30 20 DJED C=CCCCCNC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 472842738 WANZWHBFBJKABJ-INIZCTEOSA-N 306.837 4.543 30 20 DJED N#CC[C@H](CC(=O)NCCCCC1CCCC1)c1ccccc1 476199555 WCBRBAUDNIXQKF-LJQANCHMSA-N 312.457 4.551 30 20 DJED CCC(CC)N(CC(C)C)C(=O)C[C@H](CC#N)c1ccccc1 476234812 HQCSQSJJUIPMAR-SFHVURJKSA-N 314.473 4.747 30 20 DJED CC(C)(C#N)CCCN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 485860047 BSJGEAPEHXJAMJ-XUVXKRRUSA-N 310.485 4.975 30 20 DJED C=CC[C@@H](C(=O)Nc1ccccc1OCC1CC1)c1ccccc1 489014423 OQDZASDEZGVXLD-GOSISDBHSA-N 321.420 4.774 30 20 DJED Cc1ccc2c(CSc3ccc(C#N)cc3F)ccc(O)c2n1 509063787 HHZSQHGIELTDLF-UHFFFAOYSA-N 324.380 4.552 30 20 DJED C=CCCC(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 520338212 YKDXGOOFIKTAOH-UHFFFAOYSA-N 310.328 4.539 30 20 DJED CCCC[C@@H](CC)CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 524208310 AEPQVSFMVAGFGL-CJNGLKHVSA-N 306.837 4.627 30 20 DJED Cc1cccc(-c2cccc(CNCc3ccc(C#N)s3)c2)c1 539497731 UFNQMCCPUDPRBH-UHFFFAOYSA-N 318.445 4.885 30 20 DJED C=CCN(Cc1ccc(Cl)s1)Cc1ncc(CC)s1 542465370 KREJEAHSXPAQLM-UHFFFAOYSA-N 312.891 4.609 30 20 DJED CC(C)n1cc([C@@H](C)Nc2ccc(C(F)(F)F)c(C#N)c2)cn1 547328922 OUSXSFUZZNSWHQ-LLVKDONJSA-N 322.334 4.528 30 20 DJED C=CCn1c(C(C)C)nnc1N1CCC[C@@H]1c1cc(C)ccc1C 563782839 NUYHCSFSZVMMDT-GOSISDBHSA-N 324.472 4.546 30 20 DJED CCC[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(OC)cc1 580175282 XHFCETWBRNFWAB-HXUWFJFHSA-N 320.436 4.687 30 20 DJED Cc1cc(F)c(C(F)(F)F)cc1NCc1ccc(C#N)cc1 600852596 WGBSNKHADSGZGD-UHFFFAOYSA-N 308.278 4.637 30 20 DJED CC(C)(C)C[C@@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1 603742772 JOFCJIZJLWFPRB-LJQANCHMSA-N 320.436 4.660 30 20 DJED O=C1/C(=C\c2cccnc2Cl)CSc2ccc(Cl)cc21 726366517 YCQFHQDGMNJCFR-POHAHGRESA-N 322.216 4.760 30 20 DJED N#CCOc1ccc(CN(c2ccccc2)C2CCCC2)cc1 731214816 QVKSSIWLTHFBFF-UHFFFAOYSA-N 306.409 4.538 30 20 DJED CC(=NNc1ccc(F)cc1)c1cccc(-c2ccncc2)c1 741451957 RFQWXGSQRUSJCO-UHFFFAOYSA-N 305.356 4.724 30 20 DJED Cc1cccn2c(/C=C/C(=O)c3ccc4ccccc4c3)cnc12 741463355 DIJJDLRURGDCKN-ZHACJKMWSA-N 312.372 4.692 30 20 DJED COCc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1 741840117 HCJSEVSVJDUZBT-JLHYYAGUSA-N 302.373 4.882 30 20 DJED COc1ccc(/C=C\C(=O)C2CCCCC2)cc1Br 747003477 HWGAYUMBPATNRL-CLFYSBASSA-N 323.230 4.620 30 20 DJED Cc1ccc(-c2nc(/C=C/C(=O)c3coc(C(C)C)n3)co2)cc1 752888680 NYWDCTNADOIJFO-CMDGGOBGSA-N 322.364 4.658 30 20 DJED C[C@@H](OC(=O)CC(c1ccccc1)c1ccccc1)C(C)(C)C#N 753613417 LIFGTYZWNQPRLY-MRXNPFEDSA-N 321.420 4.690 30 20 DJED CC(C)(C)c1ccc(C=NOCc2csc(C3CC3)n2)cc1 758402576 VNFIZJKNGQMRMP-UHFFFAOYSA-N 314.454 4.869 30 20 DJED CC(=NOCC(F)(F)F)C(c1ccccc1)c1ccccc1 764836801 ZTDHIGZPJWVYCG-UHFFFAOYSA-N 307.315 4.773 30 20 DJED C=CC[C@H](N[C@H](C)c1ccc(OC(C)C)cc1)c1ccncc1 766022887 YMDYJBIOCXTCJL-UZLBHIALSA-N 310.441 4.837 30 20 DJED O=C(/C=C/c1ccccc1OC(F)F)c1ccc(O)c(Cl)c1 768754181 DECGCJOMJROXBD-FNORWQNLSA-N 324.710 4.543 30 20 DJED C=CCC[C@@H](C(=O)OCc1ccnc(Cl)c1)c1ccccc1 778552470 NFYTTYUXQMBTOR-MRXNPFEDSA-N 315.800 4.528 30 20 DJED Fc1cc(NN=Cc2c(Cl)ccc(Cl)c2Cl)ccn1 781128636 ZCPMQHYZQNHGHY-UHFFFAOYSA-N 318.566 4.627 30 20 DJED Cc1cc(/C=C\C(=O)c2cccc(F)c2F)cc2cccnc12 783713943 XHFMDVLXCIBDQF-FPLPWBNLSA-N 309.315 4.718 30 20 DJED Cc1ccc(/C=C/C(=O)c2csc(Cl)c2)cc1[N+](=O)[O-] 787185922 JWLSFTBPUBDWLJ-SNAWJCMRSA-N 307.758 4.514 30 20 DJED C#CCC1(C(=O)N[C@H](C)c2cc(C)sc2C)CCCCC1 788157865 VJBXWTQYHUEUIU-CQSZACIVSA-N 303.471 4.516 30 20 DJED CCc1cccc(Cl)c1C=NNc1nccc2sccc12 788715314 XEGOXQNRDXPKAA-UHFFFAOYSA-N 315.829 4.958 30 20 DJED COc1ccccc1CON=Cc1c(Cl)oc2ccccc12 799118504 JHNJEEGNJCTKJD-UHFFFAOYSA-N 315.756 4.646 30 20 DJED Fc1cccc(Cl)c1NN=C1CCC[C@H](c2cccnc2)C1 799885356 FPNQPNFXSAFRGT-LBPRGKRZSA-N 317.795 5.000 30 20 DJED CSC(C)(C)CC=NNc1ccnc2cc(Cl)ccc12 814694177 YUQMFSHGZMBERF-UHFFFAOYSA-N 307.850 4.818 30 20 DJED CCCC(=NNc1ccc(C(F)(F)F)cc1)c1cccnc1 814882781 XGZORGYOCQDCHC-UHFFFAOYSA-N 307.319 4.717 30 20 DJED C=CCC(F)(F)C(=O)Nc1cc(-c2ccc(C)o2)ccc1C 816546093 WBFNIORTBQQPAF-UHFFFAOYSA-N 305.324 4.713 30 20 DJED C[C@H](CC(=O)[C@H](C#N)c1nc(C2CC2)cs1)CC(C)(C)C 842939431 QGBCLWLIEJUDPP-YPMHNXCESA-N 304.459 4.659 30 20 DJED Cc1cccc(-c2cncc(C(=O)O[C@@H](C)CC(C)(C)C#N)c2)c1 851207919 JSGDSDLPXBBBQV-HNNXBMFYSA-N 322.408 4.542 30 20 DJED C=CC(C)(C)CC(=O)N1CCC[C@H]1c1nc2ccccc2s1 878027359 FUVMYRHTLABNBK-AWEZNQCLSA-N 314.454 4.562 30 20 DJED CO[C@@H](C)c1nc(CSCCCCC2(C#N)CCC2)cs1 901770204 UTVKAVYNGBRTQM-ZDUSSCGKSA-N 324.515 4.948 30 20 DJED Cc1cccc2sc(C(=O)OCCCCC#N)c(Cl)c12 914626725 YOFXBPPCXRPJJY-UHFFFAOYSA-N 307.802 4.714 30 20 DJED Cc1ccc2c(c1)C/C(=C\c1csc(Br)c1)C2=O 921269442 LKASBHOWZSJUII-LFYBBSHMSA-N 319.223 4.641 30 20 DJED CC1(C)CC[C@H](NC(=O)CC2(C#N)CCCCC2)c2ccccc21 1125525839 VRLGDAKNYVMXFJ-SFHVURJKSA-N 324.468 4.779 30 20 DJED CCN(Cc1ccc(CC#N)cc1)c1ccc2ccccc2c1 1167740367 KMSSMUAJZMSOEG-UHFFFAOYSA-N 300.405 4.932 30 20 DJED C/C(=C\Cl)CSc1c(C#N)cnc2c(Cl)cccc12 1186305915 WMOHPPWOACKUMF-WEVVVXLNSA-N 309.221 4.995 30 20 DJED CCc1ccc([C@H]2CCN(Cc3ccc(Cl)cc3C#N)C2)cc1 1194714500 INLOOFQKWUGSTD-SFHVURJKSA-N 324.855 4.764 30 20 DJED C[C@@H]1CCc2sc(NC(=O)CC(C)(C)C)c(C#N)c2[C@@H]1C 1274492999 STYQUEGTUVWKDS-GHMZBOCLSA-N 304.459 4.680 30 20 DJED COc1ccc(C#N)cc1CN1CCCCC[C@@H]1c1ccc(C)o1 1307488679 GFGDMDAGOMLARY-GOSISDBHSA-N 324.424 4.586 30 20 DJED Cc1ccc(O)c2c1[C@@H](C)/C(=C/c1ccc3ncccc3c1)C2=O 1318306690 AQRROUGPJKKVFF-RERGGYADSA-N 315.372 4.632 30 20 DJED N#Cc1ccc(NC(=O)[C@H]2CCC[C@@H]2c2ccccc2)cc1Cl 1352434533 JIQGHNBTXHKHPC-SJORKVTESA-N 324.811 4.734 30 20 DJED CCCC[C@H](CC)CC(=O)N(CCC)Cc1ccc(C#N)cc1 1353508840 XZILKRGERNYGNU-KRWDZBQOSA-N 314.473 4.903 30 20 DJED CC(C)CN(C(=O)[C@H]1CCCCC1(C)C)c1ccc(C#N)cc1 1358199629 XSUMYTMTAXEJGH-GOSISDBHSA-N 312.457 4.764 30 20 DJED CC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1436351696 IMFPORCQSWRLDL-BBRMVZONSA-N 314.429 4.500 30 20 DJED CC(C)CCc1ccc(NC(=O)c2cccc(F)c2C#N)cc1 1442594786 LMZLHMFSYJUAKN-UHFFFAOYSA-N 310.372 4.538 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1OC(F)F)C1CCCCCC1 1459921968 NCYPLYXWUFCTOC-CYBMUJFWSA-N 322.399 4.608 30 20 DJED COCC[C@H](Sc1cccc(F)c1C#N)c1ccccc1 1473037727 HXVYPIKTCFEFEW-INIZCTEOSA-N 301.386 4.567 30 20 DJED CC(C)Cc1ccc(CCC(=O)Nc2cccc(CC#N)c2)cc1 1526247768 BAZBYXRBWMCMRG-UHFFFAOYSA-N 320.436 4.522 30 20 DJED CC[C@H](CC(=O)Nc1cc(C#N)ccc1F)c1ccc(C)cc1 1535455704 RBHDQWMAJXNZCH-OAHLLOKOSA-N 310.372 4.528 30 20 DJED COc1ccccc1[C@H](CC(C)C)OC(=O)c1ccc(C#N)cc1 1584072094 SCUBHGQLVDIRNY-IBGZPJMESA-N 323.392 4.511 30 20 DJED Cc1nc(N[C@H](C)c2ccc(SC(C)C)cc2)ccc1C#N 1611958572 MGWYVLATJKNTJH-CYBMUJFWSA-N 311.454 4.935 30 20 DJED N#Cc1c(F)cccc1Nc1ccc(OC2CCCC2)c(F)c1 1650796459 ZHDJYQLTUGEHBY-UHFFFAOYSA-N 314.335 4.901 30 20 DJED CCCCc1ccc([C@H](Nc2nc(C)cc(C#N)n2)C(C)C)cc1 1651320928 HTKCKWCOHYKPMJ-LJQANCHMSA-N 322.456 4.809 30 20 DJED C[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)C1CCCCCC1 1669869160 ILSGLRISLLZJGO-GFCCVEGCSA-N 319.836 4.692 30 20 DJED N#Cc1ccc(C(=O)Nc2ccc3oc4ccccc4c3c2)cc1 14906449 DNHOCFQTQMORGL-UHFFFAOYSA-N 312.328 4.710 30 20 DJED O=C(/C=C/c1cc(Br)cs1)c1cccc(F)c1 57435489 VGZWCYMAYRIMED-SNAWJCMRSA-N 311.175 4.546 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](C)c1ccccc1 123741531 WBMOWEAEDJPLJF-HUUCEWRRSA-N 324.449 4.681 30 20 DJED CCCCCCCCC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 131977227 NEVIBFPYETZZND-RTBURBONSA-N 317.473 4.774 30 20 DJED N#Cc1cccc(SCc2ncc(-c3ccccc3F)o2)c1 158670267 RMFQLLVGLSXESZ-UHFFFAOYSA-N 310.353 4.645 30 20 DJED CC[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)c1c(C)noc1C 167343456 JYZXQVUWUJWEDC-CQSZACIVSA-N 323.318 4.745 30 20 DJED CC(C)(C)c1ccc(CCCCC(=O)NCCCCC#N)cc1 171499939 WCPHQEQVEFKSNY-UHFFFAOYSA-N 314.473 4.507 30 20 DJED CCCCN(CCCC)Cc1ccc(Br)cc1C#N 311792089 CAAUGBXIDPRRDA-UHFFFAOYSA-N 323.278 4.723 30 20 DJED CC1(C)CCCC[C@H]1C(O)=Nc1cccc([C@@H]2CN=C(O)C2)c1 329886120 VQZDWUOLWFWMJC-HOCLYGCPSA-N 314.429 4.935 30 20 DJED N#C[C@@H]1CCC[C@@H]1/N=C(/O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 330053637 QSFUQHLBYZLTKO-MANSERQUSA-N 304.393 4.592 30 20 DJED C#CCCCN[C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 388842534 DNDCFLOLUNSOMU-JTQLQIEISA-N 323.280 4.788 30 20 DJED CC(C)CC1(C(=O)Nc2ccc(CC#N)cc2Cl)CCC1 411019640 UBETVIHIXOIKQM-UHFFFAOYSA-N 304.821 4.561 30 20 DJED C=CCN(Cc1cccc(C#N)c1)[C@H](C)c1ncc(C(C)(C)C)o1 411187421 AVLMQCYDVMVHDM-OAHLLOKOSA-N 323.440 4.593 30 20 DJED Cc1cccc(Cl)c1C[S@](=O)CCCCC(C)(C)C#N 417172215 FSNNWOJKKCWYDE-HXUWFJFHSA-N 311.878 4.617 30 20 DJED CCCc1cc(C(=O)Nc2ccc(C#N)cc2Cl)sc1C 430354176 JZFRJMDAWNMTPH-UHFFFAOYSA-N 318.829 4.786 30 20 DJED C=CCC[C@H](NC(=O)N(C)C(C1CC1)C1CC1)c1ccccc1 435118073 WTYCXOAKSSZIMA-SFHVURJKSA-N 312.457 4.524 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc2cc(C)c(C)cc2o1 436294696 GKITXNGYXNHKSG-QINHECLXSA-N 313.441 4.681 30 20 DJED C[C@H](NCCCCC(C)(C)C#N)c1cc2cccc(F)c2o1 444692514 MMLOIDNXQGGBOY-ZDUSSCGKSA-N 302.393 4.943 30 20 DJED Cc1ccccc1[C@H](CC(F)(F)F)NCCCC(C)(C)C#N 444781813 PLOJSUOCZVSJRR-HNNXBMFYSA-N 312.379 4.908 30 20 DJED CC[C@@H](NCc1ccc(Cl)cc1F)c1ccc(C#N)cc1 447600524 MPEFIYLWRUZYOV-QGZVFWFLSA-N 302.780 4.592 30 20 DJED N#Cc1cc(F)ccc1NC(=O)c1ccc(C2=CCCC2)cc1 464273312 GAEDAPAHIOQOHJ-UHFFFAOYSA-N 306.340 4.517 30 20 DJED C=CCCC1(C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)CC1 477018720 JXRWGWITQYNJHZ-UHFFFAOYSA-N 323.440 4.681 30 20 DJED C=C[C@](C)(CC)C(=O)N1CC=C(c2cccc(Cl)c2)CC1 477367743 SDGCMXLITDJFES-GOSISDBHSA-N 303.833 4.558 30 20 DJED C=C[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1Cl 488821015 JILVJKZALLOBRH-LLVKDONJSA-N 317.738 4.540 30 20 DJED COc1ccc(/C=C\c2ccc(C#N)cn2)cc1OCCC(C)C 496569878 HYQFBHINXSIIIF-DAXSKMNVSA-N 322.408 4.557 30 20 DJED C=C(C)CN(CC)C(=O)c1ccccc1Nc1ccc(C)cc1 516798119 SFKHBOAUKJYGFS-UHFFFAOYSA-N 308.425 4.777 30 20 DJED N#Cc1ccc(F)c(CSCCCOc2ccc(F)cc2)c1 517284836 QVUOCAOZYLSGOM-UHFFFAOYSA-N 319.376 4.539 30 20 DJED C=CCCCNc1ccc(C(=O)NC(C)(C)CC)c(Cl)c1 524842806 VXOUFJQDMOPMFV-UHFFFAOYSA-N 308.853 4.637 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)c1c(C)cccc1C 525329498 MFSVUAGORMVYGM-UHFFFAOYSA-N 319.857 4.847 30 20 DJED CSc1ccc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 537620281 QANYZPQQQJBADH-VQTJNVASSA-N 322.477 4.680 30 20 DJED CCC(CC)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542001991 ZFXCCKJWAOOVTO-OAHLLOKOSA-N 320.436 4.839 30 20 DJED CCN(Cc1ccc(SC)s1)[C@H](C)c1ccc(C#N)cc1 576392867 XUNTUQUXKPCYCX-CYBMUJFWSA-N 316.495 4.925 30 20 DJED C[C@H](C#N)CSc1ccccc1NCc1ncccc1Cl 600553866 ATUAVQYXNZMYAQ-GFCCVEGCSA-N 317.845 4.599 30 20 DJED C[C@H](NC[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cccc(C#N)c1 611438806 WBZAZNKBJBSPEM-RCBQFDQVSA-N 310.363 4.578 30 20 DJED CC(C)c1ccc(NC(=O)NCC(C)(C)C#N)c(C(C)C)c1 611620105 YOKSQFXVMNSKHB-UHFFFAOYSA-N 301.434 4.605 30 20 DJED C#CCCOc1ccc(CN[C@H](c2ccccc2C)C(C)C)cc1 733326729 WGTCJVSWRGFQJM-QFIPXVFZSA-N 321.464 4.884 30 20 DJED C#Cc1cccc(NC(=O)C2CCC(c3ccccc3)CC2)c1 742511925 PNLUBGZPEGMYQF-UHFFFAOYSA-N 303.405 4.580 30 20 DJED COc1ccc(OC)c(C(=O)/C=C/C(C)=C\c2ccccc2)c1 750897093 WDXNGSMHWVXKIR-NYWYOEKOSA-N 308.377 4.546 30 20 DJED CCc1ccc(C(=O)/C=C\c2cccc(OC)c2OC(C)C)o1 752238878 YMBPDTSNNSTRKV-LUAWRHEFSA-N 314.381 4.534 30 20 DJED C[C@H](SCc1cccc2nsnc12)c1ccc(C#N)cc1 764641176 OEWXSALKEVBTTJ-NSHDSACASA-N 311.435 4.557 30 20 DJED N#C[C@H]1CCC[C@H](Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 765942052 UTTJGFVXPPHNKJ-GJZGRUSLSA-N 312.413 4.612 30 20 DJED CC[C@H](C)N(Cc1ccccc1)Cc1ccc(O[C@@H](C)C#N)cc1 768192663 BDLCJPCUOMXEKV-ROUUACIJSA-N 322.452 4.778 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1CCC(c2cccc(F)c2)CC1 782181736 KORPRLYRDOPCST-HNNXBMFYSA-N 308.400 4.638 30 20 DJED CC(C)(C)Oc1c(F)cc(NCc2cccc(C#N)c2)cc1F 782218770 FSMVNZWDPHJNCV-UHFFFAOYSA-N 316.351 4.626 30 20 DJED CCCCCCCC[C@@H](C)CC(=O)N1CCC[C@H](OC)CC1 783081669 XKXQRQKRDRDUGV-MSOLQXFVSA-N 311.510 4.791 30 20 DJED CCCCCCCCC[C@H](C)CC(=O)N1CCC(C)(O)CC1 787425455 KUVSCOFFJQGPCL-KRWDZBQOSA-N 311.510 4.527 30 20 DJED C=CCCN(OCc1ccccc1)c1ccc(C(F)(F)F)cn1 788859597 AJJOICHABLWNIU-UHFFFAOYSA-N 322.330 4.615 30 20 DJED C=CC[C@H](C)[C@@H](C)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 792178831 GILAEJCQKUMTHY-YNEHKIRRSA-N 319.836 4.641 30 20 DJED CCOc1ccc(C=Nc2cccc(-c3ncco3)c2C)c(O)c1 793653133 DHMHKEMRXCINGX-UHFFFAOYSA-N 322.364 4.505 30 20 DJED CC1(C)C/C(=C\c2cccc(OCC#N)c2)C(=O)c2ccccc21 794967608 GMCPMLGNUGMFAJ-FOWTUZBSSA-N 317.388 4.537 30 20 DJED C[C@H](OC(=O)c1ccc(C(C)(F)F)cc1)c1cccc(C#N)c1 796268693 NSJBPFPNVQHDPG-LBPRGKRZSA-N 315.319 4.588 30 20 DJED N#Cc1ccc(Nc2cccc(-c3nc(C4CCC4)no3)c2)cc1 904869468 RWUYQUZYIXAQND-UHFFFAOYSA-N 316.364 4.619 30 20 DJED CC(C)=CC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 914520547 LSTQLGZVXPWBRI-UHFFFAOYSA-N 322.383 4.505 30 20 DJED COc1ccc2cc(/C=C/C(=O)c3cccc(F)c3)ccc2c1 916134207 GIRYXOCVTNGSTO-UXBLZVDNSA-N 306.336 4.884 30 20 DJED CC[C@H](N[C@@H](C)CC(C)(C)C#N)c1nc(C(F)(F)F)cs1 925196323 ZKHGHNXSCKRZER-UWVGGRQHSA-N 319.396 4.531 30 20 DJED C[C@H](c1ccccc1)N(C(=O)c1ccc(C#N)o1)c1ccccc1 1125369978 CWRWPFUMXXBOMC-OAHLLOKOSA-N 316.360 4.559 30 20 DJED Cc1ccc(C(C)(C)CNc2snc(Cl)c2C#N)c(C)c1 1163390526 PAPFEBKPRUPKGN-UHFFFAOYSA-N 319.861 4.675 30 20 DJED CCc1nc2ccc(Nc3nc(C#N)c(Cl)s3)cc2s1 1186823065 VKROYOZQDCAYMS-UHFFFAOYSA-N 320.830 4.584 30 20 DJED Cc1cccc(C2=CCN([C@@H](C)c3ccc(C#N)cc3)CC2)c1 1192556917 JFUJXBNJVNCNEN-KRWDZBQOSA-N 302.421 4.717 30 20 DJED Cc1c(C#N)cccc1C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 1264576317 DKLJVBXYFHYQIH-SFHVURJKSA-N 324.399 4.523 30 20 DJED CC[C@@H](NC1(c2ccccc2OC)CCC1)c1ccc(C#N)cc1 1339277045 VLXVQZCPLJOEPL-LJQANCHMSA-N 320.436 4.687 30 20 DJED CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1435997665 DUBRSRMDHZNSCX-CABCVRRESA-N 322.408 4.971 30 20 DJED CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1436351702 IMFPORCQSWRLDL-CJNGLKHVSA-N 314.429 4.500 30 20 DJED CCS[C@H]1CCC[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)C1 1472716229 GYVXPFVAENLJKN-CABCVRRESA-N 317.502 4.727 30 20 DJED C[C@@H]1CN(CCC2(C#N)CCCCC2)CC[C@@H]1c1ccccc1 1473193629 QRGUOUYBXLPNDT-QUCCMNQESA-N 310.485 4.976 30 20 DJED CCC[C@@H](CC1CCCCC1)C(=O)N1CCc2ccc(C#N)cc21 1527834079 FZAPALDMRXYINW-IBGZPJMESA-N 324.468 4.834 30 20 DJED CCc1c(C)sc(NC(=O)[C@@H]2CCCC[C@H]2CC)c1C#N 1529661922 LKHAIDHLACLCFK-TZMCWYRMSA-N 304.459 4.646 30 20 DJED CCOc1ccccc1[C@H](CC)Nc1nc(C#N)c(Cl)s1 1559088996 WSGPHXBUJFZCSK-NSHDSACASA-N 321.833 4.630 30 20 DJED CCc1cccc(Cl)c1CN[C@H]1CCCc2cc(C#N)ccc21 1560509085 QOXLTVRGXVGCSO-FQEVSTJZSA-N 324.855 4.941 30 20 DJED Cc1ccc(CNc2nccc(C)c2C#N)c(OCCC(C)C)c1 1612093454 RDWYBFOTMYMUBT-UHFFFAOYSA-N 323.440 4.607 30 20 DJED Cc1c(Cl)cnc(N2CC[C@H](C(C)(C)C)C[C@@H]2C)c1C#N 1639985338 KRCUTRIQURHHND-AAEUAGOBSA-N 305.853 4.566 30 20 DJED C[C@H](COc1nc2c(cc1C#N)CCCCC2)C1CCCCC1 1656822920 GTKRGXHPOHGRAP-OAHLLOKOSA-N 312.457 4.817 30 20 DJED Cc1cc(C)c(/C=C/C=NNc2cccc(C(=O)O)c2C)c(C)c1 1776088912 QJLQJAPKQZKLEU-CPUYGRHXSA-N 322.408 4.730 30 20 DJED Cc1nc(-c2ccccc2)sc1[C@@H](C)Nc1ncccc1C#N 53584408 DOHDHTIHKYYIBS-GFCCVEGCSA-N 320.421 4.558 30 20 DJED C=CCN(C(=O)C[C@H]1C=CCC1)c1nc(-c2ccccc2)cs1 60952285 LIIGALQDTUFMHP-HNNXBMFYSA-N 324.449 4.685 30 20 DJED C[C@H](C(=O)N(CC#N)c1ccccc1)c1ccc2ccccc2c1 84534376 XKXMBLPUDUUQNA-INIZCTEOSA-N 314.388 4.500 30 20 DJED C=CC[C@H](C)NC(=O)c1ccccc1SCc1cccs1 116859948 JBNZIDNFQAZDFY-ZDUSSCGKSA-N 317.479 4.735 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCc1cc(F)cc(F)c1 187282927 RICZNOORTJBJOO-LBPRGKRZSA-N 318.392 4.971 30 20 DJED C=C(C)[C@@H](NCc1csc(C2CC2)n1)c1ccc(F)c(F)c1 187371582 GZQFQQMUVSGQOL-MRXNPFEDSA-N 320.408 4.706 30 20 DJED O=C(/C=C\c1cncs1)c1ccccc1OCc1ccccc1 255365499 VMVAPOLYKKIHAW-KHPPLWFESA-N 321.401 4.618 30 20 DJED CC(C)c1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1 264390265 RSXRMIMHUMBABQ-INIZCTEOSA-N 308.425 4.563 30 20 DJED C[C@H](NCC(C)(C)CCC#N)c1cccc(-c2ccncc2)c1 348208734 AAPMMJVHAAQQMM-INIZCTEOSA-N 307.441 4.729 30 20 DJED CC(C)(C#N)CCCCN1CCC(c2ncccc2Cl)CC1 376092788 AVEQWKNMEMPADZ-UHFFFAOYSA-N 319.880 4.634 30 20 DJED C=CCCC[C@@H](C)NC(=O)c1c[nH]cc1-c1ccc(C)s1 428021653 OIXUSELGTOLWDZ-GFCCVEGCSA-N 302.443 4.526 30 20 DJED Cc1coc(-c2cc(NCc3ccc(C#N)c(C)c3)ccc2C)n1 443996878 KRVGBWXHSGWFQI-UHFFFAOYSA-N 317.392 4.751 30 20 DJED CCOc1ccccc1[C@@H](CC(C)C)Nc1ccc(C#N)cn1 470874405 APVBVJONBDZREG-QGZVFWFLSA-N 309.413 4.551 30 20 DJED C=C(C)[C@@H](NCc1cc(F)ccc1F)c1ccc(F)c(F)c1 479411126 QNJOEJCCJMKGSU-QGZVFWFLSA-N 309.306 4.650 30 20 DJED CCC[C@H](NCc1ccc(C#N)c(C)c1)c1ccc(F)cc1F 488146722 ICNNDBPQNATGNA-IBGZPJMESA-N 314.379 4.776 30 20 DJED C=CCN(Cc1ccc(Cl)s1)Cc1cnc(CC)s1 506101124 MVHLFYUBAVSMEA-UHFFFAOYSA-N 312.891 4.609 30 20 DJED C=CCN(C(=O)CCCc1cc(Cl)sc1Cl)C1CC1 536822767 SDIPRTRWNOWKPC-UHFFFAOYSA-N 318.269 4.555 30 20 DJED N#CCC1CCN(Cc2sc3ccccc3c2Cl)CC1 543808487 QFWRWNGJLCWKHE-UHFFFAOYSA-N 304.846 4.680 30 20 DJED CC(C)(C#N)CCCN1CC[C@@](F)(c2cccc(Cl)c2)C1 548947031 VTEHSLWKWPBLAD-KRWDZBQOSA-N 308.828 4.540 30 20 DJED C[C@H](CCC(=O)N[C@](C)(C#N)C1CCCCC1)c1ccccc1 550742857 CYNKBQWESDGERV-OXQOHEQNSA-N 312.457 4.549 30 20 DJED CC(C)CN(C(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1 557780115 QCNLNGMLXFOZTK-LJQANCHMSA-N 320.436 4.763 30 20 DJED CCCCN(C(=O)c1cccc(CC#N)c1)[C@@H]1CCC[C@@H](C)C1 578930806 LZDVZBSGLNSVQH-VQIMIIECSA-N 312.457 4.574 30 20 DJED N#CC1(CSCc2ncc(-c3ccc(Cl)cc3)o2)CCC1 582350484 HDOMAUYQDNHZFJ-UHFFFAOYSA-N 318.829 4.922 30 20 DJED N#CCCCCCC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 588278106 GLWBFJFEYUJIOL-FQEVSTJZSA-N 324.399 4.505 30 20 DJED C=C(C)CN(CC)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 599487579 YAVPSAMVZJUGJO-QWHCGFSZSA-N 312.240 4.522 30 20 DJED C=CCCN(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 606896269 DUVNXMJBGSZBML-INIZCTEOSA-N 308.425 4.508 30 20 DJED N#CCCCOc1cccc(N[C@@H]2CCCc3ccc(F)cc32)c1 611468548 VXOLNHNAQFQCMP-HXUWFJFHSA-N 324.399 4.998 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1ccccc1SCC 614484480 AOEJSTUGDCIUOF-UHFFFAOYSA-N 317.479 4.689 30 20 DJED C#Cc1cccc(N(C)C(=O)c2oc3c(C)ccc(C)c3c2C)c1 728481747 UPQTXRGYJKZPFU-UHFFFAOYSA-N 317.388 4.616 30 20 DJED CCSc1ccc([C@H](C)/N=C/c2cccc(OC)c2O)cc1 728785268 BZRRBEOTVHFRSV-HCZVKUGISA-N 315.438 4.693 30 20 DJED Cc1ccc(C2=CCN([C@H](C)c3ccc(C#N)cc3)CC2)cc1 735669789 BCRYIZVATCLLLS-QGZVFWFLSA-N 302.421 4.717 30 20 DJED C=CCCCCCN(C)C(=S)Nc1ccc(F)c(Cl)c1 739455340 AKLOPPGNNUUDDX-UHFFFAOYSA-N 314.857 4.854 30 20 DJED Cc1nc(Cl)cc(NN=C2CCC(c3ccccc3)CC2)n1 741766102 OFVMVYUAWLXUFA-UHFFFAOYSA-N 314.820 4.564 30 20 DJED C[C@@H](C=NNc1ccccc1)c1cccc(Br)c1 747623876 FEDDNJVDTWOSNH-LBPRGKRZSA-N 303.203 4.651 30 20 DJED N#Cc1csc(/C=C\C(=O)c2cc(Cl)ccc2Cl)c1 748438673 BIHXDEHVJCWVEJ-RQOWECAXSA-N 308.189 4.823 30 20 DJED C[C@H](C=NNc1ccc(OC(F)F)cc1)c1ccc(F)cc1 756885128 TYQNYUKVZQKDMX-LLVKDONJSA-N 308.303 4.629 30 20 DJED O=C1/C(=C/c2csc([N+](=O)[O-])c2)CCc2c(Cl)cccc21 758039957 MPAHGMCCEGGOAY-UXBLZVDNSA-N 319.769 4.522 30 20 DJED FC(F)CON=C1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 758899146 FYTDVNBNVDJVPI-LLVKDONJSA-N 307.262 4.611 30 20 DJED COc1cc(N=Cc2cc(Cl)ccc2O)ccc1OC(C)C 767336385 DFRUMAGDSPPUHX-UHFFFAOYSA-N 319.788 4.592 30 20 DJED CC(C)c1ccccc1NCc1ccc(N(C)CCC#N)cc1 770510765 FRJGVECZSKRRCX-UHFFFAOYSA-N 307.441 4.772 30 20 DJED O=C1/C(=C\c2ccc(Cl)nc2Cl)CCc2ccccc21 779357155 CUUDRYOKRRJCNL-LUAWRHEFSA-N 304.176 4.601 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2ccc(SC(F)F)cc2)cc1 781543327 MFEQVLVXUBKORO-BJMVGYQFSA-N 315.344 4.769 30 20 DJED CCCCCCCCS(=O)(=O)[C@H](C)c1ccc(F)c(F)c1 790148326 GWFHBTNVFIWEAN-CYBMUJFWSA-N 318.429 4.801 30 20 DJED Oc1ccccc1C=Nc1ccc2nc(C(F)F)sc2c1 794676127 JQXMVMMYPUCADF-UHFFFAOYSA-N 304.321 4.690 30 20 DJED CC[C@H](CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)C(C)C 797568020 NJBSNTKUJYQFSZ-CHWSQXEVSA-N 306.475 4.689 30 20 DJED COc1cc(/C=C/C(=O)c2cc3ccccc3s2)ccc1C#N 799498770 NHFHDUPGCNOABM-VQHVLOKHSA-N 319.385 4.678 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)n1 842315465 GOULYHQSEAGBTJ-KHYOSLBOSA-N 324.449 4.637 30 20 DJED CC(C)Oc1ccccc1C=NOCc1cccc(Cl)c1 852285084 ZOCNOIMFGQHUSF-UHFFFAOYSA-N 303.789 4.678 30 20 DJED C/C(=C/C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1)C1CC1 916976687 DMOHUEKHQCNWGX-OVHOFWQVSA-N 322.433 4.651 30 20 DJED C[C@H](S[C@H](C#N)C1CC1)c1ccc(OC(F)(F)F)cc1 1188683702 IIEBEIPCRQWOIP-TVQRCGJNSA-N 301.333 4.682 30 20 DJED CC(C)(CCC#N)CNc1cc2c(cc1Br)CCC2 1308383930 ATEOGAKIVZQTSM-UHFFFAOYSA-N 321.262 4.680 30 20 DJED CCCC[C@H](C(=O)N(CCC)Cc1ccc(C#N)cc1)C(C)C 1358460451 SUGKQSGYHDESRU-IBGZPJMESA-N 314.473 4.759 30 20 DJED N#Cc1ccc(Br)c(OCc2ccccc2Cl)c1 1473073186 IHTOLCVIKGBHTJ-UHFFFAOYSA-N 322.589 4.553 30 20 DJED CCSc1ccc(CNC2CC(C#N)(c3ccccc3)C2)cc1 1474684868 PIHRSOAKFGPNTC-UHFFFAOYSA-N 322.477 4.512 30 20 DJED CC(C)[C@@H](CCc1ccccc1)C(=O)Nc1cccc(CC#N)c1 1525933909 MRGRDWHKHMECFJ-HXUWFJFHSA-N 320.436 4.596 30 20 DJED CC[C@H](C)[C@@H](C)NC(=O)c1ccccc1Oc1ccccc1C#N 1530089243 ZLPHXBXSAQBDFN-LSDHHAIUSA-N 322.408 4.515 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1ccc(-c2ccccc2)cc1 1534738438 QBPYZQXROOHLPF-UHFFFAOYSA-N 312.372 4.786 30 20 DJED CCC[C@H](CC1CCCCC1)C(=O)N1CCc2c(C#N)cccc21 1536856078 GJDFFDDLHIAIQO-QGZVFWFLSA-N 324.468 4.834 30 20 DJED CCCN(CC[C@@H](C)c1ccccc1)Cc1ccc(C#N)cc1 1621181112 MXZFPGAKOFTULI-GOSISDBHSA-N 306.453 4.964 30 20 DJED C[C@H](CC(C)(C)C#N)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 1621386908 QJDNHGXTOIREQU-UKPHBRMFSA-N 304.865 4.894 30 20 DJED N#CC1(CSc2nc(-c3ccccc3)cs2)CCCC1 1651632416 MXZBFRVAPIROGL-UHFFFAOYSA-N 300.452 4.986 30 20 DJED C[C@@H]1CSc2ccccc2N1Cc1ccccc1C(C)(C)C#N 1652776433 AIBSVBMIPYMUDG-OAHLLOKOSA-N 322.477 4.989 30 20 DJED CC(C)CN(CC(C)(C)C)c1ccc(C#N)c(Br)c1 1655308433 HHDVYNQQZHNNMW-UHFFFAOYSA-N 323.278 4.829 30 20 DJED CCc1ccc(C2CCN(Cc3ccc(C#N)cc3C)CC2)cc1 1659663856 PAVWQPDLMKPTJY-UHFFFAOYSA-N 318.464 4.809 30 20 DJED N#CCSCCCN1CCC[C@H]1c1cccc2ccccc12 74989093 VAOFPRYWVFDTQS-IBGZPJMESA-N 310.466 4.624 30 20 DJED C[C@H](Nc1ccc(OCC(F)(F)F)cc1)c1ccc(C#N)cc1 78972650 WBGZATZFJYKNQL-LBPRGKRZSA-N 320.314 4.672 30 20 DJED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 124884425 HCFCPNLUTGJHHA-QWHCGFSZSA-N 318.342 4.989 30 20 DJED C=C[C@@H](CC(=O)N(Cc1cccs1)C1CC1)c1ccccc1 130037356 MYLIAPQHDMSWRK-HNNXBMFYSA-N 311.450 4.599 30 20 DJED C=C[C@@H](CC(=O)Nc1cccc(-c2ncco2)c1)c1ccccc1 179551104 LGELPVNEFBQSRP-HNNXBMFYSA-N 318.376 4.640 30 20 DJED C[C@H](N[C@@H]1CCSc2ccc(F)cc21)c1ccc(C#N)cc1 192737821 BMZPTLYEXXSECS-YVEFUNNKSA-N 312.413 4.585 30 20 DJED C[C@H](Nc1ccc(CC#N)cc1)c1ccc(OC(F)(F)F)cc1 192790526 ULTAVHJZKKMSHS-LBPRGKRZSA-N 320.314 4.824 30 20 DJED C[C@@H](NCc1ccccc1C(C)(C)C#N)c1c(F)cccc1F 271634051 BSMQPFJSPHNMDT-CYBMUJFWSA-N 314.379 4.617 30 20 DJED COc1cc(C(C)=O)ccc1SCCCCC(C)(C)C#N 277543851 IOACLXHNXLFWQD-UHFFFAOYSA-N 305.443 4.710 30 20 DJED C[C@@H](NCCCCC(C)(C)C#N)c1ncc(-c2ccccc2)o1 278940745 YBBKWRPGAKTCKV-OAHLLOKOSA-N 311.429 4.712 30 20 DJED C=CC[C@@H](CC)NC(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C 281339164 LTZZGUSEOSLRTO-UONOGXRCSA-N 323.506 4.632 30 20 DJED C[C@H](/N=C(/O)CCC1CCOCC1)c1ccc2ncsc2c1 330132345 LJOUPTARKWJWST-LBPRGKRZSA-N 318.442 4.521 30 20 DJED CC(C)[C@@H](NCC1(CC#N)CC1)c1cccc(C(F)(F)F)c1 430733228 DWOMORSSIDAJQG-OAHLLOKOSA-N 310.363 4.686 30 20 DJED N#CCCCCN[C@@H]1CCCCc2ccc(Br)cc21 453105093 GRYGUHZQBCLQOL-MRXNPFEDSA-N 321.262 4.500 30 20 DJED CC[C@@H]1CCCCCN1C(=O)Nc1ccc(CC#N)cc1Cl 455704737 NYBOWGWTEAAPOQ-CQSZACIVSA-N 319.836 4.593 30 20 DJED CC1CCC(N(C(=O)c2ccc(C(C)(C)C#N)cc2)C2CC2)CC1 475322273 OMYCKGOEZQPUQO-UHFFFAOYSA-N 324.468 4.671 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCCC1(C)C 475410204 LJHWVWQDRBSSJU-ZIAGYGMSSA-N 316.470 4.703 30 20 DJED C=CCSc1ccccc1C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 485465666 NEWJEIGQHOYEBW-ARFHVFGLSA-N 315.482 4.663 30 20 DJED C[C@H](NCc1ccc(Oc2ccccc2)o1)c1ccc(C#N)cc1 503568238 GNMAGYOOYIGUHF-HNNXBMFYSA-N 318.376 4.794 30 20 DJED COc1ccc(-c2ccc(C)c(NCCCC(C)(C)C#N)c2)cn1 509491912 CSBHKLWPOLYZRZ-UHFFFAOYSA-N 323.440 4.808 30 20 DJED CCN(C(=O)c1ccc(C(C)C)cc1)[C@H](C)c1ccc(C#N)cc1 509594101 USPUMGGWNLUICS-MRXNPFEDSA-N 320.436 4.905 30 20 DJED C=CCN(Cc1ccccc1F)Cc1cccc2cccnc12 517624342 JGZWEPSMNMJSBY-UHFFFAOYSA-N 306.384 4.562 30 20 DJED CCN(C(=O)[C@H](C)CCC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 541603912 FCNYHFZQWAMZRC-HZPDHXFCSA-N 314.473 4.930 30 20 DJED C=CCC(C)(C)c1noc([C@H]2C[C@H]2c2cccc(Cl)c2)n1 551140907 VYYDXHICVBKPRR-KBPBESRZSA-N 302.805 4.848 30 20 DJED C=CCC[C@H](NCc1ccccc1Br)c1ccco1 552246312 QGJMCHRWCCAGOZ-HNNXBMFYSA-N 320.230 4.839 30 20 DJED C[C@@H](NCC(C)(C)CCC#N)[C@@H](C)c1nc2ccccc2s1 562047539 LAHHBJGFSWWJLX-ZIAGYGMSSA-N 315.486 4.708 30 20 DJED C=C(C)CCc1noc([C@@H](F)c2ccc(C(F)(F)F)cc2)n1 566036241 YQHDOTQFNJEQBU-ZDUSSCGKSA-N 314.282 4.656 30 20 DJED CC(C)(C)c1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 566649805 OBZVAAOXTWXHCQ-FQEVSTJZSA-N 304.437 4.633 30 20 DJED CC(/C=C\c1ccncc1C#N)=C\c1ccccc1OC(F)F 582035357 YUXXAHJROISDOW-MZAZUOCOSA-N 312.319 4.671 30 20 DJED CC(C)N(C(=O)CCCCCC#N)c1ccc(F)cc1Cl 588907579 QMDCKUFJSLWICM-UHFFFAOYSA-N 310.800 4.695 30 20 DJED N#Cc1ccc(CN2CCC[C@@H]2c2cccc(Cl)c2)c(F)c1 603855456 STLNVYPKZMHFEL-GOSISDBHSA-N 314.791 4.688 30 20 DJED CCCCc1ccc(C(=O)Nc2cc(C#N)ccc2OCC)cc1 604359274 UARSIAPLPGFSLZ-UHFFFAOYSA-N 322.408 4.552 30 20 DJED C=CCN(Cc1ccccc1)Cc1ncc(-c2ccc(F)cc2)o1 642099222 BFJIRCSPDGDLQK-UHFFFAOYSA-N 322.383 4.669 30 20 DJED Cc1cc(Cl)ccc1C(=O)[C@H](C#N)c1ccc2ccccc2n1 675907064 LOVMYYFPMYZYDD-MRXNPFEDSA-N 320.779 4.687 30 20 DJED CCC(C)(C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 726858890 XSRMIZLYQLAVPN-SNVBAGLBSA-N 306.818 4.562 30 20 DJED O=C(/C=C/c1ccc(OCC(F)F)cc1)c1ccc(F)cc1F 741851904 HNNIKSZRJGKFCM-FPYGCLRLSA-N 324.273 4.505 30 20 DJED CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2cccc(C)c2)c1 743475999 APQISZUXAOLPMV-QFBILLFUSA-N 308.425 4.527 30 20 DJED N#Cc1c(Cl)nsc1NCc1c(Cl)cccc1Cl 746085516 MCFGGJCLYNVPQN-UHFFFAOYSA-N 318.616 4.587 30 20 DJED CCCCCCCC(=O)O[C@@H](C)c1nc2ccccc2n1C 746438399 PJQFZVHHHWKDDQ-AWEZNQCLSA-N 302.418 4.538 30 20 DJED CC(=NNc1cccc2c1CCCC2)c1c(C)nn(C(C)C)c1C 746489493 ANOYIZRZCPNNRH-UHFFFAOYSA-N 324.472 4.796 30 20 DJED O=C(/C=C/c1cnc2ccc(Cl)cn12)c1coc2ccccc12 747706682 YGGPFVATDNRUIR-VOTSOKGWSA-N 322.751 4.630 30 20 DJED C=CCCC(=NNc1ncnc2c1oc1ccccc12)C1CC1 747755098 KWYGOOIPFZMPSV-UHFFFAOYSA-N 306.369 4.520 30 20 DJED C#CCN(C(=O)Nc1ccccc1C(F)(F)F)C1CCCCC1 748820041 ZAGTUBOOJLRWNX-UHFFFAOYSA-N 324.346 4.505 30 20 DJED CC(C)c1ncc(/C=C2/Cc3cc(Cl)ccc3C2=O)s1 758433317 HZXNCDITLQJOHK-XFFZJAGNSA-N 303.814 4.742 30 20 DJED O=C(/C=C/c1cc2ccccc2s1)c1ccc2c(c1)COC2 758434807 VGMUGALQCIOJCD-BQYQJAHWSA-N 306.386 4.828 30 20 DJED C#CC[C@@H](NCc1c(Cl)oc2ccccc12)c1ccccc1 761312027 YQAMTXZMXQBVBC-QGZVFWFLSA-N 309.796 4.940 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3F)o2)s1 762447069 NAAKHSOKKZAWII-VMPITWQZSA-N 323.348 4.915 30 20 DJED C#CC[C@H](N[C@@H](C)c1ccc2ccccc2n1)c1ccccc1 773113846 FUWILDSJQJJKPQ-JXFKEZNVSA-N 300.405 4.650 30 20 DJED Clc1cnc(NN=Cc2sccc2Cl)c(Cl)c1 782152418 PSFONNJWFFVZIM-UHFFFAOYSA-N 306.605 4.549 30 20 DJED C#CCC1(C(=O)Nc2cc(SC)ccc2C)CCCCC1 788464308 WVOGSOXAPXVKAV-UHFFFAOYSA-N 301.455 4.629 30 20 DJED C#CCCCS[C@@H](C)C(=O)Nc1ccccc1[C@H](C)CC 808363546 KOJJLPVZHSZHBI-CABCVRRESA-N 303.471 4.674 30 20 DJED CCCCCCCCC(=O)Nc1cccc2c(O)nccc12 836904222 UQGMMKDGXDGQBO-UHFFFAOYSA-N 300.402 4.630 30 20 DJED Cc1ccccc1CNc1ccccc1NC(=O)C#CC(C)(C)C 837517381 OFDKPYXIWBFJSD-UHFFFAOYSA-N 320.436 4.595 30 20 DJED CCCCCCCCCC(=O)N1CCO[C@H](c2ccccc2)C1 900945796 PPHRMOHGEXVQRO-IBGZPJMESA-N 317.473 4.727 30 20 DJED N#Cc1ccc(-c2ccc(OC(=O)c3ccc(Cl)o3)cc2)cc1 919334860 FIQAKNASGQTZOW-UHFFFAOYSA-N 323.735 4.691 30 20 DJED C[C@H]1CCc2c(sc(NC(=O)C=C3CCCCC3)c2C#N)C1 919978057 VEHWFJVZODVIPW-LBPRGKRZSA-N 314.454 4.574 30 20 DJED CC(C)COC(=O)Nc1cccc(N[C@@H](C)CC(C)(C)C#N)c1 925776600 YFYJVUYRWCXVQW-AWEZNQCLSA-N 317.433 4.631 30 20 DJED Cc1nc(N[C@@H]2CCC[C@H]2CCC(C)C)c(Cl)cc1C#N 1162413458 NADBKOQEMVPAJN-XJKSGUPXSA-N 305.853 4.932 30 20 DJED C[C@@H](Cc1ccccc1C(F)(F)F)Nc1cccc(F)c1C#N 1185913948 FZXASJRLQSKDAS-NSHDSACASA-N 322.305 4.759 30 20 DJED C[C@H]1C[C@H](c2ccccc2)C[C@H](NCc2ccc(C#N)cc2F)C1 1202797660 NLOXWSXKNBAFDU-RYGJVYDSSA-N 322.427 4.759 30 20 DJED CCN(Cc1c(F)cc(C)cc1F)[C@@H](C)c1ccc(C#N)cc1 1204762530 DYRIVDNYPKBHGP-AWEZNQCLSA-N 314.379 4.728 30 20 DJED N#CC1(CN[C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CCC1 1206328997 RGEJPUQUYHSKAU-RDJZCZTQSA-N 302.849 4.650 30 20 DJED O=C1/C(=C\c2ncc(-c3ccccc3)[nH]2)Cc2c(Cl)cccc21 1320993329 GXYQRJSFRKZOEJ-RAXLEYEMSA-N 320.779 4.553 30 20 DJED CCc1ccc([C@H](N[C@H]2CC[C@H](C#N)C2)c2cccc(F)c2)cc1 1325159853 SUIKOCLCKQZMME-NDXORKPFSA-N 322.427 4.759 30 20 DJED CC(C)[C@@H](CCc1ccccc1)C(=O)Nc1ccc(F)c(C#N)c1 1352456395 SWJKDGZQCDOBRH-GOSISDBHSA-N 324.399 4.541 30 20 DJED COc1ccc(C#N)cc1NCc1cccc(OC2CCCC2)c1 1461565513 RNGLABZHGWXPLE-UHFFFAOYSA-N 322.408 4.500 30 20 DJED Cc1nc(N2CCc3c(-c4ccccc4)cccc32)ccc1C#N 1472752724 NNICKXJGLMDSLL-UHFFFAOYSA-N 311.388 4.623 30 20 DJED C[C@@H](Sc1ccnc(C#N)c1)c1cccc(Br)c1 1472795251 UXCWIMFYARSMDM-SNVBAGLBSA-N 319.227 4.569 30 20 DJED CC(C)N(Cc1ccccc1F)Cc1ccc(Cl)cc1C#N 1473129500 GOSWCJQIZQAYMV-UHFFFAOYSA-N 316.807 4.761 30 20 DJED CC(C)CCC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1521689669 PRLUOEORQNMBSD-MRXNPFEDSA-N 320.436 4.839 30 20 DJED C[C@@H](OC(=O)c1ccccc1C(C)(C)C)c1cccc(C#N)c1 1525572152 PHNXCLDWZFBANC-CQSZACIVSA-N 307.393 4.774 30 20 DJED C[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)[C@H](C)c1ccccc1 1559123821 PKBZOMFPFOIIKJ-LSDHHAIUSA-N 307.441 4.855 30 20 DJED N#Cc1ccnc(SCc2c(Cl)oc3ccccc23)c1 1559359540 JHVQZSFIYVEHBP-UHFFFAOYSA-N 300.770 4.645 30 20 DJED CC(C)c1ccc([C@@H](C)CC(=O)Nc2cc(C#N)ccc2F)cc1 1584674031 BHIXLMHZKXRKKD-AWEZNQCLSA-N 324.399 4.953 30 20 DJED C[C@@H](Sc1nc2ncc(Cl)cc2o1)c1cccc(C#N)c1 1641441335 QKANPXTZFDEZAF-SECBINFHSA-N 315.785 4.601 30 20 DJED CCCN(CCCc1ccccc1C)Cc1ccc(C#N)cc1 1641515385 HMRHFHRNAKRHJU-UHFFFAOYSA-N 306.453 4.712 30 20 DJED C=C(Cl)CN(Cc1ccc(OC)c(OC)c1)C1CCCCC1 1644969243 ORGKUYCQXOFVBS-UHFFFAOYSA-N 323.864 4.591 30 20 DJED CCCCc1ccc(NC(=O)N(CCC#N)CCC(C)C)cc1 1665007890 GXVDMJOHLXHXGM-UHFFFAOYSA-N 315.461 4.823 30 20 DJED Cc1ccccc1C(=O)Nc1ccccc1S[C@H](C)CC#N 66800865 SNHLBODXHZCZIK-CQSZACIVSA-N 310.422 4.642 30 20 DJED C[C@@H]1C[C@@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 76392599 KYTQQKCJELFLQO-DQYPLSBCSA-N 324.811 4.590 30 20 DJED C[C@@H](C#N)Oc1ccc(CN[C@H](c2ccccc2)C2CCC2)cc1 105430591 DZGUJJGTCONCEI-HRAATJIYSA-N 320.436 4.608 30 20 DJED C[C@@H](N[C@H]1CCc2sc(Cl)cc21)c1ccc(C#N)cc1 123279228 XLEJQNCYCIATFT-YGRLFVJLSA-N 302.830 4.611 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2ccc(Cl)c(C)c2)cc1 126147555 DATJMHCZPZJGHU-UHFFFAOYSA-N 312.800 4.517 30 20 DJED CC[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccccc1OC 181575637 AFOHHTTZPFFHJA-RTBURBONSA-N 308.425 4.781 30 20 DJED Cc1ccccc1NC(=O)[C@H](C)S[C@@H](C)c1cccc(C#N)c1 190888960 HZWIHKXJBIOSBS-GJZGRUSLSA-N 324.449 4.688 30 20 DJED CC(C)Oc1ccccc1/C=C\C(=O)c1ccc(F)cc1F 206083779 QWIQBHLXYBBENT-YFHOEESVSA-N 302.320 4.648 30 20 DJED N#CCCCCNCc1ccc(-c2ccccc2Cl)s1 237655741 BGGDUHLJFMYHBI-UHFFFAOYSA-N 304.846 4.852 30 20 DJED CC(C)(C#N)c1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1 280130444 DHXVJIXVEYXZMC-MRXNPFEDSA-N 324.449 4.527 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(CF)CC1 297679478 GAYRXQIOMLLNKI-UHFFFAOYSA-N 318.436 4.752 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1c1nc2ccccc2s1 301456246 SCXOTLAFNLGQFD-WBVHZDCISA-N 319.433 4.572 30 20 DJED Cc1nc(CC/N=C(/O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)c(C)o1 329017058 KOPFODXYWWCMCX-DOMZBBRYSA-N 306.450 4.643 30 20 DJED CSCC1CCC(Nc2cccc(OCCCC#N)c2)CC1 385545402 MIQAHAYFWFWMQG-UHFFFAOYSA-N 318.486 4.703 30 20 DJED C=CCC(C)(C)CN[C@@H](Cc1ccncc1)c1cccs1 424328667 AOQSVSMPWNDKRD-INIZCTEOSA-N 300.471 4.619 30 20 DJED C=CCC(C)(C)CNC(=O)N(C)[C@H](C)c1cc2ccccc2o1 432574289 ODWFTDIRWFYVBH-CQSZACIVSA-N 314.429 4.738 30 20 DJED C[C@@H](CCC(C)(C)C)NC(=O)N[C@H](CCC#N)c1ccccc1 438861262 SSGQVWXSSRXCKY-DOTOQJQBSA-N 315.461 4.545 30 20 DJED C=CCC1(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)CCCC1 450074530 NREIIFJSRAIUPS-KBPBESRZSA-N 317.395 4.608 30 20 DJED C=C(C)CN1CCC(N[C@@H](C)c2cccc3ccccc23)CC1 482630431 QDCYIHRMCVZWPU-KRWDZBQOSA-N 308.469 4.531 30 20 DJED C=C(C)CCN[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C 508976369 IWQFMKDHPFJTOQ-CYBMUJFWSA-N 316.470 4.744 30 20 DJED N#CC1(CN2CCC(=Cc3cc(Cl)ccc3Cl)CC2)CC1 538349088 MRKQPVZPNZAKEZ-UHFFFAOYSA-N 321.251 4.776 30 20 DJED Cc1csc(NC(=O)C[C@H]2C[C@H](C)c3c(C)cccc32)c1C#N 580006752 LKTPPBQHICSROF-GXTWGEPZSA-N 324.449 4.856 30 20 DJED N#CCCCCCC(=O)N[C@H](Cc1ccccc1)c1ccccc1 588273896 GAQZHVMNIMSVDQ-HXUWFJFHSA-N 320.436 4.561 30 20 DJED C[C@H](N[C@H](C)c1nccc2ccccc12)c1cccc(C#N)c1 589340563 JMYVGMZJHGMLQX-LSDHHAIUSA-N 301.393 4.518 30 20 DJED C=CCCCCCN(C)C(=O)N[C@H](C)c1cc(C)cc(C)c1 606921425 BOJRKVNMHOFBGA-QGZVFWFLSA-N 302.462 4.752 30 20 DJED Cc1cc(C)c(CNc2nc(C(F)(F)F)ccc2C#N)c(C)c1 609669838 SPXNYMHCJGEIKA-UHFFFAOYSA-N 319.330 4.509 30 20 DJED Cc1ccc2c(c1)[C@H](N[C@H]1CCc3cc(C#N)ccc31)CCC2 618807421 ULIYPZRBPSTDIH-RTWAWAEBSA-N 302.421 4.521 30 20 DJED C=CCC[C@@H](NCc1ccnc(Oc2ccccc2)c1)C1CC1 676637436 NCWYISLXQUONKF-LJQANCHMSA-N 308.425 4.708 30 20 DJED C#Cc1cccc(N(CC)C(=O)c2ccc(SC(C)C)cc2)c1 728479163 MARFFUJJWMHAKP-UHFFFAOYSA-N 323.461 4.835 30 20 DJED C=CC[C@@H](NC(=O)N[C@@H](CCC)c1ccccc1)c1ccncc1 734653806 KNBAXMBJDVVMTK-RBUKOAKNSA-N 323.440 4.539 30 20 DJED O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1Cl 734982174 YMJQSEPEDWYMAN-BQYQJAHWSA-N 322.147 4.798 30 20 DJED C=C(Cl)CNC(=O)N(CCC)[C@H](C)c1cc2ccccc2o1 736400535 WXKIXSPKCNYZML-CYBMUJFWSA-N 320.820 4.668 30 20 DJED Fc1ccc(F)c(C=NOCc2ccc(C(F)(F)F)cc2)c1 746577724 YHKRNSQLAGWMJO-UHFFFAOYSA-N 315.241 4.534 30 20 DJED C=CCCCC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 748519548 FBBIZCKEHXIJBT-UHFFFAOYSA-N 322.408 4.542 30 20 DJED Cc1csc([C@H](C)C/N=C\c2c(O)ccc3ccccc23)n1 753996443 UMGQZVBUFJSHFI-FGHSJCFPSA-N 310.422 4.533 30 20 DJED C#CC[C@@H](NCc1cc(C(F)(F)F)ccc1F)c1ccccc1 756996650 QTDSHSGMFLOUDV-QGZVFWFLSA-N 321.317 4.699 30 20 DJED C=CC[C@@H](N[C@@H](C)c1ccc(F)c(Cl)c1)c1ccncc1 766018152 GEHWGINVWOSSSE-YVEFUNNKSA-N 304.796 4.842 30 20 DJED C#CC[C@H](N[C@@H](C)c1sc(C(C)C)nc1C)c1ccccc1 773115170 MTDWDQRNWQMQSU-YOEHRIQHSA-N 312.482 4.990 30 20 DJED COc1cccc2cc(/C=C\C(=O)c3cccc(F)c3F)oc12 776268055 KRIJGWKPGUPAAT-HJWRWDBZSA-N 314.287 4.616 30 20 DJED Clc1cc(Cl)c(NN=CCC2CCOCC2)c(Cl)c1 788698823 LPHCAOIICOSJLI-UHFFFAOYSA-N 321.635 4.861 30 20 DJED Clc1cccc(CNN=Cc2ccccc2C2CC2)c1Cl 790181445 QGCPGJURTDBFND-UHFFFAOYSA-N 319.235 4.995 30 20 DJED O=C(/C=C\c1cc(F)c(F)cc1F)c1nccc2ccccc12 811699819 XKMZXUKOHPXTJO-WAYWQWQTSA-N 313.278 4.548 30 20 DJED CCCCCCCCC(=O)NCCc1nc2ccccc2s1 826644629 DIYIQVNUJTXLHH-UHFFFAOYSA-N 318.486 4.706 30 20 DJED Clc1ccc(C=NOCc2cccc(Br)c2)cc1 836692419 WGFUHXPMOZDIAX-UHFFFAOYSA-N 324.605 4.653 30 20 DJED CCOc1ccc(C(CC)=NNc2ccccc2)cc1OCC 920827278 WFXHIOQFHHEPNL-UHFFFAOYSA-N 312.413 4.710 30 20 DJED COc1c(Cl)cc(Cl)cc1/C=C/C(=O)c1cccc(O)c1 921261554 LWUSYOLUQBDNSU-AATRIKPKSA-N 323.175 4.604 30 20 DJED C[C@H]1CCCc2ccccc2[C@@H]1Nc1ccc(Cl)c(C#N)n1 1163006762 XNHSAGLXLXUKQX-KPZWWZAWSA-N 311.816 4.732 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1ccc(Cl)cc1F 1189560565 MAJYHKNMTSWEFL-UHFFFAOYSA-N 310.155 4.892 30 20 DJED CC[C@H](NCc1cc2cccc(OC)c2o1)c1cccc(C#N)c1 1331984601 QJBQRMTZPKGQLD-SFHVURJKSA-N 320.392 4.554 30 20 DJED Cc1cc(N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)ncc1C#N 1458442840 YKBVITRYWSUUSO-YOEHRIQHSA-N 311.816 4.663 30 20 DJED C/C(=C\c1ccccc1)CN(C)Cc1ccc(Cl)cc1C#N 1459942222 ZEPBHICCMIDVPG-XNTDXEJSSA-N 310.828 4.747 30 20 DJED CC1(C)CCc2ccccc2[C@@H](NCc2cccc(C#N)c2)C1 1460006654 PQPCGZSZBQPCNI-FQEVSTJZSA-N 304.437 4.752 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCC[C@H]1/C=C\c1ccccc1 1460870407 GWJDVWVNLMPECL-WUQYLLKWSA-N 322.839 4.889 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(C(F)(F)F)s1 1462362270 DOARHWWQZKGEGJ-LLVKDONJSA-N 324.371 4.832 30 20 DJED C[C@@H]1C[C@H](CCNc2snc(Cl)c2C#N)CC(C)(C)C1 1472773454 WBZJCGQHLJDCNA-MNOVXSKESA-N 311.882 4.933 30 20 DJED Cc1ccc(C(=O)Nc2cc3ccccc3cc2C#N)c(Cl)c1 1583717723 TXYTYDAGCOKTTM-UHFFFAOYSA-N 320.779 4.926 30 20 DJED CCCC[C@@H](CC)CCCN(C)C(=O)c1ccccc1CC#N 1629793585 MDBUYWDTZFJIHH-QGZVFWFLSA-N 314.473 4.821 30 20 DJED Cc1nsc(NCc2ccc(C3CCCCC3)cc2)c1C#N 1639953092 LXGZINSOPNNSNM-UHFFFAOYSA-N 311.454 4.983 30 20 DJED N#Cc1ccccc1OCc1cc(Cl)ccc1OCC1CC1 1640720247 COXINYBLZUDTEH-UHFFFAOYSA-N 313.784 4.579 30 20 DJED N#Cc1ccccc1SCCn1ccc2cc(Cl)ccc21 1652665024 VLKAONKBVMFDKD-UHFFFAOYSA-N 312.825 4.959 30 20 DJED C[C@@H](Cc1ccccc1Cl)NCc1ccc(C#N)c(Cl)c1 1658981094 SCSJESCBYUKPPP-LBPRGKRZSA-N 319.235 4.586 30 20 DJED C[C@H]1CCC[C@H](NC(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1670294219 JWTVOTPTQOVUBS-RYUDHWBXSA-N 319.474 4.617 30 20 DJED CCc1c(C)sc(NC(=O)CCC2CCCCC2)c1C#N 6122842 YTCUQQVUDNKUBJ-UHFFFAOYSA-N 304.459 4.790 30 20 DJED Cc1nnc(Oc2ccc3oc4ccccc4c3c2)c(C#N)c1C 24052896 HVNDFLYUBAOFDD-UHFFFAOYSA-N 315.332 4.657 30 20 DJED C=CCn1c(SC2CCCC2)nnc1-c1ccc(Cl)cc1 59794982 IHRCBBYHRZWWIM-UHFFFAOYSA-N 319.861 4.819 30 20 DJED CCc1c(C)sc(NC(=O)c2cc(Cl)ccc2F)c1C#N 68677752 SQFLGDVVKTZXGD-UHFFFAOYSA-N 322.792 4.535 30 20 DJED C=CCSCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 71530584 TYJGUDAEZYJHOL-UHFFFAOYSA-N 310.633 4.505 30 20 DJED Cc1ncsc1/C=C/C(=O)c1ccc(SC(C)C)cc1 78694266 JNELPIACRDMMMG-CMDGGOBGSA-N 303.452 4.848 30 20 DJED N#CCCCCSc1nnc(-c2ccc3ccccc3c2)o1 122449452 AQXONMYPYPQMRA-UHFFFAOYSA-N 309.394 4.676 30 20 DJED C=C(C)CN(C)C(=O)Nc1cccc(COC2CCCCC2)c1 181655040 NVXXNBDIDNMFQC-UHFFFAOYSA-N 316.445 4.576 30 20 DJED C=CCC[C@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 182043344 WLDSWQIAAOCIDB-UTKZUKDTSA-N 320.436 4.947 30 20 DJED C=CC[C@H](C(=O)N(CC=C)Cc1cccs1)c1ccccc1 193045306 FECHNXMPWGFOQW-SFHVURJKSA-N 311.450 4.623 30 20 DJED CC(C)c1cc(C(=O)Nc2sccc2C#N)c2ccccc2n1 194939663 MDLDNWAHVNYOQO-UHFFFAOYSA-N 321.405 4.544 30 20 DJED COc1cccc(/C=C2/CCc3[nH]c4ccc(F)cc4c3C2=O)c1 210287819 NEFFMEQNVJBHPU-LCYFTJDESA-N 321.351 4.528 30 20 DJED Cc1cc(F)c(Br)cc1NCC(C)(C)CCC#N 235858090 GBJNCYNAZCELIH-UHFFFAOYSA-N 313.214 4.639 30 20 DJED CC(C)(C#N)CCC[S@@](=O)Cc1cccc(Cl)c1Cl 278089388 OUOACSPLYUYFKY-LJQANCHMSA-N 318.269 4.572 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@H]2CC(C)(C)c3ccccc32)c1 302154716 VNVSQESIFMSKBO-IBGZPJMESA-N 304.393 4.595 30 20 DJED CC1(C)CCC(CC(O)=Nc2ccc(-c3cncnc3)cn2)CC1 328822975 PIENVBSLCIJPQR-UHFFFAOYSA-N 324.428 4.733 30 20 DJED OC1=N[C@H](C/C(O)=N/[C@@H](c2ccc(Cl)cc2)C2CC2)CCC1 329483707 WPGWICYAAHKZIQ-WMLDXEAASA-N 320.820 4.647 30 20 DJED CC1(C(=O)Nc2ccc(CC#N)cc2Cl)CCCCCC1 411019747 UJQSBOVXLGDBAQ-UHFFFAOYSA-N 304.821 4.705 30 20 DJED C=CCOc1ccc(CN[C@H](CC(F)F)c2ccccc2)cc1 421367269 DJJJSHQXMXCDEM-GOSISDBHSA-N 317.379 4.738 30 20 DJED CN(CCSCCCCC(C)(C)C#N)Cc1ccccc1 433019882 QEZYCCJRZWBEOC-UHFFFAOYSA-N 304.503 4.572 30 20 DJED CC[C@@H](F)CN[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 440493425 WQSZZSWLNPOFKU-GHMZBOCLSA-N 317.248 4.647 30 20 DJED C=CCCC(=O)N[C@H](CCC=C)c1ccc(C(F)(F)F)cc1 441570677 URPQMXIILGSLQM-OAHLLOKOSA-N 311.347 4.795 30 20 DJED CC[C@@H](NCCc1ccc(Cl)s1)c1ccc(C#N)cc1 447537481 WFJKENGFSMJENV-OAHLLOKOSA-N 304.846 4.557 30 20 DJED C=CC[C@@H](CC)NC(=O)N1CCCCC[C@@H]1c1ccc(C)o1 466385864 KWSHFDHZEZGBIU-HZPDHXFCSA-N 304.434 4.569 30 20 DJED C=CCOc1cccc(CNCc2c(C)oc3ccccc23)c1 466469835 XJSRDYYYJSMMNH-UHFFFAOYSA-N 307.393 4.596 30 20 DJED Cc1ccc([C@@H](C)N(C)C(=O)C[C@@H](CC#N)c2ccccc2)cc1 474714783 YDOAMBBEYXGZCA-YLJYHZDGSA-N 320.436 4.602 30 20 DJED Cc1ccccc1N(C(=O)C[C@H](CC#N)c1ccccc1)C(C)C 483479207 VMOGRMWFKMJKNP-IBGZPJMESA-N 320.436 4.824 30 20 DJED C=CCSc1ccccc1C(=O)Nc1ccc(Cl)cc1O 485519742 XJMYLXULGUPDAN-UHFFFAOYSA-N 319.813 4.576 30 20 DJED CC(C)CCN(CCC#N)C(=O)C[C@H](c1ccccc1)C(C)C 505175239 UQGLBXSJEOFZSG-IBGZPJMESA-N 314.473 4.605 30 20 DJED CCc1cccc2c(C3CCN(CCC(C)(C)C#N)CC3)c[nH]c12 539588810 UDELFGAWLOLBQG-UHFFFAOYSA-N 323.484 4.850 30 20 DJED C=CCOc1cccc(NC(=O)c2ccc(C)c(C)c2Cl)c1 543073347 YWMLAVZPNSBXGV-UHFFFAOYSA-N 315.800 4.774 30 20 DJED N#CCC1CCN(Cc2ccc(Sc3ccccc3)cc2)CC1 543781172 NZRYVVNDTUCFJR-UHFFFAOYSA-N 322.477 4.963 30 20 DJED C[C@@H](NCC1CCC(C(F)(F)F)CC1)c1ccc(C#N)cc1 546632852 GCFWSURYUBVHQQ-XEBKBJJBSA-N 310.363 4.578 30 20 DJED CC(C)(CCC#N)CNCc1ccc(-c2c(F)cccc2F)o1 569029154 AIEVDJQVOVXTKG-UHFFFAOYSA-N 318.367 4.644 30 20 DJED C[C@H](N[C@@H]1CCc2sc(Cl)cc21)c1cccc(C#N)c1 569630220 WFNPYEJSOJSHPS-IINYFYTJSA-N 302.830 4.611 30 20 DJED Cc1ccc(N[C@@H]2CCc3ccc(C#N)cc32)cc1-c1ncco1 578178997 APJZEZVPLWZQCV-LJQANCHMSA-N 315.376 4.621 30 20 DJED CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)NCC1(C#N)CC1 584380407 ZLGOSCRENINQQP-HNNXBMFYSA-N 324.390 4.556 30 20 DJED C=C(C)CN(CC)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl 599487576 YAVPSAMVZJUGJO-OLZOCXBDSA-N 312.240 4.522 30 20 DJED CCOc1ccc2nc(S[C@H](C#N)C3CCCCC3)[nH]c2c1 609648527 DWMHYDZIZFAUMZ-MRXNPFEDSA-N 315.442 4.526 30 20 DJED CC[C@H](NCc1cc2c(s1)CCCC2)c1ccc(C#N)cc1 618566886 PWRQYAKDZLBTMU-SFHVURJKSA-N 310.466 4.739 30 20 DJED C=C(C)[C@H](NCc1cc2ccccc2[nH]1)c1ccc(F)c(F)c1 683930413 MEBCZPQWOPKBAX-IBGZPJMESA-N 312.363 4.853 30 20 DJED CN(C(=S)Nc1ccc(C#N)c(Cl)c1)C1CCCCCC1 726450462 PTJJSHFZUXVKBI-UHFFFAOYSA-N 321.877 4.563 30 20 DJED CCCCCCCCC(=O)N[C@@H](c1ncc(C)s1)C1CC1 741968348 MGEYFYQWIRLTKB-MRXNPFEDSA-N 308.491 4.769 30 20 DJED C[C@@H]1CC[C@@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 776301724 XNFLHKVIOIQDJW-ZTNFWEORSA-N 318.420 4.717 30 20 DJED CCC/C=C\C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782829164 OBUFZTOWRQSAOV-MEMKZHQFSA-N 318.420 4.759 30 20 DJED C#CC[C@H](N[C@@H]1CC(C)(C)c2cc(OC)ccc21)c1ccccc1 788982911 GGMARWDYVHRUEH-LEWJYISDSA-N 319.448 4.772 30 20 DJED N#Cc1ccc(NN=Cc2ccc(C(F)F)cc2)cc1Cl 794535355 RNMNXQVODNMZIV-UHFFFAOYSA-N 305.715 4.595 30 20 DJED O=C1/C(=C/c2ccc(C(F)F)cc2)Cc2c(F)ccc(F)c21 794945293 HVCNUCBZKNEKPN-YRNVUSSQSA-N 306.258 4.725 30 20 DJED C#CC[C@H](N[C@H](C)c1nccc2ccccc12)c1ccccc1 810228934 OFYOLVGBWZFSMB-UZLBHIALSA-N 300.405 4.650 30 20 DJED C#CCOc1ccccc1NC(=O)c1ccc(C2=CCCC2)cc1 811188392 IFDXZTIDDLKJKR-UHFFFAOYSA-N 317.388 4.518 30 20 DJED CCCCCCCCC(=O)N1CC(C)(C)[C@H]1c1cccnc1 814134647 MSDGGTXDUGQSKO-GOSISDBHSA-N 302.462 4.742 30 20 DJED CC[C@@H](C#N)Oc1cccc(CNCc2cccc(C3CC3)c2)c1 817407546 SRXDXBPRKMFZLF-FQEVSTJZSA-N 320.436 4.535 30 20 DJED CC(=NNc1c(C)cccc1Cl)c1c(C)nn(C(C)C)c1C 835011262 OGDFRPDAMKCLSH-UHFFFAOYSA-N 318.852 4.879 30 20 DJED FC(F)(F)c1ccccc1C=NOCc1cccc(Cl)c1 852181216 DSACGRAFOFXZIF-UHFFFAOYSA-N 313.706 4.910 30 20 DJED N#CCCCCN[C@@H](Cc1ccccc1Cl)c1ccoc1 924943431 UUNCDTLMSKJWON-KRWDZBQOSA-N 302.805 4.500 30 20 DJED CC(C)c1ccc(C2(O)CCC(=NOC(C)(C)C)CC2)cc1 1116408688 KYUXWJXPCLZNQH-UHFFFAOYSA-N 303.446 4.743 30 20 DJED Cc1cccc(Oc2ccc(Nc3ccncc3C#N)cc2)c1 1184516374 SQXJGBBUSBUTMM-UHFFFAOYSA-N 301.349 4.798 30 20 DJED Cc1nn(-c2ccccc2)c(CSC2CCCCC2)c1C#N 1307266572 NUQUWEPWNNBLCA-UHFFFAOYSA-N 311.454 4.618 30 20 DJED N#Cc1ccc(SC2Cc3ccccc3C2)cc1C(F)(F)F 1307324584 WELNGPQWHLUSKQ-UHFFFAOYSA-N 319.351 4.837 30 20 DJED Cc1csc(NC(=O)NCC[C@@H](C)CC(C)(C)C)c1C#N 1310700572 BQHJDKPAVIUVAT-LLVKDONJSA-N 307.463 4.512 30 20 DJED CCc1cc(C#N)c(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)s1 1355622684 WMELEJBMJWSHNM-UHOFOFEASA-N 316.470 4.727 30 20 DJED Cc1ccc(-c2nc(COc3cc(Cl)cc(C#N)c3)co2)cc1 1459128809 RDMIYPYSJXIJBJ-UHFFFAOYSA-N 324.767 4.754 30 20 DJED N#Cc1ccc(C2CCN(C/C=C\c3ccc(F)cc3)CC2)cc1 1462630864 SBDVHHNWTKFYGR-UPHRSURJSA-N 320.411 4.590 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2ccccc2-c2ccccc2)c1 1525305430 GYOZAMAACCTUSV-UHFFFAOYSA-N 312.372 4.786 30 20 DJED CCCC1(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)CC1 1527164359 NAYIJKXVXQOGOX-NEPJUHHUSA-N 316.470 4.824 30 20 DJED Cc1ccc(C[C@@H](C#N)S[C@H]2CCOc3ccccc32)cc1 1559385283 JJRICUMJLDWHQU-LPHOPBHVSA-N 309.434 4.687 30 20 DJED CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1cc(C)cc(C#N)c1 1562939719 RYDGKGTZKKIUOO-INIZCTEOSA-N 321.424 4.699 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2sc3cccc(F)c3c2C)c1 1597276166 VOKQQRATVCWTKI-UHFFFAOYSA-N 324.380 4.781 30 20 DJED N#Cc1c(F)cccc1N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 1612834653 RDTVRUAQUIXEAR-BLLLJJGKSA-N 320.289 4.684 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H]2CCCC[C@@H]2C)n1 1613423805 MNQICRIUVDUTBP-ZANVPECISA-N 314.376 4.951 30 20 DJED Cc1cc(C#N)ccc1CSc1ncc(-c2ccccc2)o1 1640873116 AWXNPDPITMCLTE-UHFFFAOYSA-N 306.390 4.814 30 20 DJED Cc1cc(NCC2(c3ccccc3)CCCCCC2)ncc1C#N 1642210365 RPPIVCSVRRWBGO-UHFFFAOYSA-N 319.452 4.966 30 20 DJED N#Cc1nc(NC2CCC3(CCCCC3)CC2)sc1Cl 1642571479 MDVYJOVVIXVKRI-UHFFFAOYSA-N 309.866 4.973 30 20 DJED N#Cc1ccc(CN(CC2CC2)C2CCCCC2)c(Cl)c1 1652441035 XBOYURPJDQDJHO-UHFFFAOYSA-N 302.849 4.756 30 20 DJED N#Cc1cncnc1Nc1ccc(Oc2cccc(Cl)c2)cc1 1655051171 GKASDAIEBMLCOX-UHFFFAOYSA-N 322.755 4.538 30 20 DJED C=C(CNC(=O)N(C)[C@H]1CCC[C@H]1C(C)(C)C)c1ccccc1 1686699492 XLNHEWXUMNAYDA-MSOLQXFVSA-N 314.473 4.556 30 20 DJED O=C(O)c1ccc(NN=C2CCCCC[C@H]2c2ccccc2)cc1 1776013788 QEHJBGFAACJXLX-SFHVURJKSA-N 322.408 4.901 30 20 DJED C=C(C)[C@H](NCc1csc(C2CC2)n1)c1ccc(F)c(F)c1 187371565 GZQFQQMUVSGQOL-INIZCTEOSA-N 320.408 4.706 30 20 DJED CCCCC[C@](C)(CC)C(=O)Nc1ccc(F)cc1OCC#N 189419599 BSHVZBVZSFZIBU-SFHVURJKSA-N 320.408 4.663 30 20 DJED CC(C)c1cccc(C(C)C)c1NC(=O)Cc1ccc(C#N)cc1 299518422 IPIJEDRRTZAATE-UHFFFAOYSA-N 320.436 4.986 30 20 DJED Cc1cc2cc([C@@H](C)NCc3ccc(C#N)s3)oc2cc1C 421880976 OPWIVBIKQJKUGK-CYBMUJFWSA-N 310.422 4.834 30 20 DJED CC(C)O[C@H](CSCc1ccc(C#N)cc1)c1ccccc1 427664670 SUJFDRCBNKKEFD-LJQANCHMSA-N 311.450 4.958 30 20 DJED C=C[C@H](CC(=O)N(C)c1ccc(OC(C)C)cc1)c1ccccc1 429580362 UEEXMKIPLZZKSO-QGZVFWFLSA-N 323.436 4.797 30 20 DJED N#Cc1ccc(Oc2nccc(Oc3ccccc3)n2)c(Cl)c1 433019014 HUCQRUKPXAXLAW-UHFFFAOYSA-N 323.739 4.586 30 20 DJED C[C@H](CCC(C)(C)C)NC(=O)N[C@H](CCC#N)c1ccccc1 438861264 SSGQVWXSSRXCKY-NVXWUHKLSA-N 315.461 4.545 30 20 DJED CC[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1S[C@H](C)CC#N 448942830 KXVPLGBUFBXZCX-RBSFLKMASA-N 316.470 4.846 30 20 DJED C=CCC(CC=C)c1nc(CCn2ccc3ccccc32)no1 460152917 VKNYGTXOZARNJO-UHFFFAOYSA-N 307.397 4.503 30 20 DJED C=CCC(CC=C)C(=O)N(Cc1cccc(C)c1)Cc1ccco1 467823968 IKKHFJPVAKTJQG-UHFFFAOYSA-N 323.436 4.885 30 20 DJED C=CC1CCN(C(=O)N[C@H](c2cccs2)C(CC)CC)CC1 476199157 KFKUXPDHJVXCCB-KRWDZBQOSA-N 320.502 4.833 30 20 DJED C=CCCC1(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)CC1 476356790 JYKMHWGCKGDTQS-UHFFFAOYSA-N 324.251 4.625 30 20 DJED C=C(C)CN1CCC(N[C@@H](C)c2ccc(C(C)C)cc2)CC1 482629454 NJPRYNUWLCRJIB-KRWDZBQOSA-N 300.490 4.501 30 20 DJED Cc1cc(CN[C@@H](C)c2c(F)cccc2Cl)ccc1C#N 488170616 QIIJYUQAKXEXGP-LBPRGKRZSA-N 302.780 4.510 30 20 DJED C=CCn1c(SCc2ccncc2Cl)nc2ccccc21 505455218 IIWJOPGXCRUPLP-UHFFFAOYSA-N 315.829 4.563 30 20 DJED CC(C)(C)CCC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 505948159 NFMUPPKMMYAUIZ-ZDUSSCGKSA-N 313.228 4.501 30 20 DJED CO[C@H](CSc1ccccc1C#N)c1ccc(Cl)cc1 509061073 PWPPXXFICMMVSS-OAHLLOKOSA-N 303.814 4.691 30 20 DJED CC(C)Oc1ccccc1[C@@H](C)Nc1ccc(Cl)c(C#N)n1 524684861 ABDSTXBMQJNQJN-GFCCVEGCSA-N 315.804 4.567 30 20 DJED CCOc1ccccc1[C@H](CC(C)C)NCc1ccccc1C#N 539334942 PSWUJIXRFAFEJR-FQEVSTJZSA-N 322.452 4.834 30 20 DJED C[C@H]1C[C@H]1c1noc(-c2cccc(Oc3ccc(C#N)cc3)c2)n1 547187843 WCLCPDILUSMHRY-YVEFUNNKSA-N 317.348 4.524 30 20 DJED CC[C@@H](c1ccc(Br)cc1)N1CCC[C@H](CC#N)C1 595615764 STCPUFJIQNDHKL-CJNGLKHVSA-N 321.262 4.526 30 20 DJED CS[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)C1 609964220 XVILNQFAYLJNIV-NEPJUHHUSA-N 314.376 4.663 30 20 DJED C[C@@H](NC(=O)Nc1cccc2ccccc12)c1cccc(C#N)c1 610317212 UKWDJYXAPGTFNG-CQSZACIVSA-N 315.376 4.594 30 20 DJED CC(C)c1noc([C@H](C)Sc2ccc(Cl)cc2C#N)n1 610655260 XEKLCIIIHMEXCP-VIFPVBQESA-N 307.806 4.571 30 20 DJED C=CCCC[C@@H](C)NC(=O)[C@@H](C)c1ccccc1C(F)(F)F 678881776 RRQNPKSWMJXMMI-OLZOCXBDSA-N 313.363 4.670 30 20 DJED CC(=NNc1ncnc2c1oc1ccccc12)c1cccc(C)c1 725844266 PXZCVADDPKPDPK-UHFFFAOYSA-N 316.364 4.521 30 20 DJED N#CCOc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1 730146956 ININDDPLTVGEIT-VAWYXSNFSA-N 313.356 4.638 30 20 DJED C[C@H](/N=C\c1cc(Cl)cc(Cl)c1O)c1cccc(C#N)c1 743501606 OOWGUWBHDIQGLM-ZFKRWFGPSA-N 319.191 4.751 30 20 DJED Cc1ccc(NN=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 745984637 VMSFQBLJKZRTOZ-UHFFFAOYSA-N 321.336 4.609 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2ccc(Cl)cc2Cl)s1 748994128 HBAPMRBDILRUSD-XQRVVYSFSA-N 308.189 4.823 30 20 DJED CSc1ccc(C(=O)/C=C\c2coc(-c3ccccc3)n2)cc1 749891514 MAQRFWUXBQRJSQ-XFXZXTDPSA-N 321.401 4.960 30 20 DJED CC(/C=C\C(=O)c1cc(F)ccc1[N+](=O)[O-])=C\c1ccccc1 752874784 MMSLICGRZXUYFG-XQALPWGSSA-N 311.312 4.576 30 20 DJED CC(Cc1ccccc1C)=NNc1nc(C(F)(F)F)cs1 755903366 FQYHHETZJSYCJJ-UHFFFAOYSA-N 313.348 4.501 30 20 DJED CC(=NNc1cccc2ccccc12)c1ccc(C#N)c(F)c1 776766571 MAFQTZPHBYFWRE-UHFFFAOYSA-N 303.340 4.687 30 20 DJED C[C@@H](Nc1cccc(N2CCCCC2)c1)c1cccc(C#N)c1 776869926 MIOWOMMPXLGJTL-MRXNPFEDSA-N 305.425 4.722 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccc3cnccc3c2)c(Cl)c1 788360550 ZBXMOHVKOBADGY-UTCJRWHESA-N 318.763 4.656 30 20 DJED CCC[C@](C)(CC)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 796694565 WMQKQWWYGWCRBA-SJCJKPOMSA-N 318.417 4.828 30 20 DJED C#CCCCS[C@@H](C)C(=O)Nc1ccccc1[C@@H](C)CC 808363547 KOJJLPVZHSZHBI-GJZGRUSLSA-N 303.471 4.674 30 20 DJED C[C@@H]1/C(=C\c2ccc(F)c(C#N)c2Cl)C(=O)c2ccccc21 809156349 LDXBXLVSMIJIJE-CEITULEQSA-N 311.743 4.734 30 20 DJED C[C@H](NN=C1CC[C@@H](c2cccc(Cl)c2)C1)C(F)(F)F 841639862 HECBWGQKWYIUKP-GXSJLCMTSA-N 304.743 4.504 30 20 DJED N#C[C@@H](C(=O)/C=C/C1CCCC1)c1nc(-c2ccccc2)cs1 842689267 ZYDAUFLBXRWFTI-OFAQMXQXSA-N 322.433 4.733 30 20 DJED CC(C)c1ccc(C=NOCc2ccc(-n3cccn3)cc2)cc1 852144192 MCPBGKSHHSDKKV-UHFFFAOYSA-N 319.408 4.546 30 20 DJED FC(F)(F)[C@@H]1CCC[C@@H](C=NNc2ccnc(Cl)c2)C1 853397280 NGMMDFGMXIJPMQ-NXEZZACHSA-N 305.731 4.501 30 20 DJED CCC(C#N)(CC)c1nc(-c2ccc(-c3ccccc3)cc2)no1 904548228 IESUEBYWWCIELQ-UHFFFAOYSA-N 317.392 4.985 30 20 DJED O=C(/C=C\c1cccc(Oc2ccccc2)c1)c1ccncc1 916136404 NAPRLNNUSNUXJL-KTKRTIGZSA-N 301.345 4.770 30 20 DJED C/C(=C\C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1CC1 917668821 HHDPCZMUWKNUKX-UPTIQUDWSA-N 316.404 4.637 30 20 DJED CCCCCCCCCN(C)C(=O)Nc1ccnn1C(C)C 918541812 MVXGAZYDGXSYSO-UHFFFAOYSA-N 308.470 4.678 30 20 DJED CC/C=C(\C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918608046 ARGDMDVUROEFKL-ZSTKBLHXSA-N 304.393 4.637 30 20 DJED CC(C)C[C@H](Nc1ncc(C#N)cc1F)c1ccc(Cl)cc1 1162659377 MTRXECDIWGCYDC-INIZCTEOSA-N 317.795 4.945 30 20 DJED CC(C)(C#N)CCN[C@@H](c1ccc(F)cc1)C1CCCCC1 1175361886 LHHVCNXAMWWTJQ-GOSISDBHSA-N 302.437 4.977 30 20 DJED Cc1cc(CN2C[C@H](C)C[C@H]2c2ccccc2F)ccc1C#N 1179938424 URVBUROOPMJDNV-VLIAUNLRSA-N 308.400 4.589 30 20 DJED N#Cc1ccc(Nc2cccc(-c3nnc(C4CCC4)o3)c2)cc1 1257847955 SNOKWPULYOIKIJ-UHFFFAOYSA-N 316.364 4.619 30 20 DJED CC(C)(C)c1csc(NC(=O)c2cc3ccccc3o2)c1C#N 1436550775 AJPVIVQXTZOXAE-UHFFFAOYSA-N 324.405 4.916 30 20 DJED Cc1ccc2c(c1)N(Cc1ccccc1C(C)(C)C#N)C[C@@H](C)O2 1459628786 PMKMUPPKTVZGMD-MRXNPFEDSA-N 320.436 4.584 30 20 DJED COc1cc(CN2CCCC3(CCCCC3)CC2)ccc1C#N 1462095783 RSGXWTZEBDCEDX-UHFFFAOYSA-N 312.457 4.503 30 20 DJED CC1(C)CCCN(CCc2cccc(Cl)c2Cl)[C@@H]1C#N 1473449683 TVACBPRUBVNHAZ-CQSZACIVSA-N 311.256 4.550 30 20 DJED N#Cc1ccc(C2CCN([C@@H]3CCc4c(F)cccc43)CC2)cc1 1473839237 VUWARKXZJSOONY-OAQYLSRUSA-N 320.411 4.564 30 20 DJED COc1ccc(CNC[C@H]2CCCC[C@@H]2C(C)(C)C)cc1C#N 1473969798 VWMZEIDCVYOTLG-AEFFLSMTSA-N 314.473 4.509 30 20 DJED Cc1csc(NC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)c1C#N 1525497517 DUYUDLIZVCHOAD-YPMHNXCESA-N 304.459 4.719 30 20 DJED C[C@@H](C(=O)Nc1sc(-c2ccccc2)cc1C#N)C1CCC1 1525948261 IEWVLWZIHMGUGO-GFCCVEGCSA-N 310.422 4.661 30 20 DJED CC[C@H](CC1CCCC1)C(=O)Nc1cc(C#N)c2ccccc2n1 1532017172 GRBAIPNVUNGPTD-OAHLLOKOSA-N 321.424 4.651 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2cc(C(C)(C)C)oc2C)cc1 1542615500 UVOMXTVFYOAJOA-UHFFFAOYSA-N 324.424 4.754 30 20 DJED CC[C@H](C)[C@H](C(=O)O[C@@H](C)c1cccc(C#N)c1)c1ccccc1 1544187384 CYFJPVZNROMABW-FTRWYGJKSA-N 321.420 4.992 30 20 DJED Cc1cc(F)ccc1C(=O)Nc1scc(C(C)(C)C)c1C#N 1584033667 BOXMREWERVBEQD-UHFFFAOYSA-N 316.401 4.617 30 20 DJED Cc1ccccc1[C@H](Nc1ccnc(C#N)n1)[C@@H]1CCC[C@H](C)C1 1611961523 GPIZBNIMXMNLDV-YYFZDKIDSA-N 320.440 4.636 30 20 DJED N#Cc1cccnc1NCc1ccc(Sc2ccccc2)cc1 1642468475 KGSCFQTWEAFXMF-UHFFFAOYSA-N 317.417 4.717 30 20 DJED CCc1ccc(CSc2nc(C(F)(F)F)ccc2C#N)cc1 1643862602 ZCXAGCLNOWNLIZ-UHFFFAOYSA-N 322.355 4.827 30 20 DJED C=C(Br)CN(CC)[C@H](CC)Cc1ccc(C)cc1 1644687894 JXLCXYOYOPRVMO-MRXNPFEDSA-N 310.279 4.547 30 20 DJED CC(C)[C@@H]1CN(c2snc(Cl)c2C#N)c2ccccc21 1651812051 PKYXVHRIFKPHJH-LBPRGKRZSA-N 303.818 4.559 30 20 DJED CC[C@H](C)c1ccc(C(=O)/C=C\c2ccc(O)c(C(=O)O)c2)cc1 1776697671 METBEDHIJXRAOY-FSIMMPEJSA-N 324.376 4.500 30 20 DJED CCCCCCCC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 3148247 PDBOHHCAXHSBHK-UHFFFAOYSA-N 318.461 4.514 30 20 DJED Cc1sc(NC(=O)Cc2ccc3ccccc3c2)c(C#N)c1C 13973102 OUVUOCMVIYJFME-UHFFFAOYSA-N 320.417 4.571 30 20 DJED N#Cc1ccccc1-c1ccc(CSc2ccccn2)cc1 22415164 BDAATERXOQIXCD-UHFFFAOYSA-N 302.402 4.913 30 20 DJED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1 41535939 DPISFDURKMFYCZ-INIZCTEOSA-N 318.401 4.609 30 20 DJED CCSc1cccc(NC(=O)N(CCC#N)CCC(C)C)c1 78590639 SZMYLJVFZJTZOX-UHFFFAOYSA-N 319.474 4.592 30 20 DJED C[C@@H](CCc1ccco1)Nc1ccc(C#N)c(C(F)(F)F)c1 108968934 UMMSNUKZCHBAIJ-NSHDSACASA-N 308.303 4.603 30 20 DJED N#Cc1cccc(CN[C@H]2CCSc3c(Cl)cccc32)c1 151395332 MUVHHDYCSOVOCN-INIZCTEOSA-N 314.841 4.538 30 20 DJED C=CC[C@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 186586004 USDNOJDAOAYRAI-IBGZPJMESA-N 318.420 4.786 30 20 DJED C#CCCOc1ccc(CN[C@H](c2ccc(C)cc2)C2CC2)cc1 237894627 SQYOQBXMJBRNHZ-JOCHJYFZSA-N 319.448 4.638 30 20 DJED CCCCCCCC(=O)c1ccc(OCc2ccon2)cc1 302937117 JUFJYFGPSVLYEX-UHFFFAOYSA-N 301.386 4.797 30 20 DJED C[C@H]1CCC[C@H]1CC(=O)N(Cc1ccco1)c1ccccc1C#N 346935388 IJGJNABVWCVZPO-HOTGVXAUSA-N 322.408 4.511 30 20 DJED Cc1cccc(-c2nnc([C@H](C)Sc3cccc(C#N)c3)o2)c1 363946263 SXBNYSCJANGQDC-ZDUSSCGKSA-N 321.405 4.770 30 20 DJED C=CC[C@H](CC)NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 410133940 FSBBFVXOKORFOT-XQQFMLRXSA-N 312.240 4.568 30 20 DJED CC(C)(C)c1ccc(NC(=O)c2cccc(SCC#N)c2)cc1 429959974 GQECVRYKIRLACW-UHFFFAOYSA-N 324.449 4.852 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1cccc(COC(C)(C)C)c1C 439445203 YIEVEHJVNOGFSQ-INIZCTEOSA-N 318.461 4.786 30 20 DJED CCC(C)(C)OCc1cccc(N[C@H]2CC[C@H](C#N)C2)c1C 442872023 YHTGKSASDKPCLC-RDJZCZTQSA-N 300.446 4.804 30 20 DJED CCc1cccc(NC(=O)CS[C@@H](C)c2cccc(C#N)c2)c1 443162149 XXLKUWGIWBSELF-AWEZNQCLSA-N 324.449 4.554 30 20 DJED N#CCCN(Cc1ccc(-c2ccsc2)cc1)Cc1ccco1 444653655 WOVZEZFPMGVRMF-UHFFFAOYSA-N 322.433 4.924 30 20 DJED CCCCn1ncc(NC2CCC(C)(C#N)CC2)c1C(C)C 449281198 CBIFIPCSMWLCPS-UHFFFAOYSA-N 302.466 4.691 30 20 DJED CCCCOc1cc(CNc2cccc(CC#N)c2)ccc1OC 449683039 AKSNOMQOHRPBQC-UHFFFAOYSA-N 324.424 4.552 30 20 DJED C=CCC(CC=C)C(=O)Nc1nc(-c2cccs2)cs1 467532715 QPMARSNLCNFLPE-UHFFFAOYSA-N 304.440 4.579 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1cccc(-c2nc(C)cs2)c1 467945734 MXBHXJWJKHOSKB-KRWDZBQOSA-N 300.427 4.659 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)c1ccccc1 475303102 NKFJPELKEIQUEA-CYBMUJFWSA-N 319.857 4.720 30 20 DJED CC(C)Sc1ccc(Cl)cc1NCc1cc(C#N)n(C)c1 480255966 DAAYEIFXVQVUNW-UHFFFAOYSA-N 319.861 4.663 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1ccc(F)cc1F 482004245 AMDKEZJTPIDTTR-UHFFFAOYSA-N 308.372 4.565 30 20 DJED CC1(C)CCC(C(=O)Nc2cccc(OCCCC#N)c2)CC1 490592821 LIBAZLQHEHYKQX-UHFFFAOYSA-N 314.429 4.524 30 20 DJED C=C(C)[C@H](NCc1nc(CCC)cs1)c1ccc(F)c(F)c1 494844814 DLBVYOMPHJDQHV-KRWDZBQOSA-N 322.424 4.781 30 20 DJED C=CCOc1ccccc1C(=O)Nc1ccc(C(F)(F)F)cc1 495204207 BBJNBHKQZFSLER-UHFFFAOYSA-N 321.298 4.523 30 20 DJED C=CCOc1cccc(NC(=O)CC(C)(C)c2ccccc2)c1 501165701 SKWOYDNDUMOBGP-UHFFFAOYSA-N 309.409 4.558 30 20 DJED N#Cc1c(F)cccc1N1CCC(=Cc2cccc(F)c2)CC1 506869224 RMRRBFOGIRXUDI-UHFFFAOYSA-N 310.347 4.520 30 20 DJED N#Cc1ccc(NC(=O)Nc2cccc(-c3cccs3)c2)cc1 510046446 TZJAYNXKBKZYAK-UHFFFAOYSA-N 319.389 4.931 30 20 DJED CCC[C@@H](CC1CCCCC1)C(=O)N1CCC(CC#N)CC1 519634061 FAVBWFYFXHUVRK-SFHVURJKSA-N 304.478 4.525 30 20 DJED CC(C)Sc1ccccc1NCc1ccc(C#N)cc1F 531605191 FLIBTVGCLOKJJZ-UHFFFAOYSA-N 300.402 4.810 30 20 DJED Cc1ccc(C)c(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c1 536973098 KELXVSSNOXKSNH-UHFFFAOYSA-N 312.438 4.786 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(Cl)s1 537623116 WXHLSJVKDDEHQJ-HZPDHXFCSA-N 316.857 4.673 30 20 DJED C[C@@H](NC1(c2cccc(Cl)c2)CC1)c1ccc(C#N)c(F)c1 539652867 GCFKTYGEVKPCKX-GFCCVEGCSA-N 314.791 4.691 30 20 DJED CCSc1cccc(NC(=O)c2ccc(Cl)c(C#N)c2)c1 541621185 FIBRNYKKVWCHCV-UHFFFAOYSA-N 316.813 4.576 30 20 DJED N#C[C@H]1CC[C@@H](N2CCC(c3ccccc3C(F)(F)F)CC2)C1 549865788 DCQGZJGCMUQVBT-DZGCQCFKSA-N 322.374 4.577 30 20 DJED Cc1c(C(=O)N(C2CCCC2)C2CC2)sc2ccc(C#N)cc12 567713151 KPWHGOMNQHNUPA-UHFFFAOYSA-N 324.449 4.629 30 20 DJED N#C[C@@H]1CCC[C@H](Nc2ccc3nc(C(F)F)sc3c2)C1 589189302 GBCYWWHIFDNFIZ-ZJUUUORDSA-N 307.369 4.728 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCc1cc(C2CC2)no1 594706405 XSPGULRKTAOXOP-GFCCVEGCSA-N 313.426 4.558 30 20 DJED Cc1cc(C#N)nc(S[C@H](C)c2cccc(C(F)(F)F)c2)n1 596558739 CITHAALASIIBGT-SNVBAGLBSA-N 323.343 4.529 30 20 DJED CCN(C(=O)CC1(C#N)CCCCC1)[C@H](C)c1ccc(F)cc1 596848777 OWLJPOXDCWTRAZ-OAHLLOKOSA-N 316.420 4.599 30 20 DJED N#CCCSc1ccccc1NC(=O)C1CCC2(CC1)CC2 597176162 GAQPQDOXYBBGST-UHFFFAOYSA-N 314.454 4.601 30 20 DJED C(/C=C/c1ccco1)=NN(Cc1ccccc1)c1ccccc1 606375855 CVGWGOWFQXWEMM-VKCTZHOYSA-N 302.377 4.985 30 20 DJED CSCc1ccc(N[C@@H]2CCCc3cc(C#N)ccc32)cc1 611482643 VRORDZQDCJEEHZ-LJQANCHMSA-N 308.450 4.911 30 20 DJED CC[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cc(F)ccc1F 618803016 GKIYHUURGFMKFK-RBUKOAKNSA-N 312.363 4.565 30 20 DJED C=CCC(C)(C)CNCc1csc(-c2ccc(OC)cc2)n1 645185088 QVILUXSZCHAOFM-UHFFFAOYSA-N 316.470 4.511 30 20 DJED CC(C)(C)c1ncc(/C=C2/Oc3ccc(Cl)cc3C2=O)s1 736433915 LLHBHHNTACEQMC-NTUHNPAUSA-N 319.813 4.710 30 20 DJED CCCCCCCCCCC(=O)N1CCCC[C@H]1c1ncon1 737617356 ZWQBKKDSHFESGR-INIZCTEOSA-N 321.465 4.654 30 20 DJED C=C(C)CN[C@H](c1cccc(OC)c1)c1ccccc1Cl 742260855 BZKLCGGPTCMRQB-GOSISDBHSA-N 301.817 4.604 30 20 DJED CCOc1cccc(C(C)=NNc2ncc(Cl)cc2Cl)c1 743526933 ZOOOFXBGCKGAOM-UHFFFAOYSA-N 324.211 4.623 30 20 DJED C#CCCCC(=O)Nc1ccc(OCc2cccc(C)c2)cc1C 757922950 DADCKPJKUOHBNY-UHFFFAOYSA-N 321.420 4.624 30 20 DJED C#CCC(C)(C)C(=O)Nc1ccc(S[C@H](C)CC)cc1C 767077416 OZZKFCWHASUAQI-CQSZACIVSA-N 303.471 4.874 30 20 DJED COc1ccccc1Oc1ccc(N=Cc2ccccc2O)cc1 769728410 LLJHGTQZXSAZGX-UHFFFAOYSA-N 319.360 4.944 30 20 DJED CSc1ccc2c(c1)CC/C(=C/c1ccc(F)c(C#N)c1)C2=O 770574477 XKYLYAKKJPJWFP-ZSOIEALJSA-N 323.392 4.632 30 20 DJED C#CCCCCCC(=O)N1CCCCC[C@H]1c1ccc(CC)o1 779959720 WDYSSSUMJHSIDK-SFHVURJKSA-N 315.457 4.869 30 20 DJED N#Cc1cc(/C=C\C(=O)c2cc3ccccc3s2)ccc1F 780189097 SZQDHXQEOWALDW-VURMDHGXSA-N 307.349 4.808 30 20 DJED CC(=NNc1cccc2cnccc12)C1CCC(F)(F)CC1 788715447 XWWRWQRBEALFSC-UHFFFAOYSA-N 303.356 4.848 30 20 DJED Clc1cccc(NN=Cc2c(Cl)oc3ccccc23)n1 793176098 YVONEPQNAAXGSF-UHFFFAOYSA-N 306.152 4.581 30 20 DJED COc1ccc(C(=O)/C=C/c2cscc2Cl)c(C)c1OC 794737122 ALAVLZBISYVVCT-GQCTYLIASA-N 322.813 4.623 30 20 DJED C=CCC[C@H](NC[C@@H](O)c1ccc2ccccc2c1)c1ccco1 796761095 MRFAHVNZPBUURP-VQTJNVASSA-N 321.420 4.763 30 20 DJED CCCc1ccc(/C=C/C(=O)c2ccc(C(F)F)nc2)s1 857201597 DBYCXHSYZSISOA-VQHVLOKHSA-N 307.365 4.929 30 20 DJED Cc1noc(C)c1/C=C\C(=O)c1ccc(N2CCCCCC2)cc1 916132823 SOTWYLXMNUDHDA-QXMHVHEDSA-N 324.424 4.568 30 20 DJED C/C(=C/C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C1CC1 919863776 BPNIFMWJPHTAOW-OWBHPGMISA-N 318.376 4.645 30 20 DJED C=CCCO[C@@H](C)C(=O)OCc1sc2ccccc2c1Cl 921146561 AISSTNUFHAEUMI-NSHDSACASA-N 324.829 4.579 30 20 DJED CCOc1ccc(/C=C2\Cc3cc(C)ccc3C2=O)cc1OCC 921268641 CJRBJCNDYFVKEN-GZTJUZNOSA-N 322.404 4.615 30 20 DJED CC(C)C[C@H](C)NC(=O)c1ccccc1Oc1ccccc1C#N 1127340014 BHCFVGWTEFEFHD-HNNXBMFYSA-N 322.408 4.515 30 20 DJED CC(C)CC[C@H]1CCCN1Cc1ccc(C#N)cc1OC(F)F 1168127436 XDPGJDOUBXFYMX-MRXNPFEDSA-N 322.399 4.560 30 20 DJED CCCC[C@H]1CCC[C@H]1NCc1ccc(C#N)cc1OC(F)F 1168981036 LMUVZACAUBCCGM-GOEBONIOSA-N 322.399 4.608 30 20 DJED CC[C@@H](Cc1ccccc1)N(CC)Cc1ccc(C#N)c(C)c1 1180057443 DNBWIXJESRBFCR-NRFANRHFSA-N 306.453 4.710 30 20 DJED CC(C)c1ccc(C[C@@H](C)Nc2snc(Cl)c2C#N)cc1 1185819239 JWEJLWXZUJXCIG-LLVKDONJSA-N 319.861 4.835 30 20 DJED Cc1c(Cl)cnc(N[C@H](C)c2cc3ccccc3o2)c1C#N 1186111152 BAPPQUDCQGWZDZ-LLVKDONJSA-N 311.772 4.834 30 20 DJED N#Cc1cccc(CN(c2ccc(F)cc2)C2CCCC2)c1F 1191898331 CUHWCPLUJKWDJG-UHFFFAOYSA-N 312.363 4.786 30 20 DJED CC(C)COc1cccc(CN(C)[C@H](C)c2cccc(C#N)c2)c1 1195367925 KVJBYAWDKRUUBL-QGZVFWFLSA-N 322.452 4.786 30 20 DJED N#Cc1cc(C(=O)Nc2cccc(Oc3ccccc3)c2)cs1 1264217366 KXHLLMTXRRZNNK-UHFFFAOYSA-N 320.373 4.664 30 20 DJED CC(C)CN(C(=O)C[C@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 1264412468 FUDHFUFSAWXGTC-SJLPKXTDSA-N 312.457 4.764 30 20 DJED Cc1cc(-c2ccccc2)ccc1NC(=O)c1csc(C#N)c1 1264471296 QNNNWHSVWHFZRF-UHFFFAOYSA-N 318.401 4.848 30 20 DJED CCCCN(C(=O)c1csc(C#N)c1)[C@H](C)c1ccc(C)o1 1325517488 ITMJYIUDOOFVIE-CYBMUJFWSA-N 316.426 4.525 30 20 DJED CCC[C@@H](CC(C)C)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1436968722 NJMZXLFTNVLZNX-YJBOKZPZSA-N 300.446 4.540 30 20 DJED Cc1nc(Nc2cccc(COc3ccccc3)c2)ccc1C#N 1472666453 NYMQKORIBRVFSM-UHFFFAOYSA-N 315.376 4.584 30 20 DJED Cc1c(Cl)cnc(NC[C@@H](c2ccccc2)C2CC2)c1C#N 1472794613 HXSNMHKISVCNHP-INIZCTEOSA-N 311.816 4.521 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCCSc2ccccc21 1473584136 PBMGOBQISJZDEK-UHFFFAOYSA-N 314.841 4.714 30 20 DJED CC1(C)CCC(CC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 1534331876 JDEVYZWZFRYZNK-SFHVURJKSA-N 312.457 4.754 30 20 DJED N#Cc1ccc(F)cc1CSc1nc2cc(Cl)ccc2o1 1559323004 HZTPBZNPNYEEHR-UHFFFAOYSA-N 318.760 4.784 30 20 DJED Cc1cc(C(F)(F)F)ccc1CN(CCC#N)CCC(C)C 1560657469 NPIZZPZZQZCDIL-UHFFFAOYSA-N 312.379 4.776 30 20 DJED CC(C)[C@H](C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1cccc(Cl)c1 1583565140 CINOEAXYOKXIAU-XYPHTWIQSA-N 319.832 4.705 30 20 DJED Cc1ccccc1NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1624974741 VGZVLMRKFWYFAR-UHFFFAOYSA-N 323.396 4.688 30 20 DJED Cc1cc(C)cc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 1641842210 KIZPDCPRSPSTJK-SFTDATJTSA-N 304.437 4.575 30 20 DJED C[C@@H]1CCC[C@H](Nc2c(Br)cccc2C#N)[C@@H]1C 1641979268 SASNHWOBNCQSNU-GYSYKLTISA-N 307.235 4.557 30 20 DJED CCCC[C@H](Nc1nccc(C)c1C#N)c1ccc(OC)cc1 1642224060 VRTJRJGFVVRNKB-SFHVURJKSA-N 309.413 4.614 30 20 DJED CCc1nc(S[C@@H](C)c2cccc(C#N)c2)c2ccccc2n1 1644044530 FFWAREKBMOMCBW-ZDUSSCGKSA-N 319.433 4.917 30 20 DJED CC(C)(C)[C@H]1CCCC[C@H]1CNc1ncc(C#N)cc1Cl 1650709154 DQOZXCJYZWCMDA-KBPBESRZSA-N 305.853 4.871 30 20 DJED CC[C@@H]1CCC[C@H]1Nc1cc(C)c(C#N)c2nc3ccccc3n12 1650870956 TXGUXHDOQABSKN-GDBMZVCRSA-N 318.424 4.658 30 20 DJED N#CCc1cccc(Nc2nc3cc(Cl)cc(Cl)c3o2)c1 1651072396 HTDHMOOSUAIMMV-UHFFFAOYSA-N 318.163 4.944 30 20 DJED Cc1cc(Sc2nc(-c3ccccc3C)ns2)ccc1C#N 1651169070 QIAXVAWEILZWBD-UHFFFAOYSA-N 323.446 4.845 30 20 DJED Cc1ccc([C@H]2CCC[C@H]2NCc2ccc(C#N)c(Cl)c2)cc1 1652285623 UALNILUGUSNWSR-UYAOXDASSA-N 324.855 4.946 30 20 DJED CCC(CC)[C@@H](NCc1ccc(F)cc1C#N)c1ccccc1 1653049262 QKMDJMCCBJXUFK-HXUWFJFHSA-N 310.416 4.964 30 20 DJED CC[C@@](C)(CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)OC 1657748885 GMMPOHQPIYFFFE-KKSFZXQISA-N 322.452 4.691 30 20 DJED COc1ccc(C#N)cc1NC1CC(c2ccc(Cl)cc2)C1 1659393084 MZTSWTKCFSWUOP-UHFFFAOYSA-N 312.800 4.578 30 20 DJED CC[C@H](C)Oc1cccc(NC(=O)Nc2cccc(C#N)c2C)c1 1669297563 SKDGUTXYOGRTLL-ZDUSSCGKSA-N 323.396 4.688 30 20 DJED CCCCOc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OC 6340305 PNKNGKWKDSGENH-SFQUDFHCSA-N 322.404 4.697 30 20 DJED Cc1csc([C@@H](C#N)C(=O)c2ccc(C3CCCCC3)cc2)n1 41519375 ZORFXHOUWJKLLR-KRWDZBQOSA-N 324.449 4.989 30 20 DJED C=C(C)COc1cccc(NC(=O)Nc2cscc2C)c1 120581942 KNWFNGDYKLEUEH-UHFFFAOYSA-N 302.399 4.655 30 20 DJED C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(Cl)c(Cl)c1 136223769 ZOXCOUUJPGSBBR-SNVBAGLBSA-N 323.198 4.855 30 20 DJED CC(C)Oc1cccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 192759180 KCVRFLXHCXNEOE-HZPDHXFCSA-N 308.425 4.757 30 20 DJED N#Cc1c(Cl)nsc1N[C@H](c1ccccc1)C1CCC1 301958643 OPVNFBXSPIMKCD-CYBMUJFWSA-N 303.818 4.621 30 20 DJED N#CCCCOc1cccc(NCc2cccc(C3CC3)c2)c1 321298194 BIQDKIVBRMMXKL-UHFFFAOYSA-N 306.409 4.859 30 20 DJED C[C@H]1CC[C@H](CC(=O)N(Cc2ccco2)c2ccccc2C#N)C1 345473192 WHDQFJBHHCLJEK-HOTGVXAUSA-N 322.408 4.511 30 20 DJED CC(C)c1occc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 430595597 VBUUQQKMTSFLOS-GFCCVEGCSA-N 316.426 4.647 30 20 DJED Cc1c(C#N)cccc1NC(=O)CCCCCc1cccs1 431836084 GFNDLWGOIPPJBK-UHFFFAOYSA-N 312.438 4.670 30 20 DJED C[C@@H](Sc1cccc(C#N)c1)c1nnc(-c2cccs2)o1 435034894 NZJXBWKODQROGR-SNVBAGLBSA-N 313.407 4.523 30 20 DJED N#C[C@@H]1CC[C@@H](Nc2cccc(OCc3ccc(F)cc3)c2)C1 442863341 CKTFEIWGTCWVJW-CRAIPNDOSA-N 310.372 4.509 30 20 DJED CC(C)(C#N)CCCCN[C@@H](CC(F)(F)F)c1ccccc1 444668084 DKGAYUIEAMINRO-HNNXBMFYSA-N 312.379 4.990 30 20 DJED C[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1-c1cccc(Cl)c1 447624402 MWVBCOPKMCVBBO-JTQLQIEISA-N 319.191 4.759 30 20 DJED CC(C)Sc1ccc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc1 463304705 SDAJSZPSTHCRBU-YQQAZPJKSA-N 302.487 4.920 30 20 DJED C[C@H](Nc1ccc(Oc2ccccc2)c(C#N)c1)[C@@H]1CCCOC1 474922142 GDCHTHCUGNILRP-JKSUJKDBSA-N 322.408 4.578 30 20 DJED C[C@H](CCNC(=O)C[C@@H](CC#N)c1ccccc1)CC(C)(C)C 476924010 FKGBAJLXDMAEHT-SJLPKXTDSA-N 314.473 4.653 30 20 DJED C=CCCCC(=O)N(Cc1c(F)cccc1F)C1CCCC1 480882555 ZJSICHOYULYMMM-UHFFFAOYSA-N 307.384 4.592 30 20 DJED C=CC[C@@H](C)NC(=O)C1(c2ccc(Cl)cc2)CCCCC1 523969238 CZFPOLONDNKDPP-CQSZACIVSA-N 305.849 4.623 30 20 DJED Cc1cccc(CNc2ncc(Cc3ccc(C#N)cc3)s2)c1 543683496 CBILYRBGGDAXRY-UHFFFAOYSA-N 319.433 4.526 30 20 DJED C=CCC[C@H](C(=O)Nc1sc(CC)nc1C)c1ccccc1 548293826 XSXBPNMIJAVBGN-HNNXBMFYSA-N 314.454 4.702 30 20 DJED N#CC1CCC(CN[C@@H](Cc2ccccc2Cl)C2CC2)CC1 559842026 KLRQJSDGRGOLSI-ZOJXTTQQSA-N 316.876 4.581 30 20 DJED Cc1ccc(C)c([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c1 574183505 JSABRUBUPJWFHM-IIBYNOLFSA-N 304.437 4.903 30 20 DJED Cc1cc([C@@H](N[C@@H]2CCc3ccc(C#N)cc32)C2CC2)ccc1F 578472524 BNGRIOJPNCCEKO-RTWAWAEBSA-N 320.411 4.734 30 20 DJED N#CCC1(CSCc2csc(-c3ccccc3F)n2)CC1 596338749 LUERFKXJAJXRNQ-UHFFFAOYSA-N 318.442 4.876 30 20 DJED CSc1ccc(Cl)cc1N[C@H](C)CC1(C#N)CCOCC1 602492123 RQUHCKDZRJCCQV-GFCCVEGCSA-N 324.877 4.573 30 20 DJED CN(Cc1cc(Cl)cc(Cl)c1)Cc1ccc(C#N)cc1F 603854417 JFUDHBYMHHLVBI-UHFFFAOYSA-N 323.198 4.636 30 20 DJED CC(C)C[C@@H]1CCCCCN1C(=O)Nc1ccc(F)c(C#N)c1 610142494 RYLWNYDMTSPLNU-INIZCTEOSA-N 317.408 4.520 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc2scnc2c1 617099040 KTXZYUPINMXORT-INIZCTEOSA-N 305.406 4.657 30 20 DJED C=CCN(CC=C)C(=O)Nc1ccc(-c2ccccc2)cc1C 642510169 JEEFLVRUTOGFPC-UHFFFAOYSA-N 306.409 4.868 30 20 DJED CCN(CCC(F)(F)F)Cc1ccc(F)c(C(F)(F)F)c1 678222805 VNSYEWMRINEZRO-UHFFFAOYSA-N 317.248 4.619 30 20 DJED C=CCOc1ccc(CNc2ccc(C3CC3)cc2)cc1OC 678499175 XAKJXWKETUMOJM-UHFFFAOYSA-N 309.409 4.750 30 20 DJED Cc1ccc(/C=C\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1F 731488237 AEOXLKLUARPXRU-DAXSKMNVSA-N 319.719 4.592 30 20 DJED CCC(Cc1ccc(C)cc1)=NNc1oc(C(C)(C)C)nc1C#N 731927109 ZTOSCTBVUMVMJR-UHFFFAOYSA-N 324.428 4.573 30 20 DJED CC/C(=C\C(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccc(C)cc1 741531249 DPZHSKKQEKKQSC-HZGBGQKMSA-N 318.420 4.538 30 20 DJED CC(C)CCOc1ccc(NCc2ccc(C#N)s2)cc1 749110435 GSMJKSDSEYOZMQ-UHFFFAOYSA-N 300.427 4.657 30 20 DJED N#Cc1ccccc1/C=C/C(=O)c1ccc(SC(F)F)cc1 755592303 HIOVMRLXHNNSNA-JXMROGBWSA-N 315.344 4.769 30 20 DJED CCOc1cccc(C(=O)/C=C\c2cnc(C(C)C)s2)c1 758428669 FRQUUPBVVLFDLF-HJWRWDBZSA-N 301.411 4.561 30 20 DJED O=C(/C=C\c1ccccc1OCc1ccccc1)c1ccco1 762306463 WTYRHGWPVQRBKX-SEYXRHQNSA-N 304.345 4.755 30 20 DJED C=CCC[C@H](Nc1ccc(-c2nc(C)no2)cn1)c1ccccc1 771929359 XVPPFYFPUDFNIS-KRWDZBQOSA-N 320.396 4.559 30 20 DJED C#CC[C@H](N[C@@H](C)c1ccccc1OC(F)F)c1ccccc1 773105556 HVGVCWGWMKOMSS-YOEHRIQHSA-N 315.363 4.703 30 20 DJED C#CC[C@@H](N[C@H](CC)c1cc(C)ccc1OC)c1ccccc1 773116320 QYTBVQLHPWXMMR-WOJBJXKFSA-N 307.437 4.809 30 20 DJED C[C@@H]1CC[C@@H](C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)C1 776513338 XSGLNCCEEYDMDI-CKYFFXLPSA-N 318.829 4.562 30 20 DJED C[C@@H](OC(=O)CC(C)(C)C#N)c1cc(Cl)ccc1Cl 784364415 BTFRVOXCCHSZKM-SECBINFHSA-N 300.185 4.537 30 20 DJED CCCCCCC[C@@H](C)Nc1ccc2c(c1)N(C(N)=O)CCC2 787316003 LWXVDPNIRQLGLA-OAHLLOKOSA-N 317.477 4.679 30 20 DJED CCCCCCCCCCC(=O)N(C)C1C[C@@H]2CC[C@H](C1)N2C 804565216 BJZXBFKUQBERMX-DFNIBXOVSA-N 322.537 4.601 30 20 DJED N#Cc1ccc(-c2ccccc2)nc1SCOC1CCCC1 808022765 QSUKZYAZIGOSKM-UHFFFAOYSA-N 310.422 4.629 30 20 DJED C=CCCCCCCCNC(=O)N1CCC(OC(C)(C)C)CC1 811927918 SVHULNMGUBVFPQ-UHFFFAOYSA-N 324.509 4.502 30 20 DJED CSc1ccccc1C(=O)N(O)Cc1cccc2ccccc12 901368349 WLKPWHNXCBLDBD-UHFFFAOYSA-N 323.417 4.593 30 20 DJED CN(C)c1ccc(/C=C\C(=O)c2ccccc2C(F)(F)F)cc1 916136505 QIXHJGHJWDGRIZ-XFXZXTDPSA-N 319.326 4.668 30 20 DJED CCCCCCC[C@H](C)CNC(=O)c1scnc1Cl 919754897 RYENJDMPITVXSA-NSHDSACASA-N 302.871 4.523 30 20 DJED C/C(=C/c1c(Cl)cccc1Cl)C(=O)O[C@@H]1CC[C@@H](C#N)C1 1122640829 OSPRDSUXBSAEQO-PWGYGRHZSA-N 324.207 4.632 30 20 DJED CCc1c(C)sc(NC(=O)c2ccc3c(c2)CCC=C3)c1C#N 1125718360 ZYDFGOQWURJEQA-UHFFFAOYSA-N 322.433 4.702 30 20 DJED Cc1ccc(C#N)cc1NCc1ccc(C(F)(F)F)c(C)c1 1202715874 OVUXZKZWSDPBLL-UHFFFAOYSA-N 304.315 4.806 30 20 DJED N#Cc1ccc(CN[C@H](C2CCCCC2)C2CCC2)c(F)c1 1202938748 KTDAVCBOYJIOON-LJQANCHMSA-N 300.421 4.536 30 20 DJED CCc1cc(C#N)c(NC(=O)c2ccc(C)c3ccccc23)s1 1264756270 YPLACASTIILPIC-UHFFFAOYSA-N 320.417 4.896 30 20 DJED C[C@H](OC(=O)CC[C@@H](C)c1ccccc1)c1cccc(C#N)c1 1266016658 RMZRDEKFXAUDFZ-CVEARBPZSA-N 307.393 4.746 30 20 DJED CCC(CC)N(C(=O)c1csc(C#N)c1)c1cccc(C)c1 1436141530 RUMFSWWRYWPMDD-UHFFFAOYSA-N 312.438 4.764 30 20 DJED Cc1cc(N[C@@H]2CCSc3ccc(Cl)cc32)ncc1C#N 1472676598 OCGCFXZUMIZUKI-CQSZACIVSA-N 315.829 4.564 30 20 DJED C[C@H]1CCc2sc(NC(=O)[C@H]3CC[C@@H](C)C3)c(C#N)c2[C@H]1C 1524020341 HFQRRIAZGFPBTK-VOAKCMCISA-N 316.470 4.680 30 20 DJED N#Cc1cccc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)c1 1535226290 OAHGOLNSLXLEOB-LJQANCHMSA-N 310.441 4.523 30 20 DJED C[C@@H]1C[C@H]1[C@@H](Nc1c(C#N)cccc1C#N)c1ccc(Cl)cc1 1559105168 JHFDUHRMFHFILU-LLSQANQASA-N 321.811 4.893 30 20 DJED CCCC[C@H](C)N(CCCC)C(=O)Nc1ccc(F)cc1C#N 1562451179 RLXGCKUSQRLERP-AWEZNQCLSA-N 319.424 4.910 30 20 DJED CCC1(CC)CCN(Cc2ccc(C#N)cc2OC(F)F)CC1 1617309464 ACIZXYCQKCXURR-UHFFFAOYSA-N 322.399 4.562 30 20 DJED CC[C@@H](C)[C@@H](C)Nc1cc(C)c(C#N)c2nc3ccccc3n12 1642292140 DPTDIPPNUQXYCC-TZMCWYRMSA-N 306.413 4.514 30 20 DJED CN(c1ncc(C#N)cc1Cl)C1CC(C)(C)CC(C)(C)C1 1642915221 RTCLMANVSUNWRC-UHFFFAOYSA-N 305.853 4.648 30 20 DJED N#Cc1c(F)cccc1Nc1ccc(Nc2ccccc2)nc1 1650712252 FFUSRGMCPPBUSR-UHFFFAOYSA-N 304.328 4.580 30 20 DJED CCC[C@@H](C)[C@@H]1CCCN1c1ccc(C#N)c(Br)c1 1650860192 QVHDUTUCALCDED-WBMJQRKESA-N 321.262 4.726 30 20 DJED N#Cc1c(F)cccc1N1CCC[C@H]1CCCc1ccccc1 1650862907 SCHONOSXOYXGSU-QGZVFWFLSA-N 308.400 4.689 30 20 DJED Cc1ccc(C#N)c(NC[C@H]2CCCC[C@H]2c2ccccc2)n1 1651852133 QJOLHBLXXTZKBR-MOPGFXCFSA-N 305.425 4.648 30 20 DJED CCc1cc(Br)ccc1N[C@H]1CCC[C@H](C#N)C1 1659434023 APHKTCDNSVKKMN-FZMZJTMJSA-N 307.235 4.506 30 20 DJED C[C@@H]1CN(C(=O)Nc2scc(C(C)(C)C)c2C#N)C(C)(C)C1 1671686781 UAVGRFHPQLJYQZ-NSHDSACASA-N 319.474 4.570 30 20 DJED CC(C)=CCC/C(C)=C/C=NNc1ccc(C(=O)O)c(F)c1 1776073090 BVOGEAKYFHUFMJ-PAYAALPKSA-N 304.365 4.614 30 20 DJED CCc1ccc(C(=O)/C=C\c2c(C)nc3sc(C)cn23)s1 48531953 BSTJYNJJZIZRHL-SREVYHEPSA-N 316.451 4.533 30 20 DJED C[C@@H](c1cccc(Cl)c1)N(C)Cc1ccc(C#N)cc1F 58000619 BGNIVASIGQAPJN-LBPRGKRZSA-N 302.780 4.544 30 20 DJED CC(C)(C)c1cnc(CNc2ccccc2SCCC#N)o1 85276968 JNDIWNPUTROQRH-UHFFFAOYSA-N 315.442 4.590 30 20 DJED CC(C)=CCSc1ccccc1C(=O)[C@H](C#N)c1ccccn1 122270777 JNZJQVWWRNYPRK-MRXNPFEDSA-N 322.433 4.630 30 20 DJED Cc1cccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1Cl 132255108 RXTCMVSCHOUOBV-UHFFFAOYSA-N 312.800 4.702 30 20 DJED CC(C)(CCC#N)CNc1ccc(NC(=O)OC(C)(C)C)cc1 159404158 QRZVYISZWSLZDH-UHFFFAOYSA-N 317.433 4.775 30 20 DJED N#CCCCCN[C@@H](CCc1ccccc1)Cc1ccccc1 178648039 QTVPIAGZUCOVPC-NRFANRHFSA-N 306.453 4.514 30 20 DJED C=CCC[C@H](NCc1nnc(-c2ccccc2)o1)c1ccccc1 180045448 DWUHLFLKVVRNCO-SFHVURJKSA-N 319.408 4.534 30 20 DJED C=CC[C@H](C(=O)Nc1ccc(-c2ncco2)cc1)c1ccccc1 188911604 DGDSXGACOHLNSQ-SFHVURJKSA-N 318.376 4.640 30 20 DJED CC(=C\c1ccccc1)/C=C1\CCOc2ccc(F)cc2C1=O 208020938 IOCRCDZQXOAURJ-MHMBTURYSA-N 308.352 4.821 30 20 DJED COc1ccc2cc(C(=O)/C=C\c3cnn(C(C)C)c3)ccc2c1 255504370 KFERRXGRBIASSM-WTKPLQERSA-N 320.392 4.522 30 20 DJED C[C@@H](Nc1cccc(F)c1C#N)c1nc(-c2ccccc2)cs1 301160614 AJICINCHSXNYSH-GFCCVEGCSA-N 323.396 4.994 30 20 DJED N#Cc1cc(Cl)ccc1N[C@@H]1CCOC2(CCCCC2)C1 301698049 ODWGESSGHBRSMH-OAHLLOKOSA-N 304.821 4.505 30 20 DJED Cc1cc([C@@H](C)Nc2ccc(C#N)cc2C(F)(F)F)c(C)o1 315399482 GHUMTSKGJUDJEM-SNVBAGLBSA-N 308.303 4.960 30 20 DJED C[C@@H]1N=C(O)CC[C@H]1/N=C(/O)C1(C2CCCCC2)CCCCC1 328695739 GLNGZFKWRMSVDW-GOEBONIOSA-N 320.477 4.981 30 20 DJED Cc1cc(C)c2nc(N=C(O)C[C@H]3CCC(=O)[C@@H]3C)sc2c1 330001014 XLGZHAHBURZMKS-VXGBXAGGSA-N 316.426 4.506 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(C(F)F)cc2)n1 353901176 ZQEMAQPXEHDOHF-LBPRGKRZSA-N 320.364 4.694 30 20 DJED C=CC[C@H](C)[C@H](C)NCc1nc(-c2ccccc2F)cs1 428440182 RVOWCPVQMLEBJE-STQMWFEESA-N 304.434 4.640 30 20 DJED C=CCC(C)(C)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 429844349 XYKBKUGNGXMBQA-UHFFFAOYSA-N 300.229 4.554 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@@H](Cc2ccccc2)c2ccccc2)C1 463295945 QOUDDLUGVCGKIY-GIVPXCGWSA-N 304.437 4.642 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1ccccc1N1CCCCCC1 466321885 AUKTYDZRKWLDOS-INIZCTEOSA-N 315.461 4.543 30 20 DJED C=CCOc1cccc(NC(=O)c2c(Cl)ccc(F)c2C)c1 475120871 RVRWFRBFTCDNFL-UHFFFAOYSA-N 319.763 4.605 30 20 DJED COc1ccc(C#N)cc1N[C@H](C)c1ccc(C(F)(F)F)cc1 477269740 SKIMPTSAFNBGKE-LLVKDONJSA-N 320.314 4.759 30 20 DJED N#CCn1c(/C=C/C=C/c2ccc(F)cc2F)nc2ccccc21 485984527 NYOMOOPBSOSBHB-LZSLGQGWSA-N 321.330 4.565 30 20 DJED CC(C)(NCc1ccc(C#N)cc1Cl)c1ccc(Cl)cc1 517379098 RZKDDYCHHSNTFB-UHFFFAOYSA-N 319.235 4.890 30 20 DJED N#Cc1cccc(SC(c2ccccc2)c2ccccc2)n1 533684339 JASWIZGBXMIAHG-UHFFFAOYSA-N 302.402 4.835 30 20 DJED C=C[C@H](CC(=O)Nc1cccc(COC(C)C)c1)c1ccccc1 534638856 LSFPHIIGHYOFCB-GOSISDBHSA-N 323.436 4.910 30 20 DJED C=CCCC[C@@H](C)NC(=O)c1ccc(CCC(F)(F)F)cc1 540534269 KUVGNERFUCAPCG-CYBMUJFWSA-N 313.363 4.656 30 20 DJED C=C(CC)CN[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C 542569445 URUPYLIXFXUFEB-CYBMUJFWSA-N 316.470 4.744 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@H]2C[C@H](c3ccccc3Cl)C2)c1 549293316 JEEZOJZRNADCIU-WKILWMFISA-N 324.811 4.772 30 20 DJED Cc1ccc2c(c1)[C@H](N[C@H]1CCCc3cc(C#N)ccc31)CC2 557483716 RSKXUZGBQCGGKO-LEWJYISDSA-N 302.421 4.521 30 20 DJED COc1ccc([C@H](N[C@@H]2CCc3ccc(C#N)cc32)C(C)C)cc1 562096870 WYKHSYLHINDOCE-NHCUHLMSSA-N 320.436 4.541 30 20 DJED Cc1cc(C(C)(C)C)cc(C)c1C[S@@](=O)CCC(C)(C)C#N 564775110 SCXVSHGAAOVRFZ-QFIPXVFZSA-N 319.514 4.790 30 20 DJED Cc1ccc([C@H](c2noc(-c3cc(C#N)oc3C)n2)C(C)C)cc1 571565566 IYTOKQMVRGXESM-QGZVFWFLSA-N 321.380 4.606 30 20 DJED CCC[C@@H](NC[C@@H](C#N)CCC#N)c1cccc(C(F)(F)F)c1 578740374 FAKMWWNRZMAZFF-CZUORRHYSA-N 323.362 4.580 30 20 DJED N#CCCC1CCN(Cc2ccccc2OC2CCCC2)CC1 584173269 IDCCSPBLHAHIGM-UHFFFAOYSA-N 312.457 4.524 30 20 DJED C=CC1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2F)CC1 601111960 FLFAAPOCIYIXLQ-UHFFFAOYSA-N 324.399 4.923 30 20 DJED N#CCc1cccc(C(=O)N(c2ccccc2)C2CCCCC2)c1 604469969 NAIXEXABIGQZIT-UHFFFAOYSA-N 318.420 4.732 30 20 DJED C=CCCCSc1nnc(-c2ccccc2)n1[C@@H](C)CC 605077167 GNJMDRWKKAZNDH-AWEZNQCLSA-N 301.459 4.974 30 20 DJED CC1(C)C[C@@H](NCc2ccc(C#N)c(Cl)c2)c2ccccc21 619754684 HXLXINZSFRANMS-GOSISDBHSA-N 310.828 4.724 30 20 DJED C=CCC[C@H](NCc1c(C)c2ccccc2n1C)c1ccco1 671762722 KVYXNGFKBWXFAW-KRWDZBQOSA-N 308.425 4.877 30 20 DJED Clc1c(C=Nn2cnc3ccccc32)sc2ccccc12 725849042 RWDCWJFCBKPFFN-UHFFFAOYSA-N 311.797 4.787 30 20 DJED C=C(C)COc1cccc(NC(=S)Nc2ccccc2F)c1 727284980 PNVPXENRLDXJIR-UHFFFAOYSA-N 316.401 4.590 30 20 DJED Fc1cc(C=NNc2cccc3ccccc23)cc(F)c1F 727969252 ABAMKKZFXWYDPK-UHFFFAOYSA-N 300.283 4.703 30 20 DJED COc1ccc(/C=C\C(=O)c2cccc(C)c2)c(Cl)c1OC 730435009 VPKDWZPVPLXBDE-CLFYSBASSA-N 316.784 4.562 30 20 DJED CCc1c(C)sc(NC(=O)C[C@@H]2CCc3ccccc32)c1C#N 734393793 XFNSFUIYKYUSJF-AWEZNQCLSA-N 324.449 4.549 30 20 DJED C=CC[C@H](C)NCc1c(C)nn(-c2cccc(Cl)c2)c1Cl 735086076 OFHKOAWBNPHXAR-NSHDSACASA-N 324.255 4.542 30 20 DJED Cc1cccc([C@@H](C)C(=O)[C@H](C#N)c2ccc3ccccc3n2)c1 740527593 HRAMGCXDNVNAHI-CRAIPNDOSA-N 314.388 4.523 30 20 DJED Cc1ccc2c(c1C)C(=O)/C(=C/c1nccc3ccccc13)CO2 740765505 DNKFMZLZMYJVOF-LFIBNONCSA-N 315.372 4.510 30 20 DJED C=CCN(C(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(C)C 741532507 DUQSNTZKAGSQSM-CYBMUJFWSA-N 313.363 4.622 30 20 DJED CC(=NOCc1cccnc1)c1cccc(-c2ccccc2)c1 746587120 FBVRRPPXDLKBSM-UHFFFAOYSA-N 302.377 4.689 30 20 DJED C=C[C@@H](CC(=O)Oc1ccccc1OC(F)F)c1ccccc1 759015785 MESHWLADZPISSW-ZDUSSCGKSA-N 318.319 4.553 30 20 DJED C=CC[C@@H](NC(=O)[C@H](CC)C1CCC(C)CC1)c1ccncc1 763481480 WKILAGWBCXSVBQ-LRMJVLKBSA-N 314.473 4.668 30 20 DJED CC(C)(C#N)CCCCOC(=O)Cc1ccc2ccccc2c1 768495975 NRDIAGOYWSGCFF-UHFFFAOYSA-N 309.409 4.646 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1F)c1csc2ccccc12 772926058 FATRPGQCGFTLGZ-GFCCVEGCSA-N 310.397 4.763 30 20 DJED O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1cscn1 776193498 ZKDNOZCHIARTDF-FNORWQNLSA-N 315.781 4.953 30 20 DJED C=CCC[C@@H](C(=O)OCc1cccnc1Cl)c1ccccc1 778553245 UTRBBHZODDGMNW-MRXNPFEDSA-N 315.800 4.528 30 20 DJED CC(C)=C(C)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782487326 ZEWNYLWKPOWKQS-INIZCTEOSA-N 318.420 4.759 30 20 DJED C[C@@H](SCc1cccc2nsnc12)c1cccc(C#N)c1 785533247 BFBADENHARDHST-LLVKDONJSA-N 311.435 4.557 30 20 DJED CC[C@@H](CC#N)OC(=O)c1sc2cc(C)ccc2c1Cl 787084764 ROBUJCBFLUXJPJ-JTQLQIEISA-N 307.802 4.712 30 20 DJED C=CCCCCC[C@@H](C)Nc1cccc(CN2CCCC2=O)c1 793551092 WVBJPQCRMIPLAB-QGZVFWFLSA-N 314.473 4.746 30 20 DJED O=C(/C=C/c1ccc(C(F)F)cc1)c1cc(F)cc(F)c1O 794941518 QHIAOFWKYMZNBJ-ZZXKWVIFSA-N 310.246 4.504 30 20 DJED C=CCCc1ccccc1NC(=O)C[C@]1(C)CC1(Cl)Cl 831299545 PLQKNFGKNXMXBO-OAHLLOKOSA-N 312.240 4.718 30 20 DJED CC(=NNc1c(C)cccc1Cl)c1cnn(C(C)C)c1C 835011386 PYQJDUGOPCHVGC-UHFFFAOYSA-N 304.825 4.570 30 20 DJED CCCCCCCCCCCC(=O)N1Cc2ccncc2C1 848381144 HEYNYIGZGLUJGX-UHFFFAOYSA-N 302.462 4.845 30 20 DJED CCCCCC[C@](C)(CCC)C(=O)N1CCC[C@@H](CC#N)C1 855254316 IMTMNAGGPOWWHN-HKUYNNGSSA-N 306.494 4.915 30 20 DJED COc1ccc(C(=O)/C=C\c2c(F)cccc2Cl)cc1F 917613825 RDFQIFNFOJJSPR-SREVYHEPSA-N 308.711 4.523 30 20 DJED COc1cccc(/C=C2\Cc3cc(C)ccc3C2=O)c1OC(C)C 921264756 YQOXCGDSTAWMFT-GZTJUZNOSA-N 322.404 4.613 30 20 DJED Cc1cc(C#N)ccc1CN1CCC(c2ccc(Cl)cc2)CC1 1169613890 QUFAFJZDSGNMPT-UHFFFAOYSA-N 324.855 4.900 30 20 DJED CN(Cc1ccc(F)c(C#N)c1)[C@H]1CCCC[C@H]1c1ccccc1 1171169463 HIUMCPXHTMAETD-FPOVZHCZSA-N 322.427 4.856 30 20 DJED Cc1cc(C)c(/C=C/CNc2ccc(F)cc2OCC#N)cc1C 1180724052 TWYZCZHSWIRATO-SNAWJCMRSA-N 324.399 4.779 30 20 DJED C[C@@H]1CCCC[C@@H]1Sc1nc(C(F)(F)F)ccc1C#N 1189166417 NQJXOONSQZOMNY-KOLCDFICSA-N 300.349 4.643 30 20 DJED Cc1ccc([C@@H](Nc2ccc(OCC#N)cc2)C2CCC2)cc1 1255297212 YDOFMCLMZABJND-FQEVSTJZSA-N 306.409 4.851 30 20 DJED N#Cc1cccc(CN2C[C@H]3CCCC[C@]32c2ccccc2)c1F 1307534363 JDVNUKAFGGGEPI-CTNGQTDRSA-N 320.411 4.599 30 20 DJED CCCOc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1C 1308829783 MWJFSSZERSNWFK-QGZVFWFLSA-N 322.452 4.849 30 20 DJED Clc1ccc(NN=CC2CCC(c3ccccc3)CC2)nn1 1325140139 RAPCXDQIHFTNTO-UHFFFAOYSA-N 314.820 4.502 30 20 DJED CC(C)c1ccccc1C(=O)Nc1sc2c(c1C#N)CCCC2 1349746784 TXDTVXJGTOEHPY-UHFFFAOYSA-N 324.449 4.874 30 20 DJED Cc1ccc(Sc2nccc(Oc3cccc(C#N)c3)n2)cc1 1458064452 VMBOOWRLDVXIRL-UHFFFAOYSA-N 319.389 4.600 30 20 DJED C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(Cl)cc1C#N 1460821922 ZBOAPMDHXNTDEM-YWZLYKJASA-N 324.855 4.980 30 20 DJED CCCc1c(NCC(CC)CC)cnn1-c1cccc(C#N)c1 1474456221 KSTDVBYERRSQKR-UHFFFAOYSA-N 310.445 4.545 30 20 DJED CC(C)(C)C[C@@H]1C[C@H]1C(=O)N(c1ccc(C#N)cc1)C1CCC1 1529864377 ZFQFNTDSYKQPEQ-MAUKXSAKSA-N 310.441 4.516 30 20 DJED CCC(CC)C(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@@H](C)CC2 1544833471 VXQYWZAYXKEDLV-QWRGUYRKSA-N 304.459 4.680 30 20 DJED Cc1cc(Nc2ccc(COc3ccccc3)cc2)ncc1C#N 1612199706 GHLLIPRYOWCDGP-UHFFFAOYSA-N 315.376 4.584 30 20 DJED N#Cc1cccc(CN2C[C@@H](c3ccccc3)c3ccccc32)c1 1617612291 XTBYETVBKLDZCA-NRFANRHFSA-N 310.400 4.710 30 20 DJED COc1ccc(CCN(CCC(C)(C)C#N)CC(C)(C)C)cc1 1644617757 IFSUGGKTUKDMLB-UHFFFAOYSA-N 316.489 4.526 30 20 DJED C[C@H]1CCCc2ccccc2[C@@H]1NCc1cccc(F)c1C#N 1652121290 YNLVRCPLSIMIGT-VBKZILBWSA-N 308.400 4.501 30 20 DJED CCC[C@@H](C)CCCC(C)=NNc1ccc(F)c(C(=O)O)c1 1776063635 AAMJGTHSWSUMMU-GFCCVEGCSA-N 308.397 4.918 30 20 DJED O=C(/C=C/c1ccsc1)c1ccc(F)c(Br)c1 11335390 QDTGKQKRABCBDY-DAFODLJHSA-N 311.175 4.546 30 20 DJED CSc1ccc(C(=O)/C=C/c2cc(C#N)cs2)c(Cl)c1 122241507 HXUIEOZCPWIYSU-HWKANZROSA-N 319.838 4.891 30 20 DJED N#CC1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 123696696 LTVBVKQLFJGSFS-UHFFFAOYSA-N 316.857 4.804 30 20 DJED N#C[C@H](C(=O)C1=CCCCCC1)c1nc(-c2ccccc2)cs1 123717046 UMSVSRBZRRIZBA-MRXNPFEDSA-N 322.433 4.877 30 20 DJED C=C[C@H](CC(=O)N(Cc1cccs1)C1CC1)c1ccccc1 130037550 MYLIAPQHDMSWRK-OAHLLOKOSA-N 311.450 4.599 30 20 DJED C[C@@H](C#N)Oc1ccc(CNc2ccccc2OC(C)(C)C)cc1 150883182 NNHRQOCHYJFGCT-HNNXBMFYSA-N 324.424 4.767 30 20 DJED Cc1cccc(C)c1COc1ccc(Br)cc1C#N 157467648 FFRGPKQBXRWEKY-UHFFFAOYSA-N 316.198 4.517 30 20 DJED N#Cc1ccc(N[C@H]2CCO[C@H](c3ccccc3)C2)cc1Cl 160646103 POWAHUJXJCSDOP-WMZOPIPTSA-N 312.800 4.544 30 20 DJED CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1F 160736976 ZBRAIPYDMKYOHP-KPZWWZAWSA-N 300.352 4.638 30 20 DJED CC(C)n1ncc2ccc(N[C@@H](C)c3cccc(C#N)c3)cc21 183004954 VPVVYVNMVDPMJK-AWEZNQCLSA-N 304.397 4.662 30 20 DJED N#CCCCOc1cccc(N[C@@H]2CCCNc3ccccc32)c1 193083106 YNRJVZNTKCEFKU-HXUWFJFHSA-N 321.424 4.728 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@H](c2ccccc2)c2cccc(F)c2)C1 249038852 UEPKTYMUKMWSKN-UIAACRFSSA-N 308.400 4.587 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)CC1CCCCC1 301747993 HKAIKFHVBLHFOR-UHFFFAOYSA-N 311.878 4.887 30 20 DJED C[C@@H](Nc1ccc(C#N)cc1F)c1ccc(C(F)(F)F)cc1 317306423 UUBVUUXMBQFQHT-SNVBAGLBSA-N 308.278 4.889 30 20 DJED Cc1[nH]nc(-c2ccccc2)c1N=C(O)C[C@H]1C[C@H]2CC[C@H]1C2 330135890 SYHYWCDUYFTQSU-CWRNSKLLSA-N 309.413 4.799 30 20 DJED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 410133941 FSBBFVXOKORFOT-YNEHKIRRSA-N 312.240 4.568 30 20 DJED CC(C)(C)c1cc(C#N)c(NC(=O)CCc2ccsc2)s1 411009634 YUFMVGQYOKZVCZ-UHFFFAOYSA-N 318.467 4.550 30 20 DJED Cc1cccc2nc(CS[C@@H](C)c3cccc(C#N)c3)cn12 443157218 QJTFPPPAZRNBAS-AWEZNQCLSA-N 307.422 4.509 30 20 DJED CC(C)N(C(=O)CC(C)(C)C#N)c1ccc(Cl)c(Cl)c1 447342485 UBDYLBWMETYGQT-UHFFFAOYSA-N 313.228 4.675 30 20 DJED Cc1cc(CNc2cccc(CC#N)c2)c(OC(F)F)cc1C 449691800 YKUZQAIZVVNXQH-UHFFFAOYSA-N 316.351 4.583 30 20 DJED C=CCC1(C(=O)Nc2cnn([C@H](C)CC)c2C)CCCCC1 451150121 RSOHSLKFQGMBRC-CQSZACIVSA-N 303.450 4.628 30 20 DJED CC(C)C[C@]1(C)CCCN1C(=O)C[C@H](CC#N)c1ccccc1 452512373 QAIQDPXHFKGZIP-ICSRJNTNSA-N 312.457 4.501 30 20 DJED CCc1noc(C)c1COc1ccc(-c2ccc(C#N)cc2)cc1 466307082 JCIGLTMIGZSSOR-UHFFFAOYSA-N 318.376 4.663 30 20 DJED C=CC[C@H](CC)NC(=O)N1CC=C(c2cccc3ccccc23)C1 466377116 QYKHXFGJFZBMCZ-SFHVURJKSA-N 320.436 4.603 30 20 DJED Cc1oc2ccccc2c1CN[C@@H](C)c1ccc(C#N)c(F)c1 468046005 ADHUWSJCXOZRIJ-LBPRGKRZSA-N 308.356 4.603 30 20 DJED N#Cc1ccc(NCc2csc(C3CCCC3)n2)c(Cl)c1 486577315 URZUNSZOSBEFGV-UHFFFAOYSA-N 317.845 4.938 30 20 DJED COc1ccc(CNc2ccc(-c3ccco3)cc2F)cc1C#N 486791232 LVFZESBNPDPYTN-UHFFFAOYSA-N 322.339 4.578 30 20 DJED C=C[C@H]1CCCCN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 488818069 GHIGTQWYKDSNCT-KXBFYZLASA-N 323.436 4.519 30 20 DJED CCCN(Cc1ccc(C#N)s1)[C@@H](C)c1ccccc1OC 508625823 ROGIJAAEZYZLDH-AWEZNQCLSA-N 314.454 4.602 30 20 DJED C=CCCCCCN(C)C(=O)c1ccccc1Oc1ccncc1 509972210 NDFHYNDFHPCMNL-UHFFFAOYSA-N 324.424 4.692 30 20 DJED C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)c1cccnc1 510180386 LLWNATJUGLHCEY-CQSZACIVSA-N 317.417 4.869 30 20 DJED C[C@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2cccc(C#N)c2)C1 513548185 IPJMORCTNATWDU-HNAYVOBHSA-N 319.408 4.563 30 20 DJED N#Cc1cccc(-c2nc3cc(Br)ccc3s2)c1 513857888 RNWXOQFCLWVBMO-UHFFFAOYSA-N 315.195 4.597 30 20 DJED C=CCC(F)(F)c1nc(-c2cc(F)ccc2C(F)(F)F)no1 516752063 MIUBWCMSAIZJNM-UHFFFAOYSA-N 322.208 4.562 30 20 DJED CC[C@@H](c1ccccc1)N(CC)C(=O)Nc1cccc(C#N)c1 521763856 AFOWVOMSALFJDE-SFHVURJKSA-N 307.397 4.563 30 20 DJED C=CCN[C@H](c1cccc(SC)c1)c1cc(F)ccc1F 531537020 SGFKFDBYVGFAED-QGZVFWFLSA-N 305.393 4.552 30 20 DJED CCC(CC)[C@@H](C)C(=O)Nc1ccccc1SCCC#N 534906274 MUJNSSNOTMRKPF-CYBMUJFWSA-N 304.459 4.703 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCC(C)(C)C1 535918816 SBGLTFYXYWZIDX-SFHVURJKSA-N 312.457 4.512 30 20 DJED CC(C)[C@@H](NCc1cccc(C#N)c1F)c1ccc(Cl)cc1 539198293 MZVZLQHCTWOMLX-GOSISDBHSA-N 316.807 4.838 30 20 DJED C[C@@H]1CCCC[C@@H]1c1noc(CSc2ccc(C#N)cc2)n1 544758104 WPXYDNKUQWWUGP-DOMZBBRYSA-N 313.426 4.527 30 20 DJED CC(C)c1ccc([C@H](C)CC(=O)N(C2CC2)C2(C#N)CCC2)cc1 556454335 MQBKVOPFBDEWRM-MRXNPFEDSA-N 324.468 4.741 30 20 DJED N#Cc1ccc2c(c1)[C@H](NCc1ccc(-c3ccccc3)o1)CC2 564431294 BZLNUNVKDXCBJR-HXUWFJFHSA-N 314.388 4.595 30 20 DJED N#Cc1cccc(-c2csc(NC(=O)C3=CCCCCC3)n2)c1 567003626 HJEWKDNPPOURKD-UHFFFAOYSA-N 323.421 4.511 30 20 DJED C[C@@H](Nc1ccc(C#N)cc1)c1ccc(Oc2cccnc2)cc1 572914309 KEKNDWNUBPCZIU-OAHLLOKOSA-N 315.376 4.919 30 20 DJED N#Cc1ccc2c(c1)[C@@H](NC(c1ccccc1)c1ccccc1)CC2 578404594 YYHPUWNANMITQX-QFIPXVFZSA-N 324.427 4.925 30 20 DJED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(C2CC2)c1 590254344 BPQLRKDLAYTTLJ-SZNDQCEHSA-N 302.421 4.774 30 20 DJED CC(C)(C#N)c1ccccc1CSCc1cc(C2CC2)no1 596412239 YBZWNJKBGVNTLU-UHFFFAOYSA-N 312.438 4.787 30 20 DJED COc1ccccc1-c1ccc([C@H](C)NC[C@@H](C)CCC#N)cc1 602561789 FWBKUMHIIVEHOT-IRXDYDNUSA-N 322.452 4.953 30 20 DJED Cc1ccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c(C)c1 611093096 CYVUOVMCPNUCSG-UHFFFAOYSA-N 319.191 4.734 30 20 DJED CCN(Cc1cc2ccccc2[nH]1)[C@H](C)c1ccc(C#N)cc1 619069242 GWFDXXLRASIBRS-OAHLLOKOSA-N 303.409 4.623 30 20 DJED C#Cc1cccc(NCc2cccc(Br)c2Cl)c1 706411180 NLDGMQRTNCCKQE-UHFFFAOYSA-N 320.617 4.696 30 20 DJED O=C1/C(=C/c2cnc(-c3ccccc3)s2)Cc2ccccc21 727264068 LPMZHWMIXMFQQD-RVDMUPIBSA-N 303.386 4.633 30 20 DJED COc1ccccc1/C=C1\Cc2c(ccc(Cl)c2Cl)C1=O 729151066 NQRWFNUIIWNEQG-DHZHZOJOSA-N 319.187 4.824 30 20 DJED CC(=NNc1ccc(C#N)cc1)[C@@H](C)c1nc2ccccc2s1 748786505 SPQYTUAFZKFYFC-GFCCVEGCSA-N 320.421 4.759 30 20 DJED CC(C)c1cnc(CNc2ccccc2SC[C@@H](C)C#N)o1 754308087 XRDSHVSNPIVSAU-ZDUSSCGKSA-N 315.442 4.662 30 20 DJED CC(C)[C@H](c1ccccc1)N(C)Cc1ccc(O[C@@H](C)C#N)cc1 769402778 CZURJFMQTTUHMG-LAUBAEHRSA-N 322.452 4.807 30 20 DJED O=C1/C(=C/c2ccc3cnccc3c2)CCc2ccc(F)cc21 782351848 NZQWHPPCGNFYCC-MHWRWJLKSA-N 303.336 4.586 30 20 DJED C=CCC[C@H](CC)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 792176426 CQNRBZWNAPYXOK-WFASDCNBSA-N 319.836 4.785 30 20 DJED Cc1ccc(COc2cccc(N[C@@H]3CC[C@H](C#N)C3)c2)cc1 799724312 KRLAQRABWCRQKJ-PKOBYXMFSA-N 306.409 4.678 30 20 DJED N#C[C@@H]1CC[C@@H](Nc2ccc3cc(Br)ccc3c2)C1 799734844 OYLPPFWUMLHPHJ-IAQYHMDHSA-N 315.214 4.706 30 20 DJED C/C(C=NNCCC(F)(F)F)=C/c1ccccc1C(F)(F)F 799886672 AOAVLZZKNVLLLP-HDLOJYHWSA-N 324.268 4.637 30 20 DJED C[C@H](CC(C)(C)C#N)Nc1ccc2nc(C(F)F)sc2c1 894430144 RHCGWBZSCYCPOU-SECBINFHSA-N 309.385 4.974 30 20 DJED FC(F)(F)c1ccc(NN=C2CCCCc3ccccc32)nc1 915917639 JGRDAGSIIFNLSZ-UHFFFAOYSA-N 319.330 4.643 30 20 DJED Clc1ccc(NN=Cc2ccc(Br)s2)cc1 916246879 NKUDOCORURUYCT-UHFFFAOYSA-N 315.623 4.610 30 20 DJED N#Cc1ccc(Oc2cccc(NC(=O)CCC3CCC3)c2)cc1 1126013053 PXDMAMNCVPJKFI-UHFFFAOYSA-N 320.392 4.869 30 20 DJED CCNc1ccc(C#N)cc1NC(=O)[C@@H](CC)CC1CCCC1 1150797137 IGKNCWAKGQMVQH-INIZCTEOSA-N 313.445 4.535 30 20 DJED CCc1oc2ccccc2c1CN(C)c1cccc(F)c1C#N 1184659000 XMSOYJZHMGZSAG-UHFFFAOYSA-N 308.356 4.642 30 20 DJED C[C@@H](c1ccccc1Cl)N(CCc1ccc(C#N)cc1)C1CC1 1190837338 CTFLNPDMRAYRHS-HNNXBMFYSA-N 324.855 4.980 30 20 DJED Cc1c(C#N)cccc1NC(=O)N(C)c1cccc(C(C)C)c1 1215786176 DXZBRTZKIVCSLB-UHFFFAOYSA-N 307.397 4.658 30 20 DJED C=C(Br)CN(Cc1ccc2ccccc2c1)C1CC1 1307429590 NDZXNSPSLVUGIG-UHFFFAOYSA-N 316.242 4.713 30 20 DJED CC(C)c1ocnc1COc1ccc(-c2ccc(C#N)cc2)cc1 1320524993 DNAZMRSHHNXSRV-UHFFFAOYSA-N 318.376 4.916 30 20 DJED CC1(C)[C@@H](Nc2ccc(OCC#N)cc2)C[C@@H]1c1ccccc1 1325557864 GUISYWKJTJGGMD-MOPGFXCFSA-N 306.409 4.583 30 20 DJED Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1C#N 1351741624 RAKJJOYGOLNFPI-UHFFFAOYSA-N 312.372 4.786 30 20 DJED C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CC1(C#N)CCCCC1 1352379949 BMVZZMBZPSTASD-KRWDZBQOSA-N 324.468 4.678 30 20 DJED CCc1cccc(COc2c(C#N)cnc3ccc(C)cc23)c1 1473036604 PHQIADVYQGVRQJ-UHFFFAOYSA-N 302.377 4.556 30 20 DJED COc1cc(C#N)ccc1CN(c1ccccc1F)C1CCCC1 1473245856 XSFANRVMLAQIKH-UHFFFAOYSA-N 324.399 4.655 30 20 DJED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(COC(C)C)cc1 1526781251 BSEVIXOINJSQBO-GOSISDBHSA-N 316.445 4.574 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(C(C)(C)C)cc1 1529667253 UZOKWQHBLFADOC-HNNXBMFYSA-N 320.436 4.689 30 20 DJED CC[C@@H](CC(=O)O[C@H](C)c1cccc(C#N)c1)c1ccccc1 1544194328 MUVXCDCNQCCRAD-WBVHZDCISA-N 307.393 4.746 30 20 DJED N#Cc1nc(N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)sc1Cl 1642658645 HFKDHYWAQNFZLL-ZYHUDNBSSA-N 321.808 4.555 30 20 DJED Cc1cc(N[C@@H]2C[C@]2(C)C(C)C)n2c(nc3ccccc32)c1C#N 1651128369 BBLHLKCLNUQBQD-YLJYHZDGSA-N 318.424 4.514 30 20 DJED Cc1c(Cl)cnc(NC[C@@H](C)Sc2ccccc2)c1C#N 1651580397 KQORSFWUQDVUBD-LLVKDONJSA-N 317.845 4.508 30 20 DJED C[C@H](N[C@H]1CC[C@H](Cc2ccccc2)C1)c1cccc(C#N)c1 1653101535 XARVSWFFBRRJEA-CDXJDZJCSA-N 304.437 4.620 30 20 DJED CC(C)N(CC/C=C\c1ccccc1)Cc1ccc(C#N)cc1 1653247538 DWDHIUGVTDOROY-POHAHGRESA-N 304.437 4.872 30 20 DJED CN(Cc1ccc(C#N)s1)Cc1ccccc1-c1ccccc1 1653274535 ITIXURYDXWBINE-UHFFFAOYSA-N 318.445 4.919 30 20 DJED CC[C@@H](NCCC1(C#N)CCCCC1)c1ccc(OC)cc1 1653983889 UXFYHZQQQFRZLQ-GOSISDBHSA-N 300.446 4.600 30 20 DJED N#Cc1ccc(CN2C[C@H]3CCCC[C@@]32c2ccccc2)c(F)c1 1657372603 IMQAZGXTDMBZEC-TZIWHRDSSA-N 320.411 4.599 30 20 DJED COc1cc(CNc2cccc(CC#N)c2)cc2ccccc12 1657383934 LBAVTHSRQOKKBN-UHFFFAOYSA-N 302.377 4.527 30 20 DJED Cc1ccc([C@H]2CCCCN2Cc2ccc(C#N)cc2F)cc1 1657513728 LQUHRPQEOLOLLZ-HXUWFJFHSA-N 308.400 4.733 30 20 DJED CC(=NNc1ccc(Cl)c(C(=O)O)c1)C1CCCCCC1 1776033713 VXQXSOULOFIKDG-UHFFFAOYSA-N 308.809 4.796 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1Cl 58660634 FGFNAGMRWKEUGJ-LLVKDONJSA-N 305.208 4.716 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)C1CCCCC1 66802379 HDODDZCQMNYRPH-CYBMUJFWSA-N 302.443 4.600 30 20 DJED C[C@@H](Nc1ccc(C#N)cc1F)c1cccc(C(F)(F)F)c1 72072991 DUDIQNASQVBXCY-SNVBAGLBSA-N 308.278 4.889 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)CCC(C)(C)C 78118444 JQMLFAQZAOWLHX-CYBMUJFWSA-N 304.459 4.703 30 20 DJED CCOc1ccccc1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 113539738 YQWWEMKJDAUGEQ-UHFFFAOYSA-N 323.396 4.530 30 20 DJED CC[C@@H](C#N)Oc1cccc(CNCc2ccc(C(C)C)cc2)c1 113960800 XYCNXBNBRWCLHO-FQEVSTJZSA-N 322.452 4.781 30 20 DJED CC(C)(C#N)CCCSCc1csc(-c2ccoc2)n1 161753072 DBDINVFVOAUSAH-UHFFFAOYSA-N 306.456 4.966 30 20 DJED N#Cc1ccc(F)cc1CSc1ccccc1Br 236215741 IRIZBUSGQRGKTC-UHFFFAOYSA-N 322.202 4.752 30 20 DJED CC[C@H](N[C@@H](c1ncccc1C)C(C)C)c1ccc(C#N)cc1 278908174 ZXQLROQYYAEJHX-RBUKOAKNSA-N 307.441 4.700 30 20 DJED CC(C)Oc1cccc(N[C@H](C)c2ccc(OCC#N)cc2)c1 296621130 WVYXALBSGITWAK-OAHLLOKOSA-N 310.397 4.549 30 20 DJED C[C@H](CC1CCCCC1)/C(O)=N/[C@H]1CCC(O)=NC12CCC2 328759608 WWGRSFNWPJRNQY-HIFRSBDPSA-N 306.450 4.591 30 20 DJED CC(C)CN(C(=O)c1ccc(C#N)s1)c1ccccc1Cl 411082556 BIRZIBGHSVEEAT-UHFFFAOYSA-N 318.829 4.576 30 20 DJED N#C[C@H]1CC[C@@H](N[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)C1 424336277 XOAVVJHSYBXGSW-NKKGCODLSA-N 322.374 4.623 30 20 DJED Cc1c(CN[C@@H]2CC[C@H](C#N)C2)sc2ccc(Cl)cc12 442854310 KSHHAAKIGUEAKI-WCQYABFASA-N 304.846 4.645 30 20 DJED C=CCCN(C)C(=O)c1sc2cc(Cl)ccc2c1Cl 466651816 QILDYQZVHFKIHZ-UHFFFAOYSA-N 314.237 4.856 30 20 DJED CC(C)(C#N)CCCN[C@H](Cc1ccccc1)c1ccccc1 471718125 TVFHMUVVAVLWBV-HXUWFJFHSA-N 306.453 4.890 30 20 DJED C=C(C)CN(CC)C(=O)Nc1cccc(COC(C)(C)C)c1C 475963787 ABIGTYLFTLDMDU-UHFFFAOYSA-N 318.461 4.740 30 20 DJED CCN(C(=O)CC1CCCCCC1)[C@H](C)c1ccc(C#N)cc1 495231231 UFOLJTKNGKATPV-MRXNPFEDSA-N 312.457 4.828 30 20 DJED N#CCCCCN[C@H](c1ccc(Br)cc1)C1CCC1 538174869 GYORDQHDCNGULI-INIZCTEOSA-N 321.262 4.574 30 20 DJED N#Cc1ccc(NC(=O)C2(Sc3ccccc3)CCCC2)cc1 561805552 SINBZEZCQNXFDE-UHFFFAOYSA-N 322.433 4.602 30 20 DJED CC(C)(C#N)CCSCc1ccc(OCC(F)(F)F)cc1 573877743 OGUJDLBOGMCWJW-UHFFFAOYSA-N 317.376 4.801 30 20 DJED CC1(C)CCC[C@H](c2noc(C[C@H](CC#N)c3ccccc3)n2)C1 580635031 UAOOAAMHZPHYAO-IRXDYDNUSA-N 323.440 4.993 30 20 DJED N#Cc1cc(F)ccc1CSc1nc2ccccc2s1 728440955 AMBLXYVWQPXDOD-UHFFFAOYSA-N 300.383 4.599 30 20 DJED CC(C)c1ccc2c(c1)C(=O)/C(=C/c1cccnc1Cl)CO2 728697004 HNLXPDRHZVWVMK-RIYZIHGNSA-N 313.784 4.517 30 20 DJED Cc1ccccc1C(=NNc1ccc(OC(F)F)cc1)C1CC1 731926807 RFAGEOUJYAMIAD-UHFFFAOYSA-N 316.351 4.823 30 20 DJED Cc1cccc(C(=O)/C=C/c2cccc(OCCCC#N)c2)c1C 734305214 MGHJAFVOLJLWMP-VAWYXSNFSA-N 319.404 4.882 30 20 DJED COc1ccc(/C=C2/CSc3ccccc3C2=O)cc1Cl 741471213 KAALWSAAUFUFAF-WQLSENKSSA-N 316.809 4.721 30 20 DJED CC(=NNc1c(F)cc(F)cc1Br)C1CCCC1 741767685 LMGKCRACOHGOTG-UHFFFAOYSA-N 317.177 4.705 30 20 DJED O=C1/C(=C\c2ccc(OC(F)F)cc2)Cc2cc(Cl)ccc21 742437040 IJAJJLAGKNCSFV-GHXNOFRVSA-N 320.722 4.764 30 20 DJED C#CCCCN[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 754950722 MBFZDVXYUYXTIN-LBPRGKRZSA-N 318.873 4.836 30 20 DJED FC(F)(F)c1ccccc1ON=C[C@H]1C[C@H]1c1ccccc1 755816451 QWQLJHOIIQRJLQ-KGLIPLIRSA-N 305.299 4.874 30 20 DJED N#Cc1ccc(/C=C2/Cc3cc(Cl)cc(Cl)c3C2=O)s1 764435009 ZTYKKEGOPQURPY-UITAMQMPSA-N 320.200 4.749 30 20 DJED Cc1cccc([C@H](C)C(=O)OCc2ccccc2C(C)(C)C#N)c1 768026031 AJFFNNSDCQYFAG-INIZCTEOSA-N 321.420 4.643 30 20 DJED C=CC[C@@H](N[C@H](CC)c1cc(C)ccc1OC)c1ccncc1 772457569 XQUNHCADAUIOOA-RTBURBONSA-N 310.441 4.757 30 20 DJED C=CCCN(C)C(=O)c1cc(-c2cccs2)nc2ccccc12 786672325 VVJWBAUGOPKHSO-UHFFFAOYSA-N 322.433 4.611 30 20 DJED O=C(/C=C\c1c(Cl)nc2cc(Cl)ccn12)c1cccs1 794691555 QKCQCBOIXGPLDS-ARJAWSKDSA-N 323.204 4.599 30 20 DJED CC(C)C[C@H](C)CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797572386 ZCZDRYNNGUWSIG-QWHCGFSZSA-N 306.475 4.689 30 20 DJED Cc1cc(C)cc(-c2nnc(SCC3(C#N)CCCC3)o2)c1 806585410 CMWRJCKATTUTAB-UHFFFAOYSA-N 313.426 4.530 30 20 DJED Cc1cc(Cl)cc([C@H](C)N[C@H](C)c2cccc(C#N)c2)c1O 808700299 KLGAXUKSFUAYSN-OLZOCXBDSA-N 314.816 4.638 30 20 DJED C/C(C=NOCCC(F)(F)F)=C\c1ccccc1OC(F)F 811649052 ZRDLWBJBPVQTTB-XMYDLDOCSA-N 323.261 4.646 30 20 DJED C#CCCCCC(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1 811938648 XKVKKEGTSVWRGB-UHFFFAOYSA-N 323.358 4.642 30 20 DJED N#Cc1cc(Cl)nc(NN=C2CCCCC23CCCC3)c1 814891439 UWSYZZOUPHZBKU-UHFFFAOYSA-N 302.809 4.509 30 20 DJED CN(C)Cc1cccc(C(=O)/C=C\c2csc3ccccc23)c1 821018131 WQDSFBRBXMVULZ-KHPPLWFESA-N 321.445 4.859 30 20 DJED CC(C)c1ccccc1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 857630375 VFYGDABAJGQRRJ-HNNXBMFYSA-N 306.409 4.515 30 20 DJED CC[C@@H](c1ccccc1)[S@@](=O)CCCCC1(C#N)CCC1 899285890 KIERCDZWNXOPTQ-UWJYYQICSA-N 303.471 4.751 30 20 DJED CC[C@@H](N[C@@H](C)c1cc(F)ccc1OC)c1cccc(C#N)c1 902753932 UYVHYIIEKAWWIJ-SCLBCKFNSA-N 312.388 4.508 30 20 DJED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccs2)cc1 915085500 CABHVRLLMFQSEY-KRWDZBQOSA-N 318.401 4.656 30 20 DJED O=C(/C=C/c1cccc(F)c1)c1sccc1Br 915113746 UHFPWCUCGMLSRW-SNAWJCMRSA-N 311.175 4.546 30 20 DJED O=C(/C=C\c1cc(Br)ccc1F)c1cccc(F)c1 916134477 MLKUBQQSWRNZIP-DAXSKMNVSA-N 323.136 4.623 30 20 DJED CC(C)c1ccc(SCC(=O)[C@H](C#N)c2ccccc2)cc1 917137295 ZURKKQJMWSYIEG-GOSISDBHSA-N 309.434 4.779 30 20 DJED CC(=NNc1ncccc1Cl)c1cc(Cl)sc1Cl 917546234 IAATWMXFRBLIMS-UHFFFAOYSA-N 320.632 4.939 30 20 DJED C=C(C)[C@H](CC(=O)Nc1ccc(C)c(Cl)c1Cl)OCC 1116399442 CWVNOLJIUBERTJ-LBPRGKRZSA-N 316.228 4.612 30 20 DJED Cc1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c(Cl)c1Cl 1129724566 IOIQYZAWODYGIC-MNOVXSKESA-N 312.196 4.541 30 20 DJED N#C[C@H]1CC[C@H](Sc2ncc(-c3ccc(Cl)cc3)[nH]2)C1 1190251240 WRTLXCVSULKSFQ-GWCFXTLKSA-N 303.818 4.514 30 20 DJED CCC[C@H](CC1CCCC1)C(=O)Nc1ccc(OCC#N)cc1 1339003488 PJNPBZXLIUGALY-MRXNPFEDSA-N 314.429 4.524 30 20 DJED CC(C)CC1(C)CCN(C(=O)CC2(C#N)CCCCC2)CC1 1468678377 MUPLCAKXZRUDKX-UHFFFAOYSA-N 304.478 4.525 30 20 DJED Cc1nc(N[C@@H](c2ccc(Cl)cc2)C2CCC2)ccc1C#N 1472689777 BKCWVPYVUIRINZ-GOSISDBHSA-N 311.816 4.868 30 20 DJED CCOCc1ccc(Nc2nc(C(C)(C)C)ccc2C#N)cc1 1472707749 KLBKEVSRXWGEIK-UHFFFAOYSA-N 309.413 4.531 30 20 DJED CCC[C@@H](CC(C)C)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 1520448344 IYWCQNHNLAZKLR-SFHVURJKSA-N 312.457 4.512 30 20 DJED CC(C)(Cc1cccc(Cl)c1)C(=O)O[C@@H]1CCC[C@H](C#N)C1 1525048975 POVOBXPZSRJQRX-GOEBONIOSA-N 319.832 4.534 30 20 DJED Cc1csc(NC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)c1C#N 1525497516 DUYUDLIZVCHOAD-WCQYABFASA-N 304.459 4.719 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)c1ccc(F)cc1Cl 1528747647 JIALKJRUFHQOIZ-UHFFFAOYSA-N 324.742 4.756 30 20 DJED CCOc1cccc([C@@H](CC)OC(=O)c2cccc(C#N)c2C)c1 1532025190 LKRCFEBIJZMSFR-LJQANCHMSA-N 323.392 4.574 30 20 DJED N#Cc1ccc(C(=O)N[C@H](CC2CCCC2)c2ccccc2)cc1 1534409096 JUSBANNDDSNMBK-HXUWFJFHSA-N 318.420 4.610 30 20 DJED C[C@@H]1CCCC[C@H]1C(=O)Nc1cc(C(C)(C)C)sc1C#N 1535489349 XZDCRYMIIIKEHM-VXGBXAGGSA-N 304.459 4.682 30 20 DJED Cc1cccc([C@H](C)CNc2nc(C(C)(C)C)ccc2C#N)c1 1559113447 KQRVCOHVRBKZRH-OAHLLOKOSA-N 307.441 4.775 30 20 DJED Cc1cc(COc2ccc(Br)cc2C#N)c(C)s1 1559386458 RBSWZPPROZMUBH-UHFFFAOYSA-N 322.227 4.578 30 20 DJED C[C@H]1CN([C@H](C#N)c2ccccc2)CCc2ccc(Cl)cc21 1619638726 GBGUNVMTBFQJEB-IFXJQAMLSA-N 310.828 4.566 30 20 DJED Cc1cc(NC(=O)c2cc(F)c(C#N)c(F)c2)c2ccccc2c1 1627916302 JHPYXJYTZSIABG-UHFFFAOYSA-N 322.314 4.550 30 20 DJED Cc1cc(C#N)ccc1CN1c2ccccc2S[C@H](C)[C@@H]1C 1642123344 MJBOXDBXSXRPLF-LSDHHAIUSA-N 308.450 4.756 30 20 DJED Cc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)c(Cl)c1 1645016155 UZNGSHJYYCMGLW-UHFFFAOYSA-N 310.828 4.685 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CC[C@H](Cc2ccccc2)C1 1652372435 ULRSWVPKIPFLDR-AGHHOFFYSA-N 316.448 4.547 30 20 DJED CC(C)(C#N)CCN(Cc1c(F)cccc1F)C1CCCC1 1657280869 SAIILTQIZMESMD-UHFFFAOYSA-N 306.400 4.649 30 20 DJED COc1cc(C#N)ccc1CN1CCCC[C@H]1c1ccc(C)cc1 1657402269 GQBLLYBDBAAVSV-FQEVSTJZSA-N 320.436 4.603 30 20 DJED CC(C)(C)[C@@H]1CCC[C@H](NCc2ccc(OCC#N)cc2)CC1 1661368094 ZKWVEWJEAJRSIV-MSOLQXFVSA-N 314.473 4.674 30 20 DJED Cc1c(NN=C2C[C@@H](C)CC[C@H]2C(C)C)cccc1C(=O)O 1776086466 WBLFWHTZAMQZLZ-JSGCOSHPSA-N 302.418 4.553 30 20 DJED CCOc1cccc2cc([C@H](C)NCc3ccc(C#N)cc3)oc12 53143908 HAJCTHRLHJIUBF-AWEZNQCLSA-N 320.392 4.554 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2cccc(Cl)c2Cl)cc1 96766308 LKMPQVFLGYDGPS-HJWRWDBZSA-N 302.160 4.761 30 20 DJED C[C@H](C#N)Oc1ccc(CNc2ccc3ccccc3c2)cc1 155601433 JELDMKOHMPHQMM-OAHLLOKOSA-N 302.377 4.743 30 20 DJED CC(C)(C)[C@@H](NCc1ccc(C#N)s1)c1cccc(F)c1 178614656 RPASYNVXVUNXCF-INIZCTEOSA-N 302.418 4.636 30 20 DJED C[C@H](Nc1cccc(COCC2CC2)c1)c1cccc(C#N)c1 180294534 XSPFONZQTCXISJ-HNNXBMFYSA-N 306.409 4.658 30 20 DJED C[C@@H](NCc1ccc(F)c(C#N)c1)c1cc(Cl)ccc1Cl 186184342 NAXLILATSCGTFG-SNVBAGLBSA-N 323.198 4.855 30 20 DJED N#Cc1cccc(CN[C@@H](c2ccc(Cl)cc2)C2CCC2)c1 237797454 NKMIMCGVJQDRRR-LJQANCHMSA-N 310.828 4.843 30 20 DJED Cc1cccc(C)c1CNc1ccc(C#N)c(Br)c1 311344505 JQVVFTBZTZRLQO-UHFFFAOYSA-N 315.214 4.550 30 20 DJED O/C(=N/C1(c2ccccc2)CCCCC1)c1ncoc1C1CC1 328891607 SSTGKRMSWWUSME-UHFFFAOYSA-N 310.397 4.716 30 20 DJED O/C(CCc1nc2ccccc2o1)=N/[C@@H]1CC[C@@H]2CCC[C@@H]2C1 329596414 IOVHNMVTZVXMHH-RRFJBIMHSA-N 312.413 4.686 30 20 DJED C[C@H](/N=C(/O)[C@H]1CCCCS1)c1ncc(-c2ccccc2)o1 329667958 RUPKDZOLZIPPQE-SWLSCSKDSA-N 316.426 4.645 30 20 DJED Cc1nc(/C(O)=N/[C@@H](c2ccccc2C)C(C)(C)C)c(C)o1 330511324 RFXNFWNIRKVCNP-INIZCTEOSA-N 300.402 4.692 30 20 DJED CC(C)CCN(CCC#N)Cc1cccc(-c2ccccn2)c1 353416549 NYMZYDBRBNCDTB-UHFFFAOYSA-N 307.441 4.510 30 20 DJED Cc1ccc(C2CC2)c(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 424573726 IWGMXZVLWRZSQH-UHFFFAOYSA-N 318.420 4.926 30 20 DJED C=CCC[C@@H](Nc1ccc2nc(N(C)C)oc2c1)c1ccco1 428449616 SPMKNQHJNKGOSJ-CQSZACIVSA-N 311.385 4.606 30 20 DJED CCN(Cc1ccc(C#N)cc1Cl)[C@H](C)c1ccc(C#N)cc1 439428659 YZSPVQOETPYTQU-CQSZACIVSA-N 323.827 4.666 30 20 DJED N#CCCCCN[C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 442774420 AIYBTEZRCDMCSB-ZBFHGGJFSA-N 310.363 4.625 30 20 DJED CC(C)c1ccc([C@@H](C)NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1 461737119 NEIKXRITZSYDBR-JKSUJKDBSA-N 320.436 4.663 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1ccc(COC2CCCC2)cc1 467999870 HNSOUDHURNJGDN-IBGZPJMESA-N 301.430 4.687 30 20 DJED CC(C)Oc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1 474899145 YWKHSSDDRWKNRO-UHFFFAOYSA-N 322.408 4.527 30 20 DJED C=C(C)CN(C)C(=O)Nc1cc(F)ccc1Oc1ccccc1 477471955 PKHGVQLWCAOQQX-UHFFFAOYSA-N 314.360 4.658 30 20 DJED N#Cc1ccc(CNc2ccc(COC3CCCC3)cc2)cc1F 479458831 YWCRKJBLZXBARL-UHFFFAOYSA-N 324.399 4.769 30 20 DJED Cc1ccc(NCc2cccc(OCCCC#N)c2)c(Cl)c1 503002230 CNFFUWSGTJRFGC-UHFFFAOYSA-N 314.816 4.943 30 20 DJED C=C(C)COc1cccc(NC(=O)c2cccc(C(F)F)c2)c1 511890025 MGILPEHCBFUWOH-UHFFFAOYSA-N 317.335 4.831 30 20 DJED C[C@@H](NCC1(c2cccc(Cl)c2)CC1)c1cccc(C#N)c1 540595450 URWUZOLZEQKMCU-CQSZACIVSA-N 310.828 4.594 30 20 DJED CCOc1cc(Cl)ccc1N[C@@H](C)c1cccc(C#N)c1 540789803 UIWHJFLIDNVXDS-LBPRGKRZSA-N 300.789 4.783 30 20 DJED N#CCC1CCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1 541978110 FOLMCWBSVRJICV-UHFFFAOYSA-N 310.441 4.500 30 20 DJED N#Cc1ccc(C(=O)N2CCCCCc3ccccc32)cc1Cl 548305882 XWRYRNYNACBWNH-UHFFFAOYSA-N 324.811 4.585 30 20 DJED CCCCOc1ccc(OC)cc1N[C@@H](C)c1cccc(C#N)c1 600848815 LBOWMFUERRTFDR-HNNXBMFYSA-N 324.424 4.919 30 20 DJED N#Cc1ccc(CN(Cc2ccc(Cl)cc2)C2CC2)c(F)c1 603855160 LATBHMVEADHMKG-UHFFFAOYSA-N 314.791 4.515 30 20 DJED C[C@H](Nc1cc(C#N)c2ccccc2n1)c1c(F)cccc1F 609894704 FNDNPRZNBMVZRL-NSHDSACASA-N 309.319 4.558 30 20 DJED Cc1cccc(-c2nnc(SCc3ccc(C#N)cc3C)o2)c1 614396799 PTSGZCQPHFCSSK-UHFFFAOYSA-N 321.405 4.517 30 20 DJED CC[C@H](N[C@@H]1CCCOc2cc(F)ccc21)c1ccc(C#N)cc1 618574738 IVYJEPSZLMGKFV-RBUKOAKNSA-N 324.399 4.652 30 20 DJED C=CCC(C)(C)CNC(=O)Nc1ccc(OC(C)C)cc1C 644989167 DLVLZSHKFVHMSH-UHFFFAOYSA-N 304.434 4.506 30 20 DJED CC(C)c1ccc(C(=O)/C=C/c2ccc(O[C@H](C)C#N)cc2)cc1 728699701 IPLSPCKQCPUXLC-MSXUNZPYSA-N 319.404 4.997 30 20 DJED Cc1cc(C=NNc2ccc(F)cc2)ccc1Oc1cccnc1 732710180 GVWHGEWRZIRCGK-UHFFFAOYSA-N 321.355 4.767 30 20 DJED CCOc1ccc(C=Nc2cccc(SCC)c2)c(O)c1 733750262 RGKYJRUESYRVCE-UHFFFAOYSA-N 301.411 4.654 30 20 DJED CCCCCCCCCCC(=O)N1CCOC[C@H]1c1ccco1 735024817 IPLHIZSFNOEVHR-KRWDZBQOSA-N 321.461 4.710 30 20 DJED O=C(/C=C/c1cc(F)ccc1F)c1cccc(-c2ccncc2)c1 741471481 AGAZNEOBVJNDMP-QPJJXVBHSA-N 321.326 4.923 30 20 DJED COc1ccc(C)cc1/C=C/C(=O)c1ccc(OC(F)F)cc1 747003518 IQQXYAZBSPICIJ-RMKNXTFCSA-N 318.319 4.501 30 20 DJED COc1cc(C(=O)/C=C/c2cc3ccccc3s2)ccc1O 758427236 WABATUGWPQMOID-VQHVLOKHSA-N 310.374 4.512 30 20 DJED CCC(CC)CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 759538866 MFGLAILGAQMGFS-GFCCVEGCSA-N 320.845 4.952 30 20 DJED O=C1/C(=C/c2ccc(C(F)(F)F)s2)Cc2c(F)cccc21 761475809 GDLFVHWUCZMENN-SOFGYWHQSA-N 312.287 4.728 30 20 DJED Clc1ccc(Br)cc1C=NNc1ccccc1 767744761 UCBBUWREUJWIST-UHFFFAOYSA-N 309.594 4.549 30 20 DJED CC(C)(C)c1ncc(/C=C\C(=O)c2ccc(O)c(Cl)c2)s1 768753679 ZDDGZWZIOILSMZ-ALCCZGGFSA-N 321.829 4.696 30 20 DJED O=C(/C=C/c1cccc2nccn12)c1ccc(Cl)c(Cl)c1 771281059 IVKQPXKIEKIFHM-FNORWQNLSA-N 317.175 4.537 30 20 DJED COc1ccc(C(C)=NOCCC(F)(F)F)c2ccccc12 777464242 RPZUUYQNVYVGSK-UHFFFAOYSA-N 311.303 4.541 30 20 DJED CCC(=NNc1ccc(Cl)nn1)c1cccc2ccccc12 780188935 RYNMVQMGLFHMRO-UHFFFAOYSA-N 310.788 4.509 30 20 DJED C=CCCCCC[C@H](C)N[C@@H](C)c1ccc([S@@](C)=O)cc1 793545362 BMFGBVCIBUZUHB-CKJXQJPGSA-N 307.503 4.600 30 20 DJED Clc1cccc(Cl)c1NN=C1CCCC12CCOCC2 799881348 OSAPOPCWHDABOS-UHFFFAOYSA-N 313.228 4.742 30 20 DJED C#CCCOc1ccc(CNCc2ccc3sccc3c2)cc1 810160095 UBGAJIKFEURONQ-UHFFFAOYSA-N 321.445 4.593 30 20 DJED C[C@@H](CCC#N)CNc1ccc(CC[C@H](O)c2ccccc2)cc1 876859092 BLKWDKMTQCRHMO-UWJYYQICSA-N 322.452 4.705 30 20 DJED CCC(=NNc1ncnc2sc(C)c(C)c12)c1ccccc1 916310197 UFNLZODMMWMBLL-UHFFFAOYSA-N 310.426 4.534 30 20 DJED CCc1ccc(C(=O)/C=C\c2cn3cc(Cl)ccc3n2)s1 920755620 PCTQDCBEURXOJL-XQRVVYSFSA-N 316.813 4.508 30 20 DJED CCOc1cccc(C=Nc2ccc(N3CCCCC3)cc2)c1O 920942940 VENLHZJEDGWFFE-UHFFFAOYSA-N 324.424 4.532 30 20 DJED Oc1ccc2ccccc2c1/C=N\Cc1nc2ccccc2s1 920944356 VHQCRUIWHPQMKV-JAIQZWGSSA-N 318.401 4.774 30 20 DJED C=CCCO[C@@H](C)C(=O)O[C@H](C)c1ccc(Cl)c(Cl)c1 921218920 MOFFKHGDUOQOTD-MNOVXSKESA-N 317.212 4.579 30 20 DJED C[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 1125470062 MEGHNUBQXLKCNT-ZBFHGGJFSA-N 320.392 4.725 30 20 DJED CCc1ccc([C@H](C)CC(=O)N(CCC#N)C(C)(C)CC)cc1 1128304021 BXGLPOLVCVCVMJ-MRXNPFEDSA-N 314.473 4.673 30 20 DJED Cc1nc(C#N)cc(N[C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)n1 1163139273 DZRKVUSWFYGURA-LJQANCHMSA-N 322.456 4.763 30 20 DJED CC(C)(C)[C@@H]1CN(CCOc2cccc(C#N)c2)c2ccccc21 1169843525 GDUPAAYPQWAJEW-LJQANCHMSA-N 320.436 4.587 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1C/C=C/c1ccc(F)cc1 1179961840 IOWFWUGATUQNBZ-BMAGUTBCSA-N 320.411 4.611 30 20 DJED Cc1cc(C#N)cc(NC(=O)C[C@H](c2ccccc2)C(C)C)c1 1275796947 NBZBLXNHDLZCAX-IBGZPJMESA-N 306.409 4.635 30 20 DJED C=CCCOCCCCC(=O)Nc1c(C)cc(Cl)cc1C 1319827576 SVXNQYJQTHKKND-UHFFFAOYSA-N 309.837 4.658 30 20 DJED N#Cc1cc(SC(c2ccccc2)c2ccccc2)ccn1 1472636763 SSOUXSJYVTXVTH-UHFFFAOYSA-N 302.402 4.835 30 20 DJED C[C@H](CCC#N)CN1CCC(Sc2ccc(Cl)cc2)CC1 1474320865 SEQFEESVQHEOFV-CQSZACIVSA-N 322.905 4.836 30 20 DJED CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(C#N)c1 1526210823 IZWUPLBWNXLULX-GOEBONIOSA-N 318.848 4.546 30 20 DJED CC(C)(C)C1CCC(CC(=O)O[C@H]2CCC[C@H](C#N)C2)CC1 1528490644 RCVISIJADSIHLQ-XGHPGWEVSA-N 305.462 4.855 30 20 DJED CC(F)(F)c1ccc(C(=O)Nc2ccc(C#N)cc2Cl)cc1 1544256137 UBOLUOSDGAJERA-UHFFFAOYSA-N 320.726 4.576 30 20 DJED CCC(CC)[C@H](C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1587913909 IMJVLFADKQCIBA-ZDUSSCGKSA-N 316.445 4.746 30 20 DJED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)Nc1cc(C#N)ccc1F 1596936980 VSYBJOWIAZSSEE-UKRRQHHQSA-N 322.383 4.625 30 20 DJED Cc1cc(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)ccc1C#N 1620759136 KQOORYBQUSSBEN-IBGZPJMESA-N 310.416 4.883 30 20 DJED N#Cc1sc(NC[C@@H]2CCC[C@H]2c2ccccc2)nc1Cl 1639960670 WNAGYKVSVXWHEV-STQMWFEESA-N 317.845 4.664 30 20 DJED Cc1nc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)ccc1C#N 1650752496 DHIAJVKOKBHRFS-SDDDUWNISA-N 311.816 4.724 30 20 DJED CC[C@@H](Cc1ccccc1)N(CC)Cc1ccc(CC#N)cc1 1652873508 IYBPYJUHDAGBDV-NRFANRHFSA-N 306.453 4.596 30 20 DJED Cc1ccc([C@@H]2CCN([C@H](C)c3ccc(C#N)cc3)C2)c(C)c1 1654361978 DGLYSJGBJCEDNQ-YLJYHZDGSA-N 304.437 4.726 30 20 DJED CC(C)(C)[C@H]1CN(C(=O)Nc2ccc(C#N)cc2)c2ccccc21 1666342350 BSRGWQRLXKNKAZ-KRWDZBQOSA-N 319.408 4.740 30 20 DJED O=C(O)c1cc(NN=CCC[C@@H]2C[C@H]3CC[C@H]2C3)ccc1Cl 1776033590 DWWCAPKAPSLSOA-UPJWGTAASA-N 320.820 4.652 30 20 DJED N#Cc1ccc(C(=O)CSc2cc(Cl)ccc2Cl)cc1 18951096 XPFINNJYCDJDFT-UHFFFAOYSA-N 322.216 4.840 30 20 DJED C[C@@H]1C[C@H]1c1ccc(CN(Cc2cc(C#N)ccc2F)C2CC2)o1 30152780 HKHPBHAQXYCOCX-FZKQIMNGSA-N 324.399 4.578 30 20 DJED COc1cccc(/C=C/C(=O)c2cc3cc(Cl)ccc3o2)c1 96887909 CIHKPBKREMFNFX-FNORWQNLSA-N 312.752 4.991 30 20 DJED CCOc1ccc([C@@H]2CCCN2CC(C)(C)CCC#N)cc1 120884630 PJBMHPAWLFFXJU-SFHVURJKSA-N 300.446 4.552 30 20 DJED C[C@@H](SCCCC(C)(C)C#N)c1nc(-c2ccccc2)no1 161957984 URUGNGZWPGUYBR-CYBMUJFWSA-N 315.442 4.861 30 20 DJED C[C@H](NCc1cc(F)cc(C(F)(F)F)c1)c1ccc(C#N)cc1 161988251 HBAJIDKJDOAQBJ-NSHDSACASA-N 322.305 4.567 30 20 DJED N#Cc1csc(CNc2cc(Cl)cc(C(F)(F)F)c2)c1 168986463 BYCLYOZGVUHJJK-UHFFFAOYSA-N 316.735 4.904 30 20 DJED C=CCC[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 182043362 WLDSWQIAAOCIDB-LAUBAEHRSA-N 320.436 4.947 30 20 DJED CC(C)c1nccn1Cc1cccc(N[C@@H]2CCC[C@H](C#N)C2)c1 185727628 UIYCYZVCYARHMU-FUHWJXTLSA-N 322.456 4.549 30 20 DJED N#Cc1cccc(CSc2ccccc2Br)c1F 222343480 VDQMMZYCOGYBFY-UHFFFAOYSA-N 322.202 4.752 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C)s1 301749580 NHTTWBKYLRRBHA-UHFFFAOYSA-N 311.859 4.600 30 20 DJED N#Cc1cc(Br)ccc1OCC1CCCCCC1 302357886 KQCLRPYLCIPUGB-UHFFFAOYSA-N 308.219 4.670 30 20 DJED CC[C@H](C)C[C@@H](C)Nc1cc(Br)c(C#N)cc1F 310658128 RPXBMYYFJVRMBA-VHSXEESVSA-N 313.214 4.696 30 20 DJED CC(C)C1CCC(Nc2ccc(C#N)c(Br)c2)CC1 311356000 NJACMONEDNETMA-UHFFFAOYSA-N 321.262 4.947 30 20 DJED CC1(C)CC[C@H](Nc2ccc(OCC#N)cc2)c2ccccc21 319813423 KZDZAWXPEZEZFG-IBGZPJMESA-N 306.409 4.814 30 20 DJED Cc1ccc2c(c1)CC[C@@H]2/N=C(/O)CC/C(O)=N/C1CCCC1 328745696 AGKUTUZYDPWUDG-KRWDZBQOSA-N 314.429 4.618 30 20 DJED C[C@@H](CCC#N)N[C@@H](C)c1cccc(OCc2ccccc2)c1 411634857 MFDOYLIMRNGLMX-IRXDYDNUSA-N 308.425 4.608 30 20 DJED C=CCC[C@@H](NC(=O)c1ccc(F)c(F)c1F)c1ccccc1 435269202 QNODUGIRLAKAOZ-OAHLLOKOSA-N 319.326 4.541 30 20 DJED C=CCCN(C)C(=O)Nc1cc(C)ccc1OCc1ccccc1 442491307 XKGCDBNAXGXZDN-UHFFFAOYSA-N 324.424 4.614 30 20 DJED N#Cc1cccc(/C=C\c2nc(-c3coc4ccccc34)no2)c1 445580449 VYRXNLLXOILLRG-HJWRWDBZSA-N 313.316 4.525 30 20 DJED CCC(CC)CN(CC)C(=O)Nc1ccc(CC#N)cc1Cl 455700675 ISXGYZJMRMHQNL-UHFFFAOYSA-N 321.852 4.696 30 20 DJED C=CCCC(=O)Nc1cc(Cl)ccc1NCc1ccccc1 466447623 BZYOUHGPIKOUAW-UHFFFAOYSA-N 314.816 4.857 30 20 DJED C=C[C@](C)(CC)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 467119968 MXXHKHIOCGTBIJ-OAHLLOKOSA-N 300.229 4.554 30 20 DJED N#C[C@@H]1CCC[C@@H](N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 467445171 YKZLSIWPVILFIM-NMFUWQPSSA-N 323.267 4.911 30 20 DJED Cc1csc(CSc2nc(-c3ccccc3)ccc2C#N)n1 477523707 GPFOJICRLNNJDZ-UHFFFAOYSA-N 323.446 4.678 30 20 DJED C[C@H](c1ccccc1F)N(C)Cc1ccccc1C(C)(C)C#N 487391774 GEQCODQWPXNDTF-OAHLLOKOSA-N 310.416 4.820 30 20 DJED Cc1nc(N[C@H]2CCSc3ccc(Cl)cc32)ccc1C#N 487909039 LVCJCDLTHZVEQD-AWEZNQCLSA-N 315.829 4.564 30 20 DJED C=CCC[C@H](C(=O)N[C@H]1CCC[C@H](SC)C1)c1ccccc1 488972737 DYEPGEZUMGMENS-BZSNNMDCSA-N 317.498 4.527 30 20 DJED C=CCN(Cc1ccccc1)Cc1cnc(-c2ccco2)s1 495080771 RKODTTIVXURNMI-UHFFFAOYSA-N 310.422 4.591 30 20 DJED C=CCN(Cc1ccccc1)C(=O)c1cc2cccc(C)c2o1 497796982 NYLUNGNRRONYNQ-UHFFFAOYSA-N 305.377 4.570 30 20 DJED C[C@@H]1CCC[C@H](CC(=O)Nc2sc3c(c2C#N)CCCC3)C1 504354987 GIPOMHXOOBSLAO-OLZOCXBDSA-N 316.470 4.653 30 20 DJED CC[C@H](CC(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 504382472 UJQMQFKMHPPSNZ-CYBMUJFWSA-N 312.800 4.734 30 20 DJED CCn1c2ccccc2c2cc(NC(=O)[C@@](C)(C#N)CC)ccc21 505917644 SOUOJWFHHSLZRE-HXUWFJFHSA-N 319.408 4.693 30 20 DJED CCC[C@@H](C)CC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 505991871 OFUCQTRNKKZNGL-QMTHXVAHSA-N 313.228 4.501 30 20 DJED C=CCCC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 523225674 DKDJEAWQPROCDN-UHFFFAOYSA-N 322.433 4.792 30 20 DJED C=CCN(C(=O)C[C@H](C)CC(C)C)c1nc2c(s1)CCCC2 524088570 JGURDPZWOQDFNF-CQSZACIVSA-N 320.502 4.613 30 20 DJED N#Cc1ccc(C[S@](=O)c2ccc(C3CCCCC3)cc2)cc1 530864266 FWUIAWQILGYWRT-QHCPKHFHSA-N 323.461 4.914 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1ccn(C(CC)CC)n1 533002293 IMSHSZYGCSPQLU-UHFFFAOYSA-N 324.472 4.528 30 20 DJED CC(C)Sc1ccccc1NCc1cccc(C#N)c1F 543151799 LRFUENVVYZBCCT-UHFFFAOYSA-N 300.402 4.810 30 20 DJED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cc2c(s1)CCCC2 551805743 YFPAKODCOJCPCL-CQSZACIVSA-N 322.477 4.838 30 20 DJED N#Cc1cccc(C2(N[C@@H]3CCCc4c(Cl)cccc43)CC2)c1 560265672 PWJXFOONBLTANE-LJQANCHMSA-N 322.839 4.868 30 20 DJED CC1(C)CCC(c2noc(C[C@H](CC#N)c3ccccc3)n2)CC1 561940678 BILUTJQTWHGSOP-KRWDZBQOSA-N 323.440 4.993 30 20 DJED N#CC[C@@H](Cc1nc(C2CCCCCC2)no1)c1ccccc1 563536908 QVOLJFCKPYGVBP-KRWDZBQOSA-N 309.413 4.747 30 20 DJED C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCCC[C@@H]1CCC 590639053 CWVRPFJFUIRGPH-DOTOQJQBSA-N 320.502 4.805 30 20 DJED N#CCC1(CSCc2nc(-c3ccccc3)cs2)CC1 596355572 FSUJIFDGAXEMNV-UHFFFAOYSA-N 300.452 4.737 30 20 DJED CC[C@H](C)[C@@H](C(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 610362613 QKDINEAOECPENE-TWOQFEAHSA-N 320.436 4.565 30 20 DJED CC[C@@H](NCc1cc2c(s1)CCCC2)c1ccc(C#N)cc1 618566885 PWRQYAKDZLBTMU-GOSISDBHSA-N 310.466 4.739 30 20 DJED C=C[C@H](CC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C)c1ccccc1 677562609 GFJBEXHPBSBHRX-WAOWUJCRSA-N 319.448 4.751 30 20 DJED CCCCCC[C@H](C)CC(=O)N(C)Cc1ccc(C#N)cc1 727662951 ANCBFIJKSLEKDV-INIZCTEOSA-N 300.446 4.513 30 20 DJED O=C(/C=C/c1ccc(Cl)nc1)c1ccc(-c2ccccc2)o1 761804195 MDPJIAWEOHJBTH-SOFGYWHQSA-N 309.752 4.891 30 20 DJED CCC(CC)[C@H](C)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 762062706 NMZDGIYMJHRCRQ-GWCFXTLKSA-N 318.417 4.684 30 20 DJED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC[C@H](C)C3)n2)cc1 776517673 RMGQOWPBZZHMQP-CWRNSKLLSA-N 324.449 4.731 30 20 DJED C[C@H](N[C@H](C)CC1CCCCC1)c1ccc(OCC#N)cc1 786951266 BDTAUZREHKQZFL-CVEARBPZSA-N 300.446 4.598 30 20 DJED Cc1cccc(C(=O)/C=C\c2cnc(-c3ccco3)s2)c1C 789143773 SBPJKQJURASQNW-HJWRWDBZSA-N 309.390 4.916 30 20 DJED CCCCCCCC[S@](=O)Cc1ccn(C2CCCC2)n1 790139304 LARKPZNUUMYDBY-NRFANRHFSA-N 310.507 4.607 30 20 DJED C=CCC1(C(=O)Oc2ccc(Oc3ccccn3)cc2)CCC1 792525701 QPERZLHNDJXZCZ-UHFFFAOYSA-N 309.365 4.526 30 20 DJED C=CCCCCC[C@@H](C)N[C@@H](C)c1cccc(NC(C)=O)c1 793516665 LOWAXHQDVGVBRN-CVEARBPZSA-N 302.462 4.821 30 20 DJED C=CCN(C(=O)N[C@@H](CC(C)(C)C)c1ccccc1)C(C)C 918069018 IAUABVHCONFRBY-KRWDZBQOSA-N 302.462 4.770 30 20 DJED CCCCCCCCCN(C)C(=O)c1scnc1Cl 919757624 ZFYBNCVPDWGERQ-UHFFFAOYSA-N 302.871 4.619 30 20 DJED CC(C)Oc1cccc(/C=C\C(=O)c2ccc(F)cc2F)c1 921261742 ONOGFCIYJIQUTJ-TWGQIWQCSA-N 302.320 4.648 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2sc3cc(F)ccc3c2C)c1 1129809956 XKIOFASWNZBLRS-UHFFFAOYSA-N 324.380 4.781 30 20 DJED Cc1oc(C(C)C)cc1C(=O)N(c1ccccc1C#N)C1CCC1 1131149141 FXISITQICMYLKQ-UHFFFAOYSA-N 322.408 4.782 30 20 DJED CC[C@H]1CC[C@@H](C)N1C(=O)Nc1scc(C(C)(C)C)c1C#N 1218513982 LGTDONXYXDFPRF-NEPJUHHUSA-N 319.474 4.712 30 20 DJED C[C@H]1CCC[C@@H]1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1349230606 SKWMDRBARDEPIC-FRRDWIJNSA-N 316.470 4.509 30 20 DJED CC(C)[C@H]1CC[C@H](C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1 1461080421 QDINGBRLXJBRMN-SZMVWBNQSA-N 312.457 4.540 30 20 DJED CN(Cc1ccc(Cl)cc1Cl)Cc1cccc(F)c1C#N 1474319888 RLHUEWDGAQSOBL-UHFFFAOYSA-N 323.198 4.636 30 20 DJED Cc1cccc(-c2cccc(C(=O)O[C@@H]3CCC[C@@H](C#N)C3)c2)c1 1535478468 DLVZJMQYVCYXGV-OXQOHEQNSA-N 319.404 4.901 30 20 DJED Cc1c(Cl)cccc1C(=O)N(c1cccc(C#N)c1)C1CCC1 1538989183 GHDUJOQWUNUGHU-UHFFFAOYSA-N 324.811 4.719 30 20 DJED CC(C)c1ccc(SCC(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1 1584703688 WJRJGNZAAVODGH-ZBFHGGJFSA-N 317.454 4.528 30 20 DJED CCCOc1cccc(CN(C)[C@H](C)c2cccc(C#N)c2)c1 1643523151 OSJMTLRVAFTFED-MRXNPFEDSA-N 308.425 4.540 30 20 DJED C[C@H]1CN(c2c(C#N)cnc3c(Cl)cccc23)CC(C)(C)C1 1650907197 QTGNJMOCBXZKNW-GFCCVEGCSA-N 313.832 4.632 30 20 DJED Cc1cc(CNc2snc(C)c2C#N)ccc1-c1ccccc1 1651775879 IGSYJICXWRFESA-UHFFFAOYSA-N 319.433 4.911 30 20 DJED Cc1cc2cc(CNc3nc(C(C)(C)C)ccc3C#N)ccc2[nH]1 1651824174 FTGKUDDIHJUJEW-UHFFFAOYSA-N 318.424 4.653 30 20 DJED CCOC(=O)Nc1ccc(N[C@H]2CCCC(C)(C)C2)cc1C#N 1652177438 ZXYLJLDELLCYLU-HNNXBMFYSA-N 315.417 4.507 30 20 DJED N#CC1(CCN2CCC[C@@H]2c2cccc(F)c2)CCCCC1 1652310635 MGGULQLYXICYOW-GOSISDBHSA-N 300.421 4.827 30 20 DJED CCC[C@H]1CCc2ccccc2N1Cc1ccc(C#N)cc1OC 1653689968 SJDBONRKPMPAMC-IBGZPJMESA-N 320.436 4.688 30 20 DJED CC(C)c1cccc2c1N(Cc1ccc(F)c(C#N)c1)CCC2 1654748952 TXAAAUQJAJUCSU-UHFFFAOYSA-N 308.400 4.774 30 20 DJED Cc1ccc(CSc2nc3c(cc2C#N)CCCC3)cc1F 1656197455 JKGRIARODQMBPR-UHFFFAOYSA-N 312.413 4.572 30 20 DJED Cc1cc(F)c(C(F)(F)F)cc1N[C@@H]1CCC[C@@H](C#N)C1 1659946548 NOYZUENFGCTAJH-GHMZBOCLSA-N 300.299 4.647 30 20 DJED Cc1cc(Br)c(CNc2cccc(C#N)c2C)s1 1662557068 ZXSTVTYDDPKYHT-UHFFFAOYSA-N 321.243 4.611 30 20 DJED CSc1ccc(/C=C/C(=O)c2c(C)nn(C(C)C)c2C)cc1 63874995 LFTSPZMVMDWPNL-DHZHZOJOSA-N 314.454 4.699 30 20 DJED CCCC(C)(C)NC(=O)Nc1ccccc1S[C@H](C)CC#N 116500566 FIYMNYWMXGDMAM-CYBMUJFWSA-N 319.474 4.781 30 20 DJED O=C(/C=C/c1cccc(F)c1)c1ccc(N2CCCCC2)cc1 164450909 MGYXWPVZTLESGW-KPKJPENVSA-N 309.384 4.712 30 20 DJED Cc1cscc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 176576152 MVOOINFXTAIOBW-LBPRGKRZSA-N 316.451 4.703 30 20 DJED C[C@H](Nc1cccc(OCCCC#N)c1)c1ccccc1N(C)C 179818971 ANAPZSOERQFYSX-INIZCTEOSA-N 323.440 4.608 30 20 DJED Cc1cc([C@@H](C)NCc2ccc(Cl)cc2C#N)c(C)s1 187414316 WJOSNSRVVPTSFF-LLVKDONJSA-N 304.846 4.741 30 20 DJED CCCCCCCC[S@](=O)Cc1cc(-c2ccco2)on1 190798584 MOSFCRYANKSGJF-NRFANRHFSA-N 309.431 4.544 30 20 DJED COc1cccc(OC)c1SCc1ccc(Cl)cc1C#N 191226276 KVDLPNYZBOFQIL-UHFFFAOYSA-N 319.813 4.521 30 20 DJED CCc1nc2c(s1)[C@H](N(C)CCCCC(C)(C)C#N)CCC2 409447359 VAQXJBBTPJJYTD-OAHLLOKOSA-N 319.518 4.735 30 20 DJED C=CCC(C)(C)C(=O)Nc1cccc(Br)c1Cl 410839521 CKFNZNGUVWTKJA-UHFFFAOYSA-N 316.626 4.643 30 20 DJED C[C@H](C#N)N(Cc1ccsc1)Cc1cccc(C(F)(F)F)c1 425366715 QNELVGAMJWLCKT-GFCCVEGCSA-N 324.371 4.681 30 20 DJED N#Cc1ccc(F)c(CSc2nc(-c3ccccc3)co2)c1 436252975 NEEGOQSYILJGDG-UHFFFAOYSA-N 310.353 4.645 30 20 DJED N#Cc1ccccc1Oc1ccc(NC(=O)C2CCCC2)cc1F 437462150 MNUIMAGPZSKEGW-UHFFFAOYSA-N 324.355 4.618 30 20 DJED Cc1ccc(Cl)c(Oc2ccc(C(F)(F)F)c(C#N)n2)c1 443410015 YXHDEBXIPCXDNY-UHFFFAOYSA-N 312.678 4.726 30 20 DJED CCCC(C#N)(CCC)NC(=O)c1ccccc1CSCC 448252257 NGAMVHKZMDCYBP-UHFFFAOYSA-N 318.486 4.532 30 20 DJED Cc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c(C(C)C)n1 448668210 NPIGYBKNIZNZNT-UHFFFAOYSA-N 321.424 4.567 30 20 DJED C=CCOc1ccc(CC(=O)Nc2c(CC)cccc2CC)cc1 448762077 WWFDJCGWGXEVLF-UHFFFAOYSA-N 323.436 4.557 30 20 DJED CC1(C#N)CCC(N[C@@H](CCc2ccccc2)C(F)(F)F)CC1 449222907 FAWMDLDFXMYNRX-CGZBRXJRSA-N 324.390 4.612 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cccc(Cl)c1 481652588 SKOTZFAPWLZQOY-IBGZPJMESA-N 310.828 4.769 30 20 DJED CCCC[C@@H](CC)C(=O)N(CCC#N)c1ccc(OCC)cc1 497825165 ZMYLRJSULRCYKK-MRXNPFEDSA-N 316.445 4.548 30 20 DJED CCc1ccccc1CCSCCCC1(C#N)CCOCC1 512382741 MZDUTJWAFZDSFX-UHFFFAOYSA-N 317.498 4.625 30 20 DJED COCc1cccc(CSc2ccc(C#N)cc2Cl)c1 533176931 IEOZMLBRTXMYFS-UHFFFAOYSA-N 303.814 4.650 30 20 DJED C=C[C@H](CC(=O)Nc1ccc2[nH]c(C)cc2c1)c1ccccc1 535372674 FWYAOGHKOFZSBY-OAHLLOKOSA-N 304.393 4.775 30 20 DJED C=CCCC[C@H](C)NC(=O)N(CC)[C@H](C)c1cccc(OC)c1 537274113 VWOLJTAKPALZCN-JKSUJKDBSA-N 318.461 4.533 30 20 DJED C=CCC(CC=C)c1nc(-c2ccccc2COC(C)C)no1 546352653 WYKOPUHFQOEUFY-UHFFFAOYSA-N 312.413 4.897 30 20 DJED C=CCC[C@H](C(=O)Nc1cccc2ccncc12)c1ccccc1 548615953 GZFUGILFRLBGCZ-SFHVURJKSA-N 316.404 4.923 30 20 DJED N#Cc1ccc(Cl)c(C(=O)Nc2cccc3ccsc23)c1 552120501 QQTHHAAMSISAHR-UHFFFAOYSA-N 312.781 4.679 30 20 DJED CC(C)[C@H](CC(=O)Nc1ccccc1CC#N)c1ccccc1 555526497 DLHGCLXYIPDEHA-SFHVURJKSA-N 306.409 4.521 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCc2ccc(F)cc21 577006102 JXZQWHPZJGNBNC-RTWAWAEBSA-N 320.411 4.742 30 20 DJED Cc1csc(NC(=O)C[C@@H]2C[C@H](C)c3c(C)cccc32)c1C#N 580006753 LKTPPBQHICSROF-JSGCOSHPSA-N 324.449 4.856 30 20 DJED N#Cc1cccc(C2(NCC3CCC(C(F)(F)F)CC3)CC2)c1 581145468 CPBXQGZYUJGODH-UHFFFAOYSA-N 322.374 4.506 30 20 DJED C[C@H](NCc1coc2ccccc12)c1ccc(C#N)cc1Cl 582680404 OYTJLPHOTQDQPG-LBPRGKRZSA-N 310.784 4.809 30 20 DJED N#Cc1ccc(N(C(=O)c2ccc(C3CC3)cc2)C2CCC2)cc1 598887008 ZQZBUFCRSKIHRN-UHFFFAOYSA-N 316.404 4.635 30 20 DJED C=CCCCCCN(C)C(=O)Nc1cccc(OCC(=C)C)c1 606943375 DBCRUZOCOCQLHB-UHFFFAOYSA-N 316.445 4.852 30 20 DJED N#Cc1ccc(SCc2nc3ccccc3s2)c(F)c1 610164596 FMYVSTZCDQWTRR-UHFFFAOYSA-N 300.383 4.599 30 20 DJED C=CCN(CC=C)C(=O)Nc1ccc(-c2ccccc2)cc1F 642510305 SAEBCSGUDPLHPG-UHFFFAOYSA-N 310.372 4.699 30 20 DJED C=CC[C@H]1CCCC[C@@H]1N[C@@H]1CCO[C@@H](c2cccs2)C1 658031635 LSGYAQDGLBLYSG-VVLHAWIVSA-N 305.487 4.693 30 20 DJED C=C[C@@H](Cc1nc([C@H]2CCc3ccccc32)no1)c1ccccc1 680747595 QLXXHTIRSQXYFM-KXBFYZLASA-N 316.404 4.660 30 20 DJED C#Cc1ccc(C(=O)Nc2ccc(S[C@H](C)CC)cc2C)nc1 728819708 FYTXTZKEBZPXRZ-CQSZACIVSA-N 324.449 4.514 30 20 DJED C#CCN(C(=O)N[C@@H](c1ccccc1)C1CCC1)C1CCCCC1 729613985 AXIOFHNXYJOZMW-FQEVSTJZSA-N 324.468 4.505 30 20 DJED CCc1nc2ccccc2n1N=C1CC(c2ccc(C)cc2)C1 729816697 QBKXBOMZJNKDQM-UHFFFAOYSA-N 303.409 4.689 30 20 DJED C[C@@H](/N=C/c1ccccc1O)c1nc(-c2ccccc2)cs1 730434697 QSDJRDWDMUASGX-OTGIAGGSSA-N 308.406 4.696 30 20 DJED CCOc1cccc(C=Nc2ccc(CC(F)(F)F)cc2)c1O 741466128 FMZPITJREBLZKF-UHFFFAOYSA-N 323.314 4.646 30 20 DJED CCOc1ccc(O)c(C=Nc2cccc(CC(F)(F)F)c2)c1 743044958 VLECSRAADOFUFA-UHFFFAOYSA-N 323.314 4.646 30 20 DJED COc1cc(C(=O)/C=C/C=C\c2ccccc2)ccc1SC 747614650 KZTMBNTUESPOKY-NAKBGQTNSA-N 310.418 4.869 30 20 DJED O=C(/C=C/c1cccc(-c2ccccn2)c1)c1ccc(F)cc1 747698881 OJEHDJFHIMOGQM-KPKJPENVSA-N 303.336 4.784 30 20 DJED CC(=C/c1ccccc1)/C=C1\COc2c(F)cc(F)cc2C1=O 750914335 WDUZKWNAUVVNNW-FHGRNIPQSA-N 312.315 4.570 30 20 DJED CC(C)c1ncc(/C=C2\CCc3cc(F)ccc3C2=O)s1 758433012 FIRAYVCZHPTQCG-XYOKQWHBSA-N 301.386 4.618 30 20 DJED C[C@@H]1Sc2sccc2C(=O)/C1=C/c1nc(Cl)cs1 759085777 YGHONCFJCGGZHB-VWOAIRDFSA-N 313.856 4.619 30 20 DJED CC(C)Sc1ccccc1NC(=O)/C=C\c1ccccc1C#N 760812890 ZITPOHHMAUWBRX-QXMHVHEDSA-N 322.433 4.711 30 20 DJED C=CC[C@H](N[C@@H](C)c1cnc2ccsc2c1)c1ccncc1 766018932 JSNQLKBFZVLBES-BBRMVZONSA-N 309.438 4.659 30 20 DJED C#CCC(C)(C)C(=O)Nc1cccc(COC2CCCCC2)c1 767072717 QKOFAHACRHNHLE-UHFFFAOYSA-N 313.441 4.524 30 20 DJED CCn1nc(/C=C/C(=O)c2ccc(Cl)s2)c2ccccc21 769744149 UTOUTDJQEHIUAF-BQYQJAHWSA-N 316.813 4.667 30 20 DJED C=CCN(C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C)C1CC1 772897202 YXWSQADMCCEKQV-MRXNPFEDSA-N 322.452 4.505 30 20 DJED N#CCOc1cc(F)ccc1NC/C=C\c1ccc(Cl)cc1 779605251 UATGVOKYJNVTCH-UPHRSURJSA-N 316.763 4.507 30 20 DJED Cc1ccc(-c2ccc(C(=O)OCC(C)(C)C#N)c(F)c2)cc1 781476858 IPGWJCGACLQIJV-UHFFFAOYSA-N 311.356 4.508 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1cc(Cl)cs1 782325697 CRJXPMBKQVNIKH-AATRIKPKSA-N 308.834 4.692 30 20 DJED Cc1c(C(=O)/C=C\c2ccc(-c3ccccc3)o2)cnn1C(C)C 787186538 KJWCPSSROIGPAQ-LUAWRHEFSA-N 320.392 4.929 30 20 DJED Cc1cccc2c1C/C(=C/c1cnc(-c3ccco3)s1)C2=O 789142273 JUBJMOOCFOVDAE-WQLSENKSSA-N 307.374 4.534 30 20 DJED C/C=C(\CC)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 789661926 ICZSHOMJVCFXMD-SNQQMIOCSA-N 318.420 4.759 30 20 DJED C[C@@H](NCc1ccc2sccc2c1)c1ccc(OCC#N)cc1 810242569 DTGNHIPVCVZGEA-CQSZACIVSA-N 322.433 4.654 30 20 DJED N#CCC1(OC(=O)c2sc3cc(F)ccc3c2Cl)CCC1 810859988 YWRURFVZTVNBDY-UHFFFAOYSA-N 323.776 4.687 30 20 DJED COCc1ccccc1/C=C(\C)C=NN[C@H](C)c1ccccc1 814220334 WCOYCFHBODEDMD-KIFOJYJKSA-N 308.425 4.573 30 20 DJED C=C(C)C(C)(C)C(=O)OCc1csc(-c2ccsc2)n1 821448178 QOQQCICFVBVCJE-UHFFFAOYSA-N 307.440 4.517 30 20 DJED Cc1cc(SCc2ccco2)n2c(nc3ccccc32)c1C#N 864243385 HTSCLSMFKWZBMB-UHFFFAOYSA-N 319.389 4.553 30 20 DJED CCCCCCCC(=O)N(Cc1cccs1)C[C@H]1CCCO1 886836825 QOAWPDASEINZGE-MRXNPFEDSA-N 323.502 4.616 30 20 DJED C[C@@H]1CC(C(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H](C)C1 1124369090 LKSFNAHIQVYDPM-RYUDHWBXSA-N 316.470 4.509 30 20 DJED Cc1cccc2cc(C(=O)O[C@@H](C)c3ccc(C#N)cc3)oc12 1126638481 ZQZXIKIQNIYQQH-ZDUSSCGKSA-N 305.333 4.531 30 20 DJED CC(C)(CCC#N)CNc1nc2c(F)cc(Cl)cc2s1 1186632768 HBKZZNBVOLUFIK-UHFFFAOYSA-N 311.813 4.831 30 20 DJED N#Cc1ccc(CN2CCC[C@H]2c2cccc(F)c2)c(Cl)c1 1238086307 ZHFXJILTPZWCGR-SFHVURJKSA-N 314.791 4.688 30 20 DJED CC[C@H](OC(=O)c1ccc(C#N)s1)C(C)(C)c1ccccc1 1265324987 XBFDMGWZOKTGFJ-INIZCTEOSA-N 313.422 4.533 30 20 DJED N#Cc1cc(Cl)ccc1COc1cccc(C(F)(F)F)c1 1307258273 WATUZJXCYXRGLF-UHFFFAOYSA-N 311.690 4.809 30 20 DJED CC[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(F)cc1C#N 1307502316 YDHPBHUVUXPRBV-SFTDATJTSA-N 322.427 4.856 30 20 DJED N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2Cc2ccccc2)s1 1307709361 PYTFQIZHIHWNON-VQIMIIECSA-N 310.466 4.511 30 20 DJED CC1(C)C[C@]1(NCc1ccc(Cl)cc1C#N)c1ccccc1 1307961295 DPCBVDQXFBWOCY-IBGZPJMESA-N 310.828 4.627 30 20 DJED N#CCc1cccc(N2CCCC[C@@H]2CCCc2ccccc2)n1 1325710591 UFOPOZBRAXYDCM-HXUWFJFHSA-N 319.452 4.529 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCCC1(C)C 1353036934 XAOPYOHNQYVUMU-SFHVURJKSA-N 312.457 4.513 30 20 DJED C[C@H](OC(=O)c1ccc2ccccc2c1)c1ccc(C#N)cc1 1354910635 LIESIBHSZAFBHP-AWEZNQCLSA-N 301.345 4.629 30 20 DJED CC(C)[C@@H](CC1CCCCC1)C(=O)Nc1ccc(F)c(C#N)c1 1358058365 SOBMFCBXYYHTCC-QGZVFWFLSA-N 316.420 4.878 30 20 DJED CCc1ccc([C@H](C)C(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1 1457191700 MNFPATNTVPWPRY-GJZGRUSLSA-N 307.393 4.529 30 20 DJED Cc1ccc(C#N)c(N2CCc3c(-c4ccccc4)cccc32)n1 1458307253 CSGHCSDQWJUYEI-UHFFFAOYSA-N 311.388 4.623 30 20 DJED C[C@H](Cc1ccc2c(c1)CCCC2)Nc1cccc(OCC#N)c1 1462071892 SPZYUPJUADCWPI-MRXNPFEDSA-N 320.436 4.511 30 20 DJED Cc1ccc(C#N)c(Nc2ccc(NCC3CCCC3)cc2)n1 1472681448 ZTKWAZOQMOSXCB-UHFFFAOYSA-N 306.413 4.607 30 20 DJED Cc1nc(C#N)cc(S[C@H](C)c2ccc(Cl)c(Cl)c2)n1 1472705371 AFFASMZLSVJURQ-MRVPVSSYSA-N 324.236 4.817 30 20 DJED CC(C)c1cccc(C(=O)N(C)c2cc(Cl)ccc2C#N)c1 1516250888 QIPSZDIQXIMVSH-UHFFFAOYSA-N 312.800 4.612 30 20 DJED CC[C@@H](C#N)C(=O)Nc1ccc(-c2cccc(Cl)c2)cc1C 1542718613 DOVNHXGTMFJBEG-ZDUSSCGKSA-N 312.800 4.804 30 20 DJED Cc1cc(Nc2cccc(Oc3ccccc3)c2)ncc1C#N 1559053009 PFEONYLVQGADGN-UHFFFAOYSA-N 301.349 4.798 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1nccc2ccccc12 1620962395 CPLCUWYZSOKVIE-UHFFFAOYSA-N 317.392 4.506 30 20 DJED Cc1c(C(=O)N(C)c2ccc(C#N)c(Cl)c2)oc2ccccc12 1624013816 VOUNISDDNWGAFQ-UHFFFAOYSA-N 324.767 4.543 30 20 DJED CN(Cc1ccc(C#N)cc1Cl)Cc1cccc2ccccc12 1641525586 VVVFBCGLWCIBNF-UHFFFAOYSA-N 320.823 4.997 30 20 DJED CC(C)CN(CCSC(C)(C)C)Cc1ccc(C#N)cc1 1653242893 SULCFAWNFXDLOY-UHFFFAOYSA-N 304.503 4.548 30 20 DJED CN(Cc1cccc(C#N)c1)[C@H]1CCCC[C@@H]1c1ccccc1 1653896411 XKXBTRMZFCNHQA-RTWAWAEBSA-N 304.437 4.716 30 20 DJED C[C@H](COCc1ccccc1)CSc1ccc(C#N)cc1F 1656304753 OVDXETDYWDDWHS-CQSZACIVSA-N 315.413 4.642 30 20 DJED Cc1cc(CN(C)Cc2cccc3ccccc23)ccc1C#N 1658301177 IMIAZDCUYSDTQK-UHFFFAOYSA-N 300.405 4.652 30 20 DJED C=CCc1ccccc1CNc1ccc(C[C@@H](CC)C(=O)O)cc1 1776188656 KHWILFCWCSDCNE-QGZVFWFLSA-N 323.436 4.681 30 20 DJED CCOc1ccc(C#N)cc1N[C@H](C)c1ccccc1Cl 63641567 VSAXFTIPYJKORU-GFCCVEGCSA-N 300.789 4.783 30 20 DJED CCc1c(C)sc(NC(=O)CCCc2cccs2)c1C#N 75678739 RSDWUFASUPCVFE-UHFFFAOYSA-N 318.467 4.514 30 20 DJED CCOc1cc(/C=C\C(=O)c2ccc(C)c(C)c2)ccc1OC 111682013 ALVKAYKCULNTFC-YFHOEESVSA-N 310.393 4.607 30 20 DJED Cc1ccc(SCc2nnc(-c3ccc(C#N)cc3)o2)cc1C 133590564 KQXBZJGRELNOPI-UHFFFAOYSA-N 321.405 4.517 30 20 DJED COc1cccc(C(=O)/C=C\c2cccc(C(F)(F)F)c2)c1 149356744 SDYJWWHBLGGKJR-HJWRWDBZSA-N 306.283 4.610 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2ccccc2C(F)(F)F)s1 176399037 SNJLVAZRLCOWFQ-BQYQJAHWSA-N 307.296 4.535 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@H]1CCC[C@H]1C 249020091 QLHWTGJUJVJBIP-RBSFLKMASA-N 316.470 4.846 30 20 DJED Cc1csc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 294496193 FFYFSMNZUYSCCT-LBPRGKRZSA-N 316.451 4.703 30 20 DJED N#Cc1cc(F)ccc1N1CCC[C@@H]1c1nc2ccccc2s1 301196755 KLWBUQDPWSQQEC-MRXNPFEDSA-N 323.396 4.649 30 20 DJED C[C@H](Nc1ccc(F)cc1C#N)c1cccc(C(F)(F)F)c1 317338088 FSWRTFALLXYDFL-JTQLQIEISA-N 308.278 4.889 30 20 DJED N#Cc1ccc(N[C@@H]2CCc3cc(F)ccc32)c(C(F)(F)F)c1 322309887 KTXSCMCPDNRWLG-OAHLLOKOSA-N 320.289 4.816 30 20 DJED N#CCC[C@@H](Nc1cncc(-c2cccs2)n1)c1ccccc1 338685111 YOQOAGBSIILTGY-OAHLLOKOSA-N 320.421 4.662 30 20 DJED N#CCCC[C@H](NCc1cc2c(F)cccc2[nH]1)c1ccccc1 353916869 RJKJHABCWVUKKP-IBGZPJMESA-N 321.399 4.832 30 20 DJED C=C(C)C(C)(C)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 424640171 AEJOCBYBLFDJIB-CYBMUJFWSA-N 314.454 4.590 30 20 DJED CN(Cc1ccccc1N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 435052558 IJUHSPHDVLYKCQ-PKOBYXMFSA-N 319.452 4.817 30 20 DJED CCN(CCC#N)C(=O)c1ccc(Sc2ccccc2C)cc1 440604743 USEPWHZRDXFUQU-UHFFFAOYSA-N 324.449 4.522 30 20 DJED CC[C@H](NCCCc1c[nH]c2ccccc12)c1ccc(C#N)cc1 447525643 APAWPEZBMFKKPI-FQEVSTJZSA-N 317.436 4.713 30 20 DJED C=C(C)[C@@H](NCc1ccc(C)c(F)c1)c1ccc(F)c(F)c1 479421175 JDEYWYKESRFWAZ-GOSISDBHSA-N 305.343 4.819 30 20 DJED CCC1(Cc2ccccc2)CCN([C@@H]2CCC[C@H](C#N)C2)CC1 479555161 SGZVSFFUJDBMBJ-VQTJNVASSA-N 310.485 4.804 30 20 DJED Cc1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cc1F 481914833 UKSYTKXYWVXDMJ-FQEVSTJZSA-N 308.400 4.563 30 20 DJED C[C@H](SCCOc1cccc(C#N)c1)c1ccc(F)c(F)c1 498129896 VJZNVQRNJMXRCD-LBPRGKRZSA-N 319.376 4.710 30 20 DJED C=CCCC[C@@H](C)NC(=O)N(C)[C@H](CC)c1cccc(OC)c1 501570444 VJCVOYZQELAKDJ-CRAIPNDOSA-N 318.461 4.533 30 20 DJED C[C@H](Nc1cccc(C#N)n1)c1ccc(Oc2ccccc2)cc1 522936604 RZUALOHIAJYMCK-HNNXBMFYSA-N 315.376 4.919 30 20 DJED Cc1ccccc1[C@H](CC(C)C)NCc1ccc(C#N)cc1F 533309434 YTDWXCSXWAAHAR-FQEVSTJZSA-N 310.416 4.883 30 20 DJED C=CCCO[C@H](C)c1nc(CSc2cc(C)ccc2C)no1 546229566 LCFYKHGYTMHAAA-CQSZACIVSA-N 318.442 4.632 30 20 DJED C=Cc1ccc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)cc1 560033884 BWZUPTRKHJZAOL-UHFFFAOYSA-N 304.393 4.504 30 20 DJED CC[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 567285406 WFCYUWXVTDCNPE-OALUTQOASA-N 310.828 4.940 30 20 DJED CC#CCCCC(=O)Nc1ccccc1N[C@H](C)c1ccccc1 580570069 NYYVMZKOZFPGLL-QGZVFWFLSA-N 320.436 4.992 30 20 DJED C=CCN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 611809628 CKXBRKWIDSODHA-KGLIPLIRSA-N 311.347 4.574 30 20 DJED O=C1/C(=C\c2ccc(F)c(F)c2)CCOc2c(Cl)cccc21 733749008 PULMJMGWYFMFKP-FLIBITNWSA-N 320.722 4.667 30 20 DJED FC(F)(F)c1ccc(NN=C(CC2CC2)c2ccccc2)nc1 735970969 MERHSUPHQSAEGC-UHFFFAOYSA-N 319.330 4.717 30 20 DJED C#Cc1cccc(NC(=S)N(CC(C)(C)C)CC(C)(C)C)c1 774561550 BXYCXERHNCLKDD-UHFFFAOYSA-N 316.514 4.759 30 20 DJED CCCCCC[C@H](C)CC(=O)Nc1ccccc1O[C@@H](C)C#N 780151168 ZNWRVTQEAMFBOV-HOTGVXAUSA-N 316.445 4.913 30 20 DJED O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)c1ccnc(F)c1 794718616 BZPODXXRTIHSFU-FNORWQNLSA-N 311.287 4.516 30 20 DJED Cc1ccc(-c2nc(/C=C/C(=O)c3ccnc(F)c3)cs2)cc1 794719439 LANVXTCJPKAPSU-VOTSOKGWSA-N 324.380 4.549 30 20 DJED CCCn1nccc1/C=C/C(=O)c1ccc(SC(F)F)cc1 853005331 GZTIUXSEPBAXNB-VMPITWQZSA-N 322.380 4.504 30 20 DJED Clc1ccc(C=NOCc2cc(-c3ccccc3)no2)cc1 913029522 UALLUVASVJARQT-UHFFFAOYSA-N 312.756 4.546 30 20 DJED Clc1ccc(-c2cc(CON=Cc3cccs3)on2)cc1 913029533 WDKGSIVPSUZALM-UHFFFAOYSA-N 318.785 4.607 30 20 DJED CCOc1ccc(O)c(C=Nc2ccc3oc(C(C)C)nc3c2)c1 914702458 HHCYQFYSSOYNTQ-UHFFFAOYSA-N 324.380 4.806 30 20 DJED O=C(/C=C\c1ccc(OC(F)F)cc1)c1c[nH]c2ccccc12 915270843 CMJGSFBJWRIBLQ-YFHOEESVSA-N 313.303 4.665 30 20 DJED CCOc1ccccc1C(C)=NNc1nc2ccccc2s1 916246804 RRTDBPVITIHQDY-UHFFFAOYSA-N 311.410 4.531 30 20 DJED CC(CCc1ccco1)=NNc1ccnc2cc(Cl)ccc12 917022821 KEKKNTBIQRIUHW-UHFFFAOYSA-N 313.788 4.902 30 20 DJED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCCCC1(C#N)CCC1 929757562 SYAPEOYRWCCVKA-PMACEKPBSA-N 321.468 4.622 30 20 DJED C[C@H](OC(=O)[C@H]1CCC[C@@H]1c1ccccc1)c1ccc(C#N)cc1 1126637975 QWUZXOKHCJRVCF-BEVDRBHNSA-N 319.404 4.746 30 20 DJED CC(C)N(C(=O)CC1(C#N)CCCCC1)[C@@H](C)c1ccccc1 1181362543 KKTJXQMBGLWPQM-KRWDZBQOSA-N 312.457 4.849 30 20 DJED CC[C@H]1CCC[C@H]1CNc1c(Br)cccc1C#N 1186478889 IRMOHBNBCKPAST-AAEUAGOBSA-N 307.235 4.559 30 20 DJED Cc1ccc(C)c(C(=O)[C@@H](C)Sc2cccc(F)c2C#N)c1 1189433695 XHXZMGOBPQMZQG-CYBMUJFWSA-N 313.397 4.678 30 20 DJED N#CCc1ccc(CN(Cc2ccccc2Cl)CC2CC2)cc1 1194263381 YUZVHZRCWZSDSX-UHFFFAOYSA-N 324.855 4.818 30 20 DJED CC(C)(C)c1ccc2c(c1)CCCN2Cc1cccc(F)c1C#N 1205354111 SISYOLQSKYYEIK-UHFFFAOYSA-N 322.427 4.948 30 20 DJED CC(C)(C)C[C@@H]1CCN(C(=O)Nc2ccc(C#N)cc2)C1(C)C 1309984380 GVGTXWFDYPVOLR-HNNXBMFYSA-N 313.445 4.627 30 20 DJED CCc1ccc([C@@H](NC(=O)c2ccc(C)c(C#N)c2)C(C)C)cc1 1352988821 WUBWMHCPSKBJOK-FQEVSTJZSA-N 320.436 4.556 30 20 DJED CCCCN(C(=O)Nc1ccc(F)c(C#N)c1)C1CCCCC1 1465520849 QAFYMZOQLSHBFQ-UHFFFAOYSA-N 317.408 4.664 30 20 DJED Cc1cc(CSc2nc(-c3ccccc3)ccc2C#N)ccn1 1472991041 GDMXJXIBPMBUMH-UHFFFAOYSA-N 317.417 4.616 30 20 DJED COc1ccc(C#N)cc1CN1c2ccccc2CC[C@H]1C(C)C 1473350359 GMEXQDUXRUURGR-IBGZPJMESA-N 320.436 4.544 30 20 DJED CCCc1cc(C(=O)O[C@@H](C)c2cccc(C#N)c2)sc1C 1516882583 RVQOHPAYSKMYSB-LBPRGKRZSA-N 313.422 4.799 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)Nc1cc(C#N)ccc1F 1528456552 NGJNDCYKABTEEZ-HNNXBMFYSA-N 302.393 4.632 30 20 DJED Cc1cc(Cl)c(C(=O)O[C@H](C)c2ccc(C#N)cc2)cc1C 1531748120 XQQWJOLYTOWEKJ-CYBMUJFWSA-N 313.784 4.747 30 20 DJED COc1cc(C#N)ccc1CN1CCC[C@@H]1c1cccc(C)c1C 1559555822 KRINFBDGWOAJAW-HXUWFJFHSA-N 320.436 4.521 30 20 DJED Cc1nnc(SCCC2C[C@H](C)C[C@@H](C)C2)c(C#N)c1C 1613462212 KXXIRYJNJSQTDS-VXGBXAGGSA-N 303.475 4.520 30 20 DJED CC[C@H](c1ccccc1)N(C(=O)c1ccc(C)c(C#N)c1)C(C)C 1618605505 WARHMQDFBLZENX-HXUWFJFHSA-N 320.436 4.869 30 20 DJED Cc1ccc(-c2cc(COc3ccc(C#N)c(Cl)c3)on2)cc1 1641069237 ZCTAVCOVFWFLQJ-UHFFFAOYSA-N 324.767 4.754 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](Cc2ccccc2)C1 1653322765 DYGVEPCSLONQED-FXAWDEMLSA-N 304.437 4.574 30 20 DJED CCOc1ccc(C#N)cc1N[C@H]1CCC[C@@H](CC(C)C)C1 1657712984 KNUGWCXNFVFJFE-RDJZCZTQSA-N 300.446 4.974 30 20 DJED CC(C)(CC#N)CNCc1ccc(-c2ccccc2Cl)o1 1658102018 IBCRHPHANJRRMJ-UHFFFAOYSA-N 302.805 4.629 30 20 DJED N#CC1(CNCc2ccc(-c3ccc(Cl)cc3)cc2)CCC1 1658744914 SMFLNFXNPLULQC-UHFFFAOYSA-N 310.828 4.790 30 20 DJED CC1(C)CCC(C)(C)N(Cc2ccc(C#N)cc2OC(F)F)C1 1659498657 PQQATIGHVGJLMX-UHFFFAOYSA-N 322.399 4.560 30 20 DJED CCCN(CC(C)C)C(=O)Nc1scc(C(C)(C)C)c1C#N 1662084913 UAZWKQICMIAMOJ-UHFFFAOYSA-N 321.490 4.817 30 20 DJED Cc1ccc(-c2nc(CNc3cccc(CC#N)c3)cs2)cc1 1662474622 ZMQVMBVVDUMXMK-UHFFFAOYSA-N 319.433 4.797 30 20 DJED Cc1cc(C#N)cc(NC(=O)N[C@H](CCC(C)C)C(C)(C)C)c1 1662642406 HAFXFEZDGYATQP-QGZVFWFLSA-N 315.461 4.839 30 20 DJED Cc1cc(C#N)cc(NC(=O)N(C)[C@@H](c2ccccc2)C(C)C)c1 1672281400 CWVKCJXJMMRBSH-LJQANCHMSA-N 321.424 4.728 30 20 DJED CCC[C@@H](C=NNc1ccc(C(=O)O)c(F)c1)c1ccccc1 1776074850 YBULGVZKLIMIAC-AWEZNQCLSA-N 314.360 4.506 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1cc(C)ccc1C 1776782959 PBCMPGUUCJKGEX-SFHVURJKSA-N 305.462 4.597 30 20 DJED C[C@@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccc(C#N)cc1 78972636 WJZFTCHHACZAQQ-GFCCVEGCSA-N 303.365 4.750 30 20 DJED N#CCCCOc1cccc(CNc2cccc(C(F)F)c2)c1 128536254 OXEJNAYPWUDARJ-UHFFFAOYSA-N 316.351 4.919 30 20 DJED COc1ccccc1-c1ccc(C(=O)/C=C/c2cncs2)cc1 130093187 JRESLBOJJWPKBN-ZHACJKMWSA-N 321.401 4.715 30 20 DJED C[C@@H](NCc1cc(C#N)ccc1F)c1ccc(C(F)(F)F)cc1 174265200 UQZKEMOMFTZLEG-LLVKDONJSA-N 322.305 4.567 30 20 DJED N#Cc1ccc2nc(N3CCC[C@@H]3c3cccs3)ccc2c1 179880868 TYHSHDPGNAQMCL-MRXNPFEDSA-N 305.406 4.509 30 20 DJED N#CCSCCCN[C@H](CCc1ccccc1)c1ccccc1 180390889 OCJGNRLFYBHJIK-HXUWFJFHSA-N 324.493 4.597 30 20 DJED Cc1cc(C)c(NC(=O)Nc2ccccc2O[C@H](C)C#N)c(C)c1 183521962 ULRSWUILAHAORG-OAHLLOKOSA-N 323.396 4.547 30 20 DJED C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)c2ccccc12 191604667 ONIZYKSRSGFAGZ-ZDUSSCGKSA-N 323.827 4.554 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)s1 255845564 VLHHEMNILIITOA-CLTKARDFSA-N 307.296 4.535 30 20 DJED Cc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)s1 264499751 GBVYDUMSHMTDRV-LLVKDONJSA-N 316.451 4.561 30 20 DJED C=CCN(C(=O)c1cc(Cl)ccc1Cl)c1ccccc1 301844945 JBXSYEWITLXFRL-UHFFFAOYSA-N 306.192 4.826 30 20 DJED COc1ccc2ccccc2c1CNc1cccc(CC#N)c1 313413017 UTLWARKYTDKYHA-UHFFFAOYSA-N 302.377 4.527 30 20 DJED N#Cc1ccc(CNc2ccccc2Cc2ccccc2)c(F)c1 391726589 HIAGTXMOTHMOEX-UHFFFAOYSA-N 316.379 4.900 30 20 DJED CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1ccc(C#N)cc1Cl 426142943 XFBLKWBRKHBVOG-MLGOLLRUSA-N 319.836 4.644 30 20 DJED Cc1ccc(NC(=O)CS[C@H](C)c2cccc(C#N)c2)cc1C 443158465 VNDOPFZXJWCUCW-OAHLLOKOSA-N 324.449 4.608 30 20 DJED Cc1nc(CNc2ccccc2SC[C@H](C)C#N)c(C)s1 443458500 BDYHUGDBITYGCF-LLVKDONJSA-N 317.483 4.624 30 20 DJED Cc1ccc(NC(=O)CCCC#N)cc1OCC1CCCCC1 462143874 QJIXEBOLNNYYOX-UHFFFAOYSA-N 314.429 4.587 30 20 DJED CC(C)(C#N)CC(=O)N(Cc1ccccc1)[C@H]1CCCC1(C)C 469539511 HSDSXGJUOGJPOY-KRWDZBQOSA-N 312.457 4.534 30 20 DJED C=CCCC1(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)CC1 474408826 MJWKXUCIJLDHKE-UHFFFAOYSA-N 320.436 4.530 30 20 DJED C=CCCCC(=O)Nc1cccc(CSc2ccccn2)c1 479583384 WVNZCUOWIPPXFW-UHFFFAOYSA-N 312.438 4.669 30 20 DJED C=CCC(C)(C)CNC(=O)c1ccc(Cl)cc1C(F)(F)F 489906498 IFIOGHITTARXQN-UHFFFAOYSA-N 319.754 4.691 30 20 DJED CC(C)(C#N)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 511377940 LKWXUOKUJZBBNL-UHFFFAOYSA-N 314.392 4.688 30 20 DJED C[C@H](CNCc1ccc(C#N)cc1)c1c(Cl)cccc1Cl 518782345 UQCCWMFMDJTVSE-GFCCVEGCSA-N 319.235 4.758 30 20 DJED C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cccc(OCCCC#N)c1 537635955 DFJCRLKNWSIQTD-YVWKXTFCSA-N 312.457 4.522 30 20 DJED CCCCC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542927532 KCQQTKVIRCCCHH-HNNXBMFYSA-N 306.409 4.593 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)c2cc(F)ccc2Cl)cc1 550949471 AVKWTKXZRGGFTE-UHFFFAOYSA-N 316.763 4.533 30 20 DJED CCCN(Cc1ccc(C)cc1)C(=O)Nc1cc(C#N)ccc1C 554274727 JZHHXHZUELNJGP-UHFFFAOYSA-N 321.424 4.619 30 20 DJED C=CCCCCS(=O)(=O)C(c1ccccc1)c1ccccc1 556901849 INCMYXFCKCYDFM-UHFFFAOYSA-N 314.450 4.547 30 20 DJED N#Cc1ccnc(N2CCC[C@H]2c2ccc(Cl)cc2)c1Cl 561140904 KAZYNONHUYCVGK-AWEZNQCLSA-N 318.207 4.602 30 20 DJED COc1ccc(C)cc1[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 565546529 YDLAPNJLFBLGMQ-QRWLVFNGSA-N 320.436 4.604 30 20 DJED CC[C@@H](CC(=O)Nc1scc(C)c1C#N)c1ccc(C)cc1 565798660 IKLAYIMKUPFJDQ-AWEZNQCLSA-N 312.438 4.759 30 20 DJED N#CC[C@@H](Cc1nc(-c2ccccc2Cl)no1)c1ccccc1 570854514 UQHCRCLZYWAEKB-AWEZNQCLSA-N 323.783 4.630 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N(C1CC1)[C@@H](C)c1ccccc1 583572054 PUUISCPLWQJQOO-HNNXBMFYSA-N 319.408 4.624 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc2sccc2c1 589344790 HEEFPRQCACOZOD-IBGZPJMESA-N 318.445 4.940 30 20 DJED Cc1c(Cl)cc(NC(=O)c2cccc(CC#N)c2)cc1Cl 604458195 JOJGRRVOHCERNR-UHFFFAOYSA-N 319.191 4.620 30 20 DJED C[C@H](c1ccc(C#N)cc1)N(C)Cc1ccc(C(F)(F)F)cc1 604492798 SFOFJOCMZCVMIX-CYBMUJFWSA-N 318.342 4.770 30 20 DJED CCCCCCCC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730417241 NVDMYYDKXUASEJ-ZDUSSCGKSA-N 318.417 4.972 30 20 DJED Cc1nc(-c2ccccc2)[nH]c1C(=O)/C=C/c1cccc(F)c1F 730728998 BPJYGKOQALUCMG-ZHACJKMWSA-N 324.330 4.559 30 20 DJED C[C@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)C(C)(C)C 734706361 FDLWXWALNSUVLU-KOLCDFICSA-N 320.845 4.808 30 20 DJED CCCCCC[C@](C)(CC)C(=O)NCc1cccc(C#N)c1 742524281 JTWLFFHAAOHBHM-IBGZPJMESA-N 300.446 4.561 30 20 DJED CSc1ccc(/C=C\C(=O)c2c[nH]c3cc(F)ccc23)cc1 749452005 IUYXKRAXGHSXJD-WTKPLQERSA-N 311.381 4.925 30 20 DJED CCc1ccc(NC(=S)N(c2cccc(C#N)c2)C(C)C)cc1 749767090 IHMODEAYNRJUBQ-UHFFFAOYSA-N 323.465 4.732 30 20 DJED N#C[C@H]1CCC[C@H](Nc2ccc(OC3CCCC3)c(F)c2)C1 765919352 BEMSSAGZWPZRRO-KBPBESRZSA-N 302.393 4.641 30 20 DJED N#Cc1ccc(SC[C@H](O)c2ccc(Cl)cc2)c(Cl)c1 771586040 KBBXCOIRIPMITD-AWEZNQCLSA-N 324.232 4.691 30 20 DJED CSc1ccc(C)c(N[C@H](C)c2ccc(C#N)c(F)c2)c1 777306718 OMWHBYRRNULPGN-GFCCVEGCSA-N 300.402 4.901 30 20 DJED O=C1/C(=C/c2scnc2C2CC2)CSc2c(F)cccc21 782324302 YTCSSIAKTOVMBI-UXBLZVDNSA-N 317.410 4.532 30 20 DJED O=C(/C=C\c1cnc(-c2ccc(Cl)cc2)s1)c1ccco1 789143745 RMQAIPDFBWEFFW-FPLPWBNLSA-N 315.781 4.953 30 20 DJED CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(C)o2)cc1OC 797193043 MDJBOUWDAQYAAU-VOTSOKGWSA-N 320.772 4.545 30 20 DJED C[C@H](C#N)OCCN(Cc1cccc2ccccc12)C1CCCC1 801917474 DPQKOXKBESJSCR-QGZVFWFLSA-N 322.452 4.513 30 20 DJED Cc1cccc(C(C)C)c1NN=C1CCC(=O)Nc2ccccc21 812232866 NNFUBNJCYZAXOA-UHFFFAOYSA-N 321.424 4.667 30 20 DJED N#Cc1sc(Oc2ccc(C3CC3)cc2Cl)nc1Cl 814375183 AQLMMIBBXHZJMK-UHFFFAOYSA-N 311.193 4.991 30 20 DJED N#CC1(CC[S@@](=O)Cc2ccc(Cl)s2)CCCCC1 841719150 ZGLNKOAPIBLMER-LJQANCHMSA-N 315.891 4.514 30 20 DJED CCOc1ccc(N=Cc2cccc(OCC)c2O)cc1Cl 915981120 MBORXHJCOQRGMN-UHFFFAOYSA-N 319.788 4.594 30 20 DJED CCc1nc(CON=Cc2c(CC)oc3ccccc23)cs1 920398839 FBMMAZLWFKZEBP-UHFFFAOYSA-N 314.410 4.565 30 20 DJED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cc2ccccc2[nH]1 926603963 XPNGQRKQAOHYND-JLTOFOAXSA-N 315.420 4.768 30 20 DJED Cc1cc(Cl)cc(C)c1NC(=O)c1cc(C#N)ccc1Cl 1117143956 WGGHSEHDZTVBFZ-UHFFFAOYSA-N 319.191 4.734 30 20 DJED Cc1c([C@@H](C)OC(=O)c2ccc(C#N)cc2)sc2ccccc12 1128217142 QWBLYEVEDFFNCR-CYBMUJFWSA-N 321.401 4.999 30 20 DJED CC(C)CC[C@@H](NC(=O)Nc1ccc(C#N)c(F)c1)C(C)(C)C 1219030890 QKFUHYQEPIVSHU-MRXNPFEDSA-N 319.424 4.670 30 20 DJED CC(C)(C)[C@H]1CCCN(Cc2cc(Cl)ccc2OCC#N)C1 1307716235 BDFLUSLZOKJLFW-HNNXBMFYSA-N 320.864 4.500 30 20 DJED C[C@@H](C#N)CNCc1cc(F)ccc1Oc1ccc(Cl)cc1 1308548420 RPWMGAQDJTXTIN-LBPRGKRZSA-N 318.779 4.521 30 20 DJED Cc1ccc(C[C@H](C#N)Sc2ncc(-c3ccccc3)o2)cc1 1324552722 JIIHCJIRSNQVLG-QGZVFWFLSA-N 320.417 4.877 30 20 DJED CC(C)CC(CC(C)C)NC(=O)c1ccc(C(C)(C)C#N)cc1 1435072217 FLPWPOBFGPENRI-UHFFFAOYSA-N 314.473 4.678 30 20 DJED C[C@H]1CC(C)(C)CC[C@@H]1Nc1c(Br)cccc1C#N 1458227410 DQDJYLGAUFEALK-FZMZJTMJSA-N 321.262 4.947 30 20 DJED Cc1c(Cl)cnc(NC[C@H](c2ccccc2)C2CC2)c1C#N 1472794614 HXSNMHKISVCNHP-MRXNPFEDSA-N 311.816 4.521 30 20 DJED N#Cc1cc(Cl)ccc1NC(=O)c1ccc2sccc2c1 1532392637 IXTKWVQGHGFXGY-UHFFFAOYSA-N 312.781 4.679 30 20 DJED N#Cc1nc(N2CC3(CCCC3)[C@H]2c2ccccc2)ccc1Cl 1612457460 ZLWDFFPQSKPDRA-GOSISDBHSA-N 323.827 4.728 30 20 DJED CCN(CCC1(C#N)CCCCC1)[C@@H](C)c1cccc(O)c1 1641906604 ZXGSSFFYRGSZPQ-INIZCTEOSA-N 300.446 4.639 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCC=C(c2ccccc2)C1 1643044615 IDZCMNHHVDWPPD-UHFFFAOYSA-N 316.448 4.777 30 20 DJED C=C(Br)CN(CC)Cc1ccc(Cl)c(Cl)c1 1644376401 ZMOXDEJAFDPAKD-UHFFFAOYSA-N 323.061 4.724 30 20 DJED CSc1ccc(Nc2nc(Cl)c(C#N)s2)cc1Cl 1651592892 QQFVAYWXOFCOGT-UHFFFAOYSA-N 316.238 4.787 30 20 DJED N#CCC[C@H](Nc1nc2ccc(F)cc2s1)c1ccccc1 1651665041 YPEWNGJVROUUHI-AWEZNQCLSA-N 311.385 4.892 30 20 DJED CO[C@@H](COc1cc(Cl)ccc1C#N)c1ccc(Cl)cc1 1651876663 MZYVZPZGLZJKIT-INIZCTEOSA-N 322.191 4.632 30 20 DJED Cc1cc(F)ccc1N(CCC1CC1)Cc1cccc(C#N)c1 1653667629 DTOMEYWYSDQFDT-UHFFFAOYSA-N 308.400 4.813 30 20 DJED O=C(O)c1ccc(NN=Cc2ccc(-c3ccsc3)cc2)cc1 1776013610 HIXYDRDOZRPTLY-UHFFFAOYSA-N 322.389 4.559 30 20 DJED COc1cccc(/C=C/C(=O)c2ccc(C)cc2)c1OC(F)F 57435455 IQXOVYPMQADOAO-ZHACJKMWSA-N 318.319 4.501 30 20 DJED C=C(Cl)COc1ccc([C@@H](C)NCc2ccsc2)cc1 178026060 UTJWOONUWIXEEC-CYBMUJFWSA-N 307.846 4.730 30 20 DJED C[C@H](NCc1cccc(OCCCC#N)c1)[C@@H](C)c1ccccc1 237494102 HIFWSNXPGFQHKE-MSOLQXFVSA-N 322.452 4.651 30 20 DJED CCSc1ccc(-c2noc(-c3cccc(CC#N)c3)n2)cc1 445742841 UZFSNCYBPXONEJ-UHFFFAOYSA-N 321.405 4.582 30 20 DJED C=CCC[C@H](N[C@@H]1CCC[C@H](c2ccnn2C)C1)c1ccccc1 448021141 GXPBZSLIEGAHGG-ZCNNSNEGSA-N 323.484 4.743 30 20 DJED CC1(C#N)CCC(N[C@H](c2ccc(F)cc2)C2CCC2)CC1 449126178 LJBBNLAOWMQQLY-XBMUEBEBSA-N 300.421 4.729 30 20 DJED N#Cc1cnc(SC2CCC(C(F)(F)F)CC2)c(Cl)c1 450877500 TXBAYWRDDNWECX-UHFFFAOYSA-N 320.767 4.820 30 20 DJED N#CCSc1cccc(C(=O)Nc2ccc(C3CCC3)cc2)c1 470506448 YPSLZPPWFPKPOQ-UHFFFAOYSA-N 322.433 4.822 30 20 DJED C=C[C@@H](CC(=O)Nc1cc(OC)c(C)cc1C)c1ccccc1 478574286 SMYSAFJEIOYOBD-INIZCTEOSA-N 309.409 4.610 30 20 DJED C=CCC[C@H](C(=O)N(C)[C@@H](C)c1ccccc1)c1ccccc1 489608263 UBJDMNVDXKOCFT-PXNSSMCTSA-N 307.437 4.956 30 20 DJED C=CC1CCN(C(=O)Nc2cc(C(F)F)ccc2Cl)CC1 497275555 KAUHYAJFKVQWRC-UHFFFAOYSA-N 314.763 4.708 30 20 DJED N#Cc1ccc(N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1 507029968 MJVAJSBUVTVLFP-ZBFHGGJFSA-N 302.299 4.545 30 20 DJED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](CC)CC1CCCC1 510772360 HGPKWXMCDCPPMR-HXUWFJFHSA-N 324.468 4.679 30 20 DJED C=CCN(Cc1cc(-c2ccccc2)on1)Cc1cccs1 510800269 YPYLHYVBYOKMLR-UHFFFAOYSA-N 310.422 4.591 30 20 DJED C=CCN(Cc1cccs1)C(=O)C[C@@H](C)c1cccc(F)c1 522513086 BPJGYKAFAWBBKE-CQSZACIVSA-N 317.429 4.596 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1ccccc1SC1CCCC1 524207188 XYTWHMRWNAKUER-CYBMUJFWSA-N 304.459 4.807 30 20 DJED C=CCCCCCN(C)C(=O)Nc1cccc(Cl)c1OC 524830523 ZUFLCHPKOXSRTB-UHFFFAOYSA-N 310.825 4.559 30 20 DJED C=C[C@@H](CC(=O)Nc1cc(F)ccc1Cl)c1ccccc1 534738759 OWDYUDIMVYMOGV-LBPRGKRZSA-N 303.764 4.778 30 20 DJED C=CCCC[C@H](C)NC(=O)N1CCCCC[C@@H]1c1ccco1 539464877 CANKCPYHFPVXBZ-JKSUJKDBSA-N 304.434 4.651 30 20 DJED C=CCC[C@@H](C(=O)N[C@H](C)Cc1ccsc1)c1ccccc1 547630975 AHXGEGJNGOTSJK-CRAIPNDOSA-N 313.466 4.545 30 20 DJED N#Cc1cc(CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)ccc1F 549157671 HROBZDWPEQTNBS-FNLKRUPLSA-N 320.411 4.608 30 20 DJED C=CCC(C)(C)c1noc(C[C@H](C)c2c[nH]c3ccccc23)n1 551139476 CKGDJBISRPRQPB-ZDUSSCGKSA-N 309.413 4.751 30 20 DJED C=CCCCCCN(C)C(=O)Nc1cc(C)c(OC)cc1Cl 572678950 JRVFFBSAGCPKFN-UHFFFAOYSA-N 324.852 4.867 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2cc(C3CC3)ccn2)CCCC1(C)C 575168452 QADQRDNSSPDOHH-INIZCTEOSA-N 313.445 4.558 30 20 DJED C[C@H](NCc1cnc(C2CCCC2)s1)c1cccc(C#N)c1 610860043 HXWQWHKGBVLOLN-ZDUSSCGKSA-N 311.454 4.523 30 20 DJED CCC/C=C\C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 735208551 ZLMIKJHXTATMIM-IYKSTZQJSA-N 310.422 4.651 30 20 DJED CCOc1ccc(O)c(C=Nc2cccc(CSCC)c2)c1 741466396 PTWPVHLETARDMC-UHFFFAOYSA-N 315.438 4.795 30 20 DJED CC[C@H](C#N)Oc1cccc(CNC2CCC(C(C)C)CC2)c1 742371489 ZQMGRDBTKAPKQU-CTWPCTMYSA-N 314.473 4.672 30 20 DJED O=C1/C(=C/c2csc(-c3ccc(F)cc3)n2)Oc2ccccc21 742437957 YARMJDWDALLULU-SXGWCWSVSA-N 323.348 4.565 30 20 DJED CCCCCCC[C@H](C)CNC(=O)c1c(C)noc1C(F)F 746152331 HEJRTJDMICMYGP-NSHDSACASA-N 316.392 4.647 30 20 DJED N#Cc1ccccc1/C=C/C(=O)c1ccc(-c2ccncc2)cc1 755601037 LVRHALDJIWTDCB-MDZDMXLPSA-N 310.356 4.516 30 20 DJED CC(C)c1cccc2c1OCCC[C@@H]2NCc1ccc(C#N)cc1 769873769 IJSHZBIYXKGKDH-FQEVSTJZSA-N 320.436 4.685 30 20 DJED N#Cc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)o2)ccc1F 770572935 UZMLHGZZGDHNIL-VQHVLOKHSA-N 317.319 4.853 30 20 DJED C#CCCCCC(=O)N(Cc1ccccc1F)C1CCCCC1 773334454 QPDLXFFOOSNFRO-UHFFFAOYSA-N 315.432 4.681 30 20 DJED C#CC[C@@H](NCc1c(Cl)ccc2cccnc12)c1ccccc1 775402917 DGKGUBXKRMYWSY-LJQANCHMSA-N 320.823 4.742 30 20 DJED CCCCCCCCc1nnc(NCc2cncs2)s1 777508878 ULKICYBINIDWQY-UHFFFAOYSA-N 310.492 4.510 30 20 DJED CCOc1cc(/C=C\C(=O)c2cc3ccccc3s2)ccc1O 780188547 MFHBZQKCUNDPFL-NTMALXAHSA-N 324.401 4.902 30 20 DJED Cc1c(C(=O)/C=C\c2c(F)cccc2Cl)cnn1C(C)(C)C 787187232 SFFHHJMCIJXXKW-HJWRWDBZSA-N 320.795 4.635 30 20 DJED C=CC[C@@H](OC(=O)c1ccccn1)c1ccc(Cl)c(Cl)c1 797552963 ARIGXSZMZCUWPT-OAHLLOKOSA-N 322.191 4.863 30 20 DJED CC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc(Cl)c1O 806141058 FLBSHPDJXCKEJK-SJCJKPOMSA-N 314.816 4.719 30 20 DJED Clc1ncccc1C=NN(c1ccccc1)c1ccccc1 814685858 POXAOCHPTMGDLO-UHFFFAOYSA-N 307.784 4.907 30 20 DJED CSc1ccc(CCCC(=O)OCCCC(C)(C)C#N)cc1 829624920 VYKYOVVNXFXHDC-UHFFFAOYSA-N 319.470 4.604 30 20 DJED N#Cc1cccc([C@@H]2C[C@H]2c2nc(-c3cccc(Cl)c3)no2)c1 904289187 OIZBXKYAEHILDC-JKSUJKDBSA-N 321.767 4.533 30 20 DJED Cc1nc2c(s1)[C@@H](N(C)CCCCC1(C#N)CCC1)CCC2 929975230 DHLFWNXOUMZHGX-INIZCTEOSA-N 317.502 4.625 30 20 DJED C[C@H](C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@H](C)CC2)C(C)(C)C 1129474256 KWFPBJHIMJOMMR-IJLUTSLNSA-N 318.486 4.926 30 20 DJED Cc1ccc(F)cc1CSc1nc2c(cc1C#N)CCCC2 1165464126 UKKKYONFXUJDJV-UHFFFAOYSA-N 312.413 4.572 30 20 DJED C[C@@H]1CCC[C@@H](Nc2c(C#N)cnc3c(Cl)cccc23)[C@@H]1C 1306915802 NPLARKGFDMEDDH-XHBSWPGZSA-N 313.832 4.996 30 20 DJED CCC[C@@H](c1ccccc1)c1nnc(-c2cccc(C#N)c2)o1 1341641112 ZNDQNAVFVLBTDI-KRWDZBQOSA-N 303.365 4.540 30 20 DJED CCC(C#N)(CC)C(=O)O[C@H](C)c1sc(C(C)C)nc1C 1343400885 SIEMVJSGVNNVJE-GFCCVEGCSA-N 308.447 4.509 30 20 DJED C[C@@H](C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccc(Cl)cc1 1351349225 RPCQVNQSVGGVDH-SNVBAGLBSA-N 319.191 4.607 30 20 DJED CCCCN(Cc1ccc(C#N)cc1F)[C@H]1CCC[C@@H](C)C1 1462280494 CBYMEVUPCPPVNM-QAPCUYQASA-N 302.437 4.878 30 20 DJED CCSc1cccc(NC(=O)[C@H](C#N)CCc2ccccc2)c1 1465211817 VRZDUAJKCIDZOP-INIZCTEOSA-N 324.449 4.510 30 20 DJED CC[C@@H](C#N)Oc1cccc(CNC[C@H]2CCCC(C)(C)C2)c1 1474008197 WYTITYJNNOALSE-ROUUACIJSA-N 314.473 4.674 30 20 DJED C[C@H](CCc1ccccc1)CNCc1ccc(C#N)c(Cl)c1 1474125729 VEHAJLSBBJOPNP-OAHLLOKOSA-N 312.844 4.570 30 20 DJED CC(C)c1cc(N[C@H](C)c2ccc(C#N)cc2)nc(C(C)C)n1 1639349883 ZHPKALFAPOOOSK-CQSZACIVSA-N 308.429 4.768 30 20 DJED N#CC1(CCN2CCS[C@@H](c3ccccc3)C2)CCCCC1 1643718776 NTRYURNJEMAJEY-GOSISDBHSA-N 314.498 4.641 30 20 DJED CC(C)CN(CCc1ccc(C#N)cc1)c1ccccc1Cl 1644164377 VKKPPZOAXBHAAO-UHFFFAOYSA-N 312.844 4.917 30 20 DJED Cc1cccc2nc(N(Cc3ccc(C#N)cc3)C3CC3)sc12 1651683488 TUKYGSFZKKDFLM-UHFFFAOYSA-N 319.433 4.645 30 20 DJED Cc1cc(SCc2cc(-c3cccs3)on2)ccc1C#N 1652911976 KFZVRCQYBPCHQZ-UHFFFAOYSA-N 312.419 4.876 30 20 DJED N#Cc1ccc(CNCc2ccc(-c3cccs3)cc2)c(F)c1 1656586016 DRDNKLGYDZZMOV-UHFFFAOYSA-N 322.408 4.716 30 20 DJED COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1O 6340694 SJWFVRHVHOCWSK-AATRIKPKSA-N 323.175 4.604 30 20 DJED C=CCOc1ccc(CN[C@@H](C)c2csc(C(C)C)n2)cc1 76900271 KYLSXBFOLBTIRS-AWEZNQCLSA-N 316.470 4.682 30 20 DJED C=CCOCCCC(=O)Nc1c(C(C)C)cccc1C(C)C 79684854 MENIHWKTMFJVQX-UHFFFAOYSA-N 303.446 4.855 30 20 DJED O=C(/C=C\c1ccc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 102956412 MVIFREUIARRRGQ-LUAWRHEFSA-N 319.316 4.751 30 20 DJED Cc1ccc(C(=O)/C=C/c2cccc(OCCCC#N)c2)cc1C 110424752 JUXGFYVGRLORMB-PKNBQFBNSA-N 319.404 4.882 30 20 DJED Cc1nc(CSCc2ccccc2C(C)(C)C#N)cs1 133997384 WKQMDZYOIWFBOA-UHFFFAOYSA-N 302.468 4.686 30 20 DJED N#CCC[C@H](NCC1CCC(C(F)(F)F)CC1)c1ccccc1 183750624 UMBOEWGTTSTNPK-PREGVCBESA-N 324.390 4.990 30 20 DJED C[C@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 193045840 YWXBKHBSDQZTEI-WMLDXEAASA-N 313.445 4.530 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@H](C)c1ccc(C#N)cc1 195614527 PCKCOAIRWLITCQ-KDOFPFPSSA-N 308.425 4.824 30 20 DJED CC(C)c1ccc(-c2nnc(S[C@@H]3CC[C@H](C#N)C3)o2)cc1 296100271 UOBWSNUGPZITHB-SWLSCSKDSA-N 313.426 4.644 30 20 DJED N#Cc1c(Cl)nsc1N1CCC[C@H]1c1cccc(Cl)c1 301538238 NGMNNKVXINVYRC-LBPRGKRZSA-N 324.236 4.663 30 20 DJED N#CCOc1ccc(N[C@@H]2CCCC[C@H]2c2ccccc2)cc1 319649337 AMWWBAVJPJQGSE-VQTJNVASSA-N 306.409 4.727 30 20 DJED C=CCC[C@@H](NCc1cc(C)on1)c1ccc(C(F)(F)F)cc1 342217250 FPOCHESZDSPRQU-MRXNPFEDSA-N 324.346 4.799 30 20 DJED CCCCCCCC(=O)N1CCC(c2ncc(C)s2)CC1 365333925 ZCGKXFBIWGFDFO-UHFFFAOYSA-N 308.491 4.518 30 20 DJED N#Cc1cccc(NC(=O)N2CCCCC[C@H]2c2ccccc2)c1 409737819 CAZFGOQFVDPQIF-IBGZPJMESA-N 319.408 4.707 30 20 DJED N#CC1(CN[C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCC1 418144720 UZLKSCUQPCWMIO-GDBMZVCRSA-N 322.374 4.625 30 20 DJED C=CCN(C(=O)[C@@]12CCC[C@@H]1C2)c1nc(-c2ccccc2)cs1 421459745 VHHRMRPKPQXZGO-DNVCBOLYSA-N 324.449 4.519 30 20 DJED CCS[C@H]1CCCC[C@@H]1NCc1ccccc1C(C)(C)C#N 429675273 XBQXSKNJGMZGFP-ROUUACIJSA-N 316.514 4.642 30 20 DJED Cc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)c(F)c1 429934871 XKSAQHAKMWRMSI-UHFFFAOYSA-N 324.380 4.781 30 20 DJED Cc1noc(C)c1-c1ccc(OCc2ccc(CC#N)cc2)cc1 432302837 ORTCRFPHIRYYTQ-UHFFFAOYSA-N 318.376 4.604 30 20 DJED CC[C@H](CC#N)N[C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 442856615 RDACUCCUJKPGNV-NUEKZKHPSA-N 310.363 4.623 30 20 DJED C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CCCC#N 462204478 RSMWLVIEMDJORP-INIZCTEOSA-N 306.409 4.567 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccn1C(C)C 486892410 YUHFSYBAZNLQFK-UHFFFAOYSA-N 322.861 4.612 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1cccc(OCCC)c1 514513444 LUYRYGJXKGVKLD-UHFFFAOYSA-N 324.424 4.696 30 20 DJED C=C(C)CN(CC)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 533778656 WCPKGVVAOUZCTD-UHFFFAOYSA-N 324.346 4.758 30 20 DJED C=CCC[C@H](NC(=O)N1C[C@H]2CCC[C@@H](C2)C1)c1ccccc1 557941181 QBTUPRRAPZNWOC-LNLFQRSKSA-N 312.457 4.526 30 20 DJED CC(C)(CCC#N)CN[C@@H](c1ccc(F)cc1)C1CCCC1 558238299 FOJCEFXQGZRVQK-GOSISDBHSA-N 302.437 4.977 30 20 DJED C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1c(F)cccc1Cl 564427939 OOZODMMHOZGUEW-DIFFPNOSSA-N 314.791 4.689 30 20 DJED CCCCc1nc(CSc2cccc(F)c2C#N)cs1 576898927 RDSNBRBEILBTRP-UHFFFAOYSA-N 306.431 4.789 30 20 DJED CC[C@H](NCCC1CC(OC(C)(C)C)C1)c1ccc(C#N)cc1 580514481 KVEITLKYQRETMA-KVZIAJEVSA-N 314.473 4.583 30 20 DJED Cc1ncsc1CNc1cccc(Oc2ccc(C#N)cc2)c1 583315139 OYVUESBUKGKPPZ-UHFFFAOYSA-N 321.405 4.728 30 20 DJED Cc1cc(CNC(=O)CCCCCC#N)ccc1-c1ccccc1 588164878 WTHZEDNFIKHLAM-UHFFFAOYSA-N 320.436 4.752 30 20 DJED CCN(Cc1ccc(Cl)s1)C(=O)CC1(C#N)CCCCC1 596702615 YOCUWOGVPALLQG-UHFFFAOYSA-N 324.877 4.614 30 20 DJED CC[C@@H](c1ccccc1)N(C(=O)c1sccc1C#N)C(C)C 598886826 WYADGAPTBRJIPO-INIZCTEOSA-N 312.438 4.622 30 20 DJED Cc1cc(C)cc(NC(=O)CS[C@@H](C)c2ccc(C#N)cc2)c1 609825881 YXUWTYWEZPXKJQ-HNNXBMFYSA-N 324.449 4.608 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1C[C@H](c2ccccc2F)C1 619554147 QSGUKHACLCSSAX-CBGDNZLLSA-N 320.411 4.611 30 20 DJED C=C(C)[C@@H](NCc1cc2ccccc2[nH]1)c1ccc(F)c(F)c1 683930414 MEBCZPQWOPKBAX-LJQANCHMSA-N 312.363 4.853 30 20 DJED C[C@H](c1cc2ccccc2o1)N(C)Cc1ccc(OCC#N)cc1 731210625 WHIQAJBDUPIXGG-OAHLLOKOSA-N 320.392 4.528 30 20 DJED COc1cc(C)ccc1C(=O)/C=C\c1cnc(C(C)(C)C)s1 736432897 KAKXKFSGCMIBLG-CLFYSBASSA-N 315.438 4.654 30 20 DJED CC(C)c1cccc2c1OC/C(=C\c1ccc(Cl)nc1)C2=O 753900586 OAEAYGWUHJOULC-MDWZMJQESA-N 313.784 4.517 30 20 DJED CC(=NNc1cc(Cl)ccc1Cl)c1ccc(C#N)s1 762449463 MVXKGYQISNEPEY-UHFFFAOYSA-N 310.209 4.763 30 20 DJED Cc1cc(CNc2ccc(SC(F)F)cc2)ccc1C#N 767685185 FSEYNQKOGSPNNK-UHFFFAOYSA-N 304.365 4.794 30 20 DJED CCOc1ccccc1-c1cccc(C(=O)OCCCCC#N)c1 772128928 ZRCHJWUMJZCUEL-UHFFFAOYSA-N 323.392 4.603 30 20 DJED CCC[C@H](NCc1cc(C#N)ccc1F)c1ccc(Cl)cc1 773030153 LKUDUVRDSAEWAO-SFHVURJKSA-N 316.807 4.982 30 20 DJED C#CC[C@H](NCc1c(C)cc(C)c(C(C)=O)c1C)c1ccccc1 775401209 WPQDYVLIDXESIX-NRFANRHFSA-N 319.448 4.669 30 20 DJED CC(=NNc1ccc(Cl)cc1Cl)C1CCSCC1 777426745 IIKDRCFMSXXLDC-UHFFFAOYSA-N 303.258 4.924 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=S)N[C@H]1CCCC[C@H]1C 794995554 OWWSIZPBTKASJP-AEFFLSMTSA-N 316.514 4.518 30 20 DJED COc1cc(C)ccc1C(=O)/C=C\c1cc2cccc(OC)c2o1 797280194 PAMCZUAWEVJHIS-NTMALXAHSA-N 322.360 4.655 30 20 DJED C#C[C@@H](NCc1ccc2occc2c1)c1ccc(Cl)cc1F 809699457 ONIUCCYIVLFPPB-QGZVFWFLSA-N 313.759 4.689 30 20 DJED N#C[C@H](C(=O)C1[C@@H]2CCCCCC[C@@H]12)c1ccc2ccccc2n1 850741679 MVNOLOKSHJAPGW-ZACQAIPSSA-N 318.420 4.627 30 20 DJED N#CC1(CCCCSCCC2SCCS2)CCC1 901801170 AOQVVZLVDNFHAK-UHFFFAOYSA-N 301.546 4.780 30 20 DJED C[C@@H](Cc1ccc(C#N)cc1)c1nc(-c2cccc(Cl)c2)no1 904288745 GSNIKLMLHQHQGX-LBPRGKRZSA-N 323.783 4.608 30 20 DJED CC(C)[C@H](Nc1ccc(Cl)c(C#N)n1)c1ccc(F)cc1 1159061647 NMPNPXMSKGSUNM-INIZCTEOSA-N 303.768 4.555 30 20 DJED Cc1nc(N[C@@H](C)c2ccc(F)cc2Cl)c(Cl)cc1C#N 1163378245 QJFKTBOROWMMHQ-VIFPVBQESA-N 324.186 4.881 30 20 DJED Cc1c(Cl)cnc(N[C@H]2CCCCC23CCCC3)c1C#N 1163408487 MEUSGAYWWIZANJ-HNNXBMFYSA-N 303.837 4.830 30 20 DJED N#Cc1ccccc1OCc1ccccc1OCc1ccccc1 1164659332 JPSWIUSDTYXKPU-UHFFFAOYSA-N 315.372 4.716 30 20 DJED Cc1cc(N[C@H](Cc2ccccc2)c2cccs2)ncc1C#N 1185337440 DKULLTBDKLRGMG-QGZVFWFLSA-N 319.433 4.719 30 20 DJED Cc1c(C#N)cccc1NC(=O)N(C)C[C@H](C)C1CCCCC1 1201839900 PUACPFWDUXHLCS-AWEZNQCLSA-N 313.445 4.547 30 20 DJED Cc1cc(C#N)ccc1CN(C)Cc1cccc2ccccc12 1233080744 BJSVPOMQRXQYNS-UHFFFAOYSA-N 300.405 4.652 30 20 DJED CC(C)(C)c1ccc2c(c1)CCCN2Cc1ccc(C#N)s1 1307585551 JDKZOUFOKBSRDB-UHFFFAOYSA-N 310.466 4.870 30 20 DJED CC(C)(c1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1Cl 1322257594 WNYNVWCJFXGYII-UHFFFAOYSA-N 323.783 4.588 30 20 DJED N#Cc1ccc(NCCc2coc(-c3ccccc3)n2)cc1Cl 1327862832 CZBUPFAMOFJTRP-UHFFFAOYSA-N 323.783 4.521 30 20 DJED COc1ccc(CNc2ccccc2OCCC(C)C)cc1C#N 1461613280 SPFICPKJUKWRPE-UHFFFAOYSA-N 324.424 4.604 30 20 DJED C[C@H](Cc1ccccc1C(F)(F)F)Nc1cccc(C#N)c1 1462030014 SXHBJZQZXKKOBM-GFCCVEGCSA-N 304.315 4.620 30 20 DJED CC(C)Oc1ccc([C@H](C)NCCC2(C#N)CCCCC2)cc1 1473339534 BYGYZVFRMHKSOZ-KRWDZBQOSA-N 314.473 4.989 30 20 DJED CC(C)(C(=O)Nc1ccc(C#N)cc1Cl)C1CCCCC1 1533459409 WKHNWPUIKRYUEE-UHFFFAOYSA-N 304.821 4.757 30 20 DJED Cc1cc(N[C@@H](C)CC(C)(C)C#N)cnc1N1CCCC[C@H]1C 1560703507 HXXYBUYDNCEHPD-JKSUJKDBSA-N 314.477 4.509 30 20 DJED C[C@@H](CC(=O)N(C)c1ccc(C#N)c(Cl)c1)CC(C)(C)C 1596377068 VEYWVEJJXNWLBE-LBPRGKRZSA-N 306.837 4.637 30 20 DJED C[C@H](Nc1cccc(C#N)n1)c1ccc(Cl)c2ccccc12 1642610047 OGMGVZKETQOAOT-LBPRGKRZSA-N 307.784 4.933 30 20 DJED Cc1nsc(Oc2ccc(Cl)c(C(F)(F)F)c2)c1C#N 1654885646 FMNCXGINGBLBTO-UHFFFAOYSA-N 318.707 4.788 30 20 DJED N#Cc1ccc(OC/C=C\c2ccc(Cl)cc2)c(Cl)c1 1656154635 QOQHDKFPGBMFGJ-UPHRSURJSA-N 304.176 4.957 30 20 DJED Cc1cc(CN(Cc2ccc(C#N)cc2)C(C)C)ccc1Cl 1657224446 WNBXGFWBRUTYTI-UHFFFAOYSA-N 312.844 4.931 30 20 DJED C[C@H](CCC#N)CN1CCc2ccccc2[C@H]1Cc1ccccc1 1657392781 RRIAZGZCHPNRPK-XMSQKQJNSA-N 318.464 4.768 30 20 DJED Cc1ccc(Cl)cc1Oc1ccccc1CN[C@@H](C)CC#N 1658516834 DVAYOWFNLOMUKL-AWEZNQCLSA-N 314.816 4.833 30 20 DJED CC(C)Cc1ccc([C@H](C)[C@H](C)NCC(C)(C)CC#N)cc1 1659994949 JUUZYYLXQJKNBD-SJORKVTESA-N 300.490 4.907 30 20 DJED Cc1cccc(-c2ccc(NCc3cc(C#N)cs3)nc2)c1 1662907589 JZPQXDFVTWTDHX-UHFFFAOYSA-N 305.406 4.602 30 20 DJED CCCC(=NNc1ccc(Cl)c(C(=O)O)c1)c1ccsc1 1776033680 QOOLADKQVGUEJQ-UHFFFAOYSA-N 322.817 4.716 30 20 DJED CC(C)(C)c1ccc(C(=O)/C=C\c2ccc(C(=O)O)cc2)cc1 33797342 RMOWCLCULQBBTP-MLPAPPSSSA-N 308.377 4.578 30 20 DJED C#Cc1cccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1 43983471 GXDIIMSGTZCERI-GOSISDBHSA-N 324.811 4.690 30 20 DJED COc1cc(C(=O)/C=C/c2ccc(C)s2)ccc1SC 50234574 YFABXHHAOXZIRC-BQYQJAHWSA-N 304.436 4.683 30 20 DJED Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1cccc(F)c1F 78561366 KFUKANOSWRAXAI-CMDGGOBGSA-N 321.392 4.923 30 20 DJED Cc1cc(F)ccc1-c1ccc(CNCc2cccc(C#N)c2)o1 115611709 VUDCYQBCZLFWTJ-UHFFFAOYSA-N 320.367 4.556 30 20 DJED N#C[C@H]1CCC[C@@H](N[C@@H]2CCSc3ccc(Cl)cc32)C1 185805235 FBRGAZSEWFZLPB-NJZAAPMLSA-N 306.862 4.549 30 20 DJED CC(C)(C)c1cc(NC(=O)c2csc(Cl)c2)c(C#N)s1 188037183 PELUWNVNJBCEQP-UHFFFAOYSA-N 324.858 4.884 30 20 DJED N#Cc1ccc(Nc2cccc(Cl)c2)cc1Br 228175380 INROWCSSBQRWTH-UHFFFAOYSA-N 307.578 4.718 30 20 DJED CCCC[C@H](C)N(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 289999671 YAUCRLYVUPNBIS-AWEZNQCLSA-N 301.434 4.530 30 20 DJED C[C@H](NCc1ccc(C(C)(F)F)cc1)c1cccc(C#N)c1 293585204 CHCWXWXGQAFSDD-ZDUSSCGKSA-N 300.352 4.521 30 20 DJED C[C@H](Sc1ccc(C#N)nn1)c1ccc(Cl)c(Cl)c1 301893975 AVPPCAOMXALKGF-QMMMGPOBSA-N 310.209 4.508 30 20 DJED C=C(C)[C@H](Nc1ccc(Cl)c(C#N)n1)c1ccc(F)c(F)c1 302356471 DSLXZFSUWVMYSQ-INIZCTEOSA-N 319.742 4.614 30 20 DJED N#Cc1cccc(CNc2ccc(OCc3ccccc3)cc2)c1 310506856 ORBVVJWLOBMILW-UHFFFAOYSA-N 314.388 4.749 30 20 DJED Cc1cc(O)nc2cc(/C(O)=N/[C@@H]3CC[C@@H]4CCC[C@H]4C3)ccc12 329329978 LJAMBXQAMQBITC-OFQRWUPVSA-N 324.424 4.522 30 20 DJED O/C(=N/Cc1csc(O)n1)C1(C2CCCCC2)CCCCC1 329940438 BQQQPJBZOVJVET-UHFFFAOYSA-N 322.474 4.836 30 20 DJED CC(C)c1ccccc1NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 424112649 KVXQOPYYLANXEB-HNNXBMFYSA-N 321.424 4.907 30 20 DJED CC[C@@H](F)CN[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 440493427 WQSZZSWLNPOFKU-MNOVXSKESA-N 317.248 4.647 30 20 DJED N#C[C@@H]1CC[C@H](Nc2cccc(COCCc3ccccc3)c2)C1 442852194 FXGOAYLGAOIORC-NQIIRXRSSA-N 320.436 4.550 30 20 DJED C=CCN(C(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccccc1 445520220 SBXZVGSAZIJBNB-UHFFFAOYSA-N 323.289 4.677 30 20 DJED C[C@@H](CCc1ccsc1)Nc1cccc(OCCCC#N)c1 462792232 DTLPMBZNZHFOGW-HNNXBMFYSA-N 314.454 4.864 30 20 DJED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCC1CCCCC1 464940331 KYJAQASITISDNS-PMACEKPBSA-N 324.468 4.645 30 20 DJED Cc1cccc2cc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)oc12 474438102 YHOGRWBAHQORCL-ZDUSSCGKSA-N 324.405 4.811 30 20 DJED COc1cc(NCc2ccccc2C(C)(C)C#N)c(C)cc1C 480309186 JQCSFWKIXKCIPF-UHFFFAOYSA-N 308.425 4.725 30 20 DJED CC(C)(C#N)CC(=O)N1CCCc2cc(-c3ccccc3)ccc21 486331923 ZYCNHPXTYBFRAB-UHFFFAOYSA-N 318.420 4.573 30 20 DJED C[C@H](Nc1ccc(C#N)cn1)c1ccccc1Oc1ccccc1 506769438 YPLCZRILGDSHCZ-HNNXBMFYSA-N 315.376 4.919 30 20 DJED CCCc1ccc(C(=O)Nc2cc(C#N)ccc2OC(C)C)cc1 516781455 WFNPEFXOPFXMBP-UHFFFAOYSA-N 322.408 4.550 30 20 DJED CC[C@H](SCC1(C#N)CC1)c1ccc(Br)cc1 538415841 LAFIAXCIPLFRFX-ZDUSSCGKSA-N 310.260 4.937 30 20 DJED CCN(C(=O)[C@@H](C)CCCc1ccccc1)c1ccc(C#N)cc1 538416287 ZLQFWQBJNAXYAA-KRWDZBQOSA-N 320.436 4.570 30 20 DJED N#Cc1ccc2c(c1)[C@H](N[C@@H](c1ccc(F)cc1)C1CCC1)CC2 583722585 FIZRSPFRLGUFQX-NHCUHLMSSA-N 320.411 4.816 30 20 DJED COc1ccc2oc(/C=C\C(=O)c3cccc(F)c3F)cc2c1 588386853 DGBMSABGEGXGTP-ALCCZGGFSA-N 314.287 4.616 30 20 DJED N#C[C@H](C(=O)c1sccc1C1CC1)c1ccc2ccccc2n1 591862331 PRDNFUJXNPQXBP-HNNXBMFYSA-N 318.401 4.664 30 20 DJED N#Cc1ccc(SCc2cc(C3CC3)no2)cc1C(F)(F)F 594898563 UREJDXKUDPPZCI-UHFFFAOYSA-N 324.327 4.735 30 20 DJED CCC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 610829705 FUCCEAPRHUNFHW-LIRRHRJNSA-N 323.396 4.658 30 20 DJED O=C1/C(=C/c2cccc(OC(F)(F)F)c2)Cc2c(F)cccc21 727974460 KIGCCHQESNDAER-YRNVUSSQSA-N 322.257 4.547 30 20 DJED O=C1/C(=C/c2ccc(C(F)(F)F)cc2)CCOc2ccccc21 728441382 IRPKFTCWJMTFTG-ACCUITESSA-N 318.294 4.754 30 20 DJED O=C(/C=C\c1cc2ccccc2o1)c1c(Cl)nc2ccccn12 737446013 LEYFERRAOYADJZ-HJWRWDBZSA-N 322.751 4.630 30 20 DJED C=CCCCCCN(C)C(=O)c1ccccc1OCC(C)C 739654491 OITLBQYACZXJQX-UHFFFAOYSA-N 303.446 4.540 30 20 DJED CC(C)(C)c1ccc(CNc2snc(Cl)c2C#N)cc1 746079768 VYZFIJARQOCYBF-UHFFFAOYSA-N 305.834 4.578 30 20 DJED C#Cc1cccc(NC(=O)N(CCC)[C@H]2CCc3ccccc32)c1 746658173 CECIJDQFXBAYIJ-FQEVSTJZSA-N 318.420 4.599 30 20 DJED O=C(/C=C\c1ccccc1F)c1cc(Br)ccc1F 763123263 ZVFYHLIJAKTFLH-YVMONPNESA-N 323.136 4.623 30 20 DJED C#CCOc1ccc([C@@H](C)N[C@H](C)c2cc(C)sc2C)cc1 764764974 XBMSAPOHEMJVMC-HUUCEWRRSA-N 313.466 4.789 30 20 DJED CSc1ccc2c(c1)CC/C(=C\c1ccc(F)c(C#N)c1)C2=O 770574462 XKYLYAKKJPJWFP-RIYZIHGNSA-N 323.392 4.632 30 20 DJED C[C@@H](Cc1ccc(Cl)cc1)Nc1ccccc1O[C@H](C)C#N 780744613 LJSFJOHLPDSVSX-UONOGXRCSA-N 314.816 4.674 30 20 DJED CC(=NNc1cccc2cnccc12)c1ccc(C#N)cc1Cl 788428297 ZASVWWBLPOMUFO-UHFFFAOYSA-N 320.783 4.596 30 20 DJED C[C@H](Nc1ccccc1O[C@H](C)C#N)C1CCC(F)(F)CC1 788980903 PDSAYDUQYZJSOP-OLZOCXBDSA-N 308.372 4.603 30 20 DJED C[C@H]1C[C@@H](C)C[C@H](C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)C1 797566617 OVPIRXZAYNTTLW-ZOBORPQBSA-N 318.486 4.689 30 20 DJED CC(CC(C)(C)c1c[nH]c2ccccc12)=NOCc1cccnc1 799483784 USIXSTLDPMUYMM-UHFFFAOYSA-N 321.424 4.823 30 20 DJED C#CCCCS[C@H](C)C(=O)Nc1c(C)cccc1C(C)C 808363418 GKUOBSGPDLWIAK-OAHLLOKOSA-N 303.471 4.592 30 20 DJED O=C(/C=C\c1csc2ccccc12)c1ccc([N+](=O)[O-])cc1 810192840 AKFIKIWGNOWLIA-YFHOEESVSA-N 309.346 4.706 30 20 DJED CCCCCCC[C@H](C)N[C@@H]1CCO[C@@H](c2ccccn2)C1 825091388 ZAYMNPWANKQDAI-YQVWRLOYSA-N 304.478 4.640 30 20 DJED CCCN(CCCC1(C#N)CCOCC1)c1ccc(CC)cc1 831760100 UBRFJLABJTWZGQ-UHFFFAOYSA-N 314.473 4.566 30 20 DJED CC(CCCC(F)(F)F)=NNc1cc(C(F)(F)F)ccn1 834984381 VEHWHXIXPPQGNR-UHFFFAOYSA-N 313.245 4.621 30 20 DJED Cn1ncc(C2CC2)c1/C=C\C(=O)c1ccc(Cl)cc1Cl 849242105 VSPKJJYYPCBNBA-SREVYHEPSA-N 321.207 4.500 30 20 DJED FC(F)(F)CC(=NNc1ncccc1Cl)c1ccccc1 917546649 SMBGTHGRVJIOMJ-UHFFFAOYSA-N 313.710 4.504 30 20 DJED O=C1/C(=C/c2cccc(C(F)(F)F)c2)COc2c(F)cccc21 921267047 UTCNLUQQDYTXOS-YRNVUSSQSA-N 322.257 4.503 30 20 DJED CC(C)[C@@H]1C[C@@H](OC(=O)c2ccsc2C#N)c2ccccc21 1128634711 YDRKYNVGIRRSHH-JKSUJKDBSA-N 311.406 4.661 30 20 DJED Cc1cc2c(cc1C)[C@H](Nc1ccc(OCC#N)cc1)CCS2 1320481772 XYEDVTCPONTCSC-GOSISDBHSA-N 324.449 4.855 30 20 DJED CC[C@@H](C)[C@@H](c1ccccc1)c1nnc(-c2ccc(C#N)cc2)o1 1322510485 RHWRNVVQBHOIIG-KDOFPFPSSA-N 317.392 4.786 30 20 DJED N#Cc1ccccc1COc1ccc(Cl)cc1C(F)(F)F 1473010507 JCYQXMHBSYSSBI-UHFFFAOYSA-N 311.690 4.809 30 20 DJED CC[C@@H](CC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C(C)C 1526613160 NTUJOCQSUXLCCD-AWEZNQCLSA-N 316.445 4.746 30 20 DJED CCC[C@H](C(=O)Nc1cccc(C#N)c1)c1cccc(Cl)c1 1530019819 CANFDNSFQOJLSC-KRWDZBQOSA-N 312.800 4.734 30 20 DJED CCN(C(=O)C[C@@H]1CCCC[C@H]1C)c1ccc(C#N)c(Cl)c1 1535606028 VDPXHOUBIBBUGW-KGLIPLIRSA-N 318.848 4.781 30 20 DJED N#Cc1ccc(OCCc2ccc3ccccc3c2)cc1Cl 1559400865 QTUQICSTVROSDV-UHFFFAOYSA-N 307.780 4.986 30 20 DJED C=C(Br)CN1CCCCC[C@H]1/C=C/c1ccccc1 1616321345 AYPSBCSWFBPCCK-FLVLSHQESA-N 320.274 4.853 30 20 DJED CC(C)(C#N)CCN1CCc2ccccc2[C@H]1Cc1ccccc1 1616382386 KPIHQOUMJVKRRV-OAQYLSRUSA-N 318.464 4.768 30 20 DJED Cc1ccc([C@H]2CCCCN2Cc2ccc(C#N)c(C)c2)cc1 1621193345 FDMYXNXNWMORQX-OAQYLSRUSA-N 304.437 4.902 30 20 DJED N#Cc1cc(CN2CC3(CCCC3)c3c(F)cccc32)ccc1F 1644922298 RONPQVRSFKDIGL-UHFFFAOYSA-N 324.374 4.668 30 20 DJED Cc1ccc([C@@H]2CCCCN2Cc2ccc(F)c(C#N)c2)cc1 1652568175 OKQCJHJOGLQCOL-FQEVSTJZSA-N 308.400 4.733 30 20 DJED C[C@H](CC(C)(C)c1ccccc1)NCc1ccc(C#N)cc1F 1661205247 ZFBUDXAWBGEEGH-OAHLLOKOSA-N 310.416 4.543 30 20 DJED CC(C)[C@H]1CCCCCN1C(=O)Nc1ccc(C#N)cc1Cl 1669869065 FIGMLEPFLUSAKX-MRXNPFEDSA-N 319.836 4.644 30 20 DJED CC[C@H](C)c1ccc(C(C)=NNc2ccc(CC(=O)O)cc2)cc1 1776085540 UGFNZAHOQYRSQA-AWEZNQCLSA-N 324.424 4.663 30 20 DJED CC(C)Cc1ccc(C(=O)/C=C\c2ccc(C(=O)O)s2)s1 1776339761 NSLJMOFCFCAENK-UTCJRWHESA-N 320.435 4.602 30 20 DJED Cc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1C 75296748 ASMNYAFTHUIXTA-UHFFFAOYSA-N 312.438 4.786 30 20 DJED N#CCC[C@H](Nc1nc(C(F)(F)F)cs1)c1ccccc1 164304340 XGWKMYLDRWLYOI-NSHDSACASA-N 311.332 4.619 30 20 DJED CCCCOc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1 173934331 BZTWJZWSIHFECB-MRXNPFEDSA-N 308.425 4.588 30 20 DJED C[C@H](N[C@H](C)c1c(F)cccc1Cl)c1cccc(C#N)c1 182000019 PORQHQOIULGSFT-NWDGAFQWSA-N 302.780 4.763 30 20 DJED CC(C)c1cnc(CNc2cccc(OCCCC#N)c2)s1 183498503 BJJYLUNZRMIJMB-UHFFFAOYSA-N 315.442 4.561 30 20 DJED O=C(/C=C\c1nc(-c2ccccc2)cs1)c1cccc(F)c1 209705769 KBPKEGOFJUJFBU-KTKRTIGZSA-N 309.365 4.845 30 20 DJED C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(Oc2cccnc2)cc1 287160115 BRUJTVYSBZTNON-LZLYRXPVSA-N 321.424 4.607 30 20 DJED CCC[C@H](Nc1ccc(C#N)nn1)c1ccc(Cl)c(Cl)c1 301963467 JCVWYVJJUAAAIW-AWEZNQCLSA-N 321.211 4.608 30 20 DJED OC1=NCc2ccc(N=C(O)[C@@H]3CC[C@H]4CCCC[C@H]4C3)cc21 328768643 IESFBXHQZXFVBS-HZSPNIEDSA-N 312.413 4.699 30 20 DJED CC1(C)CCC(/N=C(/O)C2CCC(/N=C(/O)C3CC3)CC2)CC1 330016276 PHILUSUOQXFLHG-UHFFFAOYSA-N 320.477 4.837 30 20 DJED CC1CCC(C/N=C(/O)C2CCC(/N=C(/O)C3CC3)CC2)CC1 330029044 PLGWNXSECMENIR-UHFFFAOYSA-N 320.477 4.695 30 20 DJED Cc1nc(SCCCC#N)n([C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 351868967 ORSPRBKLYCKJAE-LUKYLMHMSA-N 317.502 4.893 30 20 DJED Cc1nc(-c2ccccc2NCc2ccc(F)c(C#N)c2)cs1 359616217 FLKCIYZYZDDLPB-UHFFFAOYSA-N 323.396 4.741 30 20 DJED C=CCN(C)C(=O)Nc1ccccc1Oc1ccccc1Cl 429257302 SPWCWFQYQNTKRJ-UHFFFAOYSA-N 316.788 4.782 30 20 DJED Cc1nc(S[C@H]2CC[C@H](C#N)C2)n(C2CCCCC2)c1C 430093043 DRTPFIXDOWYOIB-HOCLYGCPSA-N 303.475 4.790 30 20 DJED C=CCCC[C@H](C)NC(=O)c1c(Cl)cc(F)cc1Cl 432181226 ZLMGGAOPEZTZGY-VIFPVBQESA-N 304.192 4.607 30 20 DJED N#C[C@@H]1CCC[C@@H](NC2(c3c(Cl)cccc3Cl)CC2)C1 447601484 QBUGMVHWEBDHNN-VXGBXAGGSA-N 309.240 4.654 30 20 DJED CC1(C#N)CCC(N[C@H]2CC[C@H](c3cccc(F)c3)C2)CC1 449297639 GZLHOOCFPSTAKA-BARLLCKDSA-N 300.421 4.524 30 20 DJED CCN(C(=O)CCCC1CCCC1)[C@@H](C)c1ccc(C#N)cc1 463146793 UBSOXQWIILPQNK-INIZCTEOSA-N 312.457 4.828 30 20 DJED CC[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C(C)(C)C#N)cc1 476281612 BZYCLTGAWOPWHZ-MAUKXSAKSA-N 312.457 4.529 30 20 DJED C=C(C)[C@H](NCc1cc(F)cc(F)c1)c1ccc(F)c(F)c1 479405518 DPNAQALSRXCRKO-KRWDZBQOSA-N 309.306 4.650 30 20 DJED CC(C)(C#N)c1ccccc1CN1CC[C@@H](c2cccc(F)c2)C1 487413390 SGEHHHZKOZHYPN-QGZVFWFLSA-N 322.427 4.616 30 20 DJED Cc1cc(CN[C@H](c2ccc(F)cc2F)C(C)C)ccc1C#N 488155500 XCDXJWZCEUTAQV-IBGZPJMESA-N 314.379 4.632 30 20 DJED C=CCOc1ccccc1C(=O)Nc1cc(Cl)ccc1Cl 498263817 MOWLETSOGSNPSN-UHFFFAOYSA-N 322.191 4.811 30 20 DJED CCc1cc(C#N)c(NC(=O)C[C@H](C)C2CCCCC2)s1 508755075 PCOUKHPEAOEDCZ-LBPRGKRZSA-N 304.459 4.727 30 20 DJED CC(C)(C#N)CCN[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 511813365 FEZHYBIUYGPUBB-HZPDHXFCSA-N 324.390 4.871 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1(C)CCCCC1 527323156 QCSHLYLLSIZFJJ-UHFFFAOYSA-N 312.457 4.513 30 20 DJED N#Cc1cccc(CSCc2cc(-c3ccccc3)no2)c1F 540345369 KBGWTGPBNISQCK-UHFFFAOYSA-N 324.380 4.786 30 20 DJED N#Cc1ccc(C2=CCN(Cc3sccc3Cl)CC2)cc1 549392800 CZGHMWAGCXHMNN-UHFFFAOYSA-N 314.841 4.562 30 20 DJED C=CCC[C@@H](NCc1cccc(CSC)c1)c1ccco1 560549106 VYFGFKRZGPZIRA-QGZVFWFLSA-N 301.455 4.940 30 20 DJED C=CCC(C)(C)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C 569715632 LXURUTFKZXAJKO-INIZCTEOSA-N 314.473 4.915 30 20 DJED CCc1ccc([C@@H](NC(=O)CCCCCC#N)C(C)C)cc1 588371089 CNKUUQVICOHWLW-IBGZPJMESA-N 300.446 4.536 30 20 DJED CC(C)(C)[C@@H](NC(=O)CCCCCC#N)c1ccc(F)cc1 588640252 JVPGAKHEXCZYLM-KRWDZBQOSA-N 304.409 4.503 30 20 DJED C[C@@H](NC[C@H](c1ccccc1)C1CC1)c1ccc(C#N)c(F)c1 590255485 PZKJTOJWMPDDHD-AUUYWEPGSA-N 308.400 4.542 30 20 DJED CCOc1cccc2cc([C@H](C)N[C@H](C#N)c3ccccc3)oc12 595433103 VRCLVQWTTKKWDF-WMLDXEAASA-N 320.392 4.747 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccccc1OCCC 606938695 YXVCKNXRFMNRDL-UHFFFAOYSA-N 304.434 4.686 30 20 DJED CCC(=O)c1ccc(NCc2ccccc2C(C)(C)C#N)cc1 629208711 HASXSBWNSFXNFI-UHFFFAOYSA-N 306.409 4.693 30 20 DJED C=C(CN[C@@H](c1ccc(F)cc1)c1ccccn1)c1ccccc1 680338623 FFWFHTWGKFRZDB-NRFANRHFSA-N 318.395 4.613 30 20 DJED CCC(CC)CN(CCC#N)Cc1c(O)ccc2ccccc12 729472071 UUUYBULEHDKQMU-UHFFFAOYSA-N 310.441 4.697 30 20 DJED CC1(c2ccccc2)CC(=NNc2ncc(Cl)cc2Cl)C1 729635924 SDYHYINSUZMXIG-UHFFFAOYSA-N 320.223 4.908 30 20 DJED FC(F)(F)c1cccnc1NN=C1CCC[C@H]1c1ccccc1 732527996 CARYXBDVADKLSB-ZDUSSCGKSA-N 319.330 4.836 30 20 DJED Cc1ccc(N(CCC#N)C(=O)C[C@H](C)c2ccccc2C)cc1 734813008 UHSUGZZZPWWVRP-SFHVURJKSA-N 320.436 4.744 30 20 DJED C=CCN(C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1)C(C)C 735572736 BQNKRVADFMJIDG-UHFFFAOYSA-N 315.417 4.554 30 20 DJED O=C(/C=C/c1ccc(OCC(F)F)cc1)c1ccccc1Cl 741840222 LDAVQUKGYSQZSS-JXMROGBWSA-N 322.738 4.880 30 20 DJED C=C(C)CN(CC)C(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 742532336 JKGKLAQPGSULRU-LCYFTJDESA-N 311.347 4.533 30 20 DJED C#CC[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)c1ccccc1 756997529 WMLPQBJLBMBTCX-QGZVFWFLSA-N 321.317 4.699 30 20 DJED C#CCOc1ccc([C@@H](C)N[C@@H](CC)c2ccc(OC)cc2)cc1 764615029 KVCJASOGJYSKJA-IERDGZPVSA-N 323.436 4.509 30 20 DJED C#CC[C@@H](NC(=O)Nc1cccc(SC)c1C)c1ccccc1 775398137 XMTSAJALGBSXHC-QGZVFWFLSA-N 324.449 4.603 30 20 DJED Cc1cc2c(cc1C)C(=O)/C(=C/c1ccc(Cl)nc1)CS2 777471147 QERDMXHNHJAWEJ-NTUHNPAUSA-N 315.825 4.724 30 20 DJED CCC(=NNc1cc(Cl)ccn1)c1c(F)cccc1Cl 777905807 OQEAILKGYLTEDP-UHFFFAOYSA-N 312.175 4.754 30 20 DJED Cc1ccccc1-c1cccc(/C=C/C(=O)c2cnn(C)c2C)c1 778519786 UASFDWSHVVEERZ-VAWYXSNFSA-N 316.404 4.600 30 20 DJED O=C(/C=C\c1ccc2cnccc2c1)c1nc2ccccc2s1 782311307 CAJBOSCFOYABMV-VURMDHGXSA-N 316.385 4.741 30 20 DJED C[C@H](CNc1ccc(F)cc1OCC#N)c1cccc(Cl)c1 783658925 AEWIXGUFHDGYHV-GFCCVEGCSA-N 318.779 4.597 30 20 DJED CC(C)(C)CCC(=NNc1ccc(Cl)nc1)c1cscn1 807974649 NZETUJZICJRRKC-UHFFFAOYSA-N 322.865 4.834 30 20 DJED CC(=NNc1ccc(F)c(F)c1F)c1c(F)cccc1Cl 814946783 YFXZNLURUOZITQ-UHFFFAOYSA-N 316.685 4.733 30 20 DJED C[C@@H](NC(=O)[C@]1(C#N)CC12CCCC2)c1csc2ccccc12 823147863 DYBGXVBYOOGDGL-BFUOFWGJSA-N 324.449 4.553 30 20 DJED CCc1ccc(-c2noc([C@@H](C)Cc3ccc(C#N)cc3)n2)cc1 904574706 RYCPBGIRUUHOCU-AWEZNQCLSA-N 317.392 4.517 30 20 DJED CCC(=NNc1nncc2ccccc12)c1cccc(Cl)c1 915909944 WEEXYASCPZVXBI-UHFFFAOYSA-N 310.788 4.509 30 20 DJED O=C(/C=C/c1cc([N+](=O)[O-])ccc1Cl)c1cccc(Cl)c1 916137545 HLGCDPPJJOAKOF-QPJJXVBHSA-N 322.147 4.798 30 20 DJED CC(=NNc1ccccn1)c1ccc(Oc2ccccc2)c(F)c1 917536281 MWPVKQHDYWVUIP-UHFFFAOYSA-N 321.355 4.849 30 20 DJED CC[C@@H](C)Oc1cccc(N=Cc2cc3ccccc3nc2O)c1 920177241 DSWVIRMYPNUHOC-CQSZACIVSA-N 320.392 4.868 30 20 DJED Cc1sc(NC(=O)CCCC2CCCCC2)c(C#N)c1C 1124063712 LYTIXHSYPRTYJG-UHFFFAOYSA-N 304.459 4.926 30 20 DJED Cc1ccc(Br)cc1CN(CCC#N)CC(C)(C)C 1167457519 DDXBCNORMMCQJT-UHFFFAOYSA-N 323.278 4.519 30 20 DJED C[C@@H](CC(C)(C)c1ccccc1)Nc1ncc(C#N)cc1Cl 1185107480 QTLBISOVAMHNQX-ZDUSSCGKSA-N 313.832 4.775 30 20 DJED C[C@H]1C[C@@H](c2ccccc2)N(Cc2ccc(C#N)cc2Cl)C1 1194152913 JPOTWXIBQXKYTK-LIRRHRJNSA-N 310.828 4.795 30 20 DJED N#Cc1ccc(CN[C@@H]2CC[C@@H](Cc3ccccc3)C2)cc1Cl 1205506831 IACFUNUXOCTBNI-QFBILLFUSA-N 324.855 4.713 30 20 DJED C[C@@H](CCC#N)N1CCC(c2c(Cl)cccc2Cl)CC1 1307809590 AHSIPIGUVBXOTO-LBPRGKRZSA-N 311.256 4.865 30 20 DJED CCCC[C@H](C(=O)N(c1ccc(C#N)cc1)C1CCC1)C(C)C 1437968161 VHLYDZQZKYPPLD-IBGZPJMESA-N 312.457 4.906 30 20 DJED COc1cccc([C@H](C)Sc2nc(C#N)c(Cl)s2)c1 1458248824 RDILQRGFPDAMEA-QMMMGPOBSA-N 310.831 4.530 30 20 DJED C=C(CNC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1 1465204351 JMAPUTKWDZHYGR-UHFFFAOYSA-N 308.425 4.819 30 20 DJED C[C@@H](CC1(C#N)CCOCC1)NC1CCC2(CCCCC2)CC1 1474445436 FFEDEJZMNZFLIM-KRWDZBQOSA-N 318.505 4.568 30 20 DJED C[C@H](OC(=O)c1cccc(C(C)(C)C)c1)c1ccc(C#N)cc1 1524303049 UZAAGJMMYVHUOV-AWEZNQCLSA-N 307.393 4.774 30 20 DJED CC(C)[C@H]1CC[C@H](C(=O)Nc2cc(C#N)c3ccccc3n2)CC1 1525650746 JNQCDTCPYOGXBK-SHTZXODSSA-N 321.424 4.507 30 20 DJED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 1530388318 LOKOUKSKRYZIHY-OLZOCXBDSA-N 316.470 4.653 30 20 DJED N#Cc1ccc(OCc2cccc(SC(F)(F)F)c2)cc1 1559327394 BMSFZMYKUOZFGX-UHFFFAOYSA-N 309.312 4.749 30 20 DJED CN(Cc1ccc(-c2ccccc2C#N)cc1)C(C1CC1)C1CC1 1652394946 HTFVGMRKMXCKGG-UHFFFAOYSA-N 316.448 4.846 30 20 DJED N#Cc1ccc(SCc2ccc(-c3ncco3)cc2F)cc1 1652612404 CYPNKWUGMOJMBD-UHFFFAOYSA-N 310.353 4.645 30 20 DJED CC(C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 46706817 FLPMXFVVTSCLHW-CYBMUJFWSA-N 318.829 4.686 30 20 DJED C[C@H](c1ccccc1Cl)N(C)Cc1ccc(C#N)cc1F 58000631 LLNWLBBWCJTEID-GFCCVEGCSA-N 302.780 4.544 30 20 DJED CCC(CC)N(CC(C)C)C(=O)c1cccc(SCC#N)c1 79547329 NEPGBBLTTPEJPF-UHFFFAOYSA-N 318.486 4.589 30 20 DJED CCCCOc1ccc(CNc2ccccc2O[C@@H](C)C#N)cc1 181132639 PKNSMDXBEKWMPX-INIZCTEOSA-N 324.424 4.768 30 20 DJED Cc1cc(CNc2ccc(C#N)c(C(F)(F)F)c2)ccc1F 303338737 CUXPIXIUUDYXHY-UHFFFAOYSA-N 308.278 4.637 30 20 DJED C[C@@H](Nc1cccc(-c2nccs2)c1)c1ccc(C#N)cc1 314736566 REABNSXPIKFDQB-CYBMUJFWSA-N 305.406 4.855 30 20 DJED OC(C/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@H]21)=Nc1ccccc1 329038993 ZQEYWQZJQQNDHI-USXIJHARSA-N 314.429 4.838 30 20 DJED CC(C)(CC/C(O)=N/[C@@H]1C=CCCC1)/C(O)=N/[C@@H]1C=CCCC1 329794766 CFUWUMXDLVUUMT-HZPDHXFCSA-N 318.461 4.923 30 20 DJED C=C(C)CNC(=O)c1cc(Cl)ccc1SC1CCCC1 427942457 KIMCFAYTTMDXOB-UHFFFAOYSA-N 309.862 4.681 30 20 DJED CC(C)c1ccc(CN(C(=O)c2cc(C#N)cs2)C2CC2)cc1 437411439 VWPUTZFPKCOAGX-UHFFFAOYSA-N 324.449 4.548 30 20 DJED CC1(C#N)CCC(Nc2ccc3oc(C(F)(F)F)nc3c2)CC1 449218695 ADTANYWOPZLIFS-UHFFFAOYSA-N 323.318 4.731 30 20 DJED C[C@H](CCC(C)(C)C)C(=O)Nc1ccc(CC#N)cc1Cl 452645777 PEHHSZDZXASBNA-GFCCVEGCSA-N 306.837 4.807 30 20 DJED N#Cc1ccc(CN[C@H]2CCCc3c(Cl)cccc32)cc1F 453394054 VRBHPJPTZDARTF-SFHVURJKSA-N 314.791 4.518 30 20 DJED Cc1ccccc1[C@H](NC(=O)CCCC#N)[C@@H]1CCC[C@@H](C)C1 462076137 STFGTWQDABFXLD-WRWLIDTKSA-N 312.457 4.673 30 20 DJED Cc1cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc(C)c1Cl 462541908 JEAWUSDRQFSPEE-ZDUSSCGKSA-N 312.800 4.571 30 20 DJED CC(C)(C)c1ccc(C2(NC(=O)CCCC#N)CCCC2)cc1 464199582 RJULKIADLOVQAH-UHFFFAOYSA-N 312.457 4.563 30 20 DJED CC(C)(C#N)c1ccc(C(=O)Nc2cccc(Cl)c2F)cc1 474294382 YNXXLZHZWAWZQQ-UHFFFAOYSA-N 316.763 4.533 30 20 DJED C=CCC1(C(=O)N[C@@H](C)c2ccc(SCC)cc2)CCC1 480167718 RKEWVFSLQHIZDX-AWEZNQCLSA-N 303.471 4.722 30 20 DJED CC(C)(C)[C@H]1C[C@@H](Nc2cccc(OCCCC#N)c2)CS1 488339586 OBAFADVBGKPAHF-NVXWUHKLSA-N 318.486 4.701 30 20 DJED C=CCN(CC=C)C(=O)[C@H](C)S[C@H](C)c1cccc(Cl)c1 498110094 NCEAHLFDMNTIGC-KGLIPLIRSA-N 323.889 4.723 30 20 DJED Cc1ccc(-c2ncc(CNc3cc(C#N)ccc3C)s2)o1 501005093 QPZZTEDEEJTSEI-UHFFFAOYSA-N 309.394 4.504 30 20 DJED C=C(C)[C@@H](NC(=O)N(CC)C1CCCC1)c1ccc(F)c(F)c1 502016716 KNDCGKUWAVFFIC-QGZVFWFLSA-N 322.399 4.556 30 20 DJED CCN(Cc1cccc2[nH]ccc12)[C@@H](C)c1ccc(C#N)cc1 508602478 DWQAYYZMFAOKMR-HNNXBMFYSA-N 303.409 4.623 30 20 DJED CC(C)c1ccc(NC(=O)N(C)C[C@@H](C)C#N)c(C(C)C)c1 509575167 ZZWBAAPYKQHHKX-AWEZNQCLSA-N 301.434 4.557 30 20 DJED C[C@H](CC1CCCCC1)C(=O)N[C@H](C#N)c1ccccc1Cl 510277716 VKTYCJURPFKBHV-CXAGYDPISA-N 318.848 4.627 30 20 DJED C=CCCC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 523224301 WGADSEPCZFRKLF-UHFFFAOYSA-N 322.383 4.505 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc(OC(C)C)cc1F 524831531 URNBFDVBVPZXJR-UHFFFAOYSA-N 322.424 4.823 30 20 DJED C[C@@H](NCc1ccc(-c2ccccc2)o1)c1ccc(C#N)c(F)c1 539609608 WSTHBLCXPQOEFL-CQSZACIVSA-N 320.367 4.808 30 20 DJED CCC(C)(C)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542966455 AXHRRKVBVZEHET-OAHLLOKOSA-N 320.436 4.839 30 20 DJED CSc1ccc([C@@H](C)Nc2ccc(Cl)c(C#N)n2)cc1 544018651 FNXCBQLBAGCNLP-SNVBAGLBSA-N 303.818 4.502 30 20 DJED C=C(C)CN(CC)C(=O)Nc1cc(Cl)ccc1OC(C)C 565804314 ODJCMVHDHYFHCK-UHFFFAOYSA-N 310.825 4.557 30 20 DJED CC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 567285407 WFCYUWXVTDCNPE-RBUKOAKNSA-N 310.828 4.940 30 20 DJED C=CCC[C@H](CC)N[C@H](c1cncc(Br)c1)C1CC1 570871791 NIAGEWPJMXCYEW-HOTGVXAUSA-N 323.278 4.630 30 20 DJED C=CCOc1ccccc1CN[C@@H](c1ccccc1)C(F)(F)F 571813845 UKOFDNCKENYIIP-KRWDZBQOSA-N 321.342 4.645 30 20 DJED Cc1cc(Oc2ccccc2)ccc1NC(=O)C1(C#N)CCCC1 609444473 ALAHSXGFJSPVJK-UHFFFAOYSA-N 320.392 4.810 30 20 DJED CCCC[C@@H](CC)CC(=O)N[C@H](C#N)c1ccccc1Cl 609766554 OVWHZAINESSWQX-CZUORRHYSA-N 306.837 4.627 30 20 DJED N#Cc1ccc(N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 619511119 KFIHZKXMSOXIOZ-OAHLLOKOSA-N 319.433 4.552 30 20 DJED C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1cc2ccccc2o1 619755852 WJNXFCXVNAPDGH-GFCCVEGCSA-N 310.784 4.809 30 20 DJED CC(C)Cc1ccc(C(=O)/C=C/c2cccc(OCC#N)c2)cc1 727743654 FOEUQEGVBYKGAM-DHZHZOJOSA-N 319.404 4.684 30 20 DJED CCC(CC)CN(CCC#N)C(=O)/C=C/c1ccc(Cl)s1 729431674 CWIWNFIOACMLOG-VQHVLOKHSA-N 324.877 4.593 30 20 DJED CCCCCCCCC(=O)N1CCCO[C@H](c2ccccc2)C1 729834762 FONAAEBMSCTYDV-IBGZPJMESA-N 317.473 4.727 30 20 DJED COc1cccc(/C=C2/Cc3ccc(C)cc3C2=O)c1OC(C)C 730949296 UDDJKCOLUFTVQC-ATVHPVEESA-N 322.404 4.613 30 20 DJED O=C1/C(=C/c2ccc(F)c(F)c2)CCOc2c(Cl)cccc21 733749007 PULMJMGWYFMFKP-DHZHZOJOSA-N 320.722 4.667 30 20 DJED Cc1cccc2nc([C@@H](C#N)C(=O)C[C@@H](C)C3CCCCC3)[nH]c12 735788681 KQIQTMVZLINBIG-ZBFHGGJFSA-N 323.440 4.654 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(SC)c(F)c2)cc1C 741847370 NSLNNQLBAUDQDP-QPJJXVBHSA-N 316.397 4.761 30 20 DJED CC(=NNc1cccc(C(F)(F)F)c1)c1ccc2c(c1)COC2 743416990 DLOXQUWAWXFCOW-UHFFFAOYSA-N 320.314 4.572 30 20 DJED CC(C)C[C@](C)(C#N)NC(=O)c1sc2ccccc2c1Cl 749373881 ONNYMFYKSUZEPT-MRXNPFEDSA-N 320.845 4.613 30 20 DJED CCN(C[C@H](C)C#N)C(=S)Nc1ccccc1-c1ccccc1 751012277 YBDYUHZCZOFLOC-OAHLLOKOSA-N 323.465 4.532 30 20 DJED C#CCCCC(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 757898816 MPGGGMFZYMNCMS-APWZRJJASA-N 313.441 4.524 30 20 DJED CC(C)[C@@H]1/C(=C\c2nc(Cl)cs2)C(=O)c2ccccc21 766506753 QXWFXNLAIFQJMU-BLMSOEDDSA-N 303.814 4.816 30 20 DJED CC(=NNc1cccc(C#N)c1)c1cc(F)c(Cl)cc1Cl 767336816 VFWCOMJFFWNAEV-UHFFFAOYSA-N 322.170 4.840 30 20 DJED CC(C)(C#N)CCCCOC(=O)CCSc1ccc(F)cc1 768482333 ADFWVOMBJVZXPZ-UHFFFAOYSA-N 323.433 4.571 30 20 DJED C#CCCCCN[C@H](C)c1sc(-c2ccc(C)cc2)nc1C 773038757 BPFSKMAGSAFTRM-OAHLLOKOSA-N 312.482 4.881 30 20 DJED CC(C)(C)c1cc(NC(=O)/C=C/c2cccs2)c(C#N)s1 774166264 YUGANVSGUZFAGY-VOTSOKGWSA-N 316.451 4.631 30 20 DJED C=CCN(Cc1nc(-c2ccccc2Cl)cs1)C(C)C 775571761 LAKPHJHVHMHQRZ-UHFFFAOYSA-N 306.862 4.860 30 20 DJED Cc1ccc(N(C(=O)c2ccc(Cl)c(C#N)c2)C(C)C)cc1 775614377 YQEYUVYCMSLRLE-UHFFFAOYSA-N 312.800 4.575 30 20 DJED CC/C(C)=C(\C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 779924582 ABDZTUWIVVDTIU-FWJVZWRSSA-N 302.443 4.623 30 20 DJED C=CCC[C@H](C(=O)OCc1csc(Cl)n1)c1ccccc1 793242163 PNDVEJKPXYDMFZ-AWEZNQCLSA-N 321.829 4.590 30 20 DJED CCc1ccc(C(=O)/C=C/c2cscc2Br)o1 794701494 LXWIXUTUCYDIOL-HWKANZROSA-N 311.200 4.562 30 20 DJED N#C[C@H](C(=O)/C(F)=C/C1CCCCC1)c1ccc2ccccc2n1 815900232 VNULGQGIYJSSPQ-BQGMYUGNSA-N 322.383 4.845 30 20 DJED CN(CC(C)(C)C#N)C(=S)Nc1ccccc1-c1ccccc1 840749619 LKUWEFZVXCPJRN-UHFFFAOYSA-N 323.465 4.532 30 20 DJED CC(C)c1ccccc1N=C1SCCCN1C(=O)C1CCC1 864016300 WTWSOEDPMXTFEH-UHFFFAOYSA-N 316.470 4.563 30 20 DJED CC(=NNc1ccc(C)cc1)c1[nH]c(-c2ccccc2)nc1C 915110340 RXIVVPRQHNFEKG-UHFFFAOYSA-N 304.397 4.530 30 20 DJED O=C(/C=C\c1cc(Cl)ccc1OC(F)F)c1cccc(O)c1 915985785 XFTQBYLJYYMMCK-XQRVVYSFSA-N 324.710 4.543 30 20 DJED O=C(/C=C/c1ccc(F)c(F)c1)c1ccc(Br)cc1 916134329 NEBBYTBTDLADDL-KRXBUXKQSA-N 323.136 4.623 30 20 DJED CC(=NNc1ncccc1Cl)c1sc(C(C)(C)C)nc1C 917546502 ORCJDOQGVYLASP-UHFFFAOYSA-N 322.865 4.634 30 20 DJED Fc1cc(F)cc(NN=Cc2csc(-c3ccsc3)n2)c1 920374434 AAXYKDHKCWLXET-UHFFFAOYSA-N 321.377 4.596 30 20 DJED COc1cccc(/C=N\[C@H](C)c2cccc(C(F)(F)F)c2)c1O 920944421 FIAHPDIHSBDZRG-VARIZKOUSA-N 323.314 4.600 30 20 DJED C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 926432023 KCCKKJCTBVXSNK-HOTGVXAUSA-N 323.440 4.853 30 20 DJED N#Cc1ccncc1C(=O)OC1CCCCCCCCCCC1 1124383350 MHSPIBDMEHUXJK-UHFFFAOYSA-N 314.429 4.783 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C/C=C\c1ccc(F)cc1 1179961850 IOWFWUGATUQNBZ-NAWLNYOCSA-N 320.411 4.611 30 20 DJED CCCCN(Cc1ccc(C#N)cc1OC)[C@H](C)c1ccccc1 1307489606 WKOXJZXMBXITLY-QGZVFWFLSA-N 322.452 4.930 30 20 DJED CC1(C)C[C@@]1(NCc1ccc(Cl)cc1C#N)c1ccccc1 1307961298 DPCBVDQXFBWOCY-LJQANCHMSA-N 310.828 4.627 30 20 DJED Cc1c(C#N)cccc1NC(=O)N1C[C@@H](C(C)C)c2ccccc21 1310417951 OVBLZGDYDPPLFV-KRWDZBQOSA-N 319.408 4.658 30 20 DJED C=C(CC)C(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1 1349027940 PVNSBDIBVMZRHW-INIZCTEOSA-N 323.436 4.848 30 20 DJED CCCC[C@H](C)C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 1435263592 CLEGCYRKXGPTML-AWEZNQCLSA-N 323.396 4.510 30 20 DJED Cc1c(C#N)cccc1NC(=O)N[C@@H](CCC(C)C)C(C)(C)C 1465871933 VBGJAIKPHGDUMM-KRWDZBQOSA-N 315.461 4.839 30 20 DJED C[C@@H](Nc1nc(C#N)c(Cl)s1)c1ccc(Cl)c(F)c1 1472733742 MCRJYLQWPOUHHK-ZCFIWIBFSA-N 316.188 4.634 30 20 DJED Cc1cc(C(=O)Nc2cc3ccccc3cc2C#N)cc(C)c1F 1583717882 WDVOXTZMEWQCPR-UHFFFAOYSA-N 318.351 4.720 30 20 DJED C=C(Br)CN(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 1615308640 PQXPNNQOTJRJIA-VIFPVBQESA-N 323.061 4.895 30 20 DJED CCN(C/C=C\c1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 1621174313 VSCMRJVHSAWFMX-AWFCHZOYSA-N 308.400 4.794 30 20 DJED CC[C@@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(C#N)cc1Cl 1623230176 FZRGRUIPMXHKRF-ZIAGYGMSSA-N 319.836 4.550 30 20 DJED CCC(CC)(CNc1ccc(Cl)c(C#N)n1)c1ccccc1 1639549029 VURVAWLLZXGZMR-UHFFFAOYSA-N 313.832 4.777 30 20 DJED CC(C)(C)c1ccc(C#N)c(NC[C@@H]2CCCCC(F)(F)C2)n1 1651897751 RDIVDINJDGWUGH-CYBMUJFWSA-N 321.415 4.878 30 20 DJED CC(C)(C#N)c1ccccc1CSc1ccc2[nH]ncc2c1 1652041801 VBSZAZVKFJCCNH-UHFFFAOYSA-N 307.422 4.656 30 20 DJED COc1cc(CNc2cccc(OCCC(C)C)c2)ccc1C#N 1656969079 ZHAKVYBGMQJWKX-UHFFFAOYSA-N 324.424 4.604 30 20 DJED CC(C)(C)N(Cc1ccsc1)Cc1ccc(F)c(C#N)c1 1659388122 PYMPNOSEFLANOW-UHFFFAOYSA-N 302.418 4.560 30 20 DJED C[C@H](Cc1ccc(-c2ccccc2)cc1)NCC1(C#N)CCC1 1659475362 MGXQETXGJUXMMR-QGZVFWFLSA-N 304.437 4.568 30 20 DJED CCOc1cc(/C=C/C(=O)C2CCCCC2)cc(Cl)c1O 7905619 FGXSLBIQGCCGFL-CMDGGOBGSA-N 308.805 4.607 30 20 DJED C[C@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1ccc(C#N)cc1 36991801 CEBDSASUVWPUMX-NWDGAFQWSA-N 302.780 4.763 30 20 DJED CC(=O)Nc1cccc(C(=O)/C=C\c2ccc3ccccc3c2)c1 96766901 VJUOHVMMZRMSJS-BENRWUELSA-N 315.372 4.694 30 20 DJED COc1ccccc1/C=C\C(=O)c1cc(Cl)sc1Cl 96884099 CVKBZDURJRRXKN-SREVYHEPSA-N 313.205 4.960 30 20 DJED Cc1cc(/C=C/C(=O)c2ccco2)ccc1Oc1cccnc1 118991811 IAYXDSLCURAZPX-SOFGYWHQSA-N 305.333 4.671 30 20 DJED C[C@H](N[C@H](C)c1cccc(N2CCCC2)c1)c1ccc(C#N)cc1 126528420 SMSYSSDVHPSQOV-DLBZAZTESA-N 319.452 4.570 30 20 DJED N#CCC[C@@H](Nc1cccc(C(F)(F)F)n1)c1ccccc1 164314133 KRKOWUDHDSIGRU-CYBMUJFWSA-N 305.303 4.557 30 20 DJED CC[C@H](CC(=O)[C@@H](C#N)c1nc2ccccc2o1)c1ccccc1 171482357 QKBWEXPGGLZJDL-GDBMZVCRSA-N 318.376 4.588 30 20 DJED C[C@H](N[C@H](C)c1ccc(F)cc1Cl)c1cccc(C#N)c1 178176864 KWSFWVMYQCCHNT-NWDGAFQWSA-N 302.780 4.763 30 20 DJED C[C@@H](CCc1cccc(F)c1)Nc1ccccc1O[C@H](C)C#N 180202705 LPPQIQGUHOGZPZ-LSDHHAIUSA-N 312.388 4.550 30 20 DJED CSc1ccccc1C(=O)/C=C/c1ccc(O[C@@H](C)C#N)cc1 194595212 MIWKTXIFDCRSBY-TZIYXEQSSA-N 323.417 4.595 30 20 DJED CC[C@H](C)[C@@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N 246253689 MKZHZHMUTJFKHZ-BFHYXJOUSA-N 319.474 4.637 30 20 DJED CC[C@H](C)[C@H](C)C(=O)Nc1ccccc1SC[C@H](C)C#N 248534191 GCNBOAHTZGVMOX-RDBSUJKOSA-N 304.459 4.559 30 20 DJED C[C@@H](Nc1nc(-c2ccccc2)cs1)c1ccc(C#N)cc1 301120391 WBUNDRCDVXVKSM-CYBMUJFWSA-N 305.406 4.855 30 20 DJED Cc1ccoc1CN(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N 425363644 CIURUVTVRTWKSQ-CYBMUJFWSA-N 322.330 4.521 30 20 DJED CC[C@H](N[C@H](C)c1ccc(F)cc1F)c1ccc(C#N)cc1 447511186 SFNSQUXFQFXYNM-XIKOKIGWSA-N 300.352 4.638 30 20 DJED CCCn1c(-c2cccc(OCCCC#N)c2)nc2ccccc21 463901476 RGMCYVAOHVPLGN-UHFFFAOYSA-N 319.408 4.796 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](CSc2ccccc2)C1 464760413 GZKRNSGMGHBDCY-WMZOPIPTSA-N 322.477 4.733 30 20 DJED CCSc1ccc([C@H](C)NCCc2cccc(C#N)c2)cc1 467432985 ODJLRSAEAQSHKE-HNNXBMFYSA-N 310.466 4.564 30 20 DJED N#C[C@H](C(=O)c1cccc2ccsc12)c1nc2ccccc2o1 467827602 BEYHDLKMRGPZDG-CYBMUJFWSA-N 318.357 4.533 30 20 DJED CCC(CC)CN(CCC#N)Cc1cc(-c2cccs2)on1 484915100 ZSGDASFQXFUFKE-UHFFFAOYSA-N 317.458 4.555 30 20 DJED C=CCC[C@@H](C(=O)N(CC)Cc1cccs1)c1ccccc1 487541494 PWGYLUMXNZRPTB-GOSISDBHSA-N 313.466 4.847 30 20 DJED N#Cc1csc(CN2CCC[C@H](c3ccc(F)cc3)CC2)c1 497140184 CKZUGOCXTTZCKC-HNNXBMFYSA-N 314.429 4.529 30 20 DJED CC(C)N(Cc1cccc(Cl)c1)Cc1ccc(C#N)s1 507146848 XXOONRVGEKDELL-UHFFFAOYSA-N 304.846 4.684 30 20 DJED CC(C)(C)c1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1 509666473 JWXQRQFLGDWPLS-UHFFFAOYSA-N 324.449 4.587 30 20 DJED C[C@@H](NCc1ccccc1C(F)(F)F)c1ccc(C#N)c(F)c1 538509801 SWBZNYHGJFXOLQ-LLVKDONJSA-N 322.305 4.567 30 20 DJED C=CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1)C1CC1 539013114 VSRVFMOFWOEIJN-QGZVFWFLSA-N 318.848 4.541 30 20 DJED C=CCNC(=O)c1cc(F)ccc1Sc1ccc(Cl)cc1 546783584 HRPUJFUVBLQGST-UHFFFAOYSA-N 321.804 4.546 30 20 DJED C=CCOc1ccc(-c2nnc(S[C@@H]3CC[C@H](C)C3)o2)cc1 558847762 ZIJYLRNOFABSDB-SWLSCSKDSA-N 316.426 4.582 30 20 DJED CCc1ccccc1-c1noc(C[C@H](CC#N)c2ccccc2)n1 579404825 PBBAZILNOZNLKX-KRWDZBQOSA-N 317.392 4.539 30 20 DJED CC[C@@H]1CN(C(=O)CCCCCC#N)CC[C@@H]1c1ccccc1 588160333 FGUOEPACGKLVEL-MJGOQNOKSA-N 312.457 4.503 30 20 DJED Cc1ccc([C@@H]2CCCCCN2C(=O)CCCCCC#N)o1 588756391 QPBDGNRCBZDNCT-INIZCTEOSA-N 302.418 4.506 30 20 DJED N#CCCCCCc1nc(Cc2ccc(Cl)c(Cl)c2)no1 589081083 CRWIQTUGZMTNAG-UHFFFAOYSA-N 324.211 4.594 30 20 DJED N#CC[C@@H]1CCCN(C(=O)Nc2cccc(-c3ccccc3)c2)C1 596909008 PWHWOQFSVLRCLF-INIZCTEOSA-N 319.408 4.511 30 20 DJED N#Cc1ccc(CSCCOc2ccccc2Cl)cc1 603763593 PLZRZVUCAPCPEP-UHFFFAOYSA-N 303.814 4.524 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C[C@H](C)CC(C)(C)C 603956800 DILYKLGHGRHXLP-INIZCTEOSA-N 314.473 4.758 30 20 DJED CC(C)(C)OCc1ccc(Nc2ncc(C#N)cc2Cl)cc1 610647773 RULDWNLGTXWCSR-UHFFFAOYSA-N 315.804 4.665 30 20 DJED Cc1cc(C#N)ccc1CSCc1cc(-c2ccco2)on1 614394683 ICKPVPGNOQHFBP-UHFFFAOYSA-N 310.378 4.548 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCCc2ccc(Cl)cc21 618805290 NKPJFCLPZSVRLA-WOJBJXKFSA-N 322.839 4.866 30 20 DJED CCC(CC)CN(CCC#N)C(=O)/C=C/c1ccc(Cl)cc1 729432644 KUALWGLGDXQJQQ-DHZHZOJOSA-N 318.848 4.532 30 20 DJED N#CCOc1ccc(CSCc2ccc(Cl)cc2)cc1 731156057 GHXLXISBNAAKGE-UHFFFAOYSA-N 303.814 4.676 30 20 DJED O=C(/C=C\c1ccc(OC(F)F)c(Cl)c1)c1cccc(O)c1 731489324 COPMMJQUXWAROV-XQRVVYSFSA-N 324.710 4.543 30 20 DJED COc1cccc(NN=C(C)c2ccc(-c3ccncc3)cc2)c1 745205123 ZSEACCVSFXDEEJ-UHFFFAOYSA-N 317.392 4.593 30 20 DJED C=C(Cl)CN1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 749307722 UUPXIQNKDWHRRT-OAHLLOKOSA-N 317.864 4.549 30 20 DJED CCC1(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCC1 751233161 NJABCKFXIOBHBL-IBGZPJMESA-N 318.420 4.861 30 20 DJED CC(CC1CCOCC1)=NNc1cc(Cl)ccc1Cl 757584576 QERGBEIFDXSPAF-UHFFFAOYSA-N 301.217 4.598 30 20 DJED Fc1c(F)c(F)c(OCc2ccc(C(F)F)cc2)c(F)c1F 763485538 RRPOEEPUUSXWTN-UHFFFAOYSA-N 324.195 4.899 30 20 DJED CC(CCc1ccsc1)=NNc1cccc(C(F)(F)F)n1 764910588 QTEWSLRVDFOQPV-UHFFFAOYSA-N 313.348 4.583 30 20 DJED CCn1nc(/C=C2/Cc3cc(Cl)ccc3C2=O)c2ccccc21 769741190 NFJTZBGGCZOQDI-QBFSEMIESA-N 322.795 4.532 30 20 DJED CCc1ccc(C=NOCc2ncc(Cl)cc2Cl)cc1 776829006 VAWZWJNMMJLUKU-UHFFFAOYSA-N 309.196 4.502 30 20 DJED Cc1nc2cc(NCc3ccc(O[C@@H](C)C#N)cc3)ccc2s1 781417423 UOUAQFPEUOIKMN-LBPRGKRZSA-N 323.421 4.508 30 20 DJED Cc1c(C(=O)/C=C/c2cccc(C(F)(F)F)c2)cnn1C(C)C 787187650 UXLCUZFCPQQYGK-BQYQJAHWSA-N 322.330 4.687 30 20 DJED Cc1cccnc1[C@H]1CCCC(=NNCCCc2ccccc2)C1 799112350 PHDAIWQHELHNHG-IBGZPJMESA-N 321.468 4.626 30 20 DJED N#Cc1ccccc1C(=O)/C=C/c1csc(Cl)c1Cl 799500552 ZBPGQRYKGUHDRR-AATRIKPKSA-N 308.189 4.823 30 20 DJED CCCCCCCC(=O)OCc1csc(-c2ccccn2)n1 919222144 KAYCKQXKRPQVCQ-UHFFFAOYSA-N 318.442 4.609 30 20 DJED C[C@H](CC(C)(C)c1ccccc1)Nc1snc(Cl)c1C#N 921060504 OUNIZGVBOGBBKZ-LLVKDONJSA-N 319.861 4.836 30 20 DJED CC[C@H](NC(=O)CC1(C#N)CCCCC1)c1ccc(C)c(F)c1 1127572576 VSKXHMITKBUUEI-KRWDZBQOSA-N 316.420 4.566 30 20 DJED N#CC[C@@H](C(=O)Nc1cccc(C2CCC2)c1)c1ccccc1 1274339779 NLRLNYMMJQKYMC-LJQANCHMSA-N 304.393 4.590 30 20 DJED CC1CCN(c2cccc(Nc3cccc(F)c3C#N)c2)CC1 1306974903 MJLUIRYSSJUFBC-UHFFFAOYSA-N 309.388 4.677 30 20 DJED C=C(C)CCC(=O)N(Cc1ccco1)Cc1ccc(C)s1 1338804504 HTSUEULLNBJCLC-UHFFFAOYSA-N 303.427 4.535 30 20 DJED CC(C)N(C/C=C\c1ccc(F)cc1)Cc1ccc(C#N)cc1 1461862352 CHJAJYJTCHCXFJ-ARJAWSKDSA-N 308.400 4.621 30 20 DJED CC[C@@](C)(C#N)C(=O)NC(C1CCCCC1)C1CCCCC1 1462420418 FVJHWMLBBPFZAL-IBGZPJMESA-N 304.478 4.572 30 20 DJED CCc1ccc([C@@H]2C[C@H](C)CCN2c2cccc(F)c2C#N)o1 1472707996 NOUKPAVVFDWXSZ-ACJLOTCBSA-N 312.388 4.830 30 20 DJED COc1ccc([C@H](C)SCc2cc(F)ccc2C#N)cc1 1472982843 ODLWYTRYZQDXQZ-LBPRGKRZSA-N 301.386 4.700 30 20 DJED C[C@H]1CCN(Cc2ccc(C#N)cc2F)c2ccccc2S1 1474522236 JVKZSKNYJIPIIH-ZDUSSCGKSA-N 312.413 4.588 30 20 DJED C[C@@H](CC(=O)N(C)c1cc(Cl)ccc1C#N)CC(C)(C)C 1516249123 AERGEEDEIHXVDS-LBPRGKRZSA-N 306.837 4.637 30 20 DJED C[C@H]1CN(C(=O)CC2(C#N)CCCCC2)CC[C@H]1c1ccccc1 1532789919 MMRWXWYCPOAWSN-PKOBYXMFSA-N 324.468 4.503 30 20 DJED Cc1cc(NCc2ccc(-c3cccs3)cc2)ncc1C#N 1559232072 RTYJVRYKJGKUGQ-UHFFFAOYSA-N 305.406 4.602 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1cccc2cccnc12 1559427968 KMVJWNUYAKGXGK-UHFFFAOYSA-N 308.768 4.647 30 20 DJED COCCN(CCC1(C#N)CCCCC1)[C@@H](C)c1ccccc1 1559507147 KOXIDTDAWAXRNF-SFHVURJKSA-N 314.473 4.560 30 20 DJED CC[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cccc(C#N)c1F 1559566164 ZFHLFQCWMGEBOB-PMACEKPBSA-N 322.427 4.856 30 20 DJED CC[C@H](CN(CC)Cc1ccc(C#N)c(C)c1)c1ccccc1 1560772437 XPTPINBVCOECON-LJQANCHMSA-N 306.453 4.882 30 20 DJED N#Cc1cc(F)ccc1CN1CCC[C@@H]1CCC1CCCC1 1616356755 NSEHFFZVAWTVGK-LJQANCHMSA-N 300.421 4.632 30 20 DJED COc1ccc(C#N)cc1CN1CCCc2cccc(C(C)C)c21 1618591129 JNOPXJXXXKNFNC-UHFFFAOYSA-N 320.436 4.643 30 20 DJED COc1ccc(C(C)(C)C)cc1Nc1ncc(C#N)cc1Cl 1649226119 ZZRURWJKKVJRMX-UHFFFAOYSA-N 315.804 4.656 30 20 DJED N#Cc1cccc(OCc2ccc(Cl)cc2Br)c1 1651727510 SKKUCKPSNMBVOA-UHFFFAOYSA-N 322.589 4.553 30 20 DJED N#C[C@@H]1CCC[C@@H](Nc2cc(Cl)cc(C(F)(F)F)c2)C1 1659505844 HZYHXKWMXHISEI-BXKDBHETSA-N 302.727 4.853 30 20 DJED C[C@@H]1CCC[C@@H](NC(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1670294220 JWTVOTPTQOVUBS-VXGBXAGGSA-N 319.474 4.617 30 20 DJED COc1cccc(/C=C2/CC/C(=C/c3cccc(OC)c3)C2=O)c1 35362232 PVJQLZZXRRBHRK-WHYMJUELSA-N 320.388 4.534 30 20 DJED C=CCN(Cc1ncc(-c2cccs2)o1)Cc1cccs1 67375162 LNUHXRRKFKBCON-UHFFFAOYSA-N 316.451 4.653 30 20 DJED CCO[C@@H](C)c1nc(CSCc2cccc(C#N)c2)cs1 76862386 LLOFJDSFPXBLMO-LBPRGKRZSA-N 318.467 4.546 30 20 DJED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cc(F)c(F)c(F)c1 90665750 RZKYJDMKHQDRRB-PXAZEXFGSA-N 318.342 4.800 30 20 DJED C#Cc1cccc(N(C(=O)c2sccc2SC)C(C)C)c1 107145889 AAPOPESXHNTZQW-UHFFFAOYSA-N 315.463 4.507 30 20 DJED CC(=O)Nc1cccc(CS[C@H](C)c2ccc(C#N)cc2)c1 118444318 APMRCJVHJDWFOQ-CYBMUJFWSA-N 310.422 4.511 30 20 DJED CC(C)COC(=O)Nc1cccc(NCCCC(C)(C)C#N)c1 133716232 IKTKKCZWUZTLTK-UHFFFAOYSA-N 317.433 4.633 30 20 DJED CC[C@@H](CC(=O)[C@H](C#N)c1nc2ccccc2o1)c1ccccc1 171482360 QKBWEXPGGLZJDL-HOCLYGCPSA-N 318.376 4.588 30 20 DJED CC(C)CC(=O)Nc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1 173871024 RMKJOOMNXPFEET-HNNXBMFYSA-N 321.424 4.716 30 20 DJED CCCCCCC[S@](=O)Cc1ccccc1OC(F)F 178047683 OPXUELIPHXATOS-FQEVSTJZSA-N 304.402 4.507 30 20 DJED C[C@H]1CC(C)(C)N(C(=O)c2cc(C#N)cs2)c2ccccc21 180328068 HJMQFKWFCVDNCR-LBPRGKRZSA-N 310.422 4.552 30 20 DJED C=C(C)[C@H](N[C@@H](C)c1ccccc1O)c1ccc(F)c(F)c1 186448540 PNUJVSJYQOLDLH-SGTLLEGYSA-N 303.352 4.638 30 20 DJED Cc1c([C@@H](C)NCc2ccc(C#N)c(F)c2)oc2ccccc12 190152151 RRBNTHZVOCOBTK-CYBMUJFWSA-N 308.356 4.603 30 20 DJED Cc1ccc([C@@H](NCc2ccc(O[C@@H](C)C#N)cc2)C2CC2)cc1 237499946 MUHFNUIATHCJQR-HRAATJIYSA-N 320.436 4.527 30 20 DJED CCCOc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 319880990 UQONBWMYGQXBOR-CVEARBPZSA-N 308.425 4.759 30 20 DJED CC(C)c1ncsc1C(O)=Nc1nc(CC(C)(C)C)cs1 331286287 AAZHXNZUDSXACC-UHFFFAOYSA-N 323.487 4.948 30 20 DJED C[C@@H](Cc1cccc(Cl)c1)N[C@@H](CCC#N)c1ccccc1 338446099 RLDVCWSEEJZXHV-KXBFYZLASA-N 312.844 4.906 30 20 DJED N#Cc1ccc(NCc2cccc3cc[nH]c23)cc1C(F)(F)F 391107371 CCLVUCUBXJLOSD-UHFFFAOYSA-N 315.298 4.670 30 20 DJED CC(C)(C#N)CCOc1ccc(NC(=O)C2CCCCC2)cc1 410296754 FTQFKSVUTOENIK-UHFFFAOYSA-N 314.429 4.524 30 20 DJED C[C@@H](NCC(C)(C)CCC#N)c1csc(-c2ccccc2)n1 414172758 YRMPMRCKABPERL-CQSZACIVSA-N 313.470 4.791 30 20 DJED C=CC[C@@H](C(=O)Nc1nc(C2CCC2)cs1)c1ccccc1 436173406 GVZRPPIQKJLLNG-OAHLLOKOSA-N 312.438 4.709 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1ccc(-c2nc(C)cs2)cc1 439518550 SDNUPBDTSVJSON-AWEZNQCLSA-N 315.442 4.595 30 20 DJED CC[C@@H](Nc1cccc(OC(F)F)c1)c1ccc(C#N)cc1 447588267 UMKJCQHULJUWCQ-MRXNPFEDSA-N 302.324 4.723 30 20 DJED CC[C@H](C)N(C)C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 464921832 SZAWMMXPLLUMGY-HNNXBMFYSA-N 322.408 4.530 30 20 DJED C=C[C@@H](CC(=O)N1Cc2ccccc2C[C@@H]1CC)c1ccccc1 466302910 MGHVHWAQUXAMDN-UWJYYQICSA-N 319.448 4.710 30 20 DJED C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCc1ccc(OC(C)C)cc1 467741824 SXTSHBWRUSZUAJ-JXFKEZNVSA-N 317.473 4.513 30 20 DJED C=CCCC1(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 474784428 QFWLUVUREHVWDQ-GFCCVEGCSA-N 311.347 4.629 30 20 DJED CCC1(CC)CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 476830595 YOBPKGFXFVFGBI-SFHVURJKSA-N 312.457 4.503 30 20 DJED C=CCCCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 479511723 JZPYCBVEADCNCE-UHFFFAOYSA-N 311.347 4.553 30 20 DJED C=CCC1(C(=O)Nc2cc(-c3ccccc3)cnc2C)CCC1 480608126 FXLNOGTYSOVHPK-UHFFFAOYSA-N 306.409 4.742 30 20 DJED C=CCN(C(=O)c1ccc(OCC(C)C)cc1)c1ccccc1 484267976 YKKDRLSWGPAUKS-UHFFFAOYSA-N 309.409 4.554 30 20 DJED N#CCCCOc1cccc(NCCCc2cccc(F)c2)c1 486124219 INXIMLZXNAAHLN-UHFFFAOYSA-N 312.388 4.553 30 20 DJED Cc1sc(NC(=O)[C@@H](C)CC2CCCCC2)c(C#N)c1C 510194952 CREPAXMTLZGATE-NSHDSACASA-N 304.459 4.782 30 20 DJED N#Cc1ccc(N[C@H](c2ccc(Cl)cc2)C2CCCC2)nc1 511385829 SZRSPDYEQHDDDL-SFHVURJKSA-N 311.816 4.950 30 20 DJED N#Cc1cnc(N[C@@H](c2ccc(F)cc2)C2CCC2)c(Cl)c1 513616027 WWANREGTTHXTNL-MRXNPFEDSA-N 315.779 4.699 30 20 DJED C=CCN(CC=C)C(=O)N[C@H](c1ccccc1)C(CC)CC 519076710 RYUJGQOZWNXRMQ-SFHVURJKSA-N 300.446 4.548 30 20 DJED C=CCN(Cc1cccs1)C(=O)[C@@H](C)SC(CC)CC 519963990 IKMFWRKYCTXBGD-CYBMUJFWSA-N 311.516 4.573 30 20 DJED C=CC[C@H](C)[C@H](C)Nc1cccc2c1CN(c1nccs1)C2 540745325 AXHPMFBZRYSADQ-KBPBESRZSA-N 313.470 4.676 30 20 DJED C=CCC[C@H](NCc1cc(Cl)cc2c1OCC2)c1ccco1 552068385 UXRACRDUHUWUDK-INIZCTEOSA-N 317.816 4.665 30 20 DJED C=C[C@H](CC(=O)N(C)Cc1cccc(C)c1C)c1ccccc1 552651877 KZYNPDXTRKTDSS-GOSISDBHSA-N 307.437 4.622 30 20 DJED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1sccc1Cl 555015158 UBVTYTSEIUNCPM-HOCLYGCPSA-N 316.857 4.673 30 20 DJED CC[C@@H](C)CCC(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 573283628 WKLZAJSEMCVKAU-HWWITLHISA-N 316.489 4.524 30 20 DJED CC(C)(C#N)CCSCCOc1ccc(Cl)c(F)c1 573720170 RIIUHDAGLRIYFD-UHFFFAOYSA-N 301.814 4.531 30 20 DJED CSc1ccccc1[C@@H](C)N[C@@H]1CCc2ccc(C#N)cc21 581913885 DEEDYDOXSJNLNH-FZKQIMNGSA-N 308.450 4.618 30 20 DJED C=C(C)COc1cccc(NC(=O)C[C@H](C)c2ccccc2)c1 589384970 SQWRZRQNQHHGFZ-INIZCTEOSA-N 309.409 4.774 30 20 DJED Cc1ccc2sc(C(=O)N[C@@H](C)c3cccc(C#N)c3)cc2c1 589438018 PYBQPNBQINVHRP-ZDUSSCGKSA-N 320.417 4.572 30 20 DJED CC(C)Oc1ccccc1/C=C1/CCc2cc(C#N)ccc2C1=O 742438585 ZLKZFJXZKZDDJH-PDGQHHTCSA-N 317.388 4.558 30 20 DJED C=C(C)CCOC(=O)CCOc1ccccc1-c1ccccc1 744304723 ZRQOPJKAMNBPBJ-UHFFFAOYSA-N 310.393 4.632 30 20 DJED O=C(/C=C\c1cc(F)cc(F)c1)c1cccc(-c2ccncc2)c1 755600262 HLIUOWATUMVQNS-PLNGDYQASA-N 321.326 4.923 30 20 DJED C#CC[C@H](NCc1cccc(Cl)c1Cl)c1ccccc1 756995348 GRUZEPIHSAEECT-INIZCTEOSA-N 304.220 4.848 30 20 DJED CC(=NNc1c(Cl)cccc1Cl)c1ccc(C#N)s1 762449943 QDSXPKRKBCQLJI-UHFFFAOYSA-N 310.209 4.763 30 20 DJED CSc1ccc(C(=O)/C=C\c2ccc(C#N)cc2)c(Cl)c1 765614753 ZUFRLBMNIIFIMQ-TWGQIWQCSA-N 313.809 4.830 30 20 DJED CCOc1c(Cl)cc(N[C@@H]2CCC[C@@H](C#N)C2)cc1Cl 774348055 JNXXFPDFOVWOFG-GHMZBOCLSA-N 313.228 4.886 30 20 DJED C[C@@H](C(=O)O[C@H](C#N)C1CCCCC1)c1ccc(Cl)s1 776394396 WZOMEVLNTROJMO-ZYHUDNBSSA-N 311.834 4.521 30 20 DJED CCN(c1ccc(N[C@H](C)c2cccc(C#N)c2)cc1)C(C)C 776797253 NAVOQVRJAQADEM-MRXNPFEDSA-N 307.441 4.966 30 20 DJED COc1ccc(Cl)cc1N[C@H](C)c1ccc(C#N)c(F)c1 777604839 DBJJRZPNUVJDJY-SNVBAGLBSA-N 304.752 4.532 30 20 DJED N#CC1(COC(=O)c2sc3ccccc3c2Cl)CCCC1 780531000 UWNZTGSLGLBPCC-UHFFFAOYSA-N 319.813 4.795 30 20 DJED O=C1/C(=C/c2scnc2C2CC2)[C@H]2CCCc3cccc1c32 782351277 JEEKCIYQDAOFBJ-GULXKOIASA-N 307.418 4.720 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)/C=C(/C)c1ccccc1Cl 787941412 AHOCCCXCRPIRFQ-YPKPFQOOSA-N 318.848 4.674 30 20 DJED CC(C)c1ccc(N(C)C(=O)c2ccc(C(C)(C)C#N)cc2)cc1 793676774 WHKCJRAYTRYUHY-UHFFFAOYSA-N 320.436 4.888 30 20 DJED Cc1cccc([C@@H](C)OC(=O)C[C@@H](CC#N)c2ccccc2)c1 795982825 SUEJCIHJADAWCJ-VQIMIIECSA-N 307.393 4.687 30 20 DJED Oc1ccc(C2CCC(=NNCCCc3ccccc3)CC2)cc1 814837831 NBTZYDZNBXLLGV-UHFFFAOYSA-N 322.452 4.628 30 20 DJED Cc1nnc(N[C@H](c2ccccc2)C2CCCCC2)c(C#N)c1C 917067352 BMBLPAZDQBEYCN-LJQANCHMSA-N 320.440 4.699 30 20 DJED CC[C@@H](C)c1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)cc1 1127091524 WMPKRLMCRPVRMP-HUUCEWRRSA-N 307.393 4.990 30 20 DJED CCCCN(C(=O)c1ccc(C)c(C#N)c1)[C@H]1CCC[C@H](C)C1 1129306366 YQMZSLXXUJAPGC-KXBFYZLASA-N 312.457 4.688 30 20 DJED CC[C@@H](NC(=O)CC1(C#N)CCCCC1)c1cc(C)ccc1C 1132471497 SQFCDVJGNMFHRA-GOSISDBHSA-N 312.457 4.735 30 20 DJED CC[C@@H]1CCCC[C@@H]1CNc1c(Br)cccc1C#N 1163403335 JFUYACRMGSTCRE-TZMCWYRMSA-N 321.262 4.949 30 20 DJED CCCOc1cccc(CSc2ccc(C#N)cc2F)c1 1165710815 RSJKWZPHEKROCE-UHFFFAOYSA-N 301.386 4.778 30 20 DJED CC1(C#N)CCC(NC2CCC(C)(c3ccccc3)CC2)CC1 1178152986 WTBYMDDEFDTIRE-UHFFFAOYSA-N 310.485 4.949 30 20 DJED CCCn1ccc2cc(NC(=O)Nc3sccc3C#N)ccc21 1219354591 NNDDYXAZQLSUIQ-UHFFFAOYSA-N 324.409 4.628 30 20 DJED C[C@@H](COc1cc(C#N)ccc1Br)C1CCCCC1 1307384274 YFXLDZRVMANIOM-LBPRGKRZSA-N 322.246 4.916 30 20 DJED Cc1cc(C)c(C#N)c(N[C@H](C)c2csc3ccccc23)n1 1337681477 HOERDVGYRGCPTO-CYBMUJFWSA-N 307.422 4.958 30 20 DJED Cc1cccc2oc(C(=O)[C@H](C#N)c3nc(C4CC4)cs3)cc12 1345070335 GXSJPHJLYCNTPW-ZDUSSCGKSA-N 322.389 4.565 30 20 DJED Cc1ccc(C#N)c(NC[C@@H]2CCC(C)(C)c3ccccc32)n1 1458268511 SJXGQDDTIRWGGG-INIZCTEOSA-N 305.425 4.529 30 20 DJED CC(=O)[C@@H](Cc1ccccc1)Sc1ccc(C#N)cc1Cl 1458990956 BFLCKVPTZVUXRE-QGZVFWFLSA-N 315.825 4.504 30 20 DJED CC(C)CCN(CCC#N)C(=O)CCC(C)(C)c1ccccc1 1464920379 SCRVZTBDAYHRET-UHFFFAOYSA-N 314.473 4.533 30 20 DJED CCC(CC)CN(CCC#N)C(=O)C[C@H](C)C1CCCCC1 1464929878 VNJKYBIWYFBXSN-INIZCTEOSA-N 306.494 4.771 30 20 DJED N#Cc1cc(F)ccc1CN(c1ccc(F)cc1)C1CCCC1 1473251739 OTSORQXWFPDAPP-UHFFFAOYSA-N 312.363 4.786 30 20 DJED CC(C)CC(CC(C)C)C(=O)O[C@H](C)c1ccc(C#N)cc1 1531747868 RPGBNODSKZPJNK-OAHLLOKOSA-N 301.430 4.871 30 20 DJED N#CC1(CCN2CC[C@H](c3c(F)cccc3F)C2)CCCCC1 1620567176 QUBNBUYGQHDWEJ-HNNXBMFYSA-N 318.411 4.618 30 20 DJED CSc1ccc(C)c(NC(=O)Nc2scc(C)c2C#N)c1 1624564147 FZIRYUYFASTPTQ-UHFFFAOYSA-N 317.439 4.603 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc2ccccc2c1 1643523530 YHVUWNGGDKYLMC-MRXNPFEDSA-N 300.405 4.904 30 20 DJED C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1CCC(C)(C)C#N 1652689783 OOYNPFJKPPIXII-LLVKDONJSA-N 311.256 4.852 30 20 DJED C=C(Br)CN[C@@H](c1ccc(Cl)cc1F)C(C)C 1654106868 YGEIVDNNBXQGDV-CYBMUJFWSA-N 320.633 4.674 30 20 DJED CC(C)(CC#N)CN[C@H]1CCCC[C@H]1c1ccccc1Cl 1659422753 WVZSHIRVJOKTMR-RDJZCZTQSA-N 304.865 4.896 30 20 DJED CC[C@H](NC(=O)Nc1cccc(CC#N)c1)c1cc(C)ccc1C 1661888070 LUBUKKPYGRUGQJ-IBGZPJMESA-N 321.424 4.642 30 20 DJED CC1(C)CCC/C(=C\c2csc3ccc(C(=O)O)cc23)C1=O 1776548652 VFBUYHOKNNEDLO-DHZHZOJOSA-N 314.406 4.762 30 20 DJED Cc1c(Cl)cccc1NC(=S)Nc1ccc(CC#N)cc1 18145499 ODXUCFUOEHLFLL-UHFFFAOYSA-N 315.829 4.523 30 20 DJED C=CCNC(=O)Nc1ccc(Sc2ccccc2Cl)cc1 65483854 CQOMUKKRMBYOAZ-UHFFFAOYSA-N 318.829 4.799 30 20 DJED Cc1nc(C(C)C)sc1[C@@H](C)N(C)Cc1ccc(C#N)s1 180143766 QWGUJGNAHAQZDE-GFCCVEGCSA-N 319.499 4.701 30 20 DJED CC[C@@H](C)[C@@H](C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 180344516 PSHOQEQLADRQOY-HZSPNIEDSA-N 304.459 4.702 30 20 DJED C[C@@H](NCCCC(C)(C)C#N)c1ccc(-c2ccncc2)cc1 180890891 GIONIASIMKCOMF-MRXNPFEDSA-N 307.441 4.729 30 20 DJED N#CCC[C@@H](NCc1cccc2ccccc12)c1ccccc1 181937964 MWHUCHGJXVQCJK-OAQYLSRUSA-N 300.405 4.974 30 20 DJED N#CCCCOc1cccc(CNc2cnc3ccccc3c2)c1 184835958 YWIPHCLLICFPDY-UHFFFAOYSA-N 317.392 4.529 30 20 DJED C[C@H](Nc1ccc(C#N)c(Br)c1)C1CCCCC1 228185592 YTJHBAFWZOLPOH-NSHDSACASA-N 307.235 4.701 30 20 DJED N#Cc1cc(Cl)ccc1N[C@H]1CCOC2(CCCCC2)C1 301698048 ODWGESSGHBRSMH-HNNXBMFYSA-N 304.821 4.505 30 20 DJED CC[C@@H](C)C[C@H](C)Nc1cc(Br)c(C#N)cc1F 310658129 RPXBMYYFJVRMBA-ZJUUUORDSA-N 313.214 4.696 30 20 DJED CCCCC1CCC(C(=O)N(C)Cc2cccc(C#N)c2)CC1 320268052 KWMUMZYBLXUCCA-UHFFFAOYSA-N 312.457 4.513 30 20 DJED CCC(C)(C)C1CCC(/N=C(/O)c2scnc2COC)CC1 330469317 LJUCAPANUWOUQV-UHFFFAOYSA-N 324.490 4.589 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@@H]1CCc2ccc(C#N)cc21 353429225 TUJDVLYXUDHSJZ-MOPGFXCFSA-N 320.436 4.750 30 20 DJED C[C@@H](CCc1ccccc1F)N[C@H](CCC#N)c1ccccc1 358340981 NGBMJOUKVLWESK-OXJNMPFZSA-N 310.416 4.781 30 20 DJED Cc1nc(C(C)(C)C)sc1[C@@H](C)NCc1ccc(C#N)s1 421874868 IPVSQHISBQEIJT-SNVBAGLBSA-N 319.499 4.533 30 20 DJED CCC[C@]1(C)CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 437585702 WJGDHKAAPAGNEZ-QGZVFWFLSA-N 319.836 4.646 30 20 DJED N#C[C@@H]1CCC[C@@H](Nc2ccc(-c3cnc(C4CC4)o3)cc2)C1 447606805 NORSKNPTJYMFLT-CXAGYDPISA-N 307.397 4.713 30 20 DJED Cc1cc(C#N)cc(NC(=O)N2CCC[C@@H]2c2cccc(C)c2)c1 455980438 FZXGWWGWUHBDTC-LJQANCHMSA-N 319.408 4.544 30 20 DJED CC(C)C[C@@H](C(=O)Nc1cccc(CC#N)c1)c1ccccc1 456729567 KOJJTQBJLDGDRW-LJQANCHMSA-N 306.409 4.521 30 20 DJED C=C1CCN(C(=O)C[C@H](Cc2ccccc2)c2ccccc2)CC1 461112568 KJDZXFMJUXWTEA-NRFANRHFSA-N 319.448 4.582 30 20 DJED C=CCCN(C)C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 467088314 GIZALRGLTCFYOQ-HXUWFJFHSA-N 320.436 4.558 30 20 DJED Cc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1Cl 474080136 FQZITBRORADCDA-HNNXBMFYSA-N 312.800 4.675 30 20 DJED CCCc1ccccc1NC(=O)C[C@H](CC#N)c1ccccc1 474785636 MGYWFSXYAKUDFQ-SFHVURJKSA-N 306.409 4.665 30 20 DJED Cc1ccc(-c2ncco2)cc1NCc1ccc(Cl)cc1C#N 478368083 IFWKRMBHHBHTSA-UHFFFAOYSA-N 323.783 4.787 30 20 DJED CCCCN(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 479533092 YUCSGZDJQXWVFR-UHFFFAOYSA-N 324.449 4.582 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1cccc(-c2cccs2)c1 488282772 VMNSGGKZHCEQER-MRXNPFEDSA-N 312.438 4.988 30 20 DJED C=CCC[C@@H](C(=O)Nc1cc(F)c(F)cc1F)c1ccccc1 488363533 FRLKIGBAHDYGNQ-CYBMUJFWSA-N 319.326 4.792 30 20 DJED C=CCN(CCc1ccco1)C(=O)Nc1ccc(C)cc1Cl 491328783 JYXDWNDIHKZSBB-UHFFFAOYSA-N 318.804 4.504 30 20 DJED N#CC1(CCCN2CCCC3(CCCCC3)CC2)CCOCC1 499707262 HNSALVIZXMYJKB-UHFFFAOYSA-N 318.505 4.523 30 20 DJED CCc1cccc(CSCCCC2(C#N)CCOCC2)c1 512390455 FRMPCBBMVBRWIX-UHFFFAOYSA-N 303.471 4.583 30 20 DJED N#Cc1ccc(SCc2cc(-c3cccs3)on2)c(F)c1 525629695 HUUWKWRTFDTKJW-UHFFFAOYSA-N 316.382 4.706 30 20 DJED CCCC(C#N)(CCC)NC(=O)c1cccc(-c2ccoc2)c1 534066345 UXKQRZSKWWIRRC-UHFFFAOYSA-N 310.397 4.539 30 20 DJED C[C@H](N[C@H](c1cccs1)C1CC1)c1ccc(C#N)c(F)c1 540707673 CBXAXEFDRVYBLV-GTNSWQLSSA-N 300.402 4.561 30 20 DJED CCOc1ccc(CN(Cc2ccc(CC#N)cc2)C(C)C)cc1 542201373 MDCIISYJALRXHU-UHFFFAOYSA-N 322.452 4.562 30 20 DJED C=C[C@H](CC(=O)NC[C@H](c1ccccc1)C1CC1)c1ccccc1 563906368 HMRIKFOFHRYYRI-DYESRHJHSA-N 319.448 4.656 30 20 DJED Cc1cccc2ncnc(Oc3ccc(C#N)c4ccccc34)c12 575817658 FRXAEXIRVFSWBH-UHFFFAOYSA-N 311.344 4.755 30 20 DJED N#C[C@]1(C(=O)Nc2cccc(-c3cccs3)c2)CC12CCCC2 590628515 YRMRZRDQYMSDFN-IBGZPJMESA-N 322.433 4.828 30 20 DJED CCC(C#N)(CC)C(=O)Nc1cccc(CSC(C)C)c1C 599588980 JNUUPHGOEYQMTQ-UHFFFAOYSA-N 318.486 4.905 30 20 DJED CCC[C@H](C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609214374 MDPWQWJDZHSTHI-AWEZNQCLSA-N 308.381 4.725 30 20 DJED CC[C@H](CC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccc(C)cc1 609967317 FLJVTTNJBHMBTN-SJLPKXTDSA-N 320.436 4.628 30 20 DJED CC(C)c1nc([C@@H](C)NCc2ccc(C#N)c(Cl)c2)cs1 619754686 HXXHNFWPIZDXRI-LLVKDONJSA-N 319.861 4.642 30 20 DJED C=CCCC(C)(C)NC(=O)Nc1ccc(C)c(-c2ncco2)c1 666364864 MCBWKRCAKOEKTI-UHFFFAOYSA-N 313.401 4.516 30 20 DJED C=CCNC(=S)Nc1ccc(-c2cccc(Cl)c2)cc1C 726750975 YPZFXGVVDNCCAZ-UHFFFAOYSA-N 316.857 4.788 30 20 DJED Cc1cc(C=NNc2ccc(F)cn2)c(C)n1C1CCCCC1 731322007 VFEXAPWCSMGWCH-UHFFFAOYSA-N 314.408 4.590 30 20 DJED COc1cccc(/C=C\C(=O)c2ccc(SC(F)F)cc2)c1 734982047 WANBOGPHKJEAKB-YHYXMXQVSA-N 320.360 4.906 30 20 DJED C#Cc1cccc(N(Cc2ccco2)C(=O)CCC(C)(C)C)c1 737541367 AQDGWAZZLOEDAN-UHFFFAOYSA-N 309.409 4.620 30 20 DJED COc1cc(C)c([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1C 753721917 VULHKEJJTBUMMF-INIZCTEOSA-N 320.436 4.524 30 20 DJED CC(C)(C=NNc1nc(Cl)c(Cl)cc1Cl)CCC#N 755546505 TYSJIYQCQTYTHX-UHFFFAOYSA-N 319.623 4.769 30 20 DJED CCCCCCCC(=O)N[C@@H](c1cccc(C)c1)c1ccccn1 765899959 USDLDZXIQABSDK-NRFANRHFSA-N 324.468 4.956 30 20 DJED C/C(C=NNCCC(F)(F)F)=C\c1ccccc1C(F)(F)F 799886674 AOAVLZZKNVLLLP-QUZCNEPWSA-N 324.268 4.637 30 20 DJED C#C[C@H](NC1CCC(C(F)(F)F)CC1)c1ccc(Cl)cc1 811516729 UUONQRHDTSHPLU-ZALBZXLWSA-N 315.766 4.725 30 20 DJED CC(C)CON=C(Cc1c(F)cccc1Cl)c1ccoc1 814884050 MMVXEVUFNITFLR-UHFFFAOYSA-N 309.768 4.692 30 20 DJED c1ccc(-c2nnc(NN=C3CCCC34CCCC4)s2)cc1 814947556 YCOGOCOIUYJAJB-UHFFFAOYSA-N 312.442 4.717 30 20 DJED CC(=NNc1ccc(Cl)c(C(F)(F)F)c1)C1CCOCC1 844607454 YQRFBBIRXFWXEN-UHFFFAOYSA-N 320.742 4.573 30 20 DJED Oc1cccc(C=Nc2ccc(SC3CCCC3)cc2)c1O 914599365 FYRDDTHOPGEIDC-UHFFFAOYSA-N 313.422 4.883 30 20 DJED Cc1ccc(-c2n[nH]cc2/C=C/C(=O)c2cccc(C)c2)cc1 920065523 ZSMXJAXJXTVFDM-ZHACJKMWSA-N 302.377 4.590 30 20 DJED Cc1ccc(NN=Cc2ccc(F)c(C#N)c2Cl)cc1Cl 1116772247 NXIKFCNORJTULS-UHFFFAOYSA-N 322.170 4.759 30 20 DJED CC(C)(C)c1ccc(C#N)c(NC[C@@H]2CCCc3ccccc32)n1 1184784857 KYCJJGYJEPMCIT-KRWDZBQOSA-N 319.452 4.783 30 20 DJED N#CCC1(CN[C@@H](c2ccc(Cl)cc2)C2CCCC2)CC1 1192780502 HVTUNTMZMXOZLL-QGZVFWFLSA-N 302.849 4.855 30 20 DJED CCC[C@@H](Cc1ccccc1)N(CCC)Cc1cc(C#N)ccn1 1232481343 CPGSDMYLTVTMGM-NRFANRHFSA-N 321.468 4.577 30 20 DJED Cc1cc(Cl)c(NC(=O)CC#Cc2ccccc2)cc1Cl 1253555752 XOUMLFZIRUSXCO-UHFFFAOYSA-N 318.203 4.682 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@H](c2ccccc2)CC1 1307453631 UPXKFNYOWJRITB-FQEVSTJZSA-N 304.437 4.636 30 20 DJED Cc1cccc(C)c1[C@@H]1CCCN1CCc1ccc(C#N)cc1 1307921783 ZFUJJTLGTDKNPJ-FQEVSTJZSA-N 304.437 4.555 30 20 DJED O=C1/C(=C/c2ccc(N3CCCC3)cc2)Cc2cc(Cl)ccc21 1318850800 PBXHCRCWUPZODY-LFIBNONCSA-N 323.823 4.763 30 20 DJED C[C@H]1CC[C@@H](OC(=O)c2ccccc2Oc2ccccc2C#N)C1 1435778213 OAJWNQUTJXUWLW-GOEBONIOSA-N 321.376 4.696 30 20 DJED CN(C(=O)CC1(C)CCCCC1)c1ccc(C#N)c(Cl)c1 1462059606 NZEIDTWGTXXBQC-UHFFFAOYSA-N 304.821 4.535 30 20 DJED CC(C)c1ccc(C(C)(C)NC(=O)Nc2ccc(C#N)cc2)cc1 1475823527 HYHZYMFZNBJKKZ-UHFFFAOYSA-N 321.424 4.738 30 20 DJED C[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)C1CCCCCC1 1515018832 HBQMMZMXDOLTKL-LPHOPBHVSA-N 312.457 4.549 30 20 DJED Cc1c(C(=O)O[C@H]2CCC[C@H](C#N)C2)sc2cccc(F)c12 1525049795 YLKNYJNOZWHBSY-RYUDHWBXSA-N 317.385 4.588 30 20 DJED CC(C)[C@@H]1C[C@@H](OC(=O)c2ccc(C#N)s2)c2ccccc21 1538818225 KIEARMHDIXFSTR-JKSUJKDBSA-N 311.406 4.661 30 20 DJED CC(C)(C)c1csc(NC(=O)[C@@H]2CC3CCC2CC3)c1C#N 1544839795 KJZOFPHMOQATTA-WXRRBKDZSA-N 316.470 4.682 30 20 DJED C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3ccc(C#N)s3)c21 1584946349 GHHDEMPBIZGVRA-LLVKDONJSA-N 310.422 4.657 30 20 DJED N#CCc1ccc(CN(CCc2ccccc2)C2CCCC2)cc1 1615451325 RIOFFQCVHWIPGW-UHFFFAOYSA-N 318.464 4.740 30 20 DJED Cc1cc(C#N)ccc1CN1c2ccccc2S[C@@H](C)[C@@H]1C 1642123342 MJBOXDBXSXRPLF-GJZGRUSLSA-N 308.450 4.756 30 20 DJED CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNc1c(C#N)nnc2ccccc12 1642172381 DMAISGSFVFSQCE-OAGGEKHMSA-N 322.456 4.622 30 20 DJED COCC[C@H](Sc1ccc(C#N)cc1F)c1ccccc1 1643724506 JEVZPEZIGUYEDO-INIZCTEOSA-N 301.386 4.567 30 20 DJED CCc1ccc(CN(Cc2ccc(C#N)s2)CC(C)C)cc1 1646368387 ZMDBHRPYPCTFTR-UHFFFAOYSA-N 312.482 4.840 30 20 DJED Cc1ccccc1SC[C@@H](C)CN1CCc2ccc(C#N)cc21 1654032248 KCMZTYZBPGVNDT-HNNXBMFYSA-N 322.477 4.658 30 20 DJED C=C(CNCc1ccc(Br)cc1C)c1ccccc1 1661311176 VCVQOZTWPIGDHW-UHFFFAOYSA-N 316.242 4.561 30 20 DJED CC[C@@H]1CCCC(=NNc2ccc(Cl)c(C(=O)O)c2)CC1 1776034269 WWEVHMBSSXJQIQ-LLVKDONJSA-N 308.809 4.796 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NC[C@@H]1CCCC(C)(C)C1 1776783358 SOZCJQVMYCBSFX-SJORKVTESA-N 311.510 4.996 30 20 DJED C#CCCOc1ccc(CNc2cccc(C(F)F)c2)cc1 128522933 XMPWUWQBAWUHAX-UHFFFAOYSA-N 301.336 4.638 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1Cl)c1ccccc1Cl 162662416 QFOMXKXPYWGKPB-LLVKDONJSA-N 305.208 4.716 30 20 DJED CC(/C=C1/CCOc2ccc(F)cc2C1=O)=C\c1ccccc1 208020901 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Cc1cc(C)c(C#N)c(SCc2ccccc2C(C)(C)C#N)n1 487207641 FYROTGSPBOULGR-UHFFFAOYSA-N 321.449 4.664 30 20 DJED C=CCCC[C@H](C)NC(=O)c1cc(Cl)c(F)cc1Cl 497934652 BAXUTLWXBNWUEF-VIFPVBQESA-N 304.192 4.607 30 20 DJED CCN(Cc1cccc(Br)c1)CC(C)(C)CCC#N 507188796 RQFMNKXXJAPJLO-UHFFFAOYSA-N 323.278 4.601 30 20 DJED C=CCCO[C@@H](C)c1nc([C@H](c2cccc(C)c2)C(C)C)no1 514830470 IMMYYDNTSPOCFY-RDJZCZTQSA-N 314.429 4.820 30 20 DJED C=CC[C@H](C)NC(=O)Nc1ccccc1Oc1cccc(F)c1 522656912 SJXIQEWWBLYLFN-ZDUSSCGKSA-N 314.360 4.704 30 20 DJED C=CCC[C@@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 536842006 XSGMCMDUGMSHHO-QFBILLFUSA-N 323.436 4.816 30 20 DJED Cc1ccc(CNc2ncc(Cc3ccc(C#N)cc3)s2)cc1 541820873 KUKOQXZJJFCSDC-UHFFFAOYSA-N 319.433 4.526 30 20 DJED CCN(C(=O)c1ccc(Cl)c(C#N)c1)c1cccc(Cl)c1 543474376 QRLYEGWZLWEHEH-UHFFFAOYSA-N 319.191 4.532 30 20 DJED C[C@@H](NCCc1cc2ccccc2s1)c1cccc(C#N)c1 550883431 ZMALWVNWIKLBAG-CQSZACIVSA-N 306.434 4.666 30 20 DJED C=CCC[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 565924883 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C=CC[C@H](N[C@@H]1CCSc2ccc(F)cc21)c1ccncc1 766023667 WNMIRZDIBRJXRY-DLBZAZTESA-N 314.429 4.665 30 20 DJED CC(C)(C)Nc1ccccc1NCCCOc1cccc(C#N)c1 766134297 ZBJBEQNDQZLRSO-UHFFFAOYSA-N 323.440 4.650 30 20 DJED O=C(/C=C\c1cncs1)c1ccc(-c2ccc(F)cc2)s1 767720520 CPEHULTYFMEBCM-WAYWQWQTSA-N 315.394 4.907 30 20 DJED CCC[C@@H](C(=O)OCCCCC(C)(C)C#N)c1ccccc1 768509332 FBYVODVBZOZRDE-QGZVFWFLSA-N 301.430 4.834 30 20 DJED CCc1c(C(C)=NNc2nccnc2C(C)C)oc2ccccc12 773095153 VWHHGDYWHBEFHO-UHFFFAOYSA-N 322.412 4.745 30 20 DJED CCc1c([C@H](C)NCc2cc(C#N)ccc2F)oc2ccccc12 776164663 JLGUNEYRJUMJHM-ZDUSSCGKSA-N 322.383 4.857 30 20 DJED C[C@@H](C#N)Oc1ccccc1N[C@H](C)c1ccc(Cl)cc1 779712238 DUEDHKHPMMWSEL-QWHCGFSZSA-N 300.789 4.804 30 20 DJED CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 796627450 AXODFMICLJSGJC-PVAVHDDUSA-N 306.409 4.627 30 20 DJED CCCCN(Cc1ccccc1O)[C@H](C)c1cccc(C#N)c1 801596539 DVKYUCPYLRQKDF-MRXNPFEDSA-N 308.425 4.627 30 20 DJED C#C[C@@H](NCc1cnc(C2CCC2)s1)c1ccc(Cl)cc1 811516282 IORPDCXNWRQCSF-MRXNPFEDSA-N 316.857 4.528 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)/C(F)=C\C2CCCCC2)n1 815970622 FAVQXFXBZDLQAR-SJWLEHQBSA-N 320.433 4.876 30 20 DJED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 915087626 VYLFDNYBWGDEJW-HXUWFJFHSA-N 318.420 4.861 30 20 DJED C=CCN(C(=O)Nc1cccc(OCCC(C)C)c1)C(C)C 920783448 NKZBHKPFQGMUKD-UHFFFAOYSA-N 304.434 4.540 30 20 DJED N#CCC1(CN[C@H](c2ccc(Cl)cc2)C2CCCC2)CC1 1192780501 HVTUNTMZMXOZLL-KRWDZBQOSA-N 302.849 4.855 30 20 DJED CC(C)C[C@@H]1CCCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 1214367895 LJVZFIVIMPSYGO-HNNXBMFYSA-N 319.836 4.644 30 20 DJED N#Cc1sccc1C(=O)Nc1ccc(-c2ccccc2)cc1 1264233435 SDUDLUVQWAQMFA-UHFFFAOYSA-N 304.374 4.539 30 20 DJED C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C2CCC2)cc1 1270745988 JCYIFKXNYHTIHB-HNNXBMFYSA-N 318.420 4.643 30 20 DJED Cc1nc(Nc2ccc(NC3CCCCC3)cc2)ccc1C#N 1306924969 QJQZRHSFDYZLTE-UHFFFAOYSA-N 306.413 4.750 30 20 DJED N#C[C@H]1CC[C@@H](OC(=O)c2sc3cc(F)ccc3c2Cl)C1 1342575307 ODKPJQXQRJORGR-WCBMZHEXSA-N 323.776 4.543 30 20 DJED CC(C)CCc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1 1351865829 QVRSXUIGFHMNGN-UHFFFAOYSA-N 306.409 4.594 30 20 DJED CCC(C#N)(CC)C(=O)NCc1ccc(-c2cccc(C)c2)cc1 1360566254 HJRSVNUXTFLBPG-UHFFFAOYSA-N 320.436 4.608 30 20 DJED COc1ccc(C#N)cc1NCCc1ccc(C(C)(C)C)cc1 1462072025 UUTZYTKERQWASN-UHFFFAOYSA-N 308.425 4.519 30 20 DJED CCN(Cc1cc(O)ccc1Cl)[C@@H](C)c1ccc(C#N)cc1 1473118119 WGQRSIMFFRWLTA-ZDUSSCGKSA-N 314.816 4.500 30 20 DJED Cc1ccc(CSc2ccccc2C#N)cc1Br 1559373400 JCXNVFZQOKWNCV-UHFFFAOYSA-N 318.239 4.922 30 20 DJED C[C@H](NCCc1ccc(C#N)cc1)c1cc(Cl)ccc1Cl 1617373500 OQHGZWMVDWTMKZ-LBPRGKRZSA-N 319.235 4.758 30 20 DJED CC(C)c1ccc(CC2CCN(CC3(CC#N)CC3)CC2)cc1 1642611944 ZBBMEUDNXXLGMU-UHFFFAOYSA-N 310.485 4.758 30 20 DJED CC(C)[C@H](CNc1ccc(Cl)c(C#N)n1)Cc1ccccc1 1650983780 MXTPRVYMKQMWBV-HNNXBMFYSA-N 313.832 4.533 30 20 DJED CCC1(CC)CN(Cc2cccc(C#N)c2F)c2ccccc21 1657873491 UGUGNXIJIAZVIV-UHFFFAOYSA-N 308.400 4.775 30 20 DJED Cc1ccc(C#N)cc1NCc1cnc(-c2ccccc2F)s1 1658086925 NJWUVMOUVGCZBF-UHFFFAOYSA-N 323.396 4.741 30 20 DJED CCCCCCCC[C@H](C)C(=O)N(C)c1ccccc1C(=O)O 1776786801 OLJYKQYMTHMWRA-HNNXBMFYSA-N 319.445 4.734 30 20 DJED O=C(O)c1cccc(/C=C/C(=O)c2cccc(Cl)c2Cl)c1 1777685381 RHHJRHVWJJPGGB-BQYQJAHWSA-N 321.159 4.588 30 20 DJED C[C@H](CC1CCCC1)C(=O)Nc1ccccc1SCCC#N 74591182 KWFAWLVLUTVDJU-CQSZACIVSA-N 316.470 4.847 30 20 DJED CCCCCCCC(=O)Nc1ccc(NC(=O)CC(C)C)cc1 100288689 MJVJVDNRBLNDCG-UHFFFAOYSA-N 318.461 4.970 30 20 DJED N#Cc1c(F)cccc1NCCc1ccc(Cl)cc1Cl 105790604 ZKCSKHMUEQPZJP-UHFFFAOYSA-N 309.171 4.659 30 20 DJED C[C@H](N[C@H](C)c1cnc2ccsc2c1)c1ccc(C#N)cc1 126490803 AZKQZWXCBOQPGH-QWHCGFSZSA-N 307.422 4.580 30 20 DJED C[C@H](OC(=O)c1sc2ccccc2c1Cl)C(C)(C)C#N 131718081 ICODQUBTXHBAEN-VIFPVBQESA-N 307.802 4.650 30 20 DJED CC(C)(C#N)CCCOc1ccccc1C(=O)Nc1ccccc1 177164775 DMIICEWXDQSZDA-UHFFFAOYSA-N 322.408 4.648 30 20 DJED C=C[C@H](CC(=O)N1CCC[C@H]1c1cccc(F)c1)c1ccccc1 179033009 CKHMHVOOUOCFLP-UZLBHIALSA-N 323.411 4.849 30 20 DJED COc1ccc([C@@H](N[C@H](C)c2ccc(C#N)cc2)C(C)C)cc1 181420075 HCQGMWBXRSMEDE-QRWLVFNGSA-N 308.425 4.615 30 20 DJED CC[C@H](C)[C@@H](C)C(=O)Nc1ccccc1SC[C@H](C)C#N 248534187 GCNBOAHTZGVMOX-HZSPNIEDSA-N 304.459 4.559 30 20 DJED C[C@@H](NCCCC(C)(C)C#N)c1ccc(Oc2cccnc2)cc1 289375508 IRABRDUVWJHXGH-MRXNPFEDSA-N 323.440 4.854 30 20 DJED N#Cc1ccc(F)c(C/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c1 329052406 ABAMWWGOZAJUPP-BHYGNILZSA-N 314.404 4.760 30 20 DJED CCC1CCC(N(C)C(=O)Nc2ccc(C#N)cc2Cl)CC1 426134128 RIVUQKDIXSHHQB-UHFFFAOYSA-N 319.836 4.644 30 20 DJED Cc1ccc([C@@H](C)N(C)C(=O)Nc2cccc(C#N)c2C)c(C)c1 431940270 TZIYSTXUBQZRSE-MRXNPFEDSA-N 321.424 4.708 30 20 DJED C=CCSc1ccccc1NC(=O)CSCC=C(C)C 446111751 BGCUITCRERFGBJ-UHFFFAOYSA-N 307.484 4.603 30 20 DJED Clc1cccc(C#CCN2CCC[C@@H]2c2ccsc2)c1 446762886 RVFBZWSOGNPPSH-QGZVFWFLSA-N 301.842 4.590 30 20 DJED C=CCC[C@@H](NC(=O)N(C)c1ccc(F)cc1)c1ccccc1 469176952 QHERCKJKLAOVBX-GOSISDBHSA-N 312.388 4.679 30 20 DJED Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2ccc(C#N)s2)cc1 487567592 BQJSWQWXISWHCC-RDTXWAMCSA-N 324.449 4.542 30 20 DJED COc1cc(C#N)ccc1CN[C@H](c1ccccc1)C1CCCC1 501238079 XRELQYGCJQMFGM-OAQYLSRUSA-N 320.436 4.588 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)c1ccccc1F 512506268 JHRYBQMUNUTMPN-MRXNPFEDSA-N 315.436 4.742 30 20 DJED C=CCC[C@@H](NCCCn1c(C)nc2ccccc21)c1ccco1 513760742 KGKUDQVASIVULY-GOSISDBHSA-N 323.440 4.625 30 20 DJED CC(C)(CCC#N)CNc1ccc(-c2cn3ccccc3n2)cc1 532890361 ZUTYCMUIFIBCIB-UHFFFAOYSA-N 318.424 4.743 30 20 DJED C=C(C)[C@H](CC(=O)N1CCCCC[C@H]1c1ccccc1)OCC 534425782 QMDPWYOXBPGPBE-OALUTQOASA-N 315.457 4.502 30 20 DJED N#Cc1ccc(NC2CCC(F)(F)CC2)c(C(F)(F)F)c1 535599933 XNGLZKPCVJDEED-UHFFFAOYSA-N 304.262 4.567 30 20 DJED CC[C@@H](CC#N)NCc1ccc(-c2ccccc2Cl)s1 546579168 IZMNTLWJTYXAFP-LBPRGKRZSA-N 304.846 4.850 30 20 DJED C=C(C)[C@H](NC(=O)C1=CCCCCC1)c1ccc(F)c(F)c1 547845479 HTXXXAOSCOTDGB-KRWDZBQOSA-N 305.368 4.589 30 20 DJED N#Cc1ccc2c(c1)[C@@H](NCc1cccc(Cl)c1Cl)CC2 554986983 DAIFMZSYIUFGHY-INIZCTEOSA-N 317.219 4.642 30 20 DJED Cc1cc2occ(C(=O)N[C@](C)(C#N)C3CCCCC3)c2cc1C 566848524 JVXFWCIZNBACII-HXUWFJFHSA-N 324.424 4.642 30 20 DJED CC(C)c1cccc(C(=O)N(CCC#N)c2ccc(F)cc2)c1 597180491 UHGYOWPDSTVOEM-UHFFFAOYSA-N 310.372 4.510 30 20 DJED CCc1sc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)cc1C 598885871 SLAPBEJANCURGM-UHFFFAOYSA-N 324.449 4.690 30 20 DJED CC(C)=C[C@H]1[C@@H](C(=O)N(Cc2ccc(C#N)cc2)C(C)C)C1(C)C 603527624 XFDOSHUEDUCZOP-OALUTQOASA-N 324.468 4.534 30 20 DJED C=CCCCCCN(C)C(=O)N[C@H](CC)c1cc(F)ccc1F 607252759 SFNAXQYGJRLRIY-QGZVFWFLSA-N 324.415 4.804 30 20 DJED C=CCC(C)(C)CNC(=O)[C@@H](C)c1ccccc1C(F)(F)F 644962045 VDCQCUQPHDXVDY-LBPRGKRZSA-N 313.363 4.527 30 20 DJED C#Cc1cccc(N(Cc2cccs2)C(=O)CCC(C)C)c1 728181433 HYNJPJDBFDUBNO-UHFFFAOYSA-N 311.450 4.699 30 20 DJED CC(C)(C)c1ccc(C=NOCc2ccc(F)cc2C#N)cc1 728569216 RIIDDXOEYMGDRX-UHFFFAOYSA-N 310.372 4.546 30 20 DJED COc1ccc(/C=C\C(=O)c2cccc(Cl)c2Cl)cc1 734980968 NJZCAELWXVNRGF-YFHOEESVSA-N 307.176 4.898 30 20 DJED CCCCCC[C@H](CC)C(=O)N(C)Cc1ccc(C#N)cc1 734999586 SGFDJNINWPIUAN-SFHVURJKSA-N 300.446 4.513 30 20 DJED O=C(/C=C/c1ccccc1OCc1ccccc1)c1cncs1 735792338 BXOSFXFJLGWRCW-ZHACJKMWSA-N 321.401 4.618 30 20 DJED O=C(/C=C\c1coc(-c2ccccc2)n1)c1c[nH]c2ccccc12 749893522 ZALTYFITVWJOAB-KHPPLWFESA-N 314.344 4.719 30 20 DJED Cc1cc(/C=C2/Cc3c(Cl)cccc3C2=O)cnc1Cl 760264137 JXWOXRKWQGUXJJ-WDZFZDKYSA-N 304.176 4.519 30 20 DJED COc1ccc2oc(/C=C/C(=O)c3ccc(F)cc3F)cc2c1 763291184 WXJOFYLIUJFPQS-ZZXKWVIFSA-N 314.287 4.616 30 20 DJED Cc1ccccc1C(C)(C)C(=O)OCCCCC(C)(C)C#N 768649085 BJRLZHBCCFCYCA-UHFFFAOYSA-N 301.430 4.536 30 20 DJED N#Cc1ccc(SC[C@@H](O)c2ccc(Cl)cc2)c(Cl)c1 774614293 KBBXCOIRIPMITD-CQSZACIVSA-N 324.232 4.691 30 20 DJED O=C1/C(=C\c2ccc(F)nc2)CCc2c1sc1ccccc21 777467241 JSMYVXWYYJZTEK-XFXZXTDPSA-N 309.365 4.648 30 20 DJED O=C(/C=C/c1cc(Cl)cc(C(F)(F)F)c1)c1ccco1 780185854 BZEFREVWGGXDLP-ONEGZZNKSA-N 300.663 4.848 30 20 DJED CC[C@H](Cc1ccc(C)cc1)Nc1ccccc1O[C@@H](C)C#N 780746328 YPWDKHBWYXIHPZ-FUHWJXTLSA-N 308.425 4.719 30 20 DJED CSc1ccc(CON=Cc2ccccc2OC(F)F)cc1 836289421 TXZJISSYRLTLDI-UHFFFAOYSA-N 323.364 4.561 30 20 DJED O=C1/C(=C\c2ccsc2)COc2c(Cl)cc(Cl)cc21 912859336 ZVZHVTXSGJMFPG-OQFOIZHKSA-N 311.189 4.714 30 20 DJED Clc1cccc(-c2nc(CON=Cc3cccs3)co2)c1 914571959 WGRMRZCTMOXMEK-UHFFFAOYSA-N 318.785 4.607 30 20 DJED COc1ccc(CCC(C)=NNc2ccc3ccccc3n2)cc1 916286695 PFZYTJJUGVMDHN-UHFFFAOYSA-N 319.408 4.664 30 20 DJED CCc1nc2ccc(Nc3ccc(Cl)c(C#N)n3)cc2s1 1163590511 CGTIUWKZRYZUIV-UHFFFAOYSA-N 314.801 4.522 30 20 DJED CC[C@@H](Cc1cccs1)N[C@H]1CCCc2cc(C#N)ccc21 1182433888 LFHNNRNRCRNUFP-LPHOPBHVSA-N 310.466 4.608 30 20 DJED Cc1cc(C)c(/C=C\CNC2(c3cccc(C#N)c3)CC2)c(C)c1 1308401397 NFMPUERKWPVLTC-YVMONPNESA-N 316.448 4.776 30 20 DJED COc1cc(O)ccc1/C=C\C(=O)c1ccc(C(C)(C)C)cc1 1317743125 HDTVAXGVMCEFCV-WQLSENKSSA-N 310.393 4.594 30 20 DJED C[C@H](Cc1cccc(Cl)c1)c1nnc(-c2cccc(C#N)c2)o1 1325779969 QZXITMFCJQQRAL-GFCCVEGCSA-N 323.783 4.608 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C#N)c(Cl)c1 1358232744 VJPXFORHZAXIHN-ZBFHGGJFSA-N 318.848 4.546 30 20 DJED Cc1ccc(C)n1C1CCN(CCC2(C#N)CCCCC2)CC1 1459413303 MVYVTVSXSJGTKE-UHFFFAOYSA-N 313.489 4.606 30 20 DJED C[C@H](OC(=O)c1cc(Cl)ccc1Cl)c1cccc(C#N)c1 1518183903 KPPLLUVVUUOOEN-JTQLQIEISA-N 320.175 4.783 30 20 DJED Cc1cccc(COc2ccc(CNC[C@H](C)CCC#N)cc2)c1 1560754721 PSHZBDLNYKRAEW-GOSISDBHSA-N 322.452 4.604 30 20 DJED COc1cc(Oc2nc3c(C)cc(C)cc3s2)ccc1C#N 1612322213 YGOGCMXENHNNGN-UHFFFAOYSA-N 310.378 4.586 30 20 DJED Cc1ccc(Oc2ccc(Nc3nc(C)cc(C#N)n3)cc2)cc1 1639357277 UROMRPGOQDPGIR-UHFFFAOYSA-N 316.364 4.501 30 20 DJED CCc1ccccc1CCOc1c(C#N)cnc2ccc(C)cc12 1641155565 KPYKAULAVXVAOT-UHFFFAOYSA-N 316.404 4.599 30 20 DJED C=C(Cl)CSc1nnc2cc(C)c3cc(C)cc(C)c3n12 1651668861 MATACASLKILRCK-UHFFFAOYSA-N 317.845 4.652 30 20 DJED Cc1ccnc(N[C@@H]2CC(C)(C)CCc3ccccc32)c1C#N 1651782261 VYRDUJOLPWAHHC-GOSISDBHSA-N 305.425 4.777 30 20 DJED Cc1ccc(SCc2ccc(C#N)cc2OC(F)F)s1 1652896227 HQHKDRTWCKMUJM-UHFFFAOYSA-N 311.378 4.822 30 20 DJED Cc1sc(CNc2cccc(C#N)c2C)cc1Br 1656341088 JKNFQCFVCDIDKS-UHFFFAOYSA-N 321.243 4.611 30 20 DJED CCC[C@H](NCc1ccc(Br)cc1C#N)C(C)(C)C 1658685975 YKTKEDBNBVTXAM-HNNXBMFYSA-N 323.278 4.625 30 20 DJED C=C(CNCc1cnc(-c2ccc(C)o2)s1)c1ccccc1 1661310842 LZYDOSKLNAFNKY-UHFFFAOYSA-N 310.422 4.515 30 20 DJED CCN(Cc1ccc(Sc2ccccc2)cc1)C[C@H](C)C#N 1663929370 KCGOSYSCGDUYCW-MRXNPFEDSA-N 310.466 4.819 30 20 DJED C[C@H]1C[C@H]1c1ccc(CN(Cc2cc(C#N)ccc2F)C2CC2)o1 30152781 HKHPBHAQXYCOCX-SCLBCKFNSA-N 324.399 4.578 30 20 DJED Cc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1Br 104058164 NRAVWQIHVXHTOG-LBPRGKRZSA-N 315.214 4.802 30 20 DJED C=CCC(CC=C)C(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F 150963708 RIXNHOOFYQLRFI-KBXCAEBGSA-N 301.405 4.504 30 20 DJED CC[C@@H](CC#N)NC(=O)Nc1ccc(SC(C)(C)C)cc1C 155959210 KJTPODKOBPARIO-ZDUSSCGKSA-N 319.474 4.699 30 20 DJED Cc1cc(C)c(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)o1 175117187 MAFNXJIIEIEZAX-CQSZACIVSA-N 322.389 4.510 30 20 DJED Cc1cscc1C(=O)Nc1sc(-c2ccccc2)cc1C#N 175641099 ATXNCVCNCLMUKI-UHFFFAOYSA-N 324.430 4.909 30 20 DJED C[C@@H](NCc1ccc(Cl)cc1C#N)c1ccc(Cl)s1 187495485 PIMPDNNRDQTQAY-SECBINFHSA-N 311.237 4.777 30 20 DJED C[C@@H]1Sc2sccc2C(=O)/C1=C\c1cccnc1Cl 255405223 OQHVOTGRGSPJSC-CLUBXZQOSA-N 307.827 4.557 30 20 DJED Cc1cccc(C)c1N/C(O)=N/C[C@H]1CCC2(CCCCC2)O1 330107660 MMIPSIFLNRYBQL-MRXNPFEDSA-N 316.445 4.511 30 20 DJED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1CC#N 410961653 AXCDLFAQWSIPFQ-DOMZBBRYSA-N 304.821 4.561 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2nc(C3CC3)cs2)CCCC1(C)C 436102974 OIQLOXRYMSCUCK-AWEZNQCLSA-N 319.474 4.619 30 20 DJED CCOc1ccc(OC)cc1N[C@@H](CC)c1ccc(C#N)cc1 447603862 ZAXDCUHORMQNOI-KRWDZBQOSA-N 310.397 4.529 30 20 DJED C=CC[C@H](CC)NC(=O)N1CCC(c2cccc(Cl)c2)CC1 466396288 QFXCJWNXEDVENU-KRWDZBQOSA-N 320.864 4.584 30 20 DJED C=CCCOCCCCC(=O)N1C[C@H](C(C)C)c2ccccc21 470386911 KGNBTYLWDKHLQS-GOSISDBHSA-N 315.457 4.536 30 20 DJED C=CCCCC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 479648391 KWWYDVPFTWDLPF-UHFFFAOYSA-N 306.365 4.645 30 20 DJED N#CCCCCNCc1c(Cl)cccc1Oc1ccccc1 480000711 URJHZDZRTZCXOF-UHFFFAOYSA-N 314.816 4.916 30 20 DJED N#Cc1cccc(CSc2nc3ccccc3n2C(F)F)c1 481034944 LTPICHDTVNWDDT-UHFFFAOYSA-N 315.348 4.595 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccccc1Cl 481935695 ZZDDJTYKBUZDSF-LJQANCHMSA-N 310.828 4.769 30 20 DJED C=CCC1(C(=O)Nc2cc(Cl)c(Cl)cc2OC)CCC1 485904293 FCEVHTIWTJDVJZ-UHFFFAOYSA-N 314.212 4.687 30 20 DJED C=CCC(C)(C)C(=O)N1CC=C(c2ccccc2Cl)CC1 496029996 SVZFTBVSJCRCIX-UHFFFAOYSA-N 303.833 4.558 30 20 DJED COc1ccc(CN(C)[C@H](C)c2cc3ccccc3o2)cc1C#N 536115162 WSTBFRPZNYWYSW-CQSZACIVSA-N 320.392 4.506 30 20 DJED Cc1cccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c1C 540274376 OBUCHPGJDRYDSP-UHFFFAOYSA-N 312.438 4.786 30 20 DJED C[C@@H]1C[C@H]1c1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)o1 571018267 ODSDEQBPOPLVRL-XMCHAPAWSA-N 320.436 4.832 30 20 DJED CC[C@@H](CC(=O)Nc1ccccc1CC#N)c1ccc(C)cc1 571799213 FPYKONBFHRFMKA-INIZCTEOSA-N 306.409 4.584 30 20 DJED CC(C)(CCC#N)CNC(=O)c1ccc(C2CCCCC2)cc1 574922773 IZRCIFPHXWWCIX-UHFFFAOYSA-N 312.457 4.794 30 20 DJED Cc1cc(C)c(CN[C@H]2CCCc3cc(C#N)ccc32)c(C)c1 575346219 WAEOBBHXTHJBJC-NRFANRHFSA-N 304.437 4.651 30 20 DJED CC(C)(C#N)CCCCSc1nnc(-c2ccc(F)cc2)o1 577592860 NLEAUURGWPACKO-UHFFFAOYSA-N 319.405 4.688 30 20 DJED C=CCC(F)(F)c1nc(-c2ccc(O[C@H](C)CC)cc2)no1 579031548 NSEQXIDDFHTQEQ-LLVKDONJSA-N 308.328 4.582 30 20 DJED C=CCCC(=O)Nc1ccc(Sc2nc(C)cs2)cc1 588030334 QOBTYIHFTOEFNA-UHFFFAOYSA-N 304.440 4.507 30 20 DJED CCOc1ccc(CN[C@H](CCC#N)c2ccccc2)c(C)c1 594949385 CWTYAQUAVJLZRT-HXUWFJFHSA-N 308.425 4.528 30 20 DJED N#CC1(c2ccc(-c3ccc(Cn4ccnc4)cc3)s2)CCC1 596642251 PJWKHHDCIOTVKD-UHFFFAOYSA-N 319.433 4.605 30 20 DJED Cc1c(CSC(C)C)cccc1NCc1cccc(C#N)n1 602492687 OOUFFPYWJLMGIU-UHFFFAOYSA-N 311.454 4.515 30 20 DJED Cc1cc(C#N)ccc1CN(Cc1ccco1)Cc1cccs1 614395980 ICNVENLHKLOGAZ-UHFFFAOYSA-N 322.433 4.724 30 20 DJED O=C1/C(=C/c2cccc(C(F)(F)F)c2)CCc2c(O)cccc21 742434970 OSETWIMLZOTGNS-FMIVXFBMSA-N 318.294 4.624 30 20 DJED CCCCCCCCCC(=O)N[C@H]1CCOC2(CCCC2)C1 768375421 NHFPSDDWNCFWGL-KRWDZBQOSA-N 309.494 4.735 30 20 DJED CCOc1cc(/C=C\C(=O)c2ccco2)ccc1OCC(C)C 769772386 YSIAQLDPOXQAOP-CLFYSBASSA-N 314.381 4.609 30 20 DJED Cc1cc(/C=C\C(=O)c2occc2C)ccc1Oc1cccnc1 769784455 VUOYUUADVFOFSN-ALCCZGGFSA-N 319.360 4.980 30 20 DJED O=C(/C=C\c1cccc(Br)c1)c1cccc(F)c1F 776268397 NDLNMOVBNYBALD-FPLPWBNLSA-N 323.136 4.623 30 20 DJED Cc1ccc(N[C@H](C)c2ccc(C#N)c(F)c2)cc1OC(C)C 786941931 OQIJWOKMUZYHBC-CQSZACIVSA-N 312.388 4.966 30 20 DJED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cccc(C)c1C 815719311 ALZGDXQCYJKOSJ-INIZCTEOSA-N 307.384 4.568 30 20 DJED C=CCN(C(=O)Cc1coc2ccc3ccccc3c12)C(C)C 914683159 IUCSXBMKJJDJEP-UHFFFAOYSA-N 307.393 4.552 30 20 DJED CCCCNN=Cc1c(-c2ccccc2)n(C)c2ccccc12 915966290 OSGDLKOPEAWZGH-UHFFFAOYSA-N 305.425 4.569 30 20 DJED C=C(CC)C(=O)N(CC)[C@@H](c1ccc(CC)cc1)c1cccnc1 1123566266 OJFBVENLYLYUNG-FQEVSTJZSA-N 322.452 4.548 30 20 DJED C[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 1125470061 MEGHNUBQXLKCNT-HOCLYGCPSA-N 320.392 4.725 30 20 DJED N#Cc1ccc2c(c1)CCCN2C(=O)CCCC1CCCCC1 1129144994 VAUKFTQDYYRQKZ-UHFFFAOYSA-N 310.441 4.588 30 20 DJED N#Cc1cc(F)ccc1CN1CC2(CCCC2)[C@@H]1c1ccccc1 1170905233 NBOPFFGZDGONGM-FQEVSTJZSA-N 320.411 4.815 30 20 DJED N#Cc1cnc(N2CCCCC[C@@H]2/C=C\c2ccccc2)c(F)c1 1186060907 CHTXCJALQJIBIB-RXQFDZFGSA-N 321.399 4.555 30 20 DJED CC(C)CN(C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1ccc(C#N)cc1 1264412722 MLPRUENWJZPFQL-SOLBZPMBSA-N 312.457 4.620 30 20 DJED N#CCc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 1272973123 LTHRKRSSJMNNQZ-UHFFFAOYSA-N 312.372 4.672 30 20 DJED CCN(C(=O)c1sc2ccc(C#N)cc2c1C)[C@@H](C)C(C)C 1528469141 UUCCGTYTAWMWIM-ZDUSSCGKSA-N 314.454 4.588 30 20 DJED Cc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2C)cc1C#N 1529323698 FAZAJJLGJCDNCT-HXUWFJFHSA-N 320.436 4.692 30 20 DJED C[C@@H](Cc1ccccc1)C(=O)Nc1cc2ccccc2cc1C#N 1535800728 VGGTUDIJHKPSNF-HNNXBMFYSA-N 314.388 4.529 30 20 DJED CCc1ccc([C@H](C)CC(=O)Nc2cc(C)cc(C#N)c2)cc1 1535893365 UYJNBTMFOVJPKD-OAHLLOKOSA-N 306.409 4.561 30 20 DJED CC[C@@H](C#N)N(CC)C(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1 1538757697 SVEKDBUZRUZAGL-IRXDYDNUSA-N 320.864 4.620 30 20 DJED Cc1ccc(C(=O)O[C@H](C)c2cccc(Cl)c2F)cc1C#N 1584251142 WHGXJBIGHBDVBC-LLVKDONJSA-N 317.747 4.577 30 20 DJED CO[C@H]1c2ccccc2C[C@H]1Sc1ccc(C#N)cc1Cl 1613627361 JHINPMDJNRTSGK-SJORKVTESA-N 315.825 4.616 30 20 DJED C[C@@H]1N(C(=O)c2ccc(C#N)c(Cl)c2)c2ccccc2C1(C)C 1617703860 GQVRVUHFBKNNMP-LBPRGKRZSA-N 324.811 4.538 30 20 DJED C[C@H](NCc1cnsc1)c1ccc(-c2cccc(C#N)c2)cc1 1620898139 JBWDRAKHERCAKV-AWEZNQCLSA-N 319.433 4.533 30 20 DJED Cc1cc(Nc2ccc(Oc3ccc(C#N)cc3)cc2)nc(C)n1 1639368551 WEKDTSOCRMVHKI-UHFFFAOYSA-N 316.364 4.501 30 20 DJED CCC[C@H](CC)Sc1nccc(Oc2cccc(C#N)c2)n1 1639876514 KKVIUYASGIAAGA-HNNXBMFYSA-N 313.426 4.811 30 20 DJED CC[C@@H](c1cccc(OC)c1)N(C)CCC1(C#N)CCCCC1 1642993596 XXZGPIDYCOJQTQ-IBGZPJMESA-N 314.473 4.942 30 20 DJED CN(Cc1ccc(C#N)s1)[C@@H]1CCCC[C@H]1c1ccccc1 1646189933 JKMSILRYZQLUPA-RBUKOAKNSA-N 310.466 4.778 30 20 DJED N#C[C@H](c1ccccc1)N1CCC(c2cc3ccccc3[nH]2)CC1 1653265353 ZZVPSHZTHKZZHT-OAQYLSRUSA-N 315.420 4.612 30 20 DJED Cc1ccc(-c2cc(COc3cc(Cl)cc(C#N)c3)on2)cc1 1656603510 NSPAKASUKKQBAD-UHFFFAOYSA-N 324.767 4.754 30 20 DJED Cc1[nH]c2ccccc2c1C1=CCN(C[C@@H](C)CCC#N)CC1 1657576276 QQLPBYUTBWALPA-HNNXBMFYSA-N 307.441 4.505 30 20 DJED CC(C)c1ccc2c(c1)[C@H](NCc1ccc(C#N)c(F)c1)CC2 1658958448 KTDAVHRPCJOGKP-HXUWFJFHSA-N 308.400 4.598 30 20 DJED CCC[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)C(C)(C)C 1669350619 MXWRIXDEMLCBTI-CQSZACIVSA-N 307.825 4.548 30 20 DJED Cc1c(NN=C2C[C@H](C(C)C)c3ccccc32)cccc1C(=O)O 1776088079 NYTDBPXETYSRRW-QGZVFWFLSA-N 322.408 4.653 30 20 DJED C[C@@H]1CCC[C@H](Sc2nc(C(F)(F)F)ccc2C#N)C1 94336974 IHIHDZIPROBYHG-KOLCDFICSA-N 300.349 4.643 30 20 DJED CCOc1ccc([C@@H]2CCCN2CCCC(C)(C)C#N)cc1 174811648 TUBWLWNPGHZUIV-SFHVURJKSA-N 300.446 4.552 30 20 DJED O=C(/C=C\c1csc(-c2ccc(F)cc2)n1)c1ccsc1 254983182 QHCZEWILCPAZKC-WAYWQWQTSA-N 315.394 4.907 30 20 DJED C=CCC[C@H](NC(=O)c1cccc2oc(C)nc12)c1ccccc1 348335665 BQIKKLYXJMYIRJ-KRWDZBQOSA-N 320.392 4.574 30 20 DJED C=CCCC1(C(=O)Nc2nc(-c3cc(C)oc3C)cs2)CC1 355836065 XNOZXDPEJMYGKZ-UHFFFAOYSA-N 316.426 4.705 30 20 DJED Cc1nc(C(C)C)ccc1CN(C)[C@H](C)c1cccc(C#N)c1 425536065 OCUYYLZODSYBTF-MRXNPFEDSA-N 307.441 4.578 30 20 DJED C=CCC[C@@H](NC(=O)Nc1cccc(C#N)c1C)c1ccccc1 435607230 LMTKQDRMNZVZID-LJQANCHMSA-N 319.408 4.696 30 20 DJED C[C@H](Sc1nccn1Cc1ccccc1)c1cccc(C#N)c1 442899451 FUHBZISAEJJQNO-HNNXBMFYSA-N 319.433 4.656 30 20 DJED N#CCCCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 463091665 IFMPYQROFSQWNI-UHFFFAOYSA-N 314.772 4.765 30 20 DJED N#C[C@@H]1CCC[C@@H](N[C@@H](c2ccccc2F)C2CCCC2)C1 463236965 KJRCUKKQRSARAR-IDHHARJASA-N 300.421 4.729 30 20 DJED CC#CCCCC(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 464438704 BWLZXWXKONMDQP-SFHVURJKSA-N 319.448 4.517 30 20 DJED C=C(C)C[C@H](C)C(=O)N1CCC(F)(c2cccc(Cl)c2)CC1 466870375 MGDMTWUCXALPKA-AWEZNQCLSA-N 323.839 4.730 30 20 DJED C[C@H](CCNc1ccc(C#N)cn1)c1cccc(C(F)(F)F)c1 470872606 TWCNMAXNOXOGQP-GFCCVEGCSA-N 319.330 4.578 30 20 DJED Cc1ccc(-c2ccc(C)c(NC(=O)c3cccc(C#N)c3)c2)o1 477566587 AMCVFNOKPQFSAH-UHFFFAOYSA-N 316.360 4.687 30 20 DJED C=CCN(C(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccccc1 484259479 DKMIKCKMQUKVKS-MRXNPFEDSA-N 311.450 4.695 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1ccccc1-c1cccs1 486680430 LIYXEXVWRDSWAE-AWEZNQCLSA-N 312.438 4.988 30 20 DJED C[C@@H](SCc1ccc(C(F)(F)F)cn1)c1cccc(C#N)c1 551003171 GKFCAVOPEUEXND-LLVKDONJSA-N 322.355 4.966 30 20 DJED CC(C)[C@](C)(Cc1ccc(Cl)cc1)N[C@H]1CC[C@@H](C#N)C1 583276711 OBCIKSFHFOFYAJ-NJAFHUGGSA-N 304.865 4.579 30 20 DJED N#CCCCCCC(=O)Nc1ncc(C2CCCCC2)s1 588674893 QXCMRMFCKVATHY-UHFFFAOYSA-N 305.447 4.603 30 20 DJED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(C2CC2)c1 590254342 BPQLRKDLAYTTLJ-QKKBWIMNSA-N 302.421 4.774 30 20 DJED Cc1cccc2sc(C(=O)NCC(C)(C)CC#N)c(Cl)c12 590915924 CIMDSBSLLZWGBF-UHFFFAOYSA-N 320.845 4.533 30 20 DJED C=CCCCCCN(C)C(=O)c1cc2cc(Cl)ccc2[nH]1 606881545 ROTXTHXHSOHGLT-UHFFFAOYSA-N 304.821 4.640 30 20 DJED C=CCCC(=O)Nc1cc(Cl)ccc1SCC(F)(F)F 607097982 OWSMNQKBYJUDOL-UHFFFAOYSA-N 323.767 4.899 30 20 DJED C[C@H](NCc1cc(F)cc(C(F)(F)F)c1)c1cccc(C#N)c1 610947067 CRJMCYWBPAJPBS-NSHDSACASA-N 322.305 4.567 30 20 DJED Cc1cccc2nc(N[C@H]3CCc4cc(C#N)ccc43)sc12 619498520 UGWQMSFIDVEDIJ-HNNXBMFYSA-N 305.406 4.576 30 20 DJED C=CCC1(C(=O)N2C[C@H](C(F)(F)F)CC[C@@H]2C)CCCCC1 660109092 YGAVBWZQEROWKK-UONOGXRCSA-N 317.395 4.702 30 20 DJED Cc1nc(C)c(C=NN=C2c3ccccc3-c3ccccc32)s1 736430166 PRXZMDTVZNFVEU-UHFFFAOYSA-N 317.417 4.612 30 20 DJED Cc1nc(Cl)cc(NN=C2CCCC[C@H]2c2ccccc2)n1 741765346 DGZDFHYYMVTUTH-AWEZNQCLSA-N 314.820 4.564 30 20 DJED CC/C(=C/C(=O)N[C@H](C)c1cccc(C#N)c1)c1ccc(C)cc1 743775272 KKORHRSXAIONBA-OKSBFYSISA-N 318.420 4.538 30 20 DJED C=CCN(Cc1ccc(OC)c(SC(F)(F)F)c1)C(C)C 743841737 UJXMPTSFJVLUBR-UHFFFAOYSA-N 319.392 4.704 30 20 DJED COCCOc1ccc(C(=O)/C=C/C(C)=C/c2ccccc2)cc1 750913157 KTRXYSUQJLADOB-NZOAFPJWSA-N 322.404 4.554 30 20 DJED CCC(=NNc1cc(Cl)ccc1Cl)C1CCOCC1 751895513 NCEQGBUNMIFXMU-UHFFFAOYSA-N 301.217 4.598 30 20 DJED COc1cc(Cl)c(C=NN[C@H](C)c2ccccc2)cc1Cl 753924821 WGGWWYVUNKVWOE-LLVKDONJSA-N 323.223 4.687 30 20 DJED CC(=NNc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 767335268 BAOJBPSMANEVTC-UHFFFAOYSA-N 304.180 4.701 30 20 DJED CC[C@@H](Nc1ccc(Cl)cc1OC)c1ccc(C#N)cc1 774354530 BSZBPAROSMAWRF-OAHLLOKOSA-N 300.789 4.783 30 20 DJED COc1cc(NN=C(C)[C@@H](OC)c2ccccc2)ccc1Cl 788471954 LMXWHGCMZYMRMP-QGZVFWFLSA-N 318.804 4.524 30 20 DJED COc1ccc(C(=O)/C=C\c2ccnn2C(C)C)c2ccccc12 794939156 PEBMRFCWIXVFQF-NTMALXAHSA-N 320.392 4.522 30 20 DJED Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccc(Cl)cc1Cl 798369650 MRZROTVBUOPBQV-QPJJXVBHSA-N 323.223 4.975 30 20 DJED Cc1nnc(SCC2(C#N)CCCC2)n1[C@H]1CCC[C@@H](C)C1 806592102 NEVAWGMNGWPUPQ-HIFRSBDPSA-N 318.490 4.514 30 20 DJED CCCn1nccc1/C=C\C(=O)c1ccc(SC)cc1Cl 853007324 UFWFDCWFHGTVNO-DAXSKMNVSA-N 320.845 4.565 30 20 DJED CCCCCCCCC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1 855952141 RWXVFRWJOJHKJO-MSOLQXFVSA-N 309.494 4.545 30 20 DJED C=CCCCCC[C@H](C)N[C@@H](C(=O)O)c1cccc(C)c1C 901854189 OFERMMQMCQUCHW-MAUKXSAKSA-N 303.446 4.544 30 20 DJED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 915085341 ARHOGSFJAKDLSA-HXUWFJFHSA-N 312.372 4.594 30 20 DJED COc1c(Cl)cc(Cl)cc1C=NN[C@@H](C)c1ccccc1 921260145 SNFFNXVNAQAYFK-NSHDSACASA-N 323.223 4.687 30 20 DJED CC(C)(CNc1c(Br)cccc1C#N)C1CCC1 1186471047 XPOUDQFFGKTLFG-UHFFFAOYSA-N 307.235 4.559 30 20 DJED Cc1cccc(C(C)C)c1NC(=O)[C@@H](C#N)CCc1ccccc1 1294266440 WKNBWRFWMYKYOP-GOSISDBHSA-N 320.436 4.830 30 20 DJED CCN(Cc1ccc(F)cc1C#N)c1ccc2ccccc2c1 1307539552 OLQDHLQCGRBZFY-UHFFFAOYSA-N 304.368 4.877 30 20 DJED CCOc1c(Cl)cccc1NCc1ccc(C#N)c(C)c1 1308322011 UDWLSSDORKNPDZ-UHFFFAOYSA-N 300.789 4.531 30 20 DJED CN(C(=O)C[C@H]1CCCCC1(C)C)c1ccc(C#N)c(Cl)c1 1462058380 KDBONGIWCNCJEQ-CQSZACIVSA-N 318.848 4.781 30 20 DJED Cc1ccccc1C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@@H](C)CC2 1527165330 SUEKYLMOMZBNQP-WCQYABFASA-N 324.449 4.866 30 20 DJED CCCCN1CCc2ccc(NCc3ccc(C#N)c(C)c3)cc21 1560384603 KHUDTNGIKRKLDM-UHFFFAOYSA-N 319.452 4.641 30 20 DJED CC(C)[C@@H](c1ccccc1)N(C(=O)c1ccc(C#N)cc1)C(C)C 1617952692 DBDNOFANQKCGJO-FQEVSTJZSA-N 320.436 4.806 30 20 DJED C[C@H]1CC(C)(C)c2cccc(NC(=O)c3ccc(F)c(C#N)c3)c21 1626491375 NVHDNCKFJVBHLQ-LBPRGKRZSA-N 322.383 4.734 30 20 DJED C[C@H](Nc1nc(C#N)c(Cl)s1)c1ccc2c(c1)CCCC2 1639755481 ZDMWFUVYRASVLS-JTQLQIEISA-N 317.845 4.720 30 20 DJED Cc1cc(C#N)ccc1CN1CC2(CCCC2)c2c(F)cccc21 1644921741 ABUVIRMEFPNYGA-UHFFFAOYSA-N 320.411 4.838 30 20 DJED C[C@@H](Nc1ncccc1C#N)[C@H](C)c1ccccc1C(F)(F)F 1651654666 LIIBWQSMZKFVJV-NWDGAFQWSA-N 319.330 4.576 30 20 DJED N#Cc1ccc(CSCC2CCCC2)c(Br)c1 1656940985 PBZIVTFVWCLKBI-UHFFFAOYSA-N 310.260 4.744 30 20 DJED CC[C@H](C)c1ccc(/C=C/C(=O)c2ccc(CC(=O)O)cc2)cc1 1776698203 HXLVYSFAXVXUDH-NRUITVPNSA-N 322.404 4.723 30 20 DJED N#Cc1ccc(CNCc2cccc(Oc3ccccc3)c2)cc1 47798229 IGBUNRPZPJMAAR-UHFFFAOYSA-N 314.388 4.640 30 20 DJED C=C(C)CN(CC)C(=O)Cc1coc2ccc3ccccc3c12 60624971 ZMUADJRYPCVVQN-UHFFFAOYSA-N 307.393 4.553 30 20 DJED CCN(CCCCC#N)[C@H](c1ccccc1)c1ccc(F)cc1 106870902 IQIGLOYKSUBODY-HXUWFJFHSA-N 310.416 4.931 30 20 DJED C=CC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1 110365371 INBVNWDIKMZMNZ-UONOGXRCSA-N 324.251 4.522 30 20 DJED CCc1ccc([C@H](C)C(=O)N[C@H](CCC#N)c2ccccc2)cc1 153254393 BWSJXPYXKNIJOT-OXJNMPFZSA-N 320.436 4.514 30 20 DJED C[C@H](N[C@@H](C)c1c(F)cccc1Cl)c1ccc(C#N)cc1 175026231 UKPKMSAFAFOSHK-RYUDHWBXSA-N 302.780 4.763 30 20 DJED O=C(/C=C\c1ccccc1OCc1ccccn1)c1ccsc1 255065470 WWIWZETUXWIASL-HJWRWDBZSA-N 321.401 4.618 30 20 DJED CCc1cccc(CC)c1NC(=O)c1ccc(C(C)(C)C#N)cc1 279831885 GWLSADCKSRKUFH-UHFFFAOYSA-N 320.436 4.865 30 20 DJED C[C@@H](Sc1ccc(C#N)nn1)c1ccc(Cl)c(Cl)c1 301893973 AVPPCAOMXALKGF-MRVPVSSYSA-N 310.209 4.508 30 20 DJED C=C(C)[C@H](Nc1nc(C(C)C)ns1)c1ccc(F)c(F)c1 302374789 GZYFEKXHQYCXOB-ZDUSSCGKSA-N 309.385 4.669 30 20 DJED CCCOc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 319880992 UQONBWMYGQXBOR-HZPDHXFCSA-N 308.425 4.759 30 20 DJED C[C@H]1C[C@@H](C(O)=Nc2ccc(-c3cncnc3)cn2)CC(C)(C)C1 328837670 TVWYYPRGGVTBLR-DZGCQCFKSA-N 324.428 4.589 30 20 DJED CC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(C)cc1 341759118 DMTCTBIONMIAKK-SFTDATJTSA-N 304.437 4.985 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)C(C)(C)C1CCC1 410458474 OSAFXGCBARHTGH-CYBMUJFWSA-N 316.470 4.703 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cc(F)cc(Cl)c1 418137634 BYNLTBREHIEXSU-SFHVURJKSA-N 314.791 4.518 30 20 DJED Cc1c(C#N)cccc1NC(=O)N(CCC(C)C)C1CCCC1 431954012 WJKXNJDICFIXQP-UHFFFAOYSA-N 313.445 4.689 30 20 DJED C=CCC[C@H](NC1CCN([C@@H](C)c2ccccc2)CC1)C1CC1 438984872 MCSRHZKBZUVMMP-UWJYYQICSA-N 312.501 4.546 30 20 DJED C=CC[C@H](C(=O)N(C)c1ccc(Cl)cc1F)c1ccccc1 439180905 CQMUOOYVDRUJIZ-HNNXBMFYSA-N 317.791 4.802 30 20 DJED N#C[C@@H]1CC[C@@H](Nc2cc(Cl)ccc2OCC2CCC2)C1 442869563 BWNKIIYHHKMYFS-UKRRQHHQSA-N 304.821 4.623 30 20 DJED CC[C@@H](NCc1c(F)cccc1Cl)c1ccc(C#N)cc1 447544542 VZLZTHYCWCRJRH-QGZVFWFLSA-N 302.780 4.592 30 20 DJED CC(C)[C@H](c1ccccc1)N(C)C(=O)Nc1cccc(CC#N)c1 455915324 HIMPZBRVWLYCBY-LJQANCHMSA-N 321.424 4.614 30 20 DJED N#Cc1ccc(SCc2cc(C#N)ccc2F)c(Cl)c1 465388464 NNHKHPGZEATFRR-UHFFFAOYSA-N 302.761 4.515 30 20 DJED CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc2sccc2c1 471207884 PEIDAXBBJCVNNZ-UHFFFAOYSA-N 323.421 4.582 30 20 DJED C=CCC[C@@H](C(=O)N[C@@H](C)Cc1cccs1)c1ccccc1 488319086 KTDSQWOKORJEFL-MAUKXSAKSA-N 313.466 4.545 30 20 DJED Cc1cc(CSc2ccc(C#N)cc2F)c2ccccc2n1 525629805 POEMEOQRFGCEQL-UHFFFAOYSA-N 308.381 4.846 30 20 DJED CCC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(OC)cc1 531951129 AKORUZJWAQFLBJ-MGPUTAFESA-N 308.425 4.759 30 20 DJED CCC[C@H](C)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542932256 QZVRELMJQLXEAL-JKSUJKDBSA-N 320.436 4.839 30 20 DJED C[C@@H]1Cc2ccc(F)cc2[C@H]1N[C@@H]1CCCc2cc(C#N)ccc21 553002660 CHFSBRMQHIRWOE-PZVFOTJXSA-N 320.411 4.598 30 20 DJED CC(C)(CCC#N)CNC(=O)CCCc1ccc2ccccc2c1 554078521 KCNWDZYOIAYDFG-UHFFFAOYSA-N 322.452 4.609 30 20 DJED Cc1cc(CN[C@H](C)c2ccccc2OC(C)C)ccc1C#N 562331105 USEMFTZQCFMUGS-MRXNPFEDSA-N 308.425 4.505 30 20 DJED Cc1ccccc1[C@@H](NC(=O)CCCCCC#N)C(C)(C)C 588640316 LZSYKKHQQBTXEU-GOSISDBHSA-N 300.446 4.673 30 20 DJED N#Cc1cc(F)cc(NCc2cc(Cl)cc3cccnc23)c1 600858333 OEJCJTKRWSOSCG-UHFFFAOYSA-N 311.747 4.511 30 20 DJED C[C@@H](NCCc1c[nH]c2cc(Cl)ccc12)c1cccc(C#N)c1 611438237 PLTZOEFJTLPNCV-CYBMUJFWSA-N 323.827 4.586 30 20 DJED O=C1/C(=C/c2cc(F)c(F)c(F)c2)Cc2c(Cl)cccc21 727973912 BWZMGJLCGQZDIC-RUDMXATFSA-N 308.686 4.580 30 20 DJED N#Cc1cccc(/C=C2/CSc3c(Cl)cccc3C2=O)c1 731938664 GNXLQWWMXQRNPR-JYRVWZFOSA-N 311.793 4.584 30 20 DJED Fc1ccccc1NN=Cc1c(Cl)cccc1OC(F)F 732923465 BQSSVAJNMNMHBG-UHFFFAOYSA-N 314.694 4.527 30 20 DJED Cc1ccccc1C(=O)/C=C\c1ccc(OCC(F)F)cc1 741852138 KRLZFZLYKRDYTD-FLIBITNWSA-N 302.320 4.535 30 20 DJED C#Cc1cccc(NC(=O)N2CCC[C@H]2c2cccc(C)c2C)c1 743083696 BBWWJFGIQXXLNY-FQEVSTJZSA-N 318.420 4.654 30 20 DJED COc1ccc(OC)c(/C=C/C(=O)c2oc3ccccc3c2C)c1 747141362 XFFMDPHCRMCOHL-CSKARUKUSA-N 322.360 4.655 30 20 DJED CCc1ccc(C(=O)/C=C/c2csc(-c3cccs3)n2)o1 752238186 PFZXFYWLZFKWQH-FNORWQNLSA-N 315.419 4.923 30 20 DJED CC[C@@H](C)c1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1 756233364 BQFWQEJMQAWAPL-CZUORRHYSA-N 318.376 4.831 30 20 DJED CC[C@H](N[C@H](CC)c1ccccc1OC)c1ccc(C#N)cc1 774124272 VEUZSHPXKNBISO-RBUKOAKNSA-N 308.425 4.759 30 20 DJED C#Cc1cccc(NC(=S)Nc2cccc(SC)c2C)c1 774576654 MPSMINZMUNXIEE-UHFFFAOYSA-N 312.463 4.507 30 20 DJED CCc1oc2ccccc2c1C=NOCc1ncc(Cl)s1 774722277 MYKKUQFPTDHMLO-UHFFFAOYSA-N 320.801 4.656 30 20 DJED C[C@@H](NC[C@@H]1CCC=CO1)c1ccc(-c2cccc(C#N)c2)cc1 775055289 SKJYKWNQHHKPFJ-IERDGZPVSA-N 318.420 4.569 30 20 DJED O=C(/C=C/c1ccc(-c2cccc(F)c2)s1)c1ccncc1 776188489 TXXLVGWSKWEGNF-GQCTYLIASA-N 309.365 4.845 30 20 DJED CC(C)(C#N)CCN1CCC(c2nc(C(C)(C)C)cs2)CC1 776581012 BXLNUBSUSWNSSL-UHFFFAOYSA-N 319.518 4.560 30 20 DJED CC(C)Oc1ccc(NCc2ccc(C#N)s2)c(Cl)c1 780583694 UWUXPZKHAANZAH-UHFFFAOYSA-N 306.818 4.672 30 20 DJED N#C[C@@H]1CC[C@@H](Sc2nc(-c3ccc(F)cc3)cs2)C1 788096733 GRQMFQIXGJOHTF-ZWNOBZJWSA-N 304.415 4.734 30 20 DJED c1ccc2c(c1)SCCC2=NNc1nccc2sccc12 915979571 JTUHFHDRZCMYSP-UHFFFAOYSA-N 311.435 4.608 30 20 DJED CCC(C#N)(CC)C(=O)NCc1cccc(-c2ccc(C)cc2)c1 1127227045 NQSHAFKTQUMZAC-UHFFFAOYSA-N 320.436 4.608 30 20 DJED Cc1cc(NC[C@@H](C)c2c(Cl)cccc2Cl)ncc1C#N 1162356130 RIVRMHBKQIRYNK-LLVKDONJSA-N 320.223 4.784 30 20 DJED Cc1cccc(CN(CCC#N)CC(C)(C)C)c1Br 1167457702 IWGWTRPGYYMLPL-UHFFFAOYSA-N 323.278 4.519 30 20 DJED Cc1cc(C)c(C#N)c(S[C@H]2CCCc3ccc(F)cc32)n1 1188083375 FZYBHUWJSXFQLX-KRWDZBQOSA-N 312.413 4.879 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@H]1c1ccccc1Cl 1233083116 VBOUNODZPJJWME-IBGZPJMESA-N 310.828 4.857 30 20 DJED Cc1nsc(N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)c1C#N 1307138929 CFEGVDOHTSLDMW-GXTWGEPZSA-N 317.845 4.725 30 20 DJED N#Cc1cnc(NCc2cc(Cl)cc(Cl)c2)c(Cl)c1 1307163523 FQJCMZLXEIRQDL-UHFFFAOYSA-N 312.587 4.526 30 20 DJED Cc1cc(C#N)ccc1CN1C[C@H](C)C[C@H]1c1ccccc1F 1307503872 LROILPPBAZEGES-VLIAUNLRSA-N 308.400 4.589 30 20 DJED N#CC1(c2cccc(-c3ccsc3Cl)c2)CCOCC1 1329579932 RSQRAJVCUMDVTL-UHFFFAOYSA-N 303.814 4.640 30 20 DJED CC[C@H](C)c1ccc([C@H](NC(=O)CC(C)(C)C#N)C(C)C)cc1 1348940588 UVKLJPYVMQMDFG-HNAYVOBHSA-N 314.473 4.953 30 20 DJED N#Cc1cccnc1N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 1472809235 MVRXFELVEKTDPZ-RHSMWYFYSA-N 311.816 4.745 30 20 DJED CCC(C)(C)CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1515852372 PFDBBSOOVXBCTR-UHFFFAOYSA-N 322.408 4.517 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)CC(C1CCC1)C1CCC1 1539222769 PTMLRKDVNMEGDT-UHFFFAOYSA-N 304.478 4.524 30 20 DJED CC[C@H](CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccccc1 1560647538 ZIAQMHGQGYLNAB-BVYCBKJFSA-N 318.464 4.952 30 20 DJED C[C@@H](CCc1c[nH]c2ccccc12)Nc1cccc(OCC#N)c1 1560744610 PNSHZPMUKJRQJH-HNNXBMFYSA-N 319.408 4.503 30 20 DJED CCC(C)(C)C1CCC(CC(=O)Nc2cccc(C#N)n2)CC1 1584681548 MAFLXLYMLMIYQX-UHFFFAOYSA-N 313.445 4.524 30 20 DJED Cc1nc(C#N)cc(S[C@@H](C)c2cccc(C(F)(F)F)c2)n1 1612651159 SKVNXKWOWNAVEU-VIFPVBQESA-N 323.343 4.529 30 20 DJED CC(C)(CNc1ccc(Cl)c(C#N)n1)c1cccc(Cl)c1 1642157593 ZUGKZTLXRZVNOG-UHFFFAOYSA-N 320.223 4.650 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H]2CC[C@@H](C)C2)n1 1643600776 ZLAGCGIAPHGDCY-PSASIEDQSA-N 300.349 4.561 30 20 DJED CSc1ccc(CSCc2ccc(F)c(C#N)c2)cc1 1643899361 YEIMVBIXYYPBBP-UHFFFAOYSA-N 303.427 4.853 30 20 DJED CCC[C@@H]1CCCC[C@@H]1CNc1nc(C)c(C#N)cc1Cl 1651945542 FJMBBYBVVJVJRX-ZIAGYGMSSA-N 305.853 4.934 30 20 DJED Cc1ccc2sc(SCc3ccc(CC#N)cc3)nc2c1 1653089844 OCYZZFNSLQGQQN-UHFFFAOYSA-N 310.447 4.963 30 20 DJED C=C(Br)CN1C[C@H](C(C)(C)C)Cc2ccccc21 1655320407 NXTUPAZKXRJPFD-CQSZACIVSA-N 308.263 4.620 30 20 DJED CCCC1C/C(=C/c2cccnc2)C(=O)/C(=C/c2cccnc2)C1 57825505 YKKRRNHLJNCTPE-ZEDXCMECSA-N 318.420 4.723 30 20 DJED COc1ccc(OC(C)C)c(N[C@@H](C)c2ccc(C#N)cc2)c1 118443335 SAVKGBZVKGNALZ-AWEZNQCLSA-N 310.397 4.527 30 20 DJED C[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)c1ccc(C#N)cc1 161988385 HBAJIDKJDOAQBJ-LLVKDONJSA-N 322.305 4.567 30 20 DJED N#CCC[C@@H](Nc1cc(C(F)(F)F)ccn1)c1ccccc1 164331223 BVJSQLACJONVQP-CQSZACIVSA-N 305.303 4.557 30 20 DJED C[C@H](C#N)Oc1ccccc1NCCCCCOc1ccccc1 188343424 VQVZFHROEXYDGX-QGZVFWFLSA-N 324.424 4.639 30 20 DJED O=C(/C=C/c1cccc(OCc2ccccc2)c1)c1ccncc1 216148872 GLJQNUGXLFBBSZ-MDZDMXLPSA-N 315.372 4.557 30 20 DJED C=CCCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N 217234186 BAHBIIWUCRKUEL-UHFFFAOYSA-N 324.811 4.711 30 20 DJED CCOc1ccc(C(=O)/C=C/c2cnc(C(C)(C)C)s2)cc1 303800314 SIUBEHYMQAYJCH-ZHACJKMWSA-N 315.438 4.735 30 20 DJED Cc1nc(C)c(C(O)=Nc2ncc(C3CCCCC3)s2)s1 329457055 NQEGJYKMRHQPDT-UHFFFAOYSA-N 321.471 4.900 30 20 DJED CCC[C@H](CC1CCCCC1)/C(O)=N/[C@H]1CCc2c[nH]nc2C1 329860467 PLLHQXOQFVDZNH-WBVHZDCISA-N 317.477 4.610 30 20 DJED Cc1c(CN[C@H]2CCc3ccc(C#N)cc32)oc2ccc(F)cc12 353261401 GNFCCHIVQBYTJD-SFHVURJKSA-N 320.367 4.529 30 20 DJED CC(C)(C#N)CCCN1CC[C@@H](Sc2cccc(Cl)c2)C1 429120195 DGJUZWLAWSKACN-MRXNPFEDSA-N 322.905 4.836 30 20 DJED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(-c2ccccc2)o1 436291932 QZWOHKZNHRPUGY-SYNHAJSKSA-N 311.425 4.578 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2cccc(F)c2C)CCCC1(C)C 444929669 ZQPHCUYRDQDDMT-INIZCTEOSA-N 304.409 4.733 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)c2cccc3ccsc23)cc1 464555704 OVCDDZMAMHPOSW-UHFFFAOYSA-N 320.417 4.955 30 20 DJED C=CCCCCCN(C)C(=O)C[C@@H](C)c1c[nH]c2ccccc12 469473144 VXVYTXBWXCYSJI-MRXNPFEDSA-N 312.457 4.866 30 20 DJED C=CCCCC(=O)N(Cc1ccco1)c1ccc(Cl)cc1 480888479 YFNDBXVMTDKKTE-UHFFFAOYSA-N 303.789 4.823 30 20 DJED C=CCCC[C@H](C)NC(=O)N1CC(C)(C)[C@H]1c1cccs1 501550171 DMDUPZRBYNEJPV-DZGCQCFKSA-N 306.475 4.585 30 20 DJED C[C@@H](CCc1ccc(F)cc1F)N[C@H](C)c1ccc(C#N)cc1 513648275 QJKIESAIHJVRLY-UONOGXRCSA-N 314.379 4.508 30 20 DJED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)Cc1ccccc1C#N 519908465 ZMLHXWIFSRPMSY-CYBMUJFWSA-N 318.342 4.770 30 20 DJED N#Cc1ccc(/C=C/c2ccc(-c3c(F)cccc3F)o2)nc1 522326443 XWPUJWJKCOETPB-VOTSOKGWSA-N 308.287 4.662 30 20 DJED C=CCC(C)(C)CN[C@H](c1cccnc1)c1ccc(F)cc1F 550857018 MFCNAQOSICFWPJ-GOSISDBHSA-N 316.395 4.641 30 20 DJED C/C(=C\c1ccccc1C(F)(F)F)CN(C)CC(C)(C)C#N 552086115 YEUAUMFMBCBUEY-UKTHLTGXSA-N 310.363 4.590 30 20 DJED C=CC[C@@H](C(=O)N(C)Cc1cccc(C)c1C)c1ccccc1 552653071 KLVHWSBAGJGRFK-HXUWFJFHSA-N 307.437 4.622 30 20 DJED COc1ccc2oc([C@@H](C)NCC(C)(C)CCC#N)c(C)c2c1 554066995 HQTLLTAIOPSCOH-CQSZACIVSA-N 314.429 4.730 30 20 DJED CC(C)(CCC#N)CN[C@H](c1ccccc1F)C1CCCC1 554366400 MXPGVHWPYXNBLM-SFHVURJKSA-N 302.437 4.977 30 20 DJED CC(C)c1ccc(/C=C\CC(=O)Nc2ccccc2CC#N)cc1 554750247 CFVODKYUMZWYQT-WAYWQWQTSA-N 318.420 4.918 30 20 DJED C=CCN(Cc1ccc(Cl)cn1)Cc1ccc(Cl)s1 558408801 UOSITIJVVQFFLH-UHFFFAOYSA-N 313.253 4.638 30 20 DJED CC(C)Oc1ccc(CN2CCC(CCC#N)CC2)cc1Cl 566913126 OIHUGXZVOLXFMM-UHFFFAOYSA-N 320.864 4.643 30 20 DJED Cc1ccccc1C(N[C@H]1CC[C@@H](C#N)C1)c1ccccc1C 572019275 SFBMWNZWAQDNLN-MSOLQXFVSA-N 304.437 4.675 30 20 DJED CC(C)Oc1ccccc1[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 583351947 YTONNMRNZRBSFS-MGPUTAFESA-N 320.436 4.684 30 20 DJED Cc1ccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1Cl 590880738 OYCRGZPIGUYRLQ-OAHLLOKOSA-N 320.779 4.687 30 20 DJED CC[C@@H](C)[C@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1 604419121 LHPRLZKWRRJAOT-SJORKVTESA-N 322.452 4.661 30 20 DJED C[C@H](c1ccccc1)c1ccc(Oc2ccc(C#N)cn2)cc1 609143947 RJTVRAKHEMFHSR-OAHLLOKOSA-N 300.361 4.897 30 20 DJED C=CCCOCC(=O)N[C@H](CCC(C)C)c1ccc(Cl)cc1 620198165 ZGLTWPJXWKBHIS-QGZVFWFLSA-N 323.864 4.526 30 20 DJED C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H]1c1ccccc1C 685546037 IRFXZKJEEIHTMD-MAUKXSAKSA-N 324.472 4.628 30 20 DJED C=CC[C@H](NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1)c1ccncc1 734459715 JYIWGBRBXGKFMS-NUJGCVRESA-N 314.473 4.668 30 20 DJED Cc1ccc(NC(=S)N[C@H](CCC#N)c2ccccc2)cc1C 747711277 ZVNWCTQZGXJXSP-GOSISDBHSA-N 323.465 4.635 30 20 DJED C#Cc1cccc(N(Cc2cccs2)C(=O)CCCC=C)c1 748540638 WHFMQNCXWSQSMH-UHFFFAOYSA-N 309.434 4.619 30 20 DJED COc1cc(C)c(C(=O)/C=C/c2cscc2Cl)cc1OC 771860294 QKZVJUNTYPTBGT-SNAWJCMRSA-N 322.813 4.623 30 20 DJED C=CCCOCCCCC(=O)N(C)c1ccc(C(C)(C)C)cc1 775669107 SAKAHKSEJCHXGW-UHFFFAOYSA-N 317.473 4.710 30 20 DJED C=CC[C@H](C(=O)OCc1cnc2ccccc2c1)c1ccccc1 778637096 WGCIQROVMALTBZ-IBGZPJMESA-N 317.388 4.638 30 20 DJED CCCCN(Cc1ccccc1O)[C@@H](C)c1ccc(C#N)cc1 778995899 FQJYBLRVZOARIS-INIZCTEOSA-N 308.425 4.627 30 20 DJED C=CCCCCCCCCNC(=O)N1CCC(C(F)F)CC1 807591357 CPXFMROBLCOKHR-UHFFFAOYSA-N 316.436 4.590 30 20 DJED C#Cc1ccc(CN[C@@H](C)c2ccc(-c3ccncc3)cc2)cc1 809625570 KUONYEFJFPGADY-KRWDZBQOSA-N 312.416 4.581 30 20 DJED C=CCC(F)(F)C(=O)N1CCC[C@H]1c1cccc2ccccc12 815101233 QZXRZURSCSWCLL-KRWDZBQOSA-N 315.363 4.715 30 20 DJED C=CCC(F)(F)C(=O)Nc1ccccc1COC(C)(C)CC 816094068 JKAHNUKUFJLSNF-UHFFFAOYSA-N 311.372 4.542 30 20 DJED CCCCCCCC(=O)Nc1cccc(-c2ncco2)c1C 816719602 FXRWFFGGCRRJAI-UHFFFAOYSA-N 300.402 4.949 30 20 DJED CC(=NNc1ccccc1)c1ccc(N2CCCCC2)c(F)c1 916247230 JXYZUPIKUBSPPL-UHFFFAOYSA-N 311.404 4.652 30 20 DJED O=C1/C(=C/c2ccc(N3CCCCC3)cc2)Cc2c(F)cccc21 921263367 BYWXRUCMDZZRJF-DTQAZKPQSA-N 321.395 4.638 30 20 DJED N#Cc1ccc(C2=CCN(CCCCC3(C#N)CCC3)CC2)cc1 930159123 SHBVVRMMLCUWOP-UHFFFAOYSA-N 319.452 4.512 30 20 DJED CCN(C(=O)c1cccc(C2CC2)c1)[C@H](C)c1ccc(C#N)cc1 1125145790 JETRQXOYADXWLJ-OAHLLOKOSA-N 318.420 4.659 30 20 DJED CN(Cc1ccc(C#N)c(F)c1)Cc1ccc(Cl)c(Cl)c1 1139527010 SLKJOYKWOBUAMH-UHFFFAOYSA-N 323.198 4.636 30 20 DJED N#Cc1ccc(N[C@H]2C[C@@H]2C2CCCCC2)cc1Br 1185555521 UCTRMODWDKQIFC-ZBFHGGJFSA-N 319.246 4.701 30 20 DJED Cc1c([C@H](C)OC(=O)[C@]2(C#N)CC23CCCC3)oc2ccccc12 1269119552 XKEVXZGTYWSDSW-VBKZILBWSA-N 323.392 4.820 30 20 DJED CCc1c(C(=O)O[C@H](C)c2ccc(C#N)cc2)oc2ccccc12 1354917247 CSZBIAYTFIRAHQ-CYBMUJFWSA-N 319.360 4.785 30 20 DJED N#Cc1ccc(C(=O)N[C@H](CC2CCCCC2)c2ccccc2)o1 1357590566 BEAAQJHODWZWAJ-GOSISDBHSA-N 322.408 4.593 30 20 DJED CC(C)c1ccc2c(c1)CN([C@H](C)c1cccc(C#N)c1)CC2 1460360701 FZVKACGUQIVFGJ-MRXNPFEDSA-N 304.437 4.801 30 20 DJED N#Cc1cc(F)cc(NCc2ccc(-c3ccccc3F)o2)c1 1461693738 UGDVCGPNNIEYNB-UHFFFAOYSA-N 310.303 4.709 30 20 DJED N#CC1(CN2CCC(Cc3cc(Cl)ccc3Cl)CC2)CC1 1473205324 IFFXDZFCUBRUEJ-UHFFFAOYSA-N 323.267 4.552 30 20 DJED N#Cc1ccc(NC(=O)N2CCCC3(CCCCC3)CC2)cc1 1475824084 PQKNBSRICWLCQR-UHFFFAOYSA-N 311.429 4.527 30 20 DJED N#Cc1ccc(F)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 1525012851 FQNHGNIHNJTJNY-UHFFFAOYSA-N 316.335 4.617 30 20 DJED Cc1cccc([C@@H](C)CNc2nc(C(C)(C)C)ccc2C#N)c1 1559113446 KQRVCOHVRBKZRH-HNNXBMFYSA-N 307.441 4.775 30 20 DJED N#CCc1ccc(CN2CCC[C@@H]2C[C@H]2C[C@H]3CC[C@H]2C3)cc1 1559517650 VWHKMSYZVAFRCQ-UWHLTILDSA-N 308.469 4.543 30 20 DJED N#Cc1cccc(OCCN2CCCCC[C@@H]2c2ccccc2)c1 1641653373 NVDCFMUNWRIJRA-OAQYLSRUSA-N 320.436 4.554 30 20 DJED C=C(Br)CN(C)c1ccccc1Oc1ccccc1 1653625377 JMOSAHMFODOXDJ-UHFFFAOYSA-N 318.214 4.824 30 20 DJED COc1ccc(CN(Cc2ccc(C#N)cc2)CC(C)C)c(C)c1 1659057465 NSOGMEQGTLNDCL-UHFFFAOYSA-N 322.452 4.534 30 20 DJED CC(C)c1cccc(C(=O)/C=C/c2ccc(/C=C\C(=O)O)cc2)c1 1776375334 GVVDSRXTHGMKPP-FAEGWCMCSA-N 320.388 4.804 30 20 DJED C=CCN(C(=O)[C@H]1CC=CCC1)c1nc(-c2ccccc2)cs1 57329422 OACFWZHSDWDKSF-INIZCTEOSA-N 324.449 4.685 30 20 DJED O=C(/C=C/c1cccc(F)c1F)c1cccc(Br)c1 78560762 HGCKUARRAITEAC-BQYQJAHWSA-N 323.136 4.623 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)CC2CCCCCC2)n1 79172704 RNPKHRWLVYUPLC-AWEZNQCLSA-N 304.459 4.803 30 20 DJED Cc1ccc(F)c(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c1 91208608 OCSMOVZJOIPXEO-UHFFFAOYSA-N 316.401 4.617 30 20 DJED C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(CCCCC#N)C1 129133378 FRWMSABKVOYSAH-CZUORRHYSA-N 310.363 4.782 30 20 DJED CC[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 160652956 GAAUVLFDVGAAJN-KRWDZBQOSA-N 302.780 4.592 30 20 DJED C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccccc1N(C)C 179818982 ANAPZSOERQFYSX-MRXNPFEDSA-N 323.440 4.608 30 20 DJED CCOc1cccc([C@H](C)NCc2ccccc2C(C)(C)C#N)c1 180713124 YKEWLEPIBICJGX-INIZCTEOSA-N 322.452 4.737 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc(F)cc1Cl)c1ccccc1 185991425 MEXOZOOBHAAKJJ-CQSZACIVSA-N 303.764 4.778 30 20 DJED C[C@H](C#N)Oc1ccc(/C=C\c2ccc3ccccc3n2)cc1 255341568 VBVQQGKZUDHQBZ-IZIDJEDMSA-N 300.361 4.696 30 20 DJED C=C(C)[C@H](N[C@@H](C)c1csc(C)n1)c1ccc(F)c(F)c1 274739114 DYPPBHOMWYTYGO-QFYYESIMSA-N 308.397 4.698 30 20 DJED C[C@H](Nc1ccc(Cl)c(C#N)n1)c1cc2ccccc2s1 301165670 HNFHYAHLJFMZCK-JTQLQIEISA-N 313.813 4.994 30 20 DJED C=CCN(CC1CCCCC1)C(=O)[C@H](C)c1cccc(F)c1 303997516 JRUHCWWXBXVUJU-OAHLLOKOSA-N 303.421 4.524 30 20 DJED CC[C@H](CC1CCCCC1)/C(O)=N/[C@H]1CCCc2c[nH]nc21 330159639 RDERKHYDVWHFPG-ZBFHGGJFSA-N 303.450 4.740 30 20 DJED C=CCC[C@H](NC(=O)N(C)[C@@H]1CC[C@H](C)C1)c1ccccc1 429002880 ZOACXMPJSJGDKO-JQHSSLGASA-N 300.446 4.524 30 20 DJED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](c1ccc(Cl)cc1)C(C)C 436318058 XABMKEMDQVIEBF-SZMVWBNQSA-N 307.865 4.608 30 20 DJED C[C@H](c1ccc2ccccc2c1)N(C(=O)CC(C)(C)C#N)C1CC1 447344582 AHRRPYLLNOYKFW-OAHLLOKOSA-N 320.436 4.832 30 20 DJED CC(C)C[C@]1(C)CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 452508112 HSAMAKOTQHUYOJ-FQEVSTJZSA-N 312.457 4.529 30 20 DJED C=CCCOCCCCC(=O)N1CC2(CCCCC2)[C@H]1C(C)C 458199419 UXNPSWNHFUQDCT-LJQANCHMSA-N 321.505 4.567 30 20 DJED N#C[C@@H]1CCC[C@@H](NCCSCc2cccc3ccccc23)C1 463290923 LUGVTNMZBMNGAQ-VQIMIIECSA-N 324.493 4.745 30 20 DJED C=CCOCCCSCc1csc(-c2ccccc2F)n1 479588676 KPXATCSNNKHHSD-UHFFFAOYSA-N 323.458 4.775 30 20 DJED N#Cc1cc(F)ccc1CSc1ccccc1Br 483125803 XSAOXLZDYYSDGW-UHFFFAOYSA-N 322.202 4.752 30 20 DJED C=CCC[C@H](C(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 487609960 UHISQPGZOVCSDF-INIZCTEOSA-N 324.449 4.925 30 20 DJED CCN(Cc1ccc(F)cc1Cl)[C@H](C)c1ccc(C#N)cc1 497620834 PWDGFLHLDDGINZ-CYBMUJFWSA-N 316.807 4.934 30 20 DJED CC(C)OC[C@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 500450446 GUUUTDVCCCSFMY-IRXDYDNUSA-N 322.452 4.689 30 20 DJED C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)c1cccc(Cl)c1 512162487 CHHZNGJGVASQKP-AWEZNQCLSA-N 319.832 4.565 30 20 DJED CC[C@H](NCc1ccccc1COC(C)C)c1ccc(C#N)cc1 519623313 MUGBUSHTSQARFP-NRFANRHFSA-N 322.452 4.724 30 20 DJED C=C[C@H](CC(=O)N1C[C@H](c2ccccc2)C[C@H]1C)c1ccccc1 533942904 BUDKHWFBVBHXDS-DBXWQHBBSA-N 319.448 4.751 30 20 DJED C[C@H](NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(C#N)c1 538393516 NCWAGHQJNZPWJZ-JGGQBBKZSA-N 310.363 4.578 30 20 DJED CC[C@H](C)n1ncc(N[C@@H](C)c2cccc(C#N)c2)c1C1CC1 539681526 OAJRHGLEADIENJ-KBPBESRZSA-N 308.429 4.776 30 20 DJED C=C[C@@](C)(CC)c1nc(Cc2c[nH]c3ccc(Cl)cc23)no1 574433692 MIRIQWSEVLWSIP-KRWDZBQOSA-N 315.804 4.649 30 20 DJED CC[C@H](CC#N)NCc1csc(-c2ccc(C(C)C)cc2)n1 579969966 VHQHCKUIRZFPGF-MRXNPFEDSA-N 313.470 4.715 30 20 DJED C[C@H](C(=O)Nc1ccccc1CC#N)c1ccc2ccccc2c1 588986981 SJNRQZRHGHUCJA-HNNXBMFYSA-N 314.388 4.648 30 20 DJED CSc1ccc(Cl)c(NC(=O)CC2(C#N)CCCCC2)c1 597921787 AXFGEILRUDHUAB-UHFFFAOYSA-N 322.861 4.865 30 20 DJED C[C@H](Nc1c2c(cc3c1CCC3)CCC2)c1cccc(C#N)c1 600854243 PIBHZVZKJBCDQG-AWEZNQCLSA-N 302.421 4.709 30 20 DJED CSc1cc(Cl)ccc1NCc1ccc(C#N)c(C)c1 600857401 MRDOZTGZEWFJIM-UHFFFAOYSA-N 302.830 4.854 30 20 DJED C=CCCc1ccccc1NC(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1 626555356 WHPVHPXFMGCGPK-KBPBESRZSA-N 322.399 4.560 30 20 DJED N#Cc1ccc(N2CCC(c3cc4ccccc4[nH]3)CC2)c(F)c1 725788797 HMQKXOZUDQFXQF-UHFFFAOYSA-N 319.383 4.563 30 20 DJED Cc1cc(C)c(C(=O)/C=C/c2ccc(O[C@@H](C)C#N)cc2)cc1C 728695806 HOBYYSOAIOAAOW-JEJOPICUSA-N 319.404 4.799 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC[C@@H]1CC1(Cl)Cl 731351987 ITFUKDGXBBHOCK-QWRGUYRKSA-N 315.269 4.687 30 20 DJED Cc1ccsc1/C=C1\CCOc2c(Cl)cccc2C1=O 733749143 ROOPSWHILYYLQM-PKNBQFBNSA-N 304.798 4.759 30 20 DJED C=C(C)CCOC(=O)c1csc(-c2ccc(Cl)s2)n1 744304179 OQPFNBSTOFLKQS-UHFFFAOYSA-N 313.831 4.648 30 20 DJED CC(=NNc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)COC2 746577190 SKBDHHOWHAOUDX-UHFFFAOYSA-N 320.314 4.572 30 20 DJED Cc1ccc(C(=O)/C=C/c2cccc(OC(F)F)c2)c(C)c1 747063132 BRACBHGBGCHURJ-VQHVLOKHSA-N 302.320 4.801 30 20 DJED CC(/C=C/C(=O)c1c(C)nn(C(C)C)c1C)=C\c1ccccc1 750910391 SKRWUQPSODWUMS-NOVYJZLUSA-N 308.425 4.923 30 20 DJED CCCCCCCCCC(=O)N1CCC(OC(C)(C)C)CC1 759284929 XXDPZCXGXUTGBM-UHFFFAOYSA-N 311.510 4.933 30 20 DJED CSc1ccc(C(=O)/C=C/c2cnc(Cl)c(C)c2)cc1F 760263257 GEOWWYJPGYYINM-HWKANZROSA-N 321.804 4.801 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccc(C(F)(F)F)s2)s1 761478831 HSXHDGZCXGWIRV-RJRFIUFISA-N 313.325 4.596 30 20 DJED C#CCCCCNC(=O)Nc1ccc(-c2ccccc2)c(C)c1 762939795 JIKWDECIHYMDNG-UHFFFAOYSA-N 306.409 4.587 30 20 DJED Clc1cc(Cl)c(NN=Cc2cncs2)c(Cl)c1 767743246 HGWYIMYAWGNBMD-UHFFFAOYSA-N 306.605 4.549 30 20 DJED CC(C)c1nccnc1NN=C1C[C@H](c2ccccc2)C1(C)C 773086330 QBGSWVOXIFZFGD-OAHLLOKOSA-N 308.429 4.582 30 20 DJED CSCc1cccc(N[C@H](C)c2ccc(C#N)c(F)c2)c1 777688038 OKUHXNFDGLFDPW-GFCCVEGCSA-N 300.402 4.733 30 20 DJED CCCCCC[C@@H](C)CC(=O)Nc1ccccc1O[C@H](C)C#N 780151169 ZNWRVTQEAMFBOV-HZPDHXFCSA-N 316.445 4.913 30 20 DJED O=C(/C=C\c1nc(Cl)cs1)c1cc2ccccc2s1 780189360 YEVNCHALZDVREK-WAYWQWQTSA-N 305.811 4.907 30 20 DJED C[C@@]1(c2ccccc2)CCC(=NNc2ncnc3sccc23)C1 780201087 HDGBJCGJCICJFR-GOSISDBHSA-N 322.437 4.601 30 20 DJED COc1ccc(-c2ccccc2)cc1/C=C/C(=O)c1cncs1 787171420 LWHLAWBHFDDCIS-VQHVLOKHSA-N 321.401 4.715 30 20 DJED CC[C@H]1CC[C@H](C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)CC1 797569369 POLBCOCKNXWNPN-IHRRRGAJSA-N 318.486 4.833 30 20 DJED CC[C@](C)(C#N)C(=O)OCc1cc(Cl)c(Cl)c(Cl)c1 802806739 ZPMMFAOZGOPAHH-CYBMUJFWSA-N 320.603 4.630 30 20 DJED C#C[C@H](NCc1cc(C)c2ncccc2c1)c1ccc(Cl)cc1 811516821 VOIJTBGBINOQGU-IBGZPJMESA-N 320.823 4.661 30 20 DJED CC[C@@H]1CCC[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 835070926 SOXPCTYQMQLORE-BMFZPTHFSA-N 324.449 4.813 30 20 DJED CCC[C@H](C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915179281 BUVRMBCDUWWDMF-KXBFYZLASA-N 306.409 4.717 30 20 DJED CCCCOc1cc(/C=C\C(=O)c2ccccc2)ccc1OC 916134305 KPCNFKOXRPNNLE-BENRWUELSA-N 310.393 4.770 30 20 DJED CCCOc1c(/C=C2\Cc3ccccc3C2=O)cccc1OCC 916137114 LMVNNXWYGQKVKV-SAPNQHFASA-N 322.404 4.697 30 20 DJED N#Cc1ccc(CN[C@H]2CCC[C@@H](c3ccccc3)C2)cc1F 1172541171 UUZVLMYEJTWRBL-MJGOQNOKSA-N 308.400 4.513 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2CCC[C@@H]2C2CCCCC2)n1 1184936975 KFQGTFIGVWFCPL-QGZVFWFLSA-N 311.473 4.800 30 20 DJED CC[C@H](C)Oc1cc(C)ccc1CNc1cccc(F)c1C#N 1185785700 VVNYWPDFSGIYKQ-AWEZNQCLSA-N 312.388 4.795 30 20 DJED N#Cc1cc(CN2CCC[C@@H]2c2cccc(Cl)c2)ccc1F 1205496778 RHDZOTYDCVHLJY-GOSISDBHSA-N 314.791 4.688 30 20 DJED C[C@@H](CC#N)N[C@H](C)c1ncc(-c2ccc(Cl)c(Cl)c2)o1 1331776656 XTTFVZMOXSIXIP-VHSXEESVSA-N 324.211 4.601 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)c2cc3c(Cl)cccc3s2)C1 1436650483 YPEPSOMHPRMRAW-MNOVXSKESA-N 319.813 4.794 30 20 DJED C[C@@H]1CC(C(=O)N(c2cccc(C#N)c2)C2CCC2)C[C@@H](C)C1 1437679089 ZUOWMKXQCCFYFX-GJZGRUSLSA-N 310.441 4.516 30 20 DJED Cc1nnc(NCc2ccc(C3CCCCC3)cc2)c(C#N)c1C 1458399615 MOOKTPWKZGCDRR-UHFFFAOYSA-N 320.440 4.625 30 20 DJED C[C@@]1(c2ccccc2)CCCN(CCc2ccc(C#N)cc2)CC1 1473465622 UDDWSMDKQQBVAO-JOCHJYFZSA-N 318.464 4.545 30 20 DJED C[C@@H](CNCc1cccc(C#N)c1)Cc1ccc(C(C)(C)C)cc1 1473926678 CTQAYJACCOSJTO-QGZVFWFLSA-N 320.480 4.824 30 20 DJED Cc1ccccc1C1(C(=O)O[C@H](C)c2cccc(C#N)c2)CCC1 1516898988 WRRFXQHVNUCOSR-MRXNPFEDSA-N 319.404 4.593 30 20 DJED CC[C@H](CN(CC)C(=O)[C@]1(C#N)CC12CCCC2)c1ccccc1 1523397982 UKZKVGXLFDTDCL-DYESRHJHSA-N 324.468 4.503 30 20 DJED CCC(CC)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)C)C2 1527279428 ZKIYZDASKWDMHU-ZDUSSCGKSA-N 318.486 4.755 30 20 DJED CC[C@@H](C)[C@H](C(=O)O[C@@H](C)c1cccc(C#N)c1)c1ccccc1 1544187389 CYFJPVZNROMABW-GUXCAODWSA-N 321.420 4.992 30 20 DJED N#Cc1cccc(C#N)c1NCC(c1ccccc1)c1ccccc1 1559051391 YCGUMAQVLLDTJC-UHFFFAOYSA-N 323.399 4.674 30 20 DJED CCOc1ccccc1[C@@H](CC)Nc1nc(C#N)c(Cl)s1 1559088995 WSGPHXBUJFZCSK-LLVKDONJSA-N 321.833 4.630 30 20 DJED CC(C)c1ccc2ncnc(Oc3ccc(C#N)cc3F)c2c1 1559137130 OYJMPRRTUQSPRJ-UHFFFAOYSA-N 307.328 4.556 30 20 DJED CC(C)CC[C@H]1CCCCN1C(=O)Nc1ccc(F)cc1C#N 1562449930 VZLXPQPQYKKCMH-MRXNPFEDSA-N 317.408 4.520 30 20 DJED C[C@H](OC(=O)c1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 1596757065 HALSXMUXXPWGCP-JTQLQIEISA-N 320.175 4.783 30 20 DJED CCC(CC)CN(CCC#N)C(=O)CCCC1CCCCC1 1616413421 FGZXCGHTHPZVIG-UHFFFAOYSA-N 306.494 4.915 30 20 DJED C[C@@H](Nc1nc(C2CCCCC2)ns1)c1cccc(C#N)c1 1640396572 OOOSUUCZKHIGAO-GFCCVEGCSA-N 312.442 4.631 30 20 DJED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNc1c(C#N)nnc2ccccc12 1642172352 DMAISGSFVFSQCE-BZUAXINKSA-N 322.456 4.622 30 20 DJED CC(C)C[C@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1 1650821570 IBMWCFALFNYRAJ-KRWDZBQOSA-N 322.452 4.661 30 20 DJED Cc1ccc(CNc2cccc(F)c2C#N)c(OC(C)(C)C)c1 1651638495 HESFGLFKEZUBGI-UHFFFAOYSA-N 312.388 4.795 30 20 DJED CCCN(Cc1ccc(C#N)cc1)[C@@H]1CCc2c(F)cccc21 1656985119 VFTYUAIADPMXNT-HXUWFJFHSA-N 308.400 4.597 30 20 DJED C[C@H]1[C@H](Cc2ccccc2)CCN1[C@H](C)c1cccc(C#N)c1 1657522897 HBISNKPOROHZIS-WWMYMODYSA-N 304.437 4.572 30 20 DJED C[C@@H](CCC#N)CN1CCC[C@H]1c1ccc(Br)cc1 1663826201 BRAOSZYETWZLOW-BBRMVZONSA-N 321.262 4.526 30 20 DJED CCCc1ccc(C[C@H](C)C=NNc2ccc(C(=O)O)cc2)cc1 1776012413 RKXWJTXSSZICSD-HNNXBMFYSA-N 324.424 4.614 30 20 DJED CCCc1ccc(/C=C/C(=O)c2cc(C(=O)O)ccc2C)s1 1776832131 GLTFZAKXZWHLHJ-MDZDMXLPSA-N 314.406 4.603 30 20 DJED CCCc1nc(CN(CC)[C@@H](C)c2ccc(C#N)cc2)cs1 54340405 NVKGTIBKRNGEFP-AWEZNQCLSA-N 313.470 4.550 30 20 DJED CC(C)n1cc(C(=O)/C=C/c2cccc(Cl)c2Cl)cn1 58465407 JGVMATBPMRHYHZ-VOTSOKGWSA-N 309.196 4.667 30 20 DJED Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1C 66157015 BWCSIDPGLNFYQX-UHFFFAOYSA-N 321.424 4.618 30 20 DJED C=CCCC(=O)N(CC)[C@@H](c1ccc(CC)cc1)c1cccnc1 112641397 GSDICMXSSJEQCL-NRFANRHFSA-N 322.452 4.548 30 20 DJED COc1ccccc1[C@@H](CC(C)C)NCc1ccc(C#N)s1 176980995 BOLARVNLJYRBDN-QGZVFWFLSA-N 314.454 4.505 30 20 DJED CC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cc(F)ccc1F 178176958 DHIWGJHGUVACRJ-KPZWWZAWSA-N 300.352 4.638 30 20 DJED C[C@@H](N[C@@H]1CC(C)(C)c2ccccc21)c1ccc(OCC#N)cc1 180538990 VATIFZMHBUZXML-FOIQADDNSA-N 320.436 4.662 30 20 DJED C=C[C@H](CC(=O)Nc1cc(C)c(O)c(C)c1C)c1ccccc1 185640906 HMIOOAJJDAOAGK-MRXNPFEDSA-N 309.409 4.616 30 20 DJED C[C@H](NCc1cc(C#N)cs1)c1cc(Cl)ccc1Cl 189472474 QZBLXTJHBKLDEQ-VIFPVBQESA-N 311.237 4.777 30 20 DJED C[C@@H](c1ccc2c(c1)CCC2)[S@@](=O)CCCCC(C)(C)C#N 417206280 JPRBQIYNSZHEMW-NYHFZMIOSA-N 317.498 4.705 30 20 DJED N#CC1(CCCSCc2sccc2Cl)CCOCC1 419584148 FALQEWQAPQAKIS-UHFFFAOYSA-N 315.891 4.735 30 20 DJED C=CCOc1ccccc1CN[C@H](C)c1ccccc1SC 442788315 IPZKICJAAXNVKA-OAHLLOKOSA-N 313.466 4.824 30 20 DJED C=CCN(C(=O)c1cc2cc(C)c(C)cc2o1)c1ccccc1 443805040 CSKAMHHPAOQMNJ-UHFFFAOYSA-N 305.377 4.882 30 20 DJED N#C[C@H]1CCC[C@H](NC2CCC(c3ccc(F)cc3)CC2)C1 446758135 GDSGPJFXGIVWEC-XOQVMUHJSA-N 300.421 4.524 30 20 DJED C=CCCN(C)C(=O)c1ccc(CSc2ccccc2)cc1 468184569 WPBLFNKJTHOIAG-UHFFFAOYSA-N 311.450 4.627 30 20 DJED CSCc1ccccc1NC(=O)c1ccc(C(C)(C)C#N)cc1 476695523 BISHGFGZGZSWIT-UHFFFAOYSA-N 324.449 4.603 30 20 DJED C=CCC(CC=C)C(=O)Nc1cnn(CCC(C)C)c1C(C)C 490185936 CAUAFSYKXXCTAM-UHFFFAOYSA-N 317.477 4.760 30 20 DJED C=CC[C@@H](C(=O)N1CC[C@H](c2ccccc2F)C1)c1ccccc1 502148736 NNNAMDHRCMYEHE-PKOBYXMFSA-N 323.411 4.502 30 20 DJED CCCCOc1ccc(OC)cc1NCCCC(C)(C)C#N 532158962 GCONIYZUGTVXEN-UHFFFAOYSA-N 304.434 4.616 30 20 DJED Cc1ccc(C)c2c(C)c(C(=O)N3CCC(CCC#N)CC3)oc12 570333750 IXJMVPURKXXHHA-UHFFFAOYSA-N 324.424 4.514 30 20 DJED CCCCN(C(=O)c1ccc(CC#N)cc1)[C@H]1CCC[C@H](C)C1 578355334 HJYMEHKCXMTRNJ-LPHOPBHVSA-N 312.457 4.574 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@@H]2Nc1cc(C2CC2)ccn1 580885453 KZIWGCDPBWWYBN-IBGZPJMESA-N 303.409 4.710 30 20 DJED N#CCCCCCC(=O)NCc1ccc(Oc2ccccc2)cc1 588155507 AEQXBPYTQOJCLP-UHFFFAOYSA-N 322.408 4.569 30 20 DJED CCc1ccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1 611093231 MTMGRQUVXYDHSF-UHFFFAOYSA-N 319.191 4.680 30 20 DJED C=CCSc1ccccc1C(=O)N[C@H]1CCc2ccc(C)cc21 681598103 GBSJELJNMVDFGW-SFHVURJKSA-N 323.461 4.690 30 20 DJED C[C@@H](CC#N)OC(=O)c1ccc(-c2ccc(Cl)cc2)s1 733709369 CZSRQGZKRKZUDI-JTQLQIEISA-N 305.786 4.527 30 20 DJED Cc1cccc2nc([C@@H](C#N)C(=O)C[C@@H](C)CC(C)(C)C)[nH]c12 735793339 SOAIKHSZONDBDK-OCCSQVGLSA-N 311.429 4.510 30 20 DJED CCN(CC)c1ccc(/C=C\C(=O)c2cccs2)cc1F 739427572 VGPURRRIVAOQCH-NTMALXAHSA-N 303.402 4.630 30 20 DJED CCCCCC(C)(C)C(=O)Nc1cccc(OCCCC#N)c1 753200507 KAEPOAUEUMXRQG-UHFFFAOYSA-N 316.445 4.914 30 20 DJED CCCCCCCCCCC(=O)N1CC[C@H](C2CCOCC2)C1 754893268 YYKXMUKDXJLNTJ-IBGZPJMESA-N 323.521 4.792 30 20 DJED C=CC[C@@H](N[C@H](C)c1ccc(OC(F)F)cc1)c1ccncc1 766021387 SPYDWTLABARDRG-CXAGYDPISA-N 318.367 4.651 30 20 DJED CC(=NNc1nc(-c2ccccc2)cs1)c1ccc(C)cc1O 767198755 YNSGMZNVRWRKHU-UHFFFAOYSA-N 323.421 4.660 30 20 DJED CC[C@@H](C)[C@H](C(=O)OCCCC(C)(C)C#N)c1ccccc1 781862764 GOGDQCWVIXZLQI-WBVHZDCISA-N 301.430 4.689 30 20 DJED C=CC[C@@H](N[C@@H]1CC(C)(C)c2cc(OC)ccc21)c1ccncc1 788989022 TWIKHDVUHFOMEN-WOJBJXKFSA-N 322.452 4.720 30 20 DJED O=C(/C=C/c1c(Cl)nc2cc(Cl)ccn12)c1ccccc1 794692146 SGAYXUFTYVIJAI-VOTSOKGWSA-N 317.175 4.537 30 20 DJED C[C@@H](C#N)OCCSCc1ccc(-c2ccsc2)cc1 802753339 YVSXMWDDEQGZQJ-ZDUSSCGKSA-N 303.452 4.577 30 20 DJED CC[C@@](C)(C#N)C(=O)O[C@H](C)c1sc2ccccc2c1C 802767900 ZZULULXLASLKIH-PXAZEXFGSA-N 301.411 4.754 30 20 DJED C=CC[C@H](NC(=O)c1ccc(C2=CCCC2)cc1)c1ccncc1 810408906 WPWYLSZDAALMGL-FQEVSTJZSA-N 318.420 4.696 30 20 DJED C=CCCCCCCCNC(=O)c1c(F)cccc1SC 811590207 SOSFCAPOOBBPBU-UHFFFAOYSA-N 309.450 4.804 30 20 DJED Cn1cc(/C=C\C(=O)c2ccc(C(C)(C)C)cc2)c(C(F)F)n1 812239684 AHAOPBYVRLNOIK-YFHOEESVSA-N 318.367 4.551 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N1CCC[C@H]1c1ncon1 848115407 YCGATTPGHSHJNS-HOTGVXAUSA-N 321.465 4.510 30 20 DJED COc1cccc(/C=C\C(=O)c2ccc(F)cc2)c1OC(C)C 916135643 BXZQEWGDVAUNLH-XFXZXTDPSA-N 314.356 4.518 30 20 DJED C=CCN(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(C)C 916704990 JTUGKJSMCIAWHN-UHFFFAOYSA-N 320.742 4.787 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)/C=C/c1ccco1 917714078 UIBWHHQOLRYHHV-CMDGGOBGSA-N 320.373 4.532 30 20 DJED CCCC[C@H]1CCC[C@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 1125839637 VKRDFNLEGSEHFQ-MAUKXSAKSA-N 312.457 4.576 30 20 DJED Cc1ccc(C#N)cc1C(=O)N1CC[C@H](CC(C)(C)C)C1(C)C 1129654908 VFVYOJZSCNTXQK-MRXNPFEDSA-N 312.457 4.544 30 20 DJED CCOc1ccccc1N(C)Cc1ccccc1C(C)(C)C#N 1192282043 GSEOQJQCDAJPBC-UHFFFAOYSA-N 308.425 4.523 30 20 DJED Cc1ccc([C@@H]2CCN([C@H](C)c3cccc(C#N)c3)C2)c(C)c1 1194073991 NWBWYQPRIUDBRJ-YLJYHZDGSA-N 304.437 4.726 30 20 DJED N#Cc1ccc(CN2CCC[C@@H]2/C=C\c2ccccc2)c(Cl)c1 1198270443 KLXMKFOJOXKRQN-ZMOVQZPESA-N 322.839 4.889 30 20 DJED Cc1ccc([C@@H](C)CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 1206328315 JNIADYXASSBOTB-HRAATJIYSA-N 304.437 4.637 30 20 DJED CCCN(Cc1ccc(C#N)cc1)[C@@H]1CCCc2ccccc21 1307415534 ZJSFBQJKNVIVTC-OAQYLSRUSA-N 304.437 4.848 30 20 DJED CCN(CC#N)[C@H](C)c1ncc(-c2ccc(Cl)c(Cl)c2)o1 1327312149 IFDSSFIHYSYJDG-SNVBAGLBSA-N 324.211 4.555 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 1354424056 RYSOCPQXVDRCJP-PMOLBWCYSA-N 324.468 4.513 30 20 DJED CC[C@@H](Cc1cccc(C)c1)C(=O)O[C@H](C)c1cccc(C#N)c1 1355926681 UKTHJKYDXUQXSE-APWZRJJASA-N 321.420 4.740 30 20 DJED C[C@]1(c2ccccc2)CC[C@H](NCc2ccc(C#N)c(Cl)c2)C1 1462145085 NYBWJJWDMDDVLQ-ICSRJNTNSA-N 324.855 4.812 30 20 DJED Cc1cc(N[C@H]2CCSc3ccc(Cl)cc32)ncc1C#N 1472676597 OCGCFXZUMIZUKI-AWEZNQCLSA-N 315.829 4.564 30 20 DJED Cc1cc(C)c(C)c(C(=O)CSc2cccc(C#N)c2)c1C 1472996923 OSQTVUNULOKTDV-UHFFFAOYSA-N 309.434 4.767 30 20 DJED C[C@@H](c1ccccc1Cl)N(Cc1ccc(C#N)s1)C1CC1 1473148684 GSTCJDDTCPCYIR-LBPRGKRZSA-N 316.857 4.999 30 20 DJED C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(CC#N)cc1 1473818536 QOXJJNDVTMBEDV-LAUBAEHRSA-N 304.437 4.521 30 20 DJED CC(C)(CNC(=O)CC1(C#N)CCCCC1)C1CCCCC1 1519715294 OACFTIDKGXZSAN-UHFFFAOYSA-N 304.478 4.573 30 20 DJED CC(C)CCC(=O)Nc1sc2c(c1C#N)[C@H](C)[C@@H](C)CC2 1524020604 IENXVZIQPHMNAZ-NWDGAFQWSA-N 304.459 4.680 30 20 DJED CCc1c(C)sc(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)c1C#N 1527988157 NCQSXSFXMSZVIV-APWZRJJASA-N 324.449 4.623 30 20 DJED C[C@H]1C[C@@H](C(=O)N(c2cccc(C#N)c2)C2CCC2)CC[C@H]1C 1532439908 PXMIWFPOCGBDFE-VYDXJSESSA-N 310.441 4.516 30 20 DJED CC(C)(C)C1CCC(CC(=O)N2CCc3ccc(C#N)cc32)CC1 1584149295 NATJOJWDLMZXNY-UHFFFAOYSA-N 324.468 4.690 30 20 DJED C[C@@H]1C[C@H](OC(=O)c2ccc(C#N)c(Cl)c2)CC(C)(C)C1 1587195954 WVLNYQRVCSNOOI-RISCZKNCSA-N 305.805 4.583 30 20 DJED CCCCN(CCOc1ccccc1C#N)[C@H](C)c1ccccc1 1615629551 GLDMRTIJYMPEJP-GOSISDBHSA-N 322.452 4.800 30 20 DJED CC(C)N(Cc1cc(Cl)ccc1OCC#N)c1ccccc1 1615910348 QRIFIQGAGPEGOX-UHFFFAOYSA-N 314.816 4.657 30 20 DJED N#CC1(C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)CCCC1 1617166051 WEOOHHDEPZNVPB-UHFFFAOYSA-N 324.355 4.640 30 20 DJED C=C(CNCc1cccc2c(OC)cccc12)c1ccccc1 1620773134 NUZMEQFDJIBIQP-UHFFFAOYSA-N 303.405 4.651 30 20 DJED COc1ccc(CNCC2CC(C)(C)CC(C)(C)C2)cc1C#N 1620998840 PUEWXYHQUSVUTR-UHFFFAOYSA-N 314.473 4.509 30 20 DJED CC(C)(C)c1ccc(C2(CNc3ncccc3C#N)CCC2)cc1 1639410395 NEQRFFHEQAJTBH-UHFFFAOYSA-N 319.452 4.785 30 20 DJED C[C@@H]1Cc2ccccc2N(Cc2ccccc2C(C)(C)C#N)C1 1641722437 UHHLSIOLNKJBHX-MRXNPFEDSA-N 304.437 4.687 30 20 DJED C[C@H](C[C@H]1CCOC1)Nc1ccc(Oc2ccccc2)c(C#N)c1 1652269158 ACVCESYPSOQMIP-HZPDHXFCSA-N 322.408 4.578 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@@H]1CNc1ccc(Cl)c(C#N)n1 1655066115 NWFUVPMHUGRJGH-CHWSQXEVSA-N 305.853 4.871 30 20 DJED CC(C)[C@H](CN[C@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 1658042653 HPYZPJYGUSUNPF-WBAXXEDZSA-N 304.865 4.752 30 20 DJED COc1ccccc1[C@@H]1CCCCN1Cc1ccc(C#N)c(C)c1 1659091710 OKPIDLPRPICBSP-FQEVSTJZSA-N 320.436 4.603 30 20 DJED N#Cc1c(F)cccc1CN[C@@H]1CCC[C@@H](c2ccccc2)C1 1659107433 XLFYNOXOVQQXLT-SJLPKXTDSA-N 308.400 4.513 30 20 DJED CCCCC1CCC(NC(=O)Nc2ccc(C#N)c(F)c2)CC1 1672587015 XOJAKBXMLVOSEL-UHFFFAOYSA-N 317.408 4.568 30 20 DJED CC(C)(C)c1ccc(/C=C\C(=O)c2cccc(C(=O)O)c2)cc1 1776272458 IJVPLISEVLWACO-XFXZXTDPSA-N 308.377 4.578 30 20 DJED C[C@@H](NCc1cccc(Cl)c1Cl)c1ccc(C#N)cc1 35256384 GGDAZAZSTXINHQ-LLVKDONJSA-N 305.208 4.716 30 20 DJED COc1cccc2cc(C(=O)/C=C/c3ccc(F)cc3F)oc12 57435406 KBUPSOKHGDHEFG-SOFGYWHQSA-N 314.287 4.616 30 20 DJED CC[C@H](NCc1cc(C#N)ccc1F)c1ccc(Cl)cc1 120270535 VDCQPSPVBPVMFF-KRWDZBQOSA-N 302.780 4.592 30 20 DJED C[C@@H](C#N)CSc1ccccc1NCc1ccccc1F 170983090 YVKYVJFOLSDWCD-ZDUSSCGKSA-N 300.402 4.690 30 20 DJED C[C@@H]1C[C@H]1[C@H](NCc1ccc(C#N)s1)c1ccc(Cl)cc1 176976758 NFCAKUBDMMUVLM-SSKCKEOISA-N 316.857 4.760 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1F)c1cc2ccccc2s1 178789832 YHUXZZXPFPIZRJ-GFCCVEGCSA-N 310.397 4.763 30 20 DJED N#CCCSc1ccccc1NCc1c(F)cccc1F 182498584 DWKPURAKTCTJBY-UHFFFAOYSA-N 304.365 4.583 30 20 DJED CCCCSc1ccc(Cl)cc1C(=O)N[C@@H](CC)CC#N 183831064 DEENNNYFDHNDFC-ZDUSSCGKSA-N 324.877 4.654 30 20 DJED C=C(C)[C@@H](N[C@@H](C)c1cnccc1C)c1ccc(F)c(F)c1 274724264 AEAJNWAVNNETPX-SCLBCKFNSA-N 302.368 4.636 30 20 DJED C=CC[C@@H](CC)NC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 346601726 JKEGBSJQHKMNIN-TZMCWYRMSA-N 324.877 4.531 30 20 DJED CC1(C)C[C@@H](Sc2ccc(C#N)c(C(F)(F)F)c2)CCO1 412996957 GJDSVJCDQKFSAV-LBPRGKRZSA-N 315.360 4.627 30 20 DJED CC(C)c1ccc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1 425122060 CQPPZYFWCIBGFS-HNNXBMFYSA-N 306.409 4.515 30 20 DJED CC(C)(CCC#N)CNc1ncnc2scc(C(C)(C)C)c12 427177962 MUKBSXOKUBADNL-UHFFFAOYSA-N 316.474 4.731 30 20 DJED Cc1ccc(C)c([C@@H](C)N(C)C(=O)Nc2cccc(C#N)c2C)c1 431708272 KHGZSBGZWXOCCB-MRXNPFEDSA-N 321.424 4.708 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc(Cl)c(OC)c1 433624465 LRVSOTMLKZBLLP-UHFFFAOYSA-N 310.825 4.559 30 20 DJED C=CCC[C@H](NC(=O)NCc1sccc1C)c1ccccc1 434963118 JXHWQMFDNMCSMM-INIZCTEOSA-N 314.454 4.563 30 20 DJED C=CCC[C@H](NCc1ccc(Oc2ccccc2)nc1)C1CC1 438982695 FVCSLCYFLBLDPM-IBGZPJMESA-N 308.425 4.708 30 20 DJED C=CC(C)(C)C(=O)Nc1ccc(N2CCCCCC2)cc1C 451685214 WTAPHEHZNJWLRG-UHFFFAOYSA-N 300.446 4.526 30 20 DJED C=CCN(C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)C1CC1 481639578 QFWVJDDNSAYWAL-UHFFFAOYSA-N 318.726 4.541 30 20 DJED CCc1cc(C#N)c(NC(=O)c2ccc(C3CCC3)cc2)s1 485582418 KYJRYLVHIZFLOG-UHFFFAOYSA-N 310.422 4.702 30 20 DJED CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 505961240 VUZMCUPOBVCZNO-FQEVSTJZSA-N 318.376 4.978 30 20 DJED CC[C@@](C)(C#N)C(=O)Nc1ccc(OCC2CCCCC2)cc1 509511285 VTSJTUDPUFRIQG-IBGZPJMESA-N 314.429 4.524 30 20 DJED CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)CC(C)(C)C#N 509985905 MNBNSBPCPROHJZ-UHFFFAOYSA-N 318.848 4.575 30 20 DJED C=CC[C@H](C)NC(=O)c1cc(C)c(-c2ccc(F)cc2)s1 522643186 IEOGJBZQTZIZCY-LBPRGKRZSA-N 303.402 4.557 30 20 DJED CC[C@H](Cc1ccc(Cl)cc1Cl)NCc1ccc(C#N)o1 537297878 GAVXUEOGSFZHCY-CYBMUJFWSA-N 323.223 4.569 30 20 DJED CC(C)[C@@H](NCCC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 538514401 BSRXMBMGUZUTSY-OAHLLOKOSA-N 312.379 4.932 30 20 DJED N#CCC[C@@H](N[C@@H]1CCc2c(Cl)cccc21)c1ccccc1 539046794 MMXTUANKDSFLRA-RTBURBONSA-N 310.828 4.962 30 20 DJED CCOc1cccc2cc([C@@H](C)Nc3nccc(C)c3C#N)oc12 543206213 JJCBKJXAXGGFAE-CYBMUJFWSA-N 321.380 4.580 30 20 DJED CC#CCCCC(=O)Nc1ccc(N2CCCCCC2)cc1C 552957584 BBTDBVCLSUMFRB-UHFFFAOYSA-N 312.457 4.508 30 20 DJED C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)o1 571018266 ODSDEQBPOPLVRL-VOBQZIQPSA-N 320.436 4.832 30 20 DJED C[C@H](NC(=O)CCCCCC#N)c1cc(Cl)ccc1Cl 588154825 UQBZYGXCIQGYLW-NSHDSACASA-N 313.228 4.645 30 20 DJED C[C@@H](c1ccc(Cl)cc1)N(C(=O)CCCCCC#N)C1CC1 588850667 FZAOINXLOPUEHR-AWEZNQCLSA-N 318.848 4.866 30 20 DJED CSCc1cccc(-c2cccc(C3(C#N)CCOCC3)c2)c1 592986052 KPNRJRUIOOICJT-UHFFFAOYSA-N 323.461 4.788 30 20 DJED CCc1cccc2cc(CN[C@@H](C)c3cccc(C#N)c3)oc12 594929997 RIGCEMOGCNTXFN-AWEZNQCLSA-N 304.393 4.718 30 20 DJED Cc1ccc(C)c(Oc2ccc(CNC[C@@H](C)CCC#N)cn2)c1 602516270 XNNZIJLTXGQMMO-INIZCTEOSA-N 323.440 4.520 30 20 DJED CC(C)(C)Oc1ccc(CNc2c(F)cc(C#N)cc2F)cc1 604532059 NNZQCHHOJHROMN-UHFFFAOYSA-N 316.351 4.626 30 20 DJED CC(C)(C)OCc1ccc(NCc2ccc(C#N)s2)cc1 610613334 QHDJPTUWEDMROI-UHFFFAOYSA-N 300.427 4.547 30 20 DJED CC(C)(CCC#N)CNCCc1ccc(-c2ccccc2)cc1 610803663 HTQTYOWOBOBKEG-UHFFFAOYSA-N 306.453 4.816 30 20 DJED C=CCC(CC=C)C(=O)N1CCc2ccc(Cl)c(Cl)c2C1 617609671 MGDXOZBPIKRHAA-UHFFFAOYSA-N 324.251 4.647 30 20 DJED CCSc1cccc(CNCc2ccc(C#N)c(Cl)c2)c1 619748798 PDIWBWGOLAMJNO-UHFFFAOYSA-N 316.857 4.613 30 20 DJED CC(=NNc1ccccn1)c1sc(-c2ccc(C)cc2)nc1C 727648991 ZXYXULFUTQODGB-UHFFFAOYSA-N 322.437 4.658 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C/c1csc(Br)c1)C2 730949655 ZHXRIOHFFPGELO-LFYBBSHMSA-N 319.223 4.641 30 20 DJED CCCCCCCC(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 732540267 CRIFFQTYWNVBGA-LBPRGKRZSA-N 321.852 4.754 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C/c3ccc(F)cc3C)c2c1 734308367 ZPPBLCMQHXWGQL-XBXARRHUSA-N 309.340 4.520 30 20 DJED CC[C@@H]1CCCC(=NNc2ncnc3c2oc2ccccc23)C1 734978489 JRAAIYPHPKJRAX-GFCCVEGCSA-N 308.385 4.744 30 20 DJED Fc1cc(NN=Cc2c(F)cccc2Cl)ccc1Cl 747635843 RGZJFSBKEHDFQR-UHFFFAOYSA-N 301.123 4.718 30 20 DJED C[C@@H](C=NNc1oc(C(C)(C)C)nc1C#N)CCc1ccccc1 749157845 KQVDOAKEXMRHGL-CQSZACIVSA-N 324.428 4.510 30 20 DJED Cc1ccc2cc(C(=O)/C=C\c3cnc(Cl)c(C)c3)oc2c1 754831195 XSGBWJLIGVZGCY-XQRVVYSFSA-N 311.768 4.994 30 20 DJED COc1ccc(NN=Cc2csc(Cl)c2Cl)cc1 761827546 GJHZHQDKNFLUDC-UHFFFAOYSA-N 301.198 4.510 30 20 DJED CC(=NNc1cc(F)c(F)cc1F)c1csc(C(C)C)n1 768778203 YBLZEAQRUMTRGO-UHFFFAOYSA-N 313.348 4.520 30 20 DJED C#CC[C@H](N[C@@H](CCC)c1ccc(OC)cc1)c1ccccc1 773113150 BUYAFWBPJLRBRX-SFTDATJTSA-N 307.437 4.891 30 20 DJED O=C1/C(=C\c2ccc(Cl)s2)CCc2ccc([N+](=O)[O-])cc21 773149261 JCTWAYCVMOFVCM-YFHOEESVSA-N 319.769 4.522 30 20 DJED Fc1cccc(Cl)c1NN=C1CCC[C@@H](C(F)(F)F)C1 783524886 UNCIPKFXZCZBGY-MRVPVSSYSA-N 308.706 5.000 30 20 DJED CCCCCCCCCCC(=O)N1CCC([C@H]2CCCO2)CC1 784617439 NFOPZYRBXNJJJB-LJQANCHMSA-N 323.521 4.935 30 20 DJED C=CCN(C(=O)Nc1ccc(-c2ccco2)cc1F)C(C)C 786494207 RLMARHSOMSEPCV-UHFFFAOYSA-N 302.349 4.514 30 20 DJED C=CCOc1cccc(/C=C/C(=O)c2ccc(C#N)cc2Cl)c1 788360733 METTXTHQBYTUHU-VQHVLOKHSA-N 323.779 4.673 30 20 DJED CC(=NOC/C=C/Cl)c1csc(-c2csc(C)n2)c1 811669545 QIULUQYWJCDTJC-IZHGCUBQSA-N 312.847 4.673 30 20 DJED CC(C)CCCCC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 838797582 NWMZPTHXMMUQKF-ZDUSSCGKSA-N 318.417 4.828 30 20 DJED N#C[C@@H](c1nc2ccccc2o1)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 850783281 YQWXCVNXOISRPO-BZUAXINKSA-N 322.408 4.611 30 20 DJED Cc1cc(C)c(C#N)c(N[C@H](C)c2ccc(OC(C)C)cc2)n1 1121017646 NLJPOPVYCBXOAC-OAHLLOKOSA-N 309.413 4.530 30 20 DJED N#Cc1ccccc1COc1ccc(Cl)c(C(F)(F)F)c1 1165221456 AGYSBLNBBHCWEE-UHFFFAOYSA-N 311.690 4.809 30 20 DJED C[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)C[C@H](c2ccccc2)C1 1202797647 NLOXWSXKNBAFDU-BEVDRBHNSA-N 322.427 4.759 30 20 DJED CC1(C)CCCC[C@H]1CC(=O)Nc1cc(C#N)c2ccccc2n1 1271872644 PSUKKFYRIYOIOV-HNNXBMFYSA-N 321.424 4.651 30 20 DJED COc1ccc(C#N)cc1NCc1ccc(C2CCCC2)cc1 1308430480 KJMKBJAFIZEUDN-UHFFFAOYSA-N 306.409 4.837 30 20 DJED Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc(Cl)c(F)c1 1320444321 XIXGKBSCMYGCQM-LBPRGKRZSA-N 302.780 4.510 30 20 DJED C=C[C@@H](Cc1nnc(-c2cccc(Cl)c2)o1)c1ccccc1 1328209782 AWLVNRWLXGFUBN-ZDUSSCGKSA-N 310.784 4.902 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCCc1ccc(Cl)cc1 1459139068 GVPRIMYXYRQQCY-UHFFFAOYSA-N 306.192 4.795 30 20 DJED C[C@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1F 1521320077 BHCDSJXRSAGHNO-ZDUSSCGKSA-N 311.356 4.545 30 20 DJED C[C@H]1CCc2c(sc(NC(=O)CC(C)(C)C3CC3)c2C#N)C1 1523649029 OFWCHSQXBYKGGI-NSHDSACASA-N 316.470 4.509 30 20 DJED N#Cc1cc(NC(=O)[C@@H]2CCC[C@H]2c2ccccc2)ccc1Cl 1523658415 MBJNZEVENJMEGZ-DLBZAZTESA-N 324.811 4.734 30 20 DJED CC(C)(C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 1524023729 NXHOCEFLSJSGFE-UHFFFAOYSA-N 304.821 4.757 30 20 DJED C[C@@H]1C[C@@H](CC(=O)OCc2ccc(CC#N)cc2)CC(C)(C)C1 1536935354 OCZHVVLJJRLIMK-QAPCUYQASA-N 313.441 4.648 30 20 DJED CC(C)c1ccc(C[C@H]2CCN([C@H](C#N)c3ccccc3)C2)cc1 1559722991 JIDIKYWPILOQLA-DENIHFKCSA-N 318.464 4.939 30 20 DJED N#Cc1nc(N2CC3(CCCC3)[C@@H]2c2ccccc2)ccc1Cl 1612457461 ZLWDFFPQSKPDRA-SFHVURJKSA-N 323.827 4.728 30 20 DJED CC(C)(C)[C@H](NC(=O)Nc1sccc1C#N)c1ccccc1 1626074455 QMNXLGMCXSZUNU-CQSZACIVSA-N 313.426 4.529 30 20 DJED CC[C@H](Nc1nc(C#N)c(Cl)s1)C(C)(C)c1ccccc1 1642444908 IIQYOEXRNWPQFD-ZDUSSCGKSA-N 319.861 4.836 30 20 DJED N#Cc1c(F)cccc1N1Cc2ccccc2-c2ccccc2C1 1650711739 YIWJAEVSKVCXDM-UHFFFAOYSA-N 314.363 4.885 30 20 DJED CC(C)[C@@H]1CCc2ccccc2N1Cc1cccc(C#N)c1F 1653173541 LKNCAZWYJOGPFJ-SFHVURJKSA-N 308.400 4.675 30 20 DJED C[C@]1(c2ccccc2)CCCN([C@H](C#N)c2ccccc2)CC1 1654425047 JWEFHBDOCIFMQZ-RTWAWAEBSA-N 304.437 4.695 30 20 DJED CC[C@@](C)(CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)OC 1657748799 GMMPOHQPIYFFFE-IERDGZPVSA-N 322.452 4.691 30 20 DJED Cc1cc(C#N)ccc1CN1CCc2ccc(Cl)cc2[C@@H](C)C1 1659272958 UPVWNWZWOKARRG-HNNXBMFYSA-N 324.855 4.682 30 20 DJED CC1(C)CC[C@H](NC(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1670294986 WQMBNIRAJUWDQI-NSHDSACASA-N 319.474 4.617 30 20 DJED N#Cc1ccc(/C=C2/CCC/C(=C\c3ccc(C#N)cc3)C2=O)cc1 174992 FLEJFAFNXSGQKC-AYRZQKSOSA-N 324.383 4.650 30 20 DJED C=C[C@H](CC(=O)Nc1cccc(COCC)c1)c1ccccc1 126032761 SFIPBCHCWBROKT-QGZVFWFLSA-N 309.409 4.522 30 20 DJED C[C@H](C#N)Oc1ccc(CNc2cccc3ccccc23)cc1 157711824 BMMMFDIMIVQOAE-OAHLLOKOSA-N 302.377 4.743 30 20 DJED Cc1cscc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 175116881 GMWCXXCCJJDRCD-ZDUSSCGKSA-N 324.430 4.670 30 20 DJED CC(=O)c1ccc(Cl)c(Cl)c1OCCCC(C)(C)C#N 177290416 ZQZVEADCGDZSOK-UHFFFAOYSA-N 314.212 4.905 30 20 DJED C#CCCCCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl 179721701 ZHNXQYGJIPHECW-LBPRGKRZSA-N 312.240 4.706 30 20 DJED O=C1/C(=C\c2cccc(C(F)(F)F)c2)CCc2cc(O)ccc21 207933322 ZYDOZGSNVIVZAP-JYRVWZFOSA-N 318.294 4.624 30 20 DJED C[C@H]1CC/C(=C\C(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 267827878 BVFJEIAMVPWIJU-HMVKAIMHSA-N 314.454 4.766 30 20 DJED CCN(c1ccc(C#N)cn1)[C@H](C)c1cccc(C(F)(F)F)c1 301121338 WUTJCVABWNARNE-GFCCVEGCSA-N 319.330 4.560 30 20 DJED Cc1ccc(Cl)c2sc(N=C(O)C3CCC(=O)CC3)nc12 329190396 CKZBTEVDJZVNSI-UHFFFAOYSA-N 322.817 4.605 30 20 DJED CC[C@@](C)(/N=C(/O)c1cnc(C(C)(C)C)s1)c1nccs1 330825763 FOEMKDJIVFUXEC-OAHLLOKOSA-N 323.487 4.527 30 20 DJED C[C@@H](Sc1cccc(C#N)c1)c1nccn1-c1ccccc1 344142818 RCSUWWMTBOXVFU-CQSZACIVSA-N 305.406 4.597 30 20 DJED C#CCCCCC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 367399616 AGYKJDQHAJDPBA-INIZCTEOSA-N 323.358 4.563 30 20 DJED CCCCCCCCCCNc1c(C(=O)O)cccc1[N+](=O)[O-] 391157505 BITMIRBAQGBRQT-UHFFFAOYSA-N 322.405 4.846 30 20 DJED C[C@@H](C1CC1)N(Cc1ccccc1)Cc1ccc(CC#N)cc1 399224186 DITMYNSJEGWFKJ-KRWDZBQOSA-N 304.437 4.553 30 20 DJED CCCc1occc1C(=O)Nc1sc(C(C)(C)C)cc1C#N 411005442 FWRQKNHEWTZNBX-UHFFFAOYSA-N 316.426 4.715 30 20 DJED C=CCC[C@@H](C)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 427850783 JGHRCRVMVQTGJU-KGLIPLIRSA-N 309.837 4.522 30 20 DJED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2coc3ccccc23)s1 430628257 VEFRNDSGNYOTTR-LBPRGKRZSA-N 324.405 4.677 30 20 DJED C[C@@H]1CCN(CCCCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 441252946 CENSYJJSNSWARZ-CZUORRHYSA-N 310.363 4.782 30 20 DJED CC1(C#N)CCC(NCc2cc(Cl)sc2Cl)CC1 449211083 WYUIFUISIMBOFO-UHFFFAOYSA-N 303.258 4.617 30 20 DJED CCCOc1ccc(CNc2cccc(CC#N)c2)cc1OCC 449687685 DAADRNJBMBTOSE-UHFFFAOYSA-N 324.424 4.552 30 20 DJED CC[C@H]1CCCC[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 475372332 VAPPZKINDLVMNL-RBUKOAKNSA-N 312.457 4.512 30 20 DJED CCC[C@]1(C)CCCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 476230321 ZAFMZEOODGGBKW-AZUAARDMSA-N 312.457 4.503 30 20 DJED C=C(C)[C@@H](NCc1ccc(F)c(C)c1)c1ccc(F)c(F)c1 479399126 UYOLUTOPAZYBOX-GOSISDBHSA-N 305.343 4.819 30 20 DJED CCSc1cccc(/C=C\c2nc3ccccc3n2CC#N)c1 486079988 YPFSAMLCYKNFIS-KHPPLWFESA-N 319.433 4.842 30 20 DJED C=CCN(Cc1cccs1)C(=O)C[C@@H](CC)c1ccccc1 504389447 WYVDBMBYIHBYRY-MRXNPFEDSA-N 313.466 4.847 30 20 DJED CC(C)CN(C(=O)CCCC(C)(C)C)c1ccc(C#N)cc1 504395683 UQDFKQQYARRFEH-UHFFFAOYSA-N 300.446 4.764 30 20 DJED C=CCOc1ccc(CNCc2ccc(F)c(C)c2)cc1Cl 520955007 ZTIMTZPCLINLCG-UHFFFAOYSA-N 319.807 4.642 30 20 DJED CC(C)(C)c1cccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)c1 521458033 AFVXRTWNEGJGGV-HNNXBMFYSA-N 318.376 4.615 30 20 DJED CCC(CC)[C@H](C)C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 536427968 URBJDCLEBHOKNQ-GJZGRUSLSA-N 300.446 4.540 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@@H]2CCC[C@@H]2c2ccccc2)c1 542504945 KBDGFSOEKNHCDO-RTBURBONSA-N 304.393 4.509 30 20 DJED C=CCCO[C@H](C)c1nc(-c2ccc(OC(C)(C)C)cc2)no1 545570796 OTBHPFDCGUJMFS-CYBMUJFWSA-N 316.401 4.568 30 20 DJED C=CCC[C@@H](C(=O)Nc1sc(CC)nc1C)c1ccccc1 548293831 XSXBPNMIJAVBGN-OAHLLOKOSA-N 314.454 4.702 30 20 DJED CC(C)(C)CC(=O)CSc1ccc(C#N)c(C(F)(F)F)c1 561455760 SIIDEXRHKOIMQM-UHFFFAOYSA-N 315.360 4.674 30 20 DJED C[C@H](NCC(C)(C)CCC#N)[C@@H](C)c1nc2ccccc2s1 562047535 LAHHBJGFSWWJLX-KGLIPLIRSA-N 315.486 4.708 30 20 DJED N#CCC[C@@H](C#N)CNc1cccc(CSC2CCCC2)c1 573293160 CIESOGFIPYQYJI-INIZCTEOSA-N 313.470 4.718 30 20 DJED C[C@H](c1ccc(CN2CCC(CCC#N)CC2)cc1)C(F)(F)F 574273409 GHSGCMDFYBYZRM-CQSZACIVSA-N 324.390 4.868 30 20 DJED C=CCCC(=O)N(c1cccc(C(F)(F)F)c1)[C@H](C)C1CC1 588028728 NVMPBDWJNRCNKP-GFCCVEGCSA-N 311.347 4.803 30 20 DJED C=CCCC(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F 589367313 CTOOOASTSRXVLE-OAHLLOKOSA-N 311.347 4.725 30 20 DJED N#C[C@@H](c1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 595290879 FVLIDLKSJOZBAD-IRXDYDNUSA-N 319.433 4.698 30 20 DJED CC[C@H](C)Sc1ccc(NC[C@H](O)CC(C)(C)C#N)c(C)c1 598726679 VIZPDGQQYXEUBG-LSDHHAIUSA-N 320.502 4.598 30 20 DJED CN(Cc1cc2ccccc2s1)Cc1cc(C#N)ccc1F 610930521 QJLDWLRXKAQRMZ-UHFFFAOYSA-N 310.397 4.544 30 20 DJED Cc1ccc(C2CC(NCc3ccc(C#N)c(Cl)c3)C2)cc1 619755209 CODRRTYKCMGENS-UHFFFAOYSA-N 310.828 4.556 30 20 DJED N#Cc1c(F)cccc1NCCc1ccc(Cl)c(Cl)c1 716336118 TZERPXYECYBQJZ-UHFFFAOYSA-N 309.171 4.659 30 20 DJED CCCCCCCCCC(=O)Nc1cc(C#N)ccc1OC 747398732 CKNKLNQXFGIKKX-UHFFFAOYSA-N 302.418 4.646 30 20 DJED CCOC(=O)c1ccc(/C=C\C(=O)c2cccc3ccccc23)o1 751514463 YEFLVTQGDGGSCS-BENRWUELSA-N 320.344 4.506 30 20 DJED C=CCCOCc1nc(-c2ccc(SC(C)(C)C)cc2)no1 762345982 IYHLNDCOSZJZDW-UHFFFAOYSA-N 318.442 4.720 30 20 DJED CC(C)(CCC#N)CN1CCC(c2cc3ccccc3[nH]2)CC1 769122319 QLAMBTZLPZJHCM-UHFFFAOYSA-N 309.457 4.677 30 20 DJED C#CCCCCCC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 779812156 ZOCZBXKSTDFCMU-NRFANRHFSA-N 323.411 4.615 30 20 DJED C[C@@H](OC(=O)CC(C)(C)C#N)c1ccc(Cl)cc1Cl 785096854 YFKHTCBPBIRIRC-SECBINFHSA-N 300.185 4.537 30 20 DJED C=CCOc1ccc(CN(C(=O)C(C)=C(C)C)C(C)(C)C)cc1 786644540 QWDQFBZUHKYAAE-UHFFFAOYSA-N 315.457 4.735 30 20 DJED C=CC[C@@H](CC)NC(=O)N[C@H](C)c1csc2ccccc12 798406608 VZSXNFZRPFKAGQ-CHWSQXEVSA-N 302.443 4.616 30 20 DJED COC[C@@H](/N=C/c1cc(Cl)ccc1O)c1cccc(Cl)c1 809144264 IYOVPMIFFFYKJY-VTNJTDAWSA-N 324.207 4.506 30 20 DJED Cc1ccc(C=NOCc2nc(-c3ccccc3)oc2C)cc1 818267486 AGAFSJLESAOAJS-UHFFFAOYSA-N 306.365 4.509 30 20 DJED CN(C(=O)Nc1ccc(F)cc1C#N)c1ccc2ccccc2c1 818382294 YZAXZHOJTRANID-UHFFFAOYSA-N 319.339 4.519 30 20 DJED CC(C)c1ccc(N(C)C(=O)Nc2cccc(CC#N)c2)cc1 847192167 DXHZNVIPUOUFLU-UHFFFAOYSA-N 307.397 4.544 30 20 DJED CCC(C)(C)OCc1cccc(NCc2cc(C#N)ccn2)c1C 901391133 FQRHSODOVLBCBC-UHFFFAOYSA-N 323.440 4.579 30 20 DJED CCCCCCCCC(=O)Nc1cc(NC(C)=O)ccc1C 915296527 KNJLVCMUQWSXOT-UHFFFAOYSA-N 304.434 4.643 30 20 DJED O=C(/C=C/c1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)cc1 917518218 WKNHKUIZOJGNOT-LREOWRDNSA-N 318.294 4.536 30 20 DJED Cc1nc(C#N)c(NN=C2CCCCCCCCCCC2)o1 917555048 JIBBODFOQQDNDR-UHFFFAOYSA-N 302.422 4.927 30 20 DJED CCCCCCCC(=O)O[C@@H](C)C(=O)Nc1ccc(C)cc1C 919223041 NEHPMBVHVFFJLP-INIZCTEOSA-N 319.445 4.534 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2ccc(C(C)(C)C)cc2)cc1 920971375 XZYUBAMJCFFZIP-UHFFFAOYSA-N 320.436 4.853 30 20 DJED CN(C(=O)CC1(C#N)CCCCC1)C1CCC(C(C)(C)C)CC1 1124858333 RZSITOWCFSPKCU-UHFFFAOYSA-N 318.505 4.914 30 20 DJED Cc1ccc(C(=O)O[C@@H](C)c2cc(Cl)ccc2F)cc1C#N 1127669283 JWAYBZNTMXWGBR-NSHDSACASA-N 317.747 4.577 30 20 DJED Cc1cc(Cl)cc2c1N(Cc1ccc(F)cc1C#N)CCC2 1167779206 QHEBRVOYKBIQFU-UHFFFAOYSA-N 314.791 4.612 30 20 DJED Cc1ccc(CCNc2c(C#N)cnc3c(Cl)cccc23)cc1 1185375922 HTPQBPURZYHVNC-UHFFFAOYSA-N 321.811 4.723 30 20 DJED CCN(C(=O)Nc1scc(C(C)(C)C)c1C#N)C1CCCC1 1218514198 OXNWPPKCXFQYLN-UHFFFAOYSA-N 319.474 4.714 30 20 DJED CCc1oc2ccccc2c1C(=O)Nc1ccc(C#N)cc1Cl 1253662907 MWTHFCDXLIAOOZ-UHFFFAOYSA-N 324.767 4.773 30 20 DJED Cc1cc(C#N)cc(NC(=O)C[C@H](C)c2ccc(C(C)C)cc2)n1 1274124597 KNJRGPHAIGEERU-AWEZNQCLSA-N 321.424 4.517 30 20 DJED Cc1ccc(CSc2ccc(C#N)cc2)c(Br)c1 1307292921 MRORPMREEBPXOK-UHFFFAOYSA-N 318.239 4.922 30 20 DJED Cc1ccc(C)c(C2CCN(Cc3ccc(C#N)s3)CC2)c1 1308134547 FDXRDKOAFSZVBV-UHFFFAOYSA-N 310.466 4.616 30 20 DJED C[C@@H]1CC[C@H](c2ccccc2)N(Cc2cccc(F)c2C#N)C1 1308757162 RCBZYQYPCKKPNF-FOIQADDNSA-N 308.400 4.671 30 20 DJED CCCCN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[C@H](C)C1 1310075904 ATDDILNGOCZONA-MAUKXSAKSA-N 313.445 4.771 30 20 DJED Cc1cc(Cl)cc(C)c1NC(=O)c1ccc(Cl)c(C#N)c1 1323795745 BWEHPBXMYJQOQT-UHFFFAOYSA-N 319.191 4.734 30 20 DJED Cc1nc(N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)ccc1C#N 1458111837 NCIAKVHDVOPDOF-IBGZPJMESA-N 319.452 4.901 30 20 DJED CC1(C)CCCC[C@@H]1CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1460983077 MUKWTSRFGUVHNT-IEBWSBKVSA-N 324.468 4.658 30 20 DJED C/C(=C/c1ccccc1)CN[C@H]1CCCc2cc(C#N)ccc21 1474185647 VVUSITLVCWUGRO-JQFUVSSDSA-N 302.421 4.629 30 20 DJED C[C@H]1CC[C@@](C)(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1(C)C 1526208953 JOQGNPQWEFAYIT-MDOVXXIYSA-N 312.457 4.540 30 20 DJED N#Cc1ccc(Oc2ccc(NC(=O)CCCC3CC3)cc2)cc1 1527017649 MPONGVDYDBQGBV-UHFFFAOYSA-N 320.392 4.869 30 20 DJED CCCCN(Cc1ccccc1F)Cc1ccc(F)cc1C#N 1615393184 WQRPMASIRFMMKF-UHFFFAOYSA-N 314.379 4.639 30 20 DJED C[C@@H]1CC(C)(C)C[C@@H]1Nc1ccc(Oc2ccnc(C#N)c2)cc1 1620956163 JTUMOZAIENNTTQ-KUHUBIRLSA-N 321.424 4.982 30 20 DJED C=C(Br)CN1CCc2c(-c3ccccc3)cccc21 1642618032 STYVNMKDHLUYPN-UHFFFAOYSA-N 314.226 4.625 30 20 DJED CCCN(CCCc1cccc(F)c1)Cc1ccc(C#N)cc1 1644334388 SJZHRZYCUWMKTI-UHFFFAOYSA-N 310.416 4.542 30 20 DJED C=C(Cl)CNCc1c(Cl)cccc1Oc1ccccc1 1650313419 JTIFIMJNJJMFIZ-UHFFFAOYSA-N 308.208 4.974 30 20 DJED C[C@H](Sc1ncccc1C#N)c1cccc(C(F)(F)F)c1 1651279967 BUUYZOQQGPCFBT-JTQLQIEISA-N 308.328 4.825 30 20 DJED C[C@H](CC(C)(C)c1ccccc1)N[C@H](C)c1cccc(C#N)c1 1660694935 FMLFMAZVWBSOID-IAGOWNOFSA-N 306.453 4.965 30 20 DJED C=CCCC[C@@H](Nc1ccc(C(=O)O)c(C)n1)c1ccccc1 1776172001 GMUPRIPACNESBR-QGZVFWFLSA-N 310.397 4.598 30 20 DJED CC[C@H](C)c1ccc(C(=O)/C=C\c2ccc(CC(=O)O)cc2)cc1 1776697875 ULGRCPRGSVAWCI-ODDCISTRSA-N 322.404 4.723 30 20 DJED CC[C@H](C)c1ccc(/C=C/C(=O)c2csc(C(=O)O)c2)cc1 1776698372 MGKLVXFMESCELS-LZGFCCKTSA-N 314.406 4.856 30 20 DJED CC1(C)OB(C23CC(c4ccccc4)(C2)[C@@H]3C2CC2)OC1(C)C 2090608693 JDYRQWCWONSTDE-DZIBYMRMSA-N 310.246 4.591 30 20 DJED N#CC(CCN1C2CCC1CC2)(c1ccccc1)c1ccccc1 39204401 JOZYHHWLCSOQJX-UHFFFAOYSA-N 316.448 4.513 30 20 DJED Cc1ccc(-c2ccsc2C(=O)[C@H](C#N)c2ccccn2)cc1 49457194 KSUQNEREIQAMFI-MRXNPFEDSA-N 318.401 4.609 30 20 DJED Cc1cccc(CC(=O)Nc2ccccc2S[C@H](C)CC#N)c1 66801351 LDDCIHXPLSCPEB-OAHLLOKOSA-N 324.449 4.571 30 20 DJED Cc1ccccc1[C@@H](NC(=O)Nc1ccc(CC#N)cc1)C(C)C 70023174 KPMFCJFPLKJXBW-IBGZPJMESA-N 321.424 4.580 30 20 DJED CCc1ccsc1C(=O)Nc1ccccc1SCCC#N 108199196 CVJGCOGPHMKLCT-UHFFFAOYSA-N 316.451 4.569 30 20 DJED C=C[C@H](CC(=O)[C@H](C#N)c1nc(C(C)C)cs1)c1ccccc1 131164048 FCYWFRPITAFEFG-ZBFHGGJFSA-N 324.449 4.803 30 20 DJED CCC[C@H](NCc1ccc(C#N)s1)c1ccc(Cl)cc1 152978478 VFRNBMPSARJKIL-INIZCTEOSA-N 304.846 4.904 30 20 DJED Cc1cc(C(=O)/C=C/c2ccc(OC(F)F)cc2)c(C)s1 164167640 YESJQTKPDOFIGP-VMPITWQZSA-N 308.349 4.862 30 20 DJED C=CCCSCc1csc(-c2cccc(OC)c2OC)n1 172671009 SDMWCVYUQXXFPO-UHFFFAOYSA-N 321.467 4.637 30 20 DJED C[C@H]1CC/C(=C/C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 267855269 MKNMYFIHYRBWOH-NMIINTFJSA-N 314.454 4.623 30 20 DJED C[C@H](SC/C(O)=N/C1CCCCC1)c1nc2ccccc2o1 329256316 XOGLLPVUZKILNM-LBPRGKRZSA-N 318.442 4.911 30 20 DJED CC(C)[C@H](/N=C(/O)[C@H]1CC12CCCC2)c1nc2ccccc2[nH]1 329972954 WMDGAZWQCZDJTM-CJNGLKHVSA-N 311.429 4.797 30 20 DJED C[C@@H]1CC[C@@H](NC2(c3cccc(C#N)c3)CC2)c2ccccc21 342801776 YKGOMRMFBMHXJE-FOIQADDNSA-N 302.421 4.776 30 20 DJED C[C@@H](c1ccc(Cl)cc1)[S@](=O)CCCCC(C)(C)C#N 435424990 XWQAIEACRBYYTI-RNODOKPDSA-N 311.878 4.870 30 20 DJED C=CCCC[C@@H](C)NC(=O)CC(C)(C)CC(=O)c1ccccc1 442891993 DAPSPANAHXFKMP-MRXNPFEDSA-N 315.457 4.537 30 20 DJED CC#CCCCC(=O)Nc1ccc(Br)cc1C(C)C 466253302 OONWMONGTOSVDR-UHFFFAOYSA-N 322.246 4.705 30 20 DJED CCC[C@@H]1CCc2ccccc2N1C(=O)c1cccc(CC#N)c1 471256092 AQAZGJAIYAPNPJ-LJQANCHMSA-N 318.420 4.514 30 20 DJED COc1c(CNc2ccc(C#N)c(Cl)c2)oc2ccccc12 473712381 FKKANDUBSKMKPE-UHFFFAOYSA-N 312.756 4.579 30 20 DJED C=CCC[C@@H](NC(=O)N(CC1CC1)C1CCC1)c1ccccc1 474543716 VMRZPJHLRRHVMM-LJQANCHMSA-N 312.457 4.668 30 20 DJED CCCOc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1 476521304 PQGGBTJTGWNJRQ-QGZVFWFLSA-N 322.408 4.501 30 20 DJED C=CCC1(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)CCC1 478295456 XPHPCYFPJTUKMZ-LBPRGKRZSA-N 311.347 4.629 30 20 DJED N#C[C@@H](NC(=O)c1ccc(C2CCC2)cc1)c1ccc(Cl)cc1 480186304 XIXRAGHIQSZJJG-GOSISDBHSA-N 324.811 4.602 30 20 DJED C=CCSc1ccccc1C(=O)Nc1ccc(C)c(O)c1C 486932361 CMYKXEHFOPDPNX-UHFFFAOYSA-N 313.422 4.539 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1ccc(Oc2ccncc2)c(C)c1 489361024 OEXOLRVZXWESOY-IBGZPJMESA-N 310.397 4.723 30 20 DJED N#CCC[C@@H](NCc1ccc2c(c1)CCCC2)c1ccccc1 491212024 GFPRYTHAFSJPOI-OAQYLSRUSA-N 304.437 4.700 30 20 DJED C[C@H](F)CCN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 509007275 OUOFYKACTJAUBC-KWQFWETISA-N 317.248 4.647 30 20 DJED CCN(Cc1ccc(-c2ccccc2Cl)o1)C[C@H](C)C#N 509796865 DOUNGCZEKLSRCF-CYBMUJFWSA-N 302.805 4.582 30 20 DJED C=CCC[C@@H](NC1CCN(Cc2ccccc2)CC1)c1ccco1 514105919 UNGZPNUFQJYCPG-HXUWFJFHSA-N 324.468 4.541 30 20 DJED CC(C)c1nc2ccc(NCc3ccc(C#N)cc3)cc2s1 520030056 XFKPTMOTGXJHOH-UHFFFAOYSA-N 307.422 4.903 30 20 DJED C[C@H](Sc1ccc(C#N)cc1Cl)C(=O)c1ccc(F)cc1 531544490 IJGRWRINFYLNEM-JTQLQIEISA-N 319.788 4.714 30 20 DJED CC1(C)CCC[C@H](C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 535915053 ROMZYIRIYIYXRW-IPMKNSEASA-N 324.468 4.501 30 20 DJED C[C@H](C#N)CN(C)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 540998215 WYQODMLFXCTORO-GFCCVEGCSA-N 322.330 4.557 30 20 DJED N#Cc1ccc(Oc2ncnc3c(F)cccc23)c2ccccc12 565965218 RYEMMLOOWUAEGV-UHFFFAOYSA-N 315.307 4.586 30 20 DJED C=CC[C@@H]1N(C(=O)CCc2ccc(C)s2)CCCC1(C)C 578104915 ZLGQJNVGYRVDNS-INIZCTEOSA-N 305.487 4.582 30 20 DJED Cc1cc(C)c(-c2nnc(SCC(C)(C)CC#N)o2)c(C)c1 578207169 MWOJJTSHYYVZGK-UHFFFAOYSA-N 315.442 4.694 30 20 DJED Cc1ccc(-c2ccc(C)c(NC(=O)CCCCCC#N)c2)o1 588165696 FGTFBDKQKYVCHY-UHFFFAOYSA-N 310.397 4.976 30 20 DJED CC(C)[C@H](NC(=O)CCCCCC#N)c1ccc(Cl)cc1 588460065 BTSZXMGQLMWDLR-KRWDZBQOSA-N 306.837 4.627 30 20 DJED C=C(C)COc1cccc(NC(=O)N(C)[C@H]2CCC[C@H](C)C2)c1 589741004 PGOGKZMGOLUVNA-RDJZCZTQSA-N 316.445 4.684 30 20 DJED C[C@@H](CCC#N)CN1CCc2sccc2[C@@H]1c1cccs1 602435626 JDYAWLXOWZSRCN-SUMWQHHRSA-N 316.495 4.697 30 20 DJED C[C@@H](CCC#N)CNc1ccccc1COCc1ccccc1 602493750 KQEWBCAROLPFIQ-KRWDZBQOSA-N 308.425 4.755 30 20 DJED Cc1cc(C)c(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)s1 633988186 KEHRFVDZEAQYRH-NSHDSACASA-N 318.467 4.609 30 20 DJED CN(Cc1ccc(Cl)cc1Cl)Cc1ccc(F)cc1C#N 728569323 JYGLRGRJTSJRFP-UHFFFAOYSA-N 323.198 4.636 30 20 DJED O=C(/C=C/c1ccc(-c2ccccc2)o1)c1csc(C(=O)O)c1 730149591 XXXRLMBILSGDFL-SOFGYWHQSA-N 324.357 4.602 30 20 DJED CCCCCC[C@](C)(CC)C(=O)Nc1cccc(OCC#N)c1 742548899 MYPZRHNLYOTFQM-IBGZPJMESA-N 316.445 4.914 30 20 DJED CC(/C=C\C(=O)c1ccc(-n2cccn2)cc1)=C/c1ccccc1 750905301 LGLORVMWTGLDDL-WCZHDPDVSA-N 314.388 4.715 30 20 DJED C#CCCCC(=O)N(Cc1ccccc1)c1ccc(Cl)cc1 758102354 BRGWETKLMQNLIZ-UHFFFAOYSA-N 311.812 4.677 30 20 DJED C#C[C@H](C)N(C)C(=S)Nc1c(C(C)C)cccc1C(C)C 766524556 ILMOLMHFSJVVRA-AWEZNQCLSA-N 302.487 4.584 30 20 DJED CC(C)(C#N)CCCCOC(=O)Cc1cccc2ccccc12 768375995 KOBHRZMMPBKLDP-UHFFFAOYSA-N 309.409 4.646 30 20 DJED C#CC[C@@H](N[C@H](C)c1cc(Cl)ccc1OC)c1ccccc1 773117885 YAUZPIYRXZMPLC-RDTXWAMCSA-N 313.828 4.764 30 20 DJED C=CCC[C@@H](C(=O)OCc1cc(Cl)ccn1)c1ccccc1 778628754 IAEHNIJIEBUACN-QGZVFWFLSA-N 315.800 4.528 30 20 DJED Cc1nc2cc(N=Cc3cc4ccccc4nc3O)ccc2s1 781100938 QTVKYOWABSKSKT-UHFFFAOYSA-N 319.389 4.609 30 20 DJED Cc1ccc2cc(C(=O)/C=C\c3cn(C(C)C)nc3C)oc2c1 798370710 VMYMNFZREFOHGH-FPLPWBNLSA-N 308.381 4.723 30 20 DJED CCOc1ccccc1[C@@H](CC)Nc1nc(Cl)c(C#N)s1 804404024 DLLYUOQMLDRRFL-LLVKDONJSA-N 321.833 4.630 30 20 DJED CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCCC23CCCC3)c1 815593531 PKNOAYINNMDIIF-HKUYNNGSSA-N 312.457 4.570 30 20 DJED CC(C)=CCC[C@@H](C)CC(=O)Nc1ccccc1O[C@@H](C)C#N 843575620 QTCTWXRQXGSCRI-CVEARBPZSA-N 314.429 4.689 30 20 DJED C[C@@H](Nc1ccc(C#N)cc1F)c1cccc(OC(F)(F)F)c1 864010652 IIBNVZRPZFBMOF-SNVBAGLBSA-N 324.277 4.769 30 20 DJED CCc1ccc([C@H](NCC(C)(C)CCC#N)c2cccnc2)cc1 926426328 AIOLKHQAEPGLER-FQEVSTJZSA-N 321.468 4.653 30 20 DJED Cc1cc(CN[C@@H](C)c2ccc(Cl)c(F)c2)ccc1C#N 1116786038 FXPAEHCZPFHFEE-LBPRGKRZSA-N 302.780 4.510 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C1[C@@H]2CCCCCC[C@@H]12 1124922733 VMKPIEXXBWGNAF-RTBURBONSA-N 324.468 4.512 30 20 DJED CC(C)(C)c1cc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c(C#N)s1 1127706696 VGDAJHAPADKUPZ-AVGNSLFASA-N 316.470 4.682 30 20 DJED C=C(CNC(=O)c1sccc1-c1ccccc1)c1ccccc1 1129475443 FNKBCPGRSVGKOZ-UHFFFAOYSA-N 319.429 4.858 30 20 DJED N#Cc1cnc(NC2CCC3(CCCCC3)CC2)c(Cl)c1 1163054142 CADJLZWCDDEXLY-UHFFFAOYSA-N 303.837 4.912 30 20 DJED CC(C)Oc1ccc2ccccc2c1CN(C1CC1)[C@@H](C)C#N 1195919790 PHBJSGUCMAOCIK-HNNXBMFYSA-N 308.425 4.503 30 20 DJED CC(C)OCc1ccc(NC2CC(C#N)(c3ccccc3)C2)cc1 1320577233 UZOWVSCSKKVQJR-UHFFFAOYSA-N 320.436 4.647 30 20 DJED Cc1coc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 1435107506 DOQMDLPGHCNNOI-UHFFFAOYSA-N 318.332 4.504 30 20 DJED N#Cc1cnc(N2CCC[C@H]2CC2CCCCC2)c(Cl)c1 1458146473 SIBZPQYLQASFFX-HNNXBMFYSA-N 303.837 4.546 30 20 DJED N#Cc1cccc(C#N)c1Nc1cccc(N2CCCCCC2)c1 1458205452 TWZJSCWSYQFMPQ-UHFFFAOYSA-N 316.408 4.554 30 20 DJED Cc1cc(SC[C@H](C)COCc2ccccc2)ccc1C#N 1473049275 UBYKPWFIEAZEAN-OAHLLOKOSA-N 311.450 4.812 30 20 DJED C[C@H](OC(=O)CC1CC(c2ccccc2)C1)c1ccc(C#N)cc1 1531747846 QRTZRBZTRAQJSA-FVWXCPNNSA-N 319.404 4.746 30 20 DJED N#Cc1ccc(Cl)cc1OC/C=C/c1ccc(Cl)cc1 1559388123 ZXXFQSOWYDHUTH-OWOJBTEDSA-N 304.176 4.957 30 20 DJED N#CC1(CNCc2ccc(Sc3ccccc3)cc2)CCC1 1560616592 LSIDYJPIZMDBHK-UHFFFAOYSA-N 308.450 4.621 30 20 DJED N#Cc1ccccc1N(C(=O)CCCC1CCCC1)C1CCC1 1586217559 FSUGVFUSKFFWBC-UHFFFAOYSA-N 310.441 4.804 30 20 DJED COc1cccc([C@H](C)Sc2nc(C)c(C#N)cc2Cl)c1 1612112709 SOHGMQQXWKQRTH-NSHDSACASA-N 318.829 4.777 30 20 DJED C[C@H](CC(=O)N(c1ccccc1C#N)C1CCC1)CC(C)(C)C 1617588901 SDLARRHESCGOHY-OAHLLOKOSA-N 312.457 4.906 30 20 DJED Cc1c(Cl)cnc(N[C@@H](C)c2cc3ccccc3o2)c1C#N 1639786792 BAPPQUDCQGWZDZ-NSHDSACASA-N 311.772 4.834 30 20 DJED C[C@@H](CCC1CCCCC1)NC(=O)Nc1cc(C#N)ccc1F 1662505259 VETNQWMGBJWMAU-ZDUSSCGKSA-N 317.408 4.568 30 20 DJED CC(C)[C@H](CN[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 1662682196 WKOMFWWVORAJKL-VXKWHMMOSA-N 318.464 4.965 30 20 DJED CC1(C)Sc2ccccc2C(=O)/C1=C\c1cccc(C(=O)O)c1 1776573135 RCIIRQRVSNCKPF-RVDMUPIBSA-N 324.401 4.535 30 20 DJED Cc1ccc(C)c(NC(=O)CS[C@H](C)c2ccc(C#N)cc2)c1 118445583 ODVGMYVCOVPMDP-OAHLLOKOSA-N 324.449 4.608 30 20 DJED C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 188320041 XMMSJRVRWHIWPE-UGSOOPFHSA-N 314.454 4.590 30 20 DJED COc1cc(C)c(C(=O)/C=C/c2ccc(Cl)s2)cc1OC 217044988 DBTQEPSTDUMHQC-GQCTYLIASA-N 322.813 4.623 30 20 DJED C[C@H](NCc1cccc(OCCCC#N)c1)[C@H](C)c1ccccc1 237494203 HIFWSNXPGFQHKE-ROUUACIJSA-N 322.452 4.651 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)C[C@@H]1CCC[C@H]1C 249023795 REAFNBPDCVWUKK-KFWWJZLASA-N 316.470 4.703 30 20 DJED Oc1ccccc1C=Nc1ccc(SCc2cccnc2)cc1 255519195 BSHFWVQBEDJOFE-UHFFFAOYSA-N 320.417 4.830 30 20 DJED C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2ccc(Cl)s2)cc1 255780203 ZNRVFYXTOHBGSU-MEQVVJDKSA-N 317.797 4.588 30 20 DJED CC(C)(C#N)CC(=O)Nc1cc(Cl)ccc1OC1CCCC1 278263420 ADIIAWXQHHIZLO-UHFFFAOYSA-N 320.820 4.540 30 20 DJED C[C@H](Nc1ccc(C#N)cc1C(F)(F)F)c1ccc(C#N)cc1 301092255 MJHQUEZWFVEVNO-NSHDSACASA-N 315.298 4.622 30 20 DJED N#Cc1cccc(CNC(c2ccccc2)c2ccccc2)c1F 327092861 JVROKZLEOFYOBQ-UHFFFAOYSA-N 316.379 4.577 30 20 DJED CCC(C)(C)C1CCC(/N=C(/O)[C@@H](C)c2cncnc2)CC1 330287794 CPYQFXGVZRXYEJ-JEYLPNPQSA-N 303.450 4.532 30 20 DJED N#CCc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)CCCC2 410972741 VALYHJCFLWLHFL-UHFFFAOYSA-N 324.811 4.537 30 20 DJED CC(C)(C)[C@@H]1CCCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 432309347 ZEZWHUBNOCKELL-CYBMUJFWSA-N 319.836 4.502 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(F)cc1Cl 442685861 GLPHSFNCDAQVOM-GFCCVEGCSA-N 302.780 4.544 30 20 DJED C=C1CCN(C(=O)c2ccccc2Oc2cccc(C)c2)CC1 442740581 VBQQQRROIJMEPK-UHFFFAOYSA-N 307.393 4.580 30 20 DJED C=CCC(CC=C)c1nc([C@@H]2CSc3ccccc3O2)no1 446010002 ICWKOSFDVOYAFD-AWEZNQCLSA-N 314.410 4.531 30 20 DJED CC[C@@H](NC1CCC(CSC)CC1)c1ccc(C#N)cc1 453268810 KTZBHFKXBKYMRR-VMWRSERWSA-N 302.487 4.521 30 20 DJED C[C@H](N(CCCSCC#N)Cc1ccccc1)C(C)(C)C 469446652 QYLJYBHAUWFPCY-INIZCTEOSA-N 304.503 4.570 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@H]1CC12CCCC2 474364018 ZCLXNWQSBLXJGP-OAHLLOKOSA-N 322.433 4.806 30 20 DJED C=C(C)[C@@H](NC(=O)[C@@H](C)c1ccccc1)c1ccc(F)c(F)c1 475670871 IICJWHVNKXAAGA-SCLBCKFNSA-N 315.363 4.502 30 20 DJED C=CCC[C@H](Nc1ccc2c(c1)CCC(=O)N2CC1CC1)C1CC1 480669805 VBILWCRCTWVMPH-IBGZPJMESA-N 324.468 4.533 30 20 DJED C=CC[C@H](C(=O)N(C)c1nc2ccccc2s1)c1ccccc1 487557633 XFCIZAWTUFJRMF-HNNXBMFYSA-N 322.433 4.619 30 20 DJED N#CCC[C@H](Nc1nnc(-c2ccccc2)s1)c1ccccc1 532674023 QECPHOYUEWWMBV-INIZCTEOSA-N 320.421 4.662 30 20 DJED C=C[C@H](CC(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 535475387 MJQORCRYUQWVTA-CYBMUJFWSA-N 310.784 4.510 30 20 DJED CC(C)(C)C1=CCN(Cc2cccc(OCCCC#N)c2)CC1 535806940 NVDVBENBCMPSNC-UHFFFAOYSA-N 312.457 4.547 30 20 DJED CC(C)CCOc1cccc(NCc2ccc(C#N)s2)c1 535852236 NHBCJKIYMNPRJV-UHFFFAOYSA-N 300.427 4.657 30 20 DJED C=CCC[C@@H](NCc1ccccc1Br)c1ccco1 552246313 QGJMCHRWCCAGOZ-OAHLLOKOSA-N 320.230 4.839 30 20 DJED C=CCCO[C@H](C)c1nc(C(C)(C)c2ccc(Cl)cc2)no1 554852153 ZKOUTMMYPSTLKU-GFCCVEGCSA-N 320.820 4.703 30 20 DJED N#Cc1cccc(CN(Cc2cccc(F)c2)C2CCCC2)c1 558073402 QYVVOSSPCCBNHZ-UHFFFAOYSA-N 308.400 4.642 30 20 DJED CC(C)[C@H](CC1CCCCC1)C(=O)N1CCC(CCC#N)CC1 572604053 CSQFHORFEGCDEJ-IBGZPJMESA-N 318.505 4.771 30 20 DJED C[C@H](NCc1ccc2sccc2c1)c1ccc(C#N)c(F)c1 580501968 XGOXCXJTIVTBRI-LBPRGKRZSA-N 310.397 4.763 30 20 DJED Cc1ccc(SCc2c(C#N)c(C)nn2-c2ccccc2)cc1 590612275 JGTOIEIIVXNDSV-UHFFFAOYSA-N 319.433 4.653 30 20 DJED CSc1c(F)cc(N[C@@H](C)c2cccc(C#N)c2)cc1F 600850051 UDWANDQLFXHQPN-JTQLQIEISA-N 304.365 4.731 30 20 DJED CCC(CC)CN(CCC#N)C(=O)CC(C)(C)c1ccccc1 609188694 UEUGTGZCTKJSSQ-UHFFFAOYSA-N 314.473 4.533 30 20 DJED CCCOc1ccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 610830521 YMUANXROHOXTRQ-CVEARBPZSA-N 308.425 4.759 30 20 DJED Cc1oc(C(C)C)cc1C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 647379801 OGLWAFMTFUUTTG-CYBMUJFWSA-N 314.410 4.535 30 20 DJED C=CCc1ccc(OC(=O)c2ccc(C(F)F)cc2)c(OC)c1 726498300 LFILCBIZPIVSOI-UHFFFAOYSA-N 318.319 4.581 30 20 DJED C=CCCCCCN(C)C(=S)N[C@H](CC)c1cccs1 739459496 PYXRNAFPSPCSTH-CQSZACIVSA-N 310.532 4.752 30 20 DJED CC/C(=C/C(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccc(C)cc1 741531250 DPZHSKKQEKKQSC-OKSBFYSISA-N 318.420 4.538 30 20 DJED N#Cc1ccccc1/C=C1\CCC/C(=C\c2ccccc2C#N)C1=O 755569690 JQASKJJTBYKCSE-KLCVKJMQSA-N 324.383 4.650 30 20 DJED N#CCOc1cccc(N[C@@H]2CC=C(c3ccc(F)cc3)CC2)c1 757877415 ZQZUSHLJEQPDLR-GOSISDBHSA-N 322.383 4.776 30 20 DJED CCO[C@@H](C/N=C\c1c(O)ccc2ccccc12)c1ccccc1 772154659 KUISXCKOUMQCGB-ODLJZMMESA-N 319.404 4.742 30 20 DJED C=C(Cl)CN[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 773003080 WMCXZBQMHFNKBQ-ZDUSSCGKSA-N 322.836 4.669 30 20 DJED C=CCCN(C)C(=S)Nc1ccccc1Oc1ccccc1 786082626 KDZMUETVFSTSDD-UHFFFAOYSA-N 312.438 4.684 30 20 DJED COc1cc(NN=Cc2cscc2Cl)ccc1Cl 788472457 VHRHRVMOUWXRLW-UHFFFAOYSA-N 301.198 4.510 30 20 DJED O=C(/C=C\c1nccn1-c1ccccc1)c1coc2ccccc12 790225852 WKPTWHMDOHYCKH-KHPPLWFESA-N 314.344 4.515 30 20 DJED CC1(C)CC(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)C1 796813798 ZXHQCEKBHUYAJI-LLVKDONJSA-N 318.829 4.562 30 20 DJED CC(C)CC[C@@H](NCc1cc(C#N)ccc1F)c1ccoc1 796825264 FGASSESJPZZHEW-GOSISDBHSA-N 300.377 4.557 30 20 DJED FCCC[C@H]1CCCC1=NNc1ccc(OC(F)F)cc1 800811763 IISGMXBGMVOSAW-LLVKDONJSA-N 300.324 4.606 30 20 DJED COc1ccccc1[C@H](C)Sc1nc(Cl)c(C#N)s1 804510563 JZGFAVXEENTCNP-QMMMGPOBSA-N 310.831 4.530 30 20 DJED C#CCC1(c2nc(Cc3ccccc3Cl)no2)CCCCC1 904372853 VRWPWICBLHUGNN-UHFFFAOYSA-N 314.816 4.539 30 20 DJED CCc1ccc([C@@H](C)CC(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1 1126712748 KNJCKTNUFWUKFF-HOTGVXAUSA-N 321.420 4.919 30 20 DJED N#CC[C@@H](C(=O)N1CCCC2(CCCCC2)CC1)c1ccccc1 1128024057 OYSMVAOYFITHFG-LJQANCHMSA-N 324.468 4.647 30 20 DJED N#CC1(CCN2CCC[C@@H]2CCc2ccccc2)CCCCC1 1167072820 UQBUOGLLDSWXJZ-HXUWFJFHSA-N 310.485 4.948 30 20 DJED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNc1snc(Cl)c1C#N 1185116868 MUXKKZBKDZSVGY-IJLUTSLNSA-N 311.882 4.788 30 20 DJED CC[C@H](C)CCNc1cc(C)c(C#N)c2nc3ccccc3n12 1186973441 IFTRIICSUYUCJU-ZDUSSCGKSA-N 306.413 4.516 30 20 DJED CCC(CC)CN(CCC#N)Cc1cccc(-c2ccccn2)c1 1204497182 MRLMWFKJNNHNLO-UHFFFAOYSA-N 321.468 4.900 30 20 DJED C[C@@H](CCC(C)(C)C)C(=O)N(c1cccc(C#N)c1)C1CCC1 1279140884 TYYLORFRQSTJKC-HNNXBMFYSA-N 312.457 4.906 30 20 DJED CC[C@H](c1ccccc1)N(C(=O)c1cc(C#N)ccc1F)C(C)C 1280385888 ISNWLUNXPNHYSW-LJQANCHMSA-N 324.399 4.699 30 20 DJED CC(C)[C@@H]1C[C@H](Nc2snc(Cl)c2C#N)c2ccccc21 1307184830 KUIQZXZHPPBQJT-JSGCOSHPSA-N 317.845 4.965 30 20 DJED CCCCCCCN(CCC)Cc1nc(O)c2sccc2n1 1322834455 GISQIBNVZHAFEF-UHFFFAOYSA-N 321.490 4.579 30 20 DJED CC(C)[C@H](C#N)c1ccc(-c2ccc3c(c2)CCC(=O)N3)cc1 1327719593 ISCOQEPCZMEAQU-SFHVURJKSA-N 304.393 4.501 30 20 DJED CC[C@H](C#N)[C@@H](OC(=O)[C@H](C)c1ccsc1)c1cccs1 1345103545 KDIIHUQXYUUPGF-LALPHHSUSA-N 319.451 4.747 30 20 DJED CCC[C@H]1CCC[C@@H]1C(=O)N(CC(C)C)c1ccc(C#N)cc1 1349943779 CRSQYQPKJJQYAU-HKUYNNGSSA-N 312.457 4.764 30 20 DJED CC1(C)CCC(C)(C)N(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 1461684332 BGDDYGARGQGDKG-UHFFFAOYSA-N 312.457 4.529 30 20 DJED N#Cc1cnc(N[C@H](c2ccc(F)cc2)C2CCCC2)c(F)c1 1472684889 IGWRRJJXXONUFI-KRWDZBQOSA-N 313.351 4.575 30 20 DJED CCC[C@H]1CCCC[C@H]1CNc1ncc(Cl)c(C)c1C#N 1472806172 LEDVHWVREYNZAN-KBPBESRZSA-N 305.853 4.934 30 20 DJED C[C@H](c1ccccc1)N(CCc1ccc(C#N)cc1)CC1CCC1 1473177977 UDOORTPVERATBD-GOSISDBHSA-N 318.464 4.964 30 20 DJED Cc1cc(Cl)c(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1C 1531748121 XQQWJOLYTOWEKJ-ZDUSSCGKSA-N 313.784 4.747 30 20 DJED Cc1cc(SCc2cc(Cl)c3c(c2)OCO3)ccc1C#N 1559429379 QOCLDANJLDATKB-UHFFFAOYSA-N 317.797 4.541 30 20 DJED C=C(CNC(=O)[C@@H](c1ccccc1)[C@@H](C)CC)c1ccccc1 1583132364 CKWHEVNAJVGUTB-OXJNMPFZSA-N 307.437 4.646 30 20 DJED CC(C)COc1cccc(COc2ccc(C#N)cc2Cl)c1 1613398249 DHFSHRHWHBZDFA-UHFFFAOYSA-N 315.800 4.825 30 20 DJED CC[C@H](c1ccccc1)N(Cc1cc(C#N)ccc1OC)C(C)C 1620446507 VSYIZZJMIPFWOO-HXUWFJFHSA-N 322.452 4.929 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@H](c2ccc(F)c(Cl)c2)C2CC2)C1 1621342585 TUPXOXRMNOVGCD-WHCBVINPSA-N 306.812 4.602 30 20 DJED CC(C)c1csc(S[C@@H](C#N)CCc2ccccc2)n1 1641252625 ONBZKSWMPXNBQY-CQSZACIVSA-N 302.468 4.884 30 20 DJED CC(C)(C)c1ccc(C2CCN([C@@H]3CC[C@H](C#N)C3)CC2)cc1 1643151187 VTVYDUFWJKFUET-OXJNMPFZSA-N 310.485 4.856 30 20 DJED CCC[C@@H](CCc1ccccc1)Nc1c(C#N)cccc1C#N 1651559162 NMPQCITWDSEXMG-IBGZPJMESA-N 303.409 4.643 30 20 DJED Cc1cc(S[C@H](C)C(C)C)n2c(nc3ccccc32)c1C#N 1651583259 WLNWLRUFNGSBNM-CYBMUJFWSA-N 309.438 4.804 30 20 DJED CCCc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1 1652994877 YQJXXOJXKHHUTK-UHFFFAOYSA-N 304.437 4.675 30 20 DJED N#Cc1cc(Cl)ccc1SCc1cnc(Cl)s1 1656331904 LWGUFSMGQGIBEZ-UHFFFAOYSA-N 301.223 4.614 30 20 DJED C=C(Br)CN1CCCCC[C@@H]1c1cccc(C)c1 1657374031 RUCGXBKRMNLJSK-MRXNPFEDSA-N 308.263 4.821 30 20 DJED CC(C)Cc1cccc(C(=O)/C=C\c2ccc(C(=O)O)s2)c1 1776341524 YKEJYZXBSHINKU-VURMDHGXSA-N 314.406 4.541 30 20 DJED CC(C)CC[C@H](C)NC(=O)c1ccccc1-c1ccccc1C#N 21203767 MRRIITVQTZBOGW-INIZCTEOSA-N 320.436 4.780 30 20 DJED O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 33421735 ATSHMFNBWPTQLJ-TWGQIWQCSA-N 321.254 4.510 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCc1cccc(F)c1 66861405 WRZVUCLBUXPCKU-ZDUSSCGKSA-N 300.402 4.832 30 20 DJED CC(C)Sc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1 103345362 KWYWPQQIXGZUCC-OAHLLOKOSA-N 310.466 4.910 30 20 DJED CCc1cc(C#N)c(NC(=O)c2cc3ccccc3s2)s1 126774289 PNRQFLVTWCAQSX-UHFFFAOYSA-N 312.419 4.649 30 20 DJED CCCCSCCC(=O)Nc1ccccc1SCCC#N 151817723 IZNUYKOBGDWGDY-UHFFFAOYSA-N 322.499 4.554 30 20 DJED N#CCCSc1ccccc1NCc1cccc(F)c1F 178385928 DMYJYMCUNSYMNI-UHFFFAOYSA-N 304.365 4.583 30 20 DJED CCC(CC)[C@H]1C[C@H](Nc2ccc3cc(C#N)ccc3n2)CCO1 302021166 DYMIIUAIWYGQMN-IEBWSBKVSA-N 323.440 4.502 30 20 DJED COc1ccc(C(=O)/C=C/c2cccc(OC(C)C)c2)cc1F 303063775 MODNHVDWKOFMKY-VQHVLOKHSA-N 314.356 4.518 30 20 DJED C[C@@H]1CCC[C@@H](C)C1/N=C(/O)c1ccc2c(c1)N=C(O)C2(C)C 328889910 QZTWBIOXXWAEGL-VXGBXAGGSA-N 314.429 4.695 30 20 DJED Cc1cc([C@@H](C)/N=C(/O)Nc2scnc2C2CC2)c(C)s1 328911706 GQYJSDXRVCQUIJ-SECBINFHSA-N 321.471 4.786 30 20 DJED Cc1cc(C)c(N=C(O)c2sc(CC(C)C)nc2C)c(C)n1 330494335 OIMULZCPDTWCNP-UHFFFAOYSA-N 317.458 4.607 30 20 DJED Cc1nc(C)c(N/C(O)=N/[C@H](C)c2ccc(Cl)s2)s1 330934605 JNOJRRCNJWSTIY-ZCFIWIBFSA-N 315.851 4.562 30 20 DJED CC(C)c1cccc(C(C)C)c1NC(=O)NCC(C)(C)C#N 348151544 IZNJYOJXFNOHOF-UHFFFAOYSA-N 301.434 4.605 30 20 DJED CC[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)C(C)(C)C 431924234 GMSKXDYCYQOQDV-IRXDYDNUSA-N 315.461 4.545 30 20 DJED COc1ccc2c(c1)C[C@@H](C)N(CCCCC(C)(C)C#N)[C@@H]2C 444680071 DFMCGMVVVMVCIN-HZPDHXFCSA-N 314.473 4.723 30 20 DJED CCCC[C@H](CC)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 468362962 RJBXCNXBLNNQMM-QXAKKESOSA-N 312.457 4.501 30 20 DJED CCCOc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1 476521303 PQGGBTJTGWNJRQ-KRWDZBQOSA-N 322.408 4.501 30 20 DJED CCN(CCC(=O)c1ccc(C)cc1)[C@H](C)c1ccc(C#N)cc1 480519049 AFCJTAROHBMMBL-QGZVFWFLSA-N 320.436 4.523 30 20 DJED Cc1ccc([C@H](C)N[C@@H]2CCCCc3cc(C#N)ccc32)cc1 481919114 ICNSMAOHXHGVAI-HRAATJIYSA-N 304.437 4.985 30 20 DJED N#Cc1c(NC(=O)c2ccc(C3CCC3)cc2)sc2c1CCC2 485614560 QGCPDWJOCWJYKT-UHFFFAOYSA-N 322.433 4.628 30 20 DJED C=CCSc1ccccc1C(=O)Nc1cccc(Cl)c1O 486189286 IHIGJQHNWOCDMU-UHFFFAOYSA-N 319.813 4.576 30 20 DJED CCN(Cc1cccc(F)c1)Cc1ccccc1C(C)(C)C#N 487377997 NKOAFUWAZRHUHP-UHFFFAOYSA-N 310.416 4.649 30 20 DJED CCC[C@@H](C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 494665989 PTALXRKXLIAHJW-MRXNPFEDSA-N 312.800 4.734 30 20 DJED CC(C)CC[C@@H](NCCCC1(C#N)CCOCC1)C(C)(C)C 499608969 HELWHMNAUCQBLO-QGZVFWFLSA-N 308.510 4.527 30 20 DJED C=CCC(C)(C)c1noc([C@@H]2CCSc3ccccc32)n1 519123949 JGDDXSAPJSKAJQ-CYBMUJFWSA-N 300.427 4.551 30 20 DJED N#Cc1ccc(CNc2nc3ccccc3n2C2CCCC2)cc1 536391084 NASVPOSATBCKQH-UHFFFAOYSA-N 316.408 4.635 30 20 DJED CC(C)[C@@H](NCc1cccc(C#N)c1)c1cc2ccccc2o1 538454667 IQOXJRDXCOQUQQ-HXUWFJFHSA-N 304.393 4.791 30 20 DJED C=CC[C@@H](C)N[C@H]1CCCc2nc(-c3ccccc3F)sc21 540169589 FKVGSKVAADBNIL-DOMZBBRYSA-N 316.445 4.881 30 20 DJED C[C@@H]1C[C@H]1[C@H](NCc1ccccc1C#N)c1ccc(Cl)cc1 540523675 WYXCRKPELSMHCE-UPRAQXHNSA-N 310.828 4.699 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1ccc(Cl)s1 550030844 DJCBTLKHVMYNJP-UHFFFAOYSA-N 304.846 4.685 30 20 DJED C=CCCC[C@@H](C)NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 553192760 OKRCJHSLELWNBA-CZUORRHYSA-N 306.837 4.541 30 20 DJED C[C@@H](Cc1c(Cl)cccc1Cl)NCC(C)(C)CCC#N 554072831 HSLJNGCQBBUHPV-LBPRGKRZSA-N 313.272 4.844 30 20 DJED CO[C@H](c1ccc(Cl)cc1)[C@@H](C)Nc1cccc(F)c1C#N 609894659 YTQRCTRJEQJLFA-DIFFPNOSSA-N 318.779 4.539 30 20 DJED C[C@@]1(C#N)CCCN(c2ccc3ccc(Cl)c(Cl)c3n2)C1 612106475 BWCJPRYOMGKLID-INIZCTEOSA-N 320.223 4.672 30 20 DJED C=CCN(Cc1ccccc1)C(=O)N[C@H](c1ccccc1)C(C)C 612200674 NSAPXCJDPNJWGJ-FQEVSTJZSA-N 322.452 4.782 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2NCc1csc2ccccc12 618743098 WOGXHUMFGKQYOT-GOSISDBHSA-N 304.418 4.550 30 20 DJED CCCCCCCCCCC(=O)N1CCC[C@H](c2ncc[nH]2)C1 727735952 FLYUWZVZMPTJBQ-KRWDZBQOSA-N 319.493 4.647 30 20 DJED Cc1c(C(=O)/C=C/c2ccc(C(C)C)cc2)c(C#N)c2n1CCC2 730086050 XTEFFWCYESOKFB-DHZHZOJOSA-N 318.420 4.634 30 20 DJED CCCc1ccc(C(C)=NNc2oc(C(C)(C)C)nc2C#N)cc1 746498172 RVOYRWPVOMHXTP-UHFFFAOYSA-N 324.428 4.632 30 20 DJED O=C1/C(=C\c2cccc(OC(F)F)c2)CCc2ccccc21 747061366 GCWNCVYAUVZQMI-UVTDQMKNSA-N 300.304 4.501 30 20 DJED CCCCCCCC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 753275624 ZMPMSIZMRUZOKH-HKUYNNGSSA-N 317.473 4.631 30 20 DJED C=CCN(C(=O)CCCc1cc(Cl)sc1Cl)C(C)C 755195934 YDBHBLSQKKNXDB-UHFFFAOYSA-N 320.285 4.801 30 20 DJED C=CCCC(=O)COC(=O)c1sc2cccc(C)c2c1Cl 761376411 JIEKSWUIYRTMOH-UHFFFAOYSA-N 322.813 4.555 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2c(Cl)cccc2Cl)s1 762441645 ANEGOEDQNHPCNR-AATRIKPKSA-N 308.189 4.823 30 20 DJED Cc1ccc(OC(F)F)c(C(=O)/C=C\c2ccc(Cl)nc2)c1 762602935 GHNUUYWPEGIYHJ-HYXAFXHYSA-N 323.726 4.541 30 20 DJED CCCCCCC[S@@](=O)Cc1ccccc1C(F)(F)F 764438504 OECLMFXYPKPJHS-HXUWFJFHSA-N 306.393 4.925 30 20 DJED Fc1ccc(NN=Cc2ccc(F)cc2C(F)(F)F)c(F)c1 771871734 GGHXTPLNQVITSZ-UHFFFAOYSA-N 318.220 4.569 30 20 DJED CC(=NOCc1ccc(C(F)(F)F)cc1)C1CCSCC1 777444007 RDAGJJNTSZINEY-UHFFFAOYSA-N 317.376 4.741 30 20 DJED C#Cc1cccc(N(Cc2ccco2)C(=O)C[C@@H]2C=CCCC2)c1 777640624 QILOGOBIEXPJLF-GOSISDBHSA-N 319.404 4.541 30 20 DJED C=CC[C@H](C(=O)OCc1ncc(C(C)C)s1)c1ccccc1 778714378 VSLVAGAVURFZCP-HNNXBMFYSA-N 315.438 4.670 30 20 DJED CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)OCCCCC(C)(C)C#N 786352119 PMTPFMAVHYVTPF-BBWFWOEESA-N 323.477 4.624 30 20 DJED C/C=C(/CC)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 789620877 LLQCCDRBRWWGEI-BMGHKUIESA-N 304.393 4.637 30 20 DJED CCCCCCCS(=O)(=O)Cc1cccc(C(F)F)c1 794899248 SPHRMFPKKFGDGZ-UHFFFAOYSA-N 304.402 4.509 30 20 DJED C[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1F 795981529 NMFTUTLQDPBXPA-GDBMZVCRSA-N 311.356 4.517 30 20 DJED CCc1cccc2c(/C=C3/Cc4nc(Cl)ccc4C3=O)c[nH]c12 806576825 IGZVXPXKTXEJID-WQLSENKSSA-N 322.795 4.601 30 20 DJED N#Cc1ccc(SCc2csc(Cl)n2)c(Cl)c1 806590948 UKIDWKIMEJNBTN-UHFFFAOYSA-N 301.223 4.614 30 20 DJED CC[C@@H](C#N)Oc1cccc(CN[C@H](CC)c2ccsc2)c1 834650837 RBAXLUVWEMBUFT-FUHWJXTLSA-N 314.454 4.670 30 20 DJED N#CC1(CCCCOc2cccc(Oc3ncccn3)c2)CCC1 902703367 IBESMXSALDFOKI-UHFFFAOYSA-N 323.396 4.512 30 20 DJED Cc1nc(-c2cc([C@H](C)NCC3(C#N)CCC3)cs2)cs1 903031615 MWBBSFLQEABKPM-NSHDSACASA-N 317.483 4.525 30 20 DJED CCCCCCCC[C@@H](C)Cc1nc(C2CCOCC2)no1 904583881 GLZORRNKRPFETQ-OAHLLOKOSA-N 308.466 4.893 30 20 DJED Cc1ccnc(N(C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)c1C#N 1162717919 PZLKKZGBPXETMJ-KGLIPLIRSA-N 313.832 4.544 30 20 DJED CCN(CCC1CC1)Cc1ccc(-c2ccccc2C#N)cc1 1193116464 CGDOJBSYXPBFNW-UHFFFAOYSA-N 304.437 4.847 30 20 DJED Cc1ccc(C)c(-n2ncc(N[C@@H](C)CC(C)(C)C#N)c2C)c1 1204993073 TUNBJLYICWAAOU-HNNXBMFYSA-N 310.445 4.538 30 20 DJED CCCc1c(N[C@H](C)CC(C)(C)C#N)cnn1-c1cccc(C)c1 1205589065 JVVKBVIVMBDVCF-MRXNPFEDSA-N 324.472 4.874 30 20 DJED C=C[C@@](C)(CC)c1nnc(COc2ccc3ccccc3c2)o1 1261573901 HQZJCSMBIOFPRE-IBGZPJMESA-N 308.381 4.656 30 20 DJED CC(C)(C)[C@@H]1CCCN(Cc2cc(Cl)ccc2OCC#N)C1 1307716237 BDFLUSLZOKJLFW-OAHLLOKOSA-N 320.864 4.500 30 20 DJED CC(C)=CCC/C(C)=C\C=NNc1ccc(C(C)(C)C)nn1 1322975529 MSZNKFSWTVPCBV-XDFLANIISA-N 300.450 4.865 30 20 DJED CC[C@H](C#N)[C@H](OC(=O)[C@@H](C)c1cccs1)c1cccs1 1343906315 PCDPCPYFKVHBKU-ZOWXZIJZSA-N 319.451 4.747 30 20 DJED CC(C)(C)C[C@H](NC(=O)c1cc(C#N)ccc1F)c1ccccc1 1355047275 FMHQJFAHRAYHFG-SFHVURJKSA-N 324.399 4.605 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CCC1CCCCCC1 1436969595 QFGOWQDCAFUNPP-INIZCTEOSA-N 312.457 4.828 30 20 DJED N#Cc1ccc(CCN(Cc2ccccc2Cl)CC2CC2)cc1 1460102933 WHSNNLLTZDNPPS-UHFFFAOYSA-N 324.855 4.666 30 20 DJED C=C(CNC(=O)c1ccc(C2CCCC2)cc1)c1ccccc1 1460675953 VLQKPRJKNMCCFF-UHFFFAOYSA-N 305.421 4.787 30 20 DJED CCC[C@H]1CCc2ccccc2N1Cc1cc(C#N)ccc1OC 1473253056 BJHQBEXTEKDGJW-IBGZPJMESA-N 320.436 4.688 30 20 DJED Cc1cc(C#N)ccc1CN1C[C@@H](C)CC[C@H]1c1ccccc1 1473465110 PJLZJQFZXLBKSC-KKSFZXQISA-N 304.437 4.840 30 20 DJED Cc1cc(CNc2cc(C#N)ccc2OC(C)C)ccc1Cl 1474172030 ABXZKUIJVVPYKD-UHFFFAOYSA-N 314.816 4.919 30 20 DJED C[C@H](C#N)Oc1ccccc1NC1CCC(C(C)(C)C)CC1 1474387019 KLSNRMDYEUEVDP-QQFBHYJXSA-N 300.446 4.994 30 20 DJED CCC(C)(C)C(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C 1523479336 WSTQMXKXBIOFOT-QWRGUYRKSA-N 304.459 4.680 30 20 DJED C[C@H]1CCCN(C(=O)Nc2sccc2C#N)c2ccccc21 1563024513 MRLNKCYXOQJNJT-LBPRGKRZSA-N 311.410 4.556 30 20 DJED CCCCN(Cc1ccc(C#N)s1)Cc1ccccc1F 1652423625 HKEDUGSFWNVPAB-UHFFFAOYSA-N 302.418 4.561 30 20 DJED CC(C)[C@@H]1CCCCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 1657862583 UCDCYFNRDAZIJH-INIZCTEOSA-N 319.836 4.644 30 20 DJED C[C@H]1CC[C@H](c2ccccc2)N(Cc2ccc(CC#N)cc2)C1 1658597743 PABKPRCETSZLAG-LAUBAEHRSA-N 304.437 4.726 30 20 DJED CN(Cc1cccc(-c2ccc(Cl)cc2)c1)CC(C)(C)C#N 1659287249 YCZQXRJSLZWETG-UHFFFAOYSA-N 312.844 4.989 30 20 DJED CC1(C)CN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC(C)(C)C1 1665386068 QOVNLZXSIUWVAY-UHFFFAOYSA-N 319.836 4.502 30 20 DJED CC[C@H]1CCCCCC1=NNc1ccc(Cl)c(C(=O)O)c1 1776034346 BLFREFLOFPZAPL-NSHDSACASA-N 308.809 4.796 30 20 DJED CC(=NNc1cccc(C(=O)O)c1C)c1cc2ccccc2s1 1776087825 YXBXOJDWVBPYHI-UHFFFAOYSA-N 324.405 4.744 30 20 DJED CC[C@H](C)c1ccc(C(=O)/C=C/c2ccc(C(=O)O)c(O)c2)cc1 1776697698 NHJCNQWPFPXVJX-KKNAONHISA-N 324.376 4.500 30 20 DJED CCc1cccc(/C=C2\CCCc3cc(C(=O)O)ccc3C2=O)c1 1776974776 ILEYCQOAKMAOPL-SFQUDFHCSA-N 320.388 4.550 30 20 DJED N#Cc1ccc(CN(CCc2ccccc2)C2CCCC2)cc1 63754903 ZQUKGNCPDFZRLI-UHFFFAOYSA-N 304.437 4.546 30 20 DJED N#Cc1ccc(OCc2cccc(C(F)(F)F)c2)c(Cl)c1 70137921 XFPFQCJVUMFJLR-UHFFFAOYSA-N 311.690 4.809 30 20 DJED CC(C)c1ccc(NC(=O)c2cccc(SCC#N)c2)cc1 79380957 KBNUYELJXXKDIV-UHFFFAOYSA-N 310.422 4.678 30 20 DJED CCOc1ccc(C2=CCN(CCCC(C)(C)C#N)CC2)cc1 91813572 KLGGTQNMLGYZSQ-UHFFFAOYSA-N 312.457 4.504 30 20 DJED C[C@@H](Cc1ccccc1C(F)(F)F)NCC(C)(C)CCC#N 181147245 DYYYNMLYPJEDNT-ZDUSSCGKSA-N 312.379 4.556 30 20 DJED CCCCCCCCCC(=O)Nc1ccccc1C[S@@](C)=O 185950440 KLOFCSPLPZEGRE-JOCHJYFZSA-N 323.502 4.644 30 20 DJED C=CC[C@@H](C(=O)Nc1cncc(Cl)c1Cl)c1ccccc1 189008162 OPCKLIKDIOZVKH-GFCCVEGCSA-N 321.207 4.687 30 20 DJED N#Cc1cccc(CNCc2cc(Cl)cc(C(F)(F)F)c2)c1 189035105 LIESDZDGVCDEQQ-UHFFFAOYSA-N 324.733 4.520 30 20 DJED C=C[C@@](C)(CC)C(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C 189087682 GFMQBWDUTSCRMK-DYVFJYSZSA-N 308.491 4.697 30 20 DJED Cc1cc(O)c(C(C)C)cc1NC(=O)Nc1ccc(CC#N)cc1 189707331 DJANWTZLDSAPTJ-UHFFFAOYSA-N 323.396 4.534 30 20 DJED N#CCCCOC(=O)c1ccccc1SCc1cccs1 194481528 QTTVXIYNGOQNMX-UHFFFAOYSA-N 317.435 4.501 30 20 DJED Cc1ccc(NC(=O)c2ccccc2SCC#N)c(Cl)c1 198496703 OCUHJXBGMXIXIV-UHFFFAOYSA-N 316.813 4.516 30 20 DJED N#CCCCCNCc1ccc(Oc2cc(F)cc(F)c2)cc1 237710429 SDGUEBGQTJNRGQ-UHFFFAOYSA-N 316.351 4.541 30 20 DJED CC(C)[C@H](C)N(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 264616251 NSMOJOMONZGSJJ-KBPBESRZSA-N 319.474 4.589 30 20 DJED O/C(=N/[C@@H]1CCCC[C@H]1c1ccccc1)c1ncoc1C1CC1 328840678 OIXUXSDNTZWMLC-JKSUJKDBSA-N 310.397 4.583 30 20 DJED C=CCC[C@H](N[C@@H]1CCOc2c(F)ccc(F)c21)c1ccco1 361187404 IOBVKXSXRYJNSY-LSDHHAIUSA-N 319.351 4.679 30 20 DJED N#CCCSCCCCOc1ccccc1C(F)(F)F 413011353 IZZWRIZSUYPGIB-UHFFFAOYSA-N 303.349 4.511 30 20 DJED Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCc1ccc(C#N)s1 421892170 WJNNKCLTLHXVSY-GOSISDBHSA-N 321.449 4.577 30 20 DJED CC1=C(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CCC(C)(C)C1 425109238 MBXBNXRXWXANSF-HNNXBMFYSA-N 310.441 4.604 30 20 DJED CC(C)(C#N)CC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 429669152 SZMLAEYYPMGPSK-UHFFFAOYSA-N 318.376 4.978 30 20 DJED CC[C@H](N[C@H](c1ccc(OC)cc1)C1CC1)c1ccc(C#N)cc1 447539880 HZNDKEWQDAROOZ-SFTDATJTSA-N 320.436 4.759 30 20 DJED C=CC[C@H](CC)NC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 466540570 KUAHDAQYXYXFHT-LSDHHAIUSA-N 313.363 4.670 30 20 DJED CCN(C(=O)C[C@@H](CC#N)c1ccccc1)c1cc(C)cc(C)c1 474785626 MFDNZTKGMNUULK-LJQANCHMSA-N 320.436 4.744 30 20 DJED C[C@H](c1ccc(C#N)cc1)N(C)Cc1ccccc1C(F)(F)F 507255104 YNZZTNGYJBBPNG-CYBMUJFWSA-N 318.342 4.770 30 20 DJED Cc1c(C#N)cccc1C(=O)N(CC(C)(C)C)c1ccccc1 509344824 ONDPHCBRDDDSKT-UHFFFAOYSA-N 306.409 4.560 30 20 DJED CCN(C(=O)CCC1CCCCC1)[C@@H](C)c1ccc(C#N)cc1 509604944 XLBWWXIJRVGSFP-INIZCTEOSA-N 312.457 4.828 30 20 DJED C[C@H](CCc1c(F)cccc1F)N[C@H](C)c1ccc(C#N)cc1 510654490 YGJBXHIHWWVACK-ZIAGYGMSSA-N 314.379 4.508 30 20 DJED N#Cc1ccc(N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)cn1 517396551 HJFURCDHLULZFQ-MRXNPFEDSA-N 317.314 4.535 30 20 DJED CCC(C#N)(CC)C(=O)Nc1ccc(COc2ccccc2)cc1 528962749 IRLIXUYZSZLRNK-UHFFFAOYSA-N 322.408 4.534 30 20 DJED C=CCN(C(=O)c1ccc(-c2cccs2)o1)c1ccccc1 541186464 BYNFBZOEYSZBEO-UHFFFAOYSA-N 309.390 4.841 30 20 DJED C=C[C@](C)(CC)C(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 558117502 XPKAHFJAGBTVPD-NVXWUHKLSA-N 323.889 4.635 30 20 DJED CC[C@@H](C)c1ccc([C@H](NCc2ccc(C#N)cn2)C(C)C)cc1 569822848 VPUINAPZZXSMOJ-IIBYNOLFSA-N 321.468 4.954 30 20 DJED CC(C)(CCC#N)CNC(=O)C(C)(C)c1ccc2ccccc2c1 588770474 UOSRLIGKASZKPW-UHFFFAOYSA-N 322.452 4.564 30 20 DJED CC[C@@H](C#N)c1ccc(-c2cccc(CO[C@@H]3CCOC3)c2)cc1 593954921 UDZJDWDHEPJLDP-LAUBAEHRSA-N 321.420 4.676 30 20 DJED C[C@@H]1CCCC[C@H]1CC(=O)Nc1sc2c(c1C#N)CCCC2 604446076 USNFSDDEAQHVJG-OLZOCXBDSA-N 316.470 4.653 30 20 DJED CCN(C(=O)[C@H](C)c1cccc(C)c1)[C@@H](C)c1ccc(C#N)cc1 610039036 SPGIFCBXKYDCOP-SJORKVTESA-N 320.436 4.580 30 20 DJED CCc1cccc(CC)c1NC(=O)N[C@@H](C)c1cccc(C#N)c1 610317448 KLLXSFAVJPQDFX-AWEZNQCLSA-N 321.424 4.566 30 20 DJED C[C@@H](CC(=O)N[C@@H](CCC#N)c1ccccc1)CC(C)(C)C 610976275 HHHWNJXMFPBBEU-RDJZCZTQSA-N 300.446 4.610 30 20 DJED Cc1ncc([C@@H](C)Nc2ccc(C(F)(F)F)c(C#N)c2)s1 618579306 NRSIEKIMVZLVCF-MRVPVSSYSA-N 311.332 4.515 30 20 DJED C#Cc1cccc(Nc2nc(-c3ccc4c(c3)COC4)cs2)c1 727462287 CCONVHBTWDZNBM-UHFFFAOYSA-N 318.401 4.565 30 20 DJED C[C@@H](SCc1ccc(OCC#N)cc1)c1ccc(F)cc1 731158953 ZGTDCDSNGFSSCT-CYBMUJFWSA-N 301.386 4.722 30 20 DJED Cc1cc(F)ccc1C(=O)/C=C\c1cccc(OC(F)F)c1 731320751 YTFKPFFXBXSMMY-YVMONPNESA-N 306.283 4.632 30 20 DJED Cc1ccc(/C=C\C(=O)c2ccccc2OC(F)F)cc1F 731488510 IKLFFQPSAIIMAI-HJWRWDBZSA-N 306.283 4.632 30 20 DJED Cc1csc([C@H](C#N)C(=O)[C@H](CC2CCCCC2)C(C)C)n1 734704676 VUSSHOZHGDBSJN-HZPDHXFCSA-N 318.486 4.870 30 20 DJED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)CC(F)(F)C(F)F 736621299 UJLVJBOVJYMNEL-MRVPVSSYSA-N 317.248 4.599 30 20 DJED Cc1cc(C)cc(C(=O)/C=C/c2cnc3ccc(Cl)cn23)c1 737444295 OJIJEXKKJDXYKW-SNAWJCMRSA-N 310.784 4.501 30 20 DJED COc1ccc(C(=O)/C=C\c2cc3cc(F)ccc3o2)c(F)c1 741852533 NPXWLNPOJHCQHT-XQRVVYSFSA-N 314.287 4.616 30 20 DJED C[C@H](Nc1nc2ccccc2cc1C#N)c1c(F)cccc1F 750016582 ANBWGEWJFLMUJZ-NSHDSACASA-N 309.319 4.558 30 20 DJED C=CCN(Cc1ccc(Cl)s1)Cc1cccnc1Cl 750852536 PDOMQXSBFGMDSP-UHFFFAOYSA-N 313.253 4.638 30 20 DJED CC(=NN[C@@H](C)c1ccccc1)c1sc(C(C)C)nc1C 751130447 LIBCIIVOKVGNQF-LBPRGKRZSA-N 301.459 4.650 30 20 DJED O=C(/C=C/c1cc2cc(F)ccc2o1)c1cc(F)ccc1F 757474888 MMNZTJXPJHGTHE-HWKANZROSA-N 302.251 4.746 30 20 DJED CC(=NNc1ccc(Cl)cc1Cl)c1cnc(C)s1 761250347 NVDDGZTWYGCQDM-UHFFFAOYSA-N 300.214 4.594 30 20 DJED C(=NOCc1nc(C2CCCCC2)cs1)c1cccs1 766684190 KUNXBTWTCGCVHE-UHFFFAOYSA-N 306.456 4.803 30 20 DJED CC(C)(C#N)CCCCOC(=O)c1occc1-c1ccccc1 768417981 DUBSSDPCRUPKCS-UHFFFAOYSA-N 311.381 4.823 30 20 DJED CC(=NNc1c(F)cccc1Cl)c1ccc(C(C)(C)O)cc1 769828526 HDGGLXPDXRRFBL-UHFFFAOYSA-N 320.795 4.543 30 20 DJED CCCCCCCCC/C=C/C(=O)N1CCc2ncsc2C1 782925699 KAYRTUCRPIIFAM-ZHACJKMWSA-N 320.502 4.725 30 20 DJED C[C@]1(c2ccccc2)CC[C@H](Nc2ccc(F)cc2OCC#N)C1 783661146 OIRQURCORNNQPK-PXNSSMCTSA-N 324.399 4.650 30 20 DJED C/C(=C\C(=O)OCCCC(C)(C)C#N)c1cccc(Cl)c1 784036022 BHGYQNHLTSRNRX-JLHYYAGUSA-N 305.805 4.616 30 20 DJED O=C(/C=C/c1cccc(C(=O)O)c1Cl)c1ccccc1Cl 787168842 YAJJBXOCTCGSLY-CMDGGOBGSA-N 321.159 4.588 30 20 DJED C#CCC1(C(=O)Nc2ccc3c(cnn3C(C)C)c2)CCCCC1 788452377 ZQZHDYOAMCSWLU-UHFFFAOYSA-N 323.440 4.530 30 20 DJED CC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1cccc(Cl)c1O 806141059 FLBSHPDJXCKEJK-SJKOYZFVSA-N 314.816 4.719 30 20 DJED C[C@@H](NCCC1(C#N)CCCCC1)c1nc2ccccc2s1 839552455 IURFJFAXTOAWAX-CQSZACIVSA-N 313.470 4.811 30 20 DJED CC(C)=CCC[C@H](C)CC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 842676926 QOHIHTIVTWYKPY-GJZGRUSLSA-N 309.413 4.512 30 20 DJED C#CCC1(c2nc(-c3cccc(Cl)c3)no2)CCCCC1 904289643 HWNFREOLVRNCAH-UHFFFAOYSA-N 300.789 4.615 30 20 DJED CCCCCCCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 919867225 GVDKUEKBNSUVNS-UHFFFAOYSA-N 320.433 4.692 30 20 DJED Oc1c(Cl)cc(Cl)cc1C=Nc1cccc2ncccc12 920942333 YUDHXXFJLUOHQA-UHFFFAOYSA-N 317.175 4.998 30 20 DJED CCNc1ccc(C#N)cc1NC(=O)C[C@H]1CCCCC1(C)C 1150797181 JKOYTYLXVKDVHR-OAHLLOKOSA-N 313.445 4.535 30 20 DJED CCCN(CCc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 1167206343 OQXNSZZISARIET-OAQYLSRUSA-N 304.437 4.500 30 20 DJED CC[C@@H](CCc1ccccc1)Nc1nc(C)c(C#N)cc1Cl 1187044731 NDASYASVMMXUKS-INIZCTEOSA-N 313.832 4.738 30 20 DJED COc1cc(C#N)ccc1CN(C(C)C)[C@H](C)c1ccccc1 1194816929 MUDBGTVMPRIMFA-MRXNPFEDSA-N 308.425 4.538 30 20 DJED Cc1c(C#N)cccc1C(=O)Nc1cccc(-c2ccccc2)c1 1271706699 BUYVSGVTAKBLNH-UHFFFAOYSA-N 312.372 4.786 30 20 DJED COc1ccc(CSCc2ccc(F)c(C#N)c2)cc1Cl 1307338259 JPOOOKDXCBOKOS-UHFFFAOYSA-N 321.804 4.793 30 20 DJED CCN(Cc1ccc(C#N)c(C)c1)Cc1ccc(Cl)s1 1308648762 DKAFDISTTJTTPP-UHFFFAOYSA-N 304.846 4.604 30 20 DJED COc1ccc2c(c1)C(=O)/C(=C/c1cccc3ccccc13)CO2 1317757357 UAEPNRYBJZHANL-LFIBNONCSA-N 316.356 4.507 30 20 DJED C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCC(C)(C)C3)c2C#N)C1 1348101840 ZXEAATRUEYRKOA-NWDGAFQWSA-N 316.470 4.509 30 20 DJED CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)c(Cl)c1 1358232742 VJPXFORHZAXIHN-GOEBONIOSA-N 318.848 4.546 30 20 DJED Cc1cccc(-c2cccc(CNc3nccc(C)c3C#N)c2)c1 1458151430 OLWQLOXPLAYMOU-UHFFFAOYSA-N 313.404 4.849 30 20 DJED Cc1cc(S[C@H](C)C(=O)c2cccc(Cl)c2)ccc1C#N 1459143803 VNICMHOOWRBKQF-GFCCVEGCSA-N 315.825 4.884 30 20 DJED CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)CC1(C#N)CCCCC1 1528912393 OGSUIEFECLDSCL-KURKYZTESA-N 318.505 4.675 30 20 DJED CC(C)c1ccc2c(c1)[C@H](NC(=O)CC1(C#N)CCCCC1)CC2 1539381208 KDOYMLITGVTBMI-LJQANCHMSA-N 324.468 4.778 30 20 DJED CC(C)N(Cc1cccc(Cl)c1)Cc1cccc(F)c1C#N 1560638850 MHUUGDNWMALKBO-UHFFFAOYSA-N 316.807 4.761 30 20 DJED C=C(CNC(=O)N[C@@H]1CCC[C@H]1CCC(C)C)c1ccccc1 1563924973 MOYKJAYRSJMOGQ-RBUKOAKNSA-N 314.473 4.604 30 20 DJED CCC[C@H](CC1CCCCC1)C(=O)O[C@H]1CCC[C@@H](C#N)C1 1583559874 YNBYQIBWZKLUDQ-KURKYZTESA-N 305.462 4.999 30 20 DJED N#Cc1cccc(SCc2ccccc2Br)c1 1640957345 OUSIAGKVMRZLQX-UHFFFAOYSA-N 304.212 4.613 30 20 DJED CC[C@H](c1ccccc1)N(Cc1ccc(OCC#N)cc1)C(C)C 1643936357 RPNDDGOKSNFWTC-OAQYLSRUSA-N 322.452 4.951 30 20 DJED CCc1ccc([C@@H](NCc2cccc(C#N)c2F)C(C)C)cc1 1644881238 KXEYUKMWFORMHJ-FQEVSTJZSA-N 310.416 4.747 30 20 DJED N#Cc1ccc(CCOc2c(Cl)ccc3ccccc23)cc1 1653020009 ZTJCCDMVOBYIRM-UHFFFAOYSA-N 307.780 4.986 30 20 DJED CC(C)[C@H]1CCCCCN1Cc1cc(Cl)ccc1OCC#N 1653043828 DNMSYNDKEVWXFR-QGZVFWFLSA-N 320.864 4.643 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)CCCc1ccc(Cl)cc1 1653972505 HTRXDVSVACBZRZ-OAHLLOKOSA-N 312.844 4.837 30 20 DJED C#Cc1cccc(NC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c1 110082208 PQFLHKFFJJCYQV-MRXNPFEDSA-N 318.420 4.501 30 20 DJED CCCCCCCC(=O)N(C)[C@@H]1CCCc2nc(C)sc21 110525726 QPBFHFSHPIEWNC-OAHLLOKOSA-N 308.491 4.648 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N(C)[C@H](c1ccccc1)C(C)C 112737039 FHEASECPLMWOJM-IBGZPJMESA-N 321.424 4.728 30 20 DJED CCCCCCCCCC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C 133678994 JOKDGIDNIWRORU-KRWDZBQOSA-N 319.493 4.831 30 20 DJED CC(C)(C#N)CCCNc1ccc(F)cc1OCC(F)(F)F 153981003 YAVKCRGFXNNCRD-UHFFFAOYSA-N 318.314 4.509 30 20 DJED C[C@H](SCc1cc(C#N)ccc1F)c1nc2ccccc2o1 183466048 NPSVKPQXEBMQNC-NSHDSACASA-N 312.369 4.833 30 20 DJED CC[C@H](NCCCC(C)(C)C#N)c1nc(C(F)(F)F)cs1 185923465 MEUWBNMQTDIVDJ-JTQLQIEISA-N 319.396 4.533 30 20 DJED C=C(C)[C@H](NCc1ccc(COC)cc1)c1ccc(F)c(F)c1 187372885 SZRBYJCTKUPGJX-IBGZPJMESA-N 317.379 4.518 30 20 DJED C=Cc1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 192081383 KIKNXKBFPBLTFO-AWEZNQCLSA-N 322.433 4.834 30 20 DJED COc1ccc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)cc1 206089506 HYKJHWBQKGLYQD-YFHOEESVSA-N 306.283 4.610 30 20 DJED CCC1CCC(N(C)c2ccc(C#N)c(Br)c2)CC1 228180366 AITLAYRLWUGWLL-UHFFFAOYSA-N 321.262 4.726 30 20 DJED CCCCCCCC(=O)N[C@H](c1ccccc1)c1ccccn1 248240663 DUZKHXIIRRIXJT-HXUWFJFHSA-N 310.441 4.648 30 20 DJED N#CC1(CCCNc2ccc(-c3ccccc3)cc2)CCOCC1 280966506 HLTCDCYDTHDALQ-UHFFFAOYSA-N 320.436 4.866 30 20 DJED CCc1cccc2c(C3CCN([C@H]4CC[C@@H](C#N)C4)CC3)c[nH]c12 293384189 GLYHHBZSQUOZLT-QAPCUYQASA-N 321.468 4.602 30 20 DJED N#Cc1cc(Cl)cc(OCc2ccc(Br)cc2)c1 310879572 HWAQBZPUWVMZNT-UHFFFAOYSA-N 322.589 4.553 30 20 DJED C[C@@H](CC1CCCC1)/C(O)=N/[C@@H]1CCC(O)=N[C@H]1C(C)(C)C 329257541 DYVIJOILOJCHFX-JGGQBBKZSA-N 308.466 4.693 30 20 DJED CCc1noc(CC)c1C/C(O)=N/[C@@H]1CCCCC12CCCC2 329721017 DTXIWCZGUJHFQP-QGZVFWFLSA-N 318.461 4.801 30 20 DJED Cc1cc(C)c(N/C(O)=N/[C@@H](C)c2cc(C)sc2C)c(C)n1 331238995 OECHGDBQCRBEJP-LBPRGKRZSA-N 317.458 4.772 30 20 DJED C=C[C@@H](CC(=O)N[C@H]1CCCc2sccc21)c1ccccc1 341303565 DILCHCCSCKXTQU-YOEHRIQHSA-N 311.450 4.602 30 20 DJED C=CCC[C@@H](N[C@H](C)c1ccc(OC)c(O)c1)c1ccccc1 353250713 GGPZSOORWXHPLQ-CRAIPNDOSA-N 311.425 4.759 30 20 DJED CC[C@H](CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)c1ccccc1 425123087 DGDKXDTVIDGJAM-FUHWJXTLSA-N 320.436 4.662 30 20 DJED CC(C)[C@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)c1ccccc1 425631655 BSHRYVQGJPAASG-JXFKEZNVSA-N 320.436 4.517 30 20 DJED CCSc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 426319768 XYMJAKBTICTHHL-HXUWFJFHSA-N 322.477 4.837 30 20 DJED Cc1ccc(F)cc1NC(=O)c1sc2ccc(C#N)cc2c1C 429907899 KJOPNUUXGMAYPU-UHFFFAOYSA-N 324.380 4.781 30 20 DJED C=CCCC1(C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc23)CC1 431138298 LVXVTYODDZVPJW-RBUKOAKNSA-N 305.421 4.558 30 20 DJED C=C(C)COc1cccc(NC(=O)N2CCC[C@](C)(CC)C2)c1 438124926 GZKUQGMFOPJFAS-IBGZPJMESA-N 316.445 4.686 30 20 DJED C=CCOc1cccc(CN[C@H](C)c2cc3ccccc3o2)c1 443006274 IBLFCHOFHGQPAE-OAHLLOKOSA-N 307.393 4.848 30 20 DJED C=CC[C@H](CC)NC(=O)CCOc1ccccc1-c1ccccc1 466529050 JOJOASKSRKPGTG-SFHVURJKSA-N 323.436 4.593 30 20 DJED CC#CCCCC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 467434289 UQVCAFPLLRROTB-UHFFFAOYSA-N 323.411 4.548 30 20 DJED CC(C)Oc1ccc(-c2cccc([C@H](C)N(C)CC#N)c2)cc1 470157841 SNMVQNPIRYKMJZ-INIZCTEOSA-N 308.425 4.657 30 20 DJED C=CCCOCCCCC(=O)Nc1ccc(C2CC2)c(C)c1 475865061 SRCOZIAFNCUIMF-UHFFFAOYSA-N 301.430 4.574 30 20 DJED C=CCC1(C(=O)N(C)CCc2cccc3ccccc23)CCC1 480036848 INAKYYPPEQOXPN-UHFFFAOYSA-N 307.437 4.587 30 20 DJED CCN(Cc1cc2ccc(F)cc2[nH]1)[C@H](C)c1ccc(C#N)cc1 488291113 HBSXPHPZONOTSZ-CQSZACIVSA-N 321.399 4.762 30 20 DJED C=CCCO[C@H](C)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C 499727751 VEWAUCHPBSNEDO-LSDHHAIUSA-N 321.486 4.805 30 20 DJED N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2-c2ccccc2)o1 504955463 MMFJDGFLRRKOAC-UHFFFAOYSA-N 322.751 4.724 30 20 DJED C[C@@H](C(=O)N[C@@H](C#N)C1CCCCC1)c1ccc2ccccc2c1 506538512 NKSJJQVQNLNKPE-QRWLVFNGSA-N 320.436 4.532 30 20 DJED C=CCOc1ccc(CN(C)[C@H](C)c2cccs2)cc1OC 507433506 LVWXBQMNBLJMBK-CQSZACIVSA-N 317.454 4.515 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Cc1ccc(Cl)s1 510787206 LWLBXJMBOFKEBJ-UHFFFAOYSA-N 319.857 4.549 30 20 DJED C=CCC1(C(=O)N2CC(C)(C)[C@@H]2c2ccncc2)CCCCC1 521440000 PWKTWUPFFSXIAK-KRWDZBQOSA-N 312.457 4.518 30 20 DJED Cc1ccccc1-c1cnc(COc2ccc(C#N)c(Cl)c2)o1 525877354 QGBASBXAWIOUMG-UHFFFAOYSA-N 324.767 4.754 30 20 DJED CC(C)[C@H](NCc1ccc(C#N)cc1F)c1ccccc1Cl 533445810 KFOCQAGNJOPGEV-SFHVURJKSA-N 316.807 4.838 30 20 DJED CC(C)c1ccoc1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 551588575 YLXZQLVLSXTFOC-UHFFFAOYSA-N 322.286 4.546 30 20 DJED CC(C)c1ccc(C2(CNC[C@H](C#N)CCC#N)CCCC2)cc1 554486656 IBNSRWJFAYWQRC-SFHVURJKSA-N 323.484 4.655 30 20 DJED CCCCN(C(=O)CCCCCC#N)[C@@H](C)c1ccc(C)o1 588328332 YHNHSNIRQPGLRA-INIZCTEOSA-N 304.434 4.752 30 20 DJED N#CC1(CC(=O)Nc2cccc(CC(F)(F)F)c2)CCCCC1 597309723 JQRIYGHWKWRXKY-UHFFFAOYSA-N 324.346 4.594 30 20 DJED C=CCCCCCN(C)Cc1nc(-c2cccs2)oc1C 606902697 RXPKSIKHIHUOFJ-UHFFFAOYSA-N 304.459 4.890 30 20 DJED C[C@@H](NCCc1c[nH]c2cc(Cl)ccc12)c1ccc(C#N)cc1 610341616 DQSSGPNECNLRLP-CYBMUJFWSA-N 323.827 4.586 30 20 DJED C[C@H](NCCc1c[nH]c2cc(Cl)ccc12)c1ccc(C#N)cc1 610341619 DQSSGPNECNLRLP-ZDUSSCGKSA-N 323.827 4.586 30 20 DJED Cc1ccc(C)c2c1CCC[C@@H]2N[C@@H](C)c1cccc(C#N)c1 611387256 ITKLDZIMJZDTAZ-JXFKEZNVSA-N 304.437 4.903 30 20 DJED CCCCCc1ccc(NC(=O)N2CCC[C@](C)(C#N)C2)cc1 612294411 PKMBEIODVYITRD-LJQANCHMSA-N 313.445 4.577 30 20 DJED CC(C)(C#N)CCSCc1ccn(-c2ccc(Cl)cc2)n1 616312173 VUVZRIROPDKJDK-UHFFFAOYSA-N 319.861 4.699 30 20 DJED Cc1cc(C)c([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1C 618805323 NQBIAMWETCXVOE-IERDGZPVSA-N 304.437 4.822 30 20 DJED CSc1ccc(C(C)=NNc2cccc3cnccc23)cc1 728431746 BFOMUZYGMRACAM-UHFFFAOYSA-N 307.422 4.793 30 20 DJED Cc1ccccc1[C@@H](C)CC(=O)O[C@@H](C)c1cccc(C#N)c1 734967318 ZSEXFMMOEFACSM-HOTGVXAUSA-N 307.393 4.665 30 20 DJED Oc1ccc2ccccc2c1/C=N\CCOC1CCCCCC1 735619628 OMTASIPBCAIUGM-QNGOZBTKSA-N 311.425 4.704 30 20 DJED CCOc1ccc(Cl)cc1C(C)=NNc1cccc(OC)c1 735972383 AAUJPYQTPCPSMB-UHFFFAOYSA-N 318.804 4.583 30 20 DJED CC1(C)Cc2cccc(/C=C/C(=O)c3ccc(F)cc3F)c2O1 737445036 WXAVUZNDSHGPSJ-RMKNXTFCSA-N 314.331 4.574 30 20 DJED COc1ccc(Cl)cc1C(=O)/C=C\c1nccc2ccccc12 740765068 OPNCNZMBCKTXDG-FPLPWBNLSA-N 323.779 4.793 30 20 DJED O=C(/C=C\c1ccc(OCC(F)F)cc1)c1cccc(Cl)c1 741840446 VDVUMXSNEYXMLW-TWGQIWQCSA-N 322.738 4.880 30 20 DJED COc1ccc(/C=C2/C(=O)c3ccsc3S[C@H]2C)cc1F 742437772 XIKMHWVKGRIFSZ-SZUMLMDFSA-N 320.410 4.656 30 20 DJED Clc1ccc(Br)c(C=NOCc2ccccc2)c1 743434518 RRWNIUYLPKPIHA-UHFFFAOYSA-N 324.605 4.653 30 20 DJED CC1(C)C(=NNc2ccc(Cl)c(Cl)c2)[C@H]2CCCO[C@H]21 743436006 RNYDEINUOBOFQV-QMTHXVAHSA-N 313.228 4.596 30 20 DJED CC(=NNc1ccc(Cl)nc1)c1ccc(C(F)(F)F)cc1 743452016 PVBMKTNHRMLDLZ-UHFFFAOYSA-N 313.710 4.590 30 20 DJED CC(=NNc1c(F)cccc1F)c1sc(C(C)C)nc1C 751133942 SVTRRMVYPIZMQC-UHFFFAOYSA-N 309.385 4.689 30 20 DJED C#CC[C@H](N[C@H](C)c1cc(C)c(OC)cc1C)c1ccccc1 753691113 UVSPAIGCZLPVSU-XLIONFOSSA-N 307.437 4.727 30 20 DJED C#CC[C@H](NCc1ccc(Cl)c(Cl)c1)c1ccccc1 756997567 XSOZUPVDAQDPSV-KRWDZBQOSA-N 304.220 4.848 30 20 DJED C#CC[C@@H](NC(=O)Nc1ccc2ccccc2c1)c1ccccc1 757761841 ORYASBCNJAUXKA-HXUWFJFHSA-N 314.388 4.726 30 20 DJED Cc1cncc(C(=O)/C=C/c2ccc(OC(F)F)c(Cl)c2)c1 767365821 BPSUZALWABGEHQ-DUXPYHPUSA-N 323.726 4.541 30 20 DJED C#CC[C@H](N[C@H]1CCSc2ccc(F)cc21)c1ccccc1 773113632 DIPHKOFMHVKZGV-ROUUACIJSA-N 311.425 4.717 30 20 DJED Cc1cc(C)c(NCc2ccc(N(C)CCC#N)cc2)c(C)c1 779364755 QRYJWPIBVQERAW-UHFFFAOYSA-N 307.441 4.574 30 20 DJED CCc1cccnc1C(C)=NNc1c(Cl)cccc1Cl 779776887 KIRYEEIVPSDTLL-UHFFFAOYSA-N 308.212 4.787 30 20 DJED O=C(O)c1ccc(C(=O)/C=C/c2csc3ccccc23)s1 810236978 CQFPUVYOVMPGFC-AATRIKPKSA-N 314.387 4.557 30 20 DJED CC(C)c1ccc2c(Cl)c(C(=O)N(C)[C@@H](C)C#N)sc2c1 839367430 QWTYDAYDVCTJQN-JTQLQIEISA-N 320.845 4.662 30 20 DJED CCCC(C)=NNc1ncnc2sc(-c3ccccc3)cc12 916311301 AHJQFIXDQMWGQQ-UHFFFAOYSA-N 310.426 4.946 30 20 DJED COCCOc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1 917142810 QQTSHXMPIZRBBX-KPKJPENVSA-N 324.420 4.731 30 20 DJED COc1ccc(C#N)cc1CSc1ncc(-c2ccccc2)o1 1116327221 JVGJLFBIZOKBGD-UHFFFAOYSA-N 322.389 4.514 30 20 DJED Cc1oc(C(C)(C)C)cc1C(=O)[C@@H](C#N)c1nc2ccccc2o1 1122606173 IKWUIOKYPZGHGW-CYBMUJFWSA-N 322.364 4.517 30 20 DJED CCC[C@H](CC)C(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1125028903 ZXRUMKXYJKNLIP-INIZCTEOSA-N 323.440 4.731 30 20 DJED Cc1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)c(F)c1Cl 1126712598 IDZZPZXCOGYPDZ-LLVKDONJSA-N 317.747 4.577 30 20 DJED CCCC[C@@H](C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1129202909 JYFCJRYHWBTQTQ-CYBMUJFWSA-N 302.418 4.500 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1ccc(C)cc1Cl 1190349312 VEPABYGHYCJBEQ-UHFFFAOYSA-N 312.844 4.932 30 20 DJED CC[C@H](OC(=O)c1ccc(C#N)o1)c1c(Cl)cccc1Cl 1265784655 UQPXNDYJJUGYRK-LBPRGKRZSA-N 324.163 4.766 30 20 DJED CCC[C@H]1CCCC[C@H]1CNC(=O)CC1(C#N)CCCCC1 1275984711 XQZAZPWNGIXNGZ-IRXDYDNUSA-N 304.478 4.573 30 20 DJED CC(C)[C@H]1CCCN(c2c(C#N)cnc3c(Cl)cccc23)C1 1307097329 UCENFZIDSXFAFY-ZDUSSCGKSA-N 313.832 4.632 30 20 DJED CCCN(Cc1ccc(Cl)cc1C#N)c1ccccc1F 1307931345 KRLRSEXOXMBXOF-UHFFFAOYSA-N 302.780 4.767 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N[C@H](c1ccccc1C)C(C)C 1310382765 ZYFXTPDFOKATPA-IBGZPJMESA-N 321.424 4.694 30 20 DJED C=CC[C@H](N[C@@H]1CCCc2c1[nH]c1ccccc21)c1ccncc1 1346938024 LWPUBCOQBDKOTP-AZUAARDMSA-N 317.436 4.847 30 20 DJED CC(C)(CNc1cccc(F)c1C#N)c1ccc(F)cc1Cl 1611983889 YPEBGHZREYPPMM-UHFFFAOYSA-N 320.770 4.880 30 20 DJED CCCOc1ccccc1[C@@H](CC(C)C)Nc1ncccc1C#N 1612084669 RASUMOPRBCGBTD-GOSISDBHSA-N 323.440 4.941 30 20 DJED COc1ccccc1CSCc1ccccc1C(C)(C)C#N 1640933813 NQUNPJAKOMALPV-UHFFFAOYSA-N 311.450 4.930 30 20 DJED C[C@@H]1C[C@H](c2ccccc2)CN1c1nc(C(C)(C)C)ccc1C#N 1642262361 HFMUMJVULWVNQN-QAPCUYQASA-N 319.452 4.633 30 20 DJED N#CCC1(CN2CCC(c3cccc4ccccc34)CC2)CC1 1653245466 UWRSWIHMMRCXMB-UHFFFAOYSA-N 304.437 4.713 30 20 DJED C[C@H](Cc1ccc(C(F)(F)F)cc1)Nc1cccc(CC#N)c1 1659236132 MIIWNBFWSDTXSL-CYBMUJFWSA-N 318.342 4.815 30 20 DJED CCCCCCC[C@H](CC(=O)O)NC[C@@H]1CCC[C@@H](CC)C1 1776783366 VEDLTHGWJQCTKQ-KZNAEPCWSA-N 311.510 4.996 30 20 DJED Cc1ccc([C@H](NCc2ccc(C#N)cc2)c2ccccc2)cc1 14933913 NVMHYCPJXWHNCN-JOCHJYFZSA-N 312.416 4.746 30 20 DJED N#Cc1cccc(CSCCOc2ccc(Cl)cc2)c1 58239724 UWNCAUPSIWEDCI-UHFFFAOYSA-N 303.814 4.524 30 20 DJED N#CCCCOc1cccc(/C=C/c2nc3ccccc3o2)c1 102598563 YRFCAFODZZDNCA-ZHACJKMWSA-N 304.349 4.681 30 20 DJED CCCCCCCC(=O)N[C@H]1CCOc2c(Cl)cccc21 105409935 BQEYQPURVJGYGK-HNNXBMFYSA-N 309.837 4.640 30 20 DJED CC(C)OCc1cccc(NCc2ccc(O[C@H](C)C#N)cc2)c1 114764995 KYIPEOUDYBFBOY-MRXNPFEDSA-N 324.424 4.515 30 20 DJED CC(C)c1ccc([C@@H](C)CC(=O)[C@H](C#N)c2ccccn2)cc1 121647084 IRBBTMIKUZSECQ-MAUKXSAKSA-N 306.409 4.575 30 20 DJED CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccccc2C)c1 159631756 HFUAXKSZYBYJPE-FUHWJXTLSA-N 308.425 4.527 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1nc(C(C)(C)C)cs1 181719089 WLOHMYLGVORDMY-OLZOCXBDSA-N 313.470 4.724 30 20 DJED C=C[C@](C)(CC)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 188320017 XMMSJRVRWHIWPE-SCLBCKFNSA-N 314.454 4.590 30 20 DJED C=CCOc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl 213150790 DWFAWPAXYSYXHC-UHFFFAOYSA-N 322.191 4.811 30 20 DJED Cc1ccc([C@@H](C)Nc2ccc(C#N)c(Br)c2)s1 228181021 KPVCXZYDSSHYHZ-SNVBAGLBSA-N 321.243 4.864 30 20 DJED CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1ccc(CC#N)cc1 264633408 LDALXMVCOPEAPB-MRXNPFEDSA-N 321.424 4.585 30 20 DJED C#CC[C@@H](NCc1ccc(CSC(F)F)o1)c1ccccc1 270259545 VRHFGIIBEOEFRL-MRXNPFEDSA-N 321.392 4.590 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1cc(C)c(C)cc1Cl 348540820 LUOOQGOELCCNES-UHFFFAOYSA-N 306.837 4.501 30 20 DJED N#CCCC[C@@H](NCc1cc2ccc(F)cc2[nH]1)c1ccccc1 353911817 CYLIWBOIJGRZPK-LJQANCHMSA-N 321.399 4.832 30 20 DJED CSCc1ccccc1NC(=O)C[C@H](CC#N)c1ccccc1 356775669 PXXRKPFALAYDOW-INIZCTEOSA-N 324.449 4.576 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cc2ccccc2s1 436300588 JYLNKOYRHOYGEK-JOQOYGCGSA-N 301.455 4.533 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](CSc2ccccc2)C1 442669382 AYRMPEHNJQYXEC-FUHWJXTLSA-N 322.477 4.733 30 20 DJED C=CC(C)(C)C(=O)Nc1ccc(COCc2ccccc2)cc1 449938541 JZCVHJIZQHYIMA-UHFFFAOYSA-N 309.409 4.554 30 20 DJED C[C@H]1CC=C(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 455584671 IARPSMCOHUVFNQ-UONOGXRCSA-N 314.454 4.766 30 20 DJED C=CCN(CC1CCCCC1)C(=O)N[C@H](CC)c1cccs1 483905002 ISEUFECTIMBBJK-MRXNPFEDSA-N 320.502 4.977 30 20 DJED CCN(Cc1cc2ccc(F)cc2[nH]1)[C@@H](C)c1ccc(C#N)cc1 488291110 HBSXPHPZONOTSZ-AWEZNQCLSA-N 321.399 4.762 30 20 DJED N#Cc1cccc(C(=O)N(c2ccccc2)C2CCCCC2)c1 498087821 JZWMNYKGJWULHQ-UHFFFAOYSA-N 304.393 4.538 30 20 DJED CCCN(Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1OC 508607686 BWACDZNJLWCCOD-INIZCTEOSA-N 308.425 4.540 30 20 DJED CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 510466069 UQMVLLKCYLTDAM-WDSOQIARSA-N 312.457 4.610 30 20 DJED CC(C)Cc1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1 551580921 JERQWQDEJXWIHB-UHFFFAOYSA-N 304.437 4.536 30 20 DJED N#Cc1ccc(CN2CC[C@H](C(F)(F)F)c3ccccc32)s1 560569912 WZHRDHUHZCARDM-AWEZNQCLSA-N 322.355 4.676 30 20 DJED N#CCC1(CSCc2cc(Cl)cc3cccnc23)CC1 596332519 NIEHFYDCUZORAF-UHFFFAOYSA-N 302.830 4.815 30 20 DJED Cc1cccc([C@@H]2CCCN2C(=O)CC2(C#N)CCCCC2)c1 596879608 CHYJFPCMFGQYPT-SFHVURJKSA-N 310.441 4.523 30 20 DJED C[C@@H](Nc1cccc(Br)c1F)c1cccc(C#N)c1 600856530 AEFGFLDYJOHBKE-SNVBAGLBSA-N 319.177 4.633 30 20 DJED C=C(C)CN(CC)C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 606167839 AGGICUCPKVQYNN-ZDUSSCGKSA-N 313.363 4.624 30 20 DJED COc1ccc2ccccc2c1CN(CCC#N)C1CCCC1 609075637 KXMYNZJDXMZMOG-UHFFFAOYSA-N 308.425 4.507 30 20 DJED CCN(C(=O)c1cc2ccc(F)cc2s1)c1ccc(C#N)cc1 611073383 GUDJJRXIXDXYRV-UHFFFAOYSA-N 324.380 4.579 30 20 DJED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cnc2ccsc2c1 618805119 CZEXYQDUKFZZRB-PXAZEXFGSA-N 319.433 4.506 30 20 DJED C=CCC[C@@H](NC[C@H](Cc1ccccc1)C(F)(F)F)C1CC1 685660137 RDASNFLYRZGHOP-DLBZAZTESA-N 311.391 4.742 30 20 DJED O=C(/C=C\c1ccc(OC(F)F)c(Cl)c1)c1ccccc1 731488840 RGYXANNRSROSER-VURMDHGXSA-N 308.711 4.838 30 20 DJED CCN(CC)c1ccc(/C=C/C(=O)c2cccs2)cc1F 739427571 VGPURRRIVAOQCH-CSKARUKUSA-N 303.402 4.630 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(SC)c(F)c2)cc1F 741846586 HDIPXDYFBDRDPH-ZZXKWVIFSA-N 320.360 4.591 30 20 DJED CC(=NNc1cccc2ccccc12)c1ccc2c(c1)COC2 743436910 QELFIRQLYXFEER-UHFFFAOYSA-N 302.377 4.706 30 20 DJED CCCCCC[C@@H](C)NN=C(C)c1c(C)nn(C(C)C)c1C 743451096 ZPVXNDPSEBWSRC-CQSZACIVSA-N 306.498 4.753 30 20 DJED COc1ccc(C(=O)/C=C\c2cc(C#N)cs2)c2ccccc12 748441042 VCTBUSTVOXOZNM-VURMDHGXSA-N 319.385 4.678 30 20 DJED Cc1cc2oc(=O)cc(CSc3cccc(C#N)c3)c2cc1C 751478436 IJTGBMKYDKWVDD-UHFFFAOYSA-N 321.401 4.574 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2csc(Cl)c2Cl)cc1 761477385 XBFXEFMWOIAJKF-WAYWQWQTSA-N 308.189 4.823 30 20 DJED CSc1ccc(C(=O)/C=C/c2ccc(C#N)cc2)c(Cl)c1 765614752 ZUFRLBMNIIFIMQ-RMKNXTFCSA-N 313.809 4.830 30 20 DJED CC(=O)Nc1ccc(C(=O)/C=C\c2ccc(C)c(Cl)c2)cc1 766488903 AFDBWQWIZFIHNF-YHYXMXQVSA-N 313.784 4.503 30 20 DJED Cc1cncc(C(=O)/C=C/c2ccc(SC(F)F)cc2)c1 767367126 LMBRLCNZNOTHCS-QPJJXVBHSA-N 305.349 4.601 30 20 DJED CCCCC[C@H]1CCCN1Cc1ccc(O[C@H](C)C#N)cc1 770352993 YOXGTMLERYLJAG-AEFFLSMTSA-N 300.446 4.522 30 20 DJED Cc1cc2ccccc2nc1NN=C1CCCNc2ccccc21 774399666 QKXKQYYHDUFOAG-UHFFFAOYSA-N 316.408 4.565 30 20 DJED C=CC[C@H](C(=O)Nc1ccc(Cl)cc1OC)c1ccccc1 777795516 YIQFIHZWAHUIEH-HNNXBMFYSA-N 315.800 4.647 30 20 DJED C[C@@H](C#N)Oc1ccccc1N[C@@H]1CCCCc2ccccc21 779713790 ZJXGLEHQPKVZFJ-MAUKXSAKSA-N 306.409 4.857 30 20 DJED O=C(/C=C\c1c(Cl)nc2cc(Cl)ccn12)c1ccsc1 794708030 PUTPSSAJHHWXKO-UPHRSURJSA-N 323.204 4.599 30 20 DJED FC(F)(F)CON=CC(Cc1ccccc1)Cc1ccccc1 799112748 ZDQYUJNUJWQUIB-UHFFFAOYSA-N 321.342 4.653 30 20 DJED N#Cc1ccccc1C(=O)/C=C\c1cccc(-c2ccccn2)c1 799498752 MHXMRLPPZAAKRP-QXMHVHEDSA-N 310.356 4.516 30 20 DJED N#C[C@@H]1CCCC(=NNc2c(Cl)cc(F)cc2Cl)C1 814891425 UNAZTYHNPRURFH-MRVPVSSYSA-N 300.164 4.614 30 20 DJED CCC[C@@H]1CCC[C@H]1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 835042662 WPPFFEYEGUUNFW-OIISXLGYSA-N 306.409 4.627 30 20 DJED C=CC[C@@H](NCc1cccc(OC(C)(C)C)c1)c1ccncc1 865463643 CBZAULKMOJEBPJ-LJQANCHMSA-N 310.441 4.666 30 20 DJED CC[C@@H](Nc1cccc2c1OCC[C@@H]2OC)c1cccc(C#N)c1 902976678 URNQTGFMGZVWOY-MJGOQNOKSA-N 322.408 4.591 30 20 DJED Fc1ccc(NN=Cc2c(Cl)cccc2Cl)c(F)c1 916247974 AYYJHRADZNWYJH-UHFFFAOYSA-N 301.123 4.718 30 20 DJED Cc1ccccc1C1(CNc2ccc(C#N)c(C)n2)CCCCC1 1162366955 NYNDHLVWFKIASJ-UHFFFAOYSA-N 319.452 4.884 30 20 DJED N#CC1(CNCc2ccc(-c3ccccc3Cl)s2)CCC1 1179776249 NRJGNAFMPFUANH-UHFFFAOYSA-N 316.857 4.852 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CCCCC1(C)C 1264802388 ZGTOOOCSVLIJKR-HNNXBMFYSA-N 314.429 4.500 30 20 DJED Cc1nc(Oc2cnc3c(C)cccc3c2)c(Cl)cc1C#N 1307146695 QXTFVJMPTYJWGX-UHFFFAOYSA-N 309.756 4.564 30 20 DJED Cc1sccc1NC(=O)c1ccccc1-c1ccccc1C#N 1462118276 JHEPFQIYVLREGD-UHFFFAOYSA-N 318.401 4.848 30 20 DJED N#Cc1cccc(CNc2nc3c(F)cc(Cl)cc3s2)c1 1472654297 STMXJUKKAJRVRH-UHFFFAOYSA-N 317.776 4.573 30 20 DJED N#CC1(CC(=O)Nc2ccc(-c3ccccc3)cn2)CCCCC1 1520650252 HTZXWZMMCGMLGT-UHFFFAOYSA-N 319.408 4.551 30 20 DJED CCC[C@@](C)(CC)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1539250446 SPYXGGKBDUQMFK-OAHLLOKOSA-N 312.335 4.732 30 20 DJED C=C(Cl)CSc1nc2c(Br)cccc2s1 1559407965 PXSCJXCZIVIRAG-UHFFFAOYSA-N 320.664 4.903 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCC[C@@H](c2ccccc2)C1 1559853430 AZQCQRVCJWGRKM-MRXNPFEDSA-N 310.828 4.591 30 20 DJED C[C@H](Cc1coc2ccccc12)N[C@H]1CCc2cc(C#N)ccc21 1560806520 WMMDYJAVABDGDJ-VLIAUNLRSA-N 316.404 4.513 30 20 DJED Cc1cc(Sc2nc3ccc(F)cc3s2)ccc1C#N 1612516147 FDYGVRVCGIFLMO-UHFFFAOYSA-N 300.383 4.767 30 20 DJED CCCC[C@@H](CCC)NC(=O)Nc1ccc(C#N)cc1Cl 1623230138 DJGPXPOSXCEIBD-CYBMUJFWSA-N 307.825 4.692 30 20 DJED CCCN(c1ccc(Cl)c(C#N)n1)[C@@H](CC)c1ccccc1 1639356665 NEALDXMXGOQVTB-KRWDZBQOSA-N 313.832 4.974 30 20 DJED N#Cc1ccccc1-c1ccc(CN(CC2CC2)C2CCC2)cc1 1642884550 ZIJSTPIRCJPQRC-UHFFFAOYSA-N 316.448 4.990 30 20 DJED C[C@H](Nc1nccc(Oc2cccc(C#N)c2)n1)C1CCCCC1 1651970037 VZJOLBIJMXODJW-AWEZNQCLSA-N 322.412 4.521 30 20 DJED CCc1nc(C#N)cc(Oc2ccc3oc4ccccc4c3c2)n1 1654898874 IROYKLWYWCKKCQ-UHFFFAOYSA-N 315.332 4.602 30 20 DJED COc1cc(C#N)ccc1CSc1cc(Cl)ccc1F 1656539893 YWFQTLKPQWWFEF-UHFFFAOYSA-N 307.777 4.652 30 20 DJED C[C@H](CCC#N)CN1Cc2ccccc2C[C@@H]1c1ccccc1 1658871482 KHYARQKCHPKWCQ-DYESRHJHSA-N 304.437 4.726 30 20 DJED CC(C)(C)C[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1ccccc1 1665020708 JNQZMCLYYMHXMP-GOSISDBHSA-N 321.424 4.857 30 20 DJED CC(C)[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2)c2ccccc21 1667039390 GIVUIWFQKNZOAY-SFHVURJKSA-N 319.408 4.544 30 20 DJED CCC[C@H](C=NNc1ccc(C(=O)O)c(F)c1)c1ccccc1 1776074851 YBULGVZKLIMIAC-CQSZACIVSA-N 314.360 4.506 30 20 DJED C=CC[C@@]1(C(=O)O)CCCN([C@H](CC)c2ccc(Cl)cc2)C1 1776154451 BBOVFNDVAZJJQU-SJLPKXTDSA-N 321.848 4.534 30 20 DJED C[C@H]1C[C@@H]1c1ccc(CN(Cc2ccc(C#N)cc2F)C2CC2)o1 30152787 NCYLSLCMMKGJDC-UGSOOPFHSA-N 324.399 4.578 30 20 DJED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C)o3)n2)cc1 46706786 MDNLMSRPPVGOGM-CQSZACIVSA-N 322.389 4.510 30 20 DJED C=CCN(CCc1ccccc1)C(=O)C(C)(C)c1ccccc1C 58706309 FLNVCMFLDXGDQE-UHFFFAOYSA-N 321.464 4.530 30 20 DJED N#Cc1ccc(CSCc2ccc(OC(F)F)cc2)cc1 60515754 ABEZHAZISXQDFE-UHFFFAOYSA-N 305.349 4.593 30 20 DJED CC(C)Sc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1 103345367 KWYWPQQIXGZUCC-HNNXBMFYSA-N 310.466 4.910 30 20 DJED C[C@H](N[C@@H](C)c1cnc2ccsc2c1)c1ccc(C#N)cc1 126490360 AZKQZWXCBOQPGH-STQMWFEESA-N 307.422 4.580 30 20 DJED N#Cc1ccc(CN[C@@H](c2cccs2)C2CCCC2)s1 135682692 NCSUAQIHVDRVLQ-MRXNPFEDSA-N 302.468 4.702 30 20 DJED N#Cc1ccc(CNc2cccc(CCC(F)(F)F)c2)s1 151050136 SSYLPQIJYVGEAE-UHFFFAOYSA-N 310.344 4.727 30 20 DJED C=CCCNc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 157164982 RHOHZVOQIZEWMM-UHFFFAOYSA-N 324.302 4.539 30 20 DJED CC(C)Sc1ccccc1NC(=O)c1cccc(CC#N)c1 178055209 RLVYCVGHTJUXNH-UHFFFAOYSA-N 310.422 4.505 30 20 DJED COc1ccc(C#N)cc1CN[C@H](C)c1cc2ccccc2s1 184377768 LJSWBFYGXGRDSM-CYBMUJFWSA-N 322.433 4.632 30 20 DJED CC(C)(NCc1ccc(F)c(C#N)c1)c1cccc(Cl)c1F 186888069 AURLCLDSOBJWEJ-UHFFFAOYSA-N 320.770 4.515 30 20 DJED N#Cc1cccc(/C=C2/CSc3ccc(Cl)cc3C2=O)c1 208314678 RSOMPSLETXDJPD-QPEQYQDCSA-N 311.793 4.584 30 20 DJED COc1cccc2cc(C(=O)/C=C\c3cc(C)c(O)c(C)c3)oc12 211262591 GZBAOAANQHTJPZ-FPLPWBNLSA-N 322.360 4.660 30 20 DJED N#CCc1ccc(NCc2cccc(OC3CCCC3)c2)cc1 237835360 MIXNLVXXYBCKIH-UHFFFAOYSA-N 306.409 4.686 30 20 DJED N#Cc1nc(Oc2ccc(F)c(C(F)(F)F)c2)ccc1Cl 302515854 AAIHZDZISXDBAS-UHFFFAOYSA-N 316.641 4.557 30 20 DJED Cc1c(C(=O)/C=C/c2cnc3c(C)cccn23)oc2ccccc12 303920630 TZRGNFNGIYHFKK-MDZDMXLPSA-N 316.360 4.593 30 20 DJED C[C@@H]1C(=O)CC[C@H]1CC(O)=Nc1ncc(C2CCCCC2)s1 330035205 XBNHJFGFQJWLFU-AAEUAGOBSA-N 320.458 4.784 30 20 DJED CC[C@@H](C)Oc1cccc(N[C@@H](C)c2ccc(OCC#N)cc2)c1 391964393 DTWPVJNEQQESIP-CVEARBPZSA-N 324.424 4.939 30 20 DJED C[C@H](CCC#N)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 411615610 RTHVWGCBQGRDRQ-XNRPHZJLSA-N 310.363 4.623 30 20 DJED Cc1occc1-c1nnc(SCCC2(C#N)CCCCC2)o1 412983602 NXCCQFFGDHVSAN-UHFFFAOYSA-N 317.414 4.594 30 20 DJED C=CCOc1cccc(NC(=O)N2CCC[C@H](C)[C@@H]2CCC)c1 437840392 JNBMMPNFCFPQCA-YJBOKZPZSA-N 316.445 4.684 30 20 DJED C=C(C)COCCNC(=O)Nc1ccc(C(C)C)cc1C(C)C 474699407 XERPTERDCQFSLG-UHFFFAOYSA-N 318.461 4.648 30 20 DJED C[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(C)(C)C 522335587 TWVPYMHVXJYQTI-CQSZACIVSA-N 322.408 4.971 30 20 DJED CCC(C#N)(CC)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 528074412 KZWHLXCVWRYJLG-UHFFFAOYSA-N 324.211 4.549 30 20 DJED C=C(C)COc1cccc(NCc2ccc3ncccc3c2)c1 533209252 GRYHITYWUVYXBR-UHFFFAOYSA-N 304.393 4.802 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc2c(c1)C(=O)CCC2)c1ccccc1 535375827 CBLMREDDQGYUEO-HNNXBMFYSA-N 319.404 4.504 30 20 DJED C=CCCN[C@H](C)c1ccc(OCc2ccccc2)c(OC)c1 537051515 XXOFFXDCQIWVJC-MRXNPFEDSA-N 311.425 4.501 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)CC(C)(C)C1CC1 558861116 MUNMSQBQVSTZHL-UHFFFAOYSA-N 311.878 4.742 30 20 DJED COc1ccc([C@H](CCC#N)NCc2cc3ccccc3o2)cc1 562593191 BMIRNGNLHIQHOE-IBGZPJMESA-N 320.392 4.576 30 20 DJED N#Cc1cc(Cl)ccc1CN[C@H](c1ccccc1)C(F)(F)F 567557385 GYECHGMMMLCTOS-OAHLLOKOSA-N 324.733 4.605 30 20 DJED C[C@@H](NC(=O)c1ccc(C2=CCCC2)cc1)c1cccc(C#N)c1 589437695 AWWHHIIZYIXLMN-OAHLLOKOSA-N 316.404 4.617 30 20 DJED Cc1cc(C(F)(F)F)cc(C)c1NC(=O)CCCCCC#N 602221765 FAIDHCWHLOFSAD-UHFFFAOYSA-N 312.335 4.735 30 20 DJED N#CCCCOc1cccc(CNc2ccc(C3CC3)cc2)c1 611314555 GKMMZDGBOGZZBM-UHFFFAOYSA-N 306.409 4.859 30 20 DJED C=C(CNCc1csc(-c2ccsc2)n1)c1ccccc1 620756926 VVASUMAXJKUZSP-UHFFFAOYSA-N 312.463 4.675 30 20 DJED C=CCN(C(=O)N[C@@H](CC(C)C)c1ccccc1C)C(C)C 732895127 WEYUOXULQRRESO-SFHVURJKSA-N 302.462 4.688 30 20 DJED C=CC[C@H](NCc1ccc2c(c1)CCC(C)(C)O2)c1ccncc1 734509085 GUIBCZXIJKZMAZ-IBGZPJMESA-N 322.452 4.592 30 20 DJED CC(C)Oc1ccc(/C=C2/CCc3cc(C#N)ccc3C2=O)cc1 742437464 NVDAJTIZNZWWSN-WQRHYEAKSA-N 317.388 4.558 30 20 DJED CC(CCc1cccc(C)c1)=NNc1oc(C(C)(C)C)nc1C#N 746498063 GVFJRZUBBPNKSB-UHFFFAOYSA-N 324.428 4.573 30 20 DJED CC(=NNc1ccc(C(F)(F)F)cc1)c1sc(C)nc1C 746575307 AGHNZTXNNAZJNB-UHFFFAOYSA-N 313.348 4.615 30 20 DJED C=CCCCC(=O)O[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1 751733274 TZIXVTQNNJPMTC-LBPRGKRZSA-N 319.788 4.956 30 20 DJED C[C@H](CCC(C)(C)C)C(=O)[C@H](C#N)c1ccc2ccccc2n1 755582551 FPMDRGHODDPQME-GDBMZVCRSA-N 308.425 4.873 30 20 DJED CC(Cc1ccncc1)=NNc1c(Cl)cc(F)cc1Cl 767911212 QAPFDINTAWFVJF-UHFFFAOYSA-N 312.175 4.558 30 20 DJED CCCCCc1ccc([C@@H](CC)NCc2ccc(C#N)cn2)cc1 783299550 DOTHJFSOYZJQJW-OAQYLSRUSA-N 321.468 4.927 30 20 DJED O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)c1cncs1 787167762 DSSPJRYCRMFOGZ-DUXPYHPUSA-N 317.719 4.711 30 20 DJED FCC[C@H]1CCCC1=NNc1ccc(OCC(F)(F)F)cc1 794902838 WHMXWSSMDSCMLW-LLVKDONJSA-N 318.314 4.555 30 20 DJED O=C(/C=C\c1ccc(C(F)F)cc1)c1ccc(O)c(Cl)c1 794945645 NSXFAFXUMYMAJN-CLTKARDFSA-N 308.711 4.879 30 20 DJED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CC(C)(C)C3)n2)cc1 796799496 UQWPFEKSPNXYFC-OAHLLOKOSA-N 324.449 4.731 30 20 DJED C=CCCCCCCNC(=O)N1CCC[C@H]1c1cccs1 806003731 WEBHWKFVJNEGMB-HNNXBMFYSA-N 306.475 4.731 30 20 DJED C=CCCCCC[C@@H](C)Nc1cccc([C@@H]2CCC(=O)N2)c1 840883767 HVIWEOPICCIYKK-QAPCUYQASA-N 300.446 4.575 30 20 DJED C/C(=C(\F)C(=O)Nc1ccccc1S[C@H](C)CC#N)C1CC1 900637671 RCFUVFRHUCQNEB-VFJWTBQQSA-N 318.417 4.673 30 20 DJED N#Cc1ccc(SCc2nc(C3CCCCCC3)no2)cc1 904679990 PJMNKFHUEKVFIE-UHFFFAOYSA-N 313.426 4.671 30 20 DJED CCCCCCCCCN(C)Cc1nc(O)c2sccc2n1 918741343 HGYMMRGFYRQLIH-UHFFFAOYSA-N 321.490 4.579 30 20 DJED Cc1cccc(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)c1 1129472787 XRLJWLAFRLXZQW-CHWSQXEVSA-N 324.449 4.866 30 20 DJED Cc1cccc([C@@H]2CCCCN2c2ccc(C#N)c(C)n2)c1C 1162659661 VJVQNCCWRFIMFH-IBGZPJMESA-N 305.425 4.610 30 20 DJED CC(C)c1cc(N[C@@H](C)c2cccc(C#N)c2)nc(C(C)C)n1 1167707137 GAEAWPUCVIWESA-AWEZNQCLSA-N 308.429 4.768 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1OC(F)F)C1CCCCC1 1167867522 IOGALIDNQFKGFL-UHFFFAOYSA-N 322.399 4.703 30 20 DJED CC(C)(C)c1nnc(-c2cccc(Nc3ccc(C#N)cc3)c2)o1 1324148144 GPDPIYRJXKZNAY-UHFFFAOYSA-N 318.380 4.649 30 20 DJED CCCCC1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 1355896680 YKGZDNOPJDIJEP-OSXBXZONSA-N 324.468 4.527 30 20 DJED Cc1c(C#N)cccc1C(=O)Nc1cccc(-c2cccs2)c1 1434975994 UQGIEXBYYKPBBA-UHFFFAOYSA-N 318.401 4.848 30 20 DJED N#Cc1c(COc2cccc(Cl)c2Cl)cn2ccccc12 1458820192 URJVXUGCQWXZMJ-UHFFFAOYSA-N 317.175 4.697 30 20 DJED C[C@H](Cc1cccc(F)c1)N(C)CCC1(C#N)CCCCC1 1460222228 VXLNFJZYFPNNPH-MRXNPFEDSA-N 302.437 4.553 30 20 DJED CC(C)(C(=O)O[C@H]1CCC[C@@H](C#N)C1)c1cccc2ccccc12 1460800124 YKWHVTUVMNFHDO-WBVHZDCISA-N 321.420 4.743 30 20 DJED CCCCN(C(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[C@H](C)C1 1464910632 KTCFXQISVPOYCL-MAUKXSAKSA-N 313.445 4.771 30 20 DJED Cc1nsc(NCC2(c3ccccc3)CCCCC2)c1C#N 1472648920 PGUQVLUCBJLIEN-UHFFFAOYSA-N 311.454 4.637 30 20 DJED C[C@H](CCNc1nc(C(C)(C)C)ccc1C#N)c1ccccc1 1472770376 LDMLSECIJFHVRF-OAHLLOKOSA-N 307.441 4.856 30 20 DJED CC(C)(CCC(=O)OCc1ccc(CC#N)cc1)c1ccccc1 1520640422 JUXBHTILWSOEPU-UHFFFAOYSA-N 321.420 4.554 30 20 DJED C[C@H]1CC[C@@H](OC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 1535810324 NJXRFJRXIQQTFN-IFXJQAMLSA-N 321.376 4.696 30 20 DJED Cc1cc(Oc2cc(C3CC3)nc(C3CC3)n2)c(C)c(C)c1C#N 1639891970 YMNGXMQAJYZUMA-UHFFFAOYSA-N 319.408 4.821 30 20 DJED N#Cc1c(CSc2ccc(F)c(Cl)c2)cn2ccccc12 1652515856 LNKZTYQXBYLYAF-UHFFFAOYSA-N 316.788 4.896 30 20 DJED CC(C)[C@@H]1CCCN1Cc1ccc(-c2ccccc2C#N)cc1 1652571920 UFRVKQAJRJYBSL-NRFANRHFSA-N 304.437 4.846 30 20 DJED Cc1ccccc1C[C@H]1CCCN1CCC1(C#N)CCCCC1 1653402161 KVSDABHMVLWCIQ-HXUWFJFHSA-N 310.485 4.866 30 20 DJED CC(C)(C)[C@H]1CN(Cc2ccc(C#N)cc2F)c2ccccc21 1659032460 KXPZUYQQCJAMGY-KRWDZBQOSA-N 308.400 4.847 30 20 DJED CC(C)c1ccc(CCN[C@@H]2CCc3cc(C#N)ccc32)cc1 1659672696 HVCBONKYVKVSOB-OAQYLSRUSA-N 304.437 4.501 30 20 DJED CC[C@H](C)c1ccc(C(C)=NNc2ccc(C(=O)O)cc2)cc1 1776012113 DFRTUWBYZCPEJQ-ZDUSSCGKSA-N 310.397 4.734 30 20 DJED CCCCCC(=NNc1ccccc1C(=O)O)c1ccccc1 1776029903 IQXSZPDIQJSLOX-UHFFFAOYSA-N 310.397 4.781 30 20 DJED C[C@H](Nc1ccc(C#N)cc1F)c1ccc(Br)cc1 44388407 XXSLVTLCPHSOOR-JTQLQIEISA-N 319.177 4.633 30 20 DJED CC1(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCCC1 66037469 CEXHHKADJBWQHB-UHFFFAOYSA-N 320.392 4.869 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2ccc3c4c(cccc24)CC3)cc1 71813699 RCAYDKJPGLREGM-MDWZMJQESA-N 309.368 4.706 30 20 DJED C[C@@H](C#N)CSc1ccccc1NCc1cccnc1Cl 81157769 OFVZVKQJCKHEMY-LBPRGKRZSA-N 317.845 4.599 30 20 DJED C[C@@H](C#N)CSc1ccccc1NCc1cccc(F)c1 108354851 GGZGKMLURUBAGR-ZDUSSCGKSA-N 300.402 4.690 30 20 DJED N#Cc1ccccc1CSCc1nnc(-c2ccccc2)s1 127336720 IIDMNIAKLHSZBO-UHFFFAOYSA-N 323.446 4.510 30 20 DJED CC[C@@H](C)Sc1ccc(NC(=O)NCCCCC#N)c(C)c1 171383501 FDTBHJKNFXGISG-CQSZACIVSA-N 319.474 4.701 30 20 DJED C[C@@H](Nc1cccc(F)c1C#N)c1ccc(-c2ccncc2)cc1 301431571 JXXHBIGHAKRNNO-CQSZACIVSA-N 317.367 4.932 30 20 DJED OC1=NCc2c(N=C(O)[C@@H]3CC[C@H]4CCCC[C@@H]4C3)cccc21 329298313 UGEYDBKRQQNPNX-MGPQQGTHSA-N 312.413 4.699 30 20 DJED C=CCSc1ccccc1C(=O)N(C)[C@@H](C)CCSCC 356018018 YWANVFQAZYKBBA-AWEZNQCLSA-N 323.527 4.568 30 20 DJED N#CC[C@@H](CC(=O)N1CCC=Cc2ccccc21)c1ccccc1 357007345 XEQDETNNFAIIJU-IBGZPJMESA-N 316.404 4.524 30 20 DJED C=CCCC[C@@H](C)NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 409896498 KCRBCLTUZMJMSB-OLZOCXBDSA-N 313.363 4.670 30 20 DJED CC[C@H](N[C@@H](CC(F)F)c1ccccc1)c1ccc(C#N)cc1 421879660 PJLSVPADDFJOBB-ROUUACIJSA-N 314.379 4.995 30 20 DJED Cc1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)ccc1F 481911476 GCRAISSVXLTEDK-FQEVSTJZSA-N 308.400 4.563 30 20 DJED C=C(C)[C@H](NC(=O)N1[C@H](C)CC[C@H]1CC)c1ccc(F)c(F)c1 483317622 YMSMVKWARHZYJI-MRRJBJDNSA-N 322.399 4.555 30 20 DJED C=CCN(C(=O)c1cc2ccc(F)cc2nc1C)c1ccccc1 484256701 QWPMBJGJOLBSSR-UHFFFAOYSA-N 320.367 4.515 30 20 DJED C=CCN(C(=O)N[C@H](C)c1ccc(SC(C)C)cc1)C1CC1 537911402 MTWULKFVYJTBSN-CQSZACIVSA-N 318.486 4.608 30 20 DJED C[C@H](NCc1ccc(-c2ccccc2)o1)c1cccc(C#N)c1 538396841 FGHDVHMXEHKLMP-HNNXBMFYSA-N 302.377 4.669 30 20 DJED C=CCCOCCCCC(=O)N(c1ccccc1)C1CCCC1 538401213 QEELUCWNZNHFOJ-UHFFFAOYSA-N 315.457 4.725 30 20 DJED N#Cc1ccc2nc(N3CCC[C@@H]3c3ccsc3)ccc2c1 538978546 QNWFXWNCNDAVNJ-QGZVFWFLSA-N 305.406 4.509 30 20 DJED C[C@H](N[C@H]1c2cccc(F)c2CC[C@@H]1C)c1cccc(C#N)c1 539494202 BCNOJFJBFAYWRU-PJSUUKDQSA-N 308.400 4.672 30 20 DJED C=CCCC[C@H](C)NC(=O)Nc1cccc(-c2nccs2)c1 540547380 CPNBURIGCVGBLV-ZDUSSCGKSA-N 315.442 4.676 30 20 DJED N#CC1CCN(Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1 551561371 ZCQIWGKZQFZXGF-UHFFFAOYSA-N 310.828 4.743 30 20 DJED C=CCC[C@@H](Nc1cccc(C(=O)NCCC)c1)c1ccco1 556896003 PHNKGEBUJKBYCR-QGZVFWFLSA-N 312.413 4.539 30 20 DJED Cc1ccc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c(C)c1 577596816 UHXUHRUUNPMUQS-KKSFZXQISA-N 304.437 4.903 30 20 DJED N#CCCC1CCN(c2nc3cc(Cl)cc(Cl)c3o2)CC1 583931996 QOMQCENWALEZQQ-UHFFFAOYSA-N 324.211 4.655 30 20 DJED Cc1cccc(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(C#N)cc1 596443806 KEPXIXGPOGVFKD-SFHVURJKSA-N 319.408 4.544 30 20 DJED CC(C)CCC[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 603744959 PPONOSDUWOUPHF-OAHLLOKOSA-N 315.461 4.824 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC(=O)C[C@H]1CCCC[C@H]1C 604440758 PURZHAKVPVENTO-GDBMZVCRSA-N 314.429 4.500 30 20 DJED Cc1cc(Oc2ccccc2)ccc1NC(=O)N(C)[C@H](C)CC#N 610663933 XBAYYJHRKSDWCJ-OAHLLOKOSA-N 323.396 4.553 30 20 DJED CCOCc1cccc(N[C@@H]2CCCc3cc(C#N)ccc32)c1 611475820 PZGFOCPFKPNTSW-HXUWFJFHSA-N 306.409 4.584 30 20 DJED C=CCOc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2C)cc1 614961853 QBYNPLSFQASGCU-HXUWFJFHSA-N 321.420 4.537 30 20 DJED C=C(CNC(=O)c1ccccc1SC(C)C)c1ccccc1 673342728 YMPIKJYTURZGGN-UHFFFAOYSA-N 311.450 4.630 30 20 DJED CC(C)(C)c1ncc(/C=C/C(=O)c2c[nH]c3ccccc23)s1 736433658 IMBHNHNRABAQEC-CMDGGOBGSA-N 310.422 4.818 30 20 DJED COc1ccc(CCNN=C(C)CC(C)(C)c2ccccc2)cc1 737439753 GKTDUVDFNRCKQF-UHFFFAOYSA-N 324.468 4.571 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc(N(C)C)c(Cl)c1 740448925 HIDPOOXIPQENFV-UHFFFAOYSA-N 323.868 4.616 30 20 DJED CCCCCCCCCNC(=O)N1CCC(C(F)(F)F)CC1 745345357 IGPSTEGXOFCHJR-UHFFFAOYSA-N 322.415 4.721 30 20 DJED C#CCCCC(=O)N(c1ccccc1)c1nc2ccccc2s1 757870273 DWWLEJDFUHEUAQ-UHFFFAOYSA-N 320.417 4.765 30 20 DJED O=C1/C(=C/c2csc(Cl)c2Cl)Cc2c(O)cccc21 761476725 JZHKDCKVDUIIIO-QPJJXVBHSA-N 311.189 4.583 30 20 DJED CCc1cnccc1C(C)=NNc1ccc(Cl)cc1Cl 765564284 RIYFASWCLQCZIS-UHFFFAOYSA-N 308.212 4.787 30 20 DJED C[C@H](NCc1cccc(-c2ccc(C#N)s2)c1)c1ccccn1 766735115 QXAAQBZBSHRQIT-AWEZNQCLSA-N 319.433 4.533 30 20 DJED C=C(C)[C@@H](NC(=O)/C=C/C(=C\C)CC)c1ccc(F)c(F)c1 772317798 AMBBCHSGLDJVGY-OYFQBOTLSA-N 305.368 4.611 30 20 DJED C#CC[C@H](NCc1ncc(-c2ccccc2C)o1)c1ccccc1 775399353 CJNZEHDNGFEBII-IBGZPJMESA-N 316.404 4.504 30 20 DJED CCCCCCOCc1cccc(NC(=O)CC(C)(C)C#N)c1 782886055 QHTGKFWVBQQETC-UHFFFAOYSA-N 316.445 4.662 30 20 DJED O=C1/C(=C\c2cnc(-c3ccco3)s2)CCc2sccc21 789141289 CGKAJXGQJAZATF-NTMALXAHSA-N 313.403 4.677 30 20 DJED C=CCCC[C@H](C)NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 801689433 LIXAISRKAXEORC-SMDDNHRTSA-N 317.326 4.577 30 20 DJED CCCCCCCCCCC(=O)N1CCCC[C@H]1c1cc[nH]n1 804278274 SJTXTUCSSNCVQV-SFHVURJKSA-N 319.493 4.994 30 20 DJED O=C1/C(=C/c2cc3ccccc3s2)Cc2nc(Cl)ccc21 806579416 GLKCHRNFWAXYND-DHZHZOJOSA-N 311.793 4.772 30 20 DJED CCCCCCCC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 809375144 UHLFKSDMLYXOIK-OKILXGFUSA-N 307.400 4.926 30 20 DJED COc1cc(C(C)=NNc2c(C)cccc2C(C)C)ccc1O 812233170 SKIBNVNNLFXRSE-UHFFFAOYSA-N 312.413 4.669 30 20 DJED CC(C)c1cc(NC(=O)C[C@H](CC#N)c2ccccc2)ccc1O 882654864 DROQVVWVJWAPBG-INIZCTEOSA-N 322.408 4.542 30 20 DJED C(=NNCc1cccc2cccnc12)c1csc2ccccc12 915963375 UMMJSDDSFDHSMQ-UHFFFAOYSA-N 317.417 4.573 30 20 DJED CCc1cccc2c(/C=C\C(=O)c3cccc(OC)c3)c[nH]c12 916137152 JCIAQAIMLFPBOQ-KHPPLWFESA-N 305.377 4.635 30 20 DJED CCCOc1ccc2c(c1)C(=O)/C(=C/c1ccc(C)s1)CO2 920068903 FCJGCLJCNKOPAY-UKTHLTGXSA-N 314.406 4.504 30 20 DJED N#Cc1sc(Sc2ccc(Cl)c(F)c2)nc1Cl 1163676506 ZZPQIIKCKREULC-UHFFFAOYSA-N 305.186 4.612 30 20 DJED CCC1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 1190865127 PDPDTNYGYTUMKF-UHFFFAOYSA-N 304.437 4.847 30 20 DJED Cc1cc(CN(Cc2cccc(Cl)c2)C(C)C)ccc1C#N 1204270095 IVSBUCWDNKBGFP-UHFFFAOYSA-N 312.844 4.931 30 20 DJED C=C(Br)CN(Cc1ccc(C)o1)c1ccc(F)cc1 1307538958 JRPPZFBSDYHKNM-UHFFFAOYSA-N 324.193 4.642 30 20 DJED CC(C)CC[C@@H]1CCC[C@H]1NCc1ccc(C#N)cc1Cl 1307691835 UZZRFQQIWVWEPC-MAUKXSAKSA-N 304.865 4.906 30 20 DJED CN(C(=O)c1csc(C#N)c1)c1ccccc1-c1ccccc1 1351919903 QXGPXABDVBZYDM-UHFFFAOYSA-N 318.401 4.563 30 20 DJED CCC(CC)[C@H](NC(=O)c1ccc(C#N)s1)c1ccccc1 1354815686 ZOOMGUPAYUUIKM-KRWDZBQOSA-N 312.438 4.527 30 20 DJED N#Cc1sc(N[C@@H](C2CCCCC2)C2CCC2)nc1Cl 1458454781 OEMDUBRDQNMINQ-ZDUSSCGKSA-N 309.866 4.829 30 20 DJED Cc1cc(NC[C@@H]2CCC(C)(C)c3ccccc32)ncc1C#N 1472733168 SGTUAVXRBAPZCD-HNNXBMFYSA-N 305.425 4.529 30 20 DJED C[C@@H](OC(=O)c1cccc(C(C)(C)C)c1)c1ccc(C#N)cc1 1524303050 UZAAGJMMYVHUOV-CQSZACIVSA-N 307.393 4.774 30 20 DJED N#Cc1ccc(NC(=O)CCCc2csc3ccccc23)cc1 1530576917 NYLOQMCOZXQDNT-UHFFFAOYSA-N 320.417 4.734 30 20 DJED CC[C@H](C(=O)N[C@H]1CCc2cc(C#N)ccc21)C1CCC(C)CC1 1531333145 LSMJQZXQTCVAGD-IVMJPEBNSA-N 324.468 4.514 30 20 DJED C[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)CC[C@@H]1c1ccccc1 1532789916 MMRWXWYCPOAWSN-MJGOQNOKSA-N 324.468 4.503 30 20 DJED C[C@@H]1CCC[C@@H](C(=O)Nc2cc(C(C)(C)C)sc2C#N)C1 1535487737 BSWLPIFLLHSHLU-VXGBXAGGSA-N 304.459 4.682 30 20 DJED Cc1cccc(C)c1[C@H](C)OC(=O)[C@H](C)Cc1ccc(C#N)cc1 1535740307 QDOXLUYHTJJACB-SJORKVTESA-N 321.420 4.658 30 20 DJED CCC(C)(C)c1ccc(NC(=O)c2ccc(C)c(C#N)c2)cc1 1543870335 GDNBZODDUDRQKQ-UHFFFAOYSA-N 306.409 4.807 30 20 DJED CC(C)[C@H]1CC[C@H](C(=O)Nc2ccc(C#N)cc2Cl)CC1 1544255849 HKWLOUYMRVGEBZ-HDJSIYSDSA-N 304.821 4.613 30 20 DJED CCN(CC1(CC#N)CC1)[C@H](C)c1cccc(C(F)(F)F)c1 1559536248 OMIZGOHHAVPEBW-CYBMUJFWSA-N 310.363 4.782 30 20 DJED CC(C)[C@H](CC1CCCCC1)C(=O)N1CCc2c(C#N)cccc21 1598132335 SFLWPVAKPBAHPZ-IBGZPJMESA-N 324.468 4.690 30 20 DJED Cc1ccccc1C1CC(N[C@H]2CCCc3cc(C#N)ccc32)C1 1621396653 PEYTZKINDUFGAH-AJTFCVKESA-N 316.448 4.780 30 20 DJED Cc1nc(N[C@@H](CC(C)(C)C)c2ccc(F)cc2)ccc1C#N 1642081578 USTPGJSVIMOTCP-KRWDZBQOSA-N 311.404 4.990 30 20 DJED CC[C@H](Nc1nc(C)c(C#N)cc1Cl)c1ccc(F)cc1F 1651542113 NJZXJPWYQDTIQR-HNNXBMFYSA-N 321.758 4.757 30 20 DJED CCc1nc(C#N)cc(SC2CCC(c3ccccc3)CC2)n1 1652204320 HTCBQTLNHMHSDM-UHFFFAOYSA-N 323.465 4.729 30 20 DJED Cc1cccc(-n2ccnc2S[C@@H](C)c2cccc(C#N)c2)c1 1656097579 UFTITNIIZUXYLZ-HNNXBMFYSA-N 319.433 4.906 30 20 DJED O=C(/C=C/c1ccc(N2CCCCC2)cc1)c1ccccc1F 7586908 WKYMAQYKUGFIHE-JLHYYAGUSA-N 309.384 4.712 30 20 DJED N#Cc1cccnc1N[C@@H](c1ccccc1)c1ccc(Cl)cc1 25503527 XSYZBEJKGCPGHQ-SFHVURJKSA-N 319.795 4.808 30 20 DJED CC(C)[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccccc1 72786431 MFJLLLUMPAUTSO-NRFANRHFSA-N 321.468 4.523 30 20 DJED CC(C)(C)CN(CCC#N)Cc1cnc(-c2ccsc2)s1 93101190 CUUCTJFSTZGRTK-UHFFFAOYSA-N 319.499 4.633 30 20 DJED C[C@H](NCc1ccccc1C#N)c1cc(Cl)ccc1Cl 189471168 BNYFGFOIXBWLHP-NSHDSACASA-N 305.208 4.716 30 20 DJED C=C(Cl)COc1ccc(C(=O)/C=C\c2cccs2)cc1 207260840 VZAOWQYFKIVVTJ-HJWRWDBZSA-N 304.798 4.776 30 20 DJED C[C@H](N[C@H]1CCSc2ccccc21)c1ccc(C#N)c(F)c1 271938496 NXTFMLIYHIORED-SJCJKPOMSA-N 312.413 4.585 30 20 DJED C[C@H](NCCCCC(C)(C)C#N)c1cccc(N2CCCC2)c1 278839512 QUPFELQPUUBQEM-KRWDZBQOSA-N 313.489 4.657 30 20 DJED N#CC1(CCCNc2cc(Cl)cc(Cl)c2)CCOCC1 281146123 JPWUCNIHNKAUGW-UHFFFAOYSA-N 313.228 4.506 30 20 DJED CC/C(=C/C(=O)N(CCC#N)CC(C)(C)C)c1ccc(C)cc1 303815227 CTMWIOLXGQQKHF-VKAVYKQESA-N 312.457 4.577 30 20 DJED Cc1ccc2c(c1)[C@H](/N=C(/O)[C@@H]1CCC[C@@H](C(=N)O)C1)CCC2 329311375 ZRUKRLGHZBIAIY-BFYDXBDKSA-N 314.429 4.671 30 20 DJED Cc1sc(N=C(O)c2csc(C(C)(C)C)n2)c(C#N)c1C 330454506 WEDBQPSJDIGLGY-UHFFFAOYSA-N 319.455 4.627 30 20 DJED C[C@H](SCc1ncccc1C(F)(F)F)c1ccc(C#N)cc1 432255265 YWWBCWDTTWDMIT-NSHDSACASA-N 322.355 4.966 30 20 DJED CN(C)c1cccc([C@H]2CCCN2CCCCC(C)(C)C#N)c1 444635970 FHDARFCQYATLKC-LJQANCHMSA-N 313.489 4.610 30 20 DJED CC1(C#N)CCC(NCCCc2cccc(C(F)(F)F)c2)CC1 449106445 MCZVYRGLPOVKCR-UHFFFAOYSA-N 324.390 4.700 30 20 DJED Cc1cccc([C@H](C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 454453510 VLQWLOCYLJVRGI-HNNXBMFYSA-N 321.424 4.679 30 20 DJED Cc1sc(CNc2c(Cl)cccc2C#N)nc1C(C)C 462841166 UHBUXUPMMHHHBO-UHFFFAOYSA-N 305.834 4.712 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1ccc(Sc2ccncc2)cc1 467981346 FUOUBKODNTXXBS-GOSISDBHSA-N 312.438 4.774 30 20 DJED C[C@@H](CCC1CC1)NC(=O)c1ccccc1-c1ccccc1C#N 469775936 NSPIBNTUIWCPQO-HNNXBMFYSA-N 318.420 4.534 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1ccc2sccc2c1 471096520 VLZCQJWMEGFLNG-UHFFFAOYSA-N 313.447 4.791 30 20 DJED C=CCCCCNC(=O)Nc1ccccc1CCC(F)(F)F 473707326 UQOVIGDSTQOZDT-UHFFFAOYSA-N 314.351 4.659 30 20 DJED N#CC[C@H](CC(=O)Nc1cc(Cl)ccc1F)c1ccccc1 474430425 GWCMBTAATBCOOF-CYBMUJFWSA-N 316.763 4.505 30 20 DJED C=CCSc1ccccc1C(=O)NCc1ccc(Cl)s1 485761042 VKRRITOEMAPLPH-UHFFFAOYSA-N 323.870 4.610 30 20 DJED C=CCSc1ccccc1C(=O)Nc1cc(F)c(F)cc1F 486258527 WIJHYBOQYRZPHT-UHFFFAOYSA-N 323.339 4.634 30 20 DJED C=CCC[C@@H](C(=O)N[C@H](CC)CC(F)(F)F)c1ccccc1 490225971 YQZUDWIDWLCMLA-HUUCEWRRSA-N 313.363 4.584 30 20 DJED C=CCOc1cccc(NC(=O)[C@@H](C)c2ccc(Cl)s2)c1 495244803 XMBVZNQJTHRRST-NSHDSACASA-N 321.829 4.709 30 20 DJED C=CCN(CC=C)C(=O)[C@H](C)S[C@@H](C)c1ccc(Cl)cc1 498109603 CCSGBLNRXKWWQO-KBPBESRZSA-N 323.889 4.723 30 20 DJED C[C@@H]1CCC[C@@H](CC(=O)Nc2cccc(OCCCC#N)c2)C1 498774088 DNZLNNXECBFJCU-HZPDHXFCSA-N 314.429 4.524 30 20 DJED CC(C)(C#N)CCSc1ncnc2sc3c(c12)CCCC3 525190479 GPIDQSSQOJVVJX-UHFFFAOYSA-N 317.483 4.602 30 20 DJED C=C[C@H](CC(=O)Nc1ccccc1OCCC)c1ccccc1 534604463 WSTMDNPHLBOQQS-MRXNPFEDSA-N 309.409 4.774 30 20 DJED Cc1cc(Cl)ccc1NCc1cccc(OCCCC#N)c1 534942402 ZPUJJXHNZYLSGV-UHFFFAOYSA-N 314.816 4.943 30 20 DJED CC(C)C[C@H](NCCCSCC#N)c1ccc(Cl)cc1 539296508 BZBFQWAUFCMPHN-INIZCTEOSA-N 310.894 4.664 30 20 DJED N#Cc1cccc(SCC(=O)c2cccc(Cl)c2Cl)c1 549223781 MWUYJECZUKEBMY-UHFFFAOYSA-N 322.216 4.840 30 20 DJED C=CCCC(=O)Nc1nc(-c2cccc3ccccc23)cs1 588015293 DLBCYQBVIYXHKE-UHFFFAOYSA-N 308.406 4.868 30 20 DJED C[C@H](Nc1cccc(Cl)c1C#N)c1cccc(OC(F)F)c1 603858427 BBFAFUPIBCNRJG-JTQLQIEISA-N 322.742 4.986 30 20 DJED CC(C)C[C@H](C)CC(=O)N(CC(C)C)c1ccc(C#N)cc1 609010542 HBTKVSLZEQQJNG-INIZCTEOSA-N 300.446 4.620 30 20 DJED C#Cc1cccc(NC(=O)N(C)[C@@H](c2ccccc2)C(C)C)c1 733031851 PNXOXRNYHPLVTM-LJQANCHMSA-N 306.409 4.529 30 20 DJED Fc1cc(F)c(NN=Cc2cccc(Cl)c2Cl)cc1F 734302022 VXNSBBJPLBRISS-UHFFFAOYSA-N 319.113 4.857 30 20 DJED Cc1ccc(C2CC(=NNc3cc(F)c(F)cc3F)C2)cc1 734302477 FPMKYQRLTZSUKV-UHFFFAOYSA-N 304.315 4.758 30 20 DJED C#CCCCCN[C@H]1CCCc2nc(-c3ccccc3)sc21 773039868 YSUXZZXIZLWKQJ-INIZCTEOSA-N 310.466 4.581 30 20 DJED CC[C@](C)(NCc1ccccc1C(C)(C)C#N)c1ccccc1 775397941 YWKJGCUBVKYDNU-NRFANRHFSA-N 306.453 4.903 30 20 DJED CC(=NNc1ccnc(F)c1)[C@@H]1C[C@H]1c1ccc(Cl)s1 788439253 QNSAUZQRFKIQOO-WDEREUQCSA-N 309.797 4.527 30 20 DJED FC(F)(F)c1ccccc1ON=Cc1ccsc1Cl 790172579 RBBPDCYLLXHSIH-UHFFFAOYSA-N 305.708 4.833 30 20 DJED CCC(CSc1ccc(Cl)cc1)=NNCCC(F)(F)F 794551276 OAISDCMNSSXSED-UHFFFAOYSA-N 324.799 4.740 30 20 DJED CC(=NNc1cccc2ccccc12)c1cc(F)c(N)c(F)c1 814822793 DMXRGCHHFLOKHG-UHFFFAOYSA-N 311.335 4.536 30 20 DJED CC(=NNCc1cccc(Cl)c1Cl)c1ccc(C)nc1C 814913529 OXHGHXWGWVDDMM-UHFFFAOYSA-N 322.239 4.519 30 20 DJED CC(C)=CCC[C@@H](C)CC(=O)[C@@H](C#N)c1nc2ccccc2n1C 842678007 QRBKBUHHNVLGKM-HZPDHXFCSA-N 323.440 4.522 30 20 DJED CC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cccc(C#N)c1 903023846 UJQKGOJPXFWSSF-NHCUHLMSSA-N 315.420 4.548 30 20 DJED CCOc1ccc(C=Nc2ccc3oc(C(C)C)nc3c2)c(O)c1 914703551 VAMBFYWUWZUPBC-UHFFFAOYSA-N 324.380 4.806 30 20 DJED CCc1ccccc1NN=C(C)c1cnn(-c2ccccc2)c1C 915051432 GVESIJDDESHETG-UHFFFAOYSA-N 318.424 4.579 30 20 DJED CC(CCc1ccc(O)cc1)=NNc1ccccc1C(F)(F)F 916259385 CEGKRKXEFPRCGG-UHFFFAOYSA-N 322.330 4.832 30 20 DJED COc1ccc(O)c(C=Nc2ccc(Nc3ccccc3)cc2)c1 920943096 NDPOBBYVGWBRFX-UHFFFAOYSA-N 318.376 4.895 30 20 DJED CC[C@@H](OC(=O)c1cc(C#N)ccc1C)C(C)(C)c1ccccc1 1126284375 WIILUUPHGIONFF-LJQANCHMSA-N 321.420 4.780 30 20 DJED C[C@H](OC(=O)[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc(C#N)cc1 1126637976 QWUZXOKHCJRVCF-CWFSZBLJSA-N 319.404 4.746 30 20 DJED CC(C)CN(C(=O)c1ccc(C#N)cc1)c1ccccc1Cl 1129810324 SBPBHZDYQOMYMV-UHFFFAOYSA-N 312.800 4.514 30 20 DJED Cc1c(C#N)c(SC[C@@H]2CCC[C@H](C)C2)nc2c1CCC2 1165282862 YREJRYZDSYGXDC-GXTWGEPZSA-N 300.471 4.669 30 20 DJED N#CC[C@@H](C(=O)N1CCC[C@H](C2CCCCC2)C1)c1ccccc1 1167884180 LSXJRUWKOBTTDS-VQTJNVASSA-N 324.468 4.503 30 20 DJED Cc1ccc2sc(Sc3nc(C#N)c(Cl)s3)nc2c1 1307212386 PWQNCTXJDOOHJU-UHFFFAOYSA-N 323.855 4.738 30 20 DJED CC(C)CCOc1ccccc1NC1CCC(C)(C#N)CC1 1308837563 DICUJAODXDRQNX-UHFFFAOYSA-N 300.446 4.996 30 20 DJED O=C1/C(=C\c2ccc(N3CCCC3)cc2)Cc2cc(Cl)ccc21 1318850810 PBXHCRCWUPZODY-WJDWOHSUSA-N 323.823 4.763 30 20 DJED Cc1ccc(C(=O)Nc2ccc(C)c(Cl)c2Cl)cc1C#N 1327028537 AGQWNLHXEMVFDE-UHFFFAOYSA-N 319.191 4.734 30 20 DJED N#Cc1ccc(C(=O)N[C@H](c2ccccc2)C2CCCCC2)cc1 1356412534 IAUYQYNZPUKBRQ-HXUWFJFHSA-N 318.420 4.610 30 20 DJED Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@]1(C#N)CC12CCCC2 1435140278 YARRWOOAFNWBOK-GHTZIAJQSA-N 324.468 4.673 30 20 DJED C[C@@H](OC(=O)[C@@]1(C#N)CC12CCCC2)c1ccc2c(c1)CCCC2 1520018995 QCZKEBHOILFCNB-VFNWGFHPSA-N 323.436 4.644 30 20 DJED CCCC1CCC(NC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 1528208283 JIKUAKFPFHUIEP-UHFFFAOYSA-N 312.457 4.576 30 20 DJED CC(C)CN(CCOC1CCCCCC1)c1ccc(C#N)cc1 1559621492 YAGPJYSBXVZLKD-UHFFFAOYSA-N 314.473 4.760 30 20 DJED Cc1nc(Nc2ccc(Nc3ccccc3)cc2)ccc1C#N 1611735774 MCRQIFZTZGQVQV-UHFFFAOYSA-N 300.365 4.749 30 20 DJED Cc1cccc(-c2ccc(CN[C@H]3CCC[C@H](C#N)C3)cc2)c1 1621242898 RKOXQGDMUIMVMA-RXVVDRJESA-N 304.437 4.834 30 20 DJED C[C@@H]1C[C@H]1[C@@H](NCCc1ccc(C#N)cc1)c1ccc(Cl)cc1 1645044421 KHLWEPQDTKIQOE-XMCHAPAWSA-N 324.855 4.741 30 20 DJED C[C@@H](c1ccc(Oc2ccccc2)cc1)N1CCC[C@H](C#N)C1 1648265131 BVGVBDBIKOWDSS-DLBZAZTESA-N 306.409 4.775 30 20 DJED N#Cc1ccc(Oc2nc(C3CCCCC3)ns2)c(Cl)c1 1649445001 FLEPHYDNKUNDCQ-UHFFFAOYSA-N 319.817 4.903 30 20 DJED Cc1ccc(CN(Cc2cccc(C#N)c2F)CC(C)C)c(C)c1 1653986594 ATNCPXNWDRIFLT-UHFFFAOYSA-N 324.443 4.972 30 20 DJED C[C@@]1(c2ccccc2)CCCN(Cc2ccc(Cl)cc2C#N)C1 1657293855 QGZUPFLQJQIWFD-HXUWFJFHSA-N 324.855 4.765 30 20 DJED Cc1cc(CN(Cc2ccccc2F)CC(C)C)ccc1C#N 1658321270 XAELKRDDPDPJDL-UHFFFAOYSA-N 310.416 4.664 30 20 DJED CC(C)CCn1cccc1CN[C@H]1CCCc2cc(C#N)ccc21 1662682046 VWKISUORQFACQS-NRFANRHFSA-N 321.468 4.573 30 20 DJED CC(C)C[C@H](NC(=O)Nc1cccc(CC#N)c1)c1ccccc1 1671984216 LIJITNWGJACXJJ-IBGZPJMESA-N 321.424 4.662 30 20 DJED C[C@H](C#N)Oc1ccc(/C=C/c2nc3cc(Cl)ccc3o2)cc1 110653173 WSYKFDLKEJHFLZ-OXFRDRNISA-N 324.767 4.942 30 20 DJED Cc1ccc(-c2nc(C)c([C@H](C)NCCCCC#N)s2)cc1 118954033 RXXCAMXKTAABJA-AWEZNQCLSA-N 313.470 4.771 30 20 DJED N#Cc1ccc(F)c(CNc2ccccc2CCC(F)(F)F)c1 133771910 AIELYBDYCKPZQE-UHFFFAOYSA-N 322.305 4.804 30 20 DJED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCCCCC#N 178640620 VHOZDSVTKOTXAU-LBPRGKRZSA-N 317.433 4.602 30 20 DJED C=C(C)CN(C)C(=O)Nc1ccc(OCc2ccccc2)cc1C 181730758 MAWNMHBDLFETJY-UHFFFAOYSA-N 324.424 4.614 30 20 DJED C=Cc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 192085823 BINHFAZPZJKYJD-CQSZACIVSA-N 322.433 4.976 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)cc1 254931107 ROGKONFDKOIYNM-HJWRWDBZSA-N 310.356 4.516 30 20 DJED Cc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1Cl 303234371 ZPBGAIOXCVASFR-UHFFFAOYSA-N 312.800 4.702 30 20 DJED CC(C)(C)C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccccc1 323165684 UKUUIHDZDWMHJT-LJQANCHMSA-N 310.416 4.964 30 20 DJED Cc1ccc(N=C(O)C2CCC(/N=C(/O)C3CC3)CC2)c(C)c1 329995424 NDSPDCABJHUPNV-UHFFFAOYSA-N 314.429 4.817 30 20 DJED C[C@H](Cc1cccc(Cl)c1)N[C@H](CCC#N)c1ccccc1 338446095 RLDVCWSEEJZXHV-DNVCBOLYSA-N 312.844 4.906 30 20 DJED CCSc1cc(Cl)ccc1C(=O)NCC(C)(C)CCC#N 359754648 CSKBQMPZPSRELB-UHFFFAOYSA-N 324.877 4.512 30 20 DJED C=CCN(C)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 429146484 XTJBSXZYBMQNRW-UHFFFAOYSA-N 316.788 4.782 30 20 DJED C=CCC[C@H](NC(=O)c1ccoc1)c1ccc(C(F)(F)F)cc1 441550006 ITGCOBYNZZABNZ-HNNXBMFYSA-N 323.314 4.736 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1ccc(CNc2ccccc2)cc1 443800918 MSHBKAQLWYSZKQ-HXUWFJFHSA-N 308.425 4.840 30 20 DJED CC#CCCCC(=O)Nc1ccc(-c2ccc(Cl)s2)cn1 448512046 KIGIHRZCYOCIAL-UHFFFAOYSA-N 318.829 4.596 30 20 DJED C=C1CCN(C(=O)C[C@@H](Cc2ccccc2)c2ccccc2)CC1 461112569 KJDZXFMJUXWTEA-OAQYLSRUSA-N 319.448 4.582 30 20 DJED CC#CCCCC(=O)N(Cc1ccco1)c1ccc(Cl)cc1 464565136 AFCKGEQCTJESAU-UHFFFAOYSA-N 315.800 4.660 30 20 DJED N#CC[C@H](CC(=O)Nc1ccc(F)cc1Cl)c1ccccc1 474099458 UNSKVFMAWGJDNM-CYBMUJFWSA-N 316.763 4.505 30 20 DJED CCOc1ccccc1CN[C@@H]1CCCCc2cc(C#N)ccc21 481654198 CPGXDNUSTXEDDI-HXUWFJFHSA-N 320.436 4.514 30 20 DJED CCCN(Cc1cc(C#N)n(C)c1)[C@@H](C)c1cc2ccccc2o1 483276019 CKZUSJUMUXBIAB-HNNXBMFYSA-N 321.424 4.616 30 20 DJED CC(C)(C#N)c1ccccc1CNc1ccc(F)c(Cl)c1 486431161 CLYKUHCRVIDOFJ-UHFFFAOYSA-N 302.780 4.892 30 20 DJED C=CC[C@@H](C(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 487603254 HMQJYYSNIKPLKU-OAHLLOKOSA-N 310.422 4.535 30 20 DJED C=CC[C@@H](C(=O)N[C@H](C)c1cccc(OCC)c1)c1ccccc1 488711946 PEIVDDGTZWLFEM-OXQOHEQNSA-N 323.436 4.622 30 20 DJED C[C@@H](CC1CCCCC1)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 511157268 RILDNTRRVXBVAM-SUMWQHHRSA-N 318.848 4.627 30 20 DJED N#C[C@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)C1CCCCC1 524536171 JOQUHITVKKEKFC-INIZCTEOSA-N 315.417 4.780 30 20 DJED C[C@@H](NCc1ccc(-c2ccccc2F)o1)c1ccc(C#N)cc1 524680640 LSYLTGOFALZFKK-CQSZACIVSA-N 320.367 4.808 30 20 DJED CCSc1ccc([C@@H](C)Nc2ccc(Cl)c(C#N)n2)cc1 524684561 OSIMSCOWXUYLDD-LLVKDONJSA-N 317.845 4.892 30 20 DJED N#CCc1ccc(C(=O)Nc2ccccc2-c2cccs2)cc1 535333071 OBWQBSUFEXEQBL-UHFFFAOYSA-N 318.401 4.733 30 20 DJED C=CCCC[C@H](C)NC(=O)c1occc1-c1ccc(F)cc1 538332640 JNRBXRDCVHLLCE-ZDUSSCGKSA-N 301.361 4.560 30 20 DJED C=CCOc1ccc(CN[C@H](C)Cc2ccsc2)cc1Cl 589643510 XYBQLHFGTFGQHM-CYBMUJFWSA-N 321.873 4.687 30 20 DJED Cc1cccc(-c2nnc(S[C@H](C#N)C3CCCCC3)o2)c1 609648641 WQAYDMPCSFGPEB-OAHLLOKOSA-N 313.426 4.610 30 20 DJED CC(=NNc1ccc(OCC(F)(F)F)cc1)c1ccc(C)cc1 727262236 OBAQMCISDHDEGN-UHFFFAOYSA-N 322.330 4.772 30 20 DJED C#Cc1cccc(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc23)c1 730742984 XJFFHIUIGMYUBN-SFTDATJTSA-N 311.384 4.563 30 20 DJED C=CCN(CC1CCCCC1)C(=S)Nc1cc(C)ccc1F 732625895 UNLJRFGBTRRCQU-UHFFFAOYSA-N 320.477 4.899 30 20 DJED C=CC[C@@H](NCc1ccc(-c2ccccc2)o1)c1ccncc1 734509270 JWFQQIUYXCSEFK-LJQANCHMSA-N 304.393 4.749 30 20 DJED CC(C)(C)c1ncc(/C=C2\Cc3c(Cl)cccc3C2=O)s1 736434434 SGKGBUHKZLZERY-JXMROGBWSA-N 317.841 4.916 30 20 DJED O=C1/C(=C/c2ccc3ncccc3c2)CCc2cc(F)ccc21 747440500 PPMPTYYGJNWIMI-LFIBNONCSA-N 303.336 4.586 30 20 DJED O=C(/C=C/c1ccc(F)c(C(F)(F)F)c1)c1ccccc1F 755568540 BNCCBPHWOFPVHB-SOFGYWHQSA-N 312.237 4.880 30 20 DJED Cc1ccc(C)c(NN=Cc2sccc2Br)c1 764897066 ULOKSCOCXHCGDX-UHFFFAOYSA-N 309.232 4.573 30 20 DJED CC(C)[C@H]1/C(=C/c2nc(Cl)cs2)C(=O)c2ccccc21 766506764 QXWFXNLAIFQJMU-WASHYIJTSA-N 303.814 4.816 30 20 DJED C#Cc1cccc(N(CC)C(=O)c2cccc3ccsc23)c1 767077054 CBHXXHBVESUGEB-UHFFFAOYSA-N 305.402 4.549 30 20 DJED C=CC[C@H](N[C@H](CC)c1cc(C)ccc1OC)c1ccncc1 772457565 XQUNHCADAUIOOA-MOPGFXCFSA-N 310.441 4.757 30 20 DJED C#CCCCCNC(=O)c1cc(C)ccc1SC1CCCC1 776333557 AJIPNQYOTNMEAY-UHFFFAOYSA-N 315.482 4.563 30 20 DJED CC(C)(C#N)c1ccccc1COC(=O)c1csc(Cl)c1 786351176 LMTYJGNXMLLNEE-UHFFFAOYSA-N 319.813 4.560 30 20 DJED O=C(/C=C\c1cccc(C(=O)O)c1Cl)c1ccccc1Cl 787168845 YAJJBXOCTCGSLY-HJWRWDBZSA-N 321.159 4.588 30 20 DJED Cc1ccccc1[C@H](Nc1nc(Cl)c(C#N)s1)C1CC1 804451428 JIVOGYUMWAYRIE-CYBMUJFWSA-N 303.818 4.540 30 20 DJED C#CC[C@@H](NCc1cscc1C(F)(F)F)c1ccccc1 811485190 BZWJKFGITLLZMH-OAHLLOKOSA-N 309.356 4.621 30 20 DJED Cc1nn(C(C)C)cc1/C=C/C(=O)c1c(C)oc2ccccc12 834456054 VADLAPROZBGTKT-MDZDMXLPSA-N 308.381 4.723 30 20 DJED CC(=NNc1ccc(C#N)cc1)c1cc(Cl)ccc1Cl 915963352 ZKUGNZSGEKHTQU-UHFFFAOYSA-N 304.180 4.701 30 20 DJED O=C1/C(=C\c2ccc(OC(F)F)cc2)Cc2c(Cl)cccc21 921264470 UNVQQJWIPFCIOA-FLIBITNWSA-N 320.722 4.764 30 20 DJED Cc1c(C(=O)O[C@H](C)c2ccc(C#N)cc2)oc2ccc(F)cc12 1126712578 HQVUAZUXKKFSTI-GFCCVEGCSA-N 323.323 4.670 30 20 DJED Cc1nc(N2CCC(C)(CC(C)C)CC2)c(Cl)cc1C#N 1163432281 RKEGGSMFGPADQZ-UHFFFAOYSA-N 305.853 4.568 30 20 DJED CN(Cc1cc(Cl)cc(Cl)c1)Cc1ccc(F)c(C#N)c1 1205502415 UYGCJGVMVWUCGP-UHFFFAOYSA-N 323.198 4.636 30 20 DJED CCN(Cc1ccc(Cl)c(Cl)c1)c1cc(C)c(C#N)cn1 1306940438 SYZLMYWWGJMGIM-UHFFFAOYSA-N 320.223 4.595 30 20 DJED C[C@@H](NC(=O)CC1(C#N)CCCCC1)c1cccc2ccccc12 1353596485 OMDJSAARMZLIKE-MRXNPFEDSA-N 320.436 4.881 30 20 DJED CC1(C)C(C(=O)Nc2sc(-c3ccccc3)cc2C#N)C1(C)C 1355949423 NSIQIHSDFFSKKP-UHFFFAOYSA-N 324.449 4.907 30 20 DJED N#CC1(CC(=O)N(C2CC2)[C@H]2CCc3ccccc32)CCCCC1 1356461913 UTBOATPZDPKHKV-IBGZPJMESA-N 322.452 4.529 30 20 DJED N#Cc1ccc(OCc2ccc(Br)c(Cl)c2)cc1 1458819432 UMMDMEDZCRQIAJ-UHFFFAOYSA-N 322.589 4.553 30 20 DJED Cc1ccc([C@H]2C[C@@H](C)N(Cc3ccc(C#N)cc3C)C2)cc1 1460026992 DBKAEGADWPJWNI-UTKZUKDTSA-N 304.437 4.553 30 20 DJED Cc1nc(N[C@@H]2C[C@H](C)C[C@@H](c3ccccc3)C2)ccc1C#N 1472804482 BKALNDZUMQKKNU-NIKGAXFTSA-N 305.425 4.646 30 20 DJED N#CC1(CN2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 1473445100 ZOWGPTCXMBUNQK-INIZCTEOSA-N 322.374 4.926 30 20 DJED C[C@H](CC(=O)N(C)c1ccc(C#N)c(Cl)c1)C1CCCCC1 1531509555 OWMKSYNJCJCOHX-CYBMUJFWSA-N 318.848 4.781 30 20 DJED Cc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3s2)cc1C#N 1538704665 UVFZIEBJKALEEB-ZDUSSCGKSA-N 320.417 4.572 30 20 DJED CCC(CC)CN(CCC#N)C(=O)[C@H](C)CC1CCCCC1 1585341745 FADGGTCVWYEJSG-MRXNPFEDSA-N 306.494 4.771 30 20 DJED C=C(Cl)CNC(=O)c1ccc(Oc2ccccc2Cl)cc1 1618046671 BSIANZPPMAJLBK-UHFFFAOYSA-N 322.191 4.615 30 20 DJED Cc1ccc2c(c1)O[C@@H](C)CN2Cc1ccccc1C(C)(C)C#N 1644766530 CXXUILGLJDCGPT-INIZCTEOSA-N 320.436 4.584 30 20 DJED Cc1nc(SC[C@@H](C)c2ccccc2)c(Cl)cc1C#N 1651821928 KUFHVUPOKKAKFO-LLVKDONJSA-N 302.830 4.811 30 20 DJED CC(C)C[C@H](Cc1ccc(Cl)cc1Cl)NC[C@H](C)C#N 1652169268 HRJURFVQZSVVRV-IUODEOHRSA-N 313.272 4.700 30 20 DJED C[C@H]1[C@H](Cc2ccccc2)CCN1Cc1ccc(Cl)cc1C#N 1652670003 WFUASXIQYMPJDA-RDJZCZTQSA-N 324.855 4.665 30 20 DJED CCCc1ccc(CN2CCC(c3ccc(C#N)cc3)CC2)s1 1653171541 LLTUXFKBWZENFE-UHFFFAOYSA-N 324.493 4.952 30 20 DJED CC(C)CC[C@H]1CC[C@@H](NCc2ccc(C#N)c(Cl)c2)C1 1656146952 ZDIDZRMRCIWAJW-WMLDXEAASA-N 304.865 4.906 30 20 DJED CCCC[C@@H](C)N(CCCC)C(=O)Nc1cc(C#N)ccc1F 1672126419 XDWQUUDNRDRNOF-CQSZACIVSA-N 319.424 4.910 30 20 DJED C=C(CNC(=O)N[C@H](CC(C)C)c1ccccc1)c1ccccc1 1681836663 VZNKEEFOCWJEOY-HXUWFJFHSA-N 322.452 4.786 30 20 DJED C[C@@H]1C(=NNc2ccc(-c3ccccc3)cc2)CC[C@H]1CC(=O)O 1776059820 MJVRDYBVYQJNNK-YOEHRIQHSA-N 322.408 4.642 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)c2cccc3ccccc23)cc1 25438337 FKCMMKLWNXOFAJ-UHFFFAOYSA-N 314.388 4.893 30 20 DJED N#C[C@H](C(=O)c1ccc2ccccc2c1)c1ccc2ccccc2n1 48852346 FEHICSVBGBSTPE-IBGZPJMESA-N 322.367 4.878 30 20 DJED CC(C)[C@H](NCc1cc(C#N)cs1)c1ccc(Cl)cc1 93492226 WUJNZKDJCRKZNY-INIZCTEOSA-N 304.846 4.760 30 20 DJED CCCCCCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 154809611 VGOOSHWBIPSWAK-OAHLLOKOSA-N 312.438 4.957 30 20 DJED CC(C)(C)Oc1c(F)cc(N[C@@H]2CCC[C@@H](C#N)C2)cc1F 185896292 SPNUOSQKCSOAEQ-VXGBXAGGSA-N 308.372 4.636 30 20 DJED CCc1c(C(=O)/C=C\c2ccc(C#N)cc2)oc2ccccc12 209984219 RCQDNCKBKWKKSD-QXMHVHEDSA-N 301.345 4.763 30 20 DJED CC(C)(C#N)CCCCOc1ccc(F)c(Br)c1 232520592 JEGBILQGSOPGEK-UHFFFAOYSA-N 314.198 4.687 30 20 DJED N#Cc1ccnc(SCc2ccc(-c3ccccc3)cc2)c1 302963208 QOGDUQSFMLWMBI-UHFFFAOYSA-N 302.402 4.913 30 20 DJED N#Cc1cc(F)ccc1COc1ccccc1-c1ccccc1 303209930 QWPCLXISIHMAIA-UHFFFAOYSA-N 303.336 4.943 30 20 DJED CC1(C)CCCC[C@@H]1C(O)=Nc1cccc([C@H]2CN=C(O)C2)c1 329886118 VQZDWUOLWFWMJC-GDBMZVCRSA-N 314.429 4.935 30 20 DJED N#CC1(/C(O)=N/[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)CCCCC1 329925373 VKQQJCCFMXRILL-NVXWUHKLSA-N 314.404 4.892 30 20 DJED CC(C)Oc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 341760302 LGABOJYTEAQWEG-OAQYLSRUSA-N 320.436 4.513 30 20 DJED Cc1cc(-c2nc(C3CC3)no2)ccc1NCC(C)(C)CCC#N 346396934 UNAVHWFXYBZYJQ-UHFFFAOYSA-N 324.428 4.664 30 20 DJED CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2cc(OC)ccc2c1 424333898 URGSKWCDSOUGKB-QMIHWGKISA-N 308.425 4.581 30 20 DJED C[C@H](c1ccco1)N(Cc1ccc(C#N)cc1Cl)C1CC1 439439182 FAPYWDDFKSHNRM-GFCCVEGCSA-N 300.789 4.530 30 20 DJED C=CCC[C@H](NC(=O)[C@H](CC)CC(F)(F)F)c1ccccc1 450179012 BUYQUTFZHJYVJL-HIFRSBDPSA-N 313.363 4.789 30 20 DJED CC[C@@H](C)C[C@H](C)NC(=O)c1ccccc1-c1ccccc1C#N 463912196 ZWJKXIPUSRCSFL-CVEARBPZSA-N 320.436 4.780 30 20 DJED C=C(C)C[C@@H](C)C(=O)Nc1sc(C)nc1-c1ccccc1 466860018 VKLIDTCMXHQROA-GFCCVEGCSA-N 300.427 4.659 30 20 DJED COc1cc(N[C@@H]2CCCCc3cc(C#N)ccc32)ccc1F 481993159 SJOKHQRMXVPBNZ-GOSISDBHSA-N 310.372 4.586 30 20 DJED N#Cc1cc(F)ccc1CSCCCCC1CCOCC1 507702548 MAUPXMDKXMHMTK-UHFFFAOYSA-N 307.434 4.527 30 20 DJED C=CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)[nH]1 518921049 GAXWJNJCJZCUSU-UHFFFAOYSA-N 316.404 4.510 30 20 DJED Cc1cc(SC2CCCCC2)ccc1NC(=O)[C@@H](C)C#N 524067724 IFIGLHNJUQXCPM-ZDUSSCGKSA-N 302.443 4.518 30 20 DJED CSCCCN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 541083941 CRPUDDPKIIMDKA-HNNXBMFYSA-N 310.466 4.629 30 20 DJED CC(C)C(C)(C)NCc1cccc(OCc2ccccc2C#N)c1 554386903 AWTBTESZDCVPRP-UHFFFAOYSA-N 322.452 4.661 30 20 DJED C=CCC[C@@H](NCc1c(F)cccc1SC)c1ccco1 560574875 QIFXVWYGJINRHX-OAHLLOKOSA-N 305.418 4.938 30 20 DJED C=C(C)CCc1noc([C@H](Oc2ccccc2)c2ccccc2)n1 582353225 VRRVCIAQHNIYHU-LJQANCHMSA-N 320.392 4.747 30 20 DJED Cc1ccc(-c2csc(NC(=O)CCCCCC#N)n2)cc1 588264611 UXFPHNZUXMXWSG-UHFFFAOYSA-N 313.426 4.531 30 20 DJED CN(Cc1csc2ccccc12)c1nc(C#N)c(Cl)s1 590571935 HOWXHKUJRCFWGN-UHFFFAOYSA-N 319.842 4.519 30 20 DJED C[C@H](C(=O)Nc1ccccc1C#N)c1c(Cl)cccc1Cl 609579496 YGJMSXBRQQVJIT-JTQLQIEISA-N 319.191 4.607 30 20 DJED Cc1cc([C@@H](C)NCc2ccc(C#N)c(Cl)c2)c(C)s1 619755028 RDGMHSJOLBDDSN-LLVKDONJSA-N 304.846 4.741 30 20 DJED CCCCCCC[C@@H](C)CNC(=O)c1cc2c(s1)CCOC2 728468853 RDRJTCPLKUSVML-CQSZACIVSA-N 323.502 4.547 30 20 DJED CCCCCCCC(=O)N1CCO[C@@H](c2ccccc2Cl)C1 728876695 SBSOCOPQUHOMHM-QGZVFWFLSA-N 323.864 4.600 30 20 DJED CC(C)c1ccc(C(=O)/C=C\c2cccc(OCC#N)c2)cc1 730151442 KMCKTXZLWGUITB-WDZFZDKYSA-N 305.377 4.608 30 20 DJED CC(C)(C)c1ncc(/C=C2/CCc3sccc3C2=O)s1 736433693 JIARYULTEGPMMV-NTMALXAHSA-N 303.452 4.715 30 20 DJED CC(=NNc1cccc(C(F)(F)F)n1)c1cc(C)sc1C 739421611 MSHGOJVUFCQYLL-UHFFFAOYSA-N 313.348 4.615 30 20 DJED COCc1ccc(/C=C/C(=O)c2cc3ccc(C)cc3o2)cc1 754823511 DAOAVYWFVLDMPR-CSKARUKUSA-N 306.361 4.784 30 20 DJED C[C@H](C#N)Oc1ccc(CN2CCC3(CCCCC3)CC2)cc1 769313603 UMRUTMPJOQVNOH-QGZVFWFLSA-N 312.457 4.524 30 20 DJED C[C@@H](NCCCCC1CCCC1)c1ccc(OCC#N)cc1 776162159 CNBCWRQRGMBPDH-MRXNPFEDSA-N 300.446 4.600 30 20 DJED N#Cc1cc(Cl)ccc1COC(=O)c1cccc(C(F)F)c1 780036275 CGFAVBMFXKZABK-UHFFFAOYSA-N 321.710 4.506 30 20 DJED CCCCCCCCC(=O)N[C@@H]1CCCc2cn(C(C)C)nc21 781060883 ZVSNTKQXARTHRI-QGZVFWFLSA-N 319.493 4.708 30 20 DJED C=CCC[C@@H](NC(=O)CCCc1ccsc1)c1ccccc1 783443814 GWBUUXUWMVOTNP-GOSISDBHSA-N 313.466 4.895 30 20 DJED O=C1/C(=C/c2ccc(C(F)F)cc2)CCc2c(O)cccc21 794942419 MUQNUHRBLAUWIC-JLHYYAGUSA-N 300.304 4.542 30 20 DJED C=CC[C@H](OC(=O)C(C)(C)C#N)c1ccc(Cl)c(Cl)c1 797553819 LGHLMISCYOBKMY-ZDUSSCGKSA-N 312.196 4.704 30 20 DJED CCCCc1ccc(N(C)CCCC2(C#N)CCOCC2)cc1 799141127 QAAPAKYYVYTPNN-UHFFFAOYSA-N 314.473 4.566 30 20 DJED C#Cc1ccc(CNc2cccc(C3SCCS3)c2)cc1 809598201 DBPFBSMWWFQKLT-UHFFFAOYSA-N 311.475 4.759 30 20 DJED Fc1cc(F)c(NN=Cc2cscc2C(F)(F)F)cc1F 811644052 RFGGIWXUADAAKS-UHFFFAOYSA-N 324.249 4.630 30 20 DJED CCN(C(=O)/C=C(\C)c1cccs1)[C@H](C)c1ccc(C#N)cc1 857136803 RYJFMYVUGJWTQW-OKFGHLOFSA-N 324.449 4.633 30 20 DJED C#CC[C@@H](N[C@H](C)c1ccc(C(F)(F)F)cn1)c1ccccc1 902888005 OWIKYXFGFLCULU-CXAGYDPISA-N 318.342 4.516 30 20 DJED CCSCc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1 1128988492 YIWURDSAOCTLSH-UHFFFAOYSA-N 316.470 4.742 30 20 DJED CCC(C)(C)c1ccc(C(=O)Nc2cccc(CC#N)c2)cc1 1129089988 RHIFCUZDQHTXNS-UHFFFAOYSA-N 306.409 4.693 30 20 DJED C[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)c1c(F)cccc1F 1164185625 OHNNYSHFTUHSBS-LLVKDONJSA-N 315.367 4.702 30 20 DJED CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNc1snc(Cl)c1C#N 1185116870 MUXKKZBKDZSVGY-UTUOFQBUSA-N 311.882 4.788 30 20 DJED N#Cc1cc(F)ccc1CN1CCC(=Cc2cccc(F)c2)CC1 1307595394 IHHAAXLWVVKKHY-UHFFFAOYSA-N 324.374 4.516 30 20 DJED CCCC[C@@H]1CCC[C@@H]1NCc1cc(Cl)ccc1OCC#N 1473356376 XGDQSPDNXHLZSV-PBHICJAKSA-N 320.864 4.691 30 20 DJED COc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1C(C)(C)C 1473963333 UTMYOHNLYTWDQZ-OAHLLOKOSA-N 322.452 4.715 30 20 DJED N#CC1(C(=O)OCc2cc(Cl)sc2Cl)CCCCC1 1525715616 KSGYGKBISIRRQZ-UHFFFAOYSA-N 318.225 4.572 30 20 DJED N#C[C@H]1CCC[C@@H](OC(=O)C2(c3cccs3)CCCCC2)C1 1584703417 QXLAXNPYUBQZCC-LSDHHAIUSA-N 317.454 4.576 30 20 DJED C=C(Cl)CNC(=O)c1cccc(Oc2ccc(Cl)cc2)c1 1586506076 JPMHHPLHSVEHSU-UHFFFAOYSA-N 322.191 4.615 30 20 DJED C[C@H](C(=O)O[C@H]1CCC[C@H](C#N)C1)c1ccc2ccccc2c1 1596977851 JCNQQWKEOQAYGX-DOXZYTNZSA-N 307.393 4.569 30 20 DJED Cc1nc(NCC(C)(C)c2ccc(C(C)(C)C)cc2)ccc1C#N 1639725824 CLLXCEVREHJRCH-UHFFFAOYSA-N 321.468 4.949 30 20 DJED Cc1ccc(C)c(-n2ccnc2SCC2(C#N)CCCC2)c1 1640755699 WORVBPLIHFOADC-UHFFFAOYSA-N 311.454 4.665 30 20 DJED C[C@H](NCCc1cccc(Cl)c1Cl)c1cccc(C#N)c1 1648287219 UBPANGFZDKLRCD-LBPRGKRZSA-N 319.235 4.758 30 20 DJED CCOc1ccc(C#N)cc1N[C@H](C)Cc1ccc(Cl)cc1 1652158221 AKJIXZVBIIGVDD-CYBMUJFWSA-N 314.816 4.653 30 20 DJED Cc1ccc2sc(SCc3ccc(F)cc3C#N)nc2c1 1653089657 LAEKSXDFYFWLPR-UHFFFAOYSA-N 314.410 4.908 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1ccsc1Cl 1776787097 PWCBCDCPBIKLNH-CYBMUJFWSA-N 317.882 4.695 30 20 DJED C=CCN(Cc1cccs1)C(=S)Nc1ccc(C)c(F)c1 7380910 JYCDYJPDAUHUIF-UHFFFAOYSA-N 320.458 4.581 30 20 DJED CCC(C)(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N 73083538 MJLWPKCCZUBILI-CYBMUJFWSA-N 304.459 4.846 30 20 DJED N#CCCCOc1cccc(NCc2c(F)cccc2Cl)c1 79724159 ZXDBIPIORCNDAJ-UHFFFAOYSA-N 318.779 4.774 30 20 DJED CCOc1cccc2cc(C(=O)/C=C\c3cccc(C#N)c3)oc12 96939796 WMAYJVMAXNLYHU-KTKRTIGZSA-N 317.344 4.599 30 20 DJED Cc1cccc(N[C@@H](C)c2cccc(C#N)c2)c1Br 131398747 CJTKMYIKNCFAPY-LBPRGKRZSA-N 315.214 4.802 30 20 DJED CC(C)c1ccsc1C(=O)[C@H](C#N)c1ccc2ccccc2n1 147965115 PADHGBSFINCKMD-OAHLLOKOSA-N 320.417 4.910 30 20 DJED Cc1ccc(CNc2ccccc2O[C@@H](C)C#N)cc1Cl 195449700 YGFUTXJWJLJNFR-ZDUSSCGKSA-N 300.789 4.551 30 20 DJED C[C@@H](Nc1cc(F)ccc1Br)c1cccc(C#N)c1 232237643 NPVICXJUSQZXNB-SNVBAGLBSA-N 319.177 4.633 30 20 DJED CC(C)(Cc1ccc(Cl)cc1Cl)NCc1ccc(C#N)o1 236762225 JIOMBFALYQZDLT-UHFFFAOYSA-N 323.223 4.569 30 20 DJED N#CCc1ccc(NCc2csc(-c3cccs3)n2)cc1 237835835 DXNGWJGNCKTHEA-UHFFFAOYSA-N 311.435 4.550 30 20 DJED C[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccc(C#N)c1 301345054 KABMGTCTXUJPEY-NSHDSACASA-N 315.298 4.622 30 20 DJED CN(C(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C)C1(C#N)CCC1 303432240 FAKQJQYHIHEEPT-UHFFFAOYSA-N 324.468 4.554 30 20 DJED C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1[C@H](C)c1ccc(C#N)cc1 303916082 VEZDINXVODKUML-SPYBWZPUSA-N 308.400 4.636 30 20 DJED CC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(OC)cc1 341760829 MTCVUCOACGAFAZ-LEWJYISDSA-N 320.436 4.685 30 20 DJED CC[C@](C)(NCCC1(C#N)CCCCC1)c1nc(C)cs1 411394856 YMGORRGFYOAKSC-INIZCTEOSA-N 305.491 4.531 30 20 DJED C=CCC[C@@H](NCc1ccnn1C1CCCC1)c1ccccc1 449198813 DMBCGLZYKJCFQW-HXUWFJFHSA-N 309.457 4.795 30 20 DJED C[C@@H](CCCc1cccnc1)Nc1cccc(OCCCC#N)c1 453161891 JPLSZQSICHHJCM-KRWDZBQOSA-N 323.440 4.587 30 20 DJED CSc1ccccc1CN(C)Cc1ccc(C#N)cc1Cl 471007409 PUCDXMRKCKXHES-UHFFFAOYSA-N 316.857 4.566 30 20 DJED C=CCCCCNC(=O)N(CCC)[C@@H](C)c1ccccc1OC 472841391 NRKMXZIRFBSNDD-INIZCTEOSA-N 318.461 4.534 30 20 DJED C=CCCC1(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 474212256 NRZGUFROVATGOE-UHFFFAOYSA-N 312.240 4.698 30 20 DJED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)Cc1ccc(C#N)cc1 507205359 VZBONPUHWRESOA-ZDUSSCGKSA-N 318.342 4.770 30 20 DJED N#CC1(CCCSCCCCC(F)(F)F)CCOCC1 512315401 TWAKPYLYKJGOJC-UHFFFAOYSA-N 309.397 4.553 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1cc(Cl)ccc1SC(C)C 522655531 PIRBHKGTPKFPHE-LLVKDONJSA-N 312.866 4.927 30 20 DJED CC(C)Oc1ccc(CNc2cc(C#N)c3ccccc3n2)cc1 522935938 VKLPQFMBTHCXPE-UHFFFAOYSA-N 317.392 4.506 30 20 DJED Cc1ccc(C(=O)CSc2ccc(C#N)cc2Cl)s1 532856092 DETDGMAXJPPLKO-UHFFFAOYSA-N 307.827 4.557 30 20 DJED N#CCc1ccc(C(=O)N2CCCCC[C@H]2c2ccccc2)cc1 534642254 ABHKGTGAUJDMDI-FQEVSTJZSA-N 318.420 4.510 30 20 DJED CC(C)(CCC#N)CNC(=O)c1cccc(Oc2ccccc2)c1 553730865 BSGRVGPDTFBRBR-UHFFFAOYSA-N 322.408 4.539 30 20 DJED N#C[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)C1 562764117 CLBVSBPFTVVIFJ-RPCCPQHDSA-N 322.374 4.623 30 20 DJED C=CC[C@@H](C)NC(=O)N1CC=C(c2cccc3ccccc23)CC1 580975557 ZLFQPHYCCYXYMY-MRXNPFEDSA-N 320.436 4.603 30 20 DJED C=C(C)COc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2C)c1 589739258 LZXFMKZIGLNLHU-QAPCUYQASA-N 316.445 4.684 30 20 DJED Cc1cc(-c2ccc(C3(C#N)CCOCC3)cc2)c(F)cc1F 592986831 LQWXGJJYXUUBTI-UHFFFAOYSA-N 313.347 4.512 30 20 DJED Cc1cc(O)c(C(C)C)cc1NC(=O)CC1(C#N)CCCCC1 597422907 YFOLKAPZZRLCDK-UHFFFAOYSA-N 314.429 4.627 30 20 DJED CC[C@@H]1CCC[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 610140784 QFBOZXMOZALMOF-PBHICJAKSA-N 313.445 4.578 30 20 DJED CC[C@@H](c1ccc(Br)cc1)N1CCC[C@@](C)(C#N)C1 612165063 KBUTYWUEWHXIEN-HOTGVXAUSA-N 321.262 4.526 30 20 DJED C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc2ccccc2n1 619755266 VBPKJMHDVKNHPE-ZDUSSCGKSA-N 321.811 4.611 30 20 DJED Cc1ccc2c(c1)[C@H](NCc1ccc(C#N)c(Cl)c1)[C@H](C)C2 619755915 YUHWHWZMZYXMBY-BFUOFWGJSA-N 310.828 4.543 30 20 DJED C=C(C)[C@@H](NC(=O)c1cc(C)sc1C)c1ccc(F)c(F)c1 681245018 JWVDULSNLCGEFX-MRXNPFEDSA-N 321.392 4.690 30 20 DJED O=C1/C(=C/c2cccc(Br)c2)CCc2sccc21 726894421 ZJQFVDMEYMWKIJ-DHZHZOJOSA-N 319.223 4.723 30 20 DJED COc1cccc(/C=C\C(=O)c2nc(-c3ccccc3)cs2)c1 730085615 RCJUWUPRRTZORE-KHPPLWFESA-N 321.401 4.715 30 20 DJED C[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(C)(C)C 734390951 GWUQKFHUDCHUJQ-DNVCBOLYSA-N 320.436 4.963 30 20 DJED CC(=NNc1cccc(C(F)(F)F)n1)c1ccc(C)cc1C 739422239 SDDLQOHYPVBKKW-UHFFFAOYSA-N 307.319 4.553 30 20 DJED CCCOc1ccc(/C=C\C(=O)C2CCCCC2)cc1OC 747003749 NXNSRSVSJXBREN-LUAWRHEFSA-N 302.414 4.647 30 20 DJED Cc1cc2cc(C(=O)/C=C/c3ccc(C#N)s3)oc2cc1C 749133406 ZHFSOGILZIYZRN-AATRIKPKSA-N 307.374 4.879 30 20 DJED C#CC[C@H](NCc1nc(-c2ccccc2)cs1)c1ccccc1 756997315 LTMMRDLKDNWCNZ-SFHVURJKSA-N 318.445 4.664 30 20 DJED Cc1ccc2c(c1)OCCCC2=NNc1cccc2cnccc12 763172504 OJAWQGPFYXVMBV-UHFFFAOYSA-N 317.392 4.532 30 20 DJED O=C1/C(=C\c2cccnc2Cl)Cc2cc(Cl)cc(Cl)c21 764433401 PWIFVAQFILTJFO-WMZJFQQLSA-N 324.594 4.864 30 20 DJED CC(=NNc1ccc(Cl)c(Cl)c1)C1CCSCC1 777432467 PXHRMCDHHMUHPD-UHFFFAOYSA-N 303.258 4.924 30 20 DJED Cc1cc2c(cc1C)C(=O)/C(=C/c1ccc(C#N)s1)CS2 777469628 HPXWVYYDASWCGD-KPKJPENVSA-N 311.431 4.609 30 20 DJED COc1ccc(/C=C\C(=O)c2cc3ccccc3o2)c(Cl)c1 796992553 SJLFSOWQCMKNJA-CLFYSBASSA-N 312.752 4.991 30 20 DJED CCC(CC)[C@H](C)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797567932 CSBYWCIWVBFNHD-AAEUAGOBSA-N 306.475 4.689 30 20 DJED O=C(/C=C\c1cc(F)ncc1F)c1ccc(Cl)c(Cl)c1 806566057 WXCDLTUPKUAUAH-RQOWECAXSA-N 314.118 4.563 30 20 DJED O=C1/C(=C\c2cccc3ccccc23)Cc2nc(Cl)ccc21 806578101 NGHWKTMOOHVRLN-UVTDQMKNSA-N 305.764 4.711 30 20 DJED N#CCC1(OC(=O)Cc2coc3ccc4ccccc4c23)CCC1 810860752 CIYFVBGVKLQGRV-UHFFFAOYSA-N 319.360 4.508 30 20 DJED CCc1ccc(C(=O)/C=C/c2cscc2C(F)(F)F)o1 811691567 OGNJCFHBPBRDNQ-HWKANZROSA-N 300.301 4.818 30 20 DJED C=C(Cl)COc1ccc([C@@H](C)NCC2CC(F)(F)C2)cc1 813872992 MNZUSILGVFCGEP-GFCCVEGCSA-N 315.791 4.514 30 20 DJED CC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C)cc1O 841761768 KWTAJHBFUAGCMI-WOJBJXKFSA-N 320.436 4.691 30 20 DJED Cc1ccsc1C/N=C/c1cc(Cl)cc(Cl)c1O 914557464 GDSXYAQTOOJYBC-OMCISZLKSA-N 300.210 4.688 30 20 DJED O=C(/C=C\c1ccc(-c2ccc(Cl)cc2)o1)c1cccnc1 916137352 WTWMDGCWWRMQEL-CLFYSBASSA-N 309.752 4.891 30 20 DJED CN(C)c1ccc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)cc1 916137481 YEWWMYWUIHZCPG-DHZHZOJOSA-N 319.326 4.668 30 20 DJED CSc1ccc(C(C)=NNc2nc3ccccc3s2)cc1 916246826 TZHCDLAULIBGMN-UHFFFAOYSA-N 313.451 4.854 30 20 DJED COc1cc(OC)c(C(C)=NNc2ccc(C)cc2)cc1Cl 916250371 XHQZDCRRHAKVDQ-UHFFFAOYSA-N 318.804 4.502 30 20 DJED CCCCCCCCCN(C)C(=O)c1cc(-c2ccco2)on1 918686775 XHPGYEZUOCMZDP-UHFFFAOYSA-N 318.417 4.757 30 20 DJED C[C@H](NN=Cc1ccccc1OC1CCCC1)c1ccccc1 920382172 DPMMOAPHDWEEMD-INIZCTEOSA-N 308.425 4.693 30 20 DJED CCc1c(C)sc(NC(=O)c2coc3c(C)cccc23)c1C#N 1125717812 PYSGMGVXVPZCCD-UHFFFAOYSA-N 324.405 4.798 30 20 DJED Cc1ccccc1[C@H](C)Sc1nc2c(cc1C#N)CCCC2 1188565798 SCLUYBDMFKVUIC-AWEZNQCLSA-N 308.450 4.994 30 20 DJED N#Cc1cccc(Br)c1SCc1ccccc1 1306915126 NEFHCHCTMBDCPZ-UHFFFAOYSA-N 304.212 4.613 30 20 DJED Cc1cc(N[C@@H](CC(C)(C)C)c2ccc(F)cc2)ncc1C#N 1306934112 XPJYCGBVBDEQBQ-KRWDZBQOSA-N 311.404 4.990 30 20 DJED C(=Nn1cnc2ccccc21)c1ccc(-c2ccccc2)s1 1317703545 NYSJHNIZVYXKNR-UHFFFAOYSA-N 303.390 4.647 30 20 DJED C#Cc1cccc(N(C)C(=O)c2ccc(-c3cccs3)s2)c1 1320136929 NJSVTWNFTYPWLP-UHFFFAOYSA-N 323.442 4.735 30 20 DJED Cc1cc(C#N)nc(N[C@@H](c2ccc(C(C)C)cc2)C(C)C)n1 1458073806 FBVAPXBBKRRQEP-GOSISDBHSA-N 308.429 4.589 30 20 DJED CCC1(CC)CN(C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1466648003 DOPGJVOLLIJNTR-UHFFFAOYSA-N 319.474 4.571 30 20 DJED CC[C@H](CC(C)C)C(=O)Nc1sc2c(c1C#N)CCCCC2 1521563957 CDEBLEHOMQTRMZ-CYBMUJFWSA-N 318.486 4.899 30 20 DJED CN(Cc1cccc2ccccc12)C(=O)CC1(C#N)CCCCC1 1543125208 ZNVFYYZTTCAMKS-UHFFFAOYSA-N 320.436 4.662 30 20 DJED N#Cc1nc(NC[C@@H]2CCC[C@H]2c2ccccc2)ccc1Cl 1559198964 MWNUBUUQXDFXHT-GJZGRUSLSA-N 311.816 4.602 30 20 DJED CC(C)(C)c1ccc(C#N)c(OCc2ccc(C(F)F)cc2)n1 1559428718 UIZVBTAXPZJFFI-UHFFFAOYSA-N 316.351 4.767 30 20 DJED CCc1ccc(CCN2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 1559555179 TZRWZNQJZBFQDU-VXKWHMMOSA-N 318.464 4.563 30 20 DJED C[C@H](c1ccccc1)c1ccc(Oc2ccncc2C#N)cc1 1642234987 DAUSFBMLKRMWAM-OAHLLOKOSA-N 300.361 4.897 30 20 DJED Cc1cccc(C)c1CN(C)c1nc(C(C)(C)C)ccc1C#N 1643243708 LOTSDNHYOSZIOU-UHFFFAOYSA-N 307.441 4.504 30 20 DJED Cc1nc(N[C@H](c2ccc(F)cc2)C(C)C)c(Cl)cc1C#N 1651790750 PUFIHJBHQHISAB-INIZCTEOSA-N 317.795 4.863 30 20 DJED CO[C@@H](COc1ccc(C#N)cc1Cl)c1ccc(Cl)cc1 1652547678 MSLRVYHBUIPGQM-INIZCTEOSA-N 322.191 4.632 30 20 DJED CCC[C@H]1[C@@H](C)CCCN1c1ccc(C#N)c(Br)c1 1655191557 GBILVASPYZSYMN-LRDDRELGSA-N 321.262 4.726 30 20 DJED Cc1cc(CN[C@@H]2CCC(C)(C)c3ccccc32)ccc1C#N 1655566228 RYMCGSZHHGIDQQ-HXUWFJFHSA-N 304.437 4.769 30 20 DJED C[C@H]1C[C@H](N(C)Cc2cccc(C#N)c2)c2ccsc2S1 1657578953 JQFPHURSGPSWPW-LRDDRELGSA-N 314.479 4.677 30 20 DJED CC[C@H](Cc1ccc(C)cc1)N(CC)Cc1cccc(F)c1C#N 1658232064 SQYJSSPFMXOIJU-LJQANCHMSA-N 324.443 4.849 30 20 DJED Cc1cc(C#N)ccc1CN1CCc2c(cccc2C(C)C)C1 1658515837 PSNNBWWYKOQWPL-UHFFFAOYSA-N 304.437 4.548 30 20 DJED CCN(Cc1cccc(Oc2ccc(Cl)cc2)c1)[C@@H](C)C#N 1659559487 SOIOQOYYLNREME-AWEZNQCLSA-N 314.816 4.866 30 20 DJED CCCCCCC[C@H](C)CNc1c(C(=O)O)cccc1[N+](=O)[O-] 1776782312 FSRCAXOHVAXVCF-ZDUSSCGKSA-N 322.405 4.702 30 20 DJED CC(C)CCN(C)C(=O)Nc1ccccc1S[C@H](C)CC#N 66955702 ZKEIZQXGIVQVDI-CQSZACIVSA-N 319.474 4.591 30 20 DJED C=CCc1ccccc1OCc1csc([C@@H](C)OCC)n1 76695159 GCPXUGZSGGDVQQ-CYBMUJFWSA-N 303.427 4.548 30 20 DJED Cc1ccc(C(=O)Nc2ccccc2SCCC#N)cc1C 78568686 QTQNMMUQWKHHOI-UHFFFAOYSA-N 310.422 4.562 30 20 DJED CCCOc1cccc(/C=C/C(=O)c2c[nH]c3ccccc23)c1 83192633 UMPUCLWEHHRWSJ-ZHACJKMWSA-N 305.377 4.853 30 20 DJED CC[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(N(C)C)cc1 90665340 JOLIQPQOLGHCKC-NHCUHLMSSA-N 321.468 4.838 30 20 DJED CCCOc1ccc(CN[C@H](CCC#N)c2ccccc2)cc1 130611655 ZTJSPTYQMSKAMI-HXUWFJFHSA-N 308.425 4.610 30 20 DJED Cc1ncc(CSCc2ccccc2C(C)(C)C#N)s1 134012395 GOBSLEVXESLTRP-UHFFFAOYSA-N 302.468 4.686 30 20 DJED O=C(/C=C\c1cccc(F)c1F)c1cccc(Br)c1 209923140 HGCKUARRAITEAC-FPLPWBNLSA-N 323.136 4.623 30 20 DJED C[C@H]1C[C@@H](C)C[C@H](Nc2ccc(C#N)c(Br)c2)C1 300426373 CGDIXPZTJDOFPQ-YABSGUDNSA-N 307.235 4.557 30 20 DJED CC(C)[C@@H](Nc1ncccc1C#N)c1cccc(C(F)(F)F)c1 301199980 WAZMYWMYIUAUKL-OAHLLOKOSA-N 319.330 4.781 30 20 DJED C=CCOc1ccccc1CN[C@H](C)c1cc2ccccc2o1 319745957 INKMIWMPXUQVLS-OAHLLOKOSA-N 307.393 4.848 30 20 DJED N#Cc1ccc(CNc2ccc(-c3ccccc3)cc2)c(F)c1 390691156 PQWPOIQRABWGMQ-UHFFFAOYSA-N 302.352 4.976 30 20 DJED Cc1cc(C)cc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c1 430586938 UKYPQPFACFQBCL-CQSZACIVSA-N 312.438 4.548 30 20 DJED C=CCC[C@H](NC(=O)Nc1ccc(C)nc1C)c1ccccc1 435588992 NTXVKSLYFGSRED-SFHVURJKSA-N 309.413 4.527 30 20 DJED CC[C@H](Nc1cc(Cl)ccc1OC)c1ccc(C#N)cc1 447600136 ZNWJHKFPHVPVNW-HNNXBMFYSA-N 300.789 4.783 30 20 DJED Cc1ccc([C@H]2OCCC[C@H]2CNc2cccc(F)c2C#N)cc1 463063806 JASIJBSLLDJHDX-OXJNMPFZSA-N 324.399 4.586 30 20 DJED C[C@H](CCNc1ncccc1C#N)c1cccc(C(F)(F)F)c1 470871737 FPOWLEQXCMSLES-GFCCVEGCSA-N 319.330 4.578 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc2[nH]ccc12 471285067 BFCVZTLOUROSEC-UHFFFAOYSA-N 319.408 4.778 30 20 DJED CC(C)(CCC#N)CN1CC=C(c2ccccc2Cl)CC1 507735571 RKDSRUKMNHUWGB-UHFFFAOYSA-N 302.849 4.759 30 20 DJED Cc1ccc(C#N)cc1NCc1ccc(Sc2ccccn2)o1 512262064 RFZFDDBFILYCMS-UHFFFAOYSA-N 321.405 4.618 30 20 DJED C=CC1CCN(C(=O)Nc2ccccc2-c2ccccc2)CC1 523591026 QICONRXMRILGIE-UHFFFAOYSA-N 306.409 4.784 30 20 DJED C[C@@H](NCc1cccc2ccccc12)c1ccc(C#N)c(F)c1 537406621 GPPQXNCDGROTKE-CQSZACIVSA-N 304.368 4.701 30 20 DJED C=CC[C@@H](C)[C@H](C)NCC1(c2ccccc2Cl)CCOCC1 537975563 UJXPTZQTLIIFJR-CVEARBPZSA-N 321.892 4.579 30 20 DJED N#Cc1cccc(CSCc2coc(-c3ccccc3)n2)c1F 539248658 XAWUVWHIXXKVRB-UHFFFAOYSA-N 324.380 4.786 30 20 DJED C[C@@H](NCc1ccc(CC#N)cc1)c1cccc2ccccc12 544119094 QINPRAVQGRQDGG-MRXNPFEDSA-N 300.405 4.757 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@@](C)(c2ccccc2)CC1 561073413 AFRRSHDHLYUBKM-OAQYLSRUSA-N 311.469 4.725 30 20 DJED Cc1ccccc1[C@@H](c1noc(C2(C#N)CCCC2)n1)C(C)C 564289661 BKBPIVFOGHQWQN-INIZCTEOSA-N 309.413 4.501 30 20 DJED N#CCc1ccc(NC(=O)c2ccc(C3=CCCC3)cc2)cc1 570555643 UHHIKETZMDLETQ-UHFFFAOYSA-N 302.377 4.572 30 20 DJED C=CCCCCCN(C)C(=O)N[C@H](C)Cc1ccccc1Cl 740031953 OERFQBXXFABLAR-OAHLLOKOSA-N 322.880 4.659 30 20 DJED Cc1cc(C)c2c(c1)OC/C(=C\c1nccc3ccccc13)C2=O 740764959 LLIUIIFARBFVTG-LFIBNONCSA-N 315.372 4.510 30 20 DJED COCc1ccc(/C=C\C(=O)c2ccc3ccccc3c2)cc1 741840118 HCJSEVSVJDUZBT-RAXLEYEMSA-N 302.373 4.882 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2ccc3c4c(cccc24)CC3)s1 748998159 LGPLWOQNSZZQTN-PKNBQFBNSA-N 315.397 4.768 30 20 DJED Cc1c(C(=O)/C=C\c2cnc3cccc(C)n23)oc2ccccc12 748999108 OPYOMQHCWRXIPO-KHPPLWFESA-N 316.360 4.593 30 20 DJED Cc1ccc(NC(=S)N(c2cccc(C#N)c2)C(C)C)c(C)c1 749769582 YWYBYCCQBVSYOP-UHFFFAOYSA-N 323.465 4.787 30 20 DJED CCSc1ccc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)cc1 755603150 BWNTYWBMSXKVQG-FPYGCLRLSA-N 320.360 4.679 30 20 DJED CC(C)(C)c1ccc(C=NOCc2ccc(Cl)nc2)cc1 760422073 WBLVRBHPNKMRJD-UHFFFAOYSA-N 302.805 4.583 30 20 DJED N#C[C@@H]1CCC[C@@H](Nc2ccc(OC3CCCC3)c(F)c2)C1 765919357 BEMSSAGZWPZRRO-ZIAGYGMSSA-N 302.393 4.641 30 20 DJED O=C(/C=C/c1ccc(F)cc1)c1ccc(Br)cc1F 767738327 UCIKWTBZHWXDII-FPYGCLRLSA-N 323.136 4.623 30 20 DJED CCN(c1ccc(NCc2ccc(C#N)cc2F)cc1)C(C)C 772917350 BZMZTXGLXPIOBV-UHFFFAOYSA-N 311.404 4.544 30 20 DJED C#CCCCCCC(=O)N(Cc1ccsc1)c1ccccc1 779900388 VZYLPVPYPLNEJN-UHFFFAOYSA-N 311.450 4.865 30 20 DJED CC1(C)CC[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)C1 781770079 KCOFRBFXTBWXAS-CABCVRRESA-N 324.449 4.813 30 20 DJED Cc1cccnc1NN=Cc1cc(C(F)(F)F)ccc1Cl 790193506 GODRIZFKOMKQGN-UHFFFAOYSA-N 313.710 4.508 30 20 DJED C=CCC[C@H](CC)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 792176417 CQNRBZWNAPYXOK-DOMZBBRYSA-N 319.836 4.785 30 20 DJED O=C(/C=C/c1cscc1Br)c1cccc(F)c1 794692762 WGUBZNMCSHSHAH-SNAWJCMRSA-N 311.175 4.546 30 20 DJED C#Cc1cccc(NC(=S)Nc2c(CC)cc(C)cc2CC)c1 795047497 YPVOCVSSKUDIKJ-UHFFFAOYSA-N 322.477 4.910 30 20 DJED CC(CCc1ccc(C(F)(F)F)cc1)=NOCc1cccnc1 800814139 JFFQAJLCFCOYMM-UHFFFAOYSA-N 322.330 4.626 30 20 DJED C[C@H](C#N)OCCSCc1ccc(-c2cccs2)cc1 802753335 YRRWKSFNUFUONT-CYBMUJFWSA-N 303.452 4.577 30 20 DJED O=C(/C=C/c1cscc1C(F)(F)F)c1cccc(F)c1 811685346 PNDVMTMPONTXDV-SNAWJCMRSA-N 300.276 4.802 30 20 DJED CC(C)c1c(Cl)ncnc1NN=C1CCCC12CCCC2 814921983 OAQJAVXGBFOBAG-UHFFFAOYSA-N 306.841 4.766 30 20 DJED Cc1ccc(NN=Cc2cc(Cl)ccc2OC(F)F)cc1 915935472 FEYFRCUJWLHXHH-UHFFFAOYSA-N 310.731 4.696 30 20 DJED O=C(/C=C\c1c(Cl)nc2ccccn12)c1ccc(Cl)s1 916135627 ADIFKOJLJJQVEY-PLNGDYQASA-N 323.204 4.599 30 20 DJED CC(=NNc1nc2ccccc2s1)c1cccc(Cl)c1 916248424 FIWZVIZZFLQRJJ-UHFFFAOYSA-N 301.802 4.786 30 20 DJED CCCCCCCCCN(C)C(=O)c1cccc(CC#N)c1 918397681 KPTXQPSGCOCFTF-UHFFFAOYSA-N 300.446 4.575 30 20 DJED C=C(C)[C@@H](NCc1cccn1C1CC1)c1ccc(F)c(F)c1 1119339477 DGXNPEFQTJOISN-GOSISDBHSA-N 302.368 4.508 30 20 DJED CCCCN(Cc1cccc(F)c1C#N)[C@@H](C)c1ccc(C)o1 1180239309 IBXBMJAWMWSEEL-HNNXBMFYSA-N 314.404 4.962 30 20 DJED C[C@H](CC(C)(C)C#N)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 1181267262 PPKSFJOBXFTLNK-XNRPHZJLSA-N 324.390 4.869 30 20 DJED C=C(Cl)CN1CCC(c2c[nH]c3c(CC)cccc23)CC1 1190464269 FTFYVKNESRALCL-UHFFFAOYSA-N 302.849 4.662 30 20 DJED N#Cc1ncccc1SCCc1cccc(Cl)c1Cl 1307342723 MFOYRIZLHDUVQD-UHFFFAOYSA-N 309.221 4.595 30 20 DJED N#Cc1ccc(F)c(CN[C@@H]2CCCC[C@H]2c2ccccc2)c1 1308941445 WBWHGYIVUOHBLD-AZUAARDMSA-N 308.400 4.513 30 20 DJED CCC(CC)(CNc1c(C#N)cccc1C#N)c1ccc(F)cc1 1458499266 LTEKXFAAJYRGFU-UHFFFAOYSA-N 321.399 4.739 30 20 DJED C[C@@H]1C[C@H](CC(=O)N2CCCc3cc(C#N)ccc32)CC(C)(C)C1 1460301675 HQHVSFGKXLKYNP-NVXWUHKLSA-N 324.468 4.690 30 20 DJED C=C(Cl)CNCc1cc(Cl)ccc1OC1CCCC1 1461233326 UECITMIMHQOTQH-UHFFFAOYSA-N 300.229 4.504 30 20 DJED CCCC[C@@H](C)N(C)C(=O)Nc1scc(C(C)(C)C)c1C#N 1466647894 AVFIPJSMYIDTHK-GFCCVEGCSA-N 321.490 4.960 30 20 DJED C[C@@H](c1ccccc1)N(Cc1cc(C#N)ccn1)c1ccccc1 1473363764 LWLYBHPJBIXHFK-KRWDZBQOSA-N 313.404 4.721 30 20 DJED N#CC1(CC(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)CCCCC1 1539325353 MATJCUJMTXRIKO-RTBURBONSA-N 324.468 4.693 30 20 DJED CCCc1ccc(C(=O)N(c2ccccc2C#N)C2CCC2)cc1 1587311062 TXVZCKGZIVRQEH-UHFFFAOYSA-N 318.420 4.710 30 20 DJED CSc1ccc(CCCC(=O)Nc2cc(C)cc(C#N)c2)cc1 1597281185 OSIKKHXFMNWTIP-UHFFFAOYSA-N 324.449 4.550 30 20 DJED Cc1cc(N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)ncc1C#N 1612487231 BEMHTZHQXZTMBP-PBHICJAKSA-N 311.816 4.663 30 20 DJED Cc1cc(F)cc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c1 1631244910 WUBBSAOJKVILKV-UHFFFAOYSA-N 323.154 4.565 30 20 DJED CCC(CC)(CC)SCCC(=O)Nc1cccc(C#N)c1 1641058063 UQIXERKLEGBRPM-UHFFFAOYSA-N 304.459 4.589 30 20 DJED CC(C)c1cccc2c1N(CCOc1ccccc1C#N)CCC2 1646215351 KSGVVDLEVMJJHO-UHFFFAOYSA-N 320.436 4.513 30 20 DJED CN(CCc1ccc(C#N)cc1)c1ccccc1-c1ccccc1 1653605886 SQAPCBDRSXMRFZ-UHFFFAOYSA-N 312.416 4.904 30 20 DJED Cc1nc(N[C@@H](c2ccc(Cl)cc2F)C(C)C)ccc1C#N 1655362752 VYVNGAOLINKEJZ-QGZVFWFLSA-N 317.795 4.863 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N1CCC(C)(C)CC(C)(C)C1 1669060801 KCIPKQLEIFCJEK-UHFFFAOYSA-N 313.445 4.547 30 20 DJED CCCC(=NNc1ccc(C(=O)O)cc1)c1ccc(Cl)cc1 1776011968 ICOGNLNMBNKCOC-UHFFFAOYSA-N 316.788 4.655 30 20 DJED O=C(/C=C/c1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 5128213 ZNMGBDWUZYEUIM-WUXMJOGZSA-N 303.317 4.644 30 20 DJED N#Cc1c(NC(=O)c2ccccc2)sc2c1CCCCCC2 6337905 KVVLPKUCSVWDKO-UHFFFAOYSA-N 310.422 4.531 30 20 DJED O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 33968325 LPXVNPLYWZZNFS-RUDMXATFSA-N 321.254 4.510 30 20 DJED C=CCN(CCc1ccccc1)C(=O)Nc1cc(C)cc(C)c1 62373177 BZVRTJWJCGVXKW-UHFFFAOYSA-N 308.425 4.566 30 20 DJED O=C1/C(=C/c2cncs2)CCc2cc(SC(F)F)ccc21 130054770 BSVLEDKDLRFXMM-UXBLZVDNSA-N 323.389 4.670 30 20 DJED C=CCC[C@H](NC(=O)N1CCC[C@H]1c1ccc[nH]1)c1ccccc1 131012508 CSKSJUCXIVEXMJ-HKUYNNGSSA-N 323.440 4.569 30 20 DJED C[C@H](SCCCC(C)(C)C#N)c1nc(-c2ccccc2)no1 161957853 URUGNGZWPGUYBR-ZDUSSCGKSA-N 315.442 4.861 30 20 DJED CC(C)(CCC#N)CNc1cccc(COCc2ccco2)c1 174292653 SMLDANFCHYEULG-UHFFFAOYSA-N 312.413 4.738 30 20 DJED C=CCCCC(=O)Nc1c(C)cc(Br)cc1Cl 175651837 BYKCOESORJKSDY-UHFFFAOYSA-N 316.626 4.706 30 20 DJED Cc1ccc(C2CC(Nc3ccccc3O[C@H](C)C#N)C2)cc1 180754765 VPRIRJZDWFVMBG-FAEJEUNOSA-N 306.409 4.644 30 20 DJED CC(C)(CCC#N)CNCC1(c2ccc(F)cc2)CCCC1 236817365 FEQXVUICSOQJGL-UHFFFAOYSA-N 302.437 4.557 30 20 DJED Cc1cc(N[C@@H](C)c2cc(Cl)ccc2Cl)nn1CCC#N 270980764 BKCBYHCQNBVLPD-NSHDSACASA-N 323.227 4.585 30 20 DJED Cc1cc(Cl)ccc1CNc1cccc(OCCCC#N)c1 318481802 KVVMGSZTBZLCIK-UHFFFAOYSA-N 314.816 4.943 30 20 DJED O/C(CC1CCCC1)=N/C/C(O)=N\[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 328736197 LAAUJRKZJQXVIA-GVDBMIGSSA-N 320.477 4.839 30 20 DJED Cc1cncc(/C(O)=N/[C@@H]2CC3(CCCC3)Oc3ccccc32)c1 330166424 XZYBHFLPHLDFIH-QGZVFWFLSA-N 322.408 4.531 30 20 DJED Cc1ccc(/C(O)=N/[C@@H](C#N)C2CCCCC2)c(F)c1Cl 331321931 CMDYTGBCWFCAQG-ZDUSSCGKSA-N 308.784 4.565 30 20 DJED N#C[C@H]1CC[C@@H](N[C@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 424324962 KMJXJAZUQRHSOT-WNMQOVRZSA-N 309.240 4.726 30 20 DJED C=CCC[C@@H](Nc1cccc(NC(=O)C(C)C)c1)c1ccco1 428434620 AHPXZEISQDSLBY-QGZVFWFLSA-N 312.413 4.994 30 20 DJED COc1ccc(C#N)cc1CNc1cc(Cl)ccc1SC 434881323 UIYWSPZCMDDRJL-UHFFFAOYSA-N 318.829 4.554 30 20 DJED C=CCC[C@H](NC(=O)N1CCC[C@H]1C(C)C)c1ccccc1 435093773 GPMUNXFMSVXCMW-ROUUACIJSA-N 300.446 4.524 30 20 DJED CC(C)(C#N)CC(=O)Nc1ccccc1Sc1ccccc1 447195466 WETZBOUHXNEXAX-UHFFFAOYSA-N 310.422 4.716 30 20 DJED C=C[C@@](C)(CC)C(=O)N1CCC(F)(c2cccc(Cl)c2)CC1 466890305 JDWTXNRKMDZCCQ-KRWDZBQOSA-N 323.839 4.730 30 20 DJED CC(C)(C#N)CCCN1CCC(=Cc2ccc(F)c(F)c2)CC1 469440096 FDZABLROVZTYQZ-UHFFFAOYSA-N 318.411 4.774 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(F)cc1F 471129786 QLQNDPCGYIFWOF-UHFFFAOYSA-N 316.351 4.575 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)C[C@H](c1ccccc1)C(C)C 471170115 RYNIKZXVEXTPJH-SFHVURJKSA-N 314.473 4.747 30 20 DJED CCC1(Cc2ccccc2)CCN([C@@H]2CCC[C@@H](C#N)C2)CC1 479555162 SGZVSFFUJDBMBJ-WOJBJXKFSA-N 310.485 4.804 30 20 DJED CC(C)c1ccccc1NC(=O)[C@H](C)Sc1ccc(C#N)cc1 509654696 QOUZCFWKYHOTTQ-AWEZNQCLSA-N 324.449 4.801 30 20 DJED C=CCCC(=O)N1c2ccc(OCC)cc2[C@@H](C)CC1(C)C 523228515 INGZBJASUSUDRD-AWEZNQCLSA-N 301.430 4.670 30 20 DJED C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(Cl)c1 525632350 YDPYZITVSSVJKD-SNVBAGLBSA-N 319.191 4.607 30 20 DJED C=C[C@H](CC(=O)NC(C)(C)c1cccc(F)c1)c1ccccc1 534695502 HSONGVUSGMYFSC-OAHLLOKOSA-N 311.400 4.537 30 20 DJED CCc1cccc(CC)c1NC(=O)c1ccc(Cl)c(C#N)c1 540469059 DETMTUPBZVMYHH-UHFFFAOYSA-N 312.800 4.589 30 20 DJED N#Cc1ccc(Oc2ncnc3cccc(F)c23)c2ccccc12 549300028 VWLLXNVLJLCMQA-UHFFFAOYSA-N 315.307 4.586 30 20 DJED C=CCCc1ccccc1NC(=O)COc1ccsc1Cl 556486985 FJVXMDUMRVWBBR-UHFFFAOYSA-N 321.829 4.538 30 20 DJED N#Cc1ccnc(Oc2cccc(Oc3ccccn3)c2)c1Cl 557476138 WGXMVOVXDJOIAM-UHFFFAOYSA-N 323.739 4.586 30 20 DJED C[C@@H]1CC[C@@H](c2ccccc2)N(c2nccc(C#N)c2Cl)C1 557737017 NIASXLFSJGPEMB-CJNGLKHVSA-N 311.816 4.584 30 20 DJED C[C@@H](Sc1cccc(F)c1C#N)C(=O)c1cccc(Cl)c1 569065489 JELCGINKQAMJIV-SNVBAGLBSA-N 319.788 4.714 30 20 DJED N#CCCCCCC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 588642573 NEGCBANTWVKWOJ-HXUWFJFHSA-N 324.399 4.505 30 20 DJED C=C(C)COc1cccc(NC(=O)c2cc(C)sc2C)c1 589382273 NYSFTSZSVAFGGL-UHFFFAOYSA-N 301.411 4.572 30 20 DJED CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1ccccc1SCCC#N 592591264 LAXCRQZQHGWIMD-UONOGXRCSA-N 316.470 4.703 30 20 DJED C=C(C)COc1cccc(NC(=O)[C@H](C)c2ccccc2F)c1 595953934 PECVJMPFEDLLJM-CQSZACIVSA-N 313.372 4.523 30 20 DJED CC(C)(C#N)c1ccc(C(=O)N2CC[C@@H](C3CCCCC3)C2)cc1 598152082 DBHGBOYGGCNIBB-GOSISDBHSA-N 324.468 4.530 30 20 DJED CC(C)Oc1ccccc1COc1ccc(C#N)cc1Cl 603948052 UBBYYAZFJOKHRE-UHFFFAOYSA-N 301.773 4.578 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2CCC[C@H]2c2ccsc2)n1 613412090 HLUJYSOPTLZETH-HNNXBMFYSA-N 311.454 4.654 30 20 DJED C=C(CNC(=O)c1cc(Cl)c(F)cc1Cl)c1ccccc1 646293644 AMARUBMAGWCTLD-UHFFFAOYSA-N 324.182 4.576 30 20 DJED C=C(CN[C@@H](c1ccccc1)c1ccc(F)cn1)c1ccccc1 680338636 FGCPRAUJZPAODF-NRFANRHFSA-N 318.395 4.613 30 20 DJED O=C1/C(=C/c2ccc(OC(F)F)cc2)CCc2sccc21 726892626 NTBKMOVRGRMZEX-PKNBQFBNSA-N 306.333 4.562 30 20 DJED CCCCCCCC(=O)N1C[C@H](c2ccccc2C)OC[C@H]1C 741990574 PKOOACQPAJJIHU-IEBWSBKVSA-N 317.473 4.644 30 20 DJED CCCCCC[C@](C)(CC)C(=O)N(C)Cc1cccc(C#N)c1 742528832 PRSAQEKQZUWFHX-FQEVSTJZSA-N 314.473 4.903 30 20 DJED C[C@H](OC(=O)CCc1ccc(Cl)s1)c1ccc(C#N)cc1 748685851 UPHQUJFURPIXGD-NSHDSACASA-N 319.813 4.510 30 20 DJED C#CC[C@H](NCc1cccc(C(F)(F)F)c1)c1ccccc1 756998445 VRUODYMKAKJURX-KRWDZBQOSA-N 303.327 4.560 30 20 DJED Cc1ccc(C(Cc2ccccc2)=NOCC(F)(F)F)cc1C 764844238 IZRDHTRITCSFSL-UHFFFAOYSA-N 321.342 4.829 30 20 DJED Cc1cc(NN=C[C@@H](C)CCC#N)nc2ccc(Cl)cc12 766003268 VTCLYIBVBMGHSJ-NSHDSACASA-N 300.793 4.534 30 20 DJED O=C(/C=C/c1c(OC(F)F)ccc2ccccc12)c1ccco1 769770936 KLOOJRLEFYDTTH-CMDGGOBGSA-N 314.287 4.930 30 20 DJED C=C[C@H](CC(=O)N(CC)c1ccc2[nH]ccc2c1)c1ccccc1 788261976 NEVSKLAQTUTKNS-MRXNPFEDSA-N 318.420 4.881 30 20 DJED CCCCn1ncc(Nc2nc(Cl)c(C#N)s2)c1C(C)C 804649135 SLVNZBIWOQKYES-UHFFFAOYSA-N 323.853 4.532 30 20 DJED CCCCCCCC(=O)N(CC)[C@H](C)c1cccc(OC)c1 914510072 PLYIYVDDRCQUEV-MRXNPFEDSA-N 305.462 4.965 30 20 DJED CC(=NNc1ncccc1C(F)(F)F)c1cccc(Cl)c1 915050987 IRTSRADISSSJTC-UHFFFAOYSA-N 313.710 4.590 30 20 DJED CC(=NNc1cc(F)cc(F)c1)c1ccc2ccccc2c1O 920376613 LYOIVMRVZWBNNR-UHFFFAOYSA-N 312.319 4.660 30 20 DJED C[C@@H](NN=Cc1ccc(-c2ccccc2F)o1)c1ccccc1 920382343 GDDZVXJOXHMMAG-CQSZACIVSA-N 308.356 4.770 30 20 DJED CCc1nc(C(C)C)ccc1C(=O)O[C@H](C)c1cccc(C#N)c1 1127096952 XUTHLGLHOYHIFJ-CQSZACIVSA-N 322.408 4.557 30 20 DJED Cc1ccc(N(CC(C)C)C(=O)c2ccc(C#N)cc2F)c(C)c1 1130779030 QQWRHCKOMGJBEL-UHFFFAOYSA-N 324.399 4.617 30 20 DJED CC[C@H](C#N)C(=O)N[C@@H](c1ccccc1C)C1CCC(C)CC1 1144715316 FHSUJSIRTXUOQD-JWBIFMHMSA-N 312.457 4.528 30 20 DJED CO[C@H](c1ccccc1Cl)[C@H](C)Nc1cccc(F)c1C#N 1162944108 ZNNVTHOBSVSXOR-GTNSWQLSSA-N 318.779 4.539 30 20 DJED N#C[C@H]1CC[C@@H](N[C@@H]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 1206376623 KPDQDQALCUNEFE-ZCTGUTNYSA-N 323.267 4.911 30 20 DJED Cc1ccc(C)c([C@@H]2CCCN2C(=O)CC2(C#N)CCCCC2)c1 1294944519 GATDJYPKYRJUCO-IBGZPJMESA-N 324.468 4.831 30 20 DJED Cc1cccc([C@H]2CCCN2c2nc(C#N)c(Cl)s2)c1C 1306976534 YPDCCKUVCTUNCD-CQSZACIVSA-N 317.845 4.627 30 20 DJED CC[C@H]1CCC[C@H]1CNc1ccc(C#N)c(Br)c1 1307123866 VVAXVESQVNTPDT-AAEUAGOBSA-N 307.235 4.559 30 20 DJED CCCCN(Cc1ccc(-c2ccccc2C#N)cc1)C1CC1 1307414572 NOMSZOCFWPLPBH-UHFFFAOYSA-N 304.437 4.990 30 20 DJED N#CCc1ccc(CN(C2CC2)[C@H]2CCCc3ccccc32)cc1 1307535617 PEFLOCFFGWNCRQ-QFIPXVFZSA-N 316.448 4.795 30 20 DJED CC[C@H]1CC[C@H](C(=O)N(CC(C)C)c2ccc(C#N)cc2)CC1 1355419622 GIATWFVTELWAFP-SAABIXHNSA-N 312.457 4.764 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1cc2ccc(C(C)C)cc2[nH]1 1457692441 MNKBTODMPMSMDZ-UHFFFAOYSA-N 317.392 4.724 30 20 DJED CC(C)(C)C1CCC(CC(=O)N2CCCC(C)(C)[C@@H]2C#N)CC1 1459840351 JWAITWYWQUFGQU-JCYILVPMSA-N 318.505 4.770 30 20 DJED N#Cc1cc(CN2CCCC3(CCCCC3)CC2)ccc1F 1459956079 VJESTUORSZQRAG-UHFFFAOYSA-N 300.421 4.634 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc(C2CC2)c1 1474185651 VYWYIXRFRHQYKI-NRFANRHFSA-N 302.421 4.603 30 20 DJED CC[C@H](OC(=O)CC1(C#N)CCCCC1)c1ccc(OC)cc1 1520592351 RMGOJLKHRCEVAO-KRWDZBQOSA-N 315.413 4.554 30 20 DJED C[C@H](Nc1nc(C(C)(C)C)ccc1C#N)[C@@H](C)c1ccccc1 1559123818 PKBZOMFPFOIIKJ-CABCVRRESA-N 307.441 4.855 30 20 DJED CC[C@@H](CC1CCCC1)C(=O)N(C)c1ccc(C#N)c(Cl)c1 1596377253 YWOUBBXBGPXOHU-AWEZNQCLSA-N 318.848 4.781 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1coc2ccccc12 1621124280 MXIRJLNGGQITJS-UHFFFAOYSA-N 304.393 4.715 30 20 DJED CC[C@@H](Nc1ncc(Cl)c(C)c1C#N)c1ccc(F)cc1F 1642292484 PMSRNSVXAKTNAL-OAHLLOKOSA-N 321.758 4.757 30 20 DJED CC[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(F)c(C#N)c1 1644702066 UCUMBMFISACYPT-FPOVZHCZSA-N 322.427 4.856 30 20 DJED Cc1c(Cl)cnc(N[C@@H]2CCCc3c(F)cccc32)c1C#N 1651108700 IMOUVVPYBMTZCW-MRXNPFEDSA-N 315.779 4.544 30 20 DJED CCN(Cc1cccc(Cl)c1)Cc1ccc(Cl)cc1C#N 1652293728 LYQIAAXLJSOOMB-UHFFFAOYSA-N 319.235 4.887 30 20 DJED CC[C@@H](CN1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 1657393031 ZMFZQMNYYBMUNI-IBGZPJMESA-N 316.448 4.841 30 20 DJED COc1ccc(C#N)cc1NC1CCC(C)(c2ccccc2)CC1 1657713121 LWZOQWWPTQKYLB-UHFFFAOYSA-N 320.436 4.879 30 20 DJED CC(C)(C)[C@@H]1CN(Cc2ccc(C#N)cc2F)c2ccccc21 1659032461 KXPZUYQQCJAMGY-QGZVFWFLSA-N 308.400 4.847 30 20 DJED CC(C)CC[C@H](NC(=O)Nc1cccc(C#N)c1)C(C)(C)C 1673021949 INFVUWIDEWNZQO-INIZCTEOSA-N 301.434 4.531 30 20 DJED Cc1cc(/C=C/C(=O)c2ccc(C(=O)O)s2)ccc1C1CC1 1777420843 CGSDTFNUWVQCEE-XVNBXDOJSA-N 312.390 4.528 30 20 DJED CCc1cc(C#N)c(NC(=O)c2ccc3ccccc3c2)s1 59829159 VPWVDODNTCKHJH-UHFFFAOYSA-N 306.390 4.588 30 20 DJED Cc1c(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)oc2ccccc12 80459024 MQIVHJAJGKJUPY-CYBMUJFWSA-N 324.405 4.811 30 20 DJED CCc1ccccc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 124764177 BXQSUTIGUYOJDS-AWEZNQCLSA-N 324.449 4.753 30 20 DJED Cc1ccccc1-c1noc([C@H](C)SCCCCC#N)n1 161958821 QXQBJKLDXCMWKT-ZDUSSCGKSA-N 301.415 4.533 30 20 DJED Cc1oc(-c2cccs2)nc1CNc1cccc(C#N)c1C 179053391 UXIBZPNOLRQNHS-UHFFFAOYSA-N 309.394 4.504 30 20 DJED C=C[C@H](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ccccc1 179384192 UJNAAYVLWRXIME-JKSUJKDBSA-N 311.400 4.705 30 20 DJED C[C@@H](NC[C@@H](c1ccccc1)C(F)(F)F)c1ccc(C#N)cc1 186840938 PFMQBRMKAIVCEN-DYVFJYSZSA-N 318.342 4.555 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N(C)CC1CCC1 191427840 RNLCOZVBHDAKEX-UHFFFAOYSA-N 300.446 4.802 30 20 DJED Cc1cc(Br)cc(N[C@H](C)c2ccc(C#N)cc2)c1 230225333 GQRZSQMBNYMODT-GFCCVEGCSA-N 315.214 4.802 30 20 DJED C[C@H](N[C@H]1CC2(CCC2)Oc2ccccc21)c1ccc(C#N)cc1 268815236 PRPFEPCPOZHKPB-KXBFYZLASA-N 318.420 4.655 30 20 DJED Cc1ccc(C)c(CSCCCC2(C#N)CCOCC2)c1 280928487 HBSBFVQCIBXAMN-UHFFFAOYSA-N 303.471 4.637 30 20 DJED CC[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(F)cc1O 286026555 JADBWNNUJISOLC-MSOLQXFVSA-N 312.388 4.617 30 20 DJED C=C(C)[C@@H](Nc1ncnc2sccc12)c1ccc(F)c(F)c1 302342111 BZOKLDKMWNSRJI-CQSZACIVSA-N 317.364 4.699 30 20 DJED Cc1cccc(C)c1COc1cc(Br)ccc1C#N 308072097 BEVDFXHAYHROAQ-UHFFFAOYSA-N 316.198 4.517 30 20 DJED C[C@H](CNc1cc(Br)c(C#N)cc1F)C(C)(C)C 310630812 NFTLSEDVJGCXSD-SECBINFHSA-N 313.214 4.554 30 20 DJED C[C@@H](CNc1cc(Br)c(C#N)cc1F)C(C)(C)C 310630813 NFTLSEDVJGCXSD-VIFPVBQESA-N 313.214 4.554 30 20 DJED N#Cc1ccc(N[C@H]2CSc3ccccc32)cc1C(F)(F)F 317195872 KUNKTLWBPLBQLB-AWEZNQCLSA-N 320.339 4.836 30 20 DJED O/C(=N/[C@H]1CCCCC12CCCC2)c1cc2ccccc2c(O)n1 329609445 IXLZUUNGIKGFBF-KRWDZBQOSA-N 324.424 4.748 30 20 DJED CC1(C)CCC[C@@H](C(=O)Nc2ccc(Cl)cc2CC#N)C1 410968787 OJGYIEXSBBHXMX-CYBMUJFWSA-N 304.821 4.561 30 20 DJED N#Cc1c(F)cccc1CSCc1coc(-c2ccccc2)n1 427830844 IAGFJZYZRACBRF-UHFFFAOYSA-N 324.380 4.786 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1c(Cl)cc(F)cc1Cl 432994837 VWCUJEROXSYXRN-UHFFFAOYSA-N 323.154 4.565 30 20 DJED CC(C)(C)[C@H](NC(=O)Nc1cccc(CC#N)c1)c1ccccc1 455921550 PNJHEVNRFJIRPP-GOSISDBHSA-N 321.424 4.662 30 20 DJED COc1cc(C#N)cc(Cl)c1OCc1ccc(C(F)F)cc1 460803341 FSEYFNSSRYKLDB-UHFFFAOYSA-N 323.726 4.737 30 20 DJED CCc1ccc(CCNc2ccccc2SCCC#N)cc1 462229740 ZSZWTWWVBFFNED-UHFFFAOYSA-N 310.466 4.909 30 20 DJED COc1ccc(-c2ccc(CN[C@H]3CCC[C@H](C#N)C3)cc2)cc1 463298599 DOMKWULITBTEHZ-PXNSSMCTSA-N 320.436 4.534 30 20 DJED C=CCCC1(C(=O)N2CC[C@H](c3ccccc3)[C@H](CC)C2)CC1 476221012 RMMSKIDJZIWAGP-MJGOQNOKSA-N 311.469 4.775 30 20 DJED COCCCC[C@@H](Nc1ccc(F)cc1C#N)c1ccccc1 480575321 FIRPPNJEZYUDTO-GOSISDBHSA-N 312.388 4.667 30 20 DJED C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)c1cc(C)oc1C 483917677 RLXIGHZAHMVHAT-HNNXBMFYSA-N 318.461 4.735 30 20 DJED C=C[C@H]1CCCCN1C(=O)CCCc1csc2ccccc12 488875364 DLBUIPBIRSVNRE-INIZCTEOSA-N 313.466 4.791 30 20 DJED C=CCN(C)C(=O)c1cc(Cl)ccc1Oc1ccc(F)cc1 490928007 QJGFMOPYMSJPEF-UHFFFAOYSA-N 319.763 4.529 30 20 DJED N#CCCCCN[C@@H](Cc1ccccc1Cl)c1cccs1 495041554 FMAKDMNNOZBLNU-INIZCTEOSA-N 318.873 4.969 30 20 DJED CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCC2CCCC2)cc1 521293381 OKUYUANHHZKBPV-SFHVURJKSA-N 312.457 4.635 30 20 DJED C[C@@H](C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(C)(C)C 522334594 ICYUJYKXDHJUMP-AWEZNQCLSA-N 322.408 4.971 30 20 DJED C=CCC[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C2)C1)c1ccccc1 557941180 QBTUPRRAPZNWOC-JENIJYKNSA-N 312.457 4.526 30 20 DJED Cc1cc(Nc2snc(C)c2C#N)ccc1Oc1cccnc1 568552940 HBRGOLIYFDZPAY-UHFFFAOYSA-N 322.393 4.563 30 20 DJED C=C[C@](C)(CC)c1nc(Cc2c[nH]c3cc(Cl)ccc23)no1 575904638 IITVENVSCOFVPE-QGZVFWFLSA-N 315.804 4.649 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccc(-c2ccccc2)cc1F 591489863 PDGXDNPAFJGEOE-UHFFFAOYSA-N 312.388 4.923 30 20 DJED CCc1ccc([C@H](C)C(=O)Nc2sc(C)c(C)c2C#N)cc1 609019095 ZBBVGDMHDUBODB-LBPRGKRZSA-N 312.438 4.541 30 20 DJED C[C@@H](c1ccccc1)n1ccc(N[C@H](C)c2ccc(C#N)cc2)n1 610733516 CKBHERIVZDDRBO-CVEARBPZSA-N 316.408 4.537 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2NCc1cc(Cl)cc(Cl)c1 618742331 MLXQBRFJMZPLSN-KRWDZBQOSA-N 317.219 4.642 30 20 DJED N#Cc1ccc(CN[C@H]2CCc3cc(Cl)ccc32)cc1Cl 619755480 YRLDXFIMGIXANO-KRWDZBQOSA-N 317.219 4.642 30 20 DJED C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)c1ccsc1 670175221 ITOVVJBMBDCOEH-AWEZNQCLSA-N 306.475 4.587 30 20 DJED C=CCN(C(=O)c1ccc(C(F)(F)F)s1)c1ccccc1 673464739 BHQXNZRZIZQGEI-UHFFFAOYSA-N 311.328 4.600 30 20 DJED N#C[C@@H](Cc1ccccc1)SC1=Nc2ccccc2CS1 729930449 MIGAFWFWNPTNRY-OAHLLOKOSA-N 310.447 4.789 30 20 DJED CC(C)COc1ccc(/C=C\C(=O)c2ccc(F)cc2F)cc1 730151981 WKGXHNIRXYMBHW-YHYXMXQVSA-N 316.347 4.896 30 20 DJED COc1ccccc1/C=C/C(=O)c1ccc(SC(F)F)cc1 734980209 IPYZVSUQIUWCRX-DHZHZOJOSA-N 320.360 4.906 30 20 DJED CS[C@@H]1CCC[C@@H](/N=C/c2cc(Cl)cc(Cl)c2O)C1 735229074 QLNWWRLUMIDELX-HVWABSDWSA-N 318.269 4.792 30 20 DJED COCc1ccc(C=NNc2ccc(Cl)c(Cl)c2)cc1 741762679 MMRVPNKYMIZTAU-UHFFFAOYSA-N 309.196 4.586 30 20 DJED Clc1ccc(NN=Cc2ccccc2-c2ccccc2)cn1 743449971 DITSSJABDSYZCT-UHFFFAOYSA-N 307.784 4.848 30 20 DJED C=CCOCCCC(=O)Oc1cc(C)c(Cl)cc1C(C)C 744023299 QWIVVTDRHTZOLN-UHFFFAOYSA-N 310.821 4.660 30 20 DJED N#Cc1csc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 748439408 QBZMWJUHJQJWIO-DUXPYHPUSA-N 308.189 4.823 30 20 DJED CC(C)=CCCC(C)=Nn1c(S)nnc1-c1ccccc1C 749158194 JPKYDHYSPXXUPK-UHFFFAOYSA-N 314.458 4.513 30 20 DJED Cc1ccc2cc(C(=O)/C=C\c3c[nH]nc3C(C)(C)C)oc2c1 754823939 GSTRGVVLUMVTLJ-FPLPWBNLSA-N 308.381 4.658 30 20 DJED Cc1ccoc1C(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 769783962 KFIUDGSYEJJNHX-SOFGYWHQSA-N 323.304 4.652 30 20 DJED O=C(/C=C/c1cccc(C(F)(F)F)c1)c1cccc(F)c1F 776267459 AZFLESDVBHFVPI-BQYQJAHWSA-N 312.237 4.880 30 20 DJED C=CC[C@@H](C(=O)Oc1ccc(C(=O)CC)cc1)c1ccccc1 777409319 XOQARWLEIIIEQH-GOSISDBHSA-N 308.377 4.545 30 20 DJED Cc1cccc(/C=C/C(=O)c2cc(F)ccc2F)c1OC(F)F 777914809 LTUJBDMJTIAURS-VMPITWQZSA-N 324.273 4.771 30 20 DJED CC(C)=CCC[C@@H](C)CC=NNc1ccc2c(=O)[nH]ccc2c1 789073273 IMSJINOWXARROB-OAHLLOKOSA-N 311.429 4.698 30 20 DJED C=CCC[C@@H](NCc1cc(C)nc(Cl)c1)c1ccccc1 797600865 GOHRLIQPKRKEKO-QGZVFWFLSA-N 300.833 4.841 30 20 DJED C/C(C=NO[C@@H]1CCCCO1)=C/c1ccccc1C(F)(F)F 799885605 ZVSLGSXFNTVACY-ZCVQNONHSA-N 313.319 4.638 30 20 DJED CCC(=NNc1cncc(Cl)n1)C12CC3CC(CC(C3)C1)C2 811638617 STCAVHRBGYQOKY-UHFFFAOYSA-N 318.852 4.524 30 20 DJED Clc1cccc(CON=Cc2ccc(Br)cc2)c1 823366695 NGNTXVYKMWIRFS-UHFFFAOYSA-N 324.605 4.653 30 20 DJED Cc1nsc(NCc2ccccc2Oc2ccccc2)c1C#N 1162313073 GYMGWRMCQGYFCG-UHFFFAOYSA-N 321.405 4.728 30 20 DJED COc1cc(OCc2ccc(-c3cccs3)cc2)ccc1C#N 1166084857 FUBJKCQACPYVKO-UHFFFAOYSA-N 321.401 4.874 30 20 DJED CC(C)(CNc1ccc(C#N)c(Br)c1)C1CCCC1 1185827843 PSWGBUYKOFJEMT-UHFFFAOYSA-N 321.262 4.949 30 20 DJED C[C@H]1CC(C)(C)c2cccc(NC(=O)c3cccc(CC#N)c3)c21 1188676489 CPIULKHUUPHYPG-AWEZNQCLSA-N 318.420 4.790 30 20 DJED CC(C)(C)[C@H]1CN(CCc2ccc(C#N)cc2)c2ccccc21 1307728939 HWIKEWRYKGPFJJ-IBGZPJMESA-N 304.437 4.751 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N(C)C[C@@H](C)C1CCCCC1 1310382132 JAMNBQGFHLUNLJ-OAHLLOKOSA-N 313.445 4.547 30 20 DJED Cc1ccc(C(=O)/C=C\c2ncc(-c3ccccc3)[nH]2)cc1C 1327444240 WRIJVPILYZAUBC-KHPPLWFESA-N 302.377 4.590 30 20 DJED CCC[C@H]1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1OC(C)C 1351539711 DYHBFDNWZCIAQA-HOTGVXAUSA-N 314.429 4.500 30 20 DJED Cc1cc(N[C@H](c2ccc(Cl)cc2F)C(C)C)ncc1C#N 1472753809 NBTUHAGIXWTWGP-KRWDZBQOSA-N 317.795 4.863 30 20 DJED CC[C@]1(C)CCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1476646756 UCDIMRVUPZHZFU-QGZVFWFLSA-N 319.474 4.571 30 20 DJED CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1539250359 RPXPPCGEACWCMI-BXUZGUMPSA-N 324.346 4.732 30 20 DJED N#Cc1cnc(NCc2ccc(C3CCCCC3)cc2)c(F)c1 1559196717 CAKNXMDQHWGKDF-UHFFFAOYSA-N 309.388 4.752 30 20 DJED CCc1ccc(CC)c(NC(=O)[C@H](C#N)CCc2ccccc2)c1 1586997287 IKHHKANHVGPMJM-IBGZPJMESA-N 320.436 4.522 30 20 DJED CC(C)CCN(CCC#N)CCc1cc(Cl)cc(Cl)c1 1641935367 WHKDCNCWSRVAGD-UHFFFAOYSA-N 313.272 4.798 30 20 DJED N#Cc1cnc(N[C@H]2C[C@H](c3ccccc3Cl)C2)c(Cl)c1 1651108659 GSEZMXJTBFQCFM-HAQNSBGRSA-N 318.207 4.618 30 20 DJED Cc1cc(N[C@@H](C)c2ccc(SC(C)C)cc2)ncc1C#N 1655117823 ZWEYZMSHCVPGEK-AWEZNQCLSA-N 311.454 4.935 30 20 DJED C=C(C)CNC(=S)Nc1ccc(Oc2cccc(C)c2)cc1 7561477 JWYDCIIJOBHLKM-UHFFFAOYSA-N 312.438 4.650 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(F)c(C)c1 63060358 CPOLHLPJBRSFRC-UHFFFAOYSA-N 323.820 4.677 30 20 DJED Cc1cc(C)cc([C@H](C)NCc2ccc(N(C)CCC#N)cc2)c1 107319985 MVKSNFSAHIMXNE-SFHVURJKSA-N 321.468 4.504 30 20 DJED CCCOc1ccccc1NCc1cccc(OCCCC#N)c1 114766824 WZMYBNSMFCTIPQ-UHFFFAOYSA-N 324.424 4.770 30 20 DJED C[C@H](NCc1ccc(C#N)cc1)c1cc2cc(Cl)ccc2o1 130264632 XGLJWYJQBYJRHW-LBPRGKRZSA-N 310.784 4.809 30 20 DJED CC[C@H](C)Sc1ccc(NC(=O)N[C@H](CC)CC#N)c(C)c1 157318345 PBFGBTYCJUUVGT-UONOGXRCSA-N 319.474 4.699 30 20 DJED COc1ccc(C#N)cc1CN[C@@H](C)c1cccc2ccccc12 181654571 XSMJWVSOCBAMBG-HNNXBMFYSA-N 316.404 4.571 30 20 DJED COc1cccc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)c1 206089540 YFBHZZOOBABWEB-HJWRWDBZSA-N 306.283 4.610 30 20 DJED Cc1ccccc1/C=C\C(=O)c1cnn(-c2ccc(F)cc2)c1C 214109389 LXLGGAGXBIGFSY-GHXNOFRVSA-N 320.367 4.524 30 20 DJED COc1cc(/C=C\C(=O)c2cccc(Cl)c2)ccc1SC 214932572 NYQURQQLIVSACV-VURMDHGXSA-N 318.825 4.967 30 20 DJED Clc1ccc(C=NOCc2ccc(Br)cc2)cc1 249984617 HKLHHAIMVQWFOO-UHFFFAOYSA-N 324.605 4.653 30 20 DJED CC(C)(C)c1ccc([C@H]2CCCN2c2ccc(C#N)cn2)cc1 301119918 ZPKVPZAZLZRJDE-GOSISDBHSA-N 305.425 4.592 30 20 DJED Cc1ccc([C@@H]2OCCC[C@@H]2C(O)=Nc2scnc2C)cc1 329933173 JDAOFVOYBXQDOG-GJZGRUSLSA-N 316.426 4.516 30 20 DJED Cc1ccc([C@H](NCc2ccc(C#N)s2)C2CCCC2)o1 421867829 CJLDRIOSYNSFLB-QGZVFWFLSA-N 300.427 4.542 30 20 DJED C=CCCC(=O)N1CCc2ccccc2[C@H](c2ccccc2)[C@H]1C 435364943 GKNXKGPUTBQCBV-VGSWGCGISA-N 319.448 4.558 30 20 DJED C=C[C@@H](CC(=O)N[C@@H](C)c1cc2ccccc2o1)c1ccccc1 466498904 HFSPQCODSFAPRC-HOTGVXAUSA-N 319.404 4.970 30 20 DJED CC#CCCCC(=O)N1CCCC[C@H]1CCCc1ccccc1 466652491 XOFCBSKIZMSBJM-FQEVSTJZSA-N 311.469 4.584 30 20 DJED C=CC[C@H](CC)N[C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 467417284 KGLIHRNBYLNGTD-WBVHZDCISA-N 317.477 4.566 30 20 DJED CC(C)(C)N(CCCCC#N)Cc1ccccc1Br 474171575 QXDCHSWYRBVGOZ-UHFFFAOYSA-N 323.278 4.743 30 20 DJED CC(C)Oc1c(Cl)cccc1NCc1cc(C#N)ccc1F 487394289 KMHFBYMCTJZALK-UHFFFAOYSA-N 318.779 4.750 30 20 DJED C=CC[C@H](C(=O)Nc1ccc2ncccc2c1)c1ccccc1 488675487 IXRDNFSTRYMZNA-SFHVURJKSA-N 302.377 4.533 30 20 DJED CC[C@H](CC#N)N[C@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 517755054 LYJWMZCHXNTJNE-IUODEOHRSA-N 317.820 4.646 30 20 DJED CCC[C@H](C#N)NC(=O)c1ccc(Sc2ccccc2C)cc1 532983304 YFYJRGYFASQBBT-MRXNPFEDSA-N 324.449 4.568 30 20 DJED N#CC1(CSCc2ccc(Cl)cc2Br)CC1 540614570 PSRSLINEKKSGFP-UHFFFAOYSA-N 316.651 4.639 30 20 DJED CCC(C)(C)OCc1ccccc1NC(=O)c1ccc(C#N)cc1 543493994 SONRQSYXZSTWLN-UHFFFAOYSA-N 322.408 4.516 30 20 DJED CN(Cc1ccc(-c2ccccc2Cl)o1)CC(C)(C)C#N 552085661 HLCXUOBFHHXGHQ-UHFFFAOYSA-N 302.805 4.582 30 20 DJED N#Cc1cc(Oc2ccc(NC[C@@H]3CC=CCC3)cc2)ccn1 563840306 FTKPKMRHZHSEIR-OAHLLOKOSA-N 305.381 4.514 30 20 DJED CC(C)(C#N)Cc1nc(Cc2ccc(C3CCCCC3)cc2)no1 596604280 CVBLWLWXAIXCDN-UHFFFAOYSA-N 323.440 4.800 30 20 DJED C[C@H](C#N)N(C(=O)c1cc(-c2ccccc2)ccc1Cl)C1CC1 598129151 SQMMSNOEBIWJIB-CYBMUJFWSA-N 324.811 4.524 30 20 DJED Cc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1C 602756305 RPLDQTPKXGADMG-LLVKDONJSA-N 324.449 4.614 30 20 DJED C=CCn1c(S[C@H]2CCC[C@@H](C)C2)nnc1-c1ccoc1C 605076197 PPMSGCMQODGZJF-OCCSQVGLSA-N 317.458 4.703 30 20 DJED N#CC1(C(=O)Nc2cccc(Sc3ccccc3)c2)CCCC1 609375176 ISZCGSFQJDPGGZ-UHFFFAOYSA-N 322.433 4.860 30 20 DJED C=C[C@H](C)N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 610831718 OTBCYLLHDYRNSZ-RYUDHWBXSA-N 302.399 4.548 30 20 DJED N#CC[C@@H](CC(=O)Nc1ccc(C2CC2)cc1)c1ccccc1 619441750 OUEUHJFLSNBBCL-SFHVURJKSA-N 304.393 4.590 30 20 DJED C=C(C)[C@H](NCc1cccc(O)c1Cl)c1ccc(F)c(F)c1 645171799 QWKVYFNMEYQQEU-KRWDZBQOSA-N 323.770 4.731 30 20 DJED C=CC[C@H](CC)NC(=O)c1cnc(-c2ccccc2Cl)s1 684938926 JDNKIKBTNCRQJE-NSHDSACASA-N 320.845 4.548 30 20 DJED C=CCn1c([C@H](C)CC)nnc1N1CCC[C@H]1c1ccc(C)cc1 685552022 GHSZYENYXWSWKU-AEFFLSMTSA-N 324.472 4.628 30 20 DJED CCCOc1cccc(/C=C2\CCOc3ccccc3C2=O)c1 728441558 LZBVMJIYPIOHAV-DTQAZKPQSA-N 308.377 4.524 30 20 DJED Cc1ccccc1-c1cccc(CNCc2ccc(C#N)cc2)c1 729678293 QJUJQDYLQHIADF-UHFFFAOYSA-N 312.416 4.824 30 20 DJED Cc1ccc(C2CC(=NNc3cccc([N+](=O)[O-])c3C)C2)cc1 729819488 MEAIMDJCAVNLFN-UHFFFAOYSA-N 309.369 4.557 30 20 DJED C#Cc1cccc(NC(=S)N[C@H](c2ccccc2C)C(C)C)c1 732624153 FLQNZQIHLPPAID-IBGZPJMESA-N 322.477 4.660 30 20 DJED N#CCC[C@H](C#N)CNc1ccc(OC2CCCC2)c(Cl)c1 732918459 FQDIAIHLAJYXGQ-CYBMUJFWSA-N 317.820 4.517 30 20 DJED CCOc1cc(/C=C\C(=O)c2cccc(C)c2C)ccc1OC 734304940 BNDOKRPLXWHEME-LUAWRHEFSA-N 310.393 4.607 30 20 DJED Fc1ccc([C@H]2CCCC2=NNc2nncc3ccccc23)cc1 741160829 ZXGBCMKINDDNDB-MRXNPFEDSA-N 320.371 4.505 30 20 DJED CCCCOc1ccc(/C=C\C(=O)c2ccc3c(c2)COC3)cc1 742436570 LUYWXKGQIDMOFB-WDZFZDKYSA-N 322.404 4.792 30 20 DJED O=C(/C=C\c1c(Cl)nc2ccccn12)c1coc2ccccc12 747705056 JXKOBXBRDOCHJY-HJWRWDBZSA-N 322.751 4.630 30 20 DJED O=C(/C=C\c1cc2ccccc2o1)c1cnn(-c2ccccc2)c1 750908315 DWSNRUOCLPMMLU-KHPPLWFESA-N 314.344 4.515 30 20 DJED Cc1cc(/C=C2\CSc3ccc(F)cc3C2=O)cnc1Cl 760262301 JFQQKGFIGPGUKI-VZUCSPMQSA-N 319.788 4.555 30 20 DJED CCCCCCC[S@@](=O)Cc1ccc(OC)c(Cl)c1 763283649 NFHOQBIWNWDGJE-LJQANCHMSA-N 302.867 4.568 30 20 DJED C(CCC1CCOCC1)=NN=C1c2ccccc2-c2ccccc21 764905267 KKHDHOWDPFRQHB-UHFFFAOYSA-N 318.420 4.697 30 20 DJED C[C@H](SCc1ccccc1)C(=O)OCCCCC(C)(C)C#N 768605377 GGLIWYUYPSHJFO-HNNXBMFYSA-N 319.470 4.572 30 20 DJED Cc1ccoc1C(=O)/C=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 769783209 AHDWFQAPEQBMCS-ALCCZGGFSA-N 323.304 4.652 30 20 DJED C=C(CC)COC(=O)Cc1csc(-c2ccccc2Cl)n1 773477481 WWCZYRSFZKWCOW-UHFFFAOYSA-N 321.829 4.515 30 20 DJED Clc1cccc(C2CC(=NNc3ccc4[nH]ncc4c3)C2)c1 779812648 WEWHFNVZQMOXQF-UHFFFAOYSA-N 310.788 4.562 30 20 DJED COc1ccc2cc(/C=C\C(=O)c3ccccc3C#N)ccc2c1 799498706 CWNZWQYPZIAAEL-XFFZJAGNSA-N 313.356 4.616 30 20 DJED CC(C)(C#N)CCCCOC(=O)c1ccc(C(F)(F)F)s1 803863283 JRZGDZMOGGWCHW-UHFFFAOYSA-N 319.348 4.644 30 20 DJED C#CC[C@@H](NC/C(C)=C\c1ccccc1COC)c1ccccc1 814295348 XTHVFHKYNKMPFU-JVCJXORTSA-N 319.448 4.591 30 20 DJED CC(C)c1ccc(NN=Cc2c(C(C)C)nn(C)c2Cl)cc1 835018924 YAWUSZUFTHTIIB-UHFFFAOYSA-N 318.852 4.766 30 20 DJED C=CC(C)(C)c1nc(-c2ccc(COc3ccccc3)cc2)no1 904446892 SXCAFGIULSCJGT-UHFFFAOYSA-N 320.392 4.779 30 20 DJED O=C(/C=C/c1ccccc1F)c1sccc1Br 915113286 NIHZKPLXIIYUHV-AATRIKPKSA-N 311.175 4.546 30 20 DJED CCc1cccc2c(/C=C/C(=O)c3ccc(F)cc3F)c[nH]c12 916128302 WJBVZDOFLZYMKB-RMKNXTFCSA-N 311.331 4.905 30 20 DJED CCOc1cc(/C=C/C(=O)c2cc(C)c(C)cc2C)ccc1O 916156015 XRNADNFCYHQHNS-SOFGYWHQSA-N 310.393 4.612 30 20 DJED C=C[C@H](CC)CC(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 932527142 XTHLKMYCLIDBAO-CQSZACIVSA-N 316.445 4.520 30 20 DJED CC[C@H](C#N)[C@H](OC(=O)C[C@@H](C)c1ccco1)c1cccs1 1123106237 MCGAGWRDSBUUCE-XNJGSVPQSA-N 317.410 4.669 30 20 DJED CC(C)c1ccc(CC2CCN(c3ccncc3C#N)CC2)cc1 1186021313 DLEJLSKJYCGQBX-UHFFFAOYSA-N 319.452 4.536 30 20 DJED C[C@@H]1C[C@H]1c1ccc(CN(Cc2cccc(F)c2C#N)C2CC2)o1 1308651916 YYDNHARJWBZKDN-CXAGYDPISA-N 324.399 4.578 30 20 DJED N#Cc1ccnc(/C=C\c2ccc(-c3cccc(F)c3F)o2)c1 1323087052 KCOZFLJHEHXBME-PLNGDYQASA-N 308.287 4.662 30 20 DJED CC(C)c1ccc(CCC(=O)O[C@@H](C)c2cccc(C#N)c2)cc1 1457760116 KCAHZGZOMKAYFW-INIZCTEOSA-N 321.420 4.919 30 20 DJED CC[C@H]1CCCC[C@@H]1C(=O)N(CC)c1ccc(C#N)c(Cl)c1 1458041582 ZWDCNJVLOKFZMT-BBRMVZONSA-N 318.848 4.781 30 20 DJED Cc1ccc2ncc(C#N)c(OC[C@H]3CCCCC3(F)F)c2c1 1473036561 NQUZGQYKRULFSF-CQSZACIVSA-N 316.351 4.619 30 20 DJED CCCC[C@H](CCC)CNC(=O)Nc1ccc(C#N)cc1Cl 1476276515 VYUFCPOWXMZMBC-ZDUSSCGKSA-N 321.852 4.940 30 20 DJED Cc1ccc(C#N)cc1NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 1515541759 SXLQGCKRDKJZQP-INIZCTEOSA-N 320.436 4.807 30 20 DJED CCc1ccc([C@H](NC(=O)c2cccc(C#N)c2C)C(C)C)cc1 1523790521 DWLSMKLJCKKLGR-HXUWFJFHSA-N 320.436 4.556 30 20 DJED CC(C)CCC(=O)OCc1ccccc1Oc1ccccc1C#N 1525713533 LDXLNNMQUSJDND-UHFFFAOYSA-N 323.392 4.830 30 20 DJED C=C(CNCc1ccc(F)c(C(F)(F)F)c1)c1ccccc1 1620773219 RHIGKPHONAEZQZ-UHFFFAOYSA-N 309.306 4.648 30 20 DJED Cc1ccc(CCN(Cc2ccc(C#N)cc2)CC(C)C)cc1 1641621635 KKOGKMZBWUJPJJ-UHFFFAOYSA-N 306.453 4.567 30 20 DJED CCN(Cc1cccc(SCc2ccccc2)c1)[C@H](C)C#N 1643952122 KBRRVJCZKCQQCC-MRXNPFEDSA-N 310.466 4.713 30 20 DJED Cc1ccc(C#N)c(N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)n1 1650752785 NKRYXDZLTLTRFQ-ZTFRIQLXSA-N 311.816 4.724 30 20 DJED C[C@@H]1CCC[C@H](CCN2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 1653428128 TXPDLPSQLJQBTE-VURPSTOHSA-N 310.485 4.975 30 20 DJED CC[C@H](C#N)Sc1nc2ccccc2n1-c1ccc(F)cc1 1656246730 QZDHEFWEYNTNKE-CQSZACIVSA-N 311.385 4.559 30 20 DJED CC(C)Oc1ccc(CN(CCC#N)CC(C)(C)C)cc1Cl 1657377620 FQRNCVVUWAOPJB-UHFFFAOYSA-N 322.880 4.889 30 20 DJED Cc1ccccc1C(NC[C@@H](C)CCC#N)c1ccccc1C 1664185063 NMPZVUQLEDCLSQ-INIZCTEOSA-N 306.453 4.922 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)o1 33369200 VIIZELYENHFUBF-VURMDHGXSA-N 323.304 4.652 30 20 DJED C=CCN(CC=C)Cc1csc(Cc2ccc(Cl)cc2)n1 58918889 OOKNXBQIBOQNCJ-UHFFFAOYSA-N 318.873 4.561 30 20 DJED C=CCn1c(S[C@@H](C)c2ccccc2Cl)nnc1C1CC1 72736542 KCPWLCNZTCKAGX-NSHDSACASA-N 319.861 4.848 30 20 DJED Cc1cc(Cl)ccc1NC(=O)c1cccc(SCC#N)c1 79380685 KNMVXTXTYWRJBT-UHFFFAOYSA-N 316.813 4.516 30 20 DJED CC(C)Cc1ccc([C@@H](C)NCc2cccc(OCC#N)c2)cc1 124417780 BLMQMIDLVZZSRV-QGZVFWFLSA-N 322.452 4.638 30 20 DJED Cc1c(CSC(C)C)cccc1NCc1ccc(C#N)o1 174541100 KHXRNHSKOAPXHV-UHFFFAOYSA-N 300.427 4.713 30 20 DJED C=CCCC[C@H](C)N[C@H](C)c1sc(-c2cccnc2)nc1C 182183223 BOYQVVMCAFTKRU-UONOGXRCSA-N 315.486 4.909 30 20 DJED C=CCC1(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)CCC1 191615804 HHZRTUGVUJUUAU-UHFFFAOYSA-N 320.436 4.530 30 20 DJED CCCCOc1cc(/C=C2/Cc3ccccc3C2=O)ccc1OC 212564584 PNKNGKWKDSGENH-ATVHPVEESA-N 322.404 4.697 30 20 DJED Cc1ccc(-c2nc(CNc3ccc(CC#N)cc3)cs2)cc1 237791426 YWFNFHJBBGEVJA-UHFFFAOYSA-N 319.433 4.797 30 20 DJED Cc1ccccc1[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 245436035 UQGXFGAQGVJIJV-XHSDSOJGSA-N 324.449 4.555 30 20 DJED N#CCCSc1ccccc1NC(=O)CCC1CCCC1 264558511 QNCAFDOCEFDSNR-UHFFFAOYSA-N 302.443 4.601 30 20 DJED N#Cc1ccc(F)c(CNc2ccnc3cc(Cl)ccc23)c1 301448141 DTDAAKLSFDCOJF-UHFFFAOYSA-N 311.747 4.511 30 20 DJED C[C@H](N[C@H](CCC#N)c1ccccc1)c1nccc2ccccc12 353255741 OBSFNZHGOZZBFA-OXJNMPFZSA-N 315.420 4.930 30 20 DJED Cc1ccc([C@H](NCCCCC(C)(C)C#N)c2ccccn2)cc1 373400711 RJGWVDUTIBHRBJ-FQEVSTJZSA-N 321.468 4.789 30 20 DJED CCSc1ccccc1[C@@H](C)NCc1ccc(C#N)s1 421877580 KXAFOUFGUYRBHT-GFCCVEGCSA-N 302.468 4.583 30 20 DJED CC(C)c1ccoc1-c1noc(C[C@H](CC#N)c2ccccc2)n1 426189375 AMKSBOBXEUBHFJ-HNNXBMFYSA-N 321.380 4.693 30 20 DJED CCC(CC)N(CC(C)C)C(=O)Nc1cccc(C#N)c1C 432271569 QRZANRAVCQFHOW-UHFFFAOYSA-N 301.434 4.545 30 20 DJED C=CCOCCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H](C)CC 464002643 FEYMAILAWQMQRM-KSSFIOAISA-N 323.864 4.526 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)CCCc1cccs1 470643487 GKQJWZYTPGGZJR-UHFFFAOYSA-N 313.466 4.676 30 20 DJED COc1ccc(Cl)cc1[C@H](CC(C)C)N[C@@H]1CC[C@@H](C#N)C1 471599459 SJDVKEZYCUEKHL-UNEWFSDZSA-N 320.864 4.718 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@@H](C)c2cc3cccc(F)c3o2)c1 473899835 CJUVNPSCPHHUCG-NSHDSACASA-N 322.339 4.819 30 20 DJED C=CCN(C(=O)[C@H](C)c1cn(C)c2ccccc12)c1ccccc1 484091286 AKSWLCMLVLZYKG-MRXNPFEDSA-N 318.420 4.501 30 20 DJED CCOc1ccccc1CN(C)Cc1ccccc1C(C)(C)C#N 487374256 XAPOPCJIZKZIJV-UHFFFAOYSA-N 322.452 4.518 30 20 DJED C=CCC[C@@H](C(=O)Nc1cccc(F)c1F)c1ccccc1 488714142 NORXRLSHTNANSB-CQSZACIVSA-N 301.336 4.653 30 20 DJED C[C@H](NC[C@@H]1CCCCC(F)(F)C1)c1ccc(C#N)cc1F 495016795 KJPKXYARHGSBBJ-GXTWGEPZSA-N 310.363 4.564 30 20 DJED CCN(C(=O)C[C@@H]1CCC[C@H](C)C1)[C@H](C)c1ccc(C#N)cc1 504075466 YTLOHWZMVORTJR-LZLYRXPVSA-N 312.457 4.684 30 20 DJED CC(C)Sc1ccc([C@@H](C)NC(=O)c2cccc(C#N)c2)cc1 504751477 UTLWTZVPCUOYTC-CQSZACIVSA-N 324.449 4.550 30 20 DJED CCC[C@H](C)CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 505307636 HPJHYFSQBJNNPI-GXFFZTMASA-N 313.228 4.501 30 20 DJED Cc1ccc2ccccc2c1CSc1nnc(C)c(C)c1C#N 511890516 MDWAWEFXTVXCQZ-UHFFFAOYSA-N 319.433 4.719 30 20 DJED C=CCOc1cccc(CNCc2ccc3ccccc3c2)c1 521848786 XJRPXFABJWWQLQ-UHFFFAOYSA-N 303.405 4.694 30 20 DJED C=C[C@H](CC(=O)Nc1ccc(Cl)cc1F)c1ccccc1 533881917 ZAOVIYDIVZMPGD-GFCCVEGCSA-N 303.764 4.778 30 20 DJED C=C[C@H](CC(=O)NC[C@H](C)c1cccc(C)c1)c1ccccc1 535451769 XXWIOZUYKBTLIL-ZWKOTPCHSA-N 307.437 4.575 30 20 DJED CCCC[C@H](NCCCC(C)(C)C#N)c1ccc(OC)cc1 538200691 BASBWOKVBQCCLU-SFHVURJKSA-N 302.462 4.846 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@H]1C[C@H]1c1ccccc1 538726889 CWUYSFBVLYNCGP-MBDNFAEBSA-N 316.448 4.562 30 20 DJED C=CCCCC(=O)N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C 539036186 VWVKJRYQZQOPQJ-NSHDSACASA-N 312.240 4.795 30 20 DJED C[C@@H](NCCOC(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 541087002 UFEDHRNAWJQAPM-MRXNPFEDSA-N 322.452 4.691 30 20 DJED C=C(C)C(C)(C)C(=O)N(C)c1nc2c(Cl)cccc2s1 565602011 BQLGQMYKXMAPIO-UHFFFAOYSA-N 308.834 4.515 30 20 DJED Cc1csc(NC(=O)[C@H](C)c2ccc3ccccc3c2)c1C#N 566729306 HQXWSINBZKKSCU-CYBMUJFWSA-N 320.417 4.824 30 20 DJED CC(C)(C)[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 568334032 QIPWJWAMTQQWIZ-VQTJNVASSA-N 304.437 4.923 30 20 DJED Cc1cccc2c1CC[C@H]2N[C@H](C)c1ccc(C#N)cc1Cl 569657229 UPKLUCGSVSQHGL-BFUOFWGJSA-N 310.828 4.858 30 20 DJED CCc1ccc2occ(C(=O)Nc3sc(C)c(C)c3C#N)c2c1 583655261 TZTQRBGPJOGTBI-UHFFFAOYSA-N 324.405 4.798 30 20 DJED N#Cc1cc(F)cc(NCc2c(Cl)ccc3cccnc23)c1 600857470 ANKBXQQEBYEDHR-UHFFFAOYSA-N 311.747 4.511 30 20 DJED C=CCCCCCN(C)C(=O)c1ccc(Oc2ccccc2)nc1 606816559 FFPBZGXHSYXHON-UHFFFAOYSA-N 324.424 4.692 30 20 DJED N#Cc1ccc(CNc2ccc(C3CC3)cc2)c(OC(F)F)c1 611305648 WGRWGOKWXOIGGG-UHFFFAOYSA-N 314.335 4.649 30 20 DJED CC[C@@H](C)Oc1cc(CNc2ccc(CC#N)cc2)ccc1OC 612691881 ZQNIHTYVMVQGDR-OAHLLOKOSA-N 324.424 4.551 30 20 DJED CC(C)c1ccc(C(=O)/C=C/c2ccc(O[C@@H](C)C#N)cc2)cc1 728699703 IPLSPCKQCPUXLC-XNWJVHIKSA-N 319.404 4.997 30 20 DJED CC(Cc1cccs1)=NNc1ccc(C#N)c(C(F)(F)F)c1 729639173 YMHCZQPKVVBRSV-UHFFFAOYSA-N 323.343 4.669 30 20 DJED COc1ccc(Cl)cc1C(=O)/C=C\c1cccc(F)c1F 730730262 VZEOZIMPOVHXIS-ALCCZGGFSA-N 308.711 4.523 30 20 DJED CSc1ccc(C(=O)/C=C\c2nccc3ccccc23)cc1 740764671 BKWOZMOQJCTELT-KHPPLWFESA-N 305.402 4.853 30 20 DJED O=C(/C=C\c1ccc(OCC(F)F)cc1)c1ccc(Cl)cc1 741840035 CCTLCIIUAHGUQV-KMKOMSMNSA-N 322.738 4.880 30 20 DJED N#Cc1ccc(SC[C@@H](O)c2cccc(Cl)c2)c(Cl)c1 754679238 BQFBOSDKGUBBAY-CQSZACIVSA-N 324.232 4.691 30 20 DJED CCCC1(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)CCC1 759552393 ZQTHUVDVQJHCHV-GFCCVEGCSA-N 316.401 4.582 30 20 DJED O=C(/C=C/c1ccc(Cl)nc1Cl)c1ccccc1Cl 761475162 MWNVEPCLFKJYHG-FNORWQNLSA-N 312.583 4.938 30 20 DJED Cc1cccc(NN=Cc2ccc(Sc3ccccn3)o2)c1 766432637 XIVOUGWVAYNYOS-UHFFFAOYSA-N 309.394 4.580 30 20 DJED Cc1cccc([C@@H](C)C(=O)OCc2ccccc2C(C)(C)C#N)c1 768026034 AJFFNNSDCQYFAG-MRXNPFEDSA-N 321.420 4.643 30 20 DJED CSc1cc(Br)ccc1/C=C\C(=O)c1ccco1 769771982 UNUWPBRNXGWCLU-ALCCZGGFSA-N 323.211 4.660 30 20 DJED CSc1ccc(C)c(N=Cc2cc3ccccc3nc2O)c1 775630075 JJPXGSCSRSWZGP-UHFFFAOYSA-N 308.406 4.721 30 20 DJED C=CCCOCCCCC(=O)Oc1ccc(Cl)cc1Cl 776074086 WELBQAUPJQDUGH-UHFFFAOYSA-N 317.212 4.662 30 20 DJED O=C(/C=C/c1nc2c(s1)CCCC2)c1cc2ccccc2o1 776262226 DJRZYINLRJPEMB-MDZDMXLPSA-N 309.390 4.664 30 20 DJED C#CC[C@H](N[C@H]1CC(C)(C)c2cc(OC)ccc21)c1ccccc1 788982917 GGMARWDYVHRUEH-SFTDATJTSA-N 319.448 4.772 30 20 DJED CC[C@H](C)CCC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 796812643 UAIBIQHXVXOYLH-CMPLNLGQSA-N 320.845 4.952 30 20 DJED FC(F)(F)c1ccccc1ON=Cc1cccc2cc[nH]c12 814888027 OZGHOTSHAOUHBX-UHFFFAOYSA-N 304.271 4.600 30 20 DJED C=CCC(F)(F)C(=O)N[C@@H](c1cccs1)C(CC)CC 815089883 ROORVJOHYWMRRP-CYBMUJFWSA-N 301.402 4.553 30 20 DJED C=CC[C@@H](N[C@H](C)c1ccc(Cl)cc1OC)c1ccncc1 817576979 BHYHQCHQZJJZMC-CXAGYDPISA-N 316.832 4.712 30 20 DJED CC(C)Cc1ccc([C@@H](C)NCc2cc(C#N)ccc2F)cc1 818717542 IMNKRYLNSFPTAE-OAHLLOKOSA-N 310.416 4.747 30 20 DJED Cc1ccccc1-c1ccccc1C=NN[C@H]1CCOC(C)(C)C1 834972883 QWXOVBWGBYBNLA-SFHVURJKSA-N 322.452 4.543 30 20 DJED COc1cc(F)cc(NN=C[C@H]2CCC[C@H](C(F)(F)F)C2)c1 853319431 SPWGEGJJXXMCHL-QWRGUYRKSA-N 318.314 4.601 30 20 DJED C=CC(C)(C)CC(=O)N(Cc1cccnc1)Cc1ccccc1C 888359930 SZMZEJBYQBRHQA-UHFFFAOYSA-N 322.452 4.521 30 20 DJED C[C@@H](OC(=O)c1cccc(C#N)c1)c1ccc2ccccc2c1 917959274 BKLUIEXVUCBCKG-CQSZACIVSA-N 301.345 4.629 30 20 DJED Cc1cccc2nc(CSCCCCC(C)(C)C#N)cn12 1116796348 YLDPUZRAFUJTLC-UHFFFAOYSA-N 301.459 4.596 30 20 DJED CCCc1ccc(C[S@@](=O)CCCCC2(C#N)CCC2)cc1 1120085307 KGKTYMNPTSGXCX-QFIPXVFZSA-N 317.498 4.752 30 20 DJED CC(C)Cc1ccc([C@H](C)C(=O)N(C)c2cccc(C#N)c2)cc1 1125416976 JJRVOSXUBAZIIT-INIZCTEOSA-N 320.436 4.523 30 20 DJED C[C@H](C1CCCCC1)N(C)Cc1cc(Cl)ccc1OCC#N 1169724179 LXDPNJCQHPUOIA-CQSZACIVSA-N 320.864 4.643 30 20 DJED CCCc1c(N[C@@H](C)CC(C)(C)C#N)cnn1-c1cccc(C)c1 1205589064 JVVKBVIVMBDVCF-INIZCTEOSA-N 324.472 4.874 30 20 DJED CCOc1cccc(C(=O)/C=C\c2ccc(N3CCCC3)cc2)c1 1251326356 SZSNOLUSTYZLSZ-RAXLEYEMSA-N 321.420 4.582 30 20 DJED CC(C)CC[C@H]1CCC[C@H]1NCc1ccc(C#N)cc1Cl 1307691834 UZZRFQQIWVWEPC-CRAIPNDOSA-N 304.865 4.906 30 20 DJED C/C(=C\C(=O)[C@@H](C#N)c1nc(C(C)C)cs1)c1cccs1 1342713671 AFJIBNUMGGUFAY-YTRUQHMWSA-N 316.451 4.608 30 20 DJED Cc1cccc2oc(C(=O)Nc3ccc(Cl)c(C#N)c3)cc12 1356441226 LQEPIRXHEOZZFA-UHFFFAOYSA-N 310.740 4.519 30 20 DJED CC[C@H](CC(F)F)CN(Cc1ccc(C#N)cc1)CC(C)C 1459382155 QSIDWYFXFUHYAV-OAHLLOKOSA-N 308.416 4.698 30 20 DJED CCc1ccc(C2CCN(Cc3ccc(C#N)s3)CC2)cc1 1460572444 DUEOQRAQHRZYIA-UHFFFAOYSA-N 310.466 4.562 30 20 DJED CCC[C@@H]1CCc2ccccc2N1CCc1ccc(C#N)cc1 1473253692 UUZHWHGRHJMIDC-HXUWFJFHSA-N 304.437 4.722 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cccc(C2CCC2)c1 1585641655 UZEVBYGCZBOTCY-OAHLLOKOSA-N 318.420 4.659 30 20 DJED C[C@@H](SCC1(C)CCCCC1)C(=O)Nc1ccccc1C#N 1613797952 UIUKCVKZLCTEJS-CQSZACIVSA-N 316.470 4.589 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)c1ccc(CCC)cc1 1617897786 MUIBCMYYBPTYGS-UHFFFAOYSA-N 321.424 4.585 30 20 DJED Cc1nc(N2CCC(CCC(C)C)CC2)c(Cl)cc1C#N 1639611145 WZWIXRFYRLXXCV-UHFFFAOYSA-N 305.853 4.568 30 20 DJED Cc1cc(Cl)ccc1Oc1ccc(CN[C@@H](C)CC#N)cc1 1643629076 HZYMIEGLDFGFQU-AWEZNQCLSA-N 314.816 4.833 30 20 DJED CC(C)(C)c1ccc(C(=O)/C=C\c2ccc(/C=C\C(=O)O)o2)cc1 1776120122 WJJDQEIQSGEGMS-MIMPSMLTSA-N 324.376 4.571 30 20 DJED COc1ccc2c(-c3ccccc3)cc(S[C@H](C)C#N)nc2c1 4297195 VKVQOMXCSLQDOU-CYBMUJFWSA-N 320.417 4.915 30 20 DJED CCCOc1ccc(NCc2ccc(C#N)cc2)cc1Cl 37780766 GETIIBGBBAWDBI-UHFFFAOYSA-N 300.789 4.613 30 20 DJED CC(C)Oc1cccc([C@H](C)Nc2snc(Cl)c2C#N)c1 52280502 TUJMRTDCEYWPKD-JTQLQIEISA-N 321.833 4.628 30 20 DJED N#Cc1cccc(CSCc2nnc(-c3ccccc3)s2)c1 127904421 KWYBJGSJNQOQTC-UHFFFAOYSA-N 323.446 4.510 30 20 DJED CC(C)(CCC#N)CNCCc1nc(C2CCCCC2)cs1 174413508 LOFSVHHALSSLTR-UHFFFAOYSA-N 319.518 4.653 30 20 DJED CCC[C@H](NCc1cc(C#N)ccc1F)c1ccc(F)cc1F 181657869 CGQKDLVDLCXAIL-SFHVURJKSA-N 318.342 4.607 30 20 DJED CCCCCCCC[S@](=O)Cc1nc2ccccc2nc1C 190744669 UBISDEGORRYKES-QFIPXVFZSA-N 318.486 4.547 30 20 DJED CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(C#N)c(O)c1 190896944 DBZFLZYCTPBRBM-UHFFFAOYSA-N 322.408 4.763 30 20 DJED COc1ccc2ccccc2c1CN[C@@H](C)c1ccc(C#N)cc1 192940709 AOBCHQMTQPCLHV-HNNXBMFYSA-N 316.404 4.571 30 20 DJED Cc1ccc(/C=C\C(=O)c2ccc(N3CCCCC3)cc2)s1 210432628 HJQVADSDHIIZEM-QXMHVHEDSA-N 311.450 4.943 30 20 DJED CC(C)c1ccccc1NC(=O)c1ccc(C(C)(C)C#N)cc1 279928197 MZDYSWFNBMDVNF-UHFFFAOYSA-N 306.409 4.863 30 20 DJED C[C@@H](Nc1c(F)cc(C#N)cc1F)c1cccc(OC(F)F)c1 301131831 ZOYLZDKCJFCJFJ-SECBINFHSA-N 324.277 4.611 30 20 DJED C[C@H](/N=C(/O)C1(C2CCCCC2)CCCCC1)c1cn[nH]c1 329935070 KDKLBKZHHMVTDY-AWEZNQCLSA-N 303.450 4.958 30 20 DJED C=CCC[C@@H](NC(=O)c1ccc2oc(C)nc2c1)c1ccccc1 348344195 QQLQGNDEHJCBSM-QGZVFWFLSA-N 320.392 4.574 30 20 DJED CCCCCOc1ccc(CNc2cccc(OCC#N)c2)cc1 392116749 PVMQYCUWBCCLFH-UHFFFAOYSA-N 324.424 4.770 30 20 DJED Cc1ccc(CSCCCC2(C#N)CCOCC2)c(C)c1 419649365 SOSCVSSNUIQUEN-UHFFFAOYSA-N 303.471 4.637 30 20 DJED CC(C)(CCC#N)CN[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 449771484 JVFPQQQBJFIEGN-WBVHZDCISA-N 304.865 4.896 30 20 DJED C=CC[C@@H](CC)NC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 466378467 NPPMPODSNCZGFI-CVEARBPZSA-N 306.837 4.541 30 20 DJED CCCOc1ccc(C(C)(C)NCc2ccc(C#N)c(C)c2)cc1 475666388 BXAICOBJGQJCPG-UHFFFAOYSA-N 322.452 4.680 30 20 DJED C[C@@H](Sc1cc(C#N)ccn1)c1cccc(Br)c1 488728602 FIEUTGHCEVNVMO-SNVBAGLBSA-N 319.227 4.569 30 20 DJED CC(C)c1ccsc1C(=O)N[C@H](C#N)c1ccccc1Cl 505684338 OJXGHGFGZYHHLV-CQSZACIVSA-N 318.829 4.520 30 20 DJED CCSc1ccc(Cl)cc1NC(=O)c1ccc(C#N)cc1 517852178 IRMSSUVCIUFEDV-UHFFFAOYSA-N 316.813 4.576 30 20 DJED Cc1ccc(COc2c(C)cc(CN(C)CCC#N)cc2C)cc1 523789292 FZUWIRWXMFBWJV-UHFFFAOYSA-N 322.452 4.536 30 20 DJED CC(C)(CCC#N)CN1CCCC[C@@H]1Cc1ccc(F)cc1 538738813 JEBDITZKTKKAQO-GOSISDBHSA-N 302.437 4.553 30 20 DJED C=CCCN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 547749540 JQSGMPHTHXOPAJ-LBPRGKRZSA-N 311.269 4.865 30 20 DJED C[C@H](NC1(c2ccc(Cl)cc2)CCC1)c1cccc(C#N)c1 557367087 AEAQDAZVHWDMDV-AWEZNQCLSA-N 310.828 4.942 30 20 DJED N#CC[C@H](Cc1nc(C2CCCCCC2)no1)c1ccccc1 563536918 QVOLJFCKPYGVBP-QGZVFWFLSA-N 309.413 4.747 30 20 DJED N#CC1(CC(=O)Nc2ncccc2-c2ccccc2)CCCCC1 598824267 OMDRMEXDBNXVMW-UHFFFAOYSA-N 319.408 4.551 30 20 DJED C[C@H](CCC#N)CN1CCc2sccc2[C@H]1c1cccs1 602435624 JDYAWLXOWZSRCN-DYVFJYSZSA-N 316.495 4.697 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)N[C@H](C)c1cccc(C#N)c1 610362334 PZGNQZBMIORIAF-QAPCUYQASA-N 312.457 4.732 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](C)C1CCCC1 610522703 OAHHTOLLPFSZTG-ZIAGYGMSSA-N 316.470 4.703 30 20 DJED CC[C@@H](C)n1ncc(N[C@H]2CCCc3cc(C#N)ccc32)c1C 616365806 SIIYPNCXRYDHFK-ACJLOTCBSA-N 308.429 4.524 30 20 DJED CC(=O)c1ccc(C#N)c(NC[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 680374652 HUTKTVZKQAMPHR-GJZGRUSLSA-N 324.346 4.541 30 20 DJED C#Cc1cccc(N(C(=O)C[C@H](C)c2ccccc2F)C(C)C)c1 728245794 ITFCSFDTWIROJK-INIZCTEOSA-N 323.411 4.742 30 20 DJED Cc1ccccc1C(=NNc1ccc2ccccc2n1)C1CC1 731923346 GSZXEMUPJJOYBI-UHFFFAOYSA-N 301.393 4.769 30 20 DJED CCC(=NNc1cnc2ccccc2n1)c1ccc(Cl)s1 733204795 ZXVLMEFUGCCKGJ-UHFFFAOYSA-N 316.817 4.571 30 20 DJED COc1cccc(/C=C\C(=O)c2sccc2C)c1OC(F)F 733749567 OSPPYUIISLBZTO-SREVYHEPSA-N 324.348 4.563 30 20 DJED COc1cccc(NN=Cc2cnc(-c3ccc(C)cc3)s2)c1 734297199 VIWBLDYMAAPONJ-UHFFFAOYSA-N 323.421 4.573 30 20 DJED COCc1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cc1 741842288 GLKYFTCHRDCXML-IZZDOVSWSA-N 320.310 4.748 30 20 DJED CCCOc1cc(/C=C\C(=O)C2CCCCC2)ccc1OC 747003580 JMAMBFDAEKMQAR-LUAWRHEFSA-N 302.414 4.647 30 20 DJED CC(C)Oc1cccc(/C=C/C(=O)c2c[nH]c3cc(F)ccc23)c1 749451582 GVRLTNISNAZDQJ-RMKNXTFCSA-N 323.367 4.990 30 20 DJED O=C1/C(=C\c2cc3ccccc3o2)CSc2ccc(F)cc21 750901100 CBLUWLFPCHNQEQ-WQLSENKSSA-N 310.349 4.944 30 20 DJED COc1cc(C)c([C@H](C)N[C@H](C)c2cccc(C#N)c2)cc1C 753661008 BUTPBDQGMWLFGD-CVEARBPZSA-N 308.425 4.596 30 20 DJED CC(C)(C#N)CNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 781802200 UHTRTPHYDBAXDD-UHFFFAOYSA-N 321.384 4.773 30 20 DJED C#CCC1(C(=O)Nc2cccc(SC)c2C)CCCCC1 788459423 AKXUUWPCAJFCOE-UHFFFAOYSA-N 301.455 4.629 30 20 DJED CCCc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1 792830314 HMHCWWXQPPPNEX-UHFFFAOYSA-N 306.409 4.693 30 20 DJED C=CCCCCC[C@H](C)N[C@@H](C)c1ccc([S@](C)=O)cc1 793545365 BMFGBVCIBUZUHB-QYWGDWMGSA-N 307.503 4.600 30 20 DJED CCC[C@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915352636 NDBRXBRUJCMNHK-HNAYVOBHSA-N 321.424 4.652 30 20 DJED C(=NNCc1cccc2cccnc12)c1ccc2ccccc2c1 915960035 WRMNBPHJDUUHIS-UHFFFAOYSA-N 311.388 4.512 30 20 DJED Cc1ccc(C)c(C(=O)/C=C/c2ccccc2OC(F)F)c1 916156026 YKXLPIPWQRHADC-MDZDMXLPSA-N 302.320 4.801 30 20 DJED Cc1ccc(C)c(NN=Cc2cn(CCC#N)c3ccccc23)c1 916346788 URQODKJMUBOMRU-UHFFFAOYSA-N 316.408 4.618 30 20 DJED C=CCN(Cc1csc(Cc2ccc(Cl)cc2)n1)C(C)C 917070452 BPMHURVMTXQHCL-UHFFFAOYSA-N 320.889 4.784 30 20 DJED CC#CCCCc1nnc([C@@H](C)Oc2ccc3ccccc3c2)o1 1118367798 VWGLBUDYIXAXBP-OAHLLOKOSA-N 320.392 4.709 30 20 DJED CCCN(c1ccnc(C#N)c1)[C@@H](C)c1cc2ccccc2o1 1162259211 YZRMINSFGDGLRO-AWEZNQCLSA-N 305.381 4.677 30 20 DJED Cc1c(Cl)cnc(N[C@@H](C)C(C)(C)c2ccccc2)c1C#N 1162823555 PATOBVOADLDWAT-ZDUSSCGKSA-N 313.832 4.693 30 20 DJED COc1cccc(-c2nc(CSc3ccccc3C#N)co2)c1 1165679771 JHIWZAOHMUBLRA-UHFFFAOYSA-N 322.389 4.514 30 20 DJED COc1ccc(C#N)cc1CN1CCC[C@@H]1c1cccc(C)c1C 1167464223 JAJBURUNEWVLIZ-HXUWFJFHSA-N 320.436 4.521 30 20 DJED CC[C@@H](Nc1ncc(Cl)c(C)c1C#N)c1cc(F)ccc1F 1185430278 XVEVPNSSHHDAAS-OAHLLOKOSA-N 321.758 4.757 30 20 DJED C[C@@H](CCNc1ncc(Br)cc1C#N)CC(C)(C)C 1186122061 ZWXRITKRRPPKGJ-NSHDSACASA-N 324.266 4.590 30 20 DJED Cc1cc(C#N)ccc1CN1CCc2cc(C(C)(C)C)ccc21 1193673247 DDDIQNLLXCHHFT-UHFFFAOYSA-N 304.437 4.727 30 20 DJED C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(C#N)cc1Cl 1198020837 WPAVPVPXOCCLGO-YWZLYKJASA-N 324.855 4.980 30 20 DJED C=C(Cl)CNC(=O)Nc1ccc(SC(C)(C)C)c(F)c1 1205615182 ZXLOAORKORSJRM-UHFFFAOYSA-N 316.829 4.590 30 20 DJED CC[C@@H](Nc1nc(Cl)c(C#N)s1)c1cc(C)ccc1C 1458539057 KJFGMWZFRLBEJX-GFCCVEGCSA-N 305.834 4.848 30 20 DJED Cc1cc(CN2CCC[C@H](c3ccc(F)cc3)CC2)ccc1C#N 1461992737 NGBDFRWMLLOWIY-SFHVURJKSA-N 322.427 4.776 30 20 DJED CC(C)[C@@H]1C[C@@H](OC(=O)c2cccc(C#N)c2)c2ccccc21 1520101123 JPJIKACYHBNBAE-RBUKOAKNSA-N 305.377 4.600 30 20 DJED N#C[C@@H]1CCC[C@@H](OC(=O)c2cc3cccc(Cl)c3s2)C1 1528488708 BKQLOEOZQUVMPF-ZYHUDNBSSA-N 319.813 4.794 30 20 DJED N#Cc1cc(Cl)ccc1S[C@H](C#N)CCc1ccccc1 1640961415 YMKVBCSXEZIFBO-INIZCTEOSA-N 312.825 4.829 30 20 DJED CC[C@H]1CCCC[C@@H]1CNc1nc(C(F)(F)F)ccc1C#N 1642735296 YNMYJTSIDPDRIB-WCQYABFASA-N 311.351 4.600 30 20 DJED Cc1nc(N2CC[C@@H](CC(C)(C)C)C2(C)C)c(Cl)cc1C#N 1642931809 DAVVURJIYOAOOC-AWEZNQCLSA-N 319.880 4.956 30 20 DJED C=C(Br)CN[C@@H](c1ccc(Cl)cc1)C1CCC1 1645096889 FLIHVSJNIVXHCX-CQSZACIVSA-N 314.654 4.679 30 20 DJED Cc1cc(C)c(C#N)c(S[C@H](C)c2ccc3c(c2)CCC3)n1 1651584533 VWOFLOARUQJIOC-CQSZACIVSA-N 308.450 4.912 30 20 DJED Cc1cc(N[C@H]2CCCc3ccc(C(C)C)cc32)ncc1C#N 1651710336 AEFGTHVJOZTAGV-IBGZPJMESA-N 305.425 4.875 30 20 DJED C=C(Br)CN[C@H](C)c1ccc(F)c2ccccc12 1653773719 NGNWJDFQYSHRFX-LLVKDONJSA-N 308.194 4.538 30 20 DJED CC(C)(C)[C@@H]1CCC[C@H](NCc2cccc(OCC#N)c2)CC1 1657211249 XOCWISCPMLPGCD-MSOLQXFVSA-N 314.473 4.674 30 20 DJED C=C(Cl)CN1CCCN(Cc2ccccc2)c2ccccc21 1657675920 LNXMFQYIYCLFTL-UHFFFAOYSA-N 312.844 4.656 30 20 DJED CCc1cc(Br)ccc1N[C@@H]1CCC[C@@H](C#N)C1 1659434022 APHKTCDNSVKKMN-BXUZGUMPSA-N 307.235 4.506 30 20 DJED C[C@@H]1C(=Nn2c3ccccc3c3ccccc32)CC[C@H]1CC(=O)O 1776112645 FHFCNPPJMVPRJG-KBPBESRZSA-N 320.392 4.519 30 20 DJED Cc1ccc(C(=O)/C=C/c2cc([N+](=O)[O-])ccc2Cl)s1 32531697 WZHUPYABVXWUDG-ZZXKWVIFSA-N 307.758 4.514 30 20 DJED N#C[C@H](C(=O)CCC1CCCC1)c1nc(-c2ccccc2)cs1 41535628 LBHIPGLCVIGHPT-MRXNPFEDSA-N 324.449 4.957 30 20 DJED C#Cc1cccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 59300441 AWYXCYHACPCQKK-INIZCTEOSA-N 321.420 4.506 30 20 DJED CC(C)c1ccc(CSc2nnc(SCC#N)s2)cc1 60384434 IFGKFULNENQYRS-UHFFFAOYSA-N 321.496 4.569 30 20 DJED CCC(CC)CNC(=O)Nc1ccccc1S[C@@H](C)CC#N 66955613 NXHMAIDKCRIQOL-ZDUSSCGKSA-N 319.474 4.639 30 20 DJED CC(C)(C#N)CCCNc1cc(F)ccc1OCC(F)(F)F 152812824 JCJPCHVDCANGPB-UHFFFAOYSA-N 318.314 4.509 30 20 DJED N#CCC[C@@H](NC(=O)c1csc2ccccc12)c1ccccc1 153611021 PLQKBXJVPPKZHJ-QGZVFWFLSA-N 320.417 4.676 30 20 DJED CC(NCc1ccc(C#N)s1)(c1ccccc1)c1ccccc1 176962593 UOIGKOXCMYTMLA-UHFFFAOYSA-N 318.445 4.673 30 20 DJED N#Cc1csc(CNc2cccc(COCc3ccco3)c2)c1 177688402 LUCGPCJGHXHXOL-UHFFFAOYSA-N 324.405 4.542 30 20 DJED C=CCCCC(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C 178980156 NUGSPAYBYHIWCL-UHFFFAOYSA-N 318.417 4.637 30 20 DJED Cc1ccc([C@@H](NCc2ccc(OCC#N)cc2)C2CCC2)cc1 187326969 VFAYXWUTHLLACB-NRFANRHFSA-N 320.436 4.528 30 20 DJED N#Cc1cccc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)c1 255362023 YNKOFYBLYFLEAX-FPLPWBNLSA-N 310.356 4.516 30 20 DJED COc1ccc(Cl)cc1[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 268782840 BHNSMNASAFMOEU-CHWSQXEVSA-N 314.816 4.632 30 20 DJED CC[C@H](N[C@H]1CCCOc2ccccc21)c1ccc(C#N)cc1 278902167 ZJQWJAQKMSVTEG-OALUTQOASA-N 306.409 4.513 30 20 DJED Cc1ccsc1[C@@H](Cc1ccccc1)Nc1ccc(C#N)cn1 301343782 RVKBCWDIGVUSAN-QGZVFWFLSA-N 319.433 4.719 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCCC[C@H]1C 424657458 DYKFUTSJAUTYIG-RBSFLKMASA-N 316.470 4.703 30 20 DJED C[C@H](C(=O)Nc1ccc(F)c(C#N)c1)c1ccc2ccccc2c1 439742173 TVNAQTCKTXDFHG-ZDUSSCGKSA-N 318.351 4.593 30 20 DJED CC1(C#N)CCC(NCC(C)(C)c2ccccc2Cl)CC1 449114028 BRWZSFCQACATFK-UHFFFAOYSA-N 304.865 4.680 30 20 DJED C=CCC1(C(=O)Nc2cnn([C@H](C)CC)c2C2CC2)CCCC1 450481419 AQWNMUCMGOEWEA-CQSZACIVSA-N 315.461 4.807 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1ccc(COCc2ccccc2)cc1 468008957 GYZXBGJTURBODH-OAQYLSRUSA-N 323.436 4.944 30 20 DJED N#Cc1ccccc1CSCc1csc(-c2ccccn2)n1 498109936 KBPHKPCMNPSVIS-UHFFFAOYSA-N 323.446 4.510 30 20 DJED CC(C)CCc1ccc(NC(=O)c2cccc(CC#N)c2)cc1 519874427 OJNFCZKTWLYHGK-UHFFFAOYSA-N 306.409 4.594 30 20 DJED CC[C@H](c1ccccc1)N(CC)C(=O)Nc1cccc(C#N)c1 521763855 AFOWVOMSALFJDE-GOSISDBHSA-N 307.397 4.563 30 20 DJED C=CCCC[C@@H](C)NC(=O)Nc1ccc(-c2nccs2)cc1 538340950 NARGAZGGDZTWPN-CYBMUJFWSA-N 315.442 4.676 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ncc(C2CCCCC2)s1 542034208 ZXZBOCMURFNXRX-UHFFFAOYSA-N 307.463 4.621 30 20 DJED CC[C@@H]1CCCC[C@@H]1c1noc(C[C@@H](CC#N)c2ccccc2)n1 560049933 WUSKPYRITNWXIP-NXHRZFHOSA-N 323.440 4.993 30 20 DJED N#Cc1c(CSc2cccc3cccnc23)cn2ccccc12 590644616 UESMLKGMEHKQMQ-UHFFFAOYSA-N 315.401 4.651 30 20 DJED Cc1cc(Cl)cc(C)c1CNCc1ccc(C#N)c(Cl)c1 619748271 FUPUWHRTPPUQBQ-UHFFFAOYSA-N 319.235 4.772 30 20 DJED C=CCC[C@H](Nc1cccc(CN2CCCC2=O)c1)c1ccco1 671755763 RDNGUWBOIBCYHD-SFHVURJKSA-N 324.424 4.521 30 20 DJED CCCCCC[C@@H](C)CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 727951561 KSYNGXLEEHHPLQ-HUUCEWRRSA-N 311.429 4.736 30 20 DJED Cc1cccc2c1C/C(=C/c1cc(Br)cs1)C2=O 729151375 RVVZXAOBBBCXOO-YHYXMXQVSA-N 319.223 4.641 30 20 DJED Cc1cc(F)ccc1C(=O)/C=C/c1cccc(OCCCC#N)c1 731320607 XUGTYSPSPKBDSB-JXMROGBWSA-N 323.367 4.713 30 20 DJED C=CC[C@H](NC(=O)Nc1cccc2ccccc12)c1ccncc1 734516467 WXFOEEWKJHBWAE-SFHVURJKSA-N 317.392 4.674 30 20 DJED O=C(/C=C/c1cc2cc(F)ccc2o1)c1ccc(F)c(F)c1 741852475 LOFFFKCEEOPTBE-HWKANZROSA-N 302.251 4.746 30 20 DJED COCc1cccc(C=NN[C@@H](C)c2ccc(C(C)C)cc2)c1 743437213 DNEARWHYECYZEO-INIZCTEOSA-N 310.441 4.641 30 20 DJED C[C@@H](NCc1ccc2c(c1)CCC(C)(C)O2)c1cccc(C#N)c1 743495108 ATAMYTMIZSPZJS-OAHLLOKOSA-N 320.436 4.513 30 20 DJED C#CCCCC(=O)Nc1ccccc1Oc1ccccc1Cl 757900630 YHDOQUGGPXXRHD-UHFFFAOYSA-N 313.784 4.874 30 20 DJED O=C(/C=C/c1cnc(C2CCC2)s1)c1cccc(Cl)c1 760263544 GBIXUCPIQRDFNZ-BQYQJAHWSA-N 303.814 4.960 30 20 DJED O=C1/C(=C/c2nccc3ccccc23)CCc2ccc(F)cc21 776193765 UYNCXXLDUSNDFB-RVDMUPIBSA-N 303.336 4.586 30 20 DJED Cc1cc2c(cc1C)C(=O)/C(=C\c1cccnc1Cl)CS2 777471052 YZSQIVQOTKISDF-JYRVWZFOSA-N 315.825 4.724 30 20 DJED Cc1ccc(C)c(C(=O)/C=C\c2cnc(-c3ccco3)s2)c1 789130735 QOLGOPLFYONQCS-FPLPWBNLSA-N 309.390 4.916 30 20 DJED Cc1c(C(=O)/C=C\c2ccsc2Cl)cnn1C(C)(C)C 790227219 CTBNADQQMDSXKJ-WAYWQWQTSA-N 308.834 4.558 30 20 DJED COc1cc(NN=Cc2ccc(C(F)F)cc2)ccc1Cl 794538783 WNXSCKGOBUYRCM-UHFFFAOYSA-N 310.731 4.732 30 20 DJED Fc1c(Cl)cccc1NN=C1CCC[C@H]1c1ccccn1 794903875 RUOIRAWZZZENKE-NSHDSACASA-N 303.768 4.610 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1ccc(C(F)F)cc1 794934044 FVCSFMMHDRLNRR-YFHOEESVSA-N 318.367 4.915 30 20 DJED CC(/C=C\C(=O)c1cc(C)c(C)o1)=C/c1cccc([N+](=O)[O-])c1 799896691 XWAWYAYJODBUPO-JNWHFCKMSA-N 311.337 4.647 30 20 DJED CCCCN(CCCCC(C)(C)C#N)Cc1ccccc1O 801596919 TZLZAPJLNJNKRO-UHFFFAOYSA-N 302.462 4.714 30 20 DJED COc1cccc(C(=O)/C=C\c2cscc2C(F)(F)F)c1 811685486 UBOKIHYXZQNKTD-WAYWQWQTSA-N 312.312 4.672 30 20 DJED Fc1ccc(NN=CC2CCC(C(F)(F)F)CC2)c(F)c1F 814945739 NUMHFVBTYAYTPQ-UHFFFAOYSA-N 324.268 4.870 30 20 DJED CC(C)C[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 835070335 NCAOUAKHMMOATI-OAGGEKHMSA-N 324.449 4.669 30 20 DJED O=C(c1ccc(C2CCCC2)cc1)N(O)Cc1ccc(F)cc1 900094578 QLMACGXCPCIOMI-UHFFFAOYSA-N 313.372 4.515 30 20 DJED Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc(-c2ccccc2)cc1 915654043 RAJNNEJRBOYMDB-SEYXRHQNSA-N 302.377 4.590 30 20 DJED Cc1cc(/C=C/C(=O)c2ccc(O)cc2)cc(C)c1OC(F)F 916134935 YHYPOQFWBSIIDG-FPYGCLRLSA-N 318.319 4.507 30 20 DJED CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 916269087 QNFCLQHUDOHJQD-UHFFFAOYSA-N 324.167 4.738 30 20 DJED Cc1cc(C)c2c(c1)OC/C(=C\c1ccc3ncccc3c1)C2=O 920066094 LJOYCSPUYKWMLI-GZTJUZNOSA-N 315.372 4.510 30 20 DJED CC1(C)CCCC[C@@H]1C(=O)N(c1ccc(C#N)cc1)C1CCC1 1131371126 APCGAMAXWJLNBC-GOSISDBHSA-N 310.441 4.660 30 20 DJED CC(C)(C)c1ccc(C2CCN(c3ccnc(C#N)c3)CC2)cc1 1163340769 INYDFQJFSPLKSS-UHFFFAOYSA-N 319.452 4.635 30 20 DJED CC[C@@H](C)c1ccc([C@@H](Nc2ccc(C#N)nn2)C(C)C)cc1 1184667048 SFRLDZHGSNYKQJ-KUHUBIRLSA-N 308.429 4.671 30 20 DJED N#Cc1ccc(SCc2ccc(CN3CCCCC3)cc2)cc1 1307292080 GEGBDKFPOQRILP-UHFFFAOYSA-N 322.477 4.836 30 20 DJED N#Cc1ccc(C2CCN(CCSc3ccccc3)CC2)cc1 1308113671 GGVNFWTVZWMHLW-UHFFFAOYSA-N 322.477 4.530 30 20 DJED Cc1ccc2cc(CN(C)[C@@H](C)c3cccc(C#N)c3)ccc2n1 1308829674 KUZPJXAZYCPUCG-INIZCTEOSA-N 315.420 4.608 30 20 DJED CCCCCCCCc1nnc(-c2cccc([N+](=O)[O-])c2)o1 1322088884 YNVFFHFNBRIHGA-UHFFFAOYSA-N 303.362 4.548 30 20 DJED CC[C@@H](NCc1cc2cccc(OC)c2o1)c1cccc(C#N)c1 1331984593 QJBQRMTZPKGQLD-GOSISDBHSA-N 320.392 4.554 30 20 DJED CC1(C)CCC[C@@H]1NCc1ccc(-c2ccccc2C#N)cc1 1459956971 ZYAOBKZGJAYWCV-FQEVSTJZSA-N 304.437 4.894 30 20 DJED CC[C@H](C)C[C@H](C)NC(=O)c1sc2ccc(C#N)cc2c1C 1523513097 YIOUODBLGKBRSB-RYUDHWBXSA-N 314.454 4.636 30 20 DJED CC[C@H](C)CC(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@@H](C)CC2 1527164922 QYBKGJWGOKSAIF-SRVKXCTJSA-N 304.459 4.680 30 20 DJED CCC(C)(C)c1ccc(C(=O)Nc2cc(C#N)ccc2F)cc1 1528456746 QXLHSIBUDKSCDT-UHFFFAOYSA-N 310.372 4.637 30 20 DJED C[C@@H]1N(C(=O)c2ccc(Cl)c(C#N)c2)c2ccccc2C1(C)C 1532545973 GOXFPMBBZOVDLQ-LBPRGKRZSA-N 324.811 4.538 30 20 DJED C[C@@H]1CC(C)(C)CC[C@H]1NCc1cc(Cl)ccc1OCC#N 1642812018 GSRZVEQQEYZLJC-CZUORRHYSA-N 320.864 4.547 30 20 DJED CCc1ccc([C@@H]2CCN([C@@H](C)c3ccc(C#N)cc3)C2)cc1 1643247001 SUVYRCFQEPEPLN-HRAATJIYSA-N 304.437 4.671 30 20 DJED Cc1cccc([C@H]2CCCCN2Cc2ccc(C#N)s2)c1C 1644690290 AGCQIBAPWNZCIM-LJQANCHMSA-N 310.466 4.964 30 20 DJED CCCN(CCCC(C)(C)C#N)[C@H]1C[C@@H](OCC)C12CCCC2 1653409181 OGIKMOOJYNKMCY-ZWKOTPCHSA-N 320.521 4.766 30 20 DJED CC1(C)C[C@H](c2ccccc2)N(Cc2ccc(OCC#N)cc2)C1 1653976453 XKSSAPWGXUDNCD-HXUWFJFHSA-N 320.436 4.562 30 20 DJED N#CCC1(CN2CCC[C@@H](Cc3csc4ccccc34)C2)CC1 1658143544 VDDWYMASHBNNTH-INIZCTEOSA-N 324.493 4.850 30 20 DJED N#C[C@H]1CC[C@H](NCC2(c3cccc(Cl)c3)CCCCC2)C1 1659259019 MTVZTWXEIWXQDN-YJBOKZPZSA-N 316.876 4.824 30 20 DJED CC(C)(C)C[C@H]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 1665385740 FKOWQXYKOJQQQN-GFCCVEGCSA-N 319.836 4.502 30 20 DJED CC(C)C[C@@H]1CCCC1=NNc1ccc(Cl)c(C(=O)O)c1 1776034322 AAUUOIGYPVUVQQ-NSHDSACASA-N 308.809 4.652 30 20 DJED CC[C@@H](C)c1ccc(C(=O)/C=C/c2cccc(CC(=O)O)c2)cc1 1776697661 MAKUTZBPNHFFED-CUXKMMBLSA-N 322.404 4.723 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CCCCC1 66955786 YBKSMJUMBKWZTF-CYBMUJFWSA-N 317.458 4.535 30 20 DJED C[C@H](C(=O)Nc1ccc(CC#N)cc1)c1ccc2ccccc2c1 84521189 VTWPQAQZICSXEJ-HNNXBMFYSA-N 314.388 4.648 30 20 DJED C=C(Cl)COc1ccc([C@H](C)N[C@H](C)c2cccnc2)cc1 158569630 PTALIINIOUEGJV-LSDHHAIUSA-N 316.832 4.625 30 20 DJED N#CCCSc1ccccc1NCCCOc1ccccc1 176872427 XKAYNOSPLDZWBJ-UHFFFAOYSA-N 312.438 4.573 30 20 DJED C[C@@H]1CC(C(=O)Nc2ccccc2SCCC#N)C[C@H](C)C1 180320477 MZHOQRKKQHXQOH-YIONKMFJSA-N 316.470 4.703 30 20 DJED C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(C(F)(F)F)cc1 182421131 FVHPJIPYLXFQHU-LLVKDONJSA-N 322.305 4.567 30 20 DJED COc1ccccc1[C@@H](C)Nc1cccc(OCCCC#N)c1 193905746 FERUCGJHAALLAR-OAHLLOKOSA-N 310.397 4.551 30 20 DJED C[C@H](NCCCCC(C)(C)C#N)c1ccccc1OC(F)F 278923137 WTXGTKISMGDUCC-ZDUSSCGKSA-N 310.388 4.659 30 20 DJED C=CCCO[C@@H](C)c1nc(-c2ccc(C(C)(F)F)cc2)no1 289641542 CSNUAAOXPBIMNI-NSHDSACASA-N 308.328 4.502 30 20 DJED Cc1cccc([C@H]2CCCN2c2snc(Cl)c2C#N)c1C 301950491 GUFFSEBBLNDEQW-CQSZACIVSA-N 317.845 4.627 30 20 DJED C=CCCSc1nnc(-c2ccco2)n1C1CCCCC1 303819063 OXZQWHJCZZINTP-UHFFFAOYSA-N 303.431 4.712 30 20 DJED N#Cc1ccc(N[C@H]2CSc3ccccc32)c(C(F)(F)F)c1 316443425 ABUIGDGTKDKMQR-AWEZNQCLSA-N 320.339 4.836 30 20 DJED Cc1noc(C)c1[C@H](C)C/C(O)=N/[C@@H]1CSc2ccccc21 328705185 YPLBEUJPODUNFW-QMTHXVAHSA-N 316.426 4.589 30 20 DJED Cc1nc(C2(/N=C(/O)CC3(C)CCCCC3)CCCCC2)no1 328835996 XJTKTAJINSMTDN-UHFFFAOYSA-N 319.449 4.854 30 20 DJED Cc1noc(C)c1N/C(O)=N/[C@H](C)c1ccc(C(C)C)cc1 330597539 VXTALFGWTXCADJ-LLVKDONJSA-N 301.390 4.502 30 20 DJED Cc1ccccc1C1CC(N[C@@H](CCC#N)c2ccccc2)C1 341358792 SAUROKBUNWKZED-GRERDSQWSA-N 304.437 4.876 30 20 DJED N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCSc3ccc(F)cc31)CC2 353263249 WCISLAQXIDQHDU-ZWKOTPCHSA-N 324.424 4.511 30 20 DJED Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CCC(C)(C)C#N)n1 410311868 JGENRAHSGLEZRO-UHFFFAOYSA-N 323.227 4.500 30 20 DJED CC(C)(C#N)CCC[S@@](=O)c1ccc(-c2ccccc2)cc1 414294367 PZMFDNWRDLFTDX-JOCHJYFZSA-N 311.450 4.791 30 20 DJED CCSc1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 426288701 DLFUJGRZGDFQES-CYBMUJFWSA-N 314.429 4.660 30 20 DJED CC(C)(C#N)CCCN1CCCC[C@@H]1c1ccc(F)cc1F 432010193 ALNHAKCSXRNEJP-QGZVFWFLSA-N 306.400 4.822 30 20 DJED CCc1sc(C(=O)Nc2ccc(CC#N)cc2Cl)cc1C 452647005 PTTZXJNGBVGUOU-UHFFFAOYSA-N 318.829 4.591 30 20 DJED C=C(C)CN(C)C(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1 479212822 HONSQJRMOVDSNN-UHFFFAOYSA-N 315.363 4.588 30 20 DJED N#Cc1cc(Cl)ccc1CN[C@H](c1cccs1)C1CC1 480879671 UAHWAAFHVDZFLG-INIZCTEOSA-N 302.830 4.514 30 20 DJED Cc1ccc(C(C)(C)C)c(OCCCC2(C#N)CCOCC2)c1 499905493 PVOCGNKUSISMAN-UHFFFAOYSA-N 315.457 4.772 30 20 DJED Cc1cc(SCCOc2cccc(C#N)c2)c2ccccc2n1 515721245 HPUOZQISIKRRBS-UHFFFAOYSA-N 320.417 4.586 30 20 DJED C=CCN(C(=O)Nc1ccc(SC2CCCC2)cc1)C1CC1 537879378 VVDFSKSJVWVHBC-UHFFFAOYSA-N 316.470 4.904 30 20 DJED C=CCC[C@H](NCCCCN1CCCC[C@@H]1C)c1ccco1 552225383 FYWHUKRQAXRIPO-ROUUACIJSA-N 304.478 4.531 30 20 DJED CC(C)c1cccc(-c2ccc(C(=O)N(C3CC3)[C@H](C)C#N)o2)c1 598134758 YGTMGJIJQQBLSU-CQSZACIVSA-N 322.408 4.587 30 20 DJED C[C@@H](NCc1cc(C(F)(F)F)ccc1F)c1cccc(C#N)c1 610344864 JOTOWZWQOHPWFR-LLVKDONJSA-N 322.305 4.567 30 20 DJED CC(C)n1ncc2cc(N[C@@H](C)c3cccc(C#N)c3)ccc21 611483106 VYNJKGSOTUQKGJ-AWEZNQCLSA-N 304.397 4.662 30 20 DJED C=CCC[C@H](N[C@H](C)c1nccn1-c1ccccc1)c1ccco1 672617162 MYYHBUIBNIVRSG-AEFFLSMTSA-N 321.424 4.823 30 20 DJED COCc1cccc(/C=C\C(=O)c2ccc(OC(C)C)cc2)c1 742432307 VTPMUNBOUHJGOY-GHXNOFRVSA-N 310.393 4.516 30 20 DJED CCCCC/C(C=NN=C(C)c1cnccn1)=C/c1ccccc1 745204193 WXHAZDHUSFGATE-OKOQUYCUSA-N 320.440 4.935 30 20 DJED Cc1ccc(/C=C\C(=O)c2coc3ccccc23)cc1[N+](=O)[O-] 747704537 BYHBLTXCTIVSGR-HJWRWDBZSA-N 307.305 4.546 30 20 DJED O=C(/C=C\c1cc(F)c(F)c(F)c1)c1coc2ccccc12 747706477 WVLIGPIAKABLIC-WAYWQWQTSA-N 302.251 4.746 30 20 DJED C[C@@H]1C[C@@H]1c1ccc(C=NOc2ccccc2C(F)(F)F)o1 754712276 JEDVETFCMCPGBP-PWSUYJOCSA-N 309.287 4.835 30 20 DJED FC(F)(F)C1CCC(C=NNCCCc2ccccc2)CC1 767379439 XYEGCPYCXCOUHG-UHFFFAOYSA-N 312.379 4.563 30 20 DJED COc1ccsc1C(=O)/C=C/c1cccc(C)c1OC(F)F 769746891 QCCSYVFOUZSFHF-VOTSOKGWSA-N 324.348 4.563 30 20 DJED CCC(=NNc1nccnc1C(C)C)c1c(F)cccc1Cl 773076882 BHEDIALKZMQWIX-UHFFFAOYSA-N 320.799 4.619 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c(Cl)c2)s1 774122179 ZAJJHXLTUQWIOG-XQRVVYSFSA-N 307.758 4.514 30 20 DJED C=CC[C@H](C(=O)O[C@@H](C)c1nc2ccccc2o1)c1ccccc1 777771364 TWKNGZBGLCJDCB-HOCLYGCPSA-N 321.376 4.792 30 20 DJED COc1ccc(C(=O)/C=C/c2csc3ccccc23)cc1F 810232845 CJBXUTGJXAEBSU-SOFGYWHQSA-N 312.365 4.945 30 20 DJED C#C[C@@H](NCc1ccc(C(F)F)cc1)c1ccc(Cl)cc1 811516912 XYIYNUAHDYNXMD-MRXNPFEDSA-N 305.755 4.742 30 20 DJED Cc1ccc(C)c(NC(=S)N(C)[C@@H](C)c2cccc(C#N)c2)c1 819028767 QLYFYSWUEZAYJR-HNNXBMFYSA-N 323.465 4.565 30 20 DJED C[C@@H](CC(C)(C)C#N)N[C@H](CC(F)(F)F)c1ccc(F)cc1 925672906 KCRGZOAPXBRDSW-SMDDNHRTSA-N 316.342 4.737 30 20 DJED C[C@H]1CCN(c2c(C#N)cnc3c(Cl)cccc23)CC1(C)C 1163019105 JTHAYPYWJJVBKE-LBPRGKRZSA-N 313.832 4.632 30 20 DJED Cc1cc(C#N)ccc1CN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 1191244876 OHZLIFCLYCHNHJ-VBKZILBWSA-N 308.400 4.589 30 20 DJED C[C@@H](CCC#N)CN[C@H](c1ccc(F)cc1)C1CCCCC1 1207143363 VOQHYXNWOVBUSV-KXBFYZLASA-N 302.437 4.977 30 20 DJED Cc1cccc(CN(Cc2ccc(F)c(C#N)c2)CC(C)C)c1 1307432440 QGRYODQQMADJPB-UHFFFAOYSA-N 310.416 4.664 30 20 DJED C[C@@H]1C[C@H](NCc2cccc(F)c2C#N)C[C@H](c2ccccc2)C1 1308816371 QYWIZTHSSMPRDH-IPELMVKDSA-N 322.427 4.759 30 20 DJED C[C@H](NCc1ccc(Cl)cc1C#N)c1ccc(Cl)c(F)c1 1321395347 WTWPUWDZBWEJAB-JTQLQIEISA-N 323.198 4.855 30 20 DJED C=CCC(CC=C)c1nnc(-c2ccc(Cl)cc2OC)o1 1322305270 DCPDOCUCYIZHHP-UHFFFAOYSA-N 304.777 4.634 30 20 DJED CSc1ccc2c(c1)[C@H](Nc1ccc(OCC#N)cc1)CCC2 1326189962 RCLVKADGMOATBM-LJQANCHMSA-N 324.449 4.800 30 20 DJED CC(C)(C)c1ccccc1C(=O)Nc1ccc(Cl)c(C#N)c1 1352800192 VYENZZUDLBVBEE-UHFFFAOYSA-N 312.800 4.761 30 20 DJED CCC(C#N)(CC)C(=O)O[C@@H](C)c1ccc(C(F)(F)F)cc1 1458039396 GPKNRZFNTUJWJN-NSHDSACASA-N 313.319 4.640 30 20 DJED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)O[C@H]1CCC[C@H](C#N)C1 1525049191 RMYDFROCQAMBGB-TWMKSMIVSA-N 311.425 4.602 30 20 DJED Cc1c(C#N)cccc1C(=O)N(c1ccccc1)C1CCCCC1 1526481291 MXRSHAOBKCTFMW-UHFFFAOYSA-N 318.420 4.846 30 20 DJED Cc1cc(N2CCCCC[C@H]2/C=C/c2ccccc2)ncc1C#N 1559161899 PMKNJTSNDOTJSL-SGWGQVFISA-N 317.436 4.724 30 20 DJED C[C@H](CCc1cccc(C(F)(F)F)c1)NCC(C)(C)CC#N 1560879025 MVTVUBWNUYRBFF-CYBMUJFWSA-N 312.379 4.556 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)C2(c3cccs3)CCCCC2)C1 1584703414 QXLAXNPYUBQZCC-CABCVRRESA-N 317.454 4.576 30 20 DJED Cc1ccc([C@@H]2CCCCCN2Cc2ccc(F)c(C#N)c2)o1 1641850938 DAKPIFYSJXMDCI-SFHVURJKSA-N 312.388 4.716 30 20 DJED Cc1ccc2c(c1)O[C@H](C)CN2Cc1ccccc1C(C)(C)C#N 1644766531 CXXUILGLJDCGPT-MRXNPFEDSA-N 320.436 4.584 30 20 DJED CC[C@H](C)C[C@H](C)Nc1cc(C)c(C#N)c2nc3ccccc3n12 1651561706 BIXOCONXPQIDLT-ZFWWWQNUSA-N 320.440 4.904 30 20 DJED Cc1c(C#N)c(SC[C@@H]2CCCC[C@@H]2C)nc2c1CCC2 1656127659 PVPZMHNPZXLVBT-JSGCOSHPSA-N 300.471 4.669 30 20 DJED COc1cc(CN2CCCc3cc(C(C)C)ccc32)ccc1C#N 1664222055 NCNHQBVJIAPTDI-UHFFFAOYSA-N 320.436 4.643 30 20 DJED Cc1cc(C#N)cc(NC(=O)N2CC[C@H](C(C)(C)C)C[C@@H]2C)c1 1678413226 MIMQRWTXPZPCDU-HOCLYGCPSA-N 313.445 4.545 30 20 DJED CC(C)Sc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1 103345380 MLSARUIGHDYIPV-HNNXBMFYSA-N 310.466 4.910 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 124809504 FGAVWLOSTQGGTD-KRWDZBQOSA-N 303.833 4.772 30 20 DJED CC(C)(C#N)CCCNc1cccc(C(=O)c2ccccc2)c1 133728987 FGRUAFOPABMCSX-UHFFFAOYSA-N 306.409 4.659 30 20 DJED C[C@@H](NCc1ccc(Cl)cc1Cl)c1cccc(C#N)c1 174430978 IYQXOQMAPUKRCR-LLVKDONJSA-N 305.208 4.716 30 20 DJED C[C@@H](CC(=O)Nc1ccccc1O[C@H](C)C#N)C1CCCCC1 182103209 LRDLRPZIDWNEGF-LSDHHAIUSA-N 314.429 4.522 30 20 DJED CSc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)cc1 281620621 NSKBHCOJEDPXJI-OLZOCXBDSA-N 314.429 4.831 30 20 DJED O/C(=N/Cc1nc2ccccc2[nH]1)[C@@H]1CCC[C@@H]2CCCC[C@H]21 329019055 RSTFSJQUSDOHKY-RRFJBIMHSA-N 311.429 4.626 30 20 DJED C[C@H](/N=C(/O)[C@H]1CC12CCCC2)c1nc(C2CCCCC2)no1 329983360 BCNBRBDXPKVIRW-GXTWGEPZSA-N 317.433 4.715 30 20 DJED Cc1oc(C(C)C)cc1/C(O)=N/[C@@H](CC(=N)O)C1CCCCC1 330609973 MULBQHQNQTVAOX-HNNXBMFYSA-N 320.433 4.890 30 20 DJED CCC1CCC(N(C)C(O)=Nc2cnn([C@H](C)CC)c2C)CC1 331160753 WXEIJLBGFNPGKP-IUDNXUCKSA-N 320.481 4.609 30 20 DJED Cc1nc(-c2cc([C@@H](C)NCCCCC#N)cs2)cs1 361112672 IWERQCSVBVUQRF-LLVKDONJSA-N 305.472 4.525 30 20 DJED C=C(C)[C@H](NCc1oc(CCC)nc1C)c1ccc(F)c(F)c1 428421437 KEFJCQGPLJQXBU-SFHVURJKSA-N 320.383 4.621 30 20 DJED N#Cc1ccc(CN2CCC[C@@H]2c2cccs2)c(Cl)c1 439441120 PBMNDNKUTMJTQB-OAHLLOKOSA-N 302.830 4.610 30 20 DJED C=CCC[C@@H](NC(=O)c1ccco1)c1ccc(C(F)(F)F)cc1 441542433 MLIKSGCPLBOGDT-CQSZACIVSA-N 323.314 4.736 30 20 DJED N#CC1(CSc2nc(-c3ccco3)nc3ccccc23)CCC1 450781477 RUSFRTHTCALWOI-UHFFFAOYSA-N 321.405 4.676 30 20 DJED CC(C)(CCC#N)CNCC(C)(C)CCCc1ccccc1 462742198 HMYZFZOQYFTXTJ-UHFFFAOYSA-N 300.490 4.955 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCCC1CCCC1 463505740 FSHQUPBKHOQSMD-UHFFFAOYSA-N 312.457 4.656 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 468115208 LVVIABOYIHDHPX-LJQANCHMSA-N 310.397 4.723 30 20 DJED CCC(CC)CC(=O)N(Cc1ccco1)c1ccccc1C#N 469132622 JCBSFDFQNJZQCC-UHFFFAOYSA-N 310.397 4.511 30 20 DJED CC[C@H]1CN(C(=O)C2(C#N)CCCCC2)CC[C@@H]1c1ccccc1 470193633 KPSBORLTTPKVCU-HKUYNNGSSA-N 324.468 4.503 30 20 DJED C=C1CCN(C(=O)c2cc(SC)c(Cl)cc2Cl)CC1 471302847 CJAPYQWFPQYFDK-UHFFFAOYSA-N 316.253 4.508 30 20 DJED CCCn1c(-c2ccsc2Cl)nc2cc(C#N)ccc21 478214949 WIOWHJFRQGWZJA-UHFFFAOYSA-N 301.802 4.700 30 20 DJED CC[C@H](CN(CC)C(=O)Nc1ccc(C#N)cc1)c1ccccc1 479723400 TYQCKXICAASJBY-QGZVFWFLSA-N 321.424 4.606 30 20 DJED C[C@H](c1ccc(F)cc1)N(C)Cc1ccccc1C(C)(C)C#N 487402459 QYDSBVGEROQUOO-OAHLLOKOSA-N 310.416 4.820 30 20 DJED CN(Cc1cccc(C#N)c1)Cc1c(Cl)oc2ccccc12 507204225 RBMLKZYOHCKIMD-UHFFFAOYSA-N 310.784 4.590 30 20 DJED C[C@H](c1ccc(C#N)cc1)N(C)Cc1c(F)cccc1Cl 507209421 HVSMHLGIASAQRE-GFCCVEGCSA-N 302.780 4.544 30 20 DJED C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)c1ccccc1Cl 512176007 ADEQBQSAHCKNCC-AWEZNQCLSA-N 319.832 4.565 30 20 DJED Cc1nc(C)c(C#N)c(S[C@H](C)c2cccc3ccccc23)n1 518482168 YYTZICFXKNYBFE-CYBMUJFWSA-N 319.433 4.972 30 20 DJED CCCOc1ccc(CNc2cc(C#N)c3ccccc3n2)cc1 522936320 ZGTQSMBFAJMBFD-UHFFFAOYSA-N 317.392 4.507 30 20 DJED C[C@@H]1C[C@H]1[C@@H](NCCCC(C)(C)C#N)c1ccc(Cl)cc1 540522231 XWGHTSUXMNTFII-XYPHTWIQSA-N 304.865 4.957 30 20 DJED C[C@@](C#N)(NC(=O)c1ccc(C2CCC2)cc1)C1CCCCC1 571468375 GBXHSDWEJMJXRR-FQEVSTJZSA-N 310.441 4.546 30 20 DJED C=C(C)CCc1noc([C@@H](C)Oc2cccc3ccccc23)n1 579526300 PDZJPSMXXUJCIC-CQSZACIVSA-N 308.381 4.872 30 20 DJED N#CC1(CC(=O)N2CCCCC[C@H]2c2ccco2)CCCCC1 597275717 KJPJWKBCLXFHPX-INIZCTEOSA-N 314.429 4.587 30 20 DJED CC(C)(C)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604460642 MYJJHYNUSMWJPB-UHFFFAOYSA-N 323.396 4.518 30 20 DJED CCCCN(C(=O)c1sccc1C#N)[C@@H](C)c1ccc(C)o1 604523156 HRKJKLFOAQDCET-ZDUSSCGKSA-N 316.426 4.525 30 20 DJED Cc1ccccc1-c1noc(CSCCCC(C)(C)C#N)n1 610797761 JFJIOKUDYMGHNR-UHFFFAOYSA-N 315.442 4.608 30 20 DJED CCC(=NNc1ncnc2c1oc1ccccc12)c1cccs1 725844275 QUZVCBHTEKPRLW-UHFFFAOYSA-N 322.393 4.664 30 20 DJED C#Cc1cccc(N(C(=O)C[C@H](C)c2ccc(F)cc2)C(C)C)c1 728245604 FYJJCQPGTPCKSR-INIZCTEOSA-N 323.411 4.742 30 20 DJED CC[C@@H](c1ccccc1)N(CC)Cc1ccc(OCC#N)cc1 731211772 AGGYAMRGJRSZFH-FQEVSTJZSA-N 308.425 4.562 30 20 DJED C#CCCOc1ccc(CN[C@](C)(CC)c2ccccc2)cc1 733327702 CEDODJMPEMKJDB-OAQYLSRUSA-N 307.437 4.504 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(C)cc2)c(OC(F)F)c1 734095865 IKRHQRSMPMHXDG-CSKARUKUSA-N 318.319 4.501 30 20 DJED C=CC[C@H](NC(=O)C1CCC(CCCC)CC1)c1ccncc1 734235773 NMCHKTMTSXFXTG-KVZIAJEVSA-N 314.473 4.812 30 20 DJED O=C(/C=C/c1cc(F)c(F)c(F)c1)c1coc2ccccc12 747706472 WVLIGPIAKABLIC-AATRIKPKSA-N 302.251 4.746 30 20 DJED CCCCCCCCC(=O)N(C)C[C@@H]1OCCc2ccccc21 750809513 BQJMTXRRBJXEII-IBGZPJMESA-N 317.473 4.509 30 20 DJED CCCn1nc(C)c(/C=C2/C(=O)c3cccc(C)c3[C@H]2C)c1C 766696891 XKMGMMWBZKLVLN-HNEYUBDGSA-N 308.425 4.602 30 20 DJED C#CC[C@@H](N[C@@H]1CCSc2ccc(F)cc21)c1ccccc1 773113628 DIPHKOFMHVKZGV-QZTJIDSGSA-N 311.425 4.717 30 20 DJED C#CC[C@H](N[C@H](C)c1ccc(OC)c(Cl)c1)c1ccccc1 773116394 RMSILIWKIFDHOF-KDOFPFPSSA-N 313.828 4.764 30 20 DJED CC(CCc1n[nH]c2ccccc12)=NNc1ccccc1Cl 782218551 HUUNXHKFZWHJOY-UHFFFAOYSA-N 312.804 4.637 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc(C(F)F)cc2)c(F)c1 794931896 RJURMTMFLUDDPX-WTKPLQERSA-N 306.283 4.668 30 20 DJED C[C@@H]1CCC[C@@H](CC(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)C1 797569277 ACTIKDJYFNSVOL-MCIONIFRSA-N 318.486 4.833 30 20 DJED N#CCCCCCC(=O)OC1c2ccccc2Oc2ccccc21 805867200 ZXFSQWIJUSSWDB-UHFFFAOYSA-N 321.376 4.899 30 20 DJED C[C@H]1CC[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)CC1 845447185 AWJSFFCWECUPJW-FVQBIDKESA-N 324.449 4.813 30 20 DJED Cc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 916136401 LZSPNBCGRJICQS-DHZHZOJOSA-N 317.344 4.953 30 20 DJED C[C@@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C1CC1 921010793 XYODYBVKWKAGMY-AWEZNQCLSA-N 320.392 4.725 30 20 DJED CCC[C@@]1(C)CCCN(c2c(Br)cccc2C#N)C1 1162631953 YMHSJCLXTPDUQO-INIZCTEOSA-N 321.262 4.727 30 20 DJED CSc1ccc([C@@H](C)Nc2nc(C#N)c(Cl)s2)cc1 1163133353 RDJYWQILUCJGAA-MRVPVSSYSA-N 309.847 4.563 30 20 DJED Cc1ccccc1[C@H]1CCCN1Cc1ccc(C#N)cc1Cl 1238082829 NVVFOBKTKBIZBE-LJQANCHMSA-N 310.828 4.857 30 20 DJED Cc1cc(NCc2ccc(C#N)cc2F)cc(C(F)(F)F)c1 1308855482 QKONGQPYIGODDI-UHFFFAOYSA-N 308.278 4.637 30 20 DJED COc1cc(O)ccc1/C=C/C(=O)c1cc2ccccc2s1 1325943951 OMWAVCBMUIJPAN-VQHVLOKHSA-N 310.374 4.512 30 20 DJED CCCC[C@H](C(=O)N(Cc1ccc(C#N)cc1)C(C)C)C(C)C 1349998311 ARZWFZFFNFSHBO-IBGZPJMESA-N 314.473 4.758 30 20 DJED CCN(C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1)[C@@H](C)c1ccc(C#N)cc1 1354057767 BLMRVXOWGDBGIC-IUVQAAGXSA-N 312.457 4.540 30 20 DJED CC[C@@H](OC(=O)c1sccc1C#N)c1ccc(Cl)cc1F 1358426724 XIERXQSFHDABDS-CYBMUJFWSA-N 323.776 4.720 30 20 DJED Cc1ccccc1[C@H](NC(=O)CC1(C#N)CCCCC1)C(C)C 1456224411 KZWUKYMWZGZIJM-LJQANCHMSA-N 312.457 4.673 30 20 DJED Cc1nsc(N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)c1C#N 1458438599 DJEGSFZWYAXRFY-GXTWGEPZSA-N 317.845 4.725 30 20 DJED CCN(CCCc1ccccc1C)[C@@H](C)c1ccc(C#N)cc1 1459354608 USAJOXGIXCIOQC-SFHVURJKSA-N 306.453 4.882 30 20 DJED Cc1cccc([C@H](NCc2ccc(F)cc2C#N)C(C)(C)C)c1 1459851739 OLILTXHWGYLOLA-IBGZPJMESA-N 310.416 4.883 30 20 DJED N#Cc1ccc(Nc2cccc(CSC3CCCC3)c2)nc1 1472701896 IHMRCLNWILMOER-UHFFFAOYSA-N 309.438 4.873 30 20 DJED C[C@@H](CSCc1cn2ccccc2c1C#N)c1ccccc1 1559408833 QRMSWFCUBZTTCR-HNNXBMFYSA-N 306.434 4.848 30 20 DJED CC[C@@](C)(CNc1ccc(Oc2ccccc2)c(C#N)c1)OC 1560779454 OKFISXVVIFPGOE-IBGZPJMESA-N 310.397 4.578 30 20 DJED CC(C)(CCCc1ccccc1)C(=O)Nc1cc(C#N)ccc1F 1583534343 JEOIOWMYCDKTNJ-UHFFFAOYSA-N 324.399 4.685 30 20 DJED N#CC[C@H]1CCCN(Cc2ccc(Oc3ccccc3)c(F)c2)C1 1620412999 JIHGBCKTWIJRJY-MRXNPFEDSA-N 324.399 4.744 30 20 DJED CC(C)CN(Cc1ccccn1)Cc1ccccc1C(C)(C)C#N 1620601922 OVNYOGVBVGFXMK-UHFFFAOYSA-N 321.468 4.541 30 20 DJED C[C@@H](c1ccccc1F)N(C)c1nc(C(C)(C)C)ccc1C#N 1639302564 XDMVHCYKAHDBBV-ZDUSSCGKSA-N 311.404 4.587 30 20 DJED N#Cc1cccc(C#N)c1NCC1CCC(c2ccccc2)CC1 1639453617 LRTCRNSWUFWUSR-UHFFFAOYSA-N 315.420 4.816 30 20 DJED N#C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C1CC1 1640735299 OKVCIYZNGYZMDK-QGZVFWFLSA-N 317.417 4.691 30 20 DJED C[C@@H]1CCC[C@H](COc2cc(C#N)ccc2Br)C1 1644150954 VUTUYIHKEVPYLQ-YPMHNXCESA-N 308.219 4.526 30 20 DJED Cc1nc(C#N)cc(N2CCCC[C@@H]2c2ccc(C(C)C)cc2)n1 1650934344 MOCUBIQQZPLBBP-LJQANCHMSA-N 320.440 4.512 30 20 DJED Cc1ccnc(N[C@@H](C)c2cccc(Cl)c2Cl)c1C#N 1651550367 ZZAMDMXMIFBWNM-JTQLQIEISA-N 306.196 4.742 30 20 DJED C[C@H](CCC#N)CN(CCc1ccccc1)Cc1ccccc1 1651875382 VGTFBFNVRCERFW-LJQANCHMSA-N 306.453 4.671 30 20 DJED N#CCc1ccc(CN2CCC[C@H]2CCCc2ccccc2)cc1 1652899955 MYDRHBOCHIZVNN-JOCHJYFZSA-N 318.464 4.740 30 20 DJED N#C[C@H]1CCCN(Cc2cccc(-c3ccc(Cl)cc3)c2)C1 1653091414 YRHQQISHIMJCDA-MRXNPFEDSA-N 310.828 4.743 30 20 DJED CCCN(Cc1ccc(F)c(C#N)c1)[C@@H]1CCc2ccccc21 1653226334 YCKRZHNMGVZQBC-HXUWFJFHSA-N 308.400 4.597 30 20 DJED Cc1cc(C#N)ccc1CN[C@@H]1CCCC[C@H]1Cc1ccccc1 1658355265 MAYJWNMTTHEZGP-RBBKRZOGSA-N 318.464 4.758 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@](C)(c2ccccc2)CC1 1658617146 XHWWUIKBZFYFRK-QFIPXVFZSA-N 318.464 4.811 30 20 DJED C[C@@H](CC(C)(C)C#N)N[C@H](C)c1cccc(OC(F)(F)F)c1 1658852448 IGQJJSZIKYYRHU-NWDGAFQWSA-N 314.351 4.564 30 20 DJED CCOC(=O)Nc1ccc(N[C@H](CC)C2CCCC2)cc1C#N 1659415679 ZFMOEMGCDWVJKO-MRXNPFEDSA-N 315.417 4.507 30 20 DJED CC(=O)Nc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1 6339435 SLUNKCRSQONYAL-MDWZMJQESA-N 315.372 4.694 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1cccc(Cl)c1 24535741 CISHXBGPEOBSFU-UHFFFAOYSA-N 306.818 4.622 30 20 DJED CC(C)(C)[C@@H](NCc1ccc(C#N)cc1F)c1ccc(F)cc1 53644115 RNMPRHNPBIOWGN-SFHVURJKSA-N 314.379 4.713 30 20 DJED Cc1nn(-c2ccccc2)c(C)c1N[C@H](C)c1ccc(C#N)cc1 118443165 RFBIDAQFUVTIFU-CQSZACIVSA-N 316.408 4.534 30 20 DJED CCc1ccccc1NCc1ccc(OC)c(OCCCC#N)c1 155355604 BAEQHFSBAFPWIJ-UHFFFAOYSA-N 324.424 4.552 30 20 DJED C[C@@H](Nc1ccc(F)cc1OCC#N)c1cccc(Cl)c1 155490326 VOOSRHLNAMNYOM-LLVKDONJSA-N 304.752 4.555 30 20 DJED CCC[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1 171562824 ZZZYDBXBQIRFNB-OXJNMPFZSA-N 308.425 4.608 30 20 DJED CC(C)c1ccccc1NC(=O)[C@@H](C)Sc1cccc(C#N)c1 177104452 ZGBGVOLFJPWNMQ-CQSZACIVSA-N 324.449 4.801 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1ncc(C(C)C)s1 192396689 CMTYBPAOHWVBEV-UHFFFAOYSA-N 321.471 4.548 30 20 DJED Clc1ccccc1C=NNc1nc(-c2ccccc2)cs1 254381663 UZAXZVMOHUSLBC-UHFFFAOYSA-N 313.813 4.910 30 20 DJED O=C(/C=C\c1cccnc1Cl)c1cc(Cl)sc1Cl 255765760 BKEKFKGFADBBQA-ARJAWSKDSA-N 318.612 4.999 30 20 DJED CC(=O)c1ccc(C#N)c(NCc2oc3ccc(F)cc3c2C)c1 302135737 ZYPZOFIPZFNJRH-UHFFFAOYSA-N 322.339 4.567 30 20 DJED C[C@H]1CCC[C@@H](COc2cc(Br)ccc2C#N)C1 302469858 ZIMWIRAVWZMQRD-NWDGAFQWSA-N 308.219 4.526 30 20 DJED CC(O)=Nc1ncccc1N=C(O)[C@@H]1CCC[C@H]2CCCC[C@H]21 329104330 NYULVMJKOJUUQC-RBSFLKMASA-N 315.417 4.884 30 20 DJED CC(C)c1ccc(N/C(O)=N/[C@@H]2CCC[C@@H]2C#N)c(C(C)C)c1 330900299 QMOOHHKHVFXTSN-NVXWUHKLSA-N 313.445 4.952 30 20 DJED C=C[C@@H]1CCCCN1C(=O)c1cc2c(ccc3ccccc32)[nH]1 428036481 IARWDBFDSFIHJC-OAHLLOKOSA-N 304.393 4.502 30 20 DJED C=CC(C)(C)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 448646889 DRCFPIDUFRTQFY-LBPRGKRZSA-N 314.454 4.508 30 20 DJED CC[C@H](NC1CCC(CSC)CC1)c1ccc(C#N)cc1 453268802 KTZBHFKXBKYMRR-VJFUWPCTSA-N 302.487 4.521 30 20 DJED C=C[C@H](C)NC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 465263036 JMZYDKOFDPQGKW-GJZGRUSLSA-N 310.397 4.523 30 20 DJED CCCN(CCCSCC#N)[C@H](C)c1cc2ccccc2o1 466721306 UFHXSGKCQMMDQW-OAHLLOKOSA-N 316.470 4.853 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCCC1(C)C 476510377 CXZLAHNRLDBLTE-UONOGXRCSA-N 316.470 4.846 30 20 DJED C=CCOc1ccccc1CN[C@@H](C)c1ccc(CC)s1 482871336 QZVRXGFNTKORFK-AWEZNQCLSA-N 301.455 4.726 30 20 DJED Cc1ccccc1[C@@H](NCc1cccc(C#N)c1)C1CCCC1 494918413 AMFPIXONFCBGQS-NRFANRHFSA-N 304.437 4.888 30 20 DJED Cc1cccc(-c2ccc(CNCc3ccc(C#N)s3)cc2)c1 500759892 ZXIQOTZTIHZMBH-UHFFFAOYSA-N 318.445 4.885 30 20 DJED CCC[C@@H](CC)NC(=O)c1ccccc1-c1ccccc1C#N 521538625 XVCTZNDJQBBNOG-MRXNPFEDSA-N 306.409 4.534 30 20 DJED Cc1cccc([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCC3)c1 523512600 IKAKIJBDZMPYSY-CYBMUJFWSA-N 324.449 4.549 30 20 DJED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Oc2ccccc2)c(F)c1 549927606 BRDDCENVGXIKMV-ZMSDIMECSA-N 324.399 4.961 30 20 DJED C=CCC[C@H](NCCc1ccc(F)c(F)c1F)c1ccco1 552068383 UWWWFYIJGHYGPP-AWEZNQCLSA-N 309.331 4.537 30 20 DJED CC(C)c1ccc(/C=C\CC(=O)NCC(C)(C)CCC#N)cc1 554792187 LNAWEXBRPPYACA-ALCCZGGFSA-N 312.457 4.659 30 20 DJED Cc1nnc(SCc2cc(Cl)cc(Cl)c2)c(C#N)c1C 564615409 WORBLQAZFLHQTA-UHFFFAOYSA-N 324.236 4.564 30 20 DJED CC[C@H](c1cccc(OC)c1)N(C)CCCCC(C)(C)C#N 580672882 QDEOPCDJBJGDHX-GOSISDBHSA-N 302.462 4.798 30 20 DJED N#Cc1cccc(/C=C/c2nc(-c3cccc4ccccc34)no2)c1 609475872 NPSLQMKJHAPHAB-VAWYXSNFSA-N 323.355 4.932 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CCC(c2ccccc2F)CC1 609895342 MXOSPYZEACQWMU-OAHLLOKOSA-N 308.400 4.638 30 20 DJED N#Cc1ccc(SCc2cc(-c3ccccc3)on2)c(F)c1 610218640 AEOSZMRBQZAIGX-UHFFFAOYSA-N 310.353 4.645 30 20 DJED CC1(C)C[C@H](N[C@@H]2CCc3cc(C#N)ccc32)c2ccccc21 618804701 CFABDDFEFXHGPO-UXHICEINSA-N 302.421 4.558 30 20 DJED C#Cc1cccc(N(Cc2cccs2)C(=O)C[C@H]2C=CCC2)c1 728181676 WAUQCYDHXQLSDH-KRWDZBQOSA-N 321.445 4.619 30 20 DJED CCC/C=C\C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 731345464 WTXSAPJHFRXXIM-YWEYNIOJSA-N 306.365 4.645 30 20 DJED Cc1ccsc1/C=C1/CCOc2c(Cl)cccc2C1=O 733749140 ROOPSWHILYYLQM-LUAWRHEFSA-N 304.798 4.759 30 20 DJED COc1ccc(Cl)cc1C(=O)/C=C/c1nccc2ccccc12 740765067 OPNCNZMBCKTXDG-BQYQJAHWSA-N 323.779 4.793 30 20 DJED CCCCCCCCC(=O)N1C[C@@H](C)OC[C@H]1c1ccccc1 742972212 UREHUFRJGYDORZ-MJGOQNOKSA-N 317.473 4.726 30 20 DJED CC#CCCCC(=O)OCc1nc2ccccc2c2ccccc12 767669993 BWUGNUXJYGFZGB-UHFFFAOYSA-N 317.388 4.625 30 20 DJED C#Cc1cccc(NC(=S)Nc2cc(SC)ccc2C)c1 776198188 IGDHQEOZOMRGPI-UHFFFAOYSA-N 312.463 4.507 30 20 DJED CCCOc1ccc(C(=O)/C=C\c2scnc2C2CC2)cc1 782304549 CMYWULFPXJSMRH-KTKRTIGZSA-N 313.422 4.705 30 20 DJED CSc1ccc(C(=O)/C=C/c2scnc2C2CC2)cc1 782313102 MQLSVAOGPCDGMD-CMDGGOBGSA-N 301.436 4.639 30 20 DJED O=C1/C(=C\c2ccc3cnccc3c2)CSc2c(F)cccc21 782321633 BRUOLWJYICOJTD-DHDCSXOGSA-N 321.376 4.746 30 20 DJED C[C@@H](C#N)Oc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1 784666173 UDUFUESOECTKFA-NSHDSACASA-N 321.207 4.896 30 20 DJED CC(=NNc1nc2ccccc2cc1C)c1c(C)cc(C)cc1O 799883605 JCKUMZBXMYMWRW-UHFFFAOYSA-N 319.408 4.702 30 20 DJED COc1ccc2cc([C@@H](C)SCCO[C@H](C)C#N)ccc2c1 802750731 CFMXEWKAIGHQGM-ZIAGYGMSSA-N 315.438 4.571 30 20 DJED C#Cc1ccc(CN[C@@H](C)c2oc3ccc(OC)cc3c2C)cc1 809615767 KXWIDRFLHOHFPS-HNNXBMFYSA-N 319.404 4.582 30 20 DJED C=CCC(F)(F)C(=O)N(CC)[C@H](C)c1cc2ccccc2o1 815099788 MGKASGZAORXXQV-GFCCVEGCSA-N 307.340 4.554 30 20 DJED CCOc1ccc(SCc2cn3ccccc3c2C#N)cc1 824701849 CTSRMAVQVWDOLS-UHFFFAOYSA-N 308.406 4.502 30 20 DJED CCOc1ccccc1/C=C/C(=O)c1cc2cccc(OC)c2o1 916130382 RYKRYMQFQCVGAU-VAWYXSNFSA-N 322.360 4.736 30 20 DJED O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1cc(F)ccc1F 916133301 DFBZTTKXJWELJD-FPYGCLRLSA-N 312.237 4.880 30 20 DJED CC(=NNc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1Cl 916245129 WTDZPDRUYQIUJD-UHFFFAOYSA-N 324.167 4.738 30 20 DJED C[C@H]1CCCCC1=NNc1ncc(C(F)(F)F)cc1Cl 916286683 OHCVLJNWVTUBOI-QMMMGPOBSA-N 305.731 4.732 30 20 DJED CCOc1ccccc1C(C)=NNc1ncc(Cl)cc1Cl 916316676 HHDBDWXEDLDTHN-UHFFFAOYSA-N 324.211 4.623 30 20 DJED CC(C)(C)c1ccc(C#N)c(N[C@H](c2ccccc2)C2CC2)n1 1161958099 IXIOHPXHIJDEKK-GOSISDBHSA-N 305.425 4.814 30 20 DJED Cc1c(Cl)cnc(N(C)C2CC(C)(C)CC(C)(C)C2)c1C#N 1163689911 HGWHSKHCPOUIHZ-UHFFFAOYSA-N 319.880 4.956 30 20 DJED CCC(CC)CN(CCC#N)CCc1c(F)cccc1Cl 1167557969 BATLOIOGBRLFRE-UHFFFAOYSA-N 310.844 4.673 30 20 DJED CC[C@@H](OC(=O)c1ccc(C#N)o1)c1c(Cl)cccc1Cl 1265784654 UQPXNDYJJUGYRK-GFCCVEGCSA-N 324.163 4.766 30 20 DJED Cc1nsc(N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)c1C#N 1307138931 CFEGVDOHTSLDMW-JSGCOSHPSA-N 317.845 4.725 30 20 DJED Cc1cc(C#N)ccc1CN1C[C@@H](c2ccccc2C)C[C@@H]1C 1307488596 GIZYEUMTUNZRLD-PXNSSMCTSA-N 304.437 4.553 30 20 DJED C=CCN(C(=O)Nc1ccc(SC(F)(F)F)cc1)C(C)C 1320179656 USZPLNKDXPTAGY-UHFFFAOYSA-N 318.364 4.727 30 20 DJED C=C(C)C(C)(C)c1nnc(CSc2ccc(Cl)cc2)o1 1329295118 JEZSNSCFIHNHOS-UHFFFAOYSA-N 308.834 4.869 30 20 DJED N#Cc1ccccc1NC(=O)/C=C\c1cc(Cl)cc(Cl)c1 1337094629 BEZPZJRJUMKLIU-WAYWQWQTSA-N 317.175 4.517 30 20 DJED Cc1cccc([C@@H]2CCCCN2C(=O)c2csc(C#N)c2)c1C 1360863020 IKIDCDZKEQUXTQ-SFHVURJKSA-N 324.449 4.604 30 20 DJED CC[C@H]1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1OC(C)C 1434887714 PAGNVRJJUXEVPQ-JKSUJKDBSA-N 314.429 4.500 30 20 DJED CCC1(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCC1 1435107086 AKNMQPPMIXQVCC-UHFFFAOYSA-N 320.392 4.869 30 20 DJED C[C@H](OC(=O)C1(c2ccccc2)CCCC1)c1ccc(C#N)cc1 1457188473 BGDDDCVVBWNAKN-INIZCTEOSA-N 319.404 4.674 30 20 DJED N#CCC1(CN(Cc2ccccc2)Cc2ccc(F)cc2)CC1 1459450268 MVXJBPHAWMQIJH-UHFFFAOYSA-N 308.400 4.522 30 20 DJED CCC(C)(C)CNC(=O)c1ccccc1Oc1ccccc1C#N 1515852229 NKUWNNLWSPDRFH-UHFFFAOYSA-N 322.408 4.517 30 20 DJED Cc1cccc(C2=CCN(Cc3cccc(C#N)c3F)CC2)c1C 1560213517 LBIWAHCKLUOMMC-UHFFFAOYSA-N 320.411 4.604 30 20 DJED CCC[C@H]1CCC[C@@H]1C(=O)N(c1cccc(C#N)c1)C1CCC1 1587314066 HWMHDVVQRKHXHT-LPHOPBHVSA-N 310.441 4.660 30 20 DJED Cc1nc(NCC(C)(C)c2ccc3ccccc3c2)ccc1C#N 1612700740 PPGBTGMKLAYYGR-UHFFFAOYSA-N 315.420 4.805 30 20 DJED N#Cc1cccc(SCCn2ccc3cc(Cl)ccc32)c1 1643743300 YUXRNDBMUFENAF-UHFFFAOYSA-N 312.825 4.959 30 20 DJED CC(C)(C)c1nc2ccc(Nc3cccc(C#N)n3)cc2s1 1650803556 KYEKPSPHOZRLFU-UHFFFAOYSA-N 308.410 4.604 30 20 DJED Cc1cccc(-c2ccc(CNc3ncc(C#N)cc3F)cc2)c1 1655163997 GWEPJYLNDNHRNM-UHFFFAOYSA-N 317.367 4.680 30 20 DJED CCCOc1ccc(CNc2cccc(C#N)c2C)cc1OCC 1656341075 IUPSYOHWHLDHQV-UHFFFAOYSA-N 324.424 4.666 30 20 DJED CCN(Cc1cccc(F)c1Cl)[C@H](C)c1ccc(C#N)cc1 1657042181 YYIMOJZIJZABJV-CYBMUJFWSA-N 316.807 4.934 30 20 DJED C[C@H](CCC(C)(C)C)NCc1cc(C#N)ccc1Br 1657247692 LFFPOOBCMDDOAK-GFCCVEGCSA-N 323.278 4.625 30 20 DJED CCC[C@H](Cc1ccccc1)NCc1ccc(C#N)c(Cl)c1 1659577063 QKRXDKRNEQNYIN-GOSISDBHSA-N 312.844 4.713 30 20 DJED CC[C@@H](C)Oc1cc(C)ccc1CNC1CCC(C)(C#N)CC1 1661915305 SXJYWJXPYWDLSH-PPDQVPDSSA-N 314.473 4.734 30 20 DJED Cc1c(NN=C2CCC3(CCCC3)CC2)cccc1C(=O)O 1776088513 QUELWMQRBPKYBK-UHFFFAOYSA-N 300.402 4.596 30 20 DJED CC(CCCCCCC(=O)O)=NNc1cc(Cl)ccc1C 1776106475 HMTXKZGDXCZEDD-UHFFFAOYSA-N 310.825 4.861 30 20 DJED C[C@@H](Nc1ccc(CC#N)cc1)c1ccccc1Br 37071452 GETLZGMOLSRXEK-GFCCVEGCSA-N 315.214 4.688 30 20 DJED Cc1c([C@H](C)Nc2snc(Cl)c2C#N)oc2ccccc12 52432471 MYYFUYUYMXMJBC-VIFPVBQESA-N 317.801 4.896 30 20 DJED N#Cc1csc(C(=O)Nc2ccccc2-c2ccccc2)c1 84059267 COJKGPJXOFVCQY-UHFFFAOYSA-N 304.374 4.539 30 20 DJED COc1cc(C(=O)/C=C\c2c(Cl)cccc2Cl)ccc1O 96792754 LVQLXMCWKYYCDU-VURMDHGXSA-N 323.175 4.604 30 20 DJED CCCCCCCC(=O)Nc1nc(-c2cccnc2)cs1 104983651 AWLXPFHKYRTVOF-UHFFFAOYSA-N 303.431 4.504 30 20 DJED CCCCCCCCCC(=O)Nc1ccc(-c2nnc[nH]2)cc1 303441239 CCNFMUYIYFVJSE-UHFFFAOYSA-N 314.433 4.551 30 20 DJED O/C(=N/[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cc2ccccc2nc1O 329046322 VAGYRVZIMDCLQM-OFQRWUPVSA-N 324.424 4.604 30 20 DJED O/C(=N/C1CCC2(CCCCC2)CC1)c1snnc1C1CC1 329563352 JUTRYCKCZCSNBH-UHFFFAOYSA-N 319.474 4.613 30 20 DJED N#CCCC[C@H](NC(=O)[C@H]1CC12CCCCC2)c1ccccc1 352192071 IVRYKLOXLIZXFH-MSOLQXFVSA-N 310.441 4.508 30 20 DJED C=CCOc1cccc(CN(C)[C@H](C)c2sc(C)nc2C)c1 353635059 XZSZLUTXRPOFNU-CQSZACIVSA-N 316.470 4.518 30 20 DJED Cc1cc(SCc2ccc(CC#N)cc2)nc2ccccc12 399251630 XWCOCQBXQPQNCC-UHFFFAOYSA-N 304.418 4.902 30 20 DJED Cc1cccn2cc(CS[C@@H](C)c3ccc(C#N)cc3)nc12 439544780 GKCIDJRMQADWJJ-AWEZNQCLSA-N 307.422 4.509 30 20 DJED CC[C@H](NCCc1c[nH]c2c(C)cccc12)c1ccc(C#N)cc1 447526719 CFKYVGGSXIOKQR-FQEVSTJZSA-N 317.436 4.631 30 20 DJED C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC1CCC(C)(C#N)CC1 449102192 XSBVLEZMSSHACY-IGEOTXOUSA-N 324.390 4.698 30 20 DJED C=CCCCC[C@H](C)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 449240020 XQFZQYBLOQCPQE-KFKAGJAMSA-N 305.437 4.770 30 20 DJED CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C#N)cc1 461526389 SVAFYOCTWIPNDM-UHFFFAOYSA-N 306.409 4.522 30 20 DJED Cc1oc2ccc(NC(=O)[C@@H](C)c3cccc(C#N)c3)cc2c1C 462545493 CYEFFNUFXKXTFJ-ZDUSSCGKSA-N 318.376 4.664 30 20 DJED C=CCNC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 465061048 VSCRJFSOHAJTQT-UHFFFAOYSA-N 322.191 4.702 30 20 DJED C=CC[C@@H](CC)NC(=O)N1CCCC[C@@H]1c1ccc(F)cc1F 466407150 AZCBEOKZVPRZHB-RHSMWYFYSA-N 322.399 4.556 30 20 DJED C=CCN(Cc1ccc(Cl)s1)Cc1ccncc1Cl 470975523 NWFFCRYTZRSYNA-UHFFFAOYSA-N 313.253 4.638 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)[C@@H](C)CCCc1ccccc1 471172818 MWSDYGXESDXIGU-KRWDZBQOSA-N 314.473 4.576 30 20 DJED CC(C)CC(CC(C)C)NC(=O)C[C@@H](CC#N)c1ccccc1 475671673 XIDPOFDHCNNHHE-GOSISDBHSA-N 314.473 4.651 30 20 DJED C=C(C)[C@H](NCc1ccc(C)c(F)c1)c1ccc(F)c(F)c1 479421178 JDEYWYKESRFWAZ-SFHVURJKSA-N 305.343 4.819 30 20 DJED C=CC[C@H](C(=O)Nc1nc(-c2ccco2)cs1)c1ccccc1 486221795 WEEZDEJNTHYXKS-AWEZNQCLSA-N 324.405 4.702 30 20 DJED C=CCN(CCc1ccco1)C(=O)Nc1ccccc1C(C)C 491270285 GTTWOZMXBRRBTL-UHFFFAOYSA-N 312.413 4.666 30 20 DJED CCC(CC)[C@H](C)C(=O)N(Cc1ccco1)c1ccccc1C#N 535586121 CQRXZJOPDCVOJX-HNNXBMFYSA-N 324.424 4.757 30 20 DJED C[C@H](Cc1ccc(C(F)(F)F)cc1)NCC(C)(C)CCC#N 575415214 AHAKRBDSSHKZPJ-CYBMUJFWSA-N 312.379 4.556 30 20 DJED CCC[C@H](NC[C@H](C#N)CCC#N)c1cccc(C(F)(F)F)c1 578740372 FAKMWWNRZMAZFF-BBRMVZONSA-N 323.362 4.580 30 20 DJED N#Cc1cc(F)c(N[C@H]2CCc3sc(Cl)cc32)c(F)c1 578825920 YXERWCLKXGJRDS-NSHDSACASA-N 310.756 4.651 30 20 DJED Cc1cc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)ccc1F 611394679 WGGQPHTYLMAXAP-JLTOFOAXSA-N 308.400 4.734 30 20 DJED C[C@H](C=NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1 726425988 NGQPWBKEZAXAEN-GFCCVEGCSA-N 317.314 4.778 30 20 DJED O=C1/C(=C\c2nc(-c3ccccc3)cs2)Oc2ccc(F)cc21 727975871 XDUZJHYWMIGSLO-CXUHLZMHSA-N 323.348 4.565 30 20 DJED COc1ccc2oc(C(=O)/C=C/c3ccc(F)cc3)c(C)c2c1 729151964 ZGODEYISAMOWTN-WEVVVXLNSA-N 310.324 4.785 30 20 DJED CC(Cc1nc2ccccc2s1)=NNc1ccc(F)cc1F 749159157 SBSHCTSJTNFGQW-UHFFFAOYSA-N 317.364 4.605 30 20 DJED C=CCC[C@H](NC(=O)/C(C)=C\C)c1ccc(C(F)(F)F)cc1 749947067 PPTMSHYIWWKZQJ-LGVHXXEASA-N 311.347 4.795 30 20 DJED C=C(C)COc1cccc(NCc2cnc(Cl)c(C)c2)c1 770559774 OQPOTDXYTXUMJX-UHFFFAOYSA-N 302.805 4.610 30 20 DJED CC(=NNc1nccnc1C(C)C)c1ccc2ccccc2c1 773091566 SSRUCMBPDMKGKA-UHFFFAOYSA-N 304.397 4.589 30 20 DJED CCOc1ccc(N[C@H](CC)c2ccc(C#N)cc2)cc1OCC 774274491 UJNLLZMMIKUMPQ-GOSISDBHSA-N 324.424 4.919 30 20 DJED C[C@@H](CCCC(F)(F)F)Nc1ccccc1O[C@@H](C)C#N 775547869 QXJQHOODJOPXQO-RYUDHWBXSA-N 300.324 4.510 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2cc(F)c(F)c(F)c2)c(Cl)c1 788360424 KGDPLHUNSQLVKQ-DUXPYHPUSA-N 321.685 4.525 30 20 DJED CC(C)(CCC#N)CNCc1ccc(SC(F)(F)F)cc1 808430295 NSOJLNACBJKZPM-UHFFFAOYSA-N 316.392 4.718 30 20 DJED CC(=O)Nc1cccc(C(C)=NNc2c(C)cccc2C(C)C)c1 812233256 TUSMOEIDCRWLBY-UHFFFAOYSA-N 323.440 4.913 30 20 DJED CCc1noc(C)c1C(C)=NNc1cccc(Cl)c1Cl 841646552 ZCTJFAVVLLYGMF-UHFFFAOYSA-N 312.200 4.688 30 20 DJED O=C(/C=C\c1cccc(OCc2ccccc2)c1)c1ccncc1 916136075 GLJQNUGXLFBBSZ-KTKRTIGZSA-N 315.372 4.557 30 20 DJED COc1ccc(/C=C\C(=O)c2cccs2)cc1OCC(C)C 916136982 CXBWROGJBCJUEE-VURMDHGXSA-N 316.422 4.688 30 20 DJED Cc1cc(NCCC(C)(C)C)n2c(nc3ccccc32)c1C#N 1184803135 PXQBCESBURZVRD-UHFFFAOYSA-N 306.413 4.516 30 20 DJED Cc1c(C#N)cccc1NC(=O)N(C)c1ccc(C(C)C)cc1 1201830600 MZCXBGXEERYCQT-UHFFFAOYSA-N 307.397 4.658 30 20 DJED CC[C@@H](c1ccccc1)N(CC)c1nc(Cl)c(C#N)s1 1306946873 NWPJIYVFVIUHGN-LBPRGKRZSA-N 305.834 4.646 30 20 DJED N#Cc1cnccc1Nc1ccc(OCC2CCCCC2)cc1 1306947844 WCZMNOOWTITYPE-UHFFFAOYSA-N 307.397 4.656 30 20 DJED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCC[C@@H]2CCC(C)C)c1 1310872338 LUDZOJPQGOJQBW-SJLPKXTDSA-N 313.445 4.593 30 20 DJED CCOCc1ccc(N=Cc2c(O)ccc3ccccc23)cc1 1319166356 BGECSPHGIFKPGA-UHFFFAOYSA-N 305.377 4.833 30 20 DJED C=CCCO[C@H](C)c1nnc(CSc2ccc(Cl)cc2)o1 1326131229 FRTXLQDFAAAYIN-LLVKDONJSA-N 324.833 4.669 30 20 DJED CCCc1ccc(CCCC(=O)Nc2cc(C#N)ccc2C)cc1 1355075142 VUZDKMSWSPPOPS-UHFFFAOYSA-N 320.436 4.781 30 20 DJED CCCN(CC1CCCCC1)C(=O)Nc1cc(F)cc(C#N)c1 1467158598 HEKMRWYBETVDIJ-UHFFFAOYSA-N 317.408 4.522 30 20 DJED CC[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1cc(C)ccc1C 1475838107 DLUBCCSVWJGWPD-LJQANCHMSA-N 321.424 4.642 30 20 DJED N#CC[C@@H](C(=O)Nc1cccc2ccsc12)c1ccccc1 1519668927 UVNIJZQRKQCWIG-OAHLLOKOSA-N 306.390 4.537 30 20 DJED CCN(C(=O)[C@@H](C)CC1CCCC1)c1ccc(C#N)c(Cl)c1 1526041935 REXSHOOROVMIAV-ZDUSSCGKSA-N 318.848 4.781 30 20 DJED CCCC[C@@H](C(=O)Nc1cc(C#N)ccc1NCCC)C(C)C 1565798674 FGNFMVMDVCBZQT-MRXNPFEDSA-N 315.461 4.781 30 20 DJED CCCC[C@H](CC)CCCN(C)C(=O)c1ccc(C#N)s1 1586673565 QWCRXQZZSFSQRX-AWEZNQCLSA-N 306.475 4.688 30 20 DJED N#Cc1cccc(CN[C@@H]2CCCC[C@H]2Cc2ccccc2)c1F 1645366527 ZVUZNVVUMCEETA-FXAWDEMLSA-N 322.427 4.588 30 20 DJED CC1(C)CC[C@H](Nc2ccc(Cl)c(C#N)n2)c2ccccc21 1650694164 YCLFONBRHGCBFJ-HNNXBMFYSA-N 311.816 4.831 30 20 DJED N#Cc1ccc(CNC2CCC(c3ccc(F)cc3)CC2)cc1 1650929952 UOKKIHNBAJKVFR-UHFFFAOYSA-N 308.400 4.513 30 20 DJED C[C@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@@H]1CCC[C@@H](C)C1 1651151442 SPGXLQBFNGRGDK-GRYCIOLGSA-N 311.351 4.599 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCCC[C@H]1c1ccccc1 1653183167 PUSFNULSBZONKS-IBGZPJMESA-N 310.828 4.939 30 20 DJED C[C@H](CN(Cc1ccc(C#N)cc1)C1CC1)c1cccc(Cl)c1 1658596254 WGKOQBPXEAOYQD-OAHLLOKOSA-N 324.855 4.980 30 20 DJED Cc1csc(NC(=O)N[C@@H]2CCC[C@@H]2CCC(C)C)c1C#N 1677351621 ROAHNKHOEDVLLE-UKRRQHHQSA-N 319.474 4.655 30 20 DJED C=CCCC[C@H](NCc1ccc(C2CCCCC2)cc1)C(=O)O 1776171058 BRDFDIILIGCOBI-IBGZPJMESA-N 315.457 4.633 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1cccc(C2CC2)c1 1776784105 XQCSMFXANVZAHW-IBGZPJMESA-N 317.473 4.857 30 20 DJED CCc1ccc(C(=O)/C=C/c2c(Cl)nc3ccccn23)s1 26764936 ZWTOVHLVABPQTA-BQYQJAHWSA-N 316.813 4.508 30 20 DJED O=C(/C=C\c1ccc(/C=C/C(=O)c2ccco2)cc1)c1ccco1 34806533 NZUQBRSPJPOUOM-DSOJMZEYSA-N 318.328 4.665 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(F)c(Cl)c1 36991800 CEBDSASUVWPUMX-NEPJUHHUSA-N 302.780 4.763 30 20 DJED CCC(C#N)(CC)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 44765232 WQEYHXNPBJMEQD-JTQLQIEISA-N 313.228 4.501 30 20 DJED C=CCOc1cccc(NC(=O)N2CCC[C@H]2c2ccccc2)c1 56772335 WNWRJSIDXUSVDR-IBGZPJMESA-N 322.408 4.620 30 20 DJED CCOc1ccc(C#N)cc1NC(=O)c1ccc(C(C)(C)C)cc1 60020971 TXDLXYTWIQRXLO-UHFFFAOYSA-N 322.408 4.507 30 20 DJED CCC(CC)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 78582021 GVIURQXUIWHALJ-UHFFFAOYSA-N 308.381 4.725 30 20 DJED CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cc(C)ccc1OC 93401125 LDFFELALMPVTKI-HNAYVOBHSA-N 308.425 4.677 30 20 DJED C=CCOc1cccc(CNc2cccc(-c3ncco3)c2)c1 160397793 XVCOEEBVNOPEOV-UHFFFAOYSA-N 306.365 4.519 30 20 DJED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 161135612 RZYICPWZZYHNON-CVEARBPZSA-N 324.449 4.600 30 20 DJED CCC[C@@H](NCc1ccc(O[C@H](C)C#N)cc1)c1ccccc1 171562833 ZZZYDBXBQIRFNB-OXQOHEQNSA-N 308.425 4.608 30 20 DJED N#Cc1ccc(CN[C@@H](c2ccc(F)cc2)C2CCCC2)s1 176957799 KBNMCKWMTKLJSS-GOSISDBHSA-N 314.429 4.780 30 20 DJED C=C(C)[C@@H](NCc1ncc(C(C)C)s1)c1ccc(F)c(F)c1 187375255 YKZFZZYHTIATNM-QGZVFWFLSA-N 322.424 4.952 30 20 DJED C=CCN(CCOC)C(=O)Nc1ccc(C(C)C)cc1C(C)C 192023238 DPDUUJGPDMUQKP-UHFFFAOYSA-N 318.461 4.600 30 20 DJED C[C@@H](NCc1ccc(C#N)c(F)c1)c1cccc2ccccc12 192147568 YLXTUBOJVCVNTE-CQSZACIVSA-N 304.368 4.701 30 20 DJED N#Cc1cc(NC(=O)c2csc3ccccc23)ccc1Cl 217165164 UXHNNUPBTPINIC-UHFFFAOYSA-N 312.781 4.679 30 20 DJED Cc1cccnc1[C@H]1CCC[C@@H](Nc2ccc(CC#N)cc2)C1 281221210 KLBZCCZFGQTQIN-PKOBYXMFSA-N 305.425 4.594 30 20 DJED N#Cc1cccc(Cl)c1NCc1coc(-c2cccs2)n1 301345432 HSIBUYZBTLDJON-UHFFFAOYSA-N 315.785 4.540 30 20 DJED C[C@H]1CC(/N=C(/O)c2ccc3c(c2)N=C(O)C3(C)C)C[C@H](C)C1 328829971 JPQXLCFHIXBAEK-VXGBXAGGSA-N 314.429 4.695 30 20 DJED C=CCC(CC=C)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 343478239 HNIKTKXWHAAZFO-OAHLLOKOSA-N 321.873 4.762 30 20 DJED CSc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)s1 425363557 BSXGTKIXDAIADN-LBPRGKRZSA-N 302.468 4.535 30 20 DJED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cccc(Cl)c2)s1 430588902 BBHFDTCBUKGLMV-GFCCVEGCSA-N 318.829 4.584 30 20 DJED N#CCC1(CN[C@@H]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 430736070 BXLDVDMTHMKOBA-XJKSGUPXSA-N 323.267 4.913 30 20 DJED Cc1cc([C@H](NCCCCC(C)(C)C#N)C2CC2)ccc1F 444679559 MYIKIFBNHDWTDS-GOSISDBHSA-N 302.437 4.895 30 20 DJED CCc1nc2cc(N[C@@H](CC)c3ccc(C#N)cc3)ccc2o1 447576385 YFHHOVJMJHXUPL-INIZCTEOSA-N 305.381 4.825 30 20 DJED CC[C@H](NC[C@@H]1CCCC[C@H]1C(F)(F)F)c1ccc(C#N)cc1 447587154 PAWKNZFUXODKKX-BBWFWOEESA-N 324.390 4.968 30 20 DJED C=CCOCCCC(=O)N[C@H](CC(C)C)c1ccc(Cl)cc1 464066093 LCPWNGCGWPBLER-QGZVFWFLSA-N 323.864 4.526 30 20 DJED C=C[C@@H](C)NC(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C 465249544 ABDZRGBUEWXZTI-HZPDHXFCSA-N 324.424 4.831 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1ccc(COCc2ccccc2)cc1 468008956 GYZXBGJTURBODH-NRFANRHFSA-N 323.436 4.944 30 20 DJED C=C(C)CN(CC)C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 471286508 FHRKOKFNRLVWBN-LLVKDONJSA-N 300.229 4.522 30 20 DJED C=CCCCCNC(=O)C[C@@H](C)c1ccccc1C(F)(F)F 471707807 ZAPCRQYSBRFVEY-CYBMUJFWSA-N 313.363 4.672 30 20 DJED C=C(C)COc1cc(CNc2ccc3c(c2)CCC3)ccc1OC 477266756 SFLVFERHRGNLGK-UHFFFAOYSA-N 323.436 4.751 30 20 DJED C=CCC[C@H](Nc1ccc(C)c(C(=O)N(C)C(C)C)c1)C1CC1 494494640 LVBSRJKVULXZAF-IBGZPJMESA-N 314.473 4.632 30 20 DJED C=CCN(Cc1ccc(OC)cc1)C(=O)CCC1CCCCC1 515671054 OIJDLEHSWKGHEO-UHFFFAOYSA-N 315.457 4.570 30 20 DJED CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2CC#N)cc1 520883066 XTXVRYLYJWREBU-UHFFFAOYSA-N 320.436 4.621 30 20 DJED N#CCN(Cc1sc2ccccc2c1Cl)C1CCCC1 524595481 MBSFGISNNNDJSN-UHFFFAOYSA-N 304.846 4.823 30 20 DJED COc1ccccc1-c1ccc([C@H](C)N(C)CCCC#N)cc1 525125857 YQGOMFYBRXVWHL-INIZCTEOSA-N 308.425 4.659 30 20 DJED CC(C)(C)[C@H](NCc1ccc(F)c(C#N)c1)c1cccc(F)c1 538232709 GSWOIKHKUOMOFB-GOSISDBHSA-N 314.379 4.713 30 20 DJED CC[C@@H](C)n1ncc(N[C@@H](C)c2ccc(C#N)cc2)c1C1CC1 538580172 POVSAFYRKDLNLW-KGLIPLIRSA-N 308.429 4.776 30 20 DJED C[C@H](NCCC(C)(C)C#N)c1cc(F)c(Cl)cc1Cl 539615102 HTWDPJPORIHYCJ-VIFPVBQESA-N 303.208 4.723 30 20 DJED C[C@H]1CC[C@H](c2ccccc2)N(c2nccc(C#N)c2Cl)C1 557737019 NIASXLFSJGPEMB-XJKSGUPXSA-N 311.816 4.584 30 20 DJED C=CCN(Cc1cc(C(=O)O)ccc1Cl)CC1CCCCC1 579365386 ZCAITXMHFGGGEE-UHFFFAOYSA-N 321.848 4.607 30 20 DJED N#Cc1c(F)cccc1SCc1cc(-c2ccccc2)no1 580990268 FVJQIAYNAXQCHG-UHFFFAOYSA-N 310.353 4.645 30 20 DJED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@H](CC)CCCC 609754810 GVONHXLRJKXSHA-QGZVFWFLSA-N 312.457 4.679 30 20 DJED C=CCCCSCC(=O)N[C@H](C)c1ccc2ccccc2c1 609805201 VDJKATKVVFMISO-OAHLLOKOSA-N 313.466 4.716 30 20 DJED N#Cc1ccc(C2=CCN(Cc3cscc3Cl)CC2)cc1 611287738 RIYYAMRJQQTIEU-UHFFFAOYSA-N 314.841 4.562 30 20 DJED N#C[C@H]1CCC[C@@H](Nc2ccc(C(F)(F)C(F)(F)F)cc2)C1 618578791 ZUDBBEUCEJQAGN-GXFFZTMASA-N 318.289 4.835 30 20 DJED CC(=NNc1ccc(Br)cc1C)c1cccs1 728432783 AYPDPTHYCDSSBN-UHFFFAOYSA-N 309.232 4.655 30 20 DJED CC(C)(C)c1ccc([C@H](C#N)NC(=O)C=C2CCCCC2)cc1 731199270 VNAFBSKRVCBGPN-SFHVURJKSA-N 310.441 4.555 30 20 DJED O=C(/C=C/c1coc(-c2ccccc2)n1)c1ccc(Cl)cc1 731835853 STIYAQAJCPFRLS-ZHACJKMWSA-N 309.752 4.891 30 20 DJED C=CC[C@H](C)NC(=O)Nc1ccc(SC(C)(C)C)cc1C 735172717 PLLXEURUYYELFQ-ZDUSSCGKSA-N 306.475 4.972 30 20 DJED Cc1ccc(C)c(/C=C\C(=O)c2c(Cl)nc3ccccn23)c1 737445574 AYRFIVMXQKFDFI-HJWRWDBZSA-N 310.784 4.501 30 20 DJED Cc1ccc(-c2ncc(/C=C3\Oc4ccccc4C3=O)s2)cc1 742436783 NRBBYARRISXWCD-YVLHZVERSA-N 319.385 4.735 30 20 DJED C[C@@H](C/N=C\c1c(O)ccc2ccccc12)Oc1ccccc1F 743043183 SXKBQFBWNKTRRR-CRRPLPBISA-N 323.367 4.571 30 20 DJED C[C@@H](C/N=C/c1cc2ccccc2nc1O)Sc1ccccc1 743044904 TXSHATKCFHYLQZ-ZXOFLVKFSA-N 322.433 4.540 30 20 DJED CC(=NNc1cccc(C(F)(F)F)n1)[C@@H](C)c1ccccc1 746371762 FYSZUMNBBJFALZ-LLVKDONJSA-N 307.319 4.692 30 20 DJED Cc1ccc(N(CCC#N)C(=O)CC[C@@H](C)c2ccccc2)cc1 750262847 PRIJFSUJANSYFD-GOSISDBHSA-N 320.436 4.826 30 20 DJED CC(C)c1ccc(C=NOCc2ccn(C3CCCC3)n2)cc1 763171980 BFSWYDKRMITCTP-UHFFFAOYSA-N 311.429 4.672 30 20 DJED Cc1ccsc1C(Cc1ccccc1)=NOCC(F)(F)F 764845381 WPODMZUOTXZMNV-UHFFFAOYSA-N 313.344 4.582 30 20 DJED C=CC[C@@H](N[C@H](CCC)c1ccc(OC)cc1)c1ccncc1 766023029 ZOKFAZZTGLFFEY-WOJBJXKFSA-N 310.441 4.838 30 20 DJED c1ccc(-c2nn(-c3ccccc3)cc2CON=C2CCC2)cc1 774821619 UCVJSNUKLMLQOR-UHFFFAOYSA-N 317.392 4.596 30 20 DJED C=CCCC[C@@H](C)NC(=O)Nc1ccc(N2CCCCC2)cc1 775974275 YKJUPPOOUKUQGN-MRXNPFEDSA-N 315.461 4.543 30 20 DJED CCc1c(C(=O)/C=C/c2ccc(F)nc2)oc2ccc(C)cc12 777465525 CNVQZISCZJXNJK-FNORWQNLSA-N 309.340 4.734 30 20 DJED N#Cc1ccc(NN=C2CCC23CCCC3)cc1C(F)(F)F 788714850 MDEVDYHNTUUHCV-UHFFFAOYSA-N 307.319 4.699 30 20 DJED CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)c1ccc(C)cc1C 793133246 SVVSNRKAYRFBPK-UHFFFAOYSA-N 320.436 4.771 30 20 DJED CC(=O)Nc1cccc(C(=O)/C=C\c2csc3ccccc23)c1 810197297 UPWLIXWRMLSPGO-KTKRTIGZSA-N 321.401 4.756 30 20 DJED CC(=NNc1ccc2ccccc2n1)c1nccc2ccccc12 811629687 BEKSBQBJSMZDIY-UHFFFAOYSA-N 312.376 4.619 30 20 DJED C#Cc1ccccc1CC(=O)Nc1c(CCC)cccc1C(C)C 813212920 HQVSHHUPNIFWOD-UHFFFAOYSA-N 319.448 4.925 30 20 DJED C=CCC(F)(F)C(=O)N[C@H](c1cccs1)C(CC)CC 815089884 ROORVJOHYWMRRP-ZDUSSCGKSA-N 301.402 4.553 30 20 DJED CC1(C#N)CCC(=NNc2ccnc3cc(Cl)ccc23)CC1 834919594 YDHOLIWRCCIOCT-UHFFFAOYSA-N 312.804 4.760 30 20 DJED c1ccc(Cc2ccccc2NN=C2CCC23CCOCC3)cc1 844615829 ARZDEKOGRYBPOG-UHFFFAOYSA-N 320.436 4.636 30 20 DJED CCOc1ccccc1C=NOCc1cccc2ccccc12 849804285 DSSNPEBYJJHJIQ-UHFFFAOYSA-N 305.377 4.789 30 20 DJED C=C(Cl)CS[C@H](C)C(=O)Nc1c(C)cccc1C(C)C 853784126 YFUJMXYSDXFNSB-CYBMUJFWSA-N 311.878 4.931 30 20 DJED COCOc1ccc(-c2ccccc2C2(C#N)CC2)cc1Cl 863980903 SYDUTWOXXJQXCI-UHFFFAOYSA-N 313.784 4.545 30 20 DJED CC[C@H](c1ccc(F)cc1)[S@@](=O)CCCCC1(C#N)CCC1 899392191 QOPCQIULTWXROP-VGSWGCGISA-N 321.461 4.890 30 20 DJED CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1ccc[nH]1 916249254 XNMFAWHYLGYSIR-UHFFFAOYSA-N 302.592 4.811 30 20 DJED O=C(O)c1ccc(C(=O)/C=C\c2ccc(-c3ccccc3)o2)s1 917518531 BLHOVJLSWQRJQV-VURMDHGXSA-N 324.357 4.602 30 20 DJED CC(C)C(CCc1ccccc1)=NNc1ncnc2sccc12 917543530 KLWKCXRBEARMHW-UHFFFAOYSA-N 324.453 4.748 30 20 DJED CCn1nc(C)c(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)c1C 920927692 JCDGNFGYVIMUGI-VURMDHGXSA-N 323.223 4.723 30 20 DJED CC(C)Cc1ccc(CC(=O)O[C@H](C)c2ccc(C#N)cc2)cc1 1126713406 ZHGMTCKFWIGQHT-MRXNPFEDSA-N 321.420 4.604 30 20 DJED CCCC[C@@H](CC)CCCN(C)C(=O)c1sccc1C#N 1131220003 HDOSBCDVLWMZBF-CQSZACIVSA-N 306.475 4.688 30 20 DJED Cc1ccc(C(=O)Nc2cc(F)cc(C#N)c2)c(Cl)c1Cl 1132224183 DWMGEKCEHUJUPR-UHFFFAOYSA-N 323.154 4.565 30 20 DJED C[C@@H]1CC(CCN(Cc2ccc(C#N)cc2)C2CC2)C[C@@H](C)C1 1168415067 YCSLCFICBUSSLO-IRXDYDNUSA-N 310.485 4.985 30 20 DJED Cc1c(C#N)cccc1C(=O)N[C@@H](C)c1cccc2ccccc12 1264024522 HIADDDACIMZJFE-HNNXBMFYSA-N 314.388 4.511 30 20 DJED CCCc1ccc(CCCC(=O)Nc2sccc2C#N)cc1 1264107963 OQLUMZHUDDBHQW-UHFFFAOYSA-N 312.438 4.534 30 20 DJED N#C[C@H]1CC[C@H](Sc2nc3ccccc3n2-c2ccccc2)C1 1307250076 UPLSMWUICOMSNM-HOCLYGCPSA-N 319.433 4.810 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N[C@@H](c1ccccc1C)C(C)C 1310382766 ZYFXTPDFOKATPA-LJQANCHMSA-N 321.424 4.694 30 20 DJED Cc1ccc(OCc2ccc(C#N)cc2OC(F)F)cc1Cl 1459138245 RGHZMXZLQFZAPA-UHFFFAOYSA-N 323.726 4.701 30 20 DJED Cc1cc(SCC(=O)c2c(C)[nH]c3ccccc23)ccc1C#N 1459143828 VQKXALMGMVZPFM-UHFFFAOYSA-N 320.417 4.631 30 20 DJED CC[C@@H]1CCCCN1Cc1ccc(-c2ccccc2C#N)cc1 1459352965 BPOVYCZWWJFENV-HXUWFJFHSA-N 304.437 4.990 30 20 DJED CC(C)(C)c1ccc2c(c1)CCN(Cc1ccc(F)cc1C#N)C2 1459393471 CGRKQRNUFRSALQ-UHFFFAOYSA-N 322.427 4.553 30 20 DJED CN(Cc1ccc(-c2ccccc2C#N)cc1)CC1CCCC1 1473123631 FGELCZGKSQZQHV-UHFFFAOYSA-N 304.437 4.847 30 20 DJED N#CCc1ccc(CN2CCC[C@@H]2c2ccccc2Cl)cc1 1559489368 ONVQXCMOCDEAIL-LJQANCHMSA-N 310.828 4.743 30 20 DJED C=C(CNC(=O)N[C@H]1CCC[C@@H]1CCC(C)C)c1ccccc1 1563924971 MOYKJAYRSJMOGQ-MOPGFXCFSA-N 314.473 4.604 30 20 DJED N#CCC[C@H](Nc1nc(Cl)nc2ccccc12)c1ccccc1 1612161134 HULVROLJNASFTP-HNNXBMFYSA-N 322.799 4.740 30 20 DJED CC1(C)C[C@H](Sc2nc(-c3ccccc3)ccc2C#N)CCO1 1613548725 YROAJLMXSHLFGF-MRXNPFEDSA-N 324.449 4.670 30 20 DJED CCc1ccc([C@H]2CCCN(Cc3cccc(C#N)c3F)C2)cc1 1617751016 ZILLTACHWCKIOE-IBGZPJMESA-N 322.427 4.639 30 20 DJED CCC[C@@H](C)[C@H]1CCCN1Cc1ccc(C#N)cc1OC(F)F 1642259004 QAVVHNWMHPYHNG-CZUORRHYSA-N 322.399 4.560 30 20 DJED CCCC[C@@H](CC)COC(=O)CSCc1ccccc1C#N 1643656082 HBBWFTXSMNKGGP-OAHLLOKOSA-N 319.470 4.551 30 20 DJED N#C[C@H](CCc1ccccc1)Sc1ccc(C(F)(F)F)cn1 1652510382 MLJPBOOAJZFPJD-AWEZNQCLSA-N 322.355 4.717 30 20 DJED CC(C)CC[C@@H]1CCCN1c1ccc(C#N)c(Br)c1 1655260586 IASHZXNRPCIGDI-AWEZNQCLSA-N 321.262 4.726 30 20 DJED CC(C)(C)[C@@H]1CN(c2nc(C#N)c(Cl)s2)c2ccccc21 1655427540 CQVAXUMXTRZEJE-LLVKDONJSA-N 317.845 4.950 30 20 DJED COc1c(Cl)cc(Cl)cc1CNc1cccc(CC#N)c1 1657978325 YRVHLBYQOYZYRD-UHFFFAOYSA-N 321.207 4.680 30 20 DJED CC(C)(CC#N)CN[C@H](CCc1ccccc1)Cc1ccccc1 1659422258 KRVFHWQAQNQDGB-OAQYLSRUSA-N 320.480 4.760 30 20 DJED C=C(CNC(=O)N[C@@H](C)c1cccc(C2CC2)c1)c1ccccc1 1682888040 AGSUUIBRGARCEN-INIZCTEOSA-N 320.436 4.638 30 20 DJED N#CC[C@@H]1C[N@]1C(c1ccccc1)(c1ccccc1)c1ccccc1 1857776317 KUFZDUQIKUDLPA-RDGATRHJSA-N 324.427 4.576 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1nc2ccccc2s1 27353970 REGULFPWFPUARI-UHFFFAOYSA-N 323.421 4.516 30 20 DJED N#Cc1ccccc1CSc1nc2cc(Cl)ccc2o1 60382838 IWIXOPJVDGNVCB-UHFFFAOYSA-N 300.770 4.645 30 20 DJED C[C@@H](Sc1ccc([N+](=O)[O-])cc1C#N)c1ccc(Cl)cc1 63282577 WIGFLHSFRLDVKQ-SNVBAGLBSA-N 318.785 4.973 30 20 DJED C=CCOc1cccc(NC(=O)c2cc3ccccc3s2)c1 65749568 VIGUMXYPDJILJK-UHFFFAOYSA-N 309.390 4.718 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)C2CCCCCCC2)n1 80452122 PFJQYOLGEHDOEE-AWEZNQCLSA-N 304.459 4.803 30 20 DJED N#Cc1cccc(CNc2ccc(Cl)c(Br)c2)c1 94667789 HTUJGNOOQRMFRN-UHFFFAOYSA-N 321.605 4.586 30 20 DJED COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1 103215962 ZTFFLLSPITWDOY-ZHACJKMWSA-N 318.372 4.753 30 20 DJED C=C(C)CN(CC)C(=O)Nc1cccc(CCC(F)(F)F)c1 124544851 YAUYASSUTHCJJA-UHFFFAOYSA-N 314.351 4.611 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)CC2(C)CCCCC2)n1 127608890 ZIXNKUWFDCQIRF-CYBMUJFWSA-N 304.459 4.803 30 20 DJED CC(C)(CC(=O)N[C@H](CCC#N)c1ccccc1)c1ccccc1 153636680 FNSMRCYFYNMVCS-LJQANCHMSA-N 320.436 4.516 30 20 DJED C[C@H](CCC#N)Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1 188263469 HQRCSWMCVGJAEA-GFCCVEGCSA-N 315.442 4.818 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H]2CCC[C@H]2C1 191509505 KBJCJFWWRDPBAG-IRXDYDNUSA-N 312.457 4.802 30 20 DJED CCCCCCCCC(=O)N1CCC(OC2CCCC2)CC1 195398950 JMHINAWWGSPHER-UHFFFAOYSA-N 309.494 4.687 30 20 DJED N#Cc1ccc(NC(=O)c2csc3ccccc23)c(Cl)c1 226346831 VCPXDZGBCQHYHP-UHFFFAOYSA-N 312.781 4.679 30 20 DJED CC[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(F)cc1O 286026560 JADBWNNUJISOLC-QZTJIDSGSA-N 312.388 4.617 30 20 DJED N#Cc1cc(F)c(N[C@H]2CCSc3ccc(F)cc32)c(F)c1 302431445 LHZZHWFSPQXYTF-AWEZNQCLSA-N 320.339 4.625 30 20 DJED C=CCN(CC=C)C(=O)c1cc2sc3ccccc3c2s1 302789756 ATLGJMQUKZGFAD-UHFFFAOYSA-N 313.447 4.930 30 20 DJED CC(C)CCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 325111024 FIYISQMGLVLWCT-QGZVFWFLSA-N 322.452 4.834 30 20 DJED C[C@@]1(C(O)=Nc2ncc(C3CCCCC3)s2)CCCOC1 329463101 QJTGMMWDLZOGSM-MRXNPFEDSA-N 308.447 4.596 30 20 DJED C[C@@H]1C[C@@H](N[C@H](C)c2ccc(C#N)cc2)c2ccsc2S1 336839314 JPJGHXMOXGAION-XHBSWPGZSA-N 314.479 4.896 30 20 DJED CSc1ccc(CN[C@H](CCC#N)c2ccccc2)s1 352797675 MSWBXYAOZGPJSY-OAHLLOKOSA-N 302.468 4.605 30 20 DJED Cc1nnc(SCc2ccc(C3CCC3)cc2)c(C#N)c1C 447303836 JKNKRDNXXCOQBS-UHFFFAOYSA-N 309.438 4.525 30 20 DJED Cc1ccc(SC[C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 471600720 DMBRMNWNTJMDOF-HOTGVXAUSA-N 310.466 4.698 30 20 DJED Cc1cc2occ(C(=O)Nc3ccc(C#N)cc3Cl)c2cc1C 472400223 YXZZWFMSXDGEQJ-UHFFFAOYSA-N 324.767 4.827 30 20 DJED CC(C)(C#N)c1ccccc1CSc1ncccc1Cl 488592408 HNEZVUQUOVFBSA-UHFFFAOYSA-N 302.830 4.828 30 20 DJED CC(C)CN(C(=O)CCCc1ccccc1)c1ccc(C#N)cc1 499302817 VPUHHCAMPXHLNZ-UHFFFAOYSA-N 320.436 4.570 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC(=O)CCCC(C)(C)C 504280183 PNCDJCPAGWNSGM-UHFFFAOYSA-N 302.418 4.500 30 20 DJED N#Cc1cnc(N2CCC[C@@H]2c2cccc(Cl)c2)c(Cl)c1 513645799 PYNDTTNSJUQLFA-OAHLLOKOSA-N 318.207 4.602 30 20 DJED C=CCC[C@@H](NCc1coc(-c2cccs2)n1)c1ccco1 513668431 YMNYYOGMDOEEAB-CQSZACIVSA-N 314.410 4.793 30 20 DJED N#Cc1c(Cl)cccc1N[C@@H]1CCSc2c(F)cccc21 515208947 CMDZVAVPFUGVKD-OAHLLOKOSA-N 318.804 5.000 30 20 DJED C=CCCCNc1cccc(COCc2ccc(OC)cc2)c1 524842277 BPIOIUSSVJMBIT-UHFFFAOYSA-N 311.425 4.790 30 20 DJED CCC(CC)[C@H](C)C(=O)Nc1ccccc1SCCC#N 534906275 MUJNSSNOTMRKPF-ZDUSSCGKSA-N 304.459 4.703 30 20 DJED Cc1ccc(C#N)cc1NCc1csc(-c2ccccc2F)n1 538540459 OTMHYWIKEBUAHH-UHFFFAOYSA-N 323.396 4.741 30 20 DJED C=CCCOCCCCC(=O)Nc1ccc2c3c(cccc13)CC2 540498108 OUHMFPXUQKLPAE-UHFFFAOYSA-N 323.436 4.640 30 20 DJED CC[C@@H](NCc1ccc(F)cc1C#N)c1ccc(Cl)s1 542557734 VOSSCSPERKAOFL-CYBMUJFWSA-N 308.809 4.653 30 20 DJED Cc1ccc2cc([C@H](C)NC3(c4cccc(C#N)c4)CC3)oc2c1 551813170 IVUNVXZZESSBDP-HNNXBMFYSA-N 316.404 4.953 30 20 DJED C=CCC[C@@H](NCCCCc1nc(C)cs1)c1ccco1 552045095 YAGZHZWHFBHUQQ-OAHLLOKOSA-N 304.459 4.664 30 20 DJED COc1cc(C)ccc1[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 569558601 ZMKYNNXDJUPVBF-FOIQADDNSA-N 320.436 4.604 30 20 DJED C[C@H](NC1(c2ccccc2Cl)CC1)c1ccc(C#N)cc1F 592391763 IOWWFJWEXCWWDE-LBPRGKRZSA-N 314.791 4.691 30 20 DJED C=C(C)C[C@H](C)c1nc(Cc2cn(C)c3cc(C)ccc23)no1 685375748 KVNPXEZRYVKKEP-AWEZNQCLSA-N 309.413 4.530 30 20 DJED C=C(Cl)CSCc1coc(-c2ccc(F)c(F)c2)n1 728591627 IWFQTHJJUKEXQP-UHFFFAOYSA-N 301.745 4.606 30 20 DJED CC(=NNc1ccc(F)cn1)C(c1ccccc1)c1ccccc1 731320279 XXFBALMKAFWOBC-UHFFFAOYSA-N 319.383 4.841 30 20 DJED C=CCCCCCN(C)C(=S)Nc1ccc(OC(C)C)cc1 739456542 GXTGAKTYHRRNBC-UHFFFAOYSA-N 320.502 4.849 30 20 DJED O=C(/C=C\c1cnc(C2CCC2)s1)c1ccc(F)c(F)c1 760262050 IXTWTNNESASWHL-ALCCZGGFSA-N 305.349 4.585 30 20 DJED CC(=O)Nc1ccc(C(=O)/C=C/c2ccc(Cl)cc2C)cc1 767360880 SVFRRHHMBAYTMJ-UXBLZVDNSA-N 313.784 4.503 30 20 DJED COc1cc(-c2ccccc2)ccc1/C=C/C(=O)c1cccnc1 781106497 LQIKKZXJFOVNNP-VAWYXSNFSA-N 315.372 4.653 30 20 DJED C=CC[C@@H](C(=O)O[C@H](C)c1ccc(Cl)cn1)c1ccccc1 781710453 XFLQFPJZLQINPA-CZUORRHYSA-N 315.800 4.699 30 20 DJED Cc1cc(/C=C2/Cc3c(F)ccc(F)c3C2=O)cc2cccnc12 783709700 UQEUJEBUDYFJPP-ZROIWOOFSA-N 321.326 4.644 30 20 DJED O=C1/C(=C/c2ccccc2C(F)(F)F)Cc2nc(Cl)ccc21 806578247 PJZVGYSYEGFQAN-JXMROGBWSA-N 323.701 4.576 30 20 DJED CCCCCCCCNC(=O)N(C)C1CCC(F)(F)CC1 807022914 VMCYDQKLDAAWDH-UHFFFAOYSA-N 304.425 4.566 30 20 DJED C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1nc2ccccc2s1 810218042 FIVZIRJWABKNIO-BLLLJJGKSA-N 319.433 4.506 30 20 DJED C=CCN(Cc1cccs1)Cc1ccnc(Cl)c1Cl 811454315 JJKRWWJQOKSMSO-UHFFFAOYSA-N 313.253 4.638 30 20 DJED CCc1nocc1/C=C/C(=O)c1ccc(OC(C)C)c(Cl)c1 834441367 IDTUOIVTMSFNLA-FNORWQNLSA-N 319.788 4.574 30 20 DJED CCCCCCCCCNC(=O)c1scnc1C(F)(F)F 847321443 RSEMIUYHBPYKSJ-UHFFFAOYSA-N 322.396 4.642 30 20 DJED CCOc1ccc(C=Nc2ccc3oc(C4CC4)nc3c2)c(O)c1 914703199 QTKHTGSDGGIUCS-UHFFFAOYSA-N 322.364 4.560 30 20 DJED Cc1c(CON=Cc2ccc(C(C)C)cc2)cccc1[N+](=O)[O-] 917395599 UFTKFLGPKBKCSA-UHFFFAOYSA-N 312.369 4.577 30 20 DJED O=C(/C=C\c1ncc(-c2ccccc2)[nH]1)c1cccc(Cl)c1 1116019901 AATZDMGFNVQJDF-KTKRTIGZSA-N 308.768 4.626 30 20 DJED N#C[C@H](CCc1ccccc1)C(=O)Nc1ccc(C2CCC2)cc1 1139447474 OGJILPFQGWVVSR-IBGZPJMESA-N 318.420 4.665 30 20 DJED CC(C)[C@H]1CCc2ccccc2[C@H]1NCc1ccc(C#N)cc1 1178440217 JWELFCMEQVNULM-CTNGQTDRSA-N 304.437 4.608 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(Cl)cc1 1191156990 POINFRWRPDBDCL-MOPGFXCFSA-N 310.828 4.612 30 20 DJED N#Cc1ccc(C2CCN(CC3CCC(F)(F)CC3)CC2)cc1 1207349202 KIGQRCBBUYTEPN-UHFFFAOYSA-N 318.411 4.563 30 20 DJED Cc1ccc(C(=O)NC(C)(C)CC2CCCCCC2)cc1C#N 1269336456 ILWICDNNTXKHLJ-UHFFFAOYSA-N 312.457 4.736 30 20 DJED CC[C@@H](C)c1ccc([C@@H](NC(=O)CC(C)(C)C#N)C(C)C)cc1 1348940580 UVKLJPYVMQMDFG-BEFAXECRSA-N 314.473 4.953 30 20 DJED Cc1c(C#N)cccc1C(=O)Nc1ccc(CCC(C)C)cc1 1357437633 KCRJKONBXQDTEK-UHFFFAOYSA-N 306.409 4.708 30 20 DJED C[C@@H](CCC(=O)O[C@H](C)c1cccc(C#N)c1)c1ccccc1 1435509801 RMZRDEKFXAUDFZ-JKSUJKDBSA-N 307.393 4.746 30 20 DJED CCCCN(Cc1ccc(F)cc1C#N)[C@@H](C)c1ccc(C)o1 1459434902 GIMVVSJETSXMGP-HNNXBMFYSA-N 314.404 4.962 30 20 DJED CCOc1ccc(C#N)cc1NCc1c(C)cc(Cl)cc1C 1462068897 BJUPPQFIZJATGY-UHFFFAOYSA-N 314.816 4.839 30 20 DJED CC[C@@H](C)C[C@@H](C)Nc1nc2c(c(C#N)c1C#N)CCCCCC2 1472707134 YXCFMOLNXNSRQD-HUUCEWRRSA-N 324.472 4.721 30 20 DJED CN(Cc1cccc(C#N)c1)[C@H]1CC[C@](C)(c2ccccc2)C1 1474401419 NHLPFWLZJSBTID-SFTDATJTSA-N 304.437 4.500 30 20 DJED CC(C)c1ccc(O[C@@H](C)CNc2cccc(F)c2C#N)cc1 1559186903 ZCJXKKVTXLKJLC-AWEZNQCLSA-N 312.388 4.700 30 20 DJED CC[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cccc(C#N)c1F 1559566165 ZFHLFQCWMGEBOB-UXHICEINSA-N 322.427 4.856 30 20 DJED COc1cc(C#N)ccc1CN(CC(C)C)c1ccc(C)cc1C 1559970101 BTEKTOSCOWCIDR-UHFFFAOYSA-N 322.452 4.846 30 20 DJED CC(C)c1cnc(SCc2ccc(F)cc2C#N)n1C1CC1 1613562390 MGUZZKFVNAEFFO-UHFFFAOYSA-N 315.417 4.644 30 20 DJED N#Cc1cc(F)ccc1CN1CCC[C@H]1CCC1CCCC1 1616356754 NSEHFFZVAWTVGK-IBGZPJMESA-N 300.421 4.632 30 20 DJED CC(C)c1cnc(SCc2ccc(CC#N)cc2)n1C1CC1 1643721314 OKQXMJBBJKLBCN-UHFFFAOYSA-N 311.454 4.700 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@@]1(C)Cc1ccccc1F 1646391326 HMMLJAURDFJENB-NRFANRHFSA-N 322.427 4.603 30 20 DJED CC1(C)C[C@H](c2ccccc2)N(C(=O)Nc2ccc(C#N)cc2)C1 1666343758 ZEBQNENZGZHZAO-GOSISDBHSA-N 319.408 4.563 30 20 DJED Cc1csc(NC(=O)N[C@H](CCC(C)C)C(C)(C)C)c1C#N 1677351380 IRTSYQQHUHFCLF-CQSZACIVSA-N 321.490 4.901 30 20 DJED C[C@@H]1C[C@H]1c1ccc(CN(CC(C)(C)CCC#N)C2CC2)o1 129865023 BYEVSUUGIJJOHL-RHSMWYFYSA-N 300.446 4.697 30 20 DJED CC(C)(C#N)c1ccccc1CNc1ccc2c(c1)C(=O)CCC2 131832530 CSWLMQKGVSOBBL-UHFFFAOYSA-N 318.420 4.619 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCC#Cc1ccc(F)cc1 135576019 QQTBQMDOUUVAQH-HNNXBMFYSA-N 324.424 4.684 30 20 DJED C[C@@H](NCc1ccccc1C#N)c1cccc(Cl)c1Cl 162763461 MZNNORCCXUGVHV-LLVKDONJSA-N 305.208 4.716 30 20 DJED N#C[C@@H]1CCC[C@H](Nc2cccc(C3SCCS3)c2)C1 185736539 NYBJRPMEOCESJS-OCCSQVGLSA-N 304.484 4.659 30 20 DJED O=C1/C(=C\c2cccnc2)CCc2cc(SC(F)F)ccc21 254982175 PDRZSCMOLWACFS-JYRVWZFOSA-N 317.360 4.609 30 20 DJED O=C(/C=C\c1cccc(/C=C/C(=O)c2ccco2)c1)c1ccco1 255427465 QNPLJKHUSPNCGV-PNQPDEHRSA-N 318.328 4.665 30 20 DJED C[C@@H](N[C@H]1CC2(CCC2)Oc2ccccc21)c1ccc(C#N)cc1 268815233 PRPFEPCPOZHKPB-BEFAXECRSA-N 318.420 4.655 30 20 DJED Cc1csc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1Cl 276591675 ORAIUSBWALNHEE-UHFFFAOYSA-N 318.829 4.763 30 20 DJED CCC[C@@H](CC)SCC(=O)Nc1ccccc1SCC#N 279963851 OCNIFKPUYYWMPX-CYBMUJFWSA-N 322.499 4.553 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1ccccc1CCC(F)(F)F 281323293 JIICXYMGRHJLRJ-CYBMUJFWSA-N 314.351 4.658 30 20 DJED CC[C@@H](c1ccccc1)N(CC)CCCC1(C#N)CCOCC1 282127581 YKQSKNJJNJDUKY-IBGZPJMESA-N 314.473 4.560 30 20 DJED CC(C)CCSc1cc(Br)c(C#N)cc1F 309182443 CWFMAJYGBYFEDN-UHFFFAOYSA-N 302.212 4.598 30 20 DJED CC(C)Oc1ccccc1[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 320015058 FJZGSMLFBYUAIU-HOTGVXAUSA-N 308.425 4.757 30 20 DJED N#CCCCOc1cccc(N[C@H]2CCc3c(F)cccc32)c1 322182556 PXMKDWLQSSOWAB-IBGZPJMESA-N 310.372 4.608 30 20 DJED C[C@H](/N=C(/O)CC[C@@H]1CCCCO1)c1ccc2ncsc2c1 330119589 FYPTZQFGOXRIGO-JSGCOSHPSA-N 318.442 4.663 30 20 DJED C=CC[C@H](CC)NC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 346601714 JKEGBSJQHKMNIN-GXTWGEPZSA-N 324.877 4.531 30 20 DJED CC(C)(C)c1ccc(C(=O)Nc2sccc2C#N)cc1Cl 463101422 GVWZGPSBKDLIRX-UHFFFAOYSA-N 318.829 4.823 30 20 DJED N#C[C@@H]1CCC[C@H](NCCSCc2cccc3ccccc23)C1 463290920 LUGVTNMZBMNGAQ-APWZRJJASA-N 324.493 4.745 30 20 DJED C=CC[C@H](C(=O)N(C)c1ccc(SC)cc1)c1ccccc1 488812524 FAEFOXOYVCVICR-SFHVURJKSA-N 311.450 4.731 30 20 DJED N#Cc1ccc(SCc2cc(F)ccc2Br)cc1 517158277 JLOCOIMVJOHZLQ-UHFFFAOYSA-N 322.202 4.752 30 20 DJED C=C(C)CN(CC)C(=O)N[C@@H](c1ccccc1Cl)C(C)C 523779370 DBBIUQPHMCXRBJ-MRXNPFEDSA-N 308.853 4.645 30 20 DJED C[C@@H]1OCC[C@@H]1SCc1ccc(-c2ccccc2C#N)cc1 533626105 JGFHFGIMBLJSSV-LIRRHRJNSA-N 309.434 4.636 30 20 DJED Cc1ccccc1-c1cnc(CSc2ccccc2C#N)o1 535259469 DMRAGWBNTYFRCO-UHFFFAOYSA-N 306.390 4.814 30 20 DJED Cc1ccc([C@H]2CCCCCN2Cc2cc(C#N)cs2)o1 537618132 OCSRPRRQFOVRBE-MRXNPFEDSA-N 300.427 4.639 30 20 DJED CC(C)CCOc1ccccc1CN[C@H](C)c1cccc(C#N)c1 539666960 UZCYLYHJFYXWPB-QGZVFWFLSA-N 322.452 4.834 30 20 DJED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(-c2cccc(C#N)c2)cc1 549544958 RUYZSPHXEZZCAV-WJPUGNRLSA-N 315.420 4.568 30 20 DJED Cc1c(N[C@H](C#N)Cc2ccccc2)cccc1C(F)(F)F 610752218 DFKDJZLPHJZUJE-AWEZNQCLSA-N 304.315 4.561 30 20 DJED C=CCN(CC1CCCCC1)C(=S)N[C@H]1CCCC[C@H]1C 732625978 WSAXXTHAVLAENG-WBVHZDCISA-N 308.535 4.508 30 20 DJED CCCCCCCC(=O)N1CCC(Oc2ccc(C)cc2)CC1 735015486 KGLFMZYSAVNWDD-UHFFFAOYSA-N 317.473 4.725 30 20 DJED O=C(/C=C/c1cccc(F)c1)c1ccc(-c2ccncc2)cc1 745989955 IEERSGSASDAQQG-RUDMXATFSA-N 303.336 4.784 30 20 DJED CC(=NNc1ccc(C(F)(F)F)cc1)c1nc(C)sc1C 746579708 WJFFOPRJCKFHNS-UHFFFAOYSA-N 313.348 4.615 30 20 DJED CCCCCCCCC(=O)N(CC(F)(F)F)c1ccccn1 751108859 VQJGPODQPGVRSJ-UHFFFAOYSA-N 316.367 4.728 30 20 DJED C#CC[C@H](NC(=O)Nc1cccc(C(F)F)c1)c1ccccc1 757878527 FDQGBYGEQKZBGW-INIZCTEOSA-N 314.335 4.510 30 20 DJED C=CC[C@@H](N[C@H](C)c1ccc(N(C)CC)cc1)c1ccncc1 766020952 RPTCWWAZYDDCKX-OXQOHEQNSA-N 309.457 4.506 30 20 DJED CC[C@@H](C)N(Cc1ccccc1)Cc1ccc(O[C@H](C)C#N)cc1 768192662 BDLCJPCUOMXEKV-QZTJIDSGSA-N 322.452 4.778 30 20 DJED CCc1noc(C)c1C(C)=NNc1c(Cl)cccc1Cl 769821223 USPWUCIPIIJLTO-UHFFFAOYSA-N 312.200 4.688 30 20 DJED CCCC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(OCC#N)cc1 776155370 FBZCJQFEYWZKSM-WDYCEAGBSA-N 300.446 4.598 30 20 DJED CC(=NOc1ccccc1C(F)(F)F)C1CCSCC1 777442759 DJSPWOINJUQDAH-UHFFFAOYSA-N 303.349 4.603 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1)[C@@H]1C[C@H]1c1ccc(Cl)s1 788577493 PZQZULHOFBOJNC-BYCMXARLSA-N 316.857 4.555 30 20 DJED CC(C)c1ccc(N(C)C(=O)c2cc(C#N)ccc2Cl)cc1 797275796 NYIWZURBCUHBAE-UHFFFAOYSA-N 312.800 4.612 30 20 DJED COc1cc(C)ccc1C(=O)/C=C\c1ccc(OC(F)F)cc1 797280115 ZTHSGNPAJACWJD-POHAHGRESA-N 318.319 4.501 30 20 DJED C=CCCCCC[C@@H](C)N[C@H](C(=O)O)c1cc(C)cc(C)c1 901532941 YMNIOWYWWGCKPD-AEFFLSMTSA-N 303.446 4.544 30 20 DJED CCC(=NNc1ccc(F)cc1)c1ccc(OC(F)F)cc1 916581693 MLGDYSZVFDMFCL-UHFFFAOYSA-N 308.303 4.653 30 20 DJED Clc1ccccc1CNN=Cc1c(Cl)cccc1Cl 918152941 PEYPUYUJOYZMJD-UHFFFAOYSA-N 313.615 4.771 30 20 DJED N#C[C@@H](C(=O)C=C1CCCC1)c1nc2cc(Cl)ccc2s1 918492125 MSGQDHPFHFTIMM-LBPRGKRZSA-N 316.813 4.626 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1ccc(C)c(Cl)c1Cl 1116822291 UGSBRXNMQXAOBX-NSHDSACASA-N 313.228 4.874 30 20 DJED Cc1cccc(C)c1CN1CCC(c2ccc(C#N)cc2)CC1 1137852524 FJBUKKKJUDMPFR-UHFFFAOYSA-N 304.437 4.555 30 20 DJED Cc1cccc(C2=CCN(CCC3(C#N)CCCCC3)CC2)c1 1192556876 HUXVREYCARNXNC-UHFFFAOYSA-N 308.469 4.948 30 20 DJED C[C@H]1C[C@@H](C(=O)N(c2ccccc2C#N)C2CCC2)CC[C@H]1C 1279123040 VOINQCLJUIPRMP-PMPSAXMXSA-N 310.441 4.516 30 20 DJED C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)Cc1cccc(C#N)c1 1307521739 MRDMIPWACZQRBL-LSDHHAIUSA-N 312.844 4.836 30 20 DJED COc1cc(O)ccc1/C=C/C(=O)c1ccc(C(C)(C)C)cc1 1317743126 HDTVAXGVMCEFCV-XYOKQWHBSA-N 310.393 4.594 30 20 DJED CC[C@H](C)c1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1 1457188376 AKOFDZMTBQHBHS-GJZGRUSLSA-N 307.393 4.990 30 20 DJED Cc1cc(S[C@@H]2CCCc3ccccc3C2=O)ccc1C#N 1459141375 JXAXKWTUUVXLDQ-GOSISDBHSA-N 307.418 4.547 30 20 DJED Cc1cc(C(=O)Nc2sccc2C#N)sc1-c1ccccc1 1523570330 HXKWOVROORFONO-UHFFFAOYSA-N 324.430 4.909 30 20 DJED C[C@@H](CCC(C)(C)C)C(=O)N(c1ccccc1C#N)C1CCC1 1532033602 OUWDNDVPGOPIGC-HNNXBMFYSA-N 312.457 4.906 30 20 DJED CC(C)c1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)cc1Cl 1535479024 KMLIARCBTJWJNQ-JSGCOSHPSA-N 305.805 4.703 30 20 DJED CCC[C@@H](CCc1ccccc1)Nc1ccc(Cl)c(C#N)n1 1612023804 XFNACDNLVHRUGN-HNNXBMFYSA-N 313.832 4.820 30 20 DJED C[C@@H]1c2ccc(F)cc2CCN1CCC1(C#N)CCCCC1 1644386038 KADMMFNKNDHTSS-OAHLLOKOSA-N 300.421 4.609 30 20 DJED Cc1nc(N2CCC[C@H]2CCC2CCCC2)c(Cl)cc1C#N 1651641035 FBXQBOXNDUSLSL-INIZCTEOSA-N 317.864 4.854 30 20 DJED C[C@H](CCC#N)CN(Cc1ccccc1F)C1CCCCC1 1651768022 QKUQDQKZLAASJK-MRXNPFEDSA-N 302.437 4.900 30 20 DJED CC(C)CN(C/C=C\c1cccc(F)c1)Cc1ccc(C#N)cc1 1657409135 KWHNAPYFMRWEFX-XQRVVYSFSA-N 322.427 4.869 30 20 DJED CN(Cc1cc(Cl)cc(Cl)c1)Cc1cccc(F)c1C#N 1663924053 LSFCHFUQLYHMOM-UHFFFAOYSA-N 323.198 4.636 30 20 DJED N#Cc1ccc(NCc2ccc(Br)cc2Cl)cc1 133319193 GRUJZCLXBINVHG-UHFFFAOYSA-N 321.605 4.586 30 20 DJED Cc1ccc(-c2nc3ccccc3n2C[C@@H](C#N)CCC#N)s1 153037971 MSWKRMPPRZVQMY-CQSZACIVSA-N 320.421 4.517 30 20 DJED CC[C@H](S[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 156404565 REIBIRKXLDXAQL-KSSFIOAISA-N 324.449 4.770 30 20 DJED CCCCOc1cccc(N[C@H](C)c2ccc(OCC#N)cc2)c1 180061943 OKJZIYCZELAARZ-MRXNPFEDSA-N 324.424 4.941 30 20 DJED N#CCCCCN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 183340440 MRWAMSKPJUQNJZ-GFCCVEGCSA-N 324.268 4.592 30 20 DJED CC(C)Oc1cccc(CN(C)[C@@H](C)c2ccc(C#N)cc2)c1 195732362 ATVICMTXWDHZLF-INIZCTEOSA-N 308.425 4.538 30 20 DJED C#CCCOc1ccc(CN[C@@H](c2ccccc2)C2CCC2)cc1 236686197 SBVONAPPIDJPNR-QFIPXVFZSA-N 319.448 4.720 30 20 DJED C=CCn1c(C)nnc1SCc1ccc(-c2ccccc2)cc1 301149599 WLPJNWZMCYLDGL-UHFFFAOYSA-N 321.449 4.732 30 20 DJED Cc1cc(N[C@@H](C)c2ccc(C#N)cc2)c2cc(F)ccc2n1 301642672 BVLWJHRISXOQHF-ZDUSSCGKSA-N 305.356 4.727 30 20 DJED CC(C)c1nc(CSCCCC2(C#N)CCOCC2)cs1 356948005 OPJCQWQXYHXASD-UHFFFAOYSA-N 324.515 4.600 30 20 DJED C[C@@H]1CCCN(c2ccccc2OCCCC(C)(C)C#N)C1 433607086 VFBSEJQIDLYLEQ-MRXNPFEDSA-N 300.446 4.632 30 20 DJED C=CCN(C(=O)C[C@H](C)c1c[nH]c2ccccc12)c1ccccc1 447312303 FZZVSZZJCAVRDR-INIZCTEOSA-N 318.420 4.881 30 20 DJED CC(C)c1ccc(C(=O)Nc2ccc(CC#N)cc2Cl)s1 452640594 BLOCVRNVDFNNDZ-UHFFFAOYSA-N 318.829 4.843 30 20 DJED C=CCC[C@H](C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccccc1 468764041 ANANJQYIKLUKQN-SLFFLAALSA-N 323.411 4.548 30 20 DJED N#Cc1ccc(Br)c(CSCCC(F)(F)F)c1 478754834 LCJCIBXMPIOONB-UHFFFAOYSA-N 324.165 4.506 30 20 DJED C=CCC[C@H](NC(=O)N(C)C1CCCCC1)c1ccccc1 486080045 NINXZWFHMOFGRE-SFHVURJKSA-N 300.446 4.668 30 20 DJED CCC[C@H](CC1CCCC1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 499415563 RIMHZGAELGDIJN-HNAYVOBHSA-N 312.457 4.732 30 20 DJED N#Cc1ccc(C(=O)CSc2c(Cl)cccc2Cl)cc1 505098828 OJHBSQYKHXQGSB-UHFFFAOYSA-N 322.216 4.840 30 20 DJED CN(Cc1cccc(C#N)c1)Cc1ccccc1-c1ccccc1 507242208 KJQFEOLMTOJJCZ-UHFFFAOYSA-N 312.416 4.857 30 20 DJED Cc1cccc(CCCSCCCC2(C#N)CCOCC2)c1 512328684 MACBPUKRKPTETE-UHFFFAOYSA-N 317.498 4.761 30 20 DJED C=CCCCCCN(C)Cc1nc(-c2ccc(Cl)cc2)no1 523553206 SEIJNQLRTYODMA-UHFFFAOYSA-N 319.836 4.568 30 20 DJED C[C@@H](C(=O)Nc1ccc(Cl)c(C#N)c1)c1cccc(Cl)c1 525136246 KVMRHHYPTLLTAJ-SNVBAGLBSA-N 319.191 4.607 30 20 DJED CCC(CC)N(C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CC1 531181765 WJEDUCAIMYIHBW-UHFFFAOYSA-N 313.445 4.673 30 20 DJED CC(C)(C#N)CCN[C@@H](Cc1ccccc1)c1ccccc1F 540714403 LTIYWYGPYHNLGG-IBGZPJMESA-N 310.416 4.639 30 20 DJED C=CC[C@H](C)[C@@H](C)Nc1cccc2c1CN(c1nccs1)C2 540745328 AXHPMFBZRYSADQ-UONOGXRCSA-N 313.470 4.676 30 20 DJED COc1cc(C)ccc1[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 569558604 ZMKYNNXDJUPVBF-YWZLYKJASA-N 320.436 4.604 30 20 DJED CC(C)(c1ccc(Cl)cc1)c1noc(CCCCCC#N)n1 589156248 XFEJIRPYQGWYAV-UHFFFAOYSA-N 317.820 4.675 30 20 DJED C=C(C)COc1cccc(NC(=O)[C@@H]2CCCc3ccccc32)c1 589383005 SWBQOEAOSWHPMH-HXUWFJFHSA-N 321.420 4.700 30 20 DJED CCC[C@H](NC(=O)[C@@H](C#N)CC)c1ccc(Cl)c(Cl)c1 593439572 IQXACZGAVRAHBG-YGRLFVJLSA-N 313.228 4.501 30 20 DJED C[C@H](Nc1ccn([C@H](C)c2ccccc2)n1)c1ccc(C#N)cc1 610733519 CKBHERIVZDDRBO-JKSUJKDBSA-N 316.408 4.537 30 20 DJED C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc(-c2ccccc2)cc1 622175205 AKXUQVGMGGFJOL-QGZVFWFLSA-N 322.452 4.579 30 20 DJED C=CCC[C@@H](C(=O)Nc1cc(O)c(C)cc1C)c1ccccc1 681746275 NYGSOJPXTJOEDK-QGZVFWFLSA-N 309.409 4.698 30 20 DJED C#Cc1cccc(N(Cc2cccs2)C(=O)C[C@@H](C)C2CC2)c1 728182109 VTJFMQKIYUYGRI-OAHLLOKOSA-N 323.461 4.699 30 20 DJED CCC(=NNc1ccc(F)cn1)c1ccc(Cl)c(Cl)c1 731319047 RBBNFMRBMBVLOF-UHFFFAOYSA-N 312.175 4.754 30 20 DJED C=CCN(C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(C)C 741898098 CDYFDIQSPNBQMR-GJZGRUSLSA-N 312.240 4.520 30 20 DJED Cc1c([C@@H](C)OC(=O)c2cccc(C#N)c2)oc2ccccc12 747032643 LLNTUSHZYLNYSI-CYBMUJFWSA-N 305.333 4.531 30 20 DJED CCOC(=O)c1ccc(/C=C/C(=O)c2cccc3ccccc23)o1 751514467 YEFLVTQGDGGSCS-ZRDIBKRKSA-N 320.344 4.506 30 20 DJED COc1cc(Cl)c(C=NN[C@@H](C)c2ccccc2)cc1Cl 753924897 WGGWWYVUNKVWOE-NSHDSACASA-N 323.223 4.687 30 20 DJED COc1ccc2cc(/C=C\C(=O)c3ccc(Cl)nc3)ccc2c1 759081900 CETMXKFLUSXBFA-BAQGIRSFSA-N 323.779 4.793 30 20 DJED CC(C)(C#N)CCCN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767876499 PSGHRGQFVJBREA-HNNXBMFYSA-N 324.390 4.825 30 20 DJED CCCCC[C@](C)(CC)C(=O)Nc1cccc(OCC#N)c1 780378011 VYIUJBLZYFQLCP-SFHVURJKSA-N 302.418 4.524 30 20 DJED Cc1c(C(=O)/C=C/c2sccc2Cl)cccc1[N+](=O)[O-] 782341945 MTSGVQJMHZVVRQ-AATRIKPKSA-N 307.758 4.514 30 20 DJED Cc1c(C(=O)/C=C\c2cc3ccccc3o2)cnn1C(C)(C)C 787187198 ZDMAZQZJYYNFKT-KTKRTIGZSA-N 308.381 4.589 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N1CCC[C@](C)(O)CC1 792594275 NZRNZMSNYCCHQJ-HKUYNNGSSA-N 311.510 4.527 30 20 DJED Cc1nn(C(C)C)cc1/C=C1\COc2c(cccc2C(C)C)C1=O 798370243 HMCQGFWOTGGFAC-CXUHLZMHSA-N 324.424 4.555 30 20 DJED CC(C)C(=NNc1nccnc1C1CCC1)C1CCCCC1 807992066 YTGFHPVKNIGOSI-UHFFFAOYSA-N 300.450 4.748 30 20 DJED CC(=NNc1ccc(C(F)(F)F)cc1)c1ccc(C)nc1C 814882159 HWAVJSJVSMKTNP-UHFFFAOYSA-N 307.319 4.553 30 20 DJED CC(CCCc1cccnc1)=NNc1cc(Cl)nc(Cl)c1 819828988 XTBULLWQAOZOMP-UHFFFAOYSA-N 323.227 4.594 30 20 DJED FC(F)(F)[C@H]1CCC[C@@H](C=NNc2ccc(Cl)cn2)C1 853435961 VGZZTGGMMZYJIZ-ZJUUUORDSA-N 305.731 4.501 30 20 DJED CCC(C#N)(CC)C(=O)Nc1ccc(-c2ccccc2)cc1F 858406876 YGEKQEUAPIELHJ-UHFFFAOYSA-N 310.372 4.761 30 20 DJED Oc1nc2ccccc2cc1/C=N\CCCSc1ccccc1 912776689 SNJVHUUXBQSVHB-ZHZULCJRSA-N 322.433 4.542 30 20 DJED CC(C)c1cccc2c1CCN(C(=O)CC1(C#N)CCCCC1)C2 1128707229 UAXZMOPAOFRYLF-UHFFFAOYSA-N 324.468 4.559 30 20 DJED Cc1cc(C)c(CNc2cc(C#N)ccc2OC(C)C)cc1C 1178900732 HHHVBZUYPHCCGP-UHFFFAOYSA-N 308.425 4.883 30 20 DJED Cc1ccnc(NCC(C)(C)c2ccc3ccccc3c2)c1C#N 1187234383 ZVURVAVHMSVUDY-UHFFFAOYSA-N 315.420 4.805 30 20 DJED Cc1cc(SCc2nc(C(C)(C)C)cs2)ccc1C#N 1189583419 OXJCFAFYOVIIOS-UHFFFAOYSA-N 302.468 4.913 30 20 DJED Cc1cc(CSCC2(C#N)CC2)ccc1N1CCCCC1 1261380483 JJOZBESLJSBRHR-UHFFFAOYSA-N 300.471 4.522 30 20 DJED CC(C)CN(C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1 1358198567 IFPQVYQIZGHPTQ-VQFNDLOPSA-N 312.457 4.620 30 20 DJED C[C@H](OC(=O)[C@@H](C)c1cc2ccccc2o1)c1cccc(C#N)c1 1457761401 VUAAWRZYDGRJTO-KBPBESRZSA-N 319.360 4.712 30 20 DJED C[C@H]1CCCC[C@H]1CC(=O)N(c1ccc(C#N)cc1)C1CCC1 1461768289 KSNXPXRMWPYKJE-RDJZCZTQSA-N 310.441 4.660 30 20 DJED CCOc1ccc(C#N)cc1N[C@H](C)[C@H](C)c1ccc(OC)cc1 1462069676 FWAVBXBOWWMOMO-LSDHHAIUSA-N 324.424 4.570 30 20 DJED CC(C)(C)[C@@H]1CN(c2c(C#N)cccc2C#N)c2ccccc21 1472771014 LGRXNQSKXOMRQA-QGZVFWFLSA-N 301.393 4.711 30 20 DJED N#Cc1nc(NCc2ccc(Cl)c(Cl)c2)ccc1Cl 1472835043 TTZGQWODNBSMMG-UHFFFAOYSA-N 312.587 4.526 30 20 DJED N#Cc1cc(Cl)cc(OCC(=O)c2ccc3ccccc3c2)c1 1473039412 GJWMHNBMQDNHOZ-UHFFFAOYSA-N 321.763 4.627 30 20 DJED CC[C@@H](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1525198612 WCKVIEPKXONLGZ-CQSZACIVSA-N 323.440 4.731 30 20 DJED C[C@H]1CCc2sc(NC(=O)C3CCCCC3)c(C#N)c2[C@H]1C 1534584119 QMTLSDILUXVKQM-RYUDHWBXSA-N 316.470 4.824 30 20 DJED Cc1ccccc1C1(C(=O)Nc2cccc(CC#N)c2)CCCC1 1543587298 RQODPXXBRWSERF-UHFFFAOYSA-N 318.420 4.512 30 20 DJED CC(C)c1cc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c2ccccc2n1 1584703783 YDDLQIMXLIOYLU-LSDHHAIUSA-N 322.408 4.597 30 20 DJED C[C@]1(CCc2ccccc2)CCN(Cc2cccc(F)c2C#N)C1 1621153766 ZCWMXWVYQJPFRW-NRFANRHFSA-N 322.427 4.542 30 20 DJED C[C@H](Cc1ccc(C(F)(F)F)cc1)Nc1cccc(C#N)c1 1621218436 HDNUKRMEJIEWDK-GFCCVEGCSA-N 304.315 4.620 30 20 DJED C=C(CNC(=O)N[C@@H](C)CCC1CCCCC1)c1ccccc1 1631634923 ZVAWTYNCRTYHRI-KRWDZBQOSA-N 314.473 4.748 30 20 DJED CC[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1OC)C(C)C 1643935738 IFLQSUJYBMYEAF-FQEVSTJZSA-N 322.452 4.929 30 20 DJED CCN(Cc1ccc(F)cc1C#N)c1ccc(Cl)cc1F 1645424550 LGWXVKLCBJHDRS-UHFFFAOYSA-N 306.743 4.516 30 20 DJED CC(C)(C)[C@H](Nc1ccc(Cl)c(C#N)n1)c1ccc(F)cc1 1651647386 GGIVMAPBBYVOFN-MRXNPFEDSA-N 317.795 4.945 30 20 DJED Cc1cccc(CCCN(CC(C)C)c2ccc(C#N)cc2)c1 1652787993 HJEIIBJPUIXRLO-UHFFFAOYSA-N 306.453 4.962 30 20 DJED O=C(O)c1ccc(F)c(/C=C\C(=O)c2cccc3ccccc23)c1 1776114631 VEQIJRFFKXSLNY-LUAWRHEFSA-N 320.319 4.573 30 20 DJED O=C(O)c1coc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 1776131577 VORMJTNNCMAFEX-ZHACJKMWSA-N 318.328 4.541 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccc(N3CCCCC3)cc2)cc1 6338297 FEQDXGLRACGMRW-NTEUORMPSA-N 305.421 4.881 30 20 DJED N#Cc1cccc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)c1 31734046 DINKMOBEKXSKJC-UHFFFAOYSA-N 324.811 4.662 30 20 DJED Cc1ccsc1C(=O)Nc1ccccc1S[C@H](C)CC#N 66801853 JYEZKDBKHOQEOW-GFCCVEGCSA-N 316.451 4.703 30 20 DJED COc1ccc2c(c1)CCC[C@H]2N[C@@H](CCC#N)c1ccccc1 90665032 FHNREWQIRGRYGK-LEWJYISDSA-N 320.436 4.707 30 20 DJED O=C1/C(=C/c2cncs2)CCc2c(Cl)sc(Cl)c21 130120357 IRLSRTMWXCDFGL-ZZXKWVIFSA-N 316.234 4.724 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1cccc(C2SCCS2)c1 135472982 ROUTXKMZYQYSNL-MRXNPFEDSA-N 307.484 4.706 30 20 DJED CC(C)(C#N)CCCSCc1nc(C(F)(F)F)cs1 155822826 GGXIGRSUHUNJTH-UHFFFAOYSA-N 308.394 4.725 30 20 DJED Cc1cc(C)cc(COc2ccc(Br)cc2C#N)c1 157465969 IGJCGKDFAYLTIN-UHFFFAOYSA-N 316.198 4.517 30 20 DJED C[C@H]1Cc2ccccc2[C@@H]1Nc1cccc(OCCCC#N)c1 179824917 XNPFMWNOKHJDNZ-MGPUTAFESA-N 306.409 4.715 30 20 DJED C[C@H]1CCCC[C@H]1CNc1ccc(C#N)c(Br)c1 228183504 GBHCSBBCVSMBEV-AAEUAGOBSA-N 307.235 4.559 30 20 DJED CC(C)(C#N)CCCC[S@@](=O)c1ccc(Cl)c(Cl)c1 232526123 YYWRZHDSMWQSJG-LJQANCHMSA-N 318.269 4.821 30 20 DJED CC[C@@H](N[C@H]1CCCOc2ccccc21)c1ccc(C#N)cc1 278902166 ZJQWJAQKMSVTEG-MOPGFXCFSA-N 306.409 4.513 30 20 DJED Cc1ccc2c(c1)[C@@H](/N=C(/O)[C@@H]1CCC[C@H](C(=N)O)C1)CCC2 329492585 ZRUKRLGHZBIAIY-UXLLHSPISA-N 314.429 4.671 30 20 DJED Cc1nc(CC2CC2)oc1/C(O)=N/[C@H]1CCCCC12CCCC2 329601773 FIIWJEFYZIOYMO-HNNXBMFYSA-N 316.445 4.743 30 20 DJED C=CCC(C)(C)C(=O)N(C)c1nc2ccc(Cl)cc2s1 410770368 DNJAOGQACULHAA-UHFFFAOYSA-N 308.834 4.515 30 20 DJED C[C@@H](NCc1ccc(F)c(Cl)c1Cl)c1ccc(C#N)cc1 432239845 HIKQAASRQVYWBN-SNVBAGLBSA-N 323.198 4.855 30 20 DJED CC(C)[C@@H](NCCCCC(C)(C)C#N)c1ccc(F)cc1F 444669631 FQCDENMUQHECLY-QGZVFWFLSA-N 308.416 4.972 30 20 DJED C=CC[C@H]1N(C(=O)Nc2cccc3[nH]ccc23)CCCC1(C)C 445240801 FWYXBSLVRJWOCG-QGZVFWFLSA-N 311.429 4.767 30 20 DJED C=CCCCCCSc1nnc(COc2cccc(C)c2)o1 447296575 QRGXXCMSIADKLV-UHFFFAOYSA-N 318.442 4.796 30 20 DJED C=CCCCC[C@@H](C)Nc1cc(NC(=O)N(C)C)ccc1C 449301987 SQBCXSJQJRSNJM-OAHLLOKOSA-N 303.450 4.635 30 20 DJED Cc1ccc(-c2cnc(CNc3ccc(Cl)c(C#N)c3)o2)cc1 467263746 ZJUBNEBCUYMYTA-UHFFFAOYSA-N 323.783 4.787 30 20 DJED C=CCC(CC=C)C(=O)N[C@H](C)c1ccccc1C(F)(F)F 467318126 MHGBLGKSLVBCOU-GFCCVEGCSA-N 311.347 4.651 30 20 DJED N#CCCN(Cc1sc2ccccc2c1Cl)CC1CC1 513746571 ZNGMVJCWLLFVKI-UHFFFAOYSA-N 304.846 4.680 30 20 DJED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC=CCC3)cc2)cc1 519026417 JGDUZNMEZWBHQA-INIZCTEOSA-N 318.376 4.645 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](Cc2ccccc2)C1 522833160 MZABQJNWRDDFNV-YLJYHZDGSA-N 304.437 4.574 30 20 DJED C=CCCCCCN(C)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 523575518 XIFVUYFINILAMD-UONOGXRCSA-N 323.839 4.787 30 20 DJED C=C(C)CN(CC)C(=O)c1ccccc1Sc1ccccc1 525649587 QRGSHDSRXXNGEB-UHFFFAOYSA-N 311.450 4.876 30 20 DJED CC[C@H](NCCSCc1ccccc1C#N)c1cccs1 536863162 MHGYHQMNNUNFQD-INIZCTEOSA-N 316.495 4.594 30 20 DJED C[C@@H]1CCC[C@H](c2noc([C@@H]3C[C@H]3c3cccc(C#N)c3)n2)C1 568732585 FERRYGHYIKPEBX-ISWURRPUSA-N 307.397 4.506 30 20 DJED C=CCC[C@@H](NC(=O)Nc1c(C)cccc1OC)c1ccccc1 580931945 SPDCHLTUNPSXDT-QGZVFWFLSA-N 324.424 4.833 30 20 DJED Cc1ccc(-c2nc(CSCc3ccc(C#N)cc3)co2)cc1 603440768 XGPXSDYSYHEDKA-UHFFFAOYSA-N 320.417 4.955 30 20 DJED CC(C)(C)C[C@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1 603742771 JOFCJIZJLWFPRB-IBGZPJMESA-N 320.436 4.660 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccnc(Cl)c2Cl)cc1C 606443716 YQNREBMVIIDMCO-WAYWQWQTSA-N 306.192 4.901 30 20 DJED C[C@H]1CCC[C@@H](C(=O)N(Cc2ccco2)c2ccccc2C#N)C1 610171039 GJSOSJSHIYPGPJ-JKSUJKDBSA-N 322.408 4.511 30 20 DJED CC(C)C[C@H](C#N)NC(=O)c1ccccc1Sc1ccccc1 611251041 MQYIUPDGOVKLEU-OAHLLOKOSA-N 324.449 4.506 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NC1(c2ccc(F)cc2)CCC1 611470542 QOBLPUBADAQFCX-FQEVSTJZSA-N 320.411 4.744 30 20 DJED CC(C)(C#N)CNC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 611696714 GTFYDYAKLKKWPG-UHFFFAOYSA-N 324.424 4.524 30 20 DJED C=CCCN(C)C(=O)c1cc2cc(C(F)(F)F)ccc2s1 613842083 ALSLFZLOOHKDTQ-UHFFFAOYSA-N 313.344 4.568 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc(F)cc1NC1CC1)c1ccccc1 677566498 FVOCRNMDTRQRQS-AWEZNQCLSA-N 324.399 4.698 30 20 DJED C[C@@H]1C[C@@H](CC(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)CC(C)(C)C1 727624666 AYZNUMQQKHUVBW-QLFBSQMISA-N 323.440 4.592 30 20 DJED Cc1[nH]c2ccccc2c1C(=O)/C=C\c1cc(F)c(F)c(F)c1 727973984 FEYDDISVWUQYJM-SREVYHEPSA-N 315.294 4.790 30 20 DJED CCC(Cc1cccs1)=NNc1ccc(C(F)(F)F)cn1 730946243 MZVUJPDDHUIGQB-UHFFFAOYSA-N 313.348 4.583 30 20 DJED CCC/C=C\C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 735208554 ZLMIKJHXTATMIM-YVACAVLKSA-N 310.422 4.651 30 20 DJED CSc1ccc(C(=O)/C=C\c2ccc(F)cc2F)cc1F 741846322 DCQHSVMCIAZYKS-UTCJRWHESA-N 308.324 4.722 30 20 DJED CC(C)c1nc(C#N)c(NN=C2CCCC[C@@H]2c2ccccc2)o1 745612461 XOJRIILECJSELI-OAHLLOKOSA-N 322.412 4.795 30 20 DJED Cn1cc(C=NOc2ccccc2C(F)(F)F)c2ccccc21 755814927 CCSZPJXCMIOMOJ-UHFFFAOYSA-N 318.298 4.610 30 20 DJED CC(CCc1ccsc1)=NNc1ccc(OC(F)F)cc1 764912109 SECFRGFPXMIJFX-UHFFFAOYSA-N 310.369 4.770 30 20 DJED C=C(CN[C@@H](C)c1cnn(-c2ccccc2)c1C)c1ccccc1 765414945 DFNOKGQVYPLLRV-KRWDZBQOSA-N 317.436 4.545 30 20 DJED C=CC[C@H](N[C@H](CC)c1ccc(F)cc1F)c1ccncc1 766018480 IAQOIEVFWZCJQD-MSOLQXFVSA-N 302.368 4.718 30 20 DJED C#Cc1cccc(N(C(=O)c2ccc(F)c(Cl)c2)C(C)C)c1 769201709 IIKHCHUUKGZSIE-UHFFFAOYSA-N 315.775 4.516 30 20 DJED C#CC[C@@H](N[C@@H](CC)c1cc(C)ccc1OC)c1ccccc1 773116318 QYTBVQLHPWXMMR-VQTJNVASSA-N 307.437 4.809 30 20 DJED C#CCCCCC(=O)N(c1ccccc1)[C@H](C)c1ccccc1 776310747 HZMCUGFMOLAQJP-GOSISDBHSA-N 305.421 4.974 30 20 DJED C#CCCCCCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 777211458 ZVMMZUOGBIQHFJ-NJYVYQBISA-N 323.480 4.755 30 20 DJED N#Cc1ccc(SCCCCCCCO)cc1C(F)(F)F 782239484 YAQWKGTWUVEOCL-UHFFFAOYSA-N 317.376 4.612 30 20 DJED Cn1cc(/C=C\C(=O)c2cccc(F)c2)c(C2CCCCC2)n1 783697270 NWBHVUDRLWVVJZ-KHPPLWFESA-N 312.388 4.503 30 20 DJED CCCCCC[C@@H](C)CC(=O)[C@H](C#N)c1cnc2ccccc2n1 792107475 GMWHEIAISPAWHC-HZPDHXFCSA-N 323.440 4.803 30 20 DJED CCCNc1ccc(C#N)cc1NCc1cccc2cccnc12 795267517 ZZRDLQSZGWFYGF-UHFFFAOYSA-N 316.408 4.540 30 20 DJED CC(C)c1c(Cl)ncnc1NN=C1CC[C@@H]1c1ccccc1 797405282 ZSFKPIOTEQFJIS-CYBMUJFWSA-N 314.820 4.599 30 20 DJED O=C(/C=C/c1cc(F)c(F)cc1F)c1nccc2ccccc12 811699818 XKMZXUKOHPXTJO-AATRIKPKSA-N 313.278 4.548 30 20 DJED CC(CCCCC#N)=NNC(=S)Nc1ccccc1C(C)C 841623259 DWORDMKYUWOUOV-UHFFFAOYSA-N 316.474 4.556 30 20 DJED CC(C)Oc1ccc(C(=O)/C=C\c2ccc(F)cc2F)cc1 916131571 ZDZGVDKZJHBUCB-POHAHGRESA-N 302.320 4.648 30 20 DJED N#Cc1cccc(C(=O)/C=C\c2csc(-c3ccsc3)n2)c1 920069277 XKMNEHSNTJGFKX-PLNGDYQASA-N 322.414 4.639 30 20 DJED Cc1cc(CN2C[C@@H](C)C[C@H]2c2ccccc2F)ccc1C#N 1179938425 URVBUROOPMJDNV-XOBRGWDASA-N 308.400 4.589 30 20 DJED CC(C)(C#N)CC(=O)NC(C1CCCCC1)C1CCCCC1 1288256330 YQRIHGXUIGCLCT-UHFFFAOYSA-N 304.478 4.572 30 20 DJED C[C@H](OC(=O)c1ccc(-c2cccs2)s1)C(C)(C)C#N 1342580161 ILKALDMLIVOJEB-JTQLQIEISA-N 305.424 4.572 30 20 DJED N#Cc1cccc(NC(=O)c2ccc(-c3cccc(F)c3)s2)c1 1350657172 BVPAJXCHXNCJNY-UHFFFAOYSA-N 322.364 4.678 30 20 DJED C[C@@H](OC(=O)c1ccc(F)c2ccccc12)c1ccc(C#N)cc1 1361169113 WCTZCHYQVCOXFZ-CYBMUJFWSA-N 319.335 4.769 30 20 DJED C[C@H](SCC1(C)CCCCC1)C(=O)Nc1cccc(C#N)c1 1459087632 WNLIIZAZMPXBMA-AWEZNQCLSA-N 316.470 4.589 30 20 DJED Cc1cccc(-c2ccc(NCc3ccc(C#N)c(C)c3)nc2)c1 1461644166 QFWMTOCJNQGGLS-UHFFFAOYSA-N 313.404 4.849 30 20 DJED Cc1cc(SCc2ccccc2OC(F)F)ccc1C#N 1473048880 FGLUNVZTIMSVDN-UHFFFAOYSA-N 305.349 4.760 30 20 DJED Cc1ccccc1CN(Cc1ccc(Cl)cc1C#N)C1CC1 1559504317 RFRSLTNCUVQHAU-UHFFFAOYSA-N 310.828 4.685 30 20 DJED CC1(C)CCCN(Cc2ccc(-c3ccsc3)cc2)[C@H]1C#N 1617734983 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CC[C@H](C)N(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H](C)CC 280223649 BKDCTAHKKJENPN-GJZGRUSLSA-N 300.446 4.527 30 20 DJED N#Cc1cc(F)c(N[C@@H]2CCSc3ccc(F)cc32)c(F)c1 302431448 LHZZHWFSPQXYTF-CQSZACIVSA-N 320.339 4.625 30 20 DJED CCCCCCCC(=O)Nc1ccc(Cl)cc1NC(C)=O 303248745 FCJDOQIHGMIBHF-UHFFFAOYSA-N 310.825 4.597 30 20 DJED C=CCCNc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 303822651 KINYIEZXLRQEIA-FQEVSTJZSA-N 320.436 4.652 30 20 DJED N#CCCSc1ccccc1NC(=O)c1cccc(Cl)c1 341817737 IHNMIZWTUYIZBK-UHFFFAOYSA-N 316.813 4.598 30 20 DJED CC(C)N(C(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1 355811908 LMJAARRTKSAYEB-SFHVURJKSA-N 306.409 4.516 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1cnc2ccccc2c1 410321203 YZPMYMNIRRCEGL-UHFFFAOYSA-N 315.420 4.519 30 20 DJED C=CCC(C)(C)c1nc(Cc2c[nH]c3cc(Cl)ccc23)no1 426450372 MCGJJRVDDVDZAF-UHFFFAOYSA-N 315.804 4.649 30 20 DJED C=CCC[C@@H](NC(=O)Nc1ccccc1N(C)C)c1ccccc1 435666674 AOWNDNVBDJRZRX-QGZVFWFLSA-N 323.440 4.582 30 20 DJED C=CCC[C@H](NC(=O)N(C1CC1)[C@H](C)C1CC1)c1ccccc1 435763249 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N#Cc1cccc(NC(=O)N[C@H](CC2CCC2)c2ccccc2)c1 1202798706 MCSDSZZMOOACBQ-LJQANCHMSA-N 319.408 4.611 30 20 DJED Cc1cc(C#N)cc(NC(=O)N2CCCC[C@H]2CCC(C)C)c1 1206306291 XDPADNQSGUPVMV-SFHVURJKSA-N 313.445 4.689 30 20 DJED N#Cc1cccc(CN2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)c1 1307698827 QKTDPFIEYGAVMR-VSKRKVRLSA-N 316.448 4.716 30 20 DJED N#CCOc1ccc(N[C@@H](CC2CCC2)c2ccccc2)cc1 1319863581 LSOSZZVJAULSLQ-FQEVSTJZSA-N 306.409 4.932 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc(C(F)F)c1 1324333536 DFSOKFVFSMJSOM-SFHVURJKSA-N 312.363 4.663 30 20 DJED C[C@@H]1C[C@@H](NC(=O)C2(C#N)CCCCC2)C[C@H](c2ccccc2)C1 1436711865 JQDZUEGLYTTYCI-QXAKKESOSA-N 324.468 4.549 30 20 DJED CC[C@@H](Cc1ccc(C)cc1)N(CC)Cc1ccc(C#N)s1 1459549371 JXLGLSZBZBRLBS-KRWDZBQOSA-N 312.482 4.771 30 20 DJED Cc1c(C#N)cccc1NC(=O)N[C@H]1CCC[C@H](C(C)C)CC1 1465873437 WWZUCFGMLOTZAE-RDJZCZTQSA-N 313.445 4.593 30 20 DJED CC(C)c1ccc2c(c1)[C@@H](Nc1nc(C#N)c(Cl)s1)CC2 1472764357 FLHXLIGIXWFVPD-ZDUSSCGKSA-N 317.845 4.891 30 20 DJED 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PGXWIVQGCKDZNG-UHFFFAOYSA-N 302.780 4.740 30 20 DJED CC[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(C#N)c(Cl)c1 1657862221 LGHCFZVKAVVHNA-MLGOLLRUSA-N 319.836 4.644 30 20 DJED C[C@@H](CCC#N)CN1CCc2c(Cl)cc(Cl)cc2[C@H]1C 1663672058 MINFWVAYLRNSQW-NWDGAFQWSA-N 311.256 4.852 30 20 DJED CCSc1cccc(CN(Cc2ccc(C#N)cc2)C2CC2)c1 1664006535 BNDDEIWXJQMQMS-UHFFFAOYSA-N 322.477 4.835 30 20 DJED C[C@H](CCC#N)CN(CCc1ccccc1)CCC(C)(C)C 1665528651 IXLYZKUTIFBYCU-GOSISDBHSA-N 300.490 4.907 30 20 DJED C=C(Cl)CNC(=O)N[C@@H](c1ccc(CCCC)cc1)C(C)C 1666579701 GBPWINVDVGHTAE-QGZVFWFLSA-N 322.880 4.778 30 20 DJED CC[C@H]1CCCC[C@@H]1C=NNc1ccc(Cl)c(C(=O)O)c1 1776034000 FMWXJIOAYSKRDZ-NWDGAFQWSA-N 308.809 4.652 30 20 DJED CN(Cc1cc(C#N)ccc1F)Cc1c(Cl)cccc1Cl 30209708 BCNBKFQJJLXBJZ-UHFFFAOYSA-N 323.198 4.636 30 20 DJED C=CCOc1ccccc1CN[C@@H](C)c1ccc(Cl)cc1 34992792 DRNFWHQMGONPRY-AWEZNQCLSA-N 301.817 4.756 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(OCC)cc1C 48143795 WRPXVWUOUSPYBW-UHFFFAOYSA-N 324.424 4.614 30 20 DJED CCCN(CCCC#N)[C@H](C)c1ccccc1Br 71954111 JMGKGNJJMMKUGM-CYBMUJFWSA-N 309.251 4.526 30 20 DJED CCCOc1cc(C)ccc1NCc1ccc(O[C@@H](C)C#N)cc1 119867723 ZECZTBZAQQHABQ-INIZCTEOSA-N 324.424 4.687 30 20 DJED Cc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)c(OCC2CC2)c1 124806622 CFDPCNHTWSYSCF-INIZCTEOSA-N 320.436 4.506 30 20 DJED C=CCn1c(S[C@H](C)c2cccc(Cl)c2)nnc1C1CC1 124906742 UXYRXYSJCDJIRO-LLVKDONJSA-N 319.861 4.848 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC/C(Cl)=C/Cl 127926949 NQILJANOVSPQRA-OYUORYAFSA-N 301.242 4.669 30 20 DJED CC1(C)Cc2cccc(CN[C@H](CCC#N)c3ccccc3)c2O1 130548831 ZNYYELVEYLIVNX-LJQANCHMSA-N 320.436 4.535 30 20 DJED C=CCC[C@H](NCc1nc(-c2ccccc2)no1)c1ccccc1 180034723 XBRYUQJHTNDQRT-SFHVURJKSA-N 319.408 4.534 30 20 DJED Cc1cccc(NC(=O)CS[C@H](C)c2cccc(C#N)c2)c1C 190896432 DMKJHCZQYMGJKG-OAHLLOKOSA-N 324.449 4.608 30 20 DJED Cc1ccccc1[C@@H](C)SCCCC1(C#N)CCOCC1 280908040 AABJLYRGYWHHFB-MRXNPFEDSA-N 303.471 4.890 30 20 DJED Cc1cccc([C@@H]2CCCN2c2snc(Cl)c2C#N)c1C 301950490 GUFFSEBBLNDEQW-AWEZNQCLSA-N 317.845 4.627 30 20 DJED CC(C)c1nnc(C/N=C(/O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)s1 328745369 ACUPQXTZZHOITG-BFHYXJOUSA-N 321.490 4.725 30 20 DJED CC[C@H](N[C@@H]1CCCc2ccc(C)cc21)c1ccc(C#N)cc1 352612090 MREMKMKAWCZGMP-LEWJYISDSA-N 304.437 4.985 30 20 DJED Cc1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 424573635 ISWBISLBMVSJND-MOPGFXCFSA-N 318.420 4.538 30 20 DJED C=CC(C)(C)C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C 448778122 RZVUXNSICYJKJK-CYBMUJFWSA-N 314.454 4.508 30 20 DJED COc1ccc(C2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 466739458 LXOBJAWDOFNDGN-INIZCTEOSA-N 320.436 4.507 30 20 DJED C=CCC(CC=C)C(=O)Nc1sc(C)nc1-c1ccccc1 467821042 BBMHFGMZIOLYAM-UHFFFAOYSA-N 312.438 4.825 30 20 DJED Cc1ccccc1C1(C(=O)Nc2ccc(C#N)cc2Cl)CCC1 472554388 NCPYQNPEHXLSDA-UHFFFAOYSA-N 324.811 4.581 30 20 DJED C[C@@H](Nc1ccc(Oc2ccccc2)c(C#N)c1)[C@@H]1CCCOC1 474922140 GDCHTHCUGNILRP-HZPDHXFCSA-N 322.408 4.578 30 20 DJED Cc1cccc(C)c1[C@@H](C)NC(=O)C[C@H](CC#N)c1ccccc1 476689536 MHGGGEJSHLSZQA-MJGOQNOKSA-N 320.436 4.568 30 20 DJED C=CCCC1(C(=O)Nc2ccc(CNc3ccccc3)cc2)CC1 480222408 HCCXBOWYFIKRMQ-UHFFFAOYSA-N 320.436 4.984 30 20 DJED CCc1cc(C#N)c(NC(=O)c2ccc(F)c3ccccc23)s1 483348192 WBJCJNRVUJEMRZ-UHFFFAOYSA-N 324.380 4.727 30 20 DJED C=CC[C@H](C(=O)N1CC[C@@H](c2cccc(F)c2)C1)c1ccccc1 488319196 YMTALIIBXOMJTG-QUCCMNQESA-N 323.411 4.502 30 20 DJED C=C(C)[C@H](NC(=O)N(CC)C1CCCC1)c1ccc(F)c(F)c1 502016714 KNDCGKUWAVFFIC-KRWDZBQOSA-N 322.399 4.556 30 20 DJED CN(Cc1ccc(C#N)cc1)Cc1ccccc1-c1ccccc1 507238710 XBVPVIWIYCKRNM-UHFFFAOYSA-N 312.416 4.857 30 20 DJED N#CC1(CCCSC/C=C\c2ccccc2)CCOCC1 507521424 YAVWJRDGWRHYIG-YWEYNIOJSA-N 301.455 4.534 30 20 DJED CCCc1cc(C(=O)N(CC)c2ccc(C#N)cc2)sc1C 510431933 XOOYGCQQZPUHGL-UHFFFAOYSA-N 312.438 4.547 30 20 DJED Cc1cccc([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCC3)c1 523512601 IKAKIJBDZMPYSY-ZDUSSCGKSA-N 324.449 4.549 30 20 DJED C=C[C@H](CC(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 536218854 DVWXAYXSMRAZCD-CYBMUJFWSA-N 315.800 4.647 30 20 DJED C=CCN(C(=O)N[C@H](c1ccc(Cl)cc1F)C(C)C)C1CC1 541918424 AXEYWVIQVRGALT-INIZCTEOSA-N 324.827 4.536 30 20 DJED C[C@@H](NCCCC#N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 542498522 YAQXKXHVPZTLNQ-SECBINFHSA-N 324.268 4.679 30 20 DJED CC(C)(C#N)CCN[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 580228425 CVBOUJXKBOTBLT-LBPRGKRZSA-N 322.733 4.612 30 20 DJED CC(C)c1ccc(C(C)(C)NC(=O)CCCCCC#N)cc1 588923904 ULPGRUCKIXJMJR-UHFFFAOYSA-N 300.446 4.635 30 20 DJED CC(C)CN(CCCC(C)(C)C#N)CCc1ccc(F)cc1 610447538 KFIVVGXCSJGHFI-UHFFFAOYSA-N 304.453 4.656 30 20 DJED COc1ccc2oc(C(=O)/C=C\c3ccccc3OC)c(C)c2c1 729151911 YDFIDCGTQUTQMS-NTMALXAHSA-N 322.360 4.655 30 20 DJED C[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1csc2ccccc12 729987331 XKABPRPJSKOYQW-NSHDSACASA-N 323.377 4.854 30 20 DJED Cc1ccc(-c2n[nH]cc2/C=C2\Cc3ccc(C)cc3C2=O)cc1 730949359 ULMIAMGIGRZYSX-GZTJUZNOSA-N 314.388 4.516 30 20 DJED C=CCN(CC1CCCCC1)C(=S)N[C@H](C)c1cccs1 732625110 JHYHQLUJKQRQIV-CQSZACIVSA-N 322.543 4.752 30 20 DJED CCc1oc2ccccc2c1C=NNc1cc(F)c(F)cc1F 734301705 LMQVEVVVUZASTP-UHFFFAOYSA-N 318.298 4.859 30 20 DJED Cc1cccc(NC(=S)N(CC(C)C)c2ccc(C#N)cc2)c1 745687586 JZLXLBQSKFEULX-UHFFFAOYSA-N 323.465 4.726 30 20 DJED CC[C@@H](C)Oc1cc(/C=C\C(=O)c2ccc(C)o2)ccc1OC 749453321 PZWLQWNVHFQDAR-FNOHHLHBSA-N 314.381 4.670 30 20 DJED Cc1nc(C)c(C=NNc2cc(Cl)ccc2Cl)s1 751894798 ABSMDLUITVPQNS-UHFFFAOYSA-N 300.214 4.513 30 20 DJED CC[C@H](C)Oc1cc(/C=C\C(=O)c2occc2C)ccc1OC 769783998 LXEUGKHGMLGITP-QPBFKRLHSA-N 314.381 4.670 30 20 DJED CC(C)c1nccnc1NN=C1CC[C@](C)(c2ccccc2)C1 773076996 CBCXVTFCGXJPRZ-IBGZPJMESA-N 308.429 4.510 30 20 DJED CC(=NNc1cc(C(F)(F)F)ccc1F)C1CCSCC1 777442664 ACPGINVXVFOITF-UHFFFAOYSA-N 320.355 4.776 30 20 DJED Cc1ccc(CC[C@@H](C)Nc2ccccc2O[C@@H](C)C#N)cc1 780745446 PVWGRWZOFWXGOS-SJORKVTESA-N 308.425 4.719 30 20 DJED C=C[C@@](C)(CC)C(=O)OCc1csc(-c2ccsc2)n1 785757586 LLUBNOGKVGUEDV-HNNXBMFYSA-N 307.440 4.517 30 20 DJED CC(=NNc1cccc(Cl)n1)c1cccc(Cl)c1Cl 793160771 DLQHQESRHLHWQK-UHFFFAOYSA-N 314.603 4.878 30 20 DJED Cc1ccc(C)c(OC(=O)C[C@@H](CC#N)c2ccccc2)c1C 796517645 XLLOTUZMUYLJAY-GOSISDBHSA-N 307.393 4.605 30 20 DJED CCCCCCCCC(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O 799055840 SIGLSKGNNWGGJS-OKYOBFRVSA-N 323.521 4.525 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N1CC[C@H](OC)C[C@@H]1C 799423502 ZAWGMVMYRMJNDD-BZSNNMDCSA-N 311.510 4.789 30 20 DJED CC(C)c1ccc(/C=C2\C[C@@H](C(=O)O)c3ccccc3C2=O)cc1 806563549 ZFIKYCWBOOFEBN-KZIRBZLESA-N 320.388 4.648 30 20 DJED CC(C)c1nc(C#N)c(NN=C2CCC3(CCCC3)CC2)o1 811640120 NXZKGSZNVAOYQK-UHFFFAOYSA-N 300.406 4.572 30 20 DJED O=C(/C=C/c1ccc(Br)cc1F)c1cccc(F)c1 916134586 RDTDNYBBWODQQU-FNORWQNLSA-N 323.136 4.623 30 20 DJED N#CCOc1ccc(NCc2ccc(Oc3ccccc3)o2)cc1 1116512911 HXQHMHBJHLZKGE-UHFFFAOYSA-N 320.348 4.586 30 20 DJED C=CCCO[C@H](C)c1nnc([C@H](C)Oc2cccc(Cl)c2)o1 1117247495 JYERRIHFMYZDGR-NEPJUHHUSA-N 322.792 4.517 30 20 DJED C[C@H](C(=O)Nc1cccc(CC#N)c1)c1ccc2ccccc2c1 1129087947 DYHQTQXQLYUWJG-HNNXBMFYSA-N 314.388 4.648 30 20 DJED C[C@@H](NCc1ccccc1C(C)(C)C#N)C(C)(C)c1ccccc1 1168825434 IIMRYRFHBIBOIV-QGZVFWFLSA-N 320.480 4.944 30 20 DJED Cc1ccc2c(c1)[C@H](Nc1nc(C(C)(C)C)ccc1C#N)CC2 1186905481 HERQFHXIZCUBLT-QGZVFWFLSA-N 305.425 4.659 30 20 DJED Cc1ccc(CN2CCC(c3ccc(C#N)cc3)CC2)c(C)c1 1198211423 VBHZSOPABCBVMS-UHFFFAOYSA-N 304.437 4.555 30 20 DJED C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc(Cl)c(F)c1 1254215728 LEBFAIJQKXRFRI-GHMZBOCLSA-N 320.770 4.902 30 20 DJED CCCC[C@@](C)(F)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 1344507078 MKUYTLKRFCNPLH-BDJLRTHQSA-N 310.438 4.535 30 20 DJED Cc1c(C#N)cccc1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 1350359715 LNWMYGGZZMJXKL-UHFFFAOYSA-N 324.383 4.690 30 20 DJED Cc1cccc(-c2cccc(C(=O)Nc3ccccc3C#N)c2)c1 1351906095 SGLNTJQYTADYLJ-UHFFFAOYSA-N 312.372 4.786 30 20 DJED CCC[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C#N)CCCCCC2 1356098482 XVZCYTWDLYQECZ-TZMCWYRMSA-N 316.470 4.653 30 20 DJED CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)N(C1CC1)[C@H](C)C#N 1437467632 RBGKOSDHKOGWBO-MVBZYYNJSA-N 316.489 4.522 30 20 DJED CC(C)(CNCc1cc(C#N)cs1)Cc1cccc(Cl)c1 1461350757 XFPIOHQNRCYNCP-UHFFFAOYSA-N 318.873 4.632 30 20 DJED COC1(CCSc2nc(-c3ccccc3)ccc2C#N)CCC1 1472991318 KMENOUGUTNHVBX-UHFFFAOYSA-N 324.449 4.672 30 20 DJED Cc1ccc(CNc2cc(C#N)ccc2OC(C)C)cc1Cl 1474172505 RCMBOGJTZAJPTR-UHFFFAOYSA-N 314.816 4.919 30 20 DJED CCC[C@@H](C(=O)Nc1sc2c(c1C#N)CCCC2)C(C)C 1521832657 BFOIKRXULYDSNN-GFCCVEGCSA-N 304.459 4.509 30 20 DJED CC(C)CC(CC(C)C)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1526210014 UNGJWONQEURICB-INIZCTEOSA-N 314.473 4.786 30 20 DJED CCc1ccc([C@@H](C#N)N(C)C(=O)[C@H](C)CCC(C)(C)C)cc1 1527597780 XXYHOBNTTFATEI-CRAIPNDOSA-N 314.473 4.734 30 20 DJED CCc1c(C)sc(NC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)c1C#N 1536889366 IUBFIMQAAUJDDD-FOLVSLTJSA-N 316.470 4.646 30 20 DJED CC[C@@H](C#N)C(=O)N(C)[C@@H](c1ccc(Cl)cc1)C1CCCC1 1556417473 WCZKJLCTHQAMER-SUMWQHHRSA-N 318.848 4.579 30 20 DJED N#Cc1c(F)cccc1NCC1(c2ccc(F)cc2Cl)CC1 1559158911 OGQBIFVOPYYWGO-UHFFFAOYSA-N 318.754 4.634 30 20 DJED N#CC1(CN[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CCC1 1560890932 UNQKGZHCMKNUCQ-JKSUJKDBSA-N 322.374 4.625 30 20 DJED CC(C)(CC#N)CSc1nc(-c2ccco2)nc2ccccc12 1640824619 YMJNNZYLIHXYMZ-UHFFFAOYSA-N 323.421 4.922 30 20 DJED N#Cc1csc(CNc2cccc(SC(F)(F)F)c2)c1 1651400543 XPCLXPFTJKHBDU-UHFFFAOYSA-N 314.357 4.844 30 20 DJED N#Cc1ccc(CN2CC3(CCCC3)[C@H]2c2ccccc2)c(F)c1 1652615781 QZJFUGAWDDHRTL-HXUWFJFHSA-N 320.411 4.815 30 20 DJED N#Cc1cccc(CN[C@@H]2CCCC[C@@H](c3ccccc3)C2)c1 1656027609 XVZZNRBHQNHGQW-NHCUHLMSSA-N 304.437 4.764 30 20 DJED Cc1cc(N[C@H]2CCC[C@H](C#N)C2)cc(C)c1Br 1659107141 URPXEQCBECPVEW-STQMWFEESA-N 307.235 4.560 30 20 DJED N#CC1(c2ccccc2)CC(N[C@H]2CCc3ccc(Cl)cc32)C1 1665373713 YUWISLVDMIFAEV-SYYJFZTOSA-N 322.839 4.541 30 20 DJED CCCC(=NNc1ccc(C(=O)O)cc1)c1cc(C)sc1C 1776012255 LMIYKZRSDDTJPA-UHFFFAOYSA-N 316.426 4.679 30 20 DJED CCOc1ccc(/C=C/C(=O)c2cc(C)sc2C)cc1OC 8322636 CSKJUJSBCOTKNG-SOFGYWHQSA-N 316.422 4.668 30 20 DJED C[C@H](N[C@@H](C)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 78973411 BYUZEEHXYUNOMJ-STQMWFEESA-N 318.342 4.989 30 20 DJED N#CCCN(Cc1ccco1)Cc1cccc(Cl)c1Cl 159623516 XTROGOCKJSAEMW-UHFFFAOYSA-N 309.196 4.502 30 20 DJED C=CC[C@H](C)NC(=O)Nc1cccc(CSC(C)C)c1C 173884375 ONMIHOLQPJTQJA-ZDUSSCGKSA-N 306.475 4.723 30 20 DJED CC(C)Sc1ccc([C@H](C)NCc2ccc(C#N)s2)cc1 176962501 KKNHXCCOSKAZPR-ZDUSSCGKSA-N 316.495 4.971 30 20 DJED C[C@H](N[C@@H](c1ccccc1)C1CCC1)c1ccc(OCC#N)cc1 181685251 BCOKTFZEWKCIFF-KKSFZXQISA-N 320.436 4.781 30 20 DJED N#C[C@H]1CCC[C@@H](NC(c2cccs2)c2cccs2)C1 185843529 RHDKOBVRQLSJIF-QWHCGFSZSA-N 302.468 4.571 30 20 DJED N#Cc1cccc(CNCc2ccc(Oc3ccccc3)cc2)c1 237847025 YUWGKGLUUVZPKL-UHFFFAOYSA-N 314.388 4.640 30 20 DJED CC(C)c1ccc(C[S@](=O)CCCCC(C)(C)C#N)cc1 278292168 PZQPTVHWOOVGPG-OAQYLSRUSA-N 305.487 4.779 30 20 DJED CSc1cccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1C 281403183 ZPKYSHDZQQBFGJ-UHFFFAOYSA-N 324.449 4.770 30 20 DJED COc1cccc([C@@H]2CCCN2c2ccc(C#N)c(Cl)c2)c1 301507123 HFVOKCXRTZAFIY-SFHVURJKSA-N 312.800 4.562 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CC[C@@H](F)C1 351528355 CFBULDMNOPETBQ-HUUCEWRRSA-N 304.409 4.551 30 20 DJED C=CCCCC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 370065367 NAOVOJSPZMORHC-OAHLLOKOSA-N 311.347 4.725 30 20 DJED C=CCCc1ccccc1NC(=O)c1cnn(C(C)C)c1C1CC1 410342707 AMGIQUMQBPSGMU-UHFFFAOYSA-N 323.440 4.712 30 20 DJED C[C@H](C(=O)Nc1sc(C(C)(C)C)cc1C#N)c1cccs1 411006918 LBAXHOOKDOAPIB-JTQLQIEISA-N 318.467 4.721 30 20 DJED CC[C@H](NCc1ccc(C#N)s1)c1cccc(Cl)c1F 421871185 FWDSNDDOCTVCBT-AWEZNQCLSA-N 308.809 4.653 30 20 DJED C=CCCC(=O)N[C@@H](CCC=C)c1ccc(C(F)(F)F)cc1 441570675 URPQMXIILGSLQM-HNNXBMFYSA-N 311.347 4.795 30 20 DJED N#C[C@H]1CC[C@H](NC2(c3c(Cl)cccc3Cl)CCC2)C1 442859626 KANIKLPCZJRSMO-RYUDHWBXSA-N 309.240 4.654 30 20 DJED C[C@H]1C[C@H](c2ccccc2F)N(CCCCC(C)(C)C#N)C1 444652654 SDPAVRPCZWJCQD-MAUKXSAKSA-N 302.437 4.929 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1cccc(COC(C)(C)C)c1C 467988858 AIKCSSDILFCMHB-LJQANCHMSA-N 303.446 4.851 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1ccc(COC2CCCC2)cc1 467999871 HNSOUDHURNJGDN-LJQANCHMSA-N 301.430 4.687 30 20 DJED CCC(C)(C)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 472700576 DMDOZRVIYGZQJG-UHFFFAOYSA-N 323.396 4.661 30 20 DJED C=CCCC1(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 474097981 ULMNAMCJNRNZKA-UHFFFAOYSA-N 315.747 4.626 30 20 DJED N#CC[C@H](CC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccccc1 474418038 WJANLZJDRFSYTF-MTQWCTHYSA-N 324.468 4.549 30 20 DJED CC[C@@H](C)CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 478696531 LMICRCWMVOIIKU-OAHLLOKOSA-N 322.408 4.512 30 20 DJED C=CCC(CC=C)C(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 479472266 NCZBZXHLQSTSAO-IBGZPJMESA-N 313.416 4.646 30 20 DJED C[C@H](N[C@@H]1CC[C@H](c2cccc(F)c2)C1)c1ccc(C#N)cc1 479534420 WPINGXZTQXGSGC-ADLFWFRXSA-N 308.400 4.684 30 20 DJED C=CC[C@H](C)[C@@H](C)Nc1ccc(NC(=O)CC(F)(F)F)cc1 511020566 WTKKLGYRMUEHJH-NWDGAFQWSA-N 314.351 4.590 30 20 DJED C=CCCCCCN(C)C(=O)NCc1csc2ccccc12 523567692 FRQQGHRKHIDMNT-UHFFFAOYSA-N 316.470 4.789 30 20 DJED Cc1nc(C)c(COc2ccc(-c3ccc(C#N)cc3)cc2)s1 525700695 UFCGFROTMOKOIB-UHFFFAOYSA-N 320.417 4.878 30 20 DJED N#Cc1ccc(CN2CCCC[C@@H]2c2ccc(F)cc2F)s1 538795790 WGAYEZZKVOPYOR-QGZVFWFLSA-N 318.392 4.625 30 20 DJED C[C@](C#N)(NC(=O)c1cccc(-c2ccoc2)c1)C1CCCCC1 556303411 FMRRLQHQYRHCAD-HXUWFJFHSA-N 322.408 4.539 30 20 DJED N#Cc1csc(CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)c1 559071757 HANJUWHSOJCTHA-BCDXTJNWSA-N 308.450 4.530 30 20 DJED C[C@H](c1nc2ccccc2s1)[C@@H](C)NCC(C)(C)CCC#N 562047537 LAHHBJGFSWWJLX-UONOGXRCSA-N 315.486 4.708 30 20 DJED Cc1nsc(SCc2ccc(C(F)(F)F)cc2)c1C#N 576215888 MDGMXXWHZPJYHU-UHFFFAOYSA-N 314.357 4.634 30 20 DJED COc1cc(CN[C@H](C)c2cc3ccccc3s2)ccc1C#N 579413679 VOYKYFIMNVNYKI-CYBMUJFWSA-N 322.433 4.632 30 20 DJED C[C@H](CC(=O)N(CCC#N)c1ccc(F)cc1)C1CCCCC1 583222108 YUMJQMLNKWWIFC-OAHLLOKOSA-N 316.420 4.679 30 20 DJED Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)CCCCCC#N)cc1 588639224 YHJNWOQYSHNECC-PXNSSMCTSA-N 312.457 4.769 30 20 DJED C=CCCCSc1nnc(-c2ccco2)n1-c1ccccc1 605076278 VMBQQTRQXMAJTK-UHFFFAOYSA-N 311.410 4.586 30 20 DJED N#Cc1ccc(CN[C@H](CC2CC2)c2ccccc2)cc1Cl 619755250 DSLZUEYJEWRZBL-LJQANCHMSA-N 310.828 4.843 30 20 DJED CCC(CC)CN(CC)C(=S)Nc1ccc(C#N)c(Cl)c1 726460946 QUXMTCGTEDRGSK-UHFFFAOYSA-N 323.893 4.667 30 20 DJED COc1cccc(/C=N/[C@H](C)c2csc3ccccc23)c1O 729936138 IOLITZGQZFIIBH-AINDZBIGSA-N 311.406 4.796 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)C=C1CCCCC1 730988878 DIFFNKLXWHMAAO-CQSZACIVSA-N 314.454 4.767 30 20 DJED CCn1cc(C(=O)/C=C\c2ccc(-c3ccc(F)cc3C)o2)cn1 734304372 HZXUIBQODXGVJZ-YVMONPNESA-N 324.355 4.507 30 20 DJED N#Cc1ccc(-c2cccc(CNCc3ccccc3)c2)s1 740011892 VITLHWBEQCARLX-UHFFFAOYSA-N 304.418 4.577 30 20 DJED COc1ccc(/C=C\C(=O)c2ccccc2Cl)cc1Cl 741464332 NZVWFDNIVZEACA-VURMDHGXSA-N 307.176 4.898 30 20 DJED CCCCCC[C@H](C)C(=O)Nc1cc(C#N)ccc1OCC 741915179 YTDDFPZRTHNGJZ-AWEZNQCLSA-N 302.418 4.502 30 20 DJED Cc1c(C(=O)/C=C/C=C/c2ccccc2)cnn1-c1ccccc1 746684571 SDTLWRVSRWSFDI-NVXXTVOZSA-N 314.388 4.633 30 20 DJED COc1ccc(NN=C(C)c2sc(C(C)(C)C)nc2C)cc1 750922715 SATAPJHFGHGAQJ-UHFFFAOYSA-N 317.458 4.594 30 20 DJED CC(=NNc1cc(C)ccn1)c1ccc(SC(F)F)cc1 755906378 LZVUUBIPKPFXMF-UHFFFAOYSA-N 307.369 4.541 30 20 DJED CC(C)c1nc(C(=O)/C=C\c2cc(F)c(F)c(F)c2)cs1 756623659 VZSHGYBVZYFHSX-ARJAWSKDSA-N 311.328 4.580 30 20 DJED CC(C)CN(CCC#N)C(=O)N(c1ccccc1)c1ccccc1 782434097 IRAJASMMRDWCGV-UHFFFAOYSA-N 321.424 4.816 30 20 DJED CC(C)(C#N)CC(=O)OCc1cc(Cl)c(Cl)c(Cl)c1 785114005 JGJNSCYGEQGOCD-UHFFFAOYSA-N 320.603 4.630 30 20 DJED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1ccsc1Cl 790220076 RGXMXRNSSATGOF-HYXAFXHYSA-N 307.758 4.514 30 20 DJED C=CCCCCC[C@H](C)Nc1ccc(N2CCOC2=O)cc1 793551168 XMMYOEMOJGJBCV-HNNXBMFYSA-N 302.418 4.580 30 20 DJED FC(F)(F)c1cccc(-c2ccc(NN=C3CCCC3)nn2)c1 794982546 YYNDJQDTRXPMAE-UHFFFAOYSA-N 320.318 4.504 30 20 DJED N#Cc1ccccc1/C=C\C(=O)Nc1cc(Cl)cc(Cl)c1 799513966 VGFFCLPBGAEZMY-WAYWQWQTSA-N 317.175 4.517 30 20 DJED C[C@H]1/C(=C\c2ccccc2OC(F)F)C(=O)c2ccccc21 809158792 DHYVFHTYONESKT-HGLKBHAMSA-N 300.304 4.671 30 20 DJED C=CCC(C)(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 814305651 MAHIHZFCOUVAMV-IBGZPJMESA-N 318.420 4.883 30 20 DJED C#C[C@H](NC(=O)Nc1c(CCC)cccc1C(C)C)C(C)C 821565933 MGRYZEPTRCBVNL-KRWDZBQOSA-N 300.446 4.542 30 20 DJED CC1(C)C[C@H](NN=C2CC[C@H](c3cccc(Cl)c3)C2)CCO1 841634528 RLWBJJMYLLTMRD-WMLDXEAASA-N 320.864 4.511 30 20 DJED CCCCn1nc(C)c(C=NNc2ccccc2CC)c1Cl 915051635 KSUBVUQKCAUEKV-UHFFFAOYSA-N 318.852 4.653 30 20 DJED N#Cc1ccsc1NC(=O)/C=C\c1cc(Cl)cc(Cl)c1 1115819261 QJPPHNKLKFRGNZ-UPHRSURJSA-N 323.204 4.578 30 20 DJED N#Cc1cc(Cl)ccc1CN[C@@H]1CCC[C@H]1Cc1ccccc1 1169364762 FMBYBPGVUUZFQM-OXJNMPFZSA-N 324.855 4.713 30 20 DJED N#Cc1ccc(CN[C@H]2CCC[C@H](c3ccccc3)C2)cc1F 1256109109 UUZVLMYEJTWRBL-HKUYNNGSSA-N 308.400 4.513 30 20 DJED CC[C@@H]1CCCC[C@H]1C(=O)N(CC(C)C)c1ccc(C#N)cc1 1264413348 XUGJYLCZKZQVLE-IEBWSBKVSA-N 312.457 4.764 30 20 DJED Cc1cc(Cl)ccc1CN(Cc1ccc(C#N)cc1)C(C)C 1307438630 MBKMYKSNXDVOAV-UHFFFAOYSA-N 312.844 4.931 30 20 DJED CCc1ccc(C(C)(C)C(=O)O[C@H](C)c2cccc(C#N)c2)cc1 1355926121 JXWQSNLEGLTLCC-OAHLLOKOSA-N 321.420 4.703 30 20 DJED C[C@@H](OC(=O)c1cccc(-c2ccoc2)c1)c1ccc(C#N)cc1 1457192294 NNXJWRKEDFLVDE-CQSZACIVSA-N 317.344 4.736 30 20 DJED CC(C)(C#N)CCSc1ncc(-c2ccc(Cl)cc2)[nH]1 1459290049 DQXODRKIAHGMKJ-UHFFFAOYSA-N 305.834 4.762 30 20 DJED C[C@@H]1c2c(F)cccc2CCN1Cc1ccccc1C(C)(C)C#N 1459544411 QMTSEWYKAZDCPG-OAHLLOKOSA-N 322.427 4.746 30 20 DJED CC(C)(CC#N)CN[C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 1462330444 YXWVYBXJNURMGT-GOEBONIOSA-N 324.390 4.871 30 20 DJED CCCN(Cc1c(F)cccc1Cl)c1cccc(F)c1C#N 1472673891 JJPHFHHACHBNLP-UHFFFAOYSA-N 320.770 4.906 30 20 DJED C=C(CNCc1ccc(SC(F)F)cc1)c1ccccc1 1473982511 RBLVUMAVPKWTGJ-UHFFFAOYSA-N 305.393 4.804 30 20 DJED Cc1sc(NC(=O)CC2CCC(C)(C)CC2)c(C#N)c1C 1521055333 KNEIURSCMOHUMH-UHFFFAOYSA-N 304.459 4.782 30 20 DJED Cc1ccnc(N[C@@H](C)c2ccc(Cl)c(Cl)c2)c1C#N 1559148904 VVBIHJXBDVJXJI-JTQLQIEISA-N 306.196 4.742 30 20 DJED N#Cc1ccc(CN2CCCCC[C@@H]2c2ccccc2)c(F)c1 1560681855 WMVPHRLPWKKHTQ-HXUWFJFHSA-N 308.400 4.815 30 20 DJED N#Cc1ccc(C2=CCN(Cc3ccccc3Cl)CC2)cc1 1616899285 PDZKHHABVYSKDL-UHFFFAOYSA-N 308.812 4.501 30 20 DJED CC(C)[C@@H]1CCc2ccccc2N1Cc1ccc(F)c(C#N)c1 1616950860 JBJJMHBXAOOULA-IBGZPJMESA-N 308.400 4.675 30 20 DJED CCc1ccc([C@@H]2CCCCCN2CCc2ccc(C#N)cc2)o1 1641828463 KLJXZHAEDLBSCI-FQEVSTJZSA-N 322.452 4.873 30 20 DJED Cc1ccc(-c2csc(COc3ccc(C#N)c(C)c3)n2)cc1 1643894954 XQFGPNXTZBTRBK-UHFFFAOYSA-N 320.417 4.878 30 20 DJED Cc1c(Cl)cnc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1C#N 1651327013 PBSUWONJBOXKKJ-BFHYXJOUSA-N 303.837 4.686 30 20 DJED C=C(Br)CN1CCC[C@@H]1[C@H](CC)c1ccccc1 1652582982 PZNLMDWKEOCBFI-HZPDHXFCSA-N 308.263 4.553 30 20 DJED N#Cc1cccc(C#N)c1NCC1(Cc2ccccc2)CCCC1 1655330799 RRFGNLKNPQLNLD-UHFFFAOYSA-N 315.420 4.645 30 20 DJED CC[C@@H]1CN(Cc2ccc(C#N)cc2C)CC[C@H]1c1ccccc1 1657515589 PGGLQWFUQGJTFV-DENIHFKCSA-N 318.464 4.882 30 20 DJED C[C@H](CCC#N)CN(C)[C@@H](c1ccccc1)c1ccc(F)cc1 1658708936 PUCRZRMZSTVMIV-UZLBHIALSA-N 310.416 4.787 30 20 DJED N#C[C@H]1CC[C@@H](Nc2c(-c3ccccc3)[nH]c3ccccc23)C1 1658969954 SDWQYQYEWYPZGD-GOEBONIOSA-N 301.393 4.939 30 20 DJED CC[C@H](c1ccccc1)[C@H]1CCCN1Cc1cccc(F)c1C#N 1659074384 GHOXKDCZPURDCY-WIYYLYMNSA-N 322.427 4.856 30 20 DJED Cc1ccc(CCCN2CCC(c3ccc(C#N)cc3)CC2)cc1 1660382013 OBGFKBLEWDPMMG-UHFFFAOYSA-N 318.464 4.679 30 20 DJED Cc1cc(C#N)cc(NC(=O)N2CCC[C@H](C(C)(C)C)CC2)c1 1670905399 BXPOQKZKTZHQSH-INIZCTEOSA-N 313.445 4.547 30 20 DJED CC(C)(C)c1ccc(C(=O)/C=C\c2ccc(CC(=O)O)cc2)cc1 1776119413 AJUDRHYFRXJVSR-JYRVWZFOSA-N 322.404 4.507 30 20 DJED CC(C)(C)c1ccccc1/C=C\C(=O)c1ccc(CC(=O)O)cc1 1776276445 IVIATVAZWAYNJG-SEYXRHQNSA-N 322.404 4.507 30 20 DJED C[C@@H](NCc1ccc(-c2ccc(F)cc2)o1)c1ccc(C#N)cc1 75755804 RZCPKFNEWYWUPH-CQSZACIVSA-N 320.367 4.808 30 20 DJED Cc1cccc(Oc2ccccc2NC(=O)N(C)[C@H](C)CC#N)c1 86280924 GOHHNBMJFMLMOO-OAHLLOKOSA-N 323.396 4.553 30 20 DJED CC[C@@H](CC(=O)Nc1ccccc1SCCC#N)C(C)C 108200666 OXWWGRCNOTYNJR-AWEZNQCLSA-N 304.459 4.703 30 20 DJED C=CCC(CC=C)C(=O)Nc1cccc(Oc2ccncc2)c1 132859098 JTYMUKZTRBVURF-UHFFFAOYSA-N 308.381 4.581 30 20 DJED N#CCC[C@H](NC(=O)Nc1ccccc1Cl)c1ccccc1 163538158 NFCAOTYJXZKAFB-HNNXBMFYSA-N 313.788 4.507 30 20 DJED N#CCCSc1ccccc1N=Cc1cc(Cl)ccc1O 255449885 XXXBVUWKHUNELX-UHFFFAOYSA-N 316.813 4.802 30 20 DJED CC(=O)c1ccc(Cl)c(Cl)c1OCc1ccccc1C#N 303189633 MIDZXPHBBJKILA-UHFFFAOYSA-N 320.175 4.647 30 20 DJED N#Cc1cc(Br)ccc1COc1ccc(Cl)cc1 310946700 XUVQVFCKIXVFAD-UHFFFAOYSA-N 322.589 4.553 30 20 DJED Cc1noc(Cl)c1CC/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 329236051 NZXXDXRGCRZSNJ-BFHYXJOUSA-N 324.852 4.884 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@@H]2/N=C(/O)c1c(C)nsc1C 330349616 KDKOVPWWOWPGJX-ZDUSSCGKSA-N 318.442 4.680 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1cn(CC)c2ccccc12 344388378 XBVGUMFKWOUHBR-UHFFFAOYSA-N 324.449 4.551 30 20 DJED CC[C@@H]1CCCC[C@H]1CNc1ccc(C#N)c(Br)c1 401417256 CXTJIDPQBPJEEF-OCCSQVGLSA-N 321.262 4.949 30 20 DJED Cc1cccc(CN(C)Cc2cccc(OCCCC#N)c2)c1C 430104183 RFNOIZRGQODRAZ-UHFFFAOYSA-N 322.452 4.618 30 20 DJED N#Cc1cccc(SCc2nc(-c3ccccc3)cs2)c1 436180750 CIRSWHKCOISEAO-UHFFFAOYSA-N 308.431 4.974 30 20 DJED CCc1ccc(NC(=O)CS[C@H](C)c2cccc(C#N)c2)cc1 443159944 NADVMDRGYYWGPD-CQSZACIVSA-N 324.449 4.554 30 20 DJED C[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(CC#N)cc2Cl)C1 452653307 ZLHDZLGSRHQJQS-TZMCWYRMSA-N 304.821 4.561 30 20 DJED C[C@H](c1cccc(C#N)c1)c1nc(-c2cc3ccccc3o2)no1 461790029 GHKZDAGSDQVGAV-GFCCVEGCSA-N 315.332 4.506 30 20 DJED CC(C)(C#N)CCSc1nc(-c2ccccc2)ccc1C#N 463260075 UVCUXSZCEURDOO-UHFFFAOYSA-N 307.422 4.652 30 20 DJED CC(C)(C#N)c1ccc(C(=O)N2CCC=Cc3ccccc32)cc1 476963943 XLMBYOJHJNAEPU-UHFFFAOYSA-N 316.404 4.551 30 20 DJED C=CCC1(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CCC1 478629267 MPQCPELVJMOUEH-UHFFFAOYSA-N 312.240 4.698 30 20 DJED C=CCOCCCSCc1ccc(Cl)c2cccnc12 479608789 FTPNNCDLIGRGNK-UHFFFAOYSA-N 307.846 4.714 30 20 DJED CC(C)(C#N)c1ccccc1CN(CC1CCC1)CC(F)(F)F 486811577 VXUNXUULHJLBNL-UHFFFAOYSA-N 324.390 4.652 30 20 DJED CC(C)c1ccc2c(c1)[C@@H](NCc1ccc(C#N)cc1F)CC2 495147566 QHJREQSWIYBLOL-FQEVSTJZSA-N 308.400 4.598 30 20 DJED C=C(C)CCN1CCC(c2nc3cc(Cl)ccc3o2)CC1 509343651 PNBDNXBMKAEKAC-UHFFFAOYSA-N 304.821 4.627 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 510040542 KUERABAKQSQEGB-MAUKXSAKSA-N 312.457 4.732 30 20 DJED CCN(Cc1cccc(C#N)c1)Cc1ccc2ccccc2c1 514089437 QBQRJFNMTYHUDU-UHFFFAOYSA-N 300.405 4.734 30 20 DJED CC(C)(CCC#N)CN1CCC[C@@H](Oc2ccccc2Cl)C1 539863422 WCOOTDPFBBHWCQ-OAHLLOKOSA-N 320.864 4.513 30 20 DJED C=CCSc1ccccc1C(=O)N[C@H]1CCc2c(C)cccc21 547620535 DEQQXBICQNCPBG-SFHVURJKSA-N 323.461 4.690 30 20 DJED CC(C)(CCC#N)CN[C@H](Cc1ccccc1Cl)C1CC1 551200452 IYCFGJKHBAOEDD-QGZVFWFLSA-N 304.865 4.581 30 20 DJED Cc1cc2cc(CN[C@@H](C)c3ccc(C#N)cc3Cl)ccc2[nH]1 556897167 JUTJYJZOIJDFNJ-ZDUSSCGKSA-N 323.827 4.852 30 20 DJED C/C(=C\c1ccccc1C(F)(F)F)CN(CCC#N)C(C)C 558635063 NUHFEOJHQICJGN-SDNWHVSQSA-N 310.363 4.733 30 20 DJED C[C@H](Nc1ccccc1NC(=O)CC(C)(C)C#N)c1ccccc1 565206206 WURCESZCUFZAMF-HNNXBMFYSA-N 321.424 4.738 30 20 DJED C=C(C)COc1cccc(NC(=O)C2(c3ccccc3)CCC2)c1 589382526 SDZFRMMOSOTXIA-UHFFFAOYSA-N 321.420 4.702 30 20 DJED N#CC1(CCSCCc2noc3ccccc23)CCCCC1 594561229 CVLSMEFVHABTFQ-UHFFFAOYSA-N 314.454 4.968 30 20 DJED C=CC1CCN(C(=O)[C@H](C)c2c(Cl)cccc2Cl)CC1 599677033 JSYFOXDXBKIGDJ-LLVKDONJSA-N 312.240 4.522 30 20 DJED CSc1cc(N[C@@H](C)CC2(C#N)CCOCC2)ccc1Cl 602690833 PPONWHUWXJGVCQ-LBPRGKRZSA-N 324.877 4.573 30 20 DJED N#Cc1ccc(CSc2nc3ccccc3n2C(F)F)cc1 603454047 CQYHXRPWZMEPLF-UHFFFAOYSA-N 315.348 4.595 30 20 DJED C=CCCCSc1nnc(-c2ccc(Cl)cc2)n1CC=C 605076659 RSIHEQDUGYMDIK-UHFFFAOYSA-N 319.861 4.843 30 20 DJED N#Cc1ccccc1SCc1ccc(F)cc1Br 610206589 OIUTZRZPVZTWLH-UHFFFAOYSA-N 322.202 4.752 30 20 DJED C=CCN(Cc1ccccc1)C(=O)N[C@@H](c1ccccc1)C(C)C 612200678 NSAPXCJDPNJWGJ-HXUWFJFHSA-N 322.452 4.782 30 20 DJED C=C(C)CN[C@@H](CC(F)(F)F)c1ccc(Br)cc1 680432993 NHFFVDPJAVPPBL-LBPRGKRZSA-N 322.168 4.608 30 20 DJED COc1ccc2oc(C(=O)/C=C/c3ccc(C#N)cc3)c(C)c2c1 729149255 CNVRDHIULHLERV-VQHVLOKHSA-N 317.344 4.518 30 20 DJED Cc1cccc2c1C/C(=C\c1csc(Br)c1)C2=O 729151480 SHXKAULQMYWWNJ-VZUCSPMQSA-N 319.223 4.641 30 20 DJED C#CCCOc1ccc(CNCc2cc3ccccc3s2)cc1 733325327 CZISAXOHBQZYHD-UHFFFAOYSA-N 321.445 4.593 30 20 DJED COCc1ccc(/C=C/C(=O)c2ccc(SC)c(F)c2)cc1 741846272 BESQFYVWDIWESS-VQHVLOKHSA-N 316.397 4.590 30 20 DJED Cc1cccc2c(N3CCC4(CCCC4)CC3)c(C#N)cnc12 742408471 GZRSBWYMQLOBIT-UHFFFAOYSA-N 305.425 4.576 30 20 DJED Cc1ccc(-c2ccc(C=NOCc3cccnc3)s2)cc1 746588607 QKIIYZNLGSMGNU-UHFFFAOYSA-N 308.406 4.669 30 20 DJED Cc1cc(F)ccc1/C=C\C(=O)c1cccc(OC(F)F)c1 750904397 VKJQZNZFFCVHEL-VURMDHGXSA-N 306.283 4.632 30 20 DJED CCC(CC)CN(CCC#N)Cc1nc(Cl)ccc1Cl 766795127 AKHUYEOXUUZSHC-UHFFFAOYSA-N 314.260 4.540 30 20 DJED CSc1ccc(/C=C2\CSc3c(F)cccc3C2=O)cc1 767905352 LWYGHQFJCKCLFF-FMIVXFBMSA-N 316.422 4.920 30 20 DJED COc1ccsc1C(=O)/C=C\c1cccc(-c2ccccn2)c1 769746617 LPEWUZKOGWKOCY-HJWRWDBZSA-N 321.401 4.715 30 20 DJED CC[C@H](Nc1ccc(OC(F)F)c(F)c1)c1ccc(C#N)cc1 774283729 XICRMHODLRLEPC-HNNXBMFYSA-N 320.314 4.862 30 20 DJED CC[C@@H](Sc1ccccc1)C(=O)OCCCCC(C)(C)C#N 785922362 IZFSVBRZYGKJJG-MRXNPFEDSA-N 319.470 4.821 30 20 DJED C=CCCCCC[C@H](C)NCC(=O)Nc1c(C)cc(C)cc1C 793519334 QTWCYCDAUKYAIT-SFHVURJKSA-N 316.489 4.665 30 20 DJED CC(=NNc1ccc(C(F)(F)F)cc1)c1coc(C(C)C)n1 799482639 GFHJXYMGAWOPKW-UHFFFAOYSA-N 311.307 4.653 30 20 DJED C=CCCCCCCNC(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C 805220357 NKHGEAICBFSDEJ-UHFFFAOYSA-N 318.461 4.515 30 20 DJED Cc1c(C#N)c(-c2ccccc2Br)nc2ccccc12 917345407 BZWCDQUORCHDNS-UHFFFAOYSA-N 323.193 4.844 30 20 DJED Cc1ccc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)cc1Cl 1131372123 VELSFYPPPOMBJJ-UHFFFAOYSA-N 324.811 4.719 30 20 DJED Cc1cc(Nc2ccc(N3CCCC[C@@H]3C)cc2C)c(C#N)cn1 1162818950 MRKYNYKJYDFSPL-INIZCTEOSA-N 320.440 4.693 30 20 DJED N#Cc1c(F)cccc1CN1CCC(=Cc2ccccc2F)CC1 1180108080 MSCMACWEUVLOER-UHFFFAOYSA-N 324.374 4.516 30 20 DJED N#Cc1ccc(Sc2nc3cccc(F)c3s2)c(F)c1 1185414464 SMSFPHAPMSUEHN-UHFFFAOYSA-N 304.346 4.597 30 20 DJED CC(C)c1ccc([C@@H]2CCCCN2Cc2cccc(C#N)n2)cc1 1204648915 XXQUQMSUEFDJBU-NRFANRHFSA-N 319.452 4.804 30 20 DJED Cc1cccc(C(Nc2ccc(C#N)cn2)c2cccc(C)c2)c1 1306989443 CZQMVPUSEQJNOI-UHFFFAOYSA-N 313.404 4.772 30 20 DJED CSc1ccccc1C(=O)/C=C\c1ccc2ncccc2c1 1339885305 MODYVIXGZLRGMM-LUAWRHEFSA-N 305.402 4.853 30 20 DJED CC(C)(C)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1Cl 1350451459 TUKLZZJLENXMDY-UHFFFAOYSA-N 312.800 4.761 30 20 DJED N#Cc1ccc(C2CCN(C[C@H]3CCCCC3(F)F)CC2)cc1 1473839298 XHIGTUJBZZAAAY-GOSISDBHSA-N 318.411 4.563 30 20 DJED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)O[C@H]1CCC[C@@H](C#N)C1 1525049192 RMYDFROCQAMBGB-VQHPVUNQSA-N 311.425 4.602 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(C2CCC2)cc1 1526207750 BWARRFFIQFBDJZ-OAHLLOKOSA-N 318.420 4.659 30 20 DJED CC(C)[C@H](CC(=O)O[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 1539791766 RXPIZLBHCAEAPZ-JXFKEZNVSA-N 321.420 4.992 30 20 DJED CC[C@H](C)CC(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@H]2C 1544389900 FJVBGCIXPCEFOG-QJPTWQEYSA-N 304.459 4.680 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)c2cccc(Oc3ccccc3)c2)C1 1596978654 POLMZUUGMGEZAN-QAPCUYQASA-N 321.376 4.718 30 20 DJED Cc1cccc(-n2ccnc2S[C@@H](C)c2ccc(C#N)cc2)c1 1640732021 JIJLKKZWGCYYRW-HNNXBMFYSA-N 319.433 4.906 30 20 DJED C=C(Br)CN(Cc1c(C)cccc1C)CC(C)C 1646367407 ITWXVZFWDDTITE-UHFFFAOYSA-N 310.279 4.670 30 20 DJED C[C@H](N[C@H](C)CC(C)(C)C#N)c1ccc(OC(F)(F)F)cc1 1652358456 HWVPAAJPRSAAPV-NEPJUHHUSA-N 314.351 4.564 30 20 DJED Cc1ccc([C@@H]2[C@@H](C)CCCN2Cc2ccc(F)c(C#N)c2)cc1 1653437662 BQMXLTGANOIKMO-KKSFZXQISA-N 322.427 4.979 30 20 DJED Cc1ccccc1[C@H](C)N1CCC(c2ccc(C#N)cc2)CC1 1656289131 LNWWSHKWEUXMOK-KRWDZBQOSA-N 304.437 4.807 30 20 DJED COc1cc(CN(C)C2CCC(C(C)(C)C)CC2)ccc1C#N 1657579311 WNFOOXWSFARBJX-UHFFFAOYSA-N 314.473 4.604 30 20 DJED CCCC(=NNc1ccccc1C(=O)O)c1cc(C)sc1C 1776031106 MTWTYCGFSRYIHT-UHFFFAOYSA-N 316.426 4.679 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1ccsc1Cl 1776787098 PWCBCDCPBIKLNH-ZDUSSCGKSA-N 317.882 4.695 30 20 DJED Clc1ccc(/N=C2\NN=C(C3CCCCC3)CS2)cc1 22690680 KXUBTKFUTBYTET-UHFFFAOYSA-N 307.850 4.600 30 20 DJED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 80458035 UYKGMYROULPMTE-ZDUSSCGKSA-N 323.421 4.546 30 20 DJED CCc1cccc(NCc2ccc(OC)c(OCCCC#N)c2)c1 114760397 XPRJOSMVOQKTIP-UHFFFAOYSA-N 324.424 4.552 30 20 DJED COc1ccc(/C=C/C(=O)c2cccc(Cl)c2Cl)cc1O 116609380 AJLCEQHXYBXCKN-FNORWQNLSA-N 323.175 4.604 30 20 DJED C[C@@H](N[C@H](C)c1ccccc1C(F)(F)F)c1ccc(C#N)cc1 121840520 SASYDKQTCLPVFI-CHWSQXEVSA-N 318.342 4.989 30 20 DJED CCC(=CC(=O)Nc1ccccc1S[C@@H](C)CC#N)CC 129304433 KGBNRAASCYLSID-ZDUSSCGKSA-N 302.443 4.766 30 20 DJED C[C@@H](C#N)Oc1ccc(/C=C/C(=O)c2coc3ccccc23)cc1 159013037 KZHLDTNVGCEUOH-ZHZWZMEUSA-N 317.344 4.620 30 20 DJED Cc1ncc(CSc2ccc(C#N)c(C(F)(F)F)c2)s1 181051879 VPXVTNGTISUQRI-UHFFFAOYSA-N 314.357 4.634 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1cccc(COCc2ccco2)c1 190737573 FNCVMIUNBHACKR-LJQANCHMSA-N 313.397 4.537 30 20 DJED CC(C)C[C@@H](NCc1ccc(OCC#N)cc1)c1cccs1 194363751 IBMKYMHOLRBMPP-QGZVFWFLSA-N 314.454 4.527 30 20 DJED O=C1/C(=C\c2ccc(C(F)(F)F)cc2)CCc2cc(O)ccc21 207934118 YXBKGXWWSMADHV-LCYFTJDESA-N 318.294 4.624 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)/C=C1/CC[C@@H](C)C1 267855270 MKNMYFIHYRBWOH-WTYWISTRSA-N 314.454 4.623 30 20 DJED N#C[C@H]1CC[C@H](Sc2nnc(-c3cccc4ccccc34)o2)C1 278485468 AKEQSZLLAOMGFO-JSGCOSHPSA-N 321.405 4.674 30 20 DJED C=CC[C@H](CC)NC(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C 281339159 LTZZGUSEOSLRTO-KGLIPLIRSA-N 323.506 4.632 30 20 DJED Cc1cc(C/N=C(/O)C2(C3CCCCC3)CCCCC2)on1 329968712 WEGPPPOWSABGFS-UHFFFAOYSA-N 304.434 4.970 30 20 DJED CC(C)(C)CCCCC(=O)N[C@@H](CCC#N)c1ccccc1 342415152 TWOXUPMCXFKOLA-KRWDZBQOSA-N 300.446 4.754 30 20 DJED C=CCC[C@@H](NCc1ccc(O)c(OCC)c1)c1ccccc1 358110136 LSZISFWTGPXSEN-GOSISDBHSA-N 311.425 4.588 30 20 DJED COc1ccc(CS[C@H](C)c2cccc(C#N)c2)cc1F 442726224 WWOCHXMHXALZJN-GFCCVEGCSA-N 301.386 4.700 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccccc1CC 471120704 LVEVNMFJKAWFSH-UHFFFAOYSA-N 308.425 4.859 30 20 DJED N#C[C@@H]1CC[C@@H](NCc2ccc(Sc3ccccc3)cc2)C1 472155454 LVWSVIWZJHWZCS-IAGOWNOFSA-N 308.450 4.620 30 20 DJED C=CCC1(C(=O)Nc2ccc(CNc3ccccc3)cc2)CCC1 484339075 NDRBPOFHVAOTSI-UHFFFAOYSA-N 320.436 4.984 30 20 DJED C=CCCO[C@H](C)C(=O)Nc1ccc(S[C@H](C)CC)cc1C 499727750 VEWAUCHPBSNEDO-HUUCEWRRSA-N 321.486 4.805 30 20 DJED CCOc1ccc(C#N)cc1NC(=O)C[C@@H](C)C1CCCCC1 500585983 IVHLFDROIKMDOH-CQSZACIVSA-N 314.429 4.502 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@@H]2CCC[C@H]2c2ccccc2)c1 515686701 KBDGFSOEKNHCDO-RBUKOAKNSA-N 304.393 4.509 30 20 DJED C=CC[C@@H](C)NC(=O)CSc1cccc2cccc(Cl)c12 522645674 GKGQFTGGTAGEKC-GFCCVEGCSA-N 319.857 4.666 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc(C)cc1OCC)c1ccccc1 535348457 CWAVLONNCYSVDB-INIZCTEOSA-N 309.409 4.692 30 20 DJED C[C@H](CCNCc1cccc(OCCCC#N)c1)c1ccccc1 545961450 RFGNZNCQHLPOSF-GOSISDBHSA-N 322.452 4.653 30 20 DJED Cc1cc(CN2CCC(CCC#N)CC2)ccc1C(F)(F)F 563157368 IQUKVHJSDXQSLL-UHFFFAOYSA-N 310.363 4.530 30 20 DJED C[C@@H](N[C@@H]1CCc2sc(Cl)cc21)c1ccc(C#N)cc1F 567024886 BZWWDQFZXPCUCP-YMTOWFKASA-N 320.820 4.750 30 20 DJED C=C(C)CCc1noc([C@H](C)Oc2cccc3ccccc23)n1 579526299 PDZJPSMXXUJCIC-AWEZNQCLSA-N 308.381 4.872 30 20 DJED C=CCC(F)(F)c1nc(-c2ccc(F)cc2C(F)(F)F)no1 583277712 IFBVVJFINCLBHA-UHFFFAOYSA-N 322.208 4.562 30 20 DJED Cc1cc(N2CCCCCC2)ccc1N[C@@H]1CCC[C@H](C#N)C1 586795029 ZJSBIBIHDSWWDN-ZWKOTPCHSA-N 311.473 4.870 30 20 DJED CC[C@H](C)Sc1ccc(-c2noc(C3(C#N)CCC3)n2)cc1 592415565 WEUCXUQHZQREGE-LBPRGKRZSA-N 313.426 4.572 30 20 DJED C=CCCC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1 607606407 FGWGDMINAUTBRB-INIZCTEOSA-N 323.436 4.848 30 20 DJED CC(C)c1cccc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c1 659114842 ISFZULFKJFGISP-HNNXBMFYSA-N 312.438 4.880 30 20 DJED Fc1cccc(NN=Cc2ccc(OC(F)F)c(Cl)c2)c1 731486619 QMGRIADCXTVSHY-UHFFFAOYSA-N 314.694 4.527 30 20 DJED CCc1oc2ccccc2c1C=NNc1c(F)cccc1F 735615693 VXTBALIHGVYHCK-UHFFFAOYSA-N 300.308 4.719 30 20 DJED CC(=NNc1ccccc1Cl)c1cnc2ccsc2c1 739400759 GUFPJWQASUZNGW-UHFFFAOYSA-N 301.802 4.786 30 20 DJED COc1ccc(C(=O)/C=C/c2cccc(-c3ccccn3)c2)cc1 747699191 QKGIHYYGTLPPOD-MDWZMJQESA-N 315.372 4.653 30 20 DJED O=C(/C=C/c1ccc(OCC(F)(F)F)cc1)c1ccsc1 749105704 XAWKFGGNFQKRPO-ZZXKWVIFSA-N 312.312 4.585 30 20 DJED Cc1cc(C(=O)/C=C/c2coc(-c3ccccc3)n2)c(C)s1 749885386 CRMLLUSFSJXGOF-CMDGGOBGSA-N 309.390 4.916 30 20 DJED C[C@@H]1CC/C(=C\C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)C1 753801454 JOKLEKNLUWIPOM-VRCKCISPSA-N 322.433 4.733 30 20 DJED N#Cc1cc(/C=C\C(=O)c2ccc(C(F)(F)F)cc2)ccc1F 756263775 WKGFVZRWOQDCNZ-WAPJZHGLSA-N 319.257 4.612 30 20 DJED O=C1/C(=C/c2cccnc2Cl)CCc2c(Cl)cccc21 758040404 PHYJBRYATFQKDC-MDZDMXLPSA-N 304.176 4.601 30 20 DJED N#CCOc1cc(F)ccc1NCCc1ccc2ccccc2c1 758109444 NBFAPSRLDKBDEO-UHFFFAOYSA-N 320.367 4.536 30 20 DJED C=C[C@H](CC(=O)Nc1ccc(Cl)cc1OC)c1ccccc1 772905282 XFIAPUHVFDTVMO-CYBMUJFWSA-N 315.800 4.647 30 20 DJED CC(=NNc1ccccc1C(F)(F)F)c1ccc(C#N)c(F)c1 776758175 ICRPVKGDSCOXLA-UHFFFAOYSA-N 321.277 4.552 30 20 DJED C=CC[C@@H](C(=O)O[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 777711794 XRCVPVOYUKAEDU-HNAYVOBHSA-N 305.377 4.522 30 20 DJED CCCCN(Cc1ccccc1O)[C@H](C)c1ccc(C#N)cc1 778995902 FQJYBLRVZOARIS-MRXNPFEDSA-N 308.425 4.627 30 20 DJED CN(c1ccccc1)c1ccc(/C=C/C(=O)c2ccsc2)cn1 797787887 FNNDSDPQKOFJOA-VQHVLOKHSA-N 320.417 4.807 30 20 DJED CC(=NOCCC(F)(F)F)c1csc(-c2ccccc2)n1 841634875 WPVUDDDMOSAUPV-UHFFFAOYSA-N 314.332 4.503 30 20 DJED Cc1cc(C)c(C[S@](=O)CCCCC2(C#N)CCC2)c(C)c1 899390698 COJXKCSYAMFUSE-JOCHJYFZSA-N 317.498 4.725 30 20 DJED CCc1c(C(C)=NNc2nc3ccccc3[nH]2)oc2ccccc12 915915367 CPVFSQLQOMWQRZ-UHFFFAOYSA-N 318.380 4.708 30 20 DJED CC(=NNc1ncccc1Cl)c1ccc(Cl)c(Cl)c1 917549494 PPJAWPHNAOJFIH-UHFFFAOYSA-N 314.603 4.878 30 20 DJED CC(C)c1cccc(NC(=S)Nc2ccc(CC#N)cc2)c1 917573451 WUQFWZRSHOVSHP-UHFFFAOYSA-N 309.438 4.685 30 20 DJED CC(=NNc1ccccc1C(=O)O)c1ccc(Cl)cc1Cl 920947674 QQFYBWNNPLSMSO-UHFFFAOYSA-N 323.179 4.528 30 20 DJED C=C(CC)C(=O)N(CC)[C@H](c1ccc(CC)cc1)c1cccnc1 1123566267 OJFBVENLYLYUNG-HXUWFJFHSA-N 322.452 4.548 30 20 DJED Cc1c([C@H](C)NCCc2ccc(C#N)cc2)oc2ccccc12 1194102193 WCAIJUSVASTLSJ-HNNXBMFYSA-N 304.393 4.506 30 20 DJED Cc1cc(CN[C@@H]2C[C@H](C)C[C@@H](c3ccccc3)C2)ccc1C#N 1308438173 NNJMNNUEFLYDIS-NPFVIJTESA-N 318.464 4.929 30 20 DJED CCc1nnc(SCc2ccccc2C2CC2)c(C#N)c1CC 1458328658 BEOINKZOVXVBAX-UHFFFAOYSA-N 323.465 4.643 30 20 DJED Cc1ccccc1SC[C@@H](C)CSc1cc(C#N)ccn1 1458915944 YALKUKRIGOSBJL-CYBMUJFWSA-N 314.479 4.782 30 20 DJED CCC[C@@H]1CCc2ccccc2N1C(=O)c1cc(C#N)ccc1C 1517349487 LIHVOTNQCKZHAY-GOSISDBHSA-N 318.420 4.628 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@H](C)C1CCCCC1 1529667409 YJZGPFCUZCXIGN-CVEARBPZSA-N 312.457 4.684 30 20 DJED CC(C)[C@H](c1ccccc1)N(C(=O)CC(C)(C)C#N)C(C)C 1532412276 ANUZEEJWWMTLSH-GOSISDBHSA-N 300.446 4.561 30 20 DJED N#Cc1cc(C(=O)Nc2cccc(Nc3ccccc3)c2)cs1 1542947487 IEJZYBOEGQCHBT-UHFFFAOYSA-N 319.389 4.616 30 20 DJED Cc1c(C(=O)Nc2cccc(CC#N)c2)oc2ccc(Cl)cc12 1543579016 LSVNYQWIAKOYSB-UHFFFAOYSA-N 324.767 4.713 30 20 DJED CC(C)(C)C[C@H]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 1562491640 LDUSSTFQSQJPEW-CYBMUJFWSA-N 319.836 4.502 30 20 DJED CC(C)C[C@@H]1CCCCCN1C(=O)Nc1ccc(C#N)c(F)c1 1562909502 RIXOHLVAYDLKRV-INIZCTEOSA-N 317.408 4.520 30 20 DJED C[C@@H]1C[C@H](CC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC(C)(C)C1 1586550914 VPSNPWPGGGNTJB-IDHHARJASA-N 324.468 4.514 30 20 DJED Cc1ccc(C)c(CSc2nc(C)c(C#N)cc2Cl)c1 1639446979 OZXYFQRHBUMFBY-UHFFFAOYSA-N 302.830 4.824 30 20 DJED C[C@H]1c2c(F)cccc2CCN1c1nc(C(C)(C)C)ccc1C#N 1650950952 RPJONZLWFRFKHB-ZDUSSCGKSA-N 323.415 4.514 30 20 DJED Cc1cc(CN(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)ccc1C#N 1652053596 BKHSTLBZRNGXDB-QRWLVFNGSA-N 320.436 4.748 30 20 DJED Cc1cccc2c1CC[C@H]2Nc1nc(C(C)(C)C)ccc1C#N 1655114615 ZFMUBWFBJJESKF-QGZVFWFLSA-N 305.425 4.659 30 20 DJED CC[C@@H](c1ccccc1)N(CC)Cc1ccc(C#N)c(OC)c1 1659062406 YOTVMOBJWAWAFI-IBGZPJMESA-N 308.425 4.540 30 20 DJED C=C(CNC(=O)Nc1cc(C)c(C)cc1Cl)c1ccccc1 1662000054 OZSFZGGENONMPQ-UHFFFAOYSA-N 314.816 4.792 30 20 DJED CC(C)c1ccc(CN(Cc2ccc(C#N)cc2F)C2CC2)cc1 1664161962 VAIQEFIIPROWCH-UHFFFAOYSA-N 322.427 4.985 30 20 DJED CCc1ccc(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)s1 18065736 MJPFWLMACWWECB-QPJJXVBHSA-N 321.785 4.768 30 20 DJED Cc1cccnc1[C@H](NCc1ccccc1C(C)(C)C#N)C(C)C 135233918 DCUWEDAKPXOZAK-LJQANCHMSA-N 321.468 4.678 30 20 DJED C=C(C)CN(CC)C(=O)N[C@@H](C)c1cc2ccccc2s1 170956636 NXAINQZPVQRGPK-ZDUSSCGKSA-N 302.443 4.570 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)[C@H](C)CC2CCCC2)n1 177761303 QEAXOVULMUUJFK-TZMCWYRMSA-N 304.459 4.659 30 20 DJED N#Cc1ccccc1C(=O)/C=C/c1cccc(-c2cccnc2)c1 194590638 JJZXUAXRFVVOJM-ZHACJKMWSA-N 310.356 4.516 30 20 DJED N#CCCCCNCc1ccc(-c2cccc(Cl)c2)s1 237783374 JBPQZOWLSGPYPT-UHFFFAOYSA-N 304.846 4.852 30 20 DJED N#Cc1cc(F)ccc1CN1CCC[C@H]1c1ccccc1Cl 303131769 BHIHEPHKODTIDQ-SFHVURJKSA-N 314.791 4.688 30 20 DJED N#Cc1cc(F)ccc1CSc1nc2ccc(Cl)cc2[nH]1 303233862 ZKRIKGMXESVOGQ-UHFFFAOYSA-N 317.776 4.519 30 20 DJED Cc1cc([C@H](C)Nc2nc(C)c(C#N)cc2Cl)c(C)s1 312652396 YTBXQIQDHINEJM-JTQLQIEISA-N 305.834 4.767 30 20 DJED CCC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 325117268 ORYMBIHQLOLIFT-IFXJQAMLSA-N 323.396 4.658 30 20 DJED O/C(CCc1nc2ccccc2o1)=N/C12CC3CC(CC(C3)C1)C2 328926245 OSKCWWMQJAOGLY-UHFFFAOYSA-N 324.424 4.686 30 20 DJED C=CCOc1ccccc1CN[C@H](CC)c1ccccc1OC 390348279 XXSQXNHTKBGSKO-GOSISDBHSA-N 311.425 4.501 30 20 DJED C=C(C)C(C)(C)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 424656968 BJZFMRQPSPZNJF-UHFFFAOYSA-N 316.445 4.520 30 20 DJED N#Cc1ccc(NCC[C@H](c2ccccc2)C(F)(F)F)cc1 432143560 PCUJJELZSNBBAG-MRXNPFEDSA-N 304.315 4.706 30 20 DJED N#C[C@H]1CC[C@@H](Nc2cccc(OCc3ccc(F)cc3)c2)C1 442863342 CKTFEIWGTCWVJW-MAUKXSAKSA-N 310.372 4.509 30 20 DJED CC[C@H](N[C@@H](CC)c1ccc(OC)cc1)c1ccc(C#N)cc1 447511237 SNDJNMDLOHBBEG-PMACEKPBSA-N 308.425 4.759 30 20 DJED C=CC(C)(C)C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 448646788 DRCFPIDUFRTQFY-GFCCVEGCSA-N 314.454 4.508 30 20 DJED C=CCC(CC=C)C(=O)N1CC[C@@H](c2ccccc2)[C@@H](CC)C1 467322702 WFYUOJXPUGDBPM-FXAWDEMLSA-N 311.469 4.797 30 20 DJED C=CCC(C)(C)C(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 504978565 GQASCPGGMURUEI-LBPRGKRZSA-N 313.363 4.527 30 20 DJED C=CCN(CC=C)C(=O)[C@H](C)Sc1ccc2ccccc2c1 514959333 RFJZBLBRSARCIF-HNNXBMFYSA-N 311.450 4.521 30 20 DJED N#Cc1c(NC(=O)C2CCCCCC2)sc2c1CCCCC2 523183207 XFWIMAZHBZENSM-UHFFFAOYSA-N 316.470 4.798 30 20 DJED CC(C)(C)[C@H](NCc1ccc(C#N)cc1F)c1cccc(F)c1 532987495 WFCGXMRMCUNCGE-GOSISDBHSA-N 314.379 4.713 30 20 DJED C=C(CC)CS[C@@H](C)C(=O)Nc1ccc(F)cc1Cl 537993171 MCZWAGIIUUSUNU-JTQLQIEISA-N 301.814 4.506 30 20 DJED C[C@@H](NCc1cccc(Cl)c1Cl)c1cccc(C#N)c1 538397047 NQZCTKKKNXJIBU-LLVKDONJSA-N 305.208 4.716 30 20 DJED Cc1ccccc1[C@H](CC(C)C)NCc1cccc(C#N)c1F 539259909 DLLDIASGVZXIDW-IBGZPJMESA-N 310.416 4.883 30 20 DJED Cc1ccnc(N[C@H](c2ccccc2)c2ccc(F)cc2)c1C#N 543134408 SHNUXRFHJSJRGU-LJQANCHMSA-N 317.367 4.602 30 20 DJED Cc1csc(NC(=O)C[C@H](c2ccccc2)C(C)C)c1C#N 570005072 GDWBJISGCQEYMT-HNNXBMFYSA-N 312.438 4.697 30 20 DJED CC(C)(CCC#N)CN1CC(Cc2ccc(C(F)(F)F)cc2)C1 590967476 BYBZCWNSKQEWKI-UHFFFAOYSA-N 324.390 4.510 30 20 DJED Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCCc2cc(C#N)ccc21 611392413 QIBNWBLCXZCFDG-SFTDATJTSA-N 302.421 4.521 30 20 DJED CC[C@H](C)Sc1ccc(NC(=O)NCC(C)(C)C#N)c(C)c1 611621022 DRMIFIGAPGXIAC-ZDUSSCGKSA-N 319.474 4.557 30 20 DJED C=CCN(Cc1ccccc1)C(=O)CCc1ccc(Cl)s1 611824101 JSCMMVGUDXKAID-UHFFFAOYSA-N 319.857 4.549 30 20 DJED C#Cc1cccc(NC(=S)N[C@H](CC(C)C)c2ccccc2)c1 726445712 YMGCERKTSJMKOM-LJQANCHMSA-N 322.477 4.742 30 20 DJED C#Cc1cccc(NC(=S)Nc2ccc(OC(C)C)cc2C)c1 726474662 XQIACVLJQANMQK-UHFFFAOYSA-N 324.449 4.572 30 20 DJED CC1=CC(=NNc2nc(Cl)c(Cl)cc2Cl)CCC1 727253934 NVUGJDAEXRUIRR-UHFFFAOYSA-N 304.608 4.940 30 20 DJED C=CCN(C(=O)N[C@@H](CCCC)c1ccc(OC)cc1)C(C)C 728751611 IKTJYUSHANINBY-SFHVURJKSA-N 318.461 4.533 30 20 DJED CC(C)c1cccc(NC(=S)N(CCC#N)CC(C)(C)C)c1 729646378 UTZGMBBBZRYESK-UHFFFAOYSA-N 317.502 4.769 30 20 DJED O=C1/C(=C/c2ccc(OC(F)F)c(Cl)c2)Cc2ccccc21 731488492 HVEFEKRRWJHJKJ-KPKJPENVSA-N 320.722 4.764 30 20 DJED CCCC[C@H](CC)CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 735791461 YXTICAJTQGFYSA-GJZGRUSLSA-N 311.429 4.654 30 20 DJED C[C@@H]1CC(=NNc2nccnc2Cl)C[C@H](c2ccccc2)C1 749858089 HAFHBFNRRUURNN-GXTWGEPZSA-N 314.820 4.502 30 20 DJED Cc1ccc(OC(F)F)c(/C=C/C(=O)c2ccc(F)cc2F)c1 756789554 YMMSKYUXWARREZ-ZZXKWVIFSA-N 324.273 4.771 30 20 DJED CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1cc(C#N)cs1 766039284 TVGDPWQTXRSGSR-UHFFFAOYSA-N 324.449 4.510 30 20 DJED C=CCCCCNC(=S)Nc1ccc(SC(F)F)cc1 769760288 KVLFRKPLGIZCNF-UHFFFAOYSA-N 316.442 4.644 30 20 DJED C[C@H]1CC/C(=C\C(=O)Nc2cc(C(C)(C)C)sc2C#N)C1 774162475 ITZDPXSXDHNRHB-SERMCNLOSA-N 302.443 4.602 30 20 DJED CC[C@@H](Nc1ccc(OC(F)F)cc1)c1ccc(C#N)cc1 774271955 MQQUKLBWBPPGML-MRXNPFEDSA-N 302.324 4.723 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2Nc1cc2ccccc2c(Cl)n1 784832180 JZBUXFYZAFLBIR-KRWDZBQOSA-N 319.795 4.859 30 20 DJED CC(=NO[C@@H](C)c1ccc(C#N)cc1)c1cc2ccccc2o1 794712726 CSECKRSFAJXLBQ-AWEZNQCLSA-N 304.349 4.806 30 20 DJED C=CC[C@H](CC)NC(=O)N[C@H](C)c1csc2ccccc12 798406611 VZSXNFZRPFKAGQ-OLZOCXBDSA-N 302.443 4.616 30 20 DJED C[C@H](SCCO[C@H](C)C#N)c1ccc(Cl)cc1Cl 802750037 VGWHIPNPPQULJX-ZJUUUORDSA-N 304.242 4.716 30 20 DJED N#CCCCCCC(=O)OCc1c(Cl)cccc1Cl 805695921 OCRHUFSQGNRPDJ-UHFFFAOYSA-N 300.185 4.511 30 20 DJED CCc1ccc(N(CCCC2(C#N)CCOCC2)C(C)C)cc1 810032191 HFRCWYOICCJTRN-UHFFFAOYSA-N 314.473 4.564 30 20 DJED O=C1/C(=C\c2cscc2C(F)(F)F)Cc2c(F)cccc21 811689758 KSTNOMKQQTWZFL-YWEYNIOJSA-N 312.287 4.728 30 20 DJED C=C[C@H](CC)CC(=O)N(c1ccccc1)c1nc(C)cs1 901285251 HIRUNTFDUGSGKW-CQSZACIVSA-N 300.427 4.719 30 20 DJED C=C(C)CN(CC)C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C 915261137 SGTXNZOXXVXHOC-QGZVFWFLSA-N 324.468 4.752 30 20 DJED CCCCCCCC(=O)c1ccc(OC(=O)C(C)(C)C#N)cc1 917529642 SYULNRNOLPEYLD-UHFFFAOYSA-N 315.413 4.685 30 20 DJED Cc1ccccc1CSCc1ccc(C#N)cc1OC(F)F 1164504757 KXYMDFMCGPVMJS-UHFFFAOYSA-N 319.376 4.902 30 20 DJED CC(C)(C)CN(CC(C)(C)C)C(=O)Nc1ccc(F)c(C#N)c1 1199705178 IDDYOXJQOJHUFO-UHFFFAOYSA-N 319.424 4.623 30 20 DJED COc1ccc(C#N)cc1N[C@H](C)CC(C)(C)c1ccccc1 1308676841 KLOHGVJXALCMCR-OAHLLOKOSA-N 308.425 4.735 30 20 DJED N#Cc1ccc(-c2nnc([C@H]3CCC[C@H]3c3ccccc3)o2)cc1 1329220945 AKUJEVAEOGAWMT-ROUUACIJSA-N 315.376 4.660 30 20 DJED CC(C)CC[C@@H](NC(=O)CC1(C#N)CCCCC1)C(C)(C)C 1456416637 ZRRJXMBNTOIACF-MRXNPFEDSA-N 306.494 4.818 30 20 DJED CCCC[C@H](CC)Nc1ccc(NC(=O)OCC)c(C#N)c1 1474434495 BGFSZPKNKAVJBD-AWEZNQCLSA-N 303.406 4.507 30 20 DJED CC(C)CC[C@@H]1CCC[C@H]1NC(=O)CC1(C#N)CCCCC1 1520534472 YXTKLSCUOVHXSL-DLBZAZTESA-N 304.478 4.572 30 20 DJED C=C(Br)CN1CCCC[C@H]1CCCc1ccccc1 1559669928 VHVNVLOTZYBGRL-KRWDZBQOSA-N 322.290 4.772 30 20 DJED Cc1cc(CN2CCCCC[C@H]2c2ccccc2)ccc1C#N 1560681424 JQCITZOWTFVOSO-NRFANRHFSA-N 304.437 4.984 30 20 DJED Cc1ccc(Br)cc1CSc1ccc(C#N)cc1 1613488753 TYULQIAMDYPSKI-UHFFFAOYSA-N 318.239 4.922 30 20 DJED Cc1oc2ccccc2c1CN(Cc1ccc(C#N)cc1)C1CC1 1621198543 JGQHEJZWBRAVCE-UHFFFAOYSA-N 316.404 4.778 30 20 DJED CCc1nc(C#N)cc(N[C@H](C)c2sc3ccccc3c2C)n1 1639750112 LXJKLOQPOBPBBE-GFCCVEGCSA-N 322.437 4.607 30 20 DJED C[C@@H]1[C@@H](Nc2c(Br)cccc2C#N)CCC[C@H]1C 1641979275 SASNHWOBNCQSNU-SUNKGSAMSA-N 307.235 4.557 30 20 DJED CCN(Cc1cccc(-c2ccc(Cl)cc2)c1)C[C@H](C)C#N 1651960405 QEUFWNNWJGIKNK-OAHLLOKOSA-N 312.844 4.989 30 20 DJED CSc1ccccc1CN(Cc1ccc(C#N)cc1)C(C)C 1652383631 PPQVLQUKXUPQKQ-UHFFFAOYSA-N 310.466 4.691 30 20 DJED C=C(Br)CN1CCC[C@@H]1[C@@H](CC)c1ccccc1 1652582984 PZNLMDWKEOCBFI-JKSUJKDBSA-N 308.263 4.553 30 20 DJED CC1(C)C[C@H](c2ccccc2)N(c2nc(Cl)c(C#N)s2)C1 1655595938 OBKSPLNWAZLWHD-GFCCVEGCSA-N 317.845 4.646 30 20 DJED CC(C)N(Cc1ccc(F)c(C#N)c1)[C@@H](C)c1ccsc1 1659056260 WBIFAGUTMUJYJK-ZDUSSCGKSA-N 302.418 4.730 30 20 DJED Cc1ccsc1C(=O)/C=C/c1cccc(OCCCC#N)c1 72614262 YWZKKFIMIMPBCQ-BQYQJAHWSA-N 311.406 4.635 30 20 DJED CCc1ccc(NC(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)cc1 118791103 DPOJWZJPGDUXIQ-HNNXBMFYSA-N 321.424 4.736 30 20 DJED Cc1ccc(Cl)c(NCc2ccc(O[C@H](C)C#N)cc2)c1 124032236 RVHZBKAIAWEGJW-CYBMUJFWSA-N 300.789 4.551 30 20 DJED C#CCOc1ccc([C@@H](C)N[C@H]2CCSc3ccccc32)cc1 155397002 GSMQVVDIEPQFFM-BEFAXECRSA-N 323.461 4.586 30 20 DJED Cc1[nH]c(SCCCC(C)(C)C#N)nc1Cc1ccccc1 177156600 QHMSJILJTOCOSO-UHFFFAOYSA-N 313.470 4.731 30 20 DJED C[C@@H](c1cccs1)N(C)c1ccc(C#N)c(Br)c1 228182121 MZEJAJMSMSSPBJ-JTQLQIEISA-N 321.243 4.580 30 20 DJED C[C@H](Nc1ccc(OCC#N)cc1)c1cc2ccccc2s1 319321736 ZTEJBMZKCQZWLL-ZDUSSCGKSA-N 308.406 4.977 30 20 DJED CC1=C(C(O)=Nc2ccc(-c3n[nH]c(C)n3)c(Cl)c2)CCC1 329172114 AADDJAGWGRVJLB-UHFFFAOYSA-N 316.792 4.522 30 20 DJED C[C@@H]1C[C@H](/C(O)=N/[C@@H](CC2CCC2)c2ccccc2)CC(O)=N1 329651943 DAXXUNOQCAZKNA-COXVUDFISA-N 314.429 4.629 30 20 DJED C=CCCC1(C(=O)Nc2nc(-c3cccs3)cs2)CC1 358925002 AYMHAMRIAHDUAI-UHFFFAOYSA-N 304.440 4.557 30 20 DJED Cc1ccc(F)c(NC(=O)c2sc3ccc(C#N)cc3c2C)c1 429941668 YYXPAQATJVUDHW-UHFFFAOYSA-N 324.380 4.781 30 20 DJED Cc1ccc([C@H](C)N(C)C(=O)Nc2cccc(C#N)c2C)c(C)c1 431940269 TZIYSTXUBQZRSE-INIZCTEOSA-N 321.424 4.708 30 20 DJED C=CCC[C@@H](NC(=O)Nc1cccc2[nH]ccc12)c1ccccc1 435602798 FIOUAYAKJWQVLF-QGZVFWFLSA-N 319.408 4.997 30 20 DJED N#C[C@H]1CC[C@H](Nc2cc(Cl)ccc2OC2CCCC2)C1 442852067 KQSOWPTVOSSWRG-JSGCOSHPSA-N 304.821 4.766 30 20 DJED C=CC[C@H]1N(C(=O)Nc2cc(F)ccc2C)CCCC1(C)C 444818750 PMQREWULTCDFME-MRXNPFEDSA-N 304.409 4.733 30 20 DJED C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1cccc(C2CC2)c1 453244702 FKZCSUQNDCGGJT-KBPBESRZSA-N 308.400 4.987 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1cccc2c1CN(CCC(C)C)C2 468004393 LGGCLUXWJWKABL-HXUWFJFHSA-N 314.473 4.589 30 20 DJED C=CC[C@@H](C(=O)N1CC[C@@H](c2ccc(F)cc2)C1)c1ccccc1 478215572 XJRAZZXZEHLGNQ-UYAOXDASSA-N 323.411 4.502 30 20 DJED CC(C)(C#N)CCCSCCOc1ccc(Cl)c(F)c1 479560460 QLCZBMYTUKDNLX-UHFFFAOYSA-N 315.841 4.921 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1ccccc1Cc1ccccc1 486760563 JDDZQHYFRMVMSN-IBGZPJMESA-N 320.436 4.850 30 20 DJED Cc1cc(CNC(c2ccccc2)c2ccccc2)ccc1C#N 488188847 YNNVOVQWBBXHGM-UHFFFAOYSA-N 312.416 4.746 30 20 DJED C=C[C@@H]1CCCCN1C(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 488879950 PRHQYRYRNDJFBP-GUDVDZBRSA-N 321.505 4.709 30 20 DJED CC1(CC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CCCCC1 510466436 WZAATZBBOSQSEB-MOPGFXCFSA-N 324.468 4.645 30 20 DJED C=C[C@@H](CC(=O)N[C@H](CC)c1ccc(OC)cc1)c1ccccc1 534604552 DJRTVCFJHKDNJQ-OXJNMPFZSA-N 323.436 4.622 30 20 DJED C=C[C@H](CC(=O)Nc1cccc(OC(F)F)c1)c1ccccc1 534638285 SWKZZRWPVPJUOR-CYBMUJFWSA-N 317.335 4.586 30 20 DJED C=CC[C@@H](CC)NC(=O)N[C@H](CC)c1ccc(Cl)s1 541091520 VGHUPKJEFDEWLF-GHMZBOCLSA-N 300.855 4.507 30 20 DJED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1F 552969322 MTOOFFHXIMHTNA-BLVKFPJESA-N 312.363 4.565 30 20 DJED C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cc2ccccc2o1 567315777 BXSPKGWRORVCBS-FZKQIMNGSA-N 302.377 4.643 30 20 DJED COc1cc(CN[C@@H](C)c2cccc3ccccc23)ccc1C#N 570322629 FGSRHVVLGCSFCC-HNNXBMFYSA-N 316.404 4.571 30 20 DJED N#C[C@@H](C(=O)c1sccc1C1CC1)c1ccc2ccccc2n1 591862332 PRDNFUJXNPQXBP-OAHLLOKOSA-N 318.401 4.664 30 20 DJED C/C(=C/c1ccccc1C(F)(F)F)CN1CCC[C@H](CC#N)C1 597176720 JKICQHRQOVDMNB-QKXCFHHRSA-N 322.374 4.734 30 20 DJED CC(C)Oc1ccccc1[C@@H](C)N[C@H](C#N)C1CCCCC1 609676843 BFHMQHQUFSALGV-CRAIPNDOSA-N 300.446 4.597 30 20 DJED C[C@H](Nc1ncc(C#N)cc1Cl)c1ccc(F)cc1Cl 609893999 IFLGRHRJMMQKFS-QMMMGPOBSA-N 310.159 4.572 30 20 DJED C=CCN(C(=O)N[C@@H](C)c1csc2ccccc12)C(C)C 730068501 OCRJESLQVRYOST-ZDUSSCGKSA-N 302.443 4.568 30 20 DJED Cc1cc(C)cc(NC(=S)N[C@H](CCC#N)c2ccccc2)c1 747710489 UWUQTTHUUJPFFE-GOSISDBHSA-N 323.465 4.635 30 20 DJED Cc1ccsc1CCCC(=O)O[C@@H](C)c1cccc(C#N)c1 748842392 PFICUZWUCZBKKS-AWEZNQCLSA-N 313.422 4.555 30 20 DJED O=C(/C=C/c1ccc(Cl)nc1)c1cc(Cl)ccc1Cl 748994747 SKAYQSXZRBXNOF-ORCRQEGFSA-N 312.583 4.938 30 20 DJED Fc1ccc(C=NOc2ccccc2C(F)(F)F)c(Cl)c1 754712875 WJUKUKBVGUGGTI-UHFFFAOYSA-N 317.669 4.911 30 20 DJED CCCCCCCS(=O)(=O)[C@H](C)c1cccc(Cl)c1 764742170 HWEPECQHQPCWNF-CYBMUJFWSA-N 302.867 4.786 30 20 DJED C#CCOc1ccccc1CN[C@H](CC)c1ccc(Cl)s1 772987586 LHWPIAHHPNXYFT-CQSZACIVSA-N 319.857 4.654 30 20 DJED C#CCCCCC(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1 773306546 DMUUGIZGYQIYMM-UHFFFAOYSA-N 322.408 4.623 30 20 DJED Cc1[nH]c2ccccc2c1C(=O)/C=C/c1nc2c(s1)CCCC2 776263135 APPBHMXTMDWQTA-ZHACJKMWSA-N 322.433 4.708 30 20 DJED C[C@@H](CC(=O)O[C@H](C#N)C1CCCCC1)c1c[nH]c2ccccc12 787225858 ORXDXVJKOMINHT-IFXJQAMLSA-N 324.424 4.677 30 20 DJED Cc1ccc(-c2cncc(F)c2)cc1N=Cc1ccccc1O 800790188 FPAATFNTNWPYRJ-UHFFFAOYSA-N 306.340 4.652 30 20 DJED CC(Cc1ccc(O)cc1)=NNc1nc(-c2ccccc2)cs1 814769400 NXGHJSZZECJXMB-UHFFFAOYSA-N 323.421 4.546 30 20 DJED C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2cccc(C3CC3)c2)cc1 824462627 HMOASDJZSPXCIN-HOTGVXAUSA-N 320.436 4.706 30 20 DJED COCc1csc(/C=C2/C(=O)c3cccc4c3[C@@H]2CCC4)c1 849247751 XIGCYEPMVYZEFF-GFHWABCWSA-N 310.418 4.594 30 20 DJED CCCCCCCCCC(=O)Nc1ccc(F)c(NC(C)=O)c1 889816847 NMJBBTKDBSSPSK-UHFFFAOYSA-N 322.424 4.863 30 20 DJED CCCCCCCCC(=O)Nc1cccc(NC(=O)C(C)C)c1 914727396 CKYZOUFTKUGNFM-UHFFFAOYSA-N 318.461 4.970 30 20 DJED C=CCOc1cccc(/C=C\C(=O)c2ccc(Cl)s2)c1 916135641 BORNHUGRZYPVDZ-SREVYHEPSA-N 304.798 4.862 30 20 DJED COc1cccc(/C=N\[C@H](C)c2ccccc2C(F)(F)F)c1O 920177872 LYSBJGURIJSFMM-VARIZKOUSA-N 323.314 4.600 30 20 DJED C=C1CCN(C(=O)Nc2cccc(-c3ccccc3OC)c2)CC1 1119807563 CWLVCRXLFSVINS-UHFFFAOYSA-N 322.408 4.546 30 20 DJED COc1ccccc1[C@@H](CC(C)C)Nc1cccc(F)c1C#N 1185657853 JAYKUHPICIVWBZ-GOSISDBHSA-N 312.388 4.905 30 20 DJED Cc1nc(SCc2ccc(C#N)s2)[nH]c1-c1ccccc1 1189174404 SZFAXOKUEIEBFO-UHFFFAOYSA-N 311.435 4.611 30 20 DJED CC(C)Cn1ccc2c(C(=O)O[C@@H]3CCC[C@H](C#N)C3)cccc21 1275464247 KXINQSVLXINCCB-JKSUJKDBSA-N 324.424 4.536 30 20 DJED CC(C)CCN(CCC#N)c1ncnc2ccc(C(C)C)cc12 1307075932 YZZRZISJVBVVQM-UHFFFAOYSA-N 310.445 4.519 30 20 DJED C[C@@H](CC(C)(C)c1ccccc1)N[C@@H]1CCc2cc(C#N)ccc21 1308738244 RCVULQCZHFFGJD-HRAATJIYSA-N 318.464 4.892 30 20 DJED C/C(=C/C(=O)[C@H](C#N)c1nc(C(C)C)cs1)c1cccs1 1342713668 AFJIBNUMGGUFAY-RDQDRAATSA-N 316.451 4.608 30 20 DJED CC(C)(C)C[C@@H](NC(=O)c1csc(C#N)c1)c1ccccc1 1354114119 CERMCNPCRPGIMQ-MRXNPFEDSA-N 312.438 4.527 30 20 DJED CCN(C(=O)c1ccc(C#N)cc1F)c1ccc2ccccc2c1 1434940337 PHRJUHKFSGCKBR-UHFFFAOYSA-N 318.351 4.517 30 20 DJED C[C@@H](SCc1cc(C#N)ccn1)c1cccc(C(F)(F)F)c1 1459197134 QMAPJGTWYFLYHE-LLVKDONJSA-N 322.355 4.966 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccccc1C1CC1 1473179666 HSWWSHOVJKDGFE-FGZHOGPDSA-N 316.448 4.836 30 20 DJED Cc1cc(C#N)ccc1CN1CC(C)(C)c2c(Cl)cccc21 1473264905 FRGALUOGRKLRCM-UHFFFAOYSA-N 310.828 4.818 30 20 DJED N#CC1(CC(=O)N2CC3(CCCC3)c3ccccc32)CCCCC1 1524875220 WJYCYDFTTKPXOJ-UHFFFAOYSA-N 322.452 4.709 30 20 DJED CC(C)[C@H](C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1cccc(Cl)c1 1583565139 CINOEAXYOKXIAU-XKQJLSEDSA-N 319.832 4.705 30 20 DJED Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccccc1CC#N 1627849559 NASZZNCTZUROSC-HXUWFJFHSA-N 320.436 4.578 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2cccc(C(C)C)c2)cc1 1631762696 LMVAHNZQJYUYGY-UHFFFAOYSA-N 306.409 4.679 30 20 DJED C[C@@]1(c2ccccc2)CCCN(CCC2(C#N)CCCCC2)C1 1641747726 VHIBNCBLNGHMJE-HXUWFJFHSA-N 310.485 4.904 30 20 DJED C[C@@H](Nc1nc(C#N)c(Cl)s1)c1cccc(C2CC2)c1 1651098609 GGCGLBXSCUKHHR-SECBINFHSA-N 303.818 4.719 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)C[C@H]1CCc2ccccc21 1651905824 MEUSNZNEPITZGK-OAQYLSRUSA-N 318.464 4.746 30 20 DJED CC(C)[C@H]1CCCN1Cc1ccc(-c2ccccc2C#N)cc1 1652571922 UFRVKQAJRJYBSL-OAQYLSRUSA-N 304.437 4.846 30 20 DJED CCO[C@@H]1C[C@@H](N(C)CCC2(C#N)CCCCC2)C1(CC)CC 1652781480 WSESZPZGGYJGST-QZTJIDSGSA-N 320.521 4.766 30 20 DJED CC(C)(C#N)CCN(Cc1ccccc1F)c1ccc(F)cc1 1653668508 UZOMVOSBCNGKNW-UHFFFAOYSA-N 314.379 4.911 30 20 DJED C[C@H](Sc1cc(C#N)cnn1)c1ccc(Cl)c(Cl)c1 1655179593 UJHDKGXITJSGMI-QMMMGPOBSA-N 310.209 4.508 30 20 DJED CC(=NNc1ccc(Cl)c(C(=O)O)c1)[C@@H]1CCCC[C@@H]1C 1776033806 KBQXFNGQPGYFRI-GXFFZTMASA-N 308.809 4.652 30 20 DJED Cc1nc(S[C@@H](C)C#N)c2cc(-c3ccccc3)sc2n1 6114425 AOMJECPYSAGJEN-JTQLQIEISA-N 311.435 4.671 30 20 DJED C=CCN(C(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 60525589 MTRYETKFZZRYCQ-UHFFFAOYSA-N 305.299 4.538 30 20 DJED Cc1c([C@H](C)N[C@H](CCC#N)c2ccccc2)cccc1[N+](=O)[O-] 90664994 ZJZSOHXQBGZODH-MAUKXSAKSA-N 323.396 4.599 30 20 DJED C=C(C)CN(CC)CCC(=O)Nc1ccccc1-c1ccccc1 97006619 QWENVFLKJAWROL-UHFFFAOYSA-N 322.452 4.580 30 20 DJED COc1ccccc1[C@H](CC(C)C)NCc1ccc(C#N)s1 176980986 BOLARVNLJYRBDN-KRWDZBQOSA-N 314.454 4.505 30 20 DJED CC[C@H](C)Oc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)cc1 177555444 YFGUFFADJUOYGK-JKSUJKDBSA-N 324.424 4.767 30 20 DJED Cc1c(C#N)cccc1NC(=O)N(C)[C@@H](c1ccccc1)C(C)C 178544431 AXKKELIAGLAVQH-LJQANCHMSA-N 321.424 4.728 30 20 DJED C=CCN(C(=O)Cc1ccc2ccccc2c1)c1ccccc1 226081359 PGOXAXMASFIJRR-UHFFFAOYSA-N 301.389 4.602 30 20 DJED C=C(C)CN(CC)C(=O)CS[C@@H](C)c1ccc(Cl)cc1 302965359 HDOUENURVCQLAA-ZDUSSCGKSA-N 311.878 4.559 30 20 DJED C[C@H](Nc1ccc(OCC#N)cc1)c1cccc2ccccc12 319840216 OOEWTYHVHKENLI-HNNXBMFYSA-N 302.377 4.915 30 20 DJED C[C@@H]1C[C@H](C(O)=Nc2cccc(OC3CCCC3)c2)CCC1=O 328918198 SAXOXRBWKRQWPS-ZIAGYGMSSA-N 315.413 4.601 30 20 DJED Cc1nc(CC2CC2)oc1/C(O)=N/[C@@H]1CCCCC12CCCC2 329601775 FIIWJEFYZIOYMO-OAHLLOKOSA-N 316.445 4.743 30 20 DJED C=CCCC[C@@H](C)NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 409896497 KCRBCLTUZMJMSB-CHWSQXEVSA-N 313.363 4.670 30 20 DJED CCOc1ccccc1[C@@H](CC)NCCCCC(C)(C)C#N 444668385 CCNLJIPMDXTDPE-QGZVFWFLSA-N 302.462 4.846 30 20 DJED C=CCC[C@H](N[C@H]1CCC[C@H](c2ccnn2C)C1)c1ccccc1 448021140 GXPBZSLIEGAHGG-UFYCRDLUSA-N 323.484 4.743 30 20 DJED C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)c1cccc(C#N)c1 463066743 BCTXQWPDUVXUQF-JTQLQIEISA-N 319.191 4.607 30 20 DJED CC(C)c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1Cl 466917505 CPVFLXVPZBEFRR-UHFFFAOYSA-N 312.800 4.782 30 20 DJED CCN(c1ccccc1)c1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 472126185 MNRTUUIIJBUDHI-MOPGFXCFSA-N 319.452 4.626 30 20 DJED C[C@@H](Nc1ccc(Cl)c(C#N)n1)c1cc2cccc(F)c2o1 473915144 UCNQCNXXOMZGMA-SECBINFHSA-N 315.735 4.665 30 20 DJED COCCCC[C@H](Nc1cccc(F)c1C#N)c1ccccc1 480579733 LLWSWWCSXGFYFS-SFHVURJKSA-N 312.388 4.667 30 20 DJED N#Cc1cccc(CN[C@H]2CCCCc3ccc(Cl)cc32)c1 480815425 VHLKUAJPMUGGJI-IBGZPJMESA-N 310.828 4.769 30 20 DJED N#Cc1cccc(-c2csc(NC(=O)CC3=CCCCC3)n2)c1 502355365 PORUNYJDGYKYLN-UHFFFAOYSA-N 323.421 4.511 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C(C)(C)C)CC1 531319971 NMRXUJYBBSNCOE-INIZCTEOSA-N 313.445 4.547 30 20 DJED Cc1ccc([C@@H](C)NC2CCC(Oc3ccccc3C#N)CC2)o1 537980030 GLXHRWAUQSHOQD-FAEJEUNOSA-N 324.424 4.501 30 20 DJED C=C(CC)CN[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 538129824 KEYFBHMZSYTYCX-INIZCTEOSA-N 308.425 4.556 30 20 DJED C=CCCOCCCCc1nc([C@H]2CCCC[C@H]2CC)no1 551184303 IQNXFAZNOFBUSH-CVEARBPZSA-N 306.450 4.669 30 20 DJED C=CCC(C)(C)c1noc(-c2cccc(Oc3ccncc3)c2)n1 551490452 QCJMEJPVSYCUAA-UHFFFAOYSA-N 321.380 4.778 30 20 DJED Cc1nsc(Nc2cccc(CCC(F)(F)F)c2)c1C#N 573130691 NPBXAXOTSFWZMH-UHFFFAOYSA-N 311.332 4.562 30 20 DJED C=C(C)CN(CC)C(=O)Nc1cccc(C#Cc2cccs2)c1 591486841 RNGPJKPYPWMAET-UHFFFAOYSA-N 324.449 4.578 30 20 DJED CSc1ccc(-c2ccc(C3(C#N)CCOCC3)cc2)cc1 592984634 FSXOQBWXCSBIDJ-UHFFFAOYSA-N 309.434 4.647 30 20 DJED N#C[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)C1CCCCC1 609648606 TTWSXTLJURHVRA-CQSZACIVSA-N 305.834 4.781 30 20 DJED N#CCCCCSCc1cc(Cl)ccc1OC(F)F 610797733 SOAILPXEJUAKDU-UHFFFAOYSA-N 305.777 4.868 30 20 DJED N#C[C@H]1CCC[C@H](Nc2ccc(F)cc2OC2CCCC2)C1 613252177 ATRGRCANLCBTJX-ZFWWWQNUSA-N 302.393 4.641 30 20 DJED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(F)c(Cl)c1 618801295 ABCSYKKWRKRBQN-ZMZPIMSZSA-N 314.791 4.689 30 20 DJED Cc1cc(Cl)cc(C)c1CN[C@@H]1CCc2cc(C#N)ccc21 618831281 FWFFAEXCEXJTOD-LJQANCHMSA-N 310.828 4.606 30 20 DJED C=CC[C@H]1CCCN(C(=O)Nc2c(CC)cccc2CC)C1 665177063 UTCWAYQKPPLFBK-HNNXBMFYSA-N 300.446 4.631 30 20 DJED O=C1/C(=C/c2cccc(O)c2)Cc2c1ccc(Cl)c2Cl 729149845 IEWILXJZPRGWDG-UXBLZVDNSA-N 305.160 4.521 30 20 DJED O=C1/C(=C\c2cccc(OC(F)(F)F)c2)Cc2cc(F)ccc21 734305154 KENJMPCFMSJSIO-SDQBBNPISA-N 322.257 4.547 30 20 DJED O=C(/C=C/c1ccc(SC(F)(F)F)cc1)c1cncs1 735792720 JGXKXWZSHSPKQA-ZZXKWVIFSA-N 315.341 4.651 30 20 DJED C[C@@H]1Sc2sccc2C(=O)/C1=C/c1ccc(F)c(F)c1 742436612 MIEYFKFRPYHXCN-KIFNTFBYSA-N 308.374 4.787 30 20 DJED CC(C)Oc1ccccc1C=NOc1ccccc1C(F)(F)F 754725310 SVHLYVOADSBCJZ-UHFFFAOYSA-N 323.314 4.906 30 20 DJED O=C(/C=C\c1cc(C(F)(F)F)ccc1F)c1ccccc1F 757476009 UJFOAMGSLHLSKX-YVMONPNESA-N 312.237 4.880 30 20 DJED Clc1cccnc1NN=Cc1csc(Cl)c1Cl 761783288 XBRQWWHFJKESFW-UHFFFAOYSA-N 306.605 4.549 30 20 DJED O=C(/C=C/c1cccnc1Cl)c1ccc(-c2ccccc2)o1 761805099 XICUGKKHMVUXCV-CMDGGOBGSA-N 309.752 4.891 30 20 DJED COc1cc(F)cc(NN=Cc2csc(Cl)c2Cl)c1 761811642 VMGOOXXFAANIBP-UHFFFAOYSA-N 319.188 4.649 30 20 DJED CCc1ccc(C(=O)/C=C\c2sccc2Br)o1 764917422 RRJNZAWTZXRRFX-XQRVVYSFSA-N 311.200 4.562 30 20 DJED C=CCC[C@@H](N[C@H](C)c1ccc2c(c1)CCO2)c1ccccc1 773079230 XQSCWZMXWTUQQD-OXQOHEQNSA-N 307.437 4.980 30 20 DJED C#CCCCCC(=O)N1CCCC[C@@H]1CCCc1ccccc1 773494899 MEXNCAPDXRVKAM-HXUWFJFHSA-N 311.469 4.584 30 20 DJED CC(=NNc1cccc(C(F)(F)F)c1)c1ccc(Cl)cn1 774310591 PRFDOLWPOXUBKI-UHFFFAOYSA-N 313.710 4.590 30 20 DJED C#CCCCCC(=O)N1C[C@H](C)CSc2ccc(Cl)cc21 776366304 XKMNIIYJABRDHN-ZDUSSCGKSA-N 321.873 4.608 30 20 DJED CCc1cccnc1C(C)=NNc1nc(-c2ccccc2)cs1 779766654 HLACHSQFWGQFQT-UHFFFAOYSA-N 322.437 4.604 30 20 DJED C=CCCCCCOC(=O)Cc1nc(-c2ccsc2)oc1C 783395637 JHARNWWFIBCHAQ-UHFFFAOYSA-N 319.426 4.544 30 20 DJED C[C@@H](CNc1ccc(F)cc1OCC#N)c1cccc(Cl)c1 783658936 AEWIXGUFHDGYHV-LBPRGKRZSA-N 318.779 4.597 30 20 DJED CC(C)n1nccc1/C=C1/CCCc2ccc(Cl)cc2C1=O 794942843 QQRDDEUMEPPUKF-UVTDQMKNSA-N 314.816 4.720 30 20 DJED CCC(=NNc1ncccc1F)c1ccc2cc(OC)ccc2c1 794991218 WWPJDKGBOZTQDJ-UHFFFAOYSA-N 323.371 4.609 30 20 DJED N#Cc1ccccc1C(=O)/C=C\c1ccc(C(F)(F)F)s1 799499808 OOZRQOKCTOWJHG-ALCCZGGFSA-N 307.296 4.535 30 20 DJED C[C@H](C#N)OC(=O)/C=C\c1ccc(-c2ccccc2Cl)s1 900053347 FUSYDLZWXBWABM-GXMKHXEJSA-N 317.797 4.537 30 20 DJED CC(=NNc1ccc(Br)cc1)c1ccccc1C 912828158 UKEPSTPHFVSUAI-UHFFFAOYSA-N 303.203 4.594 30 20 DJED CC(C)c1ccc(/C=C/C(=O)c2ccc3c(c2)CCC(=O)N3)cc1 915993604 SVCUTSYSDWRIIK-VZUCSPMQSA-N 319.404 4.591 30 20 DJED COc1ccc(C(=O)/C=C\c2cc(C)c(C)cc2C)cc1OC 916137734 PNMKEHNXVLNREN-VURMDHGXSA-N 310.393 4.525 30 20 DJED C[C@@H](CCNc1ccnc(C#N)c1)c1cccc(C(F)(F)F)c1 1185630304 LLBUHFMCFNTPHC-LBPRGKRZSA-N 319.330 4.578 30 20 DJED CC(C)Oc1ccc(COc2ccc(C#N)cc2)cc1Cl 1225247332 KJOMUOWAADHNMG-UHFFFAOYSA-N 301.773 4.578 30 20 DJED CC(C)Oc1ccc(CNc2nc(C(C)(C)C)ccc2C#N)cc1 1306925045 JNUGQNSTPPITOM-UHFFFAOYSA-N 323.440 4.650 30 20 DJED C[C@H]1CCCC[C@H]1CNc1c(Br)cccc1C#N 1306951075 SNXJSYAVDYTLLM-AAEUAGOBSA-N 307.235 4.559 30 20 DJED CC(C)c1ccc2occ(C(=O)Nc3cc(F)cc(C#N)c3)c2c1 1438461697 DMTMKWPUEDGTPK-UHFFFAOYSA-N 322.339 4.819 30 20 DJED Cc1cc(C)nc(Nc2ccc(Oc3ccc(C#N)cc3)cc2)n1 1458134565 DHUIBGKIYDBMBL-UHFFFAOYSA-N 316.364 4.501 30 20 DJED Cc1cc(OCc2ccc(OC(C)C)c(Cl)c2)ccc1C#N 1473024863 FAWSMMKVLQBAFV-UHFFFAOYSA-N 315.800 4.886 30 20 DJED N#CCC1(CN2CCC(c3ccccc3C(F)(F)F)CC2)CC1 1473274633 CZWTYZJKLLEJKM-UHFFFAOYSA-N 322.374 4.579 30 20 DJED CC(C)CC(CC(C)C)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 1526210016 UNGJWONQEURICB-MRXNPFEDSA-N 314.473 4.786 30 20 DJED CC[C@H](C#N)N(CC)C(=O)[C@H](CC(C)C)c1ccc(Cl)cc1 1538757696 SVEKDBUZRUZAGL-IAGOWNOFSA-N 320.864 4.620 30 20 DJED N#Cc1ccc(N2CCCC23CCCCC3)cc1Br 1559142890 ZXRVOYVSXSKCDB-UHFFFAOYSA-N 319.246 4.624 30 20 DJED Cc1cc(N[C@@H]2C[C@H]2CC(C)C)n2c(nc3ccccc32)c1C#N 1559209216 QTXWHUIILXBYOQ-RHSMWYFYSA-N 318.424 4.514 30 20 DJED Cc1ccc(CN(C)Cc2ccccc2C(C)(C)C#N)cc1C 1559910138 WZKXIVBUGCFMTF-UHFFFAOYSA-N 306.453 4.737 30 20 DJED Cc1ccc(C#N)cc1NC(=O)NCC1(C)CCC(C)(C)CC1 1562450266 IWFXNSCUKWVXBT-UHFFFAOYSA-N 313.445 4.595 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N[C@H](CCC(C)C)C(C)(C)C 1562450681 ZCHJHPUSSFQYQP-QGZVFWFLSA-N 315.461 4.839 30 20 DJED Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(C#N)c(F)c1 1596288823 KPHCJKRLTRSCSZ-UHFFFAOYSA-N 320.323 4.518 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@@H]2Nc1nc(C#N)c(Cl)s1 1639284056 NICLJNJSOYXOFZ-JTQLQIEISA-N 321.833 4.695 30 20 DJED CCc1ccc([C@@H](NCc2ccc(C#N)cc2C)C(C)C)cc1 1644881371 OMZGSAURHARFHW-NRFANRHFSA-N 306.453 4.916 30 20 DJED CCC(CC)CN(CCC#N)Cc1cnc2ccc(C)cc2c1 1653501860 ZDWGDXFLHGQSEB-UHFFFAOYSA-N 309.457 4.695 30 20 DJED CCOC(=O)Nc1ccc(N[C@@H]2CCCCC2(C)C)cc1C#N 1664262074 KLKKBEHTNYAOPZ-MRXNPFEDSA-N 315.417 4.507 30 20 DJED C[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)C1CCCCCC1 1667926188 ILSGLRISLLZJGO-LBPRGKRZSA-N 319.836 4.692 30 20 DJED Cc1ccc(C=NN[C@@H](C)c2ccc(C(C)C)cc2)cc1C(=O)O 1776105921 JEEQIGLRCGFZEO-HNNXBMFYSA-N 324.424 4.501 30 20 DJED CCC[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 15567186 RYWJBBBMFGLWMQ-MRXNPFEDSA-N 312.800 4.734 30 20 DJED N#Cc1cc(CNC2(c3ccc(Cl)cc3)CCC2)ccc1F 119961414 IXSNCKHDKIGTIV-UHFFFAOYSA-N 314.791 4.520 30 20 DJED C=CCC(CC=C)C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 151778462 MGNKMFABGRDGEB-UHFFFAOYSA-N 315.844 4.724 30 20 DJED CC(C)c1ccc(N(C)C(=O)c2cccc(SCC#N)c2)cc1 155822024 DNTUZMOWEZSMSF-UHFFFAOYSA-N 324.449 4.702 30 20 DJED O=C(/C=C/c1cccnc1)c1ccc(Cl)c(C(F)(F)F)c1 162688700 IMLSGRAPRRBWDH-ZZXKWVIFSA-N 311.690 4.650 30 20 DJED CCCCC[C@H](CC)C(=O)Nc1ccccc1O[C@@H](C)C#N 182076276 QWSOUAFYXDJDQZ-GJZGRUSLSA-N 302.418 4.522 30 20 DJED C=C(C)[C@H](N[C@@H](C)c1cncc(C)c1)c1ccc(F)c(F)c1 186452388 AIPQDYRMGZWMAM-UGSOOPFHSA-N 302.368 4.636 30 20 DJED CC(C)(C#N)CCCC[S@@](=O)Cc1ccc(C(F)F)cc1 278040861 XNGFBFJUYNSCND-OAQYLSRUSA-N 313.413 4.593 30 20 DJED Cc1ccccc1CCCSCCCC1(C#N)CCOCC1 281859481 MTWPTUJICKYHIJ-UHFFFAOYSA-N 317.498 4.761 30 20 DJED CC[C@H](Nc1ccc([C@@H]2CCOC2)cc1)c1ccc(C#N)cc1 294931145 HKGVBKALCKDKPF-QUCCMNQESA-N 306.409 4.625 30 20 DJED N#Cc1c(F)cccc1N(Cc1ccco1)Cc1cccs1 303651733 XFLJDKITMCYLFN-UHFFFAOYSA-N 312.369 4.559 30 20 DJED OC(=Nc1cccc(-c2nc[nH]n2)c1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 328754132 DPXNBKBHKDFLQY-OFQRWUPVSA-N 324.428 4.666 30 20 DJED CC(O)=Nc1ncccc1N=C(O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 329641080 ZPJASAOQVQNPBO-SOUVJXGZSA-N 315.417 4.884 30 20 DJED CSc1ccc(C)c(C(O)=Nc2nnc(C(C)(C)C)s2)c1 330503000 DLXUFWRQFTUIKB-UHFFFAOYSA-N 321.471 4.502 30 20 DJED CC(C)Oc1cccc([C@@H](C)NCCCCC(C)(C)C#N)c1 444689108 MFXHPDQODFKECH-MRXNPFEDSA-N 302.462 4.844 30 20 DJED C=C(C)[C@@H](N[C@H](CC)c1ccncc1)c1ccc(F)c(F)c1 453195521 KMVICJHHOPPNLQ-QZTJIDSGSA-N 302.368 4.718 30 20 DJED C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1Cl 453250647 YIAODWUJMUJMIJ-ADLMAVQZSA-N 314.791 4.689 30 20 DJED N#Cc1cc(CSc2nc3cc(Cl)ccc3o2)ccc1F 468641368 KTVXYMRTQMSYST-UHFFFAOYSA-N 318.760 4.784 30 20 DJED C=CCCC[C@H](C)N[C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 474878920 AWNKPEZVRGYNRN-JYJNAYRXSA-N 305.462 4.530 30 20 DJED C=CCCCCCSCC(=O)Nc1cc(Cl)ccc1C#N 485595617 RRSSCAIWSJPDMD-UHFFFAOYSA-N 322.861 4.630 30 20 DJED N#Cc1ccc(F)c(CNc2ccccc2OC2CCCC2)c1 486119967 LWUAAIREZVQMBO-UHFFFAOYSA-N 310.372 4.631 30 20 DJED C=C[C@@H]1CCCCN1C(=O)CCCc1ccc2ccccc2c1 488820296 IGALDFQYHZGKQG-HXUWFJFHSA-N 307.437 4.730 30 20 DJED C[C@H](CC(=O)N[C@H](C#N)c1ccccc1Cl)C1CCCCC1 499931974 LXACPCRKNKQSDI-CXAGYDPISA-N 318.848 4.627 30 20 DJED FCCCCN[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 509007586 SPVVFUBYDFTYDG-LLVKDONJSA-N 317.248 4.648 30 20 DJED N#CC1(C(=O)Nc2ccc3oc4ccccc4c3c2)CCCC1 515337627 AKYFTCPZIRIZTI-UHFFFAOYSA-N 304.349 4.608 30 20 DJED C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cccc(OCCCC#N)c1 518801783 GSUKXRKXSIGPHQ-HZPDHXFCSA-N 314.429 4.524 30 20 DJED C=CC[C@H](C)NC(=O)c1ccc(CSc2ccccc2)cc1 522665646 OGGLKLALWTWSLX-HNNXBMFYSA-N 311.450 4.673 30 20 DJED C=CCCCSc1nnc(-c2cccc(Cl)c2)n1CC 524556283 UDHFOZYPYXQOLL-UHFFFAOYSA-N 307.850 4.677 30 20 DJED CC(C)(C)[C@@H](NCc1ccc(C#N)cc1F)c1cccc(F)c1 532987496 WFCGXMRMCUNCGE-SFHVURJKSA-N 314.379 4.713 30 20 DJED CC(C)CCOc1ccccc1CN[C@H](C)c1ccc(C#N)cc1 537465072 CDRJBFJXTNEMRO-QGZVFWFLSA-N 322.452 4.834 30 20 DJED N#CCc1ccc(CSc2nc3cc(Cl)ccc3o2)cc1 541286261 LMFOPVGBAORNRN-UHFFFAOYSA-N 314.797 4.840 30 20 DJED C[C@@H](NCC(C)(C)CCC#N)c1ccc(OC(C)(C)C)cc1 554078287 WEPLNHPGBFCPAC-OAHLLOKOSA-N 302.462 4.844 30 20 DJED N#Cc1c(F)cccc1SCc1nc2ccccc2s1 583910156 WMXBWWSRBUEEIU-UHFFFAOYSA-N 300.383 4.599 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)c1ccc(C(F)F)cc1 588032468 ISRVUBQCIUUCTP-UHFFFAOYSA-N 319.326 4.592 30 20 DJED C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)NCCCCC#N 595012034 MVLOYMZQLJDZIN-NSHDSACASA-N 318.770 4.573 30 20 DJED Cn1cc(C(=O)/C=C/c2nccc3ccccc23)c2ccccc21 740764798 GESONUXJHGYNCS-ZHACJKMWSA-N 312.372 4.623 30 20 DJED Fc1ccc2oc(C=NNc3ccc(OC(F)F)cc3)cc2c1 741762284 VBTYLKMAGXPOJX-UHFFFAOYSA-N 320.270 4.619 30 20 DJED N#CCCCCOC(=O)c1ccccc1Sc1ccccc1 744140671 LHXIOCSDHRMXSB-UHFFFAOYSA-N 311.406 4.688 30 20 DJED C=C(C)COc1cc(/C=C\C(=O)c2cccc(C)c2)ccc1OC 747063274 FUBSWBSUNLQGPG-NTMALXAHSA-N 322.404 4.855 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)s1 748994317 MHBXVNKUCQNQOA-GQCTYLIASA-N 308.189 4.823 30 20 DJED COc1cccc(O)c1C=Nc1cccc(CCC(F)(F)F)c1 753562838 FFMRHKWQIMJAGE-UHFFFAOYSA-N 323.314 4.646 30 20 DJED C[C@H](OC(=O)c1ccc(-c2ccc(F)cc2)s1)C(C)(C)C#N 753623355 JPOQNKXSLDCUTF-NSHDSACASA-N 317.385 4.649 30 20 DJED CCCCCCCC(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 754568732 OIPZMTPUNNMCKY-QZTJIDSGSA-N 321.436 4.523 30 20 DJED C#CC[C@@H](NC(=O)c1oc2c(C)cccc2c1C)c1ccccc1 757577302 GLPNKTNNQUUMBO-GOSISDBHSA-N 317.388 4.544 30 20 DJED C=CC[C@H](C(=O)OCCC(Cl)(Cl)Cl)c1ccccc1 778430983 YHQORUCSIMLQFI-LBPRGKRZSA-N 321.631 4.650 30 20 DJED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)c1csc2ccccc12 787192901 FMFMKNCNFFNKGU-ZIAGYGMSSA-N 314.454 4.712 30 20 DJED N#CCOc1ccc(C(=O)/C=C\c2csc3ccccc23)cc1 810216289 HGOFSNAOBCNQTH-YFHOEESVSA-N 319.385 4.700 30 20 DJED N#Cc1c(F)cccc1/C=C\C(=O)c1ccc2ccccc2c1 811684744 CRDRHRMBYIDGAK-KHPPLWFESA-N 301.320 4.747 30 20 DJED C/C(=C(/F)C(=O)Nc1ccccc1SC[C@H](C)C#N)C1CC1 900630254 JUJZVJLEWFNJAE-VSORXJBLSA-N 318.417 4.530 30 20 DJED CCOc1ccc(/C=C\C(=O)c2ccccc2C)cc1OCC 920991295 QUVFPHWWIPCIDS-BENRWUELSA-N 310.393 4.689 30 20 DJED C=CCCO[C@H](C)C(=O)Nc1ccc2c(c1)oc1ccccc12 921151576 RRDMANVAABPCIN-CYBMUJFWSA-N 309.365 4.506 30 20 DJED COc1cc(/C=C/C(=O)c2c(F)cccc2Cl)ccc1F 1117521941 WTFXOOLBAQUSTK-SOFGYWHQSA-N 308.711 4.523 30 20 DJED N#Cc1cncc(Nc2ccc(Oc3ccccc3Cl)cc2)n1 1162038206 QDIUXWCNRJESSG-UHFFFAOYSA-N 322.755 4.538 30 20 DJED CCCN(Cc1ccc(C)cc1)c1nc(C(C)(C)C)ccc1C#N 1162769449 JCVYLHYCCFTFKS-UHFFFAOYSA-N 321.468 4.976 30 20 DJED N#Cc1cccc(SCc2ccc(F)cc2Br)c1 1165754110 CGIRKKRNDVIXHV-UHFFFAOYSA-N 322.202 4.752 30 20 DJED C[C@@H](CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)CC(C)(C)C 1276284457 SWMMRCLOLZQAPS-KBXCAEBGSA-N 312.457 4.514 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)CCc1ccc2ccccc2c1 1307860124 NDBVMOPJVYKELO-KRWDZBQOSA-N 314.432 4.947 30 20 DJED CC(C)CCOc1cccc(NCc2ccc(C#N)cc2F)c1 1308227769 QKYVHNJIUFLTNO-UHFFFAOYSA-N 312.388 4.734 30 20 DJED CC(C)(C)c1ccc(NN=C2CC[C@@H]3CCCC[C@@H]3C2)nn1 1339230550 LGVCQXMQCHSFNZ-UONOGXRCSA-N 300.450 4.532 30 20 DJED C=CCC[C@H]1CCCN1C(=O)Nc1ccccc1CSC 1345851615 FYWAEZOADBOEHI-HNNXBMFYSA-N 304.459 4.512 30 20 DJED CC[C@H](OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccc(C)cc1 1358414860 LMTPIMCJXLNECT-ZCNNSNEGSA-N 319.404 4.665 30 20 DJED Cc1ccccc1C1(C(=O)Nc2cccc(C#N)c2C)CCCC1 1435496602 LCQAWUAYRSPZQS-UHFFFAOYSA-N 318.420 4.626 30 20 DJED N#Cc1ccc2c(c1)CCCN2Cc1cc(Cl)sc1Cl 1460170268 IPYFKWZSICHSBD-UHFFFAOYSA-N 323.248 4.879 30 20 DJED CC(C)CN(C/C=C/c1ccc(F)cc1)Cc1ccc(C#N)cc1 1474362306 IERJMZMWCMHQIF-ONEGZZNKSA-N 322.427 4.869 30 20 DJED CCN(C/C=C\c1cccc(F)c1)[C@@H](C)c1ccc(C#N)cc1 1474370681 ZZJMQJATDAEBKY-WRLNGNIRSA-N 308.400 4.794 30 20 DJED COc1ccc(Cl)cc1[C@@H](CC(C)C)NCCC(C)(C)C#N 1559693350 FPTWXRZLBNIQNJ-MRXNPFEDSA-N 322.880 4.965 30 20 DJED C[C@H](CN(C)Cc1ccccc1C(C)(C)C#N)c1ccccc1 1615410739 FEIYFQRINWTERK-QGZVFWFLSA-N 306.453 4.723 30 20 DJED CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 1622780520 GCICPONEIPRVHT-ZFWWWQNUSA-N 319.836 4.548 30 20 DJED Cc1cc(Sc2cnc3cc(Cl)ccc3n2)ccc1C#N 1640060939 STGIYHHXGIOPNM-UHFFFAOYSA-N 311.797 4.615 30 20 DJED C=C(Br)CN(CC)[C@@H](CC)Cc1ccc(C)cc1 1644687893 JXLCXYOYOPRVMO-INIZCTEOSA-N 310.279 4.547 30 20 DJED CC[C@@]1(C)CCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 1653784528 FURBNZGCBQFNMI-NRFANRHFSA-N 304.437 4.847 30 20 DJED COc1ccc(C#N)cc1CN(C(C)C)[C@@H](C)c1ccccc1 1654617370 BUKQAUMYOPTMCW-INIZCTEOSA-N 308.425 4.538 30 20 DJED CCC[C@H](CC)NCc1cccc(OCc2cccc(C#N)c2)c1 1657146515 CCSNIFAIARNIDW-FQEVSTJZSA-N 322.452 4.806 30 20 DJED N#Cc1ccc2c(c1)CCCN2CCCc1ccccc1Cl 1658801473 TXFQOVKOKJSIJU-UHFFFAOYSA-N 310.828 4.597 30 20 DJED N#CCC[C@H](NC(=O)Nc1cscc1Cl)c1ccccc1 1664504554 GXMGTQCTLNECFM-ZDUSSCGKSA-N 319.817 4.568 30 20 DJED C[C@H](CCc1c[nH]c2ccccc12)N[C@H](C)c1cccc(C#N)c1 1665650483 DXBYZWBMGNICNE-HZPDHXFCSA-N 317.436 4.711 30 20 DJED COc1cc(C(=O)/C=C/c2ccc(C)c(C)c2)ccc1SC 60245346 HVWYFJNPVKLMEH-VQHVLOKHSA-N 312.434 4.930 30 20 DJED C[C@@H](C#N)CSc1ccccc1N[C@H](C)c1ccc(C#N)cc1 118443359 DQZLZMPKJZQRID-LSDHHAIUSA-N 321.449 4.983 30 20 DJED C=CCC[C@H](NCC(=O)Nc1c(C)cccc1C)c1ccccc1 159879599 VWWGTELYDHYTOQ-IBGZPJMESA-N 322.452 4.539 30 20 DJED C[C@@H](CCc1ccc(F)cc1)Nc1ccccc1O[C@H](C)C#N 162272646 AITXOLHLIVPPAF-LSDHHAIUSA-N 312.388 4.550 30 20 DJED Cc1[nH]c2ccccc2c1C1CCN(CCCC(C)(C)C#N)CC1 174830557 YQJKVYGRSWNXQM-UHFFFAOYSA-N 323.484 4.986 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2ccc(SC(F)F)cc2)s1 176408484 LIXYYQDFMFCKJM-BQYQJAHWSA-N 321.373 4.831 30 20 DJED CC(C)(C#N)CCCSc1nnc(NC2CCCCC2)s1 177177947 QPVVMTWHZNPDFN-UHFFFAOYSA-N 324.519 4.705 30 20 DJED O=[N+]([O-])c1ccc(O)c(C=Nc2ccc(-c3ccccc3)cc2)c1 252622448 NVNZWJBSAINDMF-UHFFFAOYSA-N 318.332 4.718 30 20 DJED OC(=Nc1csc(-c2ccccn2)n1)[C@H]1CCCC(F)(F)C1 328812622 NAXACYJWEFARLP-JTQLQIEISA-N 323.368 4.619 30 20 DJED C[C@@H]1C[C@H](C/C(O)=N/[C@H]2CCCc3c[nH]nc32)CC(C)(C)C1 330164409 VYPWMSPEAAHAFH-NFAWXSAZSA-N 303.450 4.596 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2cccc(F)c2F)CCCC1(C)C 445245770 WBOSNXUJLOPRMB-AWEZNQCLSA-N 308.372 4.563 30 20 DJED C=C(C)COc1cccc(NC(=O)c2cccc(F)c2Cl)c1 463555827 GYJWLOQAUUFXNX-UHFFFAOYSA-N 319.763 4.686 30 20 DJED C=CCC(CC=C)C(=O)Nc1sc(-c2ccccc2)cc1C#N 468691168 VUSGXBQZIDQBNG-UHFFFAOYSA-N 322.433 4.994 30 20 DJED C=C(C)[C@H](NC(=O)Nc1cscc1C)c1ccc(F)c(F)c1 480992621 POGAZJODMYZEHM-HNNXBMFYSA-N 322.380 4.774 30 20 DJED Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2ccc(C#N)s2)cc1 487567587 BQJSWQWXISWHCC-KBXCAEBGSA-N 324.449 4.542 30 20 DJED CCC(CC)[C@H](NC(=O)c1sccc1C#N)c1cccs1 497979878 HCKKKDUFUSDQTB-AWEZNQCLSA-N 318.467 4.589 30 20 DJED C[C@H](c1cccc(F)c1)N1CC=C(c2ccc(C#N)cc2)CC1 502497772 YSFMHVNNQRSTFC-OAHLLOKOSA-N 306.384 4.548 30 20 DJED CCCCc1nc(CSCc2cccc(C#N)c2)cs1 517175410 NTGRGQKCGLUPET-UHFFFAOYSA-N 302.468 4.791 30 20 DJED Clc1cccc(C#CCN2CCC[C@@H]2c2cccs2)c1 533443801 KTJKCWFTZJEACK-MRXNPFEDSA-N 301.842 4.590 30 20 DJED CC(C)C[C@](C)(C#N)NC(=O)c1cccc(Oc2ccccc2)c1 533877738 FXKMVVCTEVCRMV-HXUWFJFHSA-N 322.408 4.537 30 20 DJED C[C@H](CCC(C)(C)C)C(=O)Nc1cccc(OCCCC#N)c1 542540215 PNJZNQJFMFQIIA-OAHLLOKOSA-N 316.445 4.770 30 20 DJED C[C@H](NCCC(C)(C)C#N)C(c1ccccc1)c1ccccc1 542555551 GTKHWYMWDUFJMW-KRWDZBQOSA-N 306.453 4.736 30 20 DJED Cc1ccoc1CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542948440 VZWLTABQRKNPEY-MRXNPFEDSA-N 316.404 4.978 30 20 DJED CC(C)c1ccc2occ(C(=O)N3CCCC(C)(C)[C@H]3C#N)c2c1 553205739 ZZRPAUDMJMTWJV-GOSISDBHSA-N 324.424 4.711 30 20 DJED C=CCC(C)(C)CN[C@H](C)c1sc(-c2cccnc2)nc1C 565437538 YSOSBSTXHHFZIO-CYBMUJFWSA-N 315.486 4.766 30 20 DJED CC(C)c1nc2cc(N[C@@H]3CCc4ccc(C#N)cc43)ccc2o1 574561795 XWOQRXANNCUIOU-QGZVFWFLSA-N 317.392 4.922 30 20 DJED N#CCc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C2CC2)c(Cl)c1 583085860 QGGMVSRUKXJIMX-CABCVRRESA-N 316.832 4.561 30 20 DJED CN(Cc1c(Cl)ccc(Cl)c1Cl)CC(C)(C)C#N 590372247 XYZGRRBQGVTHGT-UHFFFAOYSA-N 305.636 4.628 30 20 DJED CC(C)c1ccc([C@@H](C)CC(=O)N(CC#N)c2ccccc2)cc1 609969063 FNMZLULLAKQBCF-KRWDZBQOSA-N 320.436 4.860 30 20 DJED Cc1ccc(C)c2c1CCC[C@H]2N[C@@H](C)c1cccc(C#N)c1 611387257 ITKLDZIMJZDTAZ-OXJNMPFZSA-N 304.437 4.903 30 20 DJED N#C[C@@H]1CCC[C@@H](N[C@H](c2ccc(F)cc2)c2cccs2)C1 618562230 XLFVUUPXDLBPBJ-MZMPZRCHSA-N 314.429 4.649 30 20 DJED C=CCC[C@H](NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)C1CC1 676639695 SUKIXGCDJSZVEN-KXBFYZLASA-N 318.892 4.501 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(O)c(F)c2)c2ccccc12 728438991 SWIWMZZEXWFRSN-RMKNXTFCSA-N 322.335 4.589 30 20 DJED CCc1ccc(NC(=S)N(CCC#N)CC(CC)CC)cc1 729642208 HHDWKZRMWXFDKH-UHFFFAOYSA-N 317.502 4.598 30 20 DJED O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)c1cccnc1 753716474 ZLEFZCWUMHXDIY-UTCJRWHESA-N 311.690 4.650 30 20 DJED C#CCC(C)(C)C(=O)Nc1ccc(Oc2ccccc2)cc1C 767089733 BBGOINLALZJTHM-UHFFFAOYSA-N 307.393 4.775 30 20 DJED CCOc1ccc(N[C@@H](C)c2ccc(C#N)cc2)c2ncccc12 768257965 RFUOYEQEKIHBFG-AWEZNQCLSA-N 317.392 4.678 30 20 DJED CC(C)Oc1ccc(NCc2cccc3cccnc23)cc1C#N 771879081 VSNPXMNNZHXKBU-UHFFFAOYSA-N 317.392 4.506 30 20 DJED C[C@H](NCC(C)(C)CCC#N)c1ccc(SC(F)F)cc1 773397843 VPSLNOPASMDSJS-LBPRGKRZSA-N 312.429 4.982 30 20 DJED CCCCCCC[C@H](C)CNC(=O)c1c(C)noc1C1CC1 783922744 UUHKTNRVLKFVMG-ZDUSSCGKSA-N 306.450 4.587 30 20 DJED C=C[C@@](C)(CC)C(=O)OCc1csc(-c2cccs2)n1 785758164 SPRFBYRFAJQEGV-HNNXBMFYSA-N 307.440 4.517 30 20 DJED C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1cccc(F)c1 795984401 XSWVJDAIGGYQSW-PBHICJAKSA-N 311.356 4.517 30 20 DJED Cc1cc(/C=C/C(=O)c2nccc3ccccc23)cc2cccnc12 811699514 SUEIRVJYAQSJSS-CMDGGOBGSA-N 324.383 4.988 30 20 DJED CC(=NNc1nc2ccccc2cc1C)c1ccc(Cl)c(N)c1 814896159 LTCZBVYPVSSQMI-UHFFFAOYSA-N 324.815 4.615 30 20 DJED Cc1oc(C(C)C)cc1C(=O)N(c1cccc(C#N)c1)C1CCC1 1130955821 UWARIVUKXKINPZ-UHFFFAOYSA-N 322.408 4.782 30 20 DJED CN(Cc1ccc(F)c(C#N)c1)[C@@H]1CCCC[C@H]1c1ccccc1 1171169464 HIUMCPXHTMAETD-PZJWPPBQSA-N 322.427 4.856 30 20 DJED C[C@H](C#N)CN(Cc1cccc(Oc2ccc(F)cc2)c1)C1CC1 1180137263 XFJAWJUZUXVNCD-OAHLLOKOSA-N 324.399 4.742 30 20 DJED Cc1cc(N[C@@H]2CCCc3ccc(C(C)C)cc32)ncc1C#N 1307086727 AEFGTHVJOZTAGV-LJQANCHMSA-N 305.425 4.875 30 20 DJED COc1ccc(CCSc2ccc(C#N)cc2Cl)cc1 1307317228 DQXWADYUTWQARL-UHFFFAOYSA-N 303.814 4.555 30 20 DJED CC(C)(C)c1ccc(NN=C2CCC[C@@H]2Cc2ccccc2)nn1 1339230539 KXJRSPRXAWLDKP-MRXNPFEDSA-N 322.456 4.585 30 20 DJED CCC(CC)[C@@H](NC(=O)c1ccc(C#N)s1)c1ccccc1 1354815687 ZOOMGUPAYUUIKM-QGZVFWFLSA-N 312.438 4.527 30 20 DJED CC[C@@H](OC(=O)c1ccc(C#N)cc1)c1c(F)cccc1Cl 1457941804 MUELUQIWQLURGB-OAHLLOKOSA-N 317.747 4.659 30 20 DJED CC(C)COc1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1 1539790155 DIUWATPQQQYQPE-HNNXBMFYSA-N 323.392 4.511 30 20 DJED C[C@H]1CCCN(Cc2ccc(-c3ccccc3C#N)cc2)[C@@H]1C 1559559294 NUBFZPHORPPQPN-DLBZAZTESA-N 304.437 4.846 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1cccc(C(C)(C)C)c1 1565636884 JPASFPZRILGDIX-UHFFFAOYSA-N 314.473 4.776 30 20 DJED CCc1ccc(C2CCN(c3cccc(F)c3C#N)CC2)cc1 1612691917 XGVLGYBREJGBDH-UHFFFAOYSA-N 308.400 4.644 30 20 DJED CC(C)(C)c1ccc([C@H](NCC2(CC#N)CC2)C(F)(F)F)cc1 1616006824 HWPVJRHLJOVHRN-HNNXBMFYSA-N 324.390 4.871 30 20 DJED C=C(Cl)CNC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 1618047235 LJFKYOVLSUOOMT-UHFFFAOYSA-N 317.816 4.726 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CCC[C@H]1C(C)(C)C 1623179673 QVZWJAXUMRBGQB-WBVHZDCISA-N 313.445 4.545 30 20 DJED CC(C)(C)c1ccc(C#N)c(NCc2cc3ccccc3o2)n1 1639287491 LHPLTDKXIQBFLA-UHFFFAOYSA-N 305.381 4.609 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1ccc2ncccc2c1 1644018301 OHZTXJXDPOABMY-UHFFFAOYSA-N 308.768 4.647 30 20 DJED CC[C@H](CSc1nc(C(F)(F)F)ccc1C#N)CC(F)F 1651933670 ILYNQSXJBIYAKM-QMMMGPOBSA-N 324.318 4.746 30 20 DJED N#C[C@H](CCc1ccccc1)Sc1nc2ccccc2s1 1652434168 SPAPCHAETYPHEN-AWEZNQCLSA-N 310.447 4.913 30 20 DJED N#Cc1c(F)cccc1CN[C@H]1CC=C(c2ccc(F)cc2)CC1 1657536785 BIKGWVYMDXUDBN-SFHVURJKSA-N 324.374 4.562 30 20 DJED C=C(Br)CN[C@@H](c1ccc(F)cc1)C1CCCC1 1658067177 YSGQDORJZARIBS-OAHLLOKOSA-N 312.226 4.555 30 20 DJED CC(=NNc1ccc(C(=O)O)c(F)c1)C1CCC(C(C)C)CC1 1776077111 VOFSVWBKHLOEQN-UHFFFAOYSA-N 320.408 4.774 30 20 DJED COc1cc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)ccc1O 5156313 LUNOPNOUVMOIFG-ZZXKWVIFSA-N 323.175 4.604 30 20 DJED N#Cc1cccc(CSc2ccccc2Br)c1 37375000 LGYJSWMMDHQDJH-UHFFFAOYSA-N 304.212 4.613 30 20 DJED C=C(C)COC(=O)c1ccccc1SCc1ccc(C#N)cc1 45830021 FZRDTRBEXRTWOX-UHFFFAOYSA-N 323.417 4.583 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Cl)o1 66802043 OWPPEZXPWDZZER-SNVBAGLBSA-N 320.801 4.580 30 20 DJED CC(C)[C@H](NCc1ccc(C#N)s1)c1ccc(Cl)cc1 135674198 JNLBJZQEEDGILM-INIZCTEOSA-N 304.846 4.760 30 20 DJED CC(C)(C#N)CCCN1CCC(Oc2ccccc2Cl)CC1 157308663 VBUOEQQQYIBROB-UHFFFAOYSA-N 320.864 4.513 30 20 DJED C=CCN(C(=O)c1nc(-c2ccccc2)cs1)c1ccccc1 192542807 PKQZISFZEDHUCR-UHFFFAOYSA-N 320.417 4.643 30 20 DJED N#Cc1ccc(NC[C@H](O)c2ccc3ccccc3c2)cc1Cl 301113787 UYEHKRMFJJSEOI-IBGZPJMESA-N 322.795 4.510 30 20 DJED C[C@H](N[C@@H](CCC#N)c1ccccc1)C1CCC(F)(F)CC1 353311894 HRMDRBLKXLAFKQ-YOEHRIQHSA-N 306.400 4.835 30 20 DJED N#CC[C@H](CC(=O)Nc1cccc(C(F)F)c1)c1ccccc1 355539200 CQKFBVHYCJWTGX-CQSZACIVSA-N 314.335 4.650 30 20 DJED C=C(C)C(C)(C)C(=O)Nc1ccccc1COC(C)(C)CC 425565876 WSCBHUZVMFXLFU-UHFFFAOYSA-N 303.446 4.933 30 20 DJED CC(C)(C#N)CCCCSc1n[nH]c(CCC2CCCC2)n1 436206971 HDYIVQUIPYSNQB-UHFFFAOYSA-N 320.506 4.740 30 20 DJED COc1cc(CNc2ccccc2SC(C)C)ccc1C#N 440632530 DGAPLCUTWYOHPL-UHFFFAOYSA-N 312.438 4.679 30 20 DJED CC1(C#N)CCC(N[C@@H]2CC[C@@H](c3ccccc3F)C2)CC1 449298412 HPNXBDTXORDUBN-XZZQLLPFSA-N 300.421 4.524 30 20 DJED N#Cc1ccc(CN[C@H](c2ccc(F)c(Cl)c2)C2CC2)s1 449454577 ZUQBIHPKXNDDMD-INIZCTEOSA-N 320.820 4.653 30 20 DJED CC(C)(C#N)c1ccccc1CNc1ccc2c(c1)CCCC2=O 453138834 WMFOHTJZPPRVKS-UHFFFAOYSA-N 318.420 4.619 30 20 DJED CC#CCCCC(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 464438702 BWLZXWXKONMDQP-GOSISDBHSA-N 319.448 4.517 30 20 DJED CC1CCC(N(C(=O)C[C@@H](CC#N)c2ccccc2)C2CC2)CC1 475319255 HYNVCMPAZGMZSG-CUYAVPTFSA-N 324.468 4.644 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCc2cc(F)ccc21 481649519 FUDLGOKLAXDXSZ-SFTDATJTSA-N 320.411 4.742 30 20 DJED C[C@H]1c2ccsc2CCN1Cc1ccccc1C(C)(C)C#N 487422802 UJMRIWJTKHYXDG-AWEZNQCLSA-N 310.466 4.669 30 20 DJED CCN(C(=O)C1CCC(C)(C)CC1)[C@H](C)c1ccc(C#N)cc1 495041477 FHBVZJICYIFBIN-OAHLLOKOSA-N 312.457 4.684 30 20 DJED C=CCCC[C@@H](C)NC(=O)N1CC(C)(C)[C@H]1c1cccs1 501550173 DMDUPZRBYNEJPV-UKRRQHHQSA-N 306.475 4.585 30 20 DJED C=CC[C@H](C)NC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl 522639568 RJWYVSCWDUKBOY-VHSXEESVSA-N 318.269 4.555 30 20 DJED C=CCCCCCN(C)C(=O)c1oc2ccc(OC)cc2c1C 523510160 SVHHAWQFXSDCBK-UHFFFAOYSA-N 315.413 4.568 30 20 DJED CC(C)c1ccc([C@@H](C)CC(=O)N(CC#N)C2CCCC2)cc1 524584547 GVDDEWSMZCCBNG-INIZCTEOSA-N 312.457 4.598 30 20 DJED COc1ccc([C@@H](N[C@@H]2CCc3ccc(C#N)cc32)C(C)C)cc1 562096872 WYKHSYLHINDOCE-RTWAWAEBSA-N 320.436 4.541 30 20 DJED CC(C)c1ccc([C@@H](NCc2ccc(C#N)cn2)C(C)C)cc1 566416150 NSLRALVVWWRUMC-FQEVSTJZSA-N 307.441 4.564 30 20 DJED N#C[C@H](C(=O)c1cccc(C(F)F)c1)c1ccc2ccccc2n1 591020114 VNBGCDLCSJENTQ-HNNXBMFYSA-N 322.314 4.662 30 20 DJED CC(C)(C)c1ccc(C#N)c(N[C@@H]2CSc3ccccc32)n1 613426282 CDOYHZLCABMYQB-CQSZACIVSA-N 309.438 4.510 30 20 DJED C=C(C)[C@H](N[C@H]1CCCc2ncccc21)c1ccc(F)c(F)c1 631619273 SGNRFJXFFDXQQF-OALUTQOASA-N 314.379 4.644 30 20 DJED CSc1ccc(C(=O)/C=C\c2nccc3ccccc23)cc1F 741846492 GSPHWACIHPQDJM-FPLPWBNLSA-N 323.392 4.992 30 20 DJED Cc1cccc(-c2nnc([C@H](C)Sc3ccc(C#N)cc3)o2)c1 753596214 WQPQPWYQCOFKGQ-ZDUSSCGKSA-N 321.405 4.770 30 20 DJED CCCCCC=Nn1cnnc1SCc1ccc(Cl)cc1 755595473 ZBERAASQHCMJKV-UHFFFAOYSA-N 322.865 4.638 30 20 DJED C#CC[C@H](NCc1cc(Cl)ccc1Cl)c1ccccc1 756995808 ANAYBTRWPICIQP-KRWDZBQOSA-N 304.220 4.848 30 20 DJED CCCCOc1ccc(/C=C\C(=O)c2ccc(C#N)s2)cc1 762443834 RYFVVRHSJKJPSO-POHAHGRESA-N 311.406 4.695 30 20 DJED Clc1ccc(C=NOCc2nc(Cl)ccc2Cl)cc1 764934607 GRTWNTXLLCHUQN-UHFFFAOYSA-N 315.587 4.593 30 20 DJED CC(C)(C#N)CCOC(=O)CCCc1csc2ccccc12 776398057 UVIKFLMDSOQJCW-UHFFFAOYSA-N 315.438 4.707 30 20 DJED C=CC[C@@H](C(=O)O[C@H](C)c1nc2ccccc2o1)c1ccccc1 777771360 TWKNGZBGLCJDCB-GDBMZVCRSA-N 321.376 4.792 30 20 DJED N#Cc1ccc(NN=Cc2ccccc2C(F)(F)F)cc1Cl 783880376 HJRIJOXYLIBZON-UHFFFAOYSA-N 323.705 4.676 30 20 DJED FC(F)(F)c1cscc1C=NNc1ccccc1Cl 811629446 QRLNDWXRPSNKKL-UHFFFAOYSA-N 304.724 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CC[C@@H]1CCC[C@H](CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 1474326848 NDGOQDJHIXXARR-YXYSEUPNSA-N 310.485 4.975 30 20 DJED CCCCN(C(=O)Nc1cc(C#N)ccc1C)C1CCCCC1 1476232875 UKBZVCHLRQSKES-UHFFFAOYSA-N 313.445 4.833 30 20 DJED CCCC1CCC(N(C(=O)c2csc(C#N)c2)C(C)C)CC1 1528725703 VMXFTTBUFMKCBL-UHFFFAOYSA-N 318.486 4.829 30 20 DJED Cc1ccccc1C1(C(=O)O[C@@H](C)c2ccc(C#N)cc2)CCC1 1533618640 FOPYSSVXDSTURU-INIZCTEOSA-N 319.404 4.593 30 20 DJED CC(C)c1nc(N[C@@H](C)c2ccc(C#N)cc2)cc(C(C)(C)C)n1 1559082115 AVIDEOFZDOMFEG-AWEZNQCLSA-N 322.456 4.942 30 20 DJED CC[C@H](C#N)C(=O)Nc1ccc(Oc2cc(C)cc(C)c2)cc1 1596970449 NHVCQNJJDGIAGD-OAHLLOKOSA-N 308.381 4.584 30 20 DJED CC(C)(C#N)CCN[C@H](CCc1ccccc1)c1ccccc1 1642461593 PEMWCYJNDDYNCD-HXUWFJFHSA-N 306.453 4.890 30 20 DJED N#Cc1cccc(CN(Cc2cccs2)c2ccc(F)cc2)c1 1644926859 CCPXZSZGMITTEM-UHFFFAOYSA-N 322.408 4.966 30 20 DJED CC(C)[C@H](Cc1ccc(F)cc1)Nc1cccc(F)c1C#N 1651565278 JXFIEPFWUCDBDA-SFHVURJKSA-N 300.352 4.516 30 20 DJED CC[C@@H](Cc1ccc(C)cc1)N(CC)Cc1cccc(F)c1C#N 1658232063 SQYJSSPFMXOIJU-IBGZPJMESA-N 324.443 4.849 30 20 DJED CC(C)[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1F 1659407038 AMVSSHRMZLKXAE-QEORTHHSSA-N 308.828 4.848 30 20 DJED Cc1cc(CNC[C@@H]2CCCC[C@H]2c2ccccc2)ccc1C#N 1662461770 JIPKDFAICOLKHD-VXKWHMMOSA-N 318.464 4.930 30 20 DJED CC(C)Sc1cccc(Cl)c1CNCC(C)(C)CC#N 1662623081 ASYBFMDLDJXXTN-UHFFFAOYSA-N 310.894 4.870 30 20 DJED N#Cc1ccc(CN[C@H](C2CCCCC2)C2CCC2)cc1F 1665077065 UZPMOTUCYUIYCG-LJQANCHMSA-N 300.421 4.536 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1ccccc1C1CC1 1776787179 ZFTXXBLQLOONBW-SFHVURJKSA-N 317.473 4.857 30 20 DJED N#Cc1ccc(CN[C@@H]2CCSc3ccc(Cl)cc32)cc1 37073338 ZPMCWABVGSUZAT-MRXNPFEDSA-N 314.841 4.538 30 20 DJED C=CCSc1nnc(Cc2ccccc2)n1C1CCCCC1 39755508 ARQMVQXBGOVJBV-UHFFFAOYSA-N 313.470 4.652 30 20 DJED CC[C@H](C)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 56745270 RJKATUVPOQNUMK-AWEZNQCLSA-N 323.396 4.613 30 20 DJED O=C(/C=C/c1cccc(F)c1F)c1ccc(C(F)(F)F)cc1 78561357 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CCC(C)(C)c1ccc(C(=O)Nc2cc(C)cc(C#N)c2)cc1 1525310898 SXYQPMZBYKZNNO-UHFFFAOYSA-N 306.409 4.807 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[C@H]1CCCCC1(C)C 1529667011 SLLCLZHGLXBTKU-CRAIPNDOSA-N 312.457 4.684 30 20 DJED N#CC1(CC(=O)N2CCC(C3CCCCC3)CC2)CCCCC1 1531113274 AAMYTGQKSIQYLV-UHFFFAOYSA-N 316.489 4.669 30 20 DJED Cc1ccc([C@@H]2CCC[C@H]2N(C)Cc2ccc(F)cc2C#N)cc1 1559562724 HSSNRYPZWYASLL-LEWJYISDSA-N 322.427 4.774 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2CCC[C@@H]2c2cccc(F)c2)n1 1611833836 HQFMWHQRMBHDRL-QGZVFWFLSA-N 323.415 4.731 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@@H]1C[C@H]1C[C@H]2CC[C@H]1C2 1615387757 NRZDWQOMLAHTHV-XIGKFDRGSA-N 308.469 4.657 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C[C@@H](CC)c1ccccc1 1621180862 DUUGNMGCORRZMT-HXUWFJFHSA-N 306.453 4.964 30 20 DJED CC[C@H](Nc1ncc(C#N)cc1Cl)c1ccc(C)c(F)c1 1639718703 KPCRLYCVUFYTDO-HNNXBMFYSA-N 303.768 4.617 30 20 DJED Cc1ccc(CSc2ccc(C#N)c(C(F)(F)F)c2)cn1 1641028894 VDGXVRBYLXGCJX-UHFFFAOYSA-N 308.328 4.573 30 20 DJED C[C@@H]1[C@H](Cc2ccccc2)CCN1Cc1ccc(Cl)cc1C#N 1652670004 WFUASXIQYMPJDA-WBVHZDCISA-N 324.855 4.665 30 20 DJED CC(C)(C)[C@@H]1CCC[C@@H](NCc2ccc(OCC#N)cc2)CC1 1661368096 ZKWVEWJEAJRSIV-QZTJIDSGSA-N 314.473 4.674 30 20 DJED CC[C@H](C)C[C@H](C)NC(=O)Nc1scc(C(C)(C)C)c1C#N 1671686470 NTZDDKACZXRVFL-RYUDHWBXSA-N 321.490 4.863 30 20 DJED CCC(CC1CCCCC1)=NNc1cccc(C(=O)O)c1C 1776088662 AWXWLWIQAZIHCK-UHFFFAOYSA-N 302.418 4.842 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1sccc1Cl 1776786842 SQWMHMKKFOFCIT-LBPRGKRZSA-N 317.882 4.695 30 20 DJED CN(Cc1ccc(C#N)cc1F)Cc1csc2ccccc12 58582353 HYDHMHJUZFEGRP-UHFFFAOYSA-N 310.397 4.544 30 20 DJED Cc1ccc([C@H](C)N[C@H](CCC#N)c2ccccc2)cc1[N+](=O)[O-] 90664807 BSAJBYLLUXFAGV-MAUKXSAKSA-N 323.396 4.599 30 20 DJED CC(C)N(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(C)C 110291586 QQCGBWNMEGKZCC-UHFFFAOYSA-N 322.408 4.610 30 20 DJED CSc1ccc(C(=O)/C=C/c2ccc(C#N)s2)c(Cl)c1 122229683 KVQPHTVLJXKAEY-FNORWQNLSA-N 319.838 4.891 30 20 DJED C[C@H](Nc1ccc2nc(C3CC3)oc2c1)c1ccc(C#N)cc1 182893341 FVYBATOFZARNCL-LBPRGKRZSA-N 303.365 4.750 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)CC1CC1 191515293 XSRRCKRLKBJCNT-AWEZNQCLSA-N 300.446 4.849 30 20 DJED CCCc1cccc(C(C)C)c1NC(=O)Cc1ccc(C#N)cc1 191528143 GVVSKMYCSVVAFR-UHFFFAOYSA-N 320.436 4.815 30 20 DJED N#Cc1ccc(CNC2(c3ccc(Cl)cc3)CCC2)cc1F 192101034 PSRIVYPEGMZJGV-UHFFFAOYSA-N 314.791 4.520 30 20 DJED C=CC[C@@H](C(=O)Nc1cnn(C2CCCC2)c1C)c1ccccc1 192726725 ICFRJNUHFMOJEE-GOSISDBHSA-N 323.440 4.605 30 20 DJED CC(C)[C@@H](CNCc1ccc(O[C@H](C)C#N)cc1)c1ccccc1 236697677 FDZGUKIPARDHLQ-DYESRHJHSA-N 322.452 4.507 30 20 DJED C[C@H]1CCC[C@H]1CC(=O)Nc1ccccc1SC[C@H](C)C#N 249023793 REAFNBPDCVWUKK-ILXRZTDVSA-N 316.470 4.703 30 20 DJED N#CC1CCC(C/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 329084510 FTWMFFZWFYGIRI-NUUXYWTLSA-N 302.462 4.879 30 20 DJED CC(C)(C)[C@@H]1N=C(O)CC[C@H]1/N=C(/O)C(C1CCC1)C1CCC1 329557507 LFYRRYIUIWPLAU-RHSMWYFYSA-N 320.477 4.693 30 20 DJED Cc1cc(O)nc2cc(/C(O)=N/[C@@H]3CCCCC3(C)C)ccc12 329656333 MQOHABQQBGXHDM-MRXNPFEDSA-N 312.413 4.522 30 20 DJED C[C@H](NCC(C)(C)CC#N)c1ccc(SCC(F)F)cc1 414166591 NVIASSGPYRYZPG-LBPRGKRZSA-N 312.429 4.634 30 20 DJED C[C@H](c1ccc2c(c1)CCC2)[S@@](=O)CCCCC(C)(C)C#N 417206282 JPRBQIYNSZHEMW-QRQCRPRQSA-N 317.498 4.705 30 20 DJED C=CCC[C@H](NC(=O)Nc1ccc2[nH]ccc2c1)c1ccccc1 435605161 CXACVZWKESTMQC-IBGZPJMESA-N 319.408 4.997 30 20 DJED CCN(Cc1ccc(C#N)cc1Cl)Cc1c[nH]c2ccccc12 442882254 QGGMZXZIMSZMDH-UHFFFAOYSA-N 323.827 4.715 30 20 DJED C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CCCCC(C)(C)C#N 444636764 DTHCKGVPSZWTOZ-WBVHZDCISA-N 302.437 4.724 30 20 DJED C=CCCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 460342261 YWAYZVWSRWJBIT-UHFFFAOYSA-N 324.811 4.711 30 20 DJED Cc1c(C(=O)N[C@@H](C#N)C(C)(C)C)oc2c1ccc1ccccc12 464706432 DOANHDQPEYYVDN-INIZCTEOSA-N 320.392 4.563 30 20 DJED C=CCOCCCSc1nnc(-c2ccc(C(C)C)cc2)o1 475978286 QUBSNRICNINQPP-UHFFFAOYSA-N 318.442 4.545 30 20 DJED C[C@H]1Cc2ccc(F)cc2[C@@H]1Nc1cccc(OCCCC#N)c1 537424632 BGFMBUIAPWBOGL-VBKZILBWSA-N 324.399 4.854 30 20 DJED C=CC[C@H](C)[C@@H](C)NCC1(c2ccccc2Cl)CCOCC1 537975566 UJXPTZQTLIIFJR-JKSUJKDBSA-N 321.892 4.579 30 20 DJED N#CC1(CN[C@H](CCCc2ccccc2)c2ccccc2)CC1 539451722 STWQRPIXSAGLEB-HXUWFJFHSA-N 304.437 4.644 30 20 DJED C[C@H](NCCCC#N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 542498526 YAQXKXHVPZTLNQ-VIFPVBQESA-N 324.268 4.679 30 20 DJED C=CC[C@@H](C(=O)Nc1cccc(CSC)c1)c1ccccc1 547628048 HWQFJGSPWIPUCJ-GOSISDBHSA-N 311.450 4.848 30 20 DJED C=C(C)COc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2C)c1 589739256 LZXFMKZIGLNLHU-MAUKXSAKSA-N 316.445 4.684 30 20 DJED Cc1c(-c2noc(CC3(C#N)CCCCC3)n2)oc2ccccc12 596594196 IRKFRTGBVLJXLC-UHFFFAOYSA-N 321.380 4.808 30 20 DJED N#CC1(CC(=O)Nc2cnccc2-c2ccccc2)CCCCC1 597569479 AJNWVHAVLRVSPB-UHFFFAOYSA-N 319.408 4.551 30 20 DJED CCSc1cccc(F)c1NC(=O)CC1(C#N)CCCCC1 598844096 NMFXSGHQUCTGOD-UHFFFAOYSA-N 320.433 4.740 30 20 DJED N#Cc1cccnc1N[C@@H](CCc1ccccc1)c1ccccc1 603867670 ZIMKVYCKYYGGGY-FQEVSTJZSA-N 313.404 4.739 30 20 DJED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccsc3)c2)cc1 609991674 QEACKGRXFAVBQS-UHFFFAOYSA-N 319.389 4.616 30 20 DJED COc1cccc2cc([C@@H](C)N[C@H](C)c3cccc(C#N)c3)oc12 611438532 MQRJCSFYLZIYCZ-ZIAGYGMSSA-N 320.392 4.725 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1cc(SC)ccc1Cl 667466362 WVYOZJBIHFXCOT-NSHDSACASA-N 310.850 4.634 30 20 DJED COc1cccc(NN=C(C)c2cccc(C(F)(F)F)c2)c1 725853804 RZBWIIRNFRWAJU-UHFFFAOYSA-N 308.303 4.550 30 20 DJED CC(C)Oc1cccc(/C=C2/CCOc3ccccc3C2=O)c1 728441089 CVMANIWKGHOAMJ-VBKFSLOCSA-N 308.377 4.523 30 20 DJED COc1ccc(/C=C\C(=O)c2ccccc2C)c(Cl)c1OC 730433065 AWVHDFALUZNYHX-NTMALXAHSA-N 316.784 4.562 30 20 DJED CC(C)(CCC#N)CN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 753593346 XSFJWGMHFZBCSA-OAHLLOKOSA-N 324.390 4.825 30 20 DJED C[C@H](NCc1cccc(C#N)c1F)c1csc2ccccc12 754734699 HYQBQXONLPRDEW-LBPRGKRZSA-N 310.397 4.763 30 20 DJED CC(=NNc1nc(C(F)(F)F)cs1)c1cccc(Cl)c1 755904987 QRCLYBFAYHKHOF-UHFFFAOYSA-N 319.739 4.651 30 20 DJED Cc1cc(/C=C2\Cc3c(Cl)cccc3C2=O)cnc1Cl 760264133 JXWOXRKWQGUXJJ-IZZDOVSWSA-N 304.176 4.519 30 20 DJED C#Cc1cccc(NC(=O)N2CCC[C@H]2c2cc(C)ccc2C)c1 762208244 FHWDKHVCZYCWCI-FQEVSTJZSA-N 318.420 4.654 30 20 DJED CC(C)(C#N)CCCCOC(=O)C(C)(C)Cc1ccccc1 768714558 GZWMFZAVTNKSHM-UHFFFAOYSA-N 301.430 4.519 30 20 DJED CCCCN(C)c1ccc(NCc2ccc(C#N)cc2F)cc1 772932624 CZMZZHKLUANSLO-UHFFFAOYSA-N 311.404 4.546 30 20 DJED COc1ccc(C(=O)/C=C/c2sccc2Cl)c(C)c1OC 794741509 WJEGQOSHALDPGO-FNORWQNLSA-N 322.813 4.623 30 20 DJED FC(F)(F)c1ccccc1ON=C1CCC[C@H]1c1ccccn1 794922491 JTYHYIKLHGJDSO-LBPRGKRZSA-N 320.314 4.803 30 20 DJED C=CCC(C)(C)C(=O)N(CC)Cc1ccc(C(F)(F)F)cc1 814288948 HJXJHVLUWSFBTD-UHFFFAOYSA-N 313.363 4.656 30 20 DJED CC(C(=O)Nc1ccccc1S[C@H](C)CC#N)=C1CCC1 825801579 PUORSIXCTFAREV-GFCCVEGCSA-N 300.427 4.520 30 20 DJED Cc1cc(Cl)ccc1C[S@](=O)CCCCC1(C#N)CCC1 899405860 HXLKSMLOKVQLBF-OAQYLSRUSA-N 323.889 4.761 30 20 DJED CCC(CC)c1cc(CN[C@@H](CC)c2cccc(C#N)c2)on1 902819697 JYKQYBMMACSARY-SFHVURJKSA-N 311.429 4.691 30 20 DJED CCCCCCC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 915174912 GWLQZGOPLZJLGB-UHFFFAOYSA-N 323.396 4.654 30 20 DJED CCCCCCCSc1nncn1CCc1cccs1 915794609 BGNQIJHVZMORPG-UHFFFAOYSA-N 309.504 4.645 30 20 DJED CC[C@H](C)[C@H](C)C(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1124963696 YZZKDTJTNBGRJC-KBPBESRZSA-N 323.440 4.587 30 20 DJED C[C@@H](OC(=O)c1ccc(C2CCC2)cc1)c1ccc(C#N)cc1 1126637693 LDVQIABCQYJLOH-CQSZACIVSA-N 305.377 4.744 30 20 DJED N#Cc1cnc(Oc2ccc3oc4ccccc4c3c2)c(F)c1 1161984504 AQXRVEWBLUIRRJ-UHFFFAOYSA-N 304.280 4.784 30 20 DJED CCC[C@@H]1CCc2ccccc2N1CCOc1cccc(C#N)c1 1191911400 ZPOJEJPMNYMFFA-LJQANCHMSA-N 320.436 4.559 30 20 DJED N#Cc1cccc(C#N)c1N[C@H]1CCC[C@@H](c2ccccc2)C1 1307113397 ZFPHGRXNLFGDJP-APWZRJJASA-N 301.393 4.568 30 20 DJED CCC[C@@H](Cc1ccccc1)N[C@@H]1CCCc2cc(C#N)ccc21 1308825325 LZMPJPCWJRLAAF-RBBKRZOGSA-N 318.464 4.937 30 20 DJED CCCC[C@H](CCC)CNC(=O)N[C@@H](C)c1cccc(C#N)c1 1312243510 UQEKNJZWTZWHNF-HOTGVXAUSA-N 315.461 4.525 30 20 DJED Cc1sc(NC(=O)C2(C3CCCCC3)CC2)c(C#N)c1C 1349965645 XVNZJGZTHLWDJK-UHFFFAOYSA-N 302.443 4.536 30 20 DJED CCCC[C@@H](CC)CC(=O)N(CCC)Cc1ccc(C#N)cc1 1353508841 XZILKRGERNYGNU-QGZVFWFLSA-N 314.473 4.903 30 20 DJED C[C@H](OC(=O)Cc1cccc2ccccc12)c1cccc(C#N)c1 1457756442 XEURHHIRMDOHTA-HNNXBMFYSA-N 315.372 4.558 30 20 DJED CC[C@H](c1ccccc1)N(CC)C(=O)Nc1sccc1C#N 1466981430 IURSDYMYVDNCMU-OAHLLOKOSA-N 313.426 4.625 30 20 DJED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCSc1ccccc1 1473180760 PFDOMFQHXHXZFZ-PMACEKPBSA-N 322.477 4.550 30 20 DJED CCCCC1CCC(C(=O)N2CCCC(C)(C)[C@@H]2C#N)CC1 1525268339 ORSBIBXECWAXCL-JCYILVPMSA-N 304.478 4.524 30 20 DJED CCc1ccc([C@H](C#N)N(C)C(=O)c2cc(C(C)C)oc2C)cc1 1544888229 RFTORANGHAVUQH-SFHVURJKSA-N 324.424 4.611 30 20 DJED N#Cc1c(F)cccc1CN1C[C@H]2CCCC[C@]21c1ccccc1 1621158517 BCFCHVCFCQKSSV-NQIIRXRSSA-N 320.411 4.599 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CCCC[C@@H]1CC 1629454586 ANQCFTNBCAVSOX-HOTGVXAUSA-N 313.445 4.535 30 20 DJED Cc1nc(N(Cc2cccc(Cl)c2)CC(C)C)ccc1C#N 1640200689 UVWIGPOXOMAYBZ-UHFFFAOYSA-N 313.832 4.578 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1CCC(Cc2cccc(F)c2)CC1 1641525516 TYNYYNDFGCLDCW-INIZCTEOSA-N 322.427 4.713 30 20 DJED Cc1ccccc1[C@H]1CCN(c2nc(C(C)(C)C)ccc2C#N)C1 1642175487 DDSMVFCKPWNVSO-KRWDZBQOSA-N 319.452 4.553 30 20 DJED C[C@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@H]1CCC[C@@H](C)C1 1651151445 SPGXLQBFNGRGDK-WOPDTQHZSA-N 311.351 4.599 30 20 DJED Cc1nc(SCc2c(Cl)cccc2Cl)ccc1C#N 1651447709 AYRUVCLVUMDYRN-UHFFFAOYSA-N 309.221 4.861 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C)c2ccccc21 1659653885 RVIZSPZBPKJPEQ-AWEZNQCLSA-N 319.408 4.803 30 20 DJED Cc1csc(NC(=O)N(C)c2cccc3ccccc23)c1C#N 1669740186 RTFQRUIHVJZHLF-UHFFFAOYSA-N 321.405 4.750 30 20 DJED N#Cc1ccc(F)c(CSc2nc3ccc(Cl)cc3[nH]2)c1 10621632 IYLKAFAZWRHMQZ-UHFFFAOYSA-N 317.776 4.519 30 20 DJED O=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)Cc2c(O)cccc21 14709043 CYYDJFPUQWNRAH-RAXLEYEMSA-N 320.319 4.614 30 20 DJED COc1ccc(C(=O)/C=C\c2ccccc2C(F)(F)F)cc1 33398612 IUJWAWAODSXWTI-FLIBITNWSA-N 306.283 4.610 30 20 DJED N#Cc1ccc(CNc2ccc(SC(F)(F)F)cc2)cc1 35041189 PNBQZCMCNBJGFW-UHFFFAOYSA-N 308.328 4.782 30 20 DJED CCCC(C)(C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 116500563 FIYMNYWMXGDMAM-ZDUSSCGKSA-N 319.474 4.781 30 20 DJED CN(CCC#N)c1ccc(CNc2cccc(C(F)F)c2)cc1 128489615 GIUWPSMZBKZDPQ-UHFFFAOYSA-N 315.367 4.586 30 20 DJED C=CCC(CC=C)C(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 150941672 ACRIFCBVHFQYBY-RDTXWAMCSA-N 301.405 4.504 30 20 DJED CC(C(=O)Nc1ccccc1SC[C@H](C)C#N)=C1CCCC1 176628854 FJWOZURBKCFVPE-CYBMUJFWSA-N 314.454 4.767 30 20 DJED CCc1ccc(C(=O)/C=C/c2csc(-c3ccsc3)n2)o1 176679751 PEAWHQGVPAFUJW-HWKANZROSA-N 315.419 4.923 30 20 DJED C#CCCCCNC(=O)Nc1c(CCC)cccc1C(C)C 190001604 SYYGFXSFNBLZOL-UHFFFAOYSA-N 300.446 4.688 30 20 DJED C[C@@H](SCc1cc(-c2ccco2)on1)c1cccc(C#N)c1 190794030 DDYRDWCBJNBMJJ-GFCCVEGCSA-N 310.378 4.801 30 20 DJED C[C@H](N[C@H](C)c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 193002560 UUIQRDBLAANWCE-QWHCGFSZSA-N 318.342 4.989 30 20 DJED COc1cccc2cc(C(=O)/C=C\c3ccc(F)c(F)c3)oc12 211262021 PHBDBHZPRSQBHB-VURMDHGXSA-N 314.287 4.616 30 20 DJED Cc1cc(C)c(CNc2cccc(OCCCC#N)c2)cc1C 237820470 ARPBLAOCJLKOBQ-UHFFFAOYSA-N 308.425 4.907 30 20 DJED N#Cc1nc(NC(c2ccccc2)c2ccccc2)ccc1Cl 301136804 ANYYRNNGJRPKKP-UHFFFAOYSA-N 319.795 4.808 30 20 DJED Cc1ccccc1Nc1nc(COc2cccc(C#N)c2)cs1 301606667 SVMBOTUWJNKXND-UHFFFAOYSA-N 321.405 4.646 30 20 DJED C=CCC[C@@H](NC(=O)c1oc(C(C)C)nc1C)c1ccccc1 343211444 JESOTUALSFGQNO-MRXNPFEDSA-N 312.413 4.544 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)NCC1(C(F)F)CC1 347290422 SRSXIPBQHQQGEB-UHFFFAOYSA-N 322.399 4.705 30 20 DJED C=CCCC[C@H](C)NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 409896501 KCRBCLTUZMJMSB-STQMWFEESA-N 313.363 4.670 30 20 DJED N#CCCCCN[C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 442774412 AIYBTEZRCDMCSB-GOEBONIOSA-N 310.363 4.625 30 20 DJED Cc1ccc(Oc2ccccc2CN[C@@H]2CC[C@H](C#N)C2)cc1 442780220 MNGCSSIGVGMBOI-FUHWJXTLSA-N 306.409 4.569 30 20 DJED C=C(C)CN(C)C(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl 442879693 BPEOFBJIEWZWGA-UHFFFAOYSA-N 323.223 4.637 30 20 DJED C[C@H]1c2cc(F)cc(F)c2CCN1CCCCC(C)(C)C#N 444652178 WXLHMSNJKXWNLG-ZDUSSCGKSA-N 306.400 4.604 30 20 DJED CC(C)Oc1cccc(CN(C)CCCCC(C)(C)C#N)c1 444663657 KVSRGMFCXGDRIL-UHFFFAOYSA-N 302.462 4.626 30 20 DJED CC(C)(C#N)CCCCN1CC=C(c2c(F)cccc2F)CC1 444688373 JGJFRTSIPVRMSN-UHFFFAOYSA-N 318.411 4.774 30 20 DJED C[C@@H](CC1CCCCC1)NC(=O)C[C@H](CC#N)c1ccccc1 477095781 HQSVNCVULFGOPT-LPHOPBHVSA-N 312.457 4.549 30 20 DJED Cc1c(F)ccc(Cl)c1C(=O)Nc1ccc(C#N)cc1Cl 483875290 XUDZYGRJOHIDPZ-UHFFFAOYSA-N 323.154 4.565 30 20 DJED CCCN(C(=O)c1cccc(C#N)c1)[C@H](CC)c1ccccc1 499129680 WRUNXZLYYHSDFX-LJQANCHMSA-N 306.409 4.562 30 20 DJED N#Cc1ccc(CSc2ccc(C#N)c(C(F)(F)F)c2)cc1 499468677 DUPVBVQCGPINFF-UHFFFAOYSA-N 318.323 4.741 30 20 DJED N#Cc1cc(F)c(NCc2csc3ccccc23)c(F)c1 500553012 KAPRLSZXWLZBHK-UHFFFAOYSA-N 300.333 4.663 30 20 DJED C[C@H](c1cc2ccccc2o1)N(C)c1ncc(C#N)cc1Cl 513625430 QGQZURRUWQRWAN-LLVKDONJSA-N 311.772 4.550 30 20 DJED Cc1ccc(C[C@@H](C#N)Sc2ccc(C#N)cc2Cl)cc1 532855911 FPWMGXCJDSPQNW-HNNXBMFYSA-N 312.825 4.747 30 20 DJED C=CCCC[C@H](C)NC(=O)N(CC)[C@@H](C)c1cccc(OC)c1 537274111 VWOLJTAKPALZCN-HOTGVXAUSA-N 318.461 4.533 30 20 DJED CC(C)(C#N)CCCN1CC[C@](F)(c2cccc(Cl)c2)C1 548947040 VTEHSLWKWPBLAD-QGZVFWFLSA-N 308.828 4.540 30 20 DJED C/C(=C\c1ccccc1C(F)(F)F)CN1CCC(CC#N)CC1 565375151 VDGCXZUUGUIXBY-WYMLVPIESA-N 322.374 4.734 30 20 DJED C=CCN(Cc1cccc(C(=O)O)c1Cl)CC1CCCCC1 574331353 AOAFKNRKPQHTIG-UHFFFAOYSA-N 321.848 4.607 30 20 DJED N#Cc1ccc(/C=C\c2cccc(OCc3ccccc3)c2)nc1 603894079 RFDVDIDVGOUMMD-LUAWRHEFSA-N 312.372 4.703 30 20 DJED C=C(C)COc1cccc(NC(=O)N2CCC[C@@H](CC)CC2)c1 605032498 UQNOXSXUXUUQJE-MRXNPFEDSA-N 316.445 4.686 30 20 DJED CC[C@@](C)(C#N)NC(=O)CCCCc1ccc(C(C)(C)C)cc1 608879274 HGPLKJDIVUZOLX-FQEVSTJZSA-N 314.473 4.505 30 20 DJED CC(C)n1ncc2cc(N[C@H](C)c3ccc(C#N)c(F)c3)ccc21 611483066 SHQCFTLRJRSESW-CYBMUJFWSA-N 322.387 4.801 30 20 DJED CC(=NOCc1ccccc1)c1cccc(-c2ccncc2)c1 741458441 MGDCHKCAAXASFI-UHFFFAOYSA-N 302.377 4.689 30 20 DJED CCCCCC[C@@H](C)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 741900990 OPMBWXVQSVNKMS-MRXNPFEDSA-N 312.457 4.656 30 20 DJED CC(=NOCc1cccnc1)c1ccc(-c2ccccc2)cc1 746578050 YKKCMQWPVRLQSG-UHFFFAOYSA-N 302.377 4.689 30 20 DJED O=C(/C=C/c1cccc(-c2ccccn2)c1)c1cc(F)ccc1F 747695496 LZXLIGYBTMIYCQ-JXMROGBWSA-N 321.326 4.923 30 20 DJED C#CCCCCNC(=O)c1ccc(SCc2ccccc2)cc1 758639133 CSZONLUPQPUZFL-UHFFFAOYSA-N 323.461 4.512 30 20 DJED CC1(C)C(=NNc2ncnc3sccc23)C[C@H]1c1ccccc1 768481545 AYJORDCMJZXJSJ-AWEZNQCLSA-N 322.437 4.673 30 20 DJED O=C(/C=C\c1cc(F)cc(C(F)(F)F)c1)c1ccsc1 772807770 SUNLLIUQVRWCTQ-UPHRSURJSA-N 300.276 4.802 30 20 DJED C=C(C)[C@H](NCc1cnc(Cl)c(C)c1)c1ccc(F)c(F)c1 775318337 FBYHXVLMSAGATA-INIZCTEOSA-N 322.786 4.729 30 20 DJED N#CCOc1cccc(NCc2ccc(Oc3ccccc3)o2)c1 780768877 VHDVZCQUUZTBQZ-UHFFFAOYSA-N 320.348 4.586 30 20 DJED C/C(=C\c1cccc(Cl)c1)C(=O)OCCCC(C)(C)C#N 784406781 SHGKTLOKWANGMH-JLHYYAGUSA-N 305.805 4.616 30 20 DJED C[C@@H](ON=C(c1ccccc1)C(F)(F)F)c1ccc(C#N)cc1 784677347 SNVZERDLKHYIDZ-GFCCVEGCSA-N 318.298 4.602 30 20 DJED Cc1cc(C(=O)/C=C\c2cccs2)sc1Br 794733038 MIFXPRCKWJOCMB-PLNGDYQASA-N 313.241 4.777 30 20 DJED CCCCCCCCCC(=O)N[C@H]1CCCC12CCOCC2 800193801 QRUABGLFLKFJCE-KRWDZBQOSA-N 309.494 4.593 30 20 DJED Cc1ccc(/C=C/C(=O)c2c(F)cccc2Cl)cc1[N+](=O)[O-] 809159384 ONSJZFKPNUIFAB-BQYQJAHWSA-N 319.719 4.592 30 20 DJED Cc1cc(F)ccc1[C@@H](C)NCc1ccc(C#N)c(Cl)c1 815623773 HGUCOCHFFWISRJ-GFCCVEGCSA-N 302.780 4.510 30 20 DJED CCCCCCCC(=O)N1CCC[C@@H]1c1cccc(OC)c1 886552902 XUNNXQHRDOTAQD-GOSISDBHSA-N 303.446 4.719 30 20 DJED CC[C@H](N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cccc(C#N)c1 902778815 IQCWFXFNQJTZTL-HBMCJLEFSA-N 320.436 4.519 30 20 DJED CCCCc1ccc(C(=O)/C=C\c2ccc(O)c(OC)c2)cc1 916133846 OYOVMLAYPVAVAM-WQLSENKSSA-N 310.393 4.640 30 20 DJED COc1cc(OC)c(C(=O)/C=C/c2cccc(C)c2)cc1Cl 916154683 SMANRIGXVDWBIH-BQYQJAHWSA-N 316.784 4.562 30 20 DJED C[C@@H](OC(=O)c1ccccc1CC#N)c1cccc2ccccc12 920516826 KCBZENUOASYUGO-OAHLLOKOSA-N 315.372 4.824 30 20 DJED Cc1cc(C#N)ccc1COc1ccc(C(F)(F)F)cc1F 1307340013 UPRBOVZFXDIVMG-UHFFFAOYSA-N 309.262 4.604 30 20 DJED CC(C)(CC#N)CNCC(Cc1ccccc1)Cc1ccccc1 1308809460 BGJVLQGPJDSKAK-UHFFFAOYSA-N 320.480 4.617 30 20 DJED C=CCN(CC=C)C(=O)CC1c2ccccc2Oc2ccccc21 1317802342 RBEMQSJVYDUUAQ-UHFFFAOYSA-N 319.404 4.515 30 20 DJED O=C(CC#Cc1ccccc1)N(c1ccccc1F)C1CCCC1 1319668099 QDLBDBRBXGDARJ-UHFFFAOYSA-N 321.395 4.543 30 20 DJED C=CC[C@H](N[C@H]1CCCc2c1[nH]c1ccccc21)c1ccncc1 1346938043 LWPUBCOQBDKOTP-ICSRJNTNSA-N 317.436 4.847 30 20 DJED C=C[C@](C)(CC)c1nnc(-c2ccc(COc3ccccc3)o2)o1 1349977599 SOAFZBINHJBFJE-LJQANCHMSA-N 324.380 4.762 30 20 DJED CC(C)[C@H](CCc1ccccc1)C(=O)O[C@@H]1CCC[C@H](C#N)C1 1436649598 PUUQQNJDQLEFKB-OTWHNJEPSA-N 313.441 4.517 30 20 DJED CCCC1(CNc2cc(C)c(C#N)c3nc4ccccc4n23)CC1 1458298004 SMGCBLWULRPRIS-UHFFFAOYSA-N 318.424 4.660 30 20 DJED COc1cc(C#N)ccc1CSc1ccc(F)c(Cl)c1 1458855057 GXBGDWLMJBOPNA-UHFFFAOYSA-N 307.777 4.652 30 20 DJED COc1cccc([C@H](C)SCc2cccc(C#N)c2F)c1 1458993738 HXDHJZYBQBQQDM-LBPRGKRZSA-N 301.386 4.700 30 20 DJED Cc1cc(C)cc(C2=CCN(CCc3ccc(C#N)cc3)CC2)c1 1459781101 PFKYILWXCBWJSK-UHFFFAOYSA-N 316.448 4.507 30 20 DJED N#Cc1cccc(Oc2ccc(NC(=O)CCCC3CC3)cc2)c1 1521271383 FEMXWYZZFMBMBK-UHFFFAOYSA-N 320.392 4.869 30 20 DJED N#C[C@H]1CCC[C@H](OC(=O)c2ccccc2-c2ccccc2)C1 1525049143 REZQCQIKFSRFJF-RDJZCZTQSA-N 305.377 4.593 30 20 DJED C[C@@H](OC(=O)CC(C)(C)c1ccccc1)c1cccc(C#N)c1 1534850209 UVXIQNYGEYXNKA-OAHLLOKOSA-N 307.393 4.530 30 20 DJED CC[C@@H](C)c1ccc([C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)C)cc1 1540702500 PORKLTFYGIVHOP-AUUYWEPGSA-N 323.440 4.527 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)OCc1cc(C#N)ccc1F 1542582572 DJNLSLWQIDVIOC-MRXNPFEDSA-N 317.404 4.737 30 20 DJED CC(C)N(Cc1ccc(-c2ccccc2C#N)cc1)C1CCC1 1615887000 KVYNHNBYFIWAHV-UHFFFAOYSA-N 304.437 4.988 30 20 DJED COc1cc(C#N)ccc1CN1CCCc2cc(C(C)C)ccc21 1615954143 LOEAHSDEJGTLJI-UHFFFAOYSA-N 320.436 4.643 30 20 DJED C[C@@H]1CC[C@@H](c2ccccc2)N(Cc2ccc(F)c(C#N)c2)C1 1643045333 RSPAXMHHSZNFQY-QRWLVFNGSA-N 308.400 4.671 30 20 DJED N#Cc1cccc(CN2CC3(CCCC3)c3c(F)cccc32)c1 1644921943 HBLIKJRWMUJWHX-UHFFFAOYSA-N 306.384 4.529 30 20 DJED CCN(Cc1cccc(Oc2ccc(F)cc2)c1)C[C@@H](C)C#N 1651960441 RNTDPRVWMFXAEO-HNNXBMFYSA-N 312.388 4.600 30 20 DJED C[C@H]1CCc2c(F)cccc2[C@@H]1Nc1nc(C#N)c(Cl)s1 1655211834 KPSMGPNYJQADRY-ISVAXAHUSA-N 321.808 4.543 30 20 DJED Cc1ccc(C#N)c(N2C[C@H](c3ccccc3)c3ccccc32)n1 1655430381 JAQZQAYPOGQOCA-LJQANCHMSA-N 311.388 4.545 30 20 DJED CCOc1cccc(Cl)c1CN(CCC#N)CCC(C)C 1657466627 IEJBPEWFZSFINF-UHFFFAOYSA-N 308.853 4.500 30 20 DJED CC(C)CN(CCC#N)Cc1cc(C(F)(F)F)ccc1Cl 1664075387 MYIMETRLTIOQAU-UHFFFAOYSA-N 318.770 4.730 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NC/C(C)=C\c1ccccc1 1776782334 JSOLJFQXUVXJLJ-FCUDFIOSSA-N 317.473 4.883 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1csc(C)c1C 1776784443 NMYNQEMUDPWKTM-INIZCTEOSA-N 311.491 4.658 30 20 DJED COc1cccc(/C=C/C(=O)c2cccc(C)c2)c1OC(F)F 104769337 KDQQDTFWSZVMRZ-MDZDMXLPSA-N 318.319 4.501 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccc(-c2csc(C)n2)cc1 104986771 YRRUERLSIPUIGA-UHFFFAOYSA-N 315.442 4.548 30 20 DJED C=CCCC(=O)N(C)[C@H](C)c1sc(-c2ccccc2)nc1C 153458373 CDEHWIUBSZJGNY-CQSZACIVSA-N 314.454 4.604 30 20 DJED Cc1ccc(COc2ccc(Br)cc2C#N)cc1C 161769490 GXRGUAMBZCOVIH-UHFFFAOYSA-N 316.198 4.517 30 20 DJED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)C2CCC2)c1 173788287 WLQKIEIOIDAMEV-UHFFFAOYSA-N 324.811 4.545 30 20 DJED C=CCOc1ccc(/C=C\C(=O)c2ccc(C)s2)cc1OC 215886150 HSECCVGWWRLEJG-VURMDHGXSA-N 314.406 4.526 30 20 DJED CC(C)CCOc1ccc(CNc2cccc(OCC#N)c2)cc1 324842719 IMMKBYZXTWXUSD-UHFFFAOYSA-N 324.424 4.626 30 20 DJED CCc1nc(C)c(C/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)o1 329352927 FVKOHPMXIIQDLB-SOUVJXGZSA-N 304.434 4.608 30 20 DJED C[C@H]1CCC[C@@H](C(O)=Nc2csc(-c3ccccn3)n2)C1 329532268 JVTSQKPAOMLULA-NWDGAFQWSA-N 301.415 4.619 30 20 DJED N=C(O)[C@@H]1CCC[C@@H](/C(O)=N/[C@H]2CCCc3ccc(F)cc32)C1 330020499 AHKLJHMBGUMABW-IOASZLSFSA-N 318.392 4.501 30 20 DJED C=C[C@@H](CC(=O)N[C@@H]1CCCc2sccc21)c1ccccc1 341302466 DILCHCCSCKXTQU-WMLDXEAASA-N 311.450 4.602 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@]1(C)CCC[C@H]1C 410457027 IRFMAQCIOYNFBM-LBTNJELSSA-N 316.470 4.703 30 20 DJED CC[C@H](N[C@@H](C)c1ccc(F)cc1F)c1ccc(C#N)cc1 447511185 SFNSQUXFQFXYNM-SGTLLEGYSA-N 300.352 4.638 30 20 DJED CC[C@@H](Nc1cccc2c1OCC[C@H]2OC)c1ccc(C#N)cc1 448029108 PVONHQTZVKXBGZ-IEBWSBKVSA-N 322.408 4.591 30 20 DJED N#C[C@@H]1CC[C@@H](Sc2nnc(-c3ccc4ccccc4c3)o2)C1 450810682 MXCVDJABCWMLMU-MLGOLLRUSA-N 321.405 4.674 30 20 DJED C=CCCN(C)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 467011571 ZJXMNVNOFPAWLU-INIZCTEOSA-N 324.424 4.757 30 20 DJED CC(C)c1ccc(Sc2ccc(NC(=O)CC#N)cc2)cc1 475926186 OJDYQZJUWZWDDQ-UHFFFAOYSA-N 310.422 4.813 30 20 DJED Cc1cc(C)c2cc(CN[C@@H](C)c3ccc(C#N)cc3)[nH]c2c1 479564449 GXEKKLBXJMFTPY-HNNXBMFYSA-N 303.409 4.507 30 20 DJED C[C@@H](Sc1ncccc1C#N)c1cccc(Br)c1 481392393 MBBBWMQOQCNPKF-SNVBAGLBSA-N 319.227 4.569 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 487810964 IMTWUTDLXNLVOT-MRXNPFEDSA-N 310.784 4.510 30 20 DJED CCSc1ccc([C@@H](C)Nc2ncc(C#N)cc2Cl)cc1 505598270 VOVIPUBJSXCOEQ-LLVKDONJSA-N 317.845 4.892 30 20 DJED C=CCC(CC=C)C(=O)N1CC[C@@](F)(c2cccc(Cl)c2)C1 512417463 CUNZUGRGFXDMTF-SFHVURJKSA-N 321.823 4.506 30 20 DJED N#Cc1ccccc1CSCc1cc(-c2ccccc2)on1 524243282 XNCYMABOYBFIFJ-UHFFFAOYSA-N 306.390 4.647 30 20 DJED CC(C)c1cccc(-c2ccc(C(=O)N[C@@](C)(C#N)C(C)C)o2)c1 537348436 YTHKMWWOTDXHJC-FQEVSTJZSA-N 324.424 4.738 30 20 DJED N#Cc1ccc(SCC(=O)c2cccc(Cl)c2Cl)cc1 549221048 OGWMVHCRJFWZSC-UHFFFAOYSA-N 322.216 4.840 30 20 DJED Cc1cc2cc(CN[C@H](C)c3ccc(C#N)cc3Cl)ccc2[nH]1 556897166 JUTJYJZOIJDFNJ-CYBMUJFWSA-N 323.827 4.852 30 20 DJED CC(C)[C@H]1CN(C(=O)c2cc(C#N)ccc2Cl)c2ccccc21 572887044 IAEOOAXESYGYRQ-MRXNPFEDSA-N 324.811 4.612 30 20 DJED Cc1cccc(C)c1[C@H]1CCCN1C(=O)Nc1cccc(C#N)c1 596443399 HHMXVSXGTMJTPX-GOSISDBHSA-N 319.408 4.544 30 20 DJED Cc1ccc([C@@H]2CCCN2C(=O)CC2(C#N)CCCCC2)cc1 596723978 QGCDHELDVFKIJA-SFHVURJKSA-N 310.441 4.523 30 20 DJED N#Cc1ccc(Cl)cc1NCc1ccc(-c2ccncc2)cc1 610077313 PLDKVTVCOHNFNC-UHFFFAOYSA-N 319.795 4.886 30 20 DJED C(=Nn1cnc2ccccc21)c1cccc(Oc2ccccc2)c1 725849798 SMPMFPZNGUFMHL-UHFFFAOYSA-N 313.360 4.711 30 20 DJED CC1CCN(c2ccc(CNc3cccc(F)c3C#N)cc2)CC1 731029328 XIDJOUOEVBAEMR-UHFFFAOYSA-N 323.415 4.546 30 20 DJED Cc1ccc([C@@H]2CCCC2=NNc2nncc3ccccc23)cc1 741836590 DADNVADPDNIEPU-KRWDZBQOSA-N 316.408 4.674 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(C(C)C)cc2)cc1C#N 741848032 KVVMHQINEIZOJA-WMZJFQQLSA-N 305.377 4.586 30 20 DJED C=CCC(CC=C)C(=O)OCc1csc(-c2ccc(C)o2)n1 759006057 MUEBCZCZYUBHQB-UHFFFAOYSA-N 317.410 4.523 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N1CCC[C@H](N(C)C)CC1 760758248 NRDKITDMMAPPAH-OALUTQOASA-N 324.553 4.706 30 20 DJED CC(C)c1nc(C#N)c(NN=C[C@@H](C)c2cccc(Cl)c2)o1 763355307 CCXRCLOBBIODFE-LLVKDONJSA-N 316.792 4.524 30 20 DJED CCc1nc2ccccc2n1N=Cc1cnc(C2CCCC2)s1 767765390 PFQOLOVFBFWZBZ-UHFFFAOYSA-N 324.453 4.595 30 20 DJED O=C(/C=C/c1cc(Br)ccc1Cl)c1ccco1 769770794 JPDXDJOWPRAAQB-ZZXKWVIFSA-N 311.562 4.592 30 20 DJED CCCCCc1ccc([C@H](CC)NCc2ccc(C#N)cn2)cc1 783299549 DOTHJFSOYZJQJW-NRFANRHFSA-N 321.468 4.927 30 20 DJED COc1cc(C)c([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1C 787026660 NGDSEQRAINKODI-QRWLVFNGSA-N 320.436 4.522 30 20 DJED C=CCC[C@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccco1 796880531 FJJBWUVVIUDANS-MSOLQXFVSA-N 313.397 4.567 30 20 DJED Cc1cc(-c2ccccc2)ccc1NC(=O)c1cc(C#N)oc1C 797826561 WBSOGSRSBSCNAF-UHFFFAOYSA-N 316.360 4.687 30 20 DJED C=CC[C@H](N[C@@H]1CCC[C@H](c2ncccc2C)C1)c1ccncc1 798929213 NRWBAYUDZBAGJZ-ZCNNSNEGSA-N 321.468 4.718 30 20 DJED CCC[C@@H](CC(C)C)C(=O)N(CCC)Cc1ccc(C#N)cc1 1124887863 ZGHDNAOTHZKBQS-IBGZPJMESA-N 314.473 4.759 30 20 DJED Cc1c(Cl)cnc(N(C)[C@@H]2CCC[C@H]2C(C)(C)C)c1C#N 1163531143 OKQHDCHENOCLPS-UKRRQHHQSA-N 305.853 4.566 30 20 DJED CCCCN(Cc1cccc(F)c1C#N)[C@H](C)c1ccc(C)o1 1180239310 IBXBMJAWMWSEEL-OAHLLOKOSA-N 314.404 4.962 30 20 DJED C[C@H]1CSC[C@@H]1Nc1ccc(Oc2ccccc2)c(C#N)c1 1181112866 NOGSZBRLRBNFII-GUYCJALGSA-N 310.422 4.514 30 20 DJED CC(C)(C)c1ccc(CCNc2nc(C#N)c(Cl)s2)cc1 1184830817 OCGNMHNRFPOTKL-UHFFFAOYSA-N 319.861 4.620 30 20 DJED C[C@@H]1c2c(sc(NC(=O)C(C)(C)C3CC3)c2C#N)CC[C@H]1C 1274492573 ORWCKFJRZWLJLR-MNOVXSKESA-N 316.470 4.680 30 20 DJED N#CCOc1ccc(NC(=O)Nc2cccc(C3CCC3)c2)cc1 1330090406 NFULEBXLNHMMGL-UHFFFAOYSA-N 321.380 4.500 30 20 DJED CC[C@H](C#N)[C@@H](OC(=O)[C@@H](C)c1cccs1)c1cccs1 1343906314 PCDPCPYFKVHBKU-YWPYICTPSA-N 319.451 4.747 30 20 DJED Cc1ccc([C@@H]2CCC[C@H]2N(C)Cc2ccc(F)c(C#N)c2)cc1 1459555603 BYPQQGKAUIUWGL-PZJWPPBQSA-N 322.427 4.774 30 20 DJED Cc1ccc(CN(CCc2ccc(C#N)cc2)C(C)(C)C)cc1 1460483469 BKAZPRHVEYEZKU-UHFFFAOYSA-N 306.453 4.710 30 20 DJED Cc1cc(C)c(/C=C/CN[C@H](C)c2cccc(C#N)c2)c(C)c1 1461752813 JMEBBUGMHSNAGU-AHKGRUIUSA-N 304.437 4.848 30 20 DJED CC(C)[C@@H]1C[C@@H](OC(=O)c2ccc(F)c(C#N)c2)c2ccccc21 1524860087 DFAJCCFFIIXBNJ-PKOBYXMFSA-N 323.367 4.739 30 20 DJED CCc1ccc([C@@H](C#N)N(C)C(=O)CC2CCCCCC2)cc1 1534662823 LSRSEHDYWFRXLO-LJQANCHMSA-N 312.457 4.633 30 20 DJED CC(C)COc1ccccc1C(=O)O[C@@H](C)c1cccc(C#N)c1 1544187696 KBVMJQAPYVKMOM-HNNXBMFYSA-N 323.392 4.511 30 20 DJED N#Cc1cccc(C#N)c1Sc1c(Cl)cccc1Cl 1559049612 MZTCERDNOYTQQN-UHFFFAOYSA-N 305.189 4.888 30 20 DJED Cc1nc(N2CCC[C@@H]2/C=C/c2ccccc2)c(Cl)cc1C#N 1559292207 IBENBIBUFOKAMB-OAGJVSPASA-N 323.827 4.597 30 20 DJED CC(C)(C#N)CC(=O)Nc1c(-c2ccccc2)[nH]c2ccccc12 1597796528 LZAVRCZHWHHUPG-UHFFFAOYSA-N 317.392 4.713 30 20 DJED CC(C)(C)CN(CCC#N)Cc1ccc(-c2ccc(F)cc2)o1 1621144785 RCPJQCRWGZVQKP-UHFFFAOYSA-N 314.404 4.847 30 20 DJED N#Cc1c(F)cccc1CN1CCC[C@@H]1CC1CCCCC1 1621170363 LDZUIEPBSOJCKA-QGZVFWFLSA-N 300.421 4.632 30 20 DJED C[C@@H]1C[C@@H]1[C@H](NCCc1ccc(C#N)cc1)c1ccc(Cl)cc1 1645044420 KHLWEPQDTKIQOE-VOBQZIQPSA-N 324.855 4.741 30 20 DJED CCOc1ccccc1[C@H](CC(C)C)Nc1cccc(C#N)n1 1650828627 FFJISRWWLFSFGW-KRWDZBQOSA-N 309.413 4.551 30 20 DJED CCCCN(Cc1ccc(F)c(C#N)c1)[C@@H](C)c1ccc(C)o1 1657093382 MYGITVBXORUOOC-HNNXBMFYSA-N 314.404 4.962 30 20 DJED CC[C@@H](CN(CC)Cc1ccc(F)cc1C#N)c1ccccc1 1658336070 HLZDJNPBDWQNBR-INIZCTEOSA-N 310.416 4.713 30 20 DJED N#C[C@@H]1CC[C@H](N[C@H](c2ccc(F)cc2)C2CCCCC2)C1 1659841916 XDQSRWDHPWUSIF-CCKFTAQKSA-N 300.421 4.729 30 20 DJED Cc1csc(-c2ccc(NCc3ccc(C#N)s3)cc2)n1 125046465 JNEIASCQYUSHAM-UHFFFAOYSA-N 311.435 4.664 30 20 DJED N#CCC[C@@H](Nc1ccnc(-c2ccccc2)n1)c1ccccc1 164288750 KRXBVKLLIPICOR-GOSISDBHSA-N 314.392 4.601 30 20 DJED Cc1ccc(-c2ccc(C(=O)NCCCCC#N)c(F)c2)cc1C 171711000 RPNPIJJUKCRJND-UHFFFAOYSA-N 324.399 4.533 30 20 DJED C[C@H](SCc1cc(F)ccc1C#N)c1nc2ccccc2o1 183411086 WPZLPMCWSABVQC-NSHDSACASA-N 312.369 4.833 30 20 DJED C=CCC1(C(=O)Nc2ccccc2CCC(F)(F)F)CCC1 191923249 VVTSEMJJAIYSJN-UHFFFAOYSA-N 311.347 4.866 30 20 DJED C=C(C)[C@H](N[C@H]1CCCc2occc21)c1ccc(F)c(F)c1 193302648 DZUUNBVCRRTWQQ-WMZOPIPTSA-N 303.352 4.842 30 20 DJED N#CCCCOc1cccc(N[C@H](c2ccccc2)C2CC2)c1 194334373 QMYNBXMGDDSNJT-HXUWFJFHSA-N 306.409 4.932 30 20 DJED N#Cc1ccccc1COc1cccc(CNc2ccccc2)c1 237837483 XLLOCJINDWVPOU-UHFFFAOYSA-N 314.388 4.749 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C)cc1C 301750193 QCLDBMIKAKZEBR-UHFFFAOYSA-N 319.857 4.847 30 20 DJED CC[C@H](CC1CCCC1)/C(O)=N/[C@@H]1CCC(O)=NC12CCC2 328714210 CGIWELAEQMYKLJ-HUUCEWRRSA-N 306.450 4.591 30 20 DJED CC1(C)CCC(/N=C(/O)c2ccc3c(c2)N=C(O)C3(C)C)CC1 328816259 CUEHEPANHTXWPQ-UHFFFAOYSA-N 314.429 4.839 30 20 DJED Cc1cc(O)nc2cc(/C(O)=N/[C@@H]3CC[C@@H]4CCC[C@@H]4C3)ccc12 329329979 LJAMBXQAMQBITC-SQWLQELKSA-N 324.424 4.522 30 20 DJED C[C@@H]1C[C@H](N[C@H](C)c2ccc(C#N)cc2)c2ccsc2S1 336839312 JPJGHXMOXGAION-HSMVNMDESA-N 314.479 4.896 30 20 DJED C[C@H](c1ccccc1Cl)N(C)Cc1ccc(C#N)c(F)c1 404082523 PZBPPFDKUAEMPI-GFCCVEGCSA-N 302.780 4.544 30 20 DJED C=C(C)CNC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 429417399 KTZGPBMBSTUTMI-HNNXBMFYSA-N 310.397 4.524 30 20 DJED C=CC1CCN(C(=O)Nc2cc(-c3ccc(C)o3)ccc2C)CC1 432980482 VKHBPKYRKGJXCO-UHFFFAOYSA-N 324.424 4.993 30 20 DJED CC[C@@H](Nc1cn(-c2ccccc2)nc1C)c1ccc(C#N)cc1 447600684 MYCVKYXYKHGBNK-LJQANCHMSA-N 316.408 4.616 30 20 DJED C=C(C)COc1cccc(NCc2ccnn2C2CCCC2)c1 449052356 DKVGOEJNAAKVBI-UHFFFAOYSA-N 311.429 4.565 30 20 DJED C=CCC1(NCc2csc(-c3ccccn3)n2)CCCCC1 449578015 YRNRKGBJYOWHOZ-UHFFFAOYSA-N 313.470 4.574 30 20 DJED C=CC(C)(C)CN[C@H](c1cccnc1)c1cc2ccccc2o1 453308749 NYTNHXCCIXAQNB-LJQANCHMSA-N 306.409 4.719 30 20 DJED CC#CCCCC(=O)N1CC2(CCCCC2)[C@@H]1c1ccccc1 458121340 HUDAGTOZRPVIOC-FQEVSTJZSA-N 309.453 4.714 30 20 DJED CCC(CC)CN(CCC#N)C(=O)[C@@H](C)c1cccc(Cl)c1 461119599 ZUYCEBAODHSYPV-AWEZNQCLSA-N 320.864 4.622 30 20 DJED CCCC[C@@H](CC)C(=O)N(Cc1ccc(C#N)cc1)C(C)C 463312004 ZMBAAJDTZYBYSC-GOSISDBHSA-N 300.446 4.512 30 20 DJED C[C@@H](CC1CCCCC1)NC(=O)c1ccc(C(C)(C)C#N)cc1 477103343 UBMJBXMLBSJDKN-HNNXBMFYSA-N 312.457 4.576 30 20 DJED CC1(C)CC[C@@H](NCc2ccc(C#N)cc2F)c2ccccc21 532570060 YEHROBXEFZYVPS-LJQANCHMSA-N 308.400 4.600 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1cccc(-c2ccoc2)c1 536306284 KKHOSYJLTSMAQB-UHFFFAOYSA-N 323.417 4.837 30 20 DJED C[C@H](NCc1ccc(CC#N)cc1)c1ccccc1C(F)(F)F 543185372 KTQKARDTPZBNJQ-ZDUSSCGKSA-N 318.342 4.622 30 20 DJED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(C2CC2)c1 556151535 PFRPBNFBWRRTTK-OAHLLOKOSA-N 302.421 4.776 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NC1CC(c2cccc(F)c2)C1 558081253 UUXGLUFBIKYKNR-CNBHCMJISA-N 320.411 4.611 30 20 DJED C=CCC(C)(C)c1noc(Cc2c[nH]c3ccc(Cl)cc23)n1 575029945 XZCJFDWCKXAKJI-UHFFFAOYSA-N 315.804 4.649 30 20 DJED N#CCC1CCN(CCCc2c(Cl)cccc2Cl)CC1 576522556 OZMIWVINJXJWNH-UHFFFAOYSA-N 311.256 4.552 30 20 DJED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1nccc2ccccc12 589340542 JMYVGMZJHGMLQX-CABCVRRESA-N 301.393 4.518 30 20 DJED Cc1c(F)ccc(Cl)c1NC(=O)CC1(C#N)CCCCC1 598832150 OVEKNQCGFJFQTM-UHFFFAOYSA-N 308.784 4.590 30 20 DJED CCc1cc(NN=C2CCCCCCC2)nc(-c2ccccn2)n1 730463583 JWYWHNSWFGJNPE-UHFFFAOYSA-N 323.444 4.613 30 20 DJED CC(C)c1ccc([C@@H](C)NN=Cc2cccc(F)c2F)cc1 730728018 GEYUIOWANZFIQD-CYBMUJFWSA-N 302.368 4.773 30 20 DJED CC(C)n1ncc2cc(N=Cc3cc(Cl)ccc3O)ccc21 735229053 PSJRQKUQPOCKIL-UHFFFAOYSA-N 313.788 4.727 30 20 DJED Cc1cc(C)cc(/C=C\C(=O)c2c(Cl)nc3ccccn23)c1 737451383 YYGCXCBQFVXHKB-SREVYHEPSA-N 310.784 4.501 30 20 DJED Fc1ccccc1C=NOCc1csc(C2CCCCC2)n1 744179811 HBJBKCZWFPBFCZ-UHFFFAOYSA-N 318.417 4.881 30 20 DJED Cc1ccc(-c2nc(CON=Cc3ccccc3C)cs2)o1 744180730 YZMRIPGDXNHMFX-UHFFFAOYSA-N 312.394 4.571 30 20 DJED C=CCCC(=O)O[C@H](C)C(=O)c1ccc(Oc2ccccc2)cc1 744919847 GDQJXRQMDBGPMW-OAHLLOKOSA-N 324.376 4.560 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)C[C@@H]2CCCC[C@H]2C)n1 747193546 JSHKNTQMGRCVRU-HZSPNIEDSA-N 304.459 4.659 30 20 DJED N#Cc1csc(/C=C\C(=O)c2cccc(Cl)c2Cl)c1 748439821 ABFCESPEAIUOJX-PLNGDYQASA-N 308.189 4.823 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)s1 748994163 IHRMXGYVSMKASF-GQCTYLIASA-N 308.189 4.823 30 20 DJED Clc1cncc(NN=C2CCC[C@@H]2c2ccccc2Cl)n1 758102709 CFHLZURLSOPQNZ-LLVKDONJSA-N 321.211 4.519 30 20 DJED CC(C)c1ncc(/C=C2/CSc3c(F)cccc3C2=O)s1 758429998 NQBWMYHTNNINHL-POHAHGRESA-N 319.426 4.778 30 20 DJED CC(C)(C#N)CCCNc1ccc(OC2CCCC2)c(F)c1 762799161 BSDKQSBXZGTFJD-UHFFFAOYSA-N 304.409 4.889 30 20 DJED CCCCOc1ccccc1/C=C/C(=O)c1ccc(C#N)s1 767360860 SUQPINRMZQAMJZ-CSKARUKUSA-N 311.406 4.695 30 20 DJED N#Cc1cc(/C=C/C(=O)c2cc3ccccc3s2)ccc1F 780189095 SZQDHXQEOWALDW-SOFGYWHQSA-N 307.349 4.808 30 20 DJED C[C@H](CC(=O)OCC(C)(C)CCC#N)c1c[nH]c2ccccc12 798878440 BQAIMGKLGHMUBU-CQSZACIVSA-N 312.413 4.535 30 20 DJED C#Cc1ccc(CN2CCCC[C@H]2c2nc3ccccc3o2)cc1 809585763 MXLHKFJRRHWXQL-IBGZPJMESA-N 316.404 4.536 30 20 DJED N#CCCCCCC(=O)Oc1ccc(OCC2CC2)c(Cl)c1 816215728 JOQGNBFUCLAUKB-UHFFFAOYSA-N 321.804 4.508 30 20 DJED CCc1ccc(-c2noc([C@@H](C#N)CCc3ccccc3)n2)cc1 904575146 YEDHEHBPDXFQFX-GOSISDBHSA-N 317.392 4.539 30 20 DJED CCC(=NNc1ncccc1C(F)(F)F)c1ccc(C)cc1 915050473 RITVONIGSQIMHI-UHFFFAOYSA-N 307.319 4.635 30 20 DJED C[C@@H]1CCCC[C@H]1OCC/N=C/c1c(O)ccc2ccccc12 915979784 SOVGDSLQMMVFPJ-HTHJGZIESA-N 311.425 4.560 30 20 DJED CCOc1cc(C=NNc2cccc(C)c2)cc(Cl)c1OC 916256076 KYPVLLMPBZDWOC-UHFFFAOYSA-N 318.804 4.502 30 20 DJED CCCCCCCCCN(C)C(=O)N[C@H](C)c1ccccn1 919654914 NTUQHZSOTJFBLH-MRXNPFEDSA-N 305.466 4.535 30 20 DJED Oc1c(Cl)cc(Cl)cc1C=Nc1ccc(F)c(F)c1 920942492 GKYFZYSUBHSVII-UHFFFAOYSA-N 302.107 4.728 30 20 DJED C[C@H](CC(C)(C)C#N)Nc1ccc(-c2cnc(C3CC3)o2)cc1 926050158 RUTWGSPKPVVLGT-CYBMUJFWSA-N 309.413 4.959 30 20 DJED Cc1c(C#N)cccc1C(=O)N[C@@H](C)c1csc2ccccc12 1119925034 CIKCZPGKPLRBCF-ZDUSSCGKSA-N 320.417 4.572 30 20 DJED CC(C)c1ccc2ncnc(N[C@@H](C)c3cccc(C#N)c3)c2c1 1156876159 LMBMWKTUYAHNAP-AWEZNQCLSA-N 316.408 4.798 30 20 DJED CC[C@H]1CCCC[C@@H]1N(C)Cc1cc(Cl)ccc1OCC#N 1169331647 JZDXUDFYZFLHKA-YOEHRIQHSA-N 320.864 4.643 30 20 DJED C[C@H](CCNc1ncc(Br)cc1C#N)CC(C)(C)C 1186122060 ZWXRITKRRPPKGJ-LLVKDONJSA-N 324.266 4.590 30 20 DJED Cc1c(C#N)cccc1-c1nc(-c2cccc(C(F)F)c2)no1 1323603994 RGLDQECUGRPGFK-UHFFFAOYSA-N 311.291 4.521 30 20 DJED CCCCc1ccc([C@H](NC(=O)CC(C)(C)C#N)C(C)C)cc1 1348959640 ZTWNIGCUOUJBEQ-LJQANCHMSA-N 314.473 4.782 30 20 DJED C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@H]3C)c2C#N)C1 1349230680 VJFGDGXTTOVDHZ-UPJWGTAASA-N 316.470 4.509 30 20 DJED CCC(CC)(CNc1ncc(C#N)cc1Cl)c1ccccc1 1458235475 ZOUBOWIRAOFUNF-UHFFFAOYSA-N 313.832 4.777 30 20 DJED CCC(CC)CN(CC)Cc1cc(C#N)ccc1Br 1459306716 LBIGAWABVJPWKH-UHFFFAOYSA-N 323.278 4.579 30 20 DJED N#Cc1ccccc1-c1ccc(CN2CCC[C@H]2C2CCC2)cc1 1473145237 QILIWVOOYUQLBR-QFIPXVFZSA-N 316.448 4.990 30 20 DJED N#Cc1ccc(CN2CCC[C@H]2CC2CCCCC2)c(F)c1 1474365201 XXXYGKUXXVMJQC-SFHVURJKSA-N 300.421 4.632 30 20 DJED CCCc1ccc([C@H](NC(=O)c2cc(C#N)oc2C)C(C)C)cc1 1520258091 YUMQJCYDLWJZAZ-LJQANCHMSA-N 324.424 4.539 30 20 DJED CCOc1cccc([C@H](CC)OC(=O)c2cccc(C#N)c2C)c1 1532025189 LKRCFEBIJZMSFR-IBGZPJMESA-N 323.392 4.574 30 20 DJED CC[C@H](CC(=O)N(CC)c1ccc(C#N)cc1)c1ccc(C)cc1 1538805208 XANQYJQSCSOKGY-GOSISDBHSA-N 320.436 4.804 30 20 DJED C[C@@H](NCCc1c(Cl)cccc1Cl)c1cccc(C#N)c1 1560135581 ULXYDTOOSONNBH-GFCCVEGCSA-N 319.235 4.758 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C1 1584703467 RZJOXBCJBHFDBK-QXCFHYIPSA-N 311.425 4.586 30 20 DJED C[C@H]1C[C@H](c2ccccc2)N(c2nc(C(C)(C)C)ccc2C#N)C1 1612362389 NPZGGCUYEBTGMT-MAUKXSAKSA-N 319.452 4.838 30 20 DJED N#Cc1nc(N2CCC[C@H]2CC2CCCCC2)ccc1Cl 1642165363 GJJMNUCXZKLLSR-AWEZNQCLSA-N 303.837 4.546 30 20 DJED Cc1ccc(C#N)c(N[C@@H](C)Cc2ccc(Cl)cc2Cl)n1 1650713513 RJYGISFPNWWMKP-NSHDSACASA-N 320.223 4.612 30 20 DJED Cc1cccc(C)c1CNc1c(Br)cccc1C#N 1651673317 MRRUODHUQJVVDS-UHFFFAOYSA-N 315.214 4.550 30 20 DJED CC[C@H](Nc1snc(Cl)c1C#N)c1ccc(C)c(F)c1 1651699751 UWZKYARZQWEYGU-LBPRGKRZSA-N 309.797 4.679 30 20 DJED CC[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)c1ccc(F)cc1 1655311402 PXNPQOKCYNAQIE-CYBMUJFWSA-N 323.293 4.674 30 20 DJED CC(C)(C)[C@H]1CN(c2ncc(C#N)cc2Cl)c2ccccc21 1655428418 VCFCOWQXZOWKQR-AWEZNQCLSA-N 311.816 4.888 30 20 DJED Cc1cc(C#N)ccc1CN1CCc2cc(C(C)(C)C)ccc2C1 1657134745 DDYKXZZBYLICQF-UHFFFAOYSA-N 318.464 4.723 30 20 DJED CCCC[C@H]1CCCC1=NNc1ccc(Cl)c(C(=O)O)c1 1776033400 AMCMXNYTYYUFRN-NSHDSACASA-N 308.809 4.796 30 20 DJED CC(C)c1cccc(C(=O)/C=C/c2ccc(/C=C/C(=O)O)cc2)c1 1776375333 GVVDSRXTHGMKPP-DCIPZJNNSA-N 320.388 4.804 30 20 DJED C=CCN(C(=O)c1ccc(C)o1)c1nc(-c2ccccc2)cs1 14723546 FWYKJQKFNRBTAR-UHFFFAOYSA-N 324.405 4.544 30 20 DJED N#Cc1ccccc1CSCc1cccc(OC(F)F)c1 65271039 KRDNQZBJVAGLBJ-UHFFFAOYSA-N 305.349 4.593 30 20 DJED CCOc1cccc(/C=C/C(=O)c2c[nH]c3cc(F)ccc23)c1 72059102 NSWZMPMQOUAGRG-RMKNXTFCSA-N 309.340 4.602 30 20 DJED C=C(Cl)CSc1nn(-c2ccccc2)c(=S)s1 72735655 MKPNRYNPCTUIMA-UHFFFAOYSA-N 300.861 4.508 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1C 152757178 WOTXYEYBMAEHRF-UHFFFAOYSA-N 320.845 4.930 30 20 DJED Cc1ccccc1[C@@H](C)CC(=O)[C@H](C#N)c1nc2ccccc2o1 172210014 YRTSKWSURFAYRO-HOCLYGCPSA-N 318.376 4.506 30 20 DJED CC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1cc(F)ccc1F 178176943 DHIWGJHGUVACRJ-SGTLLEGYSA-N 300.352 4.638 30 20 DJED Cc1ccc(-c2nc(/C=C/C(=O)c3ccc(Cl)nc3)co2)cc1 179414078 QYICYQBNZRWCNK-BQYQJAHWSA-N 324.767 4.595 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(C(C)C)s2)n1 184569522 NQXAQNXKPOEFIL-NSHDSACASA-N 318.467 4.941 30 20 DJED Cc1cccc(/N=C2\N=C(O)/C(=C/c3ccc(C#N)cc3)S2)c1 206061124 LOFZRTHFZOLQNK-YBEGLDIGSA-N 319.389 4.599 30 20 DJED N#Cc1ccc(Oc2cccc(Cl)c2)cc1Br 228200357 CEJCPVJZLNTIHM-UHFFFAOYSA-N 308.562 4.766 30 20 DJED N#CCC[C@@H](NCc1ccnc(Cl)c1Cl)c1ccccc1 290841995 IVOWOFIYNFHVSW-CQSZACIVSA-N 320.223 4.523 30 20 DJED CC(C)N(CCCC1(C#N)CCOCC1)[C@H](C)c1ccccc1 292343399 XBOZNJYAPSDLDF-GOSISDBHSA-N 314.473 4.559 30 20 DJED Cc1cc(SCc2ccc(F)cc2C#N)nc2ccccc12 303196925 NKIVDKPUYKXMFM-UHFFFAOYSA-N 308.381 4.846 30 20 DJED N#CC1(/C(O)=N/C2[C@H]3CC[C@H]2Cc2ccccc2C3)CCCCC1 329203179 CNYLLEQBLNAJMJ-ROUUACIJSA-N 322.452 4.611 30 20 DJED Cc1scc(C(=O)Nc2sc(C(C)(C)C)cc2C#N)c1C 411007430 NPOHZEAKPJNGML-UHFFFAOYSA-N 318.467 4.848 30 20 DJED CC[C@@H](C)Oc1cccc(NC(=O)Nc2ccc(CC#N)cc2)c1 432647210 ZSADDCSTIMBQFH-CQSZACIVSA-N 323.396 4.574 30 20 DJED N#C[C@H]1CC[C@@H](NCc2ccccc2Sc2ccccc2)C1 442784431 PMLRIIOVKHEBFU-DOTOQJQBSA-N 308.450 4.620 30 20 DJED C=CC[C@H]1N(C(=O)Nc2ccc3[nH]ccc3c2)CCCC1(C)C 445242033 RZYOXAHXVVLIJO-QGZVFWFLSA-N 311.429 4.767 30 20 DJED Cc1ccc([C@@H]2CCCN2C(=O)Nc2cc(C)cc(C#N)c2)cc1 456000108 LCFPPBBGUHHTDT-IBGZPJMESA-N 319.408 4.544 30 20 DJED C=C[C@@H](C)NC(=O)Nc1cccc(CSC2CCCC2)c1 465252123 IZZAELDGXAGLMZ-CYBMUJFWSA-N 304.459 4.558 30 20 DJED CC[C@@H](CC(F)(F)F)N[C@@H]1CCCCc2cc(C#N)ccc21 482002256 PCHZDXGJEUVTSY-GOEBONIOSA-N 310.363 4.646 30 20 DJED C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)c1cc2ccccc2o1 482570507 XOVHPZJNUNUORI-LLVKDONJSA-N 324.767 4.700 30 20 DJED C=CC[C@H](C(=O)Nc1cccc(Cl)c1OC)c1ccccc1 488684357 BSOHJMWXIULEPV-AWEZNQCLSA-N 315.800 4.647 30 20 DJED CCn1c2ccccc2c2cc(NC(=O)[C@](C)(C#N)CC)ccc21 505917643 SOUOJWFHHSLZRE-FQEVSTJZSA-N 319.408 4.693 30 20 DJED C[C@H](F)CCN[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 509007029 OIWMTDBGBORSLW-KWQFWETISA-N 317.248 4.647 30 20 DJED N#CCC1CCN(Cc2ccc(-c3ccccc3)cc2F)CC1 542854178 NWSLIMIFJAFDDT-UHFFFAOYSA-N 308.400 4.618 30 20 DJED Cc1nnc(N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1 543895532 AWRHRNBTNSBWRH-GFCCVEGCSA-N 320.421 4.558 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc2cc[nH]c12 548066684 ZRUHBUAUAAFKEA-UHFFFAOYSA-N 319.408 4.778 30 20 DJED C=CCC(C)(C)c1noc(C2CC(c3cccc(F)c3)C2)n1 551142830 GCJYVOXQCHWETE-UHFFFAOYSA-N 300.377 4.724 30 20 DJED CCCCN(C(=O)c1cccc(CC#N)c1)[C@@H]1CCC[C@H](C)C1 578930805 LZDVZBSGLNSVQH-QFBILLFUSA-N 312.457 4.574 30 20 DJED C[C@H](N[C@@H]1CCCc2c1[nH]c1ccccc21)c1cccc(C#N)c1 588954965 PXJJBMBIZUEZOG-VBKZILBWSA-N 315.420 4.768 30 20 DJED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cc2ccncc2s1 595039268 FLMUYSREAOLVJS-SJCJKPOMSA-N 319.433 4.506 30 20 DJED CCN(C(=O)C[C@H](C)CC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 603956530 VJMFFFNQQZOSPR-JKSUJKDBSA-N 314.473 4.930 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc2ncsc2c1 606940276 DPXSYWFOPHUMRC-UHFFFAOYSA-N 303.431 4.506 30 20 DJED CCCCN(C(=O)c1cc(C#N)cs1)[C@@H](C)c1ccc(C)o1 610613727 RFVGLQIXKJJNNJ-ZDUSSCGKSA-N 316.426 4.525 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2CCC[C@H]2c2ccccc2)n1 613410439 LVGSKAWPTXLMRX-KRWDZBQOSA-N 305.425 4.592 30 20 DJED Cc1cc(C#N)ccc1CN(C)[C@@H](C)c1cc2ccccc2o1 614396095 VDRJAQBNFAGDDJ-HNNXBMFYSA-N 304.393 4.806 30 20 DJED COc1cc(/C=C/C(=O)c2sccc2C)cc(Cl)c1OC 733748694 HCTYBIVDJXXCFP-SNAWJCMRSA-N 322.813 4.623 30 20 DJED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1ccc(Cl)c(F)c1 739423746 CJGKNPPKNWQACM-QPJJXVBHSA-N 319.719 4.592 30 20 DJED Cc1ccsc1C(=O)/C=C\c1cc(Cl)ccc1[N+](=O)[O-] 739423793 DAUJHXMIUUMZJC-DJWKRKHSSA-N 307.758 4.514 30 20 DJED C=CCOc1ccc(CNCc2c(C)cccc2F)cc1Cl 742380969 METVBTXSYHSSGW-UHFFFAOYSA-N 319.807 4.642 30 20 DJED COCc1cccc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)c1 742429720 WPGZUGGOXYKBMI-HJWRWDBZSA-N 320.310 4.748 30 20 DJED Brc1cccc(NN=C/C=C\c2ccccc2)c1 745992066 VQLBWSLWIPPTGS-HPQKFPEESA-N 301.187 4.560 30 20 DJED Cc1cc2cc(/C=C\C(=O)c3cnn(C(C)C)c3)oc2cc1C 749808819 ZSVRMVGNMSKSMV-WAYWQWQTSA-N 308.381 4.723 30 20 DJED C[C@@H](Nc1nc2ccccc2cc1C#N)c1ccc(F)cc1F 750011368 QDCYHELKMKRMEG-LLVKDONJSA-N 309.319 4.558 30 20 DJED Cc1ccc(-c2ccc(C(=O)O[C@@H](C#N)C(C)C)c(F)c2)cc1 751161685 TVYZPBQTWNLQMJ-SFHVURJKSA-N 311.356 4.506 30 20 DJED CCCOc1cccc(C=NOc2ccccc2C(F)(F)F)c1 754712858 VWYGUAKHYSPMON-UHFFFAOYSA-N 323.314 4.907 30 20 DJED C=CC[C@H]1N(C(=O)CCCc2ccsc2)CCCC1(C)C 767227633 HVQPICPRIMOGPP-MRXNPFEDSA-N 305.487 4.664 30 20 DJED CCCCCOc1ccc(C(=O)/C=C/c2cncs2)cc1 767717570 BMBWISWLCAXLMO-MDZDMXLPSA-N 301.411 4.608 30 20 DJED CC(C)C(=NNc1cc(C#N)cc(Cl)n1)C1CCCCC1 768381468 HLAQDYACUPVCEZ-UHFFFAOYSA-N 304.825 4.611 30 20 DJED CCc1cccc(CC)c1NC(=S)Nc1cccc(C#N)c1C 769794736 GVIMUBNWSKFLBA-UHFFFAOYSA-N 323.465 4.800 30 20 DJED C#CC[C@@H](N[C@@H](CC)c1ccc(OC)c(OC)c1)c1ccccc1 773114936 KYOVRTYMMDGYMT-RBUKOAKNSA-N 323.436 4.509 30 20 DJED CCNc1ccc(C#N)cc1NCc1ccc(C(F)(F)F)cc1 776847592 KQVZTTXQPFGSJK-UHFFFAOYSA-N 319.330 4.621 30 20 DJED C#Cc1cccc(NCc2ccc(OC(F)F)c(Cl)c2)c1 779365902 UCSGABUEFDAPPX-UHFFFAOYSA-N 307.727 4.535 30 20 DJED CCCCOc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1 793525666 PICBYJZVVLCVHD-MRXNPFEDSA-N 308.425 4.588 30 20 DJED CC(C)(C#N)c1ccc(C(=O)OCc2ccc(Cl)s2)cc1 796039708 PHEHBKDPUINSGY-UHFFFAOYSA-N 319.813 4.560 30 20 DJED CC(/C=C/C(=O)c1cc(C)c(C)o1)=C\c1cccc([N+](=O)[O-])c1 799896682 XWAWYAYJODBUPO-ANKZSMJWSA-N 311.337 4.647 30 20 DJED C=CC[C@H](NC1CC(c2cc(F)cc(F)c2)C1)c1ccncc1 809621270 ZJGOMNAMWXSQIU-PPSBMQLTSA-N 314.379 4.513 30 20 DJED C#C[C@H](NCc1cc(C)sc1C)c1ccc(Cl)cc1F 809698769 IKRIEBVSYVMGCD-INIZCTEOSA-N 307.821 4.622 30 20 DJED CCCCCCCC(=O)Nc1nnc(-c2ccccc2)s1 886487983 BUEVNZHVLYAJQZ-UHFFFAOYSA-N 303.431 4.504 30 20 DJED C=CCCCCC[C@H](C)N[C@H](C(=O)O)c1cc(C)cc(C)c1 901532944 YMNIOWYWWGCKPD-WMZOPIPTSA-N 303.446 4.544 30 20 DJED CCOc1ccccc1/C=C\C(=O)c1cccc(OC(F)F)c1 916128259 SAUDAUUETGGEDA-KHPPLWFESA-N 318.319 4.583 30 20 DJED CC(C)CC(=NNc1ccc([N+](=O)[O-])cc1)c1cccs1 917528676 CDOYBLKYRJVIDN-UHFFFAOYSA-N 303.387 4.519 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)Cc1cscc1Cl 1180153871 MNIQIMOYICWJBQ-UHFFFAOYSA-N 318.873 4.931 30 20 DJED CC[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(C#N)s1 1191234530 VKQOTUGGOJNBRY-OALUTQOASA-N 310.466 4.778 30 20 DJED C[C@H]1CCCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)[C@@H]1C 1205528186 FEDCYTPMSXITSL-NWDGAFQWSA-N 319.474 4.570 30 20 DJED N#Cc1ccc(CN[C@@H]2CCC[C@H](c3ccccc3)C2)cc1F 1256109110 UUZVLMYEJTWRBL-PKOBYXMFSA-N 308.400 4.513 30 20 DJED N#Cc1ccc2c(c1)N(Cc1csc(C3CCCCC3)n1)CC2 1307650684 AVDCQTBQRIDVBX-UHFFFAOYSA-N 323.465 4.625 30 20 DJED C[C@H](Oc1ccc2ccccc2c1)c1nnc(C#CC(C)(C)C)o1 1327330592 CBWFGGSZGJIFCB-AWEZNQCLSA-N 320.392 4.760 30 20 DJED C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1csc(C#N)c1 1328231894 CLEMCGFEOJFIJZ-CQSZACIVSA-N 324.449 4.623 30 20 DJED C[C@H](OC(=O)Cc1ccc(C(C)(C)C)cc1)c1ccc(C#N)cc1 1354918647 KLYMEXVINGGIBV-HNNXBMFYSA-N 321.420 4.703 30 20 DJED CCC[C@@H](CC)NC(=O)c1ccccc1Oc1ccccc1C#N 1357339033 XAFLRFFYSXMDKM-MRXNPFEDSA-N 322.408 4.659 30 20 DJED CC(C)c1cccc(Nc2ncc(C#N)cc2Br)c1 1458058392 BUDHPFBGYPPNGH-UHFFFAOYSA-N 316.202 4.583 30 20 DJED Cc1nc(NC[C@@H]2CCCC[C@H]2c2ccccc2)ccc1C#N 1458384751 QGCRTTITTFUTIK-OALUTQOASA-N 305.425 4.648 30 20 DJED CC1(C)CCCC[C@H]1CC(=O)N[C@H]1CCCc2cc(C#N)ccc21 1460983074 MUKWTSRFGUVHNT-HKUYNNGSSA-N 324.468 4.658 30 20 DJED CC(C)(C)Oc1ccc(NC(=O)[C@H]2CCCC2(C)C)cc1C#N 1533755038 OGGCKVUROMTPHR-OAHLLOKOSA-N 314.429 4.500 30 20 DJED CCC[C@@H](C(=O)O[C@H](C)c1cccc(C#N)c1)c1ccccc1 1534850194 SUZQFQGCOIGBMF-DNVCBOLYSA-N 307.393 4.746 30 20 DJED Cc1ccc([C@@H]2CCC[C@@H]2OC(=O)c2cc(C#N)ccc2C)cc1 1537897951 VODRMDGOQGZLPV-ICSRJNTNSA-N 319.404 4.668 30 20 DJED Cc1cc(C#N)cc(NCc2ccc(C(F)(F)F)c(C)c2)c1 1560504026 HDQKSAZLOOUQLG-UHFFFAOYSA-N 304.315 4.806 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N(C)c1cccc(C(C)C)c1 1623179742 UHOCCDMAILSLNO-UHFFFAOYSA-N 307.397 4.658 30 20 DJED C[C@H](Nc1ncc(C#N)cc1F)c1ccc(-c2ccccc2)cc1 1639742439 VGJZLKTUTRAMAG-AWEZNQCLSA-N 317.367 4.932 30 20 DJED N#Cc1ccc(Br)c(CSc2cccc(F)c2)c1 1652694116 CCZWPSSEYDPGPT-UHFFFAOYSA-N 322.202 4.752 30 20 DJED C[C@H](NCc1cc(Cl)cc(Cl)c1)c1ccc(C#N)cc1 37652507 MKILFADSFIIROT-NSHDSACASA-N 305.208 4.716 30 20 DJED C[C@@H](C#N)CSc1ccccc1NCc1ccc(F)c(F)c1 117869258 HWYMJVNMZHLOKG-LBPRGKRZSA-N 318.392 4.829 30 20 DJED C[C@H](CSC(C)(C)C)Nc1cccc(OCCCC#N)c1 179819454 UZHVQBDPYITTQW-CQSZACIVSA-N 306.475 4.701 30 20 DJED CCCC(=O)Nc1cccc(N[C@H](C)c2cccc(C#N)c2)c1C 180173647 XOMGERUQLFTOAH-OAHLLOKOSA-N 321.424 4.778 30 20 DJED C[C@@H](Nc1ccc(Nc2ccc(C#N)cn2)cc1)c1ccccc1 301141723 IONOVYSVBQRADV-OAHLLOKOSA-N 314.392 4.870 30 20 DJED N#Cc1ccnc(Oc2ccc(C3CCCCC3)cc2)c1[N+](=O)[O-] 301629978 IQCDYWJPVRSJRI-UHFFFAOYSA-N 323.352 4.701 30 20 DJED C[C@H](N[C@@H](CC(F)F)c1ccccc1)c1ccc(C#N)cc1 421880619 QOWQJYVBKBQRIA-GUYCJALGSA-N 300.352 4.605 30 20 DJED CC(C)[C@H](NCC1(CC#N)CC1)c1ccc(C(F)(F)F)cc1 430750081 YGBCODYJFONULV-HNNXBMFYSA-N 310.363 4.686 30 20 DJED CC(C)(C#N)CCCCSc1nc2c(cc1C#N)CCCC2 436208819 KIBQUFOEZGNVMR-UHFFFAOYSA-N 313.470 4.644 30 20 DJED C=CCN(Cc1cccs1)C(=O)[C@@H](c1ccccc1)C(C)C 448134788 NMRVMEBVPPBGQK-GOSISDBHSA-N 313.466 4.703 30 20 DJED C=C[C@@H]1CCCCN1C(=O)CCC[C@H](C)c1cccc(OC)c1 468821752 DSCNBHJGDAOPDA-FUHWJXTLSA-N 315.457 4.536 30 20 DJED C=CCCCCCN(C)C(=O)c1ccc(C(F)(F)F)c(F)c1 473844238 QRBWWXCHIGQHMQ-UHFFFAOYSA-N 317.326 4.663 30 20 DJED C=C(C)CN(C)C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 474160718 SBEKWWRQYQZDQH-UHFFFAOYSA-N 323.314 4.614 30 20 DJED N#Cc1cc(F)ccc1CSc1cccc(Br)c1 483244940 VVENURVVDGLJJS-UHFFFAOYSA-N 322.202 4.752 30 20 DJED C=CCN(Cc1nc2ccccc2nc1C)CC1CCCCC1 485016239 JTSINHJCOOQFNV-UHFFFAOYSA-N 309.457 4.507 30 20 DJED C=CCC[C@H](C(=O)N[C@@H]1CCCc2occc21)c1ccccc1 488352999 IZBFTMNXWZEIFR-FUHWJXTLSA-N 309.409 4.523 30 20 DJED C=CCOc1cccc(NC(=O)[C@H](C)c2ccc(Cl)s2)c1 495244802 XMBVZNQJTHRRST-LLVKDONJSA-N 321.829 4.709 30 20 DJED C[C@@H](Sc1ccc(C#N)cn1)C(=O)c1ccc(C(C)(C)C)cc1 495266454 GHADNOLZCPYKSX-CYBMUJFWSA-N 324.449 4.614 30 20 DJED C=C(C)CN(C)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 497503894 MGJSAFXYPLZCNF-INIZCTEOSA-N 306.425 4.521 30 20 DJED C=CCCCCCN(C)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 524800863 KIKWDVBIHZYNFI-RTBURBONSA-N 314.473 4.711 30 20 DJED CC(C)(C#N)c1ccccc1CN[C@@H](c1cccs1)C1CC1 537161670 SVBCHILWALMABB-GOSISDBHSA-N 310.466 4.790 30 20 DJED C=CCSc1ccccc1C(=O)N[C@@H]1CCc2c(C)cccc21 547620534 DEQQXBICQNCPBG-GOSISDBHSA-N 323.461 4.690 30 20 DJED C=CCC(F)(F)c1nc(-c2ccc3cc(OC)ccc3c2)no1 551341912 XYBAUJJBTCBFBA-UHFFFAOYSA-N 316.307 4.566 30 20 DJED C=CCC[C@@H](NCCc1ccc(F)c(F)c1F)c1ccco1 552068384 UWWWFYIJGHYGPP-CQSZACIVSA-N 309.331 4.537 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1ccc2nc(C(F)F)sc2c1 553655348 OCFNCJPDSODFEL-OAHLLOKOSA-N 310.369 4.775 30 20 DJED Cc1cc(NC(=O)c2ccc(C#N)c(Cl)c2)c(Cl)cc1F 581908112 UJFRUBCTPNYUOF-UHFFFAOYSA-N 323.154 4.565 30 20 DJED N#C[C@H](C(=O)c1ccc(C(F)F)cc1)c1ccc2ccccc2n1 588348270 HCURFYNSVNSELR-HNNXBMFYSA-N 322.314 4.662 30 20 DJED Cc1ccc(C#N)cc1NC(=O)C1(c2ccccc2C)CCCC1 589616001 IFJSLILZYXMRQD-UHFFFAOYSA-N 318.420 4.626 30 20 DJED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CC(C)C 603532907 FKDCXNVBLGUAIA-UHFFFAOYSA-N 324.399 4.585 30 20 DJED CCOc1ccc2nc(S[C@@H](C#N)C3CCCCC3)[nH]c2c1 609648526 DWMHYDZIZFAUMZ-INIZCTEOSA-N 315.442 4.526 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)c1oc2ccccc2c1C 615971751 MTPATBAXDJFEBT-UHFFFAOYSA-N 323.367 4.709 30 20 DJED C=C[C@H](C)NC(=O)c1cc(Cl)ccc1SC1CCCC1 680394589 BYYQCRSRMSBVDU-NSHDSACASA-N 309.862 4.679 30 20 DJED C#Cc1cccc(NC(=S)Nc2ccc(O[C@H](C)CC)cc2)c1 726476370 WMGDFQWOCDGZSJ-CQSZACIVSA-N 324.449 4.654 30 20 DJED FC(F)(F)CC(=NNc1ccc(Cl)nc1)c1ccccc1 743450724 ZDKZUFJPYWNDBK-UHFFFAOYSA-N 313.710 4.504 30 20 DJED Cc1cc(C=NOCc2cccnc2)c(C)n1C1CCCCC1 746588693 REUKVAWNNXLVRT-UHFFFAOYSA-N 311.429 4.556 30 20 DJED COc1ccc(/C=C\C(=O)c2coc(C(C)C)n2)c2ccccc12 752887447 KNALKXRPLMLFFY-NTMALXAHSA-N 321.376 4.856 30 20 DJED C[C@@H](NN=Cc1ccc(Sc2ccccn2)o1)c1ccccc1 766450431 MYYKBGRGUHNMIJ-CQSZACIVSA-N 323.421 4.511 30 20 DJED CC(C)(C#N)CCOC(=O)Cc1coc2ccc3ccccc3c12 776361739 IAGFVGSZUGWEPK-UHFFFAOYSA-N 321.376 4.612 30 20 DJED CCC1(C=NNCc2ccc(-c3ccccc3)cc2)CCOCC1 781128204 VBKCLGDEFSHFBH-UHFFFAOYSA-N 322.452 4.636 30 20 DJED Cc1ccc(-c2nc(/C=C/C(=O)c3ccnc(Cl)c3)co2)cc1 782183875 FYRPWGJGQBKZMN-VOTSOKGWSA-N 324.767 4.595 30 20 DJED Clc1cccc(CNN=Cc2ccsc2Cl)c1Cl 790180441 FTNCNMHGLAWAOL-UHFFFAOYSA-N 319.644 4.832 30 20 DJED CC(C)(CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)C1CCCCC1 796620999 YCKNUPIQTCMMOD-OAHLLOKOSA-N 323.440 4.736 30 20 DJED C=CCC(C)(C)C(=O)Nc1ccc(N2CCCCCC2)cc1 814254866 LYBQAGVSSOCDLF-UHFFFAOYSA-N 300.446 4.608 30 20 DJED COc1c(Cl)cc(NC2CCC(C)(C#N)CC2)cc1Cl 823543724 GJPWKLAWQLJEAT-UHFFFAOYSA-N 313.228 4.886 30 20 DJED CSCc1cnc(/C=C\C(=O)c2ccc(C)c(C)c2)s1 834399167 ZKSUWVSCSLEWLZ-SREVYHEPSA-N 303.452 4.519 30 20 DJED FC(F)C1CC(=NNc2ccccc2Cc2ccccc2)C1 844617444 VZCBRPWLKMZNGW-UHFFFAOYSA-N 300.352 4.720 30 20 DJED Cc1ccc(CNc2ccc(C(F)(F)F)c(C#N)c2)cc1F 864000712 YVGIFTAKDCLJBI-UHFFFAOYSA-N 308.278 4.637 30 20 DJED C=CCc1ccc(OC(=O)[C@@H](CC)c2ccccc2)c(OC)c1 875122159 JKPXZCXHKLJBFL-KRWDZBQOSA-N 310.393 4.523 30 20 DJED COc1ccc(/C=C2/Cc3ccccc3C2=O)c2ccccc12 915981829 ZDEYBUAVFZDEHS-SSZFMOIBSA-N 300.357 4.671 30 20 DJED C(CCc1ccccc1)=NNc1nc(-c2ccccc2)cs1 916545266 DMDYPNRQPITVGD-UHFFFAOYSA-N 307.422 4.841 30 20 DJED C=C(C)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 916586741 AIKLZCODHNCSPK-XNTDXEJSSA-N 302.370 4.547 30 20 DJED CC1(C)/C(=C\c2cn3cc(Cl)ccc3n2)C(=O)c2ccccc21 920753295 VELYCAUXYSRASE-SXGWCWSVSA-N 322.795 4.545 30 20 DJED Cc1c(C)c(C)c(CN[C@H](C)c2cccc(C#N)c2)c(C)c1C 1176052150 MIZFBOYAJMMKCJ-GOSISDBHSA-N 306.453 4.951 30 20 DJED C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(C#N)cc1Cl 1198020834 WPAVPVPXOCCLGO-FOIQADDNSA-N 324.855 4.980 30 20 DJED Cc1cc(CN2CCC[C@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)ccc1C#N 1204907275 DVPNFGZHBXUZHX-GIUOSPMZSA-N 308.469 4.657 30 20 DJED CCC1CCC(N(C(=O)Nc2sccc2C#N)C2CC2)CC1 1207286208 JVKFJWSLUSEWTK-UHFFFAOYSA-N 317.458 4.585 30 20 DJED N#Cc1cccc(-c2nnc(-c3cc(Cl)cc(Cl)c3)o2)c1 1322343411 SVFQBGSLHJKBEB-UHFFFAOYSA-N 316.147 4.582 30 20 DJED Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@H](CCC#N)c1ccccc1 1337800507 NLBMKPHEGUERQU-KBAYOESNSA-N 320.436 4.884 30 20 DJED Cc1c(Cl)cnc(N[C@@H]2CCC[C@H]2CCC(C)C)c1C#N 1472683323 AJPLSPCOJIZCEA-XJKSGUPXSA-N 305.853 4.932 30 20 DJED C[C@@H](NCCc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 1473445176 BKIUUVZDUNXANT-GFCCVEGCSA-N 319.235 4.758 30 20 DJED CC(C)[C@H](Cc1ccccc1)C(=O)O[C@H](C)c1ccc(C#N)cc1 1524301270 GMKIZSHBQCWTBI-UZLBHIALSA-N 321.420 4.677 30 20 DJED CC(C)CN(C(=O)C1CCC(C)(C)CC1)c1ccc(C#N)cc1 1532927261 BTSLLLKUEBVHOJ-UHFFFAOYSA-N 312.457 4.764 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2c(Cl)cc(F)cc2Cl)c1 1584930900 ZCFUYWJRSSBHHK-UHFFFAOYSA-N 323.154 4.565 30 20 DJED Cc1ccc(C#N)c(NCC(c2ccccc2)c2ccccc2)n1 1639167514 PEIFQENZGWZDGX-UHFFFAOYSA-N 313.404 4.506 30 20 DJED Cc1nc(NC[C@@H](C)Sc2ccccc2)c(Cl)cc1C#N 1639551703 UMUSXMRFNCYSKT-LLVKDONJSA-N 317.845 4.508 30 20 DJED C[C@H](NCCc1ccc(C#N)cc1)c1cc2ccccc2s1 1642738084 NBUPKELCNJAQLY-AWEZNQCLSA-N 306.434 4.666 30 20 DJED CN(Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H]1CC1(C)C 1647873256 NBSCGERXDFZBPM-IBGZPJMESA-N 304.437 4.703 30 20 DJED N#Cc1nnc2ccccc2c1Nc1cccc(-c2ccccc2)c1 1651827019 LLYYRILMRALDQW-UHFFFAOYSA-N 322.371 4.912 30 20 DJED N#Cc1ccc(OCc2csc(C3CCCC3)n2)cc1Cl 1652785242 GLKHDWJISAWRLT-UHFFFAOYSA-N 318.829 4.905 30 20 DJED N#C[C@@H](c1ccccc1)N1CCC(c2cc3ccccc3[nH]2)CC1 1653265352 ZZVPSHZTHKZZHT-NRFANRHFSA-N 315.420 4.612 30 20 DJED C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)Cc2ccccc21 1660050041 NTGTUHSVAQNTQH-MRXNPFEDSA-N 304.437 4.607 30 20 DJED CC(C)CCOc1ccccc1NCc1ccc(C#N)cc1F 1665102589 SLWNZMGGQAPMLV-UHFFFAOYSA-N 312.388 4.734 30 20 DJED CC[C@H](C)c1ccc(C(=O)/C=C/c2ccc(/C=C/C(=O)O)o2)cc1 1776697309 GLXKOYQQLZQRIM-GCTZPAQJSA-N 324.376 4.787 30 20 DJED O=C1/C(=C/c2ccc(N3CCCCC3)cc2)CCc2ccccc21 6339741 WYNRNCTZBILFNL-KNTRCKAVSA-N 317.432 4.889 30 20 DJED O=C(/C=C\c1cccc(O)c1)c1ccc(-c2ccccc2)cc1 35301475 HLYAAUDVFXWWHF-ZROIWOOFSA-N 300.357 4.955 30 20 DJED CCc1cc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)sc1C 80449352 NZJOQSFJIJKYMD-GFCCVEGCSA-N 318.467 4.689 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCC#Cc1ccc(F)cc1 135576041 QQTBQMDOUUVAQH-OAHLLOKOSA-N 324.424 4.684 30 20 DJED N#CCC[C@H](Nc1ccnc(-c2ccccc2)n1)c1ccccc1 164288631 KRXBVKLLIPICOR-SFHVURJKSA-N 314.392 4.601 30 20 DJED C[C@@H]1C[C@@H]1[C@@H](NCc1ccc(C#N)s1)c1ccc(Cl)cc1 247335943 NFCAKUBDMMUVLM-NVGVWMPQSA-N 316.857 4.760 30 20 DJED CC(=NNc1nc2ccccc2[nH]1)c1cccc2ccccc12 254391982 IFBXHQHAESOFFG-UHFFFAOYSA-N 300.365 4.552 30 20 DJED COc1cccc2cc([C@H](C)N[C@@H](C)c3ccc(C#N)cc3)oc12 266457705 LFNJZCXPYLBAJU-KBPBESRZSA-N 320.392 4.725 30 20 DJED C=CCN(CC1CCCCC1)C(=O)CCCc1cccs1 303437352 GOTINPNSBOONGN-UHFFFAOYSA-N 305.487 4.666 30 20 DJED Cc1cccc([C@@H](/N=C(/O)c2nc(C)oc2C)C(C)(C)C)c1 330511346 RKRUIJNHHLHSDS-MRXNPFEDSA-N 300.402 4.692 30 20 DJED COc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c(Cl)c1 424266632 LEEOKWBKCAETQX-STQMWFEESA-N 314.816 4.632 30 20 DJED CN(CC(C)(C)C#N)c1ccc2c(Cl)ccc(Cl)c2n1 432140333 VREATTCRVKFYLL-UHFFFAOYSA-N 308.212 4.528 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1sc2ccc(F)cc2c1C 432327396 SMFYPDNNRDOCGV-UHFFFAOYSA-N 324.380 4.781 30 20 DJED N#C[C@H]1CC[C@@H](Nc2ccc(COCc3ccccc3)cc2)C1 442852784 ILNIKPNQEPRDPQ-AZUAARDMSA-N 306.409 4.508 30 20 DJED C=C(C)[C@@H](NCc1ccc(C)c(OC)c1)c1ccc(F)c(F)c1 446793699 GWLCHFRQPWYJQZ-LJQANCHMSA-N 317.379 4.689 30 20 DJED Cc1ccc([C@H](NCc2ccc(C#N)c(F)c2)C2CCCC2)o1 453387940 QEQVRFYQVKSPJA-LJQANCHMSA-N 312.388 4.620 30 20 DJED C=C(C)C[C@@H](C)C(=O)N1CC=C(c2c[nH]c3cc(C)ccc23)CC1 466838469 PROAUTMBRJMUQT-MRXNPFEDSA-N 322.452 4.694 30 20 DJED C=C(C)[C@H](NC[C@H](C)CC1CCOCC1)c1ccc(F)c(F)c1 479417806 GFODBTOPUOSACV-KUHUBIRLSA-N 323.427 4.624 30 20 DJED C=CCN(Cc1ccccc1)C(=O)[C@@H](C)c1cc2ccccc2o1 482095190 BPPFAHWSJOKVPM-INIZCTEOSA-N 319.404 4.751 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1ccc(OC(C)C)cc1Cl 488699493 HGNYSQIUVMTWDT-ZDUSSCGKSA-N 322.836 4.700 30 20 DJED C=CC[C@H](C(=O)Nc1cccc(COC(C)C)c1)c1ccccc1 488709561 KMDZFDAUSGHNQH-FQEVSTJZSA-N 323.436 4.910 30 20 DJED Cc1cc(CN[C@H](C)c2cc3cccc(F)c3o2)ccc1C#N 488972149 TUJREJFHVFNEEM-CYBMUJFWSA-N 308.356 4.603 30 20 DJED C=C(C)CCN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 508992019 UBGZMEALHZWIPE-SFHVURJKSA-N 300.833 4.575 30 20 DJED C=C(C)CCN1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 509366708 PRUNKVZLLLAJIQ-KRWDZBQOSA-N 311.473 4.763 30 20 DJED Cc1cc(C)c(C#N)c(NCCCCCOC2CCCCC2)n1 518391596 GNNNWNNUWSELSD-UHFFFAOYSA-N 315.461 4.502 30 20 DJED CC(C)(CCC#N)CN[C@@H]1CCc2c1ccc(Cl)c2Cl 588231663 XSAOTDDQBMYCMK-CQSZACIVSA-N 311.256 4.900 30 20 DJED CC(C)[C@@H](NC(=O)CCCCCC#N)c1ccccc1Cl 588460383 FSPRHNNFYRXZLB-QGZVFWFLSA-N 306.837 4.627 30 20 DJED Cc1cc(Oc2ccccc2)ccc1NC(=O)C1(C#N)CC(C)C1 610712987 JOFCZCUCRVPXFT-UHFFFAOYSA-N 320.392 4.666 30 20 DJED N#C[C@@H]1CCC[C@H](Nc2ccc(F)cc2OC2CCCC2)C1 613252175 ATRGRCANLCBTJX-HIFRSBDPSA-N 302.393 4.641 30 20 DJED C=CCC(CC=C)C(=O)Nc1cccnc1Oc1ccccc1 675150517 OIDWKCHSJXBSJF-UHFFFAOYSA-N 308.381 4.581 30 20 DJED C=C(CN[C@@H](c1ccc(F)cc1)c1cccnc1)c1ccccc1 680338718 GTZBXJQJUDEVNT-NRFANRHFSA-N 318.395 4.613 30 20 DJED COc1cccc(NN=C(C)c2ccc(N3CCCCC3)cc2)c1 725852587 BESNFGJRIWRBNS-UHFFFAOYSA-N 323.440 4.522 30 20 DJED N#Cc1ccc(-c2ccc(OCc3cccnc3Cl)cc2)cc1 727054428 RRRBWPKHWAIPIG-UHFFFAOYSA-N 320.779 4.853 30 20 DJED CCc1ccc(C=NOCc2ccc(Br)s2)cc1 742575222 CLCDARGKGLFWAM-UHFFFAOYSA-N 324.243 4.624 30 20 DJED C#Cc1cccc(NC(=O)N2CCCC[C@H]2c2ccc(C)cc2)c1 743084842 CYINKCSVAUIBAU-FQEVSTJZSA-N 318.420 4.735 30 20 DJED CC(=NNc1cc(F)cc(F)c1)c1ccc(-c2ccncc2)cc1 745196255 KGZZDEBIOJNSLX-UHFFFAOYSA-N 323.346 4.863 30 20 DJED Fc1ccc(C=NOCc2ccc(C(F)(F)F)cc2)c(F)c1 746577280 PNVQJAXKNHGHOJ-UHFFFAOYSA-N 315.241 4.534 30 20 DJED Cc1cccc(NC(=S)N(c2cccc(C#N)c2)C(C)C)c1C 749766040 AAERRDBOVAZDID-UHFFFAOYSA-N 323.465 4.787 30 20 DJED CCOc1ccc(C=Nc2cc(-c3ncco3)ccc2C)c(O)c1 759035840 LRLZVYWFSOBKQB-UHFFFAOYSA-N 322.364 4.505 30 20 DJED CC(C)C[C@@H](C#N)NC(=O)c1c2ccccc2cc2ccccc12 768143698 MIADOYOQXWHAKJ-KRWDZBQOSA-N 316.404 4.661 30 20 DJED C[C@@H](C#N)Oc1ccc(CN2CC(C)(C)[C@@H]2c2ccccc2)cc1 769087211 ONJAFQGOCPVZFV-JXFKEZNVSA-N 320.436 4.561 30 20 DJED Cc1ccc(CCC=NNc2c(Cl)cccc2Cl)cn1 774391348 ROWALSLRVLFQCL-UHFFFAOYSA-N 308.212 4.727 30 20 DJED CCc1c(C(=O)/C=C\c2ccc(F)nc2)oc2ccc(C)cc12 777465524 CNVQZISCZJXNJK-ALCCZGGFSA-N 309.340 4.734 30 20 DJED C#CCCCCCC(=O)O[C@H](C)c1ncc(-c2ccccc2)o1 780258774 ONGWYSISSYPJAC-OAHLLOKOSA-N 311.381 4.530 30 20 DJED CC(/C=C\C(=O)c1ccccc1F)=C\c1cccc([N+](=O)[O-])c1 787169184 NQLBLRWIQOPDSO-AZQRDTPRSA-N 311.312 4.576 30 20 DJED CCCCCCC[C@H](C)Nc1ccc2c(c1)N(C(N)=O)CCC2 787316002 LWXVDPNIRQLGLA-HNNXBMFYSA-N 317.477 4.679 30 20 DJED CSc1ccc(/C=C\C(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 798231424 HMUADMJHKYBFBT-ALCCZGGFSA-N 319.407 4.583 30 20 DJED CCN(C(=O)c1ccc(C)c(C#N)c1)c1cccc2ccccc12 799306917 ARKXTOGQUOEXJO-UHFFFAOYSA-N 314.388 4.687 30 20 DJED CSC(C)(C)CC=NNc1ccc(C#N)c(C(F)(F)F)c1 814829056 YGISWPBOELOIQF-UHFFFAOYSA-N 315.364 4.506 30 20 DJED CC(C)N(Cc1ccc(OCC#N)cc1)[C@@H](C)c1ccsc1 817288003 SARJFHNIFFNNTM-HNNXBMFYSA-N 314.454 4.622 30 20 DJED COc1cccc(NN=C(C)c2ccccc2C(F)(F)F)c1 912806680 XTBUVIMTQLHZGV-UHFFFAOYSA-N 308.303 4.550 30 20 DJED CCOc1cc(/C=C\C(=O)c2ccc3c(c2)CCCC3)ccc1O 916134135 DRFWFOWTNKZWSQ-XFFZJAGNSA-N 322.404 4.566 30 20 DJED CC[C@@H](NCc1cc2cccc(OC)c2o1)c1ccc(C#N)cc1 1116810098 IBXAVLPTBIZSBO-GOSISDBHSA-N 320.392 4.554 30 20 DJED CC[C@@H](C)c1ccc(C(=O)Nc2ccc(C#N)cc2C(C)=O)cc1 1129071038 IDZKKBMRANQYEF-CYBMUJFWSA-N 320.392 4.527 30 20 DJED CC(C)(C)[C@H]1CCC[C@H](NCc2cccc(F)c2C#N)CC1 1180934677 IKJCNHWBYAJJNE-HOTGVXAUSA-N 302.437 4.782 30 20 DJED CC[C@@H](Cc1ccc(Cl)cc1Cl)N[C@@H]1CC[C@H](C#N)C1 1182499946 RKHIBOGBCYEGGW-TUKIKUTGSA-N 311.256 4.596 30 20 DJED Cc1cc(C#N)ccc1CN1C[C@H](C)C[C@@H]1c1cccc(F)c1 1191244875 OHZLIFCLYCHNHJ-JLTOFOAXSA-N 308.400 4.589 30 20 DJED CCN(Cc1c(F)cc(C)cc1F)[C@H](C)c1ccc(C#N)cc1 1204762531 DYRIVDNYPKBHGP-CQSZACIVSA-N 314.379 4.728 30 20 DJED C[C@@H](CC(C)(C)C)NC(=O)c1ccccc1-c1ccccc1C#N 1275117119 VTTZQDMDUAVPAN-HNNXBMFYSA-N 320.436 4.780 30 20 DJED C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1CC1(CC#N)CC1 1307611189 PTKJGIODDSVKSD-LLVKDONJSA-N 309.240 4.606 30 20 DJED N#Cc1cc(NC(=O)CC(C2CCC2)C2CCC2)ccc1Cl 1354056948 ADPAGXRWVXQEBM-UHFFFAOYSA-N 316.832 4.757 30 20 DJED CCc1ccc(CC)c(C(=O)CSc2cccc(C#N)c2)c1 1458979594 MVTFSPWMQSWKOL-UHFFFAOYSA-N 309.434 4.658 30 20 DJED Cc1ccc(C#N)cc1C(=O)N[C@H](c1ccccc1)C1CCCC1 1519632388 ITVWWGSEKJMLAH-HXUWFJFHSA-N 318.420 4.528 30 20 DJED CCC[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1524133443 HCBPNYGBJNUPNA-AWEZNQCLSA-N 308.381 4.725 30 20 DJED CC[C@H](OC(=O)c1sccc1C#N)c1cccc(Cl)c1 1536177550 PYSUQXFHYCBETD-ZDUSSCGKSA-N 305.786 4.581 30 20 DJED CC[C@@H](C#N)N(CC)C(=O)[C@H](CC(C)C)c1ccc(Cl)cc1 1538757695 SVEKDBUZRUZAGL-DLBZAZTESA-N 320.864 4.620 30 20 DJED COc1ccc2cc(CNc3cccc(C#N)c3C)ccc2c1 1560490215 OYFXDYWQJRKWHU-UHFFFAOYSA-N 302.377 4.641 30 20 DJED Cc1ccnc(N[C@@H]2C[C@@H](C)C[C@@H](c3ccccc3)C2)c1C#N 1612484566 VZLFVUNCHIIGMX-BMGDILEWSA-N 305.425 4.646 30 20 DJED CC(C)Oc1ccccc1CN(Cc1ccc(C#N)cc1)C1CC1 1645015563 IMYVAZUKWJDVLG-UHFFFAOYSA-N 320.436 4.510 30 20 DJED CCCCc1ccc([C@@H](Nc2cc(C#N)nc(C)n2)C(C)C)cc1 1649432494 UCDRHBNIIXSRRN-FQEVSTJZSA-N 322.456 4.809 30 20 DJED Cc1nc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)ccc1C#N 1650752497 DHIAJVKOKBHRFS-XNAIMREJSA-N 311.816 4.724 30 20 DJED Cc1ccc([C@@H]2[C@H](C)CCCN2Cc2ccc(F)c(C#N)c2)cc1 1653437660 BQMXLTGANOIKMO-IERDGZPVSA-N 322.427 4.979 30 20 DJED N#CC1(CCN(Cc2ccccc2)CC(F)F)CCCCC1 1653522183 AUUOHEUYPWZKSQ-UHFFFAOYSA-N 306.400 4.618 30 20 DJED N#Cc1ccc(CN(C/C=C/c2ccc(F)c(F)c2)C2CC2)cc1 1657529602 NRLXBEAYIGHPDQ-OWOJBTEDSA-N 324.374 4.514 30 20 DJED C=C(Br)CN[C@H](c1ccc(F)cc1)C1CCCC1 1658067176 YSGQDORJZARIBS-HNNXBMFYSA-N 312.226 4.555 30 20 DJED CC1(C)CC(CNCc2ccc(C#N)c(F)c2)CC(C)(C)C1 1658522767 YYUQQZCVHPRDOJ-UHFFFAOYSA-N 302.437 4.639 30 20 DJED CC[C@@H](CC#N)NCc1c(Cl)cccc1Oc1ccccc1 1658745240 YSJOXGAZXDKDHE-AWEZNQCLSA-N 314.816 4.914 30 20 DJED C[C@@H](CCc1c[nH]c2ccccc12)N[C@@H](C)c1cccc(C#N)c1 1665650482 DXBYZWBMGNICNE-HOTGVXAUSA-N 317.436 4.711 30 20 DJED CCCc1ccc(C(=O)/C=C\c2ccc(/C=C\C(=O)O)cc2)cc1 1776112981 RSRQOMCQWSAOMH-HYQBVQLESA-N 320.388 4.633 30 20 DJED C=CCOc1ccc(CN[C@H](C)c2cc(C)sc2C)cc1 35252874 ZSHKFSGEEGXAKQ-CQSZACIVSA-N 301.455 4.781 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(C)c1 60451312 UEHFOLARTYSKBX-UHFFFAOYSA-N 305.830 4.538 30 20 DJED N#CCC[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccccc1 163554081 GVQRLLIWLPHCQL-INIZCTEOSA-N 313.788 4.507 30 20 DJED COc1ccc([C@H](N[C@H](C)c2ccc(C#N)cc2)C(C)C)cc1 181420092 HCQGMWBXRSMEDE-FOIQADDNSA-N 308.425 4.615 30 20 DJED C[C@H](NCc1ccccc1OC1CCCC1)c1cccc(C#N)c1 181533571 RALJXAMQQWMEMK-INIZCTEOSA-N 320.436 4.730 30 20 DJED CC#CCCCC(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 186088414 CQRZXHFZINXLJD-QGZVFWFLSA-N 320.436 4.992 30 20 DJED C[C@H](NCc1ccc(Cl)cc1C#N)c1cc2ccccc2o1 187494597 DUMGRWNANVRWSP-LBPRGKRZSA-N 310.784 4.809 30 20 DJED C=CC[C@H](C(=O)Nc1cc(C)c(O)c(C)c1C)c1ccccc1 188274850 YHUAZJOJOLOJCV-KRWDZBQOSA-N 309.409 4.616 30 20 DJED CCOc1cccc2cc(C(=O)/C=C\c3ccc(C#N)cc3)oc12 211263927 WIKVIXZAACHEMP-KHPPLWFESA-N 317.344 4.599 30 20 DJED COc1ccccc1-c1ccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1 274629033 OMLMQHMZOWETFJ-FCEWJHQRSA-N 320.436 4.705 30 20 DJED CC[C@H](N[C@@H]1CCSc2ccccc21)c1ccc(C#N)cc1 278255863 MZXPFPRIMGNNGF-ZWKOTPCHSA-N 308.450 4.836 30 20 DJED C[C@@H](Nc1c(F)cc(C#N)cc1F)c1nc(C(C)(C)C)cs1 301209648 VTDNIJCBUIYUOU-SECBINFHSA-N 321.396 4.764 30 20 DJED N#Cc1ccc2nc(N3CCC[C@H]3c3cccc(F)c3)ccc2c1 301974169 BKGMZYOVPAONQQ-IBGZPJMESA-N 317.367 4.587 30 20 DJED CCc1ccc(/C=C/C(=O)c2c(Cl)nc3sccn23)cc1 303947222 UTBIEGPKNSDOOA-BQYQJAHWSA-N 316.813 4.508 30 20 DJED CC(C)CCc1noc(-c2cn(CCCC#N)c3ccccc23)n1 345930240 PCUYTZHLQXVKTJ-UHFFFAOYSA-N 322.412 4.584 30 20 DJED N#Cc1cccc(CNc2ccc3nc(C4CC4)sc3c2)c1 347773249 HBPFKWBTWCYYIK-UHFFFAOYSA-N 305.406 4.657 30 20 DJED CCc1cccc(C)c1NC(=O)C[C@H](CC#N)c1ccccc1 354785175 MCFGJYSAXJPXNY-SFHVURJKSA-N 306.409 4.584 30 20 DJED Cc1cc(F)ccc1NC(=O)c1sc2ccc(C#N)cc2c1C 429920403 GEQHBKRYSIUZEY-UHFFFAOYSA-N 324.380 4.781 30 20 DJED N#C[C@@H]1CCC[C@@H](NC2CCC(c3ccc(F)cc3)CC2)C1 446758134 GDSGPJFXGIVWEC-WLHONDITSA-N 300.421 4.524 30 20 DJED CCN(C(=O)C1=CCC(C)(C)CC1)[C@@H](C)c1ccc(C#N)cc1 454981144 SBJFXIPOEXNNDA-HNNXBMFYSA-N 310.441 4.604 30 20 DJED CCc1ccsc1C(=O)N(CC)c1ccc(C#N)c(Cl)c1 464198344 NGLNFQQRSKVEDE-UHFFFAOYSA-N 318.829 4.502 30 20 DJED N#CCSCCCN(Cc1ccc(F)cc1)C1CCCCC1 466734028 AULPHLWTQYQMNB-UHFFFAOYSA-N 320.477 4.607 30 20 DJED C=C[C@@H]1CCCCN1C(=O)CCC[C@@H](C)c1cccc(OC)c1 468821770 DSCNBHJGDAOPDA-SJLPKXTDSA-N 315.457 4.536 30 20 DJED C[C@H](Sc1ccc(C#N)cc1F)c1ncc(C(C)(C)C)o1 476512045 FRAQDFRKFUBYTB-JTQLQIEISA-N 304.390 4.836 30 20 DJED Cc1ccccc1[C@H](NCc1ccc(C#N)c(F)c1)C(C)(C)C 484059338 PPOZYACNMMCNOR-IBGZPJMESA-N 310.416 4.883 30 20 DJED C[C@H](SCCOc1ccc(C#N)cc1)c1ccc(F)c(F)c1 498103708 MPDDCDOUEMCPTQ-LBPRGKRZSA-N 319.376 4.710 30 20 DJED C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)c1cccnc1 543862490 VPMFYBDUNACVEG-JTQLQIEISA-N 308.328 4.825 30 20 DJED CCCn1ncc(N[C@H]2CCCc3cc(C#N)ccc32)c1C1CC1 590779165 XVQBSMZBIWPORO-SFHVURJKSA-N 320.440 4.532 30 20 DJED CC(C)N(C(=O)CC1(C#N)CCCCC1)[C@H](C)c1ccsc1 598840223 BXVPKBDOUMACJI-OAHLLOKOSA-N 318.486 4.910 30 20 DJED Cc1cc(C#N)ccc1CN(Cc1ccccc1)Cc1ccco1 614396055 SKXVNYZVIQJHIY-UHFFFAOYSA-N 316.404 4.662 30 20 DJED C#Cc1cccc(NC(=S)N(CC)c2cc(C)ccc2C)c1 726471163 HAVVAQSDNHICMU-UHFFFAOYSA-N 308.450 4.508 30 20 DJED C#Cc1cccc(N(C(=O)c2ccc(CSC)cc2)C(C)C)c1 728248304 QFPZDLVQLOOMKM-UHFFFAOYSA-N 323.461 4.586 30 20 DJED N#C[C@H](C(=O)CC1CCCCC1)c1nc2cc(F)ccc2s1 730416940 JXXIIGGYQSQOGD-CYBMUJFWSA-N 316.401 4.582 30 20 DJED Fc1ccc(CON=Cc2ccccc2C(F)(F)F)cc1F 735488122 DSXSWSJPQFGMRJ-UHFFFAOYSA-N 315.241 4.534 30 20 DJED COc1ccc(C(=O)/C=C/c2cc3cc(F)ccc3o2)cc1F 741849324 VZMATEJGYVBUQR-SNAWJCMRSA-N 314.287 4.616 30 20 DJED C#Cc1cccc(NC(=O)N(CCCC)[C@H](C)c2ccc(C)o2)c1 746657933 BFKQDCZPCAAONT-MRXNPFEDSA-N 324.424 4.965 30 20 DJED CCc1cccc(NC(=S)N[C@@H](CCC#N)c2ccccc2)c1 747710029 RQLJUCIBEQKYMC-SFHVURJKSA-N 323.465 4.580 30 20 DJED C=C(C)[C@@H](CC(=O)Nc1ccc(Nc2ccccc2)cc1)OCC 755449494 GIODWRRJLPMQFH-LJQANCHMSA-N 324.424 4.740 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)s2)cc1 761473961 JYYFTYYZYBSGHR-FNORWQNLSA-N 307.296 4.535 30 20 DJED COC[C@@H](/N=C\c1cc(Cl)ccc1O)c1ccc(Cl)cc1 775234412 RCSFAMZAIAEONL-HBFFOVPNSA-N 324.207 4.506 30 20 DJED O=C(/C=C/c1ccccc1Br)c1cccc(F)c1F 776268452 OTMRYTPEXYTFAJ-CMDGGOBGSA-N 323.136 4.623 30 20 DJED CC[C@H](C)CC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 791773374 JJBCFRYQVTZCLU-WFASDCNBSA-N 312.438 4.731 30 20 DJED O=C(/C=C\c1c(F)cccc1Br)c1cccs1 794928554 YARVJSLHDSSJBK-SREVYHEPSA-N 311.175 4.546 30 20 DJED O=C(/C=C\c1ccc(SC(F)(F)F)cc1)c1ccncc1 796975376 FHSNRIFLIVTIMM-UTCJRWHESA-N 309.312 4.590 30 20 DJED CN(CCC#N)c1ccc(CNc2cccc(C3CCC3)c2)cc1 812774912 AFZUBJJWCBESSV-UHFFFAOYSA-N 319.452 4.916 30 20 DJED CC[C@@H]1CCC[C@@H]1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 835070934 SOXPCTYQMQLORE-VNQPRFMTSA-N 324.449 4.813 30 20 DJED CCCCCCCCC[S@](=O)Cc1ccc(Cl)cn1 841729374 WPHKQTCFWYHCMM-IBGZPJMESA-N 301.883 4.734 30 20 DJED Cc1cc(C#N)ccc1N[C@H](C)c1nc(C(F)(F)F)cs1 846752480 AWPNNZDJIZLFTL-SECBINFHSA-N 311.332 4.515 30 20 DJED Cc1ccc(/C=C2/CCCc3ccccc3C2=O)cc1[N+](=O)[O-] 916135017 YRMCLPABNTXASF-WJDWOHSUSA-N 307.349 4.506 30 20 DJED CCOC(=O)Nc1ccc(N[C@@H](C)CCCC(C)C)cc1C#N 1180793962 MWPGBVRHTYFWEB-AWEZNQCLSA-N 317.433 4.753 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C[C@@H]1C[C@@H]1c1ccccc1 1204803779 QUKZRSGPIJALKF-LEWJYISDSA-N 304.437 4.574 30 20 DJED N#Cc1ccccc1NC(=O)c1cc2cccc(Cl)c2s1 1264115658 BCFFHDCNBFDQJH-UHFFFAOYSA-N 312.781 4.679 30 20 DJED N#Cc1ccc(C(=O)Nc2cccc(C3CCC3)c2)cc1Cl 1274339424 MGKDCQKIWULBIY-UHFFFAOYSA-N 310.784 4.731 30 20 DJED Cc1c(Cl)cnc(N2C[C@@H](C)C[C@@H]2c2ccccc2)c1C#N 1307115745 VKBKSPWPEYUSMZ-YVEFUNNKSA-N 311.816 4.503 30 20 DJED Cc1ccccc1[C@@H]1C[C@H](C)N([C@@H](C)c2cccc(C#N)c2)C1 1307487546 BHPMGEBSYHOIAJ-ABSDTBQOSA-N 304.437 4.806 30 20 DJED CC[C@](C)(C#N)c1nnc(-c2cc3c(s2)CCCCCC3)o1 1330082680 GHUFEOATGWXADY-QGZVFWFLSA-N 315.442 4.648 30 20 DJED N#CCc1cccc(-c2nnc(-c3cccc4ccccc34)o2)c1 1345827830 CXDBERPIHWVJJC-UHFFFAOYSA-N 311.344 4.623 30 20 DJED Cc1ccc(Nc2ncccc2C#N)cc1OCC1CCCCC1 1458200970 VVOVEGGBKSHDFF-UHFFFAOYSA-N 321.424 4.964 30 20 DJED CC(C)CN(CCc1c(F)cccc1F)c1ccc(C#N)cc1 1559621323 RBOYDFWWFRTDEZ-UHFFFAOYSA-N 314.379 4.542 30 20 DJED CN(Cc1ccc(-c2ccccc2C#N)cc1)c1ccsc1 1559954884 HRRHZOBRKXCKBE-UHFFFAOYSA-N 304.418 4.923 30 20 DJED C[C@H]1C[C@@H](C)Cc2c1sc(NC(=O)CC(C)(C)C)c2C#N 1583689276 GLYBSBBTQHPRRQ-MNOVXSKESA-N 304.459 4.680 30 20 DJED Cc1cc(Cl)ccc1C(=O)N(c1ccc(C#N)cc1)C1CCC1 1588016041 HHGBYRCCSDQIOZ-UHFFFAOYSA-N 324.811 4.719 30 20 DJED N#Cc1ccccc1-c1ccc(CN2Cc3ccccc3C2)cc1 1641714036 FFBMTJKNFNDHCA-UHFFFAOYSA-N 310.400 4.741 30 20 DJED Cc1cc(C#N)cc(NCc2cc(C)c(C)cc2OC(F)F)c1 1651211093 VNVVIGPWWNLYDY-UHFFFAOYSA-N 316.351 4.697 30 20 DJED CC1(C)CCC[C@H](Nc2c(Br)cccc2C#N)C1 1655382883 WJUJNBISMFJUKX-LBPRGKRZSA-N 307.235 4.701 30 20 DJED C[C@H]1C[C@@H](N(C)Cc2cccc(C#N)c2)c2ccsc2S1 1657578952 JQFPHURSGPSWPW-BLLLJJGKSA-N 314.479 4.677 30 20 DJED CCc1ccc([C@H](NCCc2ccc(C#N)cc2)C(C)C)cc1 1657703068 QTPDYPQSTDNFPL-OAQYLSRUSA-N 306.453 4.650 30 20 DJED Cc1cc(C)c(NCc2ccc(C#N)cc2)cc1Br 1662263110 YGUMQKQTFHTYSA-UHFFFAOYSA-N 315.214 4.550 30 20 DJED Cc1c(NN=C2CCC3(CCCCC3)CC2)cccc1C(=O)O 1776087596 LAAXARMECJOWLH-UHFFFAOYSA-N 314.429 4.986 30 20 DJED CCN(Cc1cn2ccccc2c1C#N)[C@@H](C)c1ccc(F)cc1 65433144 NYTRVKLDNLZOQQ-HNNXBMFYSA-N 321.399 4.533 30 20 DJED Cc1ccccc1C(=O)Nc1sc(-c2ccccc2)cc1C#N 77687468 ZXVMHVGYXSKXTN-UHFFFAOYSA-N 318.401 4.848 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)[C@H](c2ccccc2)C2CC2)cc1 122485175 LTLOOSLFVNIKFR-LJQANCHMSA-N 318.420 4.620 30 20 DJED C=CCCSCc1csc(-c2ccc(OC)cc2OC)n1 151947132 WGMMGQFHCGHCRN-UHFFFAOYSA-N 321.467 4.637 30 20 DJED CCC[C@@H](C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 174002732 LEPMQYJQJWBWJV-KOLCDFICSA-N 306.818 4.562 30 20 DJED O=C(/C=C\c1cccc(C(F)(F)F)c1)c1ccc(F)cc1F 207085532 MHKRTRGBGZOXNP-DAXSKMNVSA-N 312.237 4.880 30 20 DJED N#Cc1cc(F)ccc1N1CCC[C@H]1c1nc2ccccc2s1 301196753 KLWBUQDPWSQQEC-INIZCTEOSA-N 323.396 4.649 30 20 DJED CC(C)(CC1CCCCCC1)/N=C(/O)[C@H]1CCCc2n[nH]cc21 329943980 DWIKHRIABWDTNM-HNNXBMFYSA-N 317.477 4.925 30 20 DJED CCC[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1 353851548 MEOJGQDKYPDNNR-PMACEKPBSA-N 320.436 4.732 30 20 DJED C=CCCC1(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 437277733 RJBSGENUZMVUDA-DZGCQCFKSA-N 324.251 4.712 30 20 DJED C=C1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 444623811 KQUHYISLYPMXQC-UHFFFAOYSA-N 316.448 4.538 30 20 DJED CCC(C)(C)OCc1ccccc1N[C@@H]1CCC[C@@H](C#N)C1 446757029 PPYGFDOOFQDWRI-NVXWUHKLSA-N 300.446 4.886 30 20 DJED C[C@H](NC1CCC(C)(C#N)CC1)c1ccccc1C(F)(F)F 449098710 QTQNQWPIWYYFMO-FUJMWEONSA-N 310.363 4.828 30 20 DJED CC(C)[C@@H](c1ccccc1)N(C)C(=O)Nc1cccc(CC#N)c1 455915323 HIMPZBRVWLYCBY-IBGZPJMESA-N 321.424 4.614 30 20 DJED N#C[C@@H]1CCC[C@@H](NCC2(c3cccs3)CCCCC2)C1 463238159 ZHAGWZITZCLURU-HZPDHXFCSA-N 302.487 4.622 30 20 DJED CN(Cc1cc2ccccc2o1)Cc1ccccc1C(C)(C)C#N 486791034 JVQFPQMEULSBSR-UHFFFAOYSA-N 318.420 4.866 30 20 DJED C=C(C)CN(Cc1ccccc1)[C@H]1CCOc2ccc(OC)cc21 525638618 UMKYYPZTSCPUNY-FQEVSTJZSA-N 323.436 4.597 30 20 DJED N#CCc1ccc(CN[C@H](c2ccccc2)C2CCCC2)cc1 541281411 BUDWJXRMHBACBS-OAQYLSRUSA-N 304.437 4.774 30 20 DJED Cc1ccc(C(=O)Nc2ccc(C#N)cc2Cl)c(Cl)c1C 542147740 ALHUQJOWKFZSML-UHFFFAOYSA-N 319.191 4.734 30 20 DJED C=C[C@@H](CC(=O)N1CC[C@@H](c2ccccc2F)C1)c1ccccc1 556034973 WQWJYHSOSSUZNS-FUHWJXTLSA-N 323.411 4.502 30 20 DJED C[C@@H](SCCC(C)(C)C#N)c1nc(-c2cccs2)no1 564090436 NGWUWQLSOJJDRJ-SNVBAGLBSA-N 307.444 4.532 30 20 DJED C[C@H](NC(=O)CCCCCC#N)c1ccc(Cl)cc1Cl 588148029 IBCAABRDSGTLOR-NSHDSACASA-N 313.228 4.645 30 20 DJED CCc1c(C)sc(NC(=O)c2cc(C(C)C)oc2C)c1C#N 588913569 YWPLLMQIEZRYHD-UHFFFAOYSA-N 316.426 4.768 30 20 DJED C=C(CNCc1nc(-c2ccccc2)cs1)c1ccccc1 589841562 SIWZECOTMGYKTJ-UHFFFAOYSA-N 306.434 4.613 30 20 DJED Cc1ccc([C@H]2CCCN2C(=O)CC2(C#N)CCCCC2)cc1 596723971 QGCDHELDVFKIJA-GOSISDBHSA-N 310.441 4.523 30 20 DJED CCC(C)(C)OCc1ccccc1NC(=O)C(C#N)(CC)CC 602304921 BIXUIUHLMGEWFX-UHFFFAOYSA-N 316.445 4.660 30 20 DJED CCCOCc1ccccc1CNc1cccc(Cl)c1C#N 603868319 RVSJWSQJMBSZDF-UHFFFAOYSA-N 314.816 4.750 30 20 DJED C=CC[C@H](C)NC(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1 604978315 UFRUCWXGPKNTNU-ZDUSSCGKSA-N 315.363 4.635 30 20 DJED C[C@H](C#N)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 609921143 NUHPSVVNCXFYPL-LLVKDONJSA-N 316.813 4.589 30 20 DJED CCC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 610829702 FUCCEAPRHUNFHW-AUUYWEPGSA-N 323.396 4.658 30 20 DJED C#Cc1cccc(N(Cc2ccco2)C(=O)C2CCCCCC2)c1 728182328 KJGUCHSQVUTBDC-UHFFFAOYSA-N 321.420 4.765 30 20 DJED C#Cc1cccc(N(CC)C(=O)c2cc(Cl)ccc2Cl)c1 728481012 CRWVTZCUSSEFGF-UHFFFAOYSA-N 318.203 4.641 30 20 DJED O=C(/C=C\c1cccc(OC(F)F)c1)c1cc2ccccc2o1 747063339 ICEPDPZKWCFCAB-HJWRWDBZSA-N 314.287 4.930 30 20 DJED CC(C)(C#N)CCCSc1nc2ccc([N+](=O)[O-])cc2s1 747805462 SBKDHKBCHGDQBU-UHFFFAOYSA-N 321.427 4.627 30 20 DJED CCSc1ccc(C(=O)/C=C\c2cccnc2Cl)cc1 755606300 DHZBSHJKZDQBLH-YFHOEESVSA-N 303.814 4.743 30 20 DJED N#Cc1csc(/C=C/C(=O)c2ccc(-c3ccccc3)o2)c1 761803913 HEPOHEGODOMIRS-VOTSOKGWSA-N 305.358 4.776 30 20 DJED CCC[C@H](C=NNc1oc(C(C)C)nc1C#N)c1ccccc1 769574352 LNSWQBAFUQUBQX-OAHLLOKOSA-N 310.401 4.651 30 20 DJED Cc1ccoc1C(=O)/C=C/c1ccc(N(C)c2ccccc2)nc1 797789754 YUISZSFNGDFEMN-CSKARUKUSA-N 318.376 4.647 30 20 DJED CC(C)[C@H](OC(=O)CCCCCC#N)c1ccc(F)c(F)c1 805904946 GWNSFUWYSRTZMA-KRWDZBQOSA-N 309.356 4.679 30 20 DJED C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C#CC(C)(C)C 837333297 QOKLSPKFEKAZLU-NSHDSACASA-N 312.240 4.562 30 20 DJED CC1(C)C[C@H](NN=C2CC[C@@H](c3cccc(Cl)c3)C2)CCO1 841634527 RLWBJJMYLLTMRD-RHSMWYFYSA-N 320.864 4.511 30 20 DJED CC(C)CC(CC(C)C)C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842943112 PXTYRVYNSJRRFW-HNNXBMFYSA-N 318.486 4.905 30 20 DJED N#CCC1(CNc2ccc(OCc3ccccc3F)cc2)CC1 849313828 OPKVOLGGLBYQRT-UHFFFAOYSA-N 310.372 4.510 30 20 DJED CC[C@@H](c1ccccc1)N(CC)C(=O)/C=C/c1ccccc1C#N 914507141 FSFKTPZUBIXTNP-JWHUVLAVSA-N 318.420 4.571 30 20 DJED Cc1ccc(/C=C\C(=O)c2ccc(Br)s2)cc1 916134789 ZEQVSUCQMZKTOJ-SREVYHEPSA-N 307.212 4.715 30 20 DJED CC(=NNc1ccccc1C(F)(F)F)c1nc(C)sc1C 916259884 PKDDVBIJOADNMT-UHFFFAOYSA-N 313.348 4.615 30 20 DJED CCCc1ccc(NCc2ccc(N(C)CCC#N)cc2)cc1 916840443 AKVXYFHEIKMJQH-UHFFFAOYSA-N 307.441 4.601 30 20 DJED C[C@@H](OC(=O)c1ccccc1CC#N)c1ccc2ccccc2c1 919034357 JBPPPABVGCSCJD-OAHLLOKOSA-N 315.372 4.824 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1ccc(C)c(C)c1Cl 1144512118 QCWSCNDERPGKLI-UHFFFAOYSA-N 320.864 4.749 30 20 DJED CC[C@H](OC(=O)c1cc(C#N)cs1)C(C)(C)c1ccccc1 1265322447 GSONPSMYCWCTKD-INIZCTEOSA-N 313.422 4.533 30 20 DJED CC[C@@H](c1ccccc1)N(CCc1ccc(C#N)cc1)C(C)C 1307954854 VPDVJVTXQWYGEV-NRFANRHFSA-N 306.453 4.962 30 20 DJED CCOc1ccc(C#N)cc1NC(=O)Nc1ccc(C(C)C)cc1 1310187700 ZVIAHKZLGRRQST-UHFFFAOYSA-N 323.396 4.724 30 20 DJED CC(C)(CNC(=O)Nc1ccc(C#N)cc1Cl)C1CCCC1 1310422509 AXKRQGDMQLDMOQ-UHFFFAOYSA-N 319.836 4.550 30 20 DJED CC[C@H](C)c1nnc(-c2ccccc2Oc2ccccc2C#N)o1 1341536628 HNHYNJFRMPEMMV-ZDUSSCGKSA-N 319.364 4.914 30 20 DJED C=C(C)CCC(=O)Nc1cccc(NC(=O)OC(C)(C)C)c1C 1347203340 YRDLZNAHLVKBLE-UHFFFAOYSA-N 318.417 4.637 30 20 DJED Cc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc12 1354787905 UYKWPRARYAGKCK-UHFFFAOYSA-N 320.779 4.926 30 20 DJED Cc1ccccc1[C@H](Nc1ccc(C#N)nn1)[C@@H]1CCC[C@@H](C)C1 1458167943 AAGHHZHFZMGRDZ-AKCHCHLHSA-N 320.440 4.636 30 20 DJED Cc1ccccc1CNc1c(C#N)cnc2c(Cl)cccc12 1472639461 YSWAQIVBMIZDIN-UHFFFAOYSA-N 307.784 4.680 30 20 DJED CC(C)CCN(CCC(C)C)C(=O)Nc1cccc(CC#N)c1 1476610340 JPYNFMLWAKIFGE-UHFFFAOYSA-N 315.461 4.679 30 20 DJED CC[C@H](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@H](C)CC2 1524032178 ZVTGMSAOAZUUEE-LOWDOPEQSA-N 318.486 4.926 30 20 DJED CCc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 1527545297 BCYDMMPUWQVIKC-UHFFFAOYSA-N 312.438 4.732 30 20 DJED C[C@@H]1C[C@H](CC(=O)N[C@H]2CCc3cc(C#N)ccc32)CC(C)(C)C1 1586550915 VPSNPWPGGGNTJB-OGWOLHLISA-N 324.468 4.514 30 20 DJED N#Cc1nc(NCc2cc(Cl)cc(Cl)c2)ccc1Cl 1612600870 VYHGIKKWWQARCP-UHFFFAOYSA-N 312.587 4.526 30 20 DJED N#Cc1cccc(C#N)c1Oc1ccc(SC(F)(F)F)cc1 1642670928 WMYKFIKHCGLZRM-UHFFFAOYSA-N 320.295 4.834 30 20 DJED COc1cc(C#N)ccc1CN(C(C)C)[C@@H](C)c1ccsc1 1643471759 PSJVYBGVGCYWQZ-AWEZNQCLSA-N 314.454 4.600 30 20 DJED Cc1cc(C#N)ccc1CN1C[C@H]2CCCC[C@@]21c1ccccc1 1644801754 FYGWEVFIWRXGGO-FGZHOGPDSA-N 316.448 4.768 30 20 DJED Cc1cc(CN[C@H]2CC[C@H](c3cccc(Cl)c3)C2)ccc1C#N 1651227849 NOWMPJAJNCZQJD-PXNSSMCTSA-N 324.855 4.946 30 20 DJED C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](Cc2ccccc2)C1 1653322773 DYGVEPCSLONQED-XLIONFOSSA-N 304.437 4.574 30 20 DJED N#Cc1ccc(CCN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)cc1 1653399796 IKJXRLMSJVTIJH-KOUNCHBCSA-N 316.448 4.511 30 20 DJED Cc1cc(N[C@H](c2ccccc2)c2cccc(F)c2)ncc1C#N 1655245614 XPGQFQCCDVFFTG-HXUWFJFHSA-N 317.367 4.602 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(OCC2CC2)cc1 1658402662 RETPLHTUQLGZOI-MRXNPFEDSA-N 320.436 4.540 30 20 DJED Cc1ccc2c(c1F)N(Cc1ccc(C#N)cc1Cl)CCC2 1658905567 NESIVAVSLGCSQG-UHFFFAOYSA-N 314.791 4.612 30 20 DJED C=C(CNC(=O)Nc1cc(C)c(F)cc1Cl)c1ccccc1 1669809001 ZWATUJUOGITVRJ-UHFFFAOYSA-N 318.779 4.622 30 20 DJED C[C@H](Nc1ccc(F)c(Cl)c1)c1ccc(OCC#N)cc1 37244224 NJPFAJQZGQDLRC-NSHDSACASA-N 304.752 4.555 30 20 DJED C[C@@H](c1ccccc1Cl)N(Cc1ccccc1C#N)C1CC1 59333934 MBSYEUZSULNIAR-AWEZNQCLSA-N 310.828 4.937 30 20 DJED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1cc(F)c(F)c(F)c1 90665752 RZKYJDMKHQDRRB-SJKOYZFVSA-N 318.342 4.800 30 20 DJED N#Cc1cccc(CNCc2cc(-c3ccccc3)cs2)c1 121479264 MYBYAMATWBBGAG-UHFFFAOYSA-N 304.418 4.577 30 20 DJED N#Cc1csc(CN[C@@H](c2cccc(F)c2)C2CCCC2)c1 154479252 JONCUNNVBJNMKL-GOSISDBHSA-N 314.429 4.780 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2ccc(C)c(Cl)c2)cc1 171292345 SONYGSDILWGUEX-UHFFFAOYSA-N 312.800 4.517 30 20 DJED CCc1ccccc1NC(=O)CS[C@@H](C)c1cccc(C#N)c1 190905899 HQXJHSFBMYYZQC-AWEZNQCLSA-N 324.449 4.554 30 20 DJED CC(=NNc1nc2ccccc2[nH]1)c1ccc(Cl)cc1Cl 254908750 SQQQSYWRALCCLB-UHFFFAOYSA-N 319.195 4.706 30 20 DJED CC1(C)C[C@@H](/N=C(/O)c2ccnc(C3CC3)c2)c2ccccc2O1 329631096 IERGGTVZPGIJHH-QGZVFWFLSA-N 322.408 4.566 30 20 DJED CC(C)N(CCCC1(C#N)CCOCC1)[C@H](C)c1ccsc1 421008816 MIKGSAQJUOZEEE-MRXNPFEDSA-N 320.502 4.620 30 20 DJED N#C[C@@H]1CC[C@H](NCc2ccccc2-c2ccc(Cl)cc2)C1 442791866 OMZPNPDQZIWGCI-KDOFPFPSSA-N 310.828 4.789 30 20 DJED Cc1ccc([C@@H]2CSCCN2CCCCC(C)(C)C#N)cc1 444640262 NLJAPZGDQSGUNI-SFHVURJKSA-N 316.514 4.805 30 20 DJED C=CCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)c1ccccc1 447316512 YYCRLJNGHGVKIR-ZIAGYGMSSA-N 317.841 4.724 30 20 DJED C=CCOCCCC(=O)N[C@@H](c1ccc(C(C)C)cc1)C(C)C 463358556 FEQVZOUFEIAWCD-HXUWFJFHSA-N 317.473 4.606 30 20 DJED C=CCCN(C)C(=O)Nc1cc(Cl)ccc1OC1CCCC1 466656039 IUQZNYJXHIUXEO-UHFFFAOYSA-N 322.836 4.701 30 20 DJED CC#CCCCC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 466867933 ZOMLDNRMWFGQQW-SFHVURJKSA-N 317.860 4.977 30 20 DJED C=CCC1(C(=O)N2CC=C(c3cccc4ccccc34)C2)CCC1 480560869 VSHWDVJHFGKPSM-UHFFFAOYSA-N 317.432 4.812 30 20 DJED C=CC[C@H](C(=O)Nc1ccc(Cl)cc1F)c1ccccc1 487648658 BPJBMGNLDKKEIE-AWEZNQCLSA-N 303.764 4.778 30 20 DJED C[C@@H](Nc1ccc(Cl)c(OC(F)F)c1)c1ccc(C#N)cc1 502583361 AMWVFUNKJYCWGI-SNVBAGLBSA-N 322.742 4.986 30 20 DJED C=C(C)CCN[C@H](C)c1ccc(OC2CCCC2)c(OC)c1 509035789 WXQUDDMNJLKQBF-OAHLLOKOSA-N 303.446 4.633 30 20 DJED C=CCCO[C@@H](C)c1nc([C@@H](c2cccc(C)c2)C(C)C)no1 514830468 IMMYYDNTSPOCFY-DOTOQJQBSA-N 314.429 4.820 30 20 DJED N#Cc1cccc(CSCc2ccccc2OC(F)F)c1 517963070 ZGSOEBKSXZXKDQ-UHFFFAOYSA-N 305.349 4.593 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1 536084083 SAHCDLNQHXYFOS-ZDUSSCGKSA-N 317.335 4.586 30 20 DJED Cc1cc(C)c(C#N)c(SCc2ncc(Cl)cc2Cl)n1 538530749 FNGSWSLWDUXSAC-UHFFFAOYSA-N 324.236 4.564 30 20 DJED C=CCN(Cc1cccs1)Cc1ncc(Cl)cc1Cl 538624107 VHVUQCRLAAUHPN-UHFFFAOYSA-N 313.253 4.638 30 20 DJED CC(C)[C@H](NCc1ccc(F)c(C#N)c1)c1ccccc1Cl 539288508 KKLRFCSOORAOBW-SFHVURJKSA-N 316.807 4.838 30 20 DJED CCC[C@@H](C#N)NC(=O)c1ccc(C)cc1Sc1ccccc1 543156596 OTRVHJQERZVJEM-HNNXBMFYSA-N 324.449 4.568 30 20 DJED CC[C@H](CC(F)(F)F)NCc1ccc(F)c(C(F)(F)F)c1 546178830 MJBSVJVGEZVVFH-SECBINFHSA-N 317.248 4.665 30 20 DJED CCOc1cc(N[C@@H](CCC#N)c2ccc(OC)cc2)ccc1C 556608852 KFPVPEUZDGGZJS-IBGZPJMESA-N 324.424 4.859 30 20 DJED Cc1cccc2cc(C(=O)N[C@H](C)c3cccc(C#N)c3)sc12 588927181 RBKYNBACOZTMEC-CYBMUJFWSA-N 320.417 4.572 30 20 DJED CCOc1cccc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c1 611392072 GKKUTMPCLZSJAO-BTYIYWSLSA-N 320.436 4.685 30 20 DJED CC(C)(CN[C@H]1CCCc2cc(C#N)ccc21)c1cccs1 611392896 UHJJNUHSCLPCKZ-KRWDZBQOSA-N 310.466 4.565 30 20 DJED C=CCN(C(=O)Cc1csc2ccccc12)c1ccccc1 611809704 KQGHXYGDGYOCRG-UHFFFAOYSA-N 307.418 4.663 30 20 DJED CC(C)c1ccc(C(C)(C)NCc2ccc(CC#N)cc2)cc1 612098841 KLDOURIOCSYOHU-UHFFFAOYSA-N 306.453 4.901 30 20 DJED CC(C)(C#N)CNCc1ccc(-c2cccc(Cl)c2)s1 612585816 RERDKBRGUDODKD-UHFFFAOYSA-N 304.846 4.708 30 20 DJED C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@H](C)CC(C)(C)C 615080642 OCGBFUPLCLIVNN-INIZCTEOSA-N 317.473 4.672 30 20 DJED CCCCCCCC(=O)NC1(c2nc(C)cs2)CCCC1 732946651 ZLOYLGGFNZARKJ-UHFFFAOYSA-N 308.491 4.698 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc3ccccc3c2)cc1F 747003223 DLOUDTIPAZWRJE-POHAHGRESA-N 306.336 4.884 30 20 DJED CC(C)[C@@H](C#N)OC(=O)c1ccc(-c2ccc(Cl)cc2)s1 750648506 QUOYVRNDQJPPCI-CYBMUJFWSA-N 319.813 4.773 30 20 DJED Clc1cnc(NN=Cc2ccccc2C2CC2)c(Cl)c1 751130047 RPEWDVCRHKCBDB-UHFFFAOYSA-N 306.196 4.712 30 20 DJED C#CC[C@@H](NCc1cc(Cl)cc2cccnc12)c1ccccc1 756997259 KVBJSAROMRXSKL-LJQANCHMSA-N 320.823 4.742 30 20 DJED CCOc1cccc(C(=O)/C=C\c2cnc(C3CCC3)s2)c1 760265407 NRUZUTSSQIJCLP-KTKRTIGZSA-N 313.422 4.705 30 20 DJED CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1cscn1 767892919 JPHVXJBGZNGCMP-UHFFFAOYSA-N 320.632 4.939 30 20 DJED CCCCCC[C@H](C)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 767975678 SMLGQVNRTBLXCO-KRWDZBQOSA-N 324.468 4.780 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3)o2)c(F)c1 772801202 KOYCOEUTHXQKFJ-HJWRWDBZSA-N 317.319 4.853 30 20 DJED C#CC[C@H](N[C@H](C)c1cccc(OC(F)F)c1)c1ccccc1 773113250 CTXYWGDFTIAALY-KDOFPFPSSA-N 315.363 4.703 30 20 DJED CC(C)c1ncc(/C=C2/COc3ccc(Cl)cc3C2=O)s1 783714345 HTIXORCNXWOVCE-YHYXMXQVSA-N 319.813 4.579 30 20 DJED COc1ccc(C(C)=NNc2ccc(Cl)cc2)c(C)c1OC 794856984 UQPNYBSLMQGYFT-UHFFFAOYSA-N 318.804 4.502 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=S)N[C@@H](C)c1ccccc1 794994385 GZVKSUMCTJNWLU-KRWDZBQOSA-N 324.493 4.700 30 20 DJED C=CC[C@@H](CC)NC(=O)N[C@@H](C)c1csc2ccccc12 798406613 VZSXNFZRPFKAGQ-QWHCGFSZSA-N 302.443 4.616 30 20 DJED C=C(C)[C@H](N[C@@H]1CCc2cccc(O)c21)c1ccc(F)c(F)c1 834768761 FOUMWSSOBDYBQJ-APWZRJJASA-N 315.363 4.565 30 20 DJED CCCn1nccc1/C=C/C(=O)c1ccc(SC)cc1Cl 853007325 UFWFDCWFHGTVNO-QPJJXVBHSA-N 320.845 4.565 30 20 DJED CC(=NNc1ccc(F)c(Cl)c1)c1cnn(C(C)(C)C)c1C 863179170 QCUSRRJIEWXRRG-UHFFFAOYSA-N 322.815 4.575 30 20 DJED FC(F)(F)c1ccc(C=NNc2nccc3sccc23)cc1 915979875 MPSNBRKROCHJBD-UHFFFAOYSA-N 321.327 4.761 30 20 DJED CCCCCCCCC(=O)NC1CCN(c2ccccc2)CC1 919700017 VNHUFWVZOZONJK-UHFFFAOYSA-N 316.489 4.522 30 20 DJED Cc1ccc(CN(C(=O)c2cccc(CC#N)c2)C(C)(C)C)cc1 1131532394 MYVVHGNLMGUGDJ-UHFFFAOYSA-N 320.436 4.502 30 20 DJED N#Cc1ccnc(SCc2ccc(-c3cccs3)cc2)c1 1188627615 LYRTWBWZAVIVOC-UHFFFAOYSA-N 308.431 4.974 30 20 DJED CC(C)(C)C1CCC(CNC(=O)Nc2cccc(C#N)c2)CC1 1197550051 LZHHPNGPLOCOCN-UHFFFAOYSA-N 313.445 4.532 30 20 DJED CC(C)(NC(=O)C[C@H](CC#N)c1ccccc1)C1CCCCC1 1256408746 LPSYUHDMSRHTTB-KRWDZBQOSA-N 312.457 4.549 30 20 DJED C[C@H](SCc1ccccc1)c1nnc(-c2ccc(C#N)cc2)o1 1257872812 ROBYVMQPDTWKJJ-ZDUSSCGKSA-N 321.405 4.603 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)c1cccc(C2CC2)c1 1293647650 APFSWTFIUCHSOR-UHFFFAOYSA-N 319.408 4.510 30 20 DJED N#Cc1ccc(C(F)(F)F)nc1NC1CCC(C2CCC2)CC1 1307169246 JZROPYRKQNWHPZ-UHFFFAOYSA-N 323.362 4.743 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@H]1[C@@H](C)c1ccccc1 1308100149 WMNKEZFBSWDASJ-UWJYYQICSA-N 304.437 4.635 30 20 DJED CC[C@@H](c1ccccc1)c1nnc(/C=C/c2ccccc2C#N)o1 1322362498 DAHDFHJXPBRTCP-HHNLSAEISA-N 315.376 4.654 30 20 DJED N#Cc1ccc(C(=O)N[C@@H](c2ccccc2)C2CCCCC2)cc1 1356412533 IAUYQYNZPUKBRQ-FQEVSTJZSA-N 318.420 4.610 30 20 DJED CC[C@@H](Cc1cccc(C)c1)C(=O)O[C@@H](C)c1ccc(C#N)cc1 1457193044 RCTGZTLULIDUIH-LPHOPBHVSA-N 321.420 4.740 30 20 DJED Cc1cccc(Oc2ccc(Nc3ncccc3C#N)cc2)c1 1472636580 KTXXDXFXDKNFQF-UHFFFAOYSA-N 301.349 4.798 30 20 DJED COc1cccc2c(CN(CCC#N)CC(C)(C)C)cccc12 1474339807 OBYFUQSXRSUDRF-UHFFFAOYSA-N 310.441 4.610 30 20 DJED CC(C)CC[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(C#N)c1 1533754529 YKXWGQSRPHVSCI-INIZCTEOSA-N 318.848 4.643 30 20 DJED CCC[C@@H](CC1CCCC1)C(=O)Nc1cc(C#N)c(F)cc1F 1535439740 VEJMNUMWMQRVPE-ZDUSSCGKSA-N 320.383 4.772 30 20 DJED CCc1ccc(C2=CCN([C@@H](C#N)c3ccccc3)CC2)cc1 1559707249 MHMYDCBCEHNHRG-NRFANRHFSA-N 302.421 4.603 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)C3(C)CCCC3)c2C#N)[C@H](C)C1 1588271637 TTWYCQIJPGOQEN-NWDGAFQWSA-N 316.470 4.824 30 20 DJED CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)Nc1ccc(C#N)cc1 1622712192 VQKMHFZPPFXACE-RDJZCZTQSA-N 313.445 4.532 30 20 DJED Cc1ccc(CCCN(Cc2ccc(C#N)cc2)CC(C)C)cc1 1657106975 JCTPBVMAQUXVOB-UHFFFAOYSA-N 320.480 4.958 30 20 DJED Cc1ccc([C@H](CC(F)(F)F)N[C@H]2CCC[C@@H](C#N)C2)cc1 1659340761 BWAVZDXNVMDSNC-KBMXLJTQSA-N 310.363 4.661 30 20 DJED CC(C)c1ccc2c(c1)C(=O)/C(=C/c1cccc(C(=O)O)c1)CC2 1776374704 HTHLASCWJGJQFO-LICLKQGHSA-N 320.388 4.721 30 20 DJED C=CCC(CC=C)C(=O)N1C[C@H](C)C[C@H]1c1ccccc1F 150963768 RIXNHOOFYQLRFI-KDOFPFPSSA-N 301.405 4.504 30 20 DJED C[C@H](N[C@H](C)c1ncc(-c2ccccc2)o1)c1ccc(C#N)cc1 173904067 JWERPTDZTZRENC-LSDHHAIUSA-N 317.392 4.625 30 20 DJED C#CCCCC(=O)N(C1CC1)[C@H](C)c1ccc2ccccc2c1 192224275 LYXSEZRWMKCUKU-MRXNPFEDSA-N 305.421 4.695 30 20 DJED O=C1/C(=C/c2csc3ccccc23)COc2c(F)cccc21 195713873 ISJNRWUZLWMPAA-DHZHZOJOSA-N 310.349 4.699 30 20 DJED C[C@@H](NCCCCC(C)(C)C#N)c1ccc(Br)cc1 235192705 JBXACWPVXODKLG-CYBMUJFWSA-N 323.278 4.820 30 20 DJED CC(C)(C)CN(CCC#N)C(=O)c1ccc(C2=CCCC2)cc1 355378083 FEDPHPNQNUYWDS-UHFFFAOYSA-N 310.441 4.656 30 20 DJED C=CCCC[C@@H](C)NC(=O)Nc1cc(-c2ncco2)ccc1C 373215981 LHVRECLEQOHLCY-CQSZACIVSA-N 313.401 4.516 30 20 DJED Cn1c(-c2ccc(F)c(C#N)c2Cl)nc2ccc(Cl)cc21 432507199 QRCYIUMWTZBYGG-UHFFFAOYSA-N 320.154 4.558 30 20 DJED CC(C)(C#N)CCCN1CCC[C@H](Oc2ccccc2Cl)C1 443651344 JQMYPIJOEYJJPU-HNNXBMFYSA-N 320.864 4.513 30 20 DJED CC[C@H](NCc1ccccc1C(F)(F)F)c1ccc(C#N)cc1 447537932 ZQFGXVOBVCBLTG-KRWDZBQOSA-N 318.342 4.818 30 20 DJED C=CCCCCCN(C)C(=O)c1cc(C(F)(F)F)ccc1F 472261557 VLIAQDRICNUXJC-UHFFFAOYSA-N 317.326 4.663 30 20 DJED N#Cc1ccc(F)c(CNc2ccc3nc(C4CC4)sc3c2)c1 487397173 SZXNIWSHISBKDR-UHFFFAOYSA-N 323.396 4.797 30 20 DJED C[C@H](Sc1cc(C#N)ccn1)c1cccc(Br)c1 488728600 FIEUTGHCEVNVMO-JTQLQIEISA-N 319.227 4.569 30 20 DJED Cc1c(C(=O)N(C)C[C@H]2CC=CCC2)sc2ccc(C#N)cc12 499198307 YIDFFMSKKHEFPV-AWEZNQCLSA-N 324.449 4.510 30 20 DJED C=CC[C@H](C(=O)N1CC[C@@H](c2ccccc2F)C1)c1ccccc1 502148734 NNNAMDHRCMYEHE-MJGOQNOKSA-N 323.411 4.502 30 20 DJED CCN(Cc1ccc(F)c(-c2cccs2)c1)C[C@H](C)C#N 509831833 JPVFXMFPCIYFNI-CYBMUJFWSA-N 302.418 4.536 30 20 DJED Cc1csc(-c2cccc(OCc3ccc(C#N)cc3F)c2)n1 522510943 WCHGMHMFFNKFHV-UHFFFAOYSA-N 324.380 4.708 30 20 DJED Cc1oc(-c2ccccc2)nc1CSc1ccc(C#N)cc1F 524727254 QEGAACSKIDQQOE-UHFFFAOYSA-N 324.380 4.953 30 20 DJED C=C(C)[C@@H](CC(=O)Nc1cccc(Nc2ccccc2)c1)OCC 535914446 LHVQYHUOSOKMLG-LJQANCHMSA-N 324.424 4.740 30 20 DJED N#CC1(CSCc2coc(-c3ccc(Cl)cc3)n2)CC1 537317698 ISCOGTUSLUWNID-UHFFFAOYSA-N 304.802 4.532 30 20 DJED N#Cc1ccnc(N2CCC[C@H]2c2ccccc2Cl)c1Cl 553275606 LTTPJQJVXVGDRT-AWEZNQCLSA-N 318.207 4.602 30 20 DJED CCCN(Cc1ccc(C#N)cc1)[C@@H](C)c1c(F)cccc1F 563316182 MTVUUFWQXMUBDL-AWEZNQCLSA-N 314.379 4.810 30 20 DJED CC(C)(C)c1ccccc1NC(=O)N1CCC(CCC#N)CC1 564929498 SSHDTQMVKGJXKB-UHFFFAOYSA-N 313.445 4.532 30 20 DJED Cc1cccc2cc(C(=O)N[C@@H](C)c3cccc(C#N)c3)sc12 588927182 RBKYNBACOZTMEC-ZDUSSCGKSA-N 320.417 4.572 30 20 DJED C=CCCCCCN(C)C(=O)[C@H]1CCCC[C@@H]1C(F)(F)F 606816582 BYZIWDFJZXBOJO-KBPBESRZSA-N 305.384 4.560 30 20 DJED C=CCCCCCN(C)C(=O)N[C@H](c1ccccc1)C1CCC1 606924562 MVUJHMMDVUIIHD-LJQANCHMSA-N 314.473 4.916 30 20 DJED CC(C)(C#N)c1ccccc1CN1CC[C@@H]1c1cccc(F)c1 610859358 YZCLNCJVDXLFGA-LJQANCHMSA-N 308.400 4.574 30 20 DJED N#C[C@@H]1CCC[C@@H](NC(Cc2ccccc2)Cc2ccccc2)C1 618570464 DGGRDFNTEKJOOR-NHCUHLMSSA-N 318.464 4.512 30 20 DJED Cc1cccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1Cl 619438203 KEDSLPVBUASFOR-UHFFFAOYSA-N 312.800 4.702 30 20 DJED C=C(C)CN(CC)C(=O)c1ccccc1SCc1ccco1 636617209 ZRNBGIHDFLZSAR-UHFFFAOYSA-N 315.438 4.610 30 20 DJED CC(=NNc1ccc(C)cc1)c1ccc(Cl)c(Cl)c1O 727650777 UBKFGVIGCXPOKI-UHFFFAOYSA-N 309.196 4.844 30 20 DJED CCCOc1cc(/C=C/C(=O)c2sccc2C)ccc1OC 733748653 GEAGRPDWZMTFQQ-FNORWQNLSA-N 316.422 4.750 30 20 DJED O=C1/C(=C/c2ccccc2OC(F)(F)F)Cc2cc(F)ccc21 734305068 GUVBAFVHJVEGGX-KPKJPENVSA-N 322.257 4.547 30 20 DJED CCCCCCCC(=O)Nc1cccc(-c2nccc(C)n2)c1 734351608 TWIYGRZPEZBABL-UHFFFAOYSA-N 311.429 4.751 30 20 DJED CC(=C/c1ccccc1)/C=C/C(=O)c1cnn(-c2ccccc2)c1 750911348 YYKHAKOWVOTWCB-SQCSQLHISA-N 314.388 4.715 30 20 DJED C#CC[C@H](Nc1nc(C(F)F)nc2ccccc12)c1ccccc1 756953737 QEGIWHFHDHHXNI-HNNXBMFYSA-N 323.346 4.744 30 20 DJED N#Cc1ccc(NCc2coc(-c3cccs3)n2)c(Cl)c1 767807958 DGUZHBGMIYLBJP-UHFFFAOYSA-N 315.785 4.540 30 20 DJED Cc1ccc(CCCC(=O)OCCCCC(C)(C)C#N)s1 768746144 KITMPGAAKSFEBZ-UHFFFAOYSA-N 307.459 4.643 30 20 DJED N#C[C@H]1CCC[C@@H](Nc2cccc(COc3ccccc3)c2)C1 774283770 YBKNWUSRTBEQAC-FUHWJXTLSA-N 306.409 4.760 30 20 DJED C=CC[C@@H](C(=O)OCc1nc2ccccc2s1)c1ccccc1 777415063 ZQHCARAXQRSWQT-OAHLLOKOSA-N 323.417 4.699 30 20 DJED O=C(/C=C\c1cc(Cl)cc(C(F)(F)F)c1)c1ccco1 780185853 BZEFREVWGGXDLP-ARJAWSKDSA-N 300.663 4.848 30 20 DJED CCC(=NNc1ncnc(Cl)c1C(C)C)c1cccc(F)c1 797404367 DLWCPIXBNBNMRN-UHFFFAOYSA-N 320.799 4.619 30 20 DJED N#CCCCCCC(=O)Oc1ccc(Cl)c2ccccc12 805854416 VBETZBBJFRLWFY-UHFFFAOYSA-N 301.773 4.873 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1ccnc(Cl)c1C 810296049 IYRQURGTDIGCDO-UHFFFAOYSA-N 321.852 4.644 30 20 DJED C#CC[C@H](NC/C(C)=C/c1ccccc1COC)c1ccccc1 814295349 XTHVFHKYNKMPFU-LXKWBGADSA-N 319.448 4.591 30 20 DJED C#Cc1ccc(CNc2ccccc2NC(=O)OC(C)(C)C)cc1 816601829 YCBRNMJWRUOVQY-UHFFFAOYSA-N 322.408 4.627 30 20 DJED C#Cc1cccc(NC(=O)c2sc3cccc(F)c3c2C)c1 817842639 XCHPFJWPAACQQQ-UHFFFAOYSA-N 309.365 4.582 30 20 DJED Clc1ccc(Cl)c(C=NNCc2ccccc2)c1Cl 818251887 BAUUKLORIKQIBE-UHFFFAOYSA-N 313.615 4.771 30 20 DJED COc1ccc(NN=C(C)CCCCC#N)c(C(F)(F)F)c1 841641824 ALTSVYHRQJEBJT-UHFFFAOYSA-N 313.323 4.586 30 20 DJED CCCCC[C@H](C)CC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842942160 WLJSDDUSOIHOAL-JSGCOSHPSA-N 304.459 4.803 30 20 DJED C=CCCC[C@H](C)Nc1ccc([S@](=N)(=O)C(F)(F)F)cc1 882162406 CPIPJIAYJADPOZ-MQJDWESPSA-N 320.380 4.769 30 20 DJED CC(=NNc1ccnc2cc(Cl)ccc12)c1cccc(C#N)c1 915934579 GUWPNDYGIUZXBB-UHFFFAOYSA-N 320.783 4.596 30 20 DJED O=C(/C=C/c1ccc(-c2ccccc2F)o1)c1ccc(O)cc1 917030238 BZEFBEBRFLFMQT-PKNBQFBNSA-N 308.308 4.687 30 20 DJED CCCc1ccc(C(=O)/C=C\c2cccc(OCCOC)c2)cc1 917143266 WYWWDVQEDASQJW-RAXLEYEMSA-N 324.420 4.560 30 20 DJED CC[C@H](NCc1ccc(Cl)cc1C#N)c1ccc(F)cc1 1116652504 VJIMCPBZOIICPK-KRWDZBQOSA-N 302.780 4.592 30 20 DJED C#CCC1(OC(=O)c2nc(-c3ccccc3)oc2C(C)C)CCC1 1122964867 XUQHIUCVAAVRNI-UHFFFAOYSA-N 323.392 4.568 30 20 DJED CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 1126054069 SKDNGTUTXAEQCT-CABCVRRESA-N 322.408 4.971 30 20 DJED CCC1(CC)CN(Cc2ccc(C#N)cc2C)c2ccccc21 1192414378 WVVTVZKDMMPHBN-UHFFFAOYSA-N 304.437 4.945 30 20 DJED Cc1ccc([C@@H](C)N(C)c2nc(C)c(C#N)cc2Cl)c(C)c1 1306941252 XRNDBCDPBNIFAY-CQSZACIVSA-N 313.832 4.729 30 20 DJED CCc1ccccc1CCSc1nc2c(cc1C#N)CCCC2 1458905572 BONOTBNKGGIFMX-UHFFFAOYSA-N 322.477 4.729 30 20 DJED CC(C)COc1cccc(COc2cc(Cl)ccc2C#N)c1 1458995557 OEKUPMAXRJOWIN-UHFFFAOYSA-N 315.800 4.825 30 20 DJED Cc1cc(C(=O)N(c2ccccc2C#N)C2CCC2)ccc1Cl 1461561051 UVSXWFFLBRSMJK-UHFFFAOYSA-N 324.811 4.719 30 20 DJED CCCC[C@@H](CC)CC(=O)Nc1cc(C#N)cn1C(C)(C)C 1517429698 QMGOGXTYWWAMGU-CQSZACIVSA-N 303.450 4.660 30 20 DJED Cc1ccccc1C(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@@H](C)CC2 1527165325 SUEKYLMOMZBNQP-AAEUAGOBSA-N 324.449 4.866 30 20 DJED N#C[C@@H]1CCC[C@@H](OC(=O)Cc2ccc(-c3ccccc3)cc2)C1 1535479310 OQWKUCCEDQHUJC-YLJYHZDGSA-N 319.404 4.522 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1ncc(-c2ccccc2)o1 1559427609 UTZUYRQFYZZZAC-UHFFFAOYSA-N 324.767 4.754 30 20 DJED Cc1c(C)c(C)c(CN[C@H](C)c2ccc(C#N)cc2)c(C)c1C 1559832674 XSHCCQRVLMWLRS-GOSISDBHSA-N 306.453 4.951 30 20 DJED CC[C@H](CN1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccccc1 1560647540 ZIAQMHGQGYLNAB-QIJUGHKUSA-N 318.464 4.952 30 20 DJED C[C@@H](CSc1cc(C#N)ccn1)c1ccc(C(F)(F)F)cc1 1613475597 QOWQUSJLZNTLNO-NSHDSACASA-N 322.355 4.868 30 20 DJED Cc1cc(CNc2ccccc2OCCC(C)C)ccc1C#N 1620986488 PPJUSTHXVWCKEW-UHFFFAOYSA-N 308.425 4.904 30 20 DJED CCC[C@H](CC)S[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 1641106519 UDTNXCWOWNDHLB-FZMZJTMJSA-N 324.877 4.851 30 20 DJED CC(C)[C@@H](CNc1c(C#N)cccc1C#N)c1ccc(Cl)cc1 1642666899 ZKKSCBAWYOTXNZ-GOSISDBHSA-N 323.827 4.935 30 20 DJED Cc1cccc(C)c1[C@H]1CCCN1Cc1ccc(F)c(C#N)c1 1643789418 QESNILOZRNHKJH-LJQANCHMSA-N 308.400 4.651 30 20 DJED C[C@H]1[C@H](c2ccccc2)CCN1Cc1ccc(C#N)cc1Cl 1644756146 LNLNLRNGSSZRKC-KBXCAEBGSA-N 310.828 4.590 30 20 DJED CCC[C@@H]1[C@H](C)CCCN1c1ccc(C#N)c(Br)c1 1655191559 GBILVASPYZSYMN-MLGOLLRUSA-N 321.262 4.726 30 20 DJED CC(C)CN(CCC#N)C[C@H](C)c1ccc(C(F)(F)F)cc1 1664074752 GWRIUUVSWXIALL-AWEZNQCLSA-N 312.379 4.681 30 20 DJED C[C@H](CCN[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 1665022395 QMDVSGYGARPRKW-IIBYNOLFSA-N 304.437 4.719 30 20 DJED CC1(C)CCc2ccccc2C(=NNc2cccc(C(=O)O)c2)C1 1776037234 MODGXEVZIQOBAN-UHFFFAOYSA-N 322.408 4.564 30 20 DJED COc1cc(C(=O)O)ccc1NN=C(C)CCC1CCCCC1 1776050091 YKOMOPSPPYNDJA-UHFFFAOYSA-N 318.417 4.542 30 20 DJED N#Cc1cccc(N[C@@H]2CCSc3ccc(Cl)cc32)c1 37203242 RCRLXFRBSIZSPA-OAHLLOKOSA-N 300.814 4.861 30 20 DJED CC(C)(C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 46706815 VBNFMDBJUQRTCD-LBPRGKRZSA-N 318.829 4.686 30 20 DJED C[C@@H](Nc1nc(C(F)F)nc2ccccc12)c1ccc(C#N)cc1 66453021 DPXHJVMKRWGSLX-LLVKDONJSA-N 324.334 4.612 30 20 DJED CC(C)Sc1ccc(Cl)cc1NC(=O)C1(C#N)CCCC1 105377553 MLPWNPGZZHNEMP-UHFFFAOYSA-N 322.861 4.863 30 20 DJED C=CCC[C@@H](NCc1cc(C(CC)CC)no1)c1ccco1 286310183 XCDRWBADQPLJBU-MRXNPFEDSA-N 302.418 4.968 30 20 DJED Cc1ccc(C)c([C@H]2CCCN2c2ccc(Cl)c(C#N)n2)c1 301685416 VJCCRCCGHMJMGW-QGZVFWFLSA-N 311.816 4.565 30 20 DJED C[C@@H](NC(=O)c1cc(C#N)ccc1Cl)c1ccc(C2CC2)cc1 416076851 IDBQOTKMBRTPEC-GFCCVEGCSA-N 324.811 4.580 30 20 DJED Cc1cc(O[C@H](C)c2ncc(-c3ccccc3)o2)ccc1C#N 434751193 CIOZOUHYZMIUNM-CQSZACIVSA-N 304.349 4.662 30 20 DJED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(Cl)sc1Cl 436291965 AZVOCOXFQGMYDW-KWBADKCTSA-N 320.285 4.687 30 20 DJED CCCC[C@H](CC)CC(=O)N[C@H](CCC#N)c1ccccc1 439671171 GYDKFAHXEGLUNU-FUHWJXTLSA-N 300.446 4.754 30 20 DJED CCc1c(NCc2ccc(C#N)c(C)c2)cnn1C(CC)CC 444006094 VIQWCUUNDJJPNU-UHFFFAOYSA-N 310.445 4.599 30 20 DJED N#C[C@@H]1CCC[C@H](Nc2ccc(-c3cnc(C4CC4)o3)cc2)C1 447606806 NORSKNPTJYMFLT-DYVFJYSZSA-N 307.397 4.713 30 20 DJED C=CCn1c(SCc2nc(C)c(C)s2)nc2ccccc21 461546133 UOPDSKFGGMGMQK-UHFFFAOYSA-N 315.467 4.588 30 20 DJED C=CC[C@@H](CC)NC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 466376466 ISVONWZZRHWQQH-APWZRJJASA-N 312.457 4.593 30 20 DJED C[C@@H](CCNc1ncccc1C#N)c1cccc(C(F)(F)F)c1 470871738 FPOWLEQXCMSLES-LBPRGKRZSA-N 319.330 4.578 30 20 DJED C=CCC[C@H](NC(=O)N1CC(C2CCCC2)C1)c1ccccc1 474542579 RLTMSVQDZPDINO-IBGZPJMESA-N 312.457 4.526 30 20 DJED CCSc1ccc([C@@H](C)NCc2ccc(C#N)c(C)c2)cc1 488164241 KHBYPRGYBFTPRW-OAHLLOKOSA-N 310.466 4.830 30 20 DJED N#Cc1ccccc1-c1ccc(CS[C@H]2CCCOC2)cc1 502446299 UNGSAHUTFOXHKL-SFHVURJKSA-N 309.434 4.637 30 20 DJED CCC(CC)CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 505314282 MTUQNSONZBRBND-ZDUSSCGKSA-N 313.228 4.501 30 20 DJED COc1cc([C@@H](C)Nc2ccc(C#N)cc2)ccc1OCC(C)C 507228051 ZMBOXGZNDYLXGE-OAHLLOKOSA-N 324.424 4.775 30 20 DJED C=CCOc1cccc(NC(=O)N2CCCC[C@@H]2[C@H](C)CC)c1 523420780 AJRSESUWDNOYEU-CRAIPNDOSA-N 316.445 4.684 30 20 DJED C=CCN(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 524482167 FHMHGXVVHLHBFR-UHFFFAOYSA-N 308.303 4.515 30 20 DJED C[C@H](N[C@@H]1c2cccc(F)c2CC[C@H]1C)c1cccc(C#N)c1 539494200 BCNOJFJBFAYWRU-CKNLXJGOSA-N 308.400 4.672 30 20 DJED C[C@@H](N[C@H]1CCc2c(Cl)cccc21)c1ccc(C#N)c(F)c1 539610056 OBIKWAYAFQPOCS-ZMZPIMSZSA-N 314.791 4.689 30 20 DJED N#Cc1cccc(CNc2ccccc2OC2CCCC2)c1F 542237814 PQJHUTSKTWQXKL-UHFFFAOYSA-N 310.372 4.631 30 20 DJED C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 557932147 ZETABMZNHZVTMW-YWZLYKJASA-N 324.424 4.653 30 20 DJED N#CCC[C@H](C#N)CNc1ccc(CCCc2ccccc2)cc1 579701644 KAOTWUBAGHFAIN-HXUWFJFHSA-N 317.436 4.717 30 20 DJED CC(C)(C)C[C@H](NC(=O)CCCCCC#N)c1ccccc1 588150488 XLRPRUNHECUFGO-KRWDZBQOSA-N 300.446 4.754 30 20 DJED COc1ccccc1-c1cccc(NC(=O)CCCCCC#N)c1 588359643 MDEQDMIUWBTPDA-UHFFFAOYSA-N 322.408 4.775 30 20 DJED N#CC1(CC(=O)Nc2ccc(CC(F)(F)F)cc2)CCCCC1 597290643 QYSBPVHZTPFUEO-UHFFFAOYSA-N 324.346 4.594 30 20 DJED Cc1cc(Oc2ccccc2)ccc1NC[C@@H](O)CC(C)(C)C#N 598726952 YXHCXUBVGJAPLX-INIZCTEOSA-N 324.424 4.500 30 20 DJED CO[C@@H](C)c1nc(CSc2ccc(Cl)cc2C#N)cs1 601911761 IXURWYHPEIXRJG-VIFPVBQESA-N 324.858 4.668 30 20 DJED C[C@H](CCC1CCCCC1)NC(=O)Nc1ccc(CC#N)cc1 609683429 UDYBSVSAYQEMQK-OAHLLOKOSA-N 313.445 4.623 30 20 DJED CCN(Cc1cscc1Cl)[C@H](C)c1ccc(C#N)cc1 611256416 KVLIAYDTCICSKT-GFCCVEGCSA-N 304.846 4.856 30 20 DJED C[C@H](NC[C@H]1CCCC[C@@H]1C(F)(F)F)c1cccc(C#N)c1 611438805 WBZAZNKBJBSPEM-MAZHCROVSA-N 310.363 4.578 30 20 DJED C=CCC1(C(=O)Nc2ccc3c(cnn3C(F)F)c2)CCCC1 649212184 NBKMFODQFJWFHQ-UHFFFAOYSA-N 319.355 4.506 30 20 DJED CCCOc1ccc(C(=O)/C=C\C2=Cc3ccccc3OC2)cc1 726742850 YLBFHSDXOUTRDB-GHXNOFRVSA-N 320.388 4.690 30 20 DJED C=C(C)CNc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 731664419 GIJNDORARZXRJS-HXUWFJFHSA-N 320.436 4.652 30 20 DJED O=C(/C=C\c1ccc(F)c(F)c1)c1cccc(-c2ccncc2)c1 741474220 WEOAVGOXPSSBFX-ALCCZGGFSA-N 321.326 4.923 30 20 DJED N#Cc1ccc2c(c1)CC/C(=C/c1cccc3ccccc13)C2=O 742436597 CMYOLVNHLZNAET-UYRXBGFRSA-N 309.368 4.924 30 20 DJED C/C(=C/C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)C(C)(C)C 744036576 DBKFOUOMDSBVPF-VSKPTYQZSA-N 324.449 4.979 30 20 DJED CC(C)c1nc(C(=O)/C=C/c2ccccc2C(F)(F)F)co1 752889687 OBLSYYKIFXXHLI-BQYQJAHWSA-N 309.287 4.713 30 20 DJED C[C@@H](CC=NNc1ncccc1C(F)(F)F)c1ccccc1 755643058 KRPQNCRNHWZJNB-LBPRGKRZSA-N 307.319 4.692 30 20 DJED Cc1cc(/C=C2/Cc3cc(Cl)ccc3C2=O)cnc1Cl 760264850 MZNNSPPLEOMRMB-XGICHPGQSA-N 304.176 4.519 30 20 DJED Clc1ccc(NN=Cc2sccc2Br)cc1 764890787 BTVSZROUXQEVII-UHFFFAOYSA-N 315.623 4.610 30 20 DJED C=CCC[C@@H](Nc1nccc2c1C(=O)OC2(C)C)c1ccccc1 771929367 XYVYRPZKBOJYOS-MRXNPFEDSA-N 322.408 4.607 30 20 DJED CC(=NNc1cccc(Cl)n1)c1sc(C(C)(C)C)nc1C 793174008 GWENJCZHLYDNIT-UHFFFAOYSA-N 322.865 4.634 30 20 DJED C=CCCCCCCNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 805220997 IWCPPCIADFEHLW-KBPBESRZSA-N 305.384 4.608 30 20 DJED C#CC[C@@H](NC1CCC(OC2CCCC2)CC1)c1ccccc1 824037492 PNJUXTRTZLKULO-DQVLVPHSSA-N 311.469 4.611 30 20 DJED CC(CCc1ccccc1)=NNc1ncc(Cl)cc1Cl 916316988 SWXPYNGEHZNZEQ-UHFFFAOYSA-N 308.212 4.809 30 20 DJED Cc1ccc(C)c(C(=O)/C=C/c2cn3cc(Cl)ccc3n2)c1 920756403 ZLIRPRPIQUNJJQ-VOTSOKGWSA-N 310.784 4.501 30 20 DJED CCC[C@@H](Nc1nccc(Oc2cccc(C#N)c2)n1)C(C)(C)C 1186491899 MJMJLPTZGGTLCT-MRXNPFEDSA-N 324.428 4.767 30 20 DJED CCC(CC)[C@@H](NC(=O)c1cc(C#N)ccc1F)c1ccccc1 1264510105 GSEAMPLEXYYKFA-LJQANCHMSA-N 324.399 4.605 30 20 DJED CC[C@H](C)c1ccc([C@H](Nc2nc(C)cc(C#N)n2)C(C)C)cc1 1306917276 CRBDUMXPGMPVPZ-IFXJQAMLSA-N 322.456 4.979 30 20 DJED CC[C@H]1CCCN(c2c(C#N)cnc3c(Cl)cccc23)CC1 1306967659 RNRVPZVVVBHHPZ-ZDUSSCGKSA-N 313.832 4.776 30 20 DJED CC(C)Cc1cccc([C@@H](C)Nc2ccc(OCC#N)cc2)c1 1345426396 IKZMNAUTHQGUFM-MRXNPFEDSA-N 308.425 4.961 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)C1CC2(CCC2)C1 1354573832 HPNXCYJEOCCIPC-UHFFFAOYSA-N 322.433 4.806 30 20 DJED CCCCC(=O)OCc1ccccc1Oc1ccccc1C#N 1460039455 YAFMGCZPCYFAHJ-UHFFFAOYSA-N 309.365 4.584 30 20 DJED CC(C)Sc1cccc(Cl)c1CN1CCC[C@@](C)(C#N)C1 1461992221 ANEYGPNVFNHJOJ-KRWDZBQOSA-N 322.905 4.966 30 20 DJED CCC(C)(C)C(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@H]2C 1523479329 WSTQMXKXBIOFOT-GHMZBOCLSA-N 304.459 4.680 30 20 DJED CCN(C(=O)[C@H](C)CC1CCCC1)c1ccc(C#N)c(Cl)c1 1526041934 REXSHOOROVMIAV-CYBMUJFWSA-N 318.848 4.781 30 20 DJED CC(C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)C)C2 1527278243 PNELYVABLZBQQB-ZDUSSCGKSA-N 318.486 4.755 30 20 DJED C[C@@H]1c2ccc(F)cc2CCN1Cc1ccccc1C(C)(C)C#N 1560119393 YKOGWQPGCDULAL-OAHLLOKOSA-N 322.427 4.746 30 20 DJED N#Cc1ccc(C2CCN([C@H]3CCc4ccc(F)cc43)CC2)cc1 1620623340 SXZPKLIEGGWASC-NRFANRHFSA-N 320.411 4.564 30 20 DJED C[C@@H](C#N)Oc1ccccc1NC[C@H](C)CC1CCCCC1 1620873349 YGNWDQGPQFUTHN-CVEARBPZSA-N 300.446 4.996 30 20 DJED CCc1ccccc1CN(Cc1ccc(C#N)cc1)CC(C)C 1641621732 NVQZAQOVIFRTAZ-UHFFFAOYSA-N 306.453 4.779 30 20 DJED CC(C)C[C@@H]1CCC[C@H](Nc2ccccc2O[C@H](C)C#N)C1 1651997331 KPAOQVFMJVOXGW-IKGGRYGDSA-N 300.446 4.994 30 20 DJED Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2ccc(C#N)c(C)c2)c1 1652913014 YHFARMIMPGVTOL-OAHLLOKOSA-N 324.449 4.603 30 20 DJED Cc1cc(Oc2ccc(C#N)cc2)ccc1Nc1nccs1 1655016531 SVQDCRRTOTZGIB-UHFFFAOYSA-N 307.378 4.859 30 20 DJED CC(C)[C@@H](CN[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 1662682197 WKOMFWWVORAJKL-YADHBBJMSA-N 318.464 4.965 30 20 DJED CC(C)c1ccc(-n2ccnc2SC[C@H](C#N)CCC#N)cc1 66400882 RGFDFULBKXNORC-HNNXBMFYSA-N 324.453 4.531 30 20 DJED Cc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1C 66801517 STRKTNVKGQOMNC-OAHLLOKOSA-N 324.449 4.950 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)CCC2CCCCC2)n1 80454993 WVMYWQLJDCMDMK-AWEZNQCLSA-N 304.459 4.803 30 20 DJED CCCCCCCC(=O)N[C@@H](c1ccccc1)c1ccncc1 127795080 MGKLRHDRSOKDHK-FQEVSTJZSA-N 310.441 4.648 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCCc3sccc32)cc1 137448751 MVOXYHHDIUKFCD-INIZCTEOSA-N 324.449 4.608 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCC1CCC1 176576256 PWYMOLCNGJMOOI-ZDUSSCGKSA-N 302.443 4.600 30 20 DJED C[C@@H](N[C@H](C)c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 193002571 UUIQRDBLAANWCE-CHWSQXEVSA-N 318.342 4.989 30 20 DJED Cc1c(Br)cccc1N[C@@H](C)c1ccc(C#N)cc1 227599638 RXAAAGOQHGDGME-LBPRGKRZSA-N 315.214 4.802 30 20 DJED N#Cc1csc(/C=C(\Cl)c2nc3ccccc3s2)c1 255696790 YMBBQRJJTOQSLD-WDZFZDKYSA-N 302.811 4.966 30 20 DJED COc1ccccc1-c1ccc([C@H](C)N[C@@H](C)CCC#N)cc1 298854684 IUHGHAJBGXQZKB-HOTGVXAUSA-N 308.425 4.705 30 20 DJED Cc1csc(-c2cccc(OCc3ccc(C#N)cc3)c2)n1 303204592 YJTQJSCWJGIKCI-UHFFFAOYSA-N 306.390 4.569 30 20 DJED CC(O)=Nc1ncccc1N=C(O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 329641077 ZPJASAOQVQNPBO-RBSFLKMASA-N 315.417 4.884 30 20 DJED Cc1ccc(-c2cccnc2)cc1N/C(O)=N/[C@@H]1CC[C@H](C)C1 330328617 LWAMDMRALZUTIF-SUMWQHHRSA-N 309.413 4.572 30 20 DJED CC(C)c1ccc(/C(O)=N/CC2(C(=N)O)CCCC2)cc1Cl 330954704 SRAPYWHUTDVXDI-UHFFFAOYSA-N 322.836 4.864 30 20 DJED C[C@H](CCC(C)(C)C)C(=O)N[C@H](CCC#N)c1ccccc1 348031912 WOKULAPANWLKML-NVXWUHKLSA-N 300.446 4.610 30 20 DJED N#CCn1c(/C=C\c2cc3cc(F)ccc3o2)nc2ccccc21 352008721 RPQKXVZFDZTLPJ-VURMDHGXSA-N 317.323 4.616 30 20 DJED COc1ccccc1-c1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 424328760 OMLMQHMZOWETFJ-JTDSTZFVSA-N 320.436 4.705 30 20 DJED C=CCC[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 435274833 MPDCPXLGGXOVQP-LJQANCHMSA-N 318.420 4.534 30 20 DJED CCCC1CCC(N(C(=O)c2cc(C#N)oc2C)C(C)C)CC1 439100466 WGZWCYDVKILXTE-UHFFFAOYSA-N 316.445 4.669 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1ccccc1COC(C)(C)CC 439380204 ABVASWRDLZALBS-MRXNPFEDSA-N 318.461 4.868 30 20 DJED Cc1cc([C@@H](NCCCCC(C)(C)C#N)C2CC2)ccc1F 444679560 MYIKIFBNHDWTDS-SFHVURJKSA-N 302.437 4.895 30 20 DJED C=CCCCCNC(=O)CCCc1cccc(C(F)(F)F)c1 471664650 AAVLLYYWVFMFNC-UHFFFAOYSA-N 313.363 4.501 30 20 DJED CN(Cc1ccc(C#N)cc1)C(=O)CC(C)(C)C1CCCCC1 474701673 NCBWMKXDCJKDIQ-UHFFFAOYSA-N 312.457 4.513 30 20 DJED CCC1(Cc2ccccc2)CCN([C@H]2CCC[C@@H](C#N)C2)CC1 479555160 SGZVSFFUJDBMBJ-UXHICEINSA-N 310.485 4.804 30 20 DJED CC(C)(C)[C@@H](NCc1ccc(F)cc1C#N)c1ccc(F)cc1 489659402 ODUAPHMWJPZOKF-SFHVURJKSA-N 314.379 4.713 30 20 DJED CC(C)(C#N)CC(=O)Nc1cccc(CSC2CCCC2)c1 498739825 KPSLVJFKOSJUIJ-UHFFFAOYSA-N 316.470 4.741 30 20 DJED Cc1c(C#N)cccc1NCc1csc(-c2ccc(F)cc2)n1 500739074 YHEZLQHGLMMZGS-UHFFFAOYSA-N 323.396 4.741 30 20 DJED N#Cc1cc(NC(=O)c2ccc3ccccc3c2)nc2ccccc12 516342514 MVASUIULSNGLKO-UHFFFAOYSA-N 323.355 4.512 30 20 DJED Cc1cccc(CCC(=O)Nc2ccccc2SCCC#N)c1 524673939 PNVUFKILHIZFIL-UHFFFAOYSA-N 324.449 4.572 30 20 DJED Cc1cc(CN[C@@H](C)c2ccc(C#N)cc2)c2[nH]c(C)c(C)c2c1 537295794 PJBVUMFRAPASMX-INIZCTEOSA-N 317.436 4.816 30 20 DJED C=C(C)CN(CC)C(=O)c1cc(Cl)c2cc(Cl)ccc2n1 541062756 WSRRAGCWOVMKFM-UHFFFAOYSA-N 323.223 4.580 30 20 DJED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)CCCC2 556599879 BDQYRKOMXDEHPS-MRXNPFEDSA-N 316.448 4.777 30 20 DJED CCC[C@@H](Nc1cc(C#N)ncn1)c1ccc(Cl)c(Cl)c1 562928984 WGJWGQNNDRLEMB-CQSZACIVSA-N 321.211 4.608 30 20 DJED CC(=O)c1c(C)cc(C)c(CSCCC(C)(C)C#N)c1C 578179540 DCVPEGHMGFIBEY-UHFFFAOYSA-N 303.471 4.988 30 20 DJED N#Cc1cccc(CSCc2cc(-c3ccccc3)no2)c1 609235997 GGKFFEHTQVBPJR-UHFFFAOYSA-N 306.390 4.647 30 20 DJED C[C@H](NCc1cc(C(F)(F)F)ccc1F)c1ccc(C#N)cc1 609598456 LGJQTIXJDSAJFD-NSHDSACASA-N 322.305 4.567 30 20 DJED N#CC[C@H](CC(=O)N1CCCCc2sccc21)c1ccccc1 619557724 UFNILZCBUHZHFC-MRXNPFEDSA-N 324.449 4.505 30 20 DJED C=C[C@H](Cc1nc([C@H]2CCc3ccccc32)no1)c1ccccc1 680747590 QLXXHTIRSQXYFM-BEFAXECRSA-N 316.404 4.660 30 20 DJED C=CCN(C(=O)Nc1ccc(-c2nc(C)cs2)cc1)C(C)C 726078527 JRRKCOQCMBZFMF-UHFFFAOYSA-N 315.442 4.547 30 20 DJED C[C@@H]1C[C@H](CC(=O)[C@@H](C#N)c2nc3ccccc3o2)CC(C)(C)C1 727629489 YQMQASSPHCNWTE-RBSFLKMASA-N 324.424 4.857 30 20 DJED Cc1[nH]c2ccccc2c1C(=O)/C=C/c1ccc(N(C)C)c(F)c1 727653855 ATMSFVCWOXNVNJ-PKNBQFBNSA-N 322.383 4.578 30 20 DJED CCCOc1ccc(/C=C2/CCOc3ccccc3C2=O)cc1 728441136 DVWIYBHYBNZJJD-PEZBUJJGSA-N 308.377 4.524 30 20 DJED C[C@@H](c1ccccc1)c1ccc(OC(=O)C2(C#N)CCCC2)cc1 728851776 FBFOODQYEWWRGZ-INIZCTEOSA-N 319.404 4.828 30 20 DJED C#CCOc1ccc(CN[C@@H](C)c2ccc3ccccc3c2)cc1 733322774 CSWPDBNZFQNAEF-KRWDZBQOSA-N 315.416 4.703 30 20 DJED CCCCCCCCC(=O)N[C@H](C)c1nc2ccccc2n1C 736217869 CSZPULYPZZFTMH-OAHLLOKOSA-N 315.461 4.501 30 20 DJED CC(/C=C\C(=O)c1cc([N+](=O)[O-])ccc1C)=C/c1ccccc1 739425353 OTSJMGNKFOBKJX-WTWRPZBJSA-N 307.349 4.746 30 20 DJED C=CCCCCCN(C)C(=O)c1c(C)oc2ccc(OC)cc12 739654300 LMAKIDLHTCLTNJ-UHFFFAOYSA-N 315.413 4.568 30 20 DJED CCCCC[C@@H](C)CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 742646368 MRTJXPHOGQAOGA-CJNGLKHVSA-N 306.837 4.627 30 20 DJED N#Cc1csc(/C=C\C(=O)c2nc(-c3ccccc3)cs2)c1 748440463 LOQXWMHMMTYULB-SREVYHEPSA-N 322.414 4.639 30 20 DJED Cc1ccc(-c2nc(/C=C3\Cc4c(F)cccc4C3=O)co2)cc1 749891472 LEHANYMQYHKUGD-NTEUORMPSA-N 319.335 4.612 30 20 DJED O=C(/C=C\c1cc2ccccc2s1)c1ccc2c(c1)COC2 758434808 VGMUGALQCIOJCD-FPLPWBNLSA-N 306.386 4.828 30 20 DJED O=C(/C=C/c1ccc(Cl)nc1Cl)c1ccc(F)cc1F 761477409 LWFNQEJTBGJVLH-ORCRQEGFSA-N 314.118 4.563 30 20 DJED COc1ccc2oc(/C=C/C(=O)c3cc(F)ccc3F)cc2c1 763290495 QPIXUHRMKDKTTQ-ZZXKWVIFSA-N 314.287 4.616 30 20 DJED COc1ccsc1/C=C/C(=O)c1ccc2cc(O)ccc2c1 764443734 XCWLMGIXBLUXKY-VOTSOKGWSA-N 310.374 4.512 30 20 DJED C=CC[C@@H](N[C@@H](CC)c1ccc(N(C)C)cc1)c1ccncc1 766018106 GAAJOXWMARLHSN-VQTJNVASSA-N 309.457 4.506 30 20 DJED CC1(C)C(=NNc2ncnc3ccsc23)C[C@H]1c1ccccc1 768481825 AYSQTFFMLRSVFL-ZDUSSCGKSA-N 322.437 4.673 30 20 DJED O=C(/C=C\c1cccc(-c2cccnc2)c1)c1cccc(F)c1 768486331 YZECXNGALXSRNP-KTKRTIGZSA-N 303.336 4.784 30 20 DJED C#CC[C@@H](N[C@@H](C)c1cc(F)c(F)c(F)c1)c1ccccc1 773116015 PAJBJJZAVCFULU-YVEFUNNKSA-N 303.327 4.519 30 20 DJED C#CCCCCC(=O)N(C)c1ccccc1Oc1ccccc1 773297595 STBYECVBQTUKLJ-UHFFFAOYSA-N 307.393 4.635 30 20 DJED FC(F)(F)CC(=NNc1cc(Cl)ccn1)c1ccccc1 777907438 UTPKQWXERQWQRJ-UHFFFAOYSA-N 313.710 4.504 30 20 DJED CC(=NNc1cc(Cl)cc(Cl)c1)c1scnc1C 790202597 RUEVYOUIOUQUMY-UHFFFAOYSA-N 300.214 4.594 30 20 DJED C=CCC1(C(=O)OCc2csc(-c3ccsc3)n2)CCC1 791559156 WCZFWKYLNZROFR-UHFFFAOYSA-N 319.451 4.661 30 20 DJED CC1(C)CC(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)C1 796813801 ZXHQCEKBHUYAJI-NSHDSACASA-N 318.829 4.562 30 20 DJED COCc1cccc(/C=C\C(=O)c2c(F)cccc2Cl)c1 809159652 TXSPPSPRKZICTF-HJWRWDBZSA-N 304.748 4.522 30 20 DJED Cc1c(C(=O)/C=C\c2cccc(F)c2C#N)oc2ccccc12 811686980 AVOHBHBYPCEDPM-KTKRTIGZSA-N 305.308 4.648 30 20 DJED C(=NNc1nnc(-c2ccccc2)s1)c1ccccc1C1CC1 814946942 UOYPBGCCTGXTCL-UHFFFAOYSA-N 320.421 4.529 30 20 DJED C=CCCCCC[C@H](C)Nc1cccc([C@@H]2CCC(=O)N2)c1 840883769 HVIWEOPICCIYKK-YJBOKZPZSA-N 300.446 4.575 30 20 DJED N#C[C@@H](C(=O)[C@H](F)CC1CCCCC1)c1nc(C2CC2)cs1 842945764 RXNDKTMFWIQDMX-UONOGXRCSA-N 320.433 4.505 30 20 DJED O=[N+]([O-])c1cccc(NN=Cc2ccccc2-c2ccccc2)c1 917531334 JRXPMHMURDDERU-UHFFFAOYSA-N 317.348 4.708 30 20 DJED CCCC[C@@H](C(=O)[C@H](C#N)c1nc(C(C)C)cs1)C(C)C 1122734666 DSROAEWAZKNNSY-KGLIPLIRSA-N 306.475 4.905 30 20 DJED CCCCN(C(=O)[C@@H](C#N)CCc1ccccc1)c1ccccc1 1149108802 OOSURLAQIOBMPI-LJQANCHMSA-N 320.436 4.592 30 20 DJED Cc1ccc(C)c(C2CCN(Cc3ccc(F)c(C#N)c3)CC2)c1 1176804666 SNQZYPXPMVYGST-UHFFFAOYSA-N 322.427 4.694 30 20 DJED Cc1cc(C)c(/C=C/CN(C)Cc2ccc(C#N)cc2)cc1C 1204721799 PYWZODZHCOIGGB-AATRIKPKSA-N 304.437 4.629 30 20 DJED C[C@H]1C[C@@H](CC(=O)OCc2cc(C#N)ccc2F)CC(C)(C)C1 1265727454 KGLBKQQWQXDEKX-ZFWWWQNUSA-N 317.404 4.593 30 20 DJED CC[C@@H](C)c1nnc(-c2cccc(Oc3ccc(C#N)cc3)c2)o1 1322890828 UCSFWUWZRYJUJK-CYBMUJFWSA-N 319.364 4.914 30 20 DJED C#CCCCCc1nnc(-c2sc(-c3ccccc3)nc2C)o1 1326253001 ZHEHKGIMPSDUNR-UHFFFAOYSA-N 323.421 4.515 30 20 DJED CC(C)c1cccc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1 1352844314 KYTGPVGLGIEUQC-UHFFFAOYSA-N 320.436 4.732 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)CCC1CCCCCC1 1436969597 QFGOWQDCAFUNPP-MRXNPFEDSA-N 312.457 4.828 30 20 DJED C[C@@H]1CCC[C@H](C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1460571043 QIPQJRZBCIDABG-NEPJUHHUSA-N 304.459 4.682 30 20 DJED Cc1ccc(C[C@@H]2CCCN2Cc2ccc(Cl)cc2C#N)cc1 1559537967 LDZTWZQRCZZNBU-FQEVSTJZSA-N 324.855 4.727 30 20 DJED COc1ccc(Oc2ccc(CNCC(C)(C)CC#N)cc2)cc1 1560500560 UTSRRELPRDIEIE-UHFFFAOYSA-N 324.424 4.517 30 20 DJED C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C[C@H](C)CCC#N 1560815098 QMQNAPZBQRDABW-NEPJUHHUSA-N 311.256 4.852 30 20 DJED C[C@@H](CN(C)Cc1ccccc1C(C)(C)C#N)c1ccccc1 1615410736 FEIYFQRINWTERK-KRWDZBQOSA-N 306.453 4.723 30 20 DJED Cc1cc(CN2CCC[C@]2(C)Cc2ccccc2F)ccc1C#N 1621408206 SKXRPDSRFRCHHR-OAQYLSRUSA-N 322.427 4.603 30 20 DJED Cc1ccnc(NCC(c2ccccc2)c2ccccc2)c1C#N 1651293950 SQKFINDXMNSOER-UHFFFAOYSA-N 313.404 4.506 30 20 DJED CC[C@H](Cc1ccc(Cl)cc1)Nc1cccc(OCC#N)c1 1657713588 QKOILHVQQKRHLR-MRXNPFEDSA-N 314.816 4.676 30 20 DJED C[C@H](Cc1ccccc1Cl)NCc1ccc(C#N)c(Cl)c1 1658981093 SCSJESCBYUKPPP-GFCCVEGCSA-N 319.235 4.586 30 20 DJED N#C[C@H]1CCC[C@H](Nc2cccc(OCc3ccccc3)c2)C1 1665391938 MCRPMZFXNCZYAI-ROUUACIJSA-N 306.409 4.760 30 20 DJED CC(=NNc1cccc(C(=O)O)c1)C1CCC(C(C)C)CC1 1776038495 MODUQAYZATWOSN-UHFFFAOYSA-N 302.418 4.635 30 20 DJED CCCCCCCC[C@@H](C)C(=O)Nc1ccc(C(=O)O)cc1 1776786121 NLSDKPVASYADRR-CQSZACIVSA-N 305.418 4.710 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc2[nH]ccc2c1 103580371 LTWMVWQDIVCOED-UHFFFAOYSA-N 323.371 4.527 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccccc1Cc1ccccc1 104976612 VKZRZZJKKNFVPB-UHFFFAOYSA-N 308.425 4.707 30 20 DJED CC(C)(C)OC(=O)Nc1cccc(CSCCCCC#N)c1 182362287 FPBYZJXECVCRHU-UHFFFAOYSA-N 320.458 4.961 30 20 DJED CCC[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccccc1 194890595 MIKUERCHMMNFHE-NRFANRHFSA-N 321.468 4.667 30 20 DJED Cc1ccc(-c2cccnc2)cc1N/C(O)=N/[C@@H]1CC[C@@H](C)C1 330328616 LWAMDMRALZUTIF-CXAGYDPISA-N 309.413 4.572 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@H](C)c1cccc(C#N)c1 336865183 UZDCCUYPLKKMJW-RDTXWAMCSA-N 308.425 4.824 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CC[C@@H](F)C1 351528153 CFBULDMNOPETBQ-CABCVRRESA-N 304.409 4.551 30 20 DJED C=CCC[C@H](NCc1ccc(-c2csc(C)n2)o1)C1CC1 358024601 RKHDTFJYUFNFCI-HNNXBMFYSA-N 302.443 4.546 30 20 DJED Cc1cc(CN(C)Cc2ccccc2C(C)(C)C#N)ccc1F 444746197 VFCLUWGZQIBKCI-UHFFFAOYSA-N 310.416 4.567 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(F)cc1C 471140794 REDBVPSPYLBRIG-UHFFFAOYSA-N 312.388 4.744 30 20 DJED C[C@@H](CCSc1ccccc1)Sc1cc(C#N)ccn1 473688125 ZFEIUNOXSAOUGZ-ZDUSSCGKSA-N 300.452 4.616 30 20 DJED CC(C)C[C@@H]1CCCCN1C(=O)C[C@H](CC#N)c1ccccc1 476292789 MYNGZTJVWPKVSH-OALUTQOASA-N 312.457 4.501 30 20 DJED C=C(C)[C@@H](NCc1cc(F)ccc1C)c1ccc(F)c(F)c1 479400768 ZZWZAUHLZXIJRT-GOSISDBHSA-N 305.343 4.819 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1ccc(C)c(Cl)c1 481947088 QQMGCAGPBDLPPL-UHFFFAOYSA-N 305.830 4.538 30 20 DJED N#Cc1cc(F)ccc1CSCc1ccc(OC(F)F)cc1 488541904 UAJACQHVFYUQIS-UHFFFAOYSA-N 323.339 4.732 30 20 DJED C=CCOc1ccc(C(=O)N(CC)c2cc(C)cc(C)c2)cc1 490144126 WKWOUHWPTROTMS-UHFFFAOYSA-N 309.409 4.535 30 20 DJED CCCC1CCC(N(C(=O)c2ccc(C#N)cc2)C(C)C)CC1 504831320 OWXWRLZIWPIHBA-UHFFFAOYSA-N 312.457 4.768 30 20 DJED Cc1ccc(-c2csc(CSc3ccc(C#N)cn3)n2)cc1 505664158 RJSMRFTWDCQMBI-UHFFFAOYSA-N 323.446 4.678 30 20 DJED C=CCCC(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 522592635 HAIXMZAVVCPTHH-SFHVURJKSA-N 313.828 4.706 30 20 DJED CCC(C#N)(CC)C(=O)Nc1cccc(Nc2ccccc2)c1 528538028 WAHVYCUXAJWJPW-UHFFFAOYSA-N 307.397 4.699 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc2ncccc2c1)c1ccccc1 535365147 GIWMZAMLVQFQSJ-HNNXBMFYSA-N 302.377 4.533 30 20 DJED CC1(C)CCC[C@H](C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 535915009 ROMZYIRIYIYXRW-FHWLQOOXSA-N 324.468 4.501 30 20 DJED C[C@@H](C#N)CNCc1ccc(-c2ccc(C(F)(F)F)cc2)s1 542694002 IUIJYSNVHMSGNW-NSHDSACASA-N 324.371 4.683 30 20 DJED CC(C)Oc1ccc([C@@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cc1 569055311 FUQSDTMQBGZKGL-QVKFZJNVSA-N 320.436 4.684 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1c(F)cccc1SCC 578702294 UENIKBUHXIQEFX-GFCCVEGCSA-N 308.422 4.510 30 20 DJED Cc1cc(NC(=O)CCCCCC#N)ccc1Oc1ccncc1 588165512 ZVMMQVSJUDJLOQ-UHFFFAOYSA-N 323.396 4.595 30 20 DJED C[C@@H]1C[C@H]1[C@@H](NC(=O)CCCCCC#N)c1ccc(Cl)cc1 588621468 LBXJANGEONLOMX-QBIMZIAESA-N 318.848 4.627 30 20 DJED CC1=Nc2ccccc2C12CCN(CCCCC(C)(C)C#N)CC2 602866999 XBOHTOSXRUYWFA-UHFFFAOYSA-N 323.484 4.846 30 20 DJED Cc1sc(NC(=O)C[C@H](C)c2ccc(F)cc2)c(C#N)c1C 604110707 VUAOSOSCHCKGDA-JTQLQIEISA-N 316.401 4.508 30 20 DJED C=CCCCCCN(C)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 606814575 MYSWOSWKKHJWLA-IAGOWNOFSA-N 305.849 4.648 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NC1(c2ccccc2)CCC1 611469510 GUMGPHXDNUQSQN-HXUWFJFHSA-N 302.421 4.605 30 20 DJED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(C3CC3)cc2)s1 659115004 LZNRJLLQUWPGOD-OAHLLOKOSA-N 324.449 4.808 30 20 DJED O=C(/C=C\c1ccc(-c2ccccc2)o1)c1ccc(O)c(F)c1 728438488 GGRVSOJJYRYCRI-YFHOEESVSA-N 308.308 4.687 30 20 DJED COCCCOc1cccc(/C=C\C(=O)c2cc(C)cc(C)c2)c1 730437777 UXBRJSHACHWIKJ-HJWRWDBZSA-N 324.420 4.615 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1ccc(SC(C)(C)C)cc1C 735172715 PLLXEURUYYELFQ-CYBMUJFWSA-N 306.475 4.972 30 20 DJED Cc1ccccc1C(=O)/C=C/c1ccc(OCC(F)F)cc1 741852136 KRLZFZLYKRDYTD-DHZHZOJOSA-N 302.320 4.535 30 20 DJED COc1ccc(CN[C@@H](c2ccccc2C)C(C)(C)C)cc1C#N 751150949 BYKMYHOOYHRCGO-FQEVSTJZSA-N 322.452 4.752 30 20 DJED CCCCCCCCOCc1nc(-c2c(C)nsc2C)no1 752873300 DIGXIULIHMDWKV-UHFFFAOYSA-N 323.462 4.687 30 20 DJED Cc1ccc2[nH]cc(C=NOc3ccccc3C(F)(F)F)c2c1 754709646 MMOLMQITTAUMNS-UHFFFAOYSA-N 318.298 4.908 30 20 DJED C#CCC(C)(C)C(=O)N1CCC(c2cccc3ccccc23)CC1 767071342 HZSHJTUSEQVPAF-UHFFFAOYSA-N 319.448 4.595 30 20 DJED C=CCCCCNC(=S)Nc1ccc(Cl)cc1Cl 769761139 URIGERXXUNNGAJ-UHFFFAOYSA-N 303.258 4.636 30 20 DJED C#CCCCCN[C@H](C)c1ccc(-c2ccccc2OC)cc1 773039449 HFULCACMLSIUBE-QGZVFWFLSA-N 307.437 4.816 30 20 DJED C=CCC[C@@H](CCC)Nc1ccc(OCc2noc(C)n2)cc1 777686123 MERFHLWPFMPTAY-OAHLLOKOSA-N 315.417 4.504 30 20 DJED O=C(/C=C\c1ccccc1C(F)(F)F)c1ccnc(Cl)c1 779461094 VGTCCQDVVBFFSH-WAYWQWQTSA-N 311.690 4.650 30 20 DJED C#CCCCCCC(=O)N[C@H](C)c1cccc(Cl)c1Cl 779913680 JTURHQCBONVMAR-GFCCVEGCSA-N 312.240 4.754 30 20 DJED C=CCCCCCSCc1nnc(-c2cccc(F)c2)o1 783488917 YCPIIJHJSSUYSR-UHFFFAOYSA-N 306.406 4.855 30 20 DJED CCCC(=NNc1ncccc1C(F)(F)F)c1ccsc1 785454187 XSQWPJZXIXEATP-UHFFFAOYSA-N 313.348 4.778 30 20 DJED Cc1cccc(Cl)c1OC(=O)C[C@H](CC#N)c1ccccc1 796691260 XOBPPVQDIYGWRY-HNNXBMFYSA-N 313.784 4.641 30 20 DJED CC(C)CC[C@H](NCc1cc(C#N)ccc1F)c1ccoc1 796825265 FGASSESJPZZHEW-SFHVURJKSA-N 300.377 4.557 30 20 DJED CC(C)c1c(Cl)ncnc1NN=C1CC[C@H]1c1ccccc1 797405283 ZSFKPIOTEQFJIS-ZDUSSCGKSA-N 314.820 4.599 30 20 DJED C#CC[C@H](N[C@H]1CCC[C@H](c2ncccc2C)C1)c1ccccc1 798930896 CLLYYETULAMQEQ-ACRUOGEOSA-N 318.464 4.770 30 20 DJED C=CCCCCCCNC(=O)Nc1c(C)cc(N(C)C)cc1C 806365087 NPYQOJPLQYJNQD-UHFFFAOYSA-N 317.477 4.627 30 20 DJED CC(=NNc1ccc2ccccc2n1)c1c(F)cccc1Cl 807944820 QQBZEDQLJOONOJ-UHFFFAOYSA-N 313.763 4.863 30 20 DJED Clc1ccc(C2=CCC(=NNC[C@@H]3CCSC3)CC2)cc1 834979836 MCJJMLXREVGXKD-ZDUSSCGKSA-N 320.889 4.606 30 20 DJED COc1cccc(N(C(=O)CCCCCC#N)c2ccccc2)c1 891284624 CEDUMDKXHPOBDH-UHFFFAOYSA-N 322.408 4.834 30 20 DJED CC(C)[C@H](Nc1ccc(OCC#N)cc1)c1cc(F)ccc1F 1116876295 TZYBGBZWXDONEC-SFHVURJKSA-N 316.351 4.676 30 20 DJED C[C@H](Nc1ccc(OCC#N)cc1)[C@@H](C)c1ccc(Cl)cc1 1116878423 XINSMIYSARJIDC-KGLIPLIRSA-N 314.816 4.846 30 20 DJED CCc1ccc([C@H](C)C(=O)O[C@H](C)c2cccc(C#N)c2)cc1 1127022030 UWVPRLZHWHAXIV-LSDHHAIUSA-N 307.393 4.529 30 20 DJED CC(C)[C@H](C)C(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@H](C)CC2 1129355767 LHTSXJFDHKLDAO-WOPDTQHZSA-N 304.459 4.536 30 20 DJED Cc1ccc(Nc2nc(C)c(C#N)cc2Cl)cc1OC(F)F 1162584350 HDHRSCSPPFSEES-UHFFFAOYSA-N 323.730 4.569 30 20 DJED CN(Cc1ccc(F)c(C#N)c1)[C@H]1CCCC[C@@H]1c1ccccc1 1171169462 HIUMCPXHTMAETD-CTNGQTDRSA-N 322.427 4.856 30 20 DJED CC(C)[C@H]1CCc2ccccc2[C@H]1NCc1ccc(C#N)c(F)c1 1180623108 MTXSSZCTKQBJOZ-NQIIRXRSSA-N 322.427 4.747 30 20 DJED C=C(CNc1nc(C)nc2sc(CC)cc12)c1ccccc1 1186639897 SMVROGGNQOVVGT-UHFFFAOYSA-N 309.438 4.687 30 20 DJED C[C@@H]1CC[C@@H](c2ccccc2)N(CCc2ccc(C#N)cc2)C1 1194222033 PCGQAYIHCFOBAN-UTKZUKDTSA-N 304.437 4.574 30 20 DJED N#Cc1cc(-c2nnc(-c3cccc(Cl)c3)o2)ccc1Cl 1253812760 WBARTGKJEVBHHI-UHFFFAOYSA-N 316.147 4.582 30 20 DJED N#CC[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 1264302306 WDAQDKFTXMUNEG-ZDUSSCGKSA-N 319.191 4.629 30 20 DJED C[C@@H]1C[C@@H](CC(=O)NC2(c3cccc(C#N)c3)CC2)CC(C)(C)C1 1272177162 HALYEYVSTMPNDS-WBVHZDCISA-N 324.468 4.516 30 20 DJED C[C@@H]1CCc2ccccc2[C@@H]1Nc1nc(C(C)(C)C)ccc1C#N 1307083680 KHZRMUKFMIMZJG-AUUYWEPGSA-N 319.452 4.986 30 20 DJED N#Cc1ccc(CN[C@H]2CCC[C@@H](c3ccccc3)C2)c(F)c1 1308743068 YVKJMDOMSCJHGU-MJGOQNOKSA-N 308.400 4.513 30 20 DJED N#C[C@H]1CCC[C@@H](OC(=O)c2cc3c(Cl)cccc3s2)C1 1436650638 YPEPSOMHPRMRAW-WDEREUQCSA-N 319.813 4.794 30 20 DJED CCCCN(C(=O)c1cc(C#N)ccc1F)[C@H](C)c1ccccc1 1456770794 LFAQDHWZHSVBKJ-OAHLLOKOSA-N 324.399 4.701 30 20 DJED CCc1ccc([C@@H](C)CC(=O)O[C@H](C)c2cccc(C#N)c2)cc1 1457765384 ZBDXKLHXASKTQW-JKSUJKDBSA-N 321.420 4.919 30 20 DJED Cc1ccc(C(C)(C)CNc2ncc(Cl)c(C)c2C#N)cc1 1472686960 MQOZVZRLSNLQQH-UHFFFAOYSA-N 313.832 4.613 30 20 DJED C=C(CNC(=O)C[C@@H](CC)c1ccc(C)cc1)c1ccccc1 1527972330 FWCHCSVKDJAJOT-GOSISDBHSA-N 307.437 4.708 30 20 DJED N#CCc1ccccc1C(=O)Nc1ccc(-c2ccccc2)cc1 1540396354 CHKHHEKINOVFFR-UHFFFAOYSA-N 312.372 4.672 30 20 DJED Cc1c(C#N)c(S[C@H](C)c2ccccc2F)nc2c1CCC2 1559342174 SIYYCZBTXFQTCR-GFCCVEGCSA-N 312.413 4.743 30 20 DJED N#Cc1c(CSc2nccc3ccccc23)cn2ccccc12 1559431115 WJOPHDJOXMKBPH-UHFFFAOYSA-N 315.401 4.651 30 20 DJED C[C@]1(c2ccccc2)CCCN(Cc2ccc(C#N)s2)CC1 1559829935 FDJPSRMWNZIQBQ-IBGZPJMESA-N 310.466 4.564 30 20 DJED CC(C)[C@@H]1CCC[C@H](Nc2c(Br)cccc2C#N)C1 1611953375 XEDVMQVRPYMZQK-OCCSQVGLSA-N 321.262 4.947 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1cc(C)c(Cl)cc1C 1632936303 LTDGTOOFDDPEFE-UHFFFAOYSA-N 320.864 4.749 30 20 DJED Cc1ccc2sc(NCc3ccc(C#N)c(F)c3)nc2c1C 1640029161 MQTPFJMXFJECSK-UHFFFAOYSA-N 311.385 4.536 30 20 DJED CCc1ccc(C2CCN(Cc3cccc(C#N)c3)CC2)cc1 1644047003 SAEDCBVGIVLMMK-UHFFFAOYSA-N 304.437 4.500 30 20 DJED C[C@H](Sc1nc2ncc(Cl)cc2o1)c1ccc(C#N)cc1 1644259628 NTLMIUOPARVCPP-VIFPVBQESA-N 315.785 4.601 30 20 DJED C[C@H](Cc1ccc(F)cc1Cl)N[C@H](C)c1cccc(C#N)c1 1653099986 FBOSNKFLWPUFJT-CHWSQXEVSA-N 316.807 4.633 30 20 DJED N#CCC[C@@H](Nc1nc2cccc(F)c2s1)c1ccccc1 1655296459 DXAGTJPIAYFUHG-CQSZACIVSA-N 311.385 4.892 30 20 DJED Cc1nc(N[C@@H](C)C2(c3ccccc3)CCCC2)ccc1C#N 1655385250 OOSZPICDIBPJQX-INIZCTEOSA-N 305.425 4.574 30 20 DJED N#C[C@@H]1CC[C@H](N[C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)C1 1658379513 YQCQIXINZKLVKG-WCZJQEMASA-N 302.849 4.648 30 20 DJED Cc1csc(NC(=O)NC(CC(C)C)CC(C)C)c1C#N 1671651775 YFZDONKFPQJGIC-UHFFFAOYSA-N 307.463 4.511 30 20 DJED CC(C)CC[C@@H](NC(=O)Nc1cccc(C#N)c1)C(C)(C)C 1673021951 INFVUWIDEWNZQO-MRXNPFEDSA-N 301.434 4.531 30 20 DJED N#Cc1ccccc1CSc1ccccc1Br 36961436 OBZMJKUTDQQWEM-UHFFFAOYSA-N 304.212 4.613 30 20 DJED CCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 46443341 GTBKNLYYNAQLEB-CYBMUJFWSA-N 318.829 4.830 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)CC1=CCCCC1 66801915 KDKDLNRXMBPHJO-CQSZACIVSA-N 314.454 4.910 30 20 DJED CCCCCCCC(=O)N1CCC(OC2CCCCC2)CC1 123301237 WCKUEROTOKBOOM-UHFFFAOYSA-N 309.494 4.687 30 20 DJED N#Cc1cccc(/C=C/C(=O)c2cccc(-c3ccncc3)c2)c1 125551629 YNKOFYBLYFLEAX-BQYQJAHWSA-N 310.356 4.516 30 20 DJED Cc1cccc(N[C@H](C)c2cccc(C#N)c2)c1Br 131398981 CJTKMYIKNCFAPY-GFCCVEGCSA-N 315.214 4.802 30 20 DJED COc1ccc(CSCCCC#N)cc1SC(F)(F)F 190958879 VUAOCYUQMMQSHX-UHFFFAOYSA-N 321.389 4.844 30 20 DJED Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1cccc(F)c1F 209923517 KFUKANOSWRAXAI-HJWRWDBZSA-N 321.392 4.923 30 20 DJED C[C@H]1C[C@H](C(O)=Nc2cccc(OC3CCCC3)c2)CCC1=O 328918197 SAXOXRBWKRQWPS-UONOGXRCSA-N 315.413 4.601 30 20 DJED Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2cc(C#N)cs2)cc1 437705936 VKMWITQESOURFM-KBXCAEBGSA-N 324.449 4.542 30 20 DJED CC(C)c1cc(Br)ccc1N[C@H]1CC[C@@H](C#N)C1 442859322 USURBXCROBQIDD-YPMHNXCESA-N 307.235 4.677 30 20 DJED CC(C)(c1noc(-c2cccc(C#N)c2)n1)c1ccccc1Cl 445681714 LJPXYDYKADGZGD-UHFFFAOYSA-N 323.783 4.588 30 20 DJED C[C@@H]1CCCCN1Cc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1 463304843 WRQPHKXOLQCJCE-KPFFTGBYSA-N 311.473 4.555 30 20 DJED C=CCCN(C)C(=O)Nc1cccc(COC(C)(C)CC)c1C 466574712 DCTSMKPBVISGIA-UHFFFAOYSA-N 318.461 4.740 30 20 DJED C[C@H](Nc1ccc(Cl)c(C#N)n1)c1cc2cccc(F)c2o1 473915145 UCNQCNXXOMZGMA-VIFPVBQESA-N 315.735 4.665 30 20 DJED C=CCC[C@H](C(=O)NCC1CCC(F)(F)CC1)c1ccccc1 501178700 VDEMCGVGPGJRAW-KRWDZBQOSA-N 321.411 4.678 30 20 DJED CCN(C(=O)CCCC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 504330040 XIZVBVXAZCJAHG-OAHLLOKOSA-N 300.446 4.684 30 20 DJED CCSc1cccc(NC(=O)c2cc(C#N)ccc2Cl)c1 512951186 MLFOSWQJUJBQJD-UHFFFAOYSA-N 316.813 4.576 30 20 DJED N#Cc1ccc(CNc2cccc(CCC(F)(F)F)c2)c(F)c1 532567711 ILUDWLMCLVWOJD-UHFFFAOYSA-N 322.305 4.804 30 20 DJED N#Cc1ccc(Cl)c(C(=O)N2CCCC[C@@H]2c2ccccc2)c1 552434010 MOUUUWWZOSDAID-GOSISDBHSA-N 324.811 4.579 30 20 DJED C=CCCCN(C)C(=O)Nc1cc(Cl)ccc1OC(C)C 567432478 XWIITEATPKQGGU-UHFFFAOYSA-N 310.825 4.557 30 20 DJED O=C(/C=C\c1ccc(OCC(F)F)cc1)c1cccc(F)c1F 588386968 ZBIXRRVZPMMEON-TWGQIWQCSA-N 324.273 4.505 30 20 DJED C[C@H]1CC[C@@H](C(F)(F)F)CN1CCC1(C#N)CCCCC1 591026242 WXDUVLILMWWYPF-UONOGXRCSA-N 302.384 4.513 30 20 DJED C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1ccc(C(F)F)nc1 658037442 WQPVCPIWECEJQU-WMLDXEAASA-N 316.395 4.857 30 20 DJED CCCc1nc(CON=Cc2ccc(C(C)C)cc2)cs1 725790698 ACNOJPDAZNUDBS-UHFFFAOYSA-N 302.443 4.770 30 20 DJED CCOc1ccc(/C=C\C(=O)c2cccc(C)c2C)cc1OC 734305348 RGZDPCHLEBIALX-LUAWRHEFSA-N 310.393 4.607 30 20 DJED CCCCCCCC(=O)O[C@H](C)c1nc(-c2ccccc2)no1 744769580 QNVCHHYPQNVDPL-CQSZACIVSA-N 316.401 4.701 30 20 DJED C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1O 747063198 DVOGBVBTAAJRIS-CSKARUKUSA-N 322.404 4.642 30 20 DJED O=[N+]([O-])c1cc(Cl)ccc1NN=Cc1ccccc1C1CC1 751131135 RNSIPMLOQHZXFJ-UHFFFAOYSA-N 315.760 4.572 30 20 DJED C=CC[C@@H]1N(C(=O)CCCc2ccsc2)CCCC1(C)C 767227632 HVQPICPRIMOGPP-INIZCTEOSA-N 305.487 4.664 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2ccc(F)cc2C(F)(F)F)cc1 771839552 WVUQJMFTNJVXEL-SOFGYWHQSA-N 319.257 4.612 30 20 DJED Cc1ccc(CCC=NNc2ccc(Cl)cc2Cl)cn1 774343075 IBRGWTJMYYWAFT-UHFFFAOYSA-N 308.212 4.727 30 20 DJED C#CCCCCCC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 779817369 PXABOFDYXFAVQW-FQEVSTJZSA-N 309.453 4.639 30 20 DJED CC(=O)Nc1ccc(C(=O)/C=C/c2ccc3ccccc3c2)cc1 781553161 MYNHAHWCUIFRHN-NTUHNPAUSA-N 315.372 4.694 30 20 DJED Cc1ccc(C(=O)/C=C\c2cnc(-c3ccco3)s2)cc1C 788096247 AEQXFIKHPUOCFO-FPLPWBNLSA-N 309.390 4.916 30 20 DJED CCOc1cccc(/C=C\C(=O)c2ccc(C#N)cc2Cl)c1 788360400 JVFOTMCAMGBABP-CLFYSBASSA-N 311.768 4.506 30 20 DJED CC(=NNc1ccc(C)nn1)c1ccccc1SC(C)(C)C 788430532 XFRISJSJEPFUFK-UHFFFAOYSA-N 314.458 4.512 30 20 DJED N#Cc1c(F)cccc1/C=C\C(=O)c1ccccc1C(F)(F)F 811685674 ZJPJJASZDDTBIR-HJWRWDBZSA-N 319.257 4.612 30 20 DJED Oc1ccccc1/C=N\[C@H]1CCSc2ccc(Cl)cc21 839388182 UQAGEIRVMRUONI-KPYNCUPYSA-N 303.814 4.702 30 20 DJED N#C[C@H](C(=O)CCC1CCCCCC1)c1cnc2ccccc2n1 847694029 CCLIQBFEJKXWRY-INIZCTEOSA-N 321.424 4.557 30 20 DJED C[C@H](C#N)OCCSCc1ccc(Cl)c(C(F)(F)F)c1 853773544 HQCUHCJKNZYHQD-SECBINFHSA-N 323.767 4.521 30 20 DJED CCCCN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915353707 WHMPURVXKDUDNC-LJQANCHMSA-N 321.424 4.606 30 20 DJED Cc1cc(OCCc2c(Cl)cccc2Cl)ccc1C#N 1166102787 YJCYZXUBOSVVEF-UHFFFAOYSA-N 306.192 4.795 30 20 DJED Cc1ccc([C@H](C)N(C)Cc2ccccc2C(C)(C)C#N)cc1 1167037311 ARGUHQRGXDQZAD-KRWDZBQOSA-N 306.453 4.989 30 20 DJED CC(C)[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc(C#N)cc1 1178440225 JWELFCMEQVNULM-PZJWPPBQSA-N 304.437 4.608 30 20 DJED Cc1ccccc1[C@@H](CC(F)(F)F)N[C@@H](C)CC(C)(C)C#N 1308725465 ZLYCYTCYCQKJOV-DZGCQCFKSA-N 312.379 4.907 30 20 DJED Cc1nc(C(C)C)sc1[C@@H](C)Nc1ccc(OCC#N)cc1 1324966351 QTOYCWCXDJHSHZ-GFCCVEGCSA-N 315.442 4.650 30 20 DJED Cc1nc(CON=Cc2ccc(C(C)(C)C)cc2)c(C)s1 1341038201 GTCGIDYSIQZWTG-UHFFFAOYSA-N 302.443 4.608 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)C2C[C@H]3CCC[C@H](C2)C3)n1 1343347881 BDGPVQOKGCQBPJ-YDHLFZDLSA-N 316.470 4.659 30 20 DJED CC[C@@H](C)c1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 1353272575 VOKWYWQPFGKREE-CABCVRRESA-N 306.409 4.563 30 20 DJED CC[C@@H](CC1CCCC1)C(=O)N(CCC#N)c1ccc(C)cc1 1442736383 VWTJTTPAIVHBQK-SFHVURJKSA-N 312.457 4.848 30 20 DJED C[C@H](OC(=O)c1ccc(OC(C)(C)C)cc1)c1ccc(C#N)cc1 1457192907 QMGIRQUVLFMHNS-AWEZNQCLSA-N 323.392 4.654 30 20 DJED Cc1cccc(C2(CNc3cc(C)c(C#N)cn3)CCCCC2)c1 1458104668 IHNRTOPDCSNERA-UHFFFAOYSA-N 319.452 4.884 30 20 DJED C[C@@H]1CCc2sc(NC(=O)C3CC(C)(C)C3)c(C#N)c2[C@@H]1C 1524031076 RVHFXVORHIWHGF-GHMZBOCLSA-N 316.470 4.680 30 20 DJED CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 1528625447 GQSQSJJBLLNUCW-LSDHHAIUSA-N 322.408 4.971 30 20 DJED Cc1ccc(C(=O)O[C@H](C)c2oc3ccccc3c2C)cc1C#N 1528876019 AHQTYBRZEYVJOE-CQSZACIVSA-N 319.360 4.839 30 20 DJED Cc1ccc(C[C@@H]2CCCN([C@@H](C)c3ccc(C#N)cc3)C2)cc1 1559512685 YHTVBVXIEJFDIM-RXVVDRJESA-N 318.464 4.882 30 20 DJED Cc1cc(C#N)nc(N[C@H](CC2CCCCC2)c2ccccc2)n1 1611915196 VJUBLKYSOFBTRA-LJQANCHMSA-N 320.440 4.780 30 20 DJED CC(C)CN(CCC#N)C(=O)c1ccc(C(C)(C)C)c(Cl)c1 1631265834 OJUCMKBXTYSDIE-UHFFFAOYSA-N 320.864 4.649 30 20 DJED N#Cc1ccc(CCSc2ccc(Br)cc2)cc1 1640720943 PJJLLXAVPZNYKU-UHFFFAOYSA-N 318.239 4.656 30 20 DJED Cc1ccc(-c2cccc(CNc3nc(C)ccc3C#N)c2)cc1 1642441810 QRMZVZQADTTYRO-UHFFFAOYSA-N 313.404 4.849 30 20 DJED Cc1ccc(C#N)c(N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)n1 1642815159 SOMFBZWYCZMRDW-WMLDXEAASA-N 311.816 4.663 30 20 DJED Cc1cc(C)c2nc(N[C@H](C)c3ccc(C#N)cc3)sc2c1 1651434292 SIWAFIMXUINSRJ-CYBMUJFWSA-N 307.422 4.958 30 20 DJED CCc1ccc(CC)c(C(=O)CSc2ccc(C#N)cc2)c1 1651768465 PNCWMLLTBIEVBQ-UHFFFAOYSA-N 309.434 4.658 30 20 DJED C[C@@H]1CN(CCC2(C#N)CCCCC2)c2cccc(Cl)c2O1 1654400795 FYJWBIBMYITPAI-CQSZACIVSA-N 318.848 4.791 30 20 DJED COc1ccc(CNc2cc(C#N)ccc2C)cc1C(C)(C)C 1656390462 FWODOILLLBNROH-UHFFFAOYSA-N 308.425 4.785 30 20 DJED COc1ccc(CNc2ccc(CC#N)cc2)cc1C(C)(C)C 1661026879 AJPUSSUHFDATDA-UHFFFAOYSA-N 308.425 4.671 30 20 DJED CC[C@@H](NCc1ccc(C#N)c(C)c1)C(C)(C)c1ccccc1 1661540591 XUMILMNRJQJOTF-HXUWFJFHSA-N 306.453 4.713 30 20 DJED C[C@H](CCC1CCCCC1)NC(=O)Nc1ccc(F)c(C#N)c1 1674180195 FPSOMXSJWJIVDU-CYBMUJFWSA-N 317.408 4.568 30 20 DJED CC(C)Cc1ccccc1/C=C/C(=O)c1csc(C(=O)O)c1 1776341291 PMJZWTCBABDNJV-BQYQJAHWSA-N 314.406 4.541 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)NCCC(C)(C)C 66955867 MQSZCFBJFLTDGM-CYBMUJFWSA-N 319.474 4.639 30 20 DJED CC(C)(C#N)CCCOc1ccc(Br)cc1Cl 87608969 VEIQVVZLMVEKCQ-UHFFFAOYSA-N 316.626 4.811 30 20 DJED CCCCS[C@@H](C)C(=O)Nc1ccccc1SCCC#N 108200575 JXQXGLUCIOEVHI-ZDUSSCGKSA-N 322.499 4.553 30 20 DJED C=CCC[C@@H](NC(=O)N(C)[C@@H](C)c1ccco1)c1ccccc1 160443588 XEGKGKQFJUQXMO-DOTOQJQBSA-N 312.413 4.690 30 20 DJED Cc1cccc([C@H]2CCCN2C(=O)Nc2cccc(C#N)c2)c1C 174443255 SKZAAFBSGSGAOH-LJQANCHMSA-N 319.408 4.544 30 20 DJED COc1ccc([C@@H](N[C@@H](C)c2ccc(C#N)cc2)C(C)C)cc1 181420036 HCQGMWBXRSMEDE-YWZLYKJASA-N 308.425 4.615 30 20 DJED C=CCCCC(=O)Nc1cccnc1-c1ccc(Cl)s1 187126151 AJGAFANYUZZJDN-UHFFFAOYSA-N 306.818 4.758 30 20 DJED C=CC[C@H](C(=O)Nc1cccc(C(F)F)c1)c1ccccc1 187404416 IXLFIXJJXJAQLH-INIZCTEOSA-N 301.336 4.923 30 20 DJED N#CCC[C@@H](NCc1cnc(-c2ccco2)s1)c1ccccc1 193175849 NBUMDHMSNDSGBM-MRXNPFEDSA-N 323.421 4.538 30 20 DJED Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1cccc(C#N)c1 206513873 XYOBAMVSCVDCFP-HJWRWDBZSA-N 310.422 4.517 30 20 DJED O=C(/C=C\C1=Cc2ccccc2OC1)c1ccc(Cl)s1 207873979 HPLZIMLXVWQALU-WAYWQWQTSA-N 302.782 4.616 30 20 DJED CC[C@H]1CCCC[C@H]1Nc1ccc(C#N)c(Br)c1 228180746 UVFSAROECZDMMT-XHDPSFHLSA-N 307.235 4.701 30 20 DJED C[C@H](NCCCC(C)(C)C#N)c1ccc(Oc2cccnc2)cc1 289375506 IRABRDUVWJHXGH-INIZCTEOSA-N 323.440 4.854 30 20 DJED N#Cc1ccc(NCc2cc3ccccc3[nH]2)cc1C(F)(F)F 301186694 VIILZPWKDUWJCA-UHFFFAOYSA-N 315.298 4.670 30 20 DJED N#Cc1c(Cl)nsc1Nc1cccc(CC(F)(F)F)c1 301967216 WEHQXVIJRLEPTF-UHFFFAOYSA-N 317.723 4.517 30 20 DJED N#Cc1cnc2ccccc2c1NCc1cccc2ccccc12 303081906 DSRZKVWVWYBPCM-UHFFFAOYSA-N 309.372 4.872 30 20 DJED Cc1ccccc1Oc1cc(Br)c(C#N)cc1F 310734324 OLHWXNNYLOHFGP-UHFFFAOYSA-N 306.134 4.561 30 20 DJED C=CCC[C@@H](N[C@H](C)c1ncc[nH]1)c1ccc(C(F)(F)F)cc1 353616590 BNXLWUDDJSRSPM-IUODEOHRSA-N 323.362 4.787 30 20 DJED C[C@@H]1C[C@@H]1c1ccc(CNc2ccc(C#N)c(C(F)(F)F)c2)o1 390385773 ZKLHJGNQRKRTIX-YGRLFVJLSA-N 320.314 4.906 30 20 DJED N#CCOc1ccc(NC(c2ccccc2)c2ccccc2)cc1 391791775 XNNIQFWOVLNJGL-UHFFFAOYSA-N 314.388 4.790 30 20 DJED CCC1(CNC(=O)c2ccccc2-c2ccccc2C#N)CCC1 438475147 XGSWXBCUPKRUQH-UHFFFAOYSA-N 318.420 4.535 30 20 DJED N#C[C@@H]1CC[C@@H](Nc2cccc(Cl)c2SCC(F)F)C1 442851744 GJAJMCSTSVZQHU-NXEZZACHSA-N 316.804 4.801 30 20 DJED CC(C)(CN[C@@H]1CCC[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 446811886 FDCMGUNHPOISGY-XJKSGUPXSA-N 324.390 4.655 30 20 DJED Cc1cc(COc2ccc(Oc3nccs3)cc2)ccc1C#N 447316859 JDLQRTOAYYETMR-UHFFFAOYSA-N 322.389 4.695 30 20 DJED CC(C)(CCC#N)CN[C@H]1CC[C@H](c2cccc(Cl)c2)C1 449771483 JVFPQQQBJFIEGN-RDJZCZTQSA-N 304.865 4.896 30 20 DJED C[C@H](CCN[C@@H]1CCC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 463246651 RTZATEXYNKKOLA-JKIFEVAISA-N 324.390 4.871 30 20 DJED C=CC[C@H](C(=O)Nc1ccc2ccccc2n1)c1ccccc1 487798216 NNHIYKAABXOVNS-KRWDZBQOSA-N 302.377 4.533 30 20 DJED C=C(C)CN(CC)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 503389670 ZQEXHGWSAMNDSW-KRWDZBQOSA-N 302.462 4.772 30 20 DJED N#CC1(C(=O)Nc2cccc(-c3cccs3)c2)CCCCC1 505903603 JEXMXFRZDIRWES-UHFFFAOYSA-N 310.422 4.828 30 20 DJED CCCC[C@@H]1CCC[C@@H]1NCc1cccc(OCCCC#N)c1 520963382 FWMLEHFRJZWRMC-QUCCMNQESA-N 314.473 4.818 30 20 DJED CC(C)[C@H](CC1CCCC1)C(=O)N[C@H](C)c1ccc(C#N)cc1 523816862 HCCJVBCMMTXCMO-BEFAXECRSA-N 312.457 4.588 30 20 DJED N#Cc1ccc(SCc2ccc(Cl)cc2[N+](=O)[O-])c(F)c1 525117097 GJLUPNRCFBOVRG-UHFFFAOYSA-N 322.748 4.551 30 20 DJED CC(C)C[C@H](NCc1ccc(F)cc1C#N)c1cccs1 543485980 PMZBQNOHZQLKBD-INIZCTEOSA-N 302.418 4.636 30 20 DJED CC[C@H](C)n1c(S[C@H](C)CCC#N)nnc1-c1ccccc1 551423460 GTVNRLZMYQDUOF-UONOGXRCSA-N 314.458 4.700 30 20 DJED N#C[C@H]1CC[C@@H](N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)C1 559150418 WCHYPSOHHCKWMR-SWLSCSKDSA-N 321.251 4.775 30 20 DJED C=CCC[C@H](N[C@@H]1CCO[C@H](C(CC)CC)C1)c1ccco1 560550017 SUUQPFHXQBCMRL-AOIWGVFYSA-N 305.462 4.860 30 20 DJED Cc1ccc(-c2cc(CSCCC(C)(C)C#N)on2)cc1 571359899 VAXCIIXDRSJJFR-UHFFFAOYSA-N 300.427 4.823 30 20 DJED C=CCC(C)(C)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 576592759 YKPDJYHSWDXDQI-ZDUSSCGKSA-N 314.454 4.590 30 20 DJED Cc1cc(N2CCCCCC2)ccc1N[C@H]1CCC[C@H](C#N)C1 586795028 ZJSBIBIHDSWWDN-ROUUACIJSA-N 311.473 4.870 30 20 DJED CCC(CC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604457139 XUPWIWQPDSAQFD-UHFFFAOYSA-N 308.381 4.725 30 20 DJED C=CCC[C@H](C(=O)NCC(=C)c1ccccc1)c1ccccc1 672480673 CPAUFYCAQSIFGX-FQEVSTJZSA-N 305.421 4.566 30 20 DJED CCc1nc([C@H](C)/N=C/c2c(O)ccc3ccccc23)cs1 731939126 YVYANNQCFFTOBF-NJDFMEINSA-N 310.422 4.744 30 20 DJED C=CCn1c(SCc2ncc(C(C)C)o2)nc2ccccc21 733208057 XXDWPHNBIPOIMN-UHFFFAOYSA-N 313.426 4.626 30 20 DJED CCCCCCCCCC(=O)Nc1ccc2c(c1)NC(=O)CC2 741721825 RRYHKAJQTYRFHC-UHFFFAOYSA-N 316.445 4.651 30 20 DJED CCC(=NN=C1c2ccccc2-c2ccccc21)C1CCOCC1 745197940 CFJJRYOYSMEQAF-UHFFFAOYSA-N 318.420 4.697 30 20 DJED Cc1cc2cc(C(=O)/C=C\c3ccc(C#N)s3)oc2cc1C 749133409 ZHFSOGILZIYZRN-WAYWQWQTSA-N 307.374 4.879 30 20 DJED CCC1(C)C/C(=C/c2cccnc2)C(=O)/C(=C\c2cccnc2)C1 751517987 QNJFZHWZXUQOQQ-BJPQZVBLSA-N 318.420 4.723 30 20 DJED CC(/C=C/C(=O)c1cc(F)ccc1[N+](=O)[O-])=C\c1ccccc1 752874776 MMSLICGRZXUYFG-CWOSXULZSA-N 311.312 4.576 30 20 DJED CCc1cnccc1C(C)=NNc1c(Cl)cccc1Cl 765583550 JLIWOSHYGVGSKZ-UHFFFAOYSA-N 308.212 4.787 30 20 DJED CC1(C)C[C@@H](NN=C2CCC(C3CCCCC3)CC2)CCO1 766478977 VRIZIMNOWAGKSI-DAFXYXGESA-N 306.494 4.660 30 20 DJED C[C@@H]1CC[C@H](C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)C1 776513351 XSGLNCCEEYDMDI-SCVCMEIPSA-N 318.829 4.562 30 20 DJED C=CCCN(C)C(=O)Nc1cccc(OCc2ccc(C)cc2)c1 786113854 IGWVGRIVLAZVFV-UHFFFAOYSA-N 324.424 4.614 30 20 DJED N#CC[C@@H](CC(=O)Oc1ccc2ccccc2c1)c1ccccc1 792867854 OMNCTZKKVJKBDW-IBGZPJMESA-N 315.372 4.833 30 20 DJED CC(C)n1nccc1/C=C1\CCCc2ccc(Cl)cc2C1=O 794942841 QQRDDEUMEPPUKF-GXDHUFHOSA-N 314.816 4.720 30 20 DJED N#CCC1(CN[C@@H]2CCCc3cc(SC(F)F)ccc32)CC1 797587108 PRCUMXIKMMUAQD-OAHLLOKOSA-N 322.424 4.662 30 20 DJED Cc1c([C@@H](C)Nc2nc(Cl)c(C#N)s2)oc2ccccc12 804357238 AUSVBHFAEZIOJT-SECBINFHSA-N 317.801 4.896 30 20 DJED C=C(Cl)COc1ccc([C@H](C)NCC(C)(C)CCC#N)cc1 806178374 SPVOIZUNWKYUPN-HNNXBMFYSA-N 320.864 4.798 30 20 DJED CC(/C=C\C(=O)c1cccnc1)=C/c1ccccc1OC(F)F 811685328 PGABAGYOHXDMFX-KJAVDWBKSA-N 315.319 4.525 30 20 DJED N#C[C@H](C(=O)CCCC1CC1)c1nc2cc(Cl)ccc2s1 813061110 SFWUUINXBDYEDX-GFCCVEGCSA-N 318.829 4.706 30 20 DJED C[C@H](CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1)C1CCCCC1 842943795 YWOMPQWCZUQVTB-IUODEOHRSA-N 316.470 4.803 30 20 DJED C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCCO2 850447393 JPUVKHNJVNCNBE-OXJNMPFZSA-N 320.436 4.707 30 20 DJED Oc1ccc2ccccc2c1C=Nc1ccc(OC(F)F)cc1 920943208 RWGOOJZCFKCNJG-UHFFFAOYSA-N 313.303 4.897 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)CCC(C)(C)C 1124959131 RLDQEHQIGMYSSY-INIZCTEOSA-N 314.473 4.759 30 20 DJED CCC(CC)N(C(=O)Cc1ccc(C#N)cc1)c1cccc(C)c1 1128618715 WEZZEVDZCUTFOW-UHFFFAOYSA-N 320.436 4.631 30 20 DJED CC(C)(C)c1ccc(C#N)c(N(Cc2cccc(F)c2)C2CC2)n1 1184947785 SPSTXNNCDPSRBY-UHFFFAOYSA-N 323.415 4.559 30 20 DJED Cc1cc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)ncc1C#N 1185365189 CCCYNEJDSFDIBU-PZPSRYQVSA-N 311.816 4.724 30 20 DJED CCSc1ccc(CNc2nc(C)c(C#N)cc2Cl)cc1 1187454315 JFVKRPHFQICHOE-UHFFFAOYSA-N 317.845 4.639 30 20 DJED Cc1ccc(NCc2cc(C#N)cs2)cc1OCCC(C)C 1200648387 PYYABVYFGVUBGE-UHFFFAOYSA-N 314.454 4.965 30 20 DJED CC[C@H](Cc1ccc(C)cc1)N[C@@H]1CCCc2cc(C#N)ccc21 1206329014 RPGADLYPAQJJLE-IFMALSPDSA-N 318.464 4.855 30 20 DJED CCC[C@H]1CCCC[C@H]1CNC(=O)c1ccc(Cl)c(C#N)c1 1275983444 LTNVIKHEXURRGV-ZFWWWQNUSA-N 318.848 4.548 30 20 DJED C[C@@H]1C[C@H](NCc2cc(C#N)cs2)C[C@@H](c2ccccc2)C1 1308438565 SCFCTKDECVIZQM-WBAXXEDZSA-N 310.466 4.682 30 20 DJED Cc1ccc([C@H]2[C@@H](C)CCCN2Cc2ccc(C#N)cc2F)cc1 1308588454 OPRULEALTGSCKW-HRAATJIYSA-N 322.427 4.979 30 20 DJED CCC(C#N)(CC)C(=O)Nc1ccc2c(c1)oc1ccccc12 1354116456 SLWGXIPZURCKFI-UHFFFAOYSA-N 306.365 4.854 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1coc2ccc(Cl)cc12 1435385686 MZJLJIKIQBDRLQ-UHFFFAOYSA-N 310.740 4.519 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)c3ccsc3)c2C#N)[C@@H](C)C1 1436485208 UHHLBMVDVZGUAS-UWVGGRQHSA-N 316.451 4.619 30 20 DJED C[C@]1(CCc2ccccc2)CCN(Cc2ccc(C#N)cc2F)C1 1461916195 CBKZUXHHCZLJLL-NRFANRHFSA-N 322.427 4.542 30 20 DJED C[C@H](c1ccc(F)cc1F)N1CC=C(c2ccc(C#N)cc2)CC1 1559715078 QHBDKLDDPFSIBG-CQSZACIVSA-N 324.374 4.687 30 20 DJED COc1ccccc1[C@@H](CC(C)C)OC(=O)c1ccc(C#N)cc1 1584072095 SCUBHGQLVDIRNY-LJQANCHMSA-N 323.392 4.511 30 20 DJED C[C@H]1CC(C)(C)c2cccc(NC(=O)c3cc(C#N)ccc3F)c21 1584948327 VGLTUQXNMYEONZ-LBPRGKRZSA-N 322.383 4.734 30 20 DJED Cc1ccnc(NCc2ccccc2Oc2ccccc2)c1C#N 1642166005 WPBQIJHKDMJWNC-UHFFFAOYSA-N 315.376 4.666 30 20 DJED N#Cc1nc(N[C@@H](C2CCCCC2)C2CCC2)sc1Cl 1651180288 UMOUZBSZEQGNTP-ZDUSSCGKSA-N 309.866 4.829 30 20 DJED N#Cc1cccnc1Nc1cccc(-c2nc3ccccc3o2)c1 1651504708 WXRCARWUGKCTNB-UHFFFAOYSA-N 312.332 4.505 30 20 DJED CC[C@H](c1ccccc1)[C@H]1CCCN1c1cccc(F)c1C#N 1651600663 ZSLHZDUWQTZCQL-VQIMIIECSA-N 308.400 4.860 30 20 DJED C=C(Br)CN[C@@H]1CCCC[C@@H](c2ccccc2)C1 1655563412 JRDZGKQDKNEBPB-HZPDHXFCSA-N 308.263 4.601 30 20 DJED CCC1CCC(N(C)Cc2ccc(C#N)cc2OC(F)F)CC1 1657490316 TVNYJIZTVLQLJA-UHFFFAOYSA-N 322.399 4.560 30 20 DJED C[C@H]1C(=NNc2ccc(-c3ccccc3)cc2)CC[C@H]1CC(=O)O 1776059817 MJVRDYBVYQJNNK-PBHICJAKSA-N 322.408 4.642 30 20 DJED CC(C)(C)c1ccc(/C=C\C(=O)c2ccc(C(=O)O)s2)cc1 1776272528 XOHWQTXOKBNJES-TWGQIWQCSA-N 314.406 4.640 30 20 DJED N#Cc1cc(NCc2cccc(C(F)(F)F)c2)ccc1Cl 35224465 XAFCKMSSSAMQSP-UHFFFAOYSA-N 310.706 4.843 30 20 DJED CC[C@](C)(C#N)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 136166761 YFPDYMFVCGCLNF-GFCCVEGCSA-N 305.592 4.525 30 20 DJED O=C(/C=C\c1cccc(F)c1F)c1cccc(C(F)(F)F)c1 209917227 RJNQIHKMAINXDI-FPLPWBNLSA-N 312.237 4.880 30 20 DJED Cc1c(Br)cccc1N[C@@H](C)c1cccc(C#N)c1 226037324 SWLFIOWDZBRPGI-LBPRGKRZSA-N 315.214 4.802 30 20 DJED N#Cc1cccc(C(=O)/C=C\c2cnc(-c3cccs3)s2)c1 255622043 VZNPEXRWXPNRBY-SREVYHEPSA-N 322.414 4.639 30 20 DJED C=CCC[C@H](N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccco1 286026347 IYLYEMPBNHNGHX-BJLQDIEVSA-N 311.425 4.797 30 20 DJED CCN(CCCCC1CCOCC1)[C@@H](C)c1ccc(C#N)cc1 410333061 OQMPSGDEEGMQAZ-KRWDZBQOSA-N 314.473 4.538 30 20 DJED CSc1cc(C)ccc1NC(=O)C[C@@H](CC#N)c1ccccc1 413892392 FKTZIHBOSOJBRM-MRXNPFEDSA-N 324.449 4.743 30 20 DJED N#CC1(CCCSCC2CCC(F)(F)CC2)CCOCC1 419601421 JJBDYLMBSQXKJP-UHFFFAOYSA-N 317.445 4.646 30 20 DJED Cc1cc2c(cc1C)[C@@H](NCc1ccc(C#N)s1)CCS2 421878993 MTGCJAZXJJCANV-INIZCTEOSA-N 314.479 4.563 30 20 DJED C=CCC(C)(C)c1nc(-c2ccc(Oc3ccccc3)nc2)no1 427641167 DXTSDMKQKYCTPX-UHFFFAOYSA-N 321.380 4.778 30 20 DJED C[C@H]1C[C@@H](CC(F)(F)F)[C@@H](C)N1CCCCC(C)(C)C#N 451142699 GNOXXBHVTBFPLE-MJBXVCDLSA-N 304.400 4.758 30 20 DJED C=CCOc1ccc(CN[C@H](c2ccccc2)C(F)(F)F)cc1 462817458 GWWMAUMYZSQYPH-QGZVFWFLSA-N 321.342 4.645 30 20 DJED C=CCC1(C(=O)NCC(c2ccccc2)c2ccccc2)CCC1 478266820 BIKFHXXJCXUNBB-UHFFFAOYSA-N 319.448 4.681 30 20 DJED C=C(C)CNC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1 488643539 LGFRMGWYKIEZCD-MRXNPFEDSA-N 308.425 4.632 30 20 DJED CCCC[C@@H](CC)Cn1cc(C#N)c(=O)c2cc(Cl)ccc21 502832628 IFQAOZUAOZNBQV-CYBMUJFWSA-N 316.832 4.743 30 20 DJED CC(C)(C#N)CCN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 511095023 ZJQVTKRONZGGRS-HNNXBMFYSA-N 324.390 4.825 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1cc2ccccc2n1CC 515970036 PJDLAAAZHBINJX-UHFFFAOYSA-N 324.449 4.551 30 20 DJED C[C@@H]1CCc2c(sc(NC(=O)C3CCCCCC3)c2C#N)C1 523585244 YMEGSMJAQXLPKG-GFCCVEGCSA-N 316.470 4.653 30 20 DJED CC(C)CCc1nc(CSc2ccccc2C#N)cs1 525084248 DGJUWQANPYESRX-UHFFFAOYSA-N 302.468 4.896 30 20 DJED C=C[C@@H](CC(=O)NC[C@H](C)c1cccc(C)c1)c1ccccc1 535451768 XXWIOZUYKBTLIL-ROUUACIJSA-N 307.437 4.575 30 20 DJED Cc1ccc(F)cc1-c1noc(-c2ccc(C(C)(C)C#N)cc2)n1 571085130 IVCMWQIIOIFYJZ-UHFFFAOYSA-N 321.355 4.652 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)Cc2cccc(C3CC3)c2)cc1 583308553 FOJHAAMMRDCEEH-UHFFFAOYSA-N 318.420 4.546 30 20 DJED COc1ccccc1-c1ccc(/C=C\C(=O)c2ccncc2)cc1 588386363 KCYQTCBKHQYICQ-FLIBITNWSA-N 315.372 4.653 30 20 DJED C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2csc(Cl)c2)cc1 588558963 PLBGFSZHASUMNE-MEQVVJDKSA-N 317.797 4.588 30 20 DJED CC[C@H](C)Sc1ccc(-c2noc(CC(C)(C)C#N)n2)cc1 592414253 GYXQXZSVWRXHJW-LBPRGKRZSA-N 315.442 4.719 30 20 DJED Cc1cc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)c(C)s1 603528991 KDTNMRSMJHGVLG-UHFFFAOYSA-N 312.438 4.539 30 20 DJED C[C@@H](CC1CCCCC1)C(=O)N(CCC#N)c1ccc(F)cc1 609622414 BHRUBELXJNDCCV-HNNXBMFYSA-N 316.420 4.679 30 20 DJED Cc1ccccc1[C@H](C)c1noc(/C=C/c2ccccc2C#N)n1 612980700 WERWRCAVJDIXGB-RUMSDORHSA-N 315.376 4.572 30 20 DJED C=C(CNCc1c(OC)ccc2ccccc12)c1ccccc1 620756925 VTLGTNOVGOPNQB-UHFFFAOYSA-N 303.405 4.651 30 20 DJED C=C[C@H](CC(=O)Nc1ccc(F)cc1NC1CC1)c1ccccc1 677566501 FVOCRNMDTRQRQS-CQSZACIVSA-N 324.399 4.698 30 20 DJED CCn1nc(C)c(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1C 727975167 AZOAHNYXSMDVJV-SOFGYWHQSA-N 323.223 4.723 30 20 DJED C#Cc1ccc(C(=O)Nc2ccc(S[C@@H](C)CC)cc2C)cn1 728819844 LPBWMICORGUKCD-AWEZNQCLSA-N 324.449 4.514 30 20 DJED Cc1cccc2nc([C@@H](C#N)C(=O)C[C@H](C)C3CCCCC3)[nH]c12 735788679 KQIQTMVZLINBIG-HOCLYGCPSA-N 323.440 4.654 30 20 DJED C=CCCNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 740874435 SIPCSRDHZZNMGV-UHFFFAOYSA-N 312.800 4.779 30 20 DJED Cc1cc(F)ccc1/C=C/C(=O)c1ccc(OC(F)F)cc1 750897636 ZFSHDLOEBGJVSF-WEVVVXLNSA-N 306.283 4.632 30 20 DJED C#CC[C@@H](NCc1csc(-c2ccsc2)n1)c1ccccc1 756997541 WZYNLXLZBYPOTO-QGZVFWFLSA-N 324.474 4.726 30 20 DJED CC(=O)Nc1cccc(C(=O)/C=C\c2c(C)oc3ccccc23)c1 759073440 NNBLNIJSVMXUSU-KHPPLWFESA-N 319.360 4.596 30 20 DJED CC(C)c1ccc2c(c1)C(=O)/C(=C\c1nc(Cl)cs1)CO2 759075766 JFYUYHLQDWLMQF-WDZFZDKYSA-N 319.813 4.579 30 20 DJED C=CCN(C(=O)Nc1ccc(COc2ccccc2)cc1)C(C)C 774141054 NEGIUSKXKMHOMI-UHFFFAOYSA-N 324.424 4.694 30 20 DJED CC(=NNc1cc(Cl)ccn1)c1sc(C(C)(C)C)nc1C 777906501 YKHBHQJITDILSK-UHFFFAOYSA-N 322.865 4.634 30 20 DJED O=C(/C=C\c1sc2ccccc2c1Cl)c1cncs1 787172935 SCEKYDHLCNUVNN-WAYWQWQTSA-N 305.811 4.907 30 20 DJED CC(=NNc1ncccc1C)c1ccc(SC(F)F)cc1 790191582 WVVPTPWDVSCQMT-UHFFFAOYSA-N 307.369 4.541 30 20 DJED Cc1cccc(C(=O)/C=C\c2ccc(-c3cnn(C)c3)s2)c1C 800793251 INVKYIIPZAUDCL-CLFYSBASSA-N 322.433 4.662 30 20 DJED CCCC(=NNc1nc(-c2ccccc2)cs1)c1ccccn1 814769402 NYPHTNKYYSTKPA-UHFFFAOYSA-N 322.437 4.821 30 20 DJED CCCC(=CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1)CCC 842940774 JIUZOWWKGLYPBG-CQSZACIVSA-N 302.443 4.723 30 20 DJED O=C(/C=C/c1ccc(-n2cccn2)cc1)c1ccc2ccccc2c1 884003422 RVELKLMCFXXFBN-MDWZMJQESA-N 324.383 4.922 30 20 DJED C=C[C@](C)(CC)c1nc(-c2ccsc2C(F)(F)F)no1 904924134 MEMDTNYHVLWYIZ-GFCCVEGCSA-N 302.321 4.671 30 20 DJED CC(C)CCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915085805 ONXLEJXYHHLXFP-IBGZPJMESA-N 306.409 4.717 30 20 DJED CC(=NNc1cc(C)c2ccc(C)c(C)c2n1)c1cccc(O)c1 916543841 WXHSJTUFMCYQBF-UHFFFAOYSA-N 319.408 4.702 30 20 DJED C[C@]1(CCc2ccccc2)CCN(Cc2ccc(F)cc2C#N)C1 1167599653 XMYRNOOCYKAUCO-NRFANRHFSA-N 322.427 4.542 30 20 DJED N#CCc1ccc(CN2CC=C(c3cccc(Cl)c3)CC2)cc1 1193991355 STEHQUXMRVZKPQ-UHFFFAOYSA-N 322.839 4.695 30 20 DJED Cc1nnc(SC2CCC(c3ccccc3)CC2)c(C#N)c1C 1307201563 BFVXTGNLXRFRNL-UHFFFAOYSA-N 323.465 4.784 30 20 DJED Cc1coc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1C 1325287154 ORXFIDVIJFUUNY-GFCCVEGCSA-N 314.410 4.543 30 20 DJED N#Cc1ccc(COc2c(F)cc(Cl)cc2Cl)c(F)c1 1459136205 HODLIXIMHRDFMA-UHFFFAOYSA-N 314.118 4.722 30 20 DJED N#CCc1cccc(NCc2cnc(-c3cccs3)s2)c1 1461513333 ISPBUHAUCQXNPZ-UHFFFAOYSA-N 311.435 4.550 30 20 DJED CCCC[C@@H]1CCC[C@H]1Nc1nc(C(F)(F)F)ccc1C#N 1472685655 XCERTDMYAXEMGN-DGCLKSJQSA-N 311.351 4.743 30 20 DJED Cc1cc(C)c(/C=C/CN(C)Cc2cccc(C#N)c2)c(C)c1 1474401663 QYBFCFZKCICNJI-RMKNXTFCSA-N 304.437 4.629 30 20 DJED CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 1518341699 BZPUVWXBWJSBSQ-LSDHHAIUSA-N 322.408 4.971 30 20 DJED CC1(C)CCC(CC(=O)N(CCC#N)c2ccc(F)cc2)CC1 1542899081 PKRSWZJAJBMPEH-UHFFFAOYSA-N 316.420 4.679 30 20 DJED Cc1ccc(-c2noc(CSc3ccc(C#N)c(C)c3)n2)cc1 1559429053 FWRKHJJRYCHFDE-UHFFFAOYSA-N 321.405 4.517 30 20 DJED C[C@@H](CNc1cccc(C#N)c1)c1cccc(Br)c1 1560724615 PKZAMYAIOYNKAE-LBPRGKRZSA-N 315.214 4.536 30 20 DJED Cc1ccc(Cl)c2c1N(Cc1ccc(F)c(C#N)c1)CCC2 1618381165 OMLJPMHDNDGHGS-UHFFFAOYSA-N 314.791 4.612 30 20 DJED CC[C@@H](C#N)C(=O)N(Cc1cccc2ccccc12)C1CCCC1 1627949566 OZDCUZVPFUEFAN-INIZCTEOSA-N 320.436 4.661 30 20 DJED CC1(C)CCCC[C@H]1Nc1nccc(Oc2cccc(C#N)c2)n1 1639614165 ACTHZIHPTPMJJX-MRXNPFEDSA-N 322.412 4.521 30 20 DJED N#Cc1cccc(CN(Cc2ccsc2)c2ccccc2)c1F 1642243716 JHKSSZUHHNXVQO-UHFFFAOYSA-N 322.408 4.966 30 20 DJED CC(C)(C)[C@@H]1Cc2ccccc2N(Cc2ccc(F)c(C#N)c2)C1 1644144136 GOGCGXCETDJRSD-GOSISDBHSA-N 322.427 4.922 30 20 DJED N#Cc1ccc2c(c1)CCCN2C/C=C\c1ccc(Cl)cc1 1653730707 UDAHMSCNHMUEBP-IWQZZHSRSA-N 308.812 4.678 30 20 DJED COc1cc(CN2CCC[C@H]2CCC2CCCC2)ccc1C#N 1657229024 JRQJPLSZAPCCHO-IBGZPJMESA-N 312.457 4.502 30 20 DJED C[C@@H](CCC#N)CN1CCc2ccccc2[C@H]1Cc1ccccc1 1657392780 RRIAZGZCHPNRPK-PGRDOPGGSA-N 318.464 4.768 30 20 DJED CC(C)=CCC[C@H](C)CC=NNc1ccc(C(=O)O)c(F)c1 1776073076 BIQYDPQDNWCVKF-ZDUSSCGKSA-N 306.381 4.694 30 20 DJED CCCCCCCCCCCN(C)c1cc(C(=O)O)ccn1 1776787781 XRLKSUDZZRQYKZ-UHFFFAOYSA-N 306.450 4.747 30 20 DJED Cc1ccc(C[C@@H](C#N)Sc2ccnc3ccccc23)cc1 68054163 OKVZYQGIYSLAQP-INIZCTEOSA-N 304.418 4.770 30 20 DJED Cc1c([C@H](C)NCc2cc(C#N)ccc2F)oc2ccccc12 90117540 PJHHZCDRBVJTRW-ZDUSSCGKSA-N 308.356 4.603 30 20 DJED CCOc1cccc(C(=O)/C=C/c2cc3cccc(OC)c3o2)c1 109324323 BRHDDWQSHTYWBZ-ZHACJKMWSA-N 322.360 4.736 30 20 DJED C[C@@H](CC(=O)[C@@H](C#N)c1nc2ccccc2o1)C1CCCCC1 171330351 UTBCHHQRTYFNMD-DZGCQCFKSA-N 310.397 4.611 30 20 DJED C[C@H](NCc1ccc(OCC#N)cc1)c1ccc2ccccc2c1 194886921 YQRDEADKJXKAFH-INIZCTEOSA-N 316.404 4.593 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)cc1 220084523 HNVIAQXQDHDRJN-WTKPLQERSA-N 307.176 4.898 30 20 DJED CC[C@@H](CC#N)NCc1ccc2c(c1)c1ccccc1n2CC 236909588 NYKBSUZLRGOUGB-INIZCTEOSA-N 305.425 4.596 30 20 DJED Cc1ccc(-c2ccc(CNc3ccc(CC#N)cc3)o2)cc1 237725831 DXWYMXFDIIYATB-UHFFFAOYSA-N 302.377 4.933 30 20 DJED C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(Oc2cccnc2)cc1 287160120 BRUJTVYSBZTNON-XYJFISCASA-N 321.424 4.607 30 20 DJED N#Cc1ccc(N2CCC[C@H]2c2nc3ccccc3s2)cc1 301058716 DIPMIRLTXWCEHT-INIZCTEOSA-N 305.406 4.509 30 20 DJED C[C@@H](Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(C#N)cc1 301616195 VQMICSKHWVNBAC-GFCCVEGCSA-N 323.396 4.994 30 20 DJED CC(C)c1nc([C@H](C)/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)n[nH]1 329204184 XMJIGMJDCNOUGV-BYNSBNAKSA-N 318.465 4.552 30 20 DJED C[C@@H]1C(=O)CC[C@H](C(O)=Nc2nc(C(C)(C)C)cs2)C1(C)C 329824370 BLPQUBQOYZQEGP-GHMZBOCLSA-N 322.474 4.670 30 20 DJED CC(C)c1ccc(N/C(O)=N/[C@@H]2CCC[C@H]2C#N)c(C(C)C)c1 330900298 QMOOHHKHVFXTSN-DOTOQJQBSA-N 313.445 4.952 30 20 DJED Cc1cc(C)c(N/C(O)=N/[C@@H](C)c2ccc(C)c(F)c2)c(C)n1 331339922 SAGUBNCLKNZOPW-ZDUSSCGKSA-N 315.392 4.541 30 20 DJED Cc1c(C#N)cccc1NC(=O)[C@@H](CC(C)C)c1ccccc1 432346606 LHDKZRZNFIJNSX-SFHVURJKSA-N 306.409 4.635 30 20 DJED CC(C)(C)[C@@H](NC(=O)Nc1cccc(CC#N)c1)c1ccccc1 455921551 PNJHEVNRFJIRPP-SFHVURJKSA-N 321.424 4.662 30 20 DJED N#C[C@@H]1CCC[C@@H](Nc2cccc(-c3ccc4c(c3)CCO4)c2)C1 463238243 PPXMRBZIPJVSHK-DNVCBOLYSA-N 318.420 4.783 30 20 DJED CC(C)Sc1ccc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)cc1 463304708 SDAJSZPSTHCRBU-ZMSDIMECSA-N 302.487 4.920 30 20 DJED N#CCSCCCNC1(c2ccc(Cl)cc2)CCCCC1 467193034 XPYZCOZRERARTF-UHFFFAOYSA-N 322.905 4.736 30 20 DJED CCCC[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)C1CCC1 476305383 OFRBSOZZOABNEC-OALUTQOASA-N 312.457 4.549 30 20 DJED C[C@@H](CCNC(=O)C[C@@H](CC#N)c1ccccc1)CC(C)(C)C 476924009 FKGBAJLXDMAEHT-FUHWJXTLSA-N 314.473 4.653 30 20 DJED C=CCSc1ccccc1C(=O)Nc1ccc2ncccc2c1 485766298 KFLLQEWRFMPREG-UHFFFAOYSA-N 320.417 4.765 30 20 DJED Cc1ccc(-c2ncc(/C=C\c3ncccc3C#N)s2)cc1 485977438 ALHOZDSYLWUCDA-HJWRWDBZSA-N 303.390 4.556 30 20 DJED C=CCCCCCN(C)C(=O)Nc1c(C)cc(OC)c(C)c1C 495006958 HHYTWTICOFRKRS-UHFFFAOYSA-N 318.461 4.831 30 20 DJED C[C@H](N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc(C#N)cc1F 512655315 SXGWEOVZNWHXTB-BOUXLOLZSA-N 308.400 4.684 30 20 DJED CC(C)(C#N)CCCN1CCC(=Cc2cccc(F)c2)CC1 532793022 IWOYPVOYPKKBDQ-UHFFFAOYSA-N 300.421 4.635 30 20 DJED C=CCCO[C@@H](C)c1nc(-c2ccc(SC)cc2Cl)no1 545802700 UIJHQDYBUYGZPA-JTQLQIEISA-N 324.833 4.766 30 20 DJED C=C(CC)CS[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F 552971593 GLHROXGCBCSHOH-NSHDSACASA-N 317.376 4.732 30 20 DJED C=CCC(C)(C)c1noc(-c2ccc(-c3ccco3)nc2C)n1 556365354 SDNAJQARMJLLPL-UHFFFAOYSA-N 309.369 4.554 30 20 DJED CC(C)(C#N)CCCCN1CC[C@@](F)(c2cc(F)cc(F)c2)C1 556506894 XNZNXUXOYDRAIJ-SFHVURJKSA-N 324.390 4.555 30 20 DJED N#C[C@H]1CC[C@H](N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)C1 559150419 WCHYPSOHHCKWMR-WFASDCNBSA-N 321.251 4.775 30 20 DJED C=CCC[C@@H](C(=O)N(C)Cc1sccc1C)c1ccccc1 574102772 QZFIUURRWQPBLL-QGZVFWFLSA-N 313.466 4.765 30 20 DJED C[C@@H](NCCCCC#N)c1ccc(-c2c(F)cccc2F)cc1 582754603 VABQKCUURUCJHH-CQSZACIVSA-N 314.379 4.976 30 20 DJED CC[C@@H]1CCCN(c2c(C#N)cnc3c(F)ccc(Cl)c23)C1 603850910 WKGALBPFQCTQKN-LLVKDONJSA-N 317.795 4.525 30 20 DJED CC(C)[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 609639040 NETQPDMGRONAMF-ZDUSSCGKSA-N 319.836 4.502 30 20 DJED C[C@H](N[C@@H](C)c1cc2c(s1)CCCC2)c1cccc(C#N)c1 610829834 NXYZSJZTXXJGET-KBPBESRZSA-N 310.466 4.910 30 20 DJED N#Cc1ccc(CN[C@H]2CCCc3ccc(F)cc32)cc1Cl 619755448 XYCIERDGZPJYHD-SFHVURJKSA-N 314.791 4.518 30 20 DJED CCOc1cc(/C=C\C(=O)c2cc(C)cc(C)c2)ccc1OC 730437035 OGUSGGILBNLLFV-VURMDHGXSA-N 310.393 4.607 30 20 DJED O=C1/C(=C\c2cccnc2Cl)CSc2c(Cl)cccc21 731938835 JEQCKHKOBDVMMY-YFHOEESVSA-N 322.216 4.760 30 20 DJED FC(F)(F)c1cccnc1NN=C(CC1CC1)c1ccccc1 735972225 RDJPCUFCARGQFO-UHFFFAOYSA-N 319.330 4.717 30 20 DJED CCCC(=NNc1cccc(C(F)(F)F)n1)c1ccccc1 739421123 DHZAJTVEIHWBPS-UHFFFAOYSA-N 307.319 4.717 30 20 DJED O=C(/C=C/c1ccc(OCC(F)F)cc1)c1ccc(Cl)cc1 741840036 CCTLCIIUAHGUQV-XCVCLJGOSA-N 322.738 4.880 30 20 DJED Cc1ccc(-c2nc(/C=C3/Cc4cc(C)ccc4C3=O)co2)cc1 749890945 DXYAVBXANRLAKW-BOPFTXTBSA-N 315.372 4.781 30 20 DJED FC(F)(F)c1ccccc1ON=Cc1cccc2[nH]ccc12 755816271 NNLOOJITTARRGP-UHFFFAOYSA-N 304.271 4.600 30 20 DJED O=C(/C=C/c1ccc(OC(F)F)cc1)c1ccc(O)c(Cl)c1 768756870 NQAZFLRBEYRXJG-XVNBXDOJSA-N 324.710 4.543 30 20 DJED CC(C)(C)c1nn(-c2ccccc2)cc1/C=C/C(=O)c1ccco1 769769711 CDMHTSSKUVFTOF-VAWYXSNFSA-N 320.392 4.659 30 20 DJED C#CC[C@@H](N[C@@H](C)c1ccc(OC(C)C)cc1)c1ccccc1 773105458 HIABAPAVZSTFTI-LAUBAEHRSA-N 307.437 4.889 30 20 DJED C#CC[C@@H](NCc1ncc(-c2ccc(C)cc2)o1)c1ccccc1 775400179 XFPAIBWWFBCBBV-LJQANCHMSA-N 316.404 4.504 30 20 DJED Fc1cc(NN=C2CCCSc3ccc(Cl)cc32)ccn1 781133386 DYYPRESOSWRGGR-UHFFFAOYSA-N 321.808 4.576 30 20 DJED Cc1ccc(OC(F)F)c(/C=C\C(=O)c2ccnc(Cl)c2)c1 782185259 PKVOKBBVUBVYOB-ARJAWSKDSA-N 323.726 4.541 30 20 DJED C[C@H](C#N)OCCS[C@H](C)c1ccc(Cl)cc1Cl 802750034 VGWHIPNPPQULJX-NXEZZACHSA-N 304.242 4.716 30 20 DJED N#Cc1c(Cl)nsc1Oc1cnc2ccc(Cl)cc2c1 804707703 DTXFWVQLIXSFMX-UHFFFAOYSA-N 322.176 4.662 30 20 DJED CC(C)(C#N)[C@@H]1CCCC1=NNc1ccc(C(F)(F)F)cc1 814882445 OZFPVUNUWYUEHN-CYBMUJFWSA-N 309.335 4.823 30 20 DJED CCCCCCCC(=O)Nc1ccc(N(C(C)=O)C2CC2)cc1 819009745 NVZWGPTVOROGIP-UHFFFAOYSA-N 316.445 4.501 30 20 DJED CC1=C(C)C[C@@H](C(=O)[C@H](C#N)c2nc(C(C)C)cs2)CC1 842730153 VXWSFKDAFSFQSS-KBPBESRZSA-N 302.443 4.579 30 20 DJED CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2CCC3(CC2)CC3)s1 851007051 LLICENIXJJSSLH-ZDUSSCGKSA-N 316.470 4.587 30 20 DJED Cc1ccc(/C=C2\CCCc3ccccc3C2=O)cc1[N+](=O)[O-] 916135016 YRMCLPABNTXASF-LFIBNONCSA-N 307.349 4.506 30 20 DJED O=C(/C=C/c1ccc(OC(F)F)cc1)c1cccc(Cl)c1 916137620 YJKNIQQRYAXXBV-RMKNXTFCSA-N 308.711 4.838 30 20 DJED O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=CC1CCCCC1 916285997 UYJWVCSJPJQDHC-UHFFFAOYSA-N 315.295 4.592 30 20 DJED C[C@H](CC(=O)[C@H](C#N)c1ccc2ccccc2n1)CC(C)(C)C 916848079 ALGHACWRPAJEQO-GDBMZVCRSA-N 308.425 4.873 30 20 DJED CCCCCCCCCC(=O)N1CCC[C@H]1c1cc(C)no1 917172794 BIZVODGVYCGXMZ-INIZCTEOSA-N 306.450 4.787 30 20 DJED CC(C)(C)OCc1ccccc1NCc1ccc(C#N)s1 922551487 RCNCVPKUPYXAOW-UHFFFAOYSA-N 300.427 4.547 30 20 DJED CC[C@H](N[C@H](C)CC(C)(C)C#N)c1nc(C(F)(F)F)cs1 925196333 ZKHGHNXSCKRZER-ZJUUUORDSA-N 319.396 4.531 30 20 DJED CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)[C@@]2(C#N)CC23CCCC3)CC1 1128157343 QLUKVVVKXQYJHH-QINHECLXSA-N 316.489 4.572 30 20 DJED N#C[C@@H]1CCC[C@@H](NCc2ccc(Cl)c(C(F)(F)F)c2)C1 1183146714 ZUAICZWTYZMMEB-ZYHUDNBSSA-N 316.754 4.531 30 20 DJED Cc1nsc(N(C)Cc2ccccc2-c2ccccc2)c1C#N 1185158522 NIBLTUNSDUALDQ-UHFFFAOYSA-N 319.433 4.627 30 20 DJED CC[C@@H]1CCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)[C@@H]1C 1310783657 OXXDLEXVHIQABP-VXGBXAGGSA-N 319.474 4.570 30 20 DJED N#Cc1ccccc1/C=C\c1nnc(-c2ccc3ccccc3c2)o1 1328405229 FVSGVPYWZYBEPK-QXMHVHEDSA-N 323.355 4.932 30 20 DJED Cc1sc(NC(=O)[C@@H]2CCC[C@H]2c2ccccc2)c(C#N)c1C 1347708364 CILCKBGNIBHHQI-JKSUJKDBSA-N 324.449 4.759 30 20 DJED N#Cc1ccc(CN2Cc3ccccc3-c3ccccc3C2)s1 1459403977 GAGDAXKNVVCEDM-UHFFFAOYSA-N 316.429 4.803 30 20 DJED CC1(C)CN(CCC2(C#N)CCCCC2)[C@@H]1c1cccs1 1460195864 IZCJVIRADPZKNO-MRXNPFEDSA-N 302.487 4.995 30 20 DJED N#CC1(CC(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)CCCCC1 1539325352 MATJCUJMTXRIKO-RBUKOAKNSA-N 324.468 4.693 30 20 DJED C=C(Br)CN(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 1559591401 ZGGRIMJGGJMMMG-NWDGAFQWSA-N 316.670 4.672 30 20 DJED Cc1cc(C)cc(C2=CCN(Cc3ccc(F)cc3C#N)CC2)c1 1559657277 BIVTZBDTPVNZGR-UHFFFAOYSA-N 320.411 4.604 30 20 DJED N#Cc1csc(CN[C@H]2CCCC[C@H]2Cc2ccccc2)c1 1560311039 GQUFEKVJOSRWKO-HKUYNNGSSA-N 310.466 4.511 30 20 DJED CCSCc1ccc(NCc2ccc(C#N)cc2F)cc1 1560837699 ZHHYYSGUFKIOMB-UHFFFAOYSA-N 300.402 4.563 30 20 DJED Cc1cccc(-c2ccc(CNc3snc(C)c3C#N)cc2)c1 1612010461 IPSWAWCVZAOABV-UHFFFAOYSA-N 319.433 4.911 30 20 DJED CC[C@H](C)[C@H]1CCCCN1Cc1ccc(C#N)cc1OC(F)F 1615600660 MGYDHCLCTNHVOW-XJKSGUPXSA-N 322.399 4.560 30 20 DJED COc1cc(C#N)ccc1CN1CCCCC[C@H]1c1ccc(C)o1 1615634072 BEJFNZXTQXWMOD-SFHVURJKSA-N 324.424 4.586 30 20 DJED CCN(C(=O)C[C@@H](CC#N)c1ccccc1)c1cccc(C)c1F 1624747869 WOIVIENNVOAPBR-QGZVFWFLSA-N 324.399 4.575 30 20 DJED Cc1nsc(SCc2c(Cl)cccc2Cl)c1C#N 1642169530 RFNDEBXQEBVCGE-UHFFFAOYSA-N 315.250 4.922 30 20 DJED Cc1cc(NCc2ccc(OC3CCCCC3)cc2)ncc1C#N 1650715927 FXADNHUFXUMELE-UHFFFAOYSA-N 321.424 4.585 30 20 DJED CCC[C@@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2 1651676987 JLCTXZNYPNLCRZ-GFCCVEGCSA-N 312.438 4.983 30 20 DJED C=C(Cl)CN1CCC(Sc2ccc(Cl)cc2)CC1 1652941641 WNHBFXIABCINCF-UHFFFAOYSA-N 302.270 4.649 30 20 DJED Cc1cc(CN2[C@@H](C)[C@H](c3ccccc3)C[C@H]2C)ccc1C#N 1658196900 HBABSSHFXWALPY-LLGFUMIMSA-N 304.437 4.633 30 20 DJED C=C(CNC(=O)N(C)[C@H](C)c1ccc(C)cc1C)c1ccccc1 1683122380 YQQOADCMCDYUGD-GOSISDBHSA-N 322.452 4.719 30 20 DJED Cc1c(NN=C2CCC3(CCCCC3)C2)cccc1C(=O)O 1776089864 KIJKVZBYMZJJHS-UHFFFAOYSA-N 300.402 4.596 30 20 DJED N#Cc1cc([N+](=O)[O-])ccc1Oc1cc(Cl)ccc1Cl 3568107 YJIHUPFQDKCUAE-UHFFFAOYSA-N 309.108 4.566 30 20 DJED C[C@@H](Nc1ccc(C#N)cc1F)c1ccc(Br)cc1 44388411 XXSLVTLCPHSOOR-SNVBAGLBSA-N 319.177 4.633 30 20 DJED N#Cc1cccc(NC(=O)N2CCC[C@@H]2CC2CCCCC2)c1 60974957 PDIAQTCPDZLBPF-GOSISDBHSA-N 311.429 4.525 30 20 DJED Cc1ccc(C(=O)/C=C/c2cccc(OCCCC#N)c2)cc1 102598400 YPOMQNKWVQBGIC-FMIVXFBMSA-N 305.377 4.574 30 20 DJED N#CCC[C@@H](NCc1cc2cc(F)ccc2o1)c1ccccc1 130439145 AGBPUPXCIVEXEP-GOSISDBHSA-N 308.356 4.707 30 20 DJED CCc1cc(Br)ccc1NCc1cc(C#N)cs1 148129096 IXWVVCALFKAVLP-UHFFFAOYSA-N 321.243 4.557 30 20 DJED N#CCCN(CC1CC1)C(=O)Nc1ccccc1-c1ccccc1 176788281 QOVIVSLFSYQOPI-UHFFFAOYSA-N 319.408 4.511 30 20 DJED N#Cc1ccc(CNCc2ccccc2Oc2ccccc2)s1 176958377 UNHYQSCMTCASDY-UHFFFAOYSA-N 320.417 4.702 30 20 DJED N#Cc1csc(CNCc2cccc(Oc3ccccc3)c2)c1 177685162 BNTMUNYFYAGSLU-UHFFFAOYSA-N 320.417 4.702 30 20 DJED CC(C)Oc1c(Cl)cccc1NCc1cc(C#N)cs1 177703408 MIGMZWADPKLDCL-UHFFFAOYSA-N 306.818 4.672 30 20 DJED Cc1ccc(-c2ccc(C(=O)Nc3sccc3C#N)s2)o1 180506547 OTZJFEQBXRJMFL-UHFFFAOYSA-N 314.391 4.502 30 20 DJED C=CCN(CCc1ccccc1)C(=O)Nc1ccsc1Cl 189329327 FJRPCGUXAWACBB-UHFFFAOYSA-N 320.845 4.664 30 20 DJED C=CCCCCCSc1nnc(-c2ccccc2OC)o1 195423133 QYJGFAZYLPIUEN-UHFFFAOYSA-N 304.415 4.584 30 20 DJED C[C@@H](Nc1cc(C(F)(F)F)ccc1F)c1cccc(C#N)c1 315745507 QTJMNAOSSZNAFT-SNVBAGLBSA-N 308.278 4.889 30 20 DJED CC[C@@H](NCc1ccc(C#N)s1)c1cccc(Cl)c1F 421871190 FWDSNDDOCTVCBT-CQSZACIVSA-N 308.809 4.653 30 20 DJED CCCc1sc(C(=O)Nc2ccc(F)cc2C#N)cc1CC 433984478 HTELPXXYXOVAKR-UHFFFAOYSA-N 316.401 4.526 30 20 DJED CC(C)(CN[C@@H]1CC[C@@H](C#N)C1)c1c(Cl)cccc1Cl 442874790 NVMBTINLGAVIEM-VXGBXAGGSA-N 311.256 4.553 30 20 DJED CC[C@H](Nc1ccccc1OCC(F)F)c1ccc(C#N)cc1 447586822 OYKXFZUHSZXAKF-HNNXBMFYSA-N 316.351 4.765 30 20 DJED CC[C@@H](Nc1ccc(C)c2ncccc12)c1ccc(C#N)cc1 447602938 WIJVHDDSROJRDI-GOSISDBHSA-N 301.393 4.978 30 20 DJED CC(C)Oc1ccc([C@@H](C)NC2CCC(C)(C#N)CC2)cc1 449092903 VRMJLGBIEARKPM-LSJNQWAISA-N 300.446 4.597 30 20 DJED CCSCc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)cc1 456497592 QGWCLIWRYKRSKT-CQSZACIVSA-N 324.449 4.554 30 20 DJED N#C[C@H](C(=O)c1ccc2sccc2c1)c1nc2ccccc2o1 472389904 TXHHGDFLRIKCSC-CYBMUJFWSA-N 318.357 4.533 30 20 DJED C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccccc1 483915737 ILGNUOKXDWKVOA-CYBMUJFWSA-N 324.449 4.631 30 20 DJED C[C@H](Sc1ccc(C#N)cn1)c1ccc(Br)cc1 487114976 LEKWXIQIZHNCAM-JTQLQIEISA-N 319.227 4.569 30 20 DJED C=CCN(C(=O)c1ccc(Cl)c2ncccc12)c1ccccc1 509150324 HCFOTEBIZCTHFF-UHFFFAOYSA-N 322.795 4.721 30 20 DJED C=CCCc1ccccc1NC(=O)c1ccc2c(c1)CCCC2=O 512779045 NBCCAPHPLLMIRC-UHFFFAOYSA-N 319.404 4.577 30 20 DJED C=C[C@@H](CC(=O)N[C@H](c1cccs1)C1CC1)c1ccccc1 533886810 TXKBOJSAAZNFEX-LIRRHRJNSA-N 311.450 4.675 30 20 DJED C[C@@H](SCC1(C#N)CC1)c1ccc(OC(F)(F)F)cc1 538415533 DDVNDHHGNQIYEY-SNVBAGLBSA-N 301.333 4.683 30 20 DJED C[C@H](NC(=O)C1CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 541998340 OKMSZOFSTSGSSG-HNNXBMFYSA-N 318.420 4.593 30 20 DJED C=CCC(C)(C)c1noc(Cc2ccc(C(F)(F)F)cc2)n1 551470373 PPLRRORYZBCARH-UHFFFAOYSA-N 310.319 4.533 30 20 DJED C[C@@H](c1ccc(C(C)(C)C)cc1)[S@](=O)CCC(C)(C)C#N 558468712 SNOBHJMUBGPMDD-LHSJRXKWSA-N 305.487 4.734 30 20 DJED COc1ccc([C@@H](N[C@H]2CCc3ccc(C#N)cc32)C(C)C)cc1 562096874 WYKHSYLHINDOCE-SFTDATJTSA-N 320.436 4.541 30 20 DJED Cc1c(C(=O)/C=C\c2cccc(OCC#N)c2)oc2ccccc12 730150611 CQUJUJPYBMKCCZ-KTKRTIGZSA-N 317.344 4.540 30 20 DJED CCCCCCCCCN(C)C(=O)N[C@@H](C)c1cccnc1 731119975 WSAITRSNORHHQN-INIZCTEOSA-N 305.466 4.535 30 20 DJED CN(Cc1ccc(OCC#N)cc1)C1CCC(C(C)(C)C)CC1 731212113 UCRSUEXEFBIBQA-UHFFFAOYSA-N 314.473 4.626 30 20 DJED CCCCCCC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 731644303 PXXQEGGWUAVIIX-CQSZACIVSA-N 313.228 4.645 30 20 DJED Cc1ccc(-c2nc(/C=C/C(=O)c3ccc(F)cc3)co2)cc1 748440173 HCOIYPOBCFKVEF-ZHACJKMWSA-N 307.324 4.685 30 20 DJED C#CC[C@H](NCc1cnc(C2CCCC2)s1)c1ccccc1 756997547 XGUQPFIYYBNGIW-SFHVURJKSA-N 310.466 4.655 30 20 DJED Clc1ccc(CCCC=NOCc2cccnc2)cc1Cl 768783314 AYQOIYHZCKNAIN-UHFFFAOYSA-N 323.223 4.914 30 20 DJED CC[C@H](Nc1ccc(OC(F)F)cc1)c1ccc(C#N)cc1 774271947 MQQUKLBWBPPGML-INIZCTEOSA-N 302.324 4.723 30 20 DJED C=CCC[C@@H](C(=O)OCc1ccc(Cl)nc1)c1ccccc1 777670391 WYTODZVZLLXKHD-MRXNPFEDSA-N 315.800 4.528 30 20 DJED C=CCCN(C)C(=O)N[C@@H](c1ccccc1)C1CCCCC1 786107671 UVUYXEUWXOSKIJ-SFHVURJKSA-N 300.446 4.526 30 20 DJED CC[C@H](CC#N)OC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C 787092691 RZMMHXSLVFEXCC-CRAIPNDOSA-N 324.424 4.563 30 20 DJED O=C1/C(=C/c2cscc2C(F)(F)F)Cc2cc(F)ccc21 811692203 WEIKIKOTKYCRCV-RUDMXATFSA-N 312.287 4.728 30 20 DJED CCC(=NNc1cccc(Cl)c1Cl)C1CCOCC1 841643962 DRDXNHOCIQFGAL-UHFFFAOYSA-N 301.217 4.598 30 20 DJED N#C[C@H](C(=O)C1[C@H]2CCCCCC[C@H]12)c1ccc2ccccc2n1 850741677 MVNOLOKSHJAPGW-ULQDDVLXSA-N 318.420 4.627 30 20 DJED O=C(/C=C\c1ccsc1)c1ccc(N2CCCCC2)c(F)c1 916128830 FLHBNDUVHVAUBR-DAXSKMNVSA-N 315.413 4.774 30 20 DJED O=C(/C=C/c1cccnc1)c1ccc(Oc2ccccc2)c(F)c1 917145261 WZCHNAOPVGCSLQ-CSKARUKUSA-N 319.335 4.909 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CC/C=C\c1ccccc1 1129983539 FIEKQELJGBBBAN-KOJMWDNASA-N 318.420 4.571 30 20 DJED C[C@H]1CC(C)(C)c2cccc(NC(=O)[C@]3(C#N)CC34CCCC4)c21 1133932111 ZTPQKFJRYHKDSU-LHSJRXKWSA-N 322.452 4.884 30 20 DJED CC(C)C1(NCCC(C#N)(c2ccccc2)c2ccccc2)CC1 1170508827 XEUPIPWDOCMGIR-UHFFFAOYSA-N 318.464 4.665 30 20 DJED CCCC[C@H](Nc1nc(C(F)(F)F)ccc1C#N)C1CCC1 1185802089 UFWLKLBDIFJYTD-ZDUSSCGKSA-N 311.351 4.743 30 20 DJED CC(C)[C@H]1CCC[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 1197131979 IHKIWSAPHQQTEF-JSGCOSHPSA-N 319.836 4.548 30 20 DJED C[C@H]1CCc2ccccc2[C@@H]1Nc1nc(C(C)(C)C)ccc1C#N 1307083681 KHZRMUKFMIMZJG-IFXJQAMLSA-N 319.452 4.986 30 20 DJED C[C@@H](CC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C1CCCCC1 1357532502 YQIXBYSVAIPARC-INIZCTEOSA-N 324.468 4.656 30 20 DJED CCC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 1359910389 MVQBGWOSGBPEDP-CRAIPNDOSA-N 312.457 4.576 30 20 DJED CC[C@H](c1ccccc1)N(CC)c1nc(C#N)c(Cl)s1 1458146392 RWOIIPCTDKAMSV-CYBMUJFWSA-N 305.834 4.646 30 20 DJED N#Cc1ccc(OCCc2c(Cl)cccc2Cl)c(F)c1 1458997269 KFQNDTISKHLXTE-UHFFFAOYSA-N 310.155 4.626 30 20 DJED N#Cc1cc(F)ccc1CN(C1CC1)[C@H]1CCCc2ccccc21 1459674250 AICIUBBBSLBNDN-NRFANRHFSA-N 320.411 4.739 30 20 DJED C[C@@H](CSc1ccc(C#N)cn1)c1ccc(C(F)(F)F)cc1 1559358221 CAABFZNHNCXSAM-NSHDSACASA-N 322.355 4.868 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1OC(F)F)C1CCCC1 1644426475 JISIPHJGOXIFTN-UHFFFAOYSA-N 322.399 4.560 30 20 DJED Cc1cc(SCCc2c(F)cccc2Cl)ccc1C#N 1652058795 USTLEZCSLZCJRD-UHFFFAOYSA-N 305.805 4.994 30 20 DJED N#C[C@H](CCc1ccccc1)S[C@H]1CCOc2ccccc21 1652717352 IZTQLEMPMAIXER-LPHOPBHVSA-N 309.434 4.768 30 20 DJED Cc1ccc(CCCC=NNc2cccc(C(=O)O)c2C)cc1C 1776087463 DKQSOMMTIXMVBY-UHFFFAOYSA-N 324.424 4.731 30 20 DJED O=C(/C=C/c1cccc(C(F)(F)F)c1)c1ccc(F)cc1F 16388266 MHKRTRGBGZOXNP-QPJJXVBHSA-N 312.237 4.880 30 20 DJED CCCCCCNC(=O)c1ccccc1-c1ccccc1C#N 21203423 HUHLBPPOIJLSJG-UHFFFAOYSA-N 306.409 4.535 30 20 DJED C[C@H](N[C@@H](C)c1ccc(F)cc1Cl)c1ccc(C#N)cc1 37284483 RUGOCIOZICDYIH-RYUDHWBXSA-N 302.780 4.763 30 20 DJED Cc1c(C(=O)Nc2ccccc2C#N)oc2c(Cl)cccc12 68233811 UKGFJXOHIHZISP-UHFFFAOYSA-N 310.740 4.519 30 20 DJED COc1ccc([C@H](C)NCc2cccc(C#N)c2)c2ccccc12 151375177 SNFPSINQVQBCJF-HNNXBMFYSA-N 316.404 4.571 30 20 DJED CC(C)c1ccc(NC(=O)N(C)[C@H](C)CC#N)c(C(C)C)c1 175725288 NGTRTCJSJKBQKY-CQSZACIVSA-N 301.434 4.699 30 20 DJED CC[C@H](CC1CCCC1)C(=O)Nc1ccccc1O[C@H](C)C#N 182104872 AOCLPHSCEYURFQ-GDBMZVCRSA-N 314.429 4.522 30 20 DJED C[C@H](C#N)Oc1ccc(CN[C@H](C)c2cc3ccccc3o2)cc1 191129694 CAKWAUYCETUBOX-HUUCEWRRSA-N 320.392 4.574 30 20 DJED O=C1/C(=C/c2ccc(Cl)s2)CSc2ccc(F)cc21 208804286 AVFZDGBFDKHKJM-VMPITWQZSA-N 310.802 4.913 30 20 DJED C[C@@H](C#N)Oc1ccc(CNc2ccc(C(C)(C)C)cc2)cc1 237706580 LOHWYTCQABPQRM-HNNXBMFYSA-N 308.425 4.887 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C\c1cc(Br)cs1)C2 303308522 QFNWTWPUOPLQON-WDZFZDKYSA-N 319.223 4.641 30 20 DJED O/C(CCc1nc2ccccc2o1)=N/CC1CCC(F)(F)CC1 328803913 LJSDYSUIPNQILG-UHFFFAOYSA-N 322.355 4.542 30 20 DJED C[C@@H]1CCC[C@](C#N)(/N=C(/O)[C@@H]2CCSc3ccccc32)C1 328804641 KJQYEJFFCJXUGV-SIIHOXLZSA-N 314.454 4.695 30 20 DJED N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCSc3c(F)cccc31)CC2 353259288 DVPGRISDRUDELM-QZTJIDSGSA-N 324.424 4.511 30 20 DJED C=CCOc1ccccc1CN[C@H](C)c1ccc(OCC)cc1 390291987 PDXBROUYAKEQLZ-MRXNPFEDSA-N 311.425 4.501 30 20 DJED CC(C)c1ccc(NC(=O)NCC2(CC#N)CC2)c(C(C)C)c1 431187323 OGDDOCSXHRKAJE-UHFFFAOYSA-N 313.445 4.749 30 20 DJED C=CCC[C@H](CCC)Nc1cc(NC(=O)N(C)C)ccc1C 437343939 RFULWEKVYVJREN-HNNXBMFYSA-N 303.450 4.635 30 20 DJED C=CCCCCCSc1nnc(-c2ccccc2OCC)o1 447311750 IPNXBXPLODKUKR-UHFFFAOYSA-N 318.442 4.974 30 20 DJED CC(C)C[C@]1(C)CCCN1C(=O)C[C@@H](CC#N)c1ccccc1 452512374 QAIQDPXHFKGZIP-QUCCMNQESA-N 312.457 4.501 30 20 DJED N#C[C@@H]1CCC[C@H](NCc2ccc(OC3CCCCC3)cc2)C1 463293731 MOTZJKXCNHFICA-MSOLQXFVSA-N 312.457 4.570 30 20 DJED C=CCCN(C)C(=O)N[C@@H](CC1CCCC1)c1ccccc1 467091204 QGZBWFKPDDDWKW-SFHVURJKSA-N 300.446 4.526 30 20 DJED CCn1c2ccccc2c2cc(NC(=O)CC(C)(C)C#N)ccc21 469046287 VGQMQGQMIXCYJB-UHFFFAOYSA-N 319.408 4.693 30 20 DJED C=CCCCCN[C@@H](c1cccnc1)c1cc2ccccc2o1 471578454 RAKNZGAIBSWGEH-FQEVSTJZSA-N 306.409 4.863 30 20 DJED Cc1ccc(Cl)c(NC(=O)C[C@H](CC#N)c2ccccc2)c1 476332453 JZUOIPMHJAOTCB-HNNXBMFYSA-N 312.800 4.675 30 20 DJED CC[C@H](C)CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 478696530 LMICRCWMVOIIKU-HNNXBMFYSA-N 322.408 4.512 30 20 DJED C=C(C)[C@@H](N[C@H]1CCc2c(F)cccc21)c1ccc(F)c(F)c1 480677378 QNJCURIMJCOGJC-RBUKOAKNSA-N 317.354 4.998 30 20 DJED CC(C)(CC1CCCCCC1)NCCCC1(C#N)CCOCC1 499690721 BESYNXYHYWNZFM-UHFFFAOYSA-N 320.521 4.816 30 20 DJED C=C(C)CN(Cc1ccccc1)Cc1ncc(CSC)s1 513343222 LQIDLFPYTXZDBW-UHFFFAOYSA-N 318.511 4.584 30 20 DJED CC[C@H](NCc1cccc(C#N)c1F)c1ccc(Cl)s1 544450132 WISOSSCLONIGOC-LBPRGKRZSA-N 308.809 4.653 30 20 DJED CC(C)c1ccc2occ(C(=O)N(CC#N)c3ccccc3)c2c1 554708388 QNJYTNLYCBWZFQ-UHFFFAOYSA-N 318.376 4.727 30 20 DJED C[C@](C#N)(NC(=O)c1cccc(C2CCC2)c1)C1CCCCC1 567434430 YJBWVSFAWHFTBZ-HXUWFJFHSA-N 310.441 4.546 30 20 DJED CCCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)C 583821001 WWNNQESNQUXJJE-CQSZACIVSA-N 319.474 4.733 30 20 DJED CCCN(C(=O)CCCCCC#N)[C@@H](CC)c1ccccc1 588327795 WYWPHVRHKUWPBU-SFHVURJKSA-N 300.446 4.850 30 20 DJED C=C(C)COc1cccc(NC(=O)C2(c3cccc(C)c3)CC2)c1 589384027 JSTJBGRMAVKNSG-UHFFFAOYSA-N 321.420 4.620 30 20 DJED C=C(C)COc1cccc(NC(=O)N(C)[C@@H]2CCC[C@H](C)C2)c1 589741002 PGOGKZMGOLUVNA-DOTOQJQBSA-N 316.445 4.684 30 20 DJED CC[C@@H](N[C@@H]1CSCc2ccccc21)c1ccc(C#N)cc1 618570506 LYMHJWGRWCYFFV-RTBURBONSA-N 308.450 4.587 30 20 DJED C=C[C@@](C)(CCOC)c1nc(-c2ccc(C(C)(C)C)cc2)no1 685380380 IVTSCWYBKBOBRP-IBGZPJMESA-N 314.429 4.514 30 20 DJED C#CCOc1ccc(NC(=S)Nc2ccc(C(C)C)cc2)cc1 730951676 NHHYNBXIXUEATG-UHFFFAOYSA-N 324.449 4.631 30 20 DJED O=C(/C=C\c1ccc(-c2ccccc2F)s1)c1cncs1 735792432 CWEIJFUDWPMIKE-ALCCZGGFSA-N 315.394 4.907 30 20 DJED CC(=NNc1cccc2cnccc12)c1cnc2ccsc2c1 739410237 QTOHIKIRUIABBN-UHFFFAOYSA-N 318.405 4.681 30 20 DJED C=CC[C@@H](NC(=O)/C=C(\CC)c1ccc(C)cc1)c1ccncc1 741693032 JCBOJAHMYZUPQB-XBVMLYLOSA-N 320.436 4.617 30 20 DJED CC(=NNc1oc(C(C)C)nc1C#N)c1ccc(CC(C)C)cc1 745624132 GMGLPMUNNZKPHM-UHFFFAOYSA-N 324.428 4.704 30 20 DJED Cc1ccc(CCCC(=O)O[C@@H](C)c2ccc(C#N)cc2)s1 750860482 IJCXJPGIJGLJGK-AWEZNQCLSA-N 313.422 4.555 30 20 DJED CC(C)c1ncc(/C=C\C(=O)c2c[nH]c3cc(F)ccc23)s1 758432505 BSDRQYYXOIUXGS-XQRVVYSFSA-N 314.385 4.783 30 20 DJED CC(C)CN(Cc1ccccc1)Cc1ccc(O[C@H](C)C#N)cc1 768671033 XMBAEODQPFMWDY-GOSISDBHSA-N 322.452 4.636 30 20 DJED C#CCCCCC(=O)Nc1ccccc1Oc1ccc(C)cc1 773187778 PNJYJMDWSZYIOQ-UHFFFAOYSA-N 307.393 4.919 30 20 DJED Cn1ncc(Cl)c1/C=C/C(=O)c1ccc(-c2ccccc2)cc1 780175127 IKMGCZLWYQOORC-VAWYXSNFSA-N 322.795 4.637 30 20 DJED C#CCCCCCC(=O)N1CCC[C@@H]1c1ccccc1Cl 780388720 SOPHGUVSMMCBTB-QGZVFWFLSA-N 303.833 4.587 30 20 DJED Cc1c(C(=O)/C=C/c2cccc3ccccc23)cnn1C(C)C 787187640 UGMLUOPVYWFUSK-VAWYXSNFSA-N 304.393 4.822 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1cccc(C2SCCS2)c1 798496206 WCOPSJHWRNFIHN-ZDUSSCGKSA-N 322.499 4.641 30 20 DJED C=CC[C@H](CC)NC(=O)c1c(Cl)ccc(Cl)c1Cl 798550919 ICQFOQYZOAWUKG-QMMMGPOBSA-N 306.620 4.731 30 20 DJED Cc1cccc([C@H]2CCCN2c2nc(Cl)c(C#N)s2)c1C 804499400 CCRWNCBTRIHWAB-CYBMUJFWSA-N 317.845 4.627 30 20 DJED CCCCCCCCCC(=O)N[C@@H](C)c1c(F)cncc1F 804824155 JPRURJUGPDTLFF-ZDUSSCGKSA-N 312.404 4.678 30 20 DJED O=C1/C(=C/c2ccc(C(F)(F)F)cc2)Cc2nc(Cl)ccc21 806577459 RIQBRQGPMUZDOR-JXMROGBWSA-N 323.701 4.576 30 20 DJED C=CC[C@@H]1N(C(=O)CC[C@@H]2CC2(Cl)Cl)CCCC1(C)C 834547586 JGSIDSRLZRSTQQ-OLZOCXBDSA-N 318.288 4.554 30 20 DJED CCCCCCCCC(=O)N(C)[C@@H](C)c1ccc(OC)cc1 890717037 KZUHLHUGDVIEJC-INIZCTEOSA-N 305.462 4.965 30 20 DJED N#CC1(CCCC[S@](=O)Cc2ccc(Cl)s2)CCC1 899383975 DTMLBTSRIXGCCL-IBGZPJMESA-N 315.891 4.514 30 20 DJED CC[C@@H](Nc1cccc(OCCCC#N)c1)c1cccc(C#N)c1 902903383 VCPJCUCSFCQXKE-HXUWFJFHSA-N 319.408 4.804 30 20 DJED CCN(CC)c1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1 916127573 KIKKMZQRLOAKPH-KPKJPENVSA-N 315.363 4.707 30 20 DJED Fc1ccc(NN=Cc2cc3ccccc3nc2Cl)c(F)c1 916248159 OWLWBUJSYCMTOJ-UHFFFAOYSA-N 317.726 4.612 30 20 DJED C/C(=C/C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1)C1CC1 916976711 DMOHUEKHQCNWGX-RCBBPTIPSA-N 322.433 4.651 30 20 DJED N#Cc1c(Cl)nsc1NCc1ccc(-c2ccccc2)o1 917090856 UNVRSIWFTOTJAA-UHFFFAOYSA-N 315.785 4.540 30 20 DJED C=CCCO[C@H](C)C(=O)O[C@@H](C)c1ccc(Cl)cc1Cl 921217934 CJAPWWPQNZZPMY-WDEREUQCSA-N 317.212 4.579 30 20 DJED C[C@@H](c1ccc(Cl)cc1)[C@@H](C)Nc1ccc(OCC#N)cc1 1116878425 XINSMIYSARJIDC-ZIAGYGMSSA-N 314.816 4.846 30 20 DJED CCN(C(=O)CC(C1CCC1)C1CCC1)c1ccc(C#N)cc1 1126429336 VNCYAFZXPCPURK-UHFFFAOYSA-N 310.441 4.518 30 20 DJED N#Cc1ccc(C(=O)NCc2ccc(C3CCCCC3)cc2)cc1 1129180421 FLGOLTXFHMKHPR-UHFFFAOYSA-N 318.420 4.536 30 20 DJED Cc1c(C#N)cccc1NCc1c(Cl)ccc2cccnc12 1178831112 HTZNUHOPHKNMEU-UHFFFAOYSA-N 307.784 4.680 30 20 DJED O=C(/C=C/c1ncc(-c2ccccc2)[nH]1)c1ccc(Cl)s1 1251746902 VCUMJLGENYLJIJ-RMKNXTFCSA-N 314.797 4.688 30 20 DJED C[C@H]1C[C@H](CC(=O)NC2(c3cccc(C#N)c3)CC2)CC(C)(C)C1 1272177159 HALYEYVSTMPNDS-DOTOQJQBSA-N 324.468 4.516 30 20 DJED O=C1/C(=C/c2ncc(-c3ccccc3)[nH]2)Cc2c(Cl)cccc21 1320993327 GXYQRJSFRKZOEJ-JLHYYAGUSA-N 320.779 4.553 30 20 DJED Cc1cc(C)c2c(c1)[C@@H](Nc1ccc(OCC#N)cc1)CCCO2 1323503955 ALIAHBHEQLJIPC-IBGZPJMESA-N 322.408 4.532 30 20 DJED CCc1c(C)sc(NC(=O)[C@H]2CCCCC2(C)C)c1C#N 1358399884 YTZKRGSISNWBMR-CQSZACIVSA-N 304.459 4.646 30 20 DJED C[C@@H](Nc1nc(C#N)c(Cl)s1)c1cc(Cl)ccc1F 1472749980 IYZXLFIXBQEJBF-ZCFIWIBFSA-N 316.188 4.634 30 20 DJED Cc1cc(CN(CC[C@@H]2C[C@H]3CC[C@H]2C3)C2CC2)ccc1C#N 1560692642 MUBUDPPPUWVSTJ-YTQUADARSA-N 308.469 4.657 30 20 DJED CC1(C)C[C@@H](Nc2ccc(Oc3ccccc3)c(C#N)c2)CCO1 1560778907 IBBYQSKJSDTIBO-KRWDZBQOSA-N 322.408 4.720 30 20 DJED Cc1ccc(Cl)c(OCc2ccc(C#N)cc2OC(F)F)c1 1613135797 AAKWPGWTTJTFLY-UHFFFAOYSA-N 323.726 4.701 30 20 DJED CC(C)(C)c1ccc(C#N)c(NCC(C)(C)c2cccs2)n1 1639471095 LAKWJJBITAZPHL-UHFFFAOYSA-N 313.470 4.702 30 20 DJED C[C@@H](C#N)CN(Cc1ccc(Oc2ccccc2)c(F)c1)C1CC1 1642560367 SMACFYWLGAJEQR-HNNXBMFYSA-N 324.399 4.742 30 20 DJED CC1(C)CCc2ccccc2[C@@H](NCCc2ccc(C#N)cc2)C1 1645399050 ZOBHDHREOZPTHQ-NRFANRHFSA-N 318.464 4.794 30 20 DJED C=C(Cl)CN(C)Cc1ccc2c(c1)c1ccccc1n2CC 1652296414 JDDKLBMODGQQFR-UHFFFAOYSA-N 312.844 4.999 30 20 DJED Cc1c(CN(C[C@@H](C)C#N)C2CC2)sc2c(Cl)cccc12 1658438279 ROSBFECFMNYIQH-NSHDSACASA-N 318.873 4.987 30 20 DJED C[C@@H](C#N)Oc1ccccc1NCCc1ccc(C(C)(C)C)cc1 1659186053 FLYAWDRWOPEWAR-INIZCTEOSA-N 322.452 4.930 30 20 DJED Cc1cc(C#N)cc(N[C@H](C)Cc2ccc(C(F)(F)F)cc2)c1 1659445468 ZBJRVULMZKTUQA-CYBMUJFWSA-N 318.342 4.929 30 20 DJED C=C(CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C)c1ccccc1 1675559429 FNCSIWZZIVPQLO-IBGZPJMESA-N 322.452 4.786 30 20 DJED CC[C@H](C)[C@@H]1CCC(=NNc2ccc(Cl)c(C(=O)O)c2)C1 1776033908 WXYISCCXYUUKDH-WDEREUQCSA-N 308.809 4.652 30 20 DJED CC[C@@H](C)c1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc1 1776697828 PILPATBEFWWZOT-YGLIYXGISA-N 308.377 4.794 30 20 DJED Cc1cc(N[C@@H](C)c2ccc(C#N)cc2)ccc1Br 19908101 HNPJBLNDTJLFTR-LBPRGKRZSA-N 315.214 4.802 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1cccc2cccnc12 63750823 JBAVBZRFTGNPAY-UHFFFAOYSA-N 315.420 4.517 30 20 DJED C[C@H](CC1CCCC1)C(=O)Nc1cccc(OCCCC#N)c1 74505665 UUQZWCUBDVZXHZ-OAHLLOKOSA-N 314.429 4.524 30 20 DJED C=C[C@@H](CC(=O)N(c1ccccn1)C1CCCC1)c1ccccc1 90124365 SWQKKRODJYRGQN-KRWDZBQOSA-N 320.436 4.717 30 20 DJED CCCCCCCC(=O)Nc1ccc(SC(=O)N(C)C)cc1 110999909 ZXZOGBPPYHCFSK-UHFFFAOYSA-N 322.474 4.759 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1F)c1cccc2ccccc12 120123479 HRLWJLCWJHHPIM-CQSZACIVSA-N 304.368 4.701 30 20 DJED CCSc1ccc([C@H](C)NCc2ccc(C#N)cc2F)cc1 178788044 AJIWQFRDSZCWMN-ZDUSSCGKSA-N 314.429 4.660 30 20 DJED Cc1c(C#N)cccc1NCc1csc(-c2ccsc2)n1 179053049 IWEMVVKKISXYCD-UHFFFAOYSA-N 311.435 4.664 30 20 DJED C=CCC1(C(=O)N2Cc3ccccc3-c3ccccc3C2)CCC1 191015733 PLIJAWLRPVEGNL-UHFFFAOYSA-N 317.432 4.942 30 20 DJED CC(C)Sc1cccc(Cl)c1CN1CCC(C#N)CC1 194997178 DFXLTNAHYALNFA-UHFFFAOYSA-N 308.878 4.576 30 20 DJED Clc1ccc(C=NOCc2ncc(-c3ccccc3)o2)cc1 254966644 QTOIEDNNHKXNDP-UHFFFAOYSA-N 312.756 4.546 30 20 DJED CC(C)(C#N)Cc1nc(C(C)(C)c2cccc3ccccc23)no1 293346921 MWIUUVPEIBCQFS-UHFFFAOYSA-N 319.408 4.641 30 20 DJED CC(C)Sc1ccc(CN(CCC#N)Cc2ccco2)cc1 358027673 CQFFPSVLOCAPSA-UHFFFAOYSA-N 314.454 4.696 30 20 DJED CCc1cc(C)c(C(=O)Nc2sc(C(C)(C)C)cc2C#N)o1 411009020 VTYGDKKTIAUTMB-UHFFFAOYSA-N 316.426 4.633 30 20 DJED C[C@@H](C(=O)Nc1sc(C(C)(C)C)cc1C#N)c1ccccc1 411009872 ZOSHKMLWSUJKGU-GFCCVEGCSA-N 312.438 4.659 30 20 DJED CCCCOc1ccc(CNc2cccc(CC#N)c2)cc1OC 449688687 HLWXNWBJOVGEGF-UHFFFAOYSA-N 324.424 4.552 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1scnc1C(C)C 455900742 SBHXYQPEFYOHDU-UHFFFAOYSA-N 321.471 4.548 30 20 DJED N#CC[C@H](CC(=O)Nc1ccc(Cl)c(F)c1)c1ccccc1 474895379 HMZBTGCVLFQLKG-CYBMUJFWSA-N 316.763 4.505 30 20 DJED C[C@H](Nc1ccc(CC#N)cc1)C1CCC(C(F)(F)F)CC1 474928415 UGTWJNFLQYLINO-GRTSSRMGSA-N 310.363 4.922 30 20 DJED Cc1cc(C)cc([C@H](C)NC(=O)C[C@H](CC#N)c2ccccc2)c1 475761835 RWDMJHJEZPWQJH-HKUYNNGSSA-N 320.436 4.568 30 20 DJED Cc1ccc(Br)c(OCCCC(C)(C)C#N)c1F 478831295 WCFOABQKIFHCPZ-UHFFFAOYSA-N 314.198 4.605 30 20 DJED N#Cc1cccnc1/C=C/c1ccc(Cl)c(C(F)(F)F)c1 486074338 JOFAJKCQUQHJMN-GQCTYLIASA-N 308.690 4.796 30 20 DJED C=C[C@H]1CCCCN1Cc1ncc(-c2cccc(Cl)c2)o1 489502502 YRNNYXCIEKHKRX-HNNXBMFYSA-N 302.805 4.536 30 20 DJED C=C(C)CCc1noc(/C=C(/c2ccccc2)C(F)(F)F)n1 508617722 YQJOSJJASVVHNO-RAXLEYEMSA-N 308.303 4.681 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1c(F)cccc1Cl 521821721 RXTGEYVPXKZATF-UHFFFAOYSA-N 316.807 4.761 30 20 DJED COc1ccc(/C=C\c2nc3cc(C)ccc3s2)cc1C#N 525111071 GUGOCNHMGJMTPU-YVMONPNESA-N 306.390 4.655 30 20 DJED C[C@H](NCc1ccc(C(F)(F)F)cc1)c1ccc(C#N)c(F)c1 537400638 FFSODPDMRBVHDE-NSHDSACASA-N 322.305 4.567 30 20 DJED C=CCN(C(=O)N[C@H](CC(C)(C)C)c1ccccc1)C1CC1 538959023 KCZJANXJIJUEED-QGZVFWFLSA-N 300.446 4.524 30 20 DJED C[C@H](NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(C#N)cc1 553759221 HJZFDJNZHGYQGH-DUVNUKRYSA-N 310.363 4.578 30 20 DJED Cc1cccc(C)c1-c1cccc(OC[C@H](C#N)CCC#N)c1 565572214 YECLBBVEGHVNJP-KRWDZBQOSA-N 304.393 4.793 30 20 DJED CC(C)c1nc2cc(N[C@H]3CCc4ccc(C#N)cc43)ccc2o1 574561794 XWOQRXANNCUIOU-KRWDZBQOSA-N 317.392 4.922 30 20 DJED N#CCC1CCN(Cc2ccc(Oc3cccc(F)c3)cc2)CC1 578346126 UKIFVDURBVQNKN-UHFFFAOYSA-N 324.399 4.744 30 20 DJED CC[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1cccc(Cl)c1 579418985 XALOEZHARZJLJQ-HNNXBMFYSA-N 315.760 4.683 30 20 DJED CC[C@@H](Nc1cccc(CN(CC)CC)c1)c1ccc(C#N)cc1 584211899 FSKFPLHUXJZPMI-OAQYLSRUSA-N 321.468 4.963 30 20 DJED N#CCCC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 584472049 YWGUQYKCIWVPRL-UHFFFAOYSA-N 318.420 4.510 30 20 DJED N#CCCCCCC(=O)N1CCCSc2ccc(Cl)cc21 588940057 CSBPFSAKDYAXIA-UHFFFAOYSA-N 322.861 4.643 30 20 DJED Cc1ccc(CN(CCCC#N)[C@H]2CCc3ccccc32)cc1 603895527 MCIDFLCWAHTDNJ-NRFANRHFSA-N 304.437 4.788 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCCCOC(C)(C)C 610681145 HVXZBHJAFZZSBV-AWEZNQCLSA-N 306.475 4.698 30 20 DJED CC[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C1CCCCC1 619433484 MZNQVXNDUMLWEB-GOSISDBHSA-N 312.457 4.576 30 20 DJED Cc1cccnc1[C@@H]1CCC[C@@H](N[C@@H](C)c2cccc(C#N)c2)C1 619611258 AHKABLDGSWLDQM-PWIZWCRZSA-N 319.452 4.639 30 20 DJED CCc1ccc([C@@H](C)NCc2ccc(C#N)c(Cl)c2)s1 619754753 JVCUYZQOBAVDKE-LLVKDONJSA-N 304.846 4.686 30 20 DJED CC1=CC(=NNc2ncc(C(F)(F)F)cc2Cl)CCC1 727249965 BAFKXNTVJUPVTD-UHFFFAOYSA-N 303.715 4.652 30 20 DJED CCc1nc([C@H](C)/N=C\c2c(O)ccc3ccccc23)cs1 731939130 YVYANNQCFFTOBF-ZTPSMGMTSA-N 310.422 4.744 30 20 DJED O=C(/C=C/c1cccnc1Cl)c1cccc(Cl)c1Cl 734980794 LGGCWQZDAMUZND-VOTSOKGWSA-N 312.583 4.938 30 20 DJED FC(F)Oc1ccccc1C=NOCc1cc2ccccc2o1 767825178 OCRQAGJCWSDYDN-UHFFFAOYSA-N 317.291 4.585 30 20 DJED CCC(CC)[C@@H]1C[C@H](Nc2nc3ccccc3cc2C#N)CCO1 778008606 BOXCSABUGNKQCD-MJGOQNOKSA-N 323.440 4.502 30 20 DJED O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccnc(Cl)c1 779461263 XZBUURAZHNXIFR-ZZXKWVIFSA-N 311.690 4.650 30 20 DJED C#CCCCCCC(=O)Nc1cccnc1-c1ccc(C)s1 782947532 YZXMJKMAZWJAMJ-UHFFFAOYSA-N 312.438 4.641 30 20 DJED FCC[C@@H]1CCCC1=NNc1ccc(Br)c(F)c1 794931356 UOAWNKYHQCJEOA-VIFPVBQESA-N 317.177 4.516 30 20 DJED Cc1sc2ncnc(NN=C3CCC[C@@H]3CCCF)c2c1C 800806344 DQIWIMKQEAZKBW-GFCCVEGCSA-N 320.437 4.626 30 20 DJED CCCCCCCCCC(=O)N(C)c1cnc2ccccc2n1 813284766 DYVCYQYTYBRYOW-UHFFFAOYSA-N 313.445 4.733 30 20 DJED Cc1c(C(=O)/C=C/c2ccc(Cl)cc2)cnn1-c1ccccc1 818251905 BEVRSABLKHTAKB-FMIVXFBMSA-N 322.795 4.730 30 20 DJED C[C@H](Nc1ccccc1NC(=O)C#CC(C)(C)C)c1ccccc1 848041307 ZFQIZMOYMDIDHI-INIZCTEOSA-N 320.436 4.848 30 20 DJED FC(F)(F)c1ccccc1C=NOCc1ccccc1Cl 852181316 HEDPANAJFCSHQW-UHFFFAOYSA-N 313.706 4.910 30 20 DJED FC(F)(F)[C@@H]1CCC[C@@H](C=NNc2ncccc2Cl)C1 853294539 UVLJXOHUKNTVRH-NXEZZACHSA-N 305.731 4.501 30 20 DJED N#Cc1ccc(-c2nnc(-c3occc3-c3ccccc3)o2)cc1 1117214039 HPTMLRFFKJKIBV-UHFFFAOYSA-N 313.316 4.535 30 20 DJED CC[C@@H](Cc1ccccc1)N(CC)Cc1cccc(C#N)c1F 1168073643 MYQGRQIEJXVCSB-IBGZPJMESA-N 310.416 4.541 30 20 DJED COc1ccc(C#N)cc1CN1CCC[C@@H]1CCC1CCCC1 1307583789 VXVLNXJHJQZABI-LJQANCHMSA-N 312.457 4.502 30 20 DJED Cc1cc(F)ccc1C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 1307798049 CPUHDQDGCNQRCG-MRXNPFEDSA-N 322.427 4.946 30 20 DJED N#Cc1ccc(CN[C@@H]2CCC[C@@H](c3ccccc3)C2)c(F)c1 1308743067 YVKJMDOMSCJHGU-IEBWSBKVSA-N 308.400 4.513 30 20 DJED CCCC[C@@H](CCC)CNC(=O)Nc1cc(C)cc(C#N)c1 1310873392 VGDFDWVPZQCETL-OAHLLOKOSA-N 301.434 4.595 30 20 DJED CCCc1ccc(C(=O)Nc2sc(C)c(CC)c2C#N)s1 1358026103 IYGVTFCFVVUPLB-UHFFFAOYSA-N 318.467 4.757 30 20 DJED C[C@H](S[C@@H]1CC[C@H](C#N)C1)c1cccc(Br)c1 1559419253 XBQIHHHPBDSYLY-COPLHBTASA-N 310.260 4.936 30 20 DJED C[C@H](c1cccc(Cl)c1)N(C)c1nc(C#N)c(Cl)s1 1650654674 LXUKUWREJYYJRY-MRVPVSSYSA-N 312.225 4.519 30 20 DJED N#Cc1ccc(-c2ccccc2)nc1SCCc1ccccc1 1651813069 OQYDPKPTDCRJPS-UHFFFAOYSA-N 316.429 4.955 30 20 DJED CCCC[C@@H](CCC)CNC(=O)Nc1cc(C#N)ccc1C 1675080345 XVHQXVNCFNQRPQ-OAHLLOKOSA-N 301.434 4.595 30 20 DJED C=C(CNC(=O)N(C)Cc1ccc(C(C)C)cc1)c1ccccc1 1682940857 LIMDWVWPWAAGOB-UHFFFAOYSA-N 322.452 4.665 30 20 DJED C[C@H](C#N)Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 5901509 DYRAZRCBVBLXRI-CYBMUJFWSA-N 305.406 4.748 30 20 DJED Cc1ccc(-c2csc3ncnc(SCCC#N)c23)cc1 7234165 STTXQRLOMZDBNT-UHFFFAOYSA-N 311.435 4.673 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Cl)o1 66802042 OWPPEZXPWDZZER-JTQLQIEISA-N 320.801 4.580 30 20 DJED CCCCCCCSc1nnc(-c2sc(C)nc2C)o1 125591404 KNDNPQDZEBQDOA-UHFFFAOYSA-N 311.476 4.872 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC/C(Cl)=C/Cl 127932789 XRERNDMUKVCYJE-DFYQSJSGSA-N 301.242 4.812 30 20 DJED Cc1cc(C)c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)o1 175640984 OTADYKBFDMRCEI-UHFFFAOYSA-N 322.389 4.749 30 20 DJED Cc1noc(C)c1CNc1ccc(Oc2ccccc2)c(C#N)c1 187344137 VLJNVAHSVLXCJE-UHFFFAOYSA-N 319.364 4.568 30 20 DJED C=CCC1(C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)CCC1 191935450 OSWSRKARVBWPOY-CQSZACIVSA-N 320.502 4.841 30 20 DJED O=C(/C=C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 199119227 KYTVKSUSFJSKOG-JHMJBTLWSA-N 313.740 4.701 30 20 DJED CC(C)c1cccc(C(C)C)c1NC(=O)N(C)C[C@@H](C)C#N 264079941 CYWYGRVAJOAVCK-AWEZNQCLSA-N 301.434 4.557 30 20 DJED Cc1cc(CSCCCC2(C#N)CCOCC2)c(C)s1 281970868 UHPCWGUUPBXMLX-UHFFFAOYSA-N 309.500 4.699 30 20 DJED C[C@H]1C[C@H](C(O)=Nc2nc3ccc(Cl)cc3s2)CCC1=O 328869823 CZUOSCHUODDANA-DTWKUNHWSA-N 322.817 4.543 30 20 DJED C[C@@H]1CCC[C@H](C/N=C(/O)CCc2nc3ccccc3o2)C1 329111116 GOVNIFGRODMTBX-KGLIPLIRSA-N 300.402 4.543 30 20 DJED C[C@@H](Nc1cccc2ccsc12)c1ccc(OCC#N)cc1 386315712 MPVHPIYCUQJYNM-CYBMUJFWSA-N 308.406 4.977 30 20 DJED C[C@@H](c1ccccc1Cl)N(C)Cc1ccc(C#N)c(F)c1 404082525 PZBPPFDKUAEMPI-LBPRGKRZSA-N 302.780 4.544 30 20 DJED CCC[C@H]1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1CC#N 410961655 AXCDLFAQWSIPFQ-SWLSCSKDSA-N 304.821 4.561 30 20 DJED C=CCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 435274832 MPDCPXLGGXOVQP-IBGZPJMESA-N 318.420 4.534 30 20 DJED Cc1cc(CNc2ccc(CCC(F)(F)F)cc2)ccc1C#N 443996043 OXYSMORSLKXNQD-UHFFFAOYSA-N 318.342 4.974 30 20 DJED C=C(C)CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444740189 VQXOTMJXYUFBLH-GFCCVEGCSA-N 311.269 4.865 30 20 DJED N#Cc1cccc(Cl)c1NCc1ccccc1C(F)(F)F 462388433 NVTKXELNQNMEHY-UHFFFAOYSA-N 310.706 4.843 30 20 DJED C[C@H](Cc1c(Cl)cccc1Cl)N[C@@H]1CCC[C@@H](C#N)C1 463233795 FEFQJFAEWCDFFQ-JHJVBQTASA-N 311.256 4.596 30 20 DJED CN(Cc1ccccc1)c1ccccc1N[C@@H]1CCC[C@H](C#N)C1 463294665 FHUNLCJYRILNJO-RBUKOAKNSA-N 319.452 4.817 30 20 DJED C=CCOc1ccc(CN(C(=O)C2CCCC2)C(C)(C)C)cc1 467881336 RYQBGRPTNZNNLQ-UHFFFAOYSA-N 315.457 4.569 30 20 DJED C=C(C)[C@@H](NCc1cc(C)ccc1F)c1ccc(F)c(F)c1 479425291 SIQAUDZTZQKORZ-GOSISDBHSA-N 305.343 4.819 30 20 DJED CCOc1cccc(CN(CC)[C@H](C)c2ccc(C#N)cc2)c1 508668124 WPMYNKKDQMOYTA-MRXNPFEDSA-N 308.425 4.540 30 20 DJED N#Cc1ccc2c(c1)[C@@H](NC[C@H]1CCCC[C@H]1C(F)(F)F)CC2 517910741 NCFKCEJEJLUYOC-OIISXLGYSA-N 322.374 4.504 30 20 DJED N#CCCCN[C@H](c1cc(F)ccc1F)c1ccccc1Cl 542497183 BDZFOHPNDSTSLP-KRWDZBQOSA-N 320.770 4.601 30 20 DJED C/C=C\c1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1 554016049 QMHFFBWIMUIRST-PLNGDYQASA-N 304.393 4.773 30 20 DJED C=C(C)[C@H](NC(=O)c1occc1C(C)C)c1ccc(F)c(F)c1 560118803 QWFXHOACEFNIEY-INIZCTEOSA-N 319.351 4.728 30 20 DJED CC(C)[C@@H](NC(=O)CCCCCC#N)c1ccc(Cl)cc1 588460066 BTSZXMGQLMWDLR-QGZVFWFLSA-N 306.837 4.627 30 20 DJED N#Cc1ccc(OCCSc2ccc(F)cc2)c(Cl)c1 604557227 OBRVMVKARVSPGS-UHFFFAOYSA-N 307.777 4.522 30 20 DJED C=CCCCCCN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683780832 RIZSQVOVWGVJSD-TXEJJXNPSA-N 317.317 4.796 30 20 DJED CC(C)c1ccc(C=NOCc2cc(-c3ccco3)on2)cc1 727484177 ZCCXSCDHMWVXJD-UHFFFAOYSA-N 310.353 4.609 30 20 DJED Cc1ncccc1/C=C\C(=O)c1ccc(OCCC(C)C)cc1 728786221 VLSHQZZQZNVFHL-FLIBITNWSA-N 309.409 4.711 30 20 DJED C=CCOc1cccc(NC(=O)N[C@@](C)(CC)c2ccccc2)c1 730898773 CKLSQBITBDIAMS-FQEVSTJZSA-N 324.424 4.698 30 20 DJED C=CC1CCN(C(=S)Nc2cc(Cl)cc(Cl)c2)CC1 731943438 ZMLBBYCVYANXPX-UHFFFAOYSA-N 315.269 4.588 30 20 DJED N#Cc1cnc2ccc(Cl)cc2c1N1CCC2(CCCC2)C1 742426042 NQHZUMMUUQOROC-UHFFFAOYSA-N 311.816 4.530 30 20 DJED C=CC1CCN(C(=O)/C=C(/C)c2cccc(C(F)(F)F)c2)CC1 742659001 DBPZWCSPLFTBCS-QBFSEMIESA-N 323.358 4.533 30 20 DJED C=CCN(C(=O)c1cnc(-c2ccccc2Cl)s1)C(C)C 747633008 VIQJLDLQZCOVJE-UHFFFAOYSA-N 320.845 4.500 30 20 DJED CC(C)(C#N)CCCOc1ccc(-c2ccccc2)cc1C=O 747809323 QANMFIHKHMYQNG-UHFFFAOYSA-N 307.393 4.875 30 20 DJED N#Cc1cc(/C=C\C(=O)c2ccccc2C(F)(F)F)ccc1F 770569925 XVFQDCNPRQJWPR-VURMDHGXSA-N 319.257 4.612 30 20 DJED C=CCCOCCCCC(=O)Oc1cc(Cl)ccc1Cl 775644334 HUSQUELDSLGADH-UHFFFAOYSA-N 317.212 4.662 30 20 DJED CCc1cccnc1C(C)=NOCc1ccc(C(F)(F)F)cc1 779781628 FHLPZZQUGSGLER-UHFFFAOYSA-N 322.330 4.604 30 20 DJED Cc1cc(/C=C/C(=O)c2cc(F)cc(F)c2)cc2cccnc12 783711149 TYLNAUDUWWNXGT-SNAWJCMRSA-N 309.315 4.718 30 20 DJED CC(C)c1ccc2c(Cl)c(C(=O)NCCCC#N)sc2c1 784133854 BTUVWSIDFRFLLV-UHFFFAOYSA-N 320.845 4.712 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2cscc2Cl)c(Cl)c1 788360320 IHKQRWJXOOVYOE-RQOWECAXSA-N 308.189 4.823 30 20 DJED C/C=C(/CC)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 789349405 XMWRAKBASGCKQZ-KJVZHSBYSA-N 310.422 4.651 30 20 DJED Cn1cc(C(=O)/C=C/c2ncc(C(C)(C)C)s2)c2ccccc21 790601459 VALWYGXPEYYGHR-MDZDMXLPSA-N 324.449 4.828 30 20 DJED FC(F)c1ccc(C=NNc2nccc3sccc23)cc1 794497059 OIWRSKLBDJQCKD-UHFFFAOYSA-N 303.337 4.680 30 20 DJED O=C1/C(=C\c2ccc(C(F)F)cc2)CCOc2cc(F)ccc21 794945983 RCQTVPPNDWIZDJ-LCYFTJDESA-N 318.294 4.812 30 20 DJED CC(C)[C@H](Cc1ccccc1)NN=C1CCC(C(F)F)CC1 799485814 WGUNSXSSTGPAKK-LWKPJOBUSA-N 308.416 4.655 30 20 DJED CCCCCC(C)=NNc1ncnc2sc3c(c12)CCC3 818225070 YDWWNZJIIIGQQR-UHFFFAOYSA-N 302.447 4.548 30 20 DJED O=C(/C=C\c1ccc(Cl)s1)c1ccccc1OC(F)F 834706135 QTIYWLWJDDHWCY-ALCCZGGFSA-N 314.740 4.899 30 20 DJED Cc1ccccc1C=NOCc1ccc(Cl)c2cccnc12 917394533 BHBQWQOWQDJMEV-UHFFFAOYSA-N 310.784 4.747 30 20 DJED C=C(Br)CN(CC)[C@H](C)c1cc2ccccc2o1 920207055 XOHFGBQSQOOXPB-GFCCVEGCSA-N 308.219 4.724 30 20 DJED Cc1cccc(-c2nsc(N[C@H](C)c3cccc(C#N)c3)n2)c1 1164120276 QDMTZPJENNZMKP-CYBMUJFWSA-N 320.421 4.558 30 20 DJED CCC[C@@H](CCc1ccccc1)Nc1cccc(OCC#N)c1 1308677190 LLSZTIARVUTHML-SFHVURJKSA-N 308.425 4.802 30 20 DJED Cc1cccc(CC[C@H](C)NCc2ccc(C#N)c(Cl)c2)c1 1308713229 HPUUXKIZJQHUDL-HNNXBMFYSA-N 312.844 4.631 30 20 DJED CCn1c2ccccc2c2cc(CN(C)CCCC#N)ccc21 1318192390 KHRYRUWXOCTPNQ-UHFFFAOYSA-N 305.425 4.550 30 20 DJED CCCCC[C@@H](CC)c1nnc(COc2ccc(C#N)cc2)o1 1327266932 DPNJADJBOXPQSC-OAHLLOKOSA-N 313.401 4.594 30 20 DJED CCSc1ccc([C@@H](C)Nc2nc(C)cc(C)c2C#N)cc1 1338562278 QGIMDUVLZQTZHC-CQSZACIVSA-N 311.454 4.855 30 20 DJED CC(C)(C)c1ccc(NN=C2CC[C@@H]3CCCC[C@H]3C2)nn1 1339230548 LGVCQXMQCHSFNZ-KBPBESRZSA-N 300.450 4.532 30 20 DJED CC1(CCC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 1357488589 OPAYHLHSDBSGLC-UHFFFAOYSA-N 320.392 4.869 30 20 DJED Cc1ccc2oc(C(=O)O[C@@H](C)c3ccc(C#N)cc3)cc2c1 1457190461 IRFHQELNELUIQI-ZDUSSCGKSA-N 305.333 4.531 30 20 DJED CC(C)[C@@H](CC(=O)OCc1ccc(CC#N)cc1)c1ccccc1 1458304772 DKGRPHIIBBKMMA-HXUWFJFHSA-N 321.420 4.626 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCC2(CCCCC2)CC1 1460369326 YQKYDIDEOPEPCG-UHFFFAOYSA-N 302.849 4.758 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1Cl)c1ccc2c(c1)CCC2 1473333861 PLGOZFOZOFVXFK-CYBMUJFWSA-N 310.828 4.551 30 20 DJED C[C@H](CCC#N)CN(Cc1ccccc1C(F)(F)F)CC1CC1 1474517433 PUZWZAZFRPPMMF-CQSZACIVSA-N 324.390 4.857 30 20 DJED CC[C@@H](C)Oc1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)cc1 1516898085 BSMKEGQFCYLGLC-HUUCEWRRSA-N 323.392 4.654 30 20 DJED C[C@H](CC(=O)O[C@H]1CCC[C@@H](C#N)C1)Cc1ccc(Cl)cc1 1535479631 VLNQAPOLJJAUJS-LXZKKBNFSA-N 319.832 4.534 30 20 DJED N#Cc1ccccc1Oc1nc2c(F)cc(Cl)cc2s1 1639182367 IEPGJQJUVBASEU-UHFFFAOYSA-N 304.733 4.753 30 20 DJED N#CCC1(CSc2nc3ccccc3n2-c2ccccc2)CC1 1652402817 BMHAUHMYVMRPFH-UHFFFAOYSA-N 319.433 4.811 30 20 DJED CCc1cccc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 1652554790 KDJOCQXBDMIXKN-RTWAWAEBSA-N 304.437 4.521 30 20 DJED C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1CCC(C)(C)C#N 1653873822 NRYHYWATDZEYLS-LLVKDONJSA-N 311.256 4.852 30 20 DJED N#C[C@H]1CC[C@H](Nc2c(-c3ccccc3)[nH]c3ccccc23)C1 1658969955 SDWQYQYEWYPZGD-HOCLYGCPSA-N 301.393 4.939 30 20 DJED CN(Cc1cccc(F)c1C#N)[C@H]1CCCC[C@H]1c1ccccc1 1660031970 CWIDBPQPMVZYCJ-RXVVDRJESA-N 322.427 4.856 30 20 DJED CC(C)[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2)c2ccccc21 1667039388 GIVUIWFQKNZOAY-GOSISDBHSA-N 319.408 4.544 30 20 DJED Cc1c(C(=O)Nc2sccc2C#N)sc2cccc(F)c12 20005067 AIZWFXQEKDPUBA-UHFFFAOYSA-N 316.382 4.534 30 20 DJED C[C@@H](C#N)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 57737352 QOMLSFWWJLHRPB-RSPDNQDQSA-N 311.768 4.527 30 20 DJED Cc1ccc(C)c2c(C)c(C(=O)Nc3ccc(F)c(C#N)c3)oc12 78478912 SHRMLQFGRROXNU-UHFFFAOYSA-N 322.339 4.621 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H]2CCCC(C)(C)C2)n1 179409395 VFRBKAKFUSPULB-OLZOCXBDSA-N 304.459 4.659 30 20 DJED Cc1ccc(NC(=O)CS[C@@H](C)c2cccc(C#N)c2)c(C)c1 190897969 OBNHVLRBSAMUSC-HNNXBMFYSA-N 324.449 4.608 30 20 DJED Cc1cc(CSCCCC#N)nc(-c2ccc(Cl)cc2)n1 190985295 FRSOQSNBNNPPDC-UHFFFAOYSA-N 317.845 4.642 30 20 DJED C=CCN(C(=O)/C=C\c1nc2ccccc2s1)c1ccccc1 212693686 ARDWPGLIOPZZCK-SEYXRHQNSA-N 320.417 4.529 30 20 DJED CCC[C@@H](C)N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N 264575150 WKWSAUDDWCGVNH-ZIAGYGMSSA-N 319.474 4.591 30 20 DJED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccccc1OC(F)F 269002510 VFOGIPGSLUMNBJ-OLZOCXBDSA-N 316.351 4.571 30 20 DJED CC(C)(C#N)c1ccccc1CNc1ccc([C@@H]2CCOC2)cc1 297897841 VXUYOXGXOIMWNV-GOSISDBHSA-N 320.436 4.604 30 20 DJED Cc1ccsc1[C@H](Cc1ccccc1)Nc1ccc(C#N)nc1 301569200 LPEOZFWBVRTPHD-SFHVURJKSA-N 319.433 4.719 30 20 DJED C[C@H](Nc1ccc(C#N)c(Cl)c1)c1cccc(OC(F)F)c1 302932684 HIRLWGXLDZHGJP-JTQLQIEISA-N 322.742 4.986 30 20 DJED N#CCCCOc1cccc(N[C@@H]2CCCc3ccc(O)cc32)c1 326073630 MVEIATBKZXYWFY-HXUWFJFHSA-N 322.408 4.564 30 20 DJED C[C@@H](CC(O)=Nc1scnc1C1CC1)/N=C(/O)C1CCCC1 328926183 OPNKPJQJWSUWNI-JTQLQIEISA-N 321.446 4.534 30 20 DJED Cc1ccc([C@@H]2OCCC[C@H]2C(O)=Nc2scnc2C)cc1 329933172 JDAOFVOYBXQDOG-CABCVRRESA-N 316.426 4.516 30 20 DJED Cc1ccc(Cl)cc1N/C(O)=N/[C@@H]1CCO[C@@H](CC(C)C)C1 330688406 DDMPDAZFHVTPFM-CABCVRRESA-N 324.852 4.568 30 20 DJED CC[C@@H](NCC(C)(C)CCC#N)c1cccc(Br)c1 348225594 KHBNQWRJDRVUBK-OAHLLOKOSA-N 323.278 4.820 30 20 DJED CC(C)(C#N)CCCCN(Cc1cccs1)CC(F)(F)F 409446894 JOXHOHKXQNHTJW-UHFFFAOYSA-N 318.408 4.832 30 20 DJED C=CCC(C)(C)C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 431754800 POLLAXBQAZMUMB-FQEVSTJZSA-N 319.448 4.763 30 20 DJED C=C(CN[C@H](CCCOC)c1ccc(F)cc1)c1ccccc1 442763361 GMXJWVDBLLLBML-HXUWFJFHSA-N 313.416 4.596 30 20 DJED Cc1cc(CNc2ccc(CC(F)(F)F)cc2)ccc1C#N 443998993 RWIQUNVHPQOGOP-UHFFFAOYSA-N 304.315 4.584 30 20 DJED CC(C)CCn1ncc(N[C@H]2CCC[C@@H](C#N)C2)c1C(C)C 446972891 AXMMOJBBZAPYOF-CVEARBPZSA-N 302.466 4.547 30 20 DJED C=CCC1(C(=O)Nc2ccc(O)cc2SC)CCCCC1 451383846 MLNUORKVVDHALA-UHFFFAOYSA-N 305.443 4.579 30 20 DJED Cc1ccc(-c2cc(CSc3cccc(C#N)c3)on2)cc1 468641867 NOIWXTXLWZBGMB-UHFFFAOYSA-N 306.390 4.814 30 20 DJED C=CCC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 487764634 YSGHJPOLNDNCCV-MRXNPFEDSA-N 324.380 4.592 30 20 DJED C=CCOc1ccc(CNC(=O)Nc2ccccc2C(C)C)cc1 513558898 RNWVXLXRSNCGON-UHFFFAOYSA-N 324.424 4.697 30 20 DJED C=CCCO[C@@H](C)C(=O)N(Cc1ccccc1)c1cccc(C)c1 520636525 FVDWFYKGLQIMFV-SFHVURJKSA-N 323.436 4.509 30 20 DJED C=C[C@@H](CC(=O)Nc1cccc(COC(C)C)c1)c1ccccc1 534638857 LSFPHIIGHYOFCB-SFHVURJKSA-N 323.436 4.910 30 20 DJED C=C[C@@H](CC(=O)NCC(C)(C)c1cccs1)c1ccccc1 535397286 MDXKHNXFCODTIJ-HNNXBMFYSA-N 313.466 4.502 30 20 DJED C[C@@H](NCC1(Sc2ccccc2)CC1)c1cccc(C#N)c1 537289424 WAFKLDLPNZEFDX-OAHLLOKOSA-N 308.450 4.534 30 20 DJED C=CCCC[C@@H](C)NC(=O)Nc1cnn([C@@H](C)CC)c1C1CC1 538325347 TYMRIIGPAYJTDX-KGLIPLIRSA-N 318.465 4.598 30 20 DJED C=CCN(C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1)C1CC1 539013113 VSRVFMOFWOEIJN-KRWDZBQOSA-N 318.848 4.541 30 20 DJED C=CCN(C(=O)Nc1cccc(Oc2ccccc2)c1)C1CC1 540129613 KASGMFFGQNTTGU-UHFFFAOYSA-N 308.381 4.661 30 20 DJED N#Cc1ccnc(N2CCC[C@H]2c2cccc(Cl)c2)c1Cl 561134019 AXUZZYSNRFJTKV-AWEZNQCLSA-N 318.207 4.602 30 20 DJED CCSc1cccc(/C=C\C(=O)c2ccc(OCC#N)cc2)c1 588489265 LDERGPUSQPADQK-WDZFZDKYSA-N 323.417 4.597 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1coc2ccc(Cl)cc12 593136997 ZGUZXJYVDYXOPW-UHFFFAOYSA-N 318.804 4.631 30 20 DJED N#CC[C@H]1CCCN(Cc2sc3ccccc3c2Cl)C1 595610794 CHUPJIWKJHDXHW-GFCCVEGCSA-N 304.846 4.680 30 20 DJED CCCCCc1ccc(NC(=O)c2cccc(CC#N)c2)cc1 603730309 GBWJVKYOUXWCST-UHFFFAOYSA-N 306.409 4.738 30 20 DJED CC1(C)CCN(c2c(C#N)cnc3c(F)ccc(Cl)c23)CC1 608885724 KAXYLHKVZBUJDD-UHFFFAOYSA-N 317.795 4.525 30 20 DJED N#Cc1ccc(NC(=O)N(C2CCCCC2)C2CC2)cc1Cl 610723805 ZUOQMLDJGXFFLN-UHFFFAOYSA-N 317.820 4.541 30 20 DJED N#Cc1ccc(Oc2cccc(-c3nc(C4CCC4)no3)c2)cc1 612897570 PQHDVPYVRGGTMZ-UHFFFAOYSA-N 317.348 4.668 30 20 DJED C[C@H](OC(=O)/C=C/c1ccc(Cl)cc1)c1cccc(C#N)c1 727640838 VJBLNLOHBIMCLK-RSPDNQDQSA-N 311.768 4.529 30 20 DJED CC[C@@H](C)Oc1cccc(NCc2ccc(O[C@H](C)C#N)cc2)c1 747099045 IEXAQJFYYVXKMW-HZPDHXFCSA-N 324.424 4.767 30 20 DJED COc1cc(C(C)=NNc2cccc(C)c2)ccc1SC 747601986 HQEHCDKUNKZFQJ-UHFFFAOYSA-N 300.427 4.562 30 20 DJED CC(C)Oc1ccccc1/C=C/C(=O)c1c[nH]c2cc(F)ccc12 749454066 VMOSFCGVQCWYGR-JXMROGBWSA-N 323.367 4.990 30 20 DJED CC(C)C(=NNc1nc(Cl)c(Cl)cc1Cl)C1CC1 750924202 YGAFGLLQTGDRQX-UHFFFAOYSA-N 306.624 4.876 30 20 DJED FC(F)(F)c1ccccc1ON=Cc1ccc(Cl)s1 754712676 OVFCTNZBROPVHU-UHFFFAOYSA-N 305.708 4.833 30 20 DJED Clc1ccc(CNN=Cc2csc(Cl)c2Cl)cc1 761827451 GVMRMDUBVKKYEF-UHFFFAOYSA-N 319.644 4.832 30 20 DJED CSc1ccc(C)c(NCc2ccc(O[C@@H](C)C#N)cc2)c1 775763789 XCBVFITZWLUZAI-AWEZNQCLSA-N 312.438 4.620 30 20 DJED C=CCN(C(=O)N[C@@H](CC1CCC1)c1ccccc1)C(C)C 779382393 RSRCBCHJRSFKQS-SFHVURJKSA-N 300.446 4.524 30 20 DJED C#CCCCCCC(=O)NCC(c1ccccc1)c1ccccc1 779868360 ZAIKXUCIHFCUEY-UHFFFAOYSA-N 319.448 4.518 30 20 DJED O=C1/C(=C\c2cc(Cl)cs2)CCc2ccc([N+](=O)[O-])cc21 782355624 UNXCRPAJBBIRBC-YHYXMXQVSA-N 319.769 4.522 30 20 DJED C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 792178830 GILAEJCQKUMTHY-XQQFMLRXSA-N 319.836 4.641 30 20 DJED CC(C)SCCSCc1ccc(C#N)cc1OC(F)F 795367655 FTCZMVKBWLEBJQ-UHFFFAOYSA-N 317.426 4.534 30 20 DJED CCCC(=NNc1nc2ccccc2cc1C)c1cccnc1 814894039 BQTKIZLLAPLKGX-UHFFFAOYSA-N 304.397 4.555 30 20 DJED N#CC1(CCCCSCCc2noc3ccccc23)CCC1 901802610 KAZLFWFNUGODCL-UHFFFAOYSA-N 314.454 4.968 30 20 DJED O=C(/C=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccncc1 916136084 HASSOKRPBWREDQ-ALCCZGGFSA-N 309.752 4.891 30 20 DJED Cc1noc(C)c1/C=C/C(=O)c1ccc(Oc2ccccc2)cc1 916141779 PUOCBLCLWFGZJZ-OUKQBFOZSA-N 319.360 4.980 30 20 DJED CCc1cc(C#N)c(NC(=O)c2ccc(C(F)F)cc2F)s1 1125280537 VDQIJNNXNIWHHN-UHFFFAOYSA-N 324.327 4.511 30 20 DJED C[C@H]1CC[C@@H](C(F)(F)F)CN1CCCCC1(C#N)CCC1 1262242228 WECRPYJMEWSWNW-UONOGXRCSA-N 302.384 4.513 30 20 DJED CC(C)(C)c1ccc(C#N)c(N[C@H]2C[C@H](c3ccccc3F)C2)n1 1307107381 PYGNFWOHECGTJW-SHTZXODSSA-N 323.415 4.748 30 20 DJED C=C(C)COc1cccc(NC(=O)c2cc(C)n(C3CC3)c2C)c1 1318222385 YTCABGYFPHQISZ-UHFFFAOYSA-N 324.424 4.647 30 20 DJED CCC[C@H](CC1CCCC1)C(=O)Nc1ccc(F)c(C#N)c1 1361167870 GXXKRQOFKFYQDP-CQSZACIVSA-N 302.393 4.632 30 20 DJED CC[C@@H](c1ccccc1)N(C(=O)c1ccc(C#N)cc1F)C(C)C 1437962790 CGFNUIPMRFGMMV-IBGZPJMESA-N 324.399 4.699 30 20 DJED CCc1ccc(CN(CCc2ccc(C#N)cc2)CC(C)C)cc1 1473577885 NARPNXQDDXYRDQ-UHFFFAOYSA-N 320.480 4.821 30 20 DJED N#Cc1nc(NC(C2CCCC2)C2CCCC2)sc1Cl 1559286388 XAAALOWJEYPWHV-UHFFFAOYSA-N 309.866 4.829 30 20 DJED CCC[C@H]1CCCC[C@H]1CNC(=O)c1ccc(C#N)c(Cl)c1 1597460841 QKGWEMUTQSLYMV-BBRMVZONSA-N 318.848 4.548 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1Cl 1615169365 OXIVBACKLFZWOE-UHFFFAOYSA-N 316.807 4.763 30 20 DJED CC[C@@H]1c2ccccc2CCN1Cc1ccc(C#N)cc1Cl 1615531362 QNVBGGPTEBKOEM-LJQANCHMSA-N 310.828 4.721 30 20 DJED Cc1ccc(C(=O)N(c2cccc(C#N)c2)C2CCC2)c(Cl)c1 1617599725 IMLGHUHPZITBGW-UHFFFAOYSA-N 324.811 4.719 30 20 DJED Cc1cc(F)ccc1C1CCN(Cc2ccc(CC#N)cc2)CC1 1618215807 YTPQGSDREWDNMT-UHFFFAOYSA-N 322.427 4.580 30 20 DJED N#Cc1ccc(CNCC2(Cc3ccccc3)CCCC2)cc1F 1621202958 WILFLTVJDSQGQL-UHFFFAOYSA-N 322.427 4.590 30 20 DJED Cc1ccc([C@H](C)N(C)c2nc(C(C)(C)C)ccc2C#N)cc1 1642088609 XMSZFQBJRNHDQA-HNNXBMFYSA-N 307.441 4.757 30 20 DJED CCN(Cc1ccc(Cl)cc1)Cc1ccc(C#N)cc1Cl 1644449781 JYADSCKRJAOTKN-UHFFFAOYSA-N 319.235 4.887 30 20 DJED CC[C@H](C)c1ccc([C@@H](Nc2cc(C#N)ncn2)C(C)C)cc1 1649490520 LFKZDQUNQKVDJN-LIRRHRJNSA-N 308.429 4.671 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC[C@@H]1CCCC(C)(C)C1 1651184040 RHZSGHJXMDPDKP-MRXNPFEDSA-N 300.446 4.974 30 20 DJED CC1(C)C[C@H](c2ccccc2)N(Cc2ccc(F)cc2C#N)C1 1653976235 RSUUWRVHLDKNFX-LJQANCHMSA-N 308.400 4.671 30 20 DJED N#Cc1ccc(Cl)cc1Oc1nc2ccc(F)cc2s1 1655266982 QQEDHQPJPLLUQI-UHFFFAOYSA-N 304.733 4.753 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(OCC2CC2)cc1 1658402661 RETPLHTUQLGZOI-INIZCTEOSA-N 320.436 4.540 30 20 DJED O=C(O)c1cccc(NN=C2CCC[C@H](c3ccccc3)CC2)c1 1776037666 UFYYKZKBJLSVJD-INIZCTEOSA-N 322.408 4.901 30 20 DJED Cc1ccc(C(=O)/C=C/c2cc(C(=O)O)c(Cl)s2)c(C)c1 1776133386 VRIBNJHBLJUPKF-GQCTYLIASA-N 320.797 4.613 30 20 DJED CC(C)c1ccc(C(=O)/C=C\c2ccc(/C=C/C(=O)O)cc2)cc1 1776370495 PNRSHZVFDQEXNW-MFUUIURDSA-N 320.388 4.804 30 20 DJED Cc1cccc([C@H](C)NCc2ccc(N(C)CCC#N)cc2)c1C 115630252 FGVONPRJYSVSDY-SFHVURJKSA-N 321.468 4.504 30 20 DJED C[C@H](NC(c1ccccc1)c1ccccc1)c1cccc(C#N)c1 192930631 XIHOMSGJBCJDJH-KRWDZBQOSA-N 312.416 4.998 30 20 DJED C[C@H]1C[C@H](Nc2cccc(CC#N)c2)c2ccsc2S1 313409681 LSBVBEBZXLAUJG-NHYWBVRUSA-N 300.452 4.852 30 20 DJED N#CCc1ccc(CSCc2csc(C3CC3)n2)cc1 342556907 LFHKWKCNSFBATK-UHFFFAOYSA-N 300.452 4.520 30 20 DJED CC[C@H](c1ccc(F)cc1)[S@](=O)CCC1(C#N)CCCCC1 417143212 GOVXNBBMOOHOCU-VGOFRKELSA-N 321.461 4.890 30 20 DJED C[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1S[C@H](C)CC#N 424658843 HEBYAVSSZLVVDD-RRFJBIMHSA-N 316.470 4.846 30 20 DJED N#Cc1c(NC(=O)CC2CCC2)sc2c1-c1ccccc1CC2 443885837 ZSDNYNFXSVNMCA-UHFFFAOYSA-N 322.433 4.514 30 20 DJED Cc1ccc2sc(C(=O)Nc3cccc(C#N)c3)c(C)c2c1 445251026 PTSANTLFIZXFKF-UHFFFAOYSA-N 306.390 4.642 30 20 DJED N#CC[C@@H]1CC[C@H](N[C@H]2CCc3c(Cl)cc(Cl)cc32)C1 453296126 UBDHAHKOTSNFOV-PKWAYOAASA-N 309.240 4.653 30 20 DJED CCc1ccc(Cl)c(CC)c1NC(=O)NCC(C)(C)CC#N 459232468 LPDIQEWPJLOGAT-UHFFFAOYSA-N 321.852 4.526 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cccc(Cl)c1 481652629 SKOTZFAPWLZQOY-LJQANCHMSA-N 310.828 4.769 30 20 DJED CC(C)CN(C(=O)c1ccc(Cl)cc1)c1ccc(C#N)cc1 499327149 JFDNUMKLILFKRD-UHFFFAOYSA-N 312.800 4.514 30 20 DJED C=CCC(C)(C)c1noc([C@H]2CCSc3ccccc32)n1 519123950 JGDDXSAPJSKAJQ-ZDUSSCGKSA-N 300.427 4.551 30 20 DJED N#CCCCOc1cccc(CN2CCCC23CCCCC3)c1 537618843 NMWLYPWJIFFFEF-UHFFFAOYSA-N 312.457 4.668 30 20 DJED C=CCC(C)(C)c1noc(-c2cncc(-c3ccccc3)c2)n1 551469465 BXOFYQLVVWVJKI-UHFFFAOYSA-N 305.381 4.652 30 20 DJED C[C@@H]1CC[C@H](c2ccccc2)N(c2ncc(C#N)cc2Cl)C1 553333895 NKLNHLZAVSORJD-CXAGYDPISA-N 311.816 4.584 30 20 DJED N#CC1(CN[C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 560177204 UTTZKJKFZUOLKN-SJORKVTESA-N 302.849 4.650 30 20 DJED CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)NCCCC#N 565625406 IXWLDWWXBHCGMZ-OAHLLOKOSA-N 312.379 4.556 30 20 DJED C[C@@H]1CCCC[C@@H]1c1noc([C@@H]2C[C@H]2c2cccc(C#N)c2)n1 568978666 ZFJWVJNKUPUBRG-ISWURRPUSA-N 307.397 4.506 30 20 DJED C=C(C)CCNc1cccc(COCc2ccc(OC)cc2)c1 571599210 BPQKHGJZWPDJQT-UHFFFAOYSA-N 311.425 4.790 30 20 DJED C=CCN(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 582513856 RKOGHPLEYTXLMY-UHFFFAOYSA-N 307.224 4.577 30 20 DJED N#Cc1ccc(SCc2ccccc2OC(F)F)c(F)c1 610219028 ONRPOTNUKIHCHS-UHFFFAOYSA-N 309.312 4.591 30 20 DJED C=CCC1(C(=O)Nc2ccc(Cl)c3ncccc23)CCC1 683062333 AMHAVEATJWBUFR-UHFFFAOYSA-N 300.789 4.573 30 20 DJED C=CC[C@H](CC)NC(=O)N(CCCC)[C@H](C)c1ccc(C)o1 684929058 CSLGIMNIWZRBDI-CVEARBPZSA-N 306.450 4.815 30 20 DJED C#Cc1cccc(N(Cc2cccs2)C(=O)c2cccs2)c1 728181424 HHLVANOCWZEGID-UHFFFAOYSA-N 323.442 4.638 30 20 DJED C#Cc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)nc1 728798423 JHZUSVLAKUTAPP-UHFFFAOYSA-N 306.409 4.562 30 20 DJED COc1ccc(/C=C2/Cc3c(ccc(Cl)c3Cl)C2=O)cc1 729149147 CDBNEGSFZIOEPN-FLIBITNWSA-N 319.187 4.824 30 20 DJED CC[C@@H](C#N)NC(=O)c1sc2cc(C(C)C)ccc2c1Cl 732658547 RAHURDTZNLBJFM-NSHDSACASA-N 320.845 4.710 30 20 DJED Cc1ccc(-c2ncc(/C=C\C(=O)c3ccc(O)cc3)s2)cc1 734303534 SRVQCXXBFBASIZ-KHPPLWFESA-N 321.401 4.720 30 20 DJED CC(C)CC(=NNc1cncc(Cl)n1)c1ccc(Cl)cc1 740760898 PYAKVVWGTJRYLA-UHFFFAOYSA-N 323.227 4.646 30 20 DJED O=C1/C(=C/C2=Cc3ccccc3OC2)CSc2ccc(F)cc21 749357506 HHESPRMCHNMNKC-RIYZIHGNSA-N 324.376 4.517 30 20 DJED C=CCC[C@@H](CCC)NC1CCC(O)(c2ccccc2)CC1 760909274 PJVURHMFCPIIRX-XEVCZEQESA-N 301.474 4.541 30 20 DJED CC/C=C/CCON=C(C)c1nc2ccccc2n1C(F)F 768924983 CYVOIRNOVFNJRZ-UWNLQHNTSA-N 307.344 4.528 30 20 DJED C=CC[C@H](N[C@@H](C)c1cc2cccc(OC)c2o1)c1ccncc1 776159608 YCVGHNZHUJTTHB-YOEHRIQHSA-N 322.408 4.804 30 20 DJED COc1ccc(N[C@@H](C)c2ccc(C#N)c(F)c2)cc1Cl 776797803 ZKZHIWCMMMTZQY-JTQLQIEISA-N 304.752 4.532 30 20 DJED CCCCc1ccc(C(=O)Nc2ccccc2O[C@H](C)C#N)cc1 780156249 BFNMCAYUPDPGTI-OAHLLOKOSA-N 322.408 4.572 30 20 DJED CC(=NNc1ccc2ccccc2n1)C1CCC(F)(F)CC1 788698156 RDSDVWDGQYEHPK-UHFFFAOYSA-N 303.356 4.848 30 20 DJED Cc1cc(C)cc(NN=Cc2cscc2Br)c1 794878012 OIXQDNUPLMXYRH-UHFFFAOYSA-N 309.232 4.573 30 20 DJED CC[C@H](C#N)Oc1cccc(CN[C@H](CC)c2cccc(C)c2)c1 796816046 IOFPCMWADXXUNG-TZIWHRDSSA-N 322.452 4.917 30 20 DJED N#CCOc1cccc(NCc2ccc(C3CCCC3)cc2)c1 809187846 QOQHCTCXHFRXID-UHFFFAOYSA-N 306.409 4.859 30 20 DJED CCc1ccc([C@@H](NCc2cc(C#N)ccc2F)C(C)C)cc1 825131212 VDIQURWBPGDEBW-FQEVSTJZSA-N 310.416 4.747 30 20 DJED Cc1cc(NC(=O)NCC(C)(C)CC#N)ccc1-c1ccccc1 839026948 CLHKXBQAXLMHJF-UHFFFAOYSA-N 321.424 4.723 30 20 DJED CCCOc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)cc1C 858309259 KFLFRMHEKAFGNK-INIZCTEOSA-N 324.424 4.687 30 20 DJED Cc1cc(C(=O)N(O)Cc2cccc3ccccc23)c(C)s1 901370554 JRHPFEIFSKOIJS-UHFFFAOYSA-N 311.406 4.550 30 20 DJED CC(=NNc1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1 915918039 ZOILUIASIKGVJV-UHFFFAOYSA-N 313.710 4.590 30 20 DJED CC(=NNc1cccc(C(F)(F)F)c1)c1cc(F)ccc1F 916260210 UGKMBRAZGMULRH-UHFFFAOYSA-N 314.257 4.820 30 20 DJED CC(CCc1ccco1)=NNc1nc(-c2ccccc2)cs1 917025213 ICRXGPSYZHGXFR-UHFFFAOYSA-N 311.410 4.824 30 20 DJED CCc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1 1124377322 YYZHGFPXODIASV-UHFFFAOYSA-N 320.417 4.896 30 20 DJED COc1cc(C#N)ccc1CSc1ccc2c(c1)CCCC2 1166377434 LEHRYOLZHCNKHH-UHFFFAOYSA-N 309.434 4.738 30 20 DJED N#CC1(CN[C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CCC1 1206328996 RGEJPUQUYHSKAU-NVXWUHKLSA-N 302.849 4.650 30 20 DJED CCc1ccc2occ(C(=O)Nc3ccc(Cl)cc3C#N)c2c1 1528632562 VNDNFYSDMCHZTK-UHFFFAOYSA-N 324.767 4.773 30 20 DJED N#Cc1cccc(N[C@H](c2ccccc2)c2ccc(Cl)cc2)n1 1559054476 SQQFVBQQAPGHPS-LJQANCHMSA-N 319.795 4.808 30 20 DJED CN(Cc1ccc(F)c(Cl)c1)Cc1ccc(Cl)cc1C#N 1559749619 VIHFATDMFPTBBI-UHFFFAOYSA-N 323.198 4.636 30 20 DJED CC[C@H](C#N)C(=O)Nc1ccccc1Oc1ccc(Cl)cc1 1583154683 MHLHAZHUCCGUHY-GFCCVEGCSA-N 314.772 4.621 30 20 DJED Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1cccc(F)c1C#N 1633509224 WQKGUJUVPGVZNN-LJQANCHMSA-N 324.399 4.523 30 20 DJED CCCC(CCC)Sc1ncc(C#N)cc1Br 1639353642 UMXLLZVOOPKNPF-UHFFFAOYSA-N 313.264 4.777 30 20 DJED C[C@H](N[C@H]1CC[C@@H](Cc2ccccc2)C1)c1cccc(C#N)c1 1653101537 XARVSWFFBRRJEA-MDKPJZGXSA-N 304.437 4.620 30 20 DJED N#Cc1cc(F)ccc1CN1CCCC2(CCCCC2)CC1 1653301860 GCOYYEMTGPAWEX-UHFFFAOYSA-N 300.421 4.634 30 20 DJED Cc1ccnc(N2CCCCC[C@@H]2/C=C\c2ccccc2)c1C#N 1655357025 NGVVRPCMXCXTRE-YAINUAMHSA-N 317.436 4.724 30 20 DJED CC(C)c1ccc(CCN(C)[C@@H](C)c2cccc(C#N)c2)cc1 1658402840 UOECYIJANMEBBE-KRWDZBQOSA-N 306.453 4.917 30 20 DJED CCC1(CC)CCCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 1667925803 ARHKDMDOCDPGJR-UHFFFAOYSA-N 319.836 4.646 30 20 DJED CCCC1CCC(C(C)=NNc2ccc(C(=O)O)c(F)c2)CC1 1776076874 KLJSTVYGBDSTRN-UHFFFAOYSA-N 320.408 4.918 30 20 DJED COc1ccc(C#N)cc1CSCc1ccc(Cl)cc1 165995807 QEZOKMYJYHYWCW-UHFFFAOYSA-N 303.814 4.654 30 20 DJED C=C(C)[C@@H](N[C@H](C)c1ccc(F)cc1O)c1ccc(F)c(F)c1 186454581 LLPWJQBAOJXFJP-ADLMAVQZSA-N 321.342 4.778 30 20 DJED N#Cc1ccc(Oc2cnc3cc(Cl)c(Cl)cc3n2)cc1 302114432 VQQVOARHJYKZRU-UHFFFAOYSA-N 316.147 4.601 30 20 DJED C[C@H](Sc1ccc(C(F)(F)F)cn1)c1ccc(C#N)cc1 303738365 YDXJDXYQPMLHJS-JTQLQIEISA-N 308.328 4.825 30 20 DJED COCCCC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 359027738 JYVIMWKKWPAIGV-LAUBAEHRSA-N 322.452 4.767 30 20 DJED CC(C)(C)C1CCC(C#N)(NC(=O)c2sccc2Cl)CC1 408082160 XKAIZSPPMMUSKV-UHFFFAOYSA-N 324.877 4.630 30 20 DJED C[C@@H](CN[C@@H]1CCCCc2cc(C#N)ccc21)CC(F)(F)F 414269223 ORTBSWZRSKLISJ-MLGOLLRUSA-N 310.363 4.504 30 20 DJED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2csc(Cl)c2)s1 430602852 MDKIDQLOWXPSTR-VIFPVBQESA-N 324.858 4.646 30 20 DJED CC(C)N(CCCCC(C)(C)C#N)Cc1ccc([N+](=O)[O-])cc1 444589361 IRTVZBBONMQYHI-UHFFFAOYSA-N 317.433 4.525 30 20 DJED C=CCCCC[C@H](C)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 449240019 XQFZQYBLOQCPQE-IPELMVKDSA-N 305.437 4.770 30 20 DJED CC1(C#N)CCC(NCC[C@@H](c2ccccc2)C(F)(F)F)CC1 449340906 RADZXVXDSXCYGK-CGZBRXJRSA-N 324.390 4.785 30 20 DJED Cc1ccccc1[C@@H](NC(=O)Nc1cccc(CC#N)c1)C(C)C 455909833 BYHYUTJAIVXTRY-IBGZPJMESA-N 321.424 4.580 30 20 DJED C=CCC[C@@H](NC(=O)N1CC(C)(C)[C@@H]1C1CC1)c1ccccc1 460390853 XEUUIGWMFKHPPB-MSOLQXFVSA-N 312.457 4.524 30 20 DJED N#CCCCC(=O)N(Cc1cccc2ccccc12)C1CCCC1 463703202 DGMMOBZLQUANCD-UHFFFAOYSA-N 320.436 4.805 30 20 DJED Cc1cccc(Oc2ccc(NC(=O)CC(C)(C)C#N)cc2)c1 479478364 WKHRGXKCXRVLSM-UHFFFAOYSA-N 308.381 4.666 30 20 DJED CC(C)[C@@H](CC(F)(F)F)N[C@@H]1CCCCc2cc(C#N)ccc21 481995464 VILOBIDRUFHPRH-IAGOWNOFSA-N 324.390 4.892 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)Nc1sccc1C#N 489493235 RRKDEQXTKHAICX-JSGCOSHPSA-N 310.422 4.548 30 20 DJED CCCN(Cc1ccc(-c2ccccc2C#N)cc1)CC(F)F 498546930 BMKUXWBWDLPETQ-UHFFFAOYSA-N 314.379 4.702 30 20 DJED C=C(C)CN(CC)C(=O)NCc1cccc(Oc2ccccc2)c1 505357154 FTMRRPVVXAICHD-UHFFFAOYSA-N 324.424 4.587 30 20 DJED N#Cc1ccsc1C(=O)Nc1cccc(Oc2ccccc2)c1 522111541 HAWXDTIRRREPJZ-UHFFFAOYSA-N 320.373 4.664 30 20 DJED C=C[C@H](CC(=O)Nc1cccc(C(=O)CC)c1)c1ccccc1 534715033 ASNPNFGKYCMGSL-OAHLLOKOSA-N 307.393 4.578 30 20 DJED CC(C)OCCCN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542944084 XECNVIROQNPRQE-KRWDZBQOSA-N 322.452 4.691 30 20 DJED N#Cc1ccc(CNCc2ccc(C3CCCCC3)cc2)s1 552060976 SQPJVUGDXIITQM-UHFFFAOYSA-N 310.466 4.957 30 20 DJED C=C[C@H](CC(=O)Nc1cccc(F)c1Cl)c1ccccc1 558263789 JJPHIDOKHFEPQQ-GFCCVEGCSA-N 303.764 4.778 30 20 DJED C[C@H]1CCCC[C@@H]1c1noc([C@@H]2C[C@H]2c2cccc(C#N)c2)n1 568978669 ZFJWVJNKUPUBRG-OSMBCOQSSA-N 307.397 4.506 30 20 DJED CC[C@H](C)Sc1ccc(NC(=O)C2(C#N)CCC2)c(C)c1 571362385 PEROMPIEXXMSFZ-ZDUSSCGKSA-N 302.443 4.518 30 20 DJED CC(=O)c1ccc2cc(Oc3nccc(C#N)c3Cl)ccc2c1 587991892 IFTBJJJQJLIBKW-UHFFFAOYSA-N 322.751 4.755 30 20 DJED Cc1ccccc1[C@@H](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 609695046 UDFVBIJKKSBLTE-ZDUSSCGKSA-N 312.800 4.652 30 20 DJED CC[C@@H](C)CCCCC(=O)N[C@H](CCC#N)c1ccccc1 612051368 NIPPFSNAOIRZIA-SJLPKXTDSA-N 300.446 4.754 30 20 DJED Clc1cccc(C=NNc2cccc3cnccc23)c1Cl 728432077 MDOWGTFCFOAMSJ-UHFFFAOYSA-N 316.191 4.988 30 20 DJED O=C(/C=C\c1ccccc1F)c1nc(-c2ccccc2)cs1 730085354 OVWHLMBMFDNLJR-KHPPLWFESA-N 309.365 4.845 30 20 DJED C=CCCCCCN(C)C(=O)c1cc2c(F)cccc2s1 739653919 JCWZFPPTMLYSJZ-UHFFFAOYSA-N 305.418 4.859 30 20 DJED Fc1ccc([C@@H]2CCCC2=NNc2nncc3ccccc23)cc1 741160828 ZXGBCMKINDDNDB-INIZCTEOSA-N 320.371 4.505 30 20 DJED C=CCCCCCN(C)C(=O)/C=C\c1cnc(C(C)(C)C)s1 742697293 VFVQIJXVTRCODU-QXMHVHEDSA-N 320.502 4.659 30 20 DJED C[C@@H](OC(=O)[C@H](C)c1cccc(Cl)c1)c1ccc(C#N)cc1 748680714 VVAXLZVEEZNQPN-CHWSQXEVSA-N 313.784 4.620 30 20 DJED C=C[C@H](CC(=O)N[C@H](CC)c1ccccc1OC)c1ccccc1 758401914 LORLHIIYPYKUJE-VQIMIIECSA-N 323.436 4.622 30 20 DJED COc1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1F 769718687 SRNDJXRTURUWLB-UHFFFAOYSA-N 314.143 4.597 30 20 DJED C=C(C)[C@H](N[C@H](C)c1cccnc1Cl)c1ccc(F)c(F)c1 775557198 GSMSBQSTGGQLKS-BZNIZROVSA-N 322.786 4.981 30 20 DJED CCSc1cccc(N[C@H](C)c2ccc(C#N)c(F)c2)c1 777689745 QPMJAOUOOUZXIR-GFCCVEGCSA-N 300.402 4.982 30 20 DJED CC(C)(CCC#N)CNc1cc(F)c(N2CCCCC2)c(F)c1 778646053 GCVPKSPTFNWKFT-UHFFFAOYSA-N 321.415 4.697 30 20 DJED C=C[C@](C)(CCOC)C(=O)Nc1ccc(-c2ccccc2)cc1 782197323 IPYYTSKMRLWKLA-HXUWFJFHSA-N 309.409 4.521 30 20 DJED O=C1/C(=C\c2ccc([N+](=O)[O-])cc2Cl)CCc2sccc21 783705770 CUEXVSFDPUWBJI-YFHOEESVSA-N 319.769 4.522 30 20 DJED CCC[C@](C)(CC)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 796694563 WMQKQWWYGWCRBA-PXAZEXFGSA-N 318.417 4.828 30 20 DJED CC(=NNc1ncnc(Cl)c1C(C)C)c1cc(C)ccc1C 797405530 ZIZSAEAHILGAKU-UHFFFAOYSA-N 316.836 4.706 30 20 DJED C#CC[C@@H](N[C@H]1CCCc2c1[nH]c1ccccc21)c1ccccc1 808708552 MXMVTBIIFLNUDU-CTNGQTDRSA-N 314.432 4.900 30 20 DJED CCCCCCCCCSc1nnc(-c2cccnc2)n1C 915790631 AQBDQFNTOHISRZ-UHFFFAOYSA-N 318.490 4.720 30 20 DJED CO[C@@H]1CCCCC1=NNc1cc(C)c2ccc(C)c(C)c2n1 915955922 LTHWYACYTMKPRS-QGZVFWFLSA-N 311.429 4.517 30 20 DJED O=C(/C=C\c1cccc(O)c1)c1ccc(N2CCCCCC2)cc1 916132462 HEBPXLXVHJCLEY-JYRVWZFOSA-N 321.420 4.669 30 20 DJED CC(=NNc1cccc(Cl)c1)c1cccc(OC(F)F)c1 916269290 DLQGPKMBUBAOQA-UHFFFAOYSA-N 310.731 4.778 30 20 DJED C=C[C@H](CC)CC(=O)Nc1cc(NC(=O)CCC)ccc1Cl 935156992 DSUHNMAPGFLEJR-GFCCVEGCSA-N 322.836 4.619 30 20 DJED CNc1ccc(C)cc1CN(Cc1ccc(C#N)cc1)CC(C)C 1180154797 XOXOMKSDJBFGQO-UHFFFAOYSA-N 321.468 4.567 30 20 DJED Cc1ccc(CC2CCN([C@H](C)c3ccc(C#N)cc3)CC2)cc1 1192470561 CXTXRKRUTOYUAK-GOSISDBHSA-N 318.464 4.882 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C)ccc1C 1310093333 SNNVPNXRVAHXSS-UHFFFAOYSA-N 321.424 4.619 30 20 DJED Cc1c(C#N)cccc1NC(=O)N1C[C@H](C(C)C)c2ccccc21 1310418234 OVBLZGDYDPPLFV-QGZVFWFLSA-N 319.408 4.658 30 20 DJED CC(C)(C)C1CCC(CC(=O)[C@@H](C#N)c2cccc(F)n2)CC1 1342639157 XBWWMKDEWAMFJM-NRXISQOPSA-N 316.420 4.640 30 20 DJED C=C(Br)CN[C@H](c1oc2ccccc2c1C)C(C)C 1459857565 JMBXAOJIKNEMQS-HNNXBMFYSA-N 322.246 4.937 30 20 DJED C[C@@H](CC(=O)Nc1cc(C#N)c2ccccc2n1)C1CCCCC1 1459910835 DJQOAZBZUVNOCD-AWEZNQCLSA-N 321.424 4.651 30 20 DJED N#Cc1cccnc1N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 1472809237 MVRXFELVEKTDPZ-YOEHRIQHSA-N 311.816 4.745 30 20 DJED CCCc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 1474185706 XZRRIXHMJOGIPT-NRFANRHFSA-N 304.437 4.678 30 20 DJED Cc1ccc(-c2ccccc2NC(=O)c2ccc(C#N)cc2)s1 1535030130 XOFFIYUBQAPJPL-UHFFFAOYSA-N 318.401 4.848 30 20 DJED Cc1cc(N[C@@H](C)c2cc(Cl)ccc2Cl)ncc1C#N 1559171536 WRFHWQJNJIKSEC-JTQLQIEISA-N 306.196 4.742 30 20 DJED C[C@H](CSc1ccc(C#N)cn1)c1ccc(C(F)(F)F)cc1 1559358220 CAABFZNHNCXSAM-LLVKDONJSA-N 322.355 4.868 30 20 DJED Cc1nc(N2CC3(CCCCC3)[C@@H]2c2ccccc2)ccc1C#N 1612459335 RKOOCZXSSGGMKS-FQEVSTJZSA-N 317.436 4.774 30 20 DJED C[C@H]1CCN(Cc2ccc(Cl)cc2C#N)[C@H](c2ccco2)C1 1657407679 SZIKKIVGDDBQEE-GUYCJALGSA-N 314.816 4.778 30 20 DJED C=C(CNC(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C)c1ccccc1 1686699493 XLNHEWXUMNAYDA-QZTJIDSGSA-N 314.473 4.556 30 20 DJED CCOc1cc(/C=C/C(=O)c2oc3ccccc3c2C)ccc1O 26763384 NTUKHLPIXMGYNU-PKNBQFBNSA-N 322.360 4.742 30 20 DJED C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(C#N)cc1)C1CC1 45397546 RTUOOQGGANULIP-CYBMUJFWSA-N 324.811 4.577 30 20 DJED C[C@@H]1CC[C@@H](C)N1CCC(C#N)(c1ccccc1)c1ccccc1 60128900 JZKKWPZBJCRTTF-RTBURBONSA-N 318.464 4.759 30 20 DJED CSc1ccc(CSCCOc2ccccc2C#N)cc1 60521873 VBMDUHJYVLMLTR-UHFFFAOYSA-N 315.463 4.592 30 20 DJED N#CCCSc1ccccc1NC(=O)CC1CCCCC1 108202017 PHTVWXJNHKUQBE-UHFFFAOYSA-N 302.443 4.601 30 20 DJED CCCCCCC[S@@](=O)[C@@H](C)c1nc(-c2ccccc2)no1 133487591 XSSLXXJXBBKXQF-FPTDNZKUSA-N 320.458 4.517 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(F)cc1Cl 198226097 GCEPHEHTDINKAT-UHFFFAOYSA-N 318.779 4.699 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@@H](c2ccccc2)c2cccc(F)c2)C1 249038854 UEPKTYMUKMWSKN-XPGWFJOJSA-N 308.400 4.587 30 20 DJED N#CC1(CCCSC/C=C/c2ccccc2)CCOCC1 282028958 YAVWJRDGWRHYIG-XBXARRHUSA-N 301.455 4.534 30 20 DJED Cc1occc1SCc1ccc(Br)cc1C#N 310425345 ZXWIONYQFCWNMI-UHFFFAOYSA-N 308.200 4.515 30 20 DJED C=CCC[C@@H](NCc1cccnc1)c1ccc(C(F)(F)F)cc1 342224944 OFIBZIMXBVIHCE-QGZVFWFLSA-N 320.358 4.898 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@@H]1CCc2ccc(C#N)cc21 353429235 TUJDVLYXUDHSJZ-RTBURBONSA-N 320.436 4.750 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)c1cccc(Cl)c1F 436293852 DWCFSJHBBFQCMY-PVUWLOKVSA-N 311.828 4.501 30 20 DJED CC1(C#N)CCC(N[C@H](CCc2ccccc2)C(F)(F)F)CC1 449222906 FAWMDLDFXMYNRX-AQFXKWCLSA-N 324.390 4.612 30 20 DJED N#CCc1cccc(NC(=O)N2CCCC[C@@H]2c2ccccc2)c1 455908636 RESLGBOSQSSLRO-LJQANCHMSA-N 319.408 4.512 30 20 DJED C=CCCCC(=O)N(CC)Cc1ccc(Cl)c(Cl)c1 480738344 WWYJMDDQFDFPCZ-UHFFFAOYSA-N 300.229 4.698 30 20 DJED CCC1(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 487556619 HGTCCBMSYDXZBP-UHFFFAOYSA-N 324.355 4.618 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1cc2ccc(F)cc2[nH]1 488554858 GIJIEBBCVTYNKL-UHFFFAOYSA-N 323.371 4.578 30 20 DJED N#Cc1ccc(NCc2ccc(-n3cnc4ccccc43)cc2)cc1 489306087 QNWJTVKSBNVOJH-UHFFFAOYSA-N 324.387 4.509 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1csc2c1CCCC2 493203590 UVSASQZMHNWVND-UHFFFAOYSA-N 317.479 4.517 30 20 DJED Cc1ccc(OCCCC2(C#N)CCOCC2)c(C(C)(C)C)c1 499910720 ZEPQUOVNEFRZTI-UHFFFAOYSA-N 315.457 4.772 30 20 DJED C=CCCC(=O)N1CCCCC[C@@H]1Cc1ccccc1Cl 508442873 DIPUIEPPWHHGEH-MRXNPFEDSA-N 305.849 4.620 30 20 DJED C=CC[C@@H](C)NC(=O)c1ccc(-c2cccc3cccnc23)cc1 512740092 NMXWBPRTJFLFOK-OAHLLOKOSA-N 316.404 4.596 30 20 DJED CC(C)(C#N)CCSCc1cc(-c2ccc(F)cc2)no1 515907628 LXFCCCGUWLKGQH-UHFFFAOYSA-N 304.390 4.654 30 20 DJED CC(C)c1nccn1Cc1ccc(-c2ccccc2C#N)cc1 534069252 DNCXDPGLKHVWOC-UHFFFAOYSA-N 301.393 4.593 30 20 DJED C=CCCC[C@@H](C)NC(=O)Nc1ccccc1N1CCCCC1 540538476 UCEDPQRPHOBJNN-MRXNPFEDSA-N 315.461 4.543 30 20 DJED N#Cc1cccc(CSCc2ncc(Cl)cc2Cl)c1 540725177 UJBRKLHHHQFBRV-UHFFFAOYSA-N 309.221 4.693 30 20 DJED C=C[C@H](CC(=O)Nc1cccc2ccc(O)cc12)c1ccccc1 543015533 JBDHYMIAHWYCJS-OAHLLOKOSA-N 317.388 4.844 30 20 DJED Cc1ccccc1N(C(=O)c1cc(C#N)ccc1Cl)C(C)C 570123117 OBCPYFZIMLJLDN-UHFFFAOYSA-N 312.800 4.575 30 20 DJED C[C@H](Nc1ncc(C#N)cc1Cl)c1nc(C(C)(C)C)cs1 579265495 MBXLXKUXDZVQSY-VIFPVBQESA-N 320.849 4.534 30 20 DJED CC(C)c1ccc(CC2CCN([C@H]3CC[C@H](C#N)C3)CC2)cc1 583825137 DRGICLXIAVHARB-FPOVZHCZSA-N 310.485 4.757 30 20 DJED Cc1ccc(CCCC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 603755095 QDLJAAXMMOURIO-UHFFFAOYSA-N 320.436 4.758 30 20 DJED N#Cc1ccc(NC(=O)N2CCC[C@@H]2CC2CCCCC2)cc1 604509034 KWMCUAXFEHCBQM-GOSISDBHSA-N 311.429 4.525 30 20 DJED Cc1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1C 609378155 XWIJWCFQVJIAQS-ZDUSSCGKSA-N 324.449 4.808 30 20 DJED CCCCCC[C@H]1CCCC1=NNc1ccc([N+](=O)[O-])cn1 728156258 DLCMJSPDZRSSTQ-ZDUSSCGKSA-N 304.394 4.528 30 20 DJED Cc1cccc(-c2n[nH]cc2/C=C\C(=O)c2ccc(F)cc2F)c1 728786387 VSZZAEGXHYYGPF-YVMONPNESA-N 324.330 4.559 30 20 DJED CC(C)c1ccc(NC(=S)N(CCC#N)CC(C)(C)C)cc1 729646173 OXYLGUKCFPGHSG-UHFFFAOYSA-N 317.502 4.769 30 20 DJED Cc1ccc(NN=Cc2cc(Cl)ccc2Br)cc1 743417865 OQZFCSSBGDUXCE-UHFFFAOYSA-N 323.621 4.857 30 20 DJED C=C(Br)CN(C)[C@H](C)c1cccc(C(F)(F)F)c1 746653994 XINPEHRZZUAOET-SNVBAGLBSA-N 322.168 4.607 30 20 DJED C(=NNc1cccc2ccccc12)c1cnc([C@@H]2CCCO2)s1 755679066 BRYSNAJFEHUDER-KRWDZBQOSA-N 323.421 4.594 30 20 DJED COc1ccc(NN=Cc2ccc(F)c(Cl)c2Cl)cc1 761828905 VCQLEUJLQWXOMX-UHFFFAOYSA-N 313.159 4.587 30 20 DJED Clc1ccc(CNN=Cc2cccc(-c3cccnc3)c2)cc1 768485282 NXWLUEJQDGUZJK-UHFFFAOYSA-N 321.811 4.526 30 20 DJED C(=NN(c1ccccc1)c1ccccc1)c1cccc2nccn12 771095586 CBBHAOWTKVJTCU-UHFFFAOYSA-N 312.376 4.507 30 20 DJED C=C(Cl)CN[C@H]1CCCc2nc(-c3ccccc3F)sc21 773005608 SGOMNZHUBRUOQJ-ZDUSSCGKSA-N 322.836 4.669 30 20 DJED CCOc1cc(N[C@H](CC)c2ccc(C#N)cc2)ccc1OC 774280140 DQDVBGHMILETPD-QGZVFWFLSA-N 310.397 4.529 30 20 DJED CC[C@H]1CC[C@H](C(=O)[C@H](C#N)c2ccc3ccccc3n2)CC1 783068386 SPCWZJWXMYWNAB-DJIMGWMZSA-N 306.409 4.627 30 20 DJED COc1c(C)cc(C(=O)/C=C/c2ccc(Cl)nc2)cc1Cl 794725186 VVMGGCRLMOCWAZ-HWKANZROSA-N 322.191 4.602 30 20 DJED C[C@@H](OC(=O)/C=C\c1ccccc1C#N)c1ccc(Cl)cc1 799635947 DBNZTIHPLYCFEM-BIRHUZIMSA-N 311.768 4.529 30 20 DJED CSc1ccc(C(C)=NN[C@H](C)c2ccncc2)c(Cl)c1 819817221 YNYWMUOZNBSXFL-LLVKDONJSA-N 319.861 4.532 30 20 DJED Clc1ccc(CNN=Cc2ccccc2Cl)c(Cl)c1 914696352 CBLGMWZSWOIQRC-UHFFFAOYSA-N 313.615 4.771 30 20 DJED O=C(/C=C\c1cccc2c1OCO2)c1ccc(Cl)cc1Cl 915980941 DYQLNQOTVWGQKB-DAXSKMNVSA-N 321.159 4.618 30 20 DJED C=CCCO[C@H](C)C(=O)O[C@H](C)c1ccc(Cl)c(Cl)c1 921218919 MOFFKHGDUOQOTD-GHMZBOCLSA-N 317.212 4.579 30 20 DJED N#Cc1cc(F)ccc1CN1CC2(CCCC2)[C@H]1c1ccccc1 1170905235 NBOPFFGZDGONGM-HXUWFJFHSA-N 320.411 4.815 30 20 DJED Cc1cccc([C@@H]2CCCN2c2nc(C(C)(C)C)ccc2C#N)c1 1184982735 MLRYQTKNDRKYCY-SFHVURJKSA-N 319.452 4.901 30 20 DJED Cc1nsc(NCCc2cccc(-c3ccccc3)c2)c1C#N 1187130779 SHYIJRBKOLITJO-UHFFFAOYSA-N 319.433 4.645 30 20 DJED N#C[C@@H]1CC[C@H](Sc2ncc(-c3ccc(Cl)cc3)[nH]2)C1 1190251247 WRTLXCVSULKSFQ-MFKMUULPSA-N 303.818 4.514 30 20 DJED N#Cc1c(F)cccc1CN[C@H](C1CCCCC1)C1CCC1 1206410057 NCZTUZKVMPIBEV-LJQANCHMSA-N 300.421 4.536 30 20 DJED Cc1cccc(Oc2ccc(Nc3cccc(C#N)n3)cc2)c1 1306910381 FCFUFMUDYJBXPD-UHFFFAOYSA-N 301.349 4.798 30 20 DJED Cc1cccc(C)c1CSc1nc2c(c(C)c1C#N)CCC2 1307272047 FWLXLFQUQYSTBL-UHFFFAOYSA-N 308.450 4.660 30 20 DJED Cc1ccc2ncc(C#N)c(OCc3sccc3Cl)c2c1 1307349264 KHUYKPJFJXXMAR-UHFFFAOYSA-N 314.797 4.709 30 20 DJED C[C@H](CNc1cccc(CC#N)n1)c1c(Cl)cccc1Cl 1324084781 BUDUEQDTFOZVTA-LLVKDONJSA-N 320.223 4.670 30 20 DJED C[C@H](NCCCCC1(C#N)CCC1)c1nc2ccccc2s1 1334770384 CYVNJNLAWFRTEZ-AWEZNQCLSA-N 313.470 4.811 30 20 DJED CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1361170772 LESBEXNVYZABOC-SMDDNHRTSA-N 324.346 4.732 30 20 DJED CC[C@@H]1CN(Cc2ccc(C#N)cc2F)CC[C@H]1c1ccccc1 1461879466 FBPOUSCJHKRJNW-YLJYHZDGSA-N 322.427 4.713 30 20 DJED CC(C)CCN(CCC#N)Cc1ccc(Oc2ccccc2)o1 1461900096 PXMBMQCQLRICGO-UHFFFAOYSA-N 312.413 4.834 30 20 DJED Cc1c(C#N)cccc1C(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C 1518904280 FDWQCUFGFHLZML-SFHVURJKSA-N 324.399 4.523 30 20 DJED C[C@H]1CC[C@H](C(=O)Nc2sc3c(c2C#N)CCCCCC3)C1 1526034142 NGOZRDVXICKVLQ-STQMWFEESA-N 316.470 4.653 30 20 DJED Cc1nsc(NC[C@H](c2ccc(Cl)cc2)C(C)C)c1C#N 1559185502 UPXIHLQDAKESKJ-HNNXBMFYSA-N 319.861 4.828 30 20 DJED N#Cc1ccc(CN2CCC[C@@H](Cc3ccccc3)C2)c(Cl)c1 1559528289 ZDWOVCSMHAIPMW-SFHVURJKSA-N 324.855 4.666 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2CCC[C@@H]2c2ccc(F)cc2)n1 1611766365 MWKCUQSBEOZNNY-QGZVFWFLSA-N 323.415 4.731 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1NC[C@@H]1Cc2ccccc21 1611840087 YSQNPRBQMFVWBA-ZDUSSCGKSA-N 319.795 4.512 30 20 DJED C[C@@H](SCc1ccc(OCC#N)cc1)c1ccccc1F 1640883769 OJHAEILLGWYYKC-CYBMUJFWSA-N 301.386 4.722 30 20 DJED CCc1nc(C(C)C)ccc1COc1cc(Cl)cc(C#N)c1 1641172942 KZGOEEUEUITPGW-UHFFFAOYSA-N 314.816 4.871 30 20 DJED Cc1cc(NCC(c2ccccc2)c2ccccc2)ncc1C#N 1651293806 PSVHGYZPQUGNSO-UHFFFAOYSA-N 313.404 4.506 30 20 DJED CC(C)(C)c1ccc(C#N)c(NC[C@@H](c2ccccc2)C2CC2)n1 1651890300 DXBGPCHQXALEIK-SFHVURJKSA-N 319.452 4.856 30 20 DJED CSc1ccccc1[C@@H](C)NCCC1(C#N)CCCCC1 1654269210 SPMPXIAQCXOVAV-OAHLLOKOSA-N 302.487 4.923 30 20 DJED Cc1cc(C)cc(C2=CCN(Cc3ccc(F)c(C#N)c3)CC2)c1 1657829655 DGWZBCYUPJPECY-UHFFFAOYSA-N 320.411 4.604 30 20 DJED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(F)c1 21217073 UFYAJTQACXBXPD-UHFFFAOYSA-N 316.335 4.617 30 20 DJED Cc1ccc(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 66801454 WZOSMSTYYXPWOM-HNNXBMFYSA-N 324.449 4.571 30 20 DJED CC(C)Oc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 78968522 UJAVHPTXOYSZOK-CVEARBPZSA-N 308.425 4.757 30 20 DJED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 131830413 YTDPZZPXQXDQQY-HXUWFJFHSA-N 322.452 4.990 30 20 DJED Cc1ccc(CNCC(C)(C)CCC#N)c(OC(C)(C)C)c1 150967012 LNTLFDBTJRKNIE-UHFFFAOYSA-N 302.462 4.592 30 20 DJED Cc1nc(C(C)C)sc1[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 154322756 FQSKIUSNQUOMJD-QWHCGFSZSA-N 313.470 4.858 30 20 DJED CCCC(C#N)(CCC)NC(=O)c1cc(C)c(C)cc1Cl 181064983 KYWXOIVLGHBWGL-UHFFFAOYSA-N 306.837 4.549 30 20 DJED CC(C)CCOc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1 236584961 FKHLITSYWUBELS-KRWDZBQOSA-N 322.452 4.834 30 20 DJED CC[C@@H](C#N)Oc1cccc(CNC/C(C)=C/c2ccccc2)c1 237019820 WIUNQXHUIJWYRJ-KZFLWGQDSA-N 320.436 4.561 30 20 DJED CCCCCCCCCC(=O)N[C@H](C)c1nc2ccccc2[nH]1 321315786 DUODHMILCHPIHX-OAHLLOKOSA-N 315.461 4.881 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1oc2c(C)ccc(C)c2c1C 431838611 UNYHBKGXIGOUGJ-UHFFFAOYSA-N 318.376 4.790 30 20 DJED N#C[C@H]1CCC[C@H](Nc2ccccc2COCc2ccccc2)C1 447583613 BULPYDGRURDDQF-ICSRJNTNSA-N 320.436 4.898 30 20 DJED CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccccc1S[C@@H](C)CC#N 448944821 TZCKZCCQRQZKAO-RRFJBIMHSA-N 316.470 4.702 30 20 DJED C=CCSc1ccccc1NC(=O)CS[C@@H](C)C(C)C 463226186 VUYIPTVPJMGSOJ-ZDUSSCGKSA-N 309.500 4.681 30 20 DJED CC(C)(C)CCCC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 464951341 JMTMHFFYNOIDLU-QZTJIDSGSA-N 312.457 4.501 30 20 DJED CC#CCCCC(=O)Nc1cc(Cl)c(OCC)c(Cl)c1 466282573 FVAOGFUFVWVOSA-UHFFFAOYSA-N 314.212 4.524 30 20 DJED N#Cc1ccc(SCC(=O)Nc2ccc(C3CCC3)cc2)cc1 470488862 ZBOWNMZJXQSNOC-UHFFFAOYSA-N 322.433 4.557 30 20 DJED N#C[C@@H]1CC[C@H](N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 471606614 OIPQYUNDIBSKGX-UXPWSPDFSA-N 324.855 4.906 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)c1ccccc1 475303103 NKFJPELKEIQUEA-ZDUSSCGKSA-N 319.857 4.720 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1ccc2c(ccn2CCC)c1 488303010 VUZQNFGBAFNPHR-KRWDZBQOSA-N 311.429 4.624 30 20 DJED C[C@H](F)CCN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 509007271 OUOFYKACTJAUBC-GZMMTYOYSA-N 317.248 4.647 30 20 DJED Cc1ccccc1[C@@H](C)c1noc(-c2ccc(C#N)c(Cl)c2)n1 515708568 QRHNHBBVYQFMHW-GFCCVEGCSA-N 323.783 4.722 30 20 DJED CCCc1ccc(C(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)cc1 516779982 BJLKFRHBJIIQBR-INIZCTEOSA-N 320.436 4.734 30 20 DJED C=CCn1c(C)nnc1S[C@H](C)c1ccc(C(C)(C)C)cc1 522769914 RYUDZQDUKKUPBN-CYBMUJFWSA-N 315.486 4.923 30 20 DJED C=CC1CCN(C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 524660988 CHVOJMNUNZGZFZ-HOTGVXAUSA-N 324.251 4.522 30 20 DJED CC(C)Oc1ccccc1CSc1ccc(C#N)cc1F 524727240 PNGUGCAFOSNGFC-UHFFFAOYSA-N 301.386 4.777 30 20 DJED Cc1ccc([C@@H](Cc2ccccc2)NCCCCC#N)cc1C 532216718 XOZDWNUXQIBGKM-OAQYLSRUSA-N 306.453 4.871 30 20 DJED CCC[C@@H](NCc1cccc(C#N)c1F)c1ccc(F)cc1F 539328710 ZCNZKQURWHWXSY-QGZVFWFLSA-N 318.342 4.607 30 20 DJED N#CCC[C@@H](Nc1ncc(Cl)cc1Cl)c1ccccc1 557643165 GXSVAYAQTOJSPJ-CQSZACIVSA-N 306.196 4.845 30 20 DJED C[C@@H](Nc1ccc(F)cc1OCC1CC1)c1ccc(C#N)cc1 558086435 ZCPZRXIZKOQKNC-CYBMUJFWSA-N 310.372 4.659 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C 558315545 JXIPKRDTLUZLRY-ZBFHGGJFSA-N 313.445 4.545 30 20 DJED C=CCOc1ccccc1CN[C@@H]1CCc2sc(Cl)cc21 558479902 DWVNPDRXCOYPKU-CQSZACIVSA-N 319.857 4.743 30 20 DJED CC(C)(CCC#N)CNCc1ccc(-c2ccccc2F)s1 588929549 ORKXOGHBLXYNOX-UHFFFAOYSA-N 316.445 4.974 30 20 DJED Cc1ccccc1[C@@H](C)CC(=O)Nc1sc(C)c(C)c1C#N 609692813 BATVYDZIESIZPK-LBPRGKRZSA-N 312.438 4.677 30 20 DJED C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCC[C@@H](C)C3)c2C#N)C1 610167936 DVHDUQHMZMQZMV-UPJWGTAASA-N 316.470 4.509 30 20 DJED CC(C)Oc1cccc(CSc2ccc(C#N)cc2F)c1 610219023 NWTXYCMWAADMEC-UHFFFAOYSA-N 301.386 4.777 30 20 DJED CC[C@H](C)CCCCC(=O)N[C@H](CCC#N)c1ccccc1 612051367 NIPPFSNAOIRZIA-FUHWJXTLSA-N 300.446 4.754 30 20 DJED CC[C@@H](C)CCCCC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 612052367 WRNWYMLTWGUUFV-QGZVFWFLSA-N 324.468 4.780 30 20 DJED CC(=NNc1cccc2cnccc12)c1ccc(F)cc1Cl 728432529 VUZXUULTLAIVRI-UHFFFAOYSA-N 313.763 4.863 30 20 DJED O=C(/C=C/c1cc(C(F)(F)F)ccc1F)c1cccc(F)c1 733205494 XTAZZISESIQOEZ-QPJJXVBHSA-N 312.237 4.880 30 20 DJED Cc1ccsc1C(=O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1 733749694 UJGXKKWUENHLQH-HYXAFXHYSA-N 307.758 4.514 30 20 DJED Cc1ccc(C)c(/C=C/C(=O)c2c(Cl)nc3ccccn23)c1 737445572 AYRFIVMXQKFDFI-CMDGGOBGSA-N 310.784 4.501 30 20 DJED C#Cc1cccc(N(C(=O)c2cccc(F)c2Cl)C(C)C)c1 742673371 RFHABDJGIMRMKX-UHFFFAOYSA-N 315.775 4.516 30 20 DJED Cc1cc2cc(C(=O)/C=C/c3cnn(C(C)C)c3)oc2cc1C 749132773 RKAQRZUJXYMKSW-AATRIKPKSA-N 308.381 4.723 30 20 DJED C[C@H](OC(=O)[C@H](C)c1ccc(Cl)s1)c1ccc(C#N)cc1 750204740 LFDZNILTHSXUBT-MNOVXSKESA-N 319.813 4.681 30 20 DJED CSc1ccc(C(=O)/C=C\c2scnc2C)c(Cl)c1 765606402 VYYLOFLCMLZCNS-WAYWQWQTSA-N 309.843 4.723 30 20 DJED CC(C)c1ncc(/C=C2/CCc3ccc(F)cc3C2=O)s1 776191127 BURGJBVSKMJSAF-GHXNOFRVSA-N 301.386 4.618 30 20 DJED C[C@@H]1CCC[C@H](CC(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)C1 797569276 ACTIKDJYFNSVOL-HZSPNIEDSA-N 318.486 4.833 30 20 DJED Cc1cc(C(=O)/C=C/c2nc(-c3ccccc3)cs2)oc1C 799895566 CTBLVCVCHAEJLB-CMDGGOBGSA-N 309.390 4.916 30 20 DJED C=CC[C@@H](NC1CCC(OC2CCCC2)CC1)c1ccncc1 823887518 IJWUFHHTOOEKDQ-LYBXBRPPSA-N 314.473 4.559 30 20 DJED CC[C@@H](NCc1ccc(O[C@H](C)C#N)cc1)c1cc(C)ccc1C 858296069 NVNGNNPDMAKMME-DYESRHJHSA-N 322.452 4.835 30 20 DJED CCCCCCCc1nc(-c2cnc(O)c3ccccc23)no1 858836268 YFCOPHJQBNHASO-UHFFFAOYSA-N 311.385 4.503 30 20 DJED Cc1c(NCc2ccc(C#N)c(F)c2)cccc1C(F)(F)F 864019096 NNVOXNPKKMEDKJ-UHFFFAOYSA-N 308.278 4.637 30 20 DJED N#Cc1cc(F)cc(NCc2cc(-c3ccccc3)ccc2O)c1 864043593 MIWZOEJNKPFSKT-UHFFFAOYSA-N 318.351 4.682 30 20 DJED C=C1CCC(C(=O)Oc2ccc(-c3c(C)noc3C)cc2)CC1 890220194 FTXJOWXGYVJLSG-UHFFFAOYSA-N 311.381 4.610 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc(N3CCCCC3)cc2)cc1 916137014 AFKNFLCVKVMQHG-AUWJEWJLSA-N 321.420 4.582 30 20 DJED Cc1cc(C)cc(NN=Cc2ccc(CSC(F)F)o2)c1 916346789 UTSSOOCTIIXEKY-UHFFFAOYSA-N 310.369 4.798 30 20 DJED C[C@@H](/N=C\c1ccccc1O)c1ccc(OCC(F)(F)F)cc1 920387457 PJJHWPAMXBSYDT-RRSAXVHRSA-N 323.314 4.513 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)CCC1CCCCC1 1136838996 VNDTZNUBVUQDLQ-UHFFFAOYSA-N 313.445 4.679 30 20 DJED Cc1ccc(CNCc2ccc(C#N)cc2)c(OCCC(C)C)c1 1177981866 UMBNWMMQJNPZDB-UHFFFAOYSA-N 322.452 4.581 30 20 DJED O=C(CC#Cc1ccccc1)Nc1ccccc1-c1ccccc1 1252944354 ILMZGZSVZZGOTH-UHFFFAOYSA-N 311.384 4.734 30 20 DJED CC(C)CN(C(=O)C(C1CCC1)C1CCC1)c1ccc(C#N)cc1 1264412845 NVQQAXNQUGZDLK-UHFFFAOYSA-N 324.468 4.764 30 20 DJED Cc1ccc(C(C)(C)C)cc1Sc1ncc(C#N)cc1F 1306910826 IJDLCIOHFVWTNV-UHFFFAOYSA-N 300.402 4.850 30 20 DJED CC[C@H](Nc1ccc(OCC#N)cc1)c1cccc(Cl)c1F 1320235257 SPCMMEBQYPTLCE-INIZCTEOSA-N 318.779 4.945 30 20 DJED CC(=NNc1ccc(C)c(Cl)c1)c1ccc2c(c1)COC2 1329966372 JIRHXRGXCCVKQX-UHFFFAOYSA-N 300.789 4.515 30 20 DJED Cc1cc(Cl)c(NC(=O)[C@@H](CC#N)c2ccccc2)cc1C 1436374391 WSCJNMZWCRRDEP-HNNXBMFYSA-N 312.800 4.593 30 20 DJED Cc1cc(Oc2ccc(C(F)(F)F)cn2)c(C)c(C)c1C#N 1458361112 AKZSXQLFRFAKTO-UHFFFAOYSA-N 306.287 4.690 30 20 DJED CC(C)c1ccc2c(c1)[C@H](Nc1nc(C#N)c(Cl)s1)CC2 1472764355 FLHXLIGIXWFVPD-CYBMUJFWSA-N 317.845 4.891 30 20 DJED C/C(=C\c1ccccc1)CN[C@H]1CCCc2cc(C#N)ccc21 1474185645 VVUSITLVCWUGRO-AUFJSOOLSA-N 302.421 4.629 30 20 DJED Cc1ccc(C[C@@H](C#N)S[C@@H]2CCOc3ccccc32)cc1 1559385284 JJRICUMJLDWHQU-QFBILLFUSA-N 309.434 4.687 30 20 DJED CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1scc(C(C)(C)C)c1C#N 1595897974 WGIUVIDWFJJQJQ-NWDGAFQWSA-N 318.486 4.928 30 20 DJED Cc1nsc(Nc2cccc(Nc3ccccc3)c2)c1C#N 1639239782 WPDGNWCYYVHNOI-UHFFFAOYSA-N 306.394 4.810 30 20 DJED N#Cc1ccc(SCCc2ccccc2)cc1C(F)(F)F 1651898809 VHGUCDQJMGUQQB-UHFFFAOYSA-N 307.340 4.912 30 20 DJED C=C(Br)CN1C[C@@H](C(C)(C)C)Cc2ccccc21 1655320405 NXTUPAZKXRJPFD-AWEZNQCLSA-N 308.263 4.620 30 20 DJED CCCN(Cc1ccc(C#N)cc1)[C@@H]1CCCc2ccc(F)cc21 1656984508 JQAAHTIXTNKGHW-OAQYLSRUSA-N 322.427 4.987 30 20 DJED C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1ccccc1C(C)(C)C#N 1657320601 IBBCDBMGDOMACM-YLJYHZDGSA-N 318.464 4.866 30 20 DJED COc1cc(NCc2ccc(C#N)c(C)c2)ccc1C(F)(F)F 1657906389 MQRNUZXCLOHYST-UHFFFAOYSA-N 320.314 4.506 30 20 DJED C[C@H](NCCc1ccc(C#N)cc1)c1csc2ccccc12 1660542805 SCDXKIHWNDTULU-AWEZNQCLSA-N 306.434 4.666 30 20 DJED Cc1c(C#N)cccc1NC(=O)N1CCC(C)(C)CC(C)(C)C1 1669819799 FZIMOUWLMGCHHJ-UHFFFAOYSA-N 313.445 4.547 30 20 DJED CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(C#N)cc1 5610876 FCJUDHRDOHHLHK-UHFFFAOYSA-N 312.800 4.589 30 20 DJED O=C(O)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 7743546 IMKCBPZXZBMHKY-FPYGCLRLSA-N 321.159 4.588 30 20 DJED C=CCN(Cc1ccccc1)C(=O)c1cc2ccccc2s1 71873638 CWDMILPKQFEZHS-UHFFFAOYSA-N 307.418 4.730 30 20 DJED CC[C@H](C)CN(C)C(=O)Nc1ccccc1S[C@H](C)CC#N 111766937 JPHMVQUDEJRLLK-UONOGXRCSA-N 319.474 4.591 30 20 DJED CCCOc1ccc(N[C@@H](C)c2ccc(OCC#N)cc2)c(C)c1 182888223 JBZFPRRQSLOVKP-INIZCTEOSA-N 324.424 4.859 30 20 DJED COc1ccc(/C=C\C(=O)c2sc(C(C)(C)C)nc2C)cc1 206628049 IMGVEDYKZVIZEI-FLIBITNWSA-N 315.438 4.654 30 20 DJED C[C@H](Nc1ccc(Cl)cc1C#N)c1cccc(OC(F)F)c1 303236715 XRTRJCYDJQRWOC-JTQLQIEISA-N 322.742 4.986 30 20 DJED C[C@H](/N=C(/O)C1CCCC1)/C(O)=N/[C@@H]1CCCCC12CCCC2 329806395 LGPQDKDIVXLJCT-GOEBONIOSA-N 320.477 4.981 30 20 DJED COc1cc(CN(C)[C@H](C)c2cc3ccccc3o2)ccc1C#N 442805079 XQVCUMINYHGDTF-CQSZACIVSA-N 320.392 4.506 30 20 DJED CCSCc1cccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c1 462132789 HHWUEVLMWNFQAW-AWEZNQCLSA-N 324.449 4.554 30 20 DJED Cc1sc(NC(=O)C2(Cc3ccccc3)CCC2)c(C#N)c1C 466398343 JECFNDFEJLDGPY-UHFFFAOYSA-N 324.449 4.588 30 20 DJED N#C[C@H]1CCC[C@@H](N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 467445028 YKZLSIWPVILFIM-MHEUCROKSA-N 323.267 4.911 30 20 DJED C=CCC1(C(=O)N(C)Cc2cccc(Cl)c2Cl)CCC1 477770084 ADOABTIWXKMMRB-UHFFFAOYSA-N 312.240 4.698 30 20 DJED C=CCC[C@H](CC)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 480692176 YCWGLAUODUDYCR-KRWDZBQOSA-N 312.457 4.533 30 20 DJED CC(C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 497808857 KHYITGNPIIOHPO-GFCCVEGCSA-N 324.449 4.616 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)[C@H](c1ccccc1)C1CC1 499634446 JNVRPVUMZDBNRH-HXUWFJFHSA-N 323.411 4.534 30 20 DJED Cc1cc(C)cc(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 502391684 WSUVWUSXFVLSDX-UHFFFAOYSA-N 307.397 4.749 30 20 DJED Cc1ncsc1CCOc1ccc(-c2ccc(C#N)cc2)cc1 505433046 MQBWKYDWEQTFSN-UHFFFAOYSA-N 320.417 4.612 30 20 DJED CC1(CC(=O)Nc2ccccc2SCCC#N)CCCCC1 510549695 FIYYFMKRSVNQLP-UHFFFAOYSA-N 316.470 4.991 30 20 DJED CC[C@@H](CC(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)C 520826182 DRYNBMVERWPNIP-CABCVRRESA-N 318.486 4.949 30 20 DJED C=CCC[C@@H](NC(=O)c1cccc2[nH]ccc12)c1ccccc1 533261696 IDHIKLOQMPZBSY-GOSISDBHSA-N 304.393 4.605 30 20 DJED C=C[C@H](CC(=O)N[C@@H]1CCC[C@H]1c1ccccc1)c1ccccc1 534677703 OAYMEZUICZYTPT-JRGCBEDISA-N 319.448 4.799 30 20 DJED CC[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1F 539608571 RZBHNYKFBYPCRM-ADLMAVQZSA-N 318.342 4.777 30 20 DJED C[C@H](Nc1cccc(C#N)n1)c1ccc(-c2cccc(C#N)c2)cc1 543896780 XVYUJGDRTYXOHT-HNNXBMFYSA-N 324.387 4.665 30 20 DJED N#Cc1ccc(F)c(CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)c1 558739998 RURTUHNCISYGPG-FNLKRUPLSA-N 320.411 4.608 30 20 DJED C/C=C/c1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 561650529 FTLMSDHJONSQDU-NSCUHMNNSA-N 302.377 4.527 30 20 DJED CC(C)N(Cc1cccc(Cl)c1)C(=O)CCCCCC#N 588753009 OZPMUQXELBOOLA-UHFFFAOYSA-N 306.837 4.551 30 20 DJED CC(C)O[C@@H](CN[C@H](CCC#N)c1ccccc1)c1ccccc1 589990837 FLWXKJCEZNFVSU-RTWAWAEBSA-N 322.452 4.787 30 20 DJED CCC(CC)C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 603991512 ALPYPPBYIOKQQQ-UHFFFAOYSA-N 324.449 4.760 30 20 DJED C=C(C)COc1cc(CNc2cccc(C)c2C)ccc1OC 604062834 BKMWQTKUQOIPQB-UHFFFAOYSA-N 311.425 4.879 30 20 DJED CCC[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1cccc(C#N)c1 610360766 FRSFHZJUWMRUOQ-KXBFYZLASA-N 312.457 4.732 30 20 DJED Cc1cccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c1C 611093142 GYQPOVSYYRBTFQ-UHFFFAOYSA-N 319.191 4.734 30 20 DJED Cc1cc(C#N)ccc1CNC1(c2ccc(F)cc2)CCCC1 614401823 JPHIYYLDHZCWKS-UHFFFAOYSA-N 308.400 4.565 30 20 DJED C=CCOc1ccc(CN[C@@H](C)c2ccsc2)cc1Cl 669830914 BWCSHDIFMWRTRM-LBPRGKRZSA-N 307.846 4.817 30 20 DJED C=CCC(CC=C)C(=O)Nc1cc(F)ccc1N1CCCCC1 675152676 PAHLPPXWPBXAMV-UHFFFAOYSA-N 316.420 4.523 30 20 DJED CC[C@H](/N=C\c1c(O)ccc2ccccc12)c1nc(C)cs1 729641402 HCEGXTUMRSZCTJ-WSLMLHKMSA-N 310.422 4.881 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2ccc(SC(F)F)cc2)cc1 734981259 OZRWDWVSXPXJBQ-YHYXMXQVSA-N 315.344 4.769 30 20 DJED CCCCCC[C@H](C)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 741900988 OPMBWXVQSVNKMS-INIZCTEOSA-N 312.457 4.656 30 20 DJED CCCCC[C@@H](C)CC(=O)N[C@H](CCC#N)c1ccccc1 749044799 DRSFTNQLIRBXTE-SJLPKXTDSA-N 300.446 4.754 30 20 DJED C#CCN(CC)[C@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1 753160036 AGLZEJUYMCWQMP-LLVKDONJSA-N 323.223 4.665 30 20 DJED C=CC[C@H](N[C@H](C)c1cc2c(cc1O)CCCC2)c1ccncc1 756583534 PHAWPNGAGIWPPH-QRWLVFNGSA-N 322.452 4.634 30 20 DJED C=C[C@@H](CC(=O)OCc1ccc2ccccc2n1)c1ccccc1 758922125 WXFYHWOSDRODPG-INIZCTEOSA-N 317.388 4.638 30 20 DJED O=C(/C=C/c1ccc(C(F)(F)F)s1)c1cc(F)ccc1F 761475440 CWWZLJDOCNIKPR-GORDUTHDSA-N 318.266 4.941 30 20 DJED CCSc1cccc(/C=C\C(=O)c2ccc3c(c2)COC3)c1 769740494 GCXVMTKAAPJGKI-TWGQIWQCSA-N 310.418 4.725 30 20 DJED CC12CC3(C)CC(C)(C1)CC(C(=O)[C@H](C#N)c1ccccn1)(C2)C3 773977234 VKVVFDNSDWUPMG-HKOIMECGSA-N 322.452 4.645 30 20 DJED C=CCCOCCCCC(=O)Oc1cccc(Cl)c1Cl 776073465 OHFUYZHXIXCZBL-UHFFFAOYSA-N 317.212 4.662 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1cc(F)cc(Cl)c1 776720188 IUIYVNXNSUSUEY-WAYWQWQTSA-N 320.795 4.769 30 20 DJED C#CCOc1ccc([C@@H](C)Nc2ccc(COC(C)C)cc2)cc1 776872446 FJOFJMXGAALKJO-QGZVFWFLSA-N 323.436 4.797 30 20 DJED CCSc1cccc(N[C@@H](C)c2ccc(C#N)c(F)c2)c1 777689748 QPMJAOUOOUZXIR-LBPRGKRZSA-N 300.402 4.982 30 20 DJED Cc1ccsc1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1Cl 783706096 GUSFDTAPYDXZQE-HWKANZROSA-N 307.758 4.514 30 20 DJED CSc1ccc(CSc2snc(Cl)c2C#N)cc1 795268474 SJFWEUWJKNEZIU-UHFFFAOYSA-N 312.872 4.682 30 20 DJED CC(/C=C/C(=O)c1cccnc1)=C\c1ccccc1C(F)(F)F 799889693 RLUHLGLFXZTAQO-VKTMSVCMSA-N 317.310 4.943 30 20 DJED C[C@@H]1/C(=C/c2cnc(-c3ccco3)s2)C(=O)c2ccccc21 809156549 LHDRKZPNACAXOP-GPILYODUSA-N 307.374 4.787 30 20 DJED Cc1ccc(-c2ccc(C(=O)OC3(CC#N)CCC3)c(F)c2)cc1 810858043 IMUSPAILBYRORP-UHFFFAOYSA-N 323.367 4.794 30 20 DJED CSCc1cnc(/C=C\C(=O)c2cc(C)c(F)c(C)c2)s1 834424744 BDFOYNOUIITZRG-PLNGDYQASA-N 321.442 4.658 30 20 DJED CC(C)(C)SCCCC(=O)N(CC#N)c1ccc(Cl)cc1 843610649 LDFNIISBIMMMFY-UHFFFAOYSA-N 324.877 4.508 30 20 DJED C=C1CC(c2noc(-c3ccc(C4SCCS4)cc3)n2)C1 896889085 CFNHONOVWRFJAN-UHFFFAOYSA-N 316.451 4.649 30 20 DJED O=C(/C=C/c1ccc(F)cc1)c1sccc1Br 915112613 GFQYVMFIKHNQEP-ZZXKWVIFSA-N 311.175 4.546 30 20 DJED COc1ccc2ccccc2c1C=NNc1ccc(F)cc1F 916248078 JEQNVAYYOCOEOS-UHFFFAOYSA-N 312.319 4.573 30 20 DJED CCCCCC(=NNc1ccc(Cl)nn1)c1ccccc1 916288431 ZQIRFDFDWGWEAP-UHFFFAOYSA-N 302.809 4.527 30 20 DJED Fc1cccc(F)c1C=NNc1ccc(Cl)cc1Cl 916339477 GKDRRQLZKDGENY-UHFFFAOYSA-N 301.123 4.718 30 20 DJED C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)CC1(C#N)CCCCC1 1126089727 FLFBMXROCFQRBQ-LMMKCTJWSA-N 324.468 4.644 30 20 DJED CC[C@H](NC(=O)CC1(C#N)CCCCC1)c1ccc(Cl)s1 1126156730 NUZSNVLXIQSWRL-LBPRGKRZSA-N 324.877 4.833 30 20 DJED Cc1ccc(-c2csc(COc3ccc(C#N)cc3F)n2)cc1 1165833326 WWCCPOSENCHDAU-UHFFFAOYSA-N 324.380 4.708 30 20 DJED CC(C)c1ccc2c(c1)CCCN2Cc1ccc(C#N)cc1F 1180716539 ULKKTOBACOAMIQ-UHFFFAOYSA-N 308.400 4.774 30 20 DJED Cc1ccc(Nc2snc(C)c2C#N)cc1OCCC(C)C 1185466328 FIYXDBYFWOSLKD-UHFFFAOYSA-N 315.442 4.800 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C[C@@H](C)c1ccc(F)cc1 1204802806 FOJMRNPTJNUUFI-MRXNPFEDSA-N 310.416 4.713 30 20 DJED C[C@H]1[C@@H](C)Sc2ccccc2N1Cc1cccc(C#N)c1F 1307548815 MPQYXFCWUADMPJ-QWHCGFSZSA-N 312.413 4.587 30 20 DJED C=C[C@H](CC(=O)N[C@@H](CC)c1ccc(F)cc1)c1ccccc1 1320321551 MWXYSYMAMPMLFL-BEFAXECRSA-N 311.400 4.753 30 20 DJED CC[C@H](OC(=O)c1cccc(C#N)c1C)C(C)(C)c1ccccc1 1353950555 NUXODOXVQGLEAF-IBGZPJMESA-N 321.420 4.780 30 20 DJED C[C@@H](OC(=O)c1cccc(C2CCC2)c1)c1ccc(C#N)cc1 1354919169 OTFRNUDYTIJYQL-CQSZACIVSA-N 305.377 4.744 30 20 DJED CCN(C(=O)c1ccc(C#N)cc1F)c1cccc2ccccc12 1357132062 MJBVEKPJXRJKQS-UHFFFAOYSA-N 318.351 4.517 30 20 DJED CC(C)[C@@H](CC(=O)O[C@@H](C)c1cccc(C#N)c1)c1ccccc1 1457760925 RFPYNYYWGZHCDF-OXJNMPFZSA-N 321.420 4.992 30 20 DJED C=C(CNC(=O)[C@@H](C)c1cccc(CC(C)C)c1)c1ccccc1 1460673128 IZIRLKVOMCDVIR-SFHVURJKSA-N 321.464 4.818 30 20 DJED Cc1ccc(Cl)cc1Oc1ccccc1CNC[C@@H](C)C#N 1461815243 FFEXAOBKKINAOO-ZDUSSCGKSA-N 314.816 4.690 30 20 DJED CCCC[C@@H](COC)Nc1ccc(Oc2ccccc2)c(C#N)c1 1621275817 PLIDEVAIVZZNSC-SFHVURJKSA-N 324.424 4.968 30 20 DJED Cc1ccccc1[C@@H]1CCN(Cc2ccc(Cl)cc2C#N)C1 1644478595 OLLBAJBESLEHMT-MRXNPFEDSA-N 310.828 4.510 30 20 DJED N#Cc1ccc(CN(CC/C=C\c2ccccc2)C2CC2)cc1 1645015243 BIZXSQFFRSQSOG-YWEYNIOJSA-N 302.421 4.626 30 20 DJED N#Cc1ccc(SCc2cc(F)cc(Br)c2)cc1 1651768631 SZVVRAJKXPUUIB-UHFFFAOYSA-N 322.202 4.752 30 20 DJED Cc1cc(C)cc(C2CCN([C@@H](C#N)c3ccccc3)CC2)c1 1656407535 UEJIKZXZXFXYNH-NRFANRHFSA-N 304.437 4.748 30 20 DJED Cc1cc(CNCc2ccc(-c3cccs3)cc2)ccc1C#N 1656586329 QRKSZXODEZZKTL-UHFFFAOYSA-N 318.445 4.885 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CC(C)(C)C 66954373 IVJAQXGPTMFJMU-ZDUSSCGKSA-N 319.474 4.591 30 20 DJED CCCCN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 98028677 MURGEKLMUKIOGG-UHFFFAOYSA-N 323.396 4.614 30 20 DJED C=CCN(CC=C)C(=O)Nc1ccc(C(F)(F)F)cc1Cl 111768596 OPMVPUVRZXQYNN-UHFFFAOYSA-N 318.726 4.565 30 20 DJED C=CCCCCCN(C)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 156729201 KHGQYVQTXBCGED-KBPBESRZSA-N 305.384 4.560 30 20 DJED N#CCCCCN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 178640875 AQKWKQRSYXSORV-IBGZPJMESA-N 314.379 4.532 30 20 DJED CC(C)CC1(C(=O)Nc2ccccc2O[C@H](C)C#N)CCCC1 182056765 PDAUDGMPTUQHCN-OAHLLOKOSA-N 314.429 4.522 30 20 DJED C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1cc2ccccc2s1 302209728 YKFQKASHWSDXIO-NSHDSACASA-N 323.377 4.854 30 20 DJED C[C@H](CNCc1ccc(F)cc1C(F)(F)F)CC(F)(F)F 396898346 VOLHYOPBJCGLFA-QMMMGPOBSA-N 317.248 4.523 30 20 DJED CCCCOc1ccc([C@@H](C)NCc2ccc(C#N)s2)cc1 421867530 CDZQAOOPKBZLGW-CQSZACIVSA-N 314.454 4.649 30 20 DJED C=CCC[C@@H](NC(=O)N1CCC[C@H]1C1CCC1)c1ccccc1 435101091 NHZJWUHYINRCSL-MOPGFXCFSA-N 312.457 4.668 30 20 DJED C[C@H](C#N)C(=O)Nc1ccc(Cl)cc1-c1cccc(Cl)c1 447624403 MWVBCOPKMCVBBO-SNVBAGLBSA-N 319.191 4.759 30 20 DJED C=CCNC(=O)Nc1ccc(NCC[C@@H](C)c2ccccc2)cc1 447764288 IPGPYGABXNZOKF-MRXNPFEDSA-N 323.440 4.600 30 20 DJED C=CCCCC(=O)N1CCSc2ccc(C(F)(F)F)cc21 469240683 JPPZKSZPMSLAHV-UHFFFAOYSA-N 315.360 4.500 30 20 DJED N#C[C@@H]1CC[C@H](N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 471583830 BWMOQNIWKODGMY-CCKFTAQKSA-N 310.828 4.711 30 20 DJED CCCOc1cccc(NCc2ccccc2C(C)(C)C#N)c1 486437408 VNAOLNJOJLLQHH-UHFFFAOYSA-N 308.425 4.889 30 20 DJED CC(C)[C@@H](NCc1ccc(C#N)cc1F)c1ccccc1Cl 533445809 KFOCQAGNJOPGEV-GOSISDBHSA-N 316.807 4.838 30 20 DJED C=CCCc1csc([C@@H](CCC)NC(=O)c2ccccc2)n1 534879902 XXQUPJJCRAPYBJ-MRXNPFEDSA-N 314.454 4.533 30 20 DJED CC(C)[C@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1F 542853893 LZPDJXKHHUVAQF-SFHVURJKSA-N 316.807 4.838 30 20 DJED N#C[C@@H]1CC[C@@H](N[C@H](c2c(Cl)cccc2Cl)C2CC2)C1 549717879 JLBLABXUEUYOKL-SIVJFFJCSA-N 309.240 4.726 30 20 DJED C[C@H](NCc1cccc(C#N)c1F)c1ccc(F)c2ccccc12 556179671 VSCNPZJFSZQEHH-ZDUSSCGKSA-N 322.358 4.840 30 20 DJED CC[C@@H](C)CCNC(=O)Nc1ccccc1S[C@@H](C)CC#N 596732744 NQFDXFXADYEACO-KGLIPLIRSA-N 319.474 4.639 30 20 DJED COc1cccc(NN=Cc2ccc(-c3ccc(F)cc3)o2)c1 725852925 AHBWEPBSLXHZEL-UHFFFAOYSA-N 310.328 4.540 30 20 DJED O=C1/C(=C/c2ccnc3ccccc23)CSc2ccccc21 731835809 RGDKDAIJIMNGTK-SDNWHVSQSA-N 303.386 4.607 30 20 DJED CCN(C(=O)c1cc2c(F)cccc2s1)c1ccc(C#N)cc1 753173024 WTTKSRFSAYXVPP-UHFFFAOYSA-N 324.380 4.579 30 20 DJED C#CCOc1ccc([C@H](C)N[C@H](CC)c2ccccc2OC)cc1 764882623 NTMQVKINMLENIW-OXJNMPFZSA-N 323.436 4.509 30 20 DJED CC(=NNc1cc(F)c(F)c(F)c1)c1csc(C(C)C)n1 768775830 HIRCAGYEPBIQQQ-UHFFFAOYSA-N 313.348 4.520 30 20 DJED CSc1ccc2c(c1)CC/C(=C/c1ccc(C#N)cc1F)C2=O 772804040 BBMRBXSBOQSZPJ-DHDCSXOGSA-N 323.392 4.632 30 20 DJED C[C@H](C#N)Oc1ccccc1N[C@@H]1CC[C@@H](Cc2ccccc2)C1 783291512 PXQXNXCFZBCHIV-NZSAHSFTSA-N 320.436 4.801 30 20 DJED C[C@@H](NCc1ccc(C#N)cn1)c1ccc(-c2cccs2)cc1 783293467 IPMVTHIMMKANBO-CQSZACIVSA-N 319.433 4.533 30 20 DJED C/C(=C/c1cccc(Cl)c1)C(=O)Nc1scc(C)c1C#N 809005698 SWVXCDIGTPDPDE-POHAHGRESA-N 316.813 4.624 30 20 DJED CC1(C)C[C@@H](NN=C2CCCC[C@@H]2C2=CCCCC2)CCO1 814910413 UTXAAOLEXRUQKM-DLBZAZTESA-N 304.478 4.580 30 20 DJED O=C(/C=C/c1c(Cl)ccc(Cl)c1Cl)c1ccncc1 818194612 LHHNSYUMXXPNOF-DAFODLJHSA-N 312.583 4.938 30 20 DJED C=C(C)CNC(=S)N(CCC)[C@@H](C)c1cc2ccccc2o1 919717203 AXXZQPWDXFMNJD-AWEZNQCLSA-N 316.470 4.656 30 20 DJED N#Cc1ccc(NC(=O)C2(Cc3cccs3)CCCCC2)cc1 1124340473 BPJXBHYBZZHSBB-UHFFFAOYSA-N 324.449 4.751 30 20 DJED Cc1c(C#N)cccc1C(=O)O[C@@H](C)c1cccc(OC(C)C)c1 1128123576 POZFQMROUVPWKT-HNNXBMFYSA-N 323.392 4.572 30 20 DJED Cc1cc(C#N)cc(NC(=O)C[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 1129685844 RKHLUIIWUHHXJJ-OCCSQVGLSA-N 324.346 4.564 30 20 DJED N#CC1(CCNC2(c3ccc(F)cc3F)CCC2)CCCCC1 1168645725 UQMKYJAJHATUFG-UHFFFAOYSA-N 318.411 4.798 30 20 DJED CCN(Cc1c(OC(C)C)ccc2ccccc12)C[C@H](C)C#N 1190643867 PEFXXIYGPODFHI-MRXNPFEDSA-N 310.441 4.609 30 20 DJED CC(C)c1cccc2c1CCN([C@H](C)c1cccc(C#N)c1)C2 1194042259 PWAQYOPTVFYUQS-MRXNPFEDSA-N 304.437 4.801 30 20 DJED CCc1ccc2ccccc2c1CNCc1ccc(C#N)c(F)c1 1207502161 QLPFDSPTJGFQLL-UHFFFAOYSA-N 318.395 4.703 30 20 DJED Cc1c(C#N)cccc1C(=O)N1CCCCc2c(Cl)cccc21 1267881269 RZUQFXGGAKJGSW-UHFFFAOYSA-N 324.811 4.503 30 20 DJED CCCCC[C@H](CC)c1nnc(COc2ccc(C#N)cc2)o1 1327266931 DPNJADJBOXPQSC-HNNXBMFYSA-N 313.401 4.594 30 20 DJED N#Cc1ccc(-c2nnc([C@@H]3CC[C@H]4CCCC[C@H]4C3)o2)cc1 1345515032 YJKKGWRFDBIMLS-HYVNUMGLSA-N 307.397 4.682 30 20 DJED N#Cc1ccc(NC(=O)c2ccc(C3CCC3)cc2)cc1Cl 1352436144 WJYJBXBNPYJSOL-UHFFFAOYSA-N 310.784 4.731 30 20 DJED CC[C@H](C#N)N(CC)C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 1439680399 MRYVDJNFBBSTDQ-AYAHVVACSA-N 316.489 4.524 30 20 DJED C[C@@H](OC(=O)c1csc2ccccc12)c1cccc(C#N)c1 1457759544 IEMUZMQFUNVACP-GFCCVEGCSA-N 307.374 4.691 30 20 DJED CCN(c1ccnc(C#N)c1)[C@H](C)c1cccc(C(F)(F)F)c1 1458181837 SFNNOYFKMZEGPY-GFCCVEGCSA-N 319.330 4.560 30 20 DJED N#Cc1ccc(CCN[C@@H](CC2CCC2)c2ccccc2)cc1 1459860567 OHTUCXJBPJWTKU-NRFANRHFSA-N 304.437 4.622 30 20 DJED CC(C)[C@@H](CNc1nc(Cl)c(C#N)s1)Cc1ccccc1 1472763245 PNWPYTHFSPRJIE-CYBMUJFWSA-N 319.861 4.595 30 20 DJED CCC[C@]1(C)CCCN(Cc2ccc(C#N)cc2OC(F)F)C1 1473193100 RCRNYUXQBSEKRY-GOSISDBHSA-N 322.399 4.562 30 20 DJED CC1(C)CCCN(CC2CCC(c3ccccc3)CC2)[C@@H]1C#N 1473448806 LZBFIAGYQAZMPI-LYBXBRPPSA-N 310.485 4.975 30 20 DJED CC[C@H](C)[C@H](C(=O)O[C@H](C)c1cccc(C#N)c1)c1ccccc1 1516898194 CYFJPVZNROMABW-YRNRMSPPSA-N 321.420 4.992 30 20 DJED CC[C@@H](OC(=O)c1ccc(C)c(C#N)c1)c1ccc(F)c(C)c1 1521602200 WRCGIBYJBMFRMH-GOSISDBHSA-N 311.356 4.622 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 1537067545 HYCSHPQJCQJDNH-DJABAAGCSA-N 324.468 4.684 30 20 DJED CCc1ccc(N(CC(C)C)C(=O)c2ccc(F)c(C#N)c2)cc1 1543852727 OPVIGSBDMKJJMM-UHFFFAOYSA-N 324.399 4.563 30 20 DJED CCCC[C@H](CC)COc1cc(C#N)ccc1Br 1559451285 HTCWHXLBFHUOQF-LBPRGKRZSA-N 310.235 4.916 30 20 DJED Cc1cccc(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)c1 1588270256 AUQLNVFSVYSNOQ-QWHCGFSZSA-N 324.449 4.866 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1Nc1ccc2c(c1)CCC2 1611721154 IFEVYZLAYWYSCO-UHFFFAOYSA-N 319.795 4.992 30 20 DJED C[C@H](Nc1ccc(Cl)c(C#N)n1)c1ccc2c(c1)CCCC2 1639755519 ZVUWAVZYMBVANG-LBPRGKRZSA-N 311.816 4.659 30 20 DJED Cc1ccc([C@H]2C[C@H](C)N(Cc3ccc(Cl)cc3C#N)C2)cc1 1642921973 TUFRTRSXXWUTFA-KXBFYZLASA-N 324.855 4.898 30 20 DJED Cc1cc(C(=O)CSc2cccc(C#N)c2)c(C)c(C)c1C 1643742819 MPSAAYZNYGLFOU-UHFFFAOYSA-N 309.434 4.767 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@@H]1CNc1c(C#N)nnc2ccccc12 1651459558 IWTYZVORGKGLLP-GDBMZVCRSA-N 322.456 4.766 30 20 DJED Cc1cc(SCc2noc(C3CCCCC3)n2)ccc1C#N 1652058919 YSVHBKYGFNSFBL-UHFFFAOYSA-N 313.426 4.590 30 20 DJED C[C@@H]1CCC[C@@H](C)N1Cc1ccc(-c2ccccc2C#N)cc1 1652457342 YLWNZHBJTYZDNH-IAGOWNOFSA-N 304.437 4.988 30 20 DJED C[C@H](N[C@@H]1CC[C@H](Cc2ccccc2)C1)c1cccc(C#N)c1 1653101538 XARVSWFFBRRJEA-YRISNDGFSA-N 304.437 4.620 30 20 DJED CCCC(C)(C)N(Cc1cc(C#N)ccn1)Cc1cccs1 1654257484 DPSHZANWKYUGNX-UHFFFAOYSA-N 313.470 4.596 30 20 DJED Cc1c(Cl)cnc(N[C@H](C)c2ccc3c(c2)CCC3)c1C#N 1655337881 FCEFIPLJBPZLDU-GFCCVEGCSA-N 311.816 4.577 30 20 DJED C[C@H]1C[C@H](c2ccccc2)CN1Cc1ccc(Cl)cc1C#N 1657320287 ARBRHPINOILUCR-KSSFIOAISA-N 310.828 4.590 30 20 DJED CC(=NNc1ccccc1C(=O)O)c1cc2cc(C)c(C)cc2o1 1776030143 GUKOMVFSUIIELT-UHFFFAOYSA-N 322.364 4.584 30 20 DJED C[C@@H]1C(=NNc2ccc(-c3ccccc3)cc2)CC[C@@H]1CC(=O)O 1776059819 MJVRDYBVYQJNNK-WMLDXEAASA-N 322.408 4.642 30 20 DJED C=CC1(CC(=O)Nc2cc(C(=O)O)ccc2Cl)CCCCC1 1776149566 GOZFHJANUKFVOV-UHFFFAOYSA-N 321.804 4.503 30 20 DJED CC(C)c1ccc(C(=O)/C=C\c2ccc(C(=O)O)c(F)c2)cc1 1776370535 ZORBWLFZTQYXSJ-WMZJFQQLSA-N 312.340 4.543 30 20 DJED CCCCc1ccc(C(=O)/C=C\c2cccc(CC(=O)O)c2)cc1 1776805911 AELSJHAZVNCAIF-RAXLEYEMSA-N 322.404 4.552 30 20 DJED Cc1cc(Cl)cc(C)c1/C=C/C(=O)c1ccc(C(=O)O)s1 1777423437 OBMWFIVGMJBTSI-ONEGZZNKSA-N 320.797 4.613 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(Cl)c1 377089 QLCHRKPEFYVPDM-UHFFFAOYSA-N 318.779 4.699 30 20 DJED N#C[C@H](C(=O)CC1CCCCC1)c1nc(-c2ccccc2)cs1 41537316 PVKBSCLALMRXPN-MRXNPFEDSA-N 324.449 4.957 30 20 DJED C[C@H](C#N)Oc1ccc(/C=C/C(=O)c2cc3ccccc3o2)cc1 57737528 JLARRFZAXIMQJN-BMGYJQCNSA-N 317.344 4.620 30 20 DJED C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1cc(C#N)cs1 84113259 ILJZHLXVZOXTPO-CQSZACIVSA-N 324.449 4.623 30 20 DJED C[C@@H](SCc1nc(-c2ccccc2)no1)c1ccc(C#N)cc1 118443932 CFMBTTBNEVLDHU-CYBMUJFWSA-N 321.405 4.603 30 20 DJED C[C@@H](SCc1ncc(C(C)(C)C)o1)c1ccc(C#N)cc1 118445350 RLNQTGLITWADMR-GFCCVEGCSA-N 300.427 4.838 30 20 DJED N#C[C@@H]1CCC[C@H](Nc2ccc(COCc3ccccc3)cc2)C1 185748708 UZHRQIQGPLZDBA-CTNGQTDRSA-N 320.436 4.898 30 20 DJED C[C@@H](Nc1cccc(C(F)(F)F)c1)c1ccc(OCC#N)cc1 192912261 BMRPJVKYNOIYMS-GFCCVEGCSA-N 320.314 4.781 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@@H](C)c1ccc(C#N)cc1 195614525 PCKCOAIRWLITCQ-KBXCAEBGSA-N 308.425 4.824 30 20 DJED CSc1cccc(NC(=O)N(CCC#N)CCC(C)C)c1C 271708788 NYOSPFIUDBLFCM-UHFFFAOYSA-N 319.474 4.511 30 20 DJED CC[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(C)cc1O 280095496 MSQFJDFTUDWGBY-RTBURBONSA-N 308.425 4.786 30 20 DJED Cc1ccsc1[C@H](Cc1ccccc1)Nc1ncccc1C#N 301347503 UBGCUQXMMZEYFF-KRWDZBQOSA-N 319.433 4.719 30 20 DJED C[C@@H]1OCC[C@]1(C)/N=C(/O)Cc1cc2c(ccc3ccccc32)o1 329281784 AFKVZUGRGMBCRK-RBZFPXEDSA-N 323.392 4.653 30 20 DJED Cc1ccc(N=C(O)C2CCC(/N=C(/O)C3CC3)CC2)cc1F 329994001 LVZYPVQSHONNGF-UHFFFAOYSA-N 318.392 4.647 30 20 DJED N#CCC[C@H](N[C@H]1CCC[C@@H](c2cccnc2)C1)c1ccccc1 337364127 ASEWCHLOVJVVHW-GIVPXCGWSA-N 319.452 4.742 30 20 DJED Cc1nc(C)c([C@H](C)N(C)CCC2(C#N)CCCCC2)s1 411275598 LMMPNCMISOGCFI-AWEZNQCLSA-N 305.491 4.617 30 20 DJED CCc1c(N[C@H](C)c2ccc(C#N)cc2)cnn1CCC(C)C 426036281 NFFWWIQPZSJWQM-OAHLLOKOSA-N 310.445 4.536 30 20 DJED CC(C)(C)c1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2o1 434422787 BSTQIVNMYLRXPK-CQSZACIVSA-N 318.376 4.615 30 20 DJED COc1ccc(C#N)cc1CNc1ccccc1SC(C)C 434883225 MIHZCJZFBGJMDJ-UHFFFAOYSA-N 312.438 4.679 30 20 DJED Cc1sc(NC(=O)CC[C@@H](C)c2ccccc2)c(C#N)c1C 441286845 IQSILVJBUUKUCN-GFCCVEGCSA-N 312.438 4.759 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H]1c1cccc(N(C)C)c1 441486564 NLYXZSLEKCAHCN-HRAATJIYSA-N 319.452 4.522 30 20 DJED C[C@@H](c1ccc(Cl)cc1)[C@@H](C)NCCc1cccc(C#N)c1 467448058 CLYWIRZBQYGNLT-HUUCEWRRSA-N 312.844 4.536 30 20 DJED Cc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1Cl 474080137 FQZITBRORADCDA-OAHLLOKOSA-N 312.800 4.675 30 20 DJED C=CCCCCNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 474679012 GSDLNUCLPUJSNI-UHFFFAOYSA-N 311.212 4.561 30 20 DJED C=CCOc1ccc(C(=O)N(CC)c2ccccc2Cl)cc1 501072641 BZJJFMLNURVQQG-UHFFFAOYSA-N 315.800 4.572 30 20 DJED C=CCC(C)(C)C(=O)Nc1ccc(Oc2ccncc2)c(C)c1 508740536 HBWRJZNXRHYNKU-UHFFFAOYSA-N 310.397 4.723 30 20 DJED CC(C)(CCC#N)CN1Cc2ccccc2-c2ccccc2C1 513111367 DDOILYXVQNERQK-UHFFFAOYSA-N 304.437 4.999 30 20 DJED C=CCN(Cc1csc(CCCC)n1)Cc1cccs1 515193873 KCYZVLPIFAFJOJ-UHFFFAOYSA-N 306.500 4.735 30 20 DJED N#Cc1ccc(CN[C@H]2CCCc3ccc(Cl)cc32)cc1F 516849175 AKPCEHFWDZFINU-SFHVURJKSA-N 314.791 4.518 30 20 DJED N#Cc1cccc(-c2nc(-c3c(Cl)cccc3Cl)no2)c1 518325958 CSAOOIZPIAJREV-UHFFFAOYSA-N 316.147 4.582 30 20 DJED C[C@H]1CCCC[C@H]1CC(=O)Nc1ccccc1SCCC#N 519405456 BQEUBJIIVLWKGZ-GJZGRUSLSA-N 316.470 4.847 30 20 DJED N#CCc1ccc(C(=O)Nc2cccc(-c3cccs3)c2)cc1 535464563 SYFIXRWHRVOQGK-UHFFFAOYSA-N 318.401 4.733 30 20 DJED N#CC1(CSc2nnc(-c3ccccc3)c3ccccc23)CC1 538659325 HSUDBCHSSAPNKI-UHFFFAOYSA-N 317.417 4.693 30 20 DJED CSc1cccc(NC(=O)Nc2cccc(C#N)c2C)c1C 539259789 XCCLZAULPBTYEE-UHFFFAOYSA-N 311.410 4.541 30 20 DJED CC(C)c1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)s1 544815870 FWMBVFDWZZXPKP-UHFFFAOYSA-N 304.802 4.649 30 20 DJED C=Cc1ccc(C(=O)N(CC)c2ccc(C#N)c(Cl)c2)cc1 561290014 SGLPFUJOHUOCNZ-UHFFFAOYSA-N 310.784 4.521 30 20 DJED C[C@H](NC(=O)c1cc(C#N)ccc1Cl)c1cccc(C2CC2)c1 572573992 VGUPOXFFHWGNHV-LBPRGKRZSA-N 324.811 4.580 30 20 DJED N#CCCN(C(=O)c1ccc2sccc2c1)c1ccc(F)cc1 578107280 BEPQFSSYZDLVLJ-UHFFFAOYSA-N 324.380 4.601 30 20 DJED CC[C@@H](NCc1ccccc1N(C)C(C)C)c1ccc(C#N)cc1 578952224 FUGZPBLFFQVSFX-HXUWFJFHSA-N 321.468 4.644 30 20 DJED Cc1ncccc1CSc1nc(-c2ccccc2)ccc1C#N 589255928 DVSUEDJCYXIBGG-UHFFFAOYSA-N 317.417 4.616 30 20 DJED N#CC[C@H]1CCCN(C(=O)c2ccc(C3CCCCC3)cc2)C1 597918900 UQHUPKYXEYZDCH-MRXNPFEDSA-N 310.441 4.500 30 20 DJED C=CCCN(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 606896381 KUCONRHOTLELDN-UHFFFAOYSA-N 317.436 4.547 30 20 DJED Cc1ccc(-c2cc(CSc3ccc(C#N)cc3F)on2)cc1 610218828 AFGAXLMZJRFNGR-UHFFFAOYSA-N 324.380 4.953 30 20 DJED C[C@H](N[C@H](C)c1ccc2ccccc2n1)c1cccc(C#N)c1 610830405 QJIBVHAERIEUMC-LSDHHAIUSA-N 301.393 4.518 30 20 DJED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cc2c(s1)CCCC2 618806646 QUBMVCKIQUURPD-SCLBCKFNSA-N 322.477 4.837 30 20 DJED C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(-c2ccccc2)cc1 622175204 AKXUQVGMGGFJOL-KRWDZBQOSA-N 322.452 4.579 30 20 DJED C[C@@H](CC(C)(C)C#N)NCc1ccc(OCc2ccccc2)cc1 695865970 WCFLQTJHVROHRC-KRWDZBQOSA-N 322.452 4.684 30 20 DJED O=C(/C=C\c1cccc(OC(F)(F)F)c1)c1ccc(F)cc1 727972894 KBVGIAFIKIXHBH-WTKPLQERSA-N 310.246 4.620 30 20 DJED Clc1ccc(C=NN(c2ccccc2)c2ccccc2)cn1 748779176 XLFXEKUDOXDUQI-UHFFFAOYSA-N 307.784 4.907 30 20 DJED N#Cc1ccc(SC[C@H](O)c2cccc(Cl)c2)c(Cl)c1 754679237 BQFBOSDKGUBBAY-AWEZNQCLSA-N 324.232 4.691 30 20 DJED C[C@@H](NCc1ccc(F)c(C#N)c1)c1csc2ccccc12 754735699 JSEQFFPKLDWGOZ-GFCCVEGCSA-N 310.397 4.763 30 20 DJED C[C@@H]1CSC(SCc2ccc(-c3ccccc3C#N)cc2)=N1 760182722 JTPVYCXFXVXZTF-CYBMUJFWSA-N 324.474 4.950 30 20 DJED Cc1cc(/C=C2/CSc3c(F)cccc3C2=O)cnc1Cl 760265687 YWWTUZXFHQTALR-WDZFZDKYSA-N 319.788 4.555 30 20 DJED C#CC[C@H](NCc1c(Cl)oc2ccccc12)c1ccccc1 761312026 YQAMTXZMXQBVBC-KRWDZBQOSA-N 309.796 4.940 30 20 DJED Cc1ccc(F)c(NN=CC2CCC(C(F)(F)F)CC2)c1 767385051 LPVBUVIQTGOGKZ-UHFFFAOYSA-N 302.315 4.901 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2cccc3ccsc23)cc1 767881086 GGVYSEOCZKVDMG-UHFFFAOYSA-N 320.417 4.770 30 20 DJED C#CCCCCCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 780313932 UGTINAPSYWQJQY-INIZCTEOSA-N 322.433 4.570 30 20 DJED Cc1ccccc1[C@@H](OC(=O)CC(C)(C)C#N)c1cccs1 786383140 WGTVHLRBXXRAPQ-QGZVFWFLSA-N 313.422 4.629 30 20 DJED COc1cc(NN=Cc2ccc(F)cc2Cl)ccc1Cl 788468325 SGHJZMIPORMLEG-UHFFFAOYSA-N 313.159 4.587 30 20 DJED C=CCCCCC[C@H](C)Nc1ccc(F)c(NC(=O)NC)c1 797045299 IUUHTQPKAPZJHJ-ZDUSSCGKSA-N 307.413 4.514 30 20 DJED N#CC[C@H](CC(=O)OCc1ccc2occc2c1)c1ccccc1 802852954 MGXIJXHBDVIMNG-QGZVFWFLSA-N 319.360 4.564 30 20 DJED Cc1ccc(Oc2ccccc2)c(NC(=O)c2ccc(C#N)o2)c1 815771934 NXDQVXVFCOQJOT-UHFFFAOYSA-N 318.332 4.504 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N1Cc2cccnc2C1 819964047 KLJQQXDDEHALDU-INIZCTEOSA-N 302.462 4.701 30 20 DJED C[C@@H](CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1)CC(C)(C)C 842939430 QGBCLWLIEJUDPP-WCQYABFASA-N 304.459 4.659 30 20 DJED N#Cc1ccc(NN=CC(c2ccccc2)c2ccccc2)cc1 915962751 VNJQKDVYNXTHPW-UHFFFAOYSA-N 311.388 4.788 30 20 DJED CC/C=C(\C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 920018071 QQHBOMCUTLIRFO-LHHJGKSTSA-N 320.392 4.954 30 20 DJED O=C(/C=C\c1ccccc1OC1CCCC1)c1cccc(O)c1 920064719 JYKOIAQERAJXPY-SEYXRHQNSA-N 308.377 4.610 30 20 DJED CC[C@@H](C)[C@@H](C)C(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1124963707 YZZKDTJTNBGRJC-ZIAGYGMSSA-N 323.440 4.587 30 20 DJED C[C@H](OC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(C#N)c1 1127090283 DQCWAXFIDRBZIC-JTQLQIEISA-N 320.175 4.783 30 20 DJED N#Cc1cc(NC(=O)c2cccs2)ccc1Oc1ccccc1 1128360346 YTNWWRVTEUNPAG-UHFFFAOYSA-N 320.373 4.664 30 20 DJED CCCCN(C(=O)[C@H](C#N)CCc1ccccc1)c1ccccc1 1149108801 OOSURLAQIOBMPI-IBGZPJMESA-N 320.436 4.592 30 20 DJED N#Cc1c(F)cccc1CN1CCC(CCc2ccccc2)CC1 1183846015 RSNVUMQYNNICKO-UHFFFAOYSA-N 322.427 4.542 30 20 DJED Cc1nccc(Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n1 1184991091 ILLRRNORBUKOAK-UHFFFAOYSA-N 316.364 4.501 30 20 DJED Cc1cccc(C)c1CN(C)Cc1ccccc1C(C)(C)C#N 1198194983 OEVFSGLBACVDDN-UHFFFAOYSA-N 306.453 4.737 30 20 DJED Cc1ccc(-c2nnc(-c3cccc(C#N)c3)o2)c(Cl)c1C 1330054610 HNZMSRAKZUZIHG-UHFFFAOYSA-N 309.756 4.546 30 20 DJED CCc1ccc(N(CC(C)C)C(=O)c2ccc(C#N)cc2F)cc1 1436146921 ZSOUXQQYAOOHAK-UHFFFAOYSA-N 324.399 4.563 30 20 DJED CC(C)c1cccc2c1CCN([C@H](C)c1ccc(C#N)cc1)C2 1473443844 SANXKNHGTIBHNT-MRXNPFEDSA-N 304.437 4.801 30 20 DJED Cc1ccc(C#N)cc1NC(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 1524610828 ROCZXROVMLAYEY-DOTOQJQBSA-N 318.420 4.795 30 20 DJED CC1(C)CCCC[C@@H]1C(=O)Nc1cc2ccccc2cc1C#N 1525265425 ATLXNUODGDKKDZ-QGZVFWFLSA-N 306.409 4.866 30 20 DJED CCC1(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@@H]3C)CCC1 1527032811 UEESDHOGEMNKPN-RYUDHWBXSA-N 316.470 4.824 30 20 DJED CCC[C@@H](C(=O)Nc1cccc(C#N)c1)c1cccc(Cl)c1 1530019821 CANFDNSFQOJLSC-QGZVFWFLSA-N 312.800 4.734 30 20 DJED CC(C)(C#N)c1ccc(C(=O)Nc2c(F)cccc2Cl)cc1 1538365307 HKTLOAYUHANMTH-UHFFFAOYSA-N 316.763 4.533 30 20 DJED Cc1cc(CNCC(C)(C)c2ccc(Cl)cc2)ccc1C#N 1560284762 LRBLCBHRINOCOI-UHFFFAOYSA-N 312.844 4.588 30 20 DJED Cc1ccc(C#N)c(N[C@H]2CCCc3ccc(C(C)C)cc32)n1 1612215687 UPCBWNARIJFIDJ-IBGZPJMESA-N 305.425 4.875 30 20 DJED CCC[C@@H](Cc1ccccc1)Nc1cc(C#N)ccc1OCC 1621238766 FXHLQOUWAJHTST-SFHVURJKSA-N 308.425 4.780 30 20 DJED CC1(C)CCCC[C@@H]1Nc1nccc(Oc2cccc(C#N)c2)n1 1639614164 ACTHZIHPTPMJJX-INIZCTEOSA-N 322.412 4.521 30 20 DJED C[C@H](c1ccc(Oc2ccccc2)cc1)N1CCC[C@H](C#N)C1 1648265133 BVGVBDBIKOWDSS-IAGOWNOFSA-N 306.409 4.775 30 20 DJED Cc1cc(C#N)cc(NCc2cc(Cl)cc3cccnc23)c1 1657528474 IMKODJGPICXYHW-UHFFFAOYSA-N 307.784 4.680 30 20 DJED N#Cc1cccc(CNc2cc(-c3ccccc3)ccc2Cl)n1 1664520018 ZPJBZHAOTXLXIY-UHFFFAOYSA-N 319.795 4.886 30 20 DJED C=C(CNC(=O)NC[C@@H]1CCCC[C@H]1CCC)c1ccccc1 1686699453 WXAFWHPGPYMRCC-MOPGFXCFSA-N 314.473 4.606 30 20 DJED C=C(CNC(=O)N(C)[C@H]1CCC[C@@H]1C(C)(C)C)c1ccccc1 1686699494 XLNHEWXUMNAYDA-ROUUACIJSA-N 314.473 4.556 30 20 DJED N#C[C@@H](C(=O)c1ccc(C2CCCCC2)cc1)c1ccccn1 41493482 AHAXFIRWGINGGH-GOSISDBHSA-N 304.393 4.619 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)C[C@@H](C)c2ccccc2)n1 80456353 RVAQEFFLLCCVPI-UKRRQHHQSA-N 312.438 4.637 30 20 DJED Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)CCCCC#N 119405428 SGHROUCHIKDQOU-OAHLLOKOSA-N 313.470 4.805 30 20 DJED C[C@@H](CCC(=O)N[C@H](CCC#N)c1ccccc1)c1ccccc1 125194927 QGYLTHWQJSAXOS-FXAWDEMLSA-N 320.436 4.732 30 20 DJED CCCCCCCCC(=O)NCc1nc(C(F)(F)F)cs1 153206733 SXBUPRQPUAWQTD-UHFFFAOYSA-N 322.396 4.529 30 20 DJED C=CCC[C@H](Nc1ccc(NC(=O)c2ccco2)cc1)C1CC1 182849103 DISFWUHFYQPTCE-KRWDZBQOSA-N 310.397 4.689 30 20 DJED CC(C)[C@@H](C)N(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 264616253 NSMOJOMONZGSJJ-UONOGXRCSA-N 319.474 4.589 30 20 DJED N#Cc1c(F)cccc1SCc1cccc(OC(F)F)c1 301584614 OMLLSKKWHCEWRA-UHFFFAOYSA-N 309.312 4.591 30 20 DJED Cc1ccc(C)c([C@H]2CCCN2c2snc(Cl)c2C#N)c1 301676227 QKXRDRADQAEWCW-CQSZACIVSA-N 317.845 4.627 30 20 DJED Cc1cc(/C=C/C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1F 303144304 BTEVTOTVBBFSTL-XVNBXDOJSA-N 319.719 4.592 30 20 DJED N#CCCCOc1cccc(N[C@H]2CCCc3ccc(O)cc32)c1 326073628 MVEIATBKZXYWFY-FQEVSTJZSA-N 322.408 4.564 30 20 DJED COCCCC[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccccc1 359027742 JYVIMWKKWPAIGV-UTKZUKDTSA-N 322.452 4.767 30 20 DJED C=CC[C@H]1N(C(=O)Nc2nc(C3CC3)cs2)CCCC1(C)C 436102975 OIQLOXRYMSCUCK-CQSZACIVSA-N 319.474 4.619 30 20 DJED C=CC[C@H](C(=O)N[C@H]1C[C@H](c2ccccc2F)C1)c1ccccc1 437401642 ANHFKMGHKWMUSL-LNLFQRSKSA-N 323.411 4.548 30 20 DJED Cc1cccc(NC(=O)[C@@H](C)S[C@H](C)c2cccc(C#N)c2)c1 443151855 BVCPDAVBESPORR-HUUCEWRRSA-N 324.449 4.688 30 20 DJED Cc1cc(CNc2ccccc2CC(F)(F)F)ccc1C#N 444003770 JUFPAKDKARCLHC-UHFFFAOYSA-N 304.315 4.584 30 20 DJED Cc1cc(CSc2ccc(C(F)(F)F)cn2)ccc1C#N 447286742 KNOPYYVOGCXBJC-UHFFFAOYSA-N 308.328 4.573 30 20 DJED CC[C@@H](NCc1ccc(F)c(Cl)c1)c1ccc(C#N)cc1 447531117 OMYADUONUYWQNN-QGZVFWFLSA-N 302.780 4.592 30 20 DJED CC1(C#N)CCC(N[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 449102992 NJDFLOOPLWDTAU-KBWCOIMZSA-N 322.427 4.977 30 20 DJED C=CC[C@@H](CC)N[C@H](C)c1csc(-c2ccccc2F)n1 462805806 IOKWCFSFBSZGLC-CHWSQXEVSA-N 304.434 4.955 30 20 DJED Cc1cccc2cc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)oc12 474438100 YHOGRWBAHQORCL-CYBMUJFWSA-N 324.405 4.811 30 20 DJED CC(C)CC[C@H]1CCCN1C(=O)C[C@H](CC#N)c1ccccc1 476372454 GMJGSPFAQSYQSZ-RBUKOAKNSA-N 312.457 4.501 30 20 DJED CSc1cccc(C)c1NC(=O)C[C@@H](CC#N)c1ccccc1 476733743 SSUXXNNZZGRZKL-MRXNPFEDSA-N 324.449 4.743 30 20 DJED C=CCC[C@@H](C(=O)N(C)[C@H](C)c1ccccc1)c1ccccc1 489608265 UBJDMNVDXKOCFT-YLJYHZDGSA-N 307.437 4.956 30 20 DJED C[C@@H]1C[C@@H]1c1ccc(CN(Cc2cc(C#N)cs2)C2CC2)o1 506565073 WXDWUFSLOCIDOQ-PXAZEXFGSA-N 312.438 4.501 30 20 DJED C=CCn1c(C)cc(-c2nc3ccccc3c(C)c2C#N)c1C 515484331 RCKRNSXYGMAFGT-UHFFFAOYSA-N 301.393 4.686 30 20 DJED N#Cc1cccc(NC(=O)N2CCC[C@H]2CC2CCCCC2)c1 519931184 PDIAQTCPDZLBPF-SFHVURJKSA-N 311.429 4.525 30 20 DJED Cc1ccccc1[C@H](NC(=O)c1ccc(CC#N)cc1)C(C)(C)C 534725152 JBNBNRMPNJJSQZ-IBGZPJMESA-N 320.436 4.578 30 20 DJED C=CCCOCCCCC(=O)N1CCCCC[C@@H]1CC(C)C 539403309 PGPMALFTMSBCCD-GOSISDBHSA-N 309.494 4.567 30 20 DJED C=CCCC[C@H](C)NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 540490399 QJCISRUZJRLWNS-GJZGRUSLSA-N 314.429 4.880 30 20 DJED C=CCC(C)(C)c1noc(-c2ccc(COC(C)C)cc2)n1 556363163 DRUXTFCOJIGLPC-UHFFFAOYSA-N 300.402 4.515 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCc2c(Cl)cccc21 561132728 SFWCXIVKHPTHDR-VQTJNVASSA-N 322.839 4.866 30 20 DJED Cc1cccc([C@@H]2CCCN2c2nccc(C#N)c2Cl)c1C 582427871 GAXWIBMPWPHVER-INIZCTEOSA-N 311.816 4.565 30 20 DJED CN(C(=O)CCCCCC#N)c1ccc(Oc2ccccc2)cc1 588901262 BKEXMIABEPJMJU-UHFFFAOYSA-N 322.408 4.916 30 20 DJED C[C@@H](NC1(c2ccccc2Cl)CC1)c1ccc(C#N)cc1F 592391758 IOWWFJWEXCWWDE-GFCCVEGCSA-N 314.791 4.691 30 20 DJED CCOc1cccc2cc([C@H](C)N[C@@H](C#N)c3ccccc3)oc12 595433104 VRCLVQWTTKKWDF-YOEHRIQHSA-N 320.392 4.747 30 20 DJED CC(C)C[C@@H](C)CC(=O)N(Cc1ccco1)c1ccccc1C#N 609010800 UPFRJCOZVHIMCY-MRXNPFEDSA-N 324.424 4.757 30 20 DJED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H](CC)CCCC 609754809 GVONHXLRJKXSHA-KRWDZBQOSA-N 312.457 4.679 30 20 DJED C[C@H](C(=O)Nc1cc(C(C)(C)C)sc1C#N)C1CCCC1 611359814 UWAXRXRNAZLFOB-NSHDSACASA-N 304.459 4.682 30 20 DJED CCCc1nc(CSCc2ccc(C#N)cc2C)cs1 614394911 YTOJMSXKEXKHSM-UHFFFAOYSA-N 302.468 4.709 30 20 DJED C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccccc1Cl 619746588 ATCHKBROIUJCED-NSHDSACASA-N 305.208 4.716 30 20 DJED C=CCCOCc1nc(C(C)(C)c2cccc3ccccc23)no1 645614409 WWYJVVNMABKMRJ-UHFFFAOYSA-N 322.408 4.641 30 20 DJED C=CCCN(C)C(=O)c1ccc(-c2cccc3cccnc23)cc1 671812533 QSXFVHNQZSQABF-UHFFFAOYSA-N 316.404 4.550 30 20 DJED C=C(C)[C@@H](N[C@H](C)c1ccc(C)nc1C)c1ccc(F)c(F)c1 681401423 SBPWEXZNVGWFJQ-AUUYWEPGSA-N 316.395 4.945 30 20 DJED C[C@H](NC(=O)Nc1ccc(C#N)cc1)c1csc2ccccc12 730020300 FQWRHRYAVORIMX-LBPRGKRZSA-N 321.405 4.656 30 20 DJED C=CCN(C(=O)/C=C(\C)c1cccc(C(F)(F)F)c1)C(C)C 742633227 LBZGSSILMMBAQB-JLHYYAGUSA-N 311.347 4.532 30 20 DJED C=CCc1cc(/C=C\C(=O)c2cc(C)ccc2C)cc(OC)c1O 747063578 NGDDYEYOXJHWLR-KTKRTIGZSA-N 322.404 4.642 30 20 DJED Cc1ccc(C)c(NC(=S)N[C@H](CCC#N)c2ccccc2)c1 747710385 SWWYEFOTUBEWLU-QGZVFWFLSA-N 323.465 4.635 30 20 DJED N#Cc1ccccc1/C=C1/CSc2ccc(Cl)cc2C1=O 755584667 NFJAWZWDULGIKP-QPEQYQDCSA-N 311.793 4.584 30 20 DJED C#Cc1cccc(NC(=O)N(CC)[C@@H](CC)Cc2ccccc2)c1 759504081 VEPWFLRGJRRJSI-FQEVSTJZSA-N 320.436 4.543 30 20 DJED Cc1cc(/C=C/C(=O)c2ccc3cc(O)ccc3c2)cnc1Cl 760266558 WBSXTCVWRSFVGT-FARCUNLSSA-N 323.779 4.798 30 20 DJED CCn1nc(/C=C2\Cc3cc(Cl)ccc3C2=O)c2ccccc21 769741187 NFJTZBGGCZOQDI-ACCUITESSA-N 322.795 4.532 30 20 DJED C=CCC[C@H](C(=O)OCc1cc(Cl)ccn1)c1ccccc1 778628752 IAEHNIJIEBUACN-KRWDZBQOSA-N 315.800 4.528 30 20 DJED CCc1cccnc1C(C)=NNc1ccc(Cl)cc1Cl 779762247 GLMFXKVJRCCFLR-UHFFFAOYSA-N 308.212 4.787 30 20 DJED COc1cccc(/C=C\C(=O)c2cc3ccccc3s2)c1OC 780188288 IEYKCWDSIBCOTB-KHPPLWFESA-N 324.401 4.815 30 20 DJED Cc1cc(OC(=O)CCc2ccc(C#N)cc2)ccc1C(C)C 789948367 NZMDYPPXHZJGOG-UHFFFAOYSA-N 307.393 4.528 30 20 DJED C=CCCC[C@H](C)NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 801689431 LIXAISRKAXEORC-FZMZJTMJSA-N 317.326 4.577 30 20 DJED CC[C@H](OC(=O)CCCCCC#N)c1cccc(Cl)c1F 805929273 ZABARAIBXASARL-AWEZNQCLSA-N 311.784 4.947 30 20 DJED CC(C)[C@H](OC(=O)CCCC#N)c1cccc(C(F)(F)F)c1 813079588 OUPPGNNBVHQARS-HNNXBMFYSA-N 313.319 4.640 30 20 DJED N#C[C@H]1CCCC(=NNc2c(Cl)cc(F)cc2Cl)C1 814891428 UNAZTYHNPRURFH-QMMMGPOBSA-N 300.164 4.614 30 20 DJED C=CC[C@H](N[C@H](C)c1ccc(Cl)cc1OC)c1ccncc1 817576980 BHYHQCHQZJJZMC-DYVFJYSZSA-N 316.832 4.712 30 20 DJED C=CCCOc1ccccc1-c1ccc2c(c1)OCCC[C@H]2O 854196412 YOPVTNWCWDJRMZ-GOSISDBHSA-N 310.393 4.515 30 20 DJED N#Cc1ccc(N2Cc3cccc(Cl)c3C2)cc1C(F)(F)F 864018439 UPDQKTKBAUWVSQ-UHFFFAOYSA-N 322.717 4.751 30 20 DJED N#CCc1cccc(C(=O)Oc2ccc(-c3ccccc3)cc2)c1 915800762 LABVXXMQKLWSIW-UHFFFAOYSA-N 313.356 4.639 30 20 DJED CC(CC(C)(C)c1ccccc1)=NNc1nncc2ccccc12 915938588 XYOCVXQZDPCPFJ-UHFFFAOYSA-N 318.424 4.786 30 20 DJED COc1cccc2cc(/C=C/C(=O)c3cc(F)ccc3F)oc12 916134693 OIQVEJWRGCBRJD-SOFGYWHQSA-N 314.287 4.616 30 20 DJED CCCCCCCCCC(=O)Nc1nnc(C(F)F)s1 920228868 BIUQFWOCLUSTTM-UHFFFAOYSA-N 305.394 4.555 30 20 DJED O=C1/C(=C/c2cccc(C(F)(F)F)c2)Cc2c(F)cccc21 921264405 SPFUZOCTOLXLRY-YRNVUSSQSA-N 306.258 4.667 30 20 DJED CC[C@H](OC(=O)c1ccc(C#N)n1C)c1ccc(C(C)(C)C)cc1 1266803072 WSBRGGGNQGYBHM-SFHVURJKSA-N 324.424 4.502 30 20 DJED CC[C@H](C#N)N(CC)C(=O)c1ccc(-c2ccc(C)cc2)cc1F 1289299063 SLVLYCGZGSSWCK-QGZVFWFLSA-N 324.399 4.565 30 20 DJED C=C(C)CCC(=O)N1CCC(c2c(C)[nH]c3ccccc23)CC1 1337025906 QLGJDITZTONVCK-UHFFFAOYSA-N 310.441 4.539 30 20 DJED CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 1359910391 MVQBGWOSGBPEDP-QAPCUYQASA-N 312.457 4.576 30 20 DJED Cc1ccc(Cl)cc1C(=O)N(c1cccc(C#N)c1)C1CCC1 1437678113 WVYPFDWXODLMHA-UHFFFAOYSA-N 324.811 4.719 30 20 DJED Cc1cc(CN2CCS[C@@H](C)[C@H]2c2ccccc2)ccc1C#N 1461872452 MMJOUHASMPORDC-JXFKEZNVSA-N 322.477 4.545 30 20 DJED CCCc1c(N[C@H]2CCC(C)(C)C2)cnn1-c1cccc(C#N)c1 1462119409 ITVMTHQKQLFDJH-INIZCTEOSA-N 322.456 4.687 30 20 DJED CCN(C[C@@H](C)C#N)C(=O)C1(C2CCCCC2)CCCCC1 1464239325 KYEPDHWQDIGVRG-INIZCTEOSA-N 304.478 4.525 30 20 DJED Cc1cc(CN(Cc2ccc(C#N)cc2)C2CC2)ccc1Cl 1474389235 KNVTZLVOIIUVAW-UHFFFAOYSA-N 310.828 4.685 30 20 DJED CCC(CC)(C(=O)O[C@@H](C)c1cccc(C#N)c1)c1ccccc1 1518183924 LCCKBDXOAVADCL-INIZCTEOSA-N 321.420 4.920 30 20 DJED CCN(C(=O)C1C[C@H]2CCC[C@H](C1)C2)[C@H](C)c1ccc(C#N)cc1 1525554138 DUJMHWXHBAUXHL-NJAFHUGGSA-N 324.468 4.684 30 20 DJED CCc1cc(C#N)c(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)s1 1526349286 YDZXORBREODIEL-BFHYXJOUSA-N 316.470 4.727 30 20 DJED N#C[C@H]1CCC[C@H](OC(=O)Cc2ccc(-c3ccccc3)cc2)C1 1535479308 OQWKUCCEDQHUJC-PXNSSMCTSA-N 319.404 4.522 30 20 DJED Cc1csc(NC(=O)N(C)[C@@H]2CCC[C@@H]2C(C)(C)C)c1C#N 1562766742 ONZCFEDGORHWMV-UONOGXRCSA-N 319.474 4.607 30 20 DJED Cc1cc(N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)ncc1C#N 1612087472 UVIJRGWWILWKJL-KBPBESRZSA-N 313.832 4.544 30 20 DJED CC(C)(Cc1ccc(Cl)cc1Cl)Nc1ccc(C#N)cn1 1639594637 XAQYMJYRGZBAIX-UHFFFAOYSA-N 320.223 4.693 30 20 DJED CCCCc1ccc([C@@H](Nc2ccnc(C#N)n2)C(C)C)cc1 1641995731 LSEYSAZACHBJOI-IBGZPJMESA-N 308.429 4.500 30 20 DJED Cc1nc(N[C@H](CC(C)(C)C)c2ccc(F)cc2)ccc1C#N 1642081579 USTPGJSVIMOTCP-QGZVFWFLSA-N 311.404 4.990 30 20 DJED COc1ccc(OC)c(CSc2ccc(Cl)cc2C#N)c1 1651842391 JSCLUVMHAFFPOG-UHFFFAOYSA-N 319.813 4.521 30 20 DJED CC(=O)c1ccc(OCc2ccc(C#N)cc2Cl)cc1Cl 1653098369 SJICNUDDOLJGFE-UHFFFAOYSA-N 320.175 4.647 30 20 DJED Cc1cc(CNc2cccc(OC3CCCC3)c2)ccc1C#N 1656862283 VMZAKSKBPFOQNV-UHFFFAOYSA-N 306.409 4.800 30 20 DJED CC(C)(CN[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 1662682199 WMHJMKPXRDRTCL-HXUWFJFHSA-N 304.437 4.503 30 20 DJED N#CC1(c2ccccc2)CC(N[C@@H]2CCc3ccc(Cl)cc32)C1 1665373712 YUWISLVDMIFAEV-SKINQDTJSA-N 322.839 4.541 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 14932985 BPJQSXVCPBPTDH-LLVKDONJSA-N 305.208 4.716 30 20 DJED CC[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)c1ccccc1 55569112 CRYHYXAZHXGGFS-LJQANCHMSA-N 322.408 4.501 30 20 DJED C=CCN(C(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 71794856 LDOMMZRSTVPZRC-UHFFFAOYSA-N 306.192 4.826 30 20 DJED CCCOc1ccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)cc1 72042077 ULHWZNHZWXZQCO-YCRREMRBSA-N 316.784 4.731 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)c2sccc2C(C)C)n1 80455734 XGOJLRYUACQUSA-LBPRGKRZSA-N 318.467 4.941 30 20 DJED C=CCNC(=O)Nc1ccc(N[C@@H](CC)c2ccccc2)cc1 112520615 NUZKCGKTFBLRGU-SFHVURJKSA-N 309.413 4.557 30 20 DJED C=CCN(C)C(=O)Nc1ccccc1-c1nc2ccccc2s1 156192080 AZOLXUZNPFCLFV-UHFFFAOYSA-N 323.421 4.613 30 20 DJED CCSc1ccc([C@@H](C)NCc2ccc(C#N)cc2F)cc1 178788028 AJIWQFRDSZCWMN-CYBMUJFWSA-N 314.429 4.660 30 20 DJED N#CCCCOc1cccc(N[C@H]2CCCOc3ccccc32)c1 179819655 FQYDEKQFAYMAAU-IBGZPJMESA-N 322.408 4.695 30 20 DJED CC(C)(C)Oc1c(F)cc(N[C@H]2CCC[C@@H](C#N)C2)cc1F 185896308 SPNUOSQKCSOAEQ-NEPJUHHUSA-N 308.372 4.636 30 20 DJED Cc1ccccc1NC(=O)[C@@H](C)S[C@H](C)c1cccc(C#N)c1 190888979 HZWIHKXJBIOSBS-HUUCEWRRSA-N 324.449 4.688 30 20 DJED COc1cccc2cc(/C=C\C(=O)c3ccc(F)cc3F)oc12 213202964 BCPRWDUBQHWNLP-VURMDHGXSA-N 314.287 4.616 30 20 DJED C=CCC[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccccc1 302179055 DEJJAURMHZQTLO-KRWDZBQOSA-N 307.353 4.586 30 20 DJED N#Cc1ccc(Oc2ccc(F)cc2[N+](=O)[O-])c2ccccc12 322623659 OLXNFQHNAUDANU-UHFFFAOYSA-N 308.268 4.551 30 20 DJED C[C@@H]1CCC[C@@H](C/N=C(/O)c2ccc3c(c2)N=C(O)C3(C)C)C1 328866222 WPODNDSKPSFIKV-CHWSQXEVSA-N 314.429 4.697 30 20 DJED CC/N=C(/O)C1(C/N=C(/O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCC1 330187847 KRROJCJNKIKHOM-ARFHVFGLSA-N 320.477 4.696 30 20 DJED Cc1ccc(NC(=O)c2cccc(OCCC(C)(C)C#N)c2)cc1 410305125 GQSXWRUHDWVMIG-UHFFFAOYSA-N 322.408 4.566 30 20 DJED C[C@H](N[C@@H](CC(F)F)c1ccccc1)c1cccc(C#N)c1 421867579 BNXCQGOLGCPHJK-GUYCJALGSA-N 300.352 4.605 30 20 DJED N#CC1CCC(CNCc2cccc(-c3ccccc3)c2)CC1 441374110 GMVAKZOHVYZUEO-UHFFFAOYSA-N 304.437 4.773 30 20 DJED C=C[C@@](C)(CC)C(=O)N1CC=C(c2cccc3ccccc23)C1 443134196 TWBAGBSFNLILLU-NRFANRHFSA-N 305.421 4.668 30 20 DJED C=CCCCCCN(C)C(=O)c1cc(F)cc(C(F)(F)F)c1 446043953 DCHNFNKLFHKQRH-UHFFFAOYSA-N 317.326 4.663 30 20 DJED CC(C)CCn1ncc(N[C@@H]2CCC[C@@H](C#N)C2)c1C(C)C 446972896 AXMMOJBBZAPYOF-HZPDHXFCSA-N 302.466 4.547 30 20 DJED C=CCC(CC=C)C(=O)N(c1cnc2ccccc2c1)C(C)C 448460792 FXYUBYHYSSRVIU-UHFFFAOYSA-N 308.425 4.745 30 20 DJED C=CCC1(C(=O)Nc2cnn([C@@H](C)CC)c2C)CCCCC1 451150120 RSOHSLKFQGMBRC-AWEZNQCLSA-N 303.450 4.628 30 20 DJED Cc1cccc([C@@H](C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 454453511 VLQWLOCYLJVRGI-OAHLLOKOSA-N 321.424 4.679 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)C1=CC[C@H](C)CC1 455508836 CXLASEYYELUTRT-KBPBESRZSA-N 314.454 4.623 30 20 DJED N#CC[C@@H](CC(=O)N[C@@H]1CCCCC12CCCC2)c1ccccc1 462406185 HNGJYQOKGBXNQA-RBUKOAKNSA-N 324.468 4.693 30 20 DJED CC(C)(CN[C@H]1CCC[C@H](C#N)C1)Cc1cccc(Cl)c1 463244313 GTYHQBPCNAERSH-RDJZCZTQSA-N 304.865 4.581 30 20 DJED C=CC[C@@H](CC)NC(=O)c1occc1CSc1ccccc1 466533354 WHGZREYAFYXPRN-OAHLLOKOSA-N 315.438 4.656 30 20 DJED C=CCCC1(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](CC)C2)CC1 476221013 RMMSKIDJZIWAGP-PKOBYXMFSA-N 311.469 4.775 30 20 DJED CC(C)Oc1c(Cl)cccc1NCc1ccc(C#N)c(F)c1 479471599 PGPIACSZUGGZRK-UHFFFAOYSA-N 318.779 4.750 30 20 DJED CC(C)[C@H](CC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 481975463 RMYOHGRLKOMGQI-IBGZPJMESA-N 306.409 4.521 30 20 DJED C=C(C)CN1CCC(N[C@H](C)c2ccc(C(C)C)cc2)CC1 482629455 NJPRYNUWLCRJIB-QGZVFWFLSA-N 300.490 4.501 30 20 DJED C=CC[C@H](C(=O)N(CC)Cc1cccc(F)c1)c1ccccc1 487765983 MRMQTIYVVKCHMH-IBGZPJMESA-N 311.400 4.534 30 20 DJED CCC[C@@H](CC1CCCC1)C(=O)Nc1cc(C#N)ccc1OC 499562279 OVUAJADFMJNXJR-INIZCTEOSA-N 314.429 4.502 30 20 DJED N#C[C@@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)C1CCCCC1 524536172 JOQUHITVKKEKFC-MRXNPFEDSA-N 315.417 4.780 30 20 DJED CC[C@H](CC(=O)N[C@](C)(C#N)C1CCCCC1)c1ccccc1 550747943 KWVBQAXSDFYJCL-OXQOHEQNSA-N 312.457 4.549 30 20 DJED COc1cc(CN[C@H](C)c2ccccc2C(C)(C)C)ccc1C#N 567203350 LFTZDILFLZHNMQ-OAHLLOKOSA-N 322.452 4.715 30 20 DJED CC[C@@H](c1ccccc1)N(C(=O)c1ccc(C#N)s1)C(C)C 598886837 XEAAXBYDFFXFOL-INIZCTEOSA-N 312.438 4.622 30 20 DJED C=CC1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 599710765 PODASFAEBBQULC-UHFFFAOYSA-N 319.448 4.633 30 20 DJED CCc1ccc([C@@H](C)C(=O)Nc2sc(C)c(C)c2C#N)cc1 609019094 ZBBVGDMHDUBODB-GFCCVEGCSA-N 312.438 4.541 30 20 DJED N#Cc1ccccc1-c1ccc(CN2CCC[C@@H]2C2CC2)cc1 609133611 LVGGTNOTFIVXPI-OAQYLSRUSA-N 302.421 4.600 30 20 DJED C[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)c1cccc(C#N)c1 613281333 GFIGHZFHNMUSGM-LLVKDONJSA-N 315.298 4.622 30 20 DJED C#Cc1cccc(N(C(=S)Nc2cccc(C)c2)C(C)C)c1 728226590 GDUQCEDLTIHKSI-UHFFFAOYSA-N 308.450 4.588 30 20 DJED C=C(Cl)CNC(=O)Nc1ccc(S[C@H](C)CC)cc1C 736965871 ZKJOWXFYUNHXQZ-GFCCVEGCSA-N 312.866 4.760 30 20 DJED COc1cccc(F)c1C(C)=NNc1cccc2ccccc12 741810196 NAUSEJDPIAJJLA-UHFFFAOYSA-N 308.356 4.824 30 20 DJED O=C(/C=C\c1nc(Cl)cs1)c1ccc(C(F)(F)F)cc1 759076789 PNTMZUDULXABFU-WAYWQWQTSA-N 317.719 4.711 30 20 DJED CCCCCCCCCCC(=O)N(C)c1ccc(Cl)nn1 760535580 CETGANPRVUHTME-UHFFFAOYSA-N 311.857 4.624 30 20 DJED CC(C)(C)Oc1ccc(C(=O)/C=C\c2ccc(Cl)nc2)cc1 764922114 WEXUDDHZEXWBPG-WMZJFQQLSA-N 315.800 4.808 30 20 DJED N#Cc1ccc(NCc2ccc(CF)cc2)cc1C(F)(F)F 777539082 BNVTWYXBVXFBPP-UHFFFAOYSA-N 308.278 4.659 30 20 DJED CCOc1ccc(C(=O)/C=C\c2ccc(Cl)nc2Cl)cc1 779358413 IRAUUVBLQPSFMY-UITAMQMPSA-N 322.191 4.683 30 20 DJED CC[C@H](C)[C@H](C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 779836335 CUCMGUAMGYMNAV-TWOQFEAHSA-N 320.436 4.963 30 20 DJED Cc1cc(/C=C2/Cc3c(F)cccc3C2=O)cc2cccnc12 783709164 XYEJFSVNRPJRBA-GDNBJRDFSA-N 303.336 4.505 30 20 DJED C=CCOc1ccc(CN[C@H](CC)c2ccc(C)cc2O)cc1 797006365 IUBPPOLQBZLBEC-LJQANCHMSA-N 311.425 4.506 30 20 DJED CCc1cc(C)cc(CC)c1NC(=O)/C=C\c1ccccc1C#N 797361148 OEXNJUZAHSRTPX-KHPPLWFESA-N 318.420 4.643 30 20 DJED Cc1cc(C(=O)/C=C\c2csc(-c3cccs3)n2)oc1C 799896785 KHKPGAQRLLYLDF-WAYWQWQTSA-N 315.419 4.978 30 20 DJED CCCC[C@H](C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 800385942 FTGKYZZDXRUAQX-JQWIXIFHSA-N 320.845 4.952 30 20 DJED C#Cc1ccccc1CC(=O)N(CCCC)[C@H](C)c1ccc(C)o1 810260457 LBNGUFSLVLJMIL-QGZVFWFLSA-N 323.436 4.502 30 20 DJED C[C@@H]1Sc2sccc2C(=O)/C1=C/c1cccc(F)c1C#N 811692502 XEAMRLONLPRQTP-SZUMLMDFSA-N 315.394 4.519 30 20 DJED Cc1sc(NC(=O)/C=C\c2ccc(Cl)s2)c(C#N)c1C 821759830 KNSWPTAHVRDEHT-XQRVVYSFSA-N 322.842 4.603 30 20 DJED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(Cl)cc1O 841747621 CXROCODDQRQKEL-DYVFJYSZSA-N 314.816 4.741 30 20 DJED N#Cc1ccccc1NCc1cc(Cl)cc(Br)c1 863997240 XQIMLTAOSRPHPC-UHFFFAOYSA-N 321.605 4.586 30 20 DJED CC(=NNc1ncccc1C(F)(F)F)c1cc(C)c(C)cc1C 915050656 YBXHTPRXICUCJZ-UHFFFAOYSA-N 321.346 4.862 30 20 DJED CCCC1C/C(=C/c2cccnc2)C(=O)/C(=C\c2cccnc2)C1 916137962 YKKRRNHLJNCTPE-YXZJEIOKSA-N 318.420 4.723 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C\c1ccsc1 919673408 UGJIQHBKXNADKA-UTCJRWHESA-N 323.870 4.691 30 20 DJED CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](C#N)C1 929141452 QBOIOZFCZNCJKY-HNNXBMFYSA-N 313.445 4.701 30 20 DJED CC[C@H](Nc1ccc(OCC#N)cc1)c1cc(Cl)ccc1O 1116651810 UBWAXMOGRKNNLV-INIZCTEOSA-N 316.788 4.511 30 20 DJED CC[C@@H](NCc1cccc(Cl)c1F)c1ccc(C#N)cc1 1116810605 XUPOSRDCBDHKHS-MRXNPFEDSA-N 302.780 4.592 30 20 DJED N#CC[C@H](C(=O)N1CCC(C2CCCCC2)CC1)c1ccccc1 1130808312 YEULCDIZFBMBBO-FQEVSTJZSA-N 324.468 4.503 30 20 DJED CC(C)CCN(CCC#N)Cc1ccc(-c2ccc(F)cc2)o1 1180031278 XKYISDVJXSRSJK-UHFFFAOYSA-N 314.404 4.847 30 20 DJED Cc1cccc(C)c1CN(Cc1ccc(C#N)cc1F)CC(C)C 1182523082 XPPJFUVCQQKXEL-UHFFFAOYSA-N 324.443 4.972 30 20 DJED Cc1cc(C#N)ccc1CN1CC=C(c2cccc(Cl)c2)CC1 1193990326 NQDDXROMDAGVAQ-UHFFFAOYSA-N 322.839 4.809 30 20 DJED CC(C)(C)c1ccc(C(=O)N2CCCc3cc(C#N)ccc32)s1 1273620943 QIDQHMMZRMMPDR-UHFFFAOYSA-N 324.449 4.510 30 20 DJED Cc1ccc(N(CC(C)C)C(=O)CC2(C#N)CCCCC2)cc1 1276426009 LLSLEENRASNQEM-UHFFFAOYSA-N 312.457 4.848 30 20 DJED Cc1nc(NCC(C)(C)C#N)c2c(-c3ccccc3)csc2n1 1319979082 XEDHFVXIBSRMLN-UHFFFAOYSA-N 322.437 4.628 30 20 DJED CCCCC[C@@H](CC)c1nnc(COc2ccccc2C#N)o1 1349921054 DUXOSWAKPKQWIY-CQSZACIVSA-N 313.401 4.594 30 20 DJED CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)N(C)C1(C#N)CCC1 1435573553 RSYHISQZFNJCSF-KOHRHEQBSA-N 316.489 4.524 30 20 DJED C[C@H](OC(=O)c1ccc(F)c2ccccc12)c1cccc(C#N)c1 1457758508 AMENKLHBHXWLMP-ZDUSSCGKSA-N 319.335 4.769 30 20 DJED Cc1cc(Nc2cccc(F)c2C#N)cnc1N1CCCC[C@H]1C 1472741263 YGOFNHCWSSWZFB-CQSZACIVSA-N 324.403 4.523 30 20 DJED Cc1cc(Cl)ccc1C(=O)Nc1cc2ccccc2cc1C#N 1528322540 NWJPJEGQDTYEKZ-UHFFFAOYSA-N 320.779 4.926 30 20 DJED CCC[C@H]1CCC[C@H]1C(=O)N(c1ccccc1C#N)C1CCC1 1528687262 WLIFIPQLDHIZGB-MAUKXSAKSA-N 310.441 4.660 30 20 DJED CCc1c(C)sc(NC(=O)c2cc3c(C)cccc3o2)c1C#N 1536890183 VZAGCAKKNONMDQ-UHFFFAOYSA-N 324.405 4.798 30 20 DJED Cc1ccc(C)c(COc2ccc(Br)c(C#N)c2)c1 1559475688 VKZZZUGLBPRWPM-UHFFFAOYSA-N 316.198 4.517 30 20 DJED Cc1cc(CN2CCc3ccccc3[C@H]2C(C)C)ccc1C#N 1560638035 XRVNTRVYQADYTM-OAQYLSRUSA-N 304.437 4.622 30 20 DJED CC(C)CCN(CCC#N)[C@@H]1C[C@H](C)Sc2sccc21 1560657479 OBIOMHNEHMLGHL-DZGCQCFKSA-N 308.516 4.935 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 1584415128 JVYMQLFBNJQYLC-WSTLGDPDSA-N 324.468 4.684 30 20 DJED CCCC[C@@H](C(=O)N(c1ccccc1C#N)C1CCC1)C(C)C 1586218267 ZMXFQAXZOAKTLA-GOSISDBHSA-N 312.457 4.906 30 20 DJED N#Cc1cc(Cl)ccc1S[C@@H](C#N)CCc1ccccc1 1640961416 YMKVBCSXEZIFBO-MRXNPFEDSA-N 312.825 4.829 30 20 DJED N#Cc1nc(N2CCC[C@@H]2CC2CCCCC2)ccc1Cl 1642165364 GJJMNUCXZKLLSR-CQSZACIVSA-N 303.837 4.546 30 20 DJED CCC(CC)CSc1nc(C)cc(C(F)(F)F)c1C#N 1651727156 CIUAWKQBPJPABE-UHFFFAOYSA-N 302.365 4.809 30 20 DJED Cc1cc(C)c(/C=C\CNc2cccc(OCC#N)c2)c(C)c1 1652158527 HLUHELFERFZOSX-YVMONPNESA-N 306.409 4.640 30 20 DJED CC1(C)CCc2ccccc2[C@@H](NCc2cccc(F)c2C#N)C1 1659005534 UUVCQTYHYCVLLT-FQEVSTJZSA-N 322.427 4.891 30 20 DJED C[C@@H](NCCc1ccc(C#N)cc1)c1csc2ccccc12 1660542806 SCDXKIHWNDTULU-CQSZACIVSA-N 306.434 4.666 30 20 DJED CC(C)Oc1ccc2ccccc2c1CNC[C@@H](C)CCC#N 1664189948 LPTOWRYCAMUFTN-INIZCTEOSA-N 310.441 4.656 30 20 DJED CC(C)(C)c1nc(-c2cn(CCC#N)c3ccccc23)cs1 59742785 SZNCWRFXPIDLMM-UHFFFAOYSA-N 309.438 4.976 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1c(F)cccc1F 70019131 XSMSKUPACPHZHJ-UHFFFAOYSA-N 308.372 4.565 30 20 DJED Cc1cc2c(S[C@@H](C)c3ccc(C#N)cc3)ncnc2s1 90201454 RGPQHWWMDLJQLN-NSHDSACASA-N 311.435 4.725 30 20 DJED Cc1nnc(SCCCC(C)(C)C#N)n1[C@H]1CCC[C@H](C)C1 127586381 CBLFMJWXZGPEQT-ZFWWWQNUSA-N 320.506 4.760 30 20 DJED CC[C@H](C)[C@@H](C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 180344533 PSHOQEQLADRQOY-MELADBBJSA-N 304.459 4.702 30 20 DJED C[C@H](N[C@@H](C)c1nc(C(C)(C)C)cs1)c1cccc(C#N)c1 181719150 IAMBDGQJGLUKCB-STQMWFEESA-N 313.470 4.724 30 20 DJED CCCCC[C@@H](CC)C(=O)Nc1ccccc1O[C@H](C)C#N 182076293 QWSOUAFYXDJDQZ-HUUCEWRRSA-N 302.418 4.522 30 20 DJED C[C@@H](Nc1ccc2oc(C3CC3)nc2c1)c1cccc(C#N)c1 192984206 JQHJOVSBTMYACJ-GFCCVEGCSA-N 303.365 4.750 30 20 DJED CCCOc1cc(C)ccc1N[C@H](C)c1ccc(OCC#N)cc1 193908361 JXAKBCCWUGEYAF-MRXNPFEDSA-N 324.424 4.859 30 20 DJED CC[C@@H](CNCc1cccc(OCCCC#N)c1)c1ccccc1 236991721 DEHQZJPCQLICPL-IBGZPJMESA-N 322.452 4.653 30 20 DJED Cc1cc(COc2ccc(C#N)cc2Cl)c2ccccc2n1 316653711 IENXFPFNEPIXDA-UHFFFAOYSA-N 308.768 4.647 30 20 DJED COc1cc(N=C(O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)ccc1O 328618002 USHOSQQCXUJRJD-BFHYXJOUSA-N 303.402 4.595 30 20 DJED Cc1nc(C)c(-c2csc(N=C(O)[C@@H]3CC[C@@H](C)C3)n2)s1 329253120 YXJLJRSCIIKVHS-LDYMZIIASA-N 321.471 4.908 30 20 DJED Cc1cc(C)c2nc(N=C(O)C[C@@H]3CCC(=O)[C@H]3C)sc2c1 330001013 XLGZHAHBURZMKS-RYUDHWBXSA-N 316.426 4.506 30 20 DJED CC(C)(C)c1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2o1 434422786 BSTQIVNMYLRXPK-AWEZNQCLSA-N 318.376 4.615 30 20 DJED N#CCc1cccc(NC(=O)N2CCCC[C@H]2c2ccccc2)c1 455908634 RESLGBOSQSSLRO-IBGZPJMESA-N 319.408 4.512 30 20 DJED CC[C@@H](c1ccccc1)N(CC)C(=O)Nc1cccc(CC#N)c1 455920408 NKWDPOJLZXSCTE-IBGZPJMESA-N 321.424 4.758 30 20 DJED C[C@H](CN[C@@H]1CCC[C@H](C#N)C1)c1c(Cl)cccc1Cl 463303227 QMDMAARNVKSYPN-FRRDWIJNSA-N 311.256 4.769 30 20 DJED CC(C)(CCC#N)CN1CCC(=Cc2ccc(F)c(F)c2)CC1 470549563 YTWBVDZTIXABNZ-UHFFFAOYSA-N 318.411 4.774 30 20 DJED C=CCCC1(C(=O)N2CCC(c3cccc(Cl)c3)CC2)CC1 478256582 UAHKEIFMZLQIIS-UHFFFAOYSA-N 317.860 4.792 30 20 DJED C=C(C)CN(CC)C(=O)CCCCCO[C@H]1CCC[C@H](C)C1 499196996 MPLIOLQFRJZGCS-ROUUACIJSA-N 309.494 4.567 30 20 DJED CN(Cc1ccc(C#N)cc1)Cc1c(Cl)oc2ccccc12 507212215 OGRGFRMAYIIVJQ-UHFFFAOYSA-N 310.784 4.590 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCC(C)(C)C1 514221477 DQVLMQJTSXJPOD-KGLIPLIRSA-N 316.470 4.703 30 20 DJED CC(C)[C@H](NCCC(C)(C)C#N)c1cccc(C(F)(F)F)c1 537412298 UKGCCGRXPDGHOD-HNNXBMFYSA-N 312.379 4.932 30 20 DJED N#CCCCCCC(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 588755569 PVXFIFKNIYOEJA-APHAIJBRSA-N 324.468 4.945 30 20 DJED C[C@@H](NC(=O)Nc1cccc(C2CCC2)c1)c1cccc(C#N)c1 589775674 AHHKVVHDQYAZFG-CQSZACIVSA-N 319.408 4.708 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1cc2cccc(F)c2o1 607827592 IHWFATXHQIOOGL-UHFFFAOYSA-N 315.388 4.780 30 20 DJED CCCCCNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609208725 CDHFYNOKFMFADN-UHFFFAOYSA-N 323.396 4.662 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccccc1SC(F)(F)F 729560037 SWAGVYAVDMPHKK-UHFFFAOYSA-N 318.364 4.728 30 20 DJED CC(C)C(=NNc1oc(C(C)(C)C)nc1C#N)C1CCCCC1 733901082 BEDGTRICLLXRFT-UHFFFAOYSA-N 316.449 4.848 30 20 DJED C[C@H](C(=O)O[C@H](C)c1cccc(C#N)c1)c1cccc(Cl)c1 744100372 FKZOPDHKRJUWJR-QWHCGFSZSA-N 313.784 4.620 30 20 DJED N#Cc1c(Cl)nsc1NCc1cccc(Cl)c1Cl 746079169 NTLVCBNDJKHKIC-UHFFFAOYSA-N 318.616 4.587 30 20 DJED CC(C)CC(=NNc1nc2ccccc2s1)c1ccccn1 760219546 VEWBHUZZNJMJJY-UHFFFAOYSA-N 310.426 4.554 30 20 DJED O=C(/C=C\c1ccc(C(F)(F)F)s1)c1cc(F)ccc1F 761475439 CWWZLJDOCNIKPR-DJWKRKHSSA-N 318.266 4.941 30 20 DJED FC(F)(F)c1csc(NN=C2CC[C@@H]2c2ccccc2)n1 769793744 PWCWELUDJKUPLB-SNVBAGLBSA-N 311.332 4.507 30 20 DJED C#CC[C@@H](N[C@H](C)c1ccc(F)cc1Cl)c1ccccc1 773113317 DBMMDFFYIJIUFV-FZKQIMNGSA-N 301.792 4.894 30 20 DJED CCc1cnccc1C(=O)/C=C/c1coc(-c2ccc(C)cc2)n1 776193030 VYWWHKASOKXYPO-CMDGGOBGSA-N 318.376 4.504 30 20 DJED O=C1/C(=C\c2ccc(SC(F)F)cc2)Cc2c(O)cccc21 781548239 XUDAWBHUKIGMSY-FLIBITNWSA-N 318.344 4.529 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1ccc2cnccc2c1 782325461 CBSRPACWHOUEGF-VURMDHGXSA-N 319.408 4.525 30 20 DJED CC(C)(C#N)CCCOC(=O)C1(Cc2ccc(Cl)cc2)CC1 784504316 DDRJIDKNOBCJHC-UHFFFAOYSA-N 319.832 4.536 30 20 DJED c1ccc(C[C@@H]2CCCC2=NNc2nccnc2C2CCC2)cc1 807992420 IWAZPAWBEAEEOH-KRWDZBQOSA-N 320.440 4.555 30 20 DJED FC(F)(F)Sc1ccc(C=NOCc2ccccc2)cc1 839423496 RBWGSVKOEUICOM-UHFFFAOYSA-N 311.328 4.849 30 20 DJED CCCCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915352374 KQBAUFIISORXAP-LJQANCHMSA-N 321.424 4.654 30 20 DJED Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc(-c2cccs2)cc1 915987150 VJNWDBFEAWGDOB-MDZDMXLPSA-N 308.406 4.651 30 20 DJED Cc1cccc2c(C(=O)Nc3ccc(C#N)c(Cl)c3)coc12 1124359369 GNEIZOKHWAQPKY-UHFFFAOYSA-N 310.740 4.519 30 20 DJED Cc1ccc(C)c(-n2ccnc2SCc2ccccc2C#N)c1 1165266508 AEVQVXDRPQIIOG-UHFFFAOYSA-N 319.433 4.653 30 20 DJED C[C@@H]1CC[C@H](C(F)(F)F)CN1CCCCC1(C#N)CCC1 1262242227 WECRPYJMEWSWNW-KGLIPLIRSA-N 302.384 4.513 30 20 DJED Cc1ccc(Cl)cc1C(=O)N(c1ccccc1C#N)C1CCC1 1279122910 UCHHAMFNLHMVHU-UHFFFAOYSA-N 324.811 4.719 30 20 DJED Cc1cc(Oc2ncnc3cccc(C)c23)c(C)c(C)c1C#N 1307116087 YUIIHRHXSMDCJB-UHFFFAOYSA-N 303.365 4.527 30 20 DJED CCC(=NNc1ccc(C(C)(C)C)nn1)c1cccc(Cl)c1 1318574632 DZXPWQIBAAOKRV-UHFFFAOYSA-N 316.836 4.654 30 20 DJED Cc1cc(SC[C@@H](C)COCc2ccccc2)ccc1C#N 1473049274 UBYKPWFIEAZEAN-HNNXBMFYSA-N 311.450 4.812 30 20 DJED C[C@H](Sc1nc2ncc(Cl)cc2o1)c1cccc(C#N)c1 1641441336 QKANPXTZFDEZAF-VIFPVBQESA-N 315.785 4.601 30 20 DJED CCCN(Cc1cccc(C#N)c1F)[C@@H]1CCc2ccccc21 1644426643 KUMMYOCYAZNWSF-LJQANCHMSA-N 308.400 4.597 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CCc2cc(C(C)(C)C)ccc2C1 1644478704 RSEYLJOFTUZLND-MRXNPFEDSA-N 318.464 4.975 30 20 DJED CN(Cc1ccc(OCC#N)cc1)C1CC(C)(C)CC(C)(C)C1 1647473438 MOTCXQKKSQFPHR-UHFFFAOYSA-N 314.473 4.626 30 20 DJED Cc1cc(C)cc(CCNc2nc(C(C)(C)C)ccc2C#N)c1 1650772093 JWPXSGVFJLCTFH-UHFFFAOYSA-N 307.441 4.522 30 20 DJED CC(C)(CCC#N)CNc1ccnc(-c2cccc(Cl)c2)n1 1651118627 ULGXGLFUQPXVAM-UHFFFAOYSA-N 314.820 4.539 30 20 DJED C[C@H]1CCC[C@H]([C@H](C)Nc2nc(C(F)(F)F)ccc2C#N)C1 1651151444 SPGXLQBFNGRGDK-SRVKXCTJSA-N 311.351 4.599 30 20 DJED C[C@@H](CCC#N)CNc1cc(Cl)ccc1OC(F)(F)F 1658162944 JGIVLGQQAMKUQU-VIFPVBQESA-N 306.715 4.590 30 20 DJED N#Cc1ccc(/C=C\c2nc(-c3ccc(F)cc3)cs2)cc1 33462974 FUGQNAXNWUTWFD-YHYXMXQVSA-N 306.365 4.991 30 20 DJED CC(C)(C)CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 65680131 IWJUWKVFSDCTBJ-UHFFFAOYSA-N 308.381 4.725 30 20 DJED CCCCCCNC(=O)Nc1ccccc1S[C@H](C)CC#N 66955736 OVQPNLWEFOZMNQ-CQSZACIVSA-N 319.474 4.783 30 20 DJED O=C1/C(=C/c2csc(-c3cccs3)n2)Cc2ccccc21 78481465 OTVBPGVANLHCEL-FMIVXFBMSA-N 309.415 4.694 30 20 DJED C=CCC(CC=C)C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F 150963655 RIXNHOOFYQLRFI-RDTXWAMCSA-N 301.405 4.504 30 20 DJED O=C(/C=C/c1csc(-c2cccs2)n1)c1ccccc1F 156582178 UFCFSOYRLVIQPN-BQYQJAHWSA-N 315.394 4.907 30 20 DJED C=CCCC(=O)Nc1ccccc1NCc1ccc(Cl)cc1 158106183 YRWFJLMEZQNRND-UHFFFAOYSA-N 314.816 4.857 30 20 DJED CCCCOc1cc(CNc2ccc(CC#N)cc2)ccc1OC 236663606 JHEUZGLPZYYXAE-UHFFFAOYSA-N 324.424 4.552 30 20 DJED CC(C)(CCC#N)CNCc1ccccc1Oc1ccccc1 236818705 ONANHDWLBSQFNT-UHFFFAOYSA-N 308.425 4.898 30 20 DJED CCc1ccc(C(=O)/C=C\c2csc(-c3ccsc3)n2)o1 255581765 PEAWHQGVPAFUJW-HYXAFXHYSA-N 315.419 4.923 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@H]2CCc3c(Cl)cccc32)c1 302095472 IYBTZNZECBKSJX-KRWDZBQOSA-N 310.784 4.514 30 20 DJED C[C@H](Nc1ccc(F)cc1C#N)c1ccc(C(F)(F)F)cc1 317367224 JNFULQALMWLSIV-JTQLQIEISA-N 308.278 4.889 30 20 DJED Cc1cc(N=C(O)c2coc(C3CCCCC3)n2)cc2n[nH]cc12 328757865 VJLAHHMMFXYBJF-UHFFFAOYSA-N 324.384 4.543 30 20 DJED Cc1noc(C)c1N/C(O)=N/[C@@H](C)c1ccc(C(C)C)cc1 330597540 VXTALFGWTXCADJ-NSHDSACASA-N 301.390 4.502 30 20 DJED C[C@@H](C1CC1)N(C(=O)CCCC#N)c1cccc(C(F)(F)F)c1 361677316 ICWBUTKEDFGYEM-LBPRGKRZSA-N 324.346 4.531 30 20 DJED CSc1cc(C)ccc1NC(=O)N(CCC#N)CCC(C)C 417211849 GMTQJAFLLVEEKP-UHFFFAOYSA-N 319.474 4.511 30 20 DJED COC1([C@H](C)Nc2cccc(OCCCC#N)c2)CCCCC1 421837761 SHMBBVRPCWMGKS-INIZCTEOSA-N 316.445 4.519 30 20 DJED C=CCN(Cc1ccccc1)C(=O)c1ccc(C(C)(F)F)cc1 429853000 QRRRLOJXDLXYGO-UHFFFAOYSA-N 315.363 4.627 30 20 DJED C[C@@H]1SCCN(CCCCC(C)(C)C#N)[C@H]1c1ccccc1 444651392 GIOFJZFCPATJID-FUHWJXTLSA-N 316.514 4.885 30 20 DJED C=C(C)CN(Cc1ccccc1)Cc1nc2ccc(F)cc2o1 470923910 QVLMVEOKNKXAAC-UHFFFAOYSA-N 310.372 4.545 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1c(F)cccc1F 471132751 GONSMXRDKLIKHT-UHFFFAOYSA-N 316.351 4.575 30 20 DJED C=CCC[C@H](NC(=O)N1CCCC2(CCC2)C1)c1ccccc1 472062150 INHFRAPTHWSDTI-SFHVURJKSA-N 312.457 4.670 30 20 DJED Cc1cc(CN[C@H](C)c2ccc(F)cc2Cl)ccc1C#N 488130035 RURLCZDGMJEEFB-GFCCVEGCSA-N 302.780 4.510 30 20 DJED C=CCCCCCN(C)C(=O)c1ccc(F)cc1C(F)(F)F 488218406 GJDLKNNSPCPKIG-UHFFFAOYSA-N 317.326 4.663 30 20 DJED C=CCC[C@@H](Nc1ccc(C)c(C(=O)N(C)C(C)C)c1)C1CC1 494494641 LVBSRJKVULXZAF-LJQANCHMSA-N 314.473 4.632 30 20 DJED C[C@@H]1CCC[C@H](c2noc(C[C@H](CC#N)c3ccccc3)n2)C1 516892388 JGACKXIZZGSJET-PVAVHDDUSA-N 309.413 4.603 30 20 DJED C[C@@H](Sc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(Cl)cc1 521718758 QDHZYROUCPORIB-SNVBAGLBSA-N 318.785 4.973 30 20 DJED C=CC[C@H](C)NC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 523941987 MBONYPPGLLCXLP-BBRMVZONSA-N 306.425 4.567 30 20 DJED N#Cc1ccc2nc(N3CCC[C@H]3c3ccc(F)cc3)ccc2c1 538979177 MBVQTESIVRCCBB-IBGZPJMESA-N 317.367 4.587 30 20 DJED C=CC[C@H](C)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 540171065 MOYBXOXSDRMMFQ-SWLSCSKDSA-N 316.445 4.881 30 20 DJED N#CC1(CN[C@H](Cc2ccccc2Cl)c2ccccc2)CC1 540589653 HAKQMTBZLCHOJE-GOSISDBHSA-N 310.828 4.517 30 20 DJED N#Cc1cccc(S[C@H](c2ccccc2)c2ccc(F)cc2)n1 548964545 JJHOGWSOYWZXFK-LJQANCHMSA-N 320.392 4.974 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1cc(Cl)c(F)cc1Cl 550261792 GFGUTKNCMOGYHP-UHFFFAOYSA-N 323.154 4.565 30 20 DJED CC[C@@H](CC(=O)N(CCC#N)c1ccc(F)cc1)c1ccccc1 553943835 JSKMJDFPAXVNDX-INIZCTEOSA-N 324.399 4.656 30 20 DJED CC(C)(C#N)CCSCc1ccc(OC(F)(F)F)cc1 583522004 MDRJARFRRHQQNZ-UHFFFAOYSA-N 303.349 4.758 30 20 DJED C=C(C)COc1cccc(NC(=O)Nc2ccc(F)cc2F)c1 589652438 LRLVUPCGOUVAAW-UHFFFAOYSA-N 318.323 4.564 30 20 DJED CSc1ccc(C)c(NC(=O)CC2(C#N)CCCCC2)c1 597479151 KANZDQYUOUFJEE-UHFFFAOYSA-N 302.443 4.520 30 20 DJED Cc1ccccc1[C@H](N[C@H]1CCCc2cc(C#N)ccc21)C1CC1 611392689 DPZJEPDAHSYAAV-FCHUYYIVSA-N 316.448 4.985 30 20 DJED C[C@H](Nc1ccn([C@H](C)c2ccccc2)n1)c1cccc(C#N)c1 611475562 CGBKUFQPEGJCII-JKSUJKDBSA-N 316.408 4.537 30 20 DJED C=CCN(Cc1ccccc1)C(=O)c1oc2c(F)cccc2c1C 642112980 VRTJKDQGGMBKQR-UHFFFAOYSA-N 323.367 4.709 30 20 DJED C=C(C)COc1cccc(NCc2c[nH]nc2-c2ccc(C)o2)c1 676322670 KMWLCTYFERKHKO-UHFFFAOYSA-N 323.396 4.545 30 20 DJED CC(=NNc1ccccc1)c1cnn(-c2cccc(Cl)c2)c1C 731560608 VYHUMHFHCBBVPZ-UHFFFAOYSA-N 324.815 4.670 30 20 DJED Oc1c(Cl)cc(Cl)cc1/C=N\[C@H]1CSc2ccccc21 735414980 OZYYWXHFLNSDTB-CZVDMKNNSA-N 324.232 4.965 30 20 DJED CCOc1cccc(C(=O)/C=C\c2nccc3ccccc23)c1 740765197 RWPVMEXGCUOOQJ-KHPPLWFESA-N 303.361 4.530 30 20 DJED CCC(=NNc1oc(CC(C)C)nc1C#N)c1ccc(CC)cc1 745613081 KXONUHCRDWJXFM-UHFFFAOYSA-N 324.428 4.533 30 20 DJED CCOC(=O)c1ccc(/C=C\C(=O)c2ccc3ccccc3c2)o1 748440661 LXVGRFLENRSGAK-LUAWRHEFSA-N 320.344 4.506 30 20 DJED CCC(CC)S[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 750953100 MKZWUTMMQNYNMU-OAHLLOKOSA-N 318.486 4.552 30 20 DJED CC(C)Oc1ccccc1C=NOCCCCC(F)(F)F 752762191 VKSUVXUGECUBRN-UHFFFAOYSA-N 303.324 4.557 30 20 DJED CC(Cc1ccncc1)=NNc1cc(C)c2ccc(C)c(C)c2n1 767761916 DPMRPNBZAUDDNO-UHFFFAOYSA-N 318.424 4.586 30 20 DJED CC(C)[C@@H](c1ccccc1)N(C)Cc1ccc(O[C@@H](C)C#N)cc1 769402782 CZURJFMQTTUHMG-UWJYYQICSA-N 322.452 4.807 30 20 DJED C=C(CC)COC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 773520939 CPSIHAAYSOHWHV-YPXDRJKUSA-N 316.363 4.645 30 20 DJED O=C1C/C(=C/c2cc3ccccc3s2)C(=O)c2ccccc2N1 774140246 GUVGHMNLTUBECX-RAXLEYEMSA-N 319.385 4.510 30 20 DJED C[C@H](C#N)Oc1ccccc1N[C@H]1CCCCc2ccccc21 779713791 ZJXGLEHQPKVZFJ-QAPCUYQASA-N 306.409 4.857 30 20 DJED C[C@H](Nc1cccc2c1OC(C)(C)C2)c1ccc(C#N)c(F)c1 788980842 AJQWQTQLNLOOCV-LBPRGKRZSA-N 310.372 4.584 30 20 DJED Cc1c(C(=O)/C=C/c2ccsc2Cl)cnn1C(C)(C)C 790227218 CTBNADQQMDSXKJ-AATRIKPKSA-N 308.834 4.558 30 20 DJED C#CC[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 795812820 SLYINOOCIDOMND-FCHUYYIVSA-N 314.432 4.680 30 20 DJED CC(C)Cc1cccc([C@@H](C)NCc2ccc(OCC#N)cc2)c1 796821736 VLOISTCXPKOHPZ-QGZVFWFLSA-N 322.452 4.638 30 20 DJED C/C(=C\C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)c1ccccc1 797567149 YYUIWSNJDWXRSA-VOMSXAGXSA-N 324.449 4.720 30 20 DJED C[C@H]1/C(=C/c2ccc([N+](=O)[O-])c(Cl)c2)C(=O)c2ccccc21 809159090 IAAVEHRCGAMMNC-DOQDJBIESA-N 313.740 4.632 30 20 DJED C[C@@H](Nc1ccccc1C(C)(F)F)c1ccc(OCC#N)cc1 834880606 BWKFIUWFZSPGKA-CYBMUJFWSA-N 316.351 4.874 30 20 DJED CC(C)(C)CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915086940 NZVTZQQNAFYLHN-GOSISDBHSA-N 306.409 4.717 30 20 DJED COc1cc(C#N)ccc1CS[C@@H](C)c1ccccc1F 1165594335 WJIYCJBOONWJTD-LBPRGKRZSA-N 301.386 4.700 30 20 DJED Cc1ccc([C@@H](CC(F)(F)F)N[C@@H](C)CC(C)(C)C#N)cc1 1180594645 UZTHIQGLTWYVPS-DZGCQCFKSA-N 312.379 4.907 30 20 DJED Cc1cc(C)cc(C2CCN(Cc3ccc(C#N)cc3F)CC2)c1 1184198462 YAWZBLDVGNJXIW-UHFFFAOYSA-N 322.427 4.694 30 20 DJED CC[C@@H](C)Oc1cc(C)ccc1CNc1cccc(F)c1C#N 1185785701 VVNYWPDFSGIYKQ-CQSZACIVSA-N 312.388 4.795 30 20 DJED CC(C)(C)C[C@@H]1CCN(C(=O)NCC(C)(C)CCC#N)C1(C)C 1229538416 IIXYMQFIOUYHFK-HNNXBMFYSA-N 321.509 4.563 30 20 DJED N#Cc1ccc2c(c1)N(Cc1c(Cl)oc3ccccc13)CC2 1459887763 ACIOMHOSZWKNLN-UHFFFAOYSA-N 308.768 4.521 30 20 DJED C[C@H]1CC[C@@H](CC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 1526614174 YCDQWEBJAMSPPG-UONOGXRCSA-N 314.429 4.500 30 20 DJED Cc1ccc(C)c2c(C)c(C(=O)O[C@H]3CCC[C@H](C#N)C3)oc12 1528490088 OOFFIJYBZPXYTO-GJZGRUSLSA-N 311.381 4.597 30 20 DJED C[C@H]1CN(C(=O)CC2(C#N)CCCCC2)CC[C@@H]1c1ccccc1 1532789910 MMRWXWYCPOAWSN-HKUYNNGSSA-N 324.468 4.503 30 20 DJED Cc1ccccc1[C@H](Nc1cc(C#N)ncn1)[C@H]1CCC[C@H](C)C1 1559102003 ZYEHMEBNIAJZGK-DKICVRJWSA-N 320.440 4.636 30 20 DJED CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)c1cccc(C)c1F 1597606822 NOFOFPGWNGQMRA-UHFFFAOYSA-N 324.399 4.602 30 20 DJED CC[C@@H](CSc1ccccc1)Nc1nc(Cl)c(C#N)s1 1612165168 OUIBUZGZUBLGBD-JTQLQIEISA-N 323.874 4.651 30 20 DJED C[C@@H]1CCN(c2c(C#N)cnc3c(Cl)cccc23)C[C@H](C)C1 1651430196 SMTNFEOZSHISJM-CHWSQXEVSA-N 313.832 4.632 30 20 DJED N#Cc1csc(CNCC2(c3cccs3)CCCCC2)c1 1655678658 NCHNVMSRCZSVPE-UHFFFAOYSA-N 316.495 4.673 30 20 DJED C[C@@H]1CC[C@@H](Nc2ccc(Oc3ccnc(C#N)c3)cc2)C[C@H]1C 1658056351 NAIGXBBRQSNZQI-BFYDXBDKSA-N 321.424 4.982 30 20 DJED CCN(Cc1ccc2ccccc2c1)Cc1ccc(C#N)cc1F 1658513314 JJUUTUHGHHDWOG-UHFFFAOYSA-N 318.395 4.873 30 20 DJED C[C@@H](CC(C)(C)c1ccccc1)N[C@H](C)c1cccc(C#N)c1 1660694933 FMLFMAZVWBSOID-DLBZAZTESA-N 306.453 4.965 30 20 DJED Cc1cc(C#N)cc(NC(=O)N2CCC(C)(CC(C)C)CC2)c1 1670905861 SYRYEQZCGLDBQP-UHFFFAOYSA-N 313.445 4.547 30 20 DJED CC[C@@H](C)c1ccc(/C=C/C(=O)c2cc(C(=O)O)ccc2O)cc1 1776698646 PGVSXONVFIGFRD-BCRSCGJKSA-N 324.376 4.500 30 20 DJED CCCc1cccc(/C=C\C(=O)c2cc(C(=O)O)ccc2C)c1 1776835551 QSRWUYJJGVQDCL-LUAWRHEFSA-N 308.377 4.542 30 20 DJED N#Cc1ccccc1CSCc1cc(-c2ccccc2)no1 30523929 XLHJMJRVCIMDKN-UHFFFAOYSA-N 306.390 4.647 30 20 DJED CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1cc(C)ccc1OC 93401127 LDFFELALMPVTKI-DNVCBOLYSA-N 308.425 4.677 30 20 DJED C=CCCCS[C@H](C)C(=O)Nc1ccc(F)cc1Cl 117944608 YGQUUTYYNHUESC-SNVBAGLBSA-N 301.814 4.506 30 20 DJED CCCCCCCCC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 131977425 NEVIBFPYETZZND-RBUKOAKNSA-N 317.473 4.774 30 20 DJED N#Cc1cccc(SCc2ncc(-c3ccc(F)cc3)o2)c1 177112134 MRDGRBFNLONMRK-UHFFFAOYSA-N 310.353 4.645 30 20 DJED Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)CC#N)cc2)c1 186854048 LTHDXMUWFSJLQR-UHFFFAOYSA-N 322.408 4.550 30 20 DJED Cc1nc2ccccc2nc1CS[C@H](C)c1cccc(C#N)c1 190779780 WYUVJXRVRJKGMI-CQSZACIVSA-N 319.433 4.804 30 20 DJED Cc1ccc(CSCCCC2(C#N)CCOCC2)cc1C 280944177 ILFUTXYRIYMGLI-UHFFFAOYSA-N 303.471 4.637 30 20 DJED C[C@@H](Nc1snc(Cl)c1C#N)c1cccc2ccccc12 301067568 DRYKKSXZKQDQRJ-SNVBAGLBSA-N 313.813 4.994 30 20 DJED CC[C@H](Sc1nc(C)nc(C)c1C#N)c1ccc(Cl)cc1 303017325 KYTZIGPLPSGYQY-HNNXBMFYSA-N 317.845 4.862 30 20 DJED C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccccc2)c1 303154500 GQDDJNFPMIAMKR-UHFFFAOYSA-N 317.413 4.576 30 20 DJED C[C@H]1C[C@@H](C(O)=Nc2cccc(OC3CCCC3)c2)CCC1=O 328918195 SAXOXRBWKRQWPS-KBPBESRZSA-N 315.413 4.601 30 20 DJED C=CCN(Cc1cccs1)Cc1cnc(C2CCC2)s1 349541827 KBURGFFXGHTJRV-UHFFFAOYSA-N 304.484 4.660 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccoc1C(C)C 361541836 TZNVMIIBFJUDTL-UHFFFAOYSA-N 324.424 4.573 30 20 DJED N#C[C@H]1CCC[C@H](N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C1 436308075 SNBDRJHOSVQEBA-CSFVBSKPSA-N 322.374 4.623 30 20 DJED CCN(Cc1c[nH]c2ccccc12)[C@H](C)c1cccc(C#N)c1 442889488 DXUTWVBDQAXHIK-OAHLLOKOSA-N 303.409 4.623 30 20 DJED CC[C@@H](NCc1ccc2ccccc2c1)c1ccc(C#N)cc1 447533491 XTGJCLNYZXUZMK-OAQYLSRUSA-N 300.405 4.952 30 20 DJED Cc1cc([C@H](NC2CCC(C)(C#N)CC2)C2CC2)ccc1F 449215834 ORZDXPJMRONNRS-CUYAVPTFSA-N 300.421 4.647 30 20 DJED CCC(CC)N(C(=O)c1cc(C#N)cs1)c1cccc(C)c1 471453232 RQMDJIWWFUCVDY-UHFFFAOYSA-N 312.438 4.764 30 20 DJED C[C@@H](NC[C@@H]1CCCCC(F)(F)C1)c1ccc(C#N)c(F)c1 495029548 NZTHTYWRYQEIRT-CHWSQXEVSA-N 310.363 4.564 30 20 DJED N#Cc1ccc(Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 500400637 SRAYJBWJWDDOQB-UHFFFAOYSA-N 313.332 4.704 30 20 DJED CCCC[C@H](C)C(=O)Nc1ccccc1S[C@H](C)CC#N 503318339 GAOJCVVJQLGECH-UONOGXRCSA-N 304.459 4.846 30 20 DJED N#Cc1ccc(C2=CCN(C(=O)CCC3CCCCC3)CC2)cc1 503963871 WSFPUHMIOFOWNB-UHFFFAOYSA-N 322.452 4.534 30 20 DJED N#CC1(F)CCN(Cc2ccc(C3CCCCC3)cc2)CC1 510889561 XPWSDWKTGPGNEM-UHFFFAOYSA-N 300.421 4.562 30 20 DJED C[C@@H](CCc1ccc(F)cc1F)N[C@@H](C)c1ccc(C#N)cc1 513648273 QJKIESAIHJVRLY-KBPBESRZSA-N 314.379 4.508 30 20 DJED CC(C)[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 523816864 HCCJVBCMMTXCMO-HNAYVOBHSA-N 312.457 4.588 30 20 DJED C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@H]2CCCC[C@H]21 527521588 UWEFRYPFUHRTSR-MNEFBYGVSA-N 324.468 4.529 30 20 DJED C=C[C@H](CC(=O)N(CC(F)F)c1ccccc1)c1ccccc1 535500706 JOQZAZHEJDIWNO-OAHLLOKOSA-N 315.363 4.645 30 20 DJED N#Cc1c(Cl)cccc1SCc1nc(C2CC2)cs1 543143315 LZMMISWEVSZOIK-UHFFFAOYSA-N 306.843 4.838 30 20 DJED CCN(CCC#N)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 543781392 HQNJCKGTAKZRQZ-UHFFFAOYSA-N 322.330 4.701 30 20 DJED CC(C)(C)[C@H](NCc1ccc(CC#N)cc1)c1ccc(F)cc1 544071081 MNRKRCQDBMSCRN-LJQANCHMSA-N 310.416 4.769 30 20 DJED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(-c2cccc(C#N)c2)cc1 549544957 RUYZSPHXEZZCAV-LUQKVYGDSA-N 315.420 4.568 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@@H]2NC1(c2cccc(C#N)c2)CC1 556606055 QUZHZSJTEIAZQE-KXBFYZLASA-N 302.421 4.694 30 20 DJED C[C@H](NCc1ccc(C#N)s1)c1ccc(F)c2ccccc12 564680132 RBUBLQKTCSRFSE-LBPRGKRZSA-N 310.397 4.763 30 20 DJED N#CCCC1CCN(c2ccc3cc(F)cc(Cl)c3n2)CC1 568082881 WPPRFFLPQCWFJO-UHFFFAOYSA-N 317.795 4.547 30 20 DJED N#CCCCCCC(=O)Nc1ccc(OCc2ccccc2)cc1 588148041 KGSNDHQRDZPCMN-UHFFFAOYSA-N 322.408 4.678 30 20 DJED C=CC[C@H](C)NC(=O)Nc1ccc(S[C@@H](C)CC)cc1C 604906607 OOTOWTRXZILRSQ-KBPBESRZSA-N 306.475 4.972 30 20 DJED C=CCCCCCN(C)C(=O)N[C@H]1CCc2c(Cl)cccc21 606920174 KHITZCQABAVWIA-KRWDZBQOSA-N 320.864 4.715 30 20 DJED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cc2ccccc2o1 618807638 VHXFFYXHZIJOMW-SCLBCKFNSA-N 302.377 4.643 30 20 DJED C=CC[C@H]1N(C(=O)c2cc3occc3s2)CCCC1(C)C 683457667 GGEFBMMNNQUEEB-OAHLLOKOSA-N 303.427 4.701 30 20 DJED CSc1ccc(C(=O)/C=C/c2cc(C)c(O)c(C)c2)cc1F 741847594 QREAPYJZGWBHKB-GQCTYLIASA-N 316.397 4.766 30 20 DJED C=CCCCNc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 742264298 XUDHOIDBNOWUSS-AWEZNQCLSA-N 304.434 4.650 30 20 DJED CCCCCC[C@@](C)(CC)C(=O)NCc1ccc(C#N)cc1 742524846 UBYQPIBCBLKBBH-LJQANCHMSA-N 300.446 4.561 30 20 DJED CC(C)CC=NNc1nc2cc(C(F)(F)F)ccc2s1 743444773 ULJAIAIXYDQQQN-UHFFFAOYSA-N 301.337 4.759 30 20 DJED CCCCOc1cc(/C=C/C(=O)c2ccsc2)ccc1OC 749101465 GNMHVDXHHKHTTP-FNORWQNLSA-N 316.422 4.832 30 20 DJED C=CCOc1cccc(/C=C/C(=O)c2c[nH]c3cc(F)ccc23)c1 749450588 ASKJGYXNEZKMDD-RMKNXTFCSA-N 321.351 4.768 30 20 DJED C[C@H](C#N)Oc1ccc(CNCc2ccc(C3CCC3)cc2)cc1 755222424 GBWXZMOUDOUERY-MRXNPFEDSA-N 320.436 4.535 30 20 DJED C#CC[C@H](NCc1ccc(-c2ccccc2)o1)c1ccccc1 756998113 RBDLNQUSZUNTBM-FQEVSTJZSA-N 301.389 4.801 30 20 DJED C#C[C@@H](C)N(C)C(=S)Nc1c(C(C)C)cccc1C(C)C 766524559 ILMOLMHFSJVVRA-CQSZACIVSA-N 302.487 4.584 30 20 DJED COc1ccccc1-c1ccc(/C=C\C(=O)c2cncs2)cc1 787170742 BBFVMRQWEMUQBW-FLIBITNWSA-N 321.401 4.715 30 20 DJED Cc1c(C(=O)/C=C/c2cccc(Cl)c2F)cnn1C(C)(C)C 787185839 JIDYOSYGMRMKNJ-CMDGGOBGSA-N 320.795 4.635 30 20 DJED CCc1cccc2c(/C=C3\Cc4nc(Cl)ccc4C3=O)c[nH]c12 806576826 IGZVXPXKTXEJID-XYOKQWHBSA-N 322.795 4.601 30 20 DJED CCCCCCCCC(=O)N1CC(C)(C)[C@@H]1c1cccnc1 814134648 MSDGGTXDUGQSKO-SFHVURJKSA-N 302.462 4.742 30 20 DJED COc1cccc(/C=C\C(=O)c2cccc(C)c2)c1OC(C)C 916153623 YLDQDDWSJCINRS-QXMHVHEDSA-N 310.393 4.687 30 20 DJED C=CCN(C(=O)Nc1ccc(-c2ccccc2)cc1F)C(C)C 916708282 ROGZHCHUGFQZRO-UHFFFAOYSA-N 312.388 4.921 30 20 DJED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(C(C)(C)O)cc1 925602574 WKLUBYGJGJPTGQ-JXFKEZNVSA-N 322.452 4.610 30 20 DJED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1coc2ccccc12 926314924 JAPJISDBOXNROM-DJJJIMSYSA-N 302.377 4.643 30 20 DJED Cc1ccc(-c2ccsc2C(=O)O[C@H]2CC[C@H](C#N)C2)cc1 1122718319 WEUKRTRUBYAUSI-ZFWWWQNUSA-N 311.406 4.573 30 20 DJED C[C@H]1C[C@H](CC(=O)N(CCC#N)CC(C)(C)C)CC(C)(C)C1 1125955324 KWGXVZFAKXMXFL-JKSUJKDBSA-N 306.494 4.627 30 20 DJED CCc1cccc2cc(CNc3ccccc3O[C@@H](C)C#N)oc12 1178286420 ZQDLXLPRJJHYJR-AWEZNQCLSA-N 320.392 4.898 30 20 DJED CC1(C)CCC(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 1191156422 LBEARDAEKFBENS-UXHICEINSA-N 310.485 4.975 30 20 DJED CC(C)CN(CCC1(C#N)CCCCC1)c1cccc(O)c1 1191307388 WFIPMOSBJSHXHF-UHFFFAOYSA-N 300.446 4.719 30 20 DJED CC1(C)CN(CCc2ccc(C#N)cc2)c2cccc(Cl)c21 1192044072 ZUCAVEYINVRVGM-UHFFFAOYSA-N 310.828 4.552 30 20 DJED C[C@H]1CCCN(C(=O)Nc2cccc(CC#N)c2)c2ccccc21 1218103267 IDIYDRZFLZBGEF-HNNXBMFYSA-N 319.408 4.688 30 20 DJED C[C@@H]1CCSCCN1Cc1ccc(-c2ccccc2C#N)cc1 1307739518 AUHJKSQSCAWDAY-MRXNPFEDSA-N 322.477 4.553 30 20 DJED CC[C@H](C)c1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)cc1 1457188379 AKOFDZMTBQHBHS-LSDHHAIUSA-N 307.393 4.990 30 20 DJED Cc1cc(CN[C@H](C)c2ccc3c(c2)CCCC3)ccc1C#N 1461421830 ZGLLMORMSLYKAQ-MRXNPFEDSA-N 304.437 4.596 30 20 DJED N#Cc1cc(CN2CCC[C@@H]2CC2CCCCC2)ccc1F 1473132356 XQDSJRBSUMOKSA-GOSISDBHSA-N 300.421 4.632 30 20 DJED C[C@H](OC(=O)[C@@H]1CCC[C@H]1c1ccccc1)c1cccc(C#N)c1 1518199340 QMWFVTJRMHCJKY-RYGJVYDSSA-N 319.404 4.746 30 20 DJED C[C@@H]1CC[C@H](CC(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1524040872 VMYVJZALBGPWJQ-NEPJUHHUSA-N 304.459 4.682 30 20 DJED N#C[C@H]1CCC[C@H](OC(=O)C2=C(c3ccccc3)CCCC2)C1 1528082421 XZOJRISWHXZJCU-RDJZCZTQSA-N 309.409 4.640 30 20 DJED N#Cc1sc(NC[C@@H]2CCC[C@@H]2c2ccccc2)nc1Cl 1639960569 WNAGYKVSVXWHEV-QWHCGFSZSA-N 317.845 4.664 30 20 DJED CC(C)(C)Sc1ccc(Nc2cccc(C#N)n2)cc1F 1642725168 MSBNTJSTUGCGNM-UHFFFAOYSA-N 301.390 4.727 30 20 DJED CC(C)c1ccc2ncnc(N[C@H](C)c3cccc(C#N)c3)c2c1 1651409083 LMBMWKTUYAHNAP-CQSZACIVSA-N 316.408 4.798 30 20 DJED C[C@H](CC1CCCCC1)Nc1nc(C(F)(F)F)ccc1C#N 1651798484 XBYIAEDFTLUYJN-LLVKDONJSA-N 311.351 4.743 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C/C=C/c1ccc(Cl)cc1 1653973120 WFPYPQFBXHIBHU-DRDHIDPGSA-N 310.828 4.918 30 20 DJED Cc1cccc(C)c1COc1cc(C#N)ccc1Br 1656797845 INDFJHCWOIGEBB-UHFFFAOYSA-N 316.198 4.517 30 20 DJED COc1cc2ccccc2cc1CNc1cc(C)cc(C#N)c1 1658122616 IMRDSCJNHXHPNJ-UHFFFAOYSA-N 302.377 4.641 30 20 DJED N#CC1(CCN[C@@H]2CCC[C@@H]2Cc2ccccc2)CCCCC1 1658292407 MQQOHOHPIOANHM-WOJBJXKFSA-N 310.485 4.852 30 20 DJED C[C@H](Cc1ccc2c(c1)CCCC2)N[C@H](C)c1cccc(C#N)c1 1660695287 IACAHNYXWJDZNH-IAGOWNOFSA-N 318.464 4.719 30 20 DJED CC(C)c1ccc(C(=O)/C=C/c2ccc(/C=C/C(=O)O)cc2)cc1 1776370493 PNRSHZVFDQEXNW-FNCQTZNRSA-N 320.388 4.804 30 20 DJED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(Cl)cc1 65984877 BGONBKQZBULIDG-UHFFFAOYSA-N 314.816 4.603 30 20 DJED CCC(CC)NC(=O)c1ccccc1Sc1ccccc1C#N 67849347 MTAIDVOFFCLOTP-UHFFFAOYSA-N 324.449 4.628 30 20 DJED N#Cc1cccc(COc2cc(Br)ccc2Cl)c1 70194703 LMXHUXGEAJGYOF-UHFFFAOYSA-N 322.589 4.553 30 20 DJED O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1cccc2ccccc12 101418364 ULXFPRZPPXRAJX-QXMHVHEDSA-N 303.317 4.644 30 20 DJED CCc1cccc2c(C3CCN(CCCCC#N)CC3)c[nH]c12 102397759 BOOKCRTXNXWIOE-UHFFFAOYSA-N 309.457 4.604 30 20 DJED CCC[C@@H](CC)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 109028032 SSQSRLSVMDTMQM-UONOGXRCSA-N 319.474 4.781 30 20 DJED Cc1nnc(S[C@H](C#N)C2CCCCC2)n1C1CCCCC1 115184697 MXTXNIRIVXUWQE-MRXNPFEDSA-N 318.490 4.656 30 20 DJED C=C[C@@H](CC(=O)N(C)Cc1ccc(Cl)s1)c1ccccc1 123568818 GFGGKXJLFHTRGX-ZDUSSCGKSA-N 319.857 4.720 30 20 DJED Cc1ccc(NC(=O)C(C)(C)C)cc1NCCCC(C)(C)C#N 153976868 XOHBRHWXALKOLC-UHFFFAOYSA-N 315.461 4.722 30 20 DJED C[C@@H](NCc1ccc(OCC#N)cc1)c1cc2ccccc2s1 184367995 VAZAAVYWNUPDTJ-CQSZACIVSA-N 322.433 4.654 30 20 DJED C[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 193047979 ORIXSESBFZHUSM-HNNXBMFYSA-N 321.424 4.713 30 20 DJED C=CCC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(C(F)(F)F)cc1 442820165 ARPJBILHSFSAIH-XYPHTWIQSA-N 322.374 4.995 30 20 DJED COc1ccc2c(c1)C(C)(C)C[C@H]2N[C@@H](C)c1ccc(C#N)cc1 474056672 LSIDVFCIERRLFI-VBKZILBWSA-N 320.436 4.640 30 20 DJED CCc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1C 476526807 QTWLRSJIJMLBJU-SFHVURJKSA-N 306.409 4.584 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(OCCC)c(Cl)c1 488344607 HVYVUNCMWKTEFX-CQSZACIVSA-N 322.836 4.701 30 20 DJED C=CCC[C@H](C(=O)Nc1cccc(C#N)c1C)c1ccccc1 489725382 AENOHLNBLCSALP-SFHVURJKSA-N 304.393 4.555 30 20 DJED CCOC1CC(COc2ccc(Oc3ccc(C#N)cc3)cc2)C1 505531639 DYGPGRLKGYTYCI-UHFFFAOYSA-N 323.392 4.544 30 20 DJED Cc1c(CN2CCC(C)(C#N)CC2)sc2c(Cl)cccc12 512339215 RGWWDLIERJTJHQ-UHFFFAOYSA-N 318.873 4.989 30 20 DJED CCN(C(=O)C[C@H](C)CC(C)C)[C@H](C)c1ccc(C#N)cc1 524244404 YOHPHGILYHUHSS-HZPDHXFCSA-N 300.446 4.540 30 20 DJED C=CC[C@H](C)[C@@H](C)Nc1cccc2c1CN(c1ccccn1)C2 538592114 LDKMEJCJYDBYQB-JKSUJKDBSA-N 307.441 4.614 30 20 DJED C=CCC[C@@H](N[C@H]1CCSC1)c1ccc(C(F)(F)F)cc1 541555446 FCQRNQJJEOTBPY-LSDHHAIUSA-N 315.404 4.808 30 20 DJED N#CCc1ccc(CNc2ccccc2N2CCCCCC2)cc1 542235768 MPKWPENPKGIWAT-UHFFFAOYSA-N 319.452 4.745 30 20 DJED N#Cc1ccc(Cl)c(C(=O)N(c2ccccc2)C2CCCC2)c1 572755983 NZJZNNSATOGZEO-UHFFFAOYSA-N 324.811 4.801 30 20 DJED C[C@H](NC(=O)c1ccc(C2=CCCC2)cc1)c1cccc(C#N)c1 589437693 AWWHHIIZYIXLMN-HNNXBMFYSA-N 316.404 4.617 30 20 DJED CCC[C@@H](C#N)NC(=O)CCCCc1ccc(C(C)(C)C)cc1 608879790 WNBWHTQOVQCKRR-SFHVURJKSA-N 314.473 4.505 30 20 DJED CCC[C@H]1CCCC[C@@H]1NCc1cccc(OCCCC#N)c1 609122317 BYNHIRJVQKTDDX-ICSRJNTNSA-N 314.473 4.818 30 20 DJED Cc1cc(C#N)ccc1CN[C@@H](C)c1cccc2ccccc12 614407187 HPLBQEXFSKXTCB-INIZCTEOSA-N 300.405 4.871 30 20 DJED Cc1cccc(-c2nnc(S[C@H](C)c3cccc(C#N)c3)o2)c1 615436156 YBESNNPGCBAMDS-CYBMUJFWSA-N 321.405 4.770 30 20 DJED CCC/C=C\C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 729345739 ROMXDNLQRWRKTH-PLNGDYQASA-N 306.365 4.645 30 20 DJED Oc1ccc2ccccc2c1/C=N\C[C@H]1CCOc2ccccc21 731156030 YUGLOPLVZOIPCJ-LRSOKBAUSA-N 317.388 4.531 30 20 DJED CC(=NNc1ccc2ccccc2n1)c1cnc2ccsc2c1 739399943 KGLIMVQNTVEIII-UHFFFAOYSA-N 318.405 4.681 30 20 DJED COc1cccc(/C=C2/C(=O)c3ccsc3S[C@H]2C)c1 742437486 UUVVYYZYHPDRFZ-RSYJBZMQSA-N 302.420 4.517 30 20 DJED Cc1cccc(NN=Cc2ccc(Br)cc2Cl)c1 743418140 VFEFZXYULJEJRG-UHFFFAOYSA-N 323.621 4.857 30 20 DJED Cc1ccccc1C1CC(=NNc2nc3ccccc3s2)C1 743419201 PPQCBXQESQRSKB-UHFFFAOYSA-N 307.422 4.950 30 20 DJED CC(C)COc1ccc(C(=O)/C=C\c2cc(C#N)cs2)cc1 748440984 UFQDOUJIHMRKOI-FPLPWBNLSA-N 311.406 4.551 30 20 DJED CCCCCCCNc1cc(C[S@@](C)=O)ccc1Cl 749273832 VNTNDWICSFIPQR-LJQANCHMSA-N 301.883 4.601 30 20 DJED FC(F)Sc1ccc2c(c1)CCCC2=NNc1ccccn1 750921305 GKCZNBFAGQEAGE-UHFFFAOYSA-N 319.380 4.549 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccc(OC(F)F)c(F)c2)s1 754686085 SGCLCVBOEIWJGH-HWKANZROSA-N 312.312 4.693 30 20 DJED CCC(=NNc1nc2ccccc2[nH]1)c1c(F)cccc1Cl 767748378 FZVJHBQUXIRVPG-UHFFFAOYSA-N 316.767 4.582 30 20 DJED CC(=NOCCC(F)(F)F)[C@H](C)c1nc2ccccc2s1 777456439 ZFLSHJBZLHQFOM-VIFPVBQESA-N 316.348 4.745 30 20 DJED CCn1nc(C)c(/C=C\C(=O)c2cc3ccccc3s2)c1C 780189351 XZTLDPVZJUJQEI-KTKRTIGZSA-N 310.422 4.631 30 20 DJED Fc1cccc(C2CC(=NNc3ccc(OC(F)F)cc3)C2)c1 781591583 LELBYCRNJKYUOQ-UHFFFAOYSA-N 320.314 4.773 30 20 DJED C=C(C)[C@@H](NC(=S)Nc1ccsc1)c1ccc(F)c(F)c1 790328266 QQJLITYICGMVDF-CQSZACIVSA-N 324.421 4.630 30 20 DJED Cc1cc(C(=O)/C=C\c2ccsc2)sc1Br 794731675 COQZCKXTLVMXDT-IHWYPQMZSA-N 313.241 4.777 30 20 DJED COc1ccc(N[C@@H]2CCCCc3cc(C#N)ccc32)cc1F 795813691 YVJJMYLMDDKUKX-GOSISDBHSA-N 310.372 4.586 30 20 DJED C=CCC[C@@H](Nc1ccc(OCC)c(OC)c1)c1ccco1 796897536 PYFNSBIAVFHFHS-OAHLLOKOSA-N 301.386 4.806 30 20 DJED CC(/C=C/C(=O)c1cc2c(C)nn(C)c2s1)=C\c1ccccc1 806579012 RPOJWAQULXWFHY-SNMPHBPQSA-N 322.433 4.786 30 20 DJED C#C[C@@H](NCc1ccc(SC)s1)c1ccc(Cl)cc1 811517621 XVEACCDFLXPPKT-CQSZACIVSA-N 307.871 4.588 30 20 DJED N#C[C@@H]1CC[C@H](N[C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)C1 927063709 DBBGHQIFBQGSPZ-GRVMKYMCSA-N 318.420 4.533 30 20 DJED O=C(/C=C\c1ccc(N2CCCC2)cc1)c1c[nH]c2ccccc12 1115843427 HXMCPHONPQVSCC-XFXZXTDPSA-N 316.404 4.664 30 20 DJED CC(C)CC(CC(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 1124299389 RUWFLIXUMFEKSF-UHFFFAOYSA-N 306.837 4.859 30 20 DJED Cc1ccc(N(CCC#N)C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)cc1 1136505982 YULGHNPWLPNYJR-MISYRCLQSA-N 324.468 4.848 30 20 DJED Cc1ccc2ncc(C#N)c(OCc3ccc(Cl)cc3)c2c1 1166235813 UXXYTKRRBKPHKS-UHFFFAOYSA-N 308.768 4.647 30 20 DJED N#Cc1sc(NC2CCC3(CCCCC3)CC2)nc1Cl 1186121466 ODFCXACZNAXPQV-UHFFFAOYSA-N 309.866 4.973 30 20 DJED COc1ccc(C#N)cc1CSc1ccc(Cl)c(F)c1 1189684875 WNRGAWLZSSLQEV-UHFFFAOYSA-N 307.777 4.652 30 20 DJED C=C(C)CCc1noc(-c2nc(-c3ccccc3)oc2C2CC2)n1 1321833624 ONJOQFSKDCXBSV-UHFFFAOYSA-N 321.380 4.778 30 20 DJED Cc1csc(NC(=O)c2ccc(-c3ccccc3)s2)c1C#N 1324182304 SRMWDGLACKNDET-UHFFFAOYSA-N 324.430 4.909 30 20 DJED Cc1cccc2sc(C(=O)O[C@@H]3CC[C@H](C#N)C3)c(Cl)c12 1344605260 PCUIQJMKXAGIAV-WDEREUQCSA-N 319.813 4.712 30 20 DJED CC[C@H](CC1CCCC1)C(=O)Nc1cc(C#N)cn1C(C)(C)C 1356481283 HPTFCFGBOCJVLT-MRXNPFEDSA-N 315.461 4.660 30 20 DJED C[C@H]1CC[C@@H](C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 1359977381 MVAIGQSCETUKSZ-GOEBONIOSA-N 320.392 4.725 30 20 DJED C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1360912673 YJMUZCHDVSJQAD-VXGBXAGGSA-N 324.346 4.732 30 20 DJED Cc1cc(CN2CCc3cc(C(C)(C)C)ccc32)ccc1C#N 1462138987 MCKJDRNEBVEOMU-UHFFFAOYSA-N 304.437 4.727 30 20 DJED Cc1cc(CN[C@@H](C)CC(C)(C)c2ccccc2)ccc1C#N 1473967494 JDNZFRDIFFOFJT-KRWDZBQOSA-N 306.453 4.713 30 20 DJED Cc1cocc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 1530544853 KHHWEIPBOBVWOM-UHFFFAOYSA-N 318.332 4.504 30 20 DJED N#C[C@H]1CCCN(Cc2cccc(SCc3ccccc3)c2)C1 1560130252 NYLSPZNISOAXRR-LJQANCHMSA-N 322.477 4.714 30 20 DJED Cc1ccc(CNCC(C)(C)CCC#N)c(OCCC(C)C)c1 1560371989 RPQSXXZKXYDFCZ-UHFFFAOYSA-N 316.489 4.840 30 20 DJED Cc1cc(CN2CCC(CCc3ccccc3)CC2)ccc1C#N 1561010654 USQURQAZBOEKHI-UHFFFAOYSA-N 318.464 4.712 30 20 DJED N#Cc1cc(NC(=O)C2CCCCC2)ccc1Oc1ccccc1 1585707823 JOPAJGXSKQQOBU-UHFFFAOYSA-N 320.392 4.869 30 20 DJED CCCC[C@@H](CC)CCCN(C)C(=O)c1ccc(C#N)s1 1586673566 QWCRXQZZSFSQRX-CQSZACIVSA-N 306.475 4.688 30 20 DJED CC[C@@H](CC(=O)Nc1scc(C(C)(C)C)c1C#N)C(C)C 1595897633 LLIVEAOKUTZAIW-LBPRGKRZSA-N 306.475 4.928 30 20 DJED Cc1cccc(C)c1CN(CC(C)C)c1cccc(F)c1C#N 1612523000 LICWKXXKFGLJKS-UHFFFAOYSA-N 310.416 4.977 30 20 DJED N#Cc1cccc(Nc2cccc(CSC3CCCC3)c2)n1 1650772244 PQKZPPNSEAYGND-UHFFFAOYSA-N 309.438 4.873 30 20 DJED C[C@@H](CCc1ccc(F)cc1)N[C@@H]1CCCc2cc(C#N)ccc21 1652684683 NPBKVMTUYUAQEV-YCRPNKLZSA-N 322.427 4.686 30 20 DJED CCc1ccc([C@H]2CCCN(CCc3ccc(C#N)cc3)C2)cc1 1654379789 PJHKUHFGDQDUPW-QFIPXVFZSA-N 318.464 4.543 30 20 DJED CC(C)c1cccc2c1N(Cc1ccc(F)cc1C#N)CCC2 1659023886 GZYMZKXBTDYVOD-UHFFFAOYSA-N 308.400 4.774 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCC(C)(C)C(F)(F)CC 1776782413 WUMQXZDSJYQSHB-AWEZNQCLSA-N 321.452 4.851 30 20 DJED CCOc1ccc(/C=C\C(=O)c2ccc(C)c(C)c2)cc1OC 33466862 TYHXTVGEILTEFV-YFHOEESVSA-N 310.393 4.607 30 20 DJED C[C@@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1ccc(C#N)cc1 36991802 CEBDSASUVWPUMX-VXGBXAGGSA-N 302.780 4.763 30 20 DJED COc1ccccc1/C=C/C(=O)c1sc(C(C)(C)C)nc1C 46882367 RERGZFXUKGWFPN-ZHACJKMWSA-N 315.438 4.654 30 20 DJED CCN(CCC#N)C(=O)Nc1ccc(Oc2ccccc2)cc1C 78580947 AUQPADWTFUXZHO-UHFFFAOYSA-N 323.396 4.555 30 20 DJED C=CCC(CC=C)C(=O)O[C@H](c1ccccc1)c1nccs1 91775819 QDEFZKKCYKQDQA-MRXNPFEDSA-N 313.422 4.544 30 20 DJED CC(C)(C)CN(CCC#N)Cc1csc(-c2ccsc2)n1 111250419 IOEJKPGATGJQOZ-UHFFFAOYSA-N 319.499 4.633 30 20 DJED C[C@H](C#N)CSc1ccccc1NC/C(Cl)=C/Cl 127926716 NQILJANOVSPQRA-CHPNCVJKSA-N 301.242 4.669 30 20 DJED CCCCCCCCC(=O)Nc1cc(-c2nnco2)ccc1C 130918601 BLUYEZVHGMPRGL-UHFFFAOYSA-N 315.417 4.734 30 20 DJED C=CCC(CC=C)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 151228234 UPPWYHDISXNWLJ-INIZCTEOSA-N 322.433 4.755 30 20 DJED C[C@@H](N[C@H](C)c1c(F)cccc1Cl)c1ccc(C#N)cc1 175026278 UKPKMSAFAFOSHK-VXGBXAGGSA-N 302.780 4.763 30 20 DJED C[C@@H](NCc1cc(C#N)cs1)c1cccc(Cl)c1Cl 177703360 BQAUPHRMFUDCBT-SECBINFHSA-N 311.237 4.777 30 20 DJED CCCCC[C@H](C)CC(=O)Nc1ccccc1O[C@H](C)C#N 182058867 ZYXNAXCYNYDHDY-LSDHHAIUSA-N 302.418 4.522 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1coc2cc(C)c(C)cc12 189908787 OLBBODAYVZFUGX-UHFFFAOYSA-N 312.413 4.594 30 20 DJED CCc1ccc([C@H](NCc2ccc(OCC#N)cc2)C(C)C)cc1 194812371 XBYDZNZYFGMUPH-OAQYLSRUSA-N 322.452 4.638 30 20 DJED O=C(/C=C\c1ccccc1Br)c1ccc(F)cc1F 212510428 QQOLQDNOZQHVOM-YVMONPNESA-N 323.136 4.623 30 20 DJED Cc1nc(CON=Cc2cccc(Cl)c2Cl)sc1C 255395879 ZXOJVDIAFGLNKR-UHFFFAOYSA-N 315.225 4.617 30 20 DJED CCCCCCCC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 303856526 OHWYAXIRUHAMBK-RDJZCZTQSA-N 305.437 4.891 30 20 DJED C[C@H](NC(=O)c1cc(C#N)ccc1Cl)c1ccc(C2CC2)cc1 416076852 IDBQOTKMBRTPEC-LBPRGKRZSA-N 324.811 4.580 30 20 DJED C=C(C)C(C)(C)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 424696961 AOGIGFMCPNLGAY-HNNXBMFYSA-N 308.425 4.528 30 20 DJED C=C(C)C(C)(C)C(=O)N1CC=C(c2cccc(Cl)c2)CC1 424812943 OPSSOGMLPVAEAM-UHFFFAOYSA-N 303.833 4.558 30 20 DJED C=CCC[C@H](C(=O)N1CC2(CCC2)[C@H]1C1CC1)c1ccccc1 427597718 XOMCPWNCRJRKSD-RBUKOAKNSA-N 309.453 4.528 30 20 DJED C[C@H](Sc1ccccc1)c1ccc(NC(=O)[C@H](C)C#N)cc1 439016041 WJXDAUWEUSDPIS-KGLIPLIRSA-N 310.422 4.638 30 20 DJED N#CC1CCC(CNCc2ccc(-c3ccccc3)cc2F)CC1 441388512 ZUBRRHOWWLJGSF-UHFFFAOYSA-N 322.427 4.912 30 20 DJED C[C@H]1SCCN(CCCCC(C)(C)C#N)[C@H]1c1ccccc1 444651394 GIOFJZFCPATJID-SJLPKXTDSA-N 316.514 4.885 30 20 DJED CC1(C#N)CCC(NCCCCCOC2CCCCC2)CC1 449127035 VNLZJLBKSCCQIS-UHFFFAOYSA-N 306.494 4.568 30 20 DJED CCOc1ccc(C(F)(F)F)cc1N[C@@H]1CCC[C@@H](C#N)C1 463298156 BCJKZYGEKYFQRO-DGCLKSJQSA-N 312.335 4.598 30 20 DJED N#Cc1cccc(CN[C@H]2CCCc3c2sc2ccccc32)c1 480811143 HAXGXWBUIDNXKK-SFHVURJKSA-N 318.445 4.940 30 20 DJED C=CCSc1ccccc1C(=O)Nc1ccc2[nH]ccc2c1 486115528 DGTIRIXOOWJLQX-UHFFFAOYSA-N 308.406 4.698 30 20 DJED C=C(C)CN(CC)C(=O)N[C@H](CC(C)C)c1ccccc1C 491110881 LVNMGNCIERIEDO-GOSISDBHSA-N 302.462 4.690 30 20 DJED N#Cc1ccc(CN2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)cc1F 502786785 CJQOLCRKGDZVPY-WOJBJXKFSA-N 318.395 4.518 30 20 DJED C=CCC(C)(C)C(=O)N1CCC(F)(c2cccc(Cl)c2)CC1 512425900 CZAUPAJVHYUOPM-UHFFFAOYSA-N 323.839 4.730 30 20 DJED C=CC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 517658707 PSEODERKJJFNDE-HUUCEWRRSA-N 324.251 4.522 30 20 DJED C=CCCOCCCCc1nc([C@@H]2CCCC(C)(C)C2)no1 533848113 CLBDVCGFKOOYIL-OAHLLOKOSA-N 306.450 4.669 30 20 DJED C[C@@H](CCNCc1cccc(OCCCC#N)c1)c1ccccc1 545961451 RFGNZNCQHLPOSF-SFHVURJKSA-N 322.452 4.653 30 20 DJED Cc1ccccc1[C@@H](C)c1noc(/C=C\c2ccc(C#N)cc2)n1 546543716 KGZNMLVUJALFHK-QYMJWVLRSA-N 315.376 4.572 30 20 DJED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cc(F)ccc1F 552969308 LSVLGQPOTVTIIY-BLVKFPJESA-N 312.363 4.565 30 20 DJED C=CCCO[C@@H](C)c1nc(C(C)(C)c2ccc(Cl)cc2)no1 554852156 ZKOUTMMYPSTLKU-LBPRGKRZSA-N 320.820 4.703 30 20 DJED CCCN(Cc1ccc(C#N)cn1)[C@@H](C)c1cc2ccccc2o1 567483224 QDRYHXQZNJQBAQ-HNNXBMFYSA-N 319.408 4.673 30 20 DJED N#CCc1ccccc1NC(=O)c1ccc2c(c1)Cc1ccccc1-2 573312692 OIJCEXOUXYEWLD-UHFFFAOYSA-N 324.383 4.576 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1ccc2oc(C(C)C)nc2c1 575732386 CCZBTMAMVAYRFA-AWEZNQCLSA-N 313.401 4.524 30 20 DJED C=CCC[C@H](NCc1ccccc1N(C)C(C)C)c1ccco1 576048822 SBJZNUGNGWDGRP-SFHVURJKSA-N 312.457 4.921 30 20 DJED N#C[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)C1 576602166 XOAVVJHSYBXGSW-VJUNAUMWSA-N 322.374 4.623 30 20 DJED CC(C)(CC#N)CSc1nnc(-c2ccc3ccccc3c2)o1 581083489 TXCLRHWNZHLBRC-UHFFFAOYSA-N 323.421 4.922 30 20 DJED Cc1nc(-c2cccc(NC(=O)CCCCCC#N)c2)cs1 588147814 XAKWKTBHCGAFQS-UHFFFAOYSA-N 313.426 4.531 30 20 DJED C[C@H](Nc1ncc(-c2ccccc2)s1)c1cccc(C#N)c1 610541730 AWFJWYXBZJXNJR-ZDUSSCGKSA-N 305.406 4.855 30 20 DJED CCCOc1ccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 610830522 YMUANXROHOXTRQ-HOTGVXAUSA-N 308.425 4.759 30 20 DJED C=CCN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 611809629 CKXBRKWIDSODHA-UONOGXRCSA-N 311.347 4.574 30 20 DJED C=CC[C@@H]1CCCN(C(=O)Nc2c(C)cc(C)cc2Cl)C1 665193604 DRJXYNUHONWFAO-CQSZACIVSA-N 306.837 4.777 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1ccc(C2CC2)cc1 678560127 FAIIHPACGONWKP-UHFFFAOYSA-N 312.438 4.846 30 20 DJED Fc1cc(C=NNc2ccc(OC(F)F)cc2)ccc1Cl 726426972 ONTNNUUKTDHTQQ-UHFFFAOYSA-N 314.694 4.527 30 20 DJED Cc1cccc2c1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O 729151732 WWUWFRXPQDVCNF-UKTHLTGXSA-N 302.295 4.836 30 20 DJED Cc1ccc([C@H]2CCCC2=NNc2oc(C(C)C)nc2C#N)cc1 741839419 GRVSUKOZDMWWEV-OAHLLOKOSA-N 322.412 4.714 30 20 DJED C[C@@H](Nc1cccc(N2CCCCC2)c1)c1ccc(C#N)cc1 743472153 KPQFETABSNPGFO-MRXNPFEDSA-N 305.425 4.722 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)s1 748994318 MHBXVNKUCQNQOA-XQRVVYSFSA-N 308.189 4.823 30 20 DJED CCCCCC[C@@H](C)C(=O)N[C@H](CCC#N)c1ccccc1 749035748 ROSCJKGJUFPBSG-SJLPKXTDSA-N 300.446 4.754 30 20 DJED O=C(/C=C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1Cl 750900393 NSFLNXMKDZVDOQ-CAOUKYIASA-N 313.740 4.701 30 20 DJED CCCCCC[C@H](C)NN=Cc1c(C2CC2)nc2sccn12 755754956 VEJPJFNCQGRVOW-ZDUSSCGKSA-N 318.490 4.556 30 20 DJED CCCCCCCC(=O)Nc1cc2c(cc1Cl)CCC2=O 760017244 QYHZQJWCPANXMR-UHFFFAOYSA-N 307.821 4.768 30 20 DJED O=C(/C=C/c1nc2c(s1)CCCC2)c1coc2ccccc12 776266899 UNWBIAKWZDKVKM-MDZDMXLPSA-N 309.390 4.664 30 20 DJED C[C@H](Nc1ccc(CC(F)(F)F)cc1)c1ccc(C#N)c(F)c1 777072466 XIDCUIYPAUWWEO-NSHDSACASA-N 322.305 4.975 30 20 DJED C=CCCN(OCc1ccccc1)C(=O)Nc1ccccc1C 782668724 PHIROHZGZTZTIM-UHFFFAOYSA-N 310.397 4.537 30 20 DJED CC(=NNc1ccc2ccccc2n1)c1csc(Cl)c1 787147990 QUSGPMHKCPFFSN-UHFFFAOYSA-N 301.802 4.786 30 20 DJED CC(C)(C#N)CCCC[S@](=O)[C@H]1CCc2cc(Cl)ccc21 794789751 PWXVEQNCMWBWRV-KKSFZXQISA-N 323.889 4.796 30 20 DJED CC1(CC(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)CCCCC1 797569569 SKBSNNQSMGPJKL-ZDUSSCGKSA-N 318.486 4.977 30 20 DJED CC(C)(CCC#N)COC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 798878320 ROVFJTMOLPKTAC-OALUTQOASA-N 321.420 4.816 30 20 DJED C[C@@H](C#N)OCCS[C@@H](C)c1cc(Cl)ccc1Cl 802750960 FJTDMDFXPCGTAY-UWVGGRQHSA-N 304.242 4.716 30 20 DJED Cc1nc(NC(=O)CCCCCC#N)sc1-c1ccccc1 806436291 ONJPBYRHRFTPKS-UHFFFAOYSA-N 313.426 4.531 30 20 DJED CC(C)c1c(Cl)ncnc1NN=C1CC(c2ccccc2)C1 814922310 CKYQDGHTSFIQMG-UHFFFAOYSA-N 314.820 4.599 30 20 DJED C[C@H](CC(C)(C)C#N)OC(=O)C[C@@H](C)c1c[nH]c2ccccc12 851205711 IVWALOAWKPSSQQ-ZIAGYGMSSA-N 312.413 4.533 30 20 DJED CCC[C@@H](C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915179277 BUVRMBCDUWWDMF-DNVCBOLYSA-N 306.409 4.717 30 20 DJED CCCCCCCCC(=O)NCc1ncc(-c2ccccc2)o1 915642191 BRHXONZJZCGPNF-UHFFFAOYSA-N 314.429 4.708 30 20 DJED CC(=NNc1ccc(C#N)cc1)c1cc(Cl)sc1Cl 915963235 WVYIVIOCRGDOOZ-UHFFFAOYSA-N 310.209 4.763 30 20 DJED C=CCN(Cc1cccs1)C(=O)/C=C/c1ccc(Cl)cc1 917525170 PCEMFUXXMJUSJK-JXMROGBWSA-N 317.841 4.630 30 20 DJED C/C=C/C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 917876603 MYSJBELQJDRTEH-NSCUHMNNSA-N 312.756 4.519 30 20 DJED Cc1nn(C)c(C)c1C(=O)/C=C\c1ccccc1-c1ccccc1 920832694 QMEMZMZKYIEEHD-YPKPFQOOSA-N 316.404 4.600 30 20 DJED Cc1cc(C)c(C#N)c(SCc2cccc(C(F)(F)F)c2)n1 1164515590 YLOWXWKEQYKMMG-UHFFFAOYSA-N 322.355 4.881 30 20 DJED Cc1cc(CNC[C@H](C)Oc2ccc(C(C)C)cc2)ccc1C#N 1178689345 WJLNTLMHWNKCPA-KRWDZBQOSA-N 322.452 4.547 30 20 DJED Cc1cccc([C@H](NC(=O)c2ccc(C)c(C#N)c2)C(C)(C)C)c1 1351236431 ILUQUNALOWWSJQ-IBGZPJMESA-N 320.436 4.692 30 20 DJED CCCC[C@H](CC)C(=O)N(CC(C)C)c1ccc(C#N)cc1 1355419934 JPSRIAILWWGNAQ-KRWDZBQOSA-N 300.446 4.764 30 20 DJED CCOc1ccc(C#N)cc1NC(=O)CC1CCC(C)(C)CC1 1357421759 IDYDEOSZCUSECX-UHFFFAOYSA-N 314.429 4.502 30 20 DJED C[C@@]1(c2ccccc2)CCCN(Cc2ccc(C#N)cc2Cl)C1 1459468574 RQCGJCRSJGQGIP-HXUWFJFHSA-N 324.855 4.765 30 20 DJED CC[C@@H](c1ccccc1)N1CC=C(c2ccc(C#N)cc2)CC1 1459883699 QJZHMGGCXIIVGN-NRFANRHFSA-N 302.421 4.799 30 20 DJED Cc1ccc(Cl)cc1C(=O)N(c1ccc(C#N)cc1)C1CCC1 1529862626 HWZUZWQWFSZBGS-UHFFFAOYSA-N 324.811 4.719 30 20 DJED N#CC1(CN(Cc2cccc3ccccc23)C2CCCC2)CC1 1615418291 RUAPPGPDDXPDIF-UHFFFAOYSA-N 304.437 4.888 30 20 DJED N#Cc1ccccc1COc1c(Cl)cccc1Br 1652165236 NLQCRHQEFQSGIE-UHFFFAOYSA-N 322.589 4.553 30 20 DJED Cc1ccc([C@@H]2[C@@H](C)CCCN2Cc2ccc(F)cc2C#N)cc1 1657395014 VBMVRZGXPRNFLB-KKSFZXQISA-N 322.427 4.979 30 20 DJED C[C@@H](Cc1c(Cl)cccc1Cl)NCc1ccc(C#N)cc1 1657695272 BFBOTLRKCIKGBY-LBPRGKRZSA-N 319.235 4.586 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@@](C)(c2ccccc2)CC1 1658617145 XHWWUIKBZFYFRK-JOCHJYFZSA-N 318.464 4.811 30 20 DJED Cc1c(C#N)cccc1NC(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C 1659837963 QHHPUNYMJGYKRC-DOTOQJQBSA-N 313.445 4.545 30 20 DJED N#Cc1ccc(CSCc2coc(-c3ccccc3)n2)c(F)c1 78506051 FIJBCSTWBXNCMY-UHFFFAOYSA-N 324.380 4.786 30 20 DJED CC(C)CCC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 79853456 XXQNMUZBGYZNMJ-NSHDSACASA-N 306.818 4.562 30 20 DJED CCCC(C#N)(CCC)NC(=O)c1cc(Cl)ccc1Cl 106421601 LDXGMQKCLBPKIF-UHFFFAOYSA-N 313.228 4.586 30 20 DJED C[C@H](C#N)Oc1ccccc1NC(=O)CC1CCC(C)(C)CC1 182129745 CYXNSEGMZHJAKX-CQSZACIVSA-N 314.429 4.522 30 20 DJED Cc1oc2ccccc2c1CN[C@H](CCC#N)c1ccccc1 182655542 VVBGABQJBLQNLO-LJQANCHMSA-N 304.393 4.876 30 20 DJED C=C(C)[C@@H](N[C@@H](C)c1cccc(O)c1)c1ccc(F)c(F)c1 194962957 RHGPESJYAQSCJB-KPZWWZAWSA-N 303.352 4.638 30 20 DJED N#Cc1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)s1 230958132 YTVCKRIKUNMGBS-UHFFFAOYSA-N 322.176 4.644 30 20 DJED O=C(/C=C\c1ccsc1)c1cc(Br)ccc1F 255623653 IDTOGQMXWRTWMC-RJRFIUFISA-N 311.175 4.546 30 20 DJED COc1ccc([C@@H]2CCCN2CCCCC(C)(C)C#N)cc1 409447323 DKDORQBCDBRVNY-SFHVURJKSA-N 300.446 4.552 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CC1CCCCCC1 426971280 AYLJJTJOTFBHKB-WOJBJXKFSA-N 324.468 4.645 30 20 DJED C=C(C)CNC(=O)Nc1ccc(O[C@@H](C)c2ccccc2)cc1C 429435449 JCVQJKQZZZQHMK-INIZCTEOSA-N 324.424 4.833 30 20 DJED Cc1ccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc1C 430629686 QNSWWBNSVYRQIU-CQSZACIVSA-N 312.438 4.548 30 20 DJED C=CCC(C)(C)CNC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 432574288 ODWFTDIRWFYVBH-AWEZNQCLSA-N 314.429 4.738 30 20 DJED N#C[C@@H]1CCC[C@@H](N[C@@H](c2cccc(F)c2)C2CCCC2)C1 463247109 UWSANVYQVLVENJ-NIKGAXFTSA-N 300.421 4.729 30 20 DJED C=CCC(CC=C)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 467736008 SSGXOWQLQVNAKW-UHFFFAOYSA-N 323.436 4.575 30 20 DJED CN(CCC1CCCCC1)C(=O)C[C@H](CC#N)c1ccccc1 475532276 YHDKRMGDEKVYCY-IBGZPJMESA-N 312.457 4.503 30 20 DJED CCCCN(C(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1 476288783 FFBJFFAEADSXOZ-IBGZPJMESA-N 320.436 4.907 30 20 DJED N#CCc1ccc(NCc2ccc(-c3cccc(F)c3F)o2)cc1 480637653 CAUWHEKUJSNALT-UHFFFAOYSA-N 324.330 4.903 30 20 DJED C=CCC[C@H](C(=O)Nc1cc(F)c(F)cc1F)c1ccccc1 488363534 FRLKIGBAHDYGNQ-ZDUSSCGKSA-N 319.326 4.792 30 20 DJED CC(C)Oc1ccc(CSc2cc(C#N)ccn2)cc1Cl 488805283 CUHPIVBIWGALIQ-UHFFFAOYSA-N 318.829 4.686 30 20 DJED Cc1cc(C)cc(NCc2cc(C#N)ccc2Br)c1 492770062 KZBXKTVQNOJDOJ-UHFFFAOYSA-N 315.214 4.550 30 20 DJED CO[C@H](c1ccccc1)[C@@H](C)Nc1cccc(OCCCC#N)c1 494628290 BVTDHWGGCNHGNO-UZLBHIALSA-N 324.424 4.557 30 20 DJED CCN(C(=O)c1cc2c(s1)CCCCC2)c1ccc(C#N)cc1 510375020 IIQMXZKBJNCVLF-UHFFFAOYSA-N 324.449 4.555 30 20 DJED CN(CCC1CCCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 513934848 ZTGLALQZAOCQQX-UHFFFAOYSA-N 319.836 4.646 30 20 DJED C=C[C@@H](CC(=O)N(CCCC)CC(F)(F)F)c1ccccc1 536159966 GBPOFRGGNNOCEU-AWEZNQCLSA-N 313.363 4.537 30 20 DJED Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](CCC#N)c1ccccc1 537947335 QXHCWCAMPQNOFA-KXBFYZLASA-N 323.396 4.599 30 20 DJED CCCCSCCC(=O)Nc1cc(C(C)(C)C)sc1C#N 538072492 VAIHIZQWKNYYST-UHFFFAOYSA-N 324.515 4.779 30 20 DJED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccccc1 538649979 MNULXBHUJRTYOC-UHFFFAOYSA-N 314.344 4.603 30 20 DJED C=CC[C@@H](CC)NC(=O)N[C@@H](C)c1cc2ccccc2s1 541782494 OIHGFVDYPQYSFM-GXTWGEPZSA-N 302.443 4.616 30 20 DJED C=C[C@H](CC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1)c1ccccc1 557736132 IUGVHVFHOJUOFR-WAOWUJCRSA-N 319.448 4.956 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 565561233 MGUXUGCEYYBAPO-BRWVUGGUSA-N 304.478 4.524 30 20 DJED CCC[C@H](C)CC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 574007267 CTCBXUHSZGUPAY-AWEZNQCLSA-N 323.396 4.510 30 20 DJED CCCCOc1ccc(NC(=O)CCCCCC#N)c(C)c1 588153315 AKMATEICNZMHNY-UHFFFAOYSA-N 302.418 4.587 30 20 DJED CC[C@@H](CN[C@@H]1CCCc2cc(C#N)ccc21)CC(F)(F)F 591248802 ZOCQKDIRUJIXFP-MLGOLLRUSA-N 310.363 4.504 30 20 DJED CC[C@H](c1ccccc1)N(C(=O)c1cccc(CC#N)c1)C(C)C 598886969 ZFDHOJWPXJJXAS-HXUWFJFHSA-N 320.436 4.755 30 20 DJED C=CCCCCCN(C)C(=O)c1csc(-c2ccccc2)n1 606816891 WCYHAXLKQVEBSF-UHFFFAOYSA-N 314.454 4.629 30 20 DJED Cc1cccc(-c2nnc(S[C@@H](C)c3cccc(C#N)c3)o2)c1 615436157 YBESNNPGCBAMDS-ZDUSSCGKSA-N 321.405 4.770 30 20 DJED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1csc(Cl)c1 618804429 LFTZQBIKSKDPHQ-MEBBXXQBSA-N 302.830 4.611 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1cc(Cl)c(Cl)[nH]1 732662950 PFTGGKQWABIPFT-UHFFFAOYSA-N 315.244 4.530 30 20 DJED CCCCCCCCCCC(=O)N1CCOC[C@@H]1c1ccco1 735024821 IPLHIZSFNOEVHR-QGZVFWFLSA-N 321.461 4.710 30 20 DJED O=C(/C=C\c1ccc(SC(F)(F)F)cc1)c1cncs1 735792718 JGXKXWZSHSPKQA-UTCJRWHESA-N 315.341 4.651 30 20 DJED CC(/C=C/C(=O)c1cc([N+](=O)[O-])ccc1C)=C\c1ccccc1 739425352 OTSJMGNKFOBKJX-RKZGRAQHSA-N 307.349 4.746 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(F)cc2C)cc1Cl 741468915 YOQXHUJVUWOVCA-XVNBXDOJSA-N 304.748 4.692 30 20 DJED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@H](C)CCCCC 742593544 RFUCXQIWNFKQBS-QGZVFWFLSA-N 312.457 4.679 30 20 DJED N#Cc1ccccc1/C=C/C(=O)N1CCCC2(CCCCCC2)C1 742851599 ULYVIDDDBXLBPH-ZHACJKMWSA-N 322.452 4.534 30 20 DJED CCOc1cccc(C(C)=NNc2nc3ccccc3s2)c1 743526889 XJUQPVPWYATGRJ-UHFFFAOYSA-N 311.410 4.531 30 20 DJED Cc1ccc(-c2ccc(/C=C\C(=O)c3cnn(C(C)C)c3)o2)cc1 746687263 UZJPRDUXKSFBMU-NTMALXAHSA-N 320.392 4.929 30 20 DJED CCOc1ccc(Cl)cc1C(=O)/C=C/c1ccc(C#N)s1 749006107 RFNSCOFDPITJAH-VOTSOKGWSA-N 317.797 4.568 30 20 DJED Cc1cnc([C@H](C)/N=C/c2cc(Cl)cc(Cl)c2O)s1 749931231 SGYDXBMWNBWUFJ-IYRRMDOYSA-N 315.225 4.644 30 20 DJED CCCCCCCCC(=O)Nc1cc(F)c(OC)cc1OC 755404855 AANJPEXLOLRLLB-UHFFFAOYSA-N 311.397 4.532 30 20 DJED CCSc1ccc(C(=O)/C=C\c2ccc(O)c(F)c2)cc1 755606310 FAAXGYZPDVPFDN-OQFOIZHKSA-N 302.370 4.539 30 20 DJED C[C@H](CC=NNc1nc(C(F)(F)F)cs1)c1ccccc1 755770950 QBYVCXJNUNMUOO-SNVBAGLBSA-N 313.348 4.753 30 20 DJED C=C(Cl)CN(Cc1ccccc1O)[C@H](C)c1ccccc1 757272674 CSDDMWZXQRIQHR-OAHLLOKOSA-N 301.817 4.708 30 20 DJED CSc1ccc(C(=O)/C=C\c2cnc(Cl)c(C)c2)cc1 760261632 FLJCZPZAZXODJR-BAQGIRSFSA-N 303.814 4.661 30 20 DJED FC(F)(F)CC(=NO[C@@H]1CCCCO1)c1ccc(Cl)cc1 763369965 KMQTVANGEYAKKT-CYBMUJFWSA-N 321.726 4.540 30 20 DJED CCSc1cccc(/C=C/C(=O)c2ccc(C#N)c(F)c2)c1 769746396 IPCKZWROHALFET-RMKNXTFCSA-N 311.381 4.705 30 20 DJED FC(F)Oc1ccc(NN=CCSCc2ccccc2)cc1 774384733 FZTODNCVMLBPME-UHFFFAOYSA-N 322.380 4.619 30 20 DJED CCCCC[C@H](CC)C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 776090454 KJNKXVBGDSJDKP-GJZGRUSLSA-N 311.429 4.654 30 20 DJED Cc1cc(C#N)ccc1CN[C@H](C)c1csc2ccccc12 776800611 RRAQXKZDGQMMMN-CQSZACIVSA-N 306.434 4.932 30 20 DJED C#CCCCCCC(=O)Nc1cc(Cl)c(OC)c(Cl)c1 779897365 VUUPWPZZIIEKNA-UHFFFAOYSA-N 314.212 4.524 30 20 DJED C[C@H](CCc1ccccc1)OC(=O)C[C@H](CC#N)c1ccccc1 795983970 QQUODZUWCQLRNF-XLIONFOSSA-N 321.420 4.638 30 20 DJED COc1cccc(/C=C\C(=O)c2c(F)cccc2Cl)c1F 809159606 SKORQJPYIMRYKP-HJWRWDBZSA-N 308.711 4.523 30 20 DJED COc1ccc(OC)c(C(=O)/C=C/c2csc3ccccc23)c1 810197351 VVQMFSZVWCCFET-VQHVLOKHSA-N 324.401 4.815 30 20 DJED Cc1cc(C(=O)/C=C/c2cscc2C(F)(F)F)oc1C 811690626 FQYJJIMRIUHPTF-ONEGZZNKSA-N 300.301 4.873 30 20 DJED CCCCC[C@@H](C)CC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842942161 WLJSDDUSOIHOAL-OCCSQVGLSA-N 304.459 4.803 30 20 DJED Cc1n[nH]c(C)c1/C=C\C(=O)c1cc2c(ccc3ccccc32)o1 915986204 ZOTFCBJYFFZZMX-HJWRWDBZSA-N 316.360 4.822 30 20 DJED CCCOc1ccc(/C=C2\CCc3ccccc3C2=O)cc1OC 916135928 YSQXKKACGCDQKC-GHRIWEEISA-N 322.404 4.697 30 20 DJED C=C(Cl)CSCc1cccc(C(=O)Nc2ccccc2)c1 917953648 AUIJPIGSUBFQPY-UHFFFAOYSA-N 317.841 4.925 30 20 DJED COc1ccc2cc(/C=C3\Cc4c(F)cccc4C3=O)ccc2c1 921263461 DQFUEMLNKBLMIX-MHWRWJLKSA-N 318.347 4.810 30 20 DJED Cc1ccc([C@@H](CC(F)(F)F)NCc2cc(C#N)cs2)cc1 1201880498 DISFUHMZRLWVPQ-OAHLLOKOSA-N 324.371 4.712 30 20 DJED Cc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(F)c(C#N)c1 1265137473 ZDBXHJZWLQBBTE-IBGZPJMESA-N 324.399 4.523 30 20 DJED CCN(Cc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 1307865499 HSABTTDSQCNOJZ-UHFFFAOYSA-N 304.315 4.604 30 20 DJED Cc1ccc(C#N)cc1NCc1cccc(Oc2ccccn2)c1 1308431051 QASMPFCRSOVNBZ-UHFFFAOYSA-N 315.376 4.666 30 20 DJED CC[C@H]1CC[C@H](C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 1356331895 UQNZJVKNXCZJLE-KOMQPUFPSA-N 314.429 4.500 30 20 DJED CC(C)(C#N)CC(=O)Nc1cccc(-c2ccc(F)c(F)c2)c1 1436257908 WMXUCDSVHWJHAA-UHFFFAOYSA-N 314.335 4.510 30 20 DJED C[C@@H](CN(C)Cc1ccc(Cl)cc1C#N)C1CCCCC1 1473706102 JCXFJYFHTCZGJY-AWEZNQCLSA-N 304.865 4.860 30 20 DJED C[C@@H](CC(C)(C)C#N)Nc1ccccc1O[C@@H](C)C(F)(F)F 1474565287 SPIHRKBDSFSYCD-RYUDHWBXSA-N 314.351 4.756 30 20 DJED C[C@H]1CC(C(=O)Nc2cc(C(C)(C)C)sc2C#N)C[C@H](C)C1 1521111064 RIXFTHSRRQBHHQ-VXGBXAGGSA-N 318.486 4.928 30 20 DJED C[C@H]1CCCc2ccccc2[C@H]1NC(=O)CC1(C#N)CCCCC1 1536543500 UODXPZTZYPIFJD-JXFKEZNVSA-N 324.468 4.680 30 20 DJED CC(C)C(C)(C)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1539410070 QCMOPVFQIWHUQZ-UHFFFAOYSA-N 322.408 4.971 30 20 DJED CC[C@H](NC(=O)Nc1sccc1C#N)c1cc(C)ccc1C 1563024245 BYTPZHKUGKNPOG-HNNXBMFYSA-N 313.426 4.509 30 20 DJED C=C(CNC(=O)N[C@@H]1CCC[C@@H]1CCC(C)C)c1ccccc1 1563924974 MOYKJAYRSJMOGQ-RTBURBONSA-N 314.473 4.604 30 20 DJED N#CC1(C(=O)NCc2ccc(-c3cccs3)cc2)CCCCC1 1585709508 IZMUTVDKVHCZNW-UHFFFAOYSA-N 324.449 4.505 30 20 DJED Cc1cc(C)c(C(=O)Nc2scc(C(C)(C)C)c2C#N)s1 1595897915 UOOWEKBPJSXHFP-UHFFFAOYSA-N 318.467 4.848 30 20 DJED CC1(C)CCC(COc2nc3c(cc2C#N)CCCCC3)CC1 1614861189 LAMYTVPORCVDQK-UHFFFAOYSA-N 312.457 4.817 30 20 DJED C[C@@H](CCC#N)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1 1616691969 RZVQDYNMTZFMFF-LSDHHAIUSA-N 312.388 4.961 30 20 DJED Cc1ccc(C#N)c(NCC2(c3ccccc3)CCCCCC2)n1 1650721814 ZUIBFSXAKNKWPI-UHFFFAOYSA-N 319.452 4.966 30 20 DJED C[C@@H](CCc1ccc(F)cc1)N[C@H]1CCCc2cc(C#N)ccc21 1652684680 NPBKVMTUYUAQEV-BTYIYWSLSA-N 322.427 4.686 30 20 DJED CCC[C@@H](CCc1ccccc1)N[C@H]1CCc2cc(C#N)ccc21 1659091466 IEVFPSGYNUBDQP-UNMCSNQZSA-N 318.464 4.937 30 20 DJED Cc1cc(CN2CC3(CCCC3)[C@H]2c2ccccc2)ccc1C#N 1659395471 PDAHQMOZDVEOIC-OAQYLSRUSA-N 316.448 4.984 30 20 DJED Cc1cc(CN2CC3(CCCC3)c3ccccc32)ccc1C#N 1659400115 CEGZBXHXTRYQEH-UHFFFAOYSA-N 302.421 4.699 30 20 DJED C[C@H](CCC1CCCCC1)NC(=O)Nc1cccc(CC#N)c1 1670084452 ISANTNDSPLZYMJ-OAHLLOKOSA-N 313.445 4.623 30 20 DJED N#Cc1ccc(CN[C@@H](c2cccc(Cl)c2)C2CCCC2)o1 135972318 PIROCQCVVVAHJT-GOSISDBHSA-N 314.816 4.826 30 20 DJED N#Cc1ccc(CN[C@H](c2ccc(F)cc2)C2CCCC2)s1 176957814 KBNMCKWMTKLJSS-SFHVURJKSA-N 314.429 4.780 30 20 DJED N#Cc1ccccc1CN[C@H](Cc1ccccc1)c1cccs1 179092021 FMBROLBCUVMKFQ-LJQANCHMSA-N 318.445 4.693 30 20 DJED C[C@H](N[C@@H](C)c1c(F)cccc1Cl)c1cccc(C#N)c1 181999979 PORQHQOIULGSFT-RYUDHWBXSA-N 302.780 4.763 30 20 DJED N#Cc1ccc(Sc2ccc(F)cc2)cc1Br 228253006 HPWHIAXUWUOGLD-UHFFFAOYSA-N 308.175 4.611 30 20 DJED CC(C)(C#N)CCCC[S@@](=O)c1cc(Cl)ccc1Cl 232526039 VIMCXCOEVQIIAK-LJQANCHMSA-N 318.269 4.821 30 20 DJED Fc1ccc(C=NOCc2csc(-c3cccs3)n2)cc1 255332120 HXZHJTPHLRXSKJ-UHFFFAOYSA-N 318.398 4.561 30 20 DJED CCCCCCCC(=O)Nc1ccccc1[C@H](O)C(F)(F)F 272278019 UFDMUCCUSJEQMT-HNNXBMFYSA-N 317.351 4.581 30 20 DJED CC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(C)cc1 341759117 DMTCTBIONMIAKK-RTWAWAEBSA-N 304.437 4.985 30 20 DJED C=CCSc1ccccc1C(=O)N(C)[C@H](C)CCSCC 356018019 YWANVFQAZYKBBA-CQSZACIVSA-N 323.527 4.568 30 20 DJED C=CCC[C@@H](NC(=O)CCCC#N)c1ccc(C(F)(F)F)cc1 360380523 WGCQSGQKILUMFC-OAHLLOKOSA-N 324.346 4.523 30 20 DJED C[C@@H](CCC(C)(C)C)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425132450 RDDPPQZHPUJKGH-LSDHHAIUSA-N 300.446 4.540 30 20 DJED Cc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)c(C)c1 429903867 BIZDTGIBFQFXKZ-UHFFFAOYSA-N 320.417 4.951 30 20 DJED CC[C@H](N[C@H](CC)c1ccc(OC)cc1)c1ccc(C#N)cc1 447511239 SNDJNMDLOHBBEG-VQTJNVASSA-N 308.425 4.759 30 20 DJED CCCCn1ccnc1-c1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1 463302901 SYANZJGIVFALPY-AEFFLSMTSA-N 322.456 4.844 30 20 DJED CCCC1(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)CCC1 469012905 QUTGOSHTHRMSON-UHFFFAOYSA-N 312.457 4.513 30 20 DJED CC(C)C[C@@H]1CCCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 476295248 UIPAVZSTVHRNQM-SFHVURJKSA-N 312.457 4.529 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccnn1[C@H](C)CC(C)C 481467871 VRCJVTSXAROVBI-MRXNPFEDSA-N 320.481 4.700 30 20 DJED N#Cc1ccc(CNc2ccc(-c3ccco3)cc2F)c(F)c1 486792823 HHQCHORUMFIFCK-UHFFFAOYSA-N 310.303 4.709 30 20 DJED C[C@H](c1cccc(C(F)(F)F)c1)N(C)Cc1ccc(C#N)s1 507215860 WNISKJQPCGGOBN-LLVKDONJSA-N 324.371 4.832 30 20 DJED C=C1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1 513462151 SOHFIHYSSHHJTO-UHFFFAOYSA-N 304.846 4.616 30 20 DJED CN(Cc1ccc(C#N)cc1F)Cc1c(Cl)cccc1Cl 519918583 ZKCOBGPMFLDJLX-UHFFFAOYSA-N 323.198 4.636 30 20 DJED C=CCCOCCCCC(=O)N(C)[C@H](C)c1ccccc1Cl 539367458 FLAKSWIREJLYPX-OAHLLOKOSA-N 323.864 4.622 30 20 DJED C=CCOc1ccccc1CN[C@H]1CCc2sc(Cl)cc21 558479901 DWVNPDRXCOYPKU-AWEZNQCLSA-N 319.857 4.743 30 20 DJED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)CCC2 561139540 DTMYKDSELTVUAI-IVZQSRNASA-N 316.448 4.775 30 20 DJED C=CCCCCCN(C)Cc1csc(-c2ccc(C)o2)n1 568803683 VAZDBYGLTSGHJY-UHFFFAOYSA-N 304.459 4.890 30 20 DJED CC(C)CC[C@H](NC[C@@H](C#N)CCC#N)c1ccc(Cl)cc1 571790209 CNAHNQQUXDJUDT-QAPCUYQASA-N 317.864 4.850 30 20 DJED Cc1ccc(C)c([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c1 574183440 JSABRUBUPJWFHM-HRAATJIYSA-N 304.437 4.903 30 20 DJED C[C@H](CCC(=O)N(CCC#N)c1ccc(F)cc1)c1ccccc1 583360784 YMLCQRZHNRFLST-MRXNPFEDSA-N 324.399 4.656 30 20 DJED C=CC1CCN(C(=O)Cc2coc3ccc4ccccc4c23)CC1 599686183 FWHMYAXOWTUGGQ-UHFFFAOYSA-N 319.404 4.553 30 20 DJED N#Cc1cc(NC(=S)Nc2ccc3ccccc3c2)ccc1F 728176719 QDVJVKBXCBSHTO-UHFFFAOYSA-N 321.380 4.659 30 20 DJED c1ccc(C[C@@H]2CCCC2=NNc2ncnc3sccc23)cc1 735611741 CFFKNULXPLGBOG-AWEZNQCLSA-N 322.437 4.502 30 20 DJED N#CCOc1cccc(NCc2ccc(SC(F)F)cc2)c1 742258892 URYRKPWJOBZMNO-UHFFFAOYSA-N 320.364 4.516 30 20 DJED C[C@H](OC(=O)c1[nH]c2ccccc2c1Cl)c1ccc(C#N)cc1 749063076 VSKLMSHZQUAXLW-NSHDSACASA-N 324.767 4.611 30 20 DJED CC(C)(C)c1ncc(/C=C2/Cc3c(F)ccc(F)c3C2=O)s1 749582576 PDNAXZWEQJHIJR-TWGQIWQCSA-N 319.376 4.541 30 20 DJED Cc1ccc(C(=O)/C=C\c2coc(-c3ccccc3)n2)c(C)c1 749885869 GPKOTMOBQSKESG-LUAWRHEFSA-N 303.361 4.855 30 20 DJED C#CC[C@@H](NCc1cnc(-c2cccs2)s1)c1ccccc1 756996614 QMUICRLEZONWKR-MRXNPFEDSA-N 324.474 4.726 30 20 DJED COc1ccc(C)cc1C(=O)/C=C\c1cnc(C2CCC2)s1 760262887 MAHPLROIZWZJAV-FPLPWBNLSA-N 313.422 4.624 30 20 DJED Clc1ccc(NN=CCCC2CCOCC2)c(Cl)c1 764895632 GZQAEUXRRSIMPR-UHFFFAOYSA-N 301.217 4.598 30 20 DJED C#Cc1cccc(N(CC)C(=O)c2ccc(-c3ccco3)s2)c1 765406935 WTDVAGUJYPLIBL-UHFFFAOYSA-N 321.401 4.656 30 20 DJED CCSc1ccc(C(=O)/C=C\c2ccc(F)c(C#N)c2)cc1 770574826 MTKLFQXNYLTSTJ-WMZJFQQLSA-N 311.381 4.705 30 20 DJED CCCC(=CC(=O)[C@@H](C#N)c1nc(C(C)C)cs1)CCC 771283425 YDHGSLMEEBGZMB-CQSZACIVSA-N 304.459 4.969 30 20 DJED Cc1ccc2c(c1)CC[C@H]2Nc1cccc(OCCCC#N)c1 776841351 IXNLIOLJUFESSS-HXUWFJFHSA-N 306.409 4.777 30 20 DJED CCN(C(=O)c1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 777481270 VPIJEKPQNJSNAE-UHFFFAOYSA-N 319.191 4.532 30 20 DJED O=C1/C(=C/c2ccc3ncccc3c2)COc2ccc(Cl)cc21 783714327 HIDMQYBAVUEHDR-NTEUORMPSA-N 321.763 4.547 30 20 DJED CC#CC(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl 801280356 DQNMUKCXUGTNQM-UHFFFAOYSA-N 304.176 4.622 30 20 DJED O=C1/C(=C\c2ccc(C3CCCC3)cc2)CCc2nc(O)ccc21 812243419 LSGWOTGJIXEYDF-LGMDPLHJSA-N 319.404 4.657 30 20 DJED Cc1cc(Cl)ccc1C[S@@](=O)CCC1(C#N)CCCCC1 841720126 HYAUUJJBTUAWPO-NRFANRHFSA-N 323.889 4.761 30 20 DJED Cc1cc(OC(C)C)ccc1Nc1nc(C#N)c(Cl)s1 1162206102 OTIFROPQGTWUNE-UHFFFAOYSA-N 307.806 4.507 30 20 DJED C[C@H](CC(C)(C)C#N)NC1CCC(c2ccc(F)cc2)CC1 1180716528 UCOFTJHTLUPQSM-MXWWQKGMSA-N 302.437 4.770 30 20 DJED N#Cc1ccccc1-c1ccc(COc2ccccc2F)cc1 1188184266 BLPCUADTBJKDNQ-UHFFFAOYSA-N 303.336 4.943 30 20 DJED Cc1cc(CSc2nc(C(F)(F)F)ccc2C#N)cs1 1189166907 YKOYJVPHFWNPQX-UHFFFAOYSA-N 314.357 4.634 30 20 DJED CCCC(CCC)C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 1354502920 PUNPAHOIUSJZCF-OAHLLOKOSA-N 300.446 4.684 30 20 DJED CC[C@H](C)c1ccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 1358206786 XPAHETFBYGSRIM-AWEZNQCLSA-N 323.440 4.881 30 20 DJED CC[C@@H](c1ccccc1)N(CC)c1nc(C#N)c(Cl)s1 1458146409 RWOIIPCTDKAMSV-ZDUSSCGKSA-N 305.834 4.646 30 20 DJED CC[C@@H](CN(CC)c1snc(Cl)c1C#N)c1ccccc1 1472763257 MHLUXUBSTRAJGC-LBPRGKRZSA-N 319.861 4.688 30 20 DJED N#Cc1ccc(F)cc1CSCc1cccc(OC(F)F)c1 1472995334 YVMMNSCJPQPJSA-UHFFFAOYSA-N 323.339 4.732 30 20 DJED C=C(Cl)Cn1c(C(C)C)nnc1N(C)[C@@H](C)C1CCCCC1 1507854221 LWWXXAIGWYOXDE-AWEZNQCLSA-N 324.900 4.559 30 20 DJED CC(C)(C)Cc1ccccc1C(=O)Nc1ccc(F)c(C#N)c1 1536923038 UFACENHOYAWBIT-UHFFFAOYSA-N 310.372 4.538 30 20 DJED COc1cc(C#N)ccc1CN(c1ccccc1)[C@H](C)C(C)C 1560137293 ANCLOISSVYDRFD-MRXNPFEDSA-N 308.425 4.618 30 20 DJED CCc1ccc(N(CC(C)(C)C)C(=O)c2cccc(C#N)c2)cc1 1587628801 WTWKZTJKFWTLML-UHFFFAOYSA-N 320.436 4.814 30 20 DJED N#Cc1ccc(SCc2c(Cl)oc3ccccc23)nc1 1651757670 SFBWPLDLBHXGFN-UHFFFAOYSA-N 300.770 4.645 30 20 DJED N#CCC1(CN[C@H](c2ccc(F)cc2)C2CCCCC2)CC1 1654514974 CLHLEZFGONVQOJ-SFHVURJKSA-N 300.421 4.731 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1F)C1(c2ccccc2)CCCC1 1657807482 QBYHEIGFKDWXFQ-MRXNPFEDSA-N 322.427 4.687 30 20 DJED Cc1cc(CN2CCC[C@@H]2c2ccccc2Cl)ccc1C#N 1658428885 PEJSWIMKSBYOHX-LJQANCHMSA-N 310.828 4.857 30 20 DJED CC[C@H](NC(=O)Nc1cccc(C#N)c1C)c1cc(C)ccc1C 1659837549 IENXKFMYPYFYOK-SFHVURJKSA-N 321.424 4.756 30 20 DJED C[C@H](NCc1ncc(-c2ccccc2)s1)c1cccc(C#N)c1 92409995 XXBJJBJKKYPJFV-AWEZNQCLSA-N 319.433 4.533 30 20 DJED C=CCC1(C(=O)Nc2cc(-c3ccncc3)ccc2C)CCC1 191893381 VKCGGBIWHNOQEE-UHFFFAOYSA-N 306.409 4.742 30 20 DJED C[C@@H]1C[C@H]1[C@@H](NCc1cc(C#N)cs1)c1ccc(Cl)cc1 246138187 FUJOMOZHSXSLAK-LQAWEQHXSA-N 316.857 4.760 30 20 DJED C(=NOCc1csc(C2CCCCC2)n1)c1cccs1 255518659 UDWIRCIGXGCEAC-UHFFFAOYSA-N 306.456 4.803 30 20 DJED O=C(/C=C\c1cnc(-c2cccs2)s1)c1ccccc1F 255632957 ZVVJOVROOYEDGR-FPLPWBNLSA-N 315.394 4.907 30 20 DJED CC(C)(C)C[C@@H](Nc1ccc(C#N)nn1)c1ccc(Cl)cc1 301996222 OLCUBLWIIARICN-OAHLLOKOSA-N 314.820 4.591 30 20 DJED Cc1sc(NC(=O)CC[C@H](C)c2ccccc2)c(C#N)c1C 441286846 IQSILVJBUUKUCN-LBPRGKRZSA-N 312.438 4.759 30 20 DJED N#C[C@H]1CC[C@H](NCC2(c3ccc(F)cc3Cl)CCCC2)C1 442847436 CJUNURZHBFPDHO-ZFWWWQNUSA-N 320.839 4.573 30 20 DJED C=CCCO[C@@H](C)c1nc(-c2ccc(SCC)cc2)no1 445764598 BZFJYYNOVPOALZ-LBPRGKRZSA-N 304.415 4.502 30 20 DJED C=CCCC[C@@H](C)NC(=O)c1cc(F)ccc1-c1ccoc1 471103987 MHNUQSOGCHANDA-CYBMUJFWSA-N 301.361 4.560 30 20 DJED C=CCCC[C@H](C)N[C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 474878919 AWNKPEZVRGYNRN-HRCADAONSA-N 305.462 4.530 30 20 DJED C=CCC1(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)CCC1 479661783 RQAWZJQSHCYXGJ-GFCCVEGCSA-N 311.347 4.629 30 20 DJED CCCOc1ccccc1NCc1ccccc1C(C)(C)C#N 486433486 GRBHQLIFEPFSIX-UHFFFAOYSA-N 308.425 4.889 30 20 DJED Cc1ccc(Cl)c(NCc2cccc(OCCCC#N)c2)c1 503271549 XHFAKTBFSGCFJM-UHFFFAOYSA-N 314.816 4.943 30 20 DJED CC(C)OCc1ccccc1CNc1cc(Cl)ccc1C#N 522903837 IVCPTSUOMFHNES-UHFFFAOYSA-N 314.816 4.749 30 20 DJED N#Cc1ccc(CNc2ccc(COC3CCCC3)cc2)c(F)c1 533446804 BPPOQSUJSMMRBA-UHFFFAOYSA-N 324.399 4.769 30 20 DJED C=C[C@@H](CC(=O)Nc1cccc2ccc(O)cc12)c1ccccc1 543015532 JBDHYMIAHWYCJS-HNNXBMFYSA-N 317.388 4.844 30 20 DJED C=CCC[C@@H](CC)NCC1(c2ccccc2Cl)CCOCC1 545192234 MPPGQESRVIWWQG-MRXNPFEDSA-N 321.892 4.723 30 20 DJED C[C@H](C(=O)N[C@@](C)(C#N)C1CCCCC1)c1cc2ccccc2o1 550349173 DGZWARQRUNGCBO-XOBRGWDASA-N 324.424 4.515 30 20 DJED C[C@@H](CCC(C)(C)C)C(=O)Nc1sc2c(c1C#N)CCC2 558392994 JVAMPCHGBLWKII-NSHDSACASA-N 304.459 4.509 30 20 DJED C=CCn1c(C(C)C)nnc1N1CCC[C@H]1c1cc(C)ccc1C 563782840 NUYHCSFSZVMMDT-SFHVURJKSA-N 324.472 4.546 30 20 DJED C[C@H](CC(=O)N[C@@](C)(C#N)C1CCCCC1)C1CCCCC1 568861461 JSYRJXJFGISREX-BEFAXECRSA-N 304.478 4.572 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2CCC[C@@H]2c2ccsc2)n1 613412092 HLUJYSOPTLZETH-OAHLLOKOSA-N 311.454 4.654 30 20 DJED N#Cc1ccc(CNCc2csc3ccccc23)cc1Cl 619748752 SPYOLNRGDYFGKC-UHFFFAOYSA-N 312.825 4.716 30 20 DJED C=CCC1(C(=O)N2CCC[C@H](Cc3ccc(C)cc3)C2)CCC1 682887402 FIYNPKMHOHFQGK-LJQANCHMSA-N 311.469 4.523 30 20 DJED COc1cc(C#N)cc(Cl)c1OCc1ccc(Cl)s1 727486683 JPCPOESLKKZQAJ-UHFFFAOYSA-N 314.193 4.514 30 20 DJED COc1ccc2oc(C(C)=NNc3ccccc3F)c(C)c2c1 729142986 HUFSTGVFXDUCGI-UHFFFAOYSA-N 312.344 4.725 30 20 DJED O=C1/C(=C/c2cccnc2Cl)Cc2c1ccc(Cl)c2Cl 729150731 LXMJXJZOIYAILU-RMKNXTFCSA-N 324.594 4.864 30 20 DJED CC1CCN(c2ccc(CNc3ccc(C#N)cc3F)cc2)CC1 731029091 ULEUNZNBLASWND-UHFFFAOYSA-N 323.415 4.546 30 20 DJED Oc1ccc2ccccc2c1/C=N/C[C@H]1CCOc2ccccc21 731156026 YUGLOPLVZOIPCJ-CAUNFOBBSA-N 317.388 4.531 30 20 DJED CCCCCCOc1ccc(/C=C\C(=O)c2cncs2)cc1 735793255 WBQCKZIMAMWPDK-FLIBITNWSA-N 315.438 4.998 30 20 DJED CCc1ccc(C=NOCc2cc(C)nc3ccccc23)cc1 742351327 VGCKNDSIADKETI-UHFFFAOYSA-N 304.393 4.656 30 20 DJED CC[C@@H](C#N)Oc1cccc(CNCc2ccccc2C2CC2)c1 751146887 KZBVGJYIYREVPB-IBGZPJMESA-N 320.436 4.535 30 20 DJED C[C@@H](CC=NNc1ccc(OC(F)F)cc1)c1ccccc1 755682356 GUDSHVRZINOPRX-ZDUSSCGKSA-N 304.340 4.880 30 20 DJED CC(=NNc1cccc(Cl)c1)c1nc2c(s1)CCCC2 761253168 LBCMQYJULIKALG-UHFFFAOYSA-N 305.834 4.511 30 20 DJED C#CCCc1noc(-c2oc3c(ccc4ccccc43)c2C)n1 762010950 SQTDSUSJZWNMLA-UHFFFAOYSA-N 302.333 4.510 30 20 DJED Cc1cncc(C(=O)/C=C\c2cc(C)c(C)cc2OC(F)F)c1 767367648 PPOQFUJMOCEXQW-PLNGDYQASA-N 317.335 4.504 30 20 DJED CCCCCCCCC(=O)N[C@@H](C)[C@H]1CCCN(C2CCC2)C1 781198774 FPBNXUHCWOZNRI-ROUUACIJSA-N 322.537 4.506 30 20 DJED Cc1ccsc1C(=O)/C=C\c1cscc1Br 794703431 VCQANUKYIPYHRE-IHWYPQMZSA-N 313.241 4.777 30 20 DJED Cc1cc(C)c(C)c(OC(=O)C[C@@H](CC#N)c2ccccc2)c1 796540608 VBMUSNKKHHGBND-GOSISDBHSA-N 307.393 4.605 30 20 DJED C#Cc1ccc(CN[C@@H](C)c2ccccc2C(F)(F)F)cc1 809609632 MJEXGAGFJJQCEW-ZDUSSCGKSA-N 303.327 4.538 30 20 DJED C#C[C@@H](NCc1ccc(SC)cc1)c1ccc(Cl)cc1F 809699539 SPYRIGDUBKCBLT-QGZVFWFLSA-N 319.832 4.665 30 20 DJED c1ccc(-c2nnc(NN=C3CC(c4ccccc4)C3)s2)cc1 814947419 QRQNMZZODSOLMO-UHFFFAOYSA-N 320.421 4.551 30 20 DJED CSc1ccc(/C=C2\CSc3ccc(F)cc3C2=O)cc1 916128653 UBEIHXZRICWGCR-XYOKQWHBSA-N 316.422 4.920 30 20 DJED CCOc1cccc(C=Nc2ccc(OC(C)C)cc2C)c1O 917557304 FCYJCPZPSXVDAI-UHFFFAOYSA-N 313.397 4.637 30 20 DJED Cc1cc(C(=O)/C=C\c2cn3cc(Cl)ccc3n2)c(C)s1 920754343 DABPPHWRSPFMQZ-PLNGDYQASA-N 316.813 4.562 30 20 DJED N#C[C@@H](C(=O)CCCCc1ccccc1)c1nc(C2CC2)cs1 1122988294 SQAWEPHOKHREIF-INIZCTEOSA-N 324.449 4.610 30 20 DJED Cc1cc(C#N)cc(NC(=O)C[C@H]2CCC[C@H](C(F)(F)F)C2)c1 1129685843 RKHLUIIWUHHXJJ-JSGCOSHPSA-N 324.346 4.564 30 20 DJED CC(C)[C@@H]1N(C(=O)[C@@H](CC#N)c2ccccc2)CC12CCCCC2 1141953150 LBFZJMXXBNLLDA-OALUTQOASA-N 324.468 4.501 30 20 DJED CC(C)c1ccc2cc(C(=O)Nc3cc(F)cc(C#N)c3)[nH]c2c1 1151648612 UEXLUMJCBIRXII-UHFFFAOYSA-N 321.355 4.554 30 20 DJED N#Cc1cccc(SCc2cccc(OC(F)(F)F)c2)c1 1165755958 WJYYJCYVGNLCJX-UHFFFAOYSA-N 309.312 4.749 30 20 DJED CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)CCO[C@@H](C)C#N 1193976941 OBCDWWDRGXTGHI-KBXCAEBGSA-N 322.880 4.678 30 20 DJED N#Cc1ccc(-c2nnc([C@@H]3CCC[C@H]3c3ccccc3)o2)cc1 1329220946 AKUJEVAEOGAWMT-ZWKOTPCHSA-N 315.376 4.660 30 20 DJED C[C@H](NC(=O)CC#Cc1ccccc1)c1csc2ccccc12 1340826462 JJZTYFGLTLNMOF-HNNXBMFYSA-N 319.429 4.520 30 20 DJED Cc1ccc(C2(C(=O)Nc3ccc(C#N)c(Cl)c3)CCC2)cc1 1351129859 JLWDVNQDJDUHDI-UHFFFAOYSA-N 324.811 4.581 30 20 DJED Cc1ccccc1[C@H](Nc1cncc(C#N)n1)[C@@H]1CCC[C@H](C)C1 1458174002 VNQOWFLWEQLQOY-YYFZDKIDSA-N 320.440 4.636 30 20 DJED Cc1cc(C)n(-c2ccc(CSc3ccc(C#N)cc3)cc2)n1 1458918910 QZCQYSLYHIKOGK-UHFFFAOYSA-N 319.433 4.653 30 20 DJED CCCc1cccc(CN(Cc2ccc(C#N)cc2)C2CC2)c1 1462002898 RTIMYKRPYXEHRH-UHFFFAOYSA-N 304.437 4.675 30 20 DJED Cc1cc(C#N)cc(N[C@@H](C)CCc2ccc(F)cc2F)c1 1462340417 XDUMXLLOUMZNQE-ZDUSSCGKSA-N 300.352 4.578 30 20 DJED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 1465873436 WWZUCFGMLOTZAE-NVXWUHKLSA-N 313.445 4.593 30 20 DJED CC(C)CN(Cc1ccccc1)Cc1ccc(Cl)cc1C#N 1473129402 CQJRYCGXIGNGRM-UHFFFAOYSA-N 312.844 4.870 30 20 DJED CCN(Cc1ccccc1C(C)(C)C#N)c1ccc2[nH]ccc2c1 1473393648 XUAIMUKRFLYVOH-UHFFFAOYSA-N 317.436 4.996 30 20 DJED CCN(C(=O)C1CC(C)(C)CC(C)(C)C1)c1ccc(C#N)cc1 1538804529 LOJQOTNOHQZYRX-UHFFFAOYSA-N 312.457 4.764 30 20 DJED N#Cc1ccc(NC(=O)c2ccc(C(F)F)cc2F)c(Cl)c1 1544256186 WNGMIXFCMCDAGW-UHFFFAOYSA-N 324.689 4.541 30 20 DJED Cc1ccc(C#N)c(N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)n1 1559212833 XBYDTAWBXSHRQK-RHSMWYFYSA-N 311.816 4.663 30 20 DJED C[C@H]1CC(Nc2c(Br)cccc2C#N)C[C@H](C)C1 1655164263 NANMNSRKIXWKGW-GHMZBOCLSA-N 307.235 4.557 30 20 DJED CCC1(CNC(=O)Nc2scc(C(C)(C)C)c2C#N)CCC1 1672201852 KWIISTSCFFPLTR-UHFFFAOYSA-N 319.474 4.619 30 20 DJED CC1(C)CCCN(C(=O)Nc2ccc(C#N)cc2)c2ccccc21 1672411941 DEGKUJMNWJUZFP-UHFFFAOYSA-N 319.408 4.668 30 20 DJED Cc1cc(C#N)cc(NC(=O)N[C@@H](c2ccccc2)C(C)(C)C)c1 1672775886 SPDQMQGMXDOQAA-SFHVURJKSA-N 321.424 4.776 30 20 DJED CC[C@@H](C)c1ccc(/C=C/C(=O)c2ccc(C(=O)O)cc2O)cc1 1776698685 SJGAEYYGMFHDCR-ASJRZHAZSA-N 324.376 4.500 30 20 DJED Cc1nc(-c2cccc(NCc3cc(C#N)cs3)c2)oc1C 121508430 KFBGBIYGTZVLTE-UHFFFAOYSA-N 309.394 4.504 30 20 DJED C=C[C@@H](CC(=O)N1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 128197643 AYXJKDJNMBBWBX-OXJNMPFZSA-N 323.411 4.849 30 20 DJED N#Cc1ccc(CN[C@@H](c2ccccc2)c2cccc(F)c2)s1 154258801 MQZPPAFJLHHIOA-IBGZPJMESA-N 322.408 4.638 30 20 DJED C#CCC(C)(C)C(=O)Nc1cc2oc3ccccc3c2cc1OC 184882699 CSOUSRIRZMDZKG-UHFFFAOYSA-N 321.376 4.583 30 20 DJED CCCCOc1ccc(/C=C/c2ccc(C#N)cn2)cc1OCC 195598396 KPMHENHNISUOCO-RMKNXTFCSA-N 322.408 4.701 30 20 DJED CCC1(CC)CCN(c2ccc(C#N)c(Br)c2)CC1 228186757 GWNDXZUAWODJFX-UHFFFAOYSA-N 321.262 4.727 30 20 DJED N#Cc1cc(C(F)(F)F)ccc1NC1CCC(F)(F)CC1 390077472 XOYSKVSTIFSTQS-UHFFFAOYSA-N 304.262 4.567 30 20 DJED Cc1ccc(C)c([C@@H](NCC2(CC#N)CC2)c2ccccc2)c1 430751007 RKXJXNPUNYZIHJ-FQEVSTJZSA-N 304.437 4.676 30 20 DJED N#Cc1cc(NCc2cccc(-c3ccncc3)c2)ccc1Cl 432428446 LDPDCGRFKBEUHK-UHFFFAOYSA-N 319.795 4.886 30 20 DJED CC[C@@H](N[C@@H](C)c1ccc(F)cc1F)c1ccc(C#N)cc1 447511183 SFNSQUXFQFXYNM-KPZWWZAWSA-N 300.352 4.638 30 20 DJED CC(C)[C@@H](NC1CCC(C)(C#N)CC1)c1ccc(F)cc1F 449193377 SEDKLKQETVNJCF-ZCDVPAHGSA-N 306.400 4.724 30 20 DJED C=CC[C@H](CC)N[C@H](C)c1csc(-c2ccccc2F)n1 462805807 IOKWCFSFBSZGLC-OLZOCXBDSA-N 304.434 4.955 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 467944025 SCWGXSZKKXCZKN-CQSZACIVSA-N 302.201 4.543 30 20 DJED Cc1ccc2sc(C(=O)Nc3cccc(C#N)c3C)c(C)c2c1 469682299 VMVJODXJFCMEIZ-UHFFFAOYSA-N 320.417 4.951 30 20 DJED C=CCC(CC=C)C(=O)N1CCC(c2cccc(Cl)c2)CC1 478259740 XIBXSMXKEAYPQU-UHFFFAOYSA-N 317.860 4.814 30 20 DJED C=CCC[C@@H](C(=O)N[C@@H](CC)CC(F)(F)F)c1ccccc1 490225972 YQZUDWIDWLCMLA-LSDHHAIUSA-N 313.363 4.584 30 20 DJED C[C@H](SCc1ccc(C#N)cc1F)c1ccc(F)cc1F 498126407 SPZFNNZWZCYQAU-JTQLQIEISA-N 307.340 4.970 30 20 DJED C=C(C)CCSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 505448832 GHCSCGYZJRMSGT-UHFFFAOYSA-N 324.453 4.820 30 20 DJED C[C@H](NCC1(c2cccc(Cl)c2)CC1)c1cccc(C#N)c1 540595449 URWUZOLZEQKMCU-AWEZNQCLSA-N 310.828 4.594 30 20 DJED C=CCCC(=O)N1CCC(c2ccc(Cl)cc2Cl)CC1 552607730 LRIGTQSTKAIOSE-UHFFFAOYSA-N 312.240 4.666 30 20 DJED CCc1cccc(NC(=O)c2cc(C#N)ccc2Cl)c1CC 560680027 XFBWQGUHXQGYRY-UHFFFAOYSA-N 312.800 4.589 30 20 DJED Cc1ccccc1[C@@H](CC(C)C)NC(=O)CCCCCC#N 588157831 COZHUMITSLNJDN-GOSISDBHSA-N 300.446 4.673 30 20 DJED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CC1(C#N)CCCCC1 596723789 NIVBMRDTQPZDRD-HNNXBMFYSA-N 324.424 4.816 30 20 DJED Cc1sc(NC(=O)C2(c3ccccc3)CCCC2)c(C#N)c1C 603445735 WQHULMDEFUKPNI-UHFFFAOYSA-N 324.449 4.687 30 20 DJED C=CC[C@@H](C)NC(=O)c1cc2sc3ccccc3c2s1 604880082 QQCDNPPMTDLTFF-SNVBAGLBSA-N 301.436 4.810 30 20 DJED C=CCC[C@H](N[C@H](C)c1ccc2nc(O)oc2c1)c1ccccc1 671753741 IKFIPDBWSASOSU-PBHICJAKSA-N 322.408 4.892 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 675149970 HREUFLXEKGBFTP-GOSISDBHSA-N 322.452 4.642 30 20 DJED CCCCCCCC(=O)Nc1cccc2c1CN(CCC)C2 727342457 UXLNEWGWUHKUJS-UHFFFAOYSA-N 302.462 4.711 30 20 DJED Cc1ccccc1-c1cccc(C=Nn2cnc3ccccc32)c1 729635357 PHYBYHKUAQOJGE-UHFFFAOYSA-N 311.388 4.894 30 20 DJED Cc1cccc(C)c1CON=Cc1ccc(Br)cc1 738288021 BQXDHPLHAYROGV-UHFFFAOYSA-N 318.214 4.617 30 20 DJED CCOc1cccc(C(=O)/C=C/c2ccc(OC(F)F)cc2)c1 743539188 WHZGQEJJVKUEAV-DHZHZOJOSA-N 318.319 4.583 30 20 DJED CCC(=NNc1cccc(Br)c1)c1cccs1 745988425 VXXLKGBOYMIRFY-UHFFFAOYSA-N 309.232 4.737 30 20 DJED COc1cc(/C=C\C(=O)c2cc(C)sc2C)ccc1SC 746342186 NIGAXJCGYNCUCX-ALCCZGGFSA-N 318.463 4.992 30 20 DJED C[C@@H]1C/C(=C\c2c(Cl)nc(Cl)n2C)C(=O)c2ccccc21 751535402 KFZXFCOLTWVKKS-NCXKZPMSSA-N 321.207 4.500 30 20 DJED N#Cc1ccc(SCc2cccc3nsnc23)c(Cl)c1 754721212 WCUXTQMQWUTFLN-UHFFFAOYSA-N 317.826 4.509 30 20 DJED C=C(Cl)COc1ccc([C@H](C)NCc2ccoc2C)cc1 765397857 UDMAFWNCZVYTIG-ZDUSSCGKSA-N 305.805 4.570 30 20 DJED CCCCCC[C@@H](C)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 767975681 SMLGQVNRTBLXCO-QGZVFWFLSA-N 324.468 4.780 30 20 DJED C[C@H](C#N)Oc1ccccc1N[C@H](C)c1cc2ccccc2o1 780746400 ZQKYIONLNYMOQZ-ZIAGYGMSSA-N 306.365 4.897 30 20 DJED CC[C@H](CC(=O)OCCCC(C)(C)C#N)c1ccc(C)cc1 783744990 OPWFTQMFBOCEMU-MRXNPFEDSA-N 301.430 4.752 30 20 DJED O=C(/C=C/c1ccc2ncccc2c1)c1c(F)cccc1Cl 809159050 GVXLMMSTKXJNRR-VQHVLOKHSA-N 311.743 4.923 30 20 DJED C#C[C@H](NCc1cscc1Cl)c1ccc(Cl)cc1F 809698887 IORQMVZVUZWZRH-AWEZNQCLSA-N 314.212 4.658 30 20 DJED C=CCC(F)(F)C(=O)N(Cc1ccc2ccccc2c1)C1CC1 815100279 CTZOXZBIQLINOZ-UHFFFAOYSA-N 315.363 4.542 30 20 DJED CC(C)=CCC[C@H](C)CC(=O)Nc1ccccc1O[C@H](C)C#N 843575623 QTCTWXRQXGSCRI-JKSUJKDBSA-N 314.429 4.689 30 20 DJED Clc1cc(CON=Cc2cccs2)c2ncccc2c1 914786942 VMEFCMIECKBBTE-UHFFFAOYSA-N 302.786 4.500 30 20 DJED CC(=NNc1ccccc1C(F)(F)F)c1cc(F)ccc1F 916259852 NRXJIBQDPMBPGW-UHFFFAOYSA-N 314.257 4.820 30 20 DJED C=CCN(C(=O)N[C@H](c1cccs1)C(CC)CC)C(C)C 918132075 VHHLMTFVFKGOCU-INIZCTEOSA-N 308.491 4.831 30 20 DJED CCCC[C@H](C(=O)N(CCC#N)c1ccc(C)cc1)C(C)C 1142835418 KWRMUJQOQVBKPA-SFHVURJKSA-N 300.446 4.704 30 20 DJED CCCOc1ccc(Nc2nc(C)c(C#N)cc2Cl)c(C)c1 1184972858 JQBQRJFAJFSVGO-UHFFFAOYSA-N 315.804 4.756 30 20 DJED Cc1ccc(C#N)cc1C(=O)N1CCCCC[C@@H]1c1ccccc1 1264865555 UKZQVVQGWKLXBZ-HXUWFJFHSA-N 318.420 4.624 30 20 DJED Cc1ccccc1[C@@H](NC(=O)c1ccc(C#N)cc1F)C(C)(C)C 1265760242 SOMZGQMGCJAVIL-GOSISDBHSA-N 324.399 4.523 30 20 DJED Cc1ccc(C#N)c(Nc2ccc(OCC3CCCCC3)cc2)n1 1306946022 MXPXWWVMPZIEBN-UHFFFAOYSA-N 321.424 4.964 30 20 DJED CCCCCC[C@@H](CC)C(=O)Nc1ccc(OCC#N)cc1 1339174505 TUTOPTUULPGPPJ-OAHLLOKOSA-N 302.418 4.524 30 20 DJED Cc1csc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1 1357754617 SFWODXRIMLFWLG-UHFFFAOYSA-N 324.430 4.909 30 20 DJED Cc1cccc([C@H]2CCCCN2C(=O)c2csc(C#N)c2)c1C 1360863019 IKIDCDZKEQUXTQ-GOSISDBHSA-N 324.449 4.604 30 20 DJED Cc1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c2ccccc12 1361169228 ZLVSEFPOVPVUEM-HNNXBMFYSA-N 315.372 4.938 30 20 DJED Cc1c(C#N)cccc1C(=O)O[C@H](C)c1ccc2c(c1)CCCC2 1435616788 YDWHTNJFFQDBTH-OAHLLOKOSA-N 319.404 4.664 30 20 DJED CC[C@@H](Cc1ccccc1C)C(=O)O[C@@H](C)c1cccc(C#N)c1 1457759491 HDMNPFUYHUUGHX-WMZOPIPTSA-N 321.420 4.740 30 20 DJED CCC[C@@H](Nc1ccc(Cl)c(C#N)n1)c1ccc(F)cc1F 1458253351 OIWVVQOKYRKYFT-CQSZACIVSA-N 321.758 4.838 30 20 DJED CC(C)c1ccc2c(c1)[C@H](NC(=O)c1sccc1C#N)CCC2 1458521748 PZRMRIJTQIXHML-QGZVFWFLSA-N 324.449 4.551 30 20 DJED N#Cc1ccc(CN[C@H]2CCCC23CCCCC3)cc1Cl 1474471155 VAGJGLZSCXUKLK-KRWDZBQOSA-N 302.849 4.804 30 20 DJED CC[C@@H](C(=O)N[C@H]1CCc2cc(C#N)ccc21)C1CCC(C)CC1 1531333152 LSMJQZXQTCVAGD-YWGOOWROSA-N 324.468 4.514 30 20 DJED CC(C)C[C@H](C(=O)O[C@@H](C)c1cccc(C#N)c1)c1ccccc1 1544187703 KYVDYKWARTUMCT-JXFKEZNVSA-N 321.420 4.992 30 20 DJED CCC[C@@H](Nc1cccc(C#N)n1)c1cccc(C(F)(F)F)c1 1559092928 CNXMMUBMKOZMMU-OAHLLOKOSA-N 319.330 4.925 30 20 DJED CC(C)N(Cc1cccc(F)c1)Cc1ccc(Cl)cc1C#N 1559497652 GYPYVXJCYXSDTH-UHFFFAOYSA-N 316.807 4.761 30 20 DJED Cc1ccccc1[C@@H](CC(C)C)NCc1ccc(F)cc1C#N 1559702369 PZEOHSIYQRQQJY-HXUWFJFHSA-N 310.416 4.883 30 20 DJED C=C(CNC(=O)CCc1ccc(CC(C)C)cc1)c1ccccc1 1584316072 GWMXAERZMKHWIU-UHFFFAOYSA-N 321.464 4.647 30 20 DJED CCC(C)(C)c1ccc(Oc2c(C#N)nnc3ccccc23)cc1 1611724876 CZPPSISPQPAGDO-UHFFFAOYSA-N 317.392 4.981 30 20 DJED CCC1(c2ccc(Cl)cc2)CCN([C@H](C)CCC#N)CC1 1642979515 AHLXALHYFMISLX-OAHLLOKOSA-N 304.865 4.776 30 20 DJED CC[C@H]1C[C@H](C)CN1Cc1ccc(-c2ccccc2C#N)cc1 1644702021 SGMAQTGKRGWAAE-JXFKEZNVSA-N 304.437 4.846 30 20 DJED Cc1ccc(Oc2nccc(Oc3cccc(C#N)c3)n2)cc1C 1651300540 JAJQWQTUDUIBSH-UHFFFAOYSA-N 317.348 4.550 30 20 DJED CC(C)(C)Sc1ccc(Nc2ccc(C#N)cn2)cc1F 1651883612 DOAKVXGZBRAUIC-UHFFFAOYSA-N 301.390 4.727 30 20 DJED Cc1ccc([C@@H]2CCN([C@@H](C)c3ccc(C#N)cc3)C2)c(C)c1 1654361975 DGLYSJGBJCEDNQ-FXAWDEMLSA-N 304.437 4.726 30 20 DJED CC(C)c1ccc2ncnc(N[C@@H](C)c3ccc(C#N)cc3)c2c1 1655033538 OGCVYOMSJAFRKA-AWEZNQCLSA-N 316.408 4.798 30 20 DJED CCc1ccc([C@@H]2CCCN(Cc3ccc(C#N)c(C)c3)C2)cc1 1658039840 YHLCGLAPGCFNBQ-JOCHJYFZSA-N 318.464 4.809 30 20 DJED CC[C@@H](Nc1cccc(OCCCC#N)c1)c1cccs1 37777496 KOEDYZPIOTVNPU-MRXNPFEDSA-N 300.427 4.994 30 20 DJED C=CCN(CCc1ccccc1)Cc1csc(-c2ccco2)n1 62364292 IOQUBWNNBIAPPI-UHFFFAOYSA-N 324.449 4.634 30 20 DJED Cc1ncsc1/C=C1/Cc2c(ccc(Cl)c2Cl)C1=O 78694281 BTMSPFZJANFNAV-YVMONPNESA-N 310.205 4.581 30 20 DJED Cc1ccc(-c2nnc([C@@H](C)Sc3ccc(C#N)cc3)o2)cc1 79647881 OUVVUVZBWIRNLH-CYBMUJFWSA-N 321.405 4.770 30 20 DJED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(F)c(F)c1 90664560 AAOUCDGCGCWRQJ-FZKQIMNGSA-N 300.352 4.660 30 20 DJED CC[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(N(C)C)cc1 90665339 JOLIQPQOLGHCKC-LEWJYISDSA-N 321.468 4.838 30 20 DJED C[C@H](NCc1ccc(C#N)cc1)c1cccc(Cl)c1Cl 117951234 RNSUZMDXYAVEPB-NSHDSACASA-N 305.208 4.716 30 20 DJED C[C@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1ccc(C#N)cc1 118397744 YKCHZUSMOKYMPT-XOBRGWDASA-N 308.400 4.889 30 20 DJED CC(C)=CCSc1ccccc1C(=O)[C@@H](C#N)c1ccccn1 122270510 JNZJQVWWRNYPRK-INIZCTEOSA-N 322.433 4.630 30 20 DJED Cc1cccc2c1[C@H](C)/C(=C/c1ccc(O[C@H](C)C#N)cc1)C2=O 157598251 XAYXOCLMHPDQPP-GNTARQNISA-N 317.388 4.669 30 20 DJED C[C@@H](NC(=O)C1(C#N)CCCCC1)c1cc2ccccc2s1 171726433 AYBDAIPNRBGESB-CYBMUJFWSA-N 312.438 4.553 30 20 DJED CC(C)OCc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)cc1 177555866 SZKYTNZDBGXKLZ-INIZCTEOSA-N 324.424 4.515 30 20 DJED Cc1cc(NCCCC(C)(C)C#N)nn1-c1ccccc1Cl 179951961 NQHZSCRCPAKKSO-UHFFFAOYSA-N 316.836 4.576 30 20 DJED C=CCOc1cccc(NC(=O)c2csc3ccccc23)c1 195624775 CNOJSRBENJALGA-UHFFFAOYSA-N 309.390 4.718 30 20 DJED CN(CCCCC(C)(C)C#N)Cc1ccc(Br)cc1 234272309 DGHLMFOWLWEDPY-UHFFFAOYSA-N 323.278 4.601 30 20 DJED CC(C)OCc1cccc(N=Cc2cc3ccccc3nc2O)c1 255030785 JWQUMSZVUHBPIV-UHFFFAOYSA-N 320.392 4.616 30 20 DJED C[C@@H](Nc1ccc(NC(=O)CC(C)(C)C#N)cc1)c1ccccc1 278871760 NCFFVSRDISCJCP-OAHLLOKOSA-N 321.424 4.738 30 20 DJED Cc1cc(O)nc2cc(/C(O)=N/[C@@H]3CCCC(C)(C)C3)ccc12 329656926 MYHBZAFWDCPRSE-CQSZACIVSA-N 312.413 4.522 30 20 DJED COc1ccc2c(c1)[C@@H](N[C@H](CCC#N)c1ccccc1)CCC2 358349285 HOYDXPGZSMLPEI-RTWAWAEBSA-N 320.436 4.707 30 20 DJED C=CCCc1ccccc1NC(=O)c1cc(C(CC)CC)no1 410354917 RPIFEUQKXNZCGO-UHFFFAOYSA-N 312.413 4.949 30 20 DJED N#C[C@@H]1CC[C@H](Sc2ncc(C(F)(F)F)cc2Cl)C1 430172539 XPRKSDCGEZLHSZ-APPZFPTMSA-N 306.740 4.538 30 20 DJED C=CC[C@H]1N(C(=O)Nc2cc(C)ccc2F)CCCC1(C)C 436111455 YZGBIAFQSJAYQE-MRXNPFEDSA-N 304.409 4.733 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(C(F)F)cc1 461394224 HTVDVQZKRLDHHQ-UHFFFAOYSA-N 314.379 4.906 30 20 DJED C=CCSc1ccccc1NC(=O)CS[C@H](C)C(C)C 463226185 VUYIPTVPJMGSOJ-CYBMUJFWSA-N 309.500 4.681 30 20 DJED CC#CCCCC(=O)N(Cc1cccs1)c1ccc(F)cc1 464438865 VRUKDAMTZYRFAM-UHFFFAOYSA-N 315.413 4.614 30 20 DJED Cc1cccc([C@H]2CCCCCN2CCCSCC#N)c1 466728751 WEDRWKCXTCLBBB-GOSISDBHSA-N 302.487 4.559 30 20 DJED C=C[C@](C)(CC)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 467881612 ZNAYOYDOWUSHMN-GOSISDBHSA-N 305.849 4.648 30 20 DJED C=C(C)[C@@H](N[C@@H](C)c1ccc(OC)cc1)c1ccc(F)c(F)c1 480681901 NKDYCKVVXNPFFX-ORAYPTAESA-N 317.379 4.941 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@H]1C=CCCC1 487759043 JERKNUFBULZQHV-ZDUSSCGKSA-N 309.862 4.663 30 20 DJED C=CCN(Cc1ccccc1)C(=O)c1ccc2ccccc2c1 497817700 MYNMDJUECRZBSX-UHFFFAOYSA-N 301.389 4.668 30 20 DJED C[C@H](SCCCCC1CCOCC1)c1ccc(C#N)cc1 507706394 YYEVJRYSRYQFHT-HNNXBMFYSA-N 303.471 4.949 30 20 DJED C[C@@H](Cc1ccc(Cl)cc1Cl)NCc1ccc(C#N)cc1 507913046 ITZRDERBTOTKHV-LBPRGKRZSA-N 319.235 4.586 30 20 DJED CCN(C(=O)CC1(C)CCCCC1)[C@@H](C)c1ccc(C#N)cc1 509859988 MSGWNTFBZHFXFA-INIZCTEOSA-N 312.457 4.828 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1cccc(COC2CCCCC2)c1 522652882 HPUUWJCSOVXDKN-OAHLLOKOSA-N 316.445 4.622 30 20 DJED C=CCN(Cc1cccs1)C(=O)CCc1cc(C)cc(C)c1 532763378 LVGNLILBTBRQJV-UHFFFAOYSA-N 313.466 4.512 30 20 DJED C=CCSCc1cc(-c2c(OC)ccc3ccccc23)no1 538667766 CVGXONOISHXTFR-UHFFFAOYSA-N 311.406 4.923 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCC(C)(C)C1 541935959 LBTHMMXKDJRCTP-ZIAGYGMSSA-N 316.470 4.846 30 20 DJED CCSCCN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542015089 GBDSMJBUQOWMFJ-HNNXBMFYSA-N 310.466 4.629 30 20 DJED N#CCc1ccc(CN[C@H](c2ccccc2F)C2CCCC2)cc1 543186560 WGWWFCKPJSNACP-NRFANRHFSA-N 322.427 4.913 30 20 DJED N#CCCCCCC(=O)N(Cc1ccc2ccccc2c1)C1CC1 588307019 RZJXQRPBNUWQEA-UHFFFAOYSA-N 320.436 4.805 30 20 DJED O=C(/C=C\c1sccc1Br)c1ccccc1F 588467749 RGPXPMSBXXMVSM-WAYWQWQTSA-N 311.175 4.546 30 20 DJED C=C(C)CN(CC)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 599487570 YAVPSAMVZJUGJO-CHWSQXEVSA-N 312.240 4.522 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1ccc(C(C)(C)C)cc1 609187001 CNKDFWKWUTZVCU-UHFFFAOYSA-N 314.473 4.776 30 20 DJED CC(C)(CNc1cccc(OCCCC#N)c1)c1ccccc1 611376581 SDBNLVCJINZTSH-UHFFFAOYSA-N 308.425 4.759 30 20 DJED C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccccc1C(C)(C)C#N 611554133 FIIDGKLSVFJVJJ-UKRRQHHQSA-N 324.390 4.651 30 20 DJED C=CCCN(C)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 670072428 WRAAVIALUMCDMO-UHFFFAOYSA-N 321.833 4.503 30 20 DJED C#Cc1cccc(NC(=S)Nc2cccc(Cl)c2Cl)c1 726434901 VKXBWLXSRNFNNB-UHFFFAOYSA-N 321.232 4.784 30 20 DJED Cn1ccc2c(N=Cc3cc(Cl)cc(Cl)c3O)cccc21 726892215 SBJFODPMBUQMSS-UHFFFAOYSA-N 319.191 4.941 30 20 DJED O=C(/C=C/c1ccccc1F)c1nc(-c2ccccc2)cs1 730085355 OVWHLMBMFDNLJR-ZHACJKMWSA-N 309.365 4.845 30 20 DJED Cc1ccc(-c2ncc(/C=C3/Cc4ccccc4C3=O)s2)cc1 734303515 SBGQTOIQGUCRCF-WJDWOHSUSA-N 317.413 4.941 30 20 DJED COc1ccc(/C=C2\Cc3cc(F)ccc3C2=O)c2ccccc12 734305216 MIQJGXHDAVZPIX-XNTDXEJSSA-N 318.347 4.810 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C\c3cccc(Cl)c3)c2c1 734307404 OKXGYDDEZRAIDW-YVMONPNESA-N 311.768 4.726 30 20 DJED Oc1ccccc1C=Nc1ccc(COCc2ccccc2)cc1 741465078 SUPPGWZUNLRWQO-UHFFFAOYSA-N 317.388 4.860 30 20 DJED Fc1ccc(C=NOCc2ccc(C(F)(F)F)cc2)cc1F 746577498 WCJNPTQPHVYLTR-UHFFFAOYSA-N 315.241 4.534 30 20 DJED C=CC[C@@H](NCc1ccc(C(F)(F)F)s1)c1ccncc1 758346284 ZBZIKLHBTQQJJA-CYBMUJFWSA-N 312.360 4.569 30 20 DJED CCCCCCCC(=O)Nc1ccc(Oc2cccnc2)nc1 760783258 YAKYKKTXKHAXQK-UHFFFAOYSA-N 313.401 4.568 30 20 DJED CCCCCCCCC(=O)NCc1csc(-c2ccco2)n1 763982778 GBCMRZDDTLQTBE-UHFFFAOYSA-N 320.458 4.770 30 20 DJED N#Cc1cc(Cl)nc(NN=C2CCC(c3ccccc3)CC2)c1 768375858 QERMTLPAJJUYES-UHFFFAOYSA-N 324.815 4.732 30 20 DJED C#CCCCCN[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 773042469 VMUDOCWJHPAOLJ-ZDUSSCGKSA-N 316.445 4.712 30 20 DJED CCc1cccnc1C(C)=NNc1ccc(Cl)c(Cl)c1 779768223 JFIPFDPLBHLXIB-UHFFFAOYSA-N 308.212 4.787 30 20 DJED COc1cc(C)c(C(=O)/C=C/c2sccc2Cl)cc1OC 782328659 XGESYAGXHAFBFB-SNAWJCMRSA-N 322.813 4.623 30 20 DJED CCCCCCC1=NN(C)/C(=N\Cc2ccccc2)SC1 783935205 LBPSJSPIZVQPLI-ISLYRVAYSA-N 303.475 4.548 30 20 DJED CCOc1ccc(O)c(C=Nc2cccc(-c3ncco3)c2C)c1 793657880 YUMYMXCARGOFIC-UHFFFAOYSA-N 322.364 4.505 30 20 DJED C=CC[C@H](CC)NC(=S)Nc1c(Cl)ccc(C)c1Cl 798376153 QHUQQVDYAGMJNW-JTQLQIEISA-N 317.285 4.943 30 20 DJED CSc1ccccc1[C@H](C)Nc1nc(Cl)c(C#N)s1 804690758 GZLTZNLCILRMIJ-QMMMGPOBSA-N 309.847 4.563 30 20 DJED CC(=NNc1ccc(Cl)c(Cl)c1)c1csc(C)n1 812372387 IDONLIJEIFVPHH-UHFFFAOYSA-N 300.214 4.594 30 20 DJED C=C(C)CCN[C@@H](C)c1ccc(SC(F)F)c(OC)c1 834882124 ICGALJVHBMGBSI-NSHDSACASA-N 301.402 4.627 30 20 DJED Cc1nc(-c2cc([C@@H](C)NCC3(C#N)CCC3)cs2)cs1 903031612 MWBBSFLQEABKPM-LLVKDONJSA-N 317.483 4.525 30 20 DJED CC(=NNc1cccc([N+](=O)[O-])c1)c1cccc2ccccc12 916268911 FIEBWGDTXNMIIS-UHFFFAOYSA-N 305.337 4.584 30 20 DJED COc1c(Cl)cc(Cl)cc1/C=C\C(=O)c1cccs1 921261609 RPPHQMZPGBVXBT-PLNGDYQASA-N 313.205 4.960 30 20 DJED Cc1ccc(C2(C(=O)O[C@@H](C)c3ccc(C#N)cc3)CCC2)cc1 1126638475 ZMFXNHMVRBVYPD-INIZCTEOSA-N 319.404 4.593 30 20 DJED Cc1cccc(C2=CCN(Cc3ccc(C#N)s3)CC2)c1C 1176860991 RQLOKGLYZXUPDZ-UHFFFAOYSA-N 308.450 4.526 30 20 DJED C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)Cc1cccc(C#N)c1 1307521737 MRDMIPWACZQRBL-GJZGRUSLSA-N 312.844 4.836 30 20 DJED C[C@H]1/C(=C/c2ccc(N3CCCC3)cc2)C(=O)c2ccccc21 1324190831 WTODUJOQBBIIIF-KWPCUBQOSA-N 303.405 4.670 30 20 DJED Cc1cc(SCC[C@@H](C)OCc2ccccc2)ccc1C#N 1459140999 IZKOUDUSKZOUFA-MRXNPFEDSA-N 311.450 4.954 30 20 DJED Cc1ccc(C#N)cc1C(=O)Nc1cccc(-c2cccs2)c1 1519987072 VHPIYHWPMCOHMM-UHFFFAOYSA-N 318.401 4.848 30 20 DJED CCC(CC)[C@@H](NC(=O)c1cc(C#N)cs1)c1ccccc1 1526620809 DUKOVKCBEFVQRF-QGZVFWFLSA-N 312.438 4.527 30 20 DJED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNc1ccc(Cl)c(C#N)n1 1559088403 XEEKXXRWKKMZRO-MGPQQGTHSA-N 305.853 4.727 30 20 DJED N#CC1(CCSc2ccc3c(c2)OCCCO3)CCCCC1 1559318554 VECPOBYJCKHUPP-UHFFFAOYSA-N 317.454 4.804 30 20 DJED Cc1cc(C#N)cc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c1 1583755210 WMQGJFWYIGMJFN-UHFFFAOYSA-N 320.436 4.736 30 20 DJED Cc1cc(C(F)(F)F)cc(C)c1NC(=O)c1ccc(C#N)s1 1583983150 XDAKSIIOBMOGGO-UHFFFAOYSA-N 324.327 4.508 30 20 DJED C[C@H]1N(C(=O)c2ccc(C#N)c(Cl)c2)c2ccccc2C1(C)C 1617703859 GQVRVUHFBKNNMP-GFCCVEGCSA-N 324.811 4.538 30 20 DJED N#Cc1c(F)cccc1CN1C[C@@H]2CCCC[C@@]21c1ccccc1 1621158516 BCFCHVCFCQKSSV-GHTZIAJQSA-N 320.411 4.599 30 20 DJED CCCC[C@H](COC)Nc1ccc(Oc2ccccc2)c(C#N)c1 1621275816 PLIDEVAIVZZNSC-GOSISDBHSA-N 324.424 4.968 30 20 DJED CC[C@@H](C)c1ccc([C@@H](Nc2cc(C#N)cnn2)C(C)C)cc1 1639204702 POTVBDOZVAGAFE-KUHUBIRLSA-N 308.429 4.671 30 20 DJED C=C(Cl)CN[C@H](Cc1cccc(F)c1)c1cccc(F)c1 1642553562 ZPIAVMMLAXSZLC-QGZVFWFLSA-N 307.771 4.591 30 20 DJED CCc1ccc([C@@H]2CCN([C@H](C)c3ccc(C#N)cc3)C2)cc1 1643247003 SUVYRCFQEPEPLN-IIBYNOLFSA-N 304.437 4.671 30 20 DJED Cc1ccc(N(CCOc2ccccc2C#N)CC(C)C)c(C)c1 1643700632 GMJIURZMEVVMRE-UHFFFAOYSA-N 322.452 4.717 30 20 DJED Cc1cccc(CN(CCC#N)CCC(C)C)c1Br 1644735948 DCHKKDNABBGPRW-UHFFFAOYSA-N 323.278 4.519 30 20 DJED CCO[C@@H]1C[C@H](N(C)CCC2(C#N)CCCCC2)C1(CC)CC 1652781483 WSESZPZGGYJGST-ZWKOTPCHSA-N 320.521 4.766 30 20 DJED CC1(C#N)CCC(NCC2(Cc3ccccc3)CCCC2)CC1 1656005888 PPCAKFYVXJGEIT-UHFFFAOYSA-N 310.485 4.852 30 20 DJED Cc1cccc([C@@H]2CCCN2CCc2ccc(C#N)cc2)c1C 1657380611 IFMOSJYWAGQSHC-NRFANRHFSA-N 304.437 4.555 30 20 DJED Cc1cc(C)c(C(=O)O)cc1C=NNc1ccc(C(C)C)cc1 1776060430 UVDVTIKSHPPMJP-UHFFFAOYSA-N 310.397 4.571 30 20 DJED C=CCCC[C@@H](Nc1nc(C)ccc1C(=O)O)c1ccccc1 1776172091 RYEMUPOWVWCEFJ-QGZVFWFLSA-N 310.397 4.598 30 20 DJED C=CCN(CC=C)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 71797834 SSMMJKKKUUTGFM-UHFFFAOYSA-N 317.841 4.883 30 20 DJED Cc1cccc(C(=O)/C=C/c2cccc(OCCCC#N)c2)c1 102598569 KNXJKJOOJIYQDB-ZHACJKMWSA-N 305.377 4.574 30 20 DJED N#Cc1ccc(Nc2ccc3cc(Br)ccc3c2)nc1 124462437 GVPXDVIIPNZWLZ-UHFFFAOYSA-N 324.181 4.613 30 20 DJED N#CCCCCSCc1cccc(C(=O)Nc2ccccc2)c1 161560538 VNIBYMAMKCKURX-UHFFFAOYSA-N 324.449 4.866 30 20 DJED C[C@H]1C[C@@H]1c1ccc(CN(CCCC(C)(C)C#N)C2CC2)o1 174819661 ZVUSMHWZZPHPQN-YOEHRIQHSA-N 300.446 4.697 30 20 DJED COc1ccc(C=NN=C2c3ccccc3-c3ccccc32)cc1 256294149 GZTGASWTUCDYIK-UHFFFAOYSA-N 312.372 4.547 30 20 DJED CCCCCCCCC(=O)Nc1cccc(C[S@@](C)=O)c1C 265274819 PIMZBDDNNYHAGA-JOCHJYFZSA-N 323.502 4.563 30 20 DJED C[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(-n2cccn2)cc1 301453804 RFODDPSKXUIIDM-ZDUSSCGKSA-N 322.799 4.570 30 20 DJED C[C@@H](Nc1ccc(Nc2ncccc2C#N)cc1)c1ccccc1 301520535 GSGSCAOKKBXEQE-OAHLLOKOSA-N 314.392 4.870 30 20 DJED C[C@H](CNc1cccc(F)c1C#N)c1nc2ccccc2s1 301738372 WDPSWRDSIVEYLQ-LLVKDONJSA-N 311.385 4.523 30 20 DJED Cc1cccc([C@H](Nc2cccc(F)c2C#N)c2ccccn2)c1 301889148 NHWOXDSFAFYLKD-FQEVSTJZSA-N 317.367 4.602 30 20 DJED Cc1c([C@@H](C)Nc2ncc(C#N)cc2Cl)oc2ccccc12 302736147 WUVFURIAJIBVRG-LLVKDONJSA-N 311.772 4.834 30 20 DJED C[C@@H](Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(C#N)cc1 314700486 AIRNGLSFTHOIBQ-SNVBAGLBSA-N 308.278 4.889 30 20 DJED C[C@@H]1CCC[C@](C#N)(/N=C(/O)[C@H]2CCSc3ccccc32)C1 328804644 KJQYEJFFCJXUGV-XUWXXGDYSA-N 314.454 4.695 30 20 DJED Cc1nc(C(C)(C)C)sc1C(O)=Nc1c(C)noc1C1CC1 329788192 ZKELWARTYDNAJF-UHFFFAOYSA-N 319.430 4.559 30 20 DJED Cc1c(Cl)cccc1N/C(O)=N/[C@@H]1CCO[C@@H](CC(C)C)C1 330711597 YCACLXBILNKDGH-KGLIPLIRSA-N 324.852 4.568 30 20 DJED CC(C)c1ncc(C(O)=Nc2ncc(C(C)(C)C)s2)s1 331305231 DLVLTUBFUHZTDU-UHFFFAOYSA-N 309.460 4.657 30 20 DJED C=C[C@H](CC(=O)N1Cc2cccc(Cl)c2C1)c1ccccc1 376331759 BWKSRPXFZFTBID-CQSZACIVSA-N 311.812 4.542 30 20 DJED Cc1c(C#N)cccc1NC(=O)C1(c2cccs2)CCCCC1 432830802 HCCMLOTXGVBCPY-UHFFFAOYSA-N 324.449 4.769 30 20 DJED CCC(CC)n1ccc(CSCc2cc(C#N)ccc2F)n1 433662092 WYLBSOHKFDFFKT-UHFFFAOYSA-N 317.433 4.688 30 20 DJED C=CC[C@H](C(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccccc1 437438201 IQELFBGRNQMCNF-IHPCNDPISA-N 323.411 4.548 30 20 DJED CC(C)(C#N)CCCN1CCC(F)(c2cccc(Cl)c2)CC1 439317036 LZLLFBBTUGUNTN-UHFFFAOYSA-N 322.855 4.931 30 20 DJED C=C[C@@](C)(CC)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 442847494 XUUSRPQTJLOKFU-IRLDBZIGSA-N 319.448 4.763 30 20 DJED N#C[C@@H]1CC[C@H](N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 442865430 IHNFHDNAFYEIHO-RUZUBIRVSA-N 309.240 4.521 30 20 DJED C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1cccc(C2CC2)c1 453244729 FKZCSUQNDCGGJT-ZIAGYGMSSA-N 308.400 4.987 30 20 DJED C[C@@H]1CC=C(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 455508840 CXLASEYYELUTRT-ZIAGYGMSSA-N 314.454 4.623 30 20 DJED CCC1(C(=O)Nc2cccc(OCCCC#N)c2)CCCCC1 460693054 MHUDDEGYSCOJQM-UHFFFAOYSA-N 314.429 4.668 30 20 DJED N#Cc1cc(F)ccc1NCc1ccccc1OC1CCCC1 462792423 WJDLFTYCIGAXPC-UHFFFAOYSA-N 310.372 4.631 30 20 DJED CC(C)c1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1 474091284 WHBCMZGXFXAIFD-UHFFFAOYSA-N 306.409 4.863 30 20 DJED C=CCCCC(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 479557966 VMKCMIZRALFVBN-QGZVFWFLSA-N 319.857 4.963 30 20 DJED C=C(C)[C@@H](NC(=O)N(CCCC)C1CC1)c1ccc(F)c(F)c1 483291672 KKZRGYGNOGPDFP-QGZVFWFLSA-N 322.399 4.556 30 20 DJED Cc1cc(CN[C@@H](C)c2ccc(C(F)(F)F)cc2)ccc1C#N 488157652 MXTJBMJSJSIJKE-ZDUSSCGKSA-N 318.342 4.736 30 20 DJED C=C(C)CCc1noc([C@@H]2C[C@H]2c2c(F)cccc2Cl)n1 508683194 YHSZUXSEQSUAKR-GHMZBOCLSA-N 306.768 4.642 30 20 DJED Cc1c(C#N)cccc1C(=O)Nc1ccccc1-c1ccccc1 509013707 QESYFWFESLXBQC-UHFFFAOYSA-N 312.372 4.786 30 20 DJED CC[C@H](CC1CCCC1)C(=O)Nc1sc(C)c(C)c1C#N 510198348 LRHBSPFHQHDYHB-CQSZACIVSA-N 304.459 4.782 30 20 DJED C=CCN(Cc1csc([C@@H](C)OCC)n1)CC1CCCCC1 523019119 OYMWJYGPKPRMJQ-OAHLLOKOSA-N 322.518 4.809 30 20 DJED CC(C)(C#N)CCN1CCC(Sc2ccc(Cl)cc2)CC1 537361995 DKVXIJMMCRUFAN-UHFFFAOYSA-N 322.905 4.836 30 20 DJED C=CCCC[C@H](C)NC(=O)N(C)[C@H](C)c1cccc(Cl)c1 538290303 PIZJZTPXBDPPMZ-UONOGXRCSA-N 308.853 4.787 30 20 DJED CN(Cc1ccc(CC#N)cc1)Cc1cccc2ccccc12 542210176 QVNDTIINVMBOFM-UHFFFAOYSA-N 300.405 4.538 30 20 DJED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Oc2ccccc2)cc1 549535960 MUVUCOLQOPJPNF-XYJFISCASA-N 306.409 4.822 30 20 DJED C=C(C)C[C@H](C)C(=O)N1CC[C@H](C)C[C@@H]1c1ccccc1OC 553488398 XLEOLSQPQGXTTO-XYJFISCASA-N 315.457 4.597 30 20 DJED N#Cc1ccc(C(F)(F)F)nc1N[C@@H](c1ccccc1)C1CC1 576424809 UJICSNJQLVWAKF-HNNXBMFYSA-N 317.314 4.535 30 20 DJED CCCCN(C(=O)c1ccc(CC#N)cc1)[C@@H]1CCC[C@@H](C)C1 578355336 HJYMEHKCXMTRNJ-VQIMIIECSA-N 312.457 4.574 30 20 DJED C=CCCC(=O)N[C@H](C)c1ccc(OCc2cccc(C)c2)cc1 590023975 GELUFANIEAYVGE-QGZVFWFLSA-N 323.436 4.717 30 20 DJED CC[C@H](C#N)C(=O)Nc1ccc(O[C@@H](C)c2ccccc2)cc1C 593450271 JXTGGJZNENPUMD-JKSUJKDBSA-N 322.408 4.623 30 20 DJED CC[C@H](CC#N)N[C@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 597085671 GUIPCWZQJFLRCM-ZYHUDNBSSA-N 318.770 4.572 30 20 DJED CCC[C@H](C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609063879 DZLPSMITDVWYEG-HNNXBMFYSA-N 322.408 4.512 30 20 DJED CCCn1c(-c2cscc2Cl)nc2cc(C#N)ccc21 611145958 VWQMJFPBPRTLCO-UHFFFAOYSA-N 301.802 4.700 30 20 DJED N#Cc1ccc(CSCCC(F)(F)F)c(Br)c1 611496592 SRHSDEBNDONTMY-UHFFFAOYSA-N 324.165 4.506 30 20 DJED CCC(C)(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 726753741 RFQIKKFXDFOQLG-SFHVURJKSA-N 306.409 4.717 30 20 DJED CC(CSC(C)(C)C)=NNc1ncnc2sc(C)c(C)c12 729635755 LALYDPJVMTWMRQ-UHFFFAOYSA-N 322.503 4.628 30 20 DJED COc1cccc(/C=C2\CSc3c(Cl)cccc3C2=O)c1 731939925 XLDSLOAMDOOLEN-XYOKQWHBSA-N 316.809 4.721 30 20 DJED CCCCCCCC(=O)N1CCSC[C@H]1c1ccccc1 734400161 ZTQBXSFMWLBNJJ-KRWDZBQOSA-N 305.487 4.664 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2ccc(SC(F)F)cc2)cc1 734981255 OZRWDWVSXPXJBQ-BJMVGYQFSA-N 315.344 4.769 30 20 DJED C=C(Cl)CNC(=O)Nc1ccc(Oc2ccccc2)cc1C 736986651 VOEPZSROYFAFAD-UHFFFAOYSA-N 316.788 4.661 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(F)c(F)c2)cc1Cl 741471245 KOJVWEWPOSSUKN-KXFIGUGUSA-N 308.711 4.523 30 20 DJED Clc1ccc(NN=Cc2ccccc2OC2CCCC2)cn1 743449897 CELVJYONFNPAOX-UHFFFAOYSA-N 315.804 4.502 30 20 DJED C[C@@H](NCc1cc(C#N)ccc1F)c1ccc(C(C)(C)C)cc1 743484703 RZVFVDRFYQYRQA-CQSZACIVSA-N 310.416 4.846 30 20 DJED C[C@H](/N=C\c1c(O)ccc2ccccc12)c1cccc(C#N)c1 743501241 HFWHHDKFOVCKJM-CRRPLPBISA-N 300.361 4.597 30 20 DJED Cc1cc(NN=CC(C)(C)CCC#N)nc2ccc(Cl)cc12 755590455 MRIFISWXTRYOSO-UHFFFAOYSA-N 314.820 4.924 30 20 DJED CCSc1ccc(C(=O)/C=C2\COc3ccc(F)cc32)cc1 755605226 XEMMTLQADHZMPA-UKTHLTGXSA-N 314.381 4.596 30 20 DJED C[C@H](C#N)Oc1ccc(-c2nc3cccc(Cl)c3s2)cc1 758454627 OCUFVOFDCRJISU-SNVBAGLBSA-N 314.797 4.908 30 20 DJED O=C(/C=C/c1nc(Cl)cs1)c1cc(Cl)ccc1Cl 759072908 MASTWCHXLKDMNP-ONEGZZNKSA-N 318.612 4.999 30 20 DJED CC(C)O[C@@H]1C[C@@H](/N=C/c2c(O)ccc3ccccc23)C1(C)C 766008293 FFVCULRRPOXTLW-WQQBQYIPSA-N 311.425 4.556 30 20 DJED CC(C)(C#N)CCCCOC(=O)C(C)(C)c1ccc(Cl)cc1 768629006 SWSVWGDUDJLIKN-UHFFFAOYSA-N 321.848 4.881 30 20 DJED CCCCC[C@@H](CC)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 775656193 BRUWVEUUOZPNJE-GOSISDBHSA-N 312.457 4.656 30 20 DJED C[C@H](Nc1cccc(F)n1)c1ccc(-c2cccc(C#N)c2)cc1 782377720 HQGMQBXQNRUFNK-AWEZNQCLSA-N 317.367 4.932 30 20 DJED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3=CCCCC3)n2)cc1 783076849 JUGDCQUZSIZYOB-INIZCTEOSA-N 322.433 4.795 30 20 DJED Cc1cccc(C2(C(=O)OCCCC(C)(C)C#N)CCCC2)c1 783387733 CPZQRXQSSBPBEG-UHFFFAOYSA-N 313.441 4.680 30 20 DJED O=C(/C=C\c1ccc(-c2cccc(F)c2F)o1)c1ccncc1 790209897 ARVIPYOZABGFNP-XQRVVYSFSA-N 311.287 4.516 30 20 DJED CC(C)(C)c1cnc(/C=C\C(=O)c2cccc(F)c2F)s1 790608247 FGJFHRLTMRUEEU-FPLPWBNLSA-N 307.365 4.615 30 20 DJED CC(=NNc1cccc(Cl)n1)c1cc(Cl)sc1Cl 793163191 YTUJNMZOYQMEBP-UHFFFAOYSA-N 320.632 4.939 30 20 DJED C#CCCCCN[C@H](CC)c1cc(Cl)cc(Cl)c1O 806146994 FKLWAIQWCCRCBL-CQSZACIVSA-N 300.229 4.543 30 20 DJED O=C(/C=C\c1ccc(Cl)s1)c1nc2ccccc2s1 834773142 DFLAHOQPVCTEON-ALCCZGGFSA-N 305.811 4.907 30 20 DJED C#Cc1cccc(CN[C@H](C)c2sc(C(C)(C)C)nc2C)c1 834904309 WTBAAUVWDIKKCE-CYBMUJFWSA-N 312.482 4.581 30 20 DJED CC[C@@H](N[C@H](CCC#N)c1ccccc1)c1cccc(C#N)c1 902884665 JWZSDOSPZACLLY-WOJBJXKFSA-N 303.409 4.644 30 20 DJED C=CC[C@H](c1ccccc1)c1nc(CCc2ccccc2)no1 904580257 PCMZDXBRZZGHGS-GOSISDBHSA-N 304.393 4.563 30 20 DJED CCOc1ccc(C(=O)/C=C/c2cc3cccc(OC)c3o2)cc1 916153342 OENGZHFXEVFCJM-VAWYXSNFSA-N 322.360 4.736 30 20 DJED COc1c(Cl)cc(Cl)cc1/C=C\C(=O)c1cccc(O)c1 921261556 LWUSYOLUQBDNSU-WAYWQWQTSA-N 323.175 4.604 30 20 DJED CC(C)C[C@@H](NC(=O)CC1(C#N)CCCCC1)c1ccccc1 1181365167 AMLFPMDUCNZZGZ-GOSISDBHSA-N 312.457 4.754 30 20 DJED CC(C)[C@H]1N(c2nc(C(C)(C)C)ccc2C#N)CC12CCCC2 1186689753 XKKMXFKSUFSZQJ-QGZVFWFLSA-N 311.473 4.656 30 20 DJED Cc1ccccc1[C@@H](C)CC(=O)O[C@H](C)c1ccc(C#N)cc1 1265620746 SRSIMSDELPMNJE-JKSUJKDBSA-N 307.393 4.665 30 20 DJED N#Cc1c(Cl)nsc1Nc1ccc2c(c1)CCCCC2 1307157839 UVOULMONEYZXQA-UHFFFAOYSA-N 303.818 4.681 30 20 DJED CC[C@@H](Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(C)cc1 1322502178 HRXOKVWRLJEDIG-INIZCTEOSA-N 317.392 4.653 30 20 DJED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1OC(C)C 1434887701 PAGNVRJJUXEVPQ-CVEARBPZSA-N 314.429 4.500 30 20 DJED CC1(C)CCCC[C@@H]1CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 1458254198 PHJXVTKFTSWLLR-GOSISDBHSA-N 324.468 4.656 30 20 DJED CC[C@@H](C)[C@@H](C(=O)O[C@H](C)c1cccc(C#N)c1)c1ccccc1 1516898191 CYFJPVZNROMABW-JXXFODFXSA-N 321.420 4.992 30 20 DJED CC[C@H](C)[C@H](C)NC(=O)c1ccccc1Oc1ccccc1C#N 1530089241 ZLPHXBXSAQBDFN-GJZGRUSLSA-N 322.408 4.515 30 20 DJED Cc1c(Cl)cnc(N2CC[C@H](C)C3(CCCCC3)C2)c1C#N 1559171785 GXXYTCWXPVUTCF-ZDUSSCGKSA-N 317.864 4.712 30 20 DJED CCCN(Cc1ccc(C#N)cc1OC)c1ccc(Cl)cc1 1559621724 FUMUCMZWCQZUKC-UHFFFAOYSA-N 314.816 4.637 30 20 DJED C[C@@H]1CC(C)(C)CN1C(=O)Nc1scc(C(C)(C)C)c1C#N 1562851267 RESBPXYLPBFVKC-LLVKDONJSA-N 319.474 4.570 30 20 DJED CCn1c2ccccc2c2cc(Nc3cccc(C#N)n3)ccc21 1641972967 BJTOBTLTNRBAPN-UHFFFAOYSA-N 312.376 4.825 30 20 DJED CCCC[C@H](NCc1cc(Cl)ccc1OCC#N)C1CCC1 1642667610 IMMHTWLBBIQFTE-KRWDZBQOSA-N 320.864 4.691 30 20 DJED C[C@@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CCS1 1642710493 OCJJXSZHPQGGIS-MRXNPFEDSA-N 322.477 4.553 30 20 DJED CC(C)c1nc(NCC2CCC(C#N)CC2)cc(C(C)(C)C)n1 1651004682 FNVFBDUDSXRCTJ-UHFFFAOYSA-N 314.477 4.639 30 20 DJED COc1cccc(CSc2nc(C)cc(C)c2C#N)c1Cl 1651583925 JLEOVEBLFJGKML-UHFFFAOYSA-N 318.829 4.524 30 20 DJED CO[C@@H](CSc1ccc(Cl)cc1C#N)Cc1ccccc1 1651842152 CURNOEXYMIWIAV-MRXNPFEDSA-N 317.841 4.561 30 20 DJED COc1ccc(C#N)cc1N[C@@H]1CCC[C@H](C(C)(C)C)CC1 1652158739 KZDCHVRYEKNIDN-JKSUJKDBSA-N 300.446 4.974 30 20 DJED Cc1cc(Cl)cc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 1658146092 LXQRBBNAOWPXQY-LJQANCHMSA-N 310.828 4.687 30 20 DJED C=CCn1c(S[C@@H](C)c2cccc(Cl)c2)nnc1C1CC1 60423860 UXYRXYSJCDJIRO-NSHDSACASA-N 319.861 4.848 30 20 DJED CCCCCCNC(=O)Nc1ccccc1SC[C@H](C)C#N 78573174 QFORZDPCNKHAHS-CQSZACIVSA-N 319.474 4.640 30 20 DJED Cc1ccccc1[C@@H]1C[C@H]1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 80452113 UQGXFGAQGVJIJV-ARFHVFGLSA-N 324.449 4.555 30 20 DJED O=C(/C=C/c1cncs1)c1ccc(Cl)c(Cl)c1Cl 129896447 WXBAMFRKBTUWSK-DAFODLJHSA-N 318.612 4.999 30 20 DJED C/C(=C\C(=O)Nc1ccccc1SCCC#N)c1ccccc1 170971075 QKZXKYGXFJGWJF-CCEZHUSRSA-N 322.433 4.734 30 20 DJED N#Cc1cccc(CNc2ccc(Br)c(Cl)c2)c1 227596054 QBLURILXKVOKPY-UHFFFAOYSA-N 321.605 4.586 30 20 DJED Cc1cccc(-c2cccc(CNCc3ccc(C#N)cc3)c2)c1 237814556 MDIGJLCXQPLBDL-UHFFFAOYSA-N 312.416 4.824 30 20 DJED O=C1/C(=C\c2cncs2)CCc2cc(SC(F)F)ccc21 255913770 BSVLEDKDLRFXMM-POHAHGRESA-N 323.389 4.670 30 20 DJED CC[C@H](N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(C#N)cc1 278680571 JVODBUSWQYSXIV-PCCBWWKXSA-N 320.436 4.519 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CC=CC[C@H]1C 283793240 ALUWMSKZYLTXKM-RBSFLKMASA-N 314.454 4.622 30 20 DJED Cc1ccc(C(=O)/C=C/C=C/c2ccccc2[N+](=O)[O-])cc1C 303122227 NLQRXTJLWTWROM-GZFKCFCKSA-N 307.349 4.664 30 20 DJED Cc1nc(CC2CC2)oc1/C(O)=N/[C@H]1CC(C)(C)c2ccccc21 329991504 ADNYMNVPIFFXAN-INIZCTEOSA-N 324.424 4.663 30 20 DJED Cc1nc(C(C)(C)C)sc1C(O)=Nc1cccc(C#N)c1C 331208350 VVEXBLRESILSTL-UHFFFAOYSA-N 313.426 4.565 30 20 DJED Cc1ccc([C@@H]2CCCCCN2C(=O)c2cccc(C#N)c2C)o1 337866669 OJXVQTWDNIJSDK-SFHVURJKSA-N 322.408 4.526 30 20 DJED C=CCC1(C(=O)N2CCC[C@H](CC(F)(F)F)C2)CCCCC1 421962570 MCZYDCHSXXKDTA-CQSZACIVSA-N 317.395 4.704 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(SC(C)C)cc1 436305900 IGFQJKDLDOMRBB-SUMDDJOVSA-N 319.514 4.819 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1ccccc1-c1csc(C)n1 439423313 SAQISVCWFZCHAA-CYBMUJFWSA-N 315.442 4.595 30 20 DJED CC1(C#N)CCC(NCc2ccc(OC3CCCC3)cc2)CC1 449227162 SUFWSSBWBYVJKX-UHFFFAOYSA-N 312.457 4.570 30 20 DJED C=CC[C@H](CC)NC(=O)c1c(Cl)cc(Cl)cc1Cl 451621545 BYUTZPRORZSHDO-VIFPVBQESA-N 306.620 4.731 30 20 DJED CCSCc1cccc(Nc2ncc(C#N)cc2Cl)c1 462886838 VKSLIEQZDNRLON-UHFFFAOYSA-N 303.818 4.603 30 20 DJED N#C[C@@H]1CCC[C@H](NCCc2cccc(-c3ccccc3)c2)C1 463240030 HPEXBXSSDXQMMU-NQIIRXRSSA-N 304.437 4.568 30 20 DJED Cc1ccc(Cl)c(NC(=O)[C@H](C)c2cccc(C#N)c2)c1C 464461160 MJVMISJOAQGZHC-CYBMUJFWSA-N 312.800 4.571 30 20 DJED CC(C)[C@@H]1CCC[C@@H](NCc2cccc(OCCCC#N)c2)C1 504164338 WPJTUNDBBZWVQF-RTBURBONSA-N 314.473 4.674 30 20 DJED CC(C)[C@H](Nc1nc(C(F)(F)F)ccc1C#N)c1ccccc1 522408818 UGMFFMPSFFMHLQ-HNNXBMFYSA-N 319.330 4.781 30 20 DJED C=CCN(C(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccccc1 524101324 PTFMFJBVOPPMGX-UHFFFAOYSA-N 324.811 4.583 30 20 DJED N#CCCCN[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 538320584 NZZPPQATXUDEKK-AWEZNQCLSA-N 316.754 4.703 30 20 DJED C=CCCC[C@@H](C)NC(=O)N(CC)[C@H](C)c1ccc(F)cc1 538368333 BTAFCOLHFQOIQW-HUUCEWRRSA-N 306.425 4.663 30 20 DJED C=CCN(C(=O)Nc1ccccc1COC(C)(C)CC)C1CC1 541789112 GHNWOLAZOIZAOX-UHFFFAOYSA-N 316.445 4.574 30 20 DJED C[C@@H](N[C@H](C)c1ccc2c(c1)CCCC2)c1ccc(C#N)c(F)c1 546165783 DFQUDKNJAYXEKU-HUUCEWRRSA-N 322.427 4.988 30 20 DJED C=CCC[C@@H](NCc1ccccc1N(C)C(C)C)c1ccco1 576048821 SBJZNUGNGWDGRP-GOSISDBHSA-N 312.457 4.921 30 20 DJED Cc1cccc([C@H](NC(=O)CCCCCC#N)C(C)(C)C)c1 588639800 LTXPWELJPYCMDT-SFHVURJKSA-N 300.446 4.673 30 20 DJED Cc1ccc(C[C@@H](C#N)Sc2ccc(C(F)(F)F)cn2)cc1 589167078 KUUJQPZVECCFGD-AWEZNQCLSA-N 322.355 4.636 30 20 DJED N#CCC[C@H](N[C@@H]1CCc2c(F)cc(F)cc21)c1ccccc1 611336999 BRBCQNHANNLMQN-RBUKOAKNSA-N 312.363 4.587 30 20 DJED N#Cc1cc(Cl)ccc1CNC1(c2ccc(F)cc2)CCC1 614173458 WAECSMPSCCCRLI-UHFFFAOYSA-N 314.791 4.520 30 20 DJED C=CCCC(C)(C)NC(=O)Nc1cnn([C@H](C)CC)c1C1CC1 666471722 AQULFBZRCJNQCZ-CYBMUJFWSA-N 318.465 4.598 30 20 DJED COc1ccccc1/C=C/C(=O)c1ccc(-c2ccncc2)cc1 745989987 JEKFMTSQPGJEDE-ZHACJKMWSA-N 315.372 4.653 30 20 DJED CCN(CC)c1ccc(C=Nc2cccc(C(F)F)c2)c(O)c1 750949966 LGYFQKABSNFMTJ-UHFFFAOYSA-N 318.367 4.927 30 20 DJED CCCCCCCC(=O)N1CCC(n2c(C)ccc2C)CC1 751410441 ILZZSDDZGZIVNG-UHFFFAOYSA-N 304.478 4.629 30 20 DJED O=C(/C=C/c1coc(-c2ccccc2)n1)c1cc(F)ccc1F 757474958 OVTSNUQWQDLURV-VQHVLOKHSA-N 311.287 4.516 30 20 DJED C#CCCCCNC(=O)c1c2ccccc2cc2ccccc12 759096193 XBJQRDMZAYXJJU-UHFFFAOYSA-N 301.389 4.526 30 20 DJED CCn1nc(/C=C2\Cc3ccc(Cl)cc3C2=O)c2ccccc21 769747163 WUJOFWHVSYAXRL-JLHYYAGUSA-N 322.795 4.532 30 20 DJED O=C1C/C(=C/c2csc3ccccc23)C(=O)c2ccccc2N1 774141150 KTXXIBQPKADQMH-XFXZXTDPSA-N 319.385 4.510 30 20 DJED CC[C@@H](Nc1ccc(OC)c2cccnc12)c1ccc(C#N)cc1 774356261 OVRIBBBBNCWUGW-QGZVFWFLSA-N 317.392 4.678 30 20 DJED C=CCCOCCCCC(=O)Oc1c(Cl)cccc1Cl 776181092 TTXWDAXAXAGAKT-UHFFFAOYSA-N 317.212 4.662 30 20 DJED C[C@@H](Nc1ccccc1OCC(F)F)c1ccc(C#N)c(F)c1 777161595 OHOGYTSOKQECNJ-LLVKDONJSA-N 320.314 4.514 30 20 DJED C=CCCCC[C@H](C)NC1CCC(NC(=O)OC(C)(C)C)CC1 779107343 ZRQQYUISJSFGHL-GTPINHCMSA-N 324.509 4.547 30 20 DJED CC/C(C)=C(/C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 779932266 ZBBMCHPVLCZMEL-BSHRGCEOSA-N 302.443 4.766 30 20 DJED CCCCCCCC[S@@](=O)Cc1cc(-c2ccccc2)no1 790133554 CRIGHSWXFIZEGG-JOCHJYFZSA-N 319.470 4.951 30 20 DJED O=C1/C(=C/c2ccsc2Cl)CCOc2cc(F)ccc21 790222625 CJCPAAJFWWUHEG-VQHVLOKHSA-N 308.761 4.589 30 20 DJED C=CCCCCC[C@@H](C)N[C@@H](CC)c1nnc2n1CCCCC2 793529931 YQFGNXZFMUXWPL-SJORKVTESA-N 318.509 4.570 30 20 DJED O=C(/C=C\c1cc(F)c(F)cc1F)c1c(F)cccc1Cl 809159425 PJXBXLKWSLJLJI-PLNGDYQASA-N 314.665 4.793 30 20 DJED C=CCC(F)(F)C(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 815745988 UFAFGFZCBTWQHL-NWDGAFQWSA-N 315.791 4.502 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)C2[C@H]3CCCCCC[C@H]23)n1 850874224 WLBBMESTZKBZCS-MELADBBJSA-N 316.470 4.659 30 20 DJED O=C(/C=C\c1ccc(Br)cc1F)c1cccc(F)c1 916134585 RDTDNYBBWODQQU-ALCCZGGFSA-N 323.136 4.623 30 20 DJED O=C(/C=C\c1cc(Br)ccc1F)c1ccccc1F 916135717 KRQHZTWVNBKABI-YVMONPNESA-N 323.136 4.623 30 20 DJED CCCCCCCCC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 917700627 MLMOXRCUQFQXJK-CQSZACIVSA-N 306.406 4.523 30 20 DJED CCc1nc2ccccc2n1N=Cc1c[nH]c2cc(Cl)ccc12 918711331 VMRGVWBXXMGKBU-UHFFFAOYSA-N 322.799 4.616 30 20 DJED CN(Cc1ccccc1N=Cc1ccccc1O)C1CCCCC1 920942206 QZZVCLRACISVOU-UHFFFAOYSA-N 322.452 4.907 30 20 DJED CC[C@@](C)(C#N)C(=O)NCC1(C2CCCCC2)CCCCC1 1127617652 MULWVGWKSDBLJS-SFHVURJKSA-N 304.478 4.573 30 20 DJED CCc1ccc(-c2ccc(C(=O)O[C@H]3CCC[C@H](C#N)C3)o2)cc1 1129725429 VMEOESJYTULUGB-RDJZCZTQSA-N 323.392 4.748 30 20 DJED C[C@H]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)[C@H]1C 1167631667 WSEOGNXSEXMEQP-OALUTQOASA-N 318.464 4.617 30 20 DJED N#C[C@H]1CC[C@@H](N[C@H]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 1206376620 KPDQDQALCUNEFE-VYHVBIQSSA-N 323.267 4.911 30 20 DJED CCC(C)(C)NC(=O)c1ccc(Sc2ccccc2C#N)cc1 1264178342 AVGVWSDEBFPXAF-UHFFFAOYSA-N 324.449 4.628 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)Nc1ccc(F)c(C#N)c1 1264923728 PMDZDJWIZPHVEZ-AWEZNQCLSA-N 302.393 4.632 30 20 DJED C[C@H](Nc1ncc(C#N)cc1F)c1ccc(Cl)c(Cl)c1 1307077737 QZLCZQFIFJNPFZ-QMMMGPOBSA-N 310.159 4.572 30 20 DJED Cc1ccc2c(c1F)N(CCC1(C#N)CCCCC1)CCC2 1307824776 QWFCIQDUVJHPAU-UHFFFAOYSA-N 300.421 4.751 30 20 DJED CCCOc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1C 1308829781 MWJFSSZERSNWFK-KRWDZBQOSA-N 322.452 4.849 30 20 DJED O=C(/C=C\c1ccc(-c2ccccc2)s1)c1cncc(F)c1 1328984013 GGSCLOYABUYQHF-VURMDHGXSA-N 309.365 4.845 30 20 DJED CC(C)(C)c1ccc(NN=C2CCC(c3ccccc3)CC2)nn1 1339230250 INQOUECZMPGMQA-UHFFFAOYSA-N 322.456 4.900 30 20 DJED CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C#N)c(Cl)c1 1358232743 VJPXFORHZAXIHN-HOCLYGCPSA-N 318.848 4.546 30 20 DJED Cc1csc(NC(=O)c2ccc(C(C)C)c(Cl)c2)c1C#N 1436192615 RQBDIXHNTDQDGA-UHFFFAOYSA-N 318.829 4.957 30 20 DJED CCC[C@H](C(=O)O[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 1457189424 CJXWCANXSRZIIY-KXBFYZLASA-N 307.393 4.746 30 20 DJED C[C@@H](OC(=O)CCC(C)(C)c1ccccc1)c1ccc(C#N)cc1 1457193612 SHCIWHQDYSQNEJ-MRXNPFEDSA-N 321.420 4.920 30 20 DJED Cc1nnc(Sc2ccc(-c3ccccc3)cc2)c(C#N)c1C 1458112681 HPWQLXSXVCKUDT-UHFFFAOYSA-N 317.417 4.783 30 20 DJED CCC1(CC)CN(c2nc(C#N)c(Cl)s2)c2ccccc21 1458264974 AMNCYTKWDUGAFZ-UHFFFAOYSA-N 317.845 4.878 30 20 DJED CN(CCc1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1c1ccccc1 1460247464 NGVCIAUHBWZBRH-FGZHOGPDSA-N 318.464 4.759 30 20 DJED CC(C)[C@H]1CC[C@H](C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 1460983438 OEQJZPVSCJUNJN-ZWOKBUDYSA-N 324.468 4.514 30 20 DJED C[C@@H](c1ccc(Cl)cc1)[C@@H](C)NCc1cc(C#N)ccc1F 1462588179 SMBUIXDOKPKWBJ-CHWSQXEVSA-N 316.807 4.633 30 20 DJED Cc1ccc2c(c1)CC[C@@H]2Nc1nc(C(C)(C)C)ccc1C#N 1472667585 GJMMJWSBXRQDEF-KRWDZBQOSA-N 305.425 4.659 30 20 DJED CC(C)(CC(=O)Nc1ccc(F)c(C#N)c1)C1CCCCC1 1520422181 HCNHFLHWJMIOBA-UHFFFAOYSA-N 302.393 4.632 30 20 DJED CC[C@@H](C#N)[C@H](OC(=O)c1coc(SC)c1)c1cccs1 1525978922 UXJIJRCRMRRLEW-HZMBPMFUSA-N 321.423 4.511 30 20 DJED N#Cc1ccc(C2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 1561026492 GFUDHPPPGNKVLY-FGZHOGPDSA-N 316.448 4.541 30 20 DJED CCOc1ccccc1CSc1nc2c(cc1C#N)CCCC2 1640827056 VQQYUQAHRMDXKL-UHFFFAOYSA-N 324.449 4.523 30 20 DJED Cc1ccc([C@H]2CCC[C@H]2N(C)Cc2ccc(C#N)cc2F)cc1 1651738486 ZGMYISGJWWVRLF-TZIWHRDSSA-N 322.427 4.774 30 20 DJED CC(C)(C)c1ccc(C2CCN(c3ccc(C#N)cn3)CC2)cc1 1655496161 BCPRQKODTWPEDU-UHFFFAOYSA-N 319.452 4.635 30 20 DJED CC(C)CC[C@@H]1CC[C@@H](NCc2ccc(C#N)c(Cl)c2)C1 1656146951 ZDIDZRMRCIWAJW-RHSMWYFYSA-N 304.865 4.906 30 20 DJED Cc1cc(F)c(C(F)(F)F)cc1N[C@@H]1CCC[C@H](C#N)C1 1659946551 NOYZUENFGCTAJH-WDEREUQCSA-N 300.299 4.647 30 20 DJED CN(C(=O)Nc1cc(F)cc(C#N)c1)c1ccc2ccccc2c1 1664072285 RRNWCMNQAHLFPI-UHFFFAOYSA-N 319.339 4.519 30 20 DJED C=CCn1c(SCCCCC)nnc1-c1ccc(F)cc1 59883392 JQJVSEMFCQYBBJ-UHFFFAOYSA-N 305.422 4.553 30 20 DJED C[C@@H](Nc1ccc(CC#N)cc1)c1ccc(C(F)(F)F)cc1 78991362 JXTQSZZFVIXOOY-GFCCVEGCSA-N 304.315 4.945 30 20 DJED N#Cc1ccccc1CN[C@H](c1ccccc1)c1cccc(F)c1 88536814 BEZIKKFYYLRKGQ-OAQYLSRUSA-N 316.379 4.577 30 20 DJED C/C=C(\C=C\C(=O)Nc1ccccc1SC[C@@H](C)C#N)CC 120342981 LUQXIEXWGWVPGY-ZGKPGLJGSA-N 314.454 4.789 30 20 DJED Cc1nnc(SCCCC(C)(C)C#N)n1[C@@H]1CCC[C@H](C)C1 127586176 CBLFMJWXZGPEQT-DZGCQCFKSA-N 320.506 4.760 30 20 DJED CCC[C@H](NCc1ccc(O[C@H](C)C#N)cc1)c1ccccc1 171562830 ZZZYDBXBQIRFNB-UZLBHIALSA-N 308.425 4.608 30 20 DJED C=CCCCC(=O)N(Cc1cccs1)Cc1cccs1 175124575 OBEQIIIEHCDMSA-UHFFFAOYSA-N 305.468 4.695 30 20 DJED C#CCCCC(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1 192135741 GFCZUTYWXYIKEM-CYBMUJFWSA-N 323.358 4.561 30 20 DJED CC(C)CCC[C@H](C)Nc1ccc(C#N)c(Br)c1 228180913 QOVOXVXEHGANHB-LBPRGKRZSA-N 309.251 4.947 30 20 DJED C[C@@H](CCc1ccccc1)Nc1cccc(OCCCC#N)c1 237346118 GBMURXPQRDRFKU-KRWDZBQOSA-N 308.425 4.802 30 20 DJED C=C(C)CN(CC)C(=O)CSc1cc(Cl)ccc1Cl 255937295 IGURLSJFSSBYAD-UHFFFAOYSA-N 318.269 4.510 30 20 DJED N#CCOc1cccc(N[C@@H]2CCCC[C@@H]2c2ccccc2)c1 319957048 UZOSBKYRBNUXGP-WOJBJXKFSA-N 306.409 4.727 30 20 DJED CC[C@@H](CC(C)C)C(=O)Nc1ccccc1SCCC#N 410460915 YTSZOVREOHPTRZ-AWEZNQCLSA-N 304.459 4.703 30 20 DJED C[C@H](c1ccc(Oc2ccccc2)cc1)[S@@](=O)CCCC#N 417175561 BDSUUDIMQYNSOH-QRQCRPRQSA-N 313.422 4.592 30 20 DJED C=CC[C@@H](C)[C@H](C)NCc1nc(-c2ccccc2F)cs1 428440178 RVOWCPVQMLEBJE-OLZOCXBDSA-N 304.434 4.640 30 20 DJED CC(C)(CCC#N)CN[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 449330422 LCSJBXFUUJWEIE-WBVHZDCISA-N 304.865 4.896 30 20 DJED CC#CCCCC(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 464566787 CCOHPNGYUKSAFJ-JTQLQIEISA-N 316.203 4.503 30 20 DJED CCN(CCCC(C)(C)C#N)Cc1ccccc1Br 472430782 JLJQVUDBONAVBT-UHFFFAOYSA-N 323.278 4.601 30 20 DJED C[C@H](N[C@H]1CC[C@@H](c2ccccc2F)C1)c1cccc(C#N)c1 481719756 CYMGQXOBXFYMGH-QGTPRVQTSA-N 308.400 4.684 30 20 DJED CC(C)Oc1ccc(/C=C/c2nc3ccccc3n2CC#N)cc1 486100585 FZHJJBSURHLBAV-FMIVXFBMSA-N 317.392 4.517 30 20 DJED C=CC[C@H](C)[C@H](C)NCc1ccnc(Oc2ccccc2F)c1 494460540 ZMUIEQXZIYZPQK-GJZGRUSLSA-N 314.404 4.703 30 20 DJED C=CCOc1ccc(C(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1 497912488 FOHFAELMOYHODG-HXUWFJFHSA-N 321.420 4.537 30 20 DJED CC(C)c1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1 504525467 ZATJRYJPNRPSFS-UHFFFAOYSA-N 324.399 4.737 30 20 DJED C=CCC(C)(C)C(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 504978564 GQASCPGGMURUEI-GFCCVEGCSA-N 313.363 4.527 30 20 DJED CCc1ccc(CCSCCCC2(C#N)CCOCC2)cc1 507692959 DLMDURCHAXYLKM-UHFFFAOYSA-N 317.498 4.625 30 20 DJED C=CCOc1ccccc1CNCc1c(CC)oc2ccccc12 521378283 BWHCJMJCIBIPJF-UHFFFAOYSA-N 321.420 4.850 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc(F)cc1Cl)c1ccccc1 534703632 BFPWKBRGWAPKKS-LBPRGKRZSA-N 303.764 4.778 30 20 DJED C=C[C@@H](CC(=O)Nc1ccccc1OC(C)C)c1ccccc1 535359742 TXWLMQYHBQRMAZ-INIZCTEOSA-N 309.409 4.772 30 20 DJED C=C[C@@H](CC(=O)Nc1ncc(C(C)C)s1)c1ccccc1 536182193 ARPIXPLAMLDTNG-ZDUSSCGKSA-N 300.427 4.565 30 20 DJED N#CCCCN[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl 542321377 HZIVATGIHWWJCE-KRWDZBQOSA-N 319.235 4.976 30 20 DJED CC(C)(C#N)CCCOc1ccc(OCC2CC2)c(Cl)c1 549058783 AYKDMEVQBRIQLA-UHFFFAOYSA-N 307.821 4.838 30 20 DJED N#Cc1cccc(CNC2(c3ccc(Cl)cc3)CCC2)c1F 551747669 FMVMYHRIQMXGSF-UHFFFAOYSA-N 314.791 4.520 30 20 DJED CC(C)N(CCOC1CCCCCC1)Cc1ccc(C#N)cc1 610132688 YJYUXUJHWDSTMT-UHFFFAOYSA-N 314.473 4.508 30 20 DJED CCCCc1ccc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)cc1 647373316 FUAYJPMPBAPWLA-MRXNPFEDSA-N 324.449 4.853 30 20 DJED C=CC[C@@H](CC)NC(=O)[C@@H](C)c1c(Cl)cccc1Cl 684938657 FMLLNBWRNYXTDH-WDEREUQCSA-N 300.229 4.568 30 20 DJED CCC(C)(C)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 726858651 POYOCAGSUOEQBH-AWEZNQCLSA-N 312.438 4.731 30 20 DJED C=CCN(Cc1cccs1)C(=O)/C=C\Sc1ccccc1 728172504 XUGLDJBGUPCLAN-RAXLEYEMSA-N 315.463 4.569 30 20 DJED CC(C)C(=NNc1oc(C(C)C)nc1C#N)C1CCCCC1 733901454 OXGBILNYIYFSBW-UHFFFAOYSA-N 302.422 4.674 30 20 DJED Cc1ccc(N(CCC#N)C(=O)C[C@H](C)c2cccc(F)c2)cc1 734811557 JJOCSBYOXUJLPI-INIZCTEOSA-N 324.399 4.575 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2cccc(Cl)c2Cl)cc1 734979957 GFVFSYADIDSSGM-CMDGGOBGSA-N 302.160 4.761 30 20 DJED C=CC[C@H](NC(=O)C[C@H](C)c1ccc(CC)cc1)c1ccncc1 737855508 VWVOWWIFJIVGNN-JXFKEZNVSA-N 322.452 4.571 30 20 DJED C=C(C)CCOC(=O)c1cnc(-c2ccc(C)cc2C)s1 744304090 DHLKPQPKQOMYTH-UHFFFAOYSA-N 301.411 4.550 30 20 DJED CC(=NNc1ccc(Cl)c(C(=O)O)c1)[C@H](C)c1ccccc1 746366805 QNDJZKGCEGPYPU-NSHDSACASA-N 316.788 4.630 30 20 DJED N#Cc1ccccc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1 755568626 CDZCVTKBZJTDNB-SOFGYWHQSA-N 302.160 4.761 30 20 DJED CC(=NNc1ccccc1Cl)c1nc2c(s1)CCCC2 761255975 XJKSVSPCBHMYTD-UHFFFAOYSA-N 305.834 4.511 30 20 DJED O=C1/C(=C\c2csc(Cl)c2Cl)Cc2c(O)cccc21 761476723 JZHKDCKVDUIIIO-DAXSKMNVSA-N 311.189 4.583 30 20 DJED C=CC[C@@H](NCc1csc(Cl)c1Cl)c1ccncc1 762442995 LRPSDHJTYKKASQ-GFCCVEGCSA-N 313.253 4.857 30 20 DJED FC(F)(F)CON=Cc1ccc(-c2ccccc2Cl)o1 764846036 DKNYKDIHBNZNJW-UHFFFAOYSA-N 303.667 4.513 30 20 DJED COc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1OC1CCCC1 765921953 UFYHZRSABRFQGA-LSDHHAIUSA-N 314.429 4.511 30 20 DJED CC(C)(C#N)CCCCOC(=O)c1cccc(Cl)c1Cl 768371498 IUIMVPFCTJMFPO-UHFFFAOYSA-N 314.212 4.870 30 20 DJED CC[C@H](CC#N)OC(=O)c1cc(-c2ccccc2)ccc1Cl 787088429 JTRLFSZFRUBBSA-OAHLLOKOSA-N 313.784 4.856 30 20 DJED CC(/C=C\C(=O)c1ccc(C)s1)=C/c1cccc([N+](=O)[O-])c1 787170108 SJIICHVRZXNLJJ-CQSVFKTNSA-N 313.378 4.807 30 20 DJED CC[C@@](C)(NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 793461601 ZXUDAPMZBDPJLM-OAQYLSRUSA-N 320.436 4.543 30 20 DJED C=CCC[C@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1ccco1 796880533 FJJBWUVVIUDANS-ROUUACIJSA-N 313.397 4.567 30 20 DJED N#CCCCCCC(=O)Nc1cccc(C2SCCS2)c1 805156501 XZGSCFXTQCESJG-UHFFFAOYSA-N 320.483 4.578 30 20 DJED CC(C)c1nc(C(=O)/C=C/C=C/c2ccc(F)cc2F)co1 806559802 FRJIYMCTQKNPHV-GGWOSOGESA-N 303.308 4.529 30 20 DJED CC(=O)Nc1ccc(C(C)=NNc2c(C)cccc2C(C)C)cc1 812233293 UWMOUOCVFINFLA-UHFFFAOYSA-N 323.440 4.913 30 20 DJED Cc1cc2ccccc2nc1NN=C1CCC[C@@H]1C(C)(C)C#N 814896358 UUQHDZLYHISDIA-HNNXBMFYSA-N 306.413 4.661 30 20 DJED CC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 835388872 XHIQALHLXIJALK-QWHCGFSZSA-N 306.475 4.689 30 20 DJED N#C[C@H](C(=O)CC/C=C\c1ccccc1)c1nc(C2CC2)cs1 842943885 ZRDKYUKEKPWVPR-LWAXHKBTSA-N 322.433 4.690 30 20 DJED Cc1c(CSC(C)C)cccc1NCc1cc(C#N)ccn1 901395401 RPNQKPUIUROBRV-UHFFFAOYSA-N 311.454 4.515 30 20 DJED CC[C@@H](NCc1ccc2[nH]c(C)cc2c1)c1cccc(C#N)c1 902987383 HHIAIAXASMHXNL-LJQANCHMSA-N 303.409 4.589 30 20 DJED C[C@H](Cc1ccc(C#N)cc1)c1nc(C2CCCCCC2)no1 904688140 PEIMDEXYPQPKCF-CQSZACIVSA-N 309.413 4.725 30 20 DJED C[C@H](Nc1cccc(CC#N)n1)c1cc(F)c(Cl)cc1Cl 1116636197 FXNFADJEZPOHFV-VIFPVBQESA-N 324.186 4.767 30 20 DJED C[C@@H](CCC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccccc1 1125262915 DMNFDXCWUCXOAK-HNNXBMFYSA-N 323.440 4.637 30 20 DJED CCOc1cccc([C@H](CC)OC(=O)c2cc(C#N)ccc2C)c1 1126796561 ZZVDVBUKTNYKAD-IBGZPJMESA-N 323.392 4.574 30 20 DJED CC1(C)CCCN(CCc2cc(Cl)cc(Cl)c2)[C@@H]1C#N 1170014149 QCUBOFIEBWLXRA-OAHLLOKOSA-N 311.256 4.550 30 20 DJED N#CCC1CCN(Cc2cccc(Oc3ccc(F)cc3)c2)CC1 1233208429 CIUQIJJGNRHPTQ-UHFFFAOYSA-N 324.399 4.744 30 20 DJED CCCCN(C(=O)c1cccc(C#N)c1C)[C@H]1CCC[C@@H](C)C1 1274266569 MJIKIAVHBBFXBY-QAPCUYQASA-N 312.457 4.688 30 20 DJED C[C@H](Nc1cccc(C#N)n1)C(c1ccccc1)c1ccccc1 1306918491 PORMOLRADOSMFE-INIZCTEOSA-N 313.404 4.586 30 20 DJED N#Cc1cccc(CN2C[C@H]3CCCC[C@@]32c2ccccc2)c1F 1307534366 JDVNUKAFGGGEPI-TZIWHRDSSA-N 320.411 4.599 30 20 DJED Cc1cc(C#N)ccc1CN1CCC(c2ccccc2C)CC1 1307668174 BWDNPSXMEVDOHB-UHFFFAOYSA-N 304.437 4.555 30 20 DJED Cc1ccc(C#N)cc1NC(=O)NCC(C)(C)C1CCCCC1 1310382177 KWXAGKLIYJRLOB-UHFFFAOYSA-N 313.445 4.595 30 20 DJED CC1(C)[C@H](c2ccccc2)C[C@H]1Nc1ccc(OCC#N)cc1 1325557868 GUISYWKJTJGGMD-RBUKOAKNSA-N 306.409 4.583 30 20 DJED CC1(CCC(=O)Nc2sc3c(c2C#N)CCCCCC3)CC1 1354726079 NSCBKKJHFBBQDJ-UHFFFAOYSA-N 316.470 4.798 30 20 DJED C[C@H](OC(=O)C1(Cc2ccccc2)CCC1)c1cccc(C#N)c1 1457758881 FTIQFBKLRKPZSZ-INIZCTEOSA-N 319.404 4.575 30 20 DJED Cc1cc(C#N)ccc1CN1Cc2cccc(C)c2CC1(C)C 1460138672 JIGXJRZZBBXQAX-UHFFFAOYSA-N 304.437 4.512 30 20 DJED N#Cc1ccnc(CN[C@H](CC2CCCCC2)c2ccccc2)c1 1473342064 IJGPBXHTOGWERP-OAQYLSRUSA-N 319.452 4.755 30 20 DJED C[C@@H]1CCc2sc(NC(=O)c3cccs3)c(C#N)c2[C@@H]1C 1527535765 MUJHEHKVIMUPQR-NXEZZACHSA-N 316.451 4.619 30 20 DJED CCC(C#N)(CC)C(=O)Nc1ccc(-c2ccccc2)c(C)c1 1536384350 YDMFRNKBZFBHKY-UHFFFAOYSA-N 306.409 4.931 30 20 DJED Cc1nc(C#N)cc(N[C@H](CC2CCCCC2)c2ccccc2)n1 1559091315 KZMHMUFWMZEQCD-LJQANCHMSA-N 320.440 4.780 30 20 DJED CC[C@H](C)Oc1cccc(NC(=O)Nc2cc(C)cc(C#N)c2)c1 1562939499 KPLQJMHYEVADFW-AWEZNQCLSA-N 323.396 4.688 30 20 DJED COc1cc(C#N)ccc1Oc1nc2c(C)cc(C)cc2s1 1611710070 IDUZGHCSEHQHMU-UHFFFAOYSA-N 310.378 4.586 30 20 DJED N#Cc1ccc(CN2CCCCc3c(Cl)cccc32)s1 1617064048 PHOODKCIAHXVGC-UHFFFAOYSA-N 302.830 4.616 30 20 DJED C[C@@H](CNc1ccccc1O[C@H](C)C#N)CC1CCCCC1 1620873351 YGNWDQGPQFUTHN-HZPDHXFCSA-N 300.446 4.996 30 20 DJED N#Cc1c(F)cccc1NC1(Cc2ccc(Cl)cc2)CCC1 1639977178 WNYNNQLHKGPQHF-UHFFFAOYSA-N 314.791 4.928 30 20 DJED CCc1ccc(C2=CCN([C@H](C)c3ccc(C#N)cc3)CC2)cc1 1642535286 XRLBWYFOFIXXSW-QGZVFWFLSA-N 316.448 4.971 30 20 DJED CC[C@H](C)[C@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N 1651727326 KLWSPLOZVQGICU-WPRPVWTQSA-N 302.365 4.807 30 20 DJED Cc1c(NN=C2CCC(c3ccccc3)CC2)cccc1C(=O)O 1776086262 JXHGNFIHRJBQTL-UHFFFAOYSA-N 322.408 4.819 30 20 DJED CCCC(CCc1ccccc1)=NNc1cccc(C(=O)O)c1C 1776087000 CQQGYUOSKIEBEG-UHFFFAOYSA-N 324.424 4.894 30 20 DJED C=CCN(C(=O)c1cc2cc(C)ccc2nc1C)c1ccccc1 58642405 VGPUQBNYNBOLJV-UHFFFAOYSA-N 316.404 4.684 30 20 DJED O=C(/C=C/c1cccc(F)c1F)c1cccc(C(F)(F)F)c1 78560848 RJNQIHKMAINXDI-BQYQJAHWSA-N 312.237 4.880 30 20 DJED Cc1ccc2c(c1)[C@@H](Nc1cccc(OCCCC#N)c1)CC2 162085805 IYMDTXSQNCIAQD-FQEVSTJZSA-N 306.409 4.777 30 20 DJED Cc1ccc(-c2nnc(SCCCC(C)(C)C#N)o2)c(C)c1 177288335 SMKPRCMOOFSHHU-UHFFFAOYSA-N 315.442 4.776 30 20 DJED CCC[C@H](Nc1cccc(OCCCC#N)c1)c1cccnc1 186276429 VRAQRRJUWUREHF-IBGZPJMESA-N 309.413 4.717 30 20 DJED CCOc1ccc(C(=O)/C=C\c2ccccc2OC(F)F)cc1 206095903 WBCGGJJZLSWXOU-XFXZXTDPSA-N 318.319 4.583 30 20 DJED Cc1cc(N[C@H](C)c2cccc(C#N)c2)c2cccc(F)c2n1 301654347 HJEDXJIHQPFPRI-CYBMUJFWSA-N 305.356 4.727 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccc(OCC(F)F)cc2)cc1 303834321 AJCQKUWMEKXTIO-IZZDOVSWSA-N 302.320 4.535 30 20 DJED C[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1F 314844798 VULRNEOQLNGTDZ-JTQLQIEISA-N 308.278 4.889 30 20 DJED C[C@H]1C[C@H](c2ccccc2)C[C@H](Nc2cccc(OCC#N)c2)C1 326811006 DFYBZWUICRJPGI-XKGZKEIXSA-N 320.436 4.973 30 20 DJED CCSc1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)cc1 350832134 GEVUTRJWLSDAHC-SFHVURJKSA-N 324.449 4.573 30 20 DJED N#CC[C@H](CC(=O)N1CCC=Cc2ccccc21)c1ccccc1 357007351 XEQDETNNFAIIJU-LJQANCHMSA-N 316.404 4.524 30 20 DJED N#Cc1ccc(NC[C@@H]2CCCCC2(F)F)cc1C(F)(F)F 381913603 NNZPUFMAGJBCSL-NSHDSACASA-N 318.289 4.814 30 20 DJED CC(C)(C)c1cc(C#N)c(NC(=O)CCc2cccs2)s1 411005136 FEKCVYKYQAMGEY-UHFFFAOYSA-N 318.467 4.550 30 20 DJED N#C[C@H]1CC[C@@H](N[C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 424325469 KZHMCLHLMJVROS-JFOHDYCDSA-N 322.374 4.623 30 20 DJED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OCc2ccccc2)cc1 424329105 OZORGGMXRSZCMT-XKGZKEIXSA-N 320.436 4.608 30 20 DJED CC(C)c1ccoc1-c1noc(C[C@@H](CC#N)c2ccccc2)n1 426189376 AMKSBOBXEUBHFJ-OAHLLOKOSA-N 321.380 4.693 30 20 DJED CC[C@H](C)c1ccc(NC(=O)CSc2ccccc2C#N)cc1 439711519 UDGUZLDDXZDDSK-AWEZNQCLSA-N 324.449 4.803 30 20 DJED C=CCOc1ccc(CN[C@@H](C)c2ccccc2SC)cc1 441380364 KRAXETANFLVNRU-HNNXBMFYSA-N 313.466 4.824 30 20 DJED N#CCCN(CCc1cc(Cl)cc(Cl)c1)Cc1ccco1 447310110 UYDPYMASAQWGCH-UHFFFAOYSA-N 323.223 4.545 30 20 DJED CC[C@@H](N[C@@H]1CCc2c(Cl)cccc21)c1ccc(C#N)cc1 447525660 AQAANQCBBZJRDM-RTBURBONSA-N 310.828 4.940 30 20 DJED C=CC(C)(C)CNC(=O)Nc1cccc(CCC(F)(F)F)c1 454926230 LFKGVUHTVARHPB-UHFFFAOYSA-N 314.351 4.515 30 20 DJED C=CCC(CC=C)C(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 457283553 PSINSXVWMHIYFM-IBGZPJMESA-N 309.453 4.899 30 20 DJED N#CCCCC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 463124697 ACPSKBIUUGWZDF-UHFFFAOYSA-N 304.349 4.732 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)c2cc(F)cc(Cl)c2)cc1 464861151 BQFIGPRXFIJYKV-UHFFFAOYSA-N 316.763 4.533 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCC1CCCCC1 464940332 KYJAQASITISDNS-UXHICEINSA-N 324.468 4.645 30 20 DJED C=C[C@@](C)(CC)C(=O)N[C@H](C)CCc1ccc(OC(C)C)cc1 467741827 SXTSHBWRUSZUAJ-UZLBHIALSA-N 317.473 4.513 30 20 DJED N#Cc1nnc2ccccc2c1SCCCCc1ccccc1 475742358 OUMRYTIFZGPOGQ-UHFFFAOYSA-N 319.433 4.616 30 20 DJED C=CCN(Cc1cccs1)C(=O)[C@H](C)SC1CCCCC1 480230492 LRYYEKWFEKNNMR-AWEZNQCLSA-N 323.527 4.717 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1cc(C)c2ccccc2n1 482830427 XSXBRJHABVBTCT-UHFFFAOYSA-N 322.452 4.752 30 20 DJED C=CCC[C@H](C(=O)N[C@H]1C[C@H]1c1cccc(F)c1)c1ccccc1 488317823 WFXOEVFGGULAOC-UFYCRDLUSA-N 323.411 4.548 30 20 DJED C=C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl 488878000 HYJJFJBESCCPCP-XBFCOCLRSA-N 324.251 4.664 30 20 DJED N#CCc1ccc(COc2ccnc3c(Cl)cccc23)cc1 506689550 WCEJVGZIDDBQJY-UHFFFAOYSA-N 308.768 4.533 30 20 DJED C=CCCO[C@H](C)c1nc([C@@H](c2cccc(C)c2)C(C)C)no1 514830469 IMMYYDNTSPOCFY-NVXWUHKLSA-N 314.429 4.820 30 20 DJED COc1ccc([C@H](Cc2ccccc2)NCCC(C)(C)C#N)cc1 521944080 GSDOXWPAJDDNFS-FQEVSTJZSA-N 322.452 4.508 30 20 DJED CCC[C@H](C)CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 522145456 WODYUXPPFJCVEV-NWDGAFQWSA-N 304.459 4.509 30 20 DJED N#Cc1ccc(CN[C@H](c2ccccc2)C(F)(F)F)c(Cl)c1 527377145 VLTYQPPBMGPWNE-OAHLLOKOSA-N 324.733 4.605 30 20 DJED Cc1csc(-c2ccc(NCc3ccc(C#N)cc3F)cc2)n1 533446371 YNJXOODFVLLBSK-UHFFFAOYSA-N 323.396 4.741 30 20 DJED C[C@@H](NC1(Cc2ccccc2)CCC1)c1ccc(C#N)c(F)c1 558086534 DRZFPAZHKBGBJV-OAHLLOKOSA-N 308.400 4.513 30 20 DJED N#Cc1cccc(C2(NCc3cc(Cl)cc(Cl)c3)CC2)c1 568541312 PXKLOYFJALTGSD-UHFFFAOYSA-N 317.219 4.644 30 20 DJED CC(C)(CCC#N)CNCC[C@@H](c1ccccc1)C(F)(F)F 581119812 OAPDFBGYISCQDF-HNNXBMFYSA-N 312.379 4.642 30 20 DJED C=CCCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 608804945 JQYYOCXEQOVTHF-KRWDZBQOSA-N 324.811 4.900 30 20 DJED CC(C)Oc1cccc([C@@H](C)Nc2ncc(C#N)cc2Cl)c1 608886013 KMNIRDDVJNNTQG-GFCCVEGCSA-N 315.804 4.567 30 20 DJED CCCCN(C(=O)c1cc(C#N)cs1)[C@H](C)c1ccc(C)o1 610613726 RFVGLQIXKJJNNJ-CYBMUJFWSA-N 316.426 4.525 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1cc2cc(C)ccc2o1 616518652 IEZLQVKCSNFLKW-UHFFFAOYSA-N 311.406 4.631 30 20 DJED Cc1ccc2c(c1)[C@@H](N[C@H]1CCc3cc(C#N)ccc31)CCC2 618807422 ULIYPZRBPSTDIH-SFTDATJTSA-N 302.421 4.521 30 20 DJED CC(=NNc1ccc(OC(F)F)cc1)c1ccccc1Cl 726428845 HOEMKOZUNUKBNB-UHFFFAOYSA-N 310.731 4.778 30 20 DJED CCCCCCCCCN(C)C(=O)Nc1cnc(C2CC2)nc1 728689590 GZTFVTBQARJGKI-UHFFFAOYSA-N 318.465 4.568 30 20 DJED CCCOc1cc(/C=C\C(=O)c2sccc2C)ccc1OC 733748652 GEAGRPDWZMTFQQ-ALCCZGGFSA-N 316.422 4.750 30 20 DJED CCCCCCCCCNC(=O)N(C)[C@@H](C)c1ccccn1 744827723 LZHQWNQDAGPLSG-INIZCTEOSA-N 305.466 4.535 30 20 DJED C[C@H]1CC(=NNc2cncc(Cl)n2)C[C@H](c2ccccc2)C1 749859097 PYNPQBGQPMRUBH-TZMCWYRMSA-N 314.820 4.502 30 20 DJED FC(F)(F)CCCCON=C(c1ccccc1)C(F)(F)F 751953993 FXIZSRZXRHMQPN-UHFFFAOYSA-N 313.241 4.702 30 20 DJED N#Cc1ccccc1/C=C1/Cc2c(ccc(Cl)c2Cl)C1=O 755592668 JVMIYSBUDXHROT-GHXNOFRVSA-N 314.171 4.687 30 20 DJED COc1cccc2c1C/C(=C/c1ccc(C(F)(F)F)s1)C2=O 761481807 XTJGPNDXLYUQHU-CLFYSBASSA-N 324.323 4.598 30 20 DJED COc1cccc(NN=Cc2csc(Cl)c2Cl)c1 761785333 GHYGDGLOSPNOMU-UHFFFAOYSA-N 301.198 4.510 30 20 DJED C[C@H](C=NNCc1cnc2ccccc2c1)CCc1ccccc1 764776336 XHLVJFNTXAQDMF-KRWDZBQOSA-N 317.436 4.579 30 20 DJED Clc1ccc(NN=CCCC2CCOCC2)cc1Cl 764904508 AMFUWQFIHPNWHY-UHFFFAOYSA-N 301.217 4.598 30 20 DJED Cc1nc(-c2ccccc2)ccc1C(=O)OCCCC(C)(C)C#N 782587376 VTEDGZWIRLAQOO-UHFFFAOYSA-N 322.408 4.544 30 20 DJED Clc1ccccc1CON=Cc1ccccc1Br 852250077 XATSVVKMZLBFAE-UHFFFAOYSA-N 324.605 4.653 30 20 DJED Cc1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c(F)c1Cl 1126712600 IDZZPZXCOGYPDZ-NSHDSACASA-N 317.747 4.577 30 20 DJED Cc1cccc(Oc2ccc(Nc3ccc(C#N)cn3)cc2)c1 1161936296 XSHIAUUFNUCMME-UHFFFAOYSA-N 301.349 4.798 30 20 DJED N#Cc1ccc(Oc2nc3ccc(F)cc3s2)c(Cl)c1 1184658899 REJBMKFKHYJAQB-UHFFFAOYSA-N 304.733 4.753 30 20 DJED CCCCCCCCCNc1ccc2c(c1)CN(C(C)=O)C2 1320686515 GBYJLNATANIFCQ-UHFFFAOYSA-N 302.462 4.711 30 20 DJED C[C@H]1CCCC[C@H]1C(=O)N(Cc1ccco1)c1ccccc1C#N 1354099529 OBLDXQASELQZHN-MAUKXSAKSA-N 322.408 4.511 30 20 DJED CC1(C)CC[C@H](C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 1436357542 ZTLALZWNHLHFIF-ZDUSSCGKSA-N 314.429 4.500 30 20 DJED CC(C)CN(Cc1sccc1Cl)c1ccc(C#N)cc1 1459725029 YSIIFFACYCOLEF-UHFFFAOYSA-N 304.846 4.936 30 20 DJED C[C@H]1C[C@H](c2ccccc2)N(Cc2ccc(Cl)cc2C#N)C1 1460079614 XAGONZBXBXCKOQ-IFXJQAMLSA-N 310.828 4.795 30 20 DJED CC1(C)CCCC[C@@H]1CC(=O)Nc1ccc(Cl)cc1C#N 1461553604 XUMPYXCFFNLMPF-CYBMUJFWSA-N 304.821 4.757 30 20 DJED Cc1cc(CN2CCS[C@@H](C)[C@@H]2c2ccccc2)ccc1C#N 1461872456 MMJOUHASMPORDC-OXJNMPFZSA-N 322.477 4.545 30 20 DJED CC[C@]1(C)CCCN(c2c(C#N)cnc3c(Cl)cccc23)C1 1472705951 DSHRFXZBJRVRRN-GOSISDBHSA-N 313.832 4.776 30 20 DJED CC(C)N(CCC1(C#N)CCCCC1)Cc1ccc(C#N)cc1 1473130921 JMEVSDPFYFOJIL-UHFFFAOYSA-N 309.457 4.633 30 20 DJED C=C(CNC(=O)c1cc(-c2ccccc2)oc1C)c1ccccc1 1524596103 FXIHLXAVBXNWTI-UHFFFAOYSA-N 317.388 4.698 30 20 DJED Cc1cocc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 1529000264 KBCYISXXSAELDV-UHFFFAOYSA-N 318.332 4.504 30 20 DJED CCC[C@H](CC)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 1533334391 MHQLSZXHBDGKPG-HNNXBMFYSA-N 323.396 4.510 30 20 DJED CCCC[C@@H](C(=O)N(c1cccc(C#N)c1)C1CCC1)C(C)C 1538998411 SFAPLHCOTDHUJV-LJQANCHMSA-N 312.457 4.906 30 20 DJED CC(C)(C)CN(CCC#N)Cc1ccc(F)cc1C(F)(F)F 1560658120 MXMBPZAYOLHQSF-UHFFFAOYSA-N 316.342 4.606 30 20 DJED C[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1cccc(C2CC2)c1 1583774722 SHOTXANWHHNWJQ-LBPRGKRZSA-N 324.811 4.580 30 20 DJED Cc1c(Cl)cnc(NC[C@@H](c2ccccc2)C(C)C)c1C#N 1611779333 DXAQUHZENFWOMZ-MRXNPFEDSA-N 313.832 4.767 30 20 DJED Cc1ccc2c(c1)[C@@H](Nc1ncc(Cl)c(C)c1C#N)CCC2 1642750107 RSFMBJIAILDKRL-KRWDZBQOSA-N 311.816 4.713 30 20 DJED CC1(C)CCC[C@H](Nc2nccc(Oc3cccc(C#N)c3)n2)C1 1650977352 MLSSOPPEZKFSAS-HNNXBMFYSA-N 322.412 4.521 30 20 DJED CCOc1ccc(C#N)cc1N[C@@H](C)Cc1ccc(Cl)cc1 1652158225 AKJIXZVBIIGVDD-ZDUSSCGKSA-N 314.816 4.653 30 20 DJED CC[C@@H](NCc1ccc(CC#N)cc1)C(C)(C)c1ccccc1 1657957068 NRMCPILKPUKRQM-HXUWFJFHSA-N 306.453 4.599 30 20 DJED C[C@H](N[C@H](C)Cc1coc2ccccc12)c1cccc(C#N)c1 1658897907 RLTPOIYGQRIFMM-CABCVRRESA-N 304.393 4.586 30 20 DJED CCCCN(C)C(=O)c1ccccc1Sc1ccccc1C#N 44249958 KJUYMGXLYFFHMO-UHFFFAOYSA-N 324.449 4.582 30 20 DJED Cc1cc(Cl)cc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c1 126039775 RRGNKPRQQGZOFV-CYBMUJFWSA-N 318.829 4.718 30 20 DJED C=C(C)COc1cccc(NCc2csc(C3CC3)n2)c1 129274645 GKMQQRMPJQSXDC-UHFFFAOYSA-N 300.427 4.588 30 20 DJED C#CCCCCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl 179721717 ZHNXQYGJIPHECW-GFCCVEGCSA-N 312.240 4.706 30 20 DJED C[C@@H](C#N)Oc1ccccc1NCc1cccc2ccccc12 182548035 YIIBPUOZMYRNNP-HNNXBMFYSA-N 302.377 4.743 30 20 DJED Cc1ccccc1[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)C1CC1 271861000 KJJWXACXRWHIQF-KKSFZXQISA-N 320.436 4.699 30 20 DJED N#C[C@@H]1CC[C@@H](N2CCC(Sc3ccc(Cl)cc3)CC2)C1 292721051 APXOAECJSUAKSQ-UKRRQHHQSA-N 320.889 4.589 30 20 DJED CC(C)c1ccc2c(c1)[C@@H](/N=C(/O)c1ncoc1C1CC1)CC2 329079126 QTCHGLUMOPPRIC-INIZCTEOSA-N 310.397 4.668 30 20 DJED CC[C@H]1OCCC[C@H]1C(O)=Nc1cc(-c2cccnc2)ccc1C 330059593 LEZUTYLMBBCYBA-IEBWSBKVSA-N 324.424 4.850 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCc2ccccc21 341756620 GAAPRJNFTWVSJG-RTWAWAEBSA-N 302.421 4.603 30 20 DJED C=C(C)CCc1noc(-c2cn(CCCC#N)c3ccccc23)n1 347206391 BBFPRJXMXMSIDG-UHFFFAOYSA-N 320.396 4.504 30 20 DJED C=C[C@](C)(CC)C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 442847495 XUUSRPQTJLOKFU-RBBKRZOGSA-N 319.448 4.763 30 20 DJED CCOc1cccc([C@@H](C)N[C@H](CC)c2ccc(C#N)cc2)c1 447530772 NPPAONGEORHBBA-FOIQADDNSA-N 308.425 4.759 30 20 DJED CC#CCCSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 462421826 ZDABORZQOXAFSO-UHFFFAOYSA-N 300.427 4.540 30 20 DJED CCCN(CC#N)C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 463193279 RDMMMONWOKYLHF-UHFFFAOYSA-N 324.424 4.620 30 20 DJED C=CCN(C(=O)c1nc2ccccc2cc1Cl)c1ccccc1 463259068 PCBGXPOBLAVNNS-UHFFFAOYSA-N 322.795 4.721 30 20 DJED N#C[C@@H]1CC[C@H](N[C@H](c2ccc(Cl)cc2)C2CCCC2)C1 467359595 ONSTVAJOXMNQKH-BVGQSLNGSA-N 302.849 4.853 30 20 DJED CCOc1ccccc1[C@@H](CC(C)C)Nc1ncccc1C#N 470876275 RDXFBTKLOLPIMU-QGZVFWFLSA-N 309.413 4.551 30 20 DJED N#Cc1ccc(Cl)cc1OCc1ncc(-c2cccs2)o1 474344728 CIDCJFSKNJHBDB-UHFFFAOYSA-N 316.769 4.507 30 20 DJED C=CCN(Cc1cc2ccccc2nc1O)CC1CCCCC1 484567812 ILAWMMGIABISDO-UHFFFAOYSA-N 310.441 4.509 30 20 DJED CC(C)(C#N)c1ccccc1CNc1cccc(Cl)c1F 486463313 SWWHWWVDOBUUNT-UHFFFAOYSA-N 302.780 4.892 30 20 DJED Cc1c(C(=O)N[C@H]2CCC23CCCC3)sc2ccc(C#N)cc12 507320054 RMJSAKBMPGAEEG-INIZCTEOSA-N 324.449 4.534 30 20 DJED N#Cc1cc(Cl)ccc1N[C@H]1CCSc2c(F)cccc21 511383099 XIFFFOILFOLENP-HNNXBMFYSA-N 318.804 5.000 30 20 DJED Cc1cnc(SCc2ccc(-c3ccccc3C#N)cc2)nc1 520686814 SVQAERROYQSHCO-UHFFFAOYSA-N 317.417 4.616 30 20 DJED CCN(C(=O)C[C@@H](C)CC(C)C)[C@@H](C)c1ccc(C#N)cc1 524244403 YOHPHGILYHUHSS-HOTGVXAUSA-N 300.446 4.540 30 20 DJED COc1ccc(CNc2cccc(OC3CCCC3)c2)cc1C#N 533209896 ACDMHYWGTAFQPC-UHFFFAOYSA-N 322.408 4.500 30 20 DJED C=C[C@@H](CC(=O)N(Cc1cccs1)C(C)C)c1ccccc1 534643972 VIRLPSXYIMHCJO-INIZCTEOSA-N 313.466 4.845 30 20 DJED Cc1cc([C@@H](N[C@@H](C)c2cccc(C#N)c2)C2CC2)ccc1F 538408642 JWTOBICVHDVWGJ-XOBRGWDASA-N 308.400 4.808 30 20 DJED C=C(CC)CNc1ccc(Cl)cc1NC(=O)c1ccco1 540194600 VVSXSIAHHXITRB-UHFFFAOYSA-N 304.777 4.563 30 20 DJED C=CCC(C)(C)c1noc([C@@H](C)SCc2ccccc2)n1 560024820 NGNNZUNLASGNMB-CYBMUJFWSA-N 302.443 4.918 30 20 DJED CCC[C@H](C)N(C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 609986769 CEEDLGDXLIGPJT-HNNXBMFYSA-N 321.424 4.562 30 20 DJED CCCOc1ccc(C(C)(C)NCc2ccc(C#N)cc2C)cc1 619516733 SWYAQXJVHPSAPQ-UHFFFAOYSA-N 322.452 4.680 30 20 DJED CC(C)CCN1Cc2cccc(N=Cc3ccccc3O)c2C1 727973249 WINIZCCDWRPDMT-UHFFFAOYSA-N 308.425 4.505 30 20 DJED CCOc1cc(C#N)cc(Cl)c1OC(=O)CCCC(C)(C)C 728805501 OOFNVZHMVMUUQK-UHFFFAOYSA-N 323.820 4.732 30 20 DJED CCc1ccc(C=NOCc2ccc(SC)c(OC)c2)cc1 731664167 ZUJPMHPFKDUEDQ-UHFFFAOYSA-N 315.438 4.530 30 20 DJED Cc1ccc(-c2ncc(/C=C\C(=O)c3ccc(C)o3)s2)cc1 734305580 CQBWUGBINNFWEV-HJWRWDBZSA-N 309.390 4.916 30 20 DJED CCCN(CC)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746658599 FUHMRMNYJFPRLE-IBGZPJMESA-N 321.424 4.606 30 20 DJED CCCCCCCCCC(=O)Nc1cn(C)nc1C(F)(F)F 752822221 XJEUBZKUWNIVNP-UHFFFAOYSA-N 319.371 4.518 30 20 DJED Cc1ccc(N(CCC#N)C(=O)CCCSC(C)(C)C)cc1 753962743 LAEYFLKWJBUZQB-UHFFFAOYSA-N 318.486 4.554 30 20 DJED C#CCCCCNC(=O)Nc1ccc(-c2ccccc2)cc1C 758532723 NZLAMEHPTQIJFQ-UHFFFAOYSA-N 306.409 4.587 30 20 DJED O=C(/C=C\c1nc(Cl)cs1)c1ccc(-c2ccccc2)o1 759082569 FCQKRNOEGMWNDW-TWGQIWQCSA-N 315.781 4.953 30 20 DJED CCC(=NNc1ncnc2ccsc12)c1ccc(Cl)s1 764835648 OSIHUYYXJFUHDZ-UHFFFAOYSA-N 322.846 4.632 30 20 DJED CC(C)[C@H]1/C(=C/c2ccc3c(c2)ncn3C)C(=O)c2ccccc21 766506703 QGFGISXLFCQVLE-PLMLNFJUSA-N 316.404 4.593 30 20 DJED CC(=NOCCC(F)(F)F)c1cc2cc(Cl)ccc2o1 777458872 FBDJEXMEUOPOPV-UHFFFAOYSA-N 305.683 4.779 30 20 DJED C=C(C)CN(C)C(=S)Nc1c(Cl)ccc(C)c1Cl 777917745 CIYLRFNJOCKTNY-UHFFFAOYSA-N 303.258 4.507 30 20 DJED C#CCCCCCC(=O)N(Cc1cccc(C)c1)Cc1ccco1 779808583 MKTARTGCHQCSHR-UHFFFAOYSA-N 323.436 4.701 30 20 DJED COc1cccc2c(SCc3ccc(F)cc3C#N)ccnc12 780336980 PUJZPBMMDCXPDY-UHFFFAOYSA-N 324.380 4.546 30 20 DJED C=CC[C@H](NC[C@H](C)c1cccc(Cl)c1)c1ccncc1 783636872 DOGSJDIAGYAHKC-KSSFIOAISA-N 300.833 4.746 30 20 DJED CC(/C=C\C(=O)c1ccccc1F)=C/c1cccc([N+](=O)[O-])c1 787169187 NQLBLRWIQOPDSO-ZRQQEUPBSA-N 311.312 4.576 30 20 DJED CC(=NNc1cccc2ccccc12)c1ccc2n[nH]cc2c1 794900055 UAPYOOVUFXNRTD-UHFFFAOYSA-N 300.365 4.552 30 20 DJED C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1F 795981560 NMFTUTLQDPBXPA-ZBFHGGJFSA-N 311.356 4.517 30 20 DJED CCCCCCCCCN(C)C(=O)Nc1cc(C2CC2)n(C)n1 810276937 ASQXKXUZCRYSDQ-UHFFFAOYSA-N 320.481 4.512 30 20 DJED c1ccc(C[C@H]2CCC(=NNc3nccnc3C3CCC3)C2)cc1 814932283 VKCVUQYUBXISBL-MRXNPFEDSA-N 320.440 4.555 30 20 DJED CC(=NN[C@@H](C)c1ccncc1)[C@@H](C)c1nc2ccccc2s1 819816858 QPRQDDBXGBORLR-OCCSQVGLSA-N 324.453 4.522 30 20 DJED CC(C)c1ccc(C=NOCc2nc3ccccc3s2)cc1 823478498 YLMOCVPUDZVKKH-UHFFFAOYSA-N 310.422 4.970 30 20 DJED CCOc1ccc(C=NOCc2ccccc2C(F)(F)F)cc1 836492649 DWLARXXJOZJKHL-UHFFFAOYSA-N 323.314 4.655 30 20 DJED CC(=NNc1ncccc1C(F)(F)F)c1cc(C)sc1C 915050326 KESDREXDSNVGEP-UHFFFAOYSA-N 313.348 4.615 30 20 DJED CC(=NNc1ncc(Cl)cc1Cl)c1ccc(C)s1 917027494 CFGDVENAFOIZRZ-UHFFFAOYSA-N 300.214 4.594 30 20 DJED Oc1c(Cl)cc(Cl)cc1C=Nc1cccc(F)c1F 921261717 UAVLQCDVOYWGTC-UHFFFAOYSA-N 302.107 4.728 30 20 DJED Cc1ccc(C(=O)N(CCC#N)CCC(C)C)c2ccccc12 1144537012 CHNNELMDODHNDP-UHFFFAOYSA-N 308.425 4.550 30 20 DJED Cc1cccc([C@H](C)Sc2nc3c(cc2C#N)CCCC3)c1 1188565059 NDQOYLZQWRTCPS-AWEZNQCLSA-N 308.450 4.994 30 20 DJED CCOc1ccc(C#N)cc1N[C@H]1CC[C@H](c2ccccc2)C1 1205348168 YKAVVGYWDHUUQY-ROUUACIJSA-N 306.409 4.705 30 20 DJED CCCC(=Cc1nnc(COc2ccc(C#N)cc2)o1)CCC 1261426669 YGCAQCSQSUIIMZ-UHFFFAOYSA-N 311.385 4.504 30 20 DJED Cc1cccc([C@H](NC(=O)c2cc(C#N)ccc2F)C(C)(C)C)c1 1264761531 JMWZHJLUFKREFY-SFHVURJKSA-N 324.399 4.523 30 20 DJED CCc1oc2ccccc2c1C=NOCc1nc(C)sc1C 1335498795 KMZKQEWJVGKIMZ-UHFFFAOYSA-N 314.410 4.619 30 20 DJED CC[C@@H](c1ccccc1)N(CC)C(=O)Nc1sccc1C#N 1466981422 IURSDYMYVDNCMU-HNNXBMFYSA-N 313.426 4.625 30 20 DJED CC(C)CCC[C@@H](C)Nc1nccc(Oc2cccc(C#N)c2)n1 1472672114 DWSWMLURSAVKIK-OAHLLOKOSA-N 324.428 4.767 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1coc2ccc(C(C)C)cc12 1533806232 RQVDFQXOEYPQPL-UHFFFAOYSA-N 318.376 4.989 30 20 DJED C[C@H]1CC(C)(C)c2cccc(NC(=O)C3(C#N)CCCCC3)c21 1538363056 PCTFUXBDUBBFJY-AWEZNQCLSA-N 310.441 4.884 30 20 DJED CCCc1sc(C(=O)Nc2cccc(C#N)c2C)cc1CC 1544114523 OAOXRJDUSVXDAI-UHFFFAOYSA-N 312.438 4.695 30 20 DJED Cc1ccccc1[C@H](Nc1cc(C#N)ncn1)[C@@H]1CCC[C@@H](C)C1 1559102002 ZYEHMEBNIAJZGK-AKCHCHLHSA-N 320.440 4.636 30 20 DJED CCc1c(Nc2cccc(F)c2C#N)cnn1C(CC)CC 1559181172 HZDTVMCFHJHWOV-UHFFFAOYSA-N 300.381 4.561 30 20 DJED CC(C)CC[C@@H]1CC[C@@H](Nc2ccc(F)cc2OCC#N)C1 1621237697 CFWVOHGDTUZGIY-GDBMZVCRSA-N 304.409 4.745 30 20 DJED Cc1cccc(-c2ccc(CN[C@H]3CCC[C@@H](C#N)C3)cc2)c1 1621242897 RKOXQGDMUIMVMA-NQIIRXRSSA-N 304.437 4.834 30 20 DJED COc1cc(OCc2ccc(-c3ccsc3)cc2)ccc1C#N 1652808343 XVHCVUJLKVFWIZ-UHFFFAOYSA-N 321.401 4.874 30 20 DJED CCCN(Cc1ccc(C#N)cc1C)[C@H]1CCc2ccccc21 1653225680 MSCKOFRWIJLMFK-NRFANRHFSA-N 304.437 4.766 30 20 DJED Cc1ccc(C[C@H](C)Nc2ncc(Cl)c(C)c2C#N)c(C)c1 1655131884 JEBPMNCZKWOZOE-ZDUSSCGKSA-N 313.832 4.575 30 20 DJED Cc1ccccc1-c1ccccc1CN(C[C@H](C)C#N)C1CC1 1663826699 MIOOAAIZLOEGSS-MRXNPFEDSA-N 304.437 4.786 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(F)c2ccccc12 1664566651 OECROIDBPBZNLS-NRFANRHFSA-N 316.379 4.628 30 20 DJED CC1(C)CC(CNC(=O)Nc2cccc(C#N)c2)CC(C)(C)C1 1666934352 FPNNINKFBJPTJN-UHFFFAOYSA-N 313.445 4.532 30 20 DJED C=C(CNC(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C)c1ccccc1 1686699495 XLNHEWXUMNAYDA-ZWKOTPCHSA-N 314.473 4.556 30 20 DJED O=C(O)c1ccccc1NN=C1CCCCC[C@@H]1c1ccccc1 1776031402 FHKOVKOONHJFKV-MRXNPFEDSA-N 322.408 4.901 30 20 DJED O=C(/C=C/c1ccc(F)c(C(=O)O)c1)c1ccc2ccccc2c1 1776131682 YSAUSIUDHGAVIS-UXBLZVDNSA-N 320.319 4.573 30 20 DJED C=CCCC[C@@H](NCc1ccc(C2CCCCC2)cc1)C(=O)O 1776171059 BRDFDIILIGCOBI-LJQANCHMSA-N 315.457 4.633 30 20 DJED CC[C@H](C)c1ccc(C(=O)/C=C/c2ccc(CC(=O)O)cc2)cc1 1776697874 ULGRCPRGSVAWCI-NRUITVPNSA-N 322.404 4.723 30 20 DJED CCCCCCCC[C@@H](C)C(=O)Nc1cccc(C(=O)O)c1 1776786093 JZSVGPFHEWUOCR-CQSZACIVSA-N 305.418 4.710 30 20 DJED Cc1ccc(C(=O)/C=C/c2cc(C(=O)O)c(Cl)s2)cc1C 1777433752 DVOWPOJWIIIFFV-AATRIKPKSA-N 320.797 4.613 30 20 DJED COc1ccc(/C=C2\CSc3ccc(Cl)cc3C2=O)cc1 104927 RKMNNFIJXFVDEZ-XYOKQWHBSA-N 316.809 4.721 30 20 DJED Cc1cc(C)c(C#N)c(SCc2ccc(F)cc2Cl)n1 10266969 NCCDMVOHWLFWRK-UHFFFAOYSA-N 306.793 4.655 30 20 DJED Cc1ccc(-c2nnc(SCc3ccccc3C#N)o2)c(C)c1 66260619 VMDSJKCNFZOXTO-UHFFFAOYSA-N 321.405 4.517 30 20 DJED CCCOc1c(/C=C/C(=O)c2ccc(C)o2)cccc1OCC 71813684 KPWRNVVTTRUCPN-ZHACJKMWSA-N 314.381 4.672 30 20 DJED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc2ccccc2n1 90665126 GGRCZSUZCYJMEX-OXQOHEQNSA-N 315.420 4.930 30 20 DJED N#Cc1ccc(OCc2ccc(Br)cc2Cl)cc1 167030656 CWSFCKOEAIBTDB-UHFFFAOYSA-N 322.589 4.553 30 20 DJED C[C@@H](Nc1cccc(CN2CCCCC2)c1)c1cccc(C#N)c1 179752592 XOYQTISELRLBPX-QGZVFWFLSA-N 319.452 4.717 30 20 DJED C=C(C)CN(C)C(=O)Nc1ccccc1SC1CCCC1 181563385 IUPOPSSFYRTHKD-UHFFFAOYSA-N 304.459 4.761 30 20 DJED CC[C@@H](CC#N)NC(=O)c1cc2sc3ccccc3c2s1 183893627 XBPLNBMTSUQQIO-JTQLQIEISA-N 314.435 4.538 30 20 DJED COc1ccc(/C=C\C(=O)c2oc3ccccc3c2C)cc1F 205512369 HXXXYALJPYOUFG-CLFYSBASSA-N 310.324 4.785 30 20 DJED C[C@@H](NCc1csc(C2CCCC2)n1)c1ccc(C#N)cc1 271671199 NLJCQETTXKKYST-CYBMUJFWSA-N 311.454 4.523 30 20 DJED N#CCc1cc(Cl)ccc1NC(=O)c1sccc1C1CC1 410965746 JSVGQVCXAROZLD-UHFFFAOYSA-N 316.813 4.597 30 20 DJED CC(C)[C@H](C(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 430372021 DWHVMENKMQOKIH-KRWDZBQOSA-N 312.800 4.590 30 20 DJED N#CCC1(CN[C@H]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 430736067 BXLDVDMTHMKOBA-CJNGLKHVSA-N 323.267 4.913 30 20 DJED Cc1cc(COc2ccc(-c3c(C)noc3C)cc2)ccc1C#N 447409522 MMSSYIQQCRCVHL-UHFFFAOYSA-N 318.376 4.718 30 20 DJED CC[C@@H](NCc1ccc(OC(C)C)cc1)c1ccc(C#N)cc1 447528778 ILMVDIVQKMPNLN-HXUWFJFHSA-N 308.425 4.586 30 20 DJED C=CCCCC[C@H](C)Nc1ccc(CS(=O)(=O)C(C)C)cc1 449052032 CARFALQBAPAQRQ-INIZCTEOSA-N 323.502 4.557 30 20 DJED Cc1ccc(-n2cc(N[C@H](C)c3cccc(C#N)c3)cn2)c(C)c1 466754630 MVBHLKLDCJAJFE-MRXNPFEDSA-N 316.408 4.534 30 20 DJED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(Cl)c(F)c2)cc1 474896591 KZNRBVYXTIFRTH-UHFFFAOYSA-N 316.763 4.533 30 20 DJED C=CCCC1(C(=O)Nc2cc(C(F)(F)F)ccc2F)CC1 475601341 IKMRJXKUAOMTSR-UHFFFAOYSA-N 301.283 4.529 30 20 DJED C=CCOCCCSCc1csc(-c2ccsc2)n1 479601559 VKEICDOAVYQCTQ-UHFFFAOYSA-N 311.497 4.698 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@@H]2NC1(c2ccccc2)CC1 481998994 FJMWDGCSEOAQHH-FQEVSTJZSA-N 302.421 4.605 30 20 DJED C=CC[C@H](C(=O)N(C)Cc1ccccc1Cl)c1ccccc1 487651702 DTDQRJNLICAMOU-KRWDZBQOSA-N 313.828 4.658 30 20 DJED C=CCN(Cc1ccccc1)Cc1cc(-c2ccccc2)no1 502315342 GOEQYZORNOZFGW-UHFFFAOYSA-N 304.393 4.530 30 20 DJED C=CCn1c(C(C)C)nnc1N1CCC[C@H]1c1cccc(C)c1C 564376765 ISMNFYFKKSEZBR-SFHVURJKSA-N 324.472 4.546 30 20 DJED CCCCn1c(SCc2ccc(C#N)cc2F)nc(C)c1C 600817984 WMHDGKHABFYOHJ-UHFFFAOYSA-N 317.433 4.603 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CSCc2ccccc21 611392016 FBMHAGNMWLJPBN-PMACEKPBSA-N 320.461 4.513 30 20 DJED CC(C)Oc1cccc(C=NNc2ccc(OC(F)F)cc2)c1 726426793 HUOVWCLBYLSHRA-UHFFFAOYSA-N 320.339 4.521 30 20 DJED Cc1cc(C(=O)OCCCC#N)sc1-c1cccc(Cl)c1 726655676 SKTYMDQGZRAFNE-UHFFFAOYSA-N 319.813 4.838 30 20 DJED CCc1c(C(=O)/C=C\c2cccnc2C)oc2ccc(C)cc12 728786481 ZPUMXQZIEVOUNX-HJWRWDBZSA-N 305.377 4.903 30 20 DJED N#CCOc1cccc(/C=C\c2nc(-c3ccccc3)cs2)c1 730150855 FJBLUTHOFAWVSN-KTKRTIGZSA-N 318.401 4.883 30 20 DJED C#CCOc1ccc(CN[C@H](CC)c2ccc(Cl)s2)cc1 734003707 WCDSCNZFWMRKMH-OAHLLOKOSA-N 319.857 4.654 30 20 DJED CC(=NNc1ncccc1C(F)(F)F)c1cccc(C)c1C 734298317 CWAPFVTWVOHSCQ-UHFFFAOYSA-N 307.319 4.553 30 20 DJED CCCOc1ccc(C(=O)/C=C\c2ccc(COC)cc2)cc1 741849229 UZRLBTKXJUUYEE-JYRVWZFOSA-N 310.393 4.518 30 20 DJED CCOc1cccc(C(=O)/C=C\c2ccc(OC(F)F)cc2)c1 743539189 WHZGQEJJVKUEAV-FLIBITNWSA-N 318.319 4.583 30 20 DJED O=C(/C=C\c1cccc(OC(F)F)c1)c1c[nH]c2ccccc12 747064464 WRCWOSCTKNQZBL-HJWRWDBZSA-N 313.303 4.665 30 20 DJED C=C(C)COc1cccc(NC(=O)c2cc(Cl)cs2)c1 757916742 WZQUKLANPRPSRH-UHFFFAOYSA-N 307.802 4.609 30 20 DJED CC(C)c1ncc(/C=C2/Cc3c(Cl)cccc3C2=O)s1 758428221 BLTMPHFLXGUJGP-POHAHGRESA-N 303.814 4.742 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(Cl)nc1Cl)C2 761479344 ZWDYGSYHJQUFQX-WQLSENKSSA-N 304.176 4.519 30 20 DJED Cc1cc(/C=C/C(=O)c2ccc(O)c(Cl)c2)cc2cccnc12 768758665 WBHRUJWGWCOLPT-GQCTYLIASA-N 323.779 4.798 30 20 DJED COc1ccsc1C(=O)/C=C/c1cc2cc(F)ccc2o1 769744447 LOGUUXFVMHNRLP-ONEGZZNKSA-N 302.326 4.538 30 20 DJED C=CCCOCCCCC(=O)O[C@H]1CCc2c(Cl)cccc21 776087590 YNOTXYDXTSKBBH-KRWDZBQOSA-N 322.832 4.634 30 20 DJED C#Cc1cccc(NC(=O)c2c(-c3ccccc3)oc(C)c2C)c1 780296200 LZTHDNOYSOKRGN-UHFFFAOYSA-N 315.372 4.797 30 20 DJED C#CCC1(C(=O)Nc2cc(C(C)C)c(O)cc2C)CCCCC1 788512624 FCJWVLJKSSKCPY-UHFFFAOYSA-N 313.441 4.736 30 20 DJED CCCCCCCC[S@](=O)Cc1cc(-c2ccccc2)no1 790133555 CRIGHSWXFIZEGG-QFIPXVFZSA-N 319.470 4.951 30 20 DJED CSc1ccc([C@@H](C)Nc2snc(Cl)c2C#N)cc1 798415692 HBKNOQAULKEOPT-MRVPVSSYSA-N 309.847 4.563 30 20 DJED C=CCN(Cc1ccccc1)Cc1ccnc(Cl)c1Cl 811456376 MOSFHHFQDODFHO-UHFFFAOYSA-N 307.224 4.577 30 20 DJED c1ccc([C@@H]2CCC(=NNc3cccc4cnccc34)C2)cc1 814836620 VXDFZEGNBTXYNW-MRXNPFEDSA-N 301.393 4.970 30 20 DJED N#CC[C@H](CC(=O)Oc1cccc(C2CC2)c1)c1ccccc1 822159501 HWCYRTDENOSLOD-GOSISDBHSA-N 305.377 4.557 30 20 DJED C=CCC1(C(=O)N[C@H](C)c2nc3ccccc3s2)CCCC1 825852173 ZFRRSOXDIXVVBL-CYBMUJFWSA-N 314.454 4.610 30 20 DJED C=CC[C@@H](N[C@@H]1CCc2cc(F)c(Cl)cc21)c1ccncc1 858366088 XGMIWTJCGXGAIC-QZTJIDSGSA-N 316.807 4.768 30 20 DJED C[C@@H](N[C@H]1CCc2ccc(Cl)cc21)c1ccc(C#N)c(F)c1 858581927 KEVULXDYXDZARH-ZMZPIMSZSA-N 314.791 4.689 30 20 DJED CC[C@@H](N[C@H]1CSCc2ccccc21)c1cccc(C#N)c1 902776716 NQSIENXTTHPJRX-MOPGFXCFSA-N 308.450 4.587 30 20 DJED COc1ccccc1/C=C\C(=O)c1cc2cc(Cl)ccc2o1 916130149 KOWVAHPOTNMMCN-VURMDHGXSA-N 312.752 4.991 30 20 DJED CCOc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC 916155853 HMXBMMRJVFAUOC-JXMROGBWSA-N 310.393 4.607 30 20 DJED CCCCc1nnc(S)n1N=CC[C@H](C)CCC=C(C)C 916302121 LANSNKQNTAOMLB-CQSZACIVSA-N 308.495 4.516 30 20 DJED CCCCCCCC(=O)N(Cc1ccccc1OC)C1CC1 917758791 CNBUBRBWVYAJMG-UHFFFAOYSA-N 303.446 4.547 30 20 DJED C=CCN(C(=O)N[C@@H](c1cccs1)C(CC)CC)C(C)C 918132076 VHHLMTFVFKGOCU-MRXNPFEDSA-N 308.491 4.831 30 20 DJED CCC1(CC)CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 1128643830 IXZYKXZBZCGOSG-RBUKOAKNSA-N 324.468 4.527 30 20 DJED CC[C@@H](C#N)N(CC)C(=O)c1sc2cccc(C)c2c1Cl 1134425585 PLOSNTBQOXJYDF-NSHDSACASA-N 320.845 4.627 30 20 DJED C[C@@H]1N(Cc2ccc(Cl)cc2C#N)c2ccccc2C1(C)C 1196113134 AXUAQTJPQBHLNG-ZDUSSCGKSA-N 310.828 4.898 30 20 DJED C=C(CNC(=O)N1CCCCC[C@H]1CC(C)C)c1ccccc1 1251694411 IQCZLQMQQGEXGT-IBGZPJMESA-N 314.473 4.700 30 20 DJED N#CCc1ccc(CN2C[C@@H](c3ccccc3)c3ccccc32)cc1 1307730519 QIEDIDPRAXMPDA-QFIPXVFZSA-N 324.427 4.905 30 20 DJED N#Cc1sc(N2CCC[C@@H]2c2cccc(Cl)c2)nc1Cl 1324270548 BUPRJDDIVCXVBZ-LLVKDONJSA-N 324.236 4.663 30 20 DJED N#CCC[C@@H](Nc1ccc(C(F)(F)F)nc1)c1ccccc1 1333685370 PYCQQTOBNVOUSL-CQSZACIVSA-N 305.303 4.557 30 20 DJED Cc1sc(NC(=O)c2cc3c(C)cccc3o2)c(C#N)c1C 1349963705 HKODNXKCYLMWHJ-UHFFFAOYSA-N 310.378 4.544 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC[C@@H]1CC 1350098102 PZMONZMZHSGIDQ-RBUKOAKNSA-N 312.457 4.513 30 20 DJED C[C@@H](OC(=O)[C@H](C)c1ccc(Cl)cc1)c1ccc(C#N)cc1 1361168502 ILJNWGSVBUKPAJ-CHWSQXEVSA-N 313.784 4.620 30 20 DJED CC[C@@H](Cc1cccc(C)c1)C(=O)O[C@H](C)c1ccc(C#N)cc1 1457193040 RCTGZTLULIDUIH-APWZRJJASA-N 321.420 4.740 30 20 DJED Cc1c(Cl)cnc(N[C@@H](C)c2c(F)cccc2Cl)c1C#N 1458234440 UPOIGLQGYQXPMR-VIFPVBQESA-N 324.186 4.881 30 20 DJED CCC[C@H]1CCc2ccccc2N1Cc1cccc(C#N)c1F 1473253650 SLXXUJLLDRAHPY-SFHVURJKSA-N 308.400 4.819 30 20 DJED N#CCC[C@@H](NC(=O)Nc1ccc2occc2c1)c1ccccc1 1476985506 MMZOGOJZHRMZOT-QGZVFWFLSA-N 319.364 4.599 30 20 DJED Cc1cc(C#N)nc(Sc2ccc(C3CCCCC3)cc2)n1 1559070761 RLYNWOWGYZQFRL-UHFFFAOYSA-N 309.438 4.856 30 20 DJED C=C(Cl)CN1CCC(c2ccccc2C(F)(F)F)CC1 1559647416 GZIOHINJZXWNME-UHFFFAOYSA-N 303.755 4.637 30 20 DJED Cc1cc(CN2CCCCC[C@@H]2c2ccccc2)ccc1C#N 1560681425 JQCITZOWTFVOSO-OAQYLSRUSA-N 304.437 4.984 30 20 DJED Cc1ccc(C)c2c(C)c(C(=O)Nc3cc(F)cc(C#N)c3)oc12 1596845114 CTOYGWLXSNCSSS-UHFFFAOYSA-N 322.339 4.621 30 20 DJED C[C@H]1CCCC[C@@H]1CCNc1c(Br)cccc1C#N 1639478934 YRIISRKBICJRFN-QWHCGFSZSA-N 321.262 4.949 30 20 DJED N#Cc1c(F)cccc1CN1CC2(CCCC2)c2c(F)cccc21 1658791816 ROBSSOSVKKFNCC-UHFFFAOYSA-N 324.374 4.668 30 20 DJED C[C@H](Cc1ccc(F)cc1Cl)Nc1ccc(CC#N)cc1 1664218566 MRCZXPNUPZWYCQ-GFCCVEGCSA-N 302.780 4.588 30 20 DJED Cc1cc(C)c(C(=O)/C=C\c2ccc(/C=C\C(=O)O)cc2)cc1C 1776133171 OXWLBXSRLFJRIF-WGEIWTTOSA-N 320.388 4.606 30 20 DJED CC(C)[C@@H]1/C(=C/c2cccc(C(=O)O)c2F)C(=O)c2ccccc21 1776308766 MQCQNLORWNTWBH-RNIVLKNTSA-N 324.351 4.543 30 20 DJED Cc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1C 66801516 STRKTNVKGQOMNC-HNNXBMFYSA-N 324.449 4.950 30 20 DJED CCCCCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 72025499 IWSSKRXPKRUYPF-UHFFFAOYSA-N 323.396 4.662 30 20 DJED N#C[C@H](C(=O)C1CCCCC1)c1nc2cc(Cl)ccc2s1 76606513 IVEPOXWWXSWWFW-GFCCVEGCSA-N 318.829 4.706 30 20 DJED COc1ccc([C@H](C)N[C@H](CCC#N)c2ccccc2)cc1F 90665905 KICQEVSEISQSDN-KBXCAEBGSA-N 312.388 4.530 30 20 DJED CC[C@H](CC(=O)[C@H](C#N)c1nc(C)cs1)c1ccc(C)cc1 121512802 CBYXXPQQDCAQCK-ZBFHGGJFSA-N 312.438 4.520 30 20 DJED C[C@@H](C#N)CSc1ccccc1NCc1c(F)cccc1F 182498836 IALCVSNFJUWDMG-LBPRGKRZSA-N 318.392 4.829 30 20 DJED C[C@H](CCNc1cccc(OCCCC#N)c1)c1ccccc1 237470375 MVNKNKXDSXBFFL-QGZVFWFLSA-N 308.425 4.975 30 20 DJED Cc1nc(-c2ccccc2)sc1[C@H](C)Nc1ccc(C#N)nc1 301541758 VPWKDTBMPFDVAD-LBPRGKRZSA-N 320.421 4.558 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1cc(C(CC)CC)no1 303811051 BXVCRCFBHSWCBK-UHFFFAOYSA-N 318.461 4.787 30 20 DJED C[C@@H](C(O)=Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccccn1 328755970 FPMSZUJEQWJVNA-CYBMUJFWSA-N 324.380 4.515 30 20 DJED N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCSc3c(F)cccc31)CC2 353259289 DVPGRISDRUDELM-ROUUACIJSA-N 324.424 4.511 30 20 DJED Cc1cc(CSCc2csc(C3CC3)n2)ccc1C#N 362475684 ZVSSMBFMUPAZFH-UHFFFAOYSA-N 300.452 4.634 30 20 DJED CC(C)CCN(CCC#N)C(=O)[C@@H](C)c1ccc2ccccc2c1 439924145 DPXNLSSLMFSGBM-KRWDZBQOSA-N 322.452 4.732 30 20 DJED Cc1cc(CNc2cccc(-c3nccs3)c2)ccc1C#N 443985613 HWAHFKRLTGNVSQ-UHFFFAOYSA-N 305.406 4.602 30 20 DJED CC(C)(C#N)CCCCN[C@H](c1ccc(F)cc1)C1CCC1 444661521 HULOTBVGTWBFFQ-SFHVURJKSA-N 302.437 4.977 30 20 DJED C[C@@H](c1ccc2ccccc2c1)N(C(=O)CC(C)(C)C#N)C1CC1 447344581 AHRRPYLLNOYKFW-HNNXBMFYSA-N 320.436 4.832 30 20 DJED CC[C@H](Nc1ccc(N2CCCCC2)cn1)c1ccc(C#N)cc1 447576295 XRAALWHVMYOBMC-IBGZPJMESA-N 320.440 4.507 30 20 DJED C=C[C@H]1CCCCN1C(=O)c1ccc([C@H](C)C(F)(F)F)cc1 456032335 TYUDUZUJYFDJEK-WFASDCNBSA-N 311.347 4.533 30 20 DJED C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@@H]1c1ccccc1C 460771179 NTEDPGRKIQSPIF-GOSISDBHSA-N 324.472 4.628 30 20 DJED N#C[C@@H]1CCC[C@@H](N[C@H](c2ccc(F)cc2)C2CCCC2)C1 463281388 HGLQYOBAUFWCTM-ZMYBRWDISA-N 300.421 4.729 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)c2cc(F)cc(Cl)c2)n1 465415898 JODLXGBNVWFQFU-LBPRGKRZSA-N 322.792 4.549 30 20 DJED CC#CCCCC(=O)N1CCc2cc(Cl)c(Cl)cc2[C@H]1C 466254764 YZMNMNGOIZDHPI-GFCCVEGCSA-N 324.251 4.633 30 20 DJED CC#CCCCC(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 466657484 MJEHBHUIGUXSBT-NIQRWSHPSA-N 309.453 4.665 30 20 DJED CCC(CC)N(C(=O)c1cccc(CC#N)c1)c1cccc(C)c1 471457343 DYLSCZRQOSLQJJ-UHFFFAOYSA-N 320.436 4.897 30 20 DJED C=C(CNC(=O)Nc1c(C)cccc1SC)c1ccccc1 481328961 FPSOKKDSNWTVLL-UHFFFAOYSA-N 312.438 4.552 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1cc(Cl)ccc1F 482765632 WJVFXOBNDVLJGO-UHFFFAOYSA-N 309.812 4.688 30 20 DJED C=CCC[C@@H](C(=O)Nc1cc(F)ccc1F)c1ccccc1 487654469 RMVIXHRGPQYHOA-OAHLLOKOSA-N 301.336 4.653 30 20 DJED Cc1nc(Oc2ccc(Sc3ccncc3)cc2)ccc1C#N 488125720 MBSANYHWQRSUEM-UHFFFAOYSA-N 319.389 4.600 30 20 DJED C=CCC[C@@H](C(=O)N[C@H](C)Cc1cccs1)c1ccccc1 488319085 KTDSQWOKORJEFL-CRAIPNDOSA-N 313.466 4.545 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1cccc(CSCC)c1 488487854 NITUFSWWXZWIKF-INIZCTEOSA-N 304.459 4.512 30 20 DJED CCCc1nc(CSCc2ccc(F)cc2C#N)cs1 488554491 NBUXTHLHZSVADM-UHFFFAOYSA-N 306.431 4.540 30 20 DJED N#Cc1ccnc(N[C@@H]2CCCc3sc(Cl)cc32)c1Cl 488751655 PXAWEVVDPKDHTL-SNVBAGLBSA-N 324.236 4.811 30 20 DJED CC[C@H](CC#N)N[C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 517755055 LYJWMZCHXNTJNE-SWLSCSKDSA-N 317.820 4.646 30 20 DJED Cc1cc(N2CCCC[C@H]2C)ccc1NCc1ccc(C#N)cc1 532744017 CQLZWWZQOGJPPI-QGZVFWFLSA-N 319.452 4.858 30 20 DJED C=C[C@@H](CC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)c1ccccc1 534639599 DDGHKGOIGDOQOW-CDXJDZJCSA-N 311.469 4.774 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc2scnc2c1)c1ccccc1 536209690 LOILXNYMWJUSDY-ZDUSSCGKSA-N 308.406 4.595 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc(-c2ccc[nH]2)cc1)c1ccccc1 539322185 JUWDATKFWMFBOO-INIZCTEOSA-N 316.404 4.980 30 20 DJED C=CCCC[C@@H](C)NC(=O)N(C)[C@H](C)c1cc2ccccc2o1 540490400 QJCISRUZJRLWNS-HUUCEWRRSA-N 314.429 4.880 30 20 DJED Cc1ccccc1[C@@H](NCc1ccc(CC#N)cc1)C(C)(C)C 541327751 YRQKOSIIBAEZKE-HXUWFJFHSA-N 306.453 4.938 30 20 DJED C[C@@H]1CCc2c(F)cccc2[C@@H]1N[C@H]1CCc2ccc(C#N)cc21 567798162 FYBAMDBHDMHDIZ-HBUDHLSFSA-N 320.411 4.598 30 20 DJED CC(C)(CCC#N)CNC(=O)CC1CCC(C(C)(C)C)CC1 574474964 WGSPLQRRWCFNIY-UHFFFAOYSA-N 306.494 4.675 30 20 DJED Cc1csc(NC(=O)C[C@@H]2C[C@@H](C)c3c(C)cccc32)c1C#N 580006754 LKTPPBQHICSROF-OCCSQVGLSA-N 324.449 4.856 30 20 DJED CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCCCC#N 588330076 MAKVDMPPAUFDIQ-OALUTQOASA-N 312.457 4.645 30 20 DJED CCCOc1ccc(NC(=O)CC2(C#N)CCCCC2)c(C)c1 596879330 AFGYGOXJBYBUTB-UHFFFAOYSA-N 314.429 4.587 30 20 DJED C[C@H](CC(=O)Nc1sc2c(c1C#N)CCC2)CC(C)(C)C 603825214 ASCXQSUEXBUTFS-LLVKDONJSA-N 304.459 4.509 30 20 DJED C[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)CC[C@H]1c1ccccc1 610216151 QAAZOUZLHNKSNN-LLGFUMIMSA-N 304.437 4.745 30 20 DJED CC(C)(C#N)CCSCc1ccc(Br)cc1F 616293005 YXMYPNOLMMPPPT-UHFFFAOYSA-N 316.239 4.761 30 20 DJED CC[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cc(C)ccc1OC 618806069 NRSHKKFQBODTKF-UXHICEINSA-N 320.436 4.604 30 20 DJED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cc2c(s1)CCCC2 618806643 QUBMVCKIQUURPD-FZKQIMNGSA-N 322.477 4.837 30 20 DJED Cc1cccc2c1[C@H](C)C[C@H]2N[C@H]1CCc2cc(C#N)ccc21 618807405 UIYQGNXONQZOBW-VOBQZIQPSA-N 302.421 4.692 30 20 DJED COc1ccc(O)c(C=Nc2cc(-c3ccncc3)ccc2C)c1 726117737 CMFCYKXOLGWPGZ-UHFFFAOYSA-N 318.376 4.522 30 20 DJED CCCCc1ccc(C(=O)/C=C\c2cccc(OCC#N)c2)cc1 730151493 LINACXLGUNJGMS-RAXLEYEMSA-N 319.404 4.828 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C/c1ccccc1C(F)(F)F)C2 730948860 NOMCFSHBKGKOPK-GXDHUFHOSA-N 302.295 4.836 30 20 DJED CC(CCc1ccccc1[N+](=O)[O-])=NNc1ccccc1Cl 741452013 UKFZYSVJHVEFLM-UHFFFAOYSA-N 317.776 4.669 30 20 DJED CSc1ccc(C(=O)/C=C\c2cc(F)ccc2F)cc1F 741847543 PDQBEFRAIRDRRJ-KXFIGUGUSA-N 308.324 4.722 30 20 DJED COCc1cccc(/C=C/C(=O)c2ccc(OC(C)C)cc2)c1 742432308 VTPMUNBOUHJGOY-KPKJPENVSA-N 310.393 4.516 30 20 DJED Cc1ccsc1C(Cc1ccccc1)=NOCc1cccnc1 746577282 POEVQCUCXWGQIF-UHFFFAOYSA-N 322.433 4.615 30 20 DJED C=C(C)CN(CC)C(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 748167247 VQKUZKNYOGNGEJ-JLHYYAGUSA-N 311.347 4.533 30 20 DJED Cc1ccc([C@@H]2CCCN2Cc2ccc(O[C@H](C)C#N)cc2)cc1 768235888 AOIZQYBZVNGKBY-UTKZUKDTSA-N 320.436 4.623 30 20 DJED CC(C)=CCC/C(C)=C\C=NNc1cc(C#N)cc(Cl)n1 768379075 CZJAXAKAHCGZPB-VEGYVRBQSA-N 302.809 4.697 30 20 DJED C#CCCCCC(=O)Nc1cc(F)ccc1Oc1ccccc1 773326939 YUGCTVPLJGUHHX-UHFFFAOYSA-N 311.356 4.750 30 20 DJED C#Cc1cccc(NCc2ccc(Oc3cccnc3)c(C)c2)c1 779365350 MMJICKFVMZWWDJ-UHFFFAOYSA-N 314.388 4.776 30 20 DJED CC(=NNc1ccc2ccccc2n1)c1ccc(C#N)cc1Cl 788409534 ZKWMPYFNRCGIJV-UHFFFAOYSA-N 320.783 4.596 30 20 DJED C#CC[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 795812821 SLYINOOCIDOMND-FGZHOGPDSA-N 314.432 4.680 30 20 DJED C=CC[C@@H](N[C@H](CC)c1cccc(Cl)c1O)c1ccncc1 806139971 TUKGXRLNSIOAST-IAGOWNOFSA-N 316.832 4.799 30 20 DJED COc1ccc(/C=C/C(=O)c2csc(Cl)c2)c(C)c1OC 806572455 GKYFQNOPACRJSZ-GQCTYLIASA-N 322.813 4.623 30 20 DJED Cc1ccc2sc(C(=O)OCC(C)(C)CCC#N)cc2c1 810826587 ZVRYFBDDVJCEAH-UHFFFAOYSA-N 301.411 4.697 30 20 DJED CC(=C/c1ccccc1OC(F)F)/C=C/C(=O)c1cccnc1 811685329 PGABAGYOHXDMFX-PBEXPTJQSA-N 315.319 4.525 30 20 DJED COc1ccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)c(Cl)c1 818333406 VUFDLTLIQOEVQH-CHWSQXEVSA-N 314.816 4.632 30 20 DJED CC(C)(C)C(=O)/C=C\c1ccc(-c2cccc(C(=O)O)c2)s1 844204156 FZPUPXLMTKLTAU-NTMALXAHSA-N 314.406 4.742 30 20 DJED Cc1ccccc1/C=C/C(=O)c1sccc1Br 915113024 LQVJWLQDGDGCNE-VOTSOKGWSA-N 307.212 4.715 30 20 DJED Oc1ccccc1C=Nc1ccc(-c2cn3ccsc3n2)cc1 920943172 RHTRPUMRHRVLTD-UHFFFAOYSA-N 319.389 4.519 30 20 DJED N#CC1(CCCCN(Cc2ccco2)Cc2ccco2)CCC1 929093158 ZBQYRIXIPJGXJA-UHFFFAOYSA-N 312.413 4.739 30 20 DJED CSc1ccccc1C(=O)/C=C\c1ccc(C)c([N+](=O)[O-])c1 1116909279 SCQRBTDUSYMDRJ-KTKRTIGZSA-N 313.378 4.521 30 20 DJED N#Cc1ccc(NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 1124406669 WMGNEVNDEIYJMC-UHFFFAOYSA-N 312.328 4.710 30 20 DJED N#Cc1cccc(SCCc2cccc(OC(F)(F)F)c2)c1 1165754117 CPVUGOZIEUABFJ-UHFFFAOYSA-N 323.339 4.792 30 20 DJED CCN(Cc1ccccc1C)c1nc(C(C)(C)C)ccc1C#N 1185736025 NHCNJUZWORQYKC-UHFFFAOYSA-N 307.441 4.586 30 20 DJED Cc1cc(NC(=O)CC2(C#N)CCCCC2)ccc1OC(C)C 1265277711 XXEPCCJAIJCFOQ-UHFFFAOYSA-N 314.429 4.585 30 20 DJED Cc1cc(N[C@@H](C)CCC(C)C)n2c(nc3ccccc32)c1C#N 1306947432 DBTIYZVEXHEHFF-HNNXBMFYSA-N 320.440 4.904 30 20 DJED CCCCC1CCC(NC(=O)[C@H](CC#N)c2ccccc2)CC1 1355418924 TVRKGUPSNZNSOM-NKELODKYSA-N 312.457 4.549 30 20 DJED CCCC[C@@H](CC)CC(=O)N(C)c1ccc(C#N)c(Cl)c1 1438272567 QDGDWTQZTIQCOF-CYBMUJFWSA-N 306.837 4.781 30 20 DJED COc1ccc(C#N)cc1CN1CC[C@H](CC(C)(C)C)C1(C)C 1460225724 PQSSAOFMVOXQKL-QGZVFWFLSA-N 314.473 4.604 30 20 DJED CCN(Cc1ccc2ccccc2c1)c1ccc(Cl)c(C#N)n1 1472725310 BICHASWXISYKQB-UHFFFAOYSA-N 321.811 4.786 30 20 DJED C[C@H](OC(=O)c1ccc(Cl)c(C#N)c1)c1ccc(Cl)cc1 1524902540 FXWATCTVIOYOPQ-JTQLQIEISA-N 320.175 4.783 30 20 DJED Cc1cc(C#N)cc(NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)c1 1525310912 UMIZYOZXTKWJJF-WOJBJXKFSA-N 318.420 4.779 30 20 DJED C=C(Cl)CN[C@@H](c1ccc(OCC)c(OCC)c1)C(C)C 1559696910 NFGOSLMSDKSKDT-QGZVFWFLSA-N 311.853 4.523 30 20 DJED Cc1[nH]nc(NCc2cccc(-c3ccc(Cl)cc3)c2)c1C#N 1560497164 CTKKEJLESZBGEA-UHFFFAOYSA-N 322.799 4.522 30 20 DJED CC(C)Oc1cccc([C@@H](C)NCCC2(C#N)CCCCC2)c1 1642496093 RHBPGBFIVFDWBO-QGZVFWFLSA-N 314.473 4.989 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1CCC[C@@](C)(c2ccccc2)C1 1652475917 DBIXVQXGIQTIAO-LAUBAEHRSA-N 304.437 4.673 30 20 DJED CC[C@H](Cc1ccccc1)N(C)Cc1ccccc1C(C)(C)C#N 1657431497 MCYHEDYOSYNEFU-HXUWFJFHSA-N 320.480 4.941 30 20 DJED CC(C)(CC#N)CNCc1ccc(-c2ccccc2F)s1 1658102934 ZYYVXRSDOUZKJZ-UHFFFAOYSA-N 302.418 4.584 30 20 DJED Cc1ccc([C@@H](C)CN(Cc2ccc(C#N)cc2)C(C)C)cc1 1658858212 ATJYBTOWFMPLBF-SFHVURJKSA-N 306.453 4.881 30 20 DJED C=C(CNC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 1666860958 NSPDWOYYTCFLLW-UHFFFAOYSA-N 320.314 4.540 30 20 DJED C=C(CNC(=O)Nc1cc(C)c(Cl)c(C)c1)c1ccccc1 1669271734 ZPZZOGBXXQJGEW-UHFFFAOYSA-N 314.816 4.792 30 20 DJED CC[C@H](NC(=O)Nc1sccc1C#N)c1ccc(Cl)cc1 1673278214 DEWSVHXGWVZSBL-ZDUSSCGKSA-N 319.817 4.546 30 20 DJED Cc1c(NN=C[C@@H](c2ccccc2)C(C)C)cccc1C(=O)O 1776088142 SJGQFUMSKSZLSW-QGZVFWFLSA-N 310.397 4.531 30 20 DJED CC[C@H](C)c1ccc(C(=O)/C=C/c2csc(C(=O)O)c2)cc1 1776697237 BKNGGHUSLSXISG-KFRNIWOLSA-N 314.406 4.856 30 20 DJED CCOc1cc(/C=C/C(=O)c2cc(C)sc2C)ccc1OC 8322649 JLAQWHIMNXCXBP-SOFGYWHQSA-N 316.422 4.668 30 20 DJED CC(C)(C)[C@@H](NCc1cc(C#N)ccc1F)c1ccc(F)cc1 53644119 XURNYNZNPCVPSA-SFHVURJKSA-N 314.379 4.713 30 20 DJED C[C@H](C#N)Oc1ccc(CN2CCCCC[C@@H]2c2ccco2)cc1 93441663 ROHFNBXRXAFVME-VQIMIIECSA-N 324.424 4.688 30 20 DJED C[C@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2)c2ccsc2S1 130430863 JPJGHXMOXGAION-MKBNYLNASA-N 314.479 4.896 30 20 DJED CCc1cc2c(N[C@H](CCC#N)c3ccccc3)ncnc2s1 164335960 STNXGHMSWWWSRY-MRXNPFEDSA-N 322.437 4.711 30 20 DJED C[C@@H](Nc1ccc(CC(F)(F)F)cc1)c1ccc(C#N)cc1 174150875 RQNAQTPUPICOHN-GFCCVEGCSA-N 304.315 4.836 30 20 DJED N#Cc1ccccc1NC(=O)c1ccc(-c2ccccc2)s1 176861793 FRXPRVKKLKXDGV-UHFFFAOYSA-N 304.374 4.539 30 20 DJED CC(C)(C#N)CCC[S@](=O)Cc1ccc(C(C)(C)C)cc1 177946871 YKZOFNNMWWAZPK-NRFANRHFSA-N 305.487 4.563 30 20 DJED C=CCCCN[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 182562875 UFFOKJHGZFPVKP-INIZCTEOSA-N 308.425 4.556 30 20 DJED COc1ccc(C(=O)/C=C/c2ccccc2OC(C)C)c(F)c1 301492398 IXZVWMDWLUHSGF-DHZHZOJOSA-N 314.356 4.518 30 20 DJED N#Cc1ccc2nc(NCc3ccc(Cl)cc3F)ccc2c1 302371547 AFSNUNYSCKNZCU-UHFFFAOYSA-N 311.747 4.511 30 20 DJED Cc1c([C@H](C)Nc2ncc(C#N)cc2Cl)oc2ccccc12 302736148 WUVFURIAJIBVRG-NSHDSACASA-N 311.772 4.834 30 20 DJED Cc1cccc([C@@H]2CCCCCN2C(=O)c2ccc(C#N)cc2)c1 303647431 CXKNVCBQYSACCF-FQEVSTJZSA-N 318.420 4.624 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](c2ccccc2)CC1 303690159 LVDRMOZUDJDWKI-DYESRHJHSA-N 304.437 4.889 30 20 DJED CCc1nc(C)c([C@H](C)N(C)CCCCC(C)(C)C#N)s1 409446896 MMKGAUFXPMCODV-AWEZNQCLSA-N 307.507 4.727 30 20 DJED C=CCCCS[C@@H]1CCCN(c2ccccc2Cl)C1=O 437268727 MOJASRRBMPGUFU-OAHLLOKOSA-N 309.862 4.535 30 20 DJED Cc1ccc2oc(-c3noc(C4(C#N)CCCCC4)n3)cc2c1 445775792 RKRQCGVXYKFEHH-UHFFFAOYSA-N 307.353 4.517 30 20 DJED C=CC[C@@H](CC)NC(=O)N(Cc1cccc(Cl)c1)C(C)C 466378874 UDHVWSXZSNDZBP-MRXNPFEDSA-N 308.853 4.615 30 20 DJED C=C[C@@](C)(CC)C(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 468281940 NJJHGILMGCCHMK-LRDDRELGSA-N 313.363 4.527 30 20 DJED C=C(C)[C@@H](NCc1ccc(OCC)cc1)c1ccc(F)c(F)c1 479411920 RSVIKTFIRLTOFU-LJQANCHMSA-N 317.379 4.771 30 20 DJED Cc1ccc(C[C@@H](NCCCCC#N)c2ccc(C)cc2)cc1 482436115 IJORMIPAXUGYKX-OAQYLSRUSA-N 306.453 4.871 30 20 DJED C=CCN(CCc1ccco1)C(=O)Nc1cccc(C(C)C)c1 491271729 QHQZLRNBBMNLKZ-UHFFFAOYSA-N 312.413 4.666 30 20 DJED N#CCCCOc1cccc(NC[C@H]2C[C@@H]2c2ccccc2)c1 503041977 CNMCBFMVPPKCRC-YLJYHZDGSA-N 306.409 4.585 30 20 DJED CN(Cc1cccc(C#N)c1F)Cc1csc2ccccc12 512449440 HEFORHTYGZUFJX-UHFFFAOYSA-N 310.397 4.544 30 20 DJED C=CC[C@@H]1N(Cc2ncc(CSC)s2)CCCC1(C)C 513271187 JBKBIHCINXKTGO-AWEZNQCLSA-N 310.532 4.573 30 20 DJED N#Cc1ccccc1CN1CCCC[C@@H]1c1cc2ccccc2[nH]1 513497204 SQEGQILSUOHVTQ-OAQYLSRUSA-N 315.420 4.767 30 20 DJED C[C@H](SCCCOc1ccc(F)cc1)c1ccc(C#N)cc1 522839860 OXKAWXRLAYIKQD-AWEZNQCLSA-N 315.413 4.961 30 20 DJED Cc1ccc([C@@H]2CCCN2c2ccc3cc(C#N)ccc3n2)cc1 540079076 MZOWBBDOBKFJQU-FQEVSTJZSA-N 313.404 4.756 30 20 DJED C=CCC[C@@H](NCc1ccc(Cl)cc1OC)c1ccco1 552268498 LQLVVLIREUKQSG-OAHLLOKOSA-N 305.805 4.739 30 20 DJED C[C@@H](N[C@@H]1CCc2sc(Cl)cc21)c1cccc(C#N)c1 569630221 WFNPYEJSOJSHPS-QMTHXVAHSA-N 302.830 4.611 30 20 DJED N#Cc1cccc([C@@H]2C[C@H]2c2nc(C3CCCCCC3)no2)c1 574573156 UAPAHQOVWGKHFX-DLBZAZTESA-N 307.397 4.650 30 20 DJED C=CCNc1nnc(SCc2ccc3ccccc3c2)s1 606755780 GWQOXHUDJLMRQI-UHFFFAOYSA-N 313.451 4.582 30 20 DJED C=CCCCCCN(C)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 606814577 MYSWOSWKKHJWLA-IRXDYDNUSA-N 305.849 4.648 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(-c2ccccc2)o1 618742114 JVJGVEICYBDRQP-FQEVSTJZSA-N 314.388 4.595 30 20 DJED C=C[C@H]1CCCCN1C(=O)c1cc2c(Cl)cccc2s1 683788262 KOUFBCZXQVNCDK-NSHDSACASA-N 305.830 4.735 30 20 DJED C#Cc1cccc(N(CC)C(=O)C[C@@H](CC)c2ccccc2)c1 728824929 VNSPNEMBXNYXMX-GOSISDBHSA-N 305.421 4.605 30 20 DJED C[C@@H](NC(=O)Nc1cccc(C#N)c1)c1csc2ccccc12 730020977 VFHBIITVAKBAGU-GFCCVEGCSA-N 321.405 4.656 30 20 DJED C#CCOc1ccc(CN[C@H](CC(C)C)c2cccs2)cc1 733325152 AVKVDAIQTVFKHK-GOSISDBHSA-N 313.466 4.637 30 20 DJED CCCCCCC[C@H](C)CNC(=O)N[C@@H](C)c1c(C)noc1C 733803141 HPFTWQYXPNZPBV-KBPBESRZSA-N 323.481 4.648 30 20 DJED C=CCCCOC(=O)c1csc(-c2ccc(Cl)cc2)n1 735527511 HZJDXAHTGJZEQE-UHFFFAOYSA-N 307.802 4.587 30 20 DJED CCCCCCCCC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C 735642325 XRVWSGSNRKVZQZ-WMZOPIPTSA-N 311.510 4.695 30 20 DJED CCn1nc(C)c(/C=C\C(=O)c2cc3cc(C)c(C)cc3o2)c1C 749132014 JAMVAGMOJXRIFO-FPLPWBNLSA-N 322.408 4.779 30 20 DJED C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)CC(F)(F)F)cc1 768271168 KBMOHAZHPCHKPG-NWDGAFQWSA-N 321.770 4.809 30 20 DJED C#CC[C@H](N[C@@H](C)c1ccc(F)c(Cl)c1)c1ccccc1 773106264 KYAXHABGZXITLP-UGSOOPFHSA-N 301.792 4.894 30 20 DJED C#CC[C@@H](N[C@H](CC)c1ccc(N(C)C)cc1)c1ccccc1 773115682 OEFMHEVKDXKNHL-NHCUHLMSSA-N 306.453 4.558 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1cccc(SC(F)F)c1 785777344 RKXUOKLZYPDFHP-GFCCVEGCSA-N 312.385 4.574 30 20 DJED COc1ccc2nc(/C=C3/CCc4ccccc4C3=O)sc2c1 788732646 OPZOEFKIHBYLMI-RAXLEYEMSA-N 321.401 4.517 30 20 DJED CC(C)n1nccc1C=NN(Cc1ccccc1)c1ccccc1 794452246 UIVCKJYHHLPCQB-UHFFFAOYSA-N 318.424 4.505 30 20 DJED N#C[C@H](OC(=O)c1csc(-c2ccc(Cl)cc2)c1)C1CC1 796943100 PWRZKBZZWCWJFU-AWEZNQCLSA-N 317.797 4.527 30 20 DJED CC(C)[C@H](OC(=O)CCCC#N)c1ccc(C(F)(F)F)cc1 813079066 ZOVQNDXOLXXSPB-HNNXBMFYSA-N 313.319 4.640 30 20 DJED N#Cc1ccc(NN=C2CC[C@@H]2C2CCC2)c(C(F)(F)F)c1 814923577 UTTFJICVQUMVOQ-GFCCVEGCSA-N 307.319 4.555 30 20 DJED CCCCCCCSc1nnc(-c2ccccc2OC)o1 915792147 QNCGBQKZASMJFU-UHFFFAOYSA-N 306.431 4.808 30 20 DJED CCC(=NNc1nncc2ccccc12)c1ccc(Cl)cc1 915909895 SNXNJJDNYCYWPB-UHFFFAOYSA-N 310.788 4.509 30 20 DJED N#Cc1ccnc(/C=C\c2ccc(Cl)c(C(F)(F)F)c2)c1 1117390885 BQAZDYCGMIMGMJ-IWQZZHSRSA-N 308.690 4.796 30 20 DJED N#C[C@H](C(=O)CCCCc1ccccc1)c1nc(C2CC2)cs1 1122988298 SQAWEPHOKHREIF-MRXNPFEDSA-N 324.449 4.610 30 20 DJED CCCC[C@H](CC)CCCN(C)C(=O)c1csc(C#N)c1 1131435643 AGWQVWJHPKIEDX-AWEZNQCLSA-N 306.475 4.688 30 20 DJED Cc1cc(C#N)ccc1CN1C[C@@H](C)C[C@H]1c1cccc(F)c1 1191244878 OHZLIFCLYCHNHJ-XOBRGWDASA-N 308.400 4.589 30 20 DJED COc1ccc(C#N)cc1CN1CCCc2cc(C(C)C)ccc21 1191723404 QIAGOWAIVQFEQW-UHFFFAOYSA-N 320.436 4.643 30 20 DJED Cc1ncc(-c2ccccc2)cc1NCc1ccc(C#N)cc1F 1201872232 GUPGJTUFAVPWII-UHFFFAOYSA-N 317.367 4.680 30 20 DJED CC[C@@H](Cc1ccc(C)cc1)N(CC)Cc1ccc(F)c(C#N)c1 1307493003 RWTVIDIHOBXGMT-FQEVSTJZSA-N 324.443 4.849 30 20 DJED C=CCC[C@@H](C(=O)Nc1ccc(C)nc1Cl)c1ccccc1 1337645119 IIYJESNGXQRZRB-OAHLLOKOSA-N 314.816 4.732 30 20 DJED C[C@@H](CCC(=O)O[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 1354917162 CBHFFPBJLSJJCX-HOTGVXAUSA-N 307.393 4.746 30 20 DJED CC(C)[C@@H](CC1CCCCC1)C(=O)Nc1ccc(C#N)c(C#N)c1 1361044492 ZPHSFVHKFOBLTO-LJQANCHMSA-N 323.440 4.611 30 20 DJED CC1(CNc2c(Br)cccc2C#N)CCCCC1 1472797623 GVJQKFAFLMRQHQ-UHFFFAOYSA-N 307.235 4.703 30 20 DJED CC(C)[C@H](CC1CCCCC1)C(=O)Nc1cc(F)cc(C#N)c1 1588159325 MGVLHUAKSFCTQE-SFHVURJKSA-N 316.420 4.878 30 20 DJED CC[C@H](C)CN(CC)c1cc(C)c(C#N)c2nc3ccccc3n12 1651589806 BPIDUWCXLIGLHM-AWEZNQCLSA-N 320.440 4.540 30 20 DJED C[C@H](c1ccc(F)cc1)N1CCC(c2ccc(C#N)cc2)CC1 1656288736 GFLXRFZSKWXQLD-OAHLLOKOSA-N 308.400 4.638 30 20 DJED COC1CCC(Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 1657866573 NRICYORSTLTSHZ-UHFFFAOYSA-N 322.408 4.720 30 20 DJED Cc1c(C#N)cccc1NCc1ccc(SC(F)F)cc1 1662555793 KGXNHCKBJJJODA-UHFFFAOYSA-N 304.365 4.794 30 20 DJED CC(CCCCCCC(=O)O)=NNc1ccc(Cl)c(C)c1 1776105342 ZKRFYCKGNUCPHA-UHFFFAOYSA-N 310.825 4.861 30 20 DJED CC(C)Cc1ccc(C(=O)/C=C\c2csc(C(=O)O)c2)cc1 1776339830 SYFIMXGNDNQWPY-YVMONPNESA-N 314.406 4.541 30 20 DJED CCCOc1ccc(NCc2cccc(C#N)c2)cc1Cl 37780762 FHSICCTVXAHWTM-UHFFFAOYSA-N 300.789 4.613 30 20 DJED C=C(C)CN(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 55102594 QNBLIDLJHJJWJE-MRXNPFEDSA-N 308.425 4.508 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccs1 77687479 ZXXNJPDIUCILPE-UHFFFAOYSA-N 310.403 4.601 30 20 DJED CC[C@@H](CC(=O)[C@H](C#N)c1nc(C)cs1)c1ccc(C)cc1 121512657 CBYXXPQQDCAQCK-HOCLYGCPSA-N 312.438 4.520 30 20 DJED CC1(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 122786866 YFZXUGSDXCBZSC-INIZCTEOSA-N 324.811 4.734 30 20 DJED CC(C)(C#N)CCCOc1cccc(NC(=O)OC(C)(C)C)c1 135507354 UCLFRCVSIQVKKI-UHFFFAOYSA-N 318.417 4.742 30 20 DJED COc1cccc(C(=O)/C=C\c2ccccc2C(F)(F)F)c1 149431977 UAHVTPOMQNJCJU-KTKRTIGZSA-N 306.283 4.610 30 20 DJED Cc1cc(C(=O)/C=C/c2ccccc2OC(F)F)c(C)s1 164167394 DHANTQUJIPABFN-BQYQJAHWSA-N 308.349 4.862 30 20 DJED N#CCCCCNC(=O)Nc1ccccc1SC1CCCC1 171369691 FAQXXBZHZLMOCA-UHFFFAOYSA-N 317.458 4.537 30 20 DJED C[C@H](NC1(c2ccc(F)cc2F)CCC1)c1ccc(C#N)cc1 179752615 LNIWPWUFHAAURG-ZDUSSCGKSA-N 312.363 4.566 30 20 DJED C=C(C)CN(C)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 181537208 LHGCAGKDNHOYKK-UHFFFAOYSA-N 321.380 4.535 30 20 DJED C[C@H](NCc1ccc(F)c(C#N)c1)c1cc2ccccc2s1 184379737 JZQGXWBIFZOWHM-LBPRGKRZSA-N 310.397 4.763 30 20 DJED C#Cc1cccc(N[C@H](C)CC(=O)Nc2ccccc2C(C)C)c1 188074221 UFBPXYJUPLNNJJ-MRXNPFEDSA-N 320.436 4.621 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1ccc(Cl)cc1 277476114 WKOZKZHUHBQVPH-MRXNPFEDSA-N 311.853 4.633 30 20 DJED CC(C)(CCNc1ccc(C#N)c(Br)c1)C1CC1 328570575 RTQSZDJQFFPFAN-UHFFFAOYSA-N 307.235 4.559 30 20 DJED Cc1csc([C@@H](C)/N=C(/O)Nc2ccc(C3CCC3)cc2)n1 330198257 SZRFHYGPBJPRJS-GFCCVEGCSA-N 315.442 4.806 30 20 DJED C=CC[C@@H](CC)NC(=O)N[C@H]1CCSc2ccc(Cl)cc21 346601724 JKEGBSJQHKMNIN-OCCSQVGLSA-N 324.877 4.531 30 20 DJED C=CCC[C@H](N[C@@H]1CCCc2cnn(C(C)C)c21)c1ccco1 367597170 REDBRIABWNUWFO-DLBZAZTESA-N 313.445 4.732 30 20 DJED CC[C@@H](N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(C#N)cc1 436303561 CMXYTIXQGJYFHM-MISYRCLQSA-N 308.400 4.684 30 20 DJED Cc1cccc(Oc2ccccc2CN[C@@H]2CC[C@H](C#N)C2)c1 442776129 BLGAOHHARIFZMD-FUHWJXTLSA-N 306.409 4.569 30 20 DJED CC1(C)CCC[C@H](C(=O)Nc2ccc(CC#N)cc2Cl)C1 452649774 YBQYMUMYDYOZSM-ZDUSSCGKSA-N 304.821 4.561 30 20 DJED CCN(C(=O)c1cc2cc(C)ccc2s1)c1ccc(C#N)cc1 463957647 FPHWNPJXYNJSKL-UHFFFAOYSA-N 320.417 4.748 30 20 DJED CC(C)(C)CN(CCC#N)CC1CCC(C(F)(F)F)CC1 468409774 VOYMVILSMYTXDM-UHFFFAOYSA-N 304.400 4.617 30 20 DJED CC[C@H](C)n1ncc(N[C@H]2CCCCc3cc(C#N)ccc32)c1C 481997864 AZUWXLAGXRGPAD-LIRRHRJNSA-N 322.456 4.914 30 20 DJED C=CCSc1ccccc1C(=O)N1CC[C@H](c2ccccc2)C1 485455311 OQJDYHNIFFFZPQ-KRWDZBQOSA-N 323.461 4.594 30 20 DJED N#Cc1ccc(CN2CCC[C@@H]2c2ccccc2Cl)s1 507170219 MIQGBDZUCVWXBO-MRXNPFEDSA-N 302.830 4.610 30 20 DJED Cc1cccc(Oc2ccc(NC(=O)C3(C#N)CC(C)C3)cc2)c1 531555078 WGFLEXQGFITDOQ-UHFFFAOYSA-N 320.392 4.666 30 20 DJED C[C@@H](NC1CCC(Oc2ccccc2C#N)CC1)c1ccccc1 537979516 KGRXURIFTYPZAR-PBPGXSGUSA-N 320.436 4.599 30 20 DJED C=C(CC)CS[C@H](C)C(=O)Nc1ccccc1C(F)(F)F 552971592 GLHROXGCBCSHOH-LLVKDONJSA-N 317.376 4.732 30 20 DJED CN(Cc1ccc(-c2ccc(F)cc2)s1)CC(C)(C)C#N 561314257 BWZJHVPQDONNMX-UHFFFAOYSA-N 302.418 4.536 30 20 DJED Cc1cc(S[C@H](C#N)Cc2ccccc2)nc2ccccc12 604020653 ZFQMZVJWGPIOGX-INIZCTEOSA-N 304.418 4.770 30 20 DJED C[C@@H](CC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(F)cc1 604113645 WYLVHMNPZSIFQU-AWEZNQCLSA-N 324.399 4.759 30 20 DJED C=C(C)CNC(=O)c1sc2cccc(Cl)c2c1Cl 681674689 OJBPKKMMARNEQG-UHFFFAOYSA-N 300.210 4.514 30 20 DJED CCCC(Cc1ccccc1)=NNc1oc(CC(C)C)nc1C#N 727257625 VGAXWWCXGRENCK-UHFFFAOYSA-N 324.428 4.555 30 20 DJED C=C(Cl)CNC(=O)Nc1ccc(SC(C)(C)C)cc1C 736968661 HSJAIQVIRSSZPL-UHFFFAOYSA-N 312.866 4.760 30 20 DJED Cc1sc2ncnc(NN=Cc3ccccc3C3CC3)c2c1C 751129758 NDTQXBDUNNRHTB-UHFFFAOYSA-N 322.437 4.632 30 20 DJED CC(=NOCc1ccc(C(F)(F)F)cc1)c1ccc(N)cc1C 758121009 XNJUKWXMODGVHH-UHFFFAOYSA-N 322.330 4.537 30 20 DJED COc1cc(F)cc(NN=CC2CCC(C(F)(F)F)CC2)c1 767386277 UCHDJBMBQGWEDC-UHFFFAOYSA-N 318.314 4.601 30 20 DJED CCCCCOc1ccc(C(=O)/C=C\c2cncs2)cc1 767717569 BMBWISWLCAXLMO-KTKRTIGZSA-N 301.411 4.608 30 20 DJED CC(C)Oc1ccc(N[C@@H](C)CCCC(F)(F)F)cc1C#N 775967707 BLDGCAVYNFYLEL-LBPRGKRZSA-N 314.351 4.878 30 20 DJED C[C@@H](NCC1(C)CCCCCC1)c1ccc(OCC#N)cc1 776309478 JWDWYSBEOCYTCL-MRXNPFEDSA-N 300.446 4.600 30 20 DJED COc1ccc(-c2ccccc2)cc1/C=C\C(=O)c1cc(C)on1 806556202 PKSQHCKPOFTHKK-NTMALXAHSA-N 319.360 4.555 30 20 DJED N#Cc1c(F)cccc1/C=C\C(=O)c1ccc(Cl)cc1Cl 811685395 QPICHVGWBVHWKZ-DAXSKMNVSA-N 320.150 4.900 30 20 DJED C[C@H](OC(=O)CC1(C#N)CCCCC1)c1cnc2ccccc2c1 850803350 ZPUMNSLWXUIJKC-HNNXBMFYSA-N 322.408 4.703 30 20 DJED C=CCN(Cc1ccccc1)C(=S)Nc1ccc(Cl)cc1 914601720 IJJRSKXOJVTJEO-UHFFFAOYSA-N 316.857 4.725 30 20 DJED CCC(=NNc1nc(C)cc(C)n1)c1ccc(Cl)cc1Cl 916241175 LEQOUYTVBSAPIH-UHFFFAOYSA-N 323.227 4.626 30 20 DJED N#C[C@H](C(=O)C=C1CCCC1)c1nc2cc(Cl)ccc2s1 918492124 MSGQDHPFHFTIMM-GFCCVEGCSA-N 316.813 4.626 30 20 DJED CCCCCCCCCN(C)C(=O)Cc1noc2ccccc12 918668708 QVUCMPVISOOENJ-UHFFFAOYSA-N 316.445 4.579 30 20 DJED CCCCCCCC(=O)Nc1ccc(N(C)C(=O)OCC)cc1 919768414 BHNZTJZJINYDON-UHFFFAOYSA-N 320.433 4.578 30 20 DJED C[C@H](CC(C)(C)C#N)Nc1cccc(COCc2ccco2)c1 925750831 IKTANWYDQSBDAQ-OAHLLOKOSA-N 312.413 4.737 30 20 DJED Cc1ccc(N(CC(C)C)C(=O)c2cc(C#N)ccc2F)c(C)c1 1130779103 TXHFDLQSCQNAFF-UHFFFAOYSA-N 324.399 4.617 30 20 DJED C[C@H]1[C@H](c2ccccc2)CCN1Cc1ccc(Cl)cc1C#N 1191444247 JYFPCXYSIBCETB-IFXJQAMLSA-N 310.828 4.590 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C[C@@]1(C)C[C@@H]1c1ccccc1 1204804262 ZLCMXDJNQRPXPV-FGZHOGPDSA-N 318.464 4.964 30 20 DJED CSc1ccc([C@@H](C)Nc2ccc(OCC#N)cc2)cc1F 1254228220 HNIZZMWRAMZGML-GFCCVEGCSA-N 316.401 4.623 30 20 DJED CCC(C)(C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1264507737 SAVQZIPJOSLWDM-UHFFFAOYSA-N 323.440 4.731 30 20 DJED C[C@H]1CCN(CCC(C)(C)C#N)c2cc(Cl)ccc2S1 1307568585 UUWAWVHOMJHRFK-LBPRGKRZSA-N 308.878 4.971 30 20 DJED CN(C(=O)Nc1cccc(CC#N)c1)c1cccc2ccccc12 1310752212 XTMFRQITNHJANL-UHFFFAOYSA-N 315.376 4.574 30 20 DJED CCc1ccc(C(=O)N(CCC#N)c2ccc(F)cc2)cc1CC 1320058536 JKEVWAHREMPUCZ-UHFFFAOYSA-N 324.399 4.511 30 20 DJED CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc2c(c1)oc1ccccc12 1324125495 NPULEZOLJPVERA-FQEVSTJZSA-N 320.392 4.644 30 20 DJED CC[C@@H](C)c1ccc([C@@H](C)NCc2cccc(OCC#N)c2)cc1 1331296393 JHWANLTVZOKSBJ-IAGOWNOFSA-N 322.452 4.953 30 20 DJED N#Cc1ccc(CCN[C@H](c2ccc(F)cc2)C2CCCC2)cc1 1459883141 YJWIEAUGOLCFRJ-NRFANRHFSA-N 322.427 4.761 30 20 DJED C=C(CNC(=O)C[C@@H](C)c1ccc(CC)cc1)c1ccccc1 1460680720 KYYAGQARKKTFMV-MRXNPFEDSA-N 307.437 4.572 30 20 DJED C[C@@]1(CCc2ccccc2)CCN(Cc2ccc(C#N)cc2F)C1 1461916197 CBKZUXHHCZLJLL-OAQYLSRUSA-N 322.427 4.542 30 20 DJED CCc1ccc2ccccc2c1CNc1nccc(C)c1C#N 1472872917 ZADOMCXNMROGSF-UHFFFAOYSA-N 301.393 4.589 30 20 DJED Cc1oc(-c2ccccc2)c(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c1C 1528491400 YHLHIVLFORDQBY-WBVHZDCISA-N 323.392 4.803 30 20 DJED N#Cc1cc(C(=O)Nc2ccccc2Oc2ccccc2)cs1 1530315580 RHPFHLBKSONFJB-UHFFFAOYSA-N 320.373 4.664 30 20 DJED CCc1nc(C#N)cc(N[C@H](c2ccccc2)C2CCCCC2)n1 1559069354 MVCIGHMZXUTUGI-HXUWFJFHSA-N 320.440 4.644 30 20 DJED CCC[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)C(C)(C)C 1564398983 WPECFGKZZDZPTD-DLBZAZTESA-N 315.461 4.545 30 20 DJED CC(C)[C@H](OC(=O)CC(C)(C)C#N)c1ccc2c(c1)CCCC2 1586007405 NTAFRCHMQMMOBD-IBGZPJMESA-N 313.441 4.746 30 20 DJED CCc1ccc([C@H]2CCCCCN2CCc2ccc(C#N)cc2)o1 1641828464 KLJXZHAEDLBSCI-HXUWFJFHSA-N 322.452 4.873 30 20 DJED CC[C@H](CN(CC)Cc1ccc(C#N)cc1C)c1ccccc1 1642791035 KIUCGJYHDFFUMB-LJQANCHMSA-N 306.453 4.882 30 20 DJED C[C@@H](Nc1ncc(C#N)cc1F)c1cccc(Cl)c1Cl 1650777035 PDFDTUKJICGDHD-MRVPVSSYSA-N 310.159 4.572 30 20 DJED CC(C)c1nc(SCc2cccc(C#N)c2)c2ccccc2n1 1651951163 ZTRQHZYPKZYBNY-UHFFFAOYSA-N 319.433 4.917 30 20 DJED CCC[C@@H](Cc1ccccc1)Nc1ncc(Cl)c(C)c1C#N 1655095394 LVLLINZHCJFWIN-HNNXBMFYSA-N 313.832 4.738 30 20 DJED C[C@@H](CCC#N)CN1CC=C(c2ccccc2C(F)(F)F)CC1 1663800136 TZFRUWAPOYZWMA-AWEZNQCLSA-N 322.374 4.734 30 20 DJED COc1cccc(/C=C/C(=O)c2ccc(C)s2)c1OC(C)C 8080430 ATUUMCPHXWJZRT-MDZDMXLPSA-N 316.422 4.748 30 20 DJED N#Cc1cccc(C(=O)Nc2ccccc2-c2cccs2)c1 71815001 AAVMOXOAMUMSGL-UHFFFAOYSA-N 304.374 4.539 30 20 DJED CC(C)c1cnc(COc2ccc(-c3ccc(C#N)cc3)cc2)o1 78680221 DOWCNRZCEZYOTF-UHFFFAOYSA-N 318.376 4.916 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)c2sccc2C2CC2)n1 80454631 XYLJATMTFGURRA-LBPRGKRZSA-N 316.451 4.695 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2cnc(-c3cccs3)s2)cc1 83522435 CRLGELWYDDVTNI-BQYQJAHWSA-N 322.414 4.639 30 20 DJED CCCC[C@H](NCc1cccc(C#N)c1)c1ccc(OC)cc1 103172599 WXECSWBMFOQHFW-FQEVSTJZSA-N 308.425 4.588 30 20 DJED CCCC(C#N)(CCC)NC(=O)c1ccc(Cl)cc1Cl 106422528 SOVIYFHFEWYFGF-UHFFFAOYSA-N 313.228 4.586 30 20 DJED C=CCCCSCC(=O)Nc1cccc(Cl)c1Cl 117944502 JAYYPJFYWDPMAI-UHFFFAOYSA-N 304.242 4.631 30 20 DJED C[C@@H](c1ccc(Cl)c(Cl)c1)[S@@](=O)CCC(C)(C)C#N 123483933 AUPQVQWAGFVPMU-APBUJDDRSA-N 318.269 4.743 30 20 DJED N#Cc1ccc(NCc2cnoc2-c2ccc(Cl)s2)cc1 135544101 ITUICZDCTQLNQC-UHFFFAOYSA-N 315.785 4.540 30 20 DJED C=CCC[C@@H](C(=O)Nc1ccc(F)cc1OC)c1ccccc1 186582223 MXLCVHARALHUJU-MRXNPFEDSA-N 313.372 4.523 30 20 DJED C=CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 230526984 MUJWSFBPYYPKDZ-UHFFFAOYSA-N 320.219 4.755 30 20 DJED O=C(/C=C\c1csc(-c2ccsc2)n1)c1ccccc1F 255064695 YQCZPINNKQDAPB-WAYWQWQTSA-N 315.394 4.907 30 20 DJED CC(C)Oc1cccc([C@@H](C)Nc2ccc(Cl)c(C#N)n2)c1 301186195 VAZIBKWQGGHOKY-GFCCVEGCSA-N 315.804 4.567 30 20 DJED Cc1cc(C)c(NC(=O)C[C@@H](CC#N)c2ccccc2)c(C)c1 354832493 IFJYKLLOWOHZLG-GOSISDBHSA-N 306.409 4.638 30 20 DJED C[C@@H](CCCC(F)(F)F)N[C@H]1CCCc2cc(C#N)ccc21 426065068 XKFMNBUEFMTJMH-LRDDRELGSA-N 310.363 4.646 30 20 DJED N#Cc1ccc(COc2cnccc2-c2ccccc2)c(Cl)c1 434747812 ROPMRNSYCYMDLT-UHFFFAOYSA-N 320.779 4.853 30 20 DJED C=Cc1ccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1 453780581 PKVLRBSRTDGYRU-AWEZNQCLSA-N 310.422 4.574 30 20 DJED N#Cc1ccc(CN2CCC(c3cccc(Cl)c3)CC2)s1 475575128 QESDXACLEDUSIW-UHFFFAOYSA-N 316.857 4.653 30 20 DJED C=C(C)[C@@H](NCc1cc(F)cc(F)c1)c1ccc(F)c(F)c1 479405519 DPNAQALSRXCRKO-QGZVFWFLSA-N 309.306 4.650 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc(C)cc1NCC)c1ccccc1 480810136 FMCQVORBJGNCOQ-INIZCTEOSA-N 308.425 4.725 30 20 DJED Cc1cc(CN[C@@H](C)c2cccc(C(F)(F)F)c2)ccc1C#N 488112534 ZRIGJOFWWSDTNW-ZDUSSCGKSA-N 318.342 4.736 30 20 DJED COc1ccc2cc(CNc3c(F)cc(C#N)cc3F)ccc2c1 500506917 ZXIVNHNRJRNINL-UHFFFAOYSA-N 324.330 4.610 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 510040544 KUERABAKQSQEGB-YJBOKZPZSA-N 312.457 4.732 30 20 DJED CCC(C)(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 520915389 QECOQVLSAHXBRP-UHFFFAOYSA-N 308.381 4.725 30 20 DJED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1Cl 552969331 MXLZDHBOBIEHMC-ORAYPTAESA-N 310.828 4.940 30 20 DJED C=CCOc1ccc(CN[C@@H](CCC)c2ccsc2)cc1 565849404 LNAQUHDDQZCAHL-SFHVURJKSA-N 301.455 4.944 30 20 DJED N#CCCCCCC(=O)NCc1ccccc1Oc1ccccc1 588154667 ADZFOMHGZPXQEQ-UHFFFAOYSA-N 322.408 4.569 30 20 DJED Cc1ccc(-c2nc(/C=C\C(=O)c3cncc(C)c3)cs2)cc1 588476597 WJLCZPLAZAYZQR-FPLPWBNLSA-N 320.417 4.718 30 20 DJED CC(C)C[C@](C)(C#N)NC(=O)c1cc2c(Cl)cccc2s1 604546228 YEWLGHJXMBUYRN-MRXNPFEDSA-N 320.845 4.613 30 20 DJED Cc1ccc(Nc2nnc(SCCC(C)(C)C#N)s2)cc1 610285991 RQEJKUKUJBFEBD-UHFFFAOYSA-N 318.471 4.622 30 20 DJED C=CCN(C(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C(C)(C)C 622945528 GXMXFLWOAIPKED-LBPRGKRZSA-N 313.363 4.779 30 20 DJED C=C(Cl)CNC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 736973522 LQUOUVWKEPTEFZ-UHFFFAOYSA-N 322.742 4.506 30 20 DJED CC(C)CN(CCC#N)Cc1sc2ccccc2c1Cl 739914835 PAUCXOLEWXQGMA-UHFFFAOYSA-N 306.862 4.926 30 20 DJED CC(=NNc1ccccc1F)c1cccc(-c2ccncc2)c1 741459233 WVAJPAICLWJNFN-UHFFFAOYSA-N 305.356 4.724 30 20 DJED C=CC[C@H](NC(=O)/C=C(\CC)c1ccc(C)cc1)c1ccncc1 741693031 JCBOJAHMYZUPQB-UQCBTIDJSA-N 320.436 4.617 30 20 DJED Cc1ccc(-c2nc(/C=C3/Cc4c(F)cccc4C3=O)co2)cc1 749891473 LEHANYMQYHKUGD-ZROIWOOFSA-N 319.335 4.612 30 20 DJED CC1(C)CCC/C(=C/c2ccc(OCc3ccncc3)cc2)C1=O 757533756 JJYCLBHZWGGNAY-JXAWBTAJSA-N 321.420 4.823 30 20 DJED N#Cc1ccc(CN[C@@H]2CCc3cc(Cl)cc(Cl)c32)cc1 760325843 JWYGDBBJCYVIMG-MRXNPFEDSA-N 317.219 4.642 30 20 DJED CC(C)(C#N)CCCCOC(=O)C1(c2ccc(Cl)cc2)CC1 768368184 FYOPUBOQJXNIMK-UHFFFAOYSA-N 319.832 4.635 30 20 DJED N#Cc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1F 770568570 FUVAPSIPBBQRLO-QHHAFSJGSA-N 320.150 4.900 30 20 DJED CCCCCCCCC[C@@H](C)CC(=O)N1CCC(C#N)CC1 787272310 PIFCRAVOFIPRNJ-QGZVFWFLSA-N 306.494 4.915 30 20 DJED CC(=NNc1nccc2sccc12)c1nccc2ccccc12 811638794 AGZHFLVDOMVWBW-UHFFFAOYSA-N 318.405 4.681 30 20 DJED C(=NN(c1ccccc1)c1ccccc1)c1nc2c(s1)CCC2 814685105 BQQZSLWYJZLMIE-UHFFFAOYSA-N 319.433 4.804 30 20 DJED CCCCCCCCCN(C)C(=O)c1ncoc1C(F)(F)F 823167903 JMQKOOREMSPMNI-UHFFFAOYSA-N 320.355 4.516 30 20 DJED Fc1ccc(CON=C[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 853333323 HPJIJCPBPWLYSG-CHWSQXEVSA-N 303.299 4.697 30 20 DJED Cc1scc(C(=O)N(O)Cc2cccc3ccccc23)c1C 901369823 IFTREZSVJDLZCL-UHFFFAOYSA-N 311.406 4.550 30 20 DJED CCCCC(=O)OCCC(C#N)(c1ccccc1)c1ccccc1 914885351 ZXYNJTFXCCLEQJ-UHFFFAOYSA-N 321.420 4.620 30 20 DJED O=[N+]([O-])c1cc(C=NN(c2ccccc2)c2ccccc2)cs1 917530613 QKMPXKRQCPCLMY-UHFFFAOYSA-N 323.377 4.829 30 20 DJED C[C@@H]1CCCC[C@@H]1CC(=O)[C@H](C#N)c1ccc2ccccc2n1 920788331 GPSAGOLGRVWMLL-DJIMGWMZSA-N 306.409 4.627 30 20 DJED O=C1/C(=C/c2ccccc2C(F)(F)F)COc2c(F)cccc21 921265967 GZCBKMFHJOKQBH-DHZHZOJOSA-N 322.257 4.503 30 20 DJED C[C@H]1c2c(F)cccc2CCN1CCC1(C#N)CCCCC1 1167472504 AHOOXNUKMRWCAF-HNNXBMFYSA-N 300.421 4.609 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1NC[C@@H]1CCCC1(F)F 1186480067 WURLEHXDOVFYEA-NSHDSACASA-N 321.758 4.607 30 20 DJED CC(C)CC1(C(=O)Nc2sc3c(c2C#N)CCCC3)CCC1 1264195992 KWUSDZJBZBKCKD-UHFFFAOYSA-N 316.470 4.653 30 20 DJED N#Cc1cnc(Sc2ccc3c(c2)CCCC3)c(Cl)c1 1307147636 YZDMEMXCMWFUJD-UHFFFAOYSA-N 300.814 4.637 30 20 DJED Cc1ccc(C)c(-n2ncc(NC3CCC(C)(C#N)CC3)c2C)c1 1308640721 HCMUUBMDVXTIPX-UHFFFAOYSA-N 322.456 4.682 30 20 DJED CCOc1ccc(C#N)cc1NCc1ccc2ccccc2c1 1474172649 XZNOWCCGXVFGNY-UHFFFAOYSA-N 302.377 4.722 30 20 DJED N#Cc1cc(F)ccc1NC(=O)c1ccc(C2CCCCC2)cc1 1515018211 WSZCJIPUSHLBCJ-UHFFFAOYSA-N 322.383 4.997 30 20 DJED CC(C)(C(=O)Nc1cccc(C#N)c1)c1cccc2ccccc12 1521494643 GPQKKXSBZALXPX-UHFFFAOYSA-N 314.388 4.628 30 20 DJED CCSc1ccc(Cl)cc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 1535479690 XCAMZEHMIQSZOP-DGCLKSJQSA-N 323.845 4.691 30 20 DJED CCCCC1CCC(C(=O)Nc2scc(C)c2C#N)CC1 1544276809 IDIOKSFPOALXKB-UHFFFAOYSA-N 304.459 4.863 30 20 DJED Cc1cc(C)c(N[C@H]2CCC[C@H](C#N)C2)cc1Br 1560770000 NXYJDLZUYLJASP-STQMWFEESA-N 307.235 4.560 30 20 DJED COc1cc(CN2C[C@@H](C)CC[C@H]2c2ccccc2)ccc1C#N 1621326183 IMKINFYVTAFBEJ-JXFKEZNVSA-N 320.436 4.540 30 20 DJED N#Cc1cc(NC(=O)CCCC2CCCCC2)c(F)cc1F 1624592885 XFWVSSGAVLKAKU-UHFFFAOYSA-N 306.356 4.526 30 20 DJED CC(C)[C@H](C)N(Cc1ccc(OCC#N)cc1)c1ccccc1 1648301294 YKCCQXMPIWZFAG-KRWDZBQOSA-N 308.425 4.640 30 20 DJED Cc1ccc(C2(CNc3c(C#N)cccc3C#N)CCC2)cc1C 1655435006 XSCSHQDMOSNVRJ-UHFFFAOYSA-N 315.420 4.581 30 20 DJED CCC(CC)CN(C/C=C/c1ccc(F)c(F)c1)CCC#N 1658348489 XJVBYVPUTLMVSS-FNORWQNLSA-N 306.400 4.630 30 20 DJED CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC[C@H](C)CCC#N 1659869225 SPNTXHGRYKTOHI-CRAIPNDOSA-N 306.881 4.827 30 20 DJED CC1(C)OB(C23CC(c4ccccc4)(C2)[C@H]3C2CC2)OC1(C)C 2090608694 JDYRQWCWONSTDE-PBPGXSGUSA-N 310.246 4.591 30 20 DJED Cc1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)c(C)c1 113520126 FMUVRPRZJWXRCT-UHFFFAOYSA-N 323.396 4.630 30 20 DJED N#Cc1ccc(CN[C@@H](Cc2ccccc2)c2cccs2)cc1 116923182 QOQHDGCTDDIBGG-IBGZPJMESA-N 318.445 4.693 30 20 DJED C[C@H](Nc1ccccc1SC[C@H](C)C#N)c1ccc(C#N)cc1 118443350 DQZLZMPKJZQRID-CABCVRRESA-N 321.449 4.983 30 20 DJED CCCCCCCCC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 131977042 NEVIBFPYETZZND-OALUTQOASA-N 317.473 4.774 30 20 DJED CCSc1cccc(/C=C/C(=O)c2ccc(OCC#N)cc2)c1 184751822 LDERGPUSQPADQK-IZZDOVSWSA-N 323.417 4.597 30 20 DJED CCCCOc1cc(/C=C\C(=O)c2ccc(C)o2)ccc1OC 206383924 LIEJOJRTGKOTCF-CLFYSBASSA-N 314.381 4.672 30 20 DJED C#Cc1ccc(CNc2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1 289237128 KSDNQFOBEIXDFW-UHFFFAOYSA-N 320.436 4.573 30 20 DJED C=CCCC(=O)Nc1ccccc1OCc1cccc(Cl)c1 303822290 XWXNWFBYJURMJC-UHFFFAOYSA-N 315.800 4.824 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1C(C)(C)C1(C)C 345478147 FYZRGLJNDCZLPI-LBPRGKRZSA-N 316.470 4.702 30 20 DJED Cc1c([C@H](C)Nc2ccc(C#N)cc2[N+](=O)[O-])oc2ccccc12 391592847 LUJGEGIAFDVXIQ-LBPRGKRZSA-N 321.336 4.694 30 20 DJED CC(C)(C#N)CCCC[S@@](=O)Cc1ccc(C2CCC2)cc1 447105121 DRJPSQMFVPDZND-JOCHJYFZSA-N 317.498 4.923 30 20 DJED CC[C@H](N[C@@H](C)CCc1ccc(OC)cc1)c1ccc(C#N)cc1 447541333 LYSBUEVWWLAFFC-KKSFZXQISA-N 322.452 4.629 30 20 DJED CN(C(=O)CCCC#N)[C@H](c1ccc(Cl)cc1)C1CCCC1 464501737 NYMRPQZQBIIXCD-SFHVURJKSA-N 318.848 4.724 30 20 DJED C=CCOc1cccc(CN[C@H](C)c2ccc(SC)cc2)c1 466416481 RUURWAZHWHUSQH-OAHLLOKOSA-N 313.466 4.824 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 467819546 QSJGEDBECZLKSA-UHFFFAOYSA-N 322.408 4.926 30 20 DJED C=CCC(CC=C)C(=O)Nc1cc(-c2cccnc2)ccc1C 477532059 ZTSIIFOLBVAXPP-UHFFFAOYSA-N 306.409 4.764 30 20 DJED N#Cc1ccc(Br)c(CNc2cccc(Cl)c2)c1 492628347 HCYRTRRZZLSTTG-UHFFFAOYSA-N 321.605 4.586 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1CCCCCC1 523172554 MDYGMHHMSXQAPF-UHFFFAOYSA-N 312.457 4.513 30 20 DJED C=C(C)CN(Cc1ccccc1)[C@@H]1CCOc2ccc(OC)cc21 525638619 UMKYYPZTSCPUNY-HXUWFJFHSA-N 323.436 4.597 30 20 DJED C=C[C@H](CC(=O)Nc1cc(Cl)ccc1F)c1ccccc1 536253759 RDCUJVKTCAXVFL-GFCCVEGCSA-N 303.764 4.778 30 20 DJED C=CCn1c(C)nnc1S[C@H](C)c1ccc(C(C)C)cc1 541286457 JGEVPLNEZMUIFK-CYBMUJFWSA-N 301.459 4.749 30 20 DJED Cc1ccnc(N[C@H](c2ccccc2)c2cccc(F)c2)c1C#N 544144091 VPOJYFZBAKZLFM-LJQANCHMSA-N 317.367 4.602 30 20 DJED Cc1oc2ccc(NC(=O)c3cc(C#N)ccc3Cl)cc2c1C 552168334 AEGJYCJLYQEAHF-UHFFFAOYSA-N 324.767 4.827 30 20 DJED CCCCCN(C(=O)c1ccc(F)c(C#N)c1)[C@H](C)CCC 556396510 ZFOCOEXQVBWHBX-CQSZACIVSA-N 304.409 4.518 30 20 DJED N#Cc1cccc(CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)c1F 558732547 OETSNLPWALIUBI-ACDBMABISA-N 320.411 4.608 30 20 DJED N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCc3sc(Cl)cc31)CC2 564428280 REXUZDGQSAUVIC-HUUCEWRRSA-N 314.841 4.538 30 20 DJED Cc1cccnc1[C@H](N[C@H]1CCCc2cc(C#N)ccc21)C(C)C 611392868 RGAXDGYEHQEJDD-VQTJNVASSA-N 319.452 4.626 30 20 DJED CC(C)Oc1ccc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1 618807728 WEDYLAAWPHPEIK-BTYIYWSLSA-N 320.436 4.684 30 20 DJED C=CCc1ccccc1OCC(=O)Nc1ccccc1C(C)(C)C 668532123 VFPLTZOWSSUIMF-UHFFFAOYSA-N 323.436 4.730 30 20 DJED CC(C)(C)[C@@H]1CCCN(c2ccc(C#N)c(Br)c2)C1 708501235 CRRFPJQHHBLELX-CYBMUJFWSA-N 321.262 4.583 30 20 DJED C=CCCCCCCN[C@@H](C)c1ccc(Br)cn1 710113263 PGNINGQNBKGFAQ-ZDUSSCGKSA-N 311.267 4.631 30 20 DJED C#Cc1cccc(NC(=S)N(CC)[C@H](CC)c2ccccc2)c1 726484834 SLFAJHPCHVHZRC-LJQANCHMSA-N 322.477 4.838 30 20 DJED CCc1c(C(=O)/C=C/c2cccnc2C)oc2ccc(C)cc12 728786480 ZPUMXQZIEVOUNX-CMDGGOBGSA-N 305.377 4.903 30 20 DJED CCCCCC[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 742057158 PKMCCLFMIXDRAJ-QGZVFWFLSA-N 300.446 4.848 30 20 DJED Cc1cc(/C=C/C(=O)c2ccsc2)c(OC(F)F)cc1C 742434855 OWIUPXPZSSYSSB-ONEGZZNKSA-N 308.349 4.862 30 20 DJED O=C(/C=C/c1csc2ccccc12)c1ccc2c(c1)COC2 742435839 AUXSYDJPDZDKQQ-BQYQJAHWSA-N 306.386 4.828 30 20 DJED Oc1ccc(Cl)cc1C=Nc1cccc(CC(F)(F)F)c1 743044935 UVUFKIDDCVGKBU-UHFFFAOYSA-N 313.706 4.901 30 20 DJED CC(=NNc1ccc(Cl)c(F)c1)c1c(C)nn(C(C)C)c1C 747636232 WJSFRKYYYQAJFN-UHFFFAOYSA-N 322.815 4.709 30 20 DJED O=C1/C(=C\c2ccc(Cl)nc2)Cc2c1ccc(Cl)c2Cl 748997354 JTVDEAIXJHHZEQ-UITAMQMPSA-N 324.594 4.864 30 20 DJED COc1cc(C)c(/C=C/C(=O)c2cc3ccccc3o2)cc1OC 751512728 KFPYYHSUVUDNSJ-CMDGGOBGSA-N 322.360 4.655 30 20 DJED Cc1cc(/C=C\C(=O)c2ccc(-c3ccncc3)cc2)ccc1C#N 766491751 QFHDBNCBRPVFKT-OQFOIZHKSA-N 324.383 4.825 30 20 DJED Cc1ncsc1/C=C1\CCOc2c(cccc2C(C)C)C1=O 768490059 MEPZBMYFCFQRLE-UKTHLTGXSA-N 313.422 4.624 30 20 DJED C#CCCCCCC(=O)Oc1cccc(-c2nc(C)cs2)c1 779902958 IKSKGIRXOSSDHG-UHFFFAOYSA-N 313.422 4.608 30 20 DJED CC(=NNc1cc([N+](=O)[O-])ccc1C)C1CCC(F)(F)CC1 788712457 GJURXPWOKIFFSX-UHFFFAOYSA-N 311.332 4.517 30 20 DJED CCCNc1ccc(C#N)cc1NCc1cccc(C(F)F)c1 795267213 GKNWBDULRKBBFX-UHFFFAOYSA-N 315.367 4.930 30 20 DJED N#Cc1c(Cl)nsc1N[C@H]1CC[C@@H](c2cccc(F)c2)C1 795273917 JNXKOWBVDCOUNL-PWSUYJOCSA-N 321.808 4.555 30 20 DJED CCCC1(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)CCC1 797568187 OVHQTHUKJGLKPP-GFCCVEGCSA-N 304.459 4.587 30 20 DJED CC(C)(C)c1cnc(/C=C\C(=O)c2nccc3ccccc23)s1 811697661 DQHIOAQXPDNANR-HJWRWDBZSA-N 322.433 4.885 30 20 DJED N#C[C@@H](C(=O)/C(F)=C\C1CCCCC1)c1ccc2ccccc2n1 815900233 VNULGQGIYJSSPQ-QRYYFKOISA-N 322.383 4.845 30 20 DJED C=CCC[C@@H](Nc1ccc2c(c1)N(C(=O)CC)CC2)c1ccco1 903279973 RDFSJODZBCEWGB-QGZVFWFLSA-N 324.424 4.698 30 20 DJED O=C(/C=C/c1cc(Cl)ccc1OC(F)F)c1ccc(O)cc1 915981527 RLAYGVKPGPFJKJ-XVNBXDOJSA-N 324.710 4.543 30 20 DJED CC[C@@H](C(=O)N(CCC#N)CCC(C)C)C1CCC(C)CC1 1136680891 XVCLYQUZLNQRPD-DAWZGUTISA-N 306.494 4.627 30 20 DJED Cc1nsc(Nc2ccc(COc3ccccc3)cc2)c1C#N 1162943038 JZYFOKNLQZXYCN-UHFFFAOYSA-N 321.405 4.646 30 20 DJED Cc1ccc([C@H]2[C@H](C)CCCN2Cc2ccc(C#N)s2)cc1 1167478832 ZBRKKOGCULULOZ-DNVCBOLYSA-N 310.466 4.901 30 20 DJED C[C@@H](Nc1ccc(C#N)cn1)c1ccc(-c2ccc(F)cc2)cc1 1185838843 OUUCYKIUFZTCBZ-CQSZACIVSA-N 317.367 4.932 30 20 DJED N#Cc1cc(Cl)ccc1COc1ccc(Br)cc1 1188184888 NYCPZSDRZCBPDB-UHFFFAOYSA-N 322.589 4.553 30 20 DJED C[C@@H]1CC[C@H](c2ccccc2)N(CCc2ccc(C#N)cc2)C1 1194222031 PCGQAYIHCFOBAN-DYESRHJHSA-N 304.437 4.574 30 20 DJED COc1ccc(C#N)cc1CN1CCC[C@H]1CCC1CCCC1 1307583788 VXVLNXJHJQZABI-IBGZPJMESA-N 312.457 4.502 30 20 DJED Cc1cc(CNc2cccc(CC#N)n2)ccc1-c1ccccc1 1325860247 YIVJUEAOUQHIFU-UHFFFAOYSA-N 313.404 4.735 30 20 DJED O=C(O)c1ccc(-c2ccc(/C=C\C(=O)c3cccs3)o2)cc1 1326776662 NIPSNFIIGMXPRV-CLFYSBASSA-N 324.357 4.602 30 20 DJED CC(C)(C)c1cc(NC(=O)CC(C2CC2)C2CC2)c(C#N)s1 1337189266 AVMFVLMYODGCIJ-UHFFFAOYSA-N 316.470 4.682 30 20 DJED CC[C@@H](C#N)[C@@H](OC(=O)c1ccc(SC)o1)c1cccs1 1345148373 VWTNLRIDLHOJNT-IINYFYTJSA-N 321.423 4.511 30 20 DJED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1OC(C)C 1351539703 DYHBFDNWZCIAQA-CVEARBPZSA-N 314.429 4.500 30 20 DJED CCc1c(C)sc(NC(=O)C[C@H](C)CC(C)(C)C)c1C#N 1352443221 RRGMUOJLETWCKU-NSHDSACASA-N 306.475 4.892 30 20 DJED CC1CCC(C)(CNc2c(Br)cccc2C#N)CC1 1458357312 UXGPVOTTYJWPNO-UHFFFAOYSA-N 321.262 4.949 30 20 DJED Cc1ccc2c(c1)N(Cc1ccccc1C(C)(C)C#N)C[C@H](C)O2 1459628784 PMKMUPPKTVZGMD-INIZCTEOSA-N 320.436 4.584 30 20 DJED C/C(=C\c1ccccc1)CN[C@@H]1CCCc2cc(C#N)ccc21 1474185646 VVUSITLVCWUGRO-CZIOWHBQSA-N 302.421 4.629 30 20 DJED C[C@@H](OC(=O)c1cccc(-c2ccoc2)c1)c1cccc(C#N)c1 1525572082 OJUPYLBDJQJHLT-CQSZACIVSA-N 317.344 4.736 30 20 DJED CCc1ccccc1[C@@H]1C[C@H]1C(=O)O[C@H](C)c1cccc(C#N)c1 1533365715 VXPHZBICCRMZMQ-VOBQZIQPSA-N 319.404 4.529 30 20 DJED CCc1ccc([C@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)cc1 1559814953 UCTVQLBYBXTEIG-IBGZPJMESA-N 322.427 4.639 30 20 DJED CCc1ccccc1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1587914848 WNORZSFJLYLBCO-UHFFFAOYSA-N 322.408 4.550 30 20 DJED CC[C@H](C#N)N(CC)C(=O)c1sc2cc(C)ccc2c1Cl 1611394335 PPZQNARZJJJIEB-LLVKDONJSA-N 320.845 4.627 30 20 DJED Cc1ccc(C#N)c(SCc2c(Cl)cccc2Cl)n1 1639371036 NWBSDCHSAFALIX-UHFFFAOYSA-N 309.221 4.861 30 20 DJED Cc1ccccc1[C@@H](Nc1ccc(C#N)nn1)C1CCC(C)CC1 1640111779 CLBQFHBFPLSSHF-SGHGTVFPSA-N 320.440 4.636 30 20 DJED C[C@@H](Sc1nc2ncc(Cl)cc2o1)c1ccc(C#N)cc1 1644259627 NTLMIUOPARVCPP-SECBINFHSA-N 315.785 4.601 30 20 DJED Cc1cc(NCC(C)(C)C(C)C)n2c(nc3ccccc32)c1C#N 1651758658 NEJDLLMOBWMXPK-UHFFFAOYSA-N 320.440 4.762 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)CC1CCC(C(F)(F)F)CC1 1654808549 BEUPGRACAWAJTJ-TUBUQKNSSA-N 324.390 4.920 30 20 DJED N#Cc1cccc(CN[C@H]2CCCC[C@H](c3ccccc3)C2)c1 1656027611 XVZZNRBHQNHGQW-SFTDATJTSA-N 304.437 4.764 30 20 DJED CCCCN(C(=O)Nc1sccc1C#N)[C@@H]1CCC[C@H](C)C1 1663159893 SMUZGXIZOBOWEI-DZGCQCFKSA-N 319.474 4.832 30 20 DJED CCC[C@H]1CCCC[C@@H]1CNC(=O)Nc1scc(C)c1C#N 1671133822 GNRIMQIIFUJBKR-UONOGXRCSA-N 319.474 4.656 30 20 DJED CC[C@@H](C)c1ccc(C=NNc2cccc(C(=O)O)c2C)cc1 1776089630 AMNBKTVRGCFTCM-CYBMUJFWSA-N 310.397 4.653 30 20 DJED CC(C)[C@@H]1/C(=C/c2ccc(C(=O)O)c(F)c2)C(=O)c2ccccc21 1776308849 QSMVYMRVKWVIGB-VUZIPCMWSA-N 324.351 4.543 30 20 DJED Cc1ccc(-c2nnc(SCc3cccc(C#N)c3)o2)cc1C 5778885 KDXQQVAHFUHKQV-UHFFFAOYSA-N 321.405 4.517 30 20 DJED CC(C)(C)c1nc(CN[C@H](CCC#N)c2ccccc2)cs1 130487591 UTELQFZADAYION-MRXNPFEDSA-N 313.470 4.575 30 20 DJED C[C@H](NCc1ccc(F)cc1C#N)c1cccc2ccccc12 181668085 JCHPUJHPYVZBOW-AWEZNQCLSA-N 304.368 4.701 30 20 DJED CC(C)c1noc([C@H](C)S[C@@H](C)c2cccc(C#N)c2)n1 190787693 NHCRZEMFRUIZSZ-RYUDHWBXSA-N 301.415 4.620 30 20 DJED C[C@@H](NCc1ccc(C#N)c(F)c1)c1cc2ccccc2s1 192182011 WCTASQUQVOIAHX-GFCCVEGCSA-N 310.397 4.763 30 20 DJED C=CCCCCCSc1nnc(-c2sc(C)nc2C)o1 195437078 FBJCWHLOBTYROF-UHFFFAOYSA-N 309.460 4.648 30 20 DJED CC(C)(C)c1nc2cc(NCc3ccc(C#N)cc3)ccc2o1 236732212 ITECRLSWARKKJH-UHFFFAOYSA-N 305.381 4.609 30 20 DJED C=CC[C@@H](CC)NC(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C 281339167 LTZZGUSEOSLRTO-ZIAGYGMSSA-N 323.506 4.632 30 20 DJED CCC(CC)[C@H]1C[C@@H](Nc2c(C#N)cnc3ccccc23)CCO1 302060783 RBMTVSRLCLJVGV-QFBILLFUSA-N 323.440 4.502 30 20 DJED CC[C@H](C)n1ncc(N=C(O)N2CCCC23CCCCC3)c1C 330128967 NZMHQZICWDEERY-AWEZNQCLSA-N 318.465 4.507 30 20 DJED N#CCC[C@@H](NCc1cc(F)cc(Cl)c1)c1ccccc1 362529938 UHDQPCLHDCXCJM-QGZVFWFLSA-N 302.780 4.614 30 20 DJED C[C@H](Nc1cccc2ccsc12)c1ccc(OCC#N)cc1 386315713 MPVHPIYCUQJYNM-ZDUSSCGKSA-N 308.406 4.977 30 20 DJED C=CC[C@@H](CC)NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 410124480 WTMGRKNOOOGVBV-IUODEOHRSA-N 313.363 4.670 30 20 DJED C=C(C)C(C)(C)C(=O)Nc1cccc(Cl)c1Br 425564856 VKMDIQBEIRYFOP-UHFFFAOYSA-N 316.626 4.643 30 20 DJED C=C[C@@H](CC(=O)N(C)c1ccc(OC(C)C)cc1)c1ccccc1 429580242 UEEXMKIPLZZKSO-KRWDZBQOSA-N 323.436 4.797 30 20 DJED C[C@H](SCc1ncc(C(C)(C)C)o1)c1cccc(C#N)c1 443153284 GIROJADBMDXANN-LBPRGKRZSA-N 300.427 4.838 30 20 DJED CC(C)(C#N)CCCCN[C@@H](c1ccc(F)cc1)C1CCC1 444661519 HULOTBVGTWBFFQ-GOSISDBHSA-N 302.437 4.977 30 20 DJED CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccccc1S[C@H](C)CC#N 448944820 TZCKZCCQRQZKAO-RBSFLKMASA-N 316.470 4.702 30 20 DJED C[C@@H](C(=O)Nc1ccccc1C(C)(C)C)c1cccc(C#N)c1 463069967 YJHXWIBVEZMFOL-CQSZACIVSA-N 306.409 4.598 30 20 DJED C=CCC(CC=C)C(=O)N(CC(F)F)c1cccc(Cl)c1 468761945 ATHJGAVZXHPOFG-UHFFFAOYSA-N 313.775 4.707 30 20 DJED Cc1nc(COc2ccc(C#N)cc2)oc1-c1ccc(Cl)cc1 468938754 KOJNIHWVCWGQAV-UHFFFAOYSA-N 324.767 4.754 30 20 DJED C=CCC[C@H](CCC)N[C@@H](C)c1ccc(Br)cn1 475512292 YKVWWMRPBBEODR-JSGCOSHPSA-N 311.267 4.630 30 20 DJED CCCC(C#N)(CCC)NC(=O)c1ccc(SC(C)C)cc1 475735472 SXHJWWCVGVUUNC-UHFFFAOYSA-N 318.486 4.779 30 20 DJED CC[C@H](NCc1ccc(Cl)cc1C#N)c1ccc(F)cc1F 480874082 PYYPDKUZAMXNBR-KRWDZBQOSA-N 320.770 4.731 30 20 DJED CCN(CCCCC#N)[C@@H](C)Cc1ccccc1C(F)(F)F 483388979 APUJEQVNBLTVQV-AWEZNQCLSA-N 312.379 4.652 30 20 DJED C=C(C)C[C@H](C)C(=O)Nc1cc2sc(C)nc2cc1Cl 484685075 ZIWRRJBVSALHBT-VIFPVBQESA-N 308.834 4.799 30 20 DJED Cc1ccnc(Oc2cc(Nc3ncccc3C#N)ccc2C)c1 485144910 IOSZHGRMJXGTAK-UHFFFAOYSA-N 316.364 4.501 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N(C)c1ccc(C#N)cc1 489902759 WOCOZJKEKUDHBO-RDJZCZTQSA-N 318.420 4.511 30 20 DJED C=CCCC[C@H](C)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 494492940 IWMZPQMYKGIDJD-ZLIFDBKOSA-N 311.828 4.644 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCC1CCCC1 500304583 QRDQIUFSTIDHAV-UHFFFAOYSA-N 312.457 4.513 30 20 DJED C=C(CNC(=O)N[C@H](C)c1cc2ccccc2o1)c1ccccc1 502358404 DJMXPLRKIPEAPQ-OAHLLOKOSA-N 320.392 4.506 30 20 DJED C=CCN(Cc1cccs1)Cc1cc(C)nc2ccccc12 510247429 XNFPMPFTVBPXDQ-UHFFFAOYSA-N 308.450 4.793 30 20 DJED N#Cc1ccc(F)c(CSCc2coc(-c3ccccc3)n2)c1 521559390 ZLBUTCWVVRKODA-UHFFFAOYSA-N 324.380 4.786 30 20 DJED CC(C)(C#N)CCN[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 526087090 GYZXIZMJKUCXIW-ZBFHGGJFSA-N 324.390 4.871 30 20 DJED CSCc1cccc(NC(=O)C[C@H](CC#N)c2ccccc2)c1 527245548 LWOZUDYVBMDQPR-KRWDZBQOSA-N 324.449 4.576 30 20 DJED C=C(C)[C@@H](CC(=O)Nc1ccccc1Cc1ccccc1)OCC 534415038 AEWRTOOHHGPZOP-HXUWFJFHSA-N 323.436 4.587 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@H]1C[C@@H]1c1ccccc1 538726890 CWUYSFBVLYNCGP-YSFYHYPLSA-N 316.448 4.562 30 20 DJED C=CC[C@@H](C)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 540171063 MOYBXOXSDRMMFQ-IUODEOHRSA-N 316.445 4.881 30 20 DJED COc1ccc2cc([C@@H](C)NCc3ccc(C#N)s3)ccc2c1 557757109 YRNURGAJLOXFOP-CYBMUJFWSA-N 322.433 4.632 30 20 DJED CC[C@@H](CC#N)NCc1ccc(Oc2ccccc2F)c(F)c1 569400509 KSMRKBJMUDHOKM-AWEZNQCLSA-N 316.351 4.539 30 20 DJED C=CCC(F)(F)c1nc(C(C)(C)c2ccc(Cl)cc2)no1 571866711 LYAYGCJGBLCEQE-UHFFFAOYSA-N 312.747 4.717 30 20 DJED N#CCCCCCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 588371138 IAOSHELHRUMWFO-LJQANCHMSA-N 316.420 4.647 30 20 DJED CC(C)[C@H](NC(=O)CCCCCC#N)c1ccc(Cl)cc1F 588675332 IZCCJSFDANXDQJ-KRWDZBQOSA-N 324.827 4.766 30 20 DJED CC(C)Oc1c(Cl)cccc1NC(=O)CCCCCC#N 588929777 FHDZFPVWOFMNIV-UHFFFAOYSA-N 308.809 4.540 30 20 DJED Cc1ccccc1-c1ccccc1CN1CCC[C@@H](CC#N)C1 597178205 WHJSCYOQMKPDGL-SFHVURJKSA-N 304.437 4.788 30 20 DJED C[C@H](CC#N)N[C@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1 602867923 FPVWZQJBEQQZMF-NXEZZACHSA-N 324.211 4.601 30 20 DJED C[C@H]1CCc2c(sc(NC(=O)CCC(C)(C)C)c2C#N)C1 609965983 ZEUACXVYQJVMAC-NSHDSACASA-N 304.459 4.509 30 20 DJED N#Cc1nc(Oc2ccc(-c3cscn3)cc2)ccc1Cl 610516003 VDUHHLPCZGEEOI-UHFFFAOYSA-N 313.769 4.522 30 20 DJED C[C@@H](CC(F)(F)F)N[C@H](C)c1ccc(F)cc1C(F)(F)F 623961889 RAKOAOLKJIEIQN-JGVFFNPUSA-N 317.248 4.836 30 20 DJED C=CCN(CC=C)C(=O)c1sc2cccc(C)c2c1Cl 634302740 RJOVKXVXVGSNSI-UHFFFAOYSA-N 305.830 4.677 30 20 DJED C#Cc1cccc(N(C(=O)c2cc3cc(C)ccc3o2)C(C)C)c1 728245586 DNRFWQRCYZHYQU-UHFFFAOYSA-N 317.388 4.778 30 20 DJED CCCOc1cc(/C=C2/Cc3c(C)cccc3C2=O)ccc1OC 729149009 CBMZNGYLCPVEBF-WJDWOHSUSA-N 322.404 4.615 30 20 DJED CCOc1ccc(/C=C2\Cc3ccc(C)cc3C2=O)cc1OCC 730948556 HNQVWFSNWINELD-GZTJUZNOSA-N 322.404 4.615 30 20 DJED CC(C)(C)c1ncc(/C=C\C(=O)c2ccc(Cl)cc2)s1 736430782 HSVQHEXNCQMTJN-HJWRWDBZSA-N 305.830 4.990 30 20 DJED O=C(/C=C\c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)COC2 742436097 GBTYFDDEGSSONY-KXFIGUGUSA-N 319.187 4.920 30 20 DJED Cc1ccsc1C(=O)/C=C/c1ccc(Oc2cnccn2)cc1 743056530 XKVJKNSVKTXTJN-QPJJXVBHSA-N 322.389 4.535 30 20 DJED CC(C)c1ccc(NC(=S)N[C@@H](C)c2cccc(C#N)c2)cc1 743059679 NOXDMUKNGRFYRA-AWEZNQCLSA-N 323.465 4.729 30 20 DJED C=CC[C@H]1N(C(=O)CCCCCCC(C)=O)CCCC1(C)C 768098578 QHPNEEQWNIVGNC-QGZVFWFLSA-N 307.478 4.509 30 20 DJED CC[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1OC 776727298 VHSNEKAZXNBNFZ-SCLBCKFNSA-N 312.388 4.508 30 20 DJED Cc1cccc(/C=C/C(=O)c2ccnc(Cl)c2)c1OC(F)F 782193060 CTRRMIVAGLPLFF-AATRIKPKSA-N 323.726 4.541 30 20 DJED CCCCCC[C@H](C)CC(=O)[C@@H](C#N)c1cnc2ccccc2n1 792107474 GMWHEIAISPAWHC-HOTGVXAUSA-N 323.440 4.803 30 20 DJED COc1ccc2nc(/C=C3\C(=O)c4ccccc4[C@@H]3C)sc2c1 809155934 HZMCEHCOWJOWQI-SAIXKJTDSA-N 321.401 4.688 30 20 DJED C[C@H]1/C(=C/c2ccc(Cl)nc2Cl)C(=O)c2ccccc21 809158756 DDPOPRVHHVEGKJ-PGEKAQRJSA-N 304.176 4.772 30 20 DJED CC(C)C(=O)Nc1ccc(OCCCCC2(C#N)CCC2)cc1 902719807 VGVNOLZVVBDXBK-UHFFFAOYSA-N 314.429 4.524 30 20 DJED CC(=NNc1ccc(C(F)(F)F)cn1)c1cc(C)c(C)cc1C 915917842 QQPOZISMWASWEL-UHFFFAOYSA-N 321.346 4.862 30 20 DJED CCOc1ccc(/C=C\C(=O)c2ccccc2OC(F)F)cc1 916140250 HRJOOGLJVZBTIJ-XFXZXTDPSA-N 318.319 4.583 30 20 DJED CC(=NNc1ncc(C(F)(F)F)cc1Cl)c1cccs1 916286470 HGCQKWWHQFADFF-UHFFFAOYSA-N 319.739 4.651 30 20 DJED C[C@H](CC(C)(C)C#N)Nc1cccc(C2SCCS2)c1 925920285 RPYIOYSSQTYAFT-GFCCVEGCSA-N 306.500 4.905 30 20 DJED C[C@@H]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)[C@@H]1C 1167631669 WSEOGNXSEXMEQP-RTBURBONSA-N 318.464 4.617 30 20 DJED CCOc1ccc(C#N)cc1N[C@@H]1CC[C@@H](c2ccccc2)C1 1205348167 YKAVVGYWDHUUQY-QZTJIDSGSA-N 306.409 4.705 30 20 DJED C[C@H](CN1CCC(c2ccc(C#N)cc2)CC1)c1ccccc1 1207912609 WTBGOTAVVNNBCC-QGZVFWFLSA-N 304.437 4.541 30 20 DJED N#C[C@H](Cc1ccccc1)Sc1ncc(-c2ccccc2)o1 1320351005 FUEFALRBFJEAHM-INIZCTEOSA-N 306.390 4.569 30 20 DJED N#C[C@H](C(=O)C1C[C@H]2CCC[C@H](C1)C2)c1ccc2ccccc2n1 1343758134 CTBWTLGHQZOLOK-MPGHIAIKSA-N 318.420 4.627 30 20 DJED N#Cc1cccc(-c2nnc(-c3cc4cccc(Cl)c4o3)o2)c1 1345951922 NGIQQTLEXBSAOW-UHFFFAOYSA-N 321.723 4.675 30 20 DJED C=CCC[C@@H]1CCCN1C(=O)Nc1c(C)cc(OC)c(C)c1C 1350109074 IFYMSHBUVWRVEP-MRXNPFEDSA-N 316.445 4.583 30 20 DJED CCN(C(=O)[C@H](C)c1ccccc1C)[C@@H](C)c1ccc(C#N)cc1 1354501894 GAEYACIGQVWOAY-SJORKVTESA-N 320.436 4.580 30 20 DJED CC[C@H]1[C@@H](C)CCN1Cc1ccc(-c2ccccc2C#N)cc1 1459993755 HBDDNLYEXHRWOF-KKSFZXQISA-N 304.437 4.846 30 20 DJED CC[C@@H](OC(=O)c1cccc(C#N)c1C)c1ccc(C)c(F)c1 1527662602 SBTIIMRWYRMLLW-GOSISDBHSA-N 311.356 4.622 30 20 DJED CCOc1cc(C#N)ccc1OCc1ccc(C(C)C)nc1CC 1559320193 ORRFLOFUZNUHRH-UHFFFAOYSA-N 324.424 4.617 30 20 DJED CC(C)(C)C[C@H]1CCN(C(=O)CC2(C#N)CCCCC2)C1(C)C 1597146964 DUQQYPABVQBNTR-MRXNPFEDSA-N 318.505 4.914 30 20 DJED N#Cc1cc(Cl)ccc1SCc1ccc2c(c1)COC2 1613587317 UQAHJIOTGWKIES-UHFFFAOYSA-N 301.798 4.534 30 20 DJED COc1ccc(CNc2cccc(CC#N)c2)cc1C(C)(C)C 1620939531 MCPQXIOCCQHIQY-UHFFFAOYSA-N 308.425 4.671 30 20 DJED C[C@@H](CC(C)(C)C#N)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 1621200623 ONFPSQSIMNCKRN-KBXCAEBGSA-N 300.421 4.680 30 20 DJED Cc1cc(Sc2ccc(C#N)c(C)c2)nc(-c2cccs2)n1 1640060927 SDMRBNILEGDUIZ-UHFFFAOYSA-N 323.446 4.845 30 20 DJED CC[C@H](Cc1ccc(Cl)cc1)NCc1ccc(C#N)c(C)c1 1657190059 SVWVTXFSLFHKTD-LJQANCHMSA-N 312.844 4.631 30 20 DJED Cc1cc(C)c(/C=C\CNc2ccc(F)cc2OCC#N)c(C)c1 1664225580 BDWXMZLCKZMMLZ-PLNGDYQASA-N 324.399 4.779 30 20 DJED CC(C)(C)C1CCC(C=NNc2ccccc2C(=O)O)CC1 1776030426 YPRYEZZHKWKPNT-UHFFFAOYSA-N 302.418 4.635 30 20 DJED O=C(O)c1cccc(NN=C2CCCC[C@H](c3ccccc3)C2)c1 1776037060 PSYOBEKWCLYNGW-INIZCTEOSA-N 322.408 4.901 30 20 DJED C=CC[C@@]1(C(=O)O)CCCN([C@H](C)c2ccc(C(C)C)cc2)C1 1776154056 SKTOLMOOKHGOCL-OXQOHEQNSA-N 315.457 4.614 30 20 DJED CCCCCCC[C@@H](C)CNc1c(C(=O)O)cccc1[N+](=O)[O-] 1776782311 FSRCAXOHVAXVCF-CYBMUJFWSA-N 322.405 4.702 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccc(Cl)s2)cc1[N+](=O)[O-] 14176720 OPPHCQAJWJSOEF-GQCTYLIASA-N 307.758 4.514 30 20 DJED N#Cc1cccc(CN(Cc2ccccc2)Cc2ccccc2)c1 31945962 QNHRSUVMBZCGFE-UHFFFAOYSA-N 312.416 4.761 30 20 DJED N#Cc1cccc(C(=O)/C=C/c2cccc(-c3ccccn3)c2)c1 158793274 NONDRDAQSPKVPM-ZHACJKMWSA-N 310.356 4.516 30 20 DJED C[C@@H](C#N)Oc1ccccc1N[C@H](C)CCc1ccccc1F 162270660 OMOXRGSHXJIUCO-CABCVRRESA-N 312.388 4.550 30 20 DJED CCN(C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1 174073588 AUCBKESWAURZOR-UHFFFAOYSA-N 319.191 4.532 30 20 DJED Cc1ccc(F)cc1CNc1ccccc1SC[C@H](C)C#N 187282465 AXCQMKYAUKFRDP-CYBMUJFWSA-N 314.429 4.998 30 20 DJED CC(C)[C@@H]1C[C@@H](NCc2ccc(OCC#N)cc2)c2ccccc21 278755670 OCLZURYOMHWDCH-LEWJYISDSA-N 320.436 4.563 30 20 DJED C[C@H](NC(=O)[C@]1(C#N)CC12CCCC2)c1cc2ccccc2s1 294605342 MMQISZGUFHBNQX-ORAYPTAESA-N 324.449 4.553 30 20 DJED CC[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1cccc(Cl)c1 315913672 SHURWOPOFICSDZ-HNNXBMFYSA-N 315.760 4.683 30 20 DJED N#Cc1ccc(N2CC[C@@H](c3ccccc3)C2)cc1C(F)(F)F 321439667 MLCKQRIDYSZJPJ-OAHLLOKOSA-N 316.326 4.571 30 20 DJED Cc1noc(C(C)C)c1/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 329063185 ZTEFGPYJKNLUOT-RRFJBIMHSA-N 304.434 4.770 30 20 DJED CC[C@H](/N=C(/O)c1scc(C)c1Cl)c1c(C)noc1C 331092039 XCMIHHHFXFJOOC-JTQLQIEISA-N 312.822 4.771 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCCc3ccccc32)cc1 332373506 RFKXPBLZWRTQMZ-IBGZPJMESA-N 318.420 4.546 30 20 DJED N#CCCSCc1csc(Cc2ccc(Cl)cc2)n1 413011317 IVACZIYAYFAGNC-UHFFFAOYSA-N 308.859 4.534 30 20 DJED Cc1cccc(Cl)c1C[S@](=O)CCC1(C#N)CCCCC1 417199896 WBOAQUVDKVQGJS-OAQYLSRUSA-N 323.889 4.761 30 20 DJED C=CCC(C)(C)c1nc(-c2cccc(-c3cscn3)c2)no1 426410368 JABFBZVKRRCYEL-UHFFFAOYSA-N 311.410 4.714 30 20 DJED C=CCC[C@H](C(=O)Nc1cccc(Cl)c1O)c1ccccc1 427634525 UKTAUZUBKRNVBN-AWEZNQCLSA-N 315.800 4.734 30 20 DJED Cc1cccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c1C 430586653 WSOSHNZHYRTAEE-CQSZACIVSA-N 312.438 4.548 30 20 DJED N#CCSCCCN1CCCCC[C@@H]1/C=C/c1ccccc1 441174071 CODAGMLMVPOCSZ-TZZQJPOUSA-N 314.498 4.591 30 20 DJED CC(C)(C)OCCCCNc1ccc(C#N)c(C(F)(F)F)c1 473660350 MGWJNBOTGBVDKS-UHFFFAOYSA-N 314.351 4.584 30 20 DJED C=CCSc1ccccc1C(=O)Nc1cccc(C)c1F 485470244 VPYWQUMZBLBVNT-UHFFFAOYSA-N 301.386 4.665 30 20 DJED N#Cc1ccccc1Oc1ccc(NCCCCF)cc1F 506307575 HHJCBMCSGCJJPU-UHFFFAOYSA-N 302.324 4.651 30 20 DJED CCN(Cc1cccc2cc[nH]c12)[C@H](C)c1ccc(C#N)cc1 508602837 GEPRIORSZYWION-OAHLLOKOSA-N 303.409 4.623 30 20 DJED C=CCC[C@@H](N[C@H]1CCc2c(OC)cccc21)c1ccccc1 537950189 MAQMSDFKNSDCKL-UXHICEINSA-N 307.437 4.980 30 20 DJED CC(C)(C#N)CCN1Cc2ccccc2C[C@@H]1c1ccccc1 538469124 FARQVXIWKWKJTL-HXUWFJFHSA-N 304.437 4.726 30 20 DJED C=CCCC[C@@H](C)NC(=O)Nc1ccc(F)cc1C(F)(F)F 540559233 SXIPROYJLOJOFC-SNVBAGLBSA-N 318.314 4.711 30 20 DJED CC(C)(C)[C@@H](NCc1ccc(CC#N)cc1)c1ccc(F)cc1 544071080 MNRKRCQDBMSCRN-IBGZPJMESA-N 310.416 4.769 30 20 DJED C=CCCC1(C(=O)N2[C@H]3CC[C@H]2CC(Cc2ccccc2)C3)CC1 553368539 IOVUHNWLVGQKFK-PMACEKPBSA-N 323.480 4.745 30 20 DJED C[C@H](NC1(c2ccc(Cl)cc2)CC1)c1ccc(C#N)c(F)c1 554209939 UIAWVBAEBPATMS-LBPRGKRZSA-N 314.791 4.691 30 20 DJED Cc1ccc(OC(F)F)c([C@@H](C)NCC(C)(C)CCC#N)c1 570472291 KNOSGEKYXDBTRP-CYBMUJFWSA-N 310.388 4.577 30 20 DJED Cc1ccccc1[C@@H](N[C@H]1CCc2ccc(C#N)cc21)C(C)C 584142880 XNNLOTNXTMMIIQ-SFTDATJTSA-N 304.437 4.841 30 20 DJED CCC(C)(C)CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 610411826 SZLDSHYBDCQMSE-NSHDSACASA-N 304.459 4.509 30 20 DJED N#Cc1ccccc1CNc1ccc(COc2ccccc2)cc1 611337770 PTGJAPJOROEDEF-UHFFFAOYSA-N 314.388 4.749 30 20 DJED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)C1 666553547 ORDVGMCGDPEJCN-OAHLLOKOSA-N 309.413 4.502 30 20 DJED CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(OCC#N)c2)cc1 727744050 BOMLVQJXFMUOJM-KPKJPENVSA-N 319.404 4.783 30 20 DJED COc1ccc2oc(C(C)=NN[C@H](C)c3ccccc3)c(C)c2c1 729142406 RVXXOOVMULLIRN-CQSZACIVSA-N 322.408 4.825 30 20 DJED C=CCCOC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1 731412766 NZCRDWWTTWRMKV-UHFFFAOYSA-N 319.360 4.742 30 20 DJED C[C@@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)C(C)(C)C 734706363 FDLWXWALNSUVLU-ONGXEEELSA-N 320.845 4.808 30 20 DJED CCCCCC[C@H](CC)C(=O)N[C@H](C)c1cccc(C#N)c1 743776905 KEBOTMWJLTUEPG-WBVHZDCISA-N 300.446 4.732 30 20 DJED CC(C)[C@@H]1/C(=C/c2ccc3c(c2)ncn3C)C(=O)c2ccccc21 766506705 QGFGISXLFCQVLE-PSXSOWLISA-N 316.404 4.593 30 20 DJED CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(Cl)cc2C)c1 767340975 LQDLGUOLCYRNSX-VQHVLOKHSA-N 313.784 4.503 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)c(F)c1 772806159 KKZGMQXBJQZJKR-VMPITWQZSA-N 319.257 4.612 30 20 DJED CCCC(=NOC1CCOCC1)c1ccc(Cl)c(Cl)c1 774433700 OUBLJTUBPLATPE-UHFFFAOYSA-N 316.228 4.693 30 20 DJED Cc1cc(C(=O)/C=C/c2sccc2Br)oc1C 799895866 FFOYNKJGMWFYGE-ONEGZZNKSA-N 311.200 4.617 30 20 DJED COc1ccccc1-c1ccc(/C=C/C(=O)c2cc(C)on2)cc1 806555348 CJILEYAOSCGVIN-FMIVXFBMSA-N 319.360 4.555 30 20 DJED C[C@@H]1/C(=C\c2ccc(OC(F)F)cc2)C(=O)c2ccccc21 809159827 XKQBQYYYBYENFN-YAFRSCOQSA-N 300.304 4.671 30 20 DJED Cc1ccccc1C1(C(=O)OCCCC(C)(C)C#N)CCCC1 811267766 DVTKIGQTCQXZOC-UHFFFAOYSA-N 313.441 4.680 30 20 DJED N#CC1(CC(=O)OCc2cccc(C(F)F)c2)CCCCC1 849907261 ZBGHXVORWNAQSQ-UHFFFAOYSA-N 307.340 4.532 30 20 DJED CCCCCCCC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 912913054 VAUACHMEKDKBHR-ZDUSSCGKSA-N 313.388 4.826 30 20 DJED Cc1cc(C#N)ccc1Oc1ccc(C(=O)OC2CCCC2)cc1 1124355507 BZFMEFUFAJOQBU-UHFFFAOYSA-N 321.376 4.758 30 20 DJED N#Cc1csc(CN[C@H]2CC[C@H](c3cccc(Cl)c3)C2)c1 1178971991 NKTPSKUDRUHANV-HOCLYGCPSA-N 316.857 4.699 30 20 DJED CC(C)(C#N)c1ccccc1CSCc1ccc(Cl)cn1 1261489146 LIYQGWCZLCABPB-UHFFFAOYSA-N 316.857 4.970 30 20 DJED Cc1nsc(N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)c1C#N 1307138934 CFEGVDOHTSLDMW-TZMCWYRMSA-N 317.845 4.725 30 20 DJED Cc1ccc(C)c([C@H]2CCCN2Cc2ccc(F)cc2C#N)c1 1307582395 HHIJFCCWAFESHG-HXUWFJFHSA-N 308.400 4.651 30 20 DJED C=C(CNC(=O)N(CC(C)C)C(CC)CC)c1ccccc1 1312820169 KVCOYCWPJROVDZ-UHFFFAOYSA-N 302.462 4.556 30 20 DJED CCCCN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[C@H](C)C1 1464910643 KTCFXQISVPOYCL-YJBOKZPZSA-N 313.445 4.771 30 20 DJED C[C@@H]1CCN(c2nc(C(C)(C)C)ccc2C#N)[C@H](c2ccco2)C1 1472706162 HYQYBAPAETUYDN-ZBFHGGJFSA-N 323.440 4.821 30 20 DJED CC(C)(C)C1CCC(CNc2ccc(Cl)c(C#N)n2)CC1 1472724059 TZJWIUXLLWLRKY-UHFFFAOYSA-N 305.853 4.871 30 20 DJED N#Cc1nc(Oc2ccc(F)c(C(F)(F)F)c2)sc1Cl 1472759275 LCLYNGRBZOVJKC-UHFFFAOYSA-N 322.670 4.618 30 20 DJED CCC[C@@H]1CCCC[C@H]1CNC(=O)Nc1cccc(C#N)c1C 1476267064 RFLWCIGRNHLWBA-WBVHZDCISA-N 313.445 4.595 30 20 DJED CC[C@@H](CC(=O)OCc1ccc(CC#N)cc1)c1ccc(C)cc1 1520148300 DQMHKOBIOONWTK-IBGZPJMESA-N 321.420 4.688 30 20 DJED COc1ccc([C@H](C)COc2c(C)cc(Cl)cc2C#N)cc1 1559428029 NOQGOPUEGHWRKO-CYBMUJFWSA-N 315.800 4.711 30 20 DJED COc1ccc(CS[C@@H](C)c2ccc(C#N)cc2)c(OC)c1 1559462311 KNHADCMTJYTAFD-ZDUSSCGKSA-N 313.422 4.570 30 20 DJED Cc1cc(CN[C@@H]2c3ccccc3CC[C@H]2C(C)C)ccc1C#N 1560433670 UGYIGVYCMLFZKE-UNMCSNQZSA-N 318.464 4.916 30 20 DJED Cc1cc(Nc2ccc3nc(C(F)F)sc3c2)ncc1C#N 1612357927 WPKWYPRTGLHQCE-UHFFFAOYSA-N 316.336 4.553 30 20 DJED CN(CCC1CCCCC1)Cc1ccc(C#N)cc1OC(F)F 1615367336 VZPVORFSEPVZJM-UHFFFAOYSA-N 322.399 4.562 30 20 DJED CC[C@@H]1CCCC[C@H]1CNc1nc(C(F)(F)F)ccc1C#N 1642735297 YNMYJTSIDPDRIB-YPMHNXCESA-N 311.351 4.600 30 20 DJED CC(C)(C#N)CCCN(c1ccc(Br)cc1)C1CC1 1645703390 XSQVYOSZFNROBJ-UHFFFAOYSA-N 321.262 4.748 30 20 DJED CC[C@@H](c1ccccc1)[C@H]1CCCN1c1cccc(F)c1C#N 1651600662 ZSLHZDUWQTZCQL-QFBILLFUSA-N 308.400 4.860 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1cc(F)cc(Cl)c1 1657467356 ITHLJFVGZXJMNY-UHFFFAOYSA-N 316.807 4.763 30 20 DJED CCOc1ccc(C#N)cc1NCc1ccc(C(F)(F)F)cc1 1658084051 ZRSFNPYGPRNNCM-UHFFFAOYSA-N 320.314 4.588 30 20 DJED CC(C[C@@H](C)CC(C)C)=NNc1ccc(Cl)c(C(=O)O)c1 1776033705 UYDBTANOBFAFPJ-NSHDSACASA-N 310.825 4.898 30 20 DJED Cc1cc(Cl)ccc1/C=C\C(=O)c1cc(C(=O)O)ccc1C 1777423530 JOLGXSUAIQAPDF-VURMDHGXSA-N 314.768 4.551 30 20 DJED CCCC(CCC)S[C@H](C)C(=O)Nc1ccccc1C#N 64048206 SVTBBRYDTXWVFK-CYBMUJFWSA-N 304.459 4.587 30 20 DJED O=C(/C=C/c1ccc(OCC(F)(F)F)cc1)c1ccccc1 72041973 AJLGUTBACVVMAY-DHZHZOJOSA-N 306.283 4.524 30 20 DJED C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(F)c(F)c1 90664558 AAOUCDGCGCWRQJ-SCLBCKFNSA-N 300.352 4.660 30 20 DJED CCc1ccccc1NC(=O)CS[C@H](C)c1ccc(C#N)cc1 118445027 XKNMLESTEDVTED-CQSZACIVSA-N 324.449 4.554 30 20 DJED C=C[C@H](CC(=O)N(C)[C@H](C)c1ccccc1F)c1ccccc1 130281545 IYLBWNRNAQMMRY-HZPDHXFCSA-N 311.400 4.705 30 20 DJED CCCCOc1ccc(CNc2ccccc2O[C@H](C)C#N)cc1 181132659 PKNSMDXBEKWMPX-MRXNPFEDSA-N 324.424 4.768 30 20 DJED Cc1cc(CNc2ccc(CC#N)cc2)c(OC(F)F)cc1C 185145042 BZBLJDXJTYKBPI-UHFFFAOYSA-N 316.351 4.583 30 20 DJED N#C[C@H]1CCC[C@H](Nc2ccc(COCc3ccccc3)cc2)C1 185748673 UZHRQIQGPLZDBA-FPOVZHCZSA-N 320.436 4.898 30 20 DJED C[C@@H]1CC[C@@H](CC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)C1 247700390 UOCDNBHDGJOZGP-FMKPAKJESA-N 324.449 4.813 30 20 DJED C=CCCCCN[C@@H](C)c1sc(-c2cccnc2)nc1C 274615916 VDHGEBQORREHHR-ZDUSSCGKSA-N 301.459 4.520 30 20 DJED C[C@H](/N=C(/O)C1CCC(/N=C(/O)C2CC2)CC1)c1ccccc1 329990800 JHPNWZYDCQJYSV-IGEOTXOUSA-N 314.429 4.629 30 20 DJED CCCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCC[C@H]1C#N 334052565 ORSXMPKKYBRWFK-RDJZCZTQSA-N 313.445 4.576 30 20 DJED CCCC[C@@H](C)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 409994485 SUZXMLMRWUPQHZ-ZWNOBZJWSA-N 313.228 4.501 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1ccc(-c2ccco2)cc1F 439411573 TXBIPGVGATWZJO-CYBMUJFWSA-N 302.349 4.562 30 20 DJED CCC[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 474417608 QXNSJLKSGIKTNF-IBGZPJMESA-N 320.436 4.759 30 20 DJED CC[C@@H](CC#N)NC(=O)Nc1ccccc1Oc1ccc(C)cc1 475009497 JYSQJOPNNTZBPT-HNNXBMFYSA-N 323.396 4.601 30 20 DJED N#CCCCSCC/C=C\c1ccc(Br)cc1 479508774 AORSZVGDFGXJCS-KTAJNNJTSA-N 310.260 4.889 30 20 DJED CCOc1cccc2cc([C@@H](C)Nc3ccc(C#N)c(C)n3)oc12 487916085 PWKJESHSFTVYIA-CYBMUJFWSA-N 321.380 4.580 30 20 DJED C[C@H](SCc1ccc(F)cc1C#N)c1ccc(F)cc1F 488551848 IKSRRIWHKKZNBY-JTQLQIEISA-N 307.340 4.970 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)Nc1sccc1C#N 489493234 RRKDEQXTKHAICX-GXTWGEPZSA-N 310.422 4.548 30 20 DJED C[C@@H](NC[C@H]1CCCCC(F)(F)C1)c1ccc(C#N)c(F)c1 495029550 NZTHTYWRYQEIRT-OLZOCXBDSA-N 310.363 4.564 30 20 DJED CC1(C#N)CCN([C@H]2CCc3c(Cl)cc(Cl)cc32)CC1 506016462 CHIQMBYEWNEIHA-HNNXBMFYSA-N 309.240 4.606 30 20 DJED N#Cc1cc(NCc2csc3ccccc23)nc2ccccc12 524053113 MTQBSPRZOYWGQH-UHFFFAOYSA-N 315.401 4.933 30 20 DJED CC(C)(C#N)CCNC(C)(C)Cc1ccc(C(F)(F)F)cc1 527485407 DDGLMKBUCFKNDY-UHFFFAOYSA-N 312.379 4.556 30 20 DJED C=C[C@H](CC(=O)N(Cc1ccccc1)C1CC1)c1ccccc1 536087838 KJEVQWNXAUCRON-GOSISDBHSA-N 305.421 4.538 30 20 DJED CCCn1c(-c2cnc(C(C)C)s2)nc2cc(C#N)ccc21 536142886 RLPLYEYOQDYGHA-UHFFFAOYSA-N 310.426 4.565 30 20 DJED CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCCCC#N 588330078 MAKVDMPPAUFDIQ-RTBURBONSA-N 312.457 4.645 30 20 DJED C#Cc1cccc(NC(=S)Nc2cccc(OCC(C)C)c2)c1 726468936 HHEKNBOJRYIXHF-UHFFFAOYSA-N 324.449 4.512 30 20 DJED COc1cccc2cc(/C=C3\Cc4c(C)cccc4C3=O)oc12 729152045 ZZMPIBVJBZQRSZ-GXDHUFHOSA-N 304.345 4.572 30 20 DJED CCn1cc(C(=O)/C=C\c2cccc(-c3ccccc3C)c2)cn1 729644536 XNIAZEQDQIBUBL-QXMHVHEDSA-N 316.404 4.775 30 20 DJED COc1ccc(C(=O)/C=C/c2cc(C#N)cs2)c2ccccc12 748441040 VCTBUSTVOXOZNM-SOFGYWHQSA-N 319.385 4.678 30 20 DJED C=C(C)CNC(=S)Nc1ccc(SC(C)(C)C)cc1C 751036725 BPFXWLXUMNRKEH-UHFFFAOYSA-N 308.516 4.748 30 20 DJED CCOc1cc(/C=C2\C[C@@H](C)c3ccccc3C2=O)ccc1O 751534750 DFCUDXSQXYDOOO-WDGDVPDHSA-N 308.377 4.564 30 20 DJED CC(C)(C#N)CCCCOC(=O)/C=C/c1ccc2ccccc2n1 768396405 ZHACHXOUSOTOGN-VAWYXSNFSA-N 322.408 4.511 30 20 DJED COc1cccc(C(=O)/C=C/c2cccc(-c3cccnc3)c2)c1 768485335 UQDAPWDZWKVIRA-ZHACJKMWSA-N 315.372 4.653 30 20 DJED Cc1oc2ccccc2c1CC(=O)OCCCCC(C)(C)C#N 768868781 AAHNVUISNHJFDM-UHFFFAOYSA-N 313.397 4.547 30 20 DJED CC(C)(C)c1cc(NC(=O)[C@H](F)c2ccccc2)c(C#N)s1 769477201 SAYKCACENVPJRF-OAHLLOKOSA-N 316.401 4.567 30 20 DJED CC1CCN(c2ccc(NCc3ccc(C#N)cc3F)cc2)CC1 772929695 QUXJJJSKKABYDJ-UHFFFAOYSA-N 323.415 4.546 30 20 DJED C#CC[C@@H](N[C@H](CCC)c1ccc(OC)cc1)c1ccccc1 773113147 BUYAFWBPJLRBRX-NHCUHLMSSA-N 307.437 4.891 30 20 DJED C#CCCCCCC(=O)N(C)C1c2ccccc2-c2ccccc21 779970253 BMBSRVSBTNBTPT-UHFFFAOYSA-N 317.432 4.799 30 20 DJED O=C(/C=C/C=C/c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 782189117 OBBDBOSODWUGJK-KBXRYBNXSA-N 313.740 4.701 30 20 DJED CC1(C)CCC[C@H](C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)C1 797567851 MTKOXNZCKIKBJN-QWHCGFSZSA-N 318.486 4.833 30 20 DJED Cc1cccc([C@@H]2CCCN2c2nc(Cl)c(C#N)s2)c1C 804499401 CCRWNCBTRIHWAB-ZDUSSCGKSA-N 317.845 4.627 30 20 DJED CC(C)c1nc(C(=O)/C=C/C=C\c2ccc(F)cc2F)co1 806559801 FRJIYMCTQKNPHV-CIIODKQPSA-N 303.308 4.529 30 20 DJED C[C@H]1/C(=C\c2csc(-c3ccccn3)n2)C(=O)c2ccccc21 809158260 ZQGIBZIYXHOHSK-HMHNVIDESA-N 318.401 4.589 30 20 DJED CC(CC1CCCC1)=NNc1nnc(-c2ccccc2)s1 814948872 JHYAAPDSQAYBQJ-UHFFFAOYSA-N 300.431 4.573 30 20 DJED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cccc(C)c1C 815719312 ALZGDXQCYJKOSJ-MRXNPFEDSA-N 307.384 4.568 30 20 DJED CC(C)(C)SCCCC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842940781 JJBZLZQJCZHTHY-LBPRGKRZSA-N 322.499 4.509 30 20 DJED C[C@@H](C#N)Oc1ccccc1NC(=O)CCC1CCCCCC1 846958835 UYQUNLJBEULUHS-HNNXBMFYSA-N 314.429 4.667 30 20 DJED CCCCCCCCCC(=O)N1CC[C@@H](c2ccncc2)C1 848100292 BPWBSEIXZHPSFK-GOSISDBHSA-N 302.462 4.538 30 20 DJED N#CC1(CCCCSCc2noc3c2CCCC3)CCC1 901767200 ZTUDYLDIXKMHNO-UHFFFAOYSA-N 304.459 4.651 30 20 DJED CCOc1ccc(O)c(C=Nc2ccc(-c3nccs3)cc2)c1 920943745 GXONRDVHXPERNI-UHFFFAOYSA-N 324.405 4.665 30 20 DJED CC[C@H](CNc1cccc(F)c1C#N)Oc1ccccc1Cl 1162693011 NDVCXALWJMCOAZ-GFCCVEGCSA-N 318.779 4.620 30 20 DJED C=C(Br)CNCc1ccc(-c2ccc(C)cc2)s1 1177743583 NGZADDAMEYFPSX-UHFFFAOYSA-N 322.271 4.722 30 20 DJED COc1cc(CN(CCC#N)CC(C)(C)C)cc2ccccc12 1180030732 OHYSBVLXKNUPMN-UHFFFAOYSA-N 310.441 4.610 30 20 DJED FC(F)(F)[C@H]1CCC[C@H](C=NNc2cc(Cl)ccn2)C1 1261653221 FBSMISZZERSXOY-UWVGGRQHSA-N 305.731 4.501 30 20 DJED C[C@H](NCCCCC1(C#N)CCC1)c1nc(C(C)(C)C)cs1 1335780859 NJEZRRIAAXOOHG-AWEZNQCLSA-N 319.518 4.955 30 20 DJED CC(C)(C)c1ccc(C(=O)Nc2ccccc2C#N)cc1Cl 1350618787 ONDIGZXFBHKRCV-UHFFFAOYSA-N 312.800 4.761 30 20 DJED CCCc1sc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1CC 1528080901 KRECZVWQTUFFAF-TZMCWYRMSA-N 305.443 4.502 30 20 DJED CC[C@@H]1CCCC[C@@H]1C(=O)N(c1ccc(C#N)cc1)C1CCC1 1533352055 LXAADLJKLVKPNV-APWZRJJASA-N 310.441 4.660 30 20 DJED C[C@@H]1CCC(C)(C)N1Cc1ccc(-c2ccccc2C#N)cc1 1559903771 LMFBKDWWGJEOPS-MRXNPFEDSA-N 304.437 4.988 30 20 DJED COc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1C(C)(C)C 1560589360 MJMFVOBBRRJVKH-HNNXBMFYSA-N 322.452 4.715 30 20 DJED CCCC[C@@H](C)N(CCCC)C(=O)Nc1ccc(F)cc1C#N 1562451180 RLXGCKUSQRLERP-CQSZACIVSA-N 319.424 4.910 30 20 DJED CCC(CC)CN(CCC#N)C(=O)[C@@H](C)CC1CCCCC1 1585341744 FADGGTCVWYEJSG-INIZCTEOSA-N 306.494 4.771 30 20 DJED Cc1c(Cl)cnc(N2CCC[C@@H](C(C)(C)C)CC2)c1C#N 1611979424 BBAQBKYOQDHEFR-CYBMUJFWSA-N 305.853 4.568 30 20 DJED Cc1cccc(C2(CNc3cccc(F)c3C#N)CCCC2)c1 1642186176 VGGJYDNOEDDTCM-UHFFFAOYSA-N 308.400 4.930 30 20 DJED CN(c1ccc(Cl)c(C#N)n1)C1CC(C)(C)CC(C)(C)C1 1651227981 XKFUQSJUWJANJM-UHFFFAOYSA-N 305.853 4.648 30 20 DJED N#CCOc1ccc(NCc2ccc(Cl)c(Cl)c2)cc1 21015213 BDMMLSIRVOVRSG-UHFFFAOYSA-N 307.180 4.508 30 20 DJED CC(C)(C)[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 79436325 VNUPKCWIDVBYNB-SFHVURJKSA-N 321.424 4.662 30 20 DJED Cc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1OC(F)F 174099542 HNTRSAIFUYJTNU-LBPRGKRZSA-N 302.324 4.641 30 20 DJED CC[C@H](C)Oc1ccc(N[C@H](C)c2ccc(OCC#N)cc2)cc1 180085454 PIFSDFDLGGNLQU-JKSUJKDBSA-N 324.424 4.939 30 20 DJED Cc1cc(C)c(C#N)c(S[C@@H](C)c2nc3ccccc3o2)n1 182204279 DXOXDNNFGZLPLF-LBPRGKRZSA-N 309.394 4.565 30 20 DJED CO[C@@H](C)c1nc(CS[C@H](C)c2cccc(C#N)c2)cs1 190804852 IZTIDOKQZMJMMK-NWDGAFQWSA-N 318.467 4.717 30 20 DJED Cc1ccccc1NC(=O)CCS[C@@H](C)c1cccc(C#N)c1 190898844 OKMHMYXBAIFMEZ-HNNXBMFYSA-N 324.449 4.690 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](CC)CCC 195727641 KRNMNVPVWXCELQ-GFCCVEGCSA-N 314.882 4.678 30 20 DJED Oc1ccccc1C=Nc1cccc(C2SCCS2)c1 255836502 GMYQTTFBIKCWBY-UHFFFAOYSA-N 301.436 4.621 30 20 DJED C=CCN(CC1CCCCC1)C(=O)CCc1c[nH]c2ccccc12 303440713 HOEWAVRFSACIEQ-UHFFFAOYSA-N 324.468 4.695 30 20 DJED N#CCCCOc1cccc(CN2CCC3(CCCC3)CC2)c1 353424997 UXTDGAXTHVGRHO-UHFFFAOYSA-N 312.457 4.525 30 20 DJED CSc1cc(NCCCC2(C#N)CCOCC2)ccc1Cl 417076497 LJSRFJNMDQZSOY-UHFFFAOYSA-N 324.877 4.574 30 20 DJED CCSc1cccc(F)c1NCc1cccc(F)c1C#N 427423708 GPNQRCDSAQXKNN-UHFFFAOYSA-N 304.365 4.561 30 20 DJED CC(C)Oc1cccc(CN(C)[C@H](C)c2cccc(C#N)c2)c1 442669526 BQEJMVMISMXMLD-MRXNPFEDSA-N 308.425 4.538 30 20 DJED C=CCC1(C(=O)N[C@H](CC)c2nc(C)cs2)CCCCC1 448919337 ZWMMEUXTBNOQRE-CQSZACIVSA-N 306.475 4.545 30 20 DJED C=CCC[C@H](NC(=O)Nc1c(C)cccc1F)c1ccccc1 461922334 WZJYSOXEVQOAHE-KRWDZBQOSA-N 312.388 4.963 30 20 DJED C[C@H](N[C@H]1c2ccccc2CCC[C@@H]1C)c1cccc(C#N)c1 462842220 XMIFERHVXSUJOJ-CKJXQJPGSA-N 304.437 4.923 30 20 DJED COc1ccc2cc(CN(C)CCCC(C)(C)C#N)ccc2c1 471714592 QAOIBLHXBUONNO-UHFFFAOYSA-N 310.441 4.610 30 20 DJED C=CCCCC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 479849199 HSCPPSBLFRFBRR-UHFFFAOYSA-N 311.347 4.557 30 20 DJED C=CCSc1ccccc1C(=O)N[C@@H]1CCc2cc(C)ccc21 485469671 WFVJSVJXNXEBLO-GOSISDBHSA-N 323.461 4.690 30 20 DJED C=CCOc1cccc(CNCc2cccc(SCC)c2)c1 492239225 IAQOZQGOCSKTSQ-UHFFFAOYSA-N 313.466 4.653 30 20 DJED C=C(C)CCc1noc([C@H]2C[C@@H]2c2c(F)cccc2Cl)n1 508683198 YHSZUXSEQSUAKR-QWRGUYRKSA-N 306.768 4.642 30 20 DJED C=CCOc1ccc(C(=O)N(CC)c2cccc(C)c2C)cc1 510097516 GIYPHEFTIXRKDV-UHFFFAOYSA-N 309.409 4.535 30 20 DJED CC(C)(C)CN(CCC#N)Cc1csc(-c2ccccc2)n1 513746463 XNOJQMNILRIYSG-UHFFFAOYSA-N 313.470 4.572 30 20 DJED C=C(CC)CS[C@H](C)C(=O)Nc1cc(Cl)ccc1F 539094965 GSNLBPWNOXBGLL-SNVBAGLBSA-N 301.814 4.506 30 20 DJED N#Cc1csc(CN2CCCC[C@H]2c2ccc(F)cc2F)c1 539895320 QJKBLLAFBNSECF-KRWDZBQOSA-N 318.392 4.625 30 20 DJED C=CCCOCCCCC(=O)N1CCCCCc2ccccc21 540614306 HUWAIBSDDBLAQY-UHFFFAOYSA-N 315.457 4.509 30 20 DJED C[C@H](NCCC(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 541084534 AGRPAOFEUMJZIC-ZDUSSCGKSA-N 318.342 4.828 30 20 DJED Cc1ccc(-c2ccc(C(=O)Nc3cccc(C#N)c3C)s2)o1 541964193 ITWXIZURSZZSHV-UHFFFAOYSA-N 322.389 4.749 30 20 DJED C=CCC(C)(C)C(=O)Nc1ccc(N2CCCCCC2)cc1C 552361616 HIKQSTLOVIYQTE-UHFFFAOYSA-N 314.473 4.916 30 20 DJED N#Cc1cc(Oc2ccc(NC3CCC4(CC3)CC4)cc2)ccn1 562081732 RQIUWAKBTJVRTE-UHFFFAOYSA-N 319.408 4.880 30 20 DJED C=C(C)CN(Cc1ccc2occc2c1)Cc1cnn(C(C)C)c1 570857967 SDDJEWPJDOHIGY-UHFFFAOYSA-N 323.440 4.789 30 20 DJED CSc1ccsc1C(=O)[C@H](C#N)c1ccc2ccccc2n1 593595355 IVXZUQICJBUKSG-GFCCVEGCSA-N 324.430 4.508 30 20 DJED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(C(F)F)nc1 595021673 DMBVQVMEVUEWCL-CJNGLKHVSA-N 315.367 4.715 30 20 DJED C[C@H](N[C@H](C#N)c1ccccc1)c1ccc(OCC2CC2)c(F)c1 595422402 XJUSVEQLCQIVIX-IFXJQAMLSA-N 324.399 4.530 30 20 DJED Cc1cc(CSCc2ccc(-c3ccccc3C#N)cc2)on1 609235725 NBVVOSIKFPDDOE-UHFFFAOYSA-N 320.417 4.955 30 20 DJED N#Cc1ccc(N2CC[C@@H](c3ccccc3)C2)c(C(F)(F)F)c1 609961729 INUYWOZTQBQWQS-OAHLLOKOSA-N 316.326 4.571 30 20 DJED C=CCC1(NCc2csc([C@@H](C)OCC)n2)CCCCC1 625936234 DZYFWOQBGXNLDR-CQSZACIVSA-N 308.491 4.609 30 20 DJED Cn1cc(C(=O)/C=C/c2ccc3ncccc3c2)c2ccccc21 726741802 ZQKHJBSRGYATKR-PKNBQFBNSA-N 312.372 4.623 30 20 DJED C=CCN(C(=O)Nc1ccc2c(ccn2CC(C)C)c1)C(C)C 729040144 KEEQUAAAQIVMPK-UHFFFAOYSA-N 313.445 4.726 30 20 DJED CC(=NNc1ccccc1F)c1ccccc1OC(F)(F)F 730947936 PSZUGMRKGREHHN-UHFFFAOYSA-N 312.266 4.560 30 20 DJED CCn1c(C(C)=NNc2ccc(Cl)cc2)nc2ccccc21 741450913 FVRFLSLWMJICNJ-UHFFFAOYSA-N 312.804 4.546 30 20 DJED CC(=NNc1ccc(Cl)nc1)c1cccc(C(F)(F)F)c1 743450204 HOKBVXYYRJMQPX-UHFFFAOYSA-N 313.710 4.590 30 20 DJED CCCCCCCCCCC(=O)N1CCC2(CCOCC2)C1 743783411 NHHNMGXNVBQZIE-UHFFFAOYSA-N 309.494 4.546 30 20 DJED CC(=NNc1cccc(C)c1)c1sc(-c2cccnc2)nc1C 747602940 UFVMIQHAECRYQF-UHFFFAOYSA-N 322.437 4.658 30 20 DJED Fc1cccc(F)c1C=NOCc1ccc(C(F)(F)F)cc1 749787787 ZDZKLPKHAJJQMQ-UHFFFAOYSA-N 315.241 4.534 30 20 DJED CC[C@@H](C#N)OC(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F 753428987 FIHPJBGMCAYDNK-INIZCTEOSA-N 311.356 4.569 30 20 DJED C#CC[C@H](N[C@H](C)c1cc2c(cc1O)CCCC2)c1ccccc1 756776881 ULWFBYJONUHGSS-IERDGZPVSA-N 319.448 4.686 30 20 DJED C#Cc1cccc(N(CC)C(=O)c2ccc3sccc3c2)c1 760504344 ZPPJZJBWOHMXHW-UHFFFAOYSA-N 305.402 4.549 30 20 DJED Cc1ncsc1/C=C/C(=O)c1ccc(OC(C)(C)C)cc1 764921247 PGVPQPTWJXRNQM-MDZDMXLPSA-N 301.411 4.525 30 20 DJED CCc1cnccc1C(=O)/C=C/c1ccccc1C(F)(F)F 766771353 DSVNVVZYHJAIHQ-BQYQJAHWSA-N 305.299 4.559 30 20 DJED CC(C)Oc1ccc(/C=C\C(=O)c2cccc(F)c2F)cc1 776267629 CJQVYAAJFWEYTA-FLIBITNWSA-N 302.320 4.648 30 20 DJED CCOc1cccc([C@@H](C)Nc2cccc(OCCCC#N)c2)c1 776842124 UCNHPEGUQSJRPW-MRXNPFEDSA-N 324.424 4.941 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C\c3sccc3Cl)c2c1 782327615 SRDVCAITSUBLMF-PLNGDYQASA-N 317.797 4.788 30 20 DJED C[C@H](OC(=O)CC(C)(C)C#N)c1ccc(Cl)cc1Cl 785096855 YFKHTCBPBIRIRC-VIFPVBQESA-N 300.185 4.537 30 20 DJED CC(/C=C\C(=O)c1ccncc1)=C/c1ccccc1OC(F)F 811685172 KWWSJZMIERCPFB-ASZCUJMBSA-N 315.319 4.525 30 20 DJED Cc1nn(C)c(Cl)c1C=NN(c1ccccc1)c1ccccc1 812486377 MXWGZHSFYMNFEX-UHFFFAOYSA-N 324.815 4.554 30 20 DJED C=CCC(F)(F)C(=O)Nc1ccc(-c2ccccc2)cc1C 814978809 WWEREXVADDYHDX-UHFFFAOYSA-N 301.336 4.812 30 20 DJED Clc1cccc(CON=Cc2ccccc2Br)c1 852249788 PAOMCASIMCYYIL-UHFFFAOYSA-N 324.605 4.653 30 20 DJED C=C[C@@H](Cc1nc(Cc2ccccc2Cl)no1)c1ccccc1 904370220 QNBLSMQECTUMQF-AWEZNQCLSA-N 324.811 4.826 30 20 DJED CCc1ccccc1NN=Cc1cn(CCC#N)c2ccccc12 915051885 XGTPKULRMXWNSQ-UHFFFAOYSA-N 316.408 4.563 30 20 DJED C[C@@H]1C[C@H]1c1ccc(C=NNCc2ccc(C(F)(F)F)cc2)o1 915971923 GCOLQWTXSQHBAY-IAQYHMDHSA-N 322.330 4.546 30 20 DJED CCOc1cccc(C=Nc2cccc(N3CCCCC3)c2)c1O 920174457 NABDSAPNYUUZCY-UHFFFAOYSA-N 324.424 4.532 30 20 DJED CC[C@H](OC(=O)c1csc(C#N)c1)c1c(F)cccc1Cl 1127133458 YOUCNWRXLWJTIS-ZDUSSCGKSA-N 323.776 4.720 30 20 DJED CCCCC1CCC(C(=O)Nc2ccc(OC)c(C#N)c2)CC1 1132760296 YFWHQLGLXRLTOU-UHFFFAOYSA-N 314.429 4.502 30 20 DJED Cc1nc(Nc2ccc3c(c2)C(C)(C)CC3(C)C)ccc1C#N 1185988208 XAJUXWLMUJVVNA-UHFFFAOYSA-N 305.425 4.964 30 20 DJED N#Cc1c(F)cccc1N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 1186176431 YETKZGCZFJTVPD-ILZDJORESA-N 320.411 4.860 30 20 DJED Cc1nc(NCC2(c3cccs3)CCCCC2)ccc1C#N 1306975433 SWYYQDCGROXWEM-UHFFFAOYSA-N 311.454 4.637 30 20 DJED Cc1ccccc1[C@@H](NCCc1ccc(C#N)cc1)C(C)(C)C 1307627167 RJGDHDRXULSWPO-HXUWFJFHSA-N 306.453 4.786 30 20 DJED N#CCc1cccc(N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)n1 1344123416 HGVCAMNPOPNDQN-QGZVFWFLSA-N 315.779 4.503 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(SCCC(C)(C)C)n1 1472965829 NWZMPXOZSKVBPX-UHFFFAOYSA-N 302.365 4.809 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1cc(Cl)ccc1F 1474172513 ROAYBCZEMGKEIN-UHFFFAOYSA-N 318.779 4.750 30 20 DJED N#Cc1ccc(OCCc2cccc(Cl)c2Cl)cc1F 1559373059 WXUZGRBJVCRPGB-UHFFFAOYSA-N 310.155 4.626 30 20 DJED CC[C@H](OC(=O)c1cc(C#N)ccc1C)c1cccc(Cl)c1 1584226849 RJUOBHWXUQPHCZ-KRWDZBQOSA-N 313.784 4.828 30 20 DJED Cc1cc(C(F)(F)F)ccc1CNc1cccc(C#N)c1C 1620955094 RZPDRIFVTLRXRQ-UHFFFAOYSA-N 304.315 4.806 30 20 DJED CCCN(CCOc1ccccc1C#N)[C@H](CC)c1ccccc1 1641607069 SIAWMXZQUVYTCH-HXUWFJFHSA-N 322.452 4.800 30 20 DJED N#Cc1cccnc1Nc1cccc(COC2CCCCC2)c1 1642169550 SADOVEPOHIWYGH-UHFFFAOYSA-N 307.397 4.546 30 20 DJED CC(C)CCc1nc(COc2cc(Cl)cc(C#N)c2)cs1 1652868838 LFEIKZIUHVPNDF-UHFFFAOYSA-N 320.845 4.836 30 20 DJED Cc1cc(CN(C)Cc2ccc(C(F)(F)F)cc2)ccc1C#N 1658205676 OARSXTHNLSFVJB-UHFFFAOYSA-N 318.342 4.518 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1c(F)cccc1CC 1776783716 DTBXKJBSGKFDNS-INIZCTEOSA-N 323.452 4.682 30 20 DJED C=CCn1c(S[C@@H](C)c2ccc(Cl)cc2)nnc1C1CC1 60423862 NOISJCIMFXAFRG-NSHDSACASA-N 319.861 4.848 30 20 DJED C=C(C)COc1cccc(NC(=O)CCCc2ccccc2)c1 78554510 BLOBXZGFSSZENT-UHFFFAOYSA-N 309.409 4.603 30 20 DJED C[C@H](NC[C@@H](C#N)CCC#N)c1ccc(Oc2ccccc2)cc1 112540519 MXMDMKTYIGCGGC-DLBZAZTESA-N 319.408 4.573 30 20 DJED N#CCCn1cc(C(=O)CSc2ccccc2)c2ccccc21 120551443 UMGWYYLVWHTWDX-UHFFFAOYSA-N 320.417 4.530 30 20 DJED Cc1ccccc1Oc1ccccc1CNCc1ccc(C#N)o1 174365199 WNCOKLZZCUGWCJ-UHFFFAOYSA-N 318.376 4.542 30 20 DJED N#CCCCSCc1ccc(Br)c2cccnc12 191013706 DFDGNTDREBCZGC-UHFFFAOYSA-N 321.243 4.534 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)CC/C=C\c2ccccc2)cc1 255088278 LKTLWJVQVJXMAI-POHAHGRESA-N 318.420 4.920 30 20 DJED Cc1[nH]nc(C(F)F)c1N=C(O)[C@H]1CCSc2ccccc21 329719014 ZUJONNUKVCHBCE-JTQLQIEISA-N 323.368 4.523 30 20 DJED C/C(=C\c1cnc(C(C)C)s1)c1nc2ccccc2n1CC#N 414069133 IXKUPGXKLUTMIO-JLHYYAGUSA-N 322.437 4.700 30 20 DJED CC(C)(CC#N)CN[C@H](c1cccc(C(F)(F)F)c1)C1CC1 414166790 OEUWGHDNTLJCIX-HNNXBMFYSA-N 310.363 4.686 30 20 DJED Cc1c(C#N)cccc1NC(=O)CCc1ccc2ccccc2c1 431852585 XVFUFXNBCRVDEO-UHFFFAOYSA-N 314.388 4.591 30 20 DJED N#Cc1nnc2ccccc2c1S[C@H]1CCCc2ccccc21 466829096 OQVUEZOJXKKVJD-SFHVURJKSA-N 317.417 4.671 30 20 DJED C=CC[C@@H]1N(C(=O)CCc2c[nH]c3ccccc23)CCCC1(C)C 470299404 UJSHGYVPFYSGCV-IBGZPJMESA-N 324.468 4.694 30 20 DJED C=CCCC1(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 474784430 QFWLUVUREHVWDQ-LBPRGKRZSA-N 311.347 4.629 30 20 DJED C[C@H]1CC(C)(C)N(C(=O)c2ccc(C#N)s2)c2ccccc21 479271800 BVHLYWHCPYFEBP-LBPRGKRZSA-N 310.422 4.552 30 20 DJED CCCCc1ccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 505326712 WCKFXDWKPNIDOD-OAHLLOKOSA-N 321.424 4.784 30 20 DJED CCCCCN(C(=O)c1cccc(CC#N)c1)[C@@H](C)CCC 516825282 NXBMAQVWTWCHPP-INIZCTEOSA-N 300.446 4.574 30 20 DJED C=CCCC[C@H](C)NC(=O)N(C)[C@H](C)c1ccccc1Cl 537187158 VUQHRZIEYSQHTF-UONOGXRCSA-N 308.853 4.787 30 20 DJED N#Cc1cc(C(=O)N(CC2CCC2)c2ccccc2)ccc1Cl 538684124 DGTUHCFSAFQLQR-UHFFFAOYSA-N 324.811 4.659 30 20 DJED CN(Cc1ccc(CC#N)cc1)Cc1cccc(Cl)c1Cl 543206004 JULFRRVMJPITRW-UHFFFAOYSA-N 319.235 4.691 30 20 DJED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(Cl)cc1 561139931 HUSWCEHDHFUWDO-YJYMSZOUSA-N 310.828 4.940 30 20 DJED N#CCCN(C(=O)c1csc2ccccc12)c1ccc(F)cc1 581744279 LVSKNTOLTKLYNK-UHFFFAOYSA-N 324.380 4.601 30 20 DJED Cc1cccnc1[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)C(C)C 611392869 RGAXDGYEHQEJDD-WOJBJXKFSA-N 319.452 4.626 30 20 DJED N#Cc1ccc(NC(=O)/C=C\c2ccc(Cl)s2)c(Cl)c1 701278313 DJKMBIRLKQVCOT-UTCJRWHESA-N 323.204 4.578 30 20 DJED CCOc1cccc(/C=C/C(=O)c2nc3ccccc3s2)c1 726427501 MWMJBLXBLCQMRC-ZHACJKMWSA-N 309.390 4.591 30 20 DJED C=CCOc1ccc(/C=C/C(=O)c2cccc(O)c2)cc1Cl 727263470 CZRQHUBSRZDFMU-SOFGYWHQSA-N 314.768 4.507 30 20 DJED CCCCCCCCC(=O)Nc1ccc(F)c(NC(=O)OC)c1 727332529 HGOUXQYXDWVWHR-UHFFFAOYSA-N 324.396 4.693 30 20 DJED Cc1cccc(-c2n[nH]cc2/C=C2\CCc3ccccc3C2=O)c1 728785281 CMKUVEKOPJAXHD-SFQUDFHCSA-N 314.388 4.598 30 20 DJED C[C@@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(C)(C)C 734390953 GWUQKFHUDCHUJQ-HNAYVOBHSA-N 320.436 4.963 30 20 DJED C=C(Cl)CNC(=O)Nc1ccc(S[C@@H](C)CC)cc1C 736965872 ZKJOWXFYUNHXQZ-LBPRGKRZSA-N 312.866 4.760 30 20 DJED CCCOc1ccc(C(=O)/C=C/c2ccc(COC)cc2)cc1 741849230 UZRLBTKXJUUYEE-MDWZMJQESA-N 310.393 4.518 30 20 DJED C=C(Cl)CN1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 749307714 UUPXIQNKDWHRRT-HNNXBMFYSA-N 317.864 4.549 30 20 DJED N#Cc1csc(C(=O)Nc2ccc(-c3ccccc3)cc2)c1 752266475 XUFTUWOJTDLSIU-UHFFFAOYSA-N 304.374 4.539 30 20 DJED C[C@@H](C=NNc1c(Cl)cc(Cl)cc1Cl)CCC#N 765991587 CDXWSSDXTFMAKU-MRVPVSSYSA-N 304.608 4.984 30 20 DJED Cc1ccc([C@@H](C)N(C)Cc2ccc(O[C@H](C)C#N)cc2)c(C)c1 768269361 RTLGSFYELCYFRU-QZTJIDSGSA-N 322.452 4.787 30 20 DJED O=C(/C=C\c1cccc2nccn12)c1ccc(Cl)cc1Cl 769603362 XJLLDLQFZOWBEV-ALCCZGGFSA-N 317.175 4.537 30 20 DJED C#CC[C@H](N[C@@H]1CCSc2ccc(F)cc21)c1ccccc1 773113634 DIPHKOFMHVKZGV-ZWKOTPCHSA-N 311.425 4.717 30 20 DJED O=C(/C=C/c1ccc(Cl)nc1Cl)c1ccc(Cl)cc1 779358801 VWRBJVKAFKHEBQ-XVNBXDOJSA-N 312.583 4.938 30 20 DJED C#CCCCCCC(=O)N(Cc1ccccc1)Cc1ccccc1 779704218 PGIZYCHESZVPKF-UHFFFAOYSA-N 319.448 4.799 30 20 DJED Cc1c(C(=O)OCC(C)(C)C#N)oc2c1ccc1ccccc12 781467481 AAROWRQNIQDJRA-UHFFFAOYSA-N 307.349 4.601 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccc(SC(F)F)cc2)cc1 781543328 MFEQVLVXUBKORO-YHYXMXQVSA-N 315.344 4.769 30 20 DJED O=C1/C(=C\c2cccc(C(F)(F)F)c2)Cc2nc(Cl)ccc21 806579795 RXJPMDINLNSSKE-POHAHGRESA-N 323.701 4.576 30 20 DJED CSC(C)(C)CC=NNc1nc(-c2ccccc2)cs1 814768784 AVBHLDSSDMISEC-UHFFFAOYSA-N 305.472 4.740 30 20 DJED O=C(/C=C/c1ccc2oncc2c1)c1ccc(C(F)(F)F)cc1 821038704 KVUGLXYPOIEABN-LREOWRDNSA-N 317.266 4.743 30 20 DJED C=C(C)CCNC(=S)Nc1c(Cl)ccc(C)c1Cl 840793826 YWTBLRBIKGXTHV-UHFFFAOYSA-N 303.258 4.554 30 20 DJED CCCCCCCC(=O)Nc1ccccc1NC(=O)NC(C)C 918592168 BLBWBDAMCQQNIN-UHFFFAOYSA-N 319.449 4.516 30 20 DJED Cc1c(C#N)cccc1C(=O)Nc1ccccc1OCCC(C)C 1130220783 SXOXLSXBHZAOEA-UHFFFAOYSA-N 322.408 4.544 30 20 DJED CC[C@H](Nc1ncc(C#N)cc1Cl)C(C)(C)c1ccccc1 1162822918 AIXKRBDIBFWSHB-INIZCTEOSA-N 313.832 4.775 30 20 DJED Cc1cc(C#N)ccc1CN1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 1169698698 SUVDECSDDFVNCE-FGZHOGPDSA-N 314.432 4.687 30 20 DJED CC(C)C[C@@]1(C)CCCN1Cc1cc(Cl)ccc1OCC#N 1170478391 BQSPVVDGYARWEN-GOSISDBHSA-N 320.864 4.643 30 20 DJED CC1(C)CCC(CNc2c(Br)cccc2C#N)CC1 1186014763 RZRQDBKZDOKEMC-UHFFFAOYSA-N 321.262 4.949 30 20 DJED Cc1nc(N2CCCC3(CCCCC3)CC2)c(Cl)cc1C#N 1307093515 CNHMYHWFHOBBKH-UHFFFAOYSA-N 317.864 4.856 30 20 DJED C=C(Cl)CN[C@@H](C)c1ccc(OCc2cccc(C)c2)cc1 1307609672 ATOCBXQRRJZZME-INIZCTEOSA-N 315.844 4.977 30 20 DJED Cc1ccc(C)c([C@@H](C)OC(=O)C2(c3cccc(C#N)c3)CC2)c1 1435786864 NCTKTMORTBRXTO-MRXNPFEDSA-N 319.404 4.511 30 20 DJED Cc1c(C(=O)O[C@H]2CCC[C@@H](C#N)C2)sc2cc(F)ccc12 1528490808 SYOFYYRWLLQTKC-YPMHNXCESA-N 317.385 4.588 30 20 DJED COc1ccccc1[C@@H](CC(C)C)OC(=O)c1cccc(C#N)c1 1595973578 PNHIPAMCTFDOBK-LJQANCHMSA-N 323.392 4.511 30 20 DJED CCCN(Cc1cc(F)cc(C(F)(F)F)c1)CC(F)(F)F 1621189874 GQNHCYNFKZTKKL-UHFFFAOYSA-N 317.248 4.619 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)c1ccc(C(C)C)cc1 1628250222 GYQQQZXWVORQHN-UHFFFAOYSA-N 321.424 4.756 30 20 DJED CC[C@H](C)c1ccc(C(=O)N(CCC#N)CCC(C)C)cc1 1628456622 BZLLKJZQPQIUAA-INIZCTEOSA-N 300.446 4.602 30 20 DJED CCN(C[C@H](C)C#N)C(=O)CC1CCC(C(C)(C)CC)CC1 1630277088 WCPDHGQTVJRNDR-KLAILNCOSA-N 306.494 4.627 30 20 DJED Cc1ccc(N(CCC#N)C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 1631761783 DTEMBVLWZZZLPP-GUDVDZBRSA-N 324.468 4.848 30 20 DJED C=C(Cl)CSc1nc(-c2ccco2)nc2ccccc12 1651736209 UUBLNMIYUUZKFX-UHFFFAOYSA-N 302.786 4.734 30 20 DJED N#Cc1cc(Cl)ccc1CN[C@@H]1CCCCC12CCCC2 1654536702 NNUDXKBJEWPHRB-QGZVFWFLSA-N 302.849 4.804 30 20 DJED Cc1cc(N[C@H]2CCC[C@@H](C#N)C2)cc(C)c1Br 1659107139 URPXEQCBECPVEW-OLZOCXBDSA-N 307.235 4.560 30 20 DJED N#Cc1cccc(CN2CCC(CCc3ccccc3)CC2)c1F 1660184529 JCZPDNBGDZEVDS-UHFFFAOYSA-N 322.427 4.542 30 20 DJED C[C@@H](CCc1c[nH]c2ccccc12)Nc1ccc(CC#N)cc1 1664217487 AVJSYAIKHXOWNR-HNNXBMFYSA-N 303.409 4.667 30 20 DJED Cc1csc(NC(=O)N2CCC(C)(CC(C)C)CC2)c1C#N 1677351160 AAYNCRVFZLJBPY-UHFFFAOYSA-N 319.474 4.608 30 20 DJED CC(=NNc1cccc(C(=O)O)c1)[C@@H](C)c1ccc(Cl)cc1 1776037301 WKDZBLAJHALYOJ-LLVKDONJSA-N 316.788 4.630 30 20 DJED CCC[C@@H](C)CCCC(C)=NNc1ccc(C(=O)O)cc1OC 1776050988 OHFUGIJMDDYDMR-CYBMUJFWSA-N 320.433 4.788 30 20 DJED CC[C@@H](C)c1ccc(C(=O)/C=C/c2ccc(C(=O)O)s2)cc1 1776697884 UOGYHIOHDARWEY-ZJNQMXKESA-N 314.406 4.856 30 20 DJED C#CCCCCC(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1 119653567 KIECAFYAEACTQY-CQSZACIVSA-N 303.833 4.586 30 20 DJED COc1ccc(/C=C/C(=O)c2cnn(C(C)C)c2)c2ccccc12 119671357 BUAWMBYWHOFYIZ-CSKARUKUSA-N 320.392 4.522 30 20 DJED C/C=C(\C=C\C(=O)Nc1ccccc1S[C@H](C)CC#N)CC 121320103 LDFBURVCQMRQQJ-JNJHRVDDSA-N 314.454 4.932 30 20 DJED CC(C)c1cccc2c1OCCC[C@@H]2NCc1cccc(C#N)c1 121879507 ACBRGLTXCZBIKT-FQEVSTJZSA-N 320.436 4.685 30 20 DJED C[C@@H](NCc1cccc(COC(C)(C)C)c1)c1ccc(C#N)cc1 174038315 VNODCGVHSFBKOE-MRXNPFEDSA-N 322.452 4.724 30 20 DJED C=C(C)[C@H](NCc1ccc(OC)c(F)c1)c1ccc(F)c(F)c1 187374512 WYWQFDXVSJUVCL-SFHVURJKSA-N 321.342 4.520 30 20 DJED Cc1cc(C)cc(Nc2ccc(C#N)c(Br)c2)c1 228176175 JYGZWDFIVLLTJS-UHFFFAOYSA-N 301.187 4.681 30 20 DJED Cc1ccc(Cl)cc1NC(=O)[C@@H](C)SCCC(C)(C)C#N 289407802 OERLEYSXNPYPKX-GFCCVEGCSA-N 324.877 4.649 30 20 DJED C[C@@H](Nc1cccc(F)c1C#N)c1ccc(OC(F)(F)F)cc1 319538531 LXWOBHQEZGYKGN-SNVBAGLBSA-N 324.277 4.769 30 20 DJED CCc1cc(C(=O)Nc2ccc(CC#N)cc2Cl)sc1C 452644314 LKWSTBYOLSGKLU-UHFFFAOYSA-N 318.829 4.591 30 20 DJED C[C@@H](CCC1CCCCC1)NC(=O)[C@@H](C)c1cccc(C#N)c1 462073745 LYRYDGOJDBYYGM-HOTGVXAUSA-N 312.457 4.527 30 20 DJED C[C@H](N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1cccc(C#N)c1 479489699 NDGGPJKKMQIZHR-ADLFWFRXSA-N 308.400 4.684 30 20 DJED C=CCCCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 479551226 LVQPXZZJSIEMCO-UHFFFAOYSA-N 306.365 4.645 30 20 DJED C=CCC[C@H](C(=O)N[C@H](C)Cc1cccs1)c1ccccc1 488319087 KTDSQWOKORJEFL-QAPCUYQASA-N 313.466 4.545 30 20 DJED CC[C@H](NC[C@@H]1CCCCC(F)(F)C1)c1ccc(C#N)cc1 495004899 NAQWUTWDQKQMOV-WBVHZDCISA-N 306.400 4.815 30 20 DJED CC(C)C[C@@H](C(=O)Nc1ccc(CC#N)cc1)c1ccccc1 525339800 WCILDYROEBIJJJ-LJQANCHMSA-N 306.409 4.521 30 20 DJED C[C@@H]1CCC[C@H](c2noc(CSc3ccc(C#N)cc3)n2)C1 544228529 GKLITPMHDBNTBL-OCCSQVGLSA-N 313.426 4.527 30 20 DJED C=CCCO[C@@H](C)c1nc([C@@H](c2ccc(C)cc2)C(C)C)no1 579884706 OKHWSQWHKNRJDO-DOTOQJQBSA-N 314.429 4.820 30 20 DJED N#CCC1(CN[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 585765150 SWFKRXNDGSDOJV-HOTGVXAUSA-N 322.374 4.625 30 20 DJED CCc1cccc(CC)c1NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 593942133 GLNLMKHCVHHKMY-HNNXBMFYSA-N 320.436 4.500 30 20 DJED Cc1cc(F)ccc1-c1ccc(CN2CCC[C@@H](CC#N)C2)o1 597172532 CDYPNUUUQFBARS-HNNXBMFYSA-N 312.388 4.520 30 20 DJED C[C@@H]1C[C@@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603673207 KYTQQKCJELFLQO-OAUYIBNBSA-N 324.811 4.590 30 20 DJED CCCc1ccc(CNc2cccc(OCCCC#N)c2)cc1 603835275 DMGFPUZESHYLJQ-UHFFFAOYSA-N 308.425 4.934 30 20 DJED C=CCCCCCN(C)C(=O)c1[nH]c2ccccc2c1Cl 606881540 RCZVSVDAHAJRMV-UHFFFAOYSA-N 304.821 4.640 30 20 DJED CCN(C(=O)[C@@H](C)c1cccc(C)c1)[C@@H](C)c1ccc(C#N)cc1 610039034 SPGIFCBXKYDCOP-IRXDYDNUSA-N 320.436 4.580 30 20 DJED C=C1CCN([C@H](C)c2nnc(-c3ccc4ccccc4c3)o2)CC1 639483008 PTCKREOQVUWVRO-OAHLLOKOSA-N 319.408 4.603 30 20 DJED Cc1cccc(C(=O)/C=C/c2cn3cc(Cl)ccc3n2)c1C 734305539 WXHOANVSUWRUEU-BQYQJAHWSA-N 310.784 4.501 30 20 DJED CC(C)=CCC/C(C)=C\C=NNc1oc(C(C)C)nc1C#N 745611798 JFKFKXDUULCHPY-LWIAJIJASA-N 300.406 4.760 30 20 DJED O=C(/C=C/c1ccc(Cl)nc1)c1cccc(C(F)(F)F)c1 748994096 FPIZLEGSHQZUAM-GQCTYLIASA-N 311.690 4.650 30 20 DJED COc1ccc2oc(C(=O)/C=C\c3ccc(C#N)s3)c(C)c2c1 748999617 YVIGEDCYNUXIHL-SREVYHEPSA-N 323.373 4.579 30 20 DJED C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)C1CCCC1 750687060 KCUUDKHLFGYCTH-BBRMVZONSA-N 324.449 4.813 30 20 DJED CCn1nc(C)c(C(=O)/C=C\c2cccc3ccccc23)c1C 750913566 OIISEBQTMUHZPL-SEYXRHQNSA-N 304.393 4.569 30 20 DJED C#CC[C@@H](NC(=O)Nc1cccc(Cl)c1C)c1ccccc1 757771361 JXYBEZIMVXOUHQ-QGZVFWFLSA-N 312.800 4.535 30 20 DJED Fc1ccc(C=NOCc2nc(C3CCCCC3)cs2)cc1 766684549 MNOMWCANXYWLBX-UHFFFAOYSA-N 318.417 4.881 30 20 DJED C[C@H](C#N)Oc1ccc(CN(CC2CC2)C2CCCCC2)cc1 769306624 AVMRGZCTRFSCOV-MRXNPFEDSA-N 312.457 4.522 30 20 DJED C[C@H](Nc1ccc(N(C)C)c(Cl)c1)c1ccc(C#N)c(F)c1 777646760 HBFNMHSRYLQEAC-NSHDSACASA-N 317.795 4.590 30 20 DJED N#CCCCCCC(=O)Nc1ccc2c(c1)oc1ccccc12 805162846 OMUAIWQGWBRBOP-UHFFFAOYSA-N 306.365 4.999 30 20 DJED N#CCC1(OC(=O)CC(c2ccccc2)c2ccccc2)CCC1 810855535 OCRRUPBVNCFMGT-UHFFFAOYSA-N 319.404 4.588 30 20 DJED CCOc1cccc(C=Nc2ccc(-c3ccccn3)cc2)c1O 811625469 NKQMZUGIAVNMRP-UHFFFAOYSA-N 318.376 4.604 30 20 DJED CC(=NNc1c(F)cccc1Cl)c1nccc2ccccc12 811647340 HPRBEMHDBYPFJV-UHFFFAOYSA-N 313.763 4.863 30 20 DJED C=CC[C@H]1N(C(=O)CC[C@@H]2CC2(Cl)Cl)CCCC1(C)C 834547585 JGSIDSRLZRSTQQ-CHWSQXEVSA-N 318.288 4.554 30 20 DJED O=C1/C(=C/c2ccc(Cl)s2)CSc2c(F)cccc21 834808396 ZTWTXNXPLTXYCN-SOFGYWHQSA-N 310.802 4.913 30 20 DJED CC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 835388873 XHIQALHLXIJALK-STQMWFEESA-N 306.475 4.689 30 20 DJED C#CCCCC(=O)Nc1ccccc1N[C@H](C)c1ccccc1 848041177 WRIYJCOAVLKPND-MRXNPFEDSA-N 306.409 4.602 30 20 DJED Cc1cc(/C=C\C(=O)c2cccs2)cc(C)c1OC(F)F 916136277 DQUJNYDYDMILGB-WAYWQWQTSA-N 308.349 4.862 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc(OC(F)F)cc2)cc1C 916137551 JYHTXBYLVZCVOD-POHAHGRESA-N 302.320 4.801 30 20 DJED CC(C)Oc1ccccc1C=NNc1nc2ccccc2s1 916248993 SVTHDTSPFDXLMO-UHFFFAOYSA-N 311.410 4.530 30 20 DJED Cc1nc2cc(Nc3nc(C)c(C#N)cc3Cl)ccc2s1 1164195668 LRGMSFVTKFQNDT-UHFFFAOYSA-N 314.801 4.577 30 20 DJED N#Cc1cc(Cl)ccc1SC[C@H]1CCC2(CCCC2)O1 1165755971 WXBICKPJGSUWDJ-CQSZACIVSA-N 307.846 4.796 30 20 DJED CC[C@@H]1CN(CCc2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 1167601580 DUMWLADVYSETOF-IRLDBZIGSA-N 318.464 4.616 30 20 DJED C=C(Br)CN(C1CCCC1)[C@@H](C)c1ccccc1 1170104083 CTTSDJNHUUCRCE-AWEZNQCLSA-N 308.263 4.901 30 20 DJED N#Cc1ccc(F)c(CN[C@H]2CCCC[C@@H](c3ccccc3)C2)c1 1179592909 KPMUOWDNHLOZKF-QUCCMNQESA-N 322.427 4.903 30 20 DJED CCOc1ccc(C#N)cc1N[C@@H]1CC[C@H](CCC(C)C)C1 1205347275 MBYYKMHYHMJKIZ-DOTOQJQBSA-N 300.446 4.974 30 20 DJED N#Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)c(Cl)c1 1266045408 WFFMWOWWCHPFLL-HZPDHXFCSA-N 324.811 4.734 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)CC(C)C)n1 1307283515 OZWXGFJXAYVYTF-JTQLQIEISA-N 302.365 4.807 30 20 DJED Cc1cc(CNc2ccc(Oc3ccccc3)c(C#N)c2)sn1 1308431401 ZIGCKSAKKBGFBZ-UHFFFAOYSA-N 321.405 4.728 30 20 DJED CCc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ccc(C#N)c(C)c2)o1 1308578546 PJYKDPWLNYKISZ-YWZLYKJASA-N 322.452 4.995 30 20 DJED Cc1c(Cl)cnc(NC[C@@H]2CCCCC(F)(F)C2)c1C#N 1458407279 LUOAWDAPRSNBRK-LLVKDONJSA-N 313.779 4.543 30 20 DJED C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)CC2(C#N)CCCCC2)C1 1459950840 KIOSFCGQOBHMLX-IEBWSBKVSA-N 324.468 4.850 30 20 DJED CC(C)(CC#N)CNC(=O)Nc1cccc(Oc2ccccc2)c1 1465413788 BXGZUEHRPYCFKQ-UHFFFAOYSA-N 323.396 4.540 30 20 DJED Cc1cc(C#N)ccc1CN1CCC(c2cccc(Cl)c2)CC1 1473420149 YHAZQWXXXWJKAP-UHFFFAOYSA-N 324.855 4.900 30 20 DJED CC(C)[C@H](C(=O)O[C@@H](C)c1cccc(C#N)c1)c1ccccc1 1525564798 QVDSCUPGVMALMQ-KXBFYZLASA-N 307.393 4.602 30 20 DJED Cc1cc(N[C@@H](C)CC(C)(C)C#N)cnc1N1CCCC[C@@H]1C 1560703505 HXXYBUYDNCEHPD-HOTGVXAUSA-N 314.477 4.509 30 20 DJED Cc1ccc(SCc2ccc(C#N)cc2Br)s1 1613865787 PMPBVWUKCAWFTG-UHFFFAOYSA-N 324.268 4.983 30 20 DJED Cc1cc(F)ccc1N(C/C=C\Cl)Cc1cccc(C#N)c1 1616019222 CTSZMDWSUDBWNH-BAQGIRSFSA-N 314.791 4.765 30 20 DJED CN(Cc1cccc(Cl)c1Cl)c1cccc(F)c1C#N 1655257740 HZCGSMZEZCPDGA-UHFFFAOYSA-N 309.171 4.641 30 20 DJED CC(C)(C)c1ccc(C#N)c(OCc2ccc(F)cc2Cl)n1 1656664092 QEZWBBQJZMWXQD-UHFFFAOYSA-N 318.779 4.622 30 20 DJED CCN(Cc1ccc(F)cc1C#N)c1ccc(Cl)c(F)c1 1658427043 XYOORYCLIOBOSU-UHFFFAOYSA-N 306.743 4.516 30 20 DJED Cc1cc(C)c(C(=O)/C=C\c2ccc(/C=C/C(=O)O)cc2)cc1C 1776133170 OXWLBXSRLFJRIF-PNQPDEHRSA-N 320.388 4.606 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(C)cc1Cl 58843211 LFTKGZROFCSZLC-UHFFFAOYSA-N 314.816 4.869 30 20 DJED Cc1ccc(C(=O)/C=C/c2cc(Br)cs2)s1 71794999 DSHIYLVDSKHBLL-ONEGZZNKSA-N 313.241 4.777 30 20 DJED CC[C@@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(F)cc1 158233485 UYLZXQIQSMQJBG-GOSISDBHSA-N 324.399 4.759 30 20 DJED CCCC[C@@H](NCc1cc(C#N)cs1)c1ccc(OC)cc1 177695962 CPRTYUVDJPLYOH-GOSISDBHSA-N 314.454 4.649 30 20 DJED C[C@@H](Nc1cccc(CC(F)(F)F)c1)c1cccc(C#N)c1 179974569 FQMKDLFRMGWSCT-GFCCVEGCSA-N 304.315 4.836 30 20 DJED C=C(C)[C@H](NCc1cccc2[nH]ccc12)c1ccc(F)c(F)c1 187369943 IODPCFZGNFQEHM-IBGZPJMESA-N 312.363 4.853 30 20 DJED COc1ccc2ccccc2c1CN[C@H](C)c1ccc(C#N)cc1 192940719 AOBCHQMTQPCLHV-OAHLLOKOSA-N 316.404 4.571 30 20 DJED CC[C@@H](NCc1ccc(O[C@H](C)C#N)cc1)c1ccc(C)cc1 237015161 MKMILJWIPCTOAD-OXQOHEQNSA-N 308.425 4.527 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(Br)cc1)C2 303247614 BAOBKYRENNZZMH-ZROIWOOFSA-N 313.194 4.580 30 20 DJED CC[C@H](C)CCC(=O)Nc1ccccc1S[C@H](C)CC#N 352689777 RMRQHNYAOUMXQN-UONOGXRCSA-N 304.459 4.846 30 20 DJED C[C@H](CCc1ccco1)N[C@H]1CCCCc2cc(C#N)ccc21 360821649 MJSAXXPDZYZFAR-QRWLVFNGSA-N 308.425 4.530 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)C(C)(C)C1CCC1 410458475 OSAFXGCBARHTGH-ZDUSSCGKSA-N 316.470 4.703 30 20 DJED N#CC1(CSCc2ccc(OCC(F)(F)F)cc2)CCC1 419391555 NFXIGICZWRQIJX-UHFFFAOYSA-N 315.360 4.555 30 20 DJED C=C[C@H]1CCCCN1C(=O)N[C@@H](C)c1oc2ccccc2c1C 426368000 ZURQETJGSPEYQZ-GJZGRUSLSA-N 312.413 4.552 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1cccc(F)c1Cl 463847782 ZCUUXXKOSYTNFK-UHFFFAOYSA-N 309.812 4.688 30 20 DJED N#C[C@@H](C(=O)c1cccc2ccsc12)c1nc2ccccc2o1 467827603 BEYHDLKMRGPZDG-ZDUSSCGKSA-N 318.357 4.533 30 20 DJED Cc1cccc(Cl)c1NC(=O)c1ccc(C(C)(C)C#N)cc1 476222188 RBJQXZFYGGKMPM-UHFFFAOYSA-N 312.800 4.702 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(C(F)(F)F)cc1 487424131 BGWAOKKEXMQSPU-ZDUSSCGKSA-N 318.342 4.770 30 20 DJED C=CCC(C)(C)C(=O)Nc1cnn(CCC(C)C)c1C(C)C 507001240 IJERWIQBTWDDQS-UHFFFAOYSA-N 305.466 4.593 30 20 DJED C=C(C)CN(CC)C(=O)[C@H](C)S[C@H](C)CCc1ccccc1 515783008 QCUBTNUQXOEIHK-SJORKVTESA-N 319.514 4.554 30 20 DJED N#Cc1ccc(Oc2ccc(NC(=O)C3CCCCC3)cc2)cc1 520556753 JNJRALFXBRJYKA-UHFFFAOYSA-N 320.392 4.869 30 20 DJED CC(C)c1ccc(CNCc2cccc(OCCCC#N)c2)cc1 520961249 GXSDLKVTCRWQNN-UHFFFAOYSA-N 322.452 4.782 30 20 DJED C=C[C@@H](CC(=O)N1CCC[C@H]1Cc1ccccc1)c1ccccc1 533888789 YLYKIKWJLKDIHG-FPOVZHCZSA-N 319.448 4.580 30 20 DJED Cc1ccccc1[C@@H](NCc1ccc(F)cc1C#N)C(C)(C)C 537155503 PPQKSLIILMUDJQ-LJQANCHMSA-N 310.416 4.883 30 20 DJED N#CCc1ccc(NC(=O)c2cccc(C3CCC3)c2)c(Cl)c1 560329592 ZIPPQGXLKMMDQL-UHFFFAOYSA-N 324.811 4.926 30 20 DJED C[C@@H](NCCc1cc2ccccc2s1)c1ccc(C#N)cc1 568872667 RWPNAGBDLRCFHT-CQSZACIVSA-N 306.434 4.666 30 20 DJED N#Cc1ccc2c(c1)[C@H](NC[C@@H]1CCC[C@H](C(F)(F)F)C1)CC2 589340487 FOIIOIWURLWXKB-UKPHBRMFSA-N 322.374 4.504 30 20 DJED N#Cc1ccccc1NC(=O)c1cc2c(Cl)cccc2s1 598544360 UMVXLVUHXYNFOT-UHFFFAOYSA-N 312.781 4.679 30 20 DJED C[C@@H](NCc1cccc(C#N)c1F)c1ccc(Cl)c(Cl)c1 611375721 NRRYGBSVNYKJMF-SNVBAGLBSA-N 323.198 4.855 30 20 DJED Cc1ncc([C@H](C)Nc2ccc(C(F)(F)F)c(C#N)c2)s1 618579308 NRSIEKIMVZLVCF-QMMMGPOBSA-N 311.332 4.515 30 20 DJED C=C(C)COc1cc(CN[C@H](C)c2ccsc2)ccc1OC 669830971 GKLIEAYMIUMUQC-CQSZACIVSA-N 317.454 4.562 30 20 DJED O=C(/C=C\c1ccc(O)c(Cl)c1)c1ccccc1OC(F)F 728694822 KQFMPPMEWYSPFT-ALCCZGGFSA-N 324.710 4.543 30 20 DJED CCCCCCCCC(=O)Nc1nn(-c2ccccc2)cc1C 730201377 KPSXIDOGXDAFSJ-UHFFFAOYSA-N 313.445 4.870 30 20 DJED Cc1cccc(NN=Cc2c(Cl)cccc2OC(F)F)c1 732923687 HPYHSNZCTQKVGR-UHFFFAOYSA-N 310.731 4.696 30 20 DJED Cc1nc(C)c(C=NN(c2ccccc2)c2ccccc2)s1 736428706 LAAOZMQCDWFUQT-UHFFFAOYSA-N 307.422 4.932 30 20 DJED O=C(/C=C\c1c(F)cccc1F)c1cccc(-c2ccncc2)c1 741471972 DDWIYROHXOBUNC-FPLPWBNLSA-N 321.326 4.923 30 20 DJED N#Cc1ccsc1C(=O)Nc1ccc(-c2ccccc2)cc1F 748053339 HAVUENGWGWXXQW-UHFFFAOYSA-N 322.364 4.678 30 20 DJED C[C@H](OC(=O)c1sccc1C#N)c1ccc2ccccc2c1 748096900 VUMQPUZGDICKFO-LBPRGKRZSA-N 307.374 4.691 30 20 DJED C#CCCNc1ccc(Oc2ncc(Cl)cc2Cl)cc1 760290531 QVNNMMQLEGOXGX-UHFFFAOYSA-N 307.180 4.616 30 20 DJED CC1(C)C[C@H](NN=C2CCC(C3CCCCC3)CC2)CCO1 766478982 VRIZIMNOWAGKSI-UHUGOGIASA-N 306.494 4.660 30 20 DJED Cc1cc(C(=O)/C=C\c2cccc(-c3cccnc3)c2)ccc1O 768489760 GQIJINVCFRCEIL-CLFYSBASSA-N 315.372 4.659 30 20 DJED CC(Cc1ccc(C(F)(F)F)cc1)=NOCCC(F)(F)F 777462700 HWRVVHTVSZITGR-UHFFFAOYSA-N 313.241 4.593 30 20 DJED C=CC[C@H](N[C@@H]1CC[C@@H](Cc2ccccc2)C1)c1ccncc1 783246419 RTQQPSOALDBANM-TYPHKJRUSA-N 306.453 4.700 30 20 DJED C=C[C@](C)(CC)C(=O)N(CC)Cc1ccc(C(F)(F)F)cc1 785498944 CKZXSULKSGLVRO-MRXNPFEDSA-N 313.363 4.656 30 20 DJED COc1c(C)cc(C(=O)/C=C\c2ccc(Cl)nc2)cc1Cl 794725190 VVMGGCRLMOCWAZ-HYXAFXHYSA-N 322.191 4.602 30 20 DJED N#Cc1sc(N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)nc1Cl 804680408 PTICNCFLWHTWLU-ZYHUDNBSSA-N 321.808 4.555 30 20 DJED C[C@@H]1/C(=C/c2cccc(OCCCC#N)c2)C(=O)c2ccccc21 809157620 UHFVKDSKYAOZAH-CPOQMQJTSA-N 317.388 4.753 30 20 DJED CCC(=NNc1cccc2cnccc12)c1ccc(F)cc1F 814836346 NRRPMAWUGARNIA-UHFFFAOYSA-N 311.335 4.739 30 20 DJED CC(C(=O)Nc1ccccc1S[C@@H](C)CC#N)=C1CCC1 825801582 PUORSIXCTFAREV-LBPRGKRZSA-N 300.427 4.520 30 20 DJED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 915086396 JSYAMWLCATZIPQ-QUCCMNQESA-N 316.404 4.637 30 20 DJED CC(=NNc1ccc(Cl)c(Cl)c1)c1ccc(C(=O)O)cc1 915934209 WDRPPMWLFZONGK-UHFFFAOYSA-N 323.179 4.528 30 20 DJED CCCOc1cccc(/C=C\C(=O)c2ccc(F)cc2F)c1 917142513 FYQOCHKTUWUNCB-TWGQIWQCSA-N 302.320 4.650 30 20 DJED N#Cc1ccc(F)c(CNC2CCC(C3CCCCC3)CC2)c1 1179593222 PBVGIGJKPHRFBA-UHFFFAOYSA-N 314.448 4.926 30 20 DJED Cc1cccc([C@H]2CCN(Cc3ccccc3C(C)(C)C#N)C2)c1 1193322041 APFAQAKDPDPDLT-IBGZPJMESA-N 318.464 4.786 30 20 DJED N#CCc1cccc(NCc2ccc(-c3ccncc3)cc2F)c1 1202435456 LNUJFEBYUSJGAT-UHFFFAOYSA-N 317.367 4.566 30 20 DJED CC[C@H]1CC[C@H](C)N1C(=O)Nc1scc(C(C)(C)C)c1C#N 1218513984 LGTDONXYXDFPRF-RYUDHWBXSA-N 319.474 4.712 30 20 DJED CC(C)COc1cccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c1 1265618794 YNJRQJYMVVEXTN-HNNXBMFYSA-N 323.392 4.511 30 20 DJED CC(C)(Cc1ccc(Cl)cc1)C(=O)O[C@H]1CCC[C@H](C#N)C1 1275463528 JIRGVVUUSRCGMX-HOCLYGCPSA-N 319.832 4.534 30 20 DJED N#Cc1c(CSc2ccc(Cl)c(F)c2)cn2ccccc12 1307365501 HWNHMQDVFWXDKR-UHFFFAOYSA-N 316.788 4.896 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCc2ccc(Cl)cc2C1 1307643884 ATQFCEZPHHIAIU-UHFFFAOYSA-N 324.855 4.699 30 20 DJED C[C@H](CCC#N)CN(Cc1ccc(F)cc1)C1CCCCC1 1308634598 MUSQRLADSJJOSE-MRXNPFEDSA-N 302.437 4.900 30 20 DJED N#Cc1ccc(CSCc2ccc(Cl)cn2)c(Cl)c1 1326556657 MRWHYEYBOPTORG-UHFFFAOYSA-N 309.221 4.693 30 20 DJED CC(C)C[C@H]1CCC[C@H](Nc2ccc(F)cc2OCC#N)C1 1462071659 MSNDZEWNGTVZBQ-ZBFHGGJFSA-N 304.409 4.745 30 20 DJED CN(C)c1cccc(CSc2ccc(C#N)cc2Cl)c1 1473005729 RWZFZEGGAATOFO-UHFFFAOYSA-N 302.830 4.570 30 20 DJED CCCN(C/C=C/c1cccc(F)c1)Cc1ccc(C#N)cc1 1474374576 WPBRSWMAHCACOS-GQCTYLIASA-N 308.400 4.623 30 20 DJED CCC[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)C1CCCC1 1562491770 PRKNFWHUPCWXHC-HNNXBMFYSA-N 319.836 4.692 30 20 DJED CCCC[C@H](CC)CC(=O)N(C)[C@H](C)c1cccc(C#N)c1 1598327367 LKQOIKRCTKGQNI-CVEARBPZSA-N 300.446 4.684 30 20 DJED N#Cc1cccc(Br)c1Oc1ccc(Cl)cc1 1611733875 ORWLUMSQKBTZPF-UHFFFAOYSA-N 308.562 4.766 30 20 DJED N#Cc1cnc(N[C@@H](c2ccccc2)C2CCCCC2)c(F)c1 1611798586 YKGVVTSMVNREGK-SFHVURJKSA-N 309.388 4.826 30 20 DJED CC(C)(CC#N)CSc1nc(-c2ccccc2)ccc1C#N 1613548464 OVJQPMVBMWYNNA-UHFFFAOYSA-N 307.422 4.652 30 20 DJED Cc1nsc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)c1C#N 1639475075 VNGOMLJJJSKYNJ-JBCWJZNQSA-N 317.845 4.786 30 20 DJED CCCC[C@H](CC)COC(=O)CSc1cccc(F)c1C#N 1642134465 KWCXNEYBIMMYLG-ZDUSSCGKSA-N 323.433 4.549 30 20 DJED N#Cc1ccc(CN(C/C=C/c2ccc(Cl)cc2)C2CC2)cc1 1645016242 XGXXAABIJXKLTG-OWOJBTEDSA-N 322.839 4.889 30 20 DJED CC(C)(NCCC1(C#N)CCCCC1)c1ccc(F)c(F)c1 1653940979 LFPNWSOFGLDCFC-UHFFFAOYSA-N 306.400 4.654 30 20 DJED Cc1ccc(C[C@@H](C)Nc2ncc(Cl)c(C)c2C#N)c(C)c1 1655131883 JEBPMNCZKWOZOE-CYBMUJFWSA-N 313.832 4.575 30 20 DJED Cc1ccc(CSc2cccc(C#N)c2)cc1Br 1656326363 GRTIQKKEMWQKES-UHFFFAOYSA-N 318.239 4.922 30 20 DJED CC[C@@H](CC#N)NC(=O)Nc1ccccc1-c1ccc(C)s1 1672374197 NTTQWGVBCAWQSQ-ZDUSSCGKSA-N 313.426 4.537 30 20 DJED Cc1c(NN=C2CCC[C@H](CC(C)C)C2)cccc1C(=O)O 1776088196 WIQUJVUOMLXCIH-CQSZACIVSA-N 302.418 4.697 30 20 DJED CCc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 14500540 WSSOFMSOSBEZSE-UHFFFAOYSA-N 324.449 4.703 30 20 DJED C[C@H](NCc1cccc(OCC#N)c1)c1ccc2ccccc2c1 113308738 JQXLQONIZQIQIP-INIZCTEOSA-N 316.404 4.593 30 20 DJED O=C(/C=C/c1nc(-c2ccccc2)cs1)c1ccccc1F 156584549 XYINOPPBAIKBMN-ZHACJKMWSA-N 309.365 4.845 30 20 DJED Cc1cc([C@@H](C)NCc2ccc(C#N)cc2Cl)c(C)s1 162661272 XBEQSIAVXPXLNY-LLVKDONJSA-N 304.846 4.741 30 20 DJED N#Cc1ccc(CN[C@@H](c2ccc(Cl)cc2)C2CCC2)s1 176964636 YEAKGAPIFOPMIZ-QGZVFWFLSA-N 316.857 4.904 30 20 DJED C=C[C@H](CC(=O)N[C@H](CCC#N)c1ccccc1)c1ccccc1 179497722 BRKMMTJHJPJUIO-YLJYHZDGSA-N 318.420 4.508 30 20 DJED COc1cccc(/C=C\C(=O)c2sc(C(C)(C)C)nc2C)c1 206970041 KOYHBNRSXLKQPO-KTKRTIGZSA-N 315.438 4.654 30 20 DJED CC(C)(C#N)CCCCOc1cc(Br)ccc1F 232518710 PFBOXZFAXKXJLQ-UHFFFAOYSA-N 314.198 4.687 30 20 DJED COc1cccc2cc([C@@H](C)N[C@H](C)c3ccc(C#N)cc3)oc12 266457737 LFNJZCXPYLBAJU-ZIAGYGMSSA-N 320.392 4.725 30 20 DJED Cc1cc(C#N)cc(NCc2ccc(C)c(Br)c2)c1 308123174 RJMIFIFBMZXPOK-UHFFFAOYSA-N 315.214 4.550 30 20 DJED Cc1ccc(CNc2ccc(C#N)cc2C(F)(F)F)cc1F 315664237 JPYJFNITYPSZMM-UHFFFAOYSA-N 308.278 4.637 30 20 DJED CC[C@@H]1C[C@H](/C(O)=N/C2CCC3(CCCCC3)CC2)CC(O)=N1 329962348 SBNGEZARWPHRTE-LSDHHAIUSA-N 320.477 4.981 30 20 DJED C[C@@H](CCC#N)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 411510437 YNHFHSUHEDOCHD-HOTGVXAUSA-N 303.409 4.568 30 20 DJED C=CCC(C)(C)C(=O)N[C@H](C)CCc1ccc(OC(C)C)cc1 429854967 ZJCGBJLGYBTLLO-MRXNPFEDSA-N 317.473 4.513 30 20 DJED C[C@@H](NCC1(CC#N)CC1)c1ccc(-c2ccc(F)cc2)s1 430744516 NYMDJTOJYRQUBB-CYBMUJFWSA-N 314.429 4.899 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1cc2sc(C)nc2cc1Cl 439399937 FJIOSZFZYGNDHX-JTQLQIEISA-N 323.849 4.734 30 20 DJED C[C@H](CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 441294318 GOJZWARMVRTSCY-CYBMUJFWSA-N 324.449 4.631 30 20 DJED Cc1ccc(CN[C@H]2CC[C@H](C#N)C2)c(Oc2ccccc2)c1 442796376 VMSQJEXLQRPRDL-WMZOPIPTSA-N 306.409 4.569 30 20 DJED C=C[C@@](C)(CC)c1nc(-c2ccc(Oc3ccccc3)nc2)no1 443098210 WZEMXUNIBJVRPE-IBGZPJMESA-N 321.380 4.778 30 20 DJED CCSc1ccc([C@@H](C)NC2CCC(C)(C#N)CC2)cc1 449124829 HNZJJHAQVBGFCT-MXWWQKGMSA-N 302.487 4.922 30 20 DJED CCCCn1c(SCc2ccc(F)c(C#N)c2)nc(C)c1C 468640884 JCHWRTJFYYMNJG-UHFFFAOYSA-N 317.433 4.603 30 20 DJED CCN(c1ccccc1)c1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 472126188 MNRTUUIIJBUDHI-RTBURBONSA-N 319.452 4.626 30 20 DJED CCCCN(CCCC)C(=O)C[C@@H](CC#N)c1ccccc1 474892364 IWWCVKWSNIWHQN-GOSISDBHSA-N 300.446 4.503 30 20 DJED CCCC(C#N)(CCC)NC(=O)c1oc2c(C)cccc2c1C 475738455 IOYXXDMQGIYWAN-UHFFFAOYSA-N 312.413 4.642 30 20 DJED C=CCCC1(C(=O)Nc2ccc(Oc3ccccn3)cc2)CC1 476071548 LKZCKGZRUPPCBM-UHFFFAOYSA-N 308.381 4.559 30 20 DJED N#Cc1ccc(CN[C@H]2CC=C(c3ccc(F)cc3)CC2)c(F)c1 478199053 CBYJYOYPPJFGQL-IBGZPJMESA-N 324.374 4.562 30 20 DJED COc1cc(C#N)cc(Cl)c1OCc1cccc(C(F)F)c1 478784629 ZUBVGGMMCWOCMJ-UHFFFAOYSA-N 323.726 4.737 30 20 DJED CC(C)(C#N)c1ccccc1COc1ccc2c(c1)C(=O)CCC2 478812606 KYKGQJYORPFLSJ-UHFFFAOYSA-N 319.404 4.586 30 20 DJED C=CCn1c(C)nnc1SCc1c(C)ccc2ccccc12 481476149 FEBIXMXDCRLHBQ-UHFFFAOYSA-N 309.438 4.526 30 20 DJED C[C@H](N[C@@H]1CC[C@H](c2ccccc2F)C1)c1cccc(C#N)c1 481719755 CYMGQXOBXFYMGH-JCGIZDLHSA-N 308.400 4.684 30 20 DJED C=CCCC[C@@H](C)NC(=O)Nc1cnn(C(CC)CC)c1CC 485142689 HCJCZNFJKLLESX-CQSZACIVSA-N 320.481 4.673 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1c(F)cccc1Cl 487813502 AGEHGMDYCIENTF-LBPRGKRZSA-N 302.780 4.544 30 20 DJED C=CCCC[C@H](C)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 494492937 IWMZPQMYKGIDJD-AFAVFJNCSA-N 311.828 4.644 30 20 DJED N#Cc1c(F)cccc1SCc1coc(-c2cccs2)n1 518674347 XQKFPVZKCOFZAJ-UHFFFAOYSA-N 316.382 4.706 30 20 DJED COc1ccc(CNc2ccccc2SC(C)C)cc1C#N 532617310 CNEQTMRBFRSPES-UHFFFAOYSA-N 312.438 4.679 30 20 DJED C=CC[C@@H](C)NC(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 534635075 GOLPHZRTXQCHTL-QAPCUYQASA-N 300.446 4.621 30 20 DJED C[C@H](N[C@@H]1c2cccc(F)c2CC[C@@H]1C)c1cccc(C#N)c1 539494203 BCNOJFJBFAYWRU-YRVVQQKDSA-N 308.400 4.672 30 20 DJED Cc1cccc(C)c1[C@H](C)NCc1cccc(OCCCC#N)c1 545465135 MXTZKLGREDTNKV-SFHVURJKSA-N 322.452 4.837 30 20 DJED C=CCCO[C@@H](C)c1nc(-c2ccc(O[C@H](C)CC)cc2)no1 547159003 AXFAEZXTWBZKFY-KGLIPLIRSA-N 316.401 4.568 30 20 DJED N#CC1(CSc2nnc(-c3cccc4ccccc34)o2)CCC1 563860758 PBMRTMBYNLEECI-UHFFFAOYSA-N 321.405 4.676 30 20 DJED Cc1oc(-c2ccccc2)nc1CSCc1ccccc1C#N 603440797 XSPUZADEQXIOQE-UHFFFAOYSA-N 320.417 4.955 30 20 DJED CCCCC1CCC(C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 610363961 JZHITMKYELRQMR-HJOIGYKYSA-N 312.457 4.732 30 20 DJED Cc1cc(OCc2cccc(Cl)c2)ccc1N[C@H](C)C#N 728067115 YCDGSGITHDTDKM-CYBMUJFWSA-N 300.789 4.551 30 20 DJED CCCOc1cccc(/C=C2/CCOc3ccccc3C2=O)c1 728441560 LZBVMJIYPIOHAV-SSZFMOIBSA-N 308.377 4.524 30 20 DJED Cc1ccc(-c2nc(/C=C3\Oc4ccccc4C3=O)cs2)cc1 742438172 ZLNLLWWNXIQKOI-YVLHZVERSA-N 319.385 4.735 30 20 DJED CC(C)(C)c1nc(C#N)c(NN=Cc2csc3ccccc23)o1 746497733 BYMNDOXDBVKWAH-UHFFFAOYSA-N 324.409 4.504 30 20 DJED C=CCCCC(=O)Oc1cccc(C(=O)Nc2ccc(C)cc2)c1 748674944 RQUYKXQEKVEAPH-UHFFFAOYSA-N 323.392 4.509 30 20 DJED Cc1cc(C(=O)O[C@@H](C#N)C(C)C)sc1-c1ccc(F)cc1 751160238 BAYSXTQLLOEKGK-AWEZNQCLSA-N 317.385 4.568 30 20 DJED CC(=NNc1ncnc2sccc12)c1cc2ccc(C)cc2o1 754917723 LCULCANIYRBEOG-UHFFFAOYSA-N 322.393 4.582 30 20 DJED N#C[C@@H]1CCC[C@@H](Nc2ccc(OCc3ccccc3F)cc2)C1 765941252 JRGTVEBJRTUQPU-CRAIPNDOSA-N 324.399 4.899 30 20 DJED Clc1cccc(CNN=Cc2cccc(-c3cccnc3)c2)c1 768485224 MYUKFLXMMUHICI-UHFFFAOYSA-N 321.811 4.526 30 20 DJED Clc1ccccc1NN=Cc1cnc(-c2ccco2)s1 782113341 LGTINYAIQMINSA-UHFFFAOYSA-N 303.774 4.503 30 20 DJED C=C(C)CN(Cc1ccccc1)Cc1ccc(O[C@H](C)C#N)cc1 793223063 BNQZJSFJJYOEEI-GOSISDBHSA-N 320.436 4.556 30 20 DJED N#C[C@@H]1CC[C@@H](Nc2ccc(N3CCCCCCC3)c(F)c2)C1 799723563 MISQTNCESAIUCE-HZPDHXFCSA-N 315.436 4.700 30 20 DJED C=C(C)C(C)(C)C(=O)N1CCC(c2ccnc3ccccc23)CC1 854758061 ZVEGATQQWPHNGT-UHFFFAOYSA-N 322.452 4.543 30 20 DJED CC[C@@H](OC(=O)c1cccc(C#N)n1)c1ccc(C(C)(C)C)cc1 1127594359 KPCAMSAMCDNGDK-GOSISDBHSA-N 322.408 4.559 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 1128564679 DFYPJAHINNIBSE-YLJYHZDGSA-N 324.468 4.658 30 20 DJED N#Cc1cccc(N[C@@H](CCc2ccccc2)c2ccccc2)n1 1162200041 BPURTSGARAVAMI-FQEVSTJZSA-N 313.404 4.739 30 20 DJED Cc1nc(N(C)Cc2ccccc2-c2ccccc2)ccc1C#N 1185159606 VSNGHGPMQTWZFC-UHFFFAOYSA-N 313.404 4.565 30 20 DJED CC(C)COc1ccccc1[C@H](CC(C)C)NCC1(C#N)CC1 1192617254 RKBHJUHJQVAKNQ-SFHVURJKSA-N 314.473 4.702 30 20 DJED N#Cc1ccc(SCc2ncoc2C2CC2)cc1C(F)(F)F 1254453163 DIXMLZYENGNDLU-UHFFFAOYSA-N 324.327 4.735 30 20 DJED CC1(C)CCc2ccccc2[C@@H](NC(=O)C2(C#N)CCCCC2)C1 1270109473 TYSQQTLXHSSQIE-SFHVURJKSA-N 324.468 4.680 30 20 DJED C#CC[C@H](N[C@H]1C[C@H](C)c2c(C)ccc(O)c21)c1ccccc1 1321037302 KCESDEVOPJCNRZ-SZMVWBNQSA-N 305.421 4.603 30 20 DJED CC[C@H](C)[C@H](c1ccccc1)c1nnc(-c2cccc(C#N)c2)o1 1322342847 KBYYVWNEOQLHOM-KBXCAEBGSA-N 317.392 4.786 30 20 DJED CCC(C#N)(CC)C(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 1435443589 NRFUJKILOIWVOI-KGLIPLIRSA-N 320.864 4.620 30 20 DJED CC[C@@H](C)c1ccc([C@@H](Nc2cncc(C#N)n2)C(C)C)cc1 1472644769 PLBBBLGDFLICAP-KUHUBIRLSA-N 308.429 4.671 30 20 DJED Cc1ccc(CNc2ccc(C#N)cn2)c(Oc2ccccc2)c1 1472724285 YOPYWIMBLZDDLH-UHFFFAOYSA-N 315.376 4.666 30 20 DJED Cc1c(C#N)c(SCc2sccc2Cl)nc2c1CCC2 1472951715 IOAHSPWYGOOGRS-UHFFFAOYSA-N 320.870 4.758 30 20 DJED N#Cc1ccc(Oc2cccc(NC(=O)CCCC3CC3)c2)cc1 1521142649 SVRHVWINAVJXAF-UHFFFAOYSA-N 320.392 4.869 30 20 DJED CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCCC2 1530061570 CKZJOWUTJDAXJK-RDTXWAMCSA-N 316.470 4.509 30 20 DJED CC(C)(C)Oc1ccc(NC(=O)[C@@H]2CCCC2(C)C)cc1C#N 1533755037 OGGCKVUROMTPHR-HNNXBMFYSA-N 314.429 4.500 30 20 DJED Cc1ccc2nc(SCc3ccc(Cl)cc3C#N)[nH]c2c1 1613257436 MCSQXZHSYNCRNL-UHFFFAOYSA-N 313.813 4.689 30 20 DJED CC(C)(CCNc1c(C#N)cnc2c(Cl)cccc12)C1CC1 1639957399 ZHLWQTQBBFSBBR-UHFFFAOYSA-N 313.832 4.998 30 20 DJED Cc1ccc(-n2ccnc2SCc2ccccc2C#N)cc1C 1643534590 VQCHULQVTAPZLB-UHFFFAOYSA-N 319.433 4.653 30 20 DJED C[C@H]1C[C@@H](CCNc2ncc(C#N)cc2Cl)CC(C)(C)C1 1655434263 LRMPLPLMDYNXPO-QWHCGFSZSA-N 305.853 4.871 30 20 DJED Cc1nc(NCC(C)(C)CC#N)c2c(CC(C)C)csc2n1 1655553789 SMHQESZNWXRWHA-UHFFFAOYSA-N 316.474 4.550 30 20 DJED CC(C)(C)[C@H]1CCC[C@@H](NCc2cccc(OCC#N)c2)CC1 1657211252 XOCWISCPMLPGCD-ZWKOTPCHSA-N 314.473 4.674 30 20 DJED C[C@@H]1CCCC[C@H]1CNc1ccc(Oc2ccnc(C#N)c2)cc1 1657466106 RJNQSDZYFBWCQY-CVEARBPZSA-N 321.424 4.984 30 20 DJED CCOC(=O)Nc1ccc(N[C@@H](CC)C[C@@H](C)CC)cc1C#N 1657733665 GRJQLIRKFPLQBM-ZFWWWQNUSA-N 317.433 4.753 30 20 DJED CC[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cccc(F)c1C#N 1659074381 GHOXKDCZPURDCY-GHTZIAJQSA-N 322.427 4.856 30 20 DJED Cc1cc(CN2CCC[C@H]2c2ccc(F)cc2C)ccc1C#N 1659447649 FRRGFFCYNDBBPR-FQEVSTJZSA-N 308.400 4.651 30 20 DJED C=CCN(Cc1cc(Cl)cc(C(=O)O)c1)CC1CCCCC1 1776179753 WYUQHGKXPHYUHY-UHFFFAOYSA-N 321.848 4.607 30 20 DJED N#Cc1ccc(F)c(CSc2ccccc2Br)c1 37375164 OYIZPGPCQZZQGU-UHFFFAOYSA-N 322.202 4.752 30 20 DJED C=CCN(Cc1cccc(C#N)c1)Cc1ccc(F)cc1Cl 63300800 YTYBAVVPKYZTON-UHFFFAOYSA-N 314.791 4.539 30 20 DJED CC(C)c1nc2cc(N[C@@H](C)c3ccc(C#N)cc3)ccc2o1 97393829 NAWIJICDWONNSL-ZDUSSCGKSA-N 305.381 4.996 30 20 DJED N#C[C@@H](C(=O)CC1CCC(c2ccccc2)CC1)c1ccccn1 108624488 ZZHBKZYPCUTCMB-NKELODKYSA-N 318.420 4.622 30 20 DJED N#Cc1ccc(N2CCC[C@H]2c2cccs2)cc1C(F)(F)F 111221390 QTGWAHBGWKADQO-AWEZNQCLSA-N 322.355 4.980 30 20 DJED C[C@H]1C[C@@H]1c1ccc(CN(CC(C)(C)CCC#N)C2CC2)o1 129864865 BYEVSUUGIJJOHL-YOEHRIQHSA-N 300.446 4.697 30 20 DJED C[C@@H](C#N)Oc1ccccc1NCc1ccc(-c2ccccc2)o1 181127907 ZCBOFPONVDNWBN-HNNXBMFYSA-N 318.376 4.850 30 20 DJED COc1ccc([C@@H](N[C@H](C)c2cccc(C#N)c2)C(C)C)cc1 181420151 XTVZXTROAKJHQT-QRWLVFNGSA-N 308.425 4.615 30 20 DJED C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1nc(-c2ccccc2)cs1 185817794 NVALAVZKTPXKLY-YCPHGPKFSA-N 311.454 4.543 30 20 DJED Cc1ccc(CNc2ccccc2O[C@H](C)C#N)cc1Cl 195449705 YGFUTXJWJLJNFR-CYBMUJFWSA-N 300.789 4.551 30 20 DJED COc1cccc2cc([C@@H](C)N[C@@H](C)c3ccc(C#N)cc3)oc12 266457728 LFNJZCXPYLBAJU-UONOGXRCSA-N 320.392 4.725 30 20 DJED C[C@H](NCc1ccccc1C(C)(C)C#N)c1c(F)cccc1F 271634053 BSMQPFJSPHNMDT-ZDUSSCGKSA-N 314.379 4.617 30 20 DJED CC(C)(C)c1cc(C#N)c(NC(=O)c2ccccc2Cl)s1 297614797 AXYLSTXSTOTTSO-UHFFFAOYSA-N 318.829 4.823 30 20 DJED N#Cc1cc(F)c(N[C@H]2CCSc3c(F)cccc32)c(F)c1 301118467 PMPAXIHACOPKAJ-AWEZNQCLSA-N 320.339 4.625 30 20 DJED C=CCCSc1nc2ccccc2c(=O)n1C1CCCCC1 303821917 PLBLLJJVCBOJMQ-UHFFFAOYSA-N 314.454 4.570 30 20 DJED CCC1(C/N=C(/O)c2ccc3c(c2)N=C(O)C3(C)C)CCCC1 328958092 ZWYWAFNSAWNBAA-UHFFFAOYSA-N 314.429 4.841 30 20 DJED OC(=Nc1cccc(OC2CCCC2)c1)[C@H]1CCc2cccnc21 329327672 UQNSPGLRVKKPKA-SFHVURJKSA-N 322.408 4.721 30 20 DJED Cc1noc(C)c1N=C(O)c1cc(C(C)C)cc(C(C)C)c1O 330493165 RZXUJWLIYQGHMI-UHFFFAOYSA-N 316.401 4.880 30 20 DJED CC1(C)[C@H](C(F)(F)F)CCN1CCC1(C#N)CCCCC1 411621278 QRXQVHAKAFAAOF-CYBMUJFWSA-N 302.384 4.513 30 20 DJED C=CCC[C@@H](C(=O)Nc1cccc(Cl)c1O)c1ccccc1 427634526 UKTAUZUBKRNVBN-CQSZACIVSA-N 315.800 4.734 30 20 DJED N#Cc1c(F)cccc1CSCc1cc(-c2ccccc2)on1 427835074 VBRPZOUJFTUBRF-UHFFFAOYSA-N 324.380 4.786 30 20 DJED Cc1ccccc1[C@H](CC(F)(F)F)N[C@H]1CCC[C@@H](C#N)C1 446849719 PWTGCOZYCSZQQD-YCPHGPKFSA-N 310.363 4.661 30 20 DJED N#Cc1ccccc1Oc1nc2cc(C(F)(F)F)ccc2s1 462930659 SBMRJZBVJIHQOI-UHFFFAOYSA-N 320.295 4.979 30 20 DJED COCCCC[C@@H](Nc1ccc(C#N)cc1F)c1ccccc1 480576959 HTTHSBXBWHUYQH-GOSISDBHSA-N 312.388 4.667 30 20 DJED C[C@H](C#N)CSc1ccccc1NCCCc1ccccc1 484759715 YQDGUQHKRFKPLB-MRXNPFEDSA-N 310.466 4.983 30 20 DJED CCCCc1nc(CSCc2ccc(F)cc2C#N)cs1 488542822 XWIPEINKYMJBDN-UHFFFAOYSA-N 320.458 4.930 30 20 DJED N#CC1(CN2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)CC1 501528174 ONOKTCCVCNNIJC-IBGZPJMESA-N 322.839 4.743 30 20 DJED Cc1ccc(C)c2c(C)c(C(=O)N[C@H](C#N)C3CCCCC3)oc12 506531975 OCNSILXMYSEAHV-MRXNPFEDSA-N 324.424 4.560 30 20 DJED CCN(Cc1cccc(O)c1Cl)[C@@H](C)c1ccc(C#N)cc1 507331979 GXBZFEYHVWEISV-ZDUSSCGKSA-N 314.816 4.500 30 20 DJED CC[C@H](CC#N)N[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 514741917 VXBFXHNYUINQEV-PMPSAXMXSA-N 310.363 4.623 30 20 DJED C=CC1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 517658706 PSEODERKJJFNDE-GJZGRUSLSA-N 324.251 4.522 30 20 DJED CCN(C(=O)[C@@H]1CCC(C)=C(C)C1)[C@@H](C)c1ccc(C#N)cc1 521437706 BUHFLNFTFNPPHK-QFBILLFUSA-N 310.441 4.604 30 20 DJED CCC(C#N)(CC)C(=O)N1Cc2ccccc2-c2ccccc2C1 528358035 VSHYSNZWCAJXPE-UHFFFAOYSA-N 318.420 4.526 30 20 DJED CSc1cc(C)ccc1CN[C@H](C)c1ccc(C#N)c(F)c1 540708464 WQMZIVXRZCLCEK-CYBMUJFWSA-N 314.429 4.579 30 20 DJED Cc1cc(NCc2ccc(CC#N)cc2)ccc1C(F)(F)F 541293309 LXZQGCMPWMLWMX-UHFFFAOYSA-N 304.315 4.692 30 20 DJED C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1cc2cccc(F)c2o1 567315731 AHFJWHOFJNWSSY-XIKOKIGWSA-N 320.367 4.782 30 20 DJED N#CCCCCCC(=O)Nc1cccc(CCC(F)(F)F)c1 588160828 RHKQKLYLLHXCJJ-UHFFFAOYSA-N 312.335 4.594 30 20 DJED C[C@H](C#N)CSc1ccccc1N[C@H](C)c1cccc(C#N)c1 600847547 VDRNUWNOQNJVCW-HUUCEWRRSA-N 321.449 4.983 30 20 DJED Cc1cccc(OC(F)F)c1N[C@@H](C)c1cccc(C#N)c1 600848902 INFKZEBDVRZSRH-LBPRGKRZSA-N 302.324 4.641 30 20 DJED CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(C)cc1 726426499 ZYTPLHWZBMCIAL-UHFFFAOYSA-N 317.314 4.722 30 20 DJED CCC(=NNc1ccc(F)cn1)c1ccc(Cl)cc1Cl 731319533 QYOFFBJUERFSHE-UHFFFAOYSA-N 312.175 4.754 30 20 DJED O=C(/C=C\c1cnc2ccccn12)c1cc(Cl)ccc1Cl 740764457 WCDIHLNNXXIFJJ-ALCCZGGFSA-N 317.175 4.537 30 20 DJED O=C1/C(=C/c2cccc(OC(F)F)c2)Cc2c(Cl)cccc21 747061717 MTZSNWYGEILIML-YRNVUSSQSA-N 320.722 4.764 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)[C@H]2CC[C@H](C(C)C)CC2)n1 753558051 NFOVCIHLXRWSSK-KKUMJFAQSA-N 318.486 4.905 30 20 DJED CC(=NNc1ccc(Cl)c(Cl)c1)c1ccc(C#N)s1 762446489 IHVFCUKHAOPQAI-UHFFFAOYSA-N 310.209 4.763 30 20 DJED O=C(/C=C/c1cccnc1Cl)c1cc2c(s1)CCCC2 764433353 PMMPRRMQWYKYLN-BQYQJAHWSA-N 303.814 4.571 30 20 DJED Cc1ccoc1C(=O)/C=C\c1ccc(OC(F)F)c(Cl)c1 769783346 CNDNXIBIDAQHPH-RQOWECAXSA-N 312.699 4.739 30 20 DJED O=C1/C(=C/c2cscc2Cl)CCOc2ccc(F)cc21 771856241 HCUWDSJRKXETEA-WEVVVXLNSA-N 308.761 4.589 30 20 DJED Cc1cc(/C=C\C(=O)c2ccc(F)cc2F)cc2cccnc12 783699379 HLKXWIVJHHOHEF-DAXSKMNVSA-N 309.315 4.718 30 20 DJED CC(C)(C#N)CC(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1 784771783 SPADRYVXQKODAO-UHFFFAOYSA-N 314.335 4.510 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=S)N[C@H]1CCCC[C@@H]1C 794995563 OWWSIZPBTKASJP-WMZOPIPTSA-N 316.514 4.518 30 20 DJED CCCCOc1ccc(/C=C\C(=O)c2ccc(C)o2)cc1OC 797189906 XNBCAERGEQWKEO-CLFYSBASSA-N 314.381 4.672 30 20 DJED O=C1/C(=C/c2scnc2C2CC2)Cc2cc(F)c(Cl)cc21 863194256 FZYBSYQQVLIUPD-BJMVGYQFSA-N 319.788 4.635 30 20 DJED C#Cc1cccc(NC(=S)N(C)C[C@@H](C)C2CCCCC2)c1 863234099 QRCCAXAJGFIEBT-OAHLLOKOSA-N 314.498 4.513 30 20 DJED Cc1ccc2c(c1)C/C(=C/c1ccc(N3CCCCC3)cc1)C2=O 921264520 VKEZPMAWMDCBOO-RGEXLXHISA-N 317.432 4.808 30 20 DJED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCC[C@H]2CCC(C)C)c1 1310872335 LUDZOJPQGOJQBW-FUHWJXTLSA-N 313.445 4.593 30 20 DJED CCC[C@H](Nc1ccc(OCC#N)cc1)c1ccc(OC)cc1 1319974804 UWGUVYRAQIXCKJ-IBGZPJMESA-N 310.397 4.551 30 20 DJED C=C(C)CCC(=O)N1CCc2sccc2[C@@H]1c1cccs1 1335545842 KXZRVEIVMQPDJL-QGZVFWFLSA-N 317.479 4.640 30 20 DJED CCC[C@H]1CCc2ccccc2N1C(=O)CC1(C#N)CCCCC1 1435529223 BUBCGAFLGVFGLD-SFHVURJKSA-N 324.468 4.999 30 20 DJED CC[C@@H]1CCCC[C@H]1C(=O)N(c1cccc(C#N)c1)C1CCC1 1528693738 PRZMEKCEEBYARZ-VQIMIIECSA-N 310.441 4.660 30 20 DJED CC(C)(C)C[C@@H]1C[C@H]1C(=O)N(c1cccc(C#N)c1)C1CCC1 1532439258 KXNJYDHTCAYVIR-MAUKXSAKSA-N 310.441 4.516 30 20 DJED C[C@@H]1C[C@H](OC(=O)c2ccc(C(C)(C)C#N)cc2)CC(C)(C)C1 1534161037 ZYGFKVVWMMTZEQ-PBHICJAKSA-N 313.441 4.859 30 20 DJED Cc1ccccc1SC[C@@H](C)CN(CCC#N)CCC(C)C 1559578660 PAXVNFRMZRKBNX-KRWDZBQOSA-N 318.530 4.985 30 20 DJED C[C@H](CCC1CCCCC1)Nc1ccc(F)cc1OCC#N 1560743280 KJKFVGAGBYXXRM-CQSZACIVSA-N 304.409 4.889 30 20 DJED CC[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1Cl 1587542754 FBQVHMYTPUVMLU-LBPRGKRZSA-N 314.772 4.621 30 20 DJED C[C@H]1[C@H](C)CCC[C@H]1CNc1c(Br)cccc1C#N 1612321867 KTUDXJGEOKYSSB-DYEKYZERSA-N 321.262 4.805 30 20 DJED CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)N(C)CC(C)(C)C#N 1637445592 MPXFOPWUIKJFOD-LFDOHDQPSA-N 318.505 4.627 30 20 DJED CCC[C@H]1[C@@H](C)CCCN1Cc1cc(Cl)ccc1OCC#N 1642115488 HSZXWMCLKNHZJG-YOEHRIQHSA-N 320.864 4.643 30 20 DJED CC(C)C[C@H]1CCCCN1Cc1cc(Cl)ccc1OCC#N 1642159276 JISQRIJMVMUTEZ-QGZVFWFLSA-N 320.864 4.643 30 20 DJED CCCC[C@@H](NCCc1ccc(C#N)cc1)c1ccc(OC)cc1 1645029041 ZTKAAGWLRVAJKS-OAQYLSRUSA-N 322.452 4.630 30 20 DJED Cc1ccccc1C1(CNc2ccc(C#N)cn2)CCCCC1 1650713671 YAHUTFJFONEEMJ-UHFFFAOYSA-N 305.425 4.576 30 20 DJED N#Cc1c(Cl)nsc1NC1(Cc2cccc(Cl)c2)CC1 1651067106 IMLJWOUVIUFVFC-UHFFFAOYSA-N 324.236 4.509 30 20 DJED CC(C)(C)C[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1 1666934479 KDLBHPNQOUMZON-SFHVURJKSA-N 321.424 4.857 30 20 DJED CC(=NNc1ccc(Cl)c(C(=O)O)c1)C1C(C)(C)C1(C)C 1776033717 WLHNJSYVXTYBJH-UHFFFAOYSA-N 308.809 4.508 30 20 DJED Cc1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1 25720417 OXNQWDBHGNSSGA-UHFFFAOYSA-N 312.372 4.786 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cc1F 71923724 VWASSAVXGOEAEU-KRXBUXKQSA-N 324.273 4.749 30 20 DJED Cc1[nH]c2ccccc2c1C1=CCN(CC(C)(C)CCC#N)CC1 128649742 JRHUXSJFKWACRN-UHFFFAOYSA-N 321.468 4.895 30 20 DJED Cc1cc2cc([C@@H](C)NCc3cccc(C#N)c3)oc2cc1C 151373198 QJVONMCLHNVVTG-OAHLLOKOSA-N 304.393 4.772 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2csc3ccccc23)cc1 171028838 SHWQYNLUMIDDAS-UHFFFAOYSA-N 320.417 4.770 30 20 DJED CCCCCCCC(=O)Nc1cccc(-c2nnc(CC)o2)c1 175357033 JFLJAOQFTZYLCQ-UHFFFAOYSA-N 315.417 4.598 30 20 DJED Cc1ccccc1NC(=O)CCS[C@H](C)c1cccc(C#N)c1 190898859 OKMHMYXBAIFMEZ-OAHLLOKOSA-N 324.449 4.690 30 20 DJED Cc1c([C@@H](C)N[C@H](CCC#N)c2ccccc2)cnn1C(C)(C)C 191388500 HNCIEXNRYGYMEN-DNVCBOLYSA-N 324.472 4.642 30 20 DJED Cc1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c(C)n1C(C)C 193307596 CUPUCWHGSZIYBG-UHFFFAOYSA-N 323.440 4.739 30 20 DJED CC[C@@H](Nc1cccc(OCCCC#N)c1)c1ccccc1O 193905923 KKXJRZMQLUEBRW-GOSISDBHSA-N 310.397 4.638 30 20 DJED COc1cccc(/C=C\C(=O)c2oc3ccccc3c2C)c1OC 205512083 HPJKEKKBUARSNE-QXMHVHEDSA-N 322.360 4.655 30 20 DJED 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C=C(C)CN(CC)C(=O)Nc1c(CC)ccc(Cl)c1CC 517898221 VKUUUKOSLAYILD-UHFFFAOYSA-N 308.853 4.895 30 20 DJED C[C@H]1CCC[C@@](C#N)(NC(=O)C2CCC(c3ccccc3)CC2)C1 525710658 KCWKMBVHXLGRQH-XDTATTDVSA-N 324.468 4.549 30 20 DJED C=CCC[C@H](CC)NCC1(c2ccc(Cl)cc2)CCOCC1 539092339 VZOQXAFURJQASI-SFHVURJKSA-N 321.892 4.723 30 20 DJED C=CCCC[C@@H](C)NC(=O)Nc1ccc(-c2ccccn2)cc1 555010052 HZYGHYMRBNGOOG-OAHLLOKOSA-N 309.413 4.615 30 20 DJED C=CCC[C@H](N[C@H]1CCO[C@@H](C(CC)CC)C1)c1ccco1 560550019 SUUQPFHXQBCMRL-JENIJYKNSA-N 305.462 4.860 30 20 DJED C[C@H](CC(=O)N[C@](C)(C#N)C1CCCCC1)C1CCCCC1 568861462 JSYRJXJFGISREX-DNVCBOLYSA-N 304.478 4.572 30 20 DJED CCCC1CCC(N(C)C(=O)c2ccc(Cl)c(C#N)c2)CC1 582641083 JAKNPQVPBFYJSR-UHFFFAOYSA-N 318.848 4.643 30 20 DJED N#CCC1(CSCc2coc(-c3cccc(Cl)c3)n2)CC1 596332970 UIYLGTIAFWVGNZ-UHFFFAOYSA-N 318.829 4.922 30 20 DJED CCSc1ccc(Cl)cc1NCc1ccccc1C#N 609221136 YYJAYFMHEGQRQV-UHFFFAOYSA-N 302.830 4.936 30 20 DJED C=CCCC[C@H](C)NC(=O)[C@H](C)c1ccccc1C(F)(F)F 678881777 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20 DJED Cc1nsc(SC2CCC(C(F)(F)F)CC2)c1C#N 450876873 SQYUOPVYOMSHAC-UHFFFAOYSA-N 306.378 4.536 30 20 DJED CCCC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(OC)cc1 463280639 FEXQGEMZOZUAEP-SUMDDJOVSA-N 300.446 4.598 30 20 DJED C=CCCCCCN(C)C(=O)[C@H](C)CCc1ccccc1F 464058086 PXFRMQDMFBVMME-MRXNPFEDSA-N 305.437 4.599 30 20 DJED CC#CCCCC(=O)N(CC)C(c1ccccc1)c1ccccc1 464440192 GRMJKTYRIUPWGM-UHFFFAOYSA-N 319.448 4.818 30 20 DJED C[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CCCCC1 465995452 QEITYAGYJAILNM-AWEZNQCLSA-N 313.445 4.578 30 20 DJED N#CCCCOc1cccc(N[C@H]2CCC[C@@H]2CCCF)c1 510737623 SGBYLBWUQWCAOU-QAPCUYQASA-N 304.409 4.699 30 20 DJED CCC(CC)CN(CCC#N)Cc1ccc(F)c2cccnc12 513736929 PDBPKFYDZYEPOH-UHFFFAOYSA-N 313.420 4.526 30 20 DJED CCN(C(=O)c1cc(C#N)ccc1Cl)c1ccccc1Cl 515905806 PVWNGKXRFPHGJW-UHFFFAOYSA-N 319.191 4.532 30 20 DJED Cc1nc(S[C@@H](C#N)C2CCCCC2)n(CC(C)C)c1C 522331855 IBJJSPNNZWOXPB-INIZCTEOSA-N 305.491 4.721 30 20 DJED CCCC(C#N)(CCC)NC(=O)c1ccc(-c2cccs2)o1 543093709 PDQDYZVBXWCRTA-UHFFFAOYSA-N 316.426 4.600 30 20 DJED CC(C)(CCC#N)CN[C@H]1CCc2c(Cl)cc(Cl)cc21 562042531 CEYNYFCUXXWPJH-HNNXBMFYSA-N 311.256 4.900 30 20 DJED Cc1cccc(Oc2ccc(NC[C@H](O)CC(C)(C)C#N)cc2)c1 598726263 RFTKLNJENYEROR-QGZVFWFLSA-N 324.424 4.500 30 20 DJED C=CC[C@@H](C)NC(=O)C1(Cc2cccc(Cl)c2)CCCC1 607653125 QBBKXUVZEIJJSE-CQSZACIVSA-N 305.849 4.524 30 20 DJED N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC=CCC3)cc2)c1 609427344 FEJGGTHYLZJFIN-INIZCTEOSA-N 318.376 4.645 30 20 DJED CCCCCCCCOC(=O)c1csc(-c2ccccn2)n1 726641243 MEADCBHJKWJDLF-UHFFFAOYSA-N 318.442 4.722 30 20 DJED CCCCCCCSc1nnc(Cc2ccccc2F)o1 727690554 HXTAKXYMYWMFMM-UHFFFAOYSA-N 308.422 4.862 30 20 DJED CC(=NNc1ncnc2sc(C)c(C)c12)c1sccc1C 733744967 AEPMAIPYDCMNBS-UHFFFAOYSA-N 316.455 4.514 30 20 DJED Cc1cccc(/C=C/C(=O)c2c(Cl)nc3ccccn23)c1C 737448263 FOFOJGJVSQSUCN-MDZDMXLPSA-N 310.784 4.501 30 20 DJED CCCCC[C@H](C)CC(=O)Nc1cc(C#N)ccc1OC(F)F 742629009 BRFQOUFJDLDPFE-LBPRGKRZSA-N 324.371 4.705 30 20 DJED C#Cc1cccc(NC(=O)N(CC)[C@H](CC)c2ccccc2)c1 746660759 UTILRJCVEVYXCY-LJQANCHMSA-N 306.409 4.673 30 20 DJED CC(/C=C1/COc2c(F)cc(F)cc2C1=O)=C\c1ccccc1 750914336 WDUZKWNAUVVNNW-SDGJLLIDSA-N 312.315 4.570 30 20 DJED C=CCN(C(=O)c1cc2cccc(Cl)c2o1)c1ccccc1 753196611 VQZOHTQANWSMMN-UHFFFAOYSA-N 311.768 4.919 30 20 DJED C=CCN(C(=O)Nc1ccc(CCC(F)(F)F)cc1)C(C)C 753548037 VEDITTRXVCIDQS-UHFFFAOYSA-N 314.351 4.610 30 20 DJED O=C(/C=C\c1nc2ccc(F)cc2s1)c1cccc(F)c1F 761481783 XGXTUIZYLPPNLO-SREVYHEPSA-N 319.307 4.610 30 20 DJED Cc1ncccc1/C=C1/CCc2c(sc3ccccc23)C1=O 763101523 PJRLJWLZPYYCJY-KAMYIIQDSA-N 305.402 4.817 30 20 DJED CC(C)[C@@H](C(=O)OCCC(C)(C)C#N)c1cccc(Cl)c1 776393454 GIVXSJJOIZITTC-OAHLLOKOSA-N 307.821 4.563 30 20 DJED C#CCCCCCC(=O)Nc1cc(-c2ccncc2)ccc1C 779899435 LCFADNIQLKSGJL-UHFFFAOYSA-N 306.409 4.579 30 20 DJED Cc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc2cccnc12 783699112 FUFBOTRFPKFOBN-QPJJXVBHSA-N 309.315 4.718 30 20 DJED C#Cc1cccc(NC(=S)Nc2ccc(CC)c(Cl)c2)c1 795143490 UFRFPEHRHBOLGE-UHFFFAOYSA-N 314.841 4.693 30 20 DJED C#CCCCCC(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 801098916 PBWWSYAXAIAGJD-UHFFFAOYSA-N 318.829 4.596 30 20 DJED CCc1ccc(C(=O)/C=C\c2cscc2C(F)(F)F)o1 811691594 OGNJCFHBPBRDNQ-HYXAFXHYSA-N 300.301 4.818 30 20 DJED C=C1CC(c2noc([C@H](C)CC(=O)c3ccc(Cl)cc3)n2)C1 896883483 JJSGADCHGFDGCY-LLVKDONJSA-N 316.788 4.533 30 20 DJED C=C(C)C(C)(C)c1nc(-c2cccnc2Oc2ccccc2)no1 904454893 XDVVVJKMQDTFLH-UHFFFAOYSA-N 321.380 4.778 30 20 DJED N#Cc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cs1 1124381331 MQZUUKBSVJUKLG-UHFFFAOYSA-N 320.373 4.664 30 20 DJED C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1C(=O)CC1(C#N)CCCCC1 1126089729 FLFBMXROCFQRBQ-ZIFCJYIRSA-N 324.468 4.644 30 20 DJED C=Cc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 1129476946 CRDATKUMCDVIBT-UHFFFAOYSA-N 310.422 4.813 30 20 DJED CC[C@@H](c1ccccc1)N(Cc1cc(C#N)ccn1)CC(C)C 1167867011 DIWJBPXFCVGEFL-FQEVSTJZSA-N 307.441 4.563 30 20 DJED C[C@@H](CC(C)(C)C#N)NCCn1c2ccccc2c2ccccc21 1204936832 BBKWMHPHCQTRNN-INIZCTEOSA-N 319.452 4.712 30 20 DJED N#Cc1ccc(NC(=O)CCCc2ccc3ccccc3c2)cc1 1264212831 XPPGVZOJPMWKFS-UHFFFAOYSA-N 314.388 4.673 30 20 DJED CCc1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)cc1CC 1545081978 IANAVOPYQCWHNM-HXUWFJFHSA-N 320.436 4.586 30 20 DJED COc1ccc(Cl)cc1CSc1cccc(F)c1C#N 1559418316 AFBWNBFQUVNWQL-UHFFFAOYSA-N 307.777 4.652 30 20 DJED N#Cc1c(F)cccc1Sc1nc2cccc(F)c2s1 1642863555 ZNBFSVLMDWTFRA-UHFFFAOYSA-N 304.346 4.597 30 20 DJED CC(C)(C)OCc1cccc(Nc2snc(Cl)c2C#N)c1 1643256137 IUKLEXXYFPWBAL-UHFFFAOYSA-N 321.833 4.727 30 20 DJED CC(C)(C)c1ccc(C#N)c(N[C@@H](Cc2ccccc2)C2CC2)n1 1651523065 WBKQYIDWJMVOAH-SFHVURJKSA-N 319.452 4.684 30 20 DJED COc1ccc(Cl)c(CSc2ccc(C#N)c(C)c2)c1 1652058599 NXYRFBWASAKQQZ-UHFFFAOYSA-N 303.814 4.821 30 20 DJED C[C@@H](CN[C@@H]1CCCc2cc(C#N)ccc21)c1cccc(Cl)c1 1652684482 LDADUNLAXLCRPU-VBKZILBWSA-N 324.855 4.982 30 20 DJED N#Cc1ccccc1OCc1ccc(Cl)c(Br)c1 1656089805 QMSYTIDNOXUYID-UHFFFAOYSA-N 322.589 4.553 30 20 DJED Cc1ccc(COc2ccc(Br)c(C#N)c2)cc1C 1656930575 PYBJGUQWVDCJPA-UHFFFAOYSA-N 316.198 4.517 30 20 DJED Cc1cccc([C@@H]2CCCN2Cc2cccc(F)c2C#N)c1C 1657218704 ADTHZBDRQJDXPU-FQEVSTJZSA-N 308.400 4.651 30 20 DJED N#Cc1ccc(CN2C[C@@H]3CCCC[C@]32c2ccccc2)c(F)c1 1657372599 IMQAZGXTDMBZEC-FPOVZHCZSA-N 320.411 4.599 30 20 DJED CCCCN(CCCC)C(=O)Nc1cc(C#N)cn1C(C)(C)C 1660796215 AZCCFQVBBUFYDT-UHFFFAOYSA-N 318.465 4.549 30 20 DJED Cc1cc(C(C)(C)C)cc(C)c1C[S@](=O)CCCCC#N 78702125 QBBFZEMGEYTFAP-NRFANRHFSA-N 305.487 4.544 30 20 DJED C[C@@H](SCc1csc(C2CC2)n1)c1ccc(C#N)cc1 135257547 TZBIXVQRXRLBJA-LLVKDONJSA-N 300.452 4.887 30 20 DJED O=C(/C=C/c1cccnc1Cl)c1ccc(C(F)(F)F)cc1 171351006 DKRKQOFWGGGKQD-VMPITWQZSA-N 311.690 4.650 30 20 DJED N#C[C@@H](C(=O)CCC1CCC1)c1nc(-c2ccccc2)cs1 175117340 XVZDTBSVDWNUEL-HNNXBMFYSA-N 310.422 4.567 30 20 DJED N#Cc1ccc(CN[C@H](Cc2ccccc2)c2cccs2)s1 176971455 XQFTWZKRGSVHOD-QGZVFWFLSA-N 324.474 4.755 30 20 DJED CC[C@@H](NCc1ccc(C#N)cc1F)c1ccc(Cl)s1 177861109 ZAGOGYDIZPZSCZ-CYBMUJFWSA-N 308.809 4.653 30 20 DJED N#CCC[C@@H](NCc1ccccc1C(F)(F)F)c1ccccc1 181938553 OKADIZXFJRAOGV-QGZVFWFLSA-N 318.342 4.840 30 20 DJED C[C@H](NCc1ccc(F)c(C#N)c1)c1cc(Cl)ccc1Cl 186780054 NAXLILATSCGTFG-JTQLQIEISA-N 323.198 4.855 30 20 DJED CCCCCOc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 236776437 QEWHSMYRPISWSJ-KRWDZBQOSA-N 322.452 4.978 30 20 DJED C=CCOc1ccc(CN[C@@H](CC)c2ccc(F)cc2F)cc1 236943682 MFGJRAOOERVMNK-IBGZPJMESA-N 317.379 4.771 30 20 DJED Cc1ccc(-c2nc(C)c(C(=O)/C=C\c3cccnc3)s2)cc1 254968739 YMMGJUMILDTVDE-YFHOEESVSA-N 320.417 4.718 30 20 DJED CCC(CC)c1cc(CNc2ccc(C#N)c(Cl)c2)on1 301424771 DENQKBGVKOJSSU-UHFFFAOYSA-N 303.793 4.715 30 20 DJED CC(C)(CC(=O)N(CCC#N)Cc1ccco1)C1CCCCC1 355462767 XVLDERRLQQOJIE-UHFFFAOYSA-N 316.445 4.518 30 20 DJED CCO[C@@H](C)c1nc(CSc2ccc(C#N)cc2F)cs1 358061106 VCZWCIDMFGNOLH-JTQLQIEISA-N 322.430 4.544 30 20 DJED C[C@H](Cc1ccc(Cl)cc1)N[C@H](CCC#N)c1ccccc1 359307261 UILHDBDPRAJIOA-DNVCBOLYSA-N 312.844 4.906 30 20 DJED C=C1CCN(C(=O)c2ccc(O[C@@H](C)c3ccccc3)cc2)CC1 409532952 YKQVXTCRPSWKSB-KRWDZBQOSA-N 321.420 4.619 30 20 DJED C=CCOc1cccc(NC(=O)N2CCC[C@H](C)[C@H]2CCC)c1 437840389 JNBMMPNFCFPQCA-MAUKXSAKSA-N 316.445 4.684 30 20 DJED CC1(C#N)CCC(N[C@H]2CCSc3ccc(Cl)cc32)CC1 449067489 LTVDPBASJPQIMI-GULBITTBSA-N 320.889 4.939 30 20 DJED N#Cc1c(Cl)cccc1N[C@H]1CCO[C@@H](c2ccccc2)C1 450447483 VZMZGEOGQCTLQN-KBXCAEBGSA-N 312.800 4.544 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1ccc(-c2csc(C)n2)cc1 467859137 OZRLCWMMRWKEGL-QGZVFWFLSA-N 300.427 4.659 30 20 DJED CCCC[C@H](CCC)NC(=O)C[C@@H](CC#N)c1ccccc1 476243832 FFHVSHFVFUWKCO-MSOLQXFVSA-N 300.446 4.549 30 20 DJED CCOc1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cc1 481918943 HFZJTZDPJJYAKB-NRFANRHFSA-N 320.436 4.514 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@@H]2NC1(c2cccc(F)c2)CC1 481996787 CFPDXWVKNYVWFR-FQEVSTJZSA-N 320.411 4.744 30 20 DJED CCC[C@@H](NCc1ccc(C#N)c(C)c1)c1ccc(F)cc1F 488146724 ICNNDBPQNATGNA-LJQANCHMSA-N 314.379 4.776 30 20 DJED C=C(C)[C@H](N[C@@H](C)Cc1ccc(O)cc1)c1ccc(F)c(F)c1 512652299 LKIPLUJXLMAFKF-DJJJIMSYSA-N 317.379 4.508 30 20 DJED C[C@H](NCCCCCOC1CCCCC1)c1ccc(C#N)cc1 538393539 NTGGACZUDYHVMY-KRWDZBQOSA-N 314.473 4.728 30 20 DJED N#Cc1c(F)cccc1SCc1cccc(Br)c1 556728624 BTDOLMNBTKHJOT-UHFFFAOYSA-N 322.202 4.752 30 20 DJED C[C@H](NC[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(C#N)cc1 610503672 IAYMASNXDRRKDB-RCBQFDQVSA-N 310.363 4.578 30 20 DJED C=CCOc1ccc(/C=C\C(=O)c2cccc(C#N)c2)cc1Cl 727267134 OHSMTGQWDGNLBK-VURMDHGXSA-N 323.779 4.673 30 20 DJED CCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(C)C 729035949 KLLAHSHIXAKRKX-LJQANCHMSA-N 321.424 4.604 30 20 DJED COc1ccc2oc(C(=O)/C=C/c3cccc(C#N)c3)c(C)c2c1 729148830 BKIKLLBJIQQDSD-SOFGYWHQSA-N 317.344 4.518 30 20 DJED C=CC[C@H](C)NC(=S)Nc1c(Cl)ccc(C)c1Cl 734988087 VZSMJWAOMABMQL-VIFPVBQESA-N 303.258 4.553 30 20 DJED COc1ccc(C)cc1C(=O)/C=C/c1cc2cccc(OC)c2o1 747167915 JONDDNOHLWIUDG-CMDGGOBGSA-N 322.360 4.655 30 20 DJED CCSc1ccc(C(=O)/C=C\c2cccc(OCC#N)c2)cc1 755607338 YCHZLTMOWOUHRV-WDZFZDKYSA-N 323.417 4.597 30 20 DJED CC(=NNc1cc(C)ccc1F)c1sc(C(C)C)nc1C 759652387 IHROIBQJWPVYPW-UHFFFAOYSA-N 305.422 4.859 30 20 DJED C#Cc1cccc(N(C(=O)c2ccc(Cl)c(F)c2)C(C)C)c1 765810135 WDKNMEZUANVRNV-UHFFFAOYSA-N 315.775 4.516 30 20 DJED CC(=NNc1c(Cl)cc(F)cc1Cl)c1cnccc1C 771557646 IVJSKPSTKLPPSW-UHFFFAOYSA-N 312.175 4.672 30 20 DJED C#CCCCCC(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1 773233750 YEOFRPHZNNRFON-GFCCVEGCSA-N 312.240 4.706 30 20 DJED CCOc1cccc(C=Nc2cccc(-c3ncco3)c2C)c1O 793653218 FSKOUNSSZRAHNK-UHFFFAOYSA-N 322.364 4.505 30 20 DJED C=CCC[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccco1 796695447 OPFVIHRWEOODBJ-LJQANCHMSA-N 310.441 4.677 30 20 DJED Cc1nn(C)c2sc(C(=O)/C=C\c3ccc(Cl)s3)cc12 806579163 XZPOMGFUSVRYDR-HYXAFXHYSA-N 322.842 4.554 30 20 DJED CC1(C)C(=NNc2nccnc2C2CCC2)C[C@H]1c1ccccc1 807992400 DDKRHZAOIVYYFP-INIZCTEOSA-N 320.440 4.726 30 20 DJED C=CCC(F)(F)C(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 815099789 MGKASGZAORXXQV-LBPRGKRZSA-N 307.340 4.554 30 20 DJED CCC(C)(C)OCc1cccc(NC(=O)C#CC(C)(C)C)c1C 837454188 FGARIJHHHUIFJC-UHFFFAOYSA-N 315.457 4.688 30 20 DJED N#C[C@@H](C(=O)CC1CCCCCC1)c1nc(C2CC2)cs1 842941982 VHFRGMRDLCISIV-AWEZNQCLSA-N 302.443 4.557 30 20 DJED FC(F)(F)c1ccccc1C=NOCc1ccc(Cl)cc1 852181492 JMOLUWHZXDCZTE-UHFFFAOYSA-N 313.706 4.910 30 20 DJED Oc1ccccc1C=Nc1ccccc1COCc1ccccc1 915981488 CYBABPNSCAXXGB-UHFFFAOYSA-N 317.388 4.860 30 20 DJED Cc1ccc(-c2n[nH]cc2/C=C2/Cc3cc(C)ccc3C2=O)cc1 921263241 AHFCSNMNAOPXMI-BOPFTXTBSA-N 314.388 4.516 30 20 DJED C=C(Cl)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 1168614103 STVDURJPDPQBLV-KRWDZBQOSA-N 306.236 4.966 30 20 DJED C=CCC[C@@H](NCc1cc(C)[nH]n1)c1ccc(C(F)(F)F)cc1 1324926061 AZRMGNVVLHMPNA-MRXNPFEDSA-N 323.362 4.534 30 20 DJED Cc1nc(C(C)C)sc1[C@H](C)Nc1ccc(OCC#N)cc1 1324966354 QTOYCWCXDJHSHZ-LBPRGKRZSA-N 315.442 4.650 30 20 DJED CCc1ccc(-c2nnc([C@H](C)Cc3ccc(C#N)cc3)o2)cc1 1329296283 CULWCXTXVJGGLG-CQSZACIVSA-N 317.392 4.517 30 20 DJED C[C@H](N[C@H](C)CC#N)c1ncc(-c2ccc(Cl)c(Cl)c2)o1 1331776658 XTTFVZMOXSIXIP-ZJUUUORDSA-N 324.211 4.601 30 20 DJED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)[C@H](C)c1ccc(Cl)cc1 1462205501 YPLSKKFZEGMILH-PJSUUKDQSA-N 324.855 4.981 30 20 DJED N#Cc1ccccc1-c1ccc(CN2CCC[C@@H]2C2CCC2)cc1 1473145236 QILIWVOOYUQLBR-JOCHJYFZSA-N 316.448 4.990 30 20 DJED N#Cc1ccccc1-c1ccc(CN2C[C@H]3CCC[C@@H](C3)C2)cc1 1473461937 CGQSAHYOHRQDBT-OALUTQOASA-N 316.448 4.847 30 20 DJED CC(C)C[C@@H](C(=O)OCc1ccc(CC#N)cc1)c1ccccc1 1520148468 KGLZUCWRKBTHKD-HXUWFJFHSA-N 321.420 4.626 30 20 DJED CCC1(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)CCC1 1527032810 UEESDHOGEMNKPN-NWDGAFQWSA-N 316.470 4.824 30 20 DJED CC(C)COc1cccc(NC(=O)CC2(C#N)CCCCC2)c1 1534297734 ONSUEBNEIZMZDL-UHFFFAOYSA-N 314.429 4.524 30 20 DJED Cc1c(Br)cccc1CSc1cccc(C#N)c1 1559378678 LFNPKPDRYKTOPT-UHFFFAOYSA-N 318.239 4.922 30 20 DJED N#Cc1ccc(C2CCN(CCC3(C#N)CCCCC3)CC2)cc1 1560183030 UUFNWGAGACAKLP-UHFFFAOYSA-N 321.468 4.602 30 20 DJED CC(C)(C)C[C@H]1CCN(c2c(Br)cccc2C#N)C1 1612497281 FPDAUKMRQQNZKZ-GFCCVEGCSA-N 321.262 4.583 30 20 DJED N#Cc1ccc(CCSc2ncc(-c3ccc(F)cc3)o2)cc1 1640823937 OCGVCWKYLCBHFV-UHFFFAOYSA-N 324.380 4.687 30 20 DJED N#Cc1c(F)cccc1N1C[C@H](c2ccccc2)c2ccccc21 1642645641 NZBLYBVNGLWLHX-GOSISDBHSA-N 314.363 4.981 30 20 DJED COc1cc(C#N)ccc1CN1CCC[C@H]1c1c(C)cccc1C 1647728162 KWJBEJFFYSXHNL-IBGZPJMESA-N 320.436 4.521 30 20 DJED CN(Cc1cc2ccccc2o1)c1nc(C(C)(C)C)ccc1C#N 1650826014 FSKLBYLJAVLAOI-UHFFFAOYSA-N 319.408 4.633 30 20 DJED CC[C@H](Cc1ccccc1)N(C)c1nc(C(C)(C)C)ccc1C#N 1651571980 BFIGYVCQYKJGFD-GOSISDBHSA-N 321.468 4.708 30 20 DJED CCN(Cc1ccc(Cl)cc1C#N)c1ccc2[nH]ccc2c1 1653318737 LDYSAUIBAILTLO-UHFFFAOYSA-N 309.800 4.719 30 20 DJED Cc1cc(C(F)(F)F)ccc1CNc1cccc(CC#N)c1 1662474478 WTFSXNIHUQKHEF-UHFFFAOYSA-N 304.315 4.692 30 20 DJED Cc1cc(CN2CC[C@](C)(CCc3ccccc3)C2)ccc1C#N 1663767657 MKGQHZBTDANSCN-QFIPXVFZSA-N 318.464 4.712 30 20 DJED CCCC[C@@H]1CCCC1=NNc1ccc(Cl)c(C(=O)O)c1 1776033399 AMCMXNYTYYUFRN-LLVKDONJSA-N 308.809 4.796 30 20 DJED C=CCn1c(SCc2cccc3ccccc23)nnc1C1CC1 14065400 RMWDUGATUGCHQN-UHFFFAOYSA-N 321.449 4.787 30 20 DJED C[C@@H](Nc1ccc(F)c(Cl)c1)c1ccc(OCC#N)cc1 37244226 NJPFAJQZGQDLRC-LLVKDONJSA-N 304.752 4.555 30 20 DJED Cc1ccc2oc(C(=O)Nc3sc(C)c(C)c3C#N)cc2c1 58032998 YKJZESVXFGXVAF-UHFFFAOYSA-N 310.378 4.544 30 20 DJED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cc(F)cc(F)c1 90665754 YVJVGVJNIGJQGD-ACJLOTCBSA-N 300.352 4.660 30 20 DJED C[C@@H](C#N)CSc1ccccc1N[C@@H](C#N)C1CCCCC1 115606243 DGOLDPGAWFQULW-YOEHRIQHSA-N 313.470 4.823 30 20 DJED C=C(C)COc1cccc(NC(=O)c2ccccc2SC)c1 171285890 HLLFCBAQMZGUPX-UHFFFAOYSA-N 313.422 4.616 30 20 DJED N#Cc1ccc(CSCc2nnc(-c3ccccc3)s2)cc1 193517851 YQJUHKJNSSKNMY-UHFFFAOYSA-N 323.446 4.510 30 20 DJED O=C(/C=C\c1ccc(OCC(F)(F)F)cc1)c1ccccc1 214131370 AJLGUTBACVVMAY-FLIBITNWSA-N 306.283 4.524 30 20 DJED C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2cc3ccccc3o2)cc1 254949771 JLARRFZAXIMQJN-MSKHEQNASA-N 317.344 4.620 30 20 DJED C=CCC[C@@H](NCc1ncc(CSC)s1)c1ccccc1 293248637 LWGLYMIRYCLOHF-MRXNPFEDSA-N 318.511 4.803 30 20 DJED Cc1ccccc1[C@@H]1C[C@@H](C)N([C@H](C)c2ccc(C#N)cc2)C1 303753257 MILMOJRTRQJEAH-MBOZVWFJSA-N 304.437 4.806 30 20 DJED C[C@H](/N=C(/O)CCc1nc2ccccc2o1)[C@H]1C[C@H]2CC[C@H]1C2 328911446 GJLFFCCTXXHFMV-ZQDZILKHSA-N 312.413 4.542 30 20 DJED Cc1c([C@H](C)/N=C(/O)C[C@@H]2CCC(=O)[C@@H]2C)oc2ccccc12 330035904 XTMUSTNBKVQNDR-XBFCOCLRSA-N 313.397 4.764 30 20 DJED COc1ccc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c(C)c1 417372310 VTTZWZGDXKXBFV-QVKFZJNVSA-N 320.436 4.604 30 20 DJED C=C[C@@H]1CCCCN1C(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 428039560 RWOPUQCJYRPLAR-SNVBAGLBSA-N 323.223 4.655 30 20 DJED N#Cc1cc(NCc2nc(C3CCCCC3)cs2)ccc1F 435885685 MYQSOMDBZGGSMA-UHFFFAOYSA-N 315.417 4.814 30 20 DJED CSc1ccccc1[C@H](C)NCc1ccc(Cl)cc1C#N 440617179 FDPNHUAVGGCJRB-LBPRGKRZSA-N 316.857 4.784 30 20 DJED N#C[C@@H]1CC[C@@H](NCC2(c3ccc(Cl)cc3Cl)CCC2)C1 442846150 OATASHQDORMYJN-TZMCWYRMSA-N 323.267 4.697 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1c(C)cccc1OC 470152273 QDWMFARFHWCVID-UHFFFAOYSA-N 324.424 4.614 30 20 DJED C=CC[C@H]1N(C(=O)CCCc2cccs2)CCCC1(C)C 470280102 XHILAYFHPQDTJU-MRXNPFEDSA-N 305.487 4.664 30 20 DJED CCC[C@H](CC)S[C@H](C)C(=O)N(CCC#N)c1ccccc1 477074416 RZZHUDDOBRALRH-WBVHZDCISA-N 318.486 4.634 30 20 DJED Cc1cc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)ccc1C1CC1 481917948 POCOSLIGFQMWMF-CQSZACIVSA-N 319.408 4.627 30 20 DJED C=C(C)[C@H](NC(=O)N(CC)[C@@H](C)C(C)C)c1ccc(F)c(F)c1 483288630 HVHIAMLTPRHQPS-GUYCJALGSA-N 324.415 4.658 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1cc(Cl)ccc1SC 488342256 AXVQKPQWQVENCX-GFCCVEGCSA-N 310.850 4.634 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(SC)c(Cl)c1 488901716 UDEVXDFSVQRUHM-GFCCVEGCSA-N 310.850 4.634 30 20 DJED Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)Nc1ccc(C#N)cc1 489616604 ADPSNIZOOHKPNS-LJQANCHMSA-N 321.424 4.728 30 20 DJED Cc1cc(C)c(C#N)c(NCc2ccccc2OC2CCCC2)n1 515553886 NMCZPCHZUPWRBO-UHFFFAOYSA-N 321.424 4.504 30 20 DJED CCN(C(=O)C(C1CCC1)C1CCC1)[C@H](C)c1ccc(C#N)cc1 521304085 RPDHPZYKOUKXRX-OAHLLOKOSA-N 324.468 4.684 30 20 DJED C=CCC1(C(=O)N2CC(C)(C)[C@H]2c2ccncc2)CCCCC1 521440001 PWKTWUPFFSXIAK-QGZVFWFLSA-N 312.457 4.518 30 20 DJED C[C@H](N[C@@H]1c2ccccc2CC[C@H]1C)c1ccc(C#N)c(F)c1 540918336 ZHLZCRTXFGWCNL-CKNLXJGOSA-N 308.400 4.672 30 20 DJED N#CCC1CCN(c2nc(-c3ccccc3Cl)cs2)CC1 543205691 FRNMWNROPFBAFW-UHFFFAOYSA-N 317.845 4.594 30 20 DJED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(-c2cccc(C#N)c2)cc1 549544956 RUYZSPHXEZZCAV-HZUJVAHNSA-N 315.420 4.568 30 20 DJED N#C[C@H](N[C@H]1CCSc2ccc(Cl)cc21)C1CCCCC1 570001268 VDSWEMDIISCTDW-HOTGVXAUSA-N 320.889 4.939 30 20 DJED Cc1ccc(-c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)cc1 574556881 AMQNWHARIMGRAZ-UHFFFAOYSA-N 303.365 4.513 30 20 DJED CCCN(C(=O)c1cc(C)cs1)c1cc(Cl)ccc1C#N 598810257 MNYAEXAEZVOYJK-UHFFFAOYSA-N 318.829 4.638 30 20 DJED C=CC1CCN(C(=O)C(C)(C)c2ccc3ccccc3c2)CC1 607827968 DRXSCMRBBLFUFP-UHFFFAOYSA-N 307.437 4.542 30 20 DJED CC(C)(C)c1ccc(C#N)c(N[C@@H](CCC#N)c2ccccc2)n1 613427857 PRHGFUNIQPLLRH-KRWDZBQOSA-N 318.424 4.708 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2NCc1c(Cl)oc2ccccc12 618741341 FECYEIUMGBZFBZ-KRWDZBQOSA-N 322.795 4.735 30 20 DJED CCCC(Cc1ccccc1)=NNc1ncnc2sccc12 727254524 WGVBJGHPNKQZJU-UHFFFAOYSA-N 310.426 4.502 30 20 DJED O=C1/C(=C/c2cnc(-c3ccccc3)s2)Oc2ccc(F)cc21 727267239 QRGNUIUANFSZGD-SXGWCWSVSA-N 323.348 4.565 30 20 DJED CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Cl 727651521 COHJILLBKJDFMK-UHFFFAOYSA-N 324.167 4.738 30 20 DJED CC(C)(C)CN(Cc1ccccc1)Cc1ccc(OCC#N)cc1 731212756 FANVYBJFITVBCS-UHFFFAOYSA-N 322.452 4.637 30 20 DJED C=CCN(CC1CCCCC1)C(=S)N[C@@H](C)c1ccccc1 732624906 GGKZQSFOMQUYMD-INIZCTEOSA-N 316.514 4.690 30 20 DJED Cc1ccccc1[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)C1CC1 732820249 FXEPIPXYZMAAFQ-KKSFZXQISA-N 320.436 4.527 30 20 DJED O=C(/C=C\c1cccc(Cl)c1)c1c(Cl)nc2sccn12 741849058 ROXKKWQEQTXGOF-PLNGDYQASA-N 323.204 4.599 30 20 DJED COc1ccccc1C=NOCc1cc(Cl)ccc1Cl 742351891 RDNMWCFISQPTSJ-UHFFFAOYSA-N 310.180 4.553 30 20 DJED CCCCCCCC(=O)N[C@@H](C)c1nc2ccccc2n1CC 743729441 GIFPHUCIWJBYAU-HNNXBMFYSA-N 315.461 4.594 30 20 DJED CC(=NNCc1ccc(-c2ccccc2)cc1)c1scnc1C 748086189 ZIARFHSXEVODRN-UHFFFAOYSA-N 321.449 4.632 30 20 DJED CCC(CC)c1cc(CNc2nc3ccccc3cc2C#N)on1 750030270 XLQNAHLYBHADOE-UHFFFAOYSA-N 320.396 4.610 30 20 DJED O=C(/C=C/c1ccc(-c2cccc(F)c2)s1)c1cccnc1 750901538 UBDNNUMSAIZIJL-SOFGYWHQSA-N 309.365 4.845 30 20 DJED C=CCC(CC=C)C(=O)OCc1cnc(-c2ccccc2)s1 758524763 TZTUYRIQCYEUAG-UHFFFAOYSA-N 313.422 4.622 30 20 DJED CCCOc1ccc(/C=C/C(=O)c2cccc(F)c2F)cc1 776268448 ONGSPAAKHUEYPW-DHZHZOJOSA-N 302.320 4.650 30 20 DJED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccccc1C(C)(C)C 780177700 QQBRLDYBAFDOOA-CQSZACIVSA-N 322.408 4.527 30 20 DJED CC(=NNc1ccccc1Cl)c1ccc(C#N)cc1Cl 788409196 UDXZFSJSFUDSOU-UHFFFAOYSA-N 304.180 4.701 30 20 DJED CCOc1ccc(C(=O)/C=C\c2ccnc(Cl)c2Cl)cc1 791435517 UVKMIYLMKOQBTR-YVMONPNESA-N 322.191 4.683 30 20 DJED Cc1cccc([C@@H](C)OC(=O)C[C@H](CC#N)c2ccccc2)c1 795982821 SUEJCIHJADAWCJ-APWZRJJASA-N 307.393 4.687 30 20 DJED O=C(/C=C\c1ccc(SC(F)(F)F)cc1)c1cccnc1 796977192 TZOXQJRQISFGQQ-YVMONPNESA-N 309.312 4.590 30 20 DJED CC(/C=C\C(=O)c1ccncc1)=C\c1ccccc1C(F)(F)F 799889229 OCVNCCFYSBRDQR-NQFDUOLLSA-N 317.310 4.943 30 20 DJED CCCCCCCCCC(=O)N1CC2(CCOCC2)[C@@H]1C1CC1 818781715 KTLQHBDQFWHQLE-IBGZPJMESA-N 321.505 4.545 30 20 DJED CC1(C)CCCC[C@@H]1CC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842940348 BVOIWTTWHKHAGS-KGLIPLIRSA-N 316.470 4.803 30 20 DJED Cc1ccc(C(=O)/C=C\C(=O)Nc2ccc3ccccc3c2)cc1 899913192 CBTXTODZJZSJID-SEYXRHQNSA-N 315.372 4.526 30 20 DJED Oc1cccc(C=Nc2ccc(Oc3ccccc3)cc2)c1O 916657261 BLOHAXJBGJELRD-UHFFFAOYSA-N 305.333 4.641 30 20 DJED CC(CCc1cccc(C)c1)=NNc1ccc(C(F)(F)F)cn1 920363107 RGBCRDDPIUKASW-UHFFFAOYSA-N 321.346 4.829 30 20 DJED CCCN(c1ccnc(C#N)c1)[C@H](C)c1cc2ccccc2o1 1162259214 YZRMINSFGDGLRO-CQSZACIVSA-N 305.381 4.677 30 20 DJED N#Cc1ccc(CCN2CCC[C@@H]2c2cccc(Cl)c2)cc1 1208929496 QHPZOCYNZRIRGE-LJQANCHMSA-N 310.828 4.591 30 20 DJED Cc1ccccc1[C@H](NC(=O)c1ccc(F)c(C#N)c1)C(C)(C)C 1265760280 UHMRZIVGRDYCBP-SFHVURJKSA-N 324.399 4.523 30 20 DJED C[C@H](c1cccc(C(F)(F)F)c1)N(C)c1cccc(F)c1C#N 1306947234 QDIPNJCOLUVQGO-LLVKDONJSA-N 322.305 4.914 30 20 DJED COc1ccc(C#N)cc1NCc1ccc(-c2ccc(C)cc2)o1 1308430407 JKJYXVUEXHHAFI-UHFFFAOYSA-N 318.376 4.747 30 20 DJED Cc1ccc(NC(=O)c2ccc(F)c(C#N)c2)c(Cl)c1Cl 1325725947 MUFSPPIYLISDMV-UHFFFAOYSA-N 323.154 4.565 30 20 DJED Cc1ccccc1C=NOCc1ncc(-c2ccccc2C)o1 1340235996 FRHLUEKSHAMFPN-UHFFFAOYSA-N 306.365 4.509 30 20 DJED C[C@H](OC(=O)[C@@H](C)c1ccc(Cl)cc1)c1ccc(C#N)cc1 1361168508 ILJNWGSVBUKPAJ-STQMWFEESA-N 313.784 4.620 30 20 DJED CCCC[C@@H](C)C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 1435263594 CLEGCYRKXGPTML-CQSZACIVSA-N 323.396 4.510 30 20 DJED CC(C)CC(CC(C)C)C(=O)OCc1ccc(CC#N)cc1 1435687217 PWNJOQXOKUMKJO-UHFFFAOYSA-N 301.430 4.504 30 20 DJED CCN(Cc1ccc(CC#N)cc1)c1cccc(C(F)(F)F)c1 1460277894 POZPJJUKKYMLCR-UHFFFAOYSA-N 318.342 4.798 30 20 DJED N#CC1(c2ccccc2)CC(Nc2ccc(C3CCC3)cc2)C1 1462177775 SRMXURUJLNNOPG-UHFFFAOYSA-N 302.421 4.990 30 20 DJED CCC(C)(C)c1ccc(COC(=O)Cc2ccc(C#N)cc2)cc1 1536935031 DNINPXNFJZQMRZ-UHFFFAOYSA-N 321.420 4.532 30 20 DJED Cc1ccc(C2(CNCc3ccc(C#N)c(F)c3)CCC2)cc1C 1560797002 QYSIJJGATSWINO-UHFFFAOYSA-N 322.427 4.526 30 20 DJED Cc1cc(C)cc(C(=O)Nc2cc3ccccc3cc2C#N)c1 1583717902 XDMVODWGRAHANS-UHFFFAOYSA-N 300.361 4.581 30 20 DJED CCCC[C@H](CC)CCCN(C)C(=O)C1(C#N)CCCCC1 1586674023 YCBPYAZRNKINDM-KRWDZBQOSA-N 306.494 4.915 30 20 DJED N#C[C@@H]1CCC[C@@H](OC(=O)c2cccc(Oc3ccccc3)c2)C1 1596978650 POLMZUUGMGEZAN-CRAIPNDOSA-N 321.376 4.718 30 20 DJED CC[C@H](NCCc1ccc(C#N)cc1)c1ccc(Cl)s1 1617088131 FVYHVRJTXZJJQI-AWEZNQCLSA-N 304.846 4.557 30 20 DJED CC(C)CN(CCC#N)C(=O)C/C=C/c1ccc(C(C)C)cc1 1631260016 GKPXUVOQAGOVMV-FNORWQNLSA-N 312.457 4.612 30 20 DJED Cc1ccccc1C1(CNCc2cc(C#N)cs2)CCCCC1 1649025143 JWDZGJFDTYYZPY-UHFFFAOYSA-N 324.493 4.920 30 20 DJED Cc1cc(CN2CC3(CCCC3)c3c(F)cccc32)ccc1C#N 1664225591 BVKBYDNUWUXLMD-UHFFFAOYSA-N 320.411 4.838 30 20 DJED CCCC[C@H](CCC)CNC(=O)N[C@H](C)c1ccc(C#N)cc1 1667563527 AIBFRGCQRCNQRY-WBVHZDCISA-N 315.461 4.525 30 20 DJED COc1cccc(/C=C/C(=O)c2oc3ccccc3c2C)c1OC 26763358 HPJKEKKBUARSNE-VAWYXSNFSA-N 322.360 4.655 30 20 DJED CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OC 57435448 KFCYPCDUCNBZGJ-MDZDMXLPSA-N 316.784 4.643 30 20 DJED CC(C)Oc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 78968511 UJAVHPTXOYSZOK-HOTGVXAUSA-N 308.425 4.757 30 20 DJED N#Cc1csc(C(=O)Nc2ccccc2Oc2ccccc2)c1 84059902 IPIHBZSDXXOFCO-UHFFFAOYSA-N 320.373 4.664 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)C1CCCCCC1 108241240 IBMBKZIRNAPXPT-AWEZNQCLSA-N 316.470 4.847 30 20 DJED CC(C)c1ccsc1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 159344736 DEVYKBUVIBEWEE-CQSZACIVSA-N 318.829 4.520 30 20 DJED N#Cc1ccc(COc2ccccc2Br)c(Cl)c1 162975491 PSELUNWHJCAONP-UHFFFAOYSA-N 322.589 4.553 30 20 DJED Cc1ncc(CNc2cccc(Oc3ccc(C#N)cc3)c2)s1 172903409 OAJZPKWKRXEEPE-UHFFFAOYSA-N 321.405 4.728 30 20 DJED CCOc1cccc2cc([C@H](C)N[C@@H]3CCC[C@H](C#N)C3)oc12 185764426 LYIVWRVSICIOGO-OFQRWUPVSA-N 312.413 4.564 30 20 DJED COc1ccc2cc([C@H](C)NCc3cccc(C#N)c3)ccc2c1 193871670 NEESDXHOAHWIKP-HNNXBMFYSA-N 316.404 4.571 30 20 DJED Cc1ccc(C#N)cc1NCc1cc(Br)c(C)s1 227824899 KVOQVNUBCQBKCL-UHFFFAOYSA-N 321.243 4.611 30 20 DJED CC(C)Oc1ccc2ccccc2c1CNc1ccc(C#N)cn1 302213665 NPIASJQDKJVWBD-UHFFFAOYSA-N 317.392 4.506 30 20 DJED CCc1noc(C)c1C/N=C(/O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 329380753 NRENDIJNSDERKT-SOUVJXGZSA-N 304.434 4.608 30 20 DJED CCC(CC)[C@@H]1C[C@H](/N=C(/O)c2cc(C(C)C)oc2C)CCO1 330596991 DJTQIDWZLYCDQY-QAPCUYQASA-N 321.461 5.000 30 20 DJED N#CCC[C@@H](Nc1cncc(-c2ccccc2)n1)c1ccccc1 346276021 YSMKADQLUBEWSA-GOSISDBHSA-N 314.392 4.601 30 20 DJED N#CCC[C@@H](NC/C=C\c1ccc(F)cc1F)c1ccccc1 350092083 FKJHDERIYTVMDG-NVAPOSRTSA-N 312.363 4.613 30 20 DJED N#CC1(CCSCc2nnc(C3CC3)s2)CCCCC1 419569106 AWZLDJVYHRVWTF-UHFFFAOYSA-N 307.488 4.513 30 20 DJED CC1(C)CCCN(C(=O)C2CCC(c3ccccc3)CC2)[C@@H]1C#N 434030222 GKOZKXXBTMNIQW-CTWPCTMYSA-N 324.468 4.501 30 20 DJED C[C@@H](SCc1ccc(-n2cccn2)cc1)c1cccc(C#N)c1 443149250 XHGMAGGSBFEIBE-OAHLLOKOSA-N 319.433 4.738 30 20 DJED Cc1cc2c(S[C@H](C#N)C3CCCCC3)ncnc2s1 447329716 MVCTVIXWPHXJBQ-CYBMUJFWSA-N 303.456 4.564 30 20 DJED CN(C(=O)C1(C#N)CCCC1)c1ccc2c(c1)oc1ccccc12 453040515 JUEHZGPKPPFZDC-UHFFFAOYSA-N 318.376 4.633 30 20 DJED N#CC[C@H](CC(=O)Nc1cccc(C2CCC2)c1)c1ccccc1 462375287 KTXNFGNNDMTRFJ-LJQANCHMSA-N 318.420 4.980 30 20 DJED CC[C@@]1(C)C[C@H]1C(=O)Nc1sc(-c2ccccc2)cc1C#N 466294693 BCCRQTHAONLICN-KSSFIOAISA-N 310.422 4.661 30 20 DJED C=CCN(Cc1cccs1)Cc1ccccc1C(C)(C)C#N 487433401 VDKOZTARXPPHCZ-UHFFFAOYSA-N 310.466 4.737 30 20 DJED C=CCOc1ccc(CNC(C)(C)c2cccs2)cc1Cl 522630101 YTGVMWNUCDDPDA-UHFFFAOYSA-N 321.873 4.991 30 20 DJED C=CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 523940937 HCACICRTRUBYBN-KGLIPLIRSA-N 306.475 4.512 30 20 DJED CC(C)(CCC#N)CNCc1cccc(COc2ccccc2)c1 525703202 CIUSKHFZXJILMC-UHFFFAOYSA-N 322.452 4.685 30 20 DJED COc1cc(C)ccc1[C@H](C)N[C@H](CCC#N)c1ccccc1 540148408 MXXDXJXLWKURAC-QFBILLFUSA-N 308.425 4.699 30 20 DJED C[C@H](N[C@H](C)c1ccccc1C(F)(F)F)c1cccc(C#N)c1 540605127 CNGXVXHQAVKFNA-QWHCGFSZSA-N 318.342 4.989 30 20 DJED CCCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H](CC)c1ccccc1 551146692 FPZAYPODKIAQAA-IBGZPJMESA-N 324.399 4.701 30 20 DJED C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H]1c1cccc(C)c1 565273903 PXADPMFPDNGYIJ-FUHWJXTLSA-N 324.472 4.628 30 20 DJED CC(C)(CCC#N)CNC(=O)c1cc2cccc(Cl)c2s1 582667352 MJIXEGRRWDXHBN-UHFFFAOYSA-N 320.845 4.614 30 20 DJED CCc1nc(C)c(COc2ccc(-c3ccc(C#N)cc3)cc2)o1 590587344 LCKVZWKRRYECOZ-UHFFFAOYSA-N 318.376 4.663 30 20 DJED C[C@@H](CCC#N)CN(Cc1cccc(-c2cccnc2)c1)C1CC1 602485271 XBSOLCQPCFDXGG-KRWDZBQOSA-N 319.452 4.653 30 20 DJED C=CCCN(C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C 606899331 KCWBKTSWMMQWGO-OAHLLOKOSA-N 300.471 4.996 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1ncc(C(C)C)s1 612402187 LTHQKDAIJSHTRD-UHFFFAOYSA-N 315.442 4.537 30 20 DJED CCCNc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 618577738 CXPGBNWHCQDUAP-OAQYLSRUSA-N 319.452 4.547 30 20 DJED N#Cc1ccc(CNc2ccnc3cc(F)ccc23)cc1Cl 619747390 YQZXOZDIDGVPBY-UHFFFAOYSA-N 311.747 4.511 30 20 DJED Cc1c(N[C@H](C)CC(C)(C)C#N)ccc(Br)c1F 695789476 FJTWMRIUPXNCGJ-SECBINFHSA-N 313.214 4.637 30 20 DJED Cc1ccccc1C(=NNc1ncccc1C(F)(F)F)C1CC1 731925762 VFNNKKNLTHGITQ-UHFFFAOYSA-N 319.330 4.635 30 20 DJED O=C(/C=C\c1cc(F)ccc1F)c1cccc(-c2ccncc2)c1 741471480 AGAZNEOBVJNDMP-DAXSKMNVSA-N 321.326 4.923 30 20 DJED Cc1ccc([C@H]2CCCC2=NNc2ncnc3sccc23)cc1 741837364 IXTMOGWRCQIHSU-CQSZACIVSA-N 322.437 4.735 30 20 DJED Fc1ccc(/C=C/C=NNc2ccc(OC(F)F)cc2)cc1 747751113 HTDOMXHEWOIUOZ-RZTIANJHSA-N 306.287 4.538 30 20 DJED Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1ccc(Cl)nc1 748997950 MGUACIZCCIZSFW-FNORWQNLSA-N 320.845 4.694 30 20 DJED FC(F)(F)C1CCC(C=NNCc2ccccc2Cl)CC1 767371262 UYNAVMOXULQDFL-UHFFFAOYSA-N 318.770 4.784 30 20 DJED C=CC[C@H](N[C@@H](C)c1csc(C(C)C)n1)c1ccncc1 769419549 YTLRCYLKODWYTE-ZFWWWQNUSA-N 301.459 4.630 30 20 DJED Cc1cccc(C(C)(C)CN[C@@H](C)c2ccc(OCC#N)cc2)c1 776159040 HLAGJLWXZGJVDT-KRWDZBQOSA-N 322.452 4.526 30 20 DJED CC(CCCCN(C)C)=NNc1c(Cl)cccc1Cl 781124717 BVUTVFIRGVOCJC-UHFFFAOYSA-N 302.249 4.513 30 20 DJED O=C(/C=C\c1scnc1C1CC1)c1cccc(C(F)(F)F)c1 782300142 CPNXNVLHXJXTQY-SREVYHEPSA-N 323.339 4.935 30 20 DJED CC/C=C(\C)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782485179 FPHXKFVTQSVIGC-KBHCHJSJSA-N 318.420 4.759 30 20 DJED C=CCC(C)(C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 796762861 KFKHDEJWZJZMIK-OAHLLOKOSA-N 324.449 4.897 30 20 DJED Cc1nn(C(C)C)cc1/C=C1/COc2c(cccc2C(C)C)C1=O 798370244 HMCQGFWOTGGFAC-SXGWCWSVSA-N 324.424 4.555 30 20 DJED Cc1cc(C(=O)/C=C\c2sccc2Br)oc1C 799895863 FFOYNKJGMWFYGE-ARJAWSKDSA-N 311.200 4.617 30 20 DJED O=C(/C=C\c1ccc2oncc2c1)c1ccc(C(F)(F)F)cc1 821038705 KVUGLXYPOIEABN-XFSBKJJWSA-N 317.266 4.743 30 20 DJED C#CC1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2C)CC1 831224028 UUAJONBWBIRZMK-UHFFFAOYSA-N 318.420 4.539 30 20 DJED CC(C)(C#N)CCCn1nc(-c2ccc(Cl)cc2)nc1Cl 902617789 PKTCVWCWFXXOCY-UHFFFAOYSA-N 323.227 4.582 30 20 DJED CC[C@H](N[C@@H](C)c1nc2ccccc2s1)c1cccc(C#N)c1 902804050 MIGJHSXGMYFJER-BBRMVZONSA-N 321.449 4.970 30 20 DJED FC(F)(F)c1ccc(NN=C2CC[C@@H]3CCCC[C@H]3C2)nc1 915917490 DNRWCDYRFAQIFB-RYUDHWBXSA-N 311.351 4.859 30 20 DJED COc1cc(OC)c(C(=O)/C=C\c2ccc(C)cc2)cc1Cl 916154852 XOLOFPLQWWTKAK-HJWRWDBZSA-N 316.784 4.562 30 20 DJED COc1ccccc1C(C)=NNc1cccc(C(F)(F)F)c1 916259746 HJFFDYDTWCCXNG-UHFFFAOYSA-N 308.303 4.550 30 20 DJED CCCCCCCCCN(C)C(=O)c1cc(F)cc2nc[nH]c12 918397773 NHFOMKMVLSBVPZ-UHFFFAOYSA-N 319.424 4.525 30 20 DJED Cc1ccc([C@@H]2CCC[C@@H]2OC(=O)c2cccc(CC#N)c2)cc1 1128223415 VTYOVLQLGCWIRF-PMACEKPBSA-N 319.404 4.554 30 20 DJED C[C@@H]1CCCc2ccccc2[C@H]1Nc1ccc(Cl)c(C#N)n1 1163006767 XNHSAGLXLXUKQX-XIKOKIGWSA-N 311.816 4.732 30 20 DJED Cc1ccc(C(=O)CSc2ccc(C#N)cc2Cl)cc1C 1188972037 ZWLRYXIUAKZCKZ-UHFFFAOYSA-N 315.825 4.804 30 20 DJED N#C[C@H](c1ccccc1)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 1193774403 YHQMBHJBTBSHCT-NJDAHSKKSA-N 300.405 4.572 30 20 DJED N#Cc1cc(Oc2ccc(NCC3CCCCC3)cc2)ccn1 1308422201 AGAKRURZBZXTFZ-UHFFFAOYSA-N 307.397 4.738 30 20 DJED N#Cc1c(F)cccc1CN1CCCC2(CCCCCC2)C1 1308562596 XWUQMZMHUYJPKT-UHFFFAOYSA-N 300.421 4.634 30 20 DJED Cc1cccc(C(=O)N(c2ccccc2C#N)C2CCC2)c1Cl 1437660969 UDQDUFKMCVDKCU-UHFFFAOYSA-N 324.811 4.719 30 20 DJED CN(CCc1ccc(Cl)cc1)CCC1(C#N)CCCCC1 1459871586 DITABDLVYYCWQW-UHFFFAOYSA-N 304.865 4.678 30 20 DJED CO[C@H]1CCC[C@H](Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1462129551 TXDSXSRXVGFWEN-LPHOPBHVSA-N 322.408 4.720 30 20 DJED CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)Nc1cccc(C#N)c1 1465139658 FBYJBXNCUUGWDB-WBVHZDCISA-N 313.445 4.532 30 20 DJED C[C@H](Cc1coc2ccccc12)Nc1ccc(F)cc1OCC#N 1474429509 LMMHCRGACNCNJK-CYBMUJFWSA-N 324.355 4.517 30 20 DJED CCCC[C@@H](C(=O)N(C)[C@H](C#N)c1ccc(CC)cc1)C(C)C 1524111370 OVEAPFGDDGOAQG-RTBURBONSA-N 314.473 4.734 30 20 DJED Cc1ccc2sc(C(=O)O[C@@H](C)c3ccc(C#N)cc3)cc2c1 1533619241 NEMFXZMWXSGZBJ-ZDUSSCGKSA-N 321.401 4.999 30 20 DJED Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ccc(C#N)cc2C)o1 1559569701 FEXZCELHKFEEOR-LIRRHRJNSA-N 308.425 4.741 30 20 DJED N#CCc1ccc(NCc2cccc(Oc3ccccn3)c2)cc1 1560279816 VZVAOEFJZLHFJG-UHFFFAOYSA-N 315.376 4.552 30 20 DJED C=C(Cl)CN[C@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F 1616006915 JCRIYHBTXIUOMX-CYBMUJFWSA-N 305.771 4.930 30 20 DJED Cc1cc(C#N)cc(NCc2ncc(-c3ccccc3)s2)c1 1620969063 XOYHARRWQQUXES-UHFFFAOYSA-N 305.406 4.602 30 20 DJED CC1(C)CC[C@@H](Sc2nc(C(F)(F)F)ccc2C#N)C1 1641069052 RYYUHGKJPXLPPP-SNVBAGLBSA-N 300.349 4.643 30 20 DJED CCN(Cc1cc2ccccc2o1)[C@H](C)c1ccc(C#N)cc1 1641564922 IFZIMMBOJNSAMW-OAHLLOKOSA-N 304.393 4.888 30 20 DJED C[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)c2ccccc2S1 1642067957 GSSRGMITWFWKDO-CYBMUJFWSA-N 312.413 4.588 30 20 DJED N#C[C@H](c1ccccc1)N1CC=C(c2c[nH]c3ccccc23)CC1 1644650699 JSHDCDBQRXAVTC-OAQYLSRUSA-N 313.404 4.522 30 20 DJED COc1cccc([C@@H](C)SCc2cc(F)ccc2C#N)c1 1656370229 YMEGUSVKKCOARR-GFCCVEGCSA-N 301.386 4.700 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)Cc1cc2ccccc2o1 1657106815 DUYKQNPYBWRASI-UHFFFAOYSA-N 318.420 4.963 30 20 DJED CCC(CC)CN(CCC#N)Cc1ccc(C(F)(F)F)s1 1658347834 DQINLXGAUADOPM-UHFFFAOYSA-N 318.408 4.919 30 20 DJED C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)Cc2ccccc21 1660050034 NTGTUHSVAQNTQH-INIZCTEOSA-N 304.437 4.607 30 20 DJED C=C(CNC(=O)N1CCC[C@H]1c1cccc(C)c1)c1ccccc1 1682940666 GTGFVOJWUKJMSF-FQEVSTJZSA-N 320.436 4.555 30 20 DJED Cc1cn2c(/C=C/C(=O)c3cccc(Cl)c3)c(C)nc2s1 58452779 UCXLQPXZKQZJHM-VOTSOKGWSA-N 316.813 4.562 30 20 DJED Cc1ccoc1C(=O)/C=C/c1csc(-c2cccs2)n1 119034605 PDBKWECTFLWZRS-SNAWJCMRSA-N 301.392 4.669 30 20 DJED N#CC1(C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)CCC1 128297261 UCVSNQDRAVBCMA-UHFFFAOYSA-N 316.360 4.732 30 20 DJED Cc1nc(COc2ccc(Oc3ccc(C#N)cc3)cc2)oc1C 176863552 VGCCJVBUGQJEEJ-UHFFFAOYSA-N 320.348 4.534 30 20 DJED CCCC[C@@H](NCc1ccc(C#N)s1)c1ccc(OC)cc1 176962364 BFNGADQSNGKRCE-GOSISDBHSA-N 314.454 4.649 30 20 DJED C[C@H](NCCCCC#N)c1ccc(-c2ccccc2F)s1 178643430 KWSSITIRQDGKBC-ZDUSSCGKSA-N 302.418 4.899 30 20 DJED COc1ccc(C#N)cc1CN[C@@H](C)c1cc2ccccc2s1 184377747 LJSWBFYGXGRDSM-ZDUSSCGKSA-N 322.433 4.632 30 20 DJED CC[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 278667761 IZXIJDISHYZMTP-KSSFIOAISA-N 323.396 4.577 30 20 DJED C=C(C)[C@H](Nc1ncnc2sccc12)c1ccc(F)c(F)c1 302342110 BZOKLDKMWNSRJI-AWEZNQCLSA-N 317.364 4.699 30 20 DJED CC[C@@H]1CCCC[C@@H]1/N=C(/O)CCc1ncc(C(C)(C)C)o1 328815057 PKFOWWPSGSWYER-KGLIPLIRSA-N 306.450 4.830 30 20 DJED OC(=Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@H]1CCCSC1 329790183 SWGQNGSNWLPTQC-LBPRGKRZSA-N 315.442 4.562 30 20 DJED N#CCCCC(=O)Nc1cccc(CSCc2ccccc2)c1 360381731 RDRHVMUUPRXQIS-UHFFFAOYSA-N 324.449 4.752 30 20 DJED CC[C@@H](c1ccccc1)[S@](=O)CCC1(C#N)CCCCC1 414258297 XQUQZXPYCOSCJD-LAUBAEHRSA-N 303.471 4.751 30 20 DJED N#C[C@H](CCc1ccccc1)C(=O)Nc1cccc2ccccc12 433227553 RXWBQYQSXHEDJF-SFHVURJKSA-N 314.388 4.551 30 20 DJED C=CCC[C@H](NC(=O)c1ccco1)c1ccc(C(F)(F)F)cc1 441542431 MLIKSGCPLBOGDT-AWEZNQCLSA-N 323.314 4.736 30 20 DJED N#C[C@H]1CC[C@@H](Nc2cc(Cl)ccc2OCC2CCC2)C1 442869560 BWNKIIYHHKMYFS-DZGCQCFKSA-N 304.821 4.623 30 20 DJED CCCN(CC#N)C(=O)c1ccc(Sc2ccccc2C)cc1 448154905 JYFOWQGGNDLVBW-UHFFFAOYSA-N 324.449 4.522 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(F)c1C 467930999 IYNGRNVPOMLLHV-UHFFFAOYSA-N 312.388 4.744 30 20 DJED C=C(C)CN(C)C(=O)Nc1c(F)cc(F)cc1-c1ccccc1 477533455 QRSYSVLYSBVJEF-UHFFFAOYSA-N 316.351 4.672 30 20 DJED C=C(C)CN(CC)C(=O)N[C@H](c1ccccc1)C(CC)CC 503372048 IONFYJMAXJQPIL-SFHVURJKSA-N 302.462 4.772 30 20 DJED N#Cc1ccsc1C(=O)Nc1cccc(-c2cccs2)c1 505873543 YARYLDNQUOMEPN-UHFFFAOYSA-N 310.403 4.601 30 20 DJED C=C(C)CCc1noc([C@H](C)Oc2cc(C)ccc2Cl)n1 508615659 PMAPCOUACOCSOF-LBPRGKRZSA-N 306.793 4.680 30 20 DJED CCC(C)(C)C1CCC(NC(=O)C2(C#N)CCCCC2)CC1 518490298 INDSMQHWKICEKG-UHFFFAOYSA-N 304.478 4.572 30 20 DJED C[C@H]1CCCC[C@@H]1CC(=O)Nc1cccc(OCCCC#N)c1 518801784 GSUKXRKXSIGPHQ-JKSUJKDBSA-N 314.429 4.524 30 20 DJED CCCCN(CCCC1(C#N)CCOCC1)[C@@H]1CCC[C@H](C)C1 520201006 OASQSTZGPCAYDL-RBUKOAKNSA-N 320.521 4.768 30 20 DJED C=CCCNc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 524843847 IMGFPBRAGDQHDW-KBPBESRZSA-N 320.864 4.731 30 20 DJED C=C[C@H](CC(=O)NC[C@@H](C)c1cccc(C)c1)c1ccccc1 535451765 XXWIOZUYKBTLIL-QZTJIDSGSA-N 307.437 4.575 30 20 DJED C=CCCOCCCCC(=O)N(C)[C@H](C)c1ccc(C)cc1C 538265918 LDDDLCUAHMPAHE-GOSISDBHSA-N 317.473 4.586 30 20 DJED Cc1cnc([C@H](C)Sc2nc(-c3ccccc3)ccc2C#N)o1 538897783 AYCJAPXJYKYLLP-ZDUSSCGKSA-N 321.405 4.770 30 20 DJED CC[C@@H](C)n1ncc(N[C@@H](C)c2cccc(C#N)c2)c1C1CC1 539681527 OAJRHGLEADIENJ-KGLIPLIRSA-N 308.429 4.776 30 20 DJED N#Cc1cccc(C2(NCc3cccc(Cl)c3Cl)CC2)c1 551580928 JNUGDQLYIHPBMC-UHFFFAOYSA-N 317.219 4.644 30 20 DJED Cc1c(C(=O)Nc2ccc(CC#N)cc2)sc2cc(F)ccc12 553626663 WLHSPGYXSAXHIH-UHFFFAOYSA-N 324.380 4.667 30 20 DJED CC(C)(C#N)c1ccccc1CN1Cc2cccc(Cl)c2C1 561923517 JPGQKXOMLRKFTP-UHFFFAOYSA-N 310.828 4.657 30 20 DJED N#C[C@@H](NC(=O)CCCC1CCCCC1)c1ccc(Cl)cc1 564677105 XFFQWKSEVKVPRW-QGZVFWFLSA-N 318.848 4.771 30 20 DJED C=CC1CCN(C(=O)c2ccc(-c3ccc(C)cc3)cc2F)CC1 599686068 ACPJBRUZVDDFSO-UHFFFAOYSA-N 323.411 4.839 30 20 DJED N#Cc1ccccc1SCc1csc(C2CCCC2)n1 610206545 HTYGWXAEAFKQDE-UHFFFAOYSA-N 300.452 4.965 30 20 DJED CC(=NNc1cnc2ccccc2n1)C12CC3CC(CC(C3)C1)C2 727258693 RJEIKPKQYCTBCJ-UHFFFAOYSA-N 320.440 4.634 30 20 DJED C#Cc1ccc(C(=O)N(c2ccc(C)c(C)c2)C(CC)CC)nc1 728822795 WGSPOMHDUBTRPL-UHFFFAOYSA-N 320.436 4.515 30 20 DJED COc1ccc(/C=C\C(=O)c2nc(-c3ccccc3)cs2)cc1 730084839 ILZGGZPGCXEBNJ-XFXZXTDPSA-N 321.401 4.715 30 20 DJED CC[C@H](C#N)Oc1cccc(CNC/C(C)=C\c2ccccc2)c1 733800505 WIUNQXHUIJWYRJ-MJLBXUHQSA-N 320.436 4.561 30 20 DJED Clc1ccc([C@H]2CCCC2=NNc2cncc(Cl)n2)cc1 741460879 UFILYYQGMZMEOS-GFCCVEGCSA-N 321.211 4.519 30 20 DJED COCc1ccc(/C=C/C(=O)c2oc3ccccc3c2C)cc1 741846805 CANMAWMPKTXFEM-VAWYXSNFSA-N 306.361 4.784 30 20 DJED COCc1cccc(/C=C2/C(=O)c3cccc4c3[C@H]2CCC4)c1 763289751 MVFRNCRMOMZDEU-DAQNXSASSA-N 304.389 4.533 30 20 DJED C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H]2C2CCCCC2)cc1 768319416 NWLPZEIWENVWSN-OXJNMPFZSA-N 312.457 4.522 30 20 DJED CCc1ccc(C(=O)/C=C\c2nc3c(s2)CCCC3)s1 776267370 YDSWHTCEARISAH-NTMALXAHSA-N 303.452 4.542 30 20 DJED CCCCCCCC(=O)OCc1nc(-c2ccccn2)cs1 800342630 SGZPNAMGKJNIEW-UHFFFAOYSA-N 318.442 4.609 30 20 DJED C=CCC[C@@H](Nc1nc(Cl)c(C#N)s1)c1ccccc1 804563679 WILJADLCVGHAMI-GFCCVEGCSA-N 303.818 4.788 30 20 DJED O=C(/C=C/c1cc(F)ncc1F)c1cc2cc(Cl)ccc2o1 806566883 CBOQBGWEGFUOFB-HNQUOIGGSA-N 319.694 4.656 30 20 DJED CSc1ccc(CON=Cc2ccccc2OC(C)C)cc1 836498149 KPTAYFGOGKODBJ-UHFFFAOYSA-N 315.438 4.746 30 20 DJED N#C[C@H](C(=O)CCC1CCCCCC1)c1nc(C2CC2)cs1 847735689 RMNHQOVTEQJNRJ-OAHLLOKOSA-N 316.470 4.947 30 20 DJED COc1ccccc1C=NOCc1ccc(Cl)cc1Cl 849828619 LTYFTBKEGLVSBG-UHFFFAOYSA-N 310.180 4.553 30 20 DJED CC[C@@H](N[C@@H](C)c1cccc(F)c1F)c1cccc(C#N)c1 902890993 LEACDZZNSJSQSG-YVEFUNNKSA-N 300.352 4.638 30 20 DJED C=CCC1(c2nc(-c3nccc4ccccc34)no2)CCCC1 904594984 XDUNXCYTBPVUJB-UHFFFAOYSA-N 305.381 4.673 30 20 DJED C/C=C\C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 916056719 GPTGMTGDPLWGEM-CPCLXONGSA-N 310.784 4.510 30 20 DJED Cc1cc(C=NN=C(c2ccccc2)c2ccccc2)c(C)[nH]1 917565677 UQEFDUIPTLKOPB-UHFFFAOYSA-N 301.393 4.503 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc(Cl)c(F)c2)cc1F 921265701 PZQSLFURBNKKJH-UTCJRWHESA-N 308.711 4.523 30 20 DJED Cc1ccc2sc(C(=O)O[C@H](C)c3cccc(C#N)c3)cc2c1 1127022003 SQSWVAGIVSIFIP-CYBMUJFWSA-N 321.401 4.999 30 20 DJED Cc1cc(NCC2(c3ccccc3C)CCCCC2)ncc1C#N 1162366640 IYQMECOONXCKLQ-UHFFFAOYSA-N 319.452 4.884 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1cc(F)cc(Cl)c1 1202715158 FLSDKGCRSPGIKN-UHFFFAOYSA-N 318.779 4.750 30 20 DJED N#Cc1ccc(SCCc2noc3ccccc23)c(Cl)c1 1307317958 RFZNKYBPXYSDST-UHFFFAOYSA-N 314.797 4.688 30 20 DJED CCc1cc(C#N)c(NC(=O)c2ccc(CC)c(CC)c2)s1 1358293802 OOTYHOSKZHQXMZ-UHFFFAOYSA-N 312.438 4.559 30 20 DJED Cc1cc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(C)s1 1459533607 WPROKAILWAZIPY-OALUTQOASA-N 310.466 4.637 30 20 DJED Cc1cc(CN2CCC[C@@H](c3ccc(F)cc3)CC2)ccc1C#N 1461992735 NGBDFRWMLLOWIY-GOSISDBHSA-N 322.427 4.776 30 20 DJED C[C@@H](Sc1nccn1-c1cccc(F)c1)c1cccc(C#N)c1 1472946871 AFJMQIDADPYPRQ-CYBMUJFWSA-N 323.396 4.736 30 20 DJED C[C@@H](c1ccccc1)N(CCc1ccc(C#N)cc1)CC1CCC1 1473177978 UDOORTPVERATBD-SFHVURJKSA-N 318.464 4.964 30 20 DJED C[C@H](CCC1CCCCC1)NC(=O)Nc1cc(F)cc(C#N)c1 1476982125 PAPRWIANBYGKLC-CYBMUJFWSA-N 317.408 4.568 30 20 DJED Cc1c(C(=O)O[C@@H](C)c2ccc(C#N)cc2)oc2c(C)cccc12 1515122987 BHYAALFBJSWAHH-AWEZNQCLSA-N 319.360 4.839 30 20 DJED CCCCc1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1 1531009310 IKRXJJHGIOWHGV-UHFFFAOYSA-N 312.800 4.807 30 20 DJED CC(C)c1cccc(C(=O)N(c2cccc(C#N)c2)C2CCC2)c1 1538998024 OEBPVZVRKQLQRQ-UHFFFAOYSA-N 318.420 4.881 30 20 DJED C[C@H](Nc1ccc(CC#N)cc1)c1cccc(Br)c1 37071464 KXKVDWLAYFCTQQ-LBPRGKRZSA-N 315.214 4.688 30 20 DJED CCCN(CCCC#N)[C@@H](C)c1ccccc1Br 71954110 JMGKGNJJMMKUGM-ZDUSSCGKSA-N 309.251 4.526 30 20 DJED C=CCC[C@@H](N[C@@H](C)c1nc2ccccc2n1C)c1ccccc1 91400590 QURFPDQXUZGQRI-FUHWJXTLSA-N 319.452 4.931 30 20 DJED Cc1coc(-c2cc(NCc3ccc(C#N)s3)ccc2C)n1 152637669 SZBGWDOGUMKJPP-UHFFFAOYSA-N 309.394 4.504 30 20 DJED Cc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)cc1Cl 155594014 PEAMSQHDXHSTAP-CYBMUJFWSA-N 300.789 4.551 30 20 DJED Cc1cc(Cl)c(NC(=O)c2cccc(CC#N)c2)cc1Cl 179287537 XRUOMRFOGQRAIP-UHFFFAOYSA-N 319.191 4.620 30 20 DJED C=C(C)CN(C)C(=O)Nc1ccc(SC2CCCC2)cc1 181566368 WDWPIRCEESVQJC-UHFFFAOYSA-N 304.459 4.761 30 20 DJED N#CCC[C@H](N[C@@H]1CCCc2cc(F)ccc21)c1ccccc1 183370319 OLLGHNJJLGCENY-VQTJNVASSA-N 308.400 4.838 30 20 DJED C[C@@H]1[C@@H](Nc2ccc(C#N)c(Br)c2)CCC[C@H]1C 300291527 AXBBTPLEQZOWDZ-ZETOZRRWSA-N 307.235 4.557 30 20 DJED Cc1cc(C)c2nc(N=C(O)[C@H]3CCC(=O)[C@@H](C)C3)sc2c1 328910167 NGGHMSRMRAHOKN-JQWIXIFHSA-N 316.426 4.506 30 20 DJED COc1cc(N=C(O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)ccc1O 329119665 VMEFWOOJTLRHDB-NWANDNLSSA-N 303.402 4.595 30 20 DJED CC(C)[C@H](/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)c1ncc[nH]1 329335017 LADNEQDISXDUMS-JONQDZQNSA-N 303.450 4.670 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1ccc(C2=CCCC2)cc1 362171797 MOTWXOAXKNADDN-UHFFFAOYSA-N 310.441 4.798 30 20 DJED C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(C(C)(C)C)cc1 404755738 KZNXEBCPAGFVHC-CQSZACIVSA-N 310.416 4.846 30 20 DJED C=CCCc1ccccc1NC(=O)C/C=C\c1ccccc1F 410362815 YSOABNRBZHIVKM-WQLSENKSSA-N 309.384 4.986 30 20 DJED C=CCN(Cc1cccs1)C(=O)N[C@H](CC)c1ccccc1 413648663 OFCLTYUUHCVIKD-QGZVFWFLSA-N 314.454 4.597 30 20 DJED C=CCC[C@H](NC(=O)N(C)[C@H]1CC[C@@H](C)C1)c1ccccc1 429002881 ZOACXMPJSJGDKO-NJAFHUGGSA-N 300.446 4.524 30 20 DJED C=C1CCN([C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)CC1 443620446 SUPSBGHNIGSHCO-ZDUSSCGKSA-N 302.805 4.708 30 20 DJED C=CC[C@H]1N(C(=O)Nc2cccc(F)c2C)CCCC1(C)C 444929670 ZQPHCUYRDQDDMT-MRXNPFEDSA-N 304.409 4.733 30 20 DJED N#Cc1ccccc1/C=C\c1nc(-c2cc3ccccc3o2)no1 445647066 DNKNIPRXXXIZFG-KTKRTIGZSA-N 313.316 4.525 30 20 DJED C=C(C)CN(C)C(=O)Nc1cccnc1-c1ccc(Cl)s1 446583022 BGJJEPMRDIFWQH-UHFFFAOYSA-N 321.833 4.503 30 20 DJED CC(C)(CN[C@@H]1CCC[C@H](C#N)C1)Cc1cccc(Cl)c1 463244308 GTYHQBPCNAERSH-DOTOQJQBSA-N 304.865 4.581 30 20 DJED CCCN(CC)C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 464863536 UWFPQIHWKMAJIO-UHFFFAOYSA-N 322.408 4.531 30 20 DJED N#Cc1cc(C(=O)Nc2ccccc2-c2ccccc2)ccc1F 469026865 UCMRCYDZTFRSGD-UHFFFAOYSA-N 316.335 4.617 30 20 DJED C=C(C)CN(C)C(=O)c1sc2cc(Cl)ccc2c1Cl 479292498 VLSJULIRGSYVPT-UHFFFAOYSA-N 314.237 4.856 30 20 DJED C[C@H](N[C@H]1CC[C@@H](c2ccccc2F)C1)c1ccc(C#N)cc1 481720803 UMPGVQPUOHIRER-QGTPRVQTSA-N 308.400 4.684 30 20 DJED N#Cc1cc(F)ccc1CN1CCC[C@@H]1c1ccc(Cl)cc1 488271923 ZBRWLMGSGJAEBB-GOSISDBHSA-N 314.791 4.688 30 20 DJED CCN(Cc1cc(Cl)cs1)[C@@H](C)c1ccc(C#N)cc1 495061537 TWFXNBGLHJLVGV-LBPRGKRZSA-N 304.846 4.856 30 20 DJED Cc1c(C#N)cccc1NCc1ncc(-c2ccccc2)s1 500752893 PHEWVCMNPBFVPA-UHFFFAOYSA-N 305.406 4.602 30 20 DJED C=CCNC(=O)[C@@H](C)Sc1ccc(C2CCCCC2)cc1 515285519 GSWCNDPBLTVNFH-CQSZACIVSA-N 303.471 4.517 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C[C@H]1CCCC[C@@H]1C 518881102 ZKPDVLHVFPKMFV-QFBILLFUSA-N 312.457 4.512 30 20 DJED CC[C@H](C)[C@@H](NCCCSCC#N)c1ccc(Cl)cc1 538197003 AEHTYEWIVYFHRU-XJKSGUPXSA-N 310.894 4.664 30 20 DJED CSCCCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 541083947 CRPUDDPKIIMDKA-OAHLLOKOSA-N 310.466 4.629 30 20 DJED N#C[C@@H]1CC[C@@H](N[C@@H](c2c(Cl)cccc2Cl)C2CC2)C1 549717681 JLBLABXUEUYOKL-NSODJVPESA-N 309.240 4.726 30 20 DJED C=CCCC(=O)Nc1nc(-c2cccc(Cl)c2)c(C)s1 558871546 SEHKYTAXABZMMA-UHFFFAOYSA-N 306.818 4.677 30 20 DJED CC[C@H]1CN(C(=O)CCCCCC#N)CC[C@@H]1c1ccccc1 588160331 FGUOEPACGKLVEL-HKUYNNGSSA-N 312.457 4.503 30 20 DJED Cc1cc(C)cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c1 592973223 AVHWYYNIMWEZBM-CQSZACIVSA-N 324.380 4.542 30 20 DJED C[C@@H](Nc1ncccc1C#N)C(c1ccccc1)c1ccccc1 603627648 BGAWFCFDENYIMZ-MRXNPFEDSA-N 313.404 4.586 30 20 DJED Cc1cccc2c(N3CCC[C@H]3c3ccsc3)c(C#N)cnc12 610514921 DXSUBDCQUVYFNH-KRWDZBQOSA-N 319.433 4.818 30 20 DJED Cc1ccc(-c2cncc(F)c2)cc1NCc1ccccc1C#N 619745844 DXMBMYNXORJMDC-UHFFFAOYSA-N 317.367 4.680 30 20 DJED CC(C)Oc1ccc(C(=O)/C=C/C2=Cc3ccccc3OC2)cc1 726741525 GUJVVQWTXRXDEM-KPKJPENVSA-N 320.388 4.689 30 20 DJED CCC(CC)CN(CCC#N)C(=S)Nc1cccc(Cl)c1 729642015 CCKVSHFCDOJMFI-UHFFFAOYSA-N 323.893 4.689 30 20 DJED CCCCCCCCCN(C)C(=O)c1ccc(C(C)=O)cc1 731978304 HDMRPHYUZMFZSM-UHFFFAOYSA-N 303.446 4.712 30 20 DJED Cc1ccc(CC(=NNc2nncc3ccccc23)C(C)C)cc1 741453291 OLMFOZWZJGXSOM-UHFFFAOYSA-N 318.424 4.605 30 20 DJED O=C(/C=C\c1ccccc1F)c1cccc(-c2ccncc2)c1 741473876 TYDJEPOTUHWJAL-HJWRWDBZSA-N 303.336 4.784 30 20 DJED O=C(/C=C\c1cccc(OC(F)F)c1)c1cccc(Cl)c1 747061905 PSMLBOPJLPLCAA-FPLPWBNLSA-N 308.711 4.838 30 20 DJED CC(C)CC(=NNc1nccc2sccc12)c1ccccn1 760252404 AFTILYAVSKYKJH-UHFFFAOYSA-N 310.426 4.554 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1)c1ccc(-c2ccccc2)o1 765015973 TUTDOIVUQIDHKB-OAHLLOKOSA-N 302.377 4.669 30 20 DJED CC(=O)Nc1ccc(C(=O)/C=C\c2ccc(Cl)cc2C)cc1 767360876 SVFRRHHMBAYTMJ-POHAHGRESA-N 313.784 4.503 30 20 DJED N#Cc1cc(/C=C\C(=O)c2cccc3ccccc23)ccc1F 770568574 GMZHQHKUTCKJSK-LUAWRHEFSA-N 301.320 4.747 30 20 DJED O=C(/C=C\c1nc2c(s1)CCCC2)c1cc2ccccc2o1 776262225 DJRZYINLRJPEMB-KTKRTIGZSA-N 309.390 4.664 30 20 DJED CCNc1ccc(C#N)cc1NCc1ccccc1C(F)(F)F 776850122 QWGRYGCURHKQGA-UHFFFAOYSA-N 319.330 4.621 30 20 DJED C=CCC[C@H](C(=O)OCc1ccc(CC#N)cc1)c1ccccc1 777770761 OCWKFWYZMREOHN-FQEVSTJZSA-N 319.404 4.546 30 20 DJED COc1ccc(C(=O)/C=C/C=C\c2ccc(F)c(F)c2)cc1F 794697191 KLWWZGSQSZNGJY-VOERYJCWSA-N 318.294 4.565 30 20 DJED N#CC1(CCCSCc2ccc(Cl)s2)CCOCC1 798399389 DXSKHELKONDXCJ-UHFFFAOYSA-N 315.891 4.735 30 20 DJED COC[C@H](/N=C\c1cc(Cl)ccc1O)c1cccc(Cl)c1 809144263 IYOVPMIFFFYKJY-VRKJEAOJSA-N 324.207 4.506 30 20 DJED O=C(/C=C/c1ccc2cnccc2c1)c1nccc2ccccc12 811698642 LLISFKYDVFRIQK-SOFGYWHQSA-N 310.356 4.679 30 20 DJED C[C@@H](CC(=O)[C@H](C#N)c1nc(C2CC2)cs1)CC(C)(C)C 842939427 QGBCLWLIEJUDPP-AAEUAGOBSA-N 304.459 4.659 30 20 DJED C=CCC1(c2nc(COc3ccccc3F)no2)CCCCC1 904728147 FMGNFDAAOJEFCA-UHFFFAOYSA-N 316.376 4.566 30 20 DJED CC[C@@H](Nc1ccc(OCC#N)cc1)c1cc(Cl)ccc1O 1116651811 UBWAXMOGRKNNLV-MRXNPFEDSA-N 316.788 4.511 30 20 DJED CC(C)CN(CCC#N)C(=O)c1ccc2c(c1)oc1ccccc12 1117135249 JQKAOYWMRAVHQX-UHFFFAOYSA-N 320.392 4.598 30 20 DJED N#Cc1ccc(NC(=O)c2ccc(-c3ccccc3)o2)cc1Cl 1124299756 YMQQBAHMXWHZEQ-UHFFFAOYSA-N 322.751 4.724 30 20 DJED C[C@H](Sc1nc2c(cc1C#N)CCCC2)c1ccccc1F 1188565753 QXQWNAPLUWHJQO-LBPRGKRZSA-N 312.413 4.824 30 20 DJED CC(C)(C)CN(CCC#N)Cc1cc(Cl)sc1Cl 1191134516 YYGQOVDZROLVCO-UHFFFAOYSA-N 305.274 4.817 30 20 DJED C=C[C@@H]1CCCCN1C(=O)c1ccc(-c2cccs2)s1 1320926429 MQSPOTYNOHXUJF-GFCCVEGCSA-N 303.452 4.657 30 20 DJED N#Cc1cccc(NC(=O)c2ccc(-c3cccs3)s2)c1 1337595279 LRWLRHVRFJJHFW-UHFFFAOYSA-N 310.403 4.601 30 20 DJED CCc1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)cc1CC 1354918359 IJORMRPZXSLILS-CQSZACIVSA-N 307.393 4.601 30 20 DJED C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1360912671 YJMUZCHDVSJQAD-NWDGAFQWSA-N 324.346 4.732 30 20 DJED CC[C@@H](C(=O)N1CCCc2cc(C#N)ccc21)C1CCC(C)CC1 1436399611 INDICXRRSOEPSI-GXOAENINSA-N 324.468 4.690 30 20 DJED CC(C)(C)N(Cc1ccc(F)cc1)Cc1cccc(C#N)c1F 1473264967 IEUMYDBHMXHPJS-UHFFFAOYSA-N 314.379 4.637 30 20 DJED CSc1ccc(CCCC(=O)Nc2cc(C#N)ccc2C)cc1 1524611116 UCJDHNHVAJMBQH-UHFFFAOYSA-N 324.449 4.550 30 20 DJED CC(C)(C#N)c1ccccc1CN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 1559772055 NRTVILKVAFYCBZ-HGHGUNKESA-N 310.485 4.792 30 20 DJED Cc1cc(C#N)cc(NC(=O)CCSc2ccc(C)c(C)c2)c1 1584926344 YWHZEZDNIWYLLX-UHFFFAOYSA-N 324.449 4.604 30 20 DJED C=C(CNCc1cc(OC)c2ccccc2c1)c1ccccc1 1620773347 YJELQLIDHJPZNN-UHFFFAOYSA-N 303.405 4.651 30 20 DJED C[C@@H]1C[C@H](CCNC(=O)Nc2ccc(C#N)cc2)CC(C)(C)C1 1622711831 GPHRKRRUOMOTGQ-ZBFHGGJFSA-N 313.445 4.532 30 20 DJED CC(C)c1ccc([C@@H](C)CC(=O)Nc2cc(F)cc(C#N)c2)cc1 1624287056 GPAILCUENPVQAH-AWEZNQCLSA-N 324.399 4.953 30 20 DJED Cc1cc(C#N)ccc1CSc1nc2ccc(F)cc2s1 1641413151 WWNWZGIORCQOFC-UHFFFAOYSA-N 314.410 4.908 30 20 DJED Cc1cc(COc2ccc(C#N)c(C)c2)ccc1Br 1651956199 MHXLTVDDLYFXGQ-UHFFFAOYSA-N 316.198 4.517 30 20 DJED Cc1cc(CNc2ncc(C#N)cc2F)ccc1-c1ccccc1 1655401879 CMMXRXDPSIBERW-UHFFFAOYSA-N 317.367 4.680 30 20 DJED CC(C)[C@H]1CN(c2nc(Cl)c(C#N)s2)c2ccccc21 1655440560 IPKMPJBLFVQEDS-LLVKDONJSA-N 303.818 4.559 30 20 DJED CCC[C@H](C)[C@H]1CCCN1Cc1cc(Cl)ccc1OCC#N 1657782653 KASKTDZQNJIVCF-WMLDXEAASA-N 320.864 4.643 30 20 DJED CCN(Cc1cc(O)cc(Cl)c1)[C@@H](C)c1ccc(C#N)cc1 1658490281 RQCWMHILRMXZDO-ZDUSSCGKSA-N 314.816 4.500 30 20 DJED COc1ccc(C#N)cc1N[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 1658799640 HTDVHXQEBSFNFR-ATZDWAIDSA-N 320.436 4.951 30 20 DJED O=C(O)c1ccccc1NN=C1CCC[C@H](c2ccccc2)CC1 1776031207 SJGFPYQTSBDUPT-INIZCTEOSA-N 322.408 4.901 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1c(C)cccc1C 1776782975 BFSLXRFANBUXDS-QGZVFWFLSA-N 305.462 4.597 30 20 DJED N#Cc1ccc(CNc2ccccc2SC(F)(F)F)cc1 36934392 LLEZZQQJMAULSP-UHFFFAOYSA-N 308.328 4.782 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1c(C)cc(C)cc1C 43150614 NKWKGMQQQPSGQC-UHFFFAOYSA-N 314.454 4.893 30 20 DJED C[C@H](N[C@@H](c1ccc(F)cc1)C1CCC1)c1ccc(C#N)cc1 118397740 YKCHZUSMOKYMPT-VBKZILBWSA-N 308.400 4.889 30 20 DJED CCCCCCC[S@](=O)Cc1cccc(OC(F)F)c1 133285393 RJTJIHLVSGFSTL-HXUWFJFHSA-N 304.402 4.507 30 20 DJED O=C(/C=C/c1cnc(C2CCC2)s1)c1ccc(F)c(F)c1 157223353 IXTWTNNESASWHL-FNORWQNLSA-N 305.349 4.585 30 20 DJED CC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1cc(F)ccc1F 178176976 DHIWGJHGUVACRJ-KZULUSFZSA-N 300.352 4.638 30 20 DJED C=C(C)CN(C)Cc1cc(-c2c(OC)ccc3ccccc23)no1 181302410 FFXKSXVNUUSRES-UHFFFAOYSA-N 322.408 4.511 30 20 DJED Cc1ccc(Nc2ccc(C#N)c(Br)c2)cc1F 228176244 ZURMUIUZAFHWMY-UHFFFAOYSA-N 305.150 4.512 30 20 DJED Cc1cc(C)cc(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 303297116 LYFQEEPZYYDYGU-GQCTYLIASA-N 315.756 4.761 30 20 DJED CC(C)[C@@H]1CCC[C@H](Nc2ccc(C#N)c(Br)c2)C1 312034723 ZHCXWHHZSLOBCS-OCCSQVGLSA-N 321.262 4.947 30 20 DJED C[C@@H]1C[C@H](C(O)=Nc2cccc(NC3CCCC3)c2)CCC1=O 328957572 OCPHWLJVCCOBJN-ZIAGYGMSSA-N 314.429 4.634 30 20 DJED C[C@H](/N=C(/O)C1CCCC1)/C(O)=N/C[C@@H]1C[C@H]1C1CCCCC1 329338172 MVXBPZYECBIVDV-JQFCIGGWSA-N 320.477 4.695 30 20 DJED CC(C)[C@@H](C)/N=C(/O)c1cccc(NC(=O)C2CCCCC2)c1 330763036 IDJFBBWTGYNKQG-CQSZACIVSA-N 316.445 4.555 30 20 DJED C[C@@H](N[C@H](CCC#N)c1ccccc1)[C@@H]1C[C@H]1c1cccs1 417313166 VAYZWEXFUSYHPW-BZZMCLGOSA-N 310.466 4.875 30 20 DJED C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccncc1Cl 421837963 SUJZVUCELIPRGS-CYBMUJFWSA-N 315.804 4.591 30 20 DJED CCC[C@@H](C(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 430361998 VSLCVJJFEBPSIR-OAHLLOKOSA-N 312.800 4.734 30 20 DJED C=CC[C@H]1N(Cc2cnc([C@@H]3CCCO3)s2)CCCC1(C)C 446827039 LWQODOZHVGTQDL-JKSUJKDBSA-N 320.502 4.561 30 20 DJED CC[C@H](Nc1cccc(OC(F)F)c1)c1ccc(C#N)cc1 447588266 UMKJCQHULJUWCQ-INIZCTEOSA-N 302.324 4.723 30 20 DJED C=CCC(CC=C)C(=O)N(C)[C@@H](c1ccc(F)cc1)C(C)C 468142944 BCUHFSHUKHBEDK-GOSISDBHSA-N 303.421 4.750 30 20 DJED COc1ccc(Cl)cc1[C@H](CC(C)C)N[C@@H]1CC[C@H](C#N)C1 471599457 SJDVKEZYCUEKHL-LXZKKBNFSA-N 320.864 4.718 30 20 DJED CC(C)(C#N)CCCN(CCc1ccccc1F)C1CCCC1 472456401 WZNZPASTXNMBNM-UHFFFAOYSA-N 316.464 4.943 30 20 DJED CC(C)(NCc1ccc(CC#N)cc1)c1cccc(Cl)c1F 473430400 WZIIZZYUWBGSRB-UHFFFAOYSA-N 316.807 4.570 30 20 DJED CSc1cccc(NC(=O)C[C@@H](CC#N)c2ccccc2)c1C 476559412 JSAGLMXGNHMDJK-MRXNPFEDSA-N 324.449 4.743 30 20 DJED C=CCCC1(C(=O)Nc2sc(-c3ccccc3)nc2C)CC1 476662029 KYIJCAJEYURFRC-UHFFFAOYSA-N 312.438 4.803 30 20 DJED Cc1cccc(C)c1[C@H](C)NC(=O)C[C@H](CC#N)c1ccccc1 476689531 MHGGGEJSHLSZQA-HKUYNNGSSA-N 320.436 4.568 30 20 DJED FCCCCN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 509008360 MVCPQSLOGOALEG-NSHDSACASA-N 317.248 4.648 30 20 DJED C=CC[C@H](C)NC(=O)N[C@H](c1oc2ccccc2c1C)C(C)C 522664813 DKTDKPLVUVWFCK-GUYCJALGSA-N 314.429 4.702 30 20 DJED C=CCCC[C@H](C)NC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 538290179 PIZJZTPXBDPPMZ-KBPBESRZSA-N 308.853 4.787 30 20 DJED N#CCc1ccc(CN[C@@H](c2ccccc2)C2CCCC2)cc1 541281410 BUDWJXRMHBACBS-NRFANRHFSA-N 304.437 4.774 30 20 DJED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)CCCC2 556599878 BDQYRKOMXDEHPS-INIZCTEOSA-N 316.448 4.777 30 20 DJED C[C@@H](NC1(c2ccc(Cl)cc2)CCC1)c1cccc(C#N)c1 557367091 AEAQDAZVHWDMDV-CQSZACIVSA-N 310.828 4.942 30 20 DJED C=CCN(C(=O)CC1(C)CCCC1)c1nc2c(s1)CCCC2 570425762 FNLFGBHRBLIAQQ-UHFFFAOYSA-N 318.486 4.511 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N(C)c1cccc(C#N)c1 573389272 KDDCZIAXAFFYSX-DOTOQJQBSA-N 318.420 4.511 30 20 DJED CN(C(=O)CCCCCC#N)[C@@H]1CCCC[C@@H]1c1ccccc1 591311448 VABIPOFKPVJYEG-RTBURBONSA-N 312.457 4.645 30 20 DJED CSc1cc(Cl)ccc1NCCCC1(C#N)CCOCC1 594717295 ZSVLEZYFNFUNHH-UHFFFAOYSA-N 324.877 4.574 30 20 DJED C=CCCCCCN(C)C(=O)c1cc(Cl)cc2cccnc12 606815732 AJMJRKFOSIFLQZ-UHFFFAOYSA-N 316.832 4.707 30 20 DJED C=C(C)CN(CC)C(=O)[C@H](C)c1c(Cl)cccc1Cl 624841950 DISYXDVEWNHVIB-LLVKDONJSA-N 300.229 4.522 30 20 DJED CC(CCc1cccc(F)c1)=NNc1ccc(OC(F)F)cc1 726426879 KXGZAMDJVWDNGF-UHFFFAOYSA-N 322.330 4.848 30 20 DJED CCCCCC[C@@H](C)CC(=O)Nc1cccc(OCC#N)c1 727663663 HONCTFJRPZUSRW-OAHLLOKOSA-N 302.418 4.524 30 20 DJED CCCCCCCC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 732969992 AYEYSWVWYRYRIO-QGZVFWFLSA-N 309.400 4.989 30 20 DJED O=C(/C=C/c1c(F)cccc1F)c1cccc(-c2ccncc2)c1 741471970 DDWIYROHXOBUNC-BQYQJAHWSA-N 321.326 4.923 30 20 DJED COCc1cccc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)c1 742429719 WPGZUGGOXYKBMI-CMDGGOBGSA-N 320.310 4.748 30 20 DJED CCc1oc2ccccc2c1C=NNc1cc([N+](=O)[O-])ccc1C 747062509 YXKCAYKNDCEDNB-UHFFFAOYSA-N 323.352 4.658 30 20 DJED O=C1/C(=C\c2ccsc2)COc2c(Cl)ccc(Cl)c21 748583085 ARBOTFCYYXBWBE-UITAMQMPSA-N 311.189 4.714 30 20 DJED Cc1cc2cc(C(=O)/C=C\c3cccnc3Cl)oc2cc1C 749133176 WFFBAYIVGWOHBK-WAYWQWQTSA-N 311.768 4.994 30 20 DJED CC(C)Oc1ccccc1/C=C\C(=O)c1c[nH]c2cc(F)ccc12 749454068 VMOSFCGVQCWYGR-YFHOEESVSA-N 323.367 4.990 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C1\CC[C@H](C)C1 753570472 BXUWFCXPRQXFCE-CVCOIXHCSA-N 309.862 4.663 30 20 DJED Cc1ccc2cc(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)oc2c1 754825134 NRFYRMFUNSXTNY-VURMDHGXSA-N 307.305 4.546 30 20 DJED C#CC[C@@H](NCc1cccc(OC2CCCC2)c1)c1ccccc1 756997092 UXYZBESPKXKGJV-JOCHJYFZSA-N 319.448 4.862 30 20 DJED C[C@H](CCCC(F)(F)F)Nc1ccccc1O[C@H](C)C#N 775547871 QXJQHOODJOPXQO-VXGBXAGGSA-N 300.324 4.510 30 20 DJED COc1ccc(/C=C\C(=O)c2cccc(F)c2F)c(Cl)c1 776268906 WCBQTDWFSSKHRB-VURMDHGXSA-N 308.711 4.523 30 20 DJED O=C(/C=C\c1cc(F)c(O)c(F)c1)c1cc2ccccc2s1 780189308 ZGIGYMPFUWTFCH-WAYWQWQTSA-N 316.328 4.781 30 20 DJED C=CC[C@H](C(=O)O[C@H](C)c1ccc(Cl)cn1)c1ccccc1 781710452 XFLQFPJZLQINPA-CJNGLKHVSA-N 315.800 4.699 30 20 DJED O=C1/C(=C\c2csc3ccccc23)Cc2nc(Cl)ccc21 806579983 XYSIUXTYDDILLU-YFHOEESVSA-N 311.793 4.772 30 20 DJED C#CCCc1noc(/C(C)=C/c2c(Cl)cccc2Cl)n1 809397033 JSJVQSVKICJGGA-MDZDMXLPSA-N 307.180 4.503 30 20 DJED C=CCCCCCCCNC1CCC(c2nc(C)no2)CC1 813873637 NDAQYYNXACEKMZ-UHFFFAOYSA-N 305.466 4.520 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCCCC1(C#N)CCC1 929757563 SYAPEOYRWCCVKA-UXHICEINSA-N 321.468 4.622 30 20 DJED C#Cc1cccc(NC(=S)Nc2c(C)cc(Cl)cc2C)c1 1116371584 REWLNKJTOJTOIM-UHFFFAOYSA-N 314.841 4.747 30 20 DJED Cc1ccc2sc(CSc3ccc(C#N)cc3F)nc2c1 1188823775 WTWHGBCALWKKLT-UHFFFAOYSA-N 314.410 4.908 30 20 DJED COc1ccc(CSCc2ccc(C#N)s2)cc1Cl 1189288524 GEHNSYIAMYMVSH-UHFFFAOYSA-N 309.843 4.715 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCc2cccc(Cl)c2C1 1195015143 SKYQWCPBBUARJZ-UHFFFAOYSA-N 324.855 4.699 30 20 DJED Cc1ccc2sc(C(=O)Nc3cccc(CC#N)c3)cc2c1 1272973249 RYCSBKUXOFQQJU-UHFFFAOYSA-N 306.390 4.528 30 20 DJED CC(C)c1ccccc1Nc1ccc(C(=O)N[C@H](C)CC#N)cc1 1293253350 LFQFONBAKDGVJQ-OAHLLOKOSA-N 321.424 4.586 30 20 DJED CC[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccc(F)cc1 1326849485 PUTMTBUYCFDJEF-SFHVURJKSA-N 324.399 4.508 30 20 DJED C=C(C)C(C)(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)o1 1333128329 SQNNYMLVGHDEFO-NSHDSACASA-N 306.793 4.717 30 20 DJED CC[C@@H](OC(=O)c1cc(C#N)ccn1)c1ccc(C(C)(C)C)cc1 1358022803 MMCYRKIQSCPMNB-GOSISDBHSA-N 322.408 4.559 30 20 DJED Cc1c([C@H](C)OC(=O)c2ccc(F)c(C#N)c2)oc2ccccc12 1458948556 JDGNIFJTXKJOLQ-LBPRGKRZSA-N 323.323 4.670 30 20 DJED CC(C)(C)C[C@H]1CCN(C(=O)Nc2sccc2C#N)C1(C)C 1476829055 NELDRBVCVAHWON-CYBMUJFWSA-N 319.474 4.688 30 20 DJED N#Cc1cccc(CN(CCc2ccc(Cl)cc2)CC2CC2)c1 1559535867 CPKYDURHZYPVRO-UHFFFAOYSA-N 324.855 4.666 30 20 DJED C[C@H]1C[C@H](c2ccccc2)C[C@H](NCCc2ccc(C#N)cc2)C1 1560530243 BJBOEFOCEKAGEA-BULFRSBZSA-N 318.464 4.663 30 20 DJED CCSc1cccc(NC(=O)Nc2cccc(CC#N)c2)c1 1562816661 DZRDZFRTWZCDJS-UHFFFAOYSA-N 311.410 4.509 30 20 DJED COc1ccc(Cl)cc1[C@H](CC(C)C)NCC1(CC#N)CC1 1645072216 IAGDSYLXXNDSRI-INIZCTEOSA-N 320.864 4.719 30 20 DJED C[C@@H](C#N)N(CCC1CCC1)Cc1cccc(C(F)(F)F)c1 1646330717 OCCAJVDSCDEVIG-ZDUSSCGKSA-N 310.363 4.610 30 20 DJED Cc1nc(NCc2cccc(Oc3ccccc3)c2)ccc1C#N 1650629446 CONYRQVTSPMMNR-UHFFFAOYSA-N 315.376 4.666 30 20 DJED Cc1oc2ccccc2c1CNc1nc(C(C)(C)C)ccc1C#N 1651719179 IPWDTUGGYYUIGK-UHFFFAOYSA-N 319.408 4.918 30 20 DJED CCC(CC)CN(C/C=C\c1ccc(F)c(F)c1)CCC#N 1658348488 XJVBYVPUTLMVSS-ALCCZGGFSA-N 306.400 4.630 30 20 DJED C[C@@H](CC(C)(C)C#N)NCCc1cccc(-c2ccccc2)c1 1659725601 VKSUIWBAHKOYOI-KRWDZBQOSA-N 306.453 4.814 30 20 DJED CCCCCCCC[C@H](C)C(=O)Nc1ccccc1C(=O)O 1776786070 IKCCOFFLZDBHOY-AWEZNQCLSA-N 305.418 4.710 30 20 DJED C=CCOc1cccc(NC(=O)c2cc(SC)ccc2C)c1 65749482 ZFJJZCDUIIEMLF-UHFFFAOYSA-N 313.422 4.534 30 20 DJED COc1cccc2cc(/C=C/C(=O)c3ccc(F)cc3F)oc12 69124178 BCPRWDUBQHWNLP-SOFGYWHQSA-N 314.287 4.616 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(OC(C)C)cc2)cc1F 71802186 RLMIIBWYVHPFKK-ONNFQVAWSA-N 314.356 4.518 30 20 DJED Cc1ccccc1-c1noc([C@@H](C)Sc2ccc(C#N)cc2)n1 74453886 GTABOFSOFFEXBN-CYBMUJFWSA-N 321.405 4.770 30 20 DJED C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(F)cc1F 90665885 DYBFEQBJPGHXTD-SCLBCKFNSA-N 300.352 4.660 30 20 DJED N#Cc1ccc(N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1Cl 160645864 POWAHUJXJCSDOP-AEFFLSMTSA-N 312.800 4.544 30 20 DJED C=C(Cl)CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 160989543 XYJQPYCEKCDEFF-UHFFFAOYSA-N 317.660 4.566 30 20 DJED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ncc(-c2ccccc2)o1 174358757 HOVSHWVAGOWLCY-CABCVRRESA-N 317.392 4.625 30 20 DJED C[C@H](c1nc2ccccc2s1)N(C)CC(C)(C)CCC#N 179734850 IEOCOLPFJUFCQO-CYBMUJFWSA-N 301.459 4.619 30 20 DJED CCCCCC[C@H](C)C(=O)Nc1ccccc1O[C@H](C)C#N 182054394 ZQXAMKUMLGUTES-LSDHHAIUSA-N 302.418 4.522 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1ccc(Cl)cc1Cl 187517888 YFPUUCKEZDYZFJ-UHFFFAOYSA-N 313.228 4.538 30 20 DJED CC(C)[C@@](C)(NCCCCC#N)c1ccc(Br)cc1 192373896 GTSIOEPGNMCKCG-MRXNPFEDSA-N 323.278 4.604 30 20 DJED CCC(CC)[C@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1 195611720 LCNQPSCCIYITLG-FQEVSTJZSA-N 320.436 4.660 30 20 DJED Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)c1cccc(F)c1 205795549 UMFAIJHDMILQPB-QXMHVHEDSA-N 320.367 4.524 30 20 DJED CC(C)(CCC#N)CNCC1(c2ccc(Cl)cc2)CCC1 236817317 KFMDZRZIYRWCDM-UHFFFAOYSA-N 304.865 4.681 30 20 DJED O=C(/C=C\c1cncs1)c1ccc(OCc2ccccc2)cc1 255496366 JKZSWYGBXLBKQZ-KHPPLWFESA-N 321.401 4.618 30 20 DJED Cc1ncsc1CCNc1ccccc1S[C@@H](C)CC#N 285180225 NOPOZXHNSCTUHM-LBPRGKRZSA-N 317.483 4.500 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)CC(C)(C)C1CC1 294073177 LGFFUIHRWOXYDY-CYBMUJFWSA-N 316.470 4.846 30 20 DJED Cc1nc([C@@H](C)Nc2cccc(OCCCC#N)c2)c(C)s1 314443624 INWZBWGMQNTXGI-GFCCVEGCSA-N 315.442 4.616 30 20 DJED CCC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 325117270 ORYMBIHQLOLIFT-LIRRHRJNSA-N 323.396 4.658 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1coc2ccccc12 340423516 DUCDZGQFVYCPBT-FQEVSTJZSA-N 316.404 4.862 30 20 DJED C[C@@H]1C[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)c2ccccc21 341681596 HBDZVKWAWLOUHF-IFZYUDKTSA-N 302.421 4.774 30 20 DJED CC[C@@H](Nc1ccc(N2CCCCC2)nc1)c1ccc(C#N)cc1 447596615 QJKIDBWVHNJVNM-LJQANCHMSA-N 320.440 4.507 30 20 DJED CC1(C#N)CCC(N[C@@H](CC(F)(F)F)c2ccccc2)CC1 449090940 OQUATHFFJMSSRX-PCKAHOCUSA-N 310.363 4.742 30 20 DJED Cc1c(NC(=O)[C@H](C)c2cccc(C#N)c2)sc2c1CCCC2 462148320 BOSHNMNTHIYDGY-GFCCVEGCSA-N 324.449 4.549 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1ccc(Sc2ccncc2)cc1 467981349 FUOUBKODNTXXBS-SFHVURJKSA-N 312.438 4.774 30 20 DJED CC[C@H]1CCCC[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 475372330 VAPPZKINDLVMNL-OALUTQOASA-N 312.457 4.512 30 20 DJED C=CCC[C@@H](CC)N[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 483668869 LVYOBBQPOLKFRQ-UKRRQHHQSA-N 317.408 4.580 30 20 DJED CC(C)Oc1ccccc1NCc1ccccc1C(C)(C)C#N 486454202 XYWVYWOUDPYZKD-UHFFFAOYSA-N 308.425 4.887 30 20 DJED C=C[C@H](CC(=O)N[C@H](C)CCCC(F)(F)F)c1ccccc1 494900543 KALWIHXHDKISIV-ZIAGYGMSSA-N 313.363 4.584 30 20 DJED CC(C)C[C@](C)(C#N)NC(=O)c1ccc(Oc2ccccc2)cc1 502474467 CHSXHQHNASCKKS-HXUWFJFHSA-N 322.408 4.537 30 20 DJED CC(C)CCN(CCC#N)Cc1cccc(-c2cccnc2)c1 513729411 PDWKRYRVMMVDAF-UHFFFAOYSA-N 307.441 4.510 30 20 DJED N#Cc1ccc2[nH]c(-c3ccc(-c4ccccc4F)o3)nc2c1 513857748 PQCVMDXMWLLNRZ-UHFFFAOYSA-N 303.296 4.501 30 20 DJED C[C@H](NCC1(c2ccc(Cl)cc2)CC1)c1cccc(C#N)c1 540594895 HKYQFDKAKSFHIH-AWEZNQCLSA-N 310.828 4.594 30 20 DJED C=CCCCN[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 543515522 XTJLFTRHUPILPP-LBPRGKRZSA-N 304.434 4.874 30 20 DJED N#Cc1ccc(Oc2nc3cc(F)ccc3o2)c2ccccc12 549302144 TYFCORDQXZEUMM-UHFFFAOYSA-N 304.280 4.784 30 20 DJED C[C@H](CCSc1ccccc1)N1CCC(CCC#N)CC1 563066139 JYHCUEJDDGEXEN-MRXNPFEDSA-N 302.487 4.573 30 20 DJED C=CCC(C)(C)CN[C@@H](C)CC(=O)Nc1ccc(C)cc1Cl 575819709 FHJGULSAOXEAFB-AWEZNQCLSA-N 322.880 4.557 30 20 DJED N#CCCCOc1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1 580100846 TUROAOKKSSZDDQ-UHFFFAOYSA-N 311.772 4.566 30 20 DJED CCOc1ccc(C=NOCc2ccc(C(F)F)cc2)cc1 588461338 ADZYMHKZTMOOBH-UHFFFAOYSA-N 305.324 4.574 30 20 DJED N#CCCCCCC(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 591095769 IBGZMNITSOMBTJ-NVXWUHKLSA-N 318.848 4.566 30 20 DJED CCC[C@H](C)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 603638571 DXPVBWKHGZJUTI-HNNXBMFYSA-N 322.408 4.512 30 20 DJED CC[C@H](Nc1nc(C(C)(C)C)ccc1C#N)c1nc(C)cs1 613420793 ULHZZAYRNZMCTM-ZDUSSCGKSA-N 314.458 4.579 30 20 DJED C=CCN(Cc1ccc(OC)cc1)Cc1ccc(SC)cc1 614352638 PXXSTCJHJNCVHF-UHFFFAOYSA-N 313.466 4.605 30 20 DJED C=CCC(C)(C)c1noc([C@@H](C)OCc2ccc(C)cc2)n1 624633598 QYIDLIOZXSTWAK-CQSZACIVSA-N 300.402 4.510 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C\c1cccc(C(F)(F)F)c1)C2 730948267 ASOINJDNUWSZDH-ZSOIEALJSA-N 302.295 4.836 30 20 DJED CC(=NNc1cccc(C(F)(F)F)n1)c1ccc(C)c(C)c1 739422555 ZMCRKEYYXHVKPS-UHFFFAOYSA-N 307.319 4.553 30 20 DJED COc1ccc(/C=C\C(=O)c2c[nH]c3ccccc23)cc1Cl 741468930 XVNZGPDGHRYASR-VURMDHGXSA-N 311.768 4.726 30 20 DJED Cc1ccc(/C=C\C(=O)c2oc3ccccc3c2C)cc1[N+](=O)[O-] 747141234 WOTGGZIMZFUACF-KTKRTIGZSA-N 321.332 4.854 30 20 DJED COc1cc(C(C)=NNc2cccc(Cl)c2)ccc1SC 747602535 NMTMSWQILCQPLU-UHFFFAOYSA-N 320.845 4.907 30 20 DJED CC(C)N(CCCCC(C)(C)C#N)Cc1ccc(N(C)C)cc1 769708105 JWRJCYULBVNOBO-UHFFFAOYSA-N 315.505 4.683 30 20 DJED C[C@@H](C#N)Oc1ccccc1N[C@@H](C)c1cc2ccccc2o1 780746396 ZQKYIONLNYMOQZ-KBPBESRZSA-N 306.365 4.897 30 20 DJED CCOc1ccc(C(=O)/C=C\c2ccc3cnccc3c2)cc1 782303661 NTAGNFPNFBECCX-WMZJFQQLSA-N 303.361 4.530 30 20 DJED Cc1cc(/C=C\C(=O)c2ccc(F)c(F)c2)cc2cccnc12 783699105 FUFBOTRFPKFOBN-DAXSKMNVSA-N 309.315 4.718 30 20 DJED CC(C)(CC(=O)Nc1cccc(OCC#N)c1)C1CCCCC1 793088899 RDTFIPYSXRIYQR-UHFFFAOYSA-N 314.429 4.524 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc(C(F)F)cc2)cc1[N+](=O)[O-] 794932071 SYUMSDPMUGENCK-UITAMQMPSA-N 317.291 4.737 30 20 DJED C#CCC1(C(=O)N[C@@H](C)c2ccc(SC)cc2)CCCCC1 798570671 GXEXDWIEIKLEQD-HNNXBMFYSA-N 315.482 4.560 30 20 DJED C#CC[C@H](N[C@@H]1CCCc2c1[nH]c1ccccc21)c1ccccc1 808708554 MXMVTBIIFLNUDU-PZJWPPBQSA-N 314.432 4.900 30 20 DJED N#Cc1c(F)cccc1/C=C/C(=O)c1cccc2ccccc12 811684740 CNRVGLXBOXOSPD-VAWYXSNFSA-N 301.320 4.747 30 20 DJED COc1cc(Cl)ccc1C(=O)/C=C\c1scnc1C1CC1 817346358 NSZJJSRFPOFUMS-SREVYHEPSA-N 319.813 4.579 30 20 DJED CC[C@H](CC(C)C)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 835144227 CICPTHKDXXCQOF-YPMHNXCESA-N 318.417 4.684 30 20 DJED CCCCCCCCCCC(=O)N[C@@H]1C[C@@H](C)n2ccnc21 836952574 BPQPZUYVTGQEBQ-HZPDHXFCSA-N 305.466 4.536 30 20 DJED O=C(c1coc2ccccc12)N(O)Cc1cccc2ccccc12 901370119 RRGVNZMIOCEBMH-UHFFFAOYSA-N 317.344 4.618 30 20 DJED Cc1cc(/C=C/C(=O)c2ccccc2F)cc(C)c1OC(F)F 916135744 NRJBIVILKFCJKG-BQYQJAHWSA-N 320.310 4.940 30 20 DJED CC(=NNc1ccc(C)cc1)c1ccc(Br)s1 916250229 REKNNBRYJJYUEN-UHFFFAOYSA-N 309.232 4.655 30 20 DJED Cc1ccc2c(C=NNc3nccc4sccc34)c[nH]c2c1 917545073 MPUYAMMOTHXWJH-UHFFFAOYSA-N 306.394 4.532 30 20 DJED CC[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1-c1ccccc1C#N 1127157369 TXPCAEWIFQHPHS-QRWLVFNGSA-N 318.420 4.534 30 20 DJED Cc1ccc([C@H]2CCC[C@H]2OC(=O)c2cccc(CC#N)c2)cc1 1128223418 VTYOVLQLGCWIRF-WOJBJXKFSA-N 319.404 4.554 30 20 DJED CC[C@H]1CN(CCc2ccc(C#N)cc2)CC[C@H]1c1ccccc1 1167601581 DUMWLADVYSETOF-RBBKRZOGSA-N 318.464 4.616 30 20 DJED CN(C(=O)Nc1ccc(F)cc1C#N)c1cccc2ccccc12 1215564759 GJIWIXRHFJJCQB-UHFFFAOYSA-N 319.339 4.519 30 20 DJED N#Cc1cc(NC(=O)CCC2CCCCCC2)c(F)cc1F 1288003368 OENBPAOCFMUFHI-UHFFFAOYSA-N 306.356 4.526 30 20 DJED N#Cc1c(CSCc2ccc(Cl)cc2)cn2ccccc12 1307257386 DUBADEVDJNIDBT-UHFFFAOYSA-N 312.825 4.898 30 20 DJED N#C[C@@H](C(=O)c1ccsc1C(F)F)c1nc(C2CC2)cs1 1343755085 KQANBFUCIUXCMG-VIFPVBQESA-N 324.377 4.510 30 20 DJED C[C@H]1CCCC[C@H]1CC(=O)N(c1ccccc1C#N)C1CCC1 1461560401 SFPNMMDCIXLPQF-HOTGVXAUSA-N 310.441 4.660 30 20 DJED Cc1c(Cl)ccc2c1N(Cc1cccc(C#N)c1F)CCC2 1473240588 RMEUJQFCTNYSOR-UHFFFAOYSA-N 314.791 4.612 30 20 DJED CCc1nc(C#N)cc(N[C@H](c2ccc(C(C)C)cc2)C(C)C)n1 1559055694 ZCVVYTQJBUULEN-FQEVSTJZSA-N 322.456 4.843 30 20 DJED CC(C)c1ccc(O[C@H](C)CNc2cccc(F)c2C#N)cc1 1559186904 ZCJXKKVTXLKJLC-CQSZACIVSA-N 312.388 4.700 30 20 DJED Cc1cc(C#N)ccc1CSc1nc2cc(Cl)ccc2o1 1613230285 ICGFEUMPSXWQGK-UHFFFAOYSA-N 314.797 4.954 30 20 DJED N#Cc1cccc(Nc2cccc(-c3ccc(F)c(F)c3)c2)n1 1639912465 URVAXEYBMVDUBN-UHFFFAOYSA-N 307.303 4.642 30 20 DJED Cc1ccc(C)c([C@H]2CCCN2Cc2ccc(C#N)c(C)c2)c1 1651848028 NABLRMNRZXQBAV-OAQYLSRUSA-N 304.437 4.821 30 20 DJED Cc1cn2c(/C=C/C(=O)c3ccc(Cl)cc3)c(C)nc2s1 58452733 IMJFBTWQBGCVLO-BQYQJAHWSA-N 316.813 4.562 30 20 DJED C[C@H](c1ccccc1Cl)N(Cc1ccccc1C#N)C1CC1 59333935 MBSYEUZSULNIAR-CQSZACIVSA-N 310.828 4.937 30 20 DJED C=CCOc1ccc(CNCc2cccc(C(F)(F)F)c2)cc1 98078522 JKEODOSPUOWVLS-UHFFFAOYSA-N 321.342 4.560 30 20 DJED CS[C@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 172375245 RAJDSRNHROQXKP-KRWDZBQOSA-N 324.449 4.531 30 20 DJED COc1c(C)ccc(NCc2cccc(OCCCC#N)c2)c1C 178798807 MBTXUQORSKDIKO-UHFFFAOYSA-N 324.424 4.607 30 20 DJED CSc1ccc(C(=O)/C=C\c2ccccc2OC(F)F)cc1 206086704 JRHCSTRMMFBHBM-FLIBITNWSA-N 320.360 4.906 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccc(N3CCCCC3)cc2)s1 255469717 RDVILSVTITUZKY-POHAHGRESA-N 322.433 4.506 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2cccc(Cl)c2Cl)s1 255909662 YEEYVUUIWVMQIF-SREVYHEPSA-N 308.189 4.823 30 20 DJED C[C@H](N[C@@H](C)c1ccccc1OC(F)F)c1ccc(C#N)cc1 268808246 MYZAPFTVAGSQEC-STQMWFEESA-N 316.351 4.571 30 20 DJED C[C@H](Nc1ccc(Cl)c(C#N)n1)c1c(F)cccc1Cl 301492036 OTIGOGPOJBHSGU-QMMMGPOBSA-N 310.159 4.572 30 20 DJED CC(C)(C)[C@@H](Nc1snc(Cl)c1C#N)c1ccccc1 301965374 UNYNWHRAFIJTRQ-LBPRGKRZSA-N 305.834 4.867 30 20 DJED Cc1cc(CN[C@H](CCC#N)c2ccccc2)cc2cccnc12 344300060 ICHOBXSQGKKBRS-HXUWFJFHSA-N 315.420 4.678 30 20 DJED CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1ccc(C#N)cc1Cl 426149275 NBGFTMVBQAVEBJ-LRDDRELGSA-N 319.836 4.644 30 20 DJED CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1SCCC#N 448936074 CZEVJTVJJLPLQE-HUUCEWRRSA-N 316.470 4.847 30 20 DJED C=CCC1(NC(=O)C2CCC(C(F)(F)F)CC2)CCCCC1 456376538 ZWSZJAXJRGAIGW-UHFFFAOYSA-N 317.395 4.750 30 20 DJED Cc1c(C(=O)N[C@H](C#N)C(C)(C)C)oc2c1ccc1ccccc12 464706433 DOANHDQPEYYVDN-MRXNPFEDSA-N 320.392 4.563 30 20 DJED C=CCCN(C)C(=O)Nc1c(F)cc(F)cc1-c1ccccc1 466559359 OHRMODRDQNQVLJ-UHFFFAOYSA-N 316.351 4.672 30 20 DJED CN(Cc1cccc(C#N)c1)C(=O)CC(C)(C)C1CCCCC1 474701642 MSSSUDJGRQULLJ-UHFFFAOYSA-N 312.457 4.513 30 20 DJED C=CCCC1(C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)CC1 475521093 LTIOBGMNRZZWLO-UHFFFAOYSA-N 324.251 4.625 30 20 DJED N#Cc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 479075329 AVVMRIBJLYJLAT-UHFFFAOYSA-N 312.328 4.710 30 20 DJED C=C(C)[C@H](NCc1cccc(F)c1F)c1ccc(F)c(F)c1 479404376 DDYNAOBKLTZJDN-KRWDZBQOSA-N 309.306 4.650 30 20 DJED C=CCCCC(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 479534377 WADDAJRNHBBUPV-QGZVFWFLSA-N 307.437 4.680 30 20 DJED C=C(C)[C@@H](N[C@H](C)c1ccc(Cl)cn1)c1ccc(F)c(F)c1 480676849 OWDSVGXJTYJMTM-PIGZYNQJSA-N 322.786 4.981 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1 487562477 QUJGQCRFJMFZBM-MRXNPFEDSA-N 317.335 4.586 30 20 DJED N#CCN(Cc1ccc(-c2ccccc2Cl)s1)C1CC1 534348813 WGDQLSYRIUKTNE-UHFFFAOYSA-N 302.830 4.556 30 20 DJED C=CCCC[C@@H](C)NC(=O)N1CCc2sccc2[C@@H]1CC 538367012 VVRDDPXUCIOAKH-HIFRSBDPSA-N 306.475 4.512 30 20 DJED C=CCC[C@H](C(=O)Nc1cccc2ocnc12)c1ccccc1 560114964 IHWLUNDKNOCSLU-HNNXBMFYSA-N 306.365 4.516 30 20 DJED N#CCC1(COc2c(Cl)cc(Cl)c3cccnc23)CC1 596283627 ZQOUVZPUDXENII-UHFFFAOYSA-N 307.180 4.614 30 20 DJED Cc1cnn(CCCCCSc2ccc(Cl)cc2C#N)c1 610654581 BTWFASZRPXQUGT-UHFFFAOYSA-N 319.861 4.679 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(Cl)cc1 615373485 UPEQZDHBUSVFFF-UHFFFAOYSA-N 318.779 4.699 30 20 DJED C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1cccc(Cl)c1 619746707 JNOOWXPZVSRSPF-LLVKDONJSA-N 305.208 4.716 30 20 DJED C=CC[C@@H]1CCCN(C(=O)Nc2cccc(SC)c2C)C1 666556873 OFLBPJGMDHLCSB-CQSZACIVSA-N 304.459 4.537 30 20 DJED O=C(/C=C\c1cccnc1Cl)c1ccc(Cl)c(Cl)c1 726363139 FBMQWJYWPAKIQH-XQRVVYSFSA-N 312.583 4.938 30 20 DJED C=CCN(C(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(C)C 728869122 WPVJQSZUCXDSBA-UHFFFAOYSA-N 311.212 4.511 30 20 DJED CCc1ccc(/C=C\C(=O)c2c[nH]c3ccc(OC)cc23)s1 734306905 IOVGTZHSOBDQJX-CLFYSBASSA-N 311.406 4.697 30 20 DJED CCCCCC[C@](C)(CC)C(=O)NCc1cc(C#N)ccc1F 742732757 BRZTWDYRVFTZSH-IBGZPJMESA-N 318.436 4.700 30 20 DJED CC(C)=C(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 751361120 RFBFZKYDJCTRCO-UHFFFAOYSA-N 306.365 4.645 30 20 DJED CCCOc1ccc(C=NOc2ccccc2C(F)(F)F)cc1 754722380 CTMUBQTTWZITOE-UHFFFAOYSA-N 323.314 4.907 30 20 DJED Cc1ncsc1/C=C1\CCOc2ccc(C(C)C)cc2C1=O 767736408 KJGQCCNJYDDVPK-NTEUORMPSA-N 313.422 4.624 30 20 DJED CC(C)(C#N)CCCCOC(=O)c1cccc(-c2ccoc2)c1 768820583 UIRAMNXGUKNWJN-UHFFFAOYSA-N 311.381 4.823 30 20 DJED C#CCCCCCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 777211457 ZVMMZUOGBIQHFJ-NJDAHSKKSA-N 323.480 4.755 30 20 DJED Cc1ccc(N[C@H](C)c2ccc(C#N)c(F)c2)c2cccnc12 777622054 SMOMLBDNYUCPSU-CYBMUJFWSA-N 305.356 4.727 30 20 DJED O=C(/C=C/c1scnc1C1CC1)c1ccccc1OC(F)F 782305581 KBGZISVNKBJADB-BQYQJAHWSA-N 321.348 4.518 30 20 DJED CC(=NNc1cccc2ccccc12)c1cnn(C(C)C)c1C 787154632 XOWBXPVPWRBOAQ-UHFFFAOYSA-N 306.413 4.762 30 20 DJED C=CC[C@@H](CC)NC(=S)Nc1ccc(SC(F)F)cc1 798375978 QIVBJUSOXFHSGB-SNVBAGLBSA-N 316.442 4.642 30 20 DJED N#CCCCCCC(=O)Nc1ccc(-c2ccccc2)cc1F 805162281 SBDXIZCKNIECEE-UHFFFAOYSA-N 310.372 4.905 30 20 DJED Clc1ccccc1CC(=NOCCC1CC1)c1ccoc1 814941684 QQBXNCHMLWAIOJ-UHFFFAOYSA-N 303.789 4.697 30 20 DJED O=C1/C(=C\c2cccc(F)c2)CC/C1=C\c1cccc([N+](=O)[O-])c1 818238163 HTFOFBMBJINPIH-CKOAPEAFSA-N 323.323 4.564 30 20 DJED COc1cc(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)ccc1O 917516786 FOPZOJMNRRIUOV-DUXPYHPUSA-N 323.175 4.604 30 20 DJED C=CCN(C(=O)CCCc1ccc(Cl)c(Cl)c1)C(C)C 917659087 OFSMQXFUPCOLBB-UHFFFAOYSA-N 314.256 4.739 30 20 DJED CCCC[C@@H](CC)CC(=O)Nc1cc(C#N)ccc1NCCC 1293651773 XMBCRGCJXDGZJU-OAHLLOKOSA-N 315.461 4.925 30 20 DJED Cc1cc(C#N)ccc1CN1C[C@H](c2ccccc2C)C[C@H]1C 1307488600 GIZYEUMTUNZRLD-YLJYHZDGSA-N 304.437 4.553 30 20 DJED CC(C)(C)C1CCC(CC(=O)Nc2cccc(CC#N)c2)CC1 1436285744 XUINQIRJSHYXKA-UHFFFAOYSA-N 312.457 4.934 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)c2cc3c(s2)CCCCCC3)C1 1436650254 WXGRIFMGPYZXHV-HIFRSBDPSA-N 317.454 4.646 30 20 DJED C=C(CNC(=O)C(CC)(CC)c1ccccc1)c1ccccc1 1460680724 LIYDPNPLQZIVDJ-UHFFFAOYSA-N 307.437 4.574 30 20 DJED CCCCC1CCC(CNC(=O)[C@@]2(C#N)CC23CCCC3)CC1 1528187707 YWIQMLAGZBHGQH-UHYCVJNDSA-N 316.489 4.573 30 20 DJED Cc1c(C#N)cccc1C(=O)Nc1ccc(OCCC(C)C)cc1 1532619889 IOFZNGKYYRXEEK-UHFFFAOYSA-N 322.408 4.544 30 20 DJED CC(C)[C@H](C)C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1543197290 VTKRYALMHOZLKL-AWEZNQCLSA-N 324.449 4.940 30 20 DJED COc1cc(C#N)ccc1CN(c1ccc(F)cc1)C1CCCC1 1559624723 AIDPMPCJJYJUCR-UHFFFAOYSA-N 324.399 4.655 30 20 DJED N#CC1(CN[C@@H]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CCC1 1560890891 TWFZCFKDMLWCNP-XJKSGUPXSA-N 323.267 4.913 30 20 DJED N#C[C@H]1CCC[C@H](OC(=O)C2(c3cccs3)CCCCC2)C1 1584703415 QXLAXNPYUBQZCC-GJZGRUSLSA-N 317.454 4.576 30 20 DJED CC(C)c1cc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c2ccccc2n1 1584703780 YDDLQIMXLIOYLU-CABCVRRESA-N 322.408 4.597 30 20 DJED C[C@H](c1ccccc1)N(Cc1ccccc1)CC1(CC#N)CC1 1645851383 KUVCJRVTDXDLGF-GOSISDBHSA-N 304.437 4.944 30 20 DJED CCN(CCc1ccc(Cl)cc1)[C@@H](C)c1ccc(C#N)cc1 1652328657 DQDLILLNBDBDMR-HNNXBMFYSA-N 312.844 4.837 30 20 DJED CCC1(CC)CN(Cc2ccc(C#N)cc2OC)c2ccccc21 1653838115 XWRPGBKBKLPPDP-UHFFFAOYSA-N 320.436 4.645 30 20 DJED C[C@@H]1C[C@H]1[C@@H](Nc1ncc(C#N)cc1F)c1ccc(Cl)cc1 1655135842 NGASGZOLXJICIF-HQQWDMGQSA-N 315.779 4.555 30 20 DJED CC(C)c1ccc(CCN[C@@H]2CCCc3cc(C#N)ccc32)cc1 1658371140 RGDGFEWFWUMIPR-JOCHJYFZSA-N 318.464 4.891 30 20 DJED C[C@H](CC1CCCCC1)NC(=O)Nc1ccc(C#N)c(Cl)c1 1666711882 UEOZLRIWGRNEPM-GFCCVEGCSA-N 319.836 4.692 30 20 DJED O=C(O)c1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1F 1776114696 XUHNULAEQDVSOU-PKNBQFBNSA-N 320.319 4.573 30 20 DJED CC(C)(C)c1ccc(/C=C\C(=O)c2csc(C(=O)O)c2)cc1 1776272520 WEQRQJRKSWOUKV-TWGQIWQCSA-N 314.406 4.640 30 20 DJED O=C(/C=C/c1cccs1)c1ccc(-c2ccc(C(=O)O)o2)cc1 7910778 MQFGJWGBYRBOKS-BQYQJAHWSA-N 324.357 4.602 30 20 DJED CC(C)c1ccc(CN(C(=O)c2sccc2C#N)C2CC2)cc1 52029224 WMJKHSBXCRDERC-UHFFFAOYSA-N 324.449 4.548 30 20 DJED C=CCSc1nnc(-c2ccccc2Cl)n1C1CCCC1 58044380 ZTQQFKANVQUPCX-UHFFFAOYSA-N 319.861 4.992 30 20 DJED CCC[C@H](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N 66800805 LCCBLDXNPHCNKL-KBPBESRZSA-N 304.459 4.846 30 20 DJED OC(=Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@H]1CCCCS1 329341363 SBXPFXLBEYZKBN-OAHLLOKOSA-N 315.442 4.704 30 20 DJED C=CC[C@@H](CC)NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 410118627 PNJLMMDTLCRJON-ZYHUDNBSSA-N 300.229 4.568 30 20 DJED COc1cc(Cl)ccc1[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 421824967 LDTIEVNQQJPAAF-CHWSQXEVSA-N 314.816 4.632 30 20 DJED Cc1ccccc1[C@@H](NCc1ccc(C#N)cc1Cl)C1CC1 439448510 HEIHSMABYQCGQI-IBGZPJMESA-N 310.828 4.761 30 20 DJED N#Cc1ccccc1/C=C/c1nc(-c2coc3ccccc23)no1 445579549 OKJKPPYQTXSJGN-MDZDMXLPSA-N 313.316 4.525 30 20 DJED CC[C@@H](Nc1cc(Cl)ccc1OC)c1ccc(C#N)cc1 447600138 ZNWJHKFPHVPVNW-OAHLLOKOSA-N 300.789 4.783 30 20 DJED CCCC[C@@H](CC)C(=O)Nc1ccccc1SCCC#N 463947503 GLMPJIWUSDPOHC-CQSZACIVSA-N 304.459 4.847 30 20 DJED C=CC[C@@H](CC)NC(=O)N1CCC[C@H]1c1cccc(Cl)c1 466326497 SHJRQGVUZDPCGK-CVEARBPZSA-N 306.837 4.541 30 20 DJED Cc1cccc(C)c1Oc1ccccc1NC(=O)N[C@H](C)CC#N 480820824 GICBQYAAXSIISA-OAHLLOKOSA-N 323.396 4.519 30 20 DJED C=C(C)[C@@H](NCc1scnc1C1CC1)c1ccc(F)c(F)c1 487573729 OJZOWVLILSIQRT-MRXNPFEDSA-N 320.408 4.706 30 20 DJED Cc1ccoc1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 490487281 UHYJQCDSNWEMIL-UHFFFAOYSA-N 318.332 4.504 30 20 DJED C=CC[C@H](C(=O)Nc1cccc(F)c1Cl)c1ccccc1 522033140 RXMAURQMXFZHFN-ZDUSSCGKSA-N 303.764 4.778 30 20 DJED N#Cc1ccc(F)c(CN[C@H](c2ccccc2)C2CCCC2)c1 533387083 ZNEFJFKCPMFBMA-HXUWFJFHSA-N 308.400 4.718 30 20 DJED CCCC[C@@H](NCc1ccccc1C#N)c1ccc(OC)cc1 537102491 FPYMBHIGBQIKOI-HXUWFJFHSA-N 308.425 4.588 30 20 DJED C=CCCC[C@H](C)NC(=O)Nc1ccc(-c2nccs2)cc1 538340951 NARGAZGGDZTWPN-ZDUSSCGKSA-N 315.442 4.676 30 20 DJED N#CCc1ccc(CN[C@H](c2cccc(F)c2)C2CCCC2)cc1 542254224 QQWDENHMXNTSKV-NRFANRHFSA-N 322.427 4.913 30 20 DJED N#Cc1csc(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)c1 546242351 FKCLSQFUSYZDFI-UHFFFAOYSA-N 322.176 4.644 30 20 DJED N#Cc1ccnc(N[C@@H](c2ccccc2)c2cccc(Cl)c2)c1 552959330 ZFYVJEDSWIRFCK-IBGZPJMESA-N 319.795 4.808 30 20 DJED N#CCc1ccc(NC(=O)c2cscc2-c2ccccc2)cc1 568332404 VXRPNEIACFLGLX-UHFFFAOYSA-N 318.401 4.733 30 20 DJED Cc1ccc(-c2nc(CSCCC(C)(C)C#N)co2)cc1 579034248 YSBBEXQETHBHHD-UHFFFAOYSA-N 300.427 4.823 30 20 DJED Cc1cccc2cc(C(=O)Nc3ccc(CC#N)cc3)sc12 581212187 PYUMIKRABAPIPB-UHFFFAOYSA-N 306.390 4.528 30 20 DJED CC(=NNc1ncnc2sccc12)c1cccc2ccccc12 725818561 RAOMBLDDWJSLER-UHFFFAOYSA-N 318.405 4.681 30 20 DJED Cc1cccc2nc([C@H](C#N)C(=O)C[C@H](C)C3CCCCC3)[nH]c12 735788677 KQIQTMVZLINBIG-GOEBONIOSA-N 323.440 4.654 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(SC)c(F)c2)cc1C 741847369 NSLNNQLBAUDQDP-DAXSKMNVSA-N 316.397 4.761 30 20 DJED CCSc1ccc(C(=O)/C=C2/COc3ccc(F)cc32)cc1 755605222 XEMMTLQADHZMPA-LCYFTJDESA-N 314.381 4.596 30 20 DJED C#CCCCCNC(=O)Nc1ccccc1SC1CCCC1 758533391 VKKGNESUOFDOOR-UHFFFAOYSA-N 316.470 4.646 30 20 DJED CCN(C(=O)c1ccc(CC#N)cc1)c1ccc2ccccc2c1 758901594 HWXBOKDEHFDAEL-UHFFFAOYSA-N 314.388 4.573 30 20 DJED C[C@H](C(=O)OCCC(C)(C)C#N)c1ccc(Cl)c(Cl)c1 776394223 UTDRZUPBANMQMD-JTQLQIEISA-N 314.212 4.580 30 20 DJED Fc1cccc(NN=C2CCCSc3ccc(Cl)cc32)n1 795006553 CHJYLCJWLHJLKV-UHFFFAOYSA-N 321.808 4.576 30 20 DJED C/C(=C\C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)c1ccccc1 797567148 YYUIWSNJDWXRSA-NRMKIYEFSA-N 324.449 4.720 30 20 DJED C#CCCCCCC(=O)N1CCC[C@@H](c2ccc(CC)cc2)C1 803610786 QNFGPHUAHIZORC-HXUWFJFHSA-N 311.469 4.539 30 20 DJED CCOc1ccc(/C=C\C(=O)c2c(F)cccc2Cl)cc1 809159179 KAFUZIMXCFMIJX-FLIBITNWSA-N 304.748 4.774 30 20 DJED COc1ccc(C(=O)/C=C\c2cc3ccccc3s2)cc1O 811698816 NNJOJJMHOYRZRC-FPLPWBNLSA-N 310.374 4.512 30 20 DJED N#C[C@H](C(=O)[C@@H]1[C@H]2CCCCCC[C@H]21)c1ccc2ccccc2n1 850741675 MVNOLOKSHJAPGW-PFRQMTDMSA-N 318.420 4.627 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)C2[C@@H]3CCCCCC[C@@H]23)n1 850874225 WLBBMESTZKBZCS-MGPQQGTHSA-N 316.470 4.659 30 20 DJED CC(C)c1ccc(NC(=O)N2CCC[C@@H](C#N)C2)c(C(C)C)c1 929556805 DZDKCNJQNFZNLC-HNNXBMFYSA-N 313.445 4.701 30 20 DJED C=C(C)C(C)(C)c1nnc(-c2ccc(COc3ccccc3)o2)o1 1118370117 ALXIEJKILDVFMN-UHFFFAOYSA-N 324.380 4.762 30 20 DJED CCC[C@H](CCc1ccccc1)NCc1ccc(C#N)cc1F 1177924555 LICSNNSMTNMTRJ-LJQANCHMSA-N 310.416 4.588 30 20 DJED N#Cc1csc(CN[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)c1 1178954516 POKHDQMKIBKHJA-GOEBONIOSA-N 316.857 4.699 30 20 DJED Cc1cc(S[C@@H](C)c2nccn2-c2ccccc2)ccc1C#N 1189584868 YGYDRTWUFZVDBF-HNNXBMFYSA-N 319.433 4.906 30 20 DJED C[C@H]1C[C@@H](CC(=O)NC2(c3cccc(C#N)c3)CC2)CC(C)(C)C1 1272177161 HALYEYVSTMPNDS-RDJZCZTQSA-N 324.468 4.516 30 20 DJED Cc1cccc([C@H]2CCCN2Cc2ccc(Cl)cc2C#N)c1 1307426710 OOCDPYLVRIMGFB-LJQANCHMSA-N 310.828 4.857 30 20 DJED CN(C(=O)CC1(C#N)CCCCC1)[C@H]1CCC[C@H]1c1ccccc1 1436656530 PWFSTTZPHOIDMF-OALUTQOASA-N 324.468 4.645 30 20 DJED C[C@H](CCC#N)N1CCC[C@@H](Cc2csc3ccccc23)C1 1459899877 VUYWHRXYQHPFTE-CVEARBPZSA-N 312.482 4.848 30 20 DJED N#Cc1ccc(N(C(=O)C(C2CCC2)C2CCC2)C2CCC2)cc1 1461770684 VFSFUNRAYANWAV-UHFFFAOYSA-N 322.452 4.660 30 20 DJED CC(C)[C@H](CN[C@H](C)CC(C)(C)C#N)c1ccc(Cl)cc1 1462216667 DMSVLGMKLUJEAE-PBHICJAKSA-N 306.881 4.998 30 20 DJED Cc1ccccc1[C@H](CC(C)C)NC(=O)Nc1cccc(C#N)c1 1465140130 ZVDBOXQZDDEHPS-IBGZPJMESA-N 321.424 4.776 30 20 DJED Cc1nc(N[C@@H]2C[C@H]2c2cccc(Cl)c2)c(Cl)cc1C#N 1472769130 JITGUNBMYSBZBS-DZGCQCFKSA-N 318.207 4.537 30 20 DJED N#Cc1cccc(OCC(=O)c2ccc(C3CCCCC3)cc2)c1 1472965789 MSZQKYKCZOYWEZ-UHFFFAOYSA-N 319.404 4.868 30 20 DJED Cc1c(Cl)ccc2c1N(Cc1ccc(C#N)s1)CCC2 1473240149 FJIFVAWHBGFGME-UHFFFAOYSA-N 302.830 4.534 30 20 DJED CCO[C@H]1C[C@@H](NCCC2(C#N)CCCCC2)C12CCCCC2 1473448738 VNARVRVDUUZPBK-MSOLQXFVSA-N 318.505 4.568 30 20 DJED C=C(Cl)CNCc1ccccc1Oc1ccc(C)cc1OC 1474020961 SNJRVABHNGGOQZ-UHFFFAOYSA-N 317.816 4.638 30 20 DJED N#Cc1ccc(C(=O)O[C@H](c2ccccc2)C2CCCCC2)o1 1523401293 MYCNCYOHWCEEAB-GOSISDBHSA-N 309.365 4.630 30 20 DJED CC(C)[C@@H](NC(=O)CC(C)(C)C#N)c1ccc(C(C)(C)C)cc1 1523920870 NDBXOUIGZKQBFH-GOSISDBHSA-N 314.473 4.737 30 20 DJED Cc1cc(COC(=O)CC2(C#N)CCCCC2)ccc1Cl 1534778935 XCULUYZHLAEHQC-UHFFFAOYSA-N 305.805 4.556 30 20 DJED CC(C)O[C@@H](COc1ccc(C#N)cc1Cl)c1ccccc1 1559347532 BVNPGRZUQGOGPL-SFHVURJKSA-N 315.800 4.757 30 20 DJED Cc1ccc2ncc(C#N)c(OCCc3ccc(Cl)cc3)c2c1 1559417040 FQVCFHGPBKSYCI-UHFFFAOYSA-N 322.795 4.690 30 20 DJED CCCCN(Cc1ccccc1F)Cc1ccc(C#N)cc1F 1560659223 BOBHJTMWHVMZHB-UHFFFAOYSA-N 314.379 4.639 30 20 DJED Cc1cc(CNc2cccc(CC#N)c2)ccc1C(F)(F)F 1620939640 PRCBYHHWUXUCML-UHFFFAOYSA-N 304.315 4.692 30 20 DJED CC[C@@H](CN(CC)c1ccc(Cl)c(C#N)n1)c1ccccc1 1639812787 HIJJWRIRGMTCDA-AWEZNQCLSA-N 313.832 4.627 30 20 DJED CC(C)c1nc(Nc2cccc(CC#N)c2)cc(C(C)(C)C)n1 1642700462 XEPNAPFAMXRJOT-UHFFFAOYSA-N 308.429 4.707 30 20 DJED N#Cc1cc(COc2c(F)cc(Cl)cc2Cl)ccc1F 1644021444 CSYGMBJVGXYPLQ-UHFFFAOYSA-N 314.118 4.722 30 20 DJED N#Cc1ccc(CN2CCC(=Cc3cccc(F)c3)CC2)c(F)c1 1658000367 WLLLXXZEEBCYPL-UHFFFAOYSA-N 324.374 4.516 30 20 DJED CC[C@H]1CCC[C@H](CN2CCC(c3ccc(C#N)cc3)CC2)C1 1665780859 SUCNGLYINJELGZ-HKUYNNGSSA-N 310.485 4.954 30 20 DJED CC(C)(C)CC(=NNc1ccccc1C(=O)O)c1ccccc1 1776030082 WIYUVWGGQXMPAL-UHFFFAOYSA-N 310.397 4.637 30 20 DJED O=C1/C(=C/c2ccc(OC(F)F)cc2)CCc2ccccc21 5128632 ACOUZXYPJJRNQU-SDNWHVSQSA-N 300.304 4.501 30 20 DJED C=CCN(Cc1cccs1)C(=O)Cc1ccc2ccccc2c1 60678022 QHEREQWMTCYPBI-UHFFFAOYSA-N 321.445 4.659 30 20 DJED C=CCN(Cc1cccc(OC(F)F)c1)Cc1cccs1 65234356 GAZIBPMFMZRLQN-UHFFFAOYSA-N 309.381 4.538 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 78973421 BYUZEEHXYUNOMJ-OLZOCXBDSA-N 318.342 4.989 30 20 DJED CCc1nnc(Oc2ccc(Cl)cc2Cl)c(C#N)c1CC 125025762 VSARYBSLSHYPIN-UHFFFAOYSA-N 322.195 4.572 30 20 DJED CCC[C@H](C)CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 155487018 VOICZTIVPFQQGZ-ZFWWWQNUSA-N 312.438 4.813 30 20 DJED C[C@@H](NCc1ccc(C#N)s1)c1ccc(-c2ccncc2)cc1 176980868 FZRJQRQVVFAPHR-CQSZACIVSA-N 319.433 4.533 30 20 DJED N#Cc1ccc(CNc2ccccc2CCC(F)(F)F)cc1F 190387987 FRTAEMYDHKYIJI-UHFFFAOYSA-N 322.305 4.804 30 20 DJED Cc1ccccc1-c1noc([C@@H](C)SCCC(C)(C)C#N)n1 276574960 FTIWQDCANPQEGC-CYBMUJFWSA-N 315.442 4.779 30 20 DJED CC(C)[C@H]1C[C@H](NCc2ccc(OCC#N)cc2)c2ccccc21 278755677 OCLZURYOMHWDCH-RTWAWAEBSA-N 320.436 4.563 30 20 DJED Cc1ccc(C)c([C@@H]2CCCN2c2ccc(Cl)c(C#N)n2)c1 301685415 VJCCRCCGHMJMGW-KRWDZBQOSA-N 311.816 4.565 30 20 DJED CC(C)(NCc1ccccc1C#N)c1ccc(Cl)c(Cl)c1 303152291 SVVPSHXVKGKGRZ-UHFFFAOYSA-N 319.235 4.890 30 20 DJED CCCN(CCSc1ccccc1)Cc1ccc(C#N)cc1 303679206 IOQYSMKLXKYCFL-UHFFFAOYSA-N 310.466 4.563 30 20 DJED Cc1cc(C)c2nc(N=C(O)[C@@H]3CCC(=O)[C@H](C)C3)sc2c1 328910169 NGGHMSRMRAHOKN-ZYHUDNBSSA-N 316.426 4.506 30 20 DJED C[C@@H](NCC(C)(C)CC#N)c1cc(Cl)ccc1OC(F)F 414161393 FKOLRSWPPZDJBK-SNVBAGLBSA-N 316.779 4.532 30 20 DJED C=CCCCCNC(=O)N(C)[C@@H](c1ccc(F)cc1)C(C)C 434367146 OQPMWZRLQGTVGY-QGZVFWFLSA-N 306.425 4.521 30 20 DJED C=CCC[C@H](NC(=O)Nc1cccc(COC)c1)c1ccccc1 435671435 JMRAJZZUSNWWIQ-IBGZPJMESA-N 324.424 4.662 30 20 DJED CC[C@H](N[C@H]1C[C@H](c2ccccc2F)C1)c1ccc(C#N)cc1 436308817 NNNLLBXMYSANHL-ZWOKBUDYSA-N 308.400 4.684 30 20 DJED N#CCCCCN[C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 442774401 AIYBTEZRCDMCSB-GDBMZVCRSA-N 310.363 4.625 30 20 DJED C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CCCCC(C)(C)C#N 444636762 DTHCKGVPSZWTOZ-NVXWUHKLSA-N 302.437 4.724 30 20 DJED C[C@H](NCc1cc(C2CC2)ccc1F)c1ccc(C#N)c(F)c1 453251872 FRKXRWWEBQSSRW-LBPRGKRZSA-N 312.363 4.565 30 20 DJED CC(C)[C@H]1N(C(=O)c2ccc(C(C)(C)C#N)cc2)CC12CCCC2 457144352 MXCHCZXWDZGRAW-GOSISDBHSA-N 324.468 4.529 30 20 DJED N#Cc1nnc2ccccc2c1SCc1ccccc1C1CC1 467010223 CSWVHUAFBKPFAG-UHFFFAOYSA-N 317.417 4.671 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(-c2csc(C)n2)cc1 467741743 DNXNZCHJPCTABH-UHFFFAOYSA-N 312.438 4.825 30 20 DJED C[C@H](N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1ccc(C#N)cc1 479485843 DXJMDEVMKZBMNF-BOUXLOLZSA-N 308.400 4.684 30 20 DJED C=CCC[C@@H](C(=O)Nc1ccccc1OCC)c1ccccc1 487593635 XJEQXCKUAMNASU-QGZVFWFLSA-N 309.409 4.774 30 20 DJED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cccc(Cl)c1 552970670 ZBYQXZPGVTWEMF-DJJJIMSYSA-N 310.828 4.940 30 20 DJED Cc1c(Cl)cnc(N2CC[C@@H]2c2ccc(Cl)cc2)c1C#N 553262309 PSUIAWCJMLQSID-OAHLLOKOSA-N 318.207 4.520 30 20 DJED CC(C)c1ccc([C@@H](C)CC(=O)NCC(C)(C)CCC#N)cc1 557997918 SZKJZXNICXMKJM-INIZCTEOSA-N 314.473 4.750 30 20 DJED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[C@@H]1C[C@@H]1C 563757277 XXSRTJNQKNSGGM-BBRMVZONSA-N 320.392 4.644 30 20 DJED CC(C)c1ccc2c(c1)[C@@H](N[C@H]1CCc3ccc(C#N)cc31)CC2 573452810 YHZDKAOAUVAGLV-VXKWHMMOSA-N 316.448 4.946 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1cc2cccc(C)c2s1 578362705 YWEXPDZRPBOBCH-UHFFFAOYSA-N 314.454 4.754 30 20 DJED N#CCCCCCC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 588691204 WENKXYXRVIAESL-ZCNNSNEGSA-N 324.468 4.645 30 20 DJED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cc2ccncc2s1 595039270 FLMUYSREAOLVJS-YVEFUNNKSA-N 319.433 4.506 30 20 DJED CC[C@@H](C#N)c1ccc(-c2ccc(C(F)(F)F)cc2CO)cc1 596641938 LUFGWYQLDYZINQ-LBPRGKRZSA-N 319.326 4.882 30 20 DJED C=CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)C1 628494531 RQSPAKIPBSIPKM-FPMFFAJLSA-N 324.251 4.522 30 20 DJED COc1ccc(/C=C/C(=O)c2nc(-c3ccccc3)cs2)cc1 730084837 ILZGGZPGCXEBNJ-FMIVXFBMSA-N 321.401 4.715 30 20 DJED COc1cc(/C=C/C(=O)c2ccc(F)cc2C)ccc1SC 731318703 JWKOLCKTNQWORA-XBXARRHUSA-N 316.397 4.761 30 20 DJED CC[C@@H](/N=C\c1cc(Cl)cc(Cl)c1O)c1ccncc1 741466059 BYVZVVOUESABNB-NGMPYOPUSA-N 309.196 4.664 30 20 DJED CCCCCCCC(=O)NC[C@H](OC)c1ccc(Cl)cc1 741965446 QHEATTYYACVGLF-INIZCTEOSA-N 311.853 4.504 30 20 DJED C=C(C)CCOC(=O)c1cnc(-c2ccccc2Cl)s1 744300423 XGNBWCNLGGITOI-UHFFFAOYSA-N 307.802 4.587 30 20 DJED CCCCc1ccc(C(C)=NNc2oc(C(C)C)nc2C#N)cc1 745624985 RAXWZXNXCKAMSL-UHFFFAOYSA-N 324.428 4.848 30 20 DJED CCOc1ccc(/C=C/C(=O)c2c[nH]c3cc(F)ccc23)cc1 749451422 CRSFSRGXZWSVJX-BJMVGYQFSA-N 309.340 4.602 30 20 DJED CCCCCCCCCCC(=O)N1CC[C@@H](C2CCOCC2)C1 754893269 YYKXMUKDXJLNTJ-LJQANCHMSA-N 323.521 4.792 30 20 DJED C#CCCCC(=O)N(c1cccc(C(F)(F)F)c1)[C@@H](C)C1CC1 758076851 QMXRZCDOIIMNIV-ZDUSSCGKSA-N 323.358 4.640 30 20 DJED C/C=C(/C=C\C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)CC 765456480 BPDUXQRIOVGLQL-JKVFBMRUSA-N 323.223 4.587 30 20 DJED C=CC[C@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1ccncc1 766018130 GEHWGINVWOSSSE-PXAZEXFGSA-N 304.796 4.842 30 20 DJED CCc1cnccc1C(=O)/C=C/c1nc(-c2ccccc2)cs1 766780209 VVUOFVFKQYRKSE-CMDGGOBGSA-N 320.417 4.664 30 20 DJED C/C(=C\c1c(Cl)cccc1Cl)C(=O)OCCCCC#N 766794230 NZJFIEZNDOYNMM-ZHACJKMWSA-N 312.196 4.634 30 20 DJED C=CCSCCN[C@H](C)c1ccc(SC(F)F)cc1 772953505 JNOYSXSGMRYRRG-LLVKDONJSA-N 303.443 4.571 30 20 DJED C#CC[C@H](N[C@H](CC)c1ccc(N(C)C)cc1)c1ccccc1 773115684 OEFMHEVKDXKNHL-RTWAWAEBSA-N 306.453 4.558 30 20 DJED CC(C)Cc1ccccc1C(=O)Nc1ccc(C#N)cc1Cl 792541244 JHOAMWGJUBWZCK-UHFFFAOYSA-N 312.800 4.662 30 20 DJED CC(C)O[C@@H](C=NNc1ccc(F)cc1F)c1ccccc1 792868570 GYNGBCYMUJLHLE-KRWDZBQOSA-N 304.340 4.529 30 20 DJED CC[C@H](Nc1cccc(OCCCC#N)c1)c1ccc(C)cc1O 794819134 XYXDSLWENYMKOI-IBGZPJMESA-N 324.424 4.946 30 20 DJED CCNc1ccc(C#N)cc1NCc1cccc(C(F)F)c1 795045373 PESKRYIEVIOHGF-UHFFFAOYSA-N 301.340 4.540 30 20 DJED CN(c1ccccc1)c1ccc(/C=C/C(=O)c2cccs2)cn1 797788683 RNPHSPXBMWILLX-PKNBQFBNSA-N 320.417 4.807 30 20 DJED CC(C)(C)c1ncc(/C=C/C(=O)c2ccc3ccccc3c2)cn1 806565468 OEMRDGVSZZAIIU-DHZHZOJOSA-N 316.404 4.823 30 20 DJED Cc1nn(C)c2sc(C(=O)/C=C/c3sccc3Cl)cc12 806576498 CRVODEAQNZJQSW-ONEGZZNKSA-N 322.842 4.554 30 20 DJED C#Cc1cncc(C(=O)Nc2ccc(S[C@@H](C)CC)cc2C)c1 806717797 PMSLURMRZWYLPW-AWEZNQCLSA-N 324.449 4.514 30 20 DJED C=CC[C@@H](NCc1cscc1C(F)(F)F)c1ccncc1 811481043 NACHZCOWPKVKDN-CQSZACIVSA-N 312.360 4.569 30 20 DJED N#Cc1c(F)cccc1/C=C/C(=O)c1ccccc1C(F)(F)F 811685673 ZJPJJASZDDTBIR-CMDGGOBGSA-N 319.257 4.612 30 20 DJED Fc1ccc(C(C=NOCC2CC2)c2ccc(F)cc2)cc1 814244984 PGENFNLLDAHVCI-UHFFFAOYSA-N 301.336 4.509 30 20 DJED CSCc1cnc(/C=C2\C[C@@H](C)c3ccccc3C2=O)s1 834430755 XNHZBYKHHPWBIM-OYGDSYQHSA-N 315.463 4.780 30 20 DJED C=C(C)[C@H](N[C@H]1CCc2cccc(O)c21)c1ccc(F)c(F)c1 834768762 FOUMWSSOBDYBQJ-LPHOPBHVSA-N 315.363 4.565 30 20 DJED CCCCCCCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 914437658 JFYOKKVECRRFDZ-UHFFFAOYSA-N 316.489 4.604 30 20 DJED COc1ccc(/C=C\C(=O)c2c(C)[nH]c3ccccc23)cc1F 915114369 LKXZAKDPCXZWIO-CLFYSBASSA-N 309.340 4.520 30 20 DJED CC(=NNc1nncc2ccccc12)c1ccc(C(C)C)cc1 915909943 WBUXNSZZVNAMGP-UHFFFAOYSA-N 304.397 4.589 30 20 DJED CSc1ccc(C(C)=NNc2nccc3sccc23)cc1 915980264 RTWQBZCGCGHKNX-UHFFFAOYSA-N 313.451 4.854 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccccc2OC(F)F)cc1C 916137511 BFXMMBQBPZWNAJ-MDZDMXLPSA-N 302.320 4.801 30 20 DJED Cc1cc(CON=Cc2ccc(Br)cc2)c(C)s1 920399163 LYEKVOKYHNEQKV-UHFFFAOYSA-N 324.243 4.678 30 20 DJED CC[C@@H]1CN(CCCC(C)(C)C#N)c2cccc(Cl)c2O1 1193345246 AWVUBKJHWNYDEL-CYBMUJFWSA-N 306.837 4.647 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1CC 1197248268 VAZYAIIFFIZPJJ-UHFFFAOYSA-N 321.424 4.565 30 20 DJED N#Cc1ccc(CNC[C@H]2CCCC[C@H]2c2ccccc2)c(F)c1 1202417280 JTTJAAWTMPBVRJ-QUCCMNQESA-N 322.427 4.761 30 20 DJED CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)Nc2sccc2C#N)CC1 1207293315 PCKNQQMEGWPSGD-ZIAGYGMSSA-N 319.474 4.736 30 20 DJED CCCC[C@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1264129371 OZMXYLHYOWTXPT-RYUDHWBXSA-N 304.459 4.509 30 20 DJED Cc1ccc([C@H]2CCC[C@@H]2OC(=O)c2ccc(CC#N)cc2)cc1 1269820509 SHSVENRRGDRZDJ-UXHICEINSA-N 319.404 4.554 30 20 DJED C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1cccc(C#N)c1 1307521736 MRDMIPWACZQRBL-CABCVRRESA-N 312.844 4.836 30 20 DJED CCCc1c(NC[C@H](C)CC(C)C)cnn1-c1cccc(C#N)c1 1308700667 UCGZFODUEGUWEP-MRXNPFEDSA-N 324.472 4.791 30 20 DJED C=C[C@@H](C(=O)Nc1c(C)cc(OC)c(C)c1C)c1ccccc1 1348633196 XKYMMHDWFWABAN-QGZVFWFLSA-N 309.409 4.529 30 20 DJED C=CCN(C(=O)c1ccc2cc(OC)ccc2c1)c1ccccc1 1351044409 MMRSYNPIOBNJJF-UHFFFAOYSA-N 317.388 4.681 30 20 DJED N#Cc1cccc([C@@H]2C[C@H]2C(=O)O[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 1351078880 WXAPFBQPZKIUGM-CVYSASLGSA-N 323.436 4.564 30 20 DJED CCC[C@H]1CCC[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 1353332745 FYNLLRIGZSTOOD-RBUKOAKNSA-N 312.457 4.512 30 20 DJED N#Cc1cnc(Nc2ccc(Oc3cccc(F)c3)cc2)c(F)c1 1458124633 SNVMFGRCMHHETP-UHFFFAOYSA-N 323.302 4.767 30 20 DJED CC1(C)CN(Cc2cccc(C#N)c2F)c2cccc(Cl)c21 1459745433 FFXRYRJBOHLVJO-UHFFFAOYSA-N 314.791 4.649 30 20 DJED CC(C)c1ccc(/C=C\CC(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1 1459843303 WTLFLJKQOWDGPO-WPGJWXSHSA-N 324.468 4.754 30 20 DJED N#C[C@H](c1ccccc1)N1CC=C(c2cccc(Cl)c2)CC1 1460049171 WHNPWDYIYSZKFP-LJQANCHMSA-N 308.812 4.694 30 20 DJED CN(C(=O)CC1CCCCCC1)c1ccc(C#N)c(Cl)c1 1462058662 LRBFIJDGDUWIOE-UHFFFAOYSA-N 304.821 4.535 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C/C=C/c1ccc(F)cc1F 1462366148 WLPGVFSRQCXUMZ-GBXSZLQWSA-N 312.363 4.543 30 20 DJED Cc1ccc(C2(CNCc3ccc(C#N)c(C)c3)CCC2)cc1C 1474130169 KRIJCTFHVPAULM-UHFFFAOYSA-N 318.464 4.695 30 20 DJED N#CC1(CN[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CCC1 1474585258 NOHUWURHASGPOU-HZPDHXFCSA-N 322.374 4.625 30 20 DJED N#Cc1c(F)cccc1CN1Cc2ccccc2-c2ccccc21 1474605014 QXAWQJRGXAEILN-UHFFFAOYSA-N 314.363 4.885 30 20 DJED Cc1c(C#N)cccc1C(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 1524697702 VSKMAFCKMVBWTF-GOSISDBHSA-N 318.420 4.657 30 20 DJED CCN(Cc1ccc2ccccc2c1)C(=O)C(C#N)(CC)CC 1528143560 JSFCIMIQLBVALP-UHFFFAOYSA-N 308.425 4.518 30 20 DJED CCCC[C@@H](CC)CCCN(C)C(=O)c1cc(C#N)cs1 1533372613 FVZMHTQXIPZZSQ-CQSZACIVSA-N 306.475 4.688 30 20 DJED CC[C@@H](C#N)N(CC)C(=O)CC1CCC(c2ccccc2)CC1 1536522574 YAEZISCQRHFTDI-KVZIAJEVSA-N 312.457 4.501 30 20 DJED CC[C@H](CC(=O)O[C@H](C)c1cccc(C#N)c1)c1ccccc1 1544194327 MUVXCDCNQCCRAD-NVXWUHKLSA-N 307.393 4.746 30 20 DJED C=C(Cl)CN[C@](C)(c1ccc(Br)cc1)C(C)C 1559749980 DMJPIIQKNPZPNV-AWEZNQCLSA-N 316.670 4.662 30 20 DJED N#C[C@@H]1CCC[C@@H](OC(=O)C2(c3cccs3)CCCCC2)C1 1584703416 QXLAXNPYUBQZCC-HUUCEWRRSA-N 317.454 4.576 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@H]2Nc1nc(C#N)c(Cl)s1 1639284057 NICLJNJSOYXOFZ-SNVBAGLBSA-N 321.833 4.695 30 20 DJED N#Cc1cc(Cl)ccc1SCCc1noc2ccccc12 1640957242 KOQQSHBANNOGJY-UHFFFAOYSA-N 314.797 4.688 30 20 DJED Cc1ccccc1[C@H]1CCN(Cc2ccc(Cl)cc2C#N)C1 1644478594 OLLBAJBESLEHMT-INIZCTEOSA-N 310.828 4.510 30 20 DJED CC(C)(C)[C@H]1CCCC[C@@H]1CNc1ncc(C#N)cc1Cl 1650709155 DQOZXCJYZWCMDA-KGLIPLIRSA-N 305.853 4.871 30 20 DJED CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C[C@@H](C)C#N 1657478476 ZVOOMRYZIVJNFX-HNNXBMFYSA-N 312.844 4.989 30 20 DJED Cc1cc(CN[C@H](C)C2(c3ccccc3)CCCC2)ccc1C#N 1662247040 QLEXHBCECJAOSV-GOSISDBHSA-N 318.464 4.857 30 20 DJED Cc1cc(C)cc(NN=Cc2csc3ccc(C(=O)O)cc23)c1 1776026230 IUNGRFMECQSLAN-UHFFFAOYSA-N 324.405 4.662 30 20 DJED CC[C@@H](C)c1ccc(C(=O)/C=C\c2cccc(C(=O)O)c2)cc1 1776697833 PRXCZZJWIQNFID-YRBHFNIASA-N 308.377 4.794 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCC1CCCC1 66801812 WXUUHRBPIUYCAU-AWEZNQCLSA-N 316.470 4.990 30 20 DJED Cc1cscc1C(=O)Nc1cc(C(C)(C)C)sc1C#N 91209077 REBGJTGLYWOTTR-UHFFFAOYSA-N 304.440 4.540 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)cc1 98053753 JMRDANURXMCYOZ-YWEYNIOJSA-N 302.160 4.761 30 20 DJED CC(NCc1cccc(C#N)c1)(c1ccccc1)c1ccccc1 103346816 OYEFOIYXSOUEBT-UHFFFAOYSA-N 312.416 4.612 30 20 DJED C[C@@H](NCc1cccc(OC2CCCC2)c1)c1ccc(C#N)cc1 125863421 AQHDOBGIZQQHEV-MRXNPFEDSA-N 320.436 4.730 30 20 DJED Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1cc(C#N)cs1 176842971 AHEUXMAUXBSSRH-AATRIKPKSA-N 316.451 4.578 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1ccc(Oc2ccccc2)o1 178379669 WPYSQMUHJWPCGQ-UHFFFAOYSA-N 318.332 4.504 30 20 DJED CC[C@H](N[C@@H](CCC#N)c1ccccc1)c1cccc([N+](=O)[O-])c1 181577621 PZAHHVJPGDACMJ-OALUTQOASA-N 323.396 4.681 30 20 DJED C[C@H](N[C@@H](C)c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 213670537 QNXQQPCJJMESGJ-RYUDHWBXSA-N 302.780 4.763 30 20 DJED CC(C)CC[C@@H](C)Nc1cc(Br)c(C#N)cc1F 310759026 YAAAHPNIPBVMED-SNVBAGLBSA-N 313.214 4.696 30 20 DJED CCO[C@@H](C)c1ncc(/C(O)=N/C2CCC(CC)CC2)s1 330906206 DNYZWDOZXVCGHZ-HIFPTAJRSA-N 310.463 4.514 30 20 DJED C[C@H](CN[C@H]1CCCCc2cc(C#N)ccc21)CC(F)(F)F 414269221 ORTBSWZRSKLISJ-LRDDRELGSA-N 310.363 4.504 30 20 DJED CC(C)(C)c1ccccc1NC(=O)CSc1ccccc1C#N 439715034 CRFUMBXCVICERX-UHFFFAOYSA-N 324.449 4.587 30 20 DJED CCCC[C@H](CC)C(=O)N(CCC)Cc1ccc(C#N)cc1 463303296 AGXYPCDMNFJYGD-SFHVURJKSA-N 300.446 4.513 30 20 DJED C=C[C@H](C)NC(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 464749680 DZEBABFRFQBQLZ-LSDHHAIUSA-N 314.454 4.595 30 20 DJED C=CC[C@H](C(=O)N1CC[C@@H](c2ccc(F)cc2)C1)c1ccccc1 478215571 XJRAZZXZEHLGNQ-QUCCMNQESA-N 323.411 4.502 30 20 DJED CCOCc1cccc(N[C@H]2CCCCc3cc(C#N)ccc32)c1 481994979 VGDDYRAONKWZFO-NRFANRHFSA-N 320.436 4.974 30 20 DJED C=CCOc1cccc(NC(=O)Nc2ccccc2Cl)c1 516234641 CCGLLQFUBQVQOU-UHFFFAOYSA-N 302.761 4.549 30 20 DJED Cc1ccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)cc1C 521770124 ZFUBYVVURGMROK-LJQANCHMSA-N 320.436 4.596 30 20 DJED C[C@H](Nc1ccn(-c2ccccc2Cl)n1)c1ccc(C#N)cc1 526964943 DPFZIQQUBLCPBI-ZDUSSCGKSA-N 322.799 4.570 30 20 DJED CN(C(=O)c1ccc(C#N)s1)c1ccc(-c2ccccc2)cc1 531152275 OODBQAGQDXZIRU-UHFFFAOYSA-N 318.401 4.563 30 20 DJED C=CCCCN1CCC(c2nc3cc(Cl)ccc3o2)CC1 533350106 TZPZJUVAZQEBNC-UHFFFAOYSA-N 304.821 4.627 30 20 DJED N#Cc1ccc(CN2CCCC[C@H]2c2ccc(F)cc2F)s1 538795789 WGAYEZZKVOPYOR-KRWDZBQOSA-N 318.392 4.625 30 20 DJED C=CCN(CC=C)C(=O)Nc1ccccc1COC(C)(C)CC 543647538 PMSQRTOLGXCPHR-UHFFFAOYSA-N 316.445 4.598 30 20 DJED C=CCC[C@H](NCc1cccc(OC(C)(C)C)n1)c1ccco1 552275337 SBCQRVGKKGMMAP-INIZCTEOSA-N 314.429 4.649 30 20 DJED C[C@H]1CCC[C@H](c2noc([C@@H]3C[C@H]3c3cccc(C#N)c3)n2)C1 568732587 FERRYGHYIKPEBX-OSMBCOQSSA-N 307.397 4.506 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1cccc(Cl)c1OCC(F)F 577977490 OKNWNFSBMSPQJK-OAHLLOKOSA-N 317.763 4.525 30 20 DJED C=C(C)CCc1noc([C@@H](Oc2ccccc2)c2ccccc2)n1 582353224 VRRVCIAQHNIYHU-IBGZPJMESA-N 320.392 4.747 30 20 DJED Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)CCCCCC#N)cc1 588649816 MCSDIMVYVVDZLD-RTBURBONSA-N 312.457 4.564 30 20 DJED CC(C)C[C@H]1CCCCCN1C(=O)Nc1ccc(F)c(C#N)c1 610142495 RYLWNYDMTSPLNU-MRXNPFEDSA-N 317.408 4.520 30 20 DJED C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1cccc(C#N)c1 619508397 OYPJOXHGRNWTOK-BTYIYWSLSA-N 315.420 4.548 30 20 DJED Fc1cc(F)cc(NN=Cc2cc(C(F)(F)F)ccc2F)c1 733203291 BVZCRXDYCWJXOW-UHFFFAOYSA-N 318.220 4.569 30 20 DJED O=C(/C=C/c1ccc2c(c1)CCO2)c1cccc(Cl)c1Cl 734982025 VIFDPTXKHBMZND-GQCTYLIASA-N 319.187 4.824 30 20 DJED N#Cc1ccc2c(c1)CC/C(=C\c1csc3ccccc13)C2=O 742437781 RBOBOJJVXKELKG-XNTDXEJSSA-N 315.397 4.985 30 20 DJED C=C(C)COc1cc(/C=C\C(=O)c2cccs2)ccc1OC 747062218 VDWPRSNKQCDWRR-VURMDHGXSA-N 314.406 4.608 30 20 DJED CCOc1cccc(C(=O)/C=C/c2coc(-c3ccccc3)n2)c1 749890757 AERXNOPGMCFKOA-VAWYXSNFSA-N 319.360 4.636 30 20 DJED CCn1nc(C)c(C(=O)/C=C/c2ccc3ccccc3c2)c1C 750914148 SINMHUSCVFTDCQ-ZRDIBKRKSA-N 304.393 4.569 30 20 DJED Cc1cc(-c2ccccc2)ccc1NC(=O)c1cc(C#N)cs1 752291213 VRXADLQPZUOALT-UHFFFAOYSA-N 318.401 4.848 30 20 DJED O=C(/C=C\c1cccnc1Cl)c1ccc(-c2ccccc2)o1 761805100 XICUGKKHMVUXCV-HJWRWDBZSA-N 309.752 4.891 30 20 DJED C=CC[C@H](N[C@H](C)c1ccc(F)cc1Cl)c1ccncc1 766022982 YSTXGGNLJJCGFU-PXAZEXFGSA-N 304.796 4.842 30 20 DJED C=C(Cl)CN[C@@H]1CCCc2nc(-c3ccccc3)sc21 773005481 RCBCNAMEDBSXTR-CYBMUJFWSA-N 304.846 4.530 30 20 DJED CC/C(C)=C(/C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 779924584 ABDZTUWIVVDTIU-JOLOJFPGSA-N 302.443 4.623 30 20 DJED C#CCCCCCC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 779984741 UXAYYIXLURPBOJ-OAQYLSRUSA-N 323.411 4.615 30 20 DJED Cc1[nH]c2ccccc2c1C(=O)/C=C/c1ccc2cnccc2c1 782321597 BNDITYQBQSRDSM-VQHVLOKHSA-N 312.372 4.921 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N1CCC[C@H](OC)CC1 783081672 XKXQRQKRDRDUGV-ROUUACIJSA-N 311.510 4.791 30 20 DJED Cc1ccc(OC(=O)C[C@@H](CC#N)c2ccccc2)c(Cl)c1 796706645 CZQQOOFUUWRTEO-OAHLLOKOSA-N 313.784 4.641 30 20 DJED C=CCC(C)(C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 796754882 CUKCEJSACREDDZ-NSHDSACASA-N 318.829 4.728 30 20 DJED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cc(Cl)cs2)s1 797570952 KQEMBPXEMLFHGS-VIFPVBQESA-N 324.858 4.646 30 20 DJED C#C[C@H](NCc1coc2ccccc12)c1ccc(Cl)cc1F 809699117 NCHVTWYFKQXQHC-KRWDZBQOSA-N 313.759 4.689 30 20 DJED CC(=NNc1ccc(C)cn1)c1sc(-c2ccccc2)nc1C 814831548 GRMQDAGRDSVDCM-UHFFFAOYSA-N 322.437 4.658 30 20 DJED Cc1ccc([C@@H](C)/N=C\c2cc(Cl)cc([N+](=O)[O-])c2O)s1 920175236 UDWZYZRYIZHMHU-UIKYOSCFSA-N 324.789 4.504 30 20 DJED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@H]2C=CCC2)cc1 1115842804 NTVMREZITMUJFG-OXJNMPFZSA-N 316.404 4.637 30 20 DJED C=C(C)[C@H](NCc1cccn1C1CC1)c1ccc(F)c(F)c1 1119339478 DGXNPEFQTJOISN-SFHVURJKSA-N 302.368 4.508 30 20 DJED C[C@@H]1CC(C)(C)N(C(=O)c2ccc(C#N)cc2F)c2ccccc21 1127576917 AQFXJQKYVBBODQ-CYBMUJFWSA-N 322.383 4.630 30 20 DJED CC(C)(C)c1csc(NC(=O)c2cccc3c2CCC3)c1C#N 1129477578 JHTBMYLDGAGYOZ-UHFFFAOYSA-N 324.449 4.658 30 20 DJED CC(C)(C)c1ccc2c(c1)CCCN2Cc1ccc(F)cc1C#N 1168208151 JWGGLPHZPPECIS-UHFFFAOYSA-N 322.427 4.948 30 20 DJED Cc1ccc(COc2ccc(CNCC(C)(C)CC#N)cc2)cc1 1178922452 WZIFEHXSTMPYNK-UHFFFAOYSA-N 322.452 4.604 30 20 DJED CC(C)Oc1cccc(CSc2cccc(F)c2C#N)c1 1189432871 LIHLSJRNTXWMFS-UHFFFAOYSA-N 301.386 4.777 30 20 DJED CSc1ccccc1C(C)=NNc1cccc2cnccc12 1256575869 QKXYNIBXYKVWSS-UHFFFAOYSA-N 307.422 4.793 30 20 DJED CC(C)c1nc2ccc(Nc3ncc(C#N)cc3F)cc2s1 1306946027 NDHAKVJJXNPLNV-UHFFFAOYSA-N 312.373 4.569 30 20 DJED Cc1ccccc1[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 1307444280 RRWSZULVOHPYNW-MRXNPFEDSA-N 310.828 4.510 30 20 DJED Cc1cc(NC2C(C)(C)C2(C)C)n2c(nc3ccccc32)c1C#N 1458233170 WAHURYJKABGWKH-UHFFFAOYSA-N 318.424 4.514 30 20 DJED CC(C)CCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 1473231612 OIRFRHDAMVPCJJ-UHFFFAOYSA-N 310.416 4.746 30 20 DJED CC[C@@H](OC(=O)c1cccc(C#N)c1)c1c(F)cccc1Cl 1519120445 HIAQJSBWUAJLAR-OAHLLOKOSA-N 317.747 4.659 30 20 DJED CC(C)(C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1ccc2ccccc2c1 1525049011 PWZRZSOHZIUQFX-DNVCBOLYSA-N 321.420 4.743 30 20 DJED CC1(C)CCCC[C@H]1C(=O)Nc1cc2ccccc2cc1C#N 1525265423 ATLXNUODGDKKDZ-KRWDZBQOSA-N 306.409 4.866 30 20 DJED Cc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)c(Cl)c1Cl 1529689930 BBKPXSFRBWOKQM-UHFFFAOYSA-N 323.154 4.565 30 20 DJED C[C@H]1CC(C)(C)c2cccc(NC(=O)c3cccc(C#N)c3)c21 1538254341 JHNITPHLKHCCGG-ZDUSSCGKSA-N 304.393 4.595 30 20 DJED N#Cc1cccc(COc2c(F)cc(Cl)cc2Cl)c1F 1559428391 FVFBXGNHMZVENJ-UHFFFAOYSA-N 314.118 4.722 30 20 DJED Cc1cc(Cl)cc2c1N(Cc1ccc(F)c(C#N)c1)CCC2 1559613211 AAVRZHWCBMYJIT-UHFFFAOYSA-N 314.791 4.612 30 20 DJED CC(C)C(NCc1ccc(-c2ccccc2C#N)cc1)C(C)C 1616655021 YVABFDBKIFQALP-UHFFFAOYSA-N 306.453 4.995 30 20 DJED CC(C)[C@@H](CNc1snc(Cl)c1C#N)Cc1ccccc1 1639804139 OHRHZVKHLNQOFO-CYBMUJFWSA-N 319.861 4.595 30 20 DJED CCC[C@H]1CCc2ccccc2N1Cc1ccc(F)c(C#N)c1 1642163377 PGZXMBKDYKFSKL-SFHVURJKSA-N 308.400 4.819 30 20 DJED Cc1cc(S[C@@H](C(=O)C2CC2)c2ccccc2)ccc1C#N 1644029506 MUDBBMZQLNTQCW-LJQANCHMSA-N 307.418 4.679 30 20 DJED CN(CCCC(C)(C)C#N)CCOc1ccccc1C(C)(C)C 1645451030 QUJSLUHBXRQCDF-UHFFFAOYSA-N 316.489 4.625 30 20 DJED C=C(Br)CSc1nc(-c2ccccc2)cs1 1652455252 QREBMYHVFJUZOS-UHFFFAOYSA-N 312.257 4.811 30 20 DJED Cc1c(C#N)c(S[C@@H](C)CCc2ccccc2)nc2c1CCC2 1652517099 ZRRKYJZSARXSLW-AWEZNQCLSA-N 322.477 4.864 30 20 DJED C[C@H]1CCN(Cc2ccc(F)cc2C#N)c2ccccc2S1 1652729837 WZCAKLNZCNAWKJ-ZDUSSCGKSA-N 312.413 4.588 30 20 DJED N#Cc1ccc(CNC(C2CCCC2)C2CCCC2)c(F)c1 1658044759 FDGODPKFVJRZKX-UHFFFAOYSA-N 300.421 4.536 30 20 DJED C[C@@H](CCc1ccccc1)CN[C@@H](CCC#N)c1ccccc1 1661985785 FJBPXFQTEYYNGC-RXVVDRJESA-N 306.453 4.890 30 20 DJED CC[C@H]1[C@@H](C)CCN1C(=O)Nc1scc(C(C)(C)C)c1C#N 1662084823 QKPZWOICFONLSY-FZMZJTMJSA-N 319.474 4.570 30 20 DJED N#Cc1ccc(NC(=O)N2CCC[C@@H]2CCC2CCCC2)cc1 1666343108 OYYCJQKEIRBKCX-GOSISDBHSA-N 311.429 4.525 30 20 DJED Cc1c(C#N)cccc1NC(=O)N(CCC(C)C)CCC(C)C 1667872385 NCPQEVCICPVHMF-UHFFFAOYSA-N 315.461 4.793 30 20 DJED CC[C@@H](NC(=O)Nc1scc(C)c1C#N)c1ccc(C)cc1 1671134381 PRCIEUPVGVIASJ-OAHLLOKOSA-N 313.426 4.509 30 20 DJED C[C@H](SCc1cc(C#N)ccc1F)c1c(F)cccc1F 63430775 URYWRWVLNVJEMV-JTQLQIEISA-N 307.340 4.970 30 20 DJED CCN(C(=O)c1cc(C#N)cs1)[C@H](C)c1cc2ccccc2o1 84085922 APWYRDMBVNDWRB-GFCCVEGCSA-N 324.405 4.589 30 20 DJED CCCCOc1ccccc1NCc1ccc(O[C@H](C)C#N)cc1 159282963 BJHRDLYZCSTGSQ-MRXNPFEDSA-N 324.424 4.768 30 20 DJED C=C(C)CSCC(=O)Nc1ccccc1Cc1ccccc1 177871296 ZQRLMLKLUAMLHQ-UHFFFAOYSA-N 311.450 4.525 30 20 DJED CCCc1cccc(C(C)C)c1NC(=O)N[C@@H](CC)CC#N 189973638 CIKJAXMCCNGHKZ-HNNXBMFYSA-N 301.434 4.576 30 20 DJED CCCCCCCC[S@](=O)Cc1coc(-c2ccccc2)n1 190756701 HULWHLUGDMINIZ-QFIPXVFZSA-N 319.470 4.951 30 20 DJED Cc1cc([C@@H](C)NCc2ccc(O[C@H](C)C#N)cc2)c(C)s1 237582369 GWTKBLXUABGINH-TZMCWYRMSA-N 314.454 4.507 30 20 DJED C=CCN(Cc1ccccc1)C(=O)c1cc(C)n(C(C)C)c1C 345357318 FFXVWRKJFKJOMO-UHFFFAOYSA-N 310.441 4.514 30 20 DJED CC1(C#N)CCC(Nc2cccc(CN3CCCCC3)c2)CC1 449040116 GLYJZMFZVAYRCW-UHFFFAOYSA-N 311.473 4.557 30 20 DJED C=CCCN(C)C(=O)Nc1cccc(CSC2CCCC2)c1 466591460 UTMUHBJUDIWZBR-UHFFFAOYSA-N 318.486 4.902 30 20 DJED C=CCCCCCSCC1CCN(C(=O)C(C)(C)C)CC1 485570277 AVTNRJWSJRTOEI-UHFFFAOYSA-N 311.535 4.751 30 20 DJED CC(C)(C#N)c1ccccc1CN(Cc1ccccc1)C1CC1 487366664 PLLAOVMXJDFRKL-UHFFFAOYSA-N 304.437 4.652 30 20 DJED C=CC[C@@H](C(=O)Nc1cccc(OC(F)F)c1)c1ccccc1 488642161 KZTNQQUJDCGYDQ-MRXNPFEDSA-N 317.335 4.586 30 20 DJED C=C(C)COc1cccc(NC(=O)c2ccc(C)cc2Cl)c1 494670309 DWNZAADFIVYEBI-UHFFFAOYSA-N 315.800 4.856 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)cc1 525068127 YSHVXMNOCDKMRR-MSOLQXFVSA-N 310.441 4.643 30 20 DJED CCc1cnc(CNc2cccc(Oc3ccc(C#N)cc3)c2)o1 532115177 URXVMMIHXTWICJ-UHFFFAOYSA-N 319.364 4.513 30 20 DJED Cc1ccc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1C 553293907 OTRWVAJDCFSAIG-IIBYNOLFSA-N 304.437 4.903 30 20 DJED CC(C)(CCC#N)CNC(=O)Nc1ccccc1-c1ccccc1 554052278 JAYBAUIMCAEDHT-UHFFFAOYSA-N 321.424 4.805 30 20 DJED C[C@@H]1SCCN(Cc2ccc(-c3ccccc3C#N)cc2)[C@@H]1C 558246639 APIILVYAGQHKMM-CVEARBPZSA-N 322.477 4.551 30 20 DJED Cc1ccc([C@H](N[C@@H]2CCCc3cc(C#N)ccc32)C2CC2)cc1 565908759 KGNXFVUYHXFBGA-YADHBBJMSA-N 316.448 4.985 30 20 DJED Cc1cccc([C@H](c2noc(CCCCCC#N)n2)C(C)C)c1 589156349 CNOQXLMFNKAEMB-GOSISDBHSA-N 311.429 4.792 30 20 DJED N#CCCSCc1coc(-c2ccccc2C(F)(F)F)n1 601084170 WATNNBILRHBYFW-UHFFFAOYSA-N 312.316 4.507 30 20 DJED Cc1ccccc1Oc1ccccc1CNc1ncccc1C#N 609287982 MOMICOJZTZGNIP-UHFFFAOYSA-N 315.376 4.666 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1cscc1Cl 611254840 GUMRLWCIGCMLPA-UHFFFAOYSA-N 304.846 4.684 30 20 DJED CCC(C)(CC)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 613396507 WEQPFFCEMWGBGU-UHFFFAOYSA-N 323.396 4.510 30 20 DJED N#Cc1ccc(OCc2cccc(Cl)c2Br)cc1 719511368 STHSBFQZYSWWGM-UHFFFAOYSA-N 322.589 4.553 30 20 DJED C[C@H](NCc1csc2ccccc12)c1ccc(OCC#N)cc1 729685926 NLJTZGXZXWQFMJ-AWEZNQCLSA-N 322.433 4.654 30 20 DJED CC(=NNc1nc2ccccc2s1)c1ccc2ccccc2n1 749808729 YNGWHJOBGXTPJZ-UHFFFAOYSA-N 318.405 4.681 30 20 DJED CC(C)(C=NN=C(c1ccccc1)c1ccccc1)CCC#N 755467794 NGYLBFMPXOLPSR-UHFFFAOYSA-N 303.409 4.840 30 20 DJED C#CC[C@H](NCc1cnc(-c2ccccc2)s1)c1ccccc1 756996474 GITVZBRKJBROER-IBGZPJMESA-N 318.445 4.664 30 20 DJED C#CC[C@H](NCc1ccc(Cl)cc1Cl)c1ccccc1 756997321 LVPLMEXHVBKXBJ-KRWDZBQOSA-N 304.220 4.848 30 20 DJED O=C1/C(=C\c2cccc(O)c2)Cc2cc(Cl)cc(Cl)c21 764431323 DMTSDHZLWHXQKW-WCIBSUBMSA-N 305.160 4.521 30 20 DJED C=CC[C@H](N[C@@H](C)c1ccc(OCCC)cc1)c1ccncc1 766020419 PEKOXPXQQYYPOW-JXFKEZNVSA-N 310.441 4.838 30 20 DJED FC(F)(F)C1CCC(C=NNCc2ccc(Cl)cc2)CC1 767385461 PUSDYERMRRDFTF-UHFFFAOYSA-N 318.770 4.784 30 20 DJED CC(=NNc1c(F)cccc1Cl)c1c(C)nn(C(C)C)c1C 769828213 CTCCXXAODMERAZ-UHFFFAOYSA-N 322.815 4.709 30 20 DJED Clc1ccsc1C=NNc1cccc(Br)c1 782186713 PBPXSFWRXBHXTL-UHFFFAOYSA-N 315.623 4.610 30 20 DJED CSc1ccc(C(=O)/C=C/c2ccc3cnccc3c2)cc1 782312697 LDQBXPMJCVLAIA-YCRREMRBSA-N 305.402 4.853 30 20 DJED CC(C)(C#N)CCCOC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 783562111 WOTAURGKTNEPIE-RTBURBONSA-N 321.420 4.816 30 20 DJED C[C@H](ON=Cc1ccccc1C(F)(F)F)c1ccc(C#N)cc1 794712802 CUYHJZGWKMZOEM-LBPRGKRZSA-N 318.298 4.689 30 20 DJED Cc1ccc(-c2ncc(/C=C/C(=O)c3ccnc(F)c3)s2)cc1 794718801 LXADUTMNPTWHBO-VOTSOKGWSA-N 324.380 4.549 30 20 DJED Cc1ccc2cc(C(=O)/C=C/c3cn(C(C)C)nc3C)oc2c1 798370709 VMYMNFZREFOHGH-BQYQJAHWSA-N 308.381 4.723 30 20 DJED C[C@@H]1CC=C(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)CC1 835069860 JHLMTEBZZRCEQP-CJNGLKHVSA-N 322.433 4.733 30 20 DJED CC[C@H](N[C@H](C)c1cc(F)ccc1OC)c1cccc(C#N)c1 902753930 UYVHYIIEKAWWIJ-ACJLOTCBSA-N 312.388 4.508 30 20 DJED Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc(Oc2ccccc2)cc1 915983745 GZPGVAYAFWVGJG-OUKQBFOZSA-N 318.376 4.715 30 20 DJED Clc1ccc(NN=Cc2ccccc2Br)cc1 916247070 XZGTUELQXSYZHG-UHFFFAOYSA-N 309.594 4.549 30 20 DJED CC1=CC(=NNc2ncnc3sc(-c4ccccc4)cc23)CC1 916311340 BYHMUKTTZPBYOT-UHFFFAOYSA-N 320.421 4.866 30 20 DJED COc1ccc(C=NNc2cccc(Cl)c2F)c(Cl)c1 921137908 STWSHCSKJIZHGY-UHFFFAOYSA-N 313.159 4.587 30 20 DJED C[C@H](OC(=O)c1ccc(SC2CC2)cc1)c1cccc(C#N)c1 1127091314 LHDJUMORHDFUIG-ZDUSSCGKSA-N 323.417 4.731 30 20 DJED C[C@@H]1C[C@H](c2ccccc2)N(Cc2ccc(C#N)cc2Cl)C1 1194152910 JPOTWXIBQXKYTK-AUUYWEPGSA-N 310.828 4.795 30 20 DJED Cc1cc(OCc2ccc(Cl)c3cccnc23)ccc1C#N 1307337179 KANSIQOSVWLKQQ-UHFFFAOYSA-N 308.768 4.647 30 20 DJED C=CCCCOC(=O)c1csc(Cc2ccc(Cl)cc2)n1 1318622859 KIMKHSFWTBGUFL-UHFFFAOYSA-N 321.829 4.510 30 20 DJED C[C@H]1CCC[C@H]1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1349230605 SKWMDRBARDEPIC-AGIUHOORSA-N 316.470 4.509 30 20 DJED C[C@H]1C[C@@H](C)Cc2c1sc(NC(=O)[C@H]1CC[C@@H](C)C1)c2C#N 1527032046 GTXHSZSQCRMSFS-NDBYEHHHSA-N 316.470 4.680 30 20 DJED Cc1cc(SCc2coc(-c3cccs3)n2)ccc1C#N 1559429600 WMILNIOHZGQSCP-UHFFFAOYSA-N 312.419 4.876 30 20 DJED CC[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)c1ccc(OC)cc1 1611737859 JJNNQADONHORDZ-QGZVFWFLSA-N 323.440 4.823 30 20 DJED Cc1cccc(COc2c(C)cc(CN[C@H](C)CC#N)cc2C)c1 1651494727 XYXZRPPWWIBIOG-GOSISDBHSA-N 322.452 4.583 30 20 DJED COc1cc(C#N)ccc1OCc1ccc(C2CCCC2)cc1 1652369511 OGQAAFKQBLUGHM-UHFFFAOYSA-N 307.393 4.803 30 20 DJED CCc1ccc([C@H]2CCCN([C@H](C#N)c3ccccc3)C2)cc1 1654379873 QGRJJHZPGULFCB-LEWJYISDSA-N 304.437 4.693 30 20 DJED N#Cc1ccc(CNCC2(c3ccc(Cl)cc3)CCCC2)cc1 1655407526 RLUCBUSMEQHWJX-UHFFFAOYSA-N 324.855 4.813 30 20 DJED COc1ccc(C#N)cc1CN(c1ccccc1)[C@@H](C)C(C)C 1655572036 IPPQBPROFNAYKW-INIZCTEOSA-N 308.425 4.618 30 20 DJED C[C@H](CCC#N)CN(CCc1cccc(F)c1)C1CCCC1 1658409298 VCFCCVACRFEARY-MRXNPFEDSA-N 302.437 4.553 30 20 DJED N#C[C@@H]1CC[C@H](N[C@H]2CCC[C@H](c3cccc(Cl)c3)C2)C1 1664987289 KNFICHMNHZIIBG-KCMWZYNZSA-N 302.849 4.648 30 20 DJED C[C@@H]1C/C(=C/c2ccc(/C=C/C(=O)O)cc2)C(=O)c2ccccc21 1776589742 RZTDHRHXQVODGF-RDEICYRJSA-N 318.372 4.558 30 20 DJED C[C@@H](Nc1ccc(CC#N)cc1)c1ccc(Br)cc1 37071314 HLKZLEDCNPWCNV-GFCCVEGCSA-N 315.214 4.688 30 20 DJED C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(C#N)cc1)C1CC1 45397545 RTUOOQGGANULIP-ZDUSSCGKSA-N 324.811 4.577 30 20 DJED N#Cc1cccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)c1 59270273 UMJZWLHZZSCILY-FNORWQNLSA-N 302.160 4.761 30 20 DJED C=CCN(CCc1ccccc1)C(=O)Nc1cc(C)ccc1C 62367858 QEARXADLLYBVTK-UHFFFAOYSA-N 308.425 4.566 30 20 DJED CC(C)N(CCC#N)Cc1ccc(-c2cccc(F)c2)s1 63615088 FNKQPNDTSGGZPT-UHFFFAOYSA-N 302.418 4.678 30 20 DJED Cc1ccc(-c2nnc(SCc3cccc(C#N)c3)o2)c(C)c1 66260643 ZPNHNJKEGVXPNR-UHFFFAOYSA-N 321.405 4.517 30 20 DJED Cc1csc(-c2cccc(NCc3ccccc3C#N)c2)n1 102395618 GMUBKAZXTKKIBE-UHFFFAOYSA-N 305.406 4.602 30 20 DJED Cc1ccc(C)c(SCc2nnc(-c3ccc(C#N)cc3)o2)c1 133598464 LPTQNPLPDQCGGW-UHFFFAOYSA-N 321.405 4.517 30 20 DJED C=C(Cl)COc1ccc([C@H](C)N[C@H](C)c2ccccn2)cc1 152419109 GMAMGVGVUTXFKX-LSDHHAIUSA-N 316.832 4.625 30 20 DJED Cc1ccc2oc(C(=O)N(C)c3cc(Cl)ccc3C#N)cc2c1 156831499 UFGDDYYEBQFESN-UHFFFAOYSA-N 324.767 4.543 30 20 DJED C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)c2cccnc2)cc1 158569302 PTALIINIOUEGJV-GJZGRUSLSA-N 316.832 4.625 30 20 DJED Cc1ccccc1-c1noc([C@@H](C)Sc2cccc(C#N)c2)n1 158738716 YKGMZMSFWOSRNQ-CYBMUJFWSA-N 321.405 4.770 30 20 DJED Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(C#N)cc2)c1C 174310123 LYEGCDDKDXNQHU-LJQANCHMSA-N 319.408 4.544 30 20 DJED C[C@H](NCc1ccc(C#N)s1)c1cc(Cl)ccc1Cl 189466236 QVDUEELROOORHR-VIFPVBQESA-N 311.237 4.777 30 20 DJED N#Cc1ccc(CNc2ccc(CCC(F)(F)F)cc2)cc1F 190387403 AFZAVIWHKUKHGL-UHFFFAOYSA-N 322.305 4.804 30 20 DJED C[C@H](NCc1ccc(C#N)c(F)c1)c1cccc(Cl)c1Cl 192157669 OVCRVGBNTJHKBP-JTQLQIEISA-N 323.198 4.855 30 20 DJED C[C@H](Nc1ccc(F)cc1C#N)c1nc(C(C)(C)C)cs1 301388377 DUSHLJRUZCKHID-JTQLQIEISA-N 303.406 4.624 30 20 DJED Cc1ncc(N=C(O)[C@@H](C)c2ccc(Cl)s2)c(C2CC2)n1 328796737 VCLPNIULZBXINB-QMMMGPOBSA-N 321.833 4.769 30 20 DJED Cc1cc(NC(=O)[C@]2(C#N)CC23CCCC3)c2ccccc2c1 333870765 PFLGOQAUNRKBFB-HXUWFJFHSA-N 304.393 4.561 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(C(F)F)cc1 425363052 AAQUSQUSCFXHIX-ZDUSSCGKSA-N 300.352 4.689 30 20 DJED CC(C)C1(C)CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 429348566 XBXJJMZHSAPLCP-UHFFFAOYSA-N 319.836 4.502 30 20 DJED N#CCCC[C@H](Nc1nc2ccccc2s1)c1ccccc1 431487130 MJRKJSNEACLOGK-HNNXBMFYSA-N 307.422 5.143 30 20 DJED N#C[C@@H]1CC[C@@H](N[C@H](c2ccccc2)c2cc3ccccc3o2)C1 442761888 DGIVNDGQCKDZRT-FQELHTAISA-N 316.404 4.804 30 20 DJED C[C@@H](c1ccc(Oc2ccccc2)cc1)N1CCC(C#N)CC1 445207129 BZXOTKDRDWWXFP-INIZCTEOSA-N 306.409 4.775 30 20 DJED CCCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 460342312 ZQIZSUWXOSDEIP-UHFFFAOYSA-N 312.800 4.545 30 20 DJED N#C[C@@H]1CCC[C@H](NC2(c3ccc(Cl)c(Cl)c3)CC2)C1 467446323 DLSXRFXPVQTMDL-YPMHNXCESA-N 309.240 4.654 30 20 DJED N#CCCCSCc1ccc(Cl)cc1Br 479527577 NKVAVTDBXHPSEK-UHFFFAOYSA-N 304.640 4.639 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1ccc(OCCCC)cc1C 488372069 SKZNLIDKCMDYKG-INIZCTEOSA-N 316.445 4.746 30 20 DJED C=CCCO[C@@H](C)C(=O)N[C@@H](c1ccc(C(C)C)cc1)C(C)C 495427462 OCOGCBFKXGEYQB-QFBILLFUSA-N 317.473 4.605 30 20 DJED C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)c1ccc(Cl)cc1 512194906 LPCDSUQPWJDGDU-AWEZNQCLSA-N 319.832 4.565 30 20 DJED CC(C)(C)c1ccc([C@H](C#N)NC(=O)C2CCCCCC2)cc1 524572471 AMBWZIGGYYACIA-SFHVURJKSA-N 312.457 4.635 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccccc1COC(C)(C)CC 543647217 MNQPSWXCAMYVHJ-UHFFFAOYSA-N 318.461 4.822 30 20 DJED CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1ccc(Cl)c2ccccc12 552433866 FORVAHHPFFROGH-SGTLLEGYSA-N 314.816 4.610 30 20 DJED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)c(F)c1 552922769 SMZUVNVTSRCDBE-CWTRNNRKSA-N 312.363 4.565 30 20 DJED Cc1c(C(=O)N(CC(C)C)c2ccc(C#N)cc2)ccn1C(C)C 555592577 ADYDLHXBTIJCIK-UHFFFAOYSA-N 323.440 4.552 30 20 DJED CC(C)Oc1ccc(Cl)cc1NCc1cccc(C#N)c1 562083283 KWRPJJRZDMQPJM-UHFFFAOYSA-N 300.789 4.611 30 20 DJED CCCCN(C(=O)c1ccc(CC#N)cc1)[C@@H]1CCC[C@H](C)C1 578355335 HJYMEHKCXMTRNJ-QFBILLFUSA-N 312.457 4.574 30 20 DJED N#CCC1(CSCc2ccc(Cl)c3cccnc23)CC1 596332422 MFXQIEWIWVELMA-UHFFFAOYSA-N 302.830 4.815 30 20 DJED N#CCC[C@H](NCc1csc(C(F)(F)F)c1)c1ccccc1 598969698 GSJYYVNJANRLQJ-AWEZNQCLSA-N 324.371 4.902 30 20 DJED C[C@@H](NCC1CCC(C(F)(F)F)CC1)c1cccc(C#N)c1 611438737 DCWVYFCYGJVAIA-VEAWUBTESA-N 310.363 4.578 30 20 DJED CCC(C)(C)OCc1ccccc1N[C@@H](C#N)Cc1ccccc1 612438248 OPFPVPSBOCZCLY-LJQANCHMSA-N 322.452 4.939 30 20 DJED Cc1cccc2c1[C@H](C)C[C@@H]2N[C@H]1CCc2cc(C#N)ccc21 618807402 UIYQGNXONQZOBW-UAOJZALGSA-N 302.421 4.692 30 20 DJED C=CC[C@@H](CC)NC(=O)N(CCCC)[C@H](C)c1ccc(C)o1 684929061 CSLGIMNIWZRBDI-HZPDHXFCSA-N 306.450 4.815 30 20 DJED Cc1ccc(Br)c(OCc2ccc(C#N)cc2C)c1 699861225 VOXPJFHXNJVOOV-UHFFFAOYSA-N 316.198 4.517 30 20 DJED Cc1cc(C)cc(C(=O)/C=C/c2cnc(-c3ccccc3)nc2)c1 730437897 VWFNTVLGWDVKTL-CMDGGOBGSA-N 314.388 4.657 30 20 DJED C[C@@H](c1cc2ccccc2o1)N(C)Cc1ccc(OCC#N)cc1 731210624 WHIQAJBDUPIXGG-HNNXBMFYSA-N 320.392 4.528 30 20 DJED Cc1cc(C=NNc2cccc(F)c2)ccc1Oc1cccnc1 732712584 LRQORDXMBAMQOF-UHFFFAOYSA-N 321.355 4.767 30 20 DJED CCn1c(C(C)=NNc2cc(C)cc(C)c2)nc2ccccc21 741458491 ZYHAOIGFEMBWLY-UHFFFAOYSA-N 306.413 4.509 30 20 DJED CCC(=NNc1c(F)cc(F)cc1Br)C(C)C 741771709 MZDFFOCWTGQZCU-UHFFFAOYSA-N 305.166 4.561 30 20 DJED O=C(/C=C/c1ccccc1)c1ccc(SCC(F)F)cc1 741843878 RDTRIKOVQHHCKN-IZZDOVSWSA-N 304.361 4.940 30 20 DJED O=C1/C(=C\c2ccc(Cl)nc2)CSc2ccc(Cl)cc21 749000053 UFLAZOMGIMWFDC-YHYXMXQVSA-N 322.216 4.760 30 20 DJED CC(C)c1cnc(CNc2cccc(C#Cc3cccs3)c2)o1 754304338 PBZMCQAGTONQGE-UHFFFAOYSA-N 322.433 4.871 30 20 DJED O=C(/C=C\c1ccc(O)c(F)c1)c1ccc(-c2ccccc2)o1 755600079 XKSKZIJBUKHCTB-CLFYSBASSA-N 308.308 4.687 30 20 DJED CC1CCC(N(Cc2ccc(O[C@H](C)C#N)cc2)C2CC2)CC1 768252264 HOOXZEVATLTXOG-UPTPFMHGSA-N 312.457 4.521 30 20 DJED CC(C)(CCC#N)CN1CCC[C@H]1COc1ccc(Cl)cc1 768790999 DUZPDLOGBMNIKP-INIZCTEOSA-N 320.864 4.513 30 20 DJED O=C(/C=C\c1ccc(Cl)cc1Br)c1ccco1 769772066 VMFOHHKLKGSSOK-XQRVVYSFSA-N 311.562 4.592 30 20 DJED C#CC[C@@H](N[C@H](C)c1cccc(OC(F)F)c1)c1ccccc1 773113252 CTXYWGDFTIAALY-RDTXWAMCSA-N 315.363 4.703 30 20 DJED CCN(c1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1)C(C)C 776797099 GFNWFHMIYMLRDV-INIZCTEOSA-N 307.441 4.966 30 20 DJED O=C1/C(=C\c2scnc2C2CC2)CSc2ccc(F)cc21 782305012 FKNSZTFMMNEBMC-YHYXMXQVSA-N 317.410 4.532 30 20 DJED CC(=NNc1cccc(F)n1)[C@@H]1C[C@H]1c1ccc(Cl)s1 795006562 PRXWDKWKMGCTNK-VHSXEESVSA-N 309.797 4.527 30 20 DJED C=C(C)[C@H](NCc1cc(C)nc(Cl)c1)c1ccc(F)c(F)c1 797601701 LQZFFMAKJHEVQC-KRWDZBQOSA-N 322.786 4.729 30 20 DJED C[C@H]1/C(=C\c2nc3ccc(F)cc3s2)C(=O)c2ccccc21 809159083 HZJDKMWTMMLHTH-GMROUXNLSA-N 309.365 4.819 30 20 DJED Cc1ccc(-c2n[nH]cc2/C=C/C(=O)c2ccc(F)c(F)c2)cc1 810227645 GRSAQEQGVGDVOG-VQHVLOKHSA-N 324.330 4.559 30 20 DJED Cc1ccc(F)c(NN=Cc2cscc2C(F)(F)F)c1 811645012 UZMCKQVHGGBFFR-UHFFFAOYSA-N 302.296 4.660 30 20 DJED FC(F)(F)c1cccc(NN=CC2=Cc3ccccc3OC2)c1 812376853 SPJJTOBGSKSCJI-UHFFFAOYSA-N 318.298 4.579 30 20 DJED C=CCCc1ccccc1NC(=O)CC[C@@H]1CC1(Cl)Cl 854343835 MIWYNJOVIZZUKB-CYBMUJFWSA-N 312.240 4.718 30 20 DJED CCCNN=Cc1ccc(-c2ccccc2Br)s1 915965298 FKDYNWCWDBYDFI-UHFFFAOYSA-N 323.259 4.511 30 20 DJED Cc1ccccc1/C=C\C(=O)c1ccc(Br)s1 916134578 QXSYSTRVJPWJTN-SREVYHEPSA-N 307.212 4.715 30 20 DJED CCC(=NNc1ncc(Cl)cc1Cl)c1ccc(F)cc1 916316670 GRWDMFWCSBMCNM-UHFFFAOYSA-N 312.175 4.754 30 20 DJED O=[N+]([O-])c1ccccc1NN=Cc1ccccc1-c1ccccc1 917530904 IKNYMCABVUVGFI-UHFFFAOYSA-N 317.348 4.708 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1ccc(Cl)c2occc12 1128198093 SCHCBCUHQJXEQU-UHFFFAOYSA-N 318.804 4.631 30 20 DJED CCCC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(C#N)cc1Cl 1201921648 APOWBWUPHMMRGV-UKRRQHHQSA-N 319.836 4.692 30 20 DJED C[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)C[C@@H](c2ccccc2)C1 1202797661 NLOXWSXKNBAFDU-YSSFQJQWSA-N 322.427 4.759 30 20 DJED CCc1oc2ccccc2c1C(=O)N[C@](C)(C#N)C1CCCCC1 1319593248 MVYMAKBQVFHLLQ-HXUWFJFHSA-N 324.424 4.588 30 20 DJED Cc1sc(NC(=O)[C@@]2(c3ccccc3)CC2(C)C)c(C#N)c1C 1347708394 FDAOBLCMRFGWRO-IBGZPJMESA-N 324.449 4.543 30 20 DJED CC1(CCC(=O)Nc2sc(-c3ccccc3)cc2C#N)CC1 1357754012 NLWRQFXTVQFOTM-UHFFFAOYSA-N 310.422 4.806 30 20 DJED N#Cc1ccc(N[C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)nc1 1458428598 AWIRXVOBFFYLMU-DOTOQJQBSA-N 311.816 4.745 30 20 DJED Fc1ccc(OCc2cc(F)c(C(F)(F)F)cc2F)c(F)c1 1458836133 RXHNBIFXWHNCBG-UHFFFAOYSA-N 324.195 4.841 30 20 DJED CC[C@@H](NCc1ccc(Cl)cc1C#N)c1ccc(C)c(F)c1 1459819162 XONYEJPQIFFTCC-GOSISDBHSA-N 316.807 4.900 30 20 DJED CC(C)[C@H]1CN(Cc2ccc(Cl)cc2C#N)c2ccccc21 1460045238 KIFWFYQPUPYPBM-GOSISDBHSA-N 310.828 4.971 30 20 DJED CC(C)c1ccc(CC2CCN(c3ccc(C#N)cn3)CC2)cc1 1472750800 MYMNOWNVNVFZGJ-UHFFFAOYSA-N 319.452 4.536 30 20 DJED CCC[C@@H](CC)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 1524293904 SAFGQVWPDZUSCQ-CQSZACIVSA-N 323.396 4.510 30 20 DJED CCCC1(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 1530711893 BWGJEWYJAFDIQH-UHFFFAOYSA-N 320.392 4.869 30 20 DJED CC[C@H]1CCCC[C@H]1C(=O)N(c1ccc(C#N)cc1)C1CCC1 1533352057 LXAADLJKLVKPNV-QFBILLFUSA-N 310.441 4.660 30 20 DJED C[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(C(C)(C)C)sc1C#N 1535489346 XZDCRYMIIIKEHM-NEPJUHHUSA-N 304.459 4.682 30 20 DJED Cc1oc(C#N)cc1C(=O)O[C@@H]1C[C@@H](C(C)C)c2ccccc21 1543568234 RUJCSSZJNONADW-FUHWJXTLSA-N 309.365 4.501 30 20 DJED Cc1ccc(C[C@H]2CCCN([C@H](C)c3ccc(C#N)cc3)C2)cc1 1559512686 YHTVBVXIEJFDIM-WIYYLYMNSA-N 318.464 4.882 30 20 DJED C[C@H](NCc1ccc(Cl)cc1C#N)c1ccc2c(c1)CCCC2 1559729743 JGCGKGYTLXGUBK-AWEZNQCLSA-N 324.855 4.941 30 20 DJED C[C@@H]1CCCC[C@@H]1CCNc1c(Br)cccc1C#N 1639478881 YRIISRKBICJRFN-CHWSQXEVSA-N 321.262 4.949 30 20 DJED CCc1ccc([C@@H]2C[C@H](C)CCN2Cc2ccc(C#N)s2)o1 1641888077 ZKHQCIAEQDGJCM-DYVFJYSZSA-N 314.454 4.748 30 20 DJED N#Cc1ccc(CN2CCc3c(-c4ccccc4)cccc32)s1 1642621651 YJRWBDUXZLCPQZ-UHFFFAOYSA-N 316.429 4.849 30 20 DJED N#Cc1cnc(N[C@H]2C[C@H](c3cccc(Cl)c3)C2)c(Cl)c1 1642645682 OYQMDKDRSPVLCZ-MQMHXKEQSA-N 318.207 4.618 30 20 DJED Cc1nc(N(C)[C@H](C)c2ccc(Cl)cc2Cl)ccc1C#N 1650579367 VAVKOZRVBXNRSF-LLVKDONJSA-N 320.223 4.766 30 20 DJED N#Cc1cccnc1Nc1ccc(CCCc2ccccc2)cc1 1650716140 OVOCJYJGYKMQFI-UHFFFAOYSA-N 313.404 4.872 30 20 DJED CC[C@H](Nc1nc(Cl)c(C#N)s1)c1ccc(C)c(F)c1 1651699575 UAZHJASQFUDGJT-NSHDSACASA-N 309.797 4.679 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)CC1CCC(C(F)(F)F)CC1 1654808548 BEUPGRACAWAJTJ-CBCUQQMYSA-N 324.390 4.920 30 20 DJED Cc1cc(C#N)ccc1CN1CCC(CCc2ccccc2)CC1 1655605191 SWJBERUYGTVZQD-UHFFFAOYSA-N 318.464 4.712 30 20 DJED C[C@@H](COc1ccc(Br)c(C#N)c1)C1CCCCC1 1656930878 XJDXOHPUSOMASS-LBPRGKRZSA-N 322.246 4.916 30 20 DJED CN(Cc1cccc(F)c1C#N)[C@@H]1CCCC[C@@H]1c1ccccc1 1660031971 CWIDBPQPMVZYCJ-WIYYLYMNSA-N 322.427 4.856 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1ccc(F)cc1Cl 1662605926 LGNIRPSINXAZFM-UHFFFAOYSA-N 318.779 4.750 30 20 DJED C=C(CNC(=O)N1C[C@@H](C(C)C)c2ccccc21)c1ccccc1 1686697016 QMTOUSWKZJHDFT-IBGZPJMESA-N 320.436 4.669 30 20 DJED CCCCCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 5461401 UXAQCBATNZSPOX-LBPRGKRZSA-N 304.459 4.653 30 20 DJED Cc1cc(C)c(C#N)c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)n1 26774933 HYSBLPCEQGVNBM-LBPRGKRZSA-N 319.330 4.762 30 20 DJED Cc1ccc(-c2nnc(SCc3ccc(C#N)cc3)o2)c(C)c1 66260846 WEDYBYIHRIXWPQ-UHFFFAOYSA-N 321.405 4.517 30 20 DJED CC(C)(C)CN(CCC#N)Cc1csc(C2CCCC2)n1 78642961 LVRAFROKGQEYSX-UHFFFAOYSA-N 305.491 4.562 30 20 DJED COc1ccc(C(=O)/C=C/C(C)=C\c2ccccc2)cc1OC 96298240 DDZHTVGVKBMWEB-NYWYOEKOSA-N 308.377 4.546 30 20 DJED COc1ccc(CNc2ccc(C)c(C)c2)cc1OCCCC#N 112372419 JPKNLJMYYCSTTO-UHFFFAOYSA-N 324.424 4.607 30 20 DJED C[C@H](C#N)Oc1ccccc1N[C@H]1CCC[C@H](C(F)(F)F)C1 129643451 MOMFRPDTUAASJJ-AGIUHOORSA-N 312.335 4.510 30 20 DJED Cc1ccccc1N(C(=O)c1ccc(C#N)c(Cl)c1)C(C)C 156029828 XYKRTLRVGRPCTH-UHFFFAOYSA-N 312.800 4.575 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc(COC(C)C)cc1 158656380 IOSVBTSKWSYGHD-UHFFFAOYSA-N 318.461 4.822 30 20 DJED Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 161135862 RZYICPWZZYHNON-HZPDHXFCSA-N 324.449 4.600 30 20 DJED N#CCCCCSCc1csc(-c2ccccc2F)n1 161707323 JVWRXDYZIYFSCZ-UHFFFAOYSA-N 306.431 4.876 30 20 DJED CCOc1ccccc1[C@@H](CC)N[C@H](C)c1cccc(C#N)c1 181648041 MOCPGKNMGOHDMH-DNVCBOLYSA-N 308.425 4.759 30 20 DJED C=CCCCN[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 182562888 UFFOKJHGZFPVKP-MRXNPFEDSA-N 308.425 4.556 30 20 DJED C=CCCCSCCC(=O)Nc1ccccc1C(F)(F)F 268718581 HUDLDPBQSZFPHJ-UHFFFAOYSA-N 317.376 4.733 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]1c1ccccc1 274072399 RLHSSVJMOFOCSP-IBGZPJMESA-N 319.408 4.626 30 20 DJED CC(C)[C@H]1CCC[C@@H](Nc2ccc(C#N)c(Br)c2)C1 312034719 ZHCXWHHZSLOBCS-GXTWGEPZSA-N 321.262 4.947 30 20 DJED CC(C)(C)c1ccc(N/C(O)=N/CC2CCC(C#N)CC2)cc1 331275525 QDSCHBKLYKIQHK-UHFFFAOYSA-N 313.445 4.640 30 20 DJED CC[C@H](NCC(C)(C)CCC#N)c1cc(Cl)ccc1OC 348215344 MJPZZAZJNKDGSP-HNNXBMFYSA-N 308.853 4.719 30 20 DJED C[C@H](CCc1ccccc1F)N[C@H](CCC#N)c1ccccc1 358340983 NGBMJOUKVLWESK-OXQOHEQNSA-N 310.416 4.781 30 20 DJED CC(C)CN(C(=O)c1csc(Cl)c1)c1ccc(C#N)cc1 409543491 HODVYBGIQWSXMM-UHFFFAOYSA-N 318.829 4.576 30 20 DJED Cc1cc(F)c(CNc2cccc(OCCCC#N)c2)c(F)c1 424163041 XFKLSHPVEAFMHA-UHFFFAOYSA-N 316.351 4.568 30 20 DJED Cc1cccc(NC(=O)c2sc3ccc(C#N)cc3c2C)c1 427979542 ISUADRBWVXANLL-UHFFFAOYSA-N 306.390 4.642 30 20 DJED C[C@@H](NCc1ccc(-c2ccco2)cc1F)c1cccc(C#N)c1 447795308 NHIZCWPPEWPNFV-CQSZACIVSA-N 320.367 4.808 30 20 DJED CC[C@@](C)(C#N)c1nc(C2CCC(c3ccccc3)CC2)no1 453197010 MVYJQESRLDPYKS-RJYAGPCLSA-N 309.413 4.702 30 20 DJED Cc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c(Cl)c1 474074491 LRTVENPQQFEPOO-UHFFFAOYSA-N 312.800 4.702 30 20 DJED CC(C)c1cccc(CNC(=O)c2ccc(C(C)(C)C#N)cc2)c1 476751424 ZRNAJUKESGWERU-UHFFFAOYSA-N 320.436 4.541 30 20 DJED C=CCOCCCSCc1coc(-c2ccc(Cl)cc2)n1 479605094 WRRAMNFTTLOSFI-UHFFFAOYSA-N 323.845 4.821 30 20 DJED C=CCOc1cccc(NC(=O)[C@@H](C)c2cc3ccccc3o2)c1 482081220 LACNSWIVSCVLJO-AWEZNQCLSA-N 321.376 4.740 30 20 DJED CCCCc1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1 482164027 OAXCWCPLCLYHHC-UHFFFAOYSA-N 324.449 4.632 30 20 DJED CC(=O)c1ccc2cc(OCc3ccc(F)cc3C#N)ccc2c1 482741925 HGFOPPCFQPFPFE-UHFFFAOYSA-N 319.335 4.632 30 20 DJED Cc1ccccc1O[C@H]1CCCC[C@@H]1NCCCC(C)(C)C#N 484632453 ANICGVINKMBEHY-HKUYNNGSSA-N 314.473 4.605 30 20 DJED C=CCOc1cccc(CN[C@H](C)c2ccccc2Cl)c1 486684652 SGOUHWLILUKGGG-CQSZACIVSA-N 301.817 4.756 30 20 DJED C=CCC[C@@H](C(=O)Nc1ccc(C)cc1OC)c1ccccc1 488673222 GFELZGNFYAKDLD-QGZVFWFLSA-N 309.409 4.692 30 20 DJED CCCN(C(=O)c1sccc1C#N)[C@@H](CC)c1ccccc1 497988694 CSLWNCWGRMEUHX-INIZCTEOSA-N 312.438 4.623 30 20 DJED C=CCCCSc1nc2cc(Cl)ccc2c(=O)n1C(C)C 524230141 POFFDHUDYJZWST-UHFFFAOYSA-N 322.861 4.689 30 20 DJED Cc1cc2cc(CN[C@@H](C)c3ccc(C#N)cc3)oc2cc1C 530913078 DHTKTVYENGGMDE-HNNXBMFYSA-N 304.393 4.772 30 20 DJED N#Cc1csc(CNC2(c3cccc(Cl)c3)CCCC2)c1 532479764 LMDRVZFHGSUZRT-UHFFFAOYSA-N 316.857 4.832 30 20 DJED C=CC[C@@H](C)NC(=O)c1ccc(C)cc1Sc1ccccc1 543291619 QAAFMLOKEWERAA-OAHLLOKOSA-N 311.450 4.841 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCC(CC(F)(F)F)CC1 560168985 XZGFQJOUQRQUDI-UHFFFAOYSA-N 324.390 4.652 30 20 DJED C[C@H](SCC1(C#N)CCC1)C(=O)Nc1cccc2ccccc12 563622951 RVHJVWKJFROSJD-AWEZNQCLSA-N 324.449 4.594 30 20 DJED C=CCC[C@@H](NCc1c(C)c2ccccc2n1C)c1ccco1 671762723 KVYXNGFKBWXFAW-QGZVFWFLSA-N 308.425 4.877 30 20 DJED CC(=NNc1ccc(OCC(F)(F)F)cc1)c1ccccc1C 727261808 HBNAPNFKXWCOQE-UHFFFAOYSA-N 322.330 4.772 30 20 DJED Oc1ccc(Cl)cc1C=Nc1ccc(Oc2ccccn2)cc1 733750276 RSFWRPBKBHLJFW-UHFFFAOYSA-N 324.767 4.984 30 20 DJED C=CCN(C(=O)NCc1ccccc1Oc1ccccc1)C(C)C 745281423 OTNWNTMZJFTPGL-UHFFFAOYSA-N 324.424 4.585 30 20 DJED C[C@@H](OC(=O)Cc1coc2ccc3ccccc3c12)C(C)(C)C#N 753628601 KYWCIVDCCCGARL-CYBMUJFWSA-N 321.376 4.610 30 20 DJED CCc1cnccc1C(=O)/C=C\c1ccccc1C(F)(F)F 766771354 DSVNVVZYHJAIHQ-FPLPWBNLSA-N 305.299 4.559 30 20 DJED CC(C)CC(=NNc1cc(C#N)cc(Cl)n1)c1cccs1 768379487 ISIJRRGRICTYLT-UHFFFAOYSA-N 318.833 4.530 30 20 DJED CC(=NNc1cc(C)c2ccc(C)c(C)c2n1)c1ccc(F)cn1 770596410 NFLJMRPRPZJZHE-UHFFFAOYSA-N 322.387 4.530 30 20 DJED C[C@@H](CCCC(F)(F)F)Nc1ccccc1O[C@H](C)C#N 775547867 QXJQHOODJOPXQO-NWDGAFQWSA-N 300.324 4.510 30 20 DJED CCCC[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc(OCC#N)cc1 776155366 FBZCJQFEYWZKSM-SUMDDJOVSA-N 300.446 4.598 30 20 DJED O=C(/C=C\c1ccc(Cl)c(Br)c1)c1ccco1 776190505 WYCXSFIFBPYVHJ-XQRVVYSFSA-N 311.562 4.592 30 20 DJED Cc1ccccc1-c1cccc(/C=C\C(=O)c2cnn(C)c2C)c1 778519778 UASFDWSHVVEERZ-QXMHVHEDSA-N 316.404 4.600 30 20 DJED C[C@H]1CCc2c(F)cccc2[C@H]1Nc1nc(Cl)c(C#N)s1 804537421 UMFDDXHICNITFW-SDBXPKJASA-N 321.808 4.543 30 20 DJED CC(/C=C\C(=O)c1ccncc1)=C\c1ccccc1OC(F)F 811685175 KWWSJZMIERCPFB-NQFDUOLLSA-N 315.319 4.525 30 20 DJED CC(C)(C#N)[C@@H]1CCCC1=NNc1cccc(Br)c1 814786403 IFVSSSVLTQJLEO-CYBMUJFWSA-N 320.234 4.567 30 20 DJED C=CCOc1ccc(CNc2ccc(OC)cc2F)cc1Cl 864042265 CDKFMGMPAHCBID-UHFFFAOYSA-N 321.779 4.665 30 20 DJED N#CCCCCCC(=O)Nc1cc(Cl)cc(Cl)c1F 876461223 OPNUBOSQPFIWLH-UHFFFAOYSA-N 303.164 4.545 30 20 DJED N#C[C@H](CCc1ccccc1)c1nc(-c2cccc(Cl)c2)no1 904289334 UPCSVNAMBMTMIG-HNNXBMFYSA-N 323.783 4.630 30 20 DJED CCOc1cc(/C=C\C(=O)c2cccc3ccccc23)ccc1O 916134861 NRQQUSAWGKCQII-BENRWUELSA-N 318.372 4.840 30 20 DJED CC(C)c1ccc([C@@H](C)NN=Cc2csc(C3CC3)n2)cc1 920373744 OGCQWVYABUNSIJ-CYBMUJFWSA-N 313.470 4.829 30 20 DJED C=CCC[C@@H]1CCCN1C(=O)Nc1ccccc1C(F)(F)F 1123365045 ZTOSFCOBRQCHAF-GFCCVEGCSA-N 312.335 4.668 30 20 DJED C[C@H]1CCc2sc(NC(=O)CC3CCCC3)c(C#N)c2[C@@H]1C 1129356350 QRDPBVMPPSCTGO-NWDGAFQWSA-N 316.470 4.824 30 20 DJED CCCCN(Cc1ccccc1F)c1nc(Cl)c(C#N)s1 1185203016 CEFAAHIQDSLYSL-UHFFFAOYSA-N 323.824 4.614 30 20 DJED Cc1cc(Br)ccc1CN(CCC#N)CC(C)(C)C 1191133269 PCOPYYQRMSCMAZ-UHFFFAOYSA-N 323.278 4.519 30 20 DJED Cc1cc(C#N)cc(NC(=O)C[C@@H](C)c2ccc(C(C)C)cc2)n1 1274124598 KNJRGPHAIGEERU-CQSZACIVSA-N 321.424 4.517 30 20 DJED Cc1ccc2sc(COc3cc(Cl)ccc3C#N)nc2c1 1307319266 ICRHPGVMBKTLQC-UHFFFAOYSA-N 314.797 4.709 30 20 DJED Cc1cccc([C@H](C)N2CCC(c3ccc(C#N)cc3)CC2)c1 1308113773 IEBDLMYQPNXQGT-KRWDZBQOSA-N 304.437 4.807 30 20 DJED CC(C)Cc1nnc(-c2ccccc2Oc2ccccc2C#N)o1 1322350612 YCIJUNXIPKXGGK-UHFFFAOYSA-N 319.364 4.599 30 20 DJED N#Cc1ccc(Br)c(CSc2ccccc2F)c1 1458887762 MLILRHWEKJIXHD-UHFFFAOYSA-N 322.202 4.752 30 20 DJED C[C@@H]1CCCC[C@H]1CC(=O)N(c1ccc(C#N)cc1)C1CCC1 1461768290 KSNXPXRMWPYKJE-WBVHZDCISA-N 310.441 4.660 30 20 DJED Cc1ccc(C[C@@H](C)Nc2nc(C(C)(C)C)ccc2C#N)s1 1559110810 PGDREZHMUCBACG-GFCCVEGCSA-N 313.470 4.664 30 20 DJED CC[C@@H](CC(=O)Nc1ccc(C#N)c(F)c1)c1ccc(C)cc1 1584264234 LDMHLWQDQSQQMR-AWEZNQCLSA-N 310.372 4.528 30 20 DJED CSc1ccc(COc2c(C#N)cnc3ccc(C)cc23)cc1 1613812470 LELKPAZLJHTOMW-UHFFFAOYSA-N 320.417 4.716 30 20 DJED CC(C)C[C@@H]1CCCCN1Cc1cc(Cl)ccc1OCC#N 1642159275 JISQRIJMVMUTEZ-KRWDZBQOSA-N 320.864 4.643 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC[C@H]1CCCC(C)(C)C1 1651184039 RHZSGHJXMDPDKP-INIZCTEOSA-N 300.446 4.974 30 20 DJED CC(C)OC1CC(Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1652270445 PZHDAGACYVUDSI-UHFFFAOYSA-N 322.408 4.718 30 20 DJED C[C@@H](CN(C)[C@H](C)c1cccc(C#N)c1)c1cc(F)cc(F)c1 1652707825 QCYFAFYZVRYMJS-UONOGXRCSA-N 314.379 4.633 30 20 DJED Cc1cc(CN(Cc2ccc(Cl)cc2)C2CC2)ccc1C#N 1657641796 IREPGJZPDJVFSM-UHFFFAOYSA-N 310.828 4.685 30 20 DJED CC1(C)CN(Cc2ccc(C#N)cc2Cl)[C@@H]1c1cccs1 1658886528 LKBZHFWNSYLOSJ-MRXNPFEDSA-N 316.857 4.856 30 20 DJED O=C(O)c1ccc(/C=C\C(=O)c2cccc3ccccc23)cc1F 1776114695 XUHNULAEQDVSOU-LUAWRHEFSA-N 320.319 4.573 30 20 DJED C=CCC1(C(=O)O)CCN(CC2CCC(C(C)(C)C)CC2)CC1 1776158492 UEDZVKVOXNCVNP-UHFFFAOYSA-N 321.505 4.582 30 20 DJED N#Cc1cccc(C(=O)Nc2ccc3oc4ccccc4c3c2)c1 3518817 LGEZOAUOFVXNEM-UHFFFAOYSA-N 312.328 4.710 30 20 DJED Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 7276702 ISGXHNFWIVIXGD-UHFFFAOYSA-N 312.372 4.786 30 20 DJED N#Cc1cccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)c1 7325768 UQXGKKBTZZWBIL-UHFFFAOYSA-N 322.220 4.674 30 20 DJED C=C(C)CN(CC)C(=O)c1sc2cccc(C)c2c1Cl 22340334 LTIIGVLDFARNBU-UHFFFAOYSA-N 307.846 4.901 30 20 DJED Cc1cc(C(=O)/C=C/c2cnn(Cc3ccccc3)c2)c(C)s1 27122355 XTDZZQQINHMQOD-CMDGGOBGSA-N 322.433 4.506 30 20 DJED N#C[C@@H](C(=O)CCCC1CCCCC1)c1nc2ccccc2o1 41542725 LFWVMFSZUVDAMD-HNNXBMFYSA-N 310.397 4.755 30 20 DJED CN(C)c1ccc(C(=O)/C=C\c2ccccc2C(F)(F)F)cc1 96765833 RUJIGCQZUBXOJN-XFXZXTDPSA-N 319.326 4.668 30 20 DJED COc1cccc(CNc2ccccc2SC[C@H](C)C#N)c1 108354432 LUZXTVXFNSNZIU-CQSZACIVSA-N 312.438 4.559 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N(C)[C@@H](c1ccccc1)C(C)C 112737038 FHEASECPLMWOJM-LJQANCHMSA-N 321.424 4.728 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 124809279 FGAVWLOSTQGGTD-QGZVFWFLSA-N 303.833 4.772 30 20 DJED N#CCCCCSCCOc1ccc(C(F)(F)F)cc1 161744297 CGLNCBJUMOFIPJ-UHFFFAOYSA-N 303.349 4.511 30 20 DJED C[C@@H](C#N)Oc1ccccc1N[C@H](C)CCc1ccc(F)cc1 162272513 AITXOLHLIVPPAF-CABCVRRESA-N 312.388 4.550 30 20 DJED CC[C@H](NCCCC(C)(C)C#N)c1ccccc1OC(F)F 179715149 DIXTZLGVFBVEPR-AWEZNQCLSA-N 310.388 4.659 30 20 DJED C[C@H]1CCCCN1Cc1ccc(NCc2ccc(C#N)cc2)cc1 237527606 NOIMEBLTXAENMJ-KRWDZBQOSA-N 319.452 4.545 30 20 DJED O=C(/C=C\c1csc(-c2ccsc2)n1)c1cccs1 255831102 RYALJELKZVTQMA-ARJAWSKDSA-N 303.433 4.829 30 20 DJED C=CCOc1ccccc1CN[C@@H](CC)c1ccccc1OC 390348280 XXSQXNHTKBGSKO-SFHVURJKSA-N 311.425 4.501 30 20 DJED C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccccc1C(F)(F)F 404755211 KPNAGZMZXNMVBD-LLVKDONJSA-N 322.305 4.567 30 20 DJED C=C(C)[C@H](NCc1oc(C(C)C)nc1C)c1ccc(F)c(F)c1 428426968 QFLLYJCSRGHVSU-KRWDZBQOSA-N 320.383 4.792 30 20 DJED C=CCC(C)(C)C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl 429824155 DCBMWEOFIAHXCZ-JTQLQIEISA-N 300.229 4.773 30 20 DJED COc1cccc(CCCSCc2ccc(C#N)cc2F)c1 437439374 NYIGKZNUVBOTIK-UHFFFAOYSA-N 315.413 4.572 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1Cl)c1c(F)cccc1Cl 439440816 QQAKZAYZTAOZAG-SNVBAGLBSA-N 323.198 4.855 30 20 DJED N#C[C@H]1CCC[C@@H](NC2(c3c(Cl)cccc3Cl)CC2)C1 447601438 QBUGMVHWEBDHNN-NWDGAFQWSA-N 309.240 4.654 30 20 DJED Cc1c([C@H](C)NCCc2cccc(C#N)c2)oc2ccccc12 467429801 NFSUGDANKZWKQT-HNNXBMFYSA-N 304.393 4.506 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1)CC(C)C 476769311 WKWJXECDRLJFBL-UHFFFAOYSA-N 321.424 4.557 30 20 DJED C=C(C)[C@@H](NCc1ccc(C#N)c(C)c1)c1ccc(F)c(F)c1 488040614 GJDZAOGWMRDLFL-LJQANCHMSA-N 312.363 4.552 30 20 DJED CC(C)CN(C(=O)C[C@@H](C)c1ccccc1)c1ccc(C#N)cc1 499321184 XWJSYEABSGJYCB-QGZVFWFLSA-N 320.436 4.741 30 20 DJED CC(C)c1ccsc1C(=O)N[C@@H](C#N)c1ccccc1Cl 505684332 OJXGHGFGZYHHLV-AWEZNQCLSA-N 318.829 4.520 30 20 DJED C=CCOc1cccc(NC(=O)N[C@@H](c2ccccc2)C2CC2)c1 510521812 FSEQGKCBOSVITO-IBGZPJMESA-N 322.408 4.524 30 20 DJED C=CC[C@@H](C)NC(=O)N[C@H](c1oc2ccccc2c1C)C(C)C 522664812 DKTDKPLVUVWFCK-DYVFJYSZSA-N 314.429 4.702 30 20 DJED C[C@H](SCc1cc(C#N)ccc1F)c1ccc(F)c(F)c1 522961235 KNWZSHRQAVZZTB-JTQLQIEISA-N 307.340 4.970 30 20 DJED CCC(C#N)(CC)c1nc(Cc2c(Cl)cccc2Cl)no1 528063534 ASODPVVXZMVOLH-UHFFFAOYSA-N 324.211 4.549 30 20 DJED CC(C)(C)c1cc(NC(=O)c2cccc(Cl)c2)c(C#N)s1 534520141 FXRDWEGCFVOMSA-UHFFFAOYSA-N 318.829 4.823 30 20 DJED N#Cc1csc(CNc2nc3ccccc3n2C2CCCC2)c1 537506176 JRJJYMPPGZMAGL-UHFFFAOYSA-N 322.437 4.697 30 20 DJED Cc1cc(C)cc(-n2nc(NCCCC(C)(C)C#N)cc2C)c1 538539098 AQJQLYUFGBHWHA-UHFFFAOYSA-N 310.445 4.539 30 20 DJED C[C@H](c1ccccc1)N(C(=O)c1ccc(Cl)c(C#N)c1)C1CC1 553137085 JASFVCLWJBUSNV-CYBMUJFWSA-N 324.811 4.577 30 20 DJED Cc1cccc([C@@H](c2noc(C3(C#N)CCCC3)n2)C(C)C)c1 567311682 OVDPQOJNMLFVSQ-INIZCTEOSA-N 309.413 4.501 30 20 DJED O=C(/C=C\c1cccnc1Cl)c1ccc(-c2ccncc2)cc1 745990589 VIOPEMMCWFONBT-FPLPWBNLSA-N 320.779 4.693 30 20 DJED C[C@H](OC(=O)[C@H](C)c1cccc(Cl)c1)c1ccc(C#N)cc1 748680715 VVAXLZVEEZNQPN-OLZOCXBDSA-N 313.784 4.620 30 20 DJED C=CC[C@H](NCc1ccc(C(F)(F)F)s1)c1ccncc1 758346286 ZBZIKLHBTQQJJA-ZDUSSCGKSA-N 312.360 4.569 30 20 DJED CC(C)CC(=NNc1ccc(OC(F)F)cc1)c1ccccn1 760247673 DPZDVUPEZCFMGM-UHFFFAOYSA-N 319.355 4.545 30 20 DJED C#CCC(C)(C)C(=O)N[C@H](C)c1ccc(Cl)c2ccccc12 767101263 SOSWXCHBHUSHLV-CYBMUJFWSA-N 313.828 4.720 30 20 DJED C[C@H](SCCO[C@H](C)C#N)c1cc(Cl)ccc1Cl 802750964 FJTDMDFXPCGTAY-ZJUUUORDSA-N 304.242 4.716 30 20 DJED C[C@H]1CCc2c(F)cccc2[C@@H]1Nc1nc(Cl)c(C#N)s1 804537419 UMFDDXHICNITFW-ISVAXAHUSA-N 321.808 4.543 30 20 DJED CC1(C)CCCC[C@H]1CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842940349 BVOIWTTWHKHAGS-UONOGXRCSA-N 316.470 4.803 30 20 DJED O=C(c1cc2ccccc2o1)N(O)Cc1cccc2ccccc12 901367810 LSRATJZKJLFIMF-UHFFFAOYSA-N 317.344 4.618 30 20 DJED O=C(/C=C/c1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1 916127585 NHTQFACRHWVYFR-QPJJXVBHSA-N 312.237 4.880 30 20 DJED CC(=NNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 916286510 JDNXKGXYIJCREC-UHFFFAOYSA-N 313.710 4.590 30 20 DJED Cc1ccc2c(c1)C/C(=C/c1ccc(C(F)(F)F)cc1)C2=O 921264499 VAIOJLRSLWVCOU-ZROIWOOFSA-N 302.295 4.836 30 20 DJED CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(C#N)c(F)c2)cc1 1129566329 FDAUGAJQEFVGJM-AWEZNQCLSA-N 324.399 4.638 30 20 DJED C[C@@H](CC(=O)N(c1ccc(C#N)cc1)C1CCC1)CC(C)(C)C 1131372134 VOANMLOBSXNWDS-HNNXBMFYSA-N 312.457 4.906 30 20 DJED Cc1cc(CN[C@@H]2CCC[C@H](C#N)C2)ccc1-c1ccccc1 1308707400 VUTFLUZOSCHWLF-FXAWDEMLSA-N 304.437 4.834 30 20 DJED CSc1ccccc1C(=O)/C=C/c1ncc(-c2ccccc2)[nH]1 1321180186 QZFQEYALMSTJKN-VAWYXSNFSA-N 320.417 4.695 30 20 DJED Cc1coc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1C 1323344273 WAOVXGOMIFACGQ-UHFFFAOYSA-N 322.389 4.749 30 20 DJED N#Cc1ccccc1NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 1337094628 BEZPZJRJUMKLIU-AATRIKPKSA-N 317.175 4.517 30 20 DJED CC(C)(C)c1cnc([C@H](C#N)C(=O)C23CCC(CC2)CC3)s1 1343475258 YHFYZHZCJKFXEK-YNAXMUEKSA-N 316.470 4.587 30 20 DJED CC(C)C[C@H](C(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccccc1 1361169212 ZCFBRJKXGBRZAD-UZLBHIALSA-N 321.420 4.992 30 20 DJED CCC(CC)(CC)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1435305953 ZLJLGCWVDMBXLL-UHFFFAOYSA-N 312.335 4.732 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCC[C@@H]1C1CCCCC1 1459311635 KNGRJOKDQZBRJD-GOSISDBHSA-N 302.849 4.756 30 20 DJED CC(C)[C@@H]1CCCCCN1Cc1ccc(C#N)cc1OC(F)F 1459833305 XIQSQFHFASRSER-INIZCTEOSA-N 322.399 4.560 30 20 DJED Cc1nc(NCc2ccc(C3CCC3)cc2)c(Cl)cc1C#N 1472756434 IDTGGFYVJJPEFD-UHFFFAOYSA-N 311.816 4.795 30 20 DJED Cc1cc(C)c(C#N)c(SCCc2c(F)cccc2Cl)n1 1559318203 GPFWJSNNAZVLHR-UHFFFAOYSA-N 320.820 4.697 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)C[C@@H]1CCCC[C@H]1C 1565799340 YNQGIDHRORDAKQ-ZBFHGGJFSA-N 313.445 4.535 30 20 DJED CCCC[C@@H](CC)CC(=O)N(CCC#N)c1ccc(C)cc1 1603045864 KFPYKHXSMNURAW-QGZVFWFLSA-N 300.446 4.848 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 1615387756 NRZDWQOMLAHTHV-GIUOSPMZSA-N 308.469 4.657 30 20 DJED CC(C)[C@@H](Cc1ccccc1)NCc1ccc(C#N)cc1Cl 1620580343 UMXCMRGOSUQMMK-LJQANCHMSA-N 312.844 4.569 30 20 DJED N#Cc1ccc(SCc2ccc(F)c3cccnc23)c(F)c1 1640939474 VANWEFOJPCAEMF-UHFFFAOYSA-N 312.344 4.677 30 20 DJED N#Cc1cccc(CSc2nc3cc(F)ccc3s2)c1 1641409385 JFNHWGKQLNPSQA-UHFFFAOYSA-N 300.383 4.599 30 20 DJED CC[C@@H]1CN([C@H](C#N)c2ccccc2)CC[C@H]1c1ccccc1 1641976927 KYDVNKOCMFRQOA-DUXKGJEZSA-N 304.437 4.767 30 20 DJED Cc1cc(C#N)ccc1CN[C@H](C)c1cc(Cl)ccc1F 1642416074 RPYDHSSSOOSPNB-GFCCVEGCSA-N 302.780 4.510 30 20 DJED N#CC1(CCN2CC[C@@H]2c2ccc(Cl)cc2)CCCCC1 1645608548 AOSCFEAKZFZGQI-QGZVFWFLSA-N 302.849 4.951 30 20 DJED Cc1cccc(C2(CNc3ccc(C#N)cn3)CCCCC2)c1 1654985831 RUCXSUJKDGTTIL-UHFFFAOYSA-N 305.425 4.576 30 20 DJED CN(C(=O)Nc1scc(C(C)(C)C)c1C#N)C1CC(C)(C)C1 1671685891 GSLOOMMDLPYFEA-UHFFFAOYSA-N 319.474 4.570 30 20 DJED CCC(CCC(F)(F)F)=NNc1ccc(Cl)c(C(=O)O)c1 1776034624 PYNZYBZXQMPDGR-UHFFFAOYSA-N 322.714 4.559 30 20 DJED CC(C)(C)c1ccc(C(=O)/C=C\c2ccc(/C=C/C(=O)O)o2)cc1 1776120123 WJJDQEIQSGEGMS-PJABCKPXSA-N 324.376 4.571 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCC1CCC(C)(C)CC1 1776783300 NSNYGOSWSNEYND-QGZVFWFLSA-N 311.510 4.996 30 20 DJED CN(Cc1ccc(C#N)cc1F)Cc1ccc(Cl)cc1Cl 11222928 BHLYLPQMVROZGS-UHFFFAOYSA-N 323.198 4.636 30 20 DJED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1C(C)(C)C 43314826 HPXCCCNFDRNGCG-UHFFFAOYSA-N 321.424 4.520 30 20 DJED C=CCOc1cccc(NC(=O)Cc2ccc3ccccc3c2)c1 65749367 SLINUXGREILCME-UHFFFAOYSA-N 317.388 4.586 30 20 DJED Cc1noc(C)c1/C=C/C(=O)c1ccc(SC(F)F)cc1 116609514 NKRLXPJRDVBLNP-BQYQJAHWSA-N 309.337 4.502 30 20 DJED C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)c2cccnc2)cc1 158569445 PTALIINIOUEGJV-CABCVRRESA-N 316.832 4.625 30 20 DJED O=C(/C=C/c1cccnc1Cl)c1ccccc1C(F)(F)F 171536425 KKRPDRFVYRUERC-BQYQJAHWSA-N 311.690 4.650 30 20 DJED CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccccc1S[C@H](C)CC#N 249419239 HGLQDUJSQZCIDG-LBTNJELSSA-N 316.470 4.702 30 20 DJED COc1ccc2cc(C(=O)/C=C\c3scnc3C)ccc2c1 255683258 YTGXADNRPCJZJK-FPLPWBNLSA-N 309.390 4.509 30 20 DJED CCCCCCCCCC(=O)Nc1cccc(NC(C)=O)c1 301762831 NKOONPBHWBDJLA-UHFFFAOYSA-N 304.434 4.724 30 20 DJED CCC[C@@H](Nc1ccc(C#N)nn1)c1ccc(Cl)c(Cl)c1 301963468 JCVWYVJJUAAAIW-CQSZACIVSA-N 321.211 4.608 30 20 DJED CC[C@@H](C)n1ncc(N=C(O)N2CCCC23CCCCC3)c1C 330128968 NZMHQZICWDEERY-CQSZACIVSA-N 318.465 4.507 30 20 DJED C=C[C@H](CC(=O)NCC[C@@H](C)c1ccccc1)c1ccccc1 410217887 VQBZVYPWSOUSOD-QZTJIDSGSA-N 307.437 4.656 30 20 DJED C=CCC[C@@H](NC(=O)c1ccccc1SC)c1ccccc1 435300407 GGVKQHVLDRDAIS-QGZVFWFLSA-N 311.450 4.846 30 20 DJED CC[C@H](Nc1ccc(C)c2ncccc12)c1ccc(C#N)cc1 447602939 WIJVHDDSROJRDI-SFHVURJKSA-N 301.393 4.978 30 20 DJED C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1Cl 453250650 YIAODWUJMUJMIJ-BBATYDOGSA-N 314.791 4.689 30 20 DJED N#CCCCNCc1ccccc1Oc1ccc(F)cc1Cl 461402247 WHHCEWKNANGUMP-UHFFFAOYSA-N 318.779 4.665 30 20 DJED C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)c1cccc(C#N)c1 463066744 BCTXQWPDUVXUQF-SNVBAGLBSA-N 319.191 4.607 30 20 DJED CCCC[C@H](CC)C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 463312417 SZHZTNFDFZAZAL-RDJZCZTQSA-N 300.446 4.684 30 20 DJED C=C(C)[C@@H](NC(=O)Nc1cccc(F)c1)c1ccc(F)c(F)c1 478840538 SERWAJOBQAYGQO-MRXNPFEDSA-N 320.314 4.543 30 20 DJED Cc1cccc([C@H](NCc2ccc(C#N)c(C)c2)C(F)(F)F)c1 488309154 ODVJNFBEHQYELN-KRWDZBQOSA-N 318.342 4.568 30 20 DJED C=C(C)CNC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 488643538 LGFRMGWYKIEZCD-INIZCTEOSA-N 308.425 4.632 30 20 DJED C=CC[C@H](C(=O)Nc1ccc(-c2ccc[nH]2)cc1)c1ccccc1 489643772 OLTTXSUEWWGNGP-IBGZPJMESA-N 316.404 4.980 30 20 DJED Cc1c([C@H](C)Nc2nc3c(cc2C#N)CCC3)oc2ccccc12 516671613 BSXXJWLLHIIOKU-ZDUSSCGKSA-N 317.392 4.670 30 20 DJED CCN(C(=O)C[C@@H]1CCCC[C@@H]1C)[C@H](C)c1ccc(C#N)cc1 518808423 IVCBDYUDUGRBKL-FCEWJHQRSA-N 312.457 4.684 30 20 DJED C=C[C@H](CC(=O)N1CC[C@H](c2ccc(F)cc2)C1)c1ccccc1 530312828 WBBBKMXKJGLFDA-APWZRJJASA-N 323.411 4.502 30 20 DJED C=C[C@@H](CC(=O)Nc1cccc(CSC)c1)c1ccccc1 536245176 SIRDRMLYRQQWIA-INIZCTEOSA-N 311.450 4.848 30 20 DJED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C)CCC(C)(C)C 541607184 BZSLMXVYFKTAEY-MRXNPFEDSA-N 312.457 4.535 30 20 DJED CCCC(C#N)(CCC)NC(=O)c1ccc(SC2CC2)cc1 542165378 XAHIIMCOHBNUGI-UHFFFAOYSA-N 316.470 4.533 30 20 DJED COc1ccc2cc([C@@H](C)NCC(C)(C)CCC#N)ccc2c1 554075253 VGBQNPXIFRIEPU-OAHLLOKOSA-N 310.441 4.829 30 20 DJED C[C@H](Nc1cn(C)nc1C1CCCCC1)c1ccc(C#N)cc1 560355648 JIYQOAYNZROGCD-AWEZNQCLSA-N 308.429 4.513 30 20 DJED C/C=C\c1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1 561652469 RVVCDVVSHPBBRR-OWIVYFSNSA-N 304.393 4.746 30 20 DJED Cc1ccc2sc(C(=O)Nc3cc(C#N)ccc3C)cc2c1 575222216 VMIMBDWUYHOUJB-UHFFFAOYSA-N 306.390 4.642 30 20 DJED C[C@@H](SCc1cccnc1C(F)(F)F)c1cccc(C#N)c1 600626301 GNONDCOOLKEKKY-LLVKDONJSA-N 322.355 4.966 30 20 DJED C#Cc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cn1 728798376 IFMQORHXWGSSDA-UHFFFAOYSA-N 306.409 4.562 30 20 DJED CCCCCCCCC(=O)N1CCCO[C@@H](c2ccccc2)C1 729834763 FONAAEBMSCTYDV-LJQANCHMSA-N 317.473 4.727 30 20 DJED COCc1ccc(/C=C\C(=O)c2oc3ccccc3c2C)cc1 741846803 CANMAWMPKTXFEM-QXMHVHEDSA-N 306.361 4.784 30 20 DJED C=C(C)CNC(=S)N(Cc1ccccc1)[C@@H](C)c1ccccc1 745647475 NUYPXYOKFKKPRH-KRWDZBQOSA-N 324.493 4.700 30 20 DJED CCc1ccccc1NN=C(C)c1ccc(SC)c(OC)c1 747611362 RMZUQQOMNYAQPY-UHFFFAOYSA-N 314.454 4.816 30 20 DJED CCCCCC[C@H](C)C(=O)N[C@H](CCC#N)c1ccccc1 749035746 ROSCJKGJUFPBSG-FUHWJXTLSA-N 300.446 4.754 30 20 DJED O=C1/C(=C/c2cnc(C3CCC3)s2)Cc2cc(Cl)ccc21 760266657 XRQLGXHVPCHDML-XYOKQWHBSA-N 315.825 4.886 30 20 DJED CC(C)COc1ccc(/C=C/C(=O)c2ccc(C#N)s2)cc1 762443558 QESUAUHFCRDNSE-WEVVVXLNSA-N 311.406 4.551 30 20 DJED CC[C@@H](C)N(Cc1ccccc1)Cc1ccc(O[C@@H](C)C#N)cc1 768192661 BDLCJPCUOMXEKV-MSOLQXFVSA-N 322.452 4.778 30 20 DJED CC(C)c1nc(C#N)c(NN=C2C[C@H](c3ccccc3)C2(C)C)o1 768481679 FHAKLTOTVIXNQM-CQSZACIVSA-N 322.412 4.651 30 20 DJED CCn1nc(/C=C/C(=O)c2ccc(Cl)cc2)c2ccccc21 769741940 HRPLGQNRBBFSMC-VAWYXSNFSA-N 310.784 4.606 30 20 DJED C=CCN(C(=S)Nc1ccccc1-c1ccccc1)C1CC1 771550544 YQNCSRBLHNXCGS-UHFFFAOYSA-N 308.450 4.701 30 20 DJED C[C@@H](Nc1ccc2c(c1)CC(C)(C)O2)c1ccc(C#N)c(F)c1 777700965 KUGHIABTAUSHAW-GFCCVEGCSA-N 310.372 4.584 30 20 DJED C[C@@H](C#N)Oc1ccccc1NCc1ccc(C2CCC2)cc1 783217886 SGIJEMXMTFJTTI-HNNXBMFYSA-N 306.409 4.857 30 20 DJED Cc1c(C(=O)/C=C\c2ccccc2C(F)(F)F)cnn1C(C)C 787186533 KEZRCVGVCKEILC-HJWRWDBZSA-N 322.330 4.687 30 20 DJED N#CCSc1ccccc1C(=O)Nc1ccc(C2CCC2)cc1 787683798 CCQAFFVIDHXVSF-UHFFFAOYSA-N 322.433 4.822 30 20 DJED CC(CC(C)(C)c1c[nH]c2ccccc12)=NNc1ncccc1F 794993219 JPZSBULYJUZATA-UHFFFAOYSA-N 324.403 4.858 30 20 DJED CSc1ccc2c(c1)CC/C(=C\c1cccc(F)c1C#N)C2=O 811689852 NNXCVCMWRIKLEK-NTEUORMPSA-N 323.392 4.632 30 20 DJED Cc1cccc2c1[C@@H](Nc1cccc(OCCCC#N)c1)CC2 863985062 VVXHKNTXRUUJLE-IBGZPJMESA-N 306.409 4.777 30 20 DJED Cc1sc(NC(=O)C(C)(C)C2CCCCC2)c(C#N)c1C 1124064180 PDXOGSRLDKCORM-UHFFFAOYSA-N 304.459 4.782 30 20 DJED CC(C)CC(CC(C)C)C(=O)Nc1cc(C#N)cn1C(C)(C)C 1125333349 USWISXXZHGQNSD-UHFFFAOYSA-N 317.477 4.762 30 20 DJED CC(C)[C@H]1CC[C@H](C(=O)Nc2sc3c(c2C#N)CCC3)CC1 1144643913 OIVRIISDINLDSS-JOCQHMNTSA-N 316.470 4.509 30 20 DJED CC(C)(C)c1ccc(C#N)c(OCc2cccc(F)c2Cl)n1 1166382516 DPNQRSPFSYORFS-UHFFFAOYSA-N 318.779 4.622 30 20 DJED COc1cc(C#N)ccc1CSCc1ccc(SC)cc1 1189246175 RWMKFEYHMFWWAU-UHFFFAOYSA-N 315.463 4.722 30 20 DJED N#Cc1cc(NC(=O)c2ccccc2)ccc1Oc1ccccc1 1269953528 UDUWYVWATSRCRC-UHFFFAOYSA-N 314.344 4.603 30 20 DJED CC(C)(C#N)CNC(CCc1ccccc1)CCc1ccccc1 1308672319 LCVXRIJMXODHIX-UHFFFAOYSA-N 320.480 4.760 30 20 DJED C=CCC(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)o1 1322521715 MXHIAAHAHGDKPI-UHFFFAOYSA-N 307.353 4.627 30 20 DJED C[C@@H](C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C1CCC1 1360158111 GOGNUVTWTWECRS-CQSZACIVSA-N 320.392 4.725 30 20 DJED CC(C)(C)c1cc(NC(=O)C2CCC3(CC2)CC3)c(C#N)s1 1458456449 SAQZAUREQYAQGI-UHFFFAOYSA-N 316.470 4.826 30 20 DJED CC(C)c1ccc(C(=O)N(c2cccc(C#N)c2)C2CCC2)cc1 1461561395 QCBYBAWISJBIIU-UHFFFAOYSA-N 318.420 4.881 30 20 DJED N#Cc1cccc(SCCc2ccccc2Br)c1 1472996865 MOHCAKYSNQVSHP-UHFFFAOYSA-N 318.239 4.656 30 20 DJED N#CC1(CN[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CCC1 1474585257 NOHUWURHASGPOU-HOTGVXAUSA-N 322.374 4.625 30 20 DJED CC1(C)CCCC[C@H]1CC(=O)N[C@H](CCC#N)c1ccccc1 1519311368 BEDMWMHBSAHHBC-ZWKOTPCHSA-N 312.457 4.754 30 20 DJED CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)CC1(C#N)CCCCC1 1519854060 QMTTXYQMUPZVBZ-IRXDYDNUSA-N 318.505 4.819 30 20 DJED CC(C)[C@H]1CC[C@H](C(=O)N(C)c2cc(Cl)ccc2C#N)CC1 1524848647 CCCCKJXFKHXYPA-HDJSIYSDSA-N 318.848 4.637 30 20 DJED CC1(C)CC(NC(=O)CC2(C#N)CCCCC2)CC(C)(C)C1 1527180524 MQDGKRXLHNDQSH-UHFFFAOYSA-N 304.478 4.572 30 20 DJED CC(C)CC(CC(C)C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 1531747867 RPGBNODSKZPJNK-HNNXBMFYSA-N 301.430 4.871 30 20 DJED CC(C)(C)CN(CCC#N)Cc1ccc(F)c(C(F)(F)F)c1 1621144517 IJZNLZIUVSQSDE-UHFFFAOYSA-N 316.342 4.606 30 20 DJED C[C@H]1CCC[C@@H]([C@H](C)Nc2nc(C(F)(F)F)ccc2C#N)C1 1651151443 SPGXLQBFNGRGDK-SDDRHHMPSA-N 311.351 4.599 30 20 DJED CC(C)(CNc1nc(C(C)(C)C)ccc1C#N)Cc1ccccc1 1651525123 AYQSZLZFHSWCDH-UHFFFAOYSA-N 321.468 4.932 30 20 DJED Cc1c(C#N)c(S[C@@H]2CCCc3ccccc32)nc2c1CCC2 1651686481 UYXKRJSUDKHFOD-LJQANCHMSA-N 320.461 4.920 30 20 DJED N#CCc1ccc(CN2CCCCC[C@H]2c2ccccc2)cc1 1657138390 VBEVNWCDIZQNQV-NRFANRHFSA-N 304.437 4.870 30 20 DJED CCC1CCC(N(Cc2ccc(C#N)cc2F)C2CC2)CC1 1658553964 YJHOKHFYJBHXIE-UHFFFAOYSA-N 300.421 4.631 30 20 DJED Cc1c(CN2CCC[C@](C)(C#N)C2)sc2c(Cl)cccc12 1659191172 VKISSHPTXIFUDG-QGZVFWFLSA-N 318.873 4.989 30 20 DJED CCCCc1ccc(C(=O)/C=C\c2ccc(/C=C\C(=O)O)o2)cc1 1776806046 XXNIOAZOVNOWIS-XSYHWHKQSA-N 324.376 4.616 30 20 DJED C/C=C(/C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 89967211 QLVLKMQREMYCKC-JUSXSOTRSA-N 316.813 4.606 30 20 DJED CCCCN(CC)C(=O)Nc1ccccc1S[C@H](C)CC#N 109028122 WQSXFKYKNPMKTF-CQSZACIVSA-N 319.474 4.735 30 20 DJED C[C@H](NCc1ccc(C#N)cc1F)c1ccc(Cl)c(Cl)c1 120102728 UUJUYFCFVLHHQV-JTQLQIEISA-N 323.198 4.855 30 20 DJED C[C@@H](C#N)CSc1ccccc1NCc1cc(F)ccc1F 176880665 LWERGFQAZPDQBR-LBPRGKRZSA-N 318.392 4.829 30 20 DJED C[C@@H](NCc1ccc(F)c(C#N)c1)c1cc2ccccc2s1 184379752 JZQGXWBIFZOWHM-GFCCVEGCSA-N 310.397 4.763 30 20 DJED COc1ccccc1/C=C\C(=O)c1ccc(C(F)(F)F)cc1 206979703 NPMSLXGNGZSRDQ-FLIBITNWSA-N 306.283 4.610 30 20 DJED C#CCCOc1ccc(CN[C@@H](C)c2cc3ccccc3o2)cc1 237479340 PZQQSMPHYLWVRE-INIZCTEOSA-N 319.404 4.686 30 20 DJED Cc1cc(C)c(C[S@](=O)CCCCC(C)(C)C#N)c(C)c1 277939311 QLKLRFIPDSIGMX-OAQYLSRUSA-N 305.487 4.581 30 20 DJED N#C[C@H](NC(=O)CC1=CCCCC1)c1cccc(Cl)c1Cl 303366048 INTACWOTQBCQJP-AWEZNQCLSA-N 323.223 4.565 30 20 DJED CC1(C)C(O)=Nc2cc(/C(O)=N/CCC3=CCCCC3)ccc21 328683903 DSXUZSLTEXSEBG-UHFFFAOYSA-N 312.413 4.761 30 20 DJED CO[C@H](/C(O)=N/[C@H]1CCCCC12CCCC2)c1ccc(O)cc1 329724970 GCQUFCVKGFLIQF-IRXDYDNUSA-N 317.429 4.539 30 20 DJED C[C@H]1C[C@H](C(O)=Nc2nc3c(Cl)cccc3s2)CCC1=O 330138197 OFZJHQOGWZMXHB-DTWKUNHWSA-N 322.817 4.543 30 20 DJED CC(C)Sc1ccc([N+](=O)[O-])cc1/C(O)=N/[C@@H]1CCC[C@@H]1C 330369880 CTWOPZLQRKDSML-SMDDNHRTSA-N 322.430 4.589 30 20 DJED CC(C)c1occc1/C(O)=N/C[C@@H]1CCCO[C@H]1C(C)(C)C 331096500 MCUMTWIZEFCWFC-XJKSGUPXSA-N 307.434 4.549 30 20 DJED CC[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1F 353280082 ZTEUEBDNWMURDT-MOPGFXCFSA-N 312.363 4.565 30 20 DJED CS[C@@H](C)CCC(=O)Nc1ccccc1S[C@@H](C)CC#N 358412765 ZRFXJYRFOPCLMO-STQMWFEESA-N 322.499 4.551 30 20 DJED Cc1c(NCC#Cc2ccc(Cl)cc2)cccc1-c1ncco1 427422528 WGXUARIDWRXVKO-UHFFFAOYSA-N 322.795 4.767 30 20 DJED CC[C@H](C)[C@@H](C(=O)Nc1cccc(C#N)c1C)c1ccccc1 432835940 KHELWPHBCFOLSS-IFXJQAMLSA-N 306.409 4.635 30 20 DJED C=CCN(C(=O)Nc1cc(-c2ccc(C)o2)ccc1C)C1CC1 432995382 XFHFHCLPSOQZMD-UHFFFAOYSA-N 310.397 4.746 30 20 DJED Cc1cc2c(S[C@@H](C)c3cccc(C#N)c3)ncnc2s1 443147175 VNDMBIKBTJZBKE-NSHDSACASA-N 311.435 4.725 30 20 DJED CCOc1ccc([C@@H]2CCCN2CCCCC(C)(C)C#N)cc1 444585158 XJHPRLMYUOQFML-IBGZPJMESA-N 314.473 4.942 30 20 DJED N#Cc1csc(CN[C@H](c2ccc(F)c(Cl)c2)C2CC2)c1 449454587 ZVPFJRMVDKLKCZ-INIZCTEOSA-N 320.820 4.653 30 20 DJED CC(C)[C@@H]1CCc2ccccc2[C@@H]1NCc1cc(C#N)cs1 462541729 HDYWUEJRQNQZGK-PKOBYXMFSA-N 310.466 4.669 30 20 DJED CN(Cc1ccccc1)c1ccccc1N[C@H]1CCC[C@H](C#N)C1 463294664 FHUNLCJYRILNJO-OALUTQOASA-N 319.452 4.817 30 20 DJED CC(C)(C)CCCC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 464951340 JMTMHFFYNOIDLU-MSOLQXFVSA-N 312.457 4.501 30 20 DJED CCC(C)(C)c1ccc(NC(=O)c2cccc(CC#N)c2)cc1 468756069 AHDBCMFXIJRJBM-UHFFFAOYSA-N 306.409 4.693 30 20 DJED C[C@@H](SCc1cnn(-c2ccccc2)c1)c1ccc(C#N)cc1 468828054 CUAXVWQWGDTYHF-OAHLLOKOSA-N 319.433 4.738 30 20 DJED C=C[C@](C)(CC)C(=O)N1CCC(c2cccc(Cl)c2)CC1 478270309 YIHLIJYUAPQWPP-GOSISDBHSA-N 305.849 4.648 30 20 DJED CSc1cccc(C)c1NCc1ccc(Cl)cc1C#N 478348768 ZBVNJOITEMWNCP-UHFFFAOYSA-N 302.830 4.854 30 20 DJED C[C@@H](NCCCCc1ccc(F)c(F)c1)c1ccc(C#N)cc1 478417497 NBWRVRQCQQJSIO-CQSZACIVSA-N 314.379 4.510 30 20 DJED C=CCC[C@H](C(=O)N[C@@H](C)c1ccc(OC)cc1)c1ccccc1 487669652 VXZLSJHWBAXZTQ-JXFKEZNVSA-N 323.436 4.622 30 20 DJED C=CCOc1cccc(CN[C@H](c2ccccc2C)C2CC2)c1 489074812 VYNWPRBFVDEEHT-NRFANRHFSA-N 307.437 4.801 30 20 DJED COc1ccc(/C=C/c2ccc(C#N)cn2)cc1OCCC(C)C 496569887 HYQFBHINXSIIIF-QPJJXVBHSA-N 322.408 4.557 30 20 DJED CCCN(CC)C(=O)c1ccccc1Sc1ccccc1C#N 501624377 NSESQWCAPRWOAB-UHFFFAOYSA-N 324.449 4.582 30 20 DJED C=C[C@H]1CCCCN1C(=O)c1sc2cc(F)ccc2c1C 509182920 HYUSLGNNXZDSJE-ZDUSSCGKSA-N 303.402 4.530 30 20 DJED C=C(C)[C@H](CC(=O)Nc1ccccc1Cc1ccccc1)OCC 534415037 AEWRTOOHHGPZOP-FQEVSTJZSA-N 323.436 4.587 30 20 DJED C=C(C)[C@H](CC(=O)N1CCCCC[C@@H]1c1ccccc1)OCC 534425781 QMDPWYOXBPGPBE-MOPGFXCFSA-N 315.457 4.502 30 20 DJED N#CCC[C@@H](N[C@H]1CCc2c(Cl)cccc21)c1ccccc1 539046783 MMXTUANKDSFLRA-MOPGFXCFSA-N 310.828 4.962 30 20 DJED CCc1cccc(NC(=O)c2ccc(C#N)c(Cl)c2)c1CC 572432973 QAUXLRDGRXBOHE-UHFFFAOYSA-N 312.800 4.589 30 20 DJED CC(C)CC[C@@H](NC(=O)N1CCC(CCC#N)CC1)C(C)(C)C 573115202 LUSDVPZFGMMHTD-QGZVFWFLSA-N 321.509 4.563 30 20 DJED N#CCCCCCC(=O)Nc1ccc(CCC(F)(F)F)cc1 588160528 AMYCCGGVSYGCAQ-UHFFFAOYSA-N 312.335 4.594 30 20 DJED Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)CCCCCC#N)cc1 588639220 YHJNWOQYSHNECC-FXAWDEMLSA-N 312.457 4.769 30 20 DJED C[C@H](NC(=O)CCCCCC#N)c1ccc(F)c2ccccc12 588771275 QTCSGFQAIRMAHQ-AWEZNQCLSA-N 312.388 4.630 30 20 DJED N#CCCCCCC(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 591095771 IBGZMNITSOMBTJ-WBVHZDCISA-N 318.848 4.566 30 20 DJED N#CCC1(CSc2nnc(-c3cccc4ccccc34)o2)CC1 594887538 MIASMTLYRJOYJP-UHFFFAOYSA-N 321.405 4.676 30 20 DJED N#Cc1cncc(-c2cc(F)cc(COC3CCCCC3)c2)c1 596641455 VVVCBBAGBNXYTE-UHFFFAOYSA-N 310.372 4.609 30 20 DJED C=CCCCCCN(C)C(=O)c1c(Cl)c2ccccc2n1C 606881097 FIUMLZCNMLJYKS-UHFFFAOYSA-N 318.848 4.650 30 20 DJED C=C(C)CN(CC)C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 607779808 VALYQBBMTXAIEW-OAQYLSRUSA-N 321.464 4.828 30 20 DJED C[C@H](N[C@H]1CCCc2c(Cl)cccc21)c1cccc(C#N)c1 612572479 LZKAWQFRBWWLDJ-DJJJIMSYSA-N 310.828 4.940 30 20 DJED C=CCN(Cc1cccc(OC(C)C)c1)Cc1cccs1 613341057 SGLWHMCRDTVAAR-UHFFFAOYSA-N 301.455 4.724 30 20 DJED Cc1c(N[C@H]2CCCc3cc(C#N)ccc32)cnn1C1CCCC1 618579279 HNHXPAPPIGTSQY-IBGZPJMESA-N 320.440 4.668 30 20 DJED C=CCC[C@H](NCc1cccnc1C(F)(F)F)c1ccccc1 625301437 VZQFCKJHOMKGTR-INIZCTEOSA-N 320.358 4.898 30 20 DJED C=C(CNc1nc(C(F)F)nc2ccccc12)c1ccccc1 673461780 VMXJBZJDIHBNKQ-UHFFFAOYSA-N 311.335 4.693 30 20 DJED O=C1/C(=C/c2cccc(C(F)(F)F)c2)CCOc2ccccc21 728442128 WYENFGLGCMIWIQ-JLHYYAGUSA-N 318.294 4.754 30 20 DJED C=CCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(C)C 730474233 RGRCTYBNNMAAKF-UONOGXRCSA-N 312.240 4.520 30 20 DJED CC(=NNc1cccc(C(F)(F)F)n1)c1ccc(Cl)s1 739421021 BSYBPIUQRQTZAR-UHFFFAOYSA-N 319.739 4.651 30 20 DJED Cc1cc(C(=O)/C=C\c2ccc(O[C@@H](C)C#N)cc2)cc(C)c1F 741468758 XWEBSKCSANEVNS-AJHXJQRKSA-N 323.367 4.630 30 20 DJED C(=NN(c1ccccc1)c1ccccc1)c1c[nH]c2ncccc12 741758750 BDOSVMGPEDVZDS-UHFFFAOYSA-N 312.376 4.735 30 20 DJED N#C[C@@H](C(=O)[C@H]1CC12CCCC2)c1nc(-c2ccccc2)cs1 747480774 VNPNZZKPVSWQIJ-LSDHHAIUSA-N 322.433 4.567 30 20 DJED COc1ccc2c(N[C@@H](CCC#N)c3ccccc3)ccnc2c1 747843728 PZBOZIPEKPEMSZ-SFHVURJKSA-N 317.392 4.700 30 20 DJED C=C(Cl)CSc1nnc(-c2ccccc2)n1[C@H](C)CC 749750851 GVTOEXJEHFPHAH-GFCCVEGCSA-N 307.850 4.761 30 20 DJED Cc1ccc2c(c1)C/C(=C/c1ccc(Cl)nc1Cl)C2=O 761477372 NHIWABADVRTWET-GHXNOFRVSA-N 304.176 4.519 30 20 DJED CCc1cnccc1C(C)=NNc1ccnc2cc(Cl)ccc12 765547438 AHQILONMAHWDSV-UHFFFAOYSA-N 324.815 4.682 30 20 DJED CCOc1ccc(/C=C2\CSc3c(F)cccc3C2=O)cc1 767905848 PVSCQCSNDMZYGH-JLHYYAGUSA-N 314.381 4.596 30 20 DJED CC[C@H](C#N)Oc1cccc(CN[C@@H](C)[C@H](C)c2ccccc2)c1 772984788 QEMZRSJJBMTQTB-ABSDTBQOSA-N 322.452 4.649 30 20 DJED C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccnc(Cl)c1 776841357 JGWSWBPJWCBXSY-CYBMUJFWSA-N 315.804 4.591 30 20 DJED CC(=NNc1ccnc2cc(Cl)ccc12)C1CCSCC1 777421988 SPUSCKGACYZVCA-UHFFFAOYSA-N 319.861 4.819 30 20 DJED CC[C@H](NCc1ccc(C#N)cn1)c1ccc(Cl)cc1Cl 783294397 PQSSGQRDALGPKE-INIZCTEOSA-N 320.223 4.501 30 20 DJED Cc1nnc(SCC2(C#N)CCCC2)n1[C@@H]1CCC[C@H](C)C1 806592101 NEVAWGMNGWPUPQ-DZGCQCFKSA-N 318.490 4.514 30 20 DJED Cc1cc(C)c([C@H](C)Nc2cccc(OCCCC#N)c2)c(O)c1 815602808 KZHWIPPSEYKSLW-INIZCTEOSA-N 324.424 4.865 30 20 DJED C=CCCCCC[C@@H](C)Nc1cccc([C@H]2CCC(=O)N2)c1 840883753 HVIWEOPICCIYKK-CRAIPNDOSA-N 300.446 4.575 30 20 DJED CCCCCCCCCC(=O)N1CCC[C@@H]1[C@@H]1CCCOC1 843922205 AWLLMLBJKAWQKT-QZTJIDSGSA-N 309.494 4.545 30 20 DJED C=CCN(Cc1cccs1)C(=O)N[C@H](C)CCCCCC 915887103 PCDKEBWGPMVVFA-OAHLLOKOSA-N 308.491 4.805 30 20 DJED Fc1cccc(Cl)c1C=NNc1cccc(C(F)(F)F)c1 916259698 FJZPLDMLJSUMIK-UHFFFAOYSA-N 316.685 4.944 30 20 DJED CCSc1cc(Cl)ccc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 1129724496 IANYSNMKCMEJMQ-WCQYABFASA-N 323.845 4.691 30 20 DJED N#Cc1cccc(Br)c1Sc1ccccc1F 1162055575 KOZFBGFQUJIUHN-UHFFFAOYSA-N 308.175 4.611 30 20 DJED N#Cc1cccc(Br)c1Nc1ccc2[nH]ccc2c1 1173940039 QZTFRVJRGKWQPY-UHFFFAOYSA-N 312.170 4.546 30 20 DJED Cc1cc(C#N)cc(NC(=O)N(C)C[C@@H](C)C2CCCCC2)c1 1219115234 GETACGVMFPWLOL-OAHLLOKOSA-N 313.445 4.547 30 20 DJED Cc1nc(N2CCC[C@@H]2c2ccc(C(C)C)cc2)ccc1C#N 1307087903 XGFGJUBDGBBJSI-LJQANCHMSA-N 305.425 4.727 30 20 DJED CC[C@@](C)(C#N)c1nnc(-c2sc3ccccc3c2Cl)o1 1333095197 MEUHBRLDVSQSAA-HNNXBMFYSA-N 317.801 4.796 30 20 DJED C[C@@H](Nc1ccc(Cl)c(C#N)n1)c1ccc(Cl)c(F)c1 1341438669 VOQQYFZPEGFKCU-MRVPVSSYSA-N 310.159 4.572 30 20 DJED CC[C@@H](C)c1nnc(-c2ccccc2Oc2ccccc2C#N)o1 1341536627 HNHYNJFRMPEMMV-CYBMUJFWSA-N 319.364 4.914 30 20 DJED Cc1ccc(C#N)cc1NC(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1 1361270082 PUGTUSYPIZQLAO-OCCSQVGLSA-N 324.346 4.564 30 20 DJED Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@]1(C#N)CC12CCCC2 1435140279 YARRWOOAFNWBOK-NQIIRXRSSA-N 324.468 4.673 30 20 DJED CC(C)(CC#N)CNc1nc(-c2ccccc2)nc2ccccc12 1458430117 WUQFOTKJIXVURC-UHFFFAOYSA-N 316.408 4.649 30 20 DJED N#Cc1cccnc1N[C@H](c1ccc(F)cc1)C1CCCCC1 1472854933 LPFXUYWPUOKYBQ-SFHVURJKSA-N 309.388 4.826 30 20 DJED CC(C)(CCCc1ccccc1)C(=O)O[C@@H]1CCC[C@H](C#N)C1 1525048128 AATSTVCQXHDSTN-ZWKOTPCHSA-N 313.441 4.661 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1Nc1ccc2c(c1)COC2 1559140828 YJGPLPJHXLTNHU-UHFFFAOYSA-N 321.767 4.534 30 20 DJED N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cccc2ccoc12 1651788562 LMIGBTKCUNVVTJ-VQTJNVASSA-N 316.404 4.705 30 20 DJED CCN(CCc1ccc(Cl)cc1)[C@H](C)c1ccc(C#N)cc1 1652328658 DQDLILLNBDBDMR-OAHLLOKOSA-N 312.844 4.837 30 20 DJED Cc1cc(CNc2cccc(Cl)c2OC(C)C)ccc1C#N 1655603576 MYMXWWHGRDMZMH-UHFFFAOYSA-N 314.816 4.919 30 20 DJED Cc1cc(CN2CCC[C@H](c3ccccc3)CC2)ccc1C#N 1663739277 QOZGTLXTMGBEGR-FQEVSTJZSA-N 304.437 4.636 30 20 DJED Cc1ccc(C[C@@H](C#N)Sc2nc3ccccc3s2)cc1 7338896 OLNIWPTVYLUJIP-AWEZNQCLSA-N 310.447 4.832 30 20 DJED N#Cc1ccc(CN2CCC[C@H]2c2nc3ccccc3s2)cc1 15452129 ZMBBRUZBCZAXRZ-KRWDZBQOSA-N 319.433 4.505 30 20 DJED O=C(/C=C/c1ccc(Cl)nc1)c1ccc(C(F)(F)F)cc1 140328423 RVMLVWIVWGWMLC-LREOWRDNSA-N 311.690 4.650 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccsc1 162307199 IVKJETNGZMXYOA-UHFFFAOYSA-N 312.847 4.683 30 20 DJED C=CCCCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 175217971 RNDHHUSCASDAJK-HXUWFJFHSA-N 305.421 4.517 30 20 DJED N#Cc1csc(CN[C@H](Cc2ccccc2)c2cccs2)c1 177702939 MMLYSMNGRCCNDY-QGZVFWFLSA-N 324.474 4.755 30 20 DJED C[C@@H](C#N)Oc1ccccc1NC(=O)CCCC1CCCCC1 182150347 JMZMRNXLYCNCHE-HNNXBMFYSA-N 314.429 4.667 30 20 DJED CC#CCCCC(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 185699089 LBFUQVJYSSPCFN-NRFANRHFSA-N 317.432 4.506 30 20 DJED Cc1csc([C@@H](C#N)C(=O)/C=C\c2ccc(C(C)(C)C)cc2)n1 255107315 MZFPPLSOBGECPQ-BJIFSAINSA-N 324.449 4.639 30 20 DJED N#C[C@@H]1CC[C@@H](N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)C1 293511832 IBHIDYVDYHJYBK-UKPHBRMFSA-N 322.374 4.577 30 20 DJED Cc1cc2cc[nH]c2cc1N=C(O)c1coc(C2CCCC2)n1 328784583 VTWHEFMTWRGBEL-UHFFFAOYSA-N 309.369 4.758 30 20 DJED OC(=Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@@H]1CCCSC1 329790182 SWGQNGSNWLPTQC-GFCCVEGCSA-N 315.442 4.562 30 20 DJED Cc1ccc(C[S@@](=O)CCC2(C#N)CCCCC2)c(Cl)c1 417159428 GSHBJDDAKAPTFI-NRFANRHFSA-N 323.889 4.761 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CC[C@@H](C)c1ccccc1 425127724 JDPRJANDAALXJA-SJORKVTESA-N 320.436 4.662 30 20 DJED COc1cc(CN[C@@H](c2ccccc2C)C(C)(C)C)ccc1C#N 440615441 HRZSOJKPYCVWLH-FQEVSTJZSA-N 322.452 4.752 30 20 DJED Cc1ccccc1[C@H](CC(F)(F)F)N[C@@H]1CCC[C@@H](C#N)C1 446849717 PWTGCOZYCSZQQD-FMKPAKJESA-N 310.363 4.661 30 20 DJED N#C[C@H]1CCC[C@H](Nc2ccc(-c3cnc(C4CC4)o3)cc2)C1 447606807 NORSKNPTJYMFLT-GUYCJALGSA-N 307.397 4.713 30 20 DJED C[C@@H](CCC(C)(C)C)C(=O)Nc1ccc(CC#N)cc1Cl 452645787 PEHHSZDZXASBNA-LBPRGKRZSA-N 306.837 4.807 30 20 DJED CCCn1ncc(NCc2ccccc2C(C)(C)C#N)c1C1CC1 453144568 GPIDXTHEUNHLMA-UHFFFAOYSA-N 322.456 4.584 30 20 DJED N#CCSCCCN1CC2(CCCCC2)[C@@H]1c1ccccc1 459750472 PTSBBWLWMKOPJF-SFHVURJKSA-N 314.498 4.641 30 20 DJED COC1(CSc2ccc(C#N)c(C(F)(F)F)c2)CCCC1 478730958 OSQFXJLPIXXIJJ-UHFFFAOYSA-N 315.360 4.628 30 20 DJED N#Cc1cc(Cl)ccc1CSCc1nc(C2CC2)cs1 478919199 KCITXDKYPMVTFB-UHFFFAOYSA-N 320.870 4.979 30 20 DJED C=CCC[C@@H](C(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 489758461 YXYQNMDXRBDFHN-MRXNPFEDSA-N 324.811 4.900 30 20 DJED C[C@H](C1CCCCC1)N(C)C(=O)C[C@@H](CC#N)c1ccccc1 512746758 NSABNGHXKZDEAF-VQIMIIECSA-N 312.457 4.501 30 20 DJED N#Cc1ccc(Nc2cccc(C(=O)Nc3ccccc3)c2)cc1 523123917 GSNDFCPQSYRULE-UHFFFAOYSA-N 313.360 4.554 30 20 DJED C=C1CCN(C(=O)C2(Cc3cccc(Cl)c3)CCCC2)CC1 525053761 IBLHBZWLADLNKM-UHFFFAOYSA-N 317.860 4.622 30 20 DJED C[C@H](N[C@@H]1CCCc2ccc(Cl)cc21)c1ccc(C#N)cc1 534235600 OFAWVNKDLPQINX-ORAYPTAESA-N 310.828 4.940 30 20 DJED C=CCCCC(=O)Nc1ccc(Oc2nc(C)cs2)c(F)c1 567914278 PORIXCQFJAXZJG-UHFFFAOYSA-N 320.389 4.678 30 20 DJED N#CC[C@H](CC(=O)Nc1cc(F)ccc1Cl)c1ccccc1 577001975 BUOUMZGSPRFHKR-CYBMUJFWSA-N 316.763 4.505 30 20 DJED C=CCCCCCN(Cc1ccc(F)cc1)C1CCOCC1 577502235 YDOZUQUGARFIAT-UHFFFAOYSA-N 305.437 4.553 30 20 DJED CC[C@@H](CSCCCC1(C#N)CCOCC1)CC(F)F 596389973 BZODXQWEVWIOHC-CYBMUJFWSA-N 305.434 4.502 30 20 DJED C[C@H](NCc1ccc(-c2ccc(F)cc2)o1)c1cccc(C#N)c1 610344639 BUQCHYLQBNQSQJ-AWEZNQCLSA-N 320.367 4.808 30 20 DJED COc1ccccc1[C@@H]1CCCCN1CCCC(C)(C)C#N 610447815 FGBCGLYPYYPRTE-KRWDZBQOSA-N 300.446 4.552 30 20 DJED Cc1cc(N[C@H](C)CC(C)(C)C#N)cc(C)c1Br 695810088 CMGFFEVILRPTHR-GFCCVEGCSA-N 309.251 4.806 30 20 DJED CCOc1ccc(C=Nc2cccc(SC(F)F)c2)c(O)c1 727263519 BZNXGGZXTPVLIS-UHFFFAOYSA-N 323.364 4.856 30 20 DJED CC[C@H](/N=C/c1c(O)ccc2ccccc12)c1nc(C)cs1 729641399 HCEGXTUMRSZCTJ-JJLFXSABSA-N 310.422 4.881 30 20 DJED CC(=NNc1cccc(Cl)c1F)c1cc(F)c(F)c(F)c1 730433973 XDDAWDFMSHWAOT-UHFFFAOYSA-N 316.685 4.733 30 20 DJED CC[C@H](OC(=O)c1ccc(C#N)cn1)c1ccc(C(C)(C)C)cc1 731778490 OHLKEVSDIASMJS-SFHVURJKSA-N 322.408 4.559 30 20 DJED N#Cc1ccc(NCc2cccc(-c3ccc(C#N)s3)c2)cc1 739890707 SCAIETWJWKATEQ-UHFFFAOYSA-N 315.401 4.771 30 20 DJED Cc1nc(C)c(C=NNc2c(Cl)cccc2Cl)s1 763180723 TVCFSMOHXXLOLU-UHFFFAOYSA-N 300.214 4.513 30 20 DJED N#Cc1ccc(CN[C@H]2CCCCc3ccc(Cl)cc32)cc1 765015050 NGFNPIPQZSIDSR-IBGZPJMESA-N 310.828 4.769 30 20 DJED C[C@@H](CC1CCCCC1)N[C@@H](C)c1ccc(OCC#N)cc1 774509875 BDTAUZREHKQZFL-HOTGVXAUSA-N 300.446 4.598 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N[C@H]1CCN2CCC[C@H]2C1 775143517 RLKQMWYCNPRSFC-FHWLQOOXSA-N 322.537 4.506 30 20 DJED C#CC[C@H](N[C@@H](CC)c1cc(Cl)ccc1O)c1ccccc1 775524188 QTFHWMHSHNWMJH-ROUUACIJSA-N 313.828 4.851 30 20 DJED CC(C)(CC(=O)OCCCCC#N)Cc1ccc(Cl)cc1 782394190 WVKOVEYJHCXSTM-UHFFFAOYSA-N 307.821 4.536 30 20 DJED CC[C@@H](NCc1ccc(C#N)cn1)c1ccc(Cl)cc1Cl 783294398 PQSSGQRDALGPKE-MRXNPFEDSA-N 320.223 4.501 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)[C@H](F)CC2CCCCC2)n1 796741979 AZNDUPMXNHJSHA-UONOGXRCSA-N 322.449 4.751 30 20 DJED Cc1ccoc1C(=O)/C=C\c1ccc(N(C)c2ccccc2)nc1 797789769 YUISZSFNGDFEMN-NTMALXAHSA-N 318.376 4.647 30 20 DJED COc1ccc(C(=O)/C=C/c2ccc(SC)s2)cc1F 798230684 ALDVOIGQZCPMQV-GQCTYLIASA-N 308.399 4.514 30 20 DJED CC(=NNc1cc(Cl)ccc1Cl)c1cc(N)ccc1F 814861627 XYXNAKZFKPVGLY-UHFFFAOYSA-N 312.175 4.551 30 20 DJED C[C@@H](CCC#N)CNc1ccc(CC[C@@H](O)c2ccccc2)cc1 876859090 BLKWDKMTQCRHMO-LAUBAEHRSA-N 322.452 4.705 30 20 DJED CCCCCCCC(=O)Nc1ccc(NC(=O)NC(C)C)cc1 889880711 MQRYBIOKFPBPQF-UHFFFAOYSA-N 319.449 4.516 30 20 DJED C#Cc1cccc(NC(=O)N[C@H](CC)c2cccc(Cl)c2)c1 915339800 IZTDNCQRXQDCHN-QGZVFWFLSA-N 312.800 4.594 30 20 DJED CC(=NNc1nc2ccccc2n1C)c1ccc2ccccc2c1 915968023 QNHJEWUMONSXQL-UHFFFAOYSA-N 314.392 4.563 30 20 DJED O=C1/C(=C\c2ccc(OC(F)F)cc2)CSc2ccccc21 916154916 XTUKCRUBFYAJMY-XFXZXTDPSA-N 318.344 4.660 30 20 DJED CCC(=NNc1ccccc1Cl)c1ccc(OC)c(OC)c1 916581716 NJXBUVPVLNVSON-UHFFFAOYSA-N 318.804 4.583 30 20 DJED CC[C@H](Nc1snc(Cl)c1C#N)c1cc(C)ccc1C 1163920645 KDGZMWZYJOHRPG-ZDUSSCGKSA-N 305.834 4.848 30 20 DJED CCC(CC)N(CC(C)C)C(=O)Nc1cc(C)cc(C#N)c1 1219113435 RNBXMEPTUOWRCV-UHFFFAOYSA-N 301.434 4.545 30 20 DJED N#CCc1ccc(-c2nnc(-c3ccc4ccccc4c3)o2)cc1 1256053225 ZLSNFLIEDIZTQC-UHFFFAOYSA-N 311.344 4.623 30 20 DJED C=CC(C)(C)CNC(=O)c1ccccc1SCc1ccco1 1261289282 FSGIJIIJBGVSND-UHFFFAOYSA-N 315.438 4.514 30 20 DJED C[C@H](CCC1CCCCC1)NC(=O)c1ccc(C#N)c(Cl)c1 1265150481 NSUCCISNMRERBP-CYBMUJFWSA-N 318.848 4.690 30 20 DJED CCC(C#N)(CC)C(=O)Nc1ccc(SC(C)(C)C)c(F)c1 1273994300 JWTGDBMUEZGYIU-UHFFFAOYSA-N 322.449 4.985 30 20 DJED CC(C)(C)c1ccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1Cl 1275463310 ITUXAYBSZOMZTH-TZMCWYRMSA-N 319.832 4.877 30 20 DJED CCc1ccc([C@H](C)C(=O)O[C@H](C)c2ccc(C#N)cc2)cc1 1457191709 MNFPATNTVPWPRY-LSDHHAIUSA-N 307.393 4.529 30 20 DJED CCN(Cc1ccc2ccccc2c1)c1cccc(F)c1C#N 1458240541 BAYRDLXZYKIOFS-UHFFFAOYSA-N 304.368 4.877 30 20 DJED C[C@H](NCCc1cccc(Cl)c1Cl)c1ccc(C#N)cc1 1473469435 ZDLGIPDJEHLJHB-LBPRGKRZSA-N 319.235 4.758 30 20 DJED CC[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccc(F)cc1 1519781062 PUTMTBUYCFDJEF-GOSISDBHSA-N 324.399 4.508 30 20 DJED Cc1cccc(C)c1CN(Cc1ccc(F)cc1C#N)CC(C)C 1559935819 UUXXINQSQHCMDT-UHFFFAOYSA-N 324.443 4.972 30 20 DJED CCC(CC)[C@@H](C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1587913908 IMJVLFADKQCIBA-CYBMUJFWSA-N 316.445 4.746 30 20 DJED N#Cc1cccc(CN(CCc2ccccc2)c2ccccc2)c1 1615958269 VOKXNWZYTKLEHM-UHFFFAOYSA-N 312.416 4.808 30 20 DJED CCc1ccc([C@H]2C[C@H](C)CCN2CCc2ccc(C#N)cc2)o1 1644708291 WRWRGSLYQBOZED-OXQOHEQNSA-N 322.452 4.729 30 20 DJED Cc1cc(N[C@H](C)c2sc3ccccc3c2C)ncc1C#N 1651723650 XEWCHOAARNYQDX-CYBMUJFWSA-N 307.422 4.958 30 20 DJED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cccc2ccoc12 1651788560 LMIGBTKCUNVVTJ-PMACEKPBSA-N 316.404 4.705 30 20 DJED CC(C)[C@@H](Nc1cccc(C#N)n1)c1cccc(C(F)(F)F)c1 1655078011 VCSHCQDVBJPPNJ-MRXNPFEDSA-N 319.330 4.781 30 20 DJED CCCCN(CCOc1cccc(C#N)c1)[C@@H](C)c1ccccc1 1657390741 XPPIWWLHUNAMCI-SFHVURJKSA-N 322.452 4.800 30 20 DJED CCc1ccc(CN(Cc2ccc(C#N)cc2F)CC(C)C)cc1 1658410621 KNKSQONJOCPQHK-UHFFFAOYSA-N 324.443 4.918 30 20 DJED CCCC(CCc1ccccc1)=NNc1ccccc1C(=O)O 1776030199 PWJDEPFDXIFAGV-UHFFFAOYSA-N 310.397 4.586 30 20 DJED C[C@H](Sc1ccccc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 25437873 XSHOVMADDUEZTN-AWEZNQCLSA-N 324.449 4.607 30 20 DJED C[C@H](NCc1c(Cl)cccc1Cl)c1ccc(C#N)cc1 35256347 KMDHCAWCBFSQRG-NSHDSACASA-N 305.208 4.716 30 20 DJED CC[C@H](CC#N)NC(=O)Nc1ccc(SC2CCCC2)cc1 157103705 DIDIRWHEDZYKOO-CYBMUJFWSA-N 317.458 4.535 30 20 DJED CC(C)c1ccc(-c2ncc(CN(C)[C@@H](C)CC#N)s2)cc1 161848742 WXIVJPBJHRGSNZ-AWEZNQCLSA-N 313.470 4.667 30 20 DJED CC(C)n1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cn1 171981056 JIAJPWUHSSQTSA-ZZXKWVIFSA-N 309.196 4.667 30 20 DJED CCCCOc1ccccc1N[C@H](C)c1ccc(OCC#N)cc1 182753475 IKDWVMOGKQIYBL-MRXNPFEDSA-N 324.424 4.941 30 20 DJED COc1ccsc1C(=O)/C=C/c1cccc(-c2cccnc2)c1 184767838 MWKYUTAORCTWDD-BQYQJAHWSA-N 321.401 4.715 30 20 DJED CC#CCCCC(=O)Nc1cccc(CSC(C)C)c1C 185674015 TZSQLDHQMLZMKX-UHFFFAOYSA-N 303.471 4.769 30 20 DJED CCSc1ccc([C@@H](C)NCc2ccc(C#N)cc2C)cc1 186321865 KUBCYAABBZZMMV-OAHLLOKOSA-N 310.466 4.830 30 20 DJED Cc1ccccc1C(=O)/C=C\c1cccc(Br)c1 222412431 HVCGDAZSJAVALI-KTKRTIGZSA-N 301.183 4.654 30 20 DJED Cc1nc(N[C@@H](C)c2ccc(Cl)cc2)c(Cl)cc1C#N 312584423 QAMROLMYJNWBBY-VIFPVBQESA-N 306.196 4.742 30 20 DJED CC(O)=Nc1ncccc1N=C(O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 329104332 NYULVMJKOJUUQC-SOUVJXGZSA-N 315.417 4.884 30 20 DJED CC(=O)c1c(C)[nH]c(/C(O)=N/CC2CCCCC2)c1C(C)C 330391275 HJMTVUJDHCZCKX-UHFFFAOYSA-N 304.434 4.534 30 20 DJED C[C@H](N[C@H]1C[C@@H](C)Sc2sccc21)c1ccc(C#N)cc1 336839313 JPJGHXMOXGAION-WQGACYEGSA-N 314.479 4.896 30 20 DJED CC[C@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(C#N)cc1Cl 426153841 PICSUVOCQSFNMX-XJKSGUPXSA-N 319.836 4.644 30 20 DJED CC(C)[C@@H](C(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 430372022 DWHVMENKMQOKIH-QGZVFWFLSA-N 312.800 4.590 30 20 DJED CC(C)[C@@H](Cc1ccc(F)cc1)NCCCCC(C)(C)C#N 444680517 PNAMIEGICWDDNE-GOSISDBHSA-N 304.453 4.702 30 20 DJED CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1S[C@H](C)CC#N 448942829 KXVPLGBUFBXZCX-KFWWJZLASA-N 316.470 4.846 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc(CC#N)cc1Cl 455703035 LYONBCWYZNXEJC-UHFFFAOYSA-N 319.836 4.616 30 20 DJED CCCCc1ccc([C@H](NC(=O)CCCC#N)C(C)C)cc1 462153196 DVPGUUGPYQNRBX-LJQANCHMSA-N 300.446 4.536 30 20 DJED C=CCC(CC=C)C(=O)N(C)Cc1c(Cl)cccc1Cl 467338331 ZHNGXBJEWHPBRR-UHFFFAOYSA-N 312.240 4.720 30 20 DJED C=CCCC1(C(=O)N2CCC(CCc3ccccc3)CC2)CC1 474407033 DDAOFLHTMOIHSX-UHFFFAOYSA-N 311.469 4.604 30 20 DJED CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 474416642 SSEBWEWBSXFDDX-LJQANCHMSA-N 320.436 4.615 30 20 DJED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(OCCCC#N)c1 474962345 CBMAWGQGGOMDRR-QAPCUYQASA-N 314.429 4.524 30 20 DJED C=C(C)[C@H](NCc1cc(C)ccc1OC)c1ccc(F)c(F)c1 479393594 MTTHMYNLJPNIHS-IBGZPJMESA-N 317.379 4.689 30 20 DJED C=CC[C@@H](C(=O)Nc1cccc2ncccc12)c1ccccc1 487638147 QMMJULIPFXAODO-MRXNPFEDSA-N 302.377 4.533 30 20 DJED C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 488878365 MACYXBKLVYGBJB-BZUAXINKSA-N 324.251 4.664 30 20 DJED C=CCn1c(S[C@H](C)c2ccc(Cl)cc2)nnc1C1CC1 497671437 NOISJCIMFXAFRG-LLVKDONJSA-N 319.861 4.848 30 20 DJED N#CCCN(Cc1ccco1)Cc1ccc(-c2ccc(F)cc2)o1 505745431 LGPVJYFOIZDLMF-UHFFFAOYSA-N 324.355 4.595 30 20 DJED N#Cc1cccc(NC(=O)Nc2cccc(-c3cccs3)c2)c1 510042401 GSKSWUITNXRTTB-UHFFFAOYSA-N 319.389 4.931 30 20 DJED N#Cc1cnc(NCCCCCOC2CCCCC2)c(Cl)c1 520335432 WKDHQYXMMIQNRK-UHFFFAOYSA-N 321.852 4.538 30 20 DJED Cc1cccc(Oc2ccc(NC[C@@H](C#N)CCC#N)cc2)c1 554538183 RKZWBWLNRXXMGO-MRXNPFEDSA-N 305.381 4.643 30 20 DJED N#Cc1ccc(SCc2cc(-c3ccco3)on2)c(Cl)c1 555415248 LDWPGSWCAUHQOP-UHFFFAOYSA-N 316.769 4.752 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Cc1coc2ccccc12 557042969 YTTUBTRQPNKVQT-UHFFFAOYSA-N 319.404 4.580 30 20 DJED Cc1csc(NC(=O)N(CC2CC2)C2CCCCC2)c1C#N 559638727 VNBYOFGLNUUDCO-UHFFFAOYSA-N 317.458 4.505 30 20 DJED C[C@H](Oc1ccccc1N[C@@H]1CCC[C@H](C#N)C1)C(F)(F)F 589209731 RIHYTECUQSMRNE-RWMBFGLXSA-N 312.335 4.510 30 20 DJED Cc1cccc([C@H]2CCCN2C(=O)CC2(C#N)CCCCC2)c1 596879604 CHYJFPCMFGQYPT-GOSISDBHSA-N 310.441 4.523 30 20 DJED CC1(NCc2cccc(OCc3ccccc3C#N)c2)CCCC1 609433158 AAMCALOWDLHGEI-UHFFFAOYSA-N 320.436 4.560 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(C2CC2)cc1 678560187 GPOYVWWAUXWYEC-UHFFFAOYSA-N 306.409 4.784 30 20 DJED C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@H]1c1ccc(C)cc1 685552025 GHSZYENYXWSWKU-WMZOPIPTSA-N 324.472 4.628 30 20 DJED Cn1cc(C(=O)/C=C\c2ccc(Cl)s2)c2ccccc21 726740636 MPQTYTIATLGYAD-VURMDHGXSA-N 301.798 4.789 30 20 DJED CC(CSC(C)(C)C)=NNc1ccc(Br)cc1 729635392 RDVQGBMXAPKBHG-UHFFFAOYSA-N 315.280 4.769 30 20 DJED CCC(CC)CN(CCC#N)C(=S)Nc1cccc(C)c1C 729642739 SGLXUBAWEUEIRX-UHFFFAOYSA-N 317.502 4.652 30 20 DJED O=C1/C(=C/c2ccnc3ccccc23)CSc2c(F)cccc21 731835501 GKLPGGKVYNWKHD-JLHYYAGUSA-N 321.376 4.746 30 20 DJED CCCCCC[C@@H](C)C(=O)Nc1cc(C#N)ccc1OCC 741915181 YTDDFPZRTHNGJZ-CQSZACIVSA-N 302.418 4.502 30 20 DJED C[C@H](OC(=O)c1cc2c(Cl)cccc2s1)C(C)(C)C#N 753620414 HDFGQZYWEDLOGU-VIFPVBQESA-N 307.802 4.650 30 20 DJED COc1cccc(C(=O)/C=C\c2cccc(-c3cccnc3)c2)c1 768485333 UQDAPWDZWKVIRA-KHPPLWFESA-N 315.372 4.653 30 20 DJED Fc1cc(F)cc(NN=Cc2ccc(F)cc2C(F)(F)F)c1 771877703 WVMHDZJZOZOKRG-UHFFFAOYSA-N 318.220 4.569 30 20 DJED C#CCCCCC(=O)Nc1nc(-c2ccc(C)cc2C)cs1 773349745 MBXXYPBMGBOWDD-UHFFFAOYSA-N 312.438 4.559 30 20 DJED C[C@@H](CC1CCCCC1)N[C@H](C)c1ccc(OCC#N)cc1 774509877 BDTAUZREHKQZFL-JKSUJKDBSA-N 300.446 4.598 30 20 DJED C#CC[C@H](NCc1ccc(SC(F)F)cc1)c1ccccc1 775399150 PQANDFFDGYRVSS-KRWDZBQOSA-N 317.404 4.856 30 20 DJED CCC(CC)[C@@H]1C[C@@H](Nc2nc3ccccc3cc2C#N)CCO1 778008602 BOXCSABUGNKQCD-HKUYNNGSSA-N 323.440 4.502 30 20 DJED O=C1/C(=C\c2sccc2Cl)CCc2ccc([N+](=O)[O-])cc21 782356506 YGEQCEOHVMXZAU-YFHOEESVSA-N 319.769 4.522 30 20 DJED C#CCC1(c2nc(-c3nccc4ccccc34)no2)CCCCC1 788102828 LRARASSIADMCKW-UHFFFAOYSA-N 317.392 4.510 30 20 DJED FC(F)(F)c1ccc(NN=C2CCC[C@@H]2c2ccccn2)cc1 794923326 NQXCTIYRLOYRAZ-CQSZACIVSA-N 319.330 4.836 30 20 DJED CC(/C=C\C(=O)c1cc2c(C)nn(C)c2s1)=C\c1ccccc1 806579010 RPOJWAQULXWFHY-AZQRDTPRSA-N 322.433 4.786 30 20 DJED CC(C)c1ncc(/C=C2\Cc3cc(F)c(F)c(F)c3C2=O)s1 834455736 OUEAXHFLBLAHBM-RUDMXATFSA-N 323.339 4.506 30 20 DJED CCC(C#N)(CC)C(=O)Nc1ccc(Nc2ccccc2)cc1 858280661 ZSHPKMZHRJLRBY-UHFFFAOYSA-N 307.397 4.699 30 20 DJED O=C(/C=C\c1ccc(-c2ccc(F)cc2)o1)c1cccc(O)c1 916155562 KCBNBJVECXOEHP-NTMALXAHSA-N 308.308 4.687 30 20 DJED C(=NNc1ccccc1)c1ccccc1OCc1ccccc1 916245792 AFIVRHITBUOOGO-UHFFFAOYSA-N 302.377 4.712 30 20 DJED CC(C)OCc1cccc(N=Cc2cc(Cl)ccc2O)c1 920479134 LASPUKJXALYTAF-UHFFFAOYSA-N 303.789 4.721 30 20 DJED CSc1ccc(CNc2cc(C#N)ccc2OC(C)C)cc1 1178901342 QDQRZURZYSYVBY-UHFFFAOYSA-N 312.438 4.679 30 20 DJED C[C@@]1(c2ccccc2)CCCN(Cc2cccc(F)c2C#N)CC1 1181698594 SXLZPAPZIFJMFG-OAQYLSRUSA-N 322.427 4.641 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CC[C@@H](c2ccccc2)C1 1182436243 ZYYGIVCGBPPZTJ-CBQOVEMMSA-N 316.448 4.862 30 20 DJED CC(C)Oc1cccc(CN(Cc2ccc(C#N)cc2)C2CC2)c1 1307606822 RFVAYPUTHAQFGK-UHFFFAOYSA-N 320.436 4.510 30 20 DJED CCCC[C@@H](CC)CNCc1cc(C#N)ccc1Br 1308179995 VXBQZRRUAPZCCN-CYBMUJFWSA-N 323.278 4.627 30 20 DJED CSc1ccc2c(c1)[C@@H](Nc1ccc(OCC#N)cc1)CCC2 1326189960 RCLVKADGMOATBM-IBGZPJMESA-N 324.449 4.800 30 20 DJED CCCC(CCC)C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 1354502918 PUNPAHOIUSJZCF-HNNXBMFYSA-N 300.446 4.684 30 20 DJED CCC[C@@H](CC)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1357964301 AATGCKUHBGFVLU-OAHLLOKOSA-N 323.396 4.510 30 20 DJED N#Cc1cnc(NCC2(c3ccccc3)CCCC2)c(Cl)c1 1472648344 HKLBJHZGKPJBRJ-UHFFFAOYSA-N 311.816 4.531 30 20 DJED C[C@@H](Nc1ccc(Cl)c(C#N)n1)c1ccc2c(c1)CCCC2 1472754156 ZVUWAVZYMBVANG-GFCCVEGCSA-N 311.816 4.659 30 20 DJED C[C@H]1C[C@H](CCNC(=O)CC2(C#N)CCCCC2)CC(C)(C)C1 1519983283 COHCGJGLKBUHHB-IRXDYDNUSA-N 318.505 4.819 30 20 DJED CC(C)(CC1CCCCCC1)NC(=O)c1ccc(CC#N)cc1 1523272510 NULNJXYZABYFSU-UHFFFAOYSA-N 312.457 4.622 30 20 DJED CC(C)(C)c1csc(NC(=O)[C@@H](F)c2ccccc2)c1C#N 1527545765 LQTRAAZVWOKTEW-AWEZNQCLSA-N 316.401 4.567 30 20 DJED CCCC[C@@H](CC)CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 1534761480 FNLPZSRLZSOLOT-MRXNPFEDSA-N 312.457 4.656 30 20 DJED CC1(c2ccc(Cl)cc2)CCN(Cc2cccc(C#N)c2)CC1 1559810668 SXFXCOJEGUYUHC-UHFFFAOYSA-N 324.855 4.765 30 20 DJED N#Cc1sc(N2CCCC3(CCCCC3)CC2)nc1Cl 1612258660 RMUSAFSQBMTQOT-UHFFFAOYSA-N 309.866 4.609 30 20 DJED C=C(Br)CN[C@@H](c1ccc(F)cc1F)C(C)(C)C 1616631090 ZEOUOEYUDQBNMC-ZDUSSCGKSA-N 318.205 4.550 30 20 DJED C[C@H](CC(C)(C)C#N)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 1621386909 QJDNHGXTOIREQU-UNEWFSDZSA-N 304.865 4.894 30 20 DJED N#Cc1ccsc1NC(=O)N1CCC[C@H]1CCC1CCCC1 1626074467 QTNNNPOQGIPDJK-HNNXBMFYSA-N 317.458 4.586 30 20 DJED C[C@H](Nc1ccc(C#N)cn1)[C@@H](C)c1ccccc1C(F)(F)F 1650880783 GBGSTOPYRWJFKJ-NEPJUHHUSA-N 319.330 4.576 30 20 DJED Cc1ccc(CCNc2nc(C(C)(C)C)ccc2C#N)cc1C 1652026767 HOMKVFQFWNHANK-UHFFFAOYSA-N 307.441 4.522 30 20 DJED N#Cc1ccc(CN2C[C@H]3CCCC[C@]32c2ccccc2)c(F)c1 1657372587 IMQAZGXTDMBZEC-CTNGQTDRSA-N 320.411 4.599 30 20 DJED C[C@H]1CCN(Cc2ccc(Cl)cc2C#N)[C@@H](c2ccco2)C1 1657407680 SZIKKIVGDDBQEE-SUMWQHHRSA-N 314.816 4.778 30 20 DJED O=C(O)c1coc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)c1 1776131576 VORMJTNNCMAFEX-KHPPLWFESA-N 318.328 4.541 30 20 DJED Cc1ccc(/C=C/C(=O)c2cnn(-c3ccc(F)cc3)c2C)cc1 65999704 RDILHAZKJNWGDD-KPKJPENVSA-N 320.367 4.524 30 20 DJED C=CCCC(=O)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C 107520851 QNZHJBRNWDAZTI-CYBMUJFWSA-N 314.454 4.570 30 20 DJED Cc1ccc(-c2nnc(S[C@@H](C#N)C3CCCCC3)o2)cc1 115185910 DUYMCJMKEPEACV-HNNXBMFYSA-N 313.426 4.610 30 20 DJED N#CCCCOc1cccc(CNc2ccc(Cl)cc2)c1 157499135 PAQPDPZDZWVXII-UHFFFAOYSA-N 300.789 4.635 30 20 DJED C[C@H](SCc1nnc(-c2ccccc2)o1)c1ccc(C#N)cc1 173829480 HAFFNQRFGCACJN-ZDUSSCGKSA-N 321.405 4.603 30 20 DJED C[C@H](C#N)Oc1ccccc1NCc1ccc(-c2ccccc2)o1 181127923 ZCBOFPONVDNWBN-OAHLLOKOSA-N 318.376 4.850 30 20 DJED Cc1cc(C#N)ccc1CNC(c1ccccc1)c1ccccc1 186081748 NGWHYUYNUGKFMJ-UHFFFAOYSA-N 312.416 4.746 30 20 DJED C[C@H](Nc1cccc(OCCCC#N)c1)c1ccc(N(C)C)cc1 193906672 CIAIFULVVZVPMH-INIZCTEOSA-N 323.440 4.608 30 20 DJED COc1cc(C(=O)/C=C\c2cc(F)ccc2F)ccc1SC 207745977 IWOIKWZRLSBWQH-CLTKARDFSA-N 320.360 4.591 30 20 DJED CC(C)(CCC#N)CNc1ccc(OC2CCCC2)c(F)c1 236819135 QHRNHELPXRJDPF-UHFFFAOYSA-N 304.409 4.889 30 20 DJED Cc1ncsc1/C=C\C(=O)c1cc2cc(Cl)ccc2o1 255774151 RUAJIIFCIFUPIP-HYXAFXHYSA-N 303.770 4.747 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 281338084 KNVGMEJQVCDNTM-UONOGXRCSA-N 317.458 4.557 30 20 DJED N#CC1(CCCOc2ccccc2-c2ccccc2)CCOCC1 281393147 PXOMJSBNULBHOI-UHFFFAOYSA-N 321.420 4.833 30 20 DJED CCCC[C@@H](C)C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 410092993 GCKVMXIYVWOMED-QMTHXVAHSA-N 313.228 4.501 30 20 DJED N#CCCSCCC(C#N)(c1ccccc1)c1ccccc1 413012501 MBOIRMIVXWNRPY-UHFFFAOYSA-N 306.434 4.533 30 20 DJED C=CCC[C@@H](NC(=O)N(CC(C)C)C1CC1)c1ccccc1 435764681 ZSIWKDDEUSZLPL-GOSISDBHSA-N 300.446 4.524 30 20 DJED CC[C@H](NC[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(C#N)cc1 447587156 PAWKNZFUXODKKX-ULQDDVLXSA-N 324.390 4.968 30 20 DJED CC[C@H](Nc1cccc2c1OCC[C@@H]2OC)c1ccc(C#N)cc1 448029107 PVONHQTZVKXBGZ-HKUYNNGSSA-N 322.408 4.591 30 20 DJED CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1cccc(CC#N)c1 455922348 QIJHQBRQIDWAMK-INIZCTEOSA-N 321.424 4.585 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(C)c1F 469928179 MODQNJGLQDQYKK-UHFFFAOYSA-N 312.388 4.744 30 20 DJED C=CC[C@@H]1N(C(=O)[C@@H]2C[C@@H]2c2sccc2C)CCCC1(C)C 470279615 LJWCVLQGPBFZPH-XHSDSOJGSA-N 317.498 4.753 30 20 DJED C[C@H](N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cccc(C#N)c1 479535712 ANPSMAJCTFSCAK-IXDGSTSKSA-N 310.828 4.808 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc2scnc2c1)c1ccccc1 488687047 JTLIZRXDIQSIOP-OAHLLOKOSA-N 308.406 4.595 30 20 DJED Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)Nc1cccc(C#N)c1 489511197 UZKUWKIMVORJMZ-LJQANCHMSA-N 321.424 4.728 30 20 DJED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc(OCc2ccccc2)c1 519189730 JVGYMRGIMAMKFJ-ILZDJORESA-N 320.436 4.608 30 20 DJED C=CCn1c(SCCCCCF)nnc1-c1ccccc1F 519826303 HYNNCWYONCXBBH-UHFFFAOYSA-N 323.412 4.502 30 20 DJED C=CC[C@@H](C)NC(=O)CCCc1ccc2c(c1)-c1ccccc1C2 523968173 BGPPIFMNDOBINS-MRXNPFEDSA-N 319.448 4.661 30 20 DJED Cc1cccc([C@@H]2CCCN2Cc2ccc(C#N)cc2F)c1C 525635388 WVLLFKBYVCIWMH-FQEVSTJZSA-N 308.400 4.651 30 20 DJED C[C@@H](CCSc1ccccc1)N[C@@H](C)c1ccc(C#N)cc1 554849389 YUZCPVFQPNXXPB-HOTGVXAUSA-N 310.466 4.780 30 20 DJED N#Cc1ccc(SCc2ccc(Br)cc2)c(F)c1 578378271 XCFBKUFAGOPTHH-UHFFFAOYSA-N 322.202 4.752 30 20 DJED CCc1ccc(-c2noc(C[C@H](CC#N)c3ccccc3)n2)cc1 584316437 OAFCIVKQVMDTQG-SFHVURJKSA-N 317.392 4.539 30 20 DJED CCc1ccc([C@H]2CCCCCN2C(=O)CCCCCC#N)o1 588755512 JVWRICKZCXDGDX-QGZVFWFLSA-N 316.445 4.760 30 20 DJED Cc1cccc([C@H](C)C(=O)N(CC(C)C)c2ccc(C#N)cc2)c1 610038814 KMMHBPHYUIEWLI-KRWDZBQOSA-N 320.436 4.659 30 20 DJED C=C(CNC(=O)Nc1c(CC)cccc1CC)c1ccccc1 672600715 ABNBYONIDUTVGK-UHFFFAOYSA-N 308.425 4.646 30 20 DJED Cc1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1C 726433840 VBQCRDVJMVBUFG-UHFFFAOYSA-N 315.829 4.637 30 20 DJED Cc1cc(/C=C\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1F 729148549 BTEVTOTVBBFSTL-CLTKARDFSA-N 319.719 4.592 30 20 DJED CCCCCOc1ccc(C(C)=NNc2ccc(F)cn2)cc1 731319596 SHTXNBDHUJBMEM-UHFFFAOYSA-N 315.392 4.626 30 20 DJED CC(C)c1ccc2c(Cl)c(C(=O)O[C@@H](C)C#N)sc2c1 732684966 RJNIKGUFMDWMJE-VIFPVBQESA-N 307.802 4.747 30 20 DJED C=CCOc1ccc(/C=C/C(=O)c2sccc2C)cc1OC 733749524 NCKVYGQNEBXHPA-FNORWQNLSA-N 314.406 4.526 30 20 DJED Cc1cc(F)ccc1-c1ccc(C=NNCc2ccccc2)o1 734295495 YIMLFGSPQJIQEF-UHFFFAOYSA-N 308.356 4.518 30 20 DJED O=C(/C=C/c1cc(-c2ccccc2)cs1)c1cncc(F)c1 737443782 KTNDJQIYDPDWEG-VOTSOKGWSA-N 309.365 4.845 30 20 DJED Cc1ccc2c(c1)S/C(=C/c1ccc(O[C@H](C)C#N)cc1)C2=O 752892582 XEEXYKAIRLXAIJ-HVOBPNNYSA-N 321.401 4.615 30 20 DJED C=C(C)CN(CC)C(=O)c1c(Cl)ccc(Cl)c1Cl 753352971 PJPGPNMBMGSJRZ-UHFFFAOYSA-N 306.620 4.685 30 20 DJED Fc1cc(C=NOc2ccccc2C(F)(F)F)cc(F)c1F 754712926 XQCIHOZSLKBZQF-UHFFFAOYSA-N 319.204 4.536 30 20 DJED CSc1ccc(C(=O)/C=C/c2cnc(C(C)C)s2)cc1 758431027 UIFXJGMSRBIYKI-CMDGGOBGSA-N 303.452 4.885 30 20 DJED CC(C)[C@H]1/C(=C\c2nc(Cl)cs2)C(=O)c2ccccc21 766506762 QXWFXNLAIFQJMU-CUXKMMBLSA-N 303.814 4.816 30 20 DJED CCCCCCC[C@H](C)CNC(=O)Nc1c(C)noc1C1CC1 767899117 GIVGZUPXIYPSOT-ZDUSSCGKSA-N 321.465 4.979 30 20 DJED CC(CCC1CC1)=NNc1ncc(C(F)(F)F)cc1Cl 768763330 DQLALAAVQFKUBA-UHFFFAOYSA-N 305.731 4.732 30 20 DJED O=C(/C=C\c1ccc(SC(F)(F)F)cc1)c1cscn1 769261715 VFCDFGMZEXJJQC-UTCJRWHESA-N 315.341 4.651 30 20 DJED CC(C)[C@@H](c1ccccc1)N(C)Cc1ccc(O[C@H](C)C#N)cc1 769402780 CZURJFMQTTUHMG-UTKZUKDTSA-N 322.452 4.807 30 20 DJED CCn1nc(/C=C\C(=O)c2cc3ccccc3o2)c2ccccc21 769744319 WURDGKDXGBHNDF-QXMHVHEDSA-N 316.360 4.699 30 20 DJED C#CCCCCC(=O)N[C@@H](CCc1ccccc1)c1ccccc1 773259866 OGBSCYJQAYVLRO-NRFANRHFSA-N 319.448 4.670 30 20 DJED CC(C)[C@@H](CN[C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 776154124 NSPLRMZTLVJSSA-DYESRHJHSA-N 322.452 4.679 30 20 DJED O=C(/C=C/c1nc2c(s1)CCCC2)c1cccc(Cl)c1 776263262 QBHUMJAAYRCHDE-CMDGGOBGSA-N 303.814 4.571 30 20 DJED COc1cc(-c2ccccc2)ccc1/C=C/C(=O)c1cncs1 787172663 NTNGXZZESVBIEH-MDZDMXLPSA-N 321.401 4.715 30 20 DJED O=C(/C=C/c1coc(-c2ccccc2)n1)c1csc(Cl)c1 787185871 JRMJBECVIUJSII-VOTSOKGWSA-N 315.781 4.953 30 20 DJED CC(C)Oc1ccccc1[C@H](C)Nc1nc(Cl)c(C#N)s1 804354511 XJJHCSKUNAQRAW-JTQLQIEISA-N 321.833 4.628 30 20 DJED N#Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(-c3ccccc3)o1)C2 811695532 ISPGFLRAINKIDY-ATVHPVEESA-N 311.340 4.641 30 20 DJED Cc1ccc(NC(=S)N(C)[C@H](C)c2cccc(C#N)c2)cc1C 819029050 VEEUGKZTIWXUSK-OAHLLOKOSA-N 323.465 4.565 30 20 DJED CC1(C)CC=C(C(=O)[C@H](C#N)c2ccc3ccccc3n2)CC1 835040684 FRCUSVSGKKTEJF-MRXNPFEDSA-N 304.393 4.548 30 20 DJED CC(=NNc1ccc(F)cc1F)c1ccccc1C(F)(F)F 864351366 RKXHTFRBRPEIAA-UHFFFAOYSA-N 314.257 4.820 30 20 DJED CCCCCCC[C@@H](C)N[C@H](C(=O)O)c1ccc(F)c(C)c1 901844035 SEGRAGGLPUZQMB-PBHICJAKSA-N 309.425 4.598 30 20 DJED O=C(/C=C\c1cccc(C(F)(F)F)c1)c1cc(F)ccc1F 916134661 MJRVMAHMAPSIFA-DAXSKMNVSA-N 312.237 4.880 30 20 DJED COc1cccc(C(=O)/C=C\c2ccc(N3CCCCC3)cc2)c1 916136914 FIMCTBFKFWALQO-RAXLEYEMSA-N 321.420 4.582 30 20 DJED O=C(/C=C\c1cccc(OC2CCCC2)c1)c1ccc(O)cc1 917517340 OJTXMFMNGUZKDC-JYRVWZFOSA-N 308.377 4.610 30 20 DJED O=C(/C=C1\COc2ccc(F)cc21)c1ccc(Cl)cc1Cl 918154232 HRIPVOBXCCEDML-WEVVVXLNSA-N 323.150 4.791 30 20 DJED CC(=NNc1cccc(C)c1)c1ccc(OCC(F)(F)F)cc1 920480089 YFDMOPZDKWKCMG-UHFFFAOYSA-N 322.330 4.772 30 20 DJED Cc1ccc(-c2ccc(C(=O)O[C@H]3CC[C@H](C#N)C3)c(F)c2)cc1 1122637826 SIOSMADCTDOHFA-YOEHRIQHSA-N 323.367 4.650 30 20 DJED Cc1cccc(C2(C(=O)O[C@@H](C)c3ccc(C#N)cc3)CCC2)c1 1126638131 SCWXZOJRZKTJLG-INIZCTEOSA-N 319.404 4.593 30 20 DJED N#Cc1ccc(OCC2CCC(C(F)(F)F)CC2)c(Cl)c1 1165353594 JTHJTNWOATWFHI-UHFFFAOYSA-N 317.738 4.959 30 20 DJED CCCN(CCc1ccc(C#N)cc1)[C@H]1CCc2ccccc21 1167206341 OQXNSZZISARIET-NRFANRHFSA-N 304.437 4.500 30 20 DJED CCC[C@H]1CCc2ccccc2N1C(=O)c1ccc(C)c(C#N)c1 1266092825 JUSJVNXPPDUMFI-IBGZPJMESA-N 318.420 4.628 30 20 DJED CC[C@H](Nc1nccc(Oc2cccc(C#N)c2)n1)C1CCCC1 1307116489 JNLBIRNPODLSRR-KRWDZBQOSA-N 322.412 4.521 30 20 DJED CC(C)C[C@@H](C(=O)O[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 1361169210 ZCFBRJKXGBRZAD-OXJNMPFZSA-N 321.420 4.992 30 20 DJED CC(C)(C)C[C@H](Nc1cncc(C#N)n1)c1ccc(Cl)cc1 1458216657 FEBFJUILSMLCQF-HNNXBMFYSA-N 314.820 4.591 30 20 DJED CC(C)[C@H]1CCC[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 1472688734 IJQGPBLVXDWAJS-WCQYABFASA-N 311.351 4.599 30 20 DJED Cc1cc(Br)cc(NC2CCC(C)(C#N)CC2)c1 1474457857 RPVVNEZRONAFKO-UHFFFAOYSA-N 307.235 4.642 30 20 DJED CC[C@H](CC(=O)OCc1ccc(CC#N)cc1)c1ccc(C)cc1 1520148301 DQMHKOBIOONWTK-LJQANCHMSA-N 321.420 4.688 30 20 DJED CCCCC1CCC(C(=O)Nc2cc(F)cc(C#N)c2)CC1 1535371906 RCHXPHIBYYBJKD-UHFFFAOYSA-N 302.393 4.632 30 20 DJED Cc1cccc(C)c1[C@@H](C)OC(=O)[C@H](C)Cc1ccc(C#N)cc1 1535740305 QDOXLUYHTJJACB-IAGOWNOFSA-N 321.420 4.658 30 20 DJED Cc1c(C(=O)O[C@H](C)c2cccc(C#N)c2)oc2c(C)cccc12 1544194267 JRIJFJOTYVOLQW-CQSZACIVSA-N 319.360 4.839 30 20 DJED CC[C@H](OC(=O)c1csc(C#N)c1)c1ccc(Cl)cc1F 1584319638 QAZATOAZJJUDSL-AWEZNQCLSA-N 323.776 4.720 30 20 DJED Cc1ccccc1[C@@H](C)C(=O)N(c1ccccc1C#N)C1CCC1 1587309635 AGQJCMJAVNXQOJ-MRXNPFEDSA-N 318.420 4.556 30 20 DJED CC(C)Cc1ccc([C@@H](Nc2cccc(C#N)n2)C(C)C)cc1 1639204086 DYQHTOAMYVEZSI-FQEVSTJZSA-N 307.441 4.961 30 20 DJED CC[C@@H](Nc1nc(C#N)c(Cl)s1)c1cc(F)ccc1F 1639497388 FGSJEKGNNVLPPZ-SNVBAGLBSA-N 313.760 4.510 30 20 DJED CO[C@H](COc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 1651933920 UAZHLMWRWOGJDQ-MRXNPFEDSA-N 322.191 4.632 30 20 DJED Cc1cc(C(C)(C)NC[C@H](C)CCC#N)ccc1Br 1652580631 PAEZLLMQKDNADD-GFCCVEGCSA-N 323.278 4.522 30 20 DJED C[C@@H](COCc1ccccc1)CSc1ccc(C#N)cc1F 1656304752 OVDXETDYWDDWHS-AWEZNQCLSA-N 315.413 4.642 30 20 DJED COc1cc(Cl)c(CNc2cccc(CC#N)c2)cc1Cl 1657977483 CIJNUQWXYKGFOP-UHFFFAOYSA-N 321.207 4.680 30 20 DJED CC(C)Cc1ccc(C(=O)/C=C\c2cc(C(=O)O)cs2)cc1 1776339816 BEMCTFRPJKLVPT-FPLPWBNLSA-N 314.406 4.541 30 20 DJED CCC[C@@H](NC(=O)c1cccc(SCC#N)c1)c1ccccc1 79387145 PJGNRKYEZWFLOE-GOSISDBHSA-N 324.449 4.573 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2cnc(-c3ccccc3)s2)s1 134501083 IEPWVQGFHKOPKW-SOFGYWHQSA-N 322.414 4.639 30 20 DJED C#CCCCCC(=O)Nc1ccccc1NCc1ccccc1C 180375536 VOMLLRATGACMCU-UHFFFAOYSA-N 320.436 4.739 30 20 DJED C=CCC[C@@H](C(=O)Nc1ccc(COC)cc1)c1ccccc1 195257520 CQPKFVDVOAUYOH-LJQANCHMSA-N 309.409 4.522 30 20 DJED Cc1cc(C)cc([C@@H](C)/N=C(/O)Nc2scnc2C2CC2)c1 328904657 AGAVQRIKDLXIBW-GFCCVEGCSA-N 315.442 4.724 30 20 DJED N#Cc1cccc(C2(/C(O)=N/C[C@@H]3C[C@H]3C3CCCCC3)CC2)c1 329335680 LHAWFLGXEVWOMK-HKUYNNGSSA-N 322.452 4.763 30 20 DJED C[C@H](N[C@H](CCC#N)c1ccccc1)C1CCC(F)(F)CC1 353311893 HRMDRBLKXLAFKQ-WMLDXEAASA-N 306.400 4.835 30 20 DJED Cc1cc(C)c(NCc2cccc(OCCCC#N)c2)c(C)c1 354645638 VMRBAWQBLXGHRX-UHFFFAOYSA-N 308.425 4.907 30 20 DJED C=CCC[C@H](NCc1ccc(O)c(OCC)c1)c1ccccc1 358110137 LSZISFWTGPXSEN-SFHVURJKSA-N 311.425 4.588 30 20 DJED Cc1cc(COc2c(C)cc(C#N)cc2C)c2ccccc2n1 390112616 URAOZPNDAYJPNU-UHFFFAOYSA-N 302.377 4.611 30 20 DJED C[C@H](NCC(C)(C)CC#N)c1csc(-c2ccccc2F)n1 414173678 XBWNBCPOOLTMGP-LBPRGKRZSA-N 317.433 4.540 30 20 DJED C=CCN(Cc1cccs1)Cc1nc2ccc(F)cc2s1 432750354 CLZJYIVSGNWZDX-UHFFFAOYSA-N 318.442 4.685 30 20 DJED N#C[C@@H]1CC[C@@H](NCc2ccccc2Sc2ccccc2)C1 442784432 PMLRIIOVKHEBFU-NVXWUHKLSA-N 308.450 4.620 30 20 DJED C=CCn1c(SCc2nc(C)sc2C)nc2ccccc21 443434147 CXVCKEKCAWFPHZ-UHFFFAOYSA-N 315.467 4.588 30 20 DJED C=CCCCCCSc1nnc(Cc2ccccc2OC)o1 447301968 CCUABAOLIFKJKF-UHFFFAOYSA-N 318.442 4.508 30 20 DJED C=C[C@@H]1CCCCN1C(=O)c1cc(C(C)C)nc2ccccc12 448388172 PCHDPFVCEPTRTP-OAHLLOKOSA-N 308.425 4.539 30 20 DJED C=CCOc1ccc(CN[C@@H](C)CCSCC)cc1Cl 464050961 TZLNZVSHCLIPHL-ZDUSSCGKSA-N 313.894 4.526 30 20 DJED C[C@H](CCC#N)Sc1nc2c(n1-c1ccccc1)CCCC2 470458593 KIZVIADOZFKVCT-CQSZACIVSA-N 311.454 4.535 30 20 DJED N#Cc1cccnc1/C=C\c1ccc(Cl)c(Br)c1 486077185 QIGNZTHNNDEBEL-XQRVVYSFSA-N 319.589 4.540 30 20 DJED C=C(C)CN(CC)C(=O)[C@@H](C)S[C@@H](CC)c1ccccc1 507750082 MJJOGJDYYBCUQY-WBVHZDCISA-N 305.487 4.684 30 20 DJED CCCC[C@@H](CC)CC(=O)N(CCC#N)c1ccc(F)cc1 516112056 QAUOKPFSYGOMJH-OAHLLOKOSA-N 304.409 4.679 30 20 DJED CCC1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c23)CC1 520332845 ZXWXUHCGULOCMW-UHFFFAOYSA-N 317.795 4.525 30 20 DJED C[C@H]1CCC[C@H](CC(=O)Nc2ccccc2SCCC#N)C1 524674511 MJBPLIXIOKJIKQ-GJZGRUSLSA-N 316.470 4.847 30 20 DJED Cc1ccc(C#N)cc1NCc1ncc(-c2ccc(Cl)cc2)o1 531340273 OFPWGUCLUIWAHA-UHFFFAOYSA-N 323.783 4.787 30 20 DJED C=C[C@@H](CC(=O)Nc1cnc2ccccc2c1)c1ccccc1 536088571 XOLBRXSRTBYZJC-HNNXBMFYSA-N 302.377 4.533 30 20 DJED C[C@H](c1ccc(Cl)cc1)N(Cc1cccc(C#N)c1)C1CC1 550351053 UXSDYSORHDMWSY-CQSZACIVSA-N 310.828 4.937 30 20 DJED C=CCC(C)(C)c1noc([C@@H](C)Cc2cncc3ccccc23)n1 560029394 VLIIXUAJWUXLNO-AWEZNQCLSA-N 321.424 4.818 30 20 DJED CCC(C)(C)OCc1cccc(NC[C@@H](C#N)CCC#N)c1C 563004185 BVACJQLXIDELTJ-MRXNPFEDSA-N 313.445 4.556 30 20 DJED CC(C)c1ccc2occ(C(=O)N(C3CC3)C3(C#N)CCC3)c2c1 577320576 LHXWCQVQKPFMKG-UHFFFAOYSA-N 322.408 4.607 30 20 DJED N#CC[C@H](CC(=O)N1CC[C@H](C2CCCCC2)C1)c1ccccc1 598154067 SRZWLCUQMCZFFS-UXHICEINSA-N 324.468 4.503 30 20 DJED N#Cc1ccc(/C=C/c2ccc(OCc3ccccc3)cc2)nc1 603893834 HVRDNFUARZTKMQ-UXBLZVDNSA-N 312.372 4.703 30 20 DJED C=C[C@@H](C)N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 610831716 OTBCYLLHDYRNSZ-NEPJUHHUSA-N 302.399 4.548 30 20 DJED C=CCOc1cccc(NC(=O)C2(c3cccc(C)c3)CCC2)c1 619218574 BTXQDUJEDIHXFZ-UHFFFAOYSA-N 321.420 4.620 30 20 DJED C=CCC(C)(C)CNC(=O)[C@H](C)c1ccccc1C(F)(F)F 644962043 VDCQCUQPHDXVDY-GFCCVEGCSA-N 313.363 4.527 30 20 DJED C=C(CN[C@H](c1ccccc1)c1ccc(F)cn1)c1ccccc1 680338638 FGCPRAUJZPAODF-OAQYLSRUSA-N 318.395 4.613 30 20 DJED Cc1cc(C(=O)OCCCCC#N)sc1-c1ccc(F)cc1 726656010 LIJQUECKSZODRR-UHFFFAOYSA-N 317.385 4.713 30 20 DJED COc1ccc2oc(C(=O)/C=C\c3ccccc3F)c(C)c2c1 729151312 QZLIBDARKAKPTF-CLFYSBASSA-N 310.324 4.785 30 20 DJED COc1cccc(/C=C2/Cc3c(ccc(Cl)c3Cl)C2=O)c1 729151463 SEPYPTGWKZBTQE-XFFZJAGNSA-N 319.187 4.824 30 20 DJED Cc1ccsc1C(=O)/C=C\c1cccc(Br)c1 733749172 GIJBYNAKUGKNCD-WAYWQWQTSA-N 307.212 4.715 30 20 DJED COc1cc(C(C)=NNc2c(F)cccc2F)ccc1SC 735615553 OMKHZLWJNAGTFI-UHFFFAOYSA-N 322.380 4.531 30 20 DJED O=C(/C=C\c1ccc(-c2ccc(Cl)cc2)o1)c1cncs1 735792964 PAWDWXYXEFQVQJ-ALCCZGGFSA-N 315.781 4.953 30 20 DJED O=C1/C(=C/c2ccccc2C(F)(F)F)CCc2c(O)cccc21 742434290 FHFNUPVVQCFFSJ-ZRDIBKRKSA-N 318.294 4.624 30 20 DJED CC(C)c1ccc(NC(=S)N[C@H](C)c2cccc(C#N)c2)cc1 743059680 NOXDMUKNGRFYRA-CQSZACIVSA-N 323.465 4.729 30 20 DJED Cc1csc([C@H](C#N)C(=O)C[C@@H]2C[C@H](C)c3c(C)cccc32)n1 753890838 BFRJPORWDMMKPE-DUVNUKRYSA-N 324.449 4.617 30 20 DJED C[C@H](C#N)Oc1ccc(CN2CCCC[C@@H]2c2ccccc2)cc1 762792869 APYBXVWGLJEOLS-DYESRHJHSA-N 320.436 4.705 30 20 DJED CC(C)c1nc(C#N)c(NN=C[C@H](C)c2cccc(Cl)c2)o1 763355309 CCXRCLOBBIODFE-NSHDSACASA-N 316.792 4.524 30 20 DJED CC(C)(C)C1CCC(=CC(=O)Nc2sccc2C#N)CC1 769616932 QFMOPDJFTHWSPK-UHFFFAOYSA-N 302.443 4.721 30 20 DJED Cc1ccccc1[C@H](CC(C)C)NCc1ccc(OCC#N)cc1 772958424 KEMDWQMNKOOIPB-NRFANRHFSA-N 322.452 4.774 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCSc2c(F)cccc21 787032400 PCMFXDGOQBESOK-ZWKOTPCHSA-N 324.424 4.511 30 20 DJED CC(=NNc1nccnc1C1CCC1)c1ccc2ccccc2c1 807991920 VUPFNKIMORDQHY-UHFFFAOYSA-N 316.408 4.733 30 20 DJED C=C(C)CCNc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 809188724 PGQIRUBIOKYIGO-CQSZACIVSA-N 304.434 4.650 30 20 DJED CCCc1ccc(/C=C\C(=O)c2ccc(C(F)F)nc2)s1 857201596 DBYCXHSYZSISOA-CLFYSBASSA-N 307.365 4.929 30 20 DJED CC(C)(C#N)CCCCSc1nc2ncc(Cl)cc2o1 901672454 MSWCGRMSLFVLCV-UHFFFAOYSA-N 309.822 4.688 30 20 DJED C=C[C@H](Cc1nc(Cc2ccc(Cl)cc2)no1)c1ccccc1 904548191 VLPVNXZYPFCERZ-OAHLLOKOSA-N 324.811 4.826 30 20 DJED CC(=NNc1ncccc1C(F)(F)F)c1ccc(Cl)cc1 915051323 PQKIXSBNSGSRRY-UHFFFAOYSA-N 313.710 4.590 30 20 DJED Cc1cc(/C=C\C(=O)c2ccccc2OC(F)F)cc(C)c1O 916140223 GQEDUOKHWQOBFY-FPLPWBNLSA-N 318.319 4.507 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc(Br)s2)s1 917043032 GDSADOOXPADXHI-HYXAFXHYSA-N 313.241 4.777 30 20 DJED C=C[C@@H](CC)CC(=O)Nc1ccccc1S[C@H](C)CC#N 932393045 UHTCOQBOUXNFAN-KGLIPLIRSA-N 302.443 4.622 30 20 DJED N#C[C@H]1CCC[C@@H](OC(=O)CCc2ccc(-c3ccccc3)o2)C1 1129607734 TWKBCWSKBSLFBG-MAUKXSAKSA-N 323.392 4.505 30 20 DJED Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2ccc(F)c(C#N)c2)o1 1167516653 HJMANEVNFVCUCO-SCLBCKFNSA-N 312.388 4.572 30 20 DJED CN(Cc1ccc(CC#N)cc1)Cc1cc(Cl)cc(Cl)c1 1190384345 WPELPMKTRWYHIG-UHFFFAOYSA-N 319.235 4.691 30 20 DJED CCC[C@@H]1CCCC[C@H]1CNC(=O)CC1(C#N)CCCCC1 1275984712 XQZAZPWNGIXNGZ-SJORKVTESA-N 304.478 4.573 30 20 DJED COc1ccc(C#N)cc1CN1C[C@H](C)CC[C@@H]1c1ccccc1 1307756780 PIZXZYXWEWAYDQ-OXQOHEQNSA-N 320.436 4.540 30 20 DJED CSC1CC(Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1308711328 NPYVIXQQZGGGBK-UHFFFAOYSA-N 310.422 4.656 30 20 DJED C=C(CNC(=O)CCCc1ccc(CCC)cc1)c1ccccc1 1436600521 VGTRVMYSZMNABH-UHFFFAOYSA-N 321.464 4.791 30 20 DJED N#Cc1ccc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)c(Cl)c1 1457794024 KFKPWFGYIVHYMN-RBSFLKMASA-N 316.832 4.757 30 20 DJED Cc1cccc(C)c1CN1CCC[C@H]1[C@H](C#N)c1ccccc1 1459534718 XTDFJROEICICMO-CTNGQTDRSA-N 304.437 4.575 30 20 DJED CC(C)(C)c1cc(NC(=O)C2C(C)(C)C2(C)C)c(C#N)s1 1520663206 GSFZVPCYPKCYJD-UHFFFAOYSA-N 304.459 4.538 30 20 DJED C[C@H](C(=O)O[C@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 1525572673 YTLLYXXNUOTLGS-QWHCGFSZSA-N 313.784 4.620 30 20 DJED CC(C)CN(C(=O)CCCC1CCCC1)c1ccc(C#N)cc1 1532929927 YXFNCNXTZMOHOY-UHFFFAOYSA-N 312.457 4.908 30 20 DJED CC(C)(CNC(=O)c1ccc(Cl)c(C#N)c1)C1CCCCC1 1544866067 ICBUBGCKUQXRGQ-UHFFFAOYSA-N 318.848 4.548 30 20 DJED Cc1cc(N[C@H](C)C2(c3ccccc3)CCCC2)ncc1C#N 1559168427 VCUQQJYZCYYRNI-MRXNPFEDSA-N 305.425 4.574 30 20 DJED C[C@H]1CSc2ccccc2N1Cc1ccc(Cl)cc1C#N 1559617786 OOJSITFLBVPABQ-LBPRGKRZSA-N 314.841 4.712 30 20 DJED N#Cc1csc(CNC[C@H]2CCCC[C@@H]2c2ccccc2)c1 1560473716 QVVXJIORALBCIY-IEBWSBKVSA-N 310.466 4.683 30 20 DJED Cc1c(Cl)cnc(N[C@@H]2CCCc3ccc(F)cc32)c1C#N 1612345109 HLKFTKLTMSVVHD-MRXNPFEDSA-N 315.779 4.544 30 20 DJED Cc1cc(OCc2c(Cl)ccc3cccnc23)ccc1C#N 1613750205 VPMPDJWUNBPRBR-UHFFFAOYSA-N 308.768 4.647 30 20 DJED CC(C)(C#N)CCN(Cc1cccs1)c1ccc(F)cc1 1616287552 PLOVEOLHUKQOLJ-UHFFFAOYSA-N 302.418 4.834 30 20 DJED CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H](C#N)CC 1635873021 UZFFOICXGWXDHV-PBHICJAKSA-N 320.864 4.825 30 20 DJED C[C@H](CCC#N)CN(Cc1cc(F)ccc1F)C1CCCC1 1658438231 PQARPJSONZJJIV-CQSZACIVSA-N 306.400 4.649 30 20 DJED C[C@@]1(C#N)CCCN(CCCc2c(Cl)cccc2Cl)C1 1659190877 OHIJLFZSZHAJGU-INIZCTEOSA-N 311.256 4.552 30 20 DJED CCCn1c(/N=C(\O)CCOc2ccccc2)nc2ccccc21 9219716 NBFVVXCGAWCNIH-UHFFFAOYSA-N 323.396 4.503 30 20 DJED C=CCN(C(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 60525586 CJGQSXUVJZQIBV-UHFFFAOYSA-N 305.299 4.538 30 20 DJED N#Cc1ccsc1NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 108674280 JYZHLZWZGDOBFG-DLBZAZTESA-N 318.401 4.515 30 20 DJED C=CCC(CC=C)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 151128843 XLTCGPOURPCWBF-MRXNPFEDSA-N 320.436 4.694 30 20 DJED C#CCCCCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 179780499 ACEOKPHRXUDJJZ-INIZCTEOSA-N 324.251 4.851 30 20 DJED Cc1cc(N[C@H](C)c2ccc(OCC#N)cc2)ccc1OC(C)C 179981912 KKDMGKVWKOLERH-MRXNPFEDSA-N 324.424 4.858 30 20 DJED CC(C)(C)CN(CC(C)(C)C)C(=O)Nc1ccc(CC#N)cc1 181587277 YGOHLBXONNUUKD-UHFFFAOYSA-N 315.461 4.679 30 20 DJED COc1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1OC(C)C 185986903 BNUKXQMTNJNZOY-CQSZACIVSA-N 310.397 4.527 30 20 DJED C[C@H]1CCC[C@@H](CNc2ccc(C#N)c(Br)c2)C1 235629817 WBLQCAUSIZIBHC-NWDGAFQWSA-N 307.235 4.559 30 20 DJED CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1O 287863312 XMZZPNAUVOYACU-YVEFUNNKSA-N 314.816 4.719 30 20 DJED Cc1nc(-c2ccccc2)sc1CNc1cccc(F)c1C#N 301140611 FGDHXPPMHPYLKQ-UHFFFAOYSA-N 323.396 4.741 30 20 DJED Cc1cncc(/C(O)=N/[C@H]2CC3(CCCC3)Oc3ccccc32)c1 330166423 XZYBHFLPHLDFIH-KRWDZBQOSA-N 322.408 4.531 30 20 DJED C=CCC[C@H](C(=O)N[C@H](C)c1ccncc1CC)c1ccccc1 427930271 ATUZTNOTRZEBGP-UZLBHIALSA-N 322.452 4.571 30 20 DJED C=CCC(CC=C)C(=O)N(C)c1nc2cc(Cl)ccc2s1 435980632 JFMBPVCJTQGAOG-UHFFFAOYSA-N 320.845 4.681 30 20 DJED CC(C)(C#N)CCCCN1CCn2cccc2[C@H]1c1ccccc1 444637175 FVLIYRHQIFRVFY-HXUWFJFHSA-N 321.468 4.613 30 20 DJED CC(C)[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)c2ccccc21 447972584 RYSHXPNEICDMTD-UYAOXDASSA-N 308.400 4.672 30 20 DJED CCCC[C@H](CC)C(=O)N(Cc1ccc(C#N)cc1)C(C)C 463312005 ZMBAAJDTZYBYSC-SFHVURJKSA-N 300.446 4.512 30 20 DJED C=CCCC(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 469124964 ZWZKUKZGJQPMGK-UHFFFAOYSA-N 303.308 4.662 30 20 DJED CC[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(OCCCC#N)c1 474962348 CBMAWGQGGOMDRR-YJBOKZPZSA-N 314.429 4.524 30 20 DJED CCCCCN(C(=O)C[C@H](CC#N)c1ccccc1)C(C)C 475017306 QMPGJFQVIKODGA-SFHVURJKSA-N 300.446 4.501 30 20 DJED CC(C)(C#N)c1ccccc1COc1cccc2ncccc12 486916812 VTFXUWZPERLPCY-UHFFFAOYSA-N 302.377 4.615 30 20 DJED N#Cc1ccc(C(=O)N(c2ccsc2)C2CCCCC2)cc1 487215096 AUNASUZXWZBAPM-UHFFFAOYSA-N 310.422 4.599 30 20 DJED Cc1cc(CNCc2ccc(C#N)cc2)ccc1-c1ccccc1 494253255 GLUCDVCXNRDMPA-UHFFFAOYSA-N 312.416 4.824 30 20 DJED C=CCCc1ccccc1NC(=O)N1CC[C@@H](C)C[C@H](C)C1 505000221 AYEXGVTUAVZRJE-CVEARBPZSA-N 300.446 4.705 30 20 DJED CCN(Cc1cc(F)c(F)cc1F)[C@H](C)c1ccc(C#N)cc1 508673258 VOEPREBXVUXJEZ-GFCCVEGCSA-N 318.342 4.559 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc2[nH]c(C)cc2c1)c1ccccc1 535372673 FWYAOGHKOFZSBY-HNNXBMFYSA-N 304.393 4.775 30 20 DJED Cc1cc(CN[C@@H](C)c2cccc(C#N)c2)c2[nH]c(C)c(C)c2c1 540596674 WKNSJEZGVRFORO-INIZCTEOSA-N 317.436 4.816 30 20 DJED CC(C)(C#N)CCN1CCC(c2ccccc2C(F)(F)F)CC1 540665224 HYUYHPJYXSIEQS-UHFFFAOYSA-N 324.390 4.825 30 20 DJED C=CCC[C@@H](NCCCCN1CCCC[C@@H]1C)c1ccco1 552225384 FYWHUKRQAXRIPO-ZWKOTPCHSA-N 304.478 4.531 30 20 DJED Cc1csc([C@H](C#N)C(=O)c2ccc(C3CCCC3)cc2)n1 573612993 LDBHAEGWSHHHDB-MRXNPFEDSA-N 310.422 4.599 30 20 DJED CC[C@H]1CN(C(=O)CCCCCC#N)CC[C@H]1c1ccccc1 588160334 FGUOEPACGKLVEL-PKOBYXMFSA-N 312.457 4.503 30 20 DJED CC(C)(C#N)CCCN1CC[C@@H]1c1ccc(Br)cc1 595845290 MZGYELKUCGBJBN-OAHLLOKOSA-N 321.262 4.526 30 20 DJED Cc1ccc(C[C@@H](C#N)Sc2ncc(-c3ccccc3)[nH]2)cc1 603549389 GOVYZJZZAMLRBX-KRWDZBQOSA-N 319.433 4.612 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 604906121 OTAAAPOYYSLRJJ-GFCCVEGCSA-N 322.836 4.748 30 20 DJED C=CCCCCCN(C)C(=O)CCSc1ccc(F)cc1 606816618 GEWHNIIQOYWBKO-UHFFFAOYSA-N 309.450 4.513 30 20 DJED C[C@@H](C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(C)(C)C 609651883 OZYMWHMEPQILNJ-AWEZNQCLSA-N 322.408 4.971 30 20 DJED CCN(CCOC1CCCCCC1)[C@@H](C)c1ccc(C#N)cc1 609850447 FATMFHRNUYAFQL-KRWDZBQOSA-N 314.473 4.681 30 20 DJED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(-c3ccccn3)cc2)C1 667122624 IHEXMCXPGALIEC-MRXNPFEDSA-N 321.424 4.569 30 20 DJED C=CCCN(C)C(=O)Nc1cccc(Sc2ccccc2)c1 682415132 GPRCTFTZRARYFG-UHFFFAOYSA-N 312.438 4.878 30 20 DJED C=C(Cl)COc1cc(C(F)(F)F)ccc1Br 697817384 TZXREGBPDJLUQU-UHFFFAOYSA-N 315.516 4.599 30 20 DJED N#Cc1cccc(C(=O)/C=C\c2nc(-c3ccccc3)cs2)c1 726875159 OWXKHRUIJJFXGQ-KTKRTIGZSA-N 316.385 4.578 30 20 DJED O=C1/C(=C\c2ccc(OC(F)F)cc2)CCc2sccc21 726892624 NTBKMOVRGRMZEX-LUAWRHEFSA-N 306.333 4.562 30 20 DJED C=CC[C@H](NC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1)c1ccncc1 734459714 JYIWGBRBXGKFMS-JZXOWHBKSA-N 314.473 4.668 30 20 DJED CCCCCC[C@@H](CC)C(=O)Nc1cccc(OCC#N)c1 735003451 VJCBIWVPRDVVHG-OAHLLOKOSA-N 302.418 4.524 30 20 DJED CCCCCC[C@H](C)C(=O)Nc1cc(C#N)ccc1OC(F)F 741921137 XKYWQMJFDYYLRP-LBPRGKRZSA-N 324.371 4.705 30 20 DJED Cc1nc(C)c(CON=Cc2cccc(Cl)c2Cl)s1 742350430 AHWXSVNEAKJIJF-UHFFFAOYSA-N 315.225 4.617 30 20 DJED O=C(/C=C/c1ccc(F)c(Br)c1)c1ccsc1 749102565 URJPIPVDQXTVPT-DUXPYHPUSA-N 311.175 4.546 30 20 DJED COc1cc(C)c(/C=C\C(=O)c2ccc(Cl)s2)cc1OC 751511791 ANOAVPBQRARHAB-PLNGDYQASA-N 322.813 4.623 30 20 DJED Fc1ccc(/C=C/C=NOc2ccccc2C(F)(F)F)cc1 754712330 MKHKUSJLBGCQRH-XVYPUBKXSA-N 309.262 4.923 30 20 DJED C/C(=C/c1cccc(Cl)c1)C(=O)N(CCC#N)CC(C)(C)C 759013249 FIPJOMIMSOTGEU-KAMYIIQDSA-N 318.848 4.532 30 20 DJED CC(C)c1ccc(C=NOCc2ncc(C(C)(C)C)o2)cc1 760417913 YIPGNWJNTJTCFA-UHFFFAOYSA-N 300.402 4.646 30 20 DJED N#Cc1c(F)ccc(/C=C2/CCc3sccc3C2=O)c1Cl 761477605 NYHOPTIEMZXWBC-YFHOEESVSA-N 317.772 4.625 30 20 DJED CC(C)(C#N)CCCCOC(=O)[C@@H]1CCSc2ccccc21 768739215 WSLKKOHFZXAWDN-OAHLLOKOSA-N 317.454 4.529 30 20 DJED O=C(/C=C\c1ccccc1Br)c1cccc(F)c1F 776268453 OTMRYTPEXYTFAJ-HJWRWDBZSA-N 323.136 4.623 30 20 DJED Cc1ccc(-c2cccc(C=NN[C@@H]3CCOC(C)(C)C3)c2)cc1 780249026 CDZVXTLEKSHACW-HXUWFJFHSA-N 322.452 4.543 30 20 DJED Clc1cccc(NN=Cc2cnc(-c3ccco3)s2)c1 782119764 NVCOHVFQRVOFBU-UHFFFAOYSA-N 303.774 4.503 30 20 DJED C[C@@H](C(=O)OCCCC(C)(C)C#N)c1ccc2ccccc2c1 784064643 DFCSQWJMTGAHPL-OAHLLOKOSA-N 309.409 4.816 30 20 DJED C=CC[C@H](N[C@@H](C)c1ccc(Cl)cc1OC)c1ccncc1 817576981 BHYHQCHQZJJZMC-GUYCJALGSA-N 316.832 4.712 30 20 DJED CC(=NNc1ccc(Br)cc1)c1cc(C)sc1C 912828010 BYBMDSXXQMMVPN-UHFFFAOYSA-N 323.259 4.964 30 20 DJED O=C(/C=C\c1c(Cl)nc2ccccn12)c1cc2ccccc2o1 916138616 ZOQVQDUCXUNOJU-HJWRWDBZSA-N 322.751 4.630 30 20 DJED CC(=NNc1cc(C)ccc1C)c1ccc(OC(F)F)cc1 916346112 VNRSJHOMXBNLKR-UHFFFAOYSA-N 304.340 4.741 30 20 DJED COc1cccc(/C=C\C(=O)c2ccc(C)s2)c1OC(F)F 917043650 LTODGLNCOCKUML-FPLPWBNLSA-N 324.348 4.563 30 20 DJED CCCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](C#N)C1 931047236 DRCKXSPWYXJDBU-HNNXBMFYSA-N 313.445 4.530 30 20 DJED N#Cc1ccc(C2CCN(Cc3ccccc3Cl)CC2)cc1 1176579055 QUHGISPRQCMOGX-UHFFFAOYSA-N 310.828 4.591 30 20 DJED CCN(C(=O)OCC1CCCCC1)[C@H](C)c1ccc(C#N)cc1 1208370690 VMDGRCVQWBOCIU-OAHLLOKOSA-N 314.429 4.658 30 20 DJED C[C@@H]1C[C@H](CCNC(=O)Nc2sccc2C#N)CC(C)(C)C1 1219354936 WQKRPAZPYOECBH-OLZOCXBDSA-N 319.474 4.594 30 20 DJED Cc1ccc(O)c2c1[C@@H](C)CC2=NNc1nccc2sccc12 1321691894 QOFPBUGRWZFPAV-NSHDSACASA-N 323.421 4.634 30 20 DJED CC[C@@H](CN(CC)c1ncc(C#N)cc1Cl)c1ccccc1 1458332832 TWQXEXSQJSPOER-HNNXBMFYSA-N 313.832 4.627 30 20 DJED CC(C)(C(=O)O[C@H]1CCC[C@H](C#N)C1)c1cccc2ccccc12 1460800121 YKWHVTUVMNFHDO-RDJZCZTQSA-N 321.420 4.743 30 20 DJED C=C(Cl)CNCc1ccc(N(CC)c2ccccc2)cc1 1461232889 SCUPLEBDNFMYLE-UHFFFAOYSA-N 300.833 4.687 30 20 DJED COc1ccc([C@@H](C)SCc2cc(F)ccc2C#N)cc1 1472982842 ODLWYTRYZQDXQZ-GFCCVEGCSA-N 301.386 4.700 30 20 DJED CC1(C)C[C@@]1(C(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 1525623211 RCRNYUHQXWFMQM-IBGZPJMESA-N 324.811 4.518 30 20 DJED CCc1c(C)sc(NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1C#N 1527988557 SMAQMMAVUOHWSK-NTZNESFSSA-N 304.459 4.501 30 20 DJED C[C@@H]1CCCC[C@@H]1CCNc1ccc(C#N)c(Br)c1 1559107180 SZLXZBRSMZIXJH-CHWSQXEVSA-N 321.262 4.949 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)C1 1583559014 BYEJZLMYXWVBTR-ZVEHZALQSA-N 319.404 4.569 30 20 DJED Cc1cccc([C@H]2CCN(Cc3ccc(C#N)cc3Cl)C2)c1 1617147289 QOOCQIBQVDLFBN-KRWDZBQOSA-N 310.828 4.510 30 20 DJED C=C(CNC(=O)N[C@H](CCC)c1ccccc1)c1ccccc1 1629671366 SQRPHSHJTTXSST-LJQANCHMSA-N 308.425 4.540 30 20 DJED CC(C)(C)OCc1ccc(Nc2ccc(Cl)c(C#N)n2)cc1 1639586135 CUXUVLADCDSFPB-UHFFFAOYSA-N 315.804 4.665 30 20 DJED CC(C)[C@@H](Cc1ccc(F)cc1)Nc1cccc(F)c1C#N 1651565276 JXFIEPFWUCDBDA-GOSISDBHSA-N 300.352 4.516 30 20 DJED Cc1ccc(C)c(-n2ccnc2SCc2ccc(C#N)cc2)c1 1652510067 GESIONITTOHIMV-UHFFFAOYSA-N 319.433 4.653 30 20 DJED CC[C@@H](CC#N)NCc1ccccc1Oc1ccc(C)cc1OC 1657119197 XAXVRPWWDLZZQS-KRWDZBQOSA-N 324.424 4.578 30 20 DJED C[C@H](CN[C@H]1CCc2cc(C#N)ccc21)c1cccc(Cl)c1 1657986949 ISNVRHPGNQQZHA-YJYMSZOUSA-N 310.828 4.592 30 20 DJED COc1ccc2cc(/C=C/C(=O)c3ccccc3F)ccc2c1 7741244 MVFUTMXUPUYZLS-YRNVUSSQSA-N 306.336 4.884 30 20 DJED N#Cc1ccc(COc2ccccc2-c2ccccc2)c(F)c1 11230187 ZIKWQTYJKJRJAY-UHFFFAOYSA-N 303.336 4.943 30 20 DJED O=C(/C=C/c1cccc2c1OCO2)c1ccc(Cl)c(Cl)c1 59269402 SYPNNIVQRKIRFY-FNORWQNLSA-N 321.159 4.618 30 20 DJED N#Cc1cccc(CN[C@@H](c2ccccc2)c2cccc(F)c2)c1 88536429 HOBPIIYOHZPMDN-NRFANRHFSA-N 316.379 4.577 30 20 DJED C[C@@H](c1ccco1)N(Cc1cccc(OCCCC#N)c1)C1CC1 92483600 VQZAQFDNHJXMNU-INIZCTEOSA-N 324.424 4.688 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2cc3cc(Cl)ccc3o2)cc1 96765902 RGTLXPCVPWGEIW-ALCCZGGFSA-N 307.736 4.854 30 20 DJED CCCOc1cc(C)ccc1CN[C@@H](C)c1ccc(C#N)cc1 125928436 MGMSRQOIFRVCRC-INIZCTEOSA-N 308.425 4.506 30 20 DJED CCCc1ccccc1NC(=O)N[C@H](CCC#N)c1ccccc1 160114545 KVZGWAIQKGPDTC-LJQANCHMSA-N 321.424 4.806 30 20 DJED N#CCCCCSCCOc1ccc(Cl)cc1Cl 161026831 GDIHUSVFKCZPFX-UHFFFAOYSA-N 304.242 4.799 30 20 DJED C#Cc1cccc(NCc2nc(C)c(-c3ccc(Cl)cc3)o2)c1 163630044 IOWKNHWRKVLXAV-UHFFFAOYSA-N 322.795 4.897 30 20 DJED CC(C)(C#N)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl 278567846 QONPFZJXILHMBF-UHFFFAOYSA-N 305.592 4.525 30 20 DJED CC[C@H](Nc1ccc(C(F)(F)F)cc1C#N)c1c(C)noc1C 301804154 BAGFELLQYYTOCA-ZDUSSCGKSA-N 323.318 4.745 30 20 DJED CC1(C)CCC[C@@H](/N=C(/O)c2ccc3c(c2)N=C(O)C3(C)C)C1 328997725 KENHOWGMAFCYAG-CYBMUJFWSA-N 314.429 4.839 30 20 DJED CC1(C)CC[C@@H](/N=C(/O)c2conc2C2CC2)c2ccccc21 329212281 HRZPKMXHZLWLMD-MRXNPFEDSA-N 310.397 4.669 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCCc2ccc(F)cc21 341799812 COTFSKSYMONWFE-NHCUHLMSSA-N 320.411 4.742 30 20 DJED CC(C)(CCC#N)CNc1ccc(-c2cnc(C3CC3)o2)cc1 355494516 BRFHBXDQOPLLKW-UHFFFAOYSA-N 309.413 4.961 30 20 DJED CC(C)c1ccoc1-c1noc(-c2ccc(C(C)(C)C#N)cc2)n1 426233454 SHLZRUIFYQZBJK-UHFFFAOYSA-N 321.380 4.921 30 20 DJED CC[C@@H](c1ccc(F)cc1)[S@](=O)CCCCC(C)(C)C#N 436108135 XJGFLBODQZGZRT-HRAATJIYSA-N 309.450 4.746 30 20 DJED Cc1ccc(-c2cnc(COc3ccc(C#N)c(Cl)c3)o2)cc1 438897000 SZZMJHHBJKPCOS-UHFFFAOYSA-N 324.767 4.754 30 20 DJED Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(Oc2ccccc2)c1 442796372 VMSQJEXLQRPRDL-FUHWJXTLSA-N 306.409 4.569 30 20 DJED CC[C@H](NCc1ccc(OC(C)C)cc1)c1ccc(C#N)cc1 447528777 ILMVDIVQKMPNLN-FQEVSTJZSA-N 308.425 4.586 30 20 DJED C=C[C@](C)(CC)C(=O)N(CC)Cc1cccc(-c2ccncc2)c1 468010592 ZRJIHANWMFXPJI-OAQYLSRUSA-N 322.452 4.699 30 20 DJED N#CCCCCN1CCCC[C@H]1c1cccc(C(F)(F)F)c1 469518980 MEUVWEZKLWMHRH-INIZCTEOSA-N 310.363 4.926 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(C(F)F)cc1 470641926 PLRIJYWZMSQICU-UHFFFAOYSA-N 315.363 4.843 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Cc1c[nH]c2cccc(C)c12 482910386 KYUCMXVBAYXFFU-UHFFFAOYSA-N 324.468 4.614 30 20 DJED C=CCc1ccc(OCc2cc(-c3ccccc3)no2)c(OC)c1 492145377 VCVWSEMKANOHDK-UHFFFAOYSA-N 321.376 4.658 30 20 DJED N#Cc1c(NC(=O)C2CCCC2)sc2c1-c1ccccc1CC2 515628191 XXSSNZIKRTUTTA-UHFFFAOYSA-N 322.433 4.514 30 20 DJED C=CCn1c(C)nnc1S[C@@H](C)c1c(C)cc(C)cc1C 516549191 HSTLKHMWIWZSPF-AWEZNQCLSA-N 301.459 4.551 30 20 DJED Cc1ccccc1[C@@H](c1noc(-c2cc(C#N)oc2C)n1)C(C)C 518258045 PYILAFVMHOEOQV-KRWDZBQOSA-N 321.380 4.606 30 20 DJED C=CC1CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CC1 520327621 MTZAWGOPWYHKFS-UHFFFAOYSA-N 315.413 4.592 30 20 DJED CC[C@H](c1ccccc1)N1CCC(Oc2cccc(C#N)c2)CC1 520608323 DGNSZFTWDLOSEQ-OAQYLSRUSA-N 320.436 4.553 30 20 DJED N#Cc1cccc(C[S@](=O)c2ccc(C3CCCCC3)cc2)c1 521709550 YLDURXCUOWCDFP-QHCPKHFHSA-N 323.461 4.914 30 20 DJED N#CCC[C@@H](Nc1nnc(-c2ccccc2)s1)c1ccccc1 532674024 QECPHOYUEWWMBV-MRXNPFEDSA-N 320.421 4.662 30 20 DJED CC(C)c1ccc2c(c1)[C@H](NCc1cc(C#N)cs1)CCC2 535690171 OGLPPFXWQLOQPR-LJQANCHMSA-N 310.466 4.910 30 20 DJED C=C[C@H](CC(=O)Nc1nc(-c2ccco2)cs1)c1ccccc1 536187574 WYRLTZDZNLBIHO-CYBMUJFWSA-N 324.405 4.702 30 20 DJED C=CC[C@@H](C)N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C 540174735 WGOABCBXJSXYCY-CHWSQXEVSA-N 316.470 4.742 30 20 DJED C=CCSc1ccccc1C(=O)N(C)c1ccc(F)c(F)c1 548600673 HRASLYFPPPCPIM-UHFFFAOYSA-N 319.376 4.520 30 20 DJED Cc1c([C@@H](C)NC2(c3cccc(C#N)c3)CC2)oc2ccccc12 560261095 HXPAUMUJXMKFKJ-OAHLLOKOSA-N 316.404 4.953 30 20 DJED Cc1ccccc1C(N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1C 572019276 SFBMWNZWAQDNLN-QZTJIDSGSA-N 304.437 4.675 30 20 DJED CC(C)(C#N)CCCSCc1cnc(-c2ccccc2)nc1 596410676 VNHYFYLXHYZILV-UHFFFAOYSA-N 311.454 4.707 30 20 DJED C=CC[C@H](C)NC(=O)N(CCC)[C@@H](C)c1cc2ccccc2o1 604900688 ANEDGZQYEKOWLO-GJZGRUSLSA-N 314.429 4.880 30 20 DJED C[C@H](NC(=O)Nc1cccc2ccccc12)c1cccc(C#N)c1 610317211 UKWDJYXAPGTFNG-AWEZNQCLSA-N 315.376 4.594 30 20 DJED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1Cl 618801697 BROILKUZLZREQQ-VOJFVSQTSA-N 314.791 4.689 30 20 DJED C=C(CNC(=O)CCCc1cc(C)sc1C)c1ccccc1 672483262 YBWMRFXUIPXOQL-UHFFFAOYSA-N 313.466 4.517 30 20 DJED Cc1cc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c(C)s1 684676145 VMQPJULILUWQSB-GFCCVEGCSA-N 318.467 4.609 30 20 DJED CCCCCCCCCCC(=O)N1CCC[C@H](c2cc[nH]n2)C1 726530280 FVHVFAPLGXLKLC-KRWDZBQOSA-N 319.493 4.647 30 20 DJED CCCCCCC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730416566 DEGOMUZXBHCLLM-GFCCVEGCSA-N 304.390 4.582 30 20 DJED O=C1/C(=C\c2cc(C(F)(F)F)ccc2F)Cc2ccccc21 733205550 ZDYFBWXMDFEHKZ-WQLSENKSSA-N 306.258 4.667 30 20 DJED C=CCN(C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C)C(C)C 745876749 UZAARYRHUSAEFD-KBRIMQKVSA-N 320.864 4.643 30 20 DJED Cc1cc(C=NOCc2ccc(C(F)(F)F)cc2)cc(C)c1O 746577811 ZPVPSRCPOKENQH-UHFFFAOYSA-N 323.314 4.579 30 20 DJED N#CCCCOC(=O)c1ccc(Oc2ccccc2Cl)cc1 747084370 DNXSNIYCSJLNNJ-UHFFFAOYSA-N 315.756 4.593 30 20 DJED C[C@@H]1CC(=NNc2ccc(Cl)nn2)C[C@H](c2ccccc2)C1 749853665 SGUWTIHLCKJOPO-GXTWGEPZSA-N 314.820 4.502 30 20 DJED Cc1cc(C)c2nc(C3CC3)cc(C(=O)OCCCCC#N)c2c1 752185118 NZSOCPBJSGEPFF-UHFFFAOYSA-N 322.408 4.580 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C/c1coc(-c3ccccc3)n1)CC2 753900075 HLTUHASIMLSXGS-SFQUDFHCSA-N 315.372 4.863 30 20 DJED C#CC[C@@H](NCc1nc(-c2ccccc2)cs1)c1ccccc1 756997314 LTMMRDLKDNWCNZ-GOSISDBHSA-N 318.445 4.664 30 20 DJED Cc1cc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)ccc1C#N 766492576 ZFULYWHFNXVYSB-VURMDHGXSA-N 324.383 4.825 30 20 DJED CC#CCCCC(=O)O[C@@H](c1cccc(Cl)c1)C(F)(F)F 767103484 SJOYMKGHVLAKKO-AWEZNQCLSA-N 318.722 4.680 30 20 DJED CC(C)(C#N)CCCCN1CCC(c2ccc(F)cc2)CC1 769729679 LCSAMOSIPWDYSM-UHFFFAOYSA-N 302.437 4.725 30 20 DJED CCSc1cccc(/C=C/C(=O)c2c(C)nn(CC)c2C)c1 769742130 IARBTDRXBNINRB-ZHACJKMWSA-N 314.454 4.528 30 20 DJED CC(=NNc1cc(C)c2ccc(C)c(C)c2n1)c1cnccc1C 771551457 YEPFDPSTVMMKCL-UHFFFAOYSA-N 318.424 4.700 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2cccc3ccccc23)c(F)c1 772803947 WJHFHBWLMLCBGK-KHPPLWFESA-N 301.320 4.747 30 20 DJED C=CCC[C@@H](C(=O)Oc1ccc(C(C)=O)cc1)c1ccccc1 777401440 GYBTZHUDMMOMPY-LJQANCHMSA-N 308.377 4.545 30 20 DJED CCCn1c(-c2ccc(O[C@H](C)C#N)cc2)nc2ccc(F)cc21 788694239 ZBNHHHDKCKOUNX-CYBMUJFWSA-N 323.371 4.543 30 20 DJED CC(=NNc1ncccc1C)c1cc(F)c(Cl)cc1Cl 790185986 LYYODOOSYMUUSM-UHFFFAOYSA-N 312.175 4.672 30 20 DJED CCCOc1cc(/C=C/C(=O)c2cc(C)c(C)o2)ccc1OC 799895321 AEIJUSGMNRJLLY-SOFGYWHQSA-N 314.381 4.590 30 20 DJED C#C[C@H](NCc1cnc(C(C)C)s1)c1ccc(Cl)cc1F 809699348 QPZNITJRYVVZPC-HNNXBMFYSA-N 322.836 4.523 30 20 DJED O=C(/C=C\c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCO2 834869943 FEACEKXSTKGZQA-CLTKARDFSA-N 318.294 4.536 30 20 DJED C=CCN(Cc1ccccc1)C(=O)/C=C\c1ccc(Cl)s1 914610990 VUAYPSQASHDFIF-LUAWRHEFSA-N 317.841 4.630 30 20 DJED N#CCCn1cc(C=NNc2ccccc2Cl)c2ccccc21 916262749 XLTUDUPNTVCLCT-UHFFFAOYSA-N 322.799 4.654 30 20 DJED Cc1nn(C)c(C)c1C(=O)/C=C/c1ccccc1-c1ccccc1 920832693 QMEMZMZKYIEEHD-BUHFOSPRSA-N 316.404 4.600 30 20 DJED N#C[C@H]1CCC[C@H](OC(=O)CCc2ccc(-c3ccccc3)o2)C1 1129607736 TWKBCWSKBSLFBG-YJBOKZPZSA-N 323.392 4.505 30 20 DJED Cc1ccc(C(=O)N(c2ccccc2)[C@H](C)C(C)C)cc1C#N 1133508402 ORHSXHFKPFJFNM-MRXNPFEDSA-N 306.409 4.558 30 20 DJED CC[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(C#N)s1 1191234528 VKQOTUGGOJNBRY-MOPGFXCFSA-N 310.466 4.778 30 20 DJED N#CC1(CN(Cc2ccccc2Cl)c2ccc(F)cc2)CC1 1192442721 CGVHZCVLGYNTOY-UHFFFAOYSA-N 314.791 4.789 30 20 DJED Cc1c(CNCC(C)(C)CC#N)sc2c(Cl)cccc12 1202759313 BMPOKZMSGYRLOK-UHFFFAOYSA-N 306.862 4.893 30 20 DJED C#CC[C@H](N[C@H]1C[C@@H](C)c2c(C)ccc(O)c21)c1ccccc1 1321037298 KCESDEVOPJCNRZ-NJAFHUGGSA-N 305.421 4.603 30 20 DJED CCc1c(C)sc(NC(=O)[C@@H]2CCCCC2(C)C)c1C#N 1358399882 YTZKRGSISNWBMR-AWEZNQCLSA-N 304.459 4.646 30 20 DJED N#Cc1cccc(C#N)c1NC[C@H]1CCCC[C@H]1c1ccccc1 1458381434 JVECAUPWRJZBFH-UXHICEINSA-N 315.420 4.816 30 20 DJED CCCN(C(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1F 1461586299 UHAHTTZNBNXNPJ-UHFFFAOYSA-N 324.399 4.684 30 20 DJED C=C(CNC(=O)N(Cc1ccccc1)[C@H](C)CC)c1ccccc1 1470420935 UNUJZSKBIFXBGI-GOSISDBHSA-N 322.452 4.710 30 20 DJED C=C(Br)CN1CCCC[C@H]1c1cccc(C)c1C 1473186172 JNUQFXAXCNTEQU-INIZCTEOSA-N 308.263 4.739 30 20 DJED C=C(CNCc1cc(Cl)cc2cccnc12)c1ccccc1 1473982203 BXQVNEQQASCOJF-UHFFFAOYSA-N 308.812 4.691 30 20 DJED Cc1cccc2c(C(=O)N[C@H](CCC#N)c3ccccc3)coc12 1519986856 VMTQBZQWIBCRPL-GOSISDBHSA-N 318.376 4.516 30 20 DJED Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(C#N)c1 1521495500 POVXSKAPPMVVFC-UHFFFAOYSA-N 312.372 4.786 30 20 DJED CCCC[C@@H](C(=O)Nc1cc(C#N)c2ccccc2n1)C(C)C 1525446571 DJZKWCIUMQDBEL-OAHLLOKOSA-N 309.413 4.507 30 20 DJED CCc1c(C)sc(NC(=O)C2[C@H]3CCCCCC[C@H]23)c1C#N 1536889367 IUBFIMQAAUJDDD-KBPBESRZSA-N 316.470 4.646 30 20 DJED C=C(Br)CN(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 1559591403 ZGGRIMJGGJMMMG-VXGBXAGGSA-N 316.670 4.672 30 20 DJED CCOC(=O)c1cccc(S[C@H](C)c2ccc(C#N)cc2)c1 1613757058 NJMINMCEFPYXSZ-CYBMUJFWSA-N 311.406 4.588 30 20 DJED CCN(Cc1cccc2ncccc12)[C@H](C)c1ccc(C#N)cc1 1652330246 ZVDYNPAAMYJYFN-MRXNPFEDSA-N 315.420 4.690 30 20 DJED Cc1cc(C#N)cc(NCc2cccc(OC3CCCC3)c2)c1 1656435156 BJTIVWSRVNBOKI-UHFFFAOYSA-N 306.409 4.800 30 20 DJED C[C@H](CC(C)(C)c1ccccc1)NCc1cc(C#N)ccc1F 1660710033 XXNUGXQVSUTIFF-OAHLLOKOSA-N 310.416 4.543 30 20 DJED C[C@@H](Cc1ccc(F)cc1Cl)Nc1ccc(CC#N)cc1 1664218567 MRCZXPNUPZWYCQ-LBPRGKRZSA-N 302.780 4.588 30 20 DJED C=CCn1c(S[C@@H](C)CC)nnc1-c1ccc(Cl)cc1 39754542 IFUYNTKKBHUEDK-NSHDSACASA-N 307.850 4.675 30 20 DJED Cc1nc(SCCCSCC#N)n(C2CCCCC2)c1C 75075737 OUBBABGWNGZZIC-UHFFFAOYSA-N 323.531 4.744 30 20 DJED COc1ccc(C(C)=NNc2nc(-c3ccccc3)cs2)cc1 254287939 IFQRBFDQHNTOAZ-UHFFFAOYSA-N 323.421 4.655 30 20 DJED C[C@@H](c1cccc(Cl)c1)[S@](=O)CCCCC(C)(C)C#N 277988922 UCRRWIXMNCXIEQ-RNODOKPDSA-N 311.878 4.870 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(Cl)cc1Cl 435664741 NQWFEYZRYISYAX-OZVIIMIRSA-N 314.256 4.625 30 20 DJED C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 437303420 CEGHWBYNFSYOMY-XJKSGUPXSA-N 324.251 4.734 30 20 DJED CC1(C)CCCN(Cc2csc(C3CCCCC3)n2)[C@@H]1C#N 444721493 FQCKKCHRFGYNMJ-MRXNPFEDSA-N 317.502 4.705 30 20 DJED Cc1ccc(C[S@](=O)CCCCC(C)(C)C#N)c(Cl)c1 447131265 FWZJOWQXNVWGSL-HXUWFJFHSA-N 311.878 4.617 30 20 DJED COc1cc(N[C@@H](C)c2cccc(C#N)c2)ccc1C(F)(F)F 448021006 GCUAGJAJIUGJBQ-NSHDSACASA-N 320.314 4.759 30 20 DJED CC(C)Sc1ccc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1 463304710 SDAJSZPSTHCRBU-ZOBUZTSGSA-N 302.487 4.920 30 20 DJED C=CCC[C@@H](CCC)N[C@@H](C)c1ccc(Br)cn1 475512290 YKVWWMRPBBEODR-GXTWGEPZSA-N 311.267 4.630 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCC[C@H]1c1ccsc1 480525195 STSUNVWFFICZFY-INIZCTEOSA-N 302.830 4.610 30 20 DJED N#CC[C@@H](CC(=O)Nc1cc(F)cc(Cl)c1)c1ccccc1 483845705 DRHWBVQYWIOVHH-ZDUSSCGKSA-N 316.763 4.505 30 20 DJED N#Cc1ccc(CSCc2ccccc2OC(F)F)cc1 521162862 GIGJNBNBXPAYBI-UHFFFAOYSA-N 305.349 4.593 30 20 DJED C[C@H](Sc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(Cl)cc1 521718756 QDHZYROUCPORIB-JTQLQIEISA-N 318.785 4.973 30 20 DJED C=CC[C@H](C)NC(=O)C1(c2ccc(Cl)cc2)CCCCC1 523969237 CZFPOLONDNKDPP-AWEZNQCLSA-N 305.849 4.623 30 20 DJED C=C[C@@H](CC(=O)N1CC[C@@H](c2ccc(F)cc2)C1)c1ccccc1 530312830 WBBBKMXKJGLFDA-QFBILLFUSA-N 323.411 4.502 30 20 DJED C=C(CC)CS[C@H](C)C(=O)Nc1c(CC)cccc1CC 536881115 HCPHRDJJISSSHB-CQSZACIVSA-N 305.487 4.838 30 20 DJED Cc1cccc(C)c1NC(=O)c1sc2ccc(C#N)cc2c1C 551568980 CBJKFSADHPRWFK-UHFFFAOYSA-N 320.417 4.951 30 20 DJED CC[C@@H](C)n1ncc(NC2CCC(C)(C#N)CC2)c1C1CC1 568837615 KQBRPZHMRHEILL-MJJDPTRDSA-N 300.450 4.616 30 20 DJED CN(C(=O)CCCCCC#N)c1ccccc1Oc1ccccc1 588903848 OSIXYZWZWNMTLU-UHFFFAOYSA-N 322.408 4.916 30 20 DJED CN(C(=O)CCCCCC#N)[C@H]1CCCC[C@H]1c1ccccc1 591311446 VABIPOFKPVJYEG-OALUTQOASA-N 312.457 4.645 30 20 DJED CCC[C@H](N[C@H](C)c1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 610829704 FUCCEAPRHUNFHW-KUHUBIRLSA-N 323.396 4.658 30 20 DJED CCCc1ccc(C(=O)/C=C/c2c(Cl)nc(Cl)n2C)cc1 728440468 YEDCCGLENFXBSY-MDZDMXLPSA-N 323.223 4.576 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C/C=C\c3ccccc3)c2c1 734306619 HLMOCBSCAJGQJQ-VTBWALSUSA-N 303.361 4.629 30 20 DJED Brc1ccoc1C=NNc1cccc2ccccc12 735230077 XKSPNVVHFAWUQY-UHFFFAOYSA-N 315.170 4.641 30 20 DJED C=C(C)CN[C@@H](c1ccccc1Cl)c1ccccc1OC 742262086 LJMVKVIUQHKHJR-SFHVURJKSA-N 301.817 4.604 30 20 DJED CCC(=NNc1oc(C(C)C)nc1C#N)c1ccc(Cl)cc1 745624349 JVOBYGLRODUTAK-UHFFFAOYSA-N 316.792 4.549 30 20 DJED Cc1ccc(/C=C/C(=O)c2oc3ccccc3c2C)cc1[N+](=O)[O-] 747141238 WOTGGZIMZFUACF-MDZDMXLPSA-N 321.332 4.854 30 20 DJED CCCCOc1ccccc1/C=C\C(=O)c1ccc(C#N)s1 767360864 SUQPINRMZQAMJZ-NTMALXAHSA-N 311.406 4.695 30 20 DJED Cc1nc(SCc2ccccc2C(C)(C)C#N)sc1C 768398805 KHIGPVCBTREEQW-UHFFFAOYSA-N 302.468 4.853 30 20 DJED CC(C)(C#N)CCCCOC(=O)CC(C)(C)c1ccccc1 768644857 PLSFIYVDDRTLLV-UHFFFAOYSA-N 301.430 4.618 30 20 DJED FC(F)(F)c1ccc(CNN=Cc2cscc2Cl)cc1 771877469 QWUBWBSGZFNUIY-UHFFFAOYSA-N 318.751 4.544 30 20 DJED C=CC[C@H](OC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 778737769 PLJYRMKBSLXUAV-IBGZPJMESA-N 305.377 4.571 30 20 DJED CC(C)c1nc(C#N)c(NN=C2CC[C@@](C)(c3ccccc3)C2)o1 780214555 RRZNKFUZDZQFMZ-LJQANCHMSA-N 322.412 4.579 30 20 DJED C[C@H](C=Nn1cnc2ccccc21)c1ccc(C(F)(F)F)cc1 788975139 LELLCGDIYSZRFJ-GFCCVEGCSA-N 317.314 4.693 30 20 DJED C=CC[C@@H](CC)NC(=S)Nc1c(Cl)ccc(C)c1Cl 798376156 QHUQQVDYAGMJNW-SNVBAGLBSA-N 317.285 4.943 30 20 DJED CCC(=NNc1ncc(C(F)(F)F)cc1Cl)c1ccco1 814696925 ZQPHEGSVMGLWBQ-UHFFFAOYSA-N 317.698 4.573 30 20 DJED CC(=NNc1nnc(-c2ccccc2)s1)c1cc(C)ccc1C 814948729 BXKXZTWSHYCGFP-UHFFFAOYSA-N 322.437 4.658 30 20 DJED CCc1cccc(NC(=S)N(C)[C@H](C)c2cccc(C#N)c2)c1 819029179 YMCBIDGRHNPWBW-CQSZACIVSA-N 323.465 4.510 30 20 DJED C=CC[C@@H]1N(C(=O)C[C@]2(C)CC2(Cl)Cl)CCCC1(C)C 830568438 INVORKGWNJCQOR-SWLSCSKDSA-N 318.288 4.554 30 20 DJED CC[C@@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1cccc(C#N)c1 903006841 OQCPTWWQBHZRPG-NIKGAXFTSA-N 306.409 4.511 30 20 DJED CCCCCCCC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 916083258 GBSFUQHKGTVFTQ-UHFFFAOYSA-N 322.474 4.597 30 20 DJED CCOc1ccc(/C=C\C(=O)c2cccc(Cl)c2)cc1OC 916137598 UJLWQZZQEZWSEO-CLFYSBASSA-N 316.784 4.643 30 20 DJED CC(C)Oc1cccc(CON=Cc2ccc(Cl)cc2)c1 917395376 KJLSOBIIZNIQRJ-UHFFFAOYSA-N 303.789 4.678 30 20 DJED CCC(CC)(C(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccccc1 1126637153 FDQGCRVQTXRAFZ-MRXNPFEDSA-N 321.420 4.920 30 20 DJED CC(C)(C)c1ccc(C#N)c(NC[C@H]2CCCc3ccccc32)n1 1184784858 KYCJJGYJEPMCIT-QGZVFWFLSA-N 319.452 4.783 30 20 DJED CC(C)c1cccc([C@@H](C)NCc2cccc(OCC#N)c2)c1 1261790889 YENFJKHDPQJHLX-MRXNPFEDSA-N 308.425 4.563 30 20 DJED C=CCOc1ccc(C(F)(F)F)cc1-c1nnc(C2CCC2)o1 1326251035 MHSSNWDALLUSJJ-UHFFFAOYSA-N 324.302 4.588 30 20 DJED C=CCCOCCCCc1nnc(-c2cccc3ccccc23)o1 1333077703 WUZUDBXENBHYQS-UHFFFAOYSA-N 322.408 4.805 30 20 DJED CC[C@H](NCc1cccc(C(F)F)c1)c1cccc(C#N)c1 1334814077 SMFKDXLQGBOKPM-KRWDZBQOSA-N 300.352 4.737 30 20 DJED C[C@@H]1CCc2c(sc(NC(=O)CCCC(C)(C)C)c2C#N)C1 1350720403 UQUBNGPWERRIAG-GFCCVEGCSA-N 318.486 4.899 30 20 DJED CCCc1cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)sc1C 1354919661 RYAKANJEAQECCA-LBPRGKRZSA-N 313.422 4.799 30 20 DJED C[C@H]1C[C@@H](C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[C@H]1C 1456951920 XWQXHVOELXIRTA-WOPDTQHZSA-N 324.346 4.588 30 20 DJED CC(C)c1ccc([C@@H]2CCCCN2c2ccc(C#N)cn2)cc1 1458307594 DNLSRMZRKYLUAX-IBGZPJMESA-N 305.425 4.808 30 20 DJED CCC[C@H](C)C(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@H]2C 1460374704 AMHMXQKTOQTKRC-SDDRHHMPSA-N 304.459 4.680 30 20 DJED CCC[C@H](C)C(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@@H]2C 1460374711 AMHMXQKTOQTKRC-WOPDTQHZSA-N 304.459 4.680 30 20 DJED C[C@@]1(c2ccccc2)CCCN(Cc2cccc(C#N)c2)CC1 1473463893 BQMKFPSCSVTWCW-OAQYLSRUSA-N 304.437 4.502 30 20 DJED CCC1(CC)CCCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1 1476707230 FCIRGLAOZUFHSD-UHFFFAOYSA-N 317.408 4.522 30 20 DJED CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)CC1 1518030602 QSJNGBHUGDGLGU-BBRMVZONSA-N 318.848 4.546 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)[C@@H](C)CCC(C)(C)C 1543963113 WKOFZKRAHAPOPB-AWEZNQCLSA-N 315.461 4.781 30 20 DJED Cc1nc(Oc2ccc(OC3CCCCC3)cc2)ccc1C#N 1559099376 OJYWADQMTYBMAM-UHFFFAOYSA-N 308.381 4.766 30 20 DJED Cc1ccc(CCC(=O)Nc2cc3ccccc3cc2C#N)s1 1597229543 NGMZVLCYUUARQJ-UHFFFAOYSA-N 320.417 4.653 30 20 DJED COc1cc(C#N)ccc1OCc1c(Cl)oc2ccccc12 1613142948 PGAHEYSWEXYHFQ-UHFFFAOYSA-N 313.740 4.545 30 20 DJED Cc1ccc(C)c([C@H](C)NCc2ccccc2C(C)(C)C#N)c1 1616943757 YZHLEQYHPUPXFF-KRWDZBQOSA-N 306.453 4.955 30 20 DJED Cc1ccc([C@@H]2CCCCN2Cc2ccc(CC#N)cc2)cc1 1641860772 LYJWMVKRZVKLQX-NRFANRHFSA-N 304.437 4.788 30 20 DJED Cc1ccc([C@@H]2C[C@@H](C)N([C@@H](C)c3cccc(C#N)c3)C2)cc1 1642921521 OPZXWHUKBAXPFL-LLGFUMIMSA-N 304.437 4.806 30 20 DJED Cc1c(C#N)c(S[C@@H]2CCc3ccc(F)cc32)nc2c1CCC2 1643545977 NFSZOJYRAVQLEF-GOSISDBHSA-N 324.424 4.669 30 20 DJED CC(C)(C)[C@H]1CCC[C@H]1Nc1ccc(C#N)c(Br)c1 1651933156 OWWXIKHRVZDPSM-DZGCQCFKSA-N 321.262 4.947 30 20 DJED Cc1ccc([C@@H]2[C@H](C)CCCN2Cc2cccc(C#N)c2F)cc1 1653438960 YOIMZLOAYDUGPM-IERDGZPVSA-N 322.427 4.979 30 20 DJED COc1ccc(CN[C@H]2CCC[C@H](C(C)(C)C)CC2)cc1C#N 1662235600 QEXPLOWQFBDVBV-ROUUACIJSA-N 314.473 4.651 30 20 DJED C[C@H]1CC(Nc2ccc(Oc3ccnc(C#N)c3)cc2)C[C@H](C)C1 1662563212 FFMVCHZZAGQTMY-HUUCEWRRSA-N 321.424 4.982 30 20 DJED CCCCCCC[C@H](CC(=O)O)NC[C@H]1CCC[C@H](CC)C1 1776783367 VEDLTHGWJQCTKQ-OKZBNKHCSA-N 311.510 4.996 30 20 DJED C[C@@H](C#N)Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 5901501 DYRAZRCBVBLXRI-ZDUSSCGKSA-N 305.406 4.748 30 20 DJED C=CCn1c(SCc2cccc(C)c2)nnc1-c1ccccc1 14067651 QQDPIRTYEPOLEG-UHFFFAOYSA-N 321.449 4.732 30 20 DJED C[C@H](C#N)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 57736951 GNTGSQXWKBKYNV-RVFSUOIPSA-N 311.768 4.527 30 20 DJED C=C(C)CN(CC)C(=O)c1cccc(OCc2cccc(C)c2)c1 71827856 DKNKGDMJMMJFID-UHFFFAOYSA-N 323.436 4.612 30 20 DJED C=CCC(CC=C)C(=O)N(Cc1ccco1)Cc1cccs1 123124891 VSLPDGUIOFKVAH-UHFFFAOYSA-N 315.438 4.638 30 20 DJED C=C[C@H](CC(=O)N1CCC[C@H]1c1cccs1)c1ccccc1 123474201 JTPXWMLHZGJJIX-WBVHZDCISA-N 311.450 4.772 30 20 DJED C=CCCC(=O)N(Cc1ccco1)Cc1cc2cc(C)ccc2o1 124150982 QRCSOAVXHJHEID-UHFFFAOYSA-N 323.392 4.829 30 20 DJED C=C[C@@H](CC(=O)N(C)[C@@H](C)c1ccc(OC)cc1)c1ccccc1 129171867 AAMAMYUXAUXGRK-IRXDYDNUSA-N 323.436 4.575 30 20 DJED CC(C)(C)c1ncc(CN[C@@H](CCC#N)c2ccccc2)s1 130486943 FYUMLGDQDHMKJK-INIZCTEOSA-N 313.470 4.575 30 20 DJED Cc1ccc(Oc2ccccc2NC(=O)NCCCCC#N)cc1 171360974 ASTZXGKTTRAGLI-UHFFFAOYSA-N 323.396 4.603 30 20 DJED COc1cc(C#N)ccc1CN[C@H](C)c1cccc2ccccc12 181661708 BRCKSZMQFYIRHY-OAHLLOKOSA-N 316.404 4.571 30 20 DJED C[C@H](N[C@H](C)C(C)(C)c1ccccc1)c1ccc(OCC#N)cc1 181677071 AMFXEEVOPTZSIA-DLBZAZTESA-N 322.452 4.606 30 20 DJED CCCCCCCCC(=O)N1C[C@@H](C)C[C@@H]1c1cccnc1 182163555 SDJNHOPIYYWLMR-FUHWJXTLSA-N 302.462 4.742 30 20 DJED COc1c(Cl)cc(Cl)cc1CNc1ccc(CC#N)cc1 183280621 DIVIZMVKRRDTTR-UHFFFAOYSA-N 321.207 4.680 30 20 DJED Cc1ccc(C)c(NC(=O)CS[C@@H](C)c2cccc(C#N)c2)c1 190883052 CLTBHFDYXHUBIP-HNNXBMFYSA-N 324.449 4.608 30 20 DJED C=C(C)[C@@H](N[C@H](C)c1cccc(O)c1)c1ccc(F)c(F)c1 194962974 RHGPESJYAQSCJB-KZULUSFZSA-N 303.352 4.638 30 20 DJED COc1ccc(/C=C\C(=O)c2cc(C)c(C)cc2C)cc1OC 213710132 KSSFHADGSUWJEN-VURMDHGXSA-N 310.393 4.525 30 20 DJED CC[C@@H](N[C@@H](c1ncccc1C)C(C)C)c1ccc(C#N)cc1 278908181 ZXQLROQYYAEJHX-RTBURBONSA-N 307.441 4.700 30 20 DJED Cc1nc(NCCCCC#N)c2cc(-c3ccccc3)sc2n1 301186480 JWNYIAZROJSNCL-UHFFFAOYSA-N 322.437 4.773 30 20 DJED O/C(=N/[C@@H]1CCCC[C@@H]1Cc1ccccc1)c1ncoc1C1CC1 328799906 HRHZSYCJWIZKJD-IAGOWNOFSA-N 324.424 4.658 30 20 DJED O/C(=N/[C@@H]1CCOC2(CCCCC2)C1)Nc1ccc(Cl)cc1 330188319 ULNNVAFZFGKAJI-OAHLLOKOSA-N 322.836 4.548 30 20 DJED CC(C)CCN(CCC#N)Cc1cccc(-c2ccncc2)c1 353415049 FEXJFHNEBZPUMH-UHFFFAOYSA-N 307.441 4.510 30 20 DJED Cc1cc(OC(C)C)ccc1N[C@H](C)c1ccc(OCC#N)cc1 391767509 BEXNKUIRQUCMIB-MRXNPFEDSA-N 324.424 4.858 30 20 DJED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(SC(C)C)cc1 436305896 IGFQJKDLDOMRBB-AYBZRNKSSA-N 319.514 4.819 30 20 DJED N#C[C@@H]1CC[C@H](NCC2(c3ccc(F)cc3Cl)CCCC2)C1 442847434 CJUNURZHBFPDHO-HIFRSBDPSA-N 320.839 4.573 30 20 DJED Cc1cccc(C)c1NC(=O)CS[C@H](C)c1cccc(C#N)c1 443157464 YYTYPSUETBKVOX-OAHLLOKOSA-N 324.449 4.608 30 20 DJED CO[C@H](c1ccccc1Cl)[C@@H](C)NCCCCC(C)(C)C#N 444674465 KWUUCMXEAMTZQJ-PBHICJAKSA-N 322.880 4.726 30 20 DJED C=C1CCN(C(=O)CCCc2cc(Cl)sc2Cl)CC1 446181904 CNSAKEDRZNDUKW-UHFFFAOYSA-N 318.269 4.556 30 20 DJED N#C[C@@H]1CCC[C@H](NC[C@H](Cc2ccccc2)c2ccccc2)C1 463237458 VTAWRVOSAHYFTL-HJNYFJLDSA-N 318.464 4.685 30 20 DJED N#Cc1ccccc1OC1CCC(N[C@H]2CCC23CCCC3)CC1 474080570 LHXUABWBNVYBDI-QLOJAFMTSA-N 324.468 4.561 30 20 DJED CCc1ccc([C@H](C)NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1 474188450 HXSZZNJJOIUGLJ-HNNXBMFYSA-N 320.436 4.541 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)/C=C/C1CCCC1 493104271 JGLSQSZMTRKJMQ-PLSXKVAHSA-N 314.454 4.766 30 20 DJED C=CCCCCCN(C)CC(=O)Nc1c(C)cccc1C(C)C 523556529 ANLFSOUAWKPZNZ-UHFFFAOYSA-N 316.489 4.735 30 20 DJED C=CCCSCc1ncc(-c2ccccc2Br)o1 525725424 QNZHYYDDLBWNCM-UHFFFAOYSA-N 324.243 4.913 30 20 DJED C=CCCC[C@@H](C)NC(=O)c1occc1-c1ccc(F)cc1 538332639 JNRBXRDCVHLLCE-CYBMUJFWSA-N 301.361 4.560 30 20 DJED CC[C@@H](C)[C@@H](NCc1ccc(C#N)o1)c1ccc(Cl)cc1 538430084 RBAFXWWMRKMJQO-SJKOYZFVSA-N 302.805 4.682 30 20 DJED C=CCN(C(=O)N[C@H](c1cccs1)C(CC)CC)C1CC1 540112164 IIFDNTGEJPIVOK-INIZCTEOSA-N 306.475 4.585 30 20 DJED Cc1ccnc(N[C@@H](c2ccccc2)c2ccc(F)cc2)c1C#N 543134407 SHNUXRFHJSJRGU-IBGZPJMESA-N 317.367 4.602 30 20 DJED CCCC(C#N)(CCC)NC(=O)CC1CC(c2ccccc2)C1 544596824 WEULPKYSUDRYKJ-UHFFFAOYSA-N 312.457 4.549 30 20 DJED C[C@H](CNC1(c2cccc(C#N)c2)CC1)c1cccc(Cl)c1 556410858 SQOCEABVOTZXSI-CQSZACIVSA-N 310.828 4.594 30 20 DJED CC(C)[C@H](CC1CCCCC1)C(=O)NCC(C)(C)CCC#N 570311340 NGCIDZYSVCZWNN-KRWDZBQOSA-N 306.494 4.675 30 20 DJED COc1cc(C#N)ccc1CNc1ccc(-c2ccco2)cc1F 575947699 IHHPZBCJKLFTAZ-UHFFFAOYSA-N 322.339 4.578 30 20 DJED C=CCC[C@@H](NC[C@H]1CCO[C@@H]1c1ccccc1)c1ccco1 580303231 MSCFDPGPGGKMMC-QWFCFKBJSA-N 311.425 4.654 30 20 DJED CC(C)n1c([C@H]2CCCN2C[C@@H](C)CCC#N)nc2ccccc21 602471820 JGAPSEZQKWAYCH-QFBILLFUSA-N 324.472 4.694 30 20 DJED N#Cc1ccccc1-c1ccc(CN2CCC[C@H]2C2CC2)cc1 609133609 LVGGTNOTFIVXPI-NRFANRHFSA-N 302.421 4.600 30 20 DJED CC[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cc(F)ccc1F 618803013 GKIYHUURGFMKFK-OALUTQOASA-N 312.363 4.565 30 20 DJED CCCOc1cc(/C=C2\Cc3c(C)cccc3C2=O)ccc1OC 729149005 CBMZNGYLCPVEBF-LFIBNONCSA-N 322.404 4.615 30 20 DJED CCCCC(CC)=NNc1ncnc2sc3c(c12)CCC3 732924301 QQGRZXBZDYZAKE-UHFFFAOYSA-N 302.447 4.548 30 20 DJED C#Cc1cccc(NC(=S)Nc2cccc(SCC)c2)c1 733754009 PWLSGLZAAWXQCE-UHFFFAOYSA-N 312.463 4.589 30 20 DJED Cc1ccc(F)c(C=NNCc2ccc(Cl)cc2Cl)c1 734978538 LQSLYZKVFFTREH-UHFFFAOYSA-N 311.187 4.565 30 20 DJED CCc1nc(C)c(C(C)=NNc2cccc(Cl)c2F)s1 735229999 VVLUEJBLDKOAJS-UHFFFAOYSA-N 311.813 4.643 30 20 DJED CC(=NNc1ccc(C(F)(F)F)cn1)[C@@H](C)c1ccccc1 746365810 CDNOTKHNERJBSD-LLVKDONJSA-N 307.319 4.692 30 20 DJED C[C@@H](C=NOCc1ccccc1)c1cccc(Br)c1 747630269 RYLLPUBNCFDCEN-ZDUSSCGKSA-N 318.214 4.755 30 20 DJED CC[C@@H](C)Oc1cc(/C=C/C(=O)c2ccc(C)o2)ccc1OC 749453318 PZWLQWNVHFQDAR-BUUCAEBMSA-N 314.381 4.670 30 20 DJED CC[C@H](C)Oc1cc(/C=C2/Cc3ccccc3C2=O)ccc1OC 749453669 UTUBZMZGDKUSDA-FMNVXAMXSA-N 322.404 4.695 30 20 DJED CCOc1cccc(C=NOc2ccccc2C(F)(F)F)c1 754712695 PSBDYWDVSFIRCA-UHFFFAOYSA-N 309.287 4.517 30 20 DJED O=C1/C(=C\c2ccc(Cl)nc2Cl)CSc2ccccc21 761479988 YWTUASAOVHKVNP-YFHOEESVSA-N 322.216 4.760 30 20 DJED CCOc1ccc(OCCSCCCC(C)(C)C#N)cc1 764637584 GJOVTYJBQOYLGJ-UHFFFAOYSA-N 307.459 4.527 30 20 DJED C[C@H](CCc1ccccc1F)C(=O)OCCCCC(C)(C)C#N 768736878 BQVKZSALKLWMOI-OAHLLOKOSA-N 319.420 4.658 30 20 DJED O=C(/C=C/c1ccc(-c2c(F)cccc2F)o1)c1ccco1 769783385 DKQHBXLKHPVSQT-SOFGYWHQSA-N 300.260 4.714 30 20 DJED FC(F)(F)CON=CCCCc1cccc(C(F)(F)F)c1 769794928 ZCTCMSVVGGAMQL-UHFFFAOYSA-N 313.241 4.593 30 20 DJED O=C(/C=C\c1nc2c(s1)CCCC2)c1ccccc1Cl 776262200 CKHGXCFBQHKTNV-KTKRTIGZSA-N 303.814 4.571 30 20 DJED O=C(/C=C\c1ccc(F)nc1)c1ccc(-c2cccs2)cc1 777468902 ZXYJOOZSYHYKRO-OQFOIZHKSA-N 309.365 4.845 30 20 DJED CC/C(=C\C(=O)NCC(C)(C)CCC#N)c1cccc(Cl)c1 805280176 BNJFHIUIVDDVHU-WYMLVPIESA-N 318.848 4.580 30 20 DJED C=CCCCCCCCNC(=O)N(CC)[C@H]1CCOC(C)(C)C1 812493497 LRHYSXDSUHSQSP-KRWDZBQOSA-N 324.509 4.502 30 20 DJED CCCCCCCCC(=O)N1CC2(CCC2)[C@H]1C1CCOCC1 819757484 YLLDYFPHAHXZKS-LJQANCHMSA-N 321.505 4.545 30 20 DJED C[C@H](N[C@@H]1CCc2ccc(Cl)cc21)c1ccc(C#N)c(F)c1 858581922 KEVULXDYXDZARH-BBATYDOGSA-N 314.791 4.689 30 20 DJED CC(CCc1c[nH]c2ccccc12)=NNC1CCC(F)(F)CC1 901341034 TUCUUYLUBVVGOG-UHFFFAOYSA-N 319.399 4.644 30 20 DJED Cc1cc(-c2ccccc2)ccc1NC(=O)C1(C#N)CCCC1 914733066 LVKZZEQTOBFZPA-UHFFFAOYSA-N 304.393 4.685 30 20 DJED C[C@@H]1CCc2c(sc(NC(=O)C=C3CCCCC3)c2C#N)C1 919978056 VEHWFJVZODVIPW-GFCCVEGCSA-N 314.454 4.574 30 20 DJED CC(C)OCc1ccc(N=Cc2cc(Cl)ccc2O)cc1 920177250 DVOBDCCIEXKDRN-UHFFFAOYSA-N 303.789 4.721 30 20 DJED C[C@H](CC(=O)Nc1sc2c(c1C#N)CCCCCC2)C1CC1 920814768 MQXWLHMXSHHVPO-GFCCVEGCSA-N 316.470 4.653 30 20 DJED CCCC[C@H](C(=O)Nc1cc(C#N)ccc1OC(C)C)C(C)C 1125397965 BFEMWMVYQZVYDS-INIZCTEOSA-N 316.445 4.746 30 20 DJED CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)CC1 1128211500 QODKMEFNZAIWIR-XJKSGUPXSA-N 318.848 4.546 30 20 DJED CCCCN(C(=O)c1ccc(C)c(C#N)c1)[C@@H]1CCC[C@@H](C)C1 1129306364 YQMZSLXXUJAPGC-DNVCBOLYSA-N 312.457 4.688 30 20 DJED C[C@H](C1CCCCC1)N(C)Cc1ccc(C#N)cc1OC(F)F 1169723749 GPTNHWCEGCUKCW-CYBMUJFWSA-N 322.399 4.560 30 20 DJED N#Cc1ccc(CNC2CCC3(CCCCC3)CC2)cc1F 1180905105 CHPBBSFXIHMOKD-UHFFFAOYSA-N 300.421 4.680 30 20 DJED N#Cc1ccccc1OCc1ccc(Br)c(Cl)c1 1188317708 UNHNMNHMZBVPIW-UHFFFAOYSA-N 322.589 4.553 30 20 DJED CC(C)CN(C(=O)C[C@@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 1264412469 FUDHFUFSAWXGTC-WMZOPIPTSA-N 312.457 4.764 30 20 DJED CCC1(CNc2nccc(Oc3cccc(C#N)c3)n2)CCCC1 1307000295 DIPXKRQIEVTZOI-UHFFFAOYSA-N 322.412 4.523 30 20 DJED N#Cc1ccc(-c2nnc(-c3cc(Cl)ccc3Cl)o2)cc1 1322502245 SAJLNAWKIOTTLS-UHFFFAOYSA-N 316.147 4.582 30 20 DJED CCC[C@@H](CC)C(=O)Nc1ccccc1S[C@H](C)CC#N 1435129784 CPQCPOHTHWFQPB-ZIAGYGMSSA-N 304.459 4.846 30 20 DJED CC(C)[C@H]1CCc2c(sc(NC(=O)[C@@H](C)C(C)C)c2C#N)C1 1436522742 GIYFOQANNOEBQJ-STQMWFEESA-N 318.486 4.611 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCC[C@H]1C1CCCCC1 1459311649 KNGRJOKDQZBRJD-SFHVURJKSA-N 302.849 4.756 30 20 DJED N#Cc1ccc(CN2CC3(CCCC3)c3ccccc32)c(F)c1 1462077369 WTLXYJNFPSATAJ-UHFFFAOYSA-N 306.384 4.529 30 20 DJED Cc1cc(C#N)ccc1CN1C[C@H](C)CC[C@H]1c1ccccc1 1473465108 PJLZJQFZXLBKSC-IERDGZPVSA-N 304.437 4.840 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccc2occc2c1 1474362575 MODGSIWCEKCMRV-UHFFFAOYSA-N 318.420 4.963 30 20 DJED Cc1cc(CN(C)Cc2ccc(C(C)(C)C)cc2)ccc1C#N 1474410355 QRJSNBOPBTZGRN-UHFFFAOYSA-N 306.453 4.796 30 20 DJED CCCCN(C(=O)c1cc(C#N)ccc1F)[C@@H]1CCC[C@H](C)C1 1527352107 RMKJSGJWRJBGFS-GOEBONIOSA-N 316.420 4.518 30 20 DJED C=C(CNC(=O)c1ccc(Cl)c2occc12)c1ccccc1 1527981951 XJIOVKAECCSRNJ-UHFFFAOYSA-N 311.768 4.529 30 20 DJED CCN(C(=O)C[C@H](CC#N)c1ccccc1)c1ccc(F)c(C)c1 1537535436 CAIIDIGDGJLCEM-KRWDZBQOSA-N 324.399 4.575 30 20 DJED CC(C)[C@@H]1C[C@@H](OC(=O)Cc2cccc(C#N)c2)c2ccccc21 1586469138 WVHGZFMSOXPLNC-VQTJNVASSA-N 319.404 4.529 30 20 DJED C=C(Br)CN(C)c1ccc(Oc2ccccc2)cc1 1616274400 CXKXQQHSGUHTGY-UHFFFAOYSA-N 318.214 4.824 30 20 DJED C[C@H](N[C@H](C)CCC#N)c1ccc(Oc2ccccc2)c(F)c1 1616691959 RZVQDYNMTZFMFF-CABCVRRESA-N 312.388 4.961 30 20 DJED Cc1ccc(C(=O)N(c2ccccc2C#N)C2CCC2)cc1Cl 1617589065 XRMAZOTVZOCWTP-UHFFFAOYSA-N 324.811 4.719 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCC[C@@H]1c1ccccc1 1621396840 UNXMDFIAVLOSML-HJNYFJLDSA-N 316.448 4.862 30 20 DJED N#Cc1ccc(CSc2cccc(Br)c2)s1 1640903582 BOXMNLOXBJDJHS-UHFFFAOYSA-N 310.241 4.675 30 20 DJED CCN(CCC(C#N)(c1ccccc1)c1ccccc1)C1CCC1 1641842076 HPMNQXRVZOQJLA-UHFFFAOYSA-N 318.464 4.761 30 20 DJED CCCc1ccc(-c2ccc(Nc3nccnc3C#N)cc2)cc1 1650775258 WOQJBVYFPCVRFC-UHFFFAOYSA-N 314.392 4.711 30 20 DJED N#Cc1cccc(C#N)c1N[C@@H]1C[C@H]1c1cccc2ccccc12 1651015538 VUJHFXCHNFZPIK-VQTJNVASSA-N 309.372 4.551 30 20 DJED Cc1ccccc1[C@H](Nc1cc(C#N)cnn1)[C@H]1CCC[C@@H](C)C1 1651508534 OSXFJHVBSAOXPC-CFLQYTFWSA-N 320.440 4.636 30 20 DJED CCN(CCC1(C#N)CCCCC1)[C@H](C)c1cccc(OC)c1 1652329764 SPPZUMDCXWIIDJ-QGZVFWFLSA-N 314.473 4.942 30 20 DJED CC(C)(CCCc1ccccc1)CNCc1ccc(C#N)cc1F 1656516529 JKJKSAIFIDBFSG-UHFFFAOYSA-N 324.443 4.836 30 20 DJED CCC(CC)CN(CCC#N)Cc1cc2cc(OC)ccc2o1 1658954533 ACJMUHHFBZXVJM-UHFFFAOYSA-N 314.429 4.593 30 20 DJED CN(Cc1cccc(F)c1C#N)[C@@H]1CCCC[C@H]1c1ccccc1 1660031968 CWIDBPQPMVZYCJ-GHTZIAJQSA-N 322.427 4.856 30 20 DJED CC(C)(CCC#N)CN[C@H]1CCCc2cc(OC(F)F)ccc21 174324088 SHZMIEZZVQBJIK-INIZCTEOSA-N 322.399 4.585 30 20 DJED C[C@H](c1ccccc1Cl)N(C)Cc1cc(F)ccc1C#N 229957931 JRNYTBQLWIBBNI-GFCCVEGCSA-N 302.780 4.544 30 20 DJED C=C(C)[C@H](N[C@@H](C)c1cnccc1C)c1ccc(F)c(F)c1 274724266 AEAJNWAVNNETPX-UGSOOPFHSA-N 302.368 4.636 30 20 DJED Cc1nc(NCCCCC#N)c2c(-c3ccccc3)csc2n1 301206716 RYDMIKQHRSDBMB-UHFFFAOYSA-N 322.437 4.773 30 20 DJED Cc1ccc(N/C(O)=N/[C@@H]2CCO[C@H](CC(C)C)C2)c(Cl)c1 330691536 GUBMSZJLVUNNHX-ZIAGYGMSSA-N 324.852 4.568 30 20 DJED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1nccc2ccccc12 353255743 OBSFNZHGOZZBFA-UZLBHIALSA-N 315.420 4.930 30 20 DJED Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 424573639 ISWBISLBMVSJND-RBUKOAKNSA-N 318.420 4.538 30 20 DJED CC#CCCCC(=O)Nc1ccc(OCc2ccccc2)cc1C 466638840 BVGUGFHLRZGDSX-UHFFFAOYSA-N 321.420 4.706 30 20 DJED N#Cc1ccc(C(=O)Nc2cccc(-c3cccs3)c2)s1 487724685 PJTPCZMCFYPTDZ-UHFFFAOYSA-N 310.403 4.601 30 20 DJED Cc1cc(CN[C@@H](C)c2cccc3ccccc23)ccc1C#N 488113321 JCHKJNHBPNZERE-INIZCTEOSA-N 300.405 4.871 30 20 DJED C=CCN(CCc1ccco1)C(=O)Nc1ccc(Cl)cc1C 491365636 FGSKNZFEBLXURE-UHFFFAOYSA-N 318.804 4.504 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)/C=C\C1CCCC1 493104270 JGLSQSZMTRKJMQ-IWMPZKFUSA-N 314.454 4.766 30 20 DJED CSc1ccccc1[C@@H](C)NCc1ccc(Cl)cc1C#N 501489152 FDPNHUAVGGCJRB-GFCCVEGCSA-N 316.857 4.784 30 20 DJED Cc1cc(Cl)c(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1C 510378692 PDWDFTJUYOOIRI-UHFFFAOYSA-N 319.191 4.734 30 20 DJED CC(C)Oc1ccc([C@@H](C)Nc2ncc(C#N)cc2Cl)cc1 524432825 HNJVSFCRCDNZON-GFCCVEGCSA-N 315.804 4.567 30 20 DJED C=CCCOCCCCC(=O)N(C)[C@@H](C)c1ccccc1Cl 539367457 FLAKSWIREJLYPX-HNNXBMFYSA-N 323.864 4.622 30 20 DJED C[C@@H](N[C@@H](CC(F)(F)F)c1ccccc1)c1cccc(C#N)c1 540596524 OYIQRGYSDXUYNS-DYVFJYSZSA-N 318.342 4.903 30 20 DJED N#CCc1ccc(CSCc2ccccc2OC(F)F)cc1 543151249 FPNOHBCQQOCFHK-UHFFFAOYSA-N 319.376 4.787 30 20 DJED C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)c1cccnc1 543862491 VPMFYBDUNACVEG-SNVBAGLBSA-N 308.328 4.825 30 20 DJED Cc1nc(C(C)C)ccc1CN(Cc1ccc(C#N)cc1)C(C)C 549398924 XTJCIGXSTTVUDO-UHFFFAOYSA-N 321.468 4.796 30 20 DJED CCCN(Cc1ccc(C#N)cc1)[C@@H](C)c1ccc(F)cc1F 561816901 QPDPJGJYHTWTSQ-AWEZNQCLSA-N 314.379 4.810 30 20 DJED N#Cc1ccc2c(c1)[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)CC2 583722587 FIZRSPFRLGUFQX-SFTDATJTSA-N 320.411 4.816 30 20 DJED C=C(C)COc1cccc(NC(=O)c2oc3ccccc3c2C)c1 589384765 MNZYVIOOVFOSQC-UHFFFAOYSA-N 321.376 4.948 30 20 DJED N#CC[C@H]1CCCN(c2ccc3c(Cl)ccc(Cl)c3n2)C1 596329962 OBWKROAZCQQNOX-LLVKDONJSA-N 320.223 4.672 30 20 DJED CCC(C)(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609064516 BOHQGJXHPXPBII-UHFFFAOYSA-N 322.408 4.512 30 20 DJED CC(C)C(C)(C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 609712973 UUMZRZMBYDOQEN-ZDUSSCGKSA-N 319.474 4.637 30 20 DJED N#Cc1ccc(CSc2cccs2)c(Br)c1 611491977 OQOCDYNUPLJDLK-UHFFFAOYSA-N 310.241 4.675 30 20 DJED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)c(F)c1 618807122 UYKWDGOBFUHBLJ-ADLMAVQZSA-N 314.791 4.689 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(F)ccc1C 685781695 MRQHDZSZGWOBMM-UHFFFAOYSA-N 323.820 4.677 30 20 DJED C[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)Cc2ccccc21 731478390 FPIAMRUVWXWCKZ-LBPRGKRZSA-N 316.326 4.701 30 20 DJED CCCCCCCC(=O)Nc1ccc(F)cc1OC(F)F 742007024 WCQOAGJDEUSYSM-UHFFFAOYSA-N 303.324 4.726 30 20 DJED CC(=NNc1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 745193278 LRTOQMLMQADNQP-UHFFFAOYSA-N 305.356 4.724 30 20 DJED CC(CCc1ccc(C)cc1)=NNc1oc(C(C)(C)C)nc1C#N 746498591 XDAQYHYIYDSLAZ-UHFFFAOYSA-N 324.428 4.573 30 20 DJED C[C@H](OC(=O)c1ccc(-c2ccccc2Cl)o1)C(C)(C)C#N 753621074 RTXBBQJRPCKUIE-NSHDSACASA-N 317.772 4.695 30 20 DJED C=CC[C@@H](N[C@H]1CCSc2ccc(F)cc21)c1ccncc1 766023670 WNMIRZDIBRJXRY-SJORKVTESA-N 314.429 4.665 30 20 DJED CC(C)[C@H]1C[C@H](NCc2cc(C#N)ccc2F)c2ccccc21 774253442 PCWVSKHWSZDZEV-QUCCMNQESA-N 308.400 4.672 30 20 DJED C#CC[C@H](NC(=O)Nc1cc(SC)ccc1C)c1ccccc1 776030500 VLGXTPRPXKLSNJ-KRWDZBQOSA-N 324.449 4.603 30 20 DJED Cc1cc2ccccc2nc1NN=C1CCC2(CCOCC2)CC1 776782864 MCPQCFQDXHBEGC-UHFFFAOYSA-N 323.440 4.682 30 20 DJED O=C(/C=C\c1ccc(Cl)nc1Cl)c1cccc(Cl)c1 779357121 ALGYNNGMQQBMJT-XQRVVYSFSA-N 312.583 4.938 30 20 DJED Cn1cc(/C=C/C(=O)c2ccc(F)cc2)c(C2CCCCC2)n1 783697894 TUTBODWTIMZKQB-FMIVXFBMSA-N 312.388 4.503 30 20 DJED COc1ccc(NN=C2CCC[C@H]2CCF)c(C(F)(F)F)c1 793112492 TWSARLOGOXCZKE-JTQLQIEISA-N 318.314 4.642 30 20 DJED C#CCCCC(=O)N(C)[C@@H](c1ccc(Cl)cc1)C1CCCC1 798543163 PSMQXLDGPPGPRG-LJQANCHMSA-N 317.860 4.833 30 20 DJED CC(C)(C)Sc1ccc(NC(=O)CCCCCC#N)cc1 805177002 SHNIPQDGWYTONQ-UHFFFAOYSA-N 304.459 4.990 30 20 DJED C#CC[C@H](NC1CC(c2cc(F)cc(F)c2)C1)c1ccccc1 809629276 KHIOTZLDKPIKAV-GQOXECLESA-N 311.375 4.565 30 20 DJED CCOc1cc(/C=C\C(=O)c2ccc(Cl)cc2)ccc1OC 916135169 CTOLUTRHLYJADE-WMZJFQQLSA-N 316.784 4.643 30 20 DJED CCOc1ccc(N=Cc2c(O)ccc3ccccc23)cc1F 917558733 WWRKHPUWPAXAPL-UHFFFAOYSA-N 309.340 4.834 30 20 DJED C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(C#N)cc1Cl 1198020836 WPAVPVPXOCCLGO-QRWLVFNGSA-N 324.855 4.980 30 20 DJED CCC[C@@H](C(=O)N(Cc1ccc(C#N)cc1)CC(C)C)C(C)C 1264439948 NSYGYTCNGQRNNR-LJQANCHMSA-N 314.473 4.615 30 20 DJED C[C@H]1C[C@H](C)N(CCC(C#N)(c2ccccc2)c2ccccc2)C1 1307489104 IDGXUIPYUYNSEI-OALUTQOASA-N 318.464 4.617 30 20 DJED Fc1ccc(CNN=Cc2ccccc2-c2ccccc2)cc1 1323962054 JWOHMLGKVWXDAU-UHFFFAOYSA-N 304.368 4.616 30 20 DJED CC(C)Cc1ccc([C@H](Nc2ccc(C#N)cn2)C(C)C)cc1 1458067222 FJWWMEGUFFMPPT-HXUWFJFHSA-N 307.441 4.961 30 20 DJED CSC[C@@H]1CCCN1Cc1ccc(-c2ccccc2C#N)cc1 1459766458 JZDNCGWCDLXCGK-IBGZPJMESA-N 322.477 4.553 30 20 DJED Cc1oc2ccccc2c1CN(C)[C@H](C)c1cccc(C#N)c1 1474591676 ORCWZUYRJKERRG-CQSZACIVSA-N 304.393 4.806 30 20 DJED Cc1cccc(CCNc2c(C#N)cnc3c(Cl)cccc23)c1 1559091600 FMACKEWQWNVYSU-UHFFFAOYSA-N 321.811 4.723 30 20 DJED N#Cc1cc(C(=O)Nc2ccc(C3CCC3)cc2)ccc1Cl 1586291677 PGQNMUJILBWZDC-UHFFFAOYSA-N 310.784 4.731 30 20 DJED CC(C)(CC(=O)Nc1cc(C#N)c(F)cc1F)C1CCCCC1 1597373594 OQDXXXNTYVRAAV-UHFFFAOYSA-N 320.383 4.772 30 20 DJED Cc1cc(N(C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)ncc1C#N 1612087474 UVIJRGWWILWKJL-UONOGXRCSA-N 313.832 4.544 30 20 DJED CCCC[C@@H](NCc1cc(Cl)ccc1OCC#N)C1CCC1 1642667612 IMMHTWLBBIQFTE-QGZVFWFLSA-N 320.864 4.691 30 20 DJED C[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)[C@H]1CCC[C@@H](C)C1 1667925824 BQYUOFMRCUFJJH-DYEKYZERSA-N 319.836 4.548 30 20 DJED N#Cc1ccc(OCc2csc(-c3ccco3)n2)c(Cl)c1 25623274 RIZLFRLKRVNYHU-UHFFFAOYSA-N 316.769 4.507 30 20 DJED C[C@H](N[C@H](CCC#N)c1ccccc1)c1cc(F)ccc1F 90665587 QHUWTLOZQHLLTE-SCLBCKFNSA-N 300.352 4.660 30 20 DJED C=CCCC(=O)Nc1ccccc1-c1nc2ccccc2s1 102219967 QVXHNTDAROJWLR-UHFFFAOYSA-N 308.406 4.868 30 20 DJED N#Cc1cccc(CN[C@@H]2CCc3c2ccc(Cl)c3Cl)c1 113346063 ZNHOOMAGNQQFRC-MRXNPFEDSA-N 317.219 4.642 30 20 DJED Cc1cc(Cl)c(NC(=O)C2(C#N)CCCCC2)cc1Cl 157662275 JZLCKLMNMYSUPD-UHFFFAOYSA-N 311.212 4.714 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccc(OCC(F)F)cc2)s1 303879913 IWAPRZXPQLPUDM-VMPITWQZSA-N 308.349 4.597 30 20 DJED OC(=Nc1cccc2ocnc12)[C@@H]1CCC[C@H](C(F)(F)F)C1 328920909 TUJYZDNLHNFHGO-ZJUUUORDSA-N 312.291 4.785 30 20 DJED C[C@@H](c1ccc(Oc2ccccc2)cc1)[S@](=O)CCCC#N 417175558 BDSUUDIMQYNSOH-OYHNWAKOSA-N 313.422 4.592 30 20 DJED N#CCCCOc1cccc(CNc2ccc(Cl)c(F)c2)c1 433313942 XRYFZGVBIWUYRD-UHFFFAOYSA-N 318.779 4.774 30 20 DJED C=CC[C@H]1N(C(=O)Nc2ccc(F)cc2F)CCCC1(C)C 436110545 SOSSRRUMSKSVMI-OAHLLOKOSA-N 308.372 4.563 30 20 DJED Cc1ccccc1COc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 442854345 KTNZVVWJYJBNIE-QFBILLFUSA-N 306.409 4.678 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@H](Cc2ccccc2)c2ccccc2F)C1 463237132 KFKBCVWRKZWVNS-LVCYWYKZSA-N 322.427 4.781 30 20 DJED CC(C)(CN[C@H]1CCC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 463280969 FMJKCHHBMWQCPM-BBRMVZONSA-N 324.390 4.655 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cc(Cl)cs1 494942461 XLJKYAKGPJRKQL-SJORKVTESA-N 316.857 4.673 30 20 DJED N#Cc1ccc2c(c1)[C@H](NC[C@H]1CCCC[C@H]1C(F)(F)F)CC2 517910740 NCFKCEJEJLUYOC-DJIMGWMZSA-N 322.374 4.504 30 20 DJED C=C(C)[C@H](NC1CCC2(CCCO2)CC1)c1ccc(F)c(F)c1 519817335 QULWLGTUXDAAOI-OBONGRFPSA-N 321.411 4.663 30 20 DJED N#Cc1cc(NC(=O)c2sccc2-c2ccccc2)ccc1F 524499729 FMDSZVNTQLNBIP-UHFFFAOYSA-N 322.364 4.678 30 20 DJED C=CCOc1cccc(NC(=O)[C@H](C)c2cccc(Cl)c2)c1 525141584 MDUOZUMYFRDBOX-CYBMUJFWSA-N 315.800 4.647 30 20 DJED C=C[C@H](CC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1 536084080 SAHCDLNQHXYFOS-CYBMUJFWSA-N 317.335 4.586 30 20 DJED C=CCN(C(=O)c1cc(C)c(-c2ccc(F)cc2)s1)C1CC1 536819976 FWMBNNGUBHQECX-UHFFFAOYSA-N 315.413 4.653 30 20 DJED Cc1cc(CN[C@H](C)c2ccc(C#N)cc2)c2[nH]c(C)c(C)c2c1 537295795 PJBVUMFRAPASMX-MRXNPFEDSA-N 317.436 4.816 30 20 DJED C[C@H](NCc1ccc2ccccc2c1)c1ccc(C#N)c(F)c1 539606365 BSGVCKUXBPQLSF-AWEZNQCLSA-N 304.368 4.701 30 20 DJED C=CCN(C(=O)Nc1ccccc1Oc1ccccc1)C1CC1 540065721 SWHUYWQVBHCKDD-UHFFFAOYSA-N 308.381 4.661 30 20 DJED N#CCc1ccc(CSCc2ccc(OC(F)F)cc2)cc1 543151321 OJZBBEKWLSAJLM-UHFFFAOYSA-N 319.376 4.787 30 20 DJED C[C@H](N[C@H]1CCCc2c(Cl)cccc21)c1ccc(C#N)cc1 543602136 GRCFCZKRSJWTIA-DJJJIMSYSA-N 310.828 4.940 30 20 DJED Cc1ccc([C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C2CC2)cc1 554137495 PHHPQTPYKSGJKD-VBKZILBWSA-N 308.400 4.808 30 20 DJED C=CCOc1ccc(CN[C@@H]2CCc3sc(Cl)cc32)cc1 582436195 BMXHRHOXUKYOQS-OAHLLOKOSA-N 319.857 4.743 30 20 DJED N#CCCCCCC(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 591095770 IBGZMNITSOMBTJ-RDJZCZTQSA-N 318.848 4.566 30 20 DJED CCC(C)(C)OCc1cccc(NCC2(CC#N)CC2)c1C 594703823 YOZWIAZNAXWATO-UHFFFAOYSA-N 300.446 4.806 30 20 DJED CCCCOc1ccc([C@@H](C)Nc2ccc(C#N)cc2)cc1OC 603867167 YJJVZNRPPCMRMY-OAHLLOKOSA-N 324.424 4.919 30 20 DJED Cc1c(Br)cccc1N[C@@H](C#N)C1CCCCC1 609676923 GFXAPYRYCPTVHS-HNNXBMFYSA-N 307.235 4.642 30 20 DJED CCc1ccc([C@@H](C)NCc2ccccc2C(C)(C)C#N)cc1 610859122 BTZCWHHWPZGUCQ-MRXNPFEDSA-N 306.453 4.901 30 20 DJED C=CCC[C@@H](NC(=O)N1CCC2(CCC2)CC1)c1ccccc1 672470912 YFKMUQUQJKRRHG-GOSISDBHSA-N 312.457 4.670 30 20 DJED C=C(C)CN(C)C(=O)c1sc2cccc(Cl)c2c1Cl 679204457 HFQJQSCTDOJEQD-UHFFFAOYSA-N 314.237 4.856 30 20 DJED C#Cc1cccc(N(Cc2ccco2)C(=O)CCCCCC)c1 728182383 NGAVNIILEXMLBM-UHFFFAOYSA-N 309.409 4.765 30 20 DJED C=CCN(CC=C)C(=S)Nc1c(Cl)ccc(C)c1Cl 728443108 RNPWJZHQDCDZFD-UHFFFAOYSA-N 315.269 4.673 30 20 DJED Cc1cc(/C=C/C(=O)c2cnn(-c3ccccc3)c2C)ccc1F 729149444 HSPAFCSDNXGFRI-PKNBQFBNSA-N 320.367 4.524 30 20 DJED Cc1c(Cl)cccc1N=C1SCCN1C(=O)[C@H](C)C(C)C 733088997 WMHDBYDMZLOVDE-LLVKDONJSA-N 324.877 4.503 30 20 DJED C=CCc1cc(/C=C/C(=O)c2cccc(C)c2C)cc(OC)c1O 734305012 DUPVEDKRKDSPBI-ZHACJKMWSA-N 322.404 4.642 30 20 DJED Clc1ccc(C(Cc2ccccn2)=NNc2ccccc2)cc1 745193539 YGFPMXVBXBHDQT-UHFFFAOYSA-N 321.811 4.794 30 20 DJED CCc1ccc(C=NOCc2csc(C3CCCC3)n2)cc1 746353257 VHVYBASYUOQYJJ-UHFFFAOYSA-N 314.454 4.914 30 20 DJED C[C@@H](OC(=O)c1[nH]c2ccccc2c1Cl)c1ccc(C#N)cc1 749063075 VSKLMSHZQUAXLW-LLVKDONJSA-N 324.767 4.611 30 20 DJED Cc1cnc([C@@H](C)C/N=C\c2c(O)ccc3ccccc23)s1 753993546 GTBAXRSRBVJNDR-XHEYCZLTSA-N 310.422 4.533 30 20 DJED COc1ccc(-c2ccccc2)cc1/C=C/C(=O)c1cccnc1 756782296 BERHGFMDFKZBHV-PKNBQFBNSA-N 315.372 4.653 30 20 DJED O=C1/C(=C/c2ccc3ncccc3c2)[C@@H]2CCCc3cccc1c32 763291363 XJOJIYQRNSLRJS-AMRJIULGSA-N 311.384 4.935 30 20 DJED C#CCC(C)(C)c1nc(C(c2ccccc2)c2ccccc2)no1 767421714 UJAUBEHLDDIOFE-UHFFFAOYSA-N 316.404 4.551 30 20 DJED C[C@H](CSc1ccccc1)C(=O)OCCCCC(C)(C)C#N 768696402 JOYPYWRIUUUXID-OAHLLOKOSA-N 319.470 4.678 30 20 DJED CC(C)(CCC#N)CNc1ccc2c(c1)OC1(CCCCC1)O2 770512820 PPNWTMRANKULSC-UHFFFAOYSA-N 314.429 4.860 30 20 DJED c1ccc(C(CC2CCC2)=NNc2nncc3ccccc23)cc1 776182590 BCUPLPHBAOUHKT-UHFFFAOYSA-N 316.408 4.636 30 20 DJED CC(C)Sc1cccc(Cl)c1/C=C\C(=O)c1cnccn1 782325504 MJKJUQPWDGVZKI-SREVYHEPSA-N 318.829 4.527 30 20 DJED N#C[C@@H](OC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)C1CCCCC1 787140346 VDENERMDGMWBOX-JHJVBQTASA-N 323.845 4.521 30 20 DJED C#CCC1(C(=O)Nc2ccc(-c3cnc(C)o3)cc2)CCCCC1 788431168 RFNPKNRMHUAMOY-UHFFFAOYSA-N 322.408 4.562 30 20 DJED C/C(=C\C(=O)Nc1scc(C)c1C#N)c1ccccc1Cl 809005200 FBUFHCXQEVGQQQ-JXMROGBWSA-N 316.813 4.624 30 20 DJED O=C1/C(=C\c2ccc(Cl)c(Cl)c2)Cc2c(O)cccc21 810248914 JERMAWAYJKJEFQ-POHAHGRESA-N 305.160 4.521 30 20 DJED C=C[C@@H](CC(=O)OCc1oc(C(C)C)nc1C)c1ccccc1 813227546 ISSYMLCWOXQJLS-HNNXBMFYSA-N 313.397 4.510 30 20 DJED CC(C)=CCC[C@@H](C)CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842943079 PGGCYXULAMFYJS-UKRRQHHQSA-N 316.470 4.969 30 20 DJED CC(C)[C@@H](Nc1cccc(OCCCC#N)c1)c1ccccn1 866317278 WUUHPUUBWFLSME-LJQANCHMSA-N 309.413 4.573 30 20 DJED CC(=NNc1ccc(Cl)cc1Cl)c1cccc(C#N)c1 915953333 KJRKKFQAEIVUHF-UHFFFAOYSA-N 304.180 4.701 30 20 DJED Cc1ccc(/C=C/C(=O)c2ccc(Br)s2)cc1 916134790 ZEQVSUCQMZKTOJ-VOTSOKGWSA-N 307.212 4.715 30 20 DJED CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1cccnc1 916248518 HINDIMWKWFFVDU-UHFFFAOYSA-N 314.603 4.878 30 20 DJED CC[C@H](OC(=O)CC(C)(C)C#N)c1c(Cl)cccc1Cl 1126905296 MPYCFIBUSZLVTF-LBPRGKRZSA-N 314.212 4.928 30 20 DJED N#Cc1ccc(C2CCN(Cc3cc4ccccc4o3)CC2)cc1 1139064131 QBBRHVRZPACKLG-UHFFFAOYSA-N 316.404 4.684 30 20 DJED C=C(Br)CN1CC2(CCCC2)[C@@H]1c1ccccc1 1170906966 VTBCQPPQBNXCJH-HNNXBMFYSA-N 306.247 4.512 30 20 DJED Cc1cc(CN(C)Cc2c(Cl)cccc2Cl)ccc1C#N 1179909199 HFGPJMLLJKGEIA-UHFFFAOYSA-N 319.235 4.806 30 20 DJED CC(C)(C#N)CNCc1c(Cl)cccc1Oc1ccccc1 1204011926 MDNGCQNHDQTLMN-UHFFFAOYSA-N 314.816 4.772 30 20 DJED CC1CCC(C)(CNC(=O)Nc2ccc(C#N)cc2Cl)CC1 1215838022 JGCHMBVQNVWXJG-UHFFFAOYSA-N 319.836 4.550 30 20 DJED CC(C)(C)c1ccc([C@@H]2CCCN2Cc2cccc(C#N)n2)cc1 1308605935 OCKTUQCYOXFOIS-FQEVSTJZSA-N 319.452 4.588 30 20 DJED CN(C(=O)Nc1cc(C#N)ccc1F)c1cccc2ccccc12 1310852906 WBSVMXKWKDRNIB-UHFFFAOYSA-N 319.339 4.519 30 20 DJED Cc1cc(C)c2nc(N[C@H](C)c3cccc(C#N)c3)sc2c1 1458601090 YLRSXHSQDNOMNQ-CYBMUJFWSA-N 307.422 4.958 30 20 DJED CC(C)(C)CN(CC(C)(C)C)C(=O)Nc1sccc1C#N 1466994570 ICQSJQHOLQAIMF-UHFFFAOYSA-N 307.463 4.546 30 20 DJED CN(Cc1ccc(C(C)(C)C)cc1)c1nc(C#N)c(Cl)s1 1472638025 AKFUSOZTHSYWRT-UHFFFAOYSA-N 319.861 4.602 30 20 DJED CCc1c(C(=O)Nc2ccc(C#N)cc2Cl)oc2ccccc12 1517073956 XXGYVJRQNNDVPS-UHFFFAOYSA-N 324.767 4.773 30 20 DJED Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)c1cccc(C#N)c1 1521237340 ZCWVSHNDSCMHAH-KRWDZBQOSA-N 320.436 4.726 30 20 DJED CC(C)[C@@H](CCc1ccccc1)C(=O)Nc1ccc(C#N)c(F)c1 1535016549 WXYZRDZQNQRSKC-GOSISDBHSA-N 324.399 4.541 30 20 DJED N#Cc1ccccc1N(C(=O)C1[C@H]2CCCCCC[C@H]12)C1CCC1 1586218136 UGXRXBCBGIQZCI-ROUUACIJSA-N 322.452 4.660 30 20 DJED CC(C)c1cccc(C(=O)Nc2cc(C#N)ccc2NC2CC2)c1 1634993667 VHCUQDUHRWHWHT-UHFFFAOYSA-N 319.408 4.508 30 20 DJED CC(C)[C@H](CNc1snc(Cl)c1C#N)Cc1ccccc1 1639804140 OHRHZVKHLNQOFO-ZDUSSCGKSA-N 319.861 4.595 30 20 DJED CC[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(F)c(C#N)c1 1644702065 UCUMBMFISACYPT-CTNGQTDRSA-N 322.427 4.856 30 20 DJED Cc1ccnc(N[C@H](CC(C)(C)C)c2ccc(F)cc2)c1C#N 1650638927 NDGAEIYRTKTYJS-QGZVFWFLSA-N 311.404 4.990 30 20 DJED Cc1ccc(C#N)c(N[C@H](C)Cc2ccc(Cl)cc2Cl)n1 1650713512 RJYGISFPNWWMKP-LLVKDONJSA-N 320.223 4.612 30 20 DJED Cc1ccc(CSc2nc3c(cc2C#N)CCCC3)c(C)c1 1651743355 VSRFHJNGBCUABQ-UHFFFAOYSA-N 308.450 4.741 30 20 DJED CC[C@H](CO)N(CCC(C)(C)C#N)C1CCC(C(C)(C)C)CC1 1659566748 IBOOZXDKXBSNSX-LXPRWKDFSA-N 322.537 4.604 30 20 DJED C[C@H](NCCc1ccc2ccccc2c1)c1cccc(C#N)c1 1660106259 AZRBVKZUZOCTDK-INIZCTEOSA-N 300.405 4.605 30 20 DJED CC(=NNc1cccc(C(=O)O)c1)c1sc2ccccc2c1C 1776036791 RWTMNLWMGNJZKB-UHFFFAOYSA-N 324.405 4.744 30 20 DJED CCCCCC1=CCCC1=NNc1cccc(C(=O)O)c1C 1776086237 IZOJYSOBEOEYKL-UHFFFAOYSA-N 300.402 4.762 30 20 DJED O=C(/C=C/c1cnc(-c2cccs2)s1)c1ccccc1F 156584945 ZVVJOVROOYEDGR-BQYQJAHWSA-N 315.394 4.907 30 20 DJED N#Cc1cccc(Cl)c1N[C@H]1CCO[C@H](c2ccccc2)C1 160584066 AIHZOAURFHSPSS-RDJZCZTQSA-N 312.800 4.544 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1cccc(C(F)F)c1 171523618 NDVSHJIIYBZOTO-UHFFFAOYSA-N 307.365 4.514 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1cccc(C)c1Cl 174936985 BRGBZXZRMDDHOS-UHFFFAOYSA-N 320.845 4.930 30 20 DJED C[C@@H](C#N)CSc1ccccc1NCc1cccc(F)c1F 178387523 OWGWJFOWAFWENQ-LBPRGKRZSA-N 318.392 4.829 30 20 DJED C[C@H](NC1(c2ccc(F)cc2F)CCC1)c1cccc(C#N)c1 179752093 SBUGCGULJDCSQE-ZDUSSCGKSA-N 312.363 4.566 30 20 DJED OC1=N[C@H](C/C(O)=N/[C@H](c2ccc(F)cc2)C2CCC2)CCC1 329328323 KJUCVBUPVJLWNY-YJBOKZPZSA-N 318.392 4.523 30 20 DJED C[C@H](C/C(O)=N/C1CCC2(CC1)CC2)/N=C(/O)C1CCCC1 329918954 ALZAPOKAZXSALI-CYBMUJFWSA-N 306.450 4.591 30 20 DJED C=C(CN[C@H](C)c1ccc(-n2ccnc2C)cc1)c1ccccc1 346778063 LRQCKABDWMUNBE-QGZVFWFLSA-N 317.436 4.545 30 20 DJED C/C=C\c1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1 353278382 ZYPDGYCUIOSPPB-RQEHUIBCSA-N 319.408 4.886 30 20 DJED C=CC[C@@H](CC)NC(=O)c1cc(SC)c(Cl)cc1Cl 410120727 MGCJXXDOZYBJMV-SECBINFHSA-N 318.269 4.800 30 20 DJED N#CC1(CSCc2cc(-c3ccccc3Cl)on2)CC1 419641286 JAAYJXLRHJZBAO-UHFFFAOYSA-N 304.802 4.532 30 20 DJED CC(C)C[C@@H]1CCCCN1C(=O)Nc1ccc(C#N)cc1Cl 426131530 PVJDYSYUVXGKTP-AWEZNQCLSA-N 319.836 4.644 30 20 DJED CC(C)O[C@@H](CSCc1ccc(C#N)cc1)c1ccccc1 427664668 SUJFDRCBNKKEFD-IBGZPJMESA-N 311.450 4.958 30 20 DJED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(Cl)cc2)s1 430611344 NTTGDRVWWVLPOD-GFCCVEGCSA-N 318.829 4.584 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1C[C@@H](C)C[C@@H](c2ccccc2)C1 435729956 CBCKXFCCMMFKQJ-YNWKUBOOSA-N 313.485 4.530 30 20 DJED COc1ccccc1OCCSCCCCC(C)(C)C#N 435890692 WOZYWQLJMPUSPE-UHFFFAOYSA-N 307.459 4.527 30 20 DJED CC(C)CCn1ncc(N[C@H]2CCC[C@H](C#N)C2)c1C(C)C 446972893 AXMMOJBBZAPYOF-HOTGVXAUSA-N 302.466 4.547 30 20 DJED C=CCn1c(SCC2CCC2)nnc1-c1ccc(Cl)cc1 463041472 FUBBQVXKIYGUTR-UHFFFAOYSA-N 319.861 4.677 30 20 DJED CC(C)(C#N)CCCN1CCC[C@H]1Cc1ccccc1Cl 472434657 WIUYFDMEOMIDEN-INIZCTEOSA-N 304.865 4.677 30 20 DJED CC(C)CN(C(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1 475060562 DPPSZEWFFXUKPT-UHFFFAOYSA-N 312.800 4.514 30 20 DJED C[C@@H](SCCCCC1CCOCC1)c1ccc(C#N)cc1 507706398 YYEVJRYSRYQFHT-OAHLLOKOSA-N 303.471 4.949 30 20 DJED Cc1ccc([C@@H]2CCCN2c2ccc(Cl)cc2C#N)s1 513744030 GAQAXMDBQXTXEX-HNNXBMFYSA-N 302.830 4.923 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1cc2c(C)c(C)ccc2[nH]1 522593214 KKVYATYFOCUPDH-UHFFFAOYSA-N 324.449 4.675 30 20 DJED CC[C@H](C)Oc1cc(C)ccc1CNCC(C)(C)CCC#N 531789748 XXGWFPGKNLCTFI-INIZCTEOSA-N 302.462 4.592 30 20 DJED CC(C)(C)c1ccccc1NC(=O)c1ccc(Cl)c(C#N)c1 540469255 NAHYWMRSBHDPCS-UHFFFAOYSA-N 312.800 4.761 30 20 DJED CCCN(Cc1ccc(CC#N)cc1)[C@H](C)c1ccccc1OC 541271581 ITUUAVRAVQMRKP-QGZVFWFLSA-N 322.452 4.734 30 20 DJED CCC(C)(C)OCc1ccccc1NCc1cccc(C#N)c1 543617212 VDAQEKRAFKWHPD-UHFFFAOYSA-N 308.425 4.876 30 20 DJED CC(C)[C@@H](CC1CCCCC1)C(=O)N1CCC(CCC#N)CC1 572604054 CSQFHORFEGCDEJ-LJQANCHMSA-N 318.505 4.771 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1C[C@H](c2ccc(F)cc2)C1 590257219 NEMXBYYGMPHJNK-YFVAEKQCSA-N 320.411 4.611 30 20 DJED N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1coc2ccccc12 611276611 MEYKUVCMQUDMTI-VQTJNVASSA-N 316.404 4.705 30 20 DJED C=CCC[C@@H](NC(=O)N1CCC[C@@H](C2CC2)C1)c1ccccc1 673559412 ZWRSOXLXQWDXSD-RTBURBONSA-N 312.457 4.526 30 20 DJED O=C1/C(=C\c2cccc(Br)c2)CCc2sccc21 726894422 ZJQFVDMEYMWKIJ-FLIBITNWSA-N 319.223 4.723 30 20 DJED C#Cc1ccc(C(=O)Nc2ccc(S[C@H](C)CC)cc2C)cn1 728819845 LPBWMICORGUKCD-CQSZACIVSA-N 324.449 4.514 30 20 DJED Cc1cccc2c1C/C(=C\c1ccccc1C(F)(F)F)C2=O 729150716 LOWWOXVVBWITBJ-UKTHLTGXSA-N 302.295 4.836 30 20 DJED CC(=NNc1cc(F)c(F)cc1F)c1oc2ccccc2c1C 734301844 RUFKBROENGGSPN-UHFFFAOYSA-N 318.298 4.995 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)/C=C\C1CCCCC1 735428903 MHIWUKLEZBOHCR-SEYXRHQNSA-N 324.468 4.679 30 20 DJED O=C(/C=C/c1ccc(Br)cc1F)c1ccsc1 749104468 LIWTVYQASDSMCM-DUXPYHPUSA-N 311.175 4.546 30 20 DJED CC(C)[C@H](C#N)OC(=O)c1cc2sc3ccccc3c2s1 750648289 MXQGBDSYEPXICM-NSHDSACASA-N 315.419 4.821 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)s1 762443823 RMXFDUOAQFMINN-GORDUTHDSA-N 308.189 4.823 30 20 DJED CC#CCCCC(=O)Nc1cc2oc3ccccc3c2cc1OC 767047307 SHNNUEVVXAMMDZ-UHFFFAOYSA-N 321.376 4.727 30 20 DJED CC[C@@H](C#N)Oc1cccc(CNC[C@H](CC)c2ccccc2)c1 767371081 JXNHSIPYJCFFSX-ICSRJNTNSA-N 322.452 4.651 30 20 DJED C=CCN(C(=O)c1cccc(-c2ccccc2OCC)c1)C(C)C 772226509 AANDLASKGFUQAW-UHFFFAOYSA-N 323.436 4.789 30 20 DJED CC[C@@H](Nc1ccc(OC(C)C)c(OC)c1)c1ccc(C#N)cc1 774348016 IMBSSPVAXGGPDQ-GOSISDBHSA-N 324.424 4.917 30 20 DJED C[C@H](Nc1ccc(OCC(F)F)cc1)c1ccc(C#N)c(F)c1 777132409 AQKTUXDRPPCVPR-NSHDSACASA-N 320.314 4.514 30 20 DJED C#CCCCCCC(=O)Nc1cccc(-c2csc(C)n2)c1 779740538 HUXIWUVFHLPCMH-UHFFFAOYSA-N 312.438 4.641 30 20 DJED COc1ccc(/C=C\C(=O)c2cc3ccccc3s2)cc1C#N 780187053 BWPVYWBKWUWPNS-VURMDHGXSA-N 319.385 4.678 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)CCCc2ccsc2)n1 783402254 VSTLREUJRSOEEX-ZDUSSCGKSA-N 318.467 4.527 30 20 DJED CC(C)(C#N)CCCOC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 783562109 WOTAURGKTNEPIE-RBUKOAKNSA-N 321.420 4.816 30 20 DJED C[C@@H](C#N)Oc1ccccc1NCCCc1ccccc1Cl 783883325 KJBIAEWQFHQICC-AWEZNQCLSA-N 314.816 4.676 30 20 DJED CC[C@@H](C)CCCCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 784876850 YOTWIRGVVZMELY-HIFRSBDPSA-N 311.429 4.654 30 20 DJED COc1ccccc1CON=C(CC(F)(F)F)c1ccccc1 799118817 WGODZSPOFQVGNC-UHFFFAOYSA-N 323.314 4.569 30 20 DJED CC(=NNc1ccc(Cl)c(Cl)c1)c1coc(C(C)C)n1 799476305 CDCQZVFWMQFMNX-UHFFFAOYSA-N 312.200 4.941 30 20 DJED C#Cc1ccc(CNc2ccc(CCC(F)(F)F)cc2)cc1 809598787 UEBJINXDECDVRI-UHFFFAOYSA-N 303.327 4.775 30 20 DJED Cc1cccc(C)c1[C@H]1CCCN1c1nc(Cl)c(C#N)s1 853758479 NKMWABGQSJMIPP-GFCCVEGCSA-N 317.845 4.627 30 20 DJED C[C@H](CCC#N)CNc1cccc(CC[C@@H](O)c2ccccc2)c1 876859908 OMBFNHRMMHDOSN-DYESRHJHSA-N 322.452 4.705 30 20 DJED CCCOc1cccc(/C=C\C(=O)c2ccc(OC)cc2F)c1 917145598 SVSHHRCZAVRUAF-YFHOEESVSA-N 314.356 4.519 30 20 DJED Cc1ccc(-c2nc(C=NOCc3ccccc3)cs2)cc1 918710842 GRJIBQZNPRWBBE-UHFFFAOYSA-N 308.406 4.669 30 20 DJED COc1cc(CN[C@@H](C)c2cccc(C#N)c2)cc2ccccc12 1203666106 YTAHYQZZWMFFDY-HNNXBMFYSA-N 316.404 4.571 30 20 DJED Cc1ccc(C#N)cc1C(=O)N1c2ccccc2[C@H](C)CC1(C)C 1357970499 WXAQKGJLOFBICR-OAHLLOKOSA-N 318.420 4.799 30 20 DJED CCn1c(S[C@@H](C#N)CCc2ccccc2)nc2ccccc21 1458722627 JJSARUCAUMAXDF-MRXNPFEDSA-N 321.449 4.673 30 20 DJED COc1ccc(C#N)cc1CSc1ccc2c(c1)CCCC2 1459140592 PLUWVIKGQPIERB-UHFFFAOYSA-N 309.434 4.738 30 20 DJED Cc1cc(C)cc(C[C@@H](C)Nc2ncc(Cl)c(C)c2C#N)c1 1472709050 BTYXLEJSMVWTHN-CYBMUJFWSA-N 313.832 4.575 30 20 DJED N#CCOc1cc(F)ccc1NCc1ccc(C2CCCC2)cc1 1474429094 BNKYPKFMDYGJJI-UHFFFAOYSA-N 324.399 4.998 30 20 DJED Cc1sc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)c(C#N)c1C 1529477609 KVIJXIJRPVUQNE-RRFJBIMHSA-N 316.470 4.782 30 20 DJED CC[C@@H](C)c1ccc([C@@H](NC(=O)c2ccc(C#N)o2)C(C)C)cc1 1531422335 NUGRVNXQVVXKQT-KUHUBIRLSA-N 324.424 4.792 30 20 DJED C[C@H](Nc1nc(C(C)(C)C)ccc1C#N)[C@H](C)c1ccccc1 1559123819 PKBZOMFPFOIIKJ-GJZGRUSLSA-N 307.441 4.855 30 20 DJED Cc1cc(C#N)cc(NCc2c[nH]nc2-c2ccc(Cl)cc2)c1 1620968771 KPRRDSPIEVQLTB-UHFFFAOYSA-N 322.799 4.522 30 20 DJED Cc1c(Cl)cnc(N2CC[C@@H](C(C)(C)C)C[C@@H]2C)c1C#N 1639985342 KRCUTRIQURHHND-WCQYABFASA-N 305.853 4.566 30 20 DJED Cc1cc(Nc2c(C#N)cnc3c(Cl)cccc23)ccc1F 1642217897 HFDIUPPBAYRQBI-UHFFFAOYSA-N 311.747 4.951 30 20 DJED CCC(CC)[C@@H](NCc1ccc(C#N)cc1OC)c1ccccc1 1642457722 UCTDRNJEIDHADH-OAQYLSRUSA-N 322.452 4.834 30 20 DJED N#Cc1c(F)cccc1N1CCC(=Cc2ccccc2F)CC1 1650864228 CGOXWRZSLOCNBI-UHFFFAOYSA-N 310.347 4.520 30 20 DJED CCCc1ccc(CN(CCC)Cc2ccc(C#N)cc2)cc1 1653156557 LAWMQSFQGCPAOW-UHFFFAOYSA-N 306.453 4.923 30 20 DJED CCN(Cc1ccc(Cl)c(Cl)c1)c1nccc(C)c1C#N 1655008027 WNKYPNHCEWAOKA-UHFFFAOYSA-N 320.223 4.595 30 20 DJED C[C@@H]1CCCc2ccccc2[C@H]1Nc1ncc(C#N)cc1Cl 1655353734 CRLLHAOUDZJCPZ-PXAZEXFGSA-N 311.816 4.732 30 20 DJED O=C(O)c1ccc(NN=C2CCC[C@@H](c3ccccc3)CC2)cc1 1776012229 JZPGNOOFENHNDG-MRXNPFEDSA-N 322.408 4.901 30 20 DJED N#Cc1ccccc1/C=C/C(=O)Nc1ccc(Cl)c(Cl)c1 27385842 XOAOJIVYTURCHT-VMPITWQZSA-N 317.175 4.517 30 20 DJED C#Cc1cccc(NCc2ncc(-c3cccc(Cl)c3)o2)c1 44758687 XBPPPGNCQLIVPF-UHFFFAOYSA-N 308.768 4.588 30 20 DJED CCN(C(=O)c1cccc(C#N)c1)[C@H](C)c1cc2ccccc2o1 55605024 GHSMBDQBWDJNRZ-CQSZACIVSA-N 318.376 4.528 30 20 DJED C=CCOc1cccc(NC(=O)N(C)[C@H](C)c2cccs2)c1 56772310 JGKSZWRAULKYGE-CYBMUJFWSA-N 316.426 4.538 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1cc(C)n(C(C)C)c1C 60677998 KMUCWDYXRLWYCQ-UHFFFAOYSA-N 316.470 4.576 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)CCC2CCCCC2)n1 80454997 WVMYWQLJDCMDMK-CQSZACIVSA-N 304.459 4.803 30 20 DJED C=CCC[C@@H](N[C@@H](C)c1nc(-c2ccncc2)cs1)C1CC1 90045747 FWSLNNVJNWLEHP-XJKSGUPXSA-N 313.470 4.601 30 20 DJED Cc1c([C@@H](C)N[C@@H](CCC#N)c2ccccc2)cccc1[N+](=O)[O-] 90664991 ZJZSOHXQBGZODH-QAPCUYQASA-N 323.396 4.599 30 20 DJED N#Cc1ccc(SCc2ccc(Br)s2)cc1 109263500 ZCNYMBJTSFEUFN-UHFFFAOYSA-N 310.241 4.675 30 20 DJED C=CCC[C@H](NCc1csc([C@@H](C)OC)n1)c1ccccc1 160047435 BPEDWPGDLDIKMU-PBHICJAKSA-N 316.470 4.648 30 20 DJED N#CCCCCSCc1cc(Br)ccc1F 161671155 GQXWLELHPUZXQA-UHFFFAOYSA-N 302.212 4.515 30 20 DJED N#CCc1ccc(NCc2ccc(Cl)c3cccnc23)cc1 181471997 LQQPQKLUWZGVHR-UHFFFAOYSA-N 307.784 4.566 30 20 DJED N#CCC[C@@H](NCC1CCC(C(F)(F)F)CC1)c1ccccc1 183750605 UMBOEWGTTSTNPK-BDVYOWHSSA-N 324.390 4.990 30 20 DJED C[C@@H](Nc1ccc(OCC(F)(F)F)cc1)c1cccc(C#N)c1 192984465 DGGLNARCXAORSZ-GFCCVEGCSA-N 320.314 4.672 30 20 DJED N#CC1(CCCNc2cccc(-c3ccccc3)c2)CCOCC1 292431695 LSJCLOOARHLYGI-UHFFFAOYSA-N 320.436 4.866 30 20 DJED CCSc1ccc([C@@H](C)Nc2snc(Cl)c2C#N)cc1 301178496 GZCIDWYRZWSSPO-SECBINFHSA-N 323.874 4.953 30 20 DJED C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1cccc(-n2cccn2)c1 301414477 DIMXDZGCXDEFQH-CYBMUJFWSA-N 322.799 4.570 30 20 DJED Cc1ccc(N=C(O)C2CCC(/N=C(/O)C3CC3)CC2)c(F)c1 329250510 UKZIQGBWNBCLSQ-UHFFFAOYSA-N 318.392 4.647 30 20 DJED Cc1cccc([C@@H](C)[S@](=O)CCC2(C#N)CCCCC2)c1 417142436 FFVZISLGHBBEIW-IIBYNOLFSA-N 303.471 4.669 30 20 DJED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cc(F)cc(F)c1 417376895 CQGXEOWGNSIHNJ-CWTRNNRKSA-N 312.363 4.565 30 20 DJED C[C@@H](NCc1ccc(F)cc1C#N)c1cc(Cl)ccc1Cl 426741487 LIXTXAOVDGULMC-SNVBAGLBSA-N 323.198 4.855 30 20 DJED C=CCC1(C(=O)N2CCCn3c(cc4ccccc43)C2)CCCC1 451785261 FUTFTCMXOUPVFY-UHFFFAOYSA-N 322.452 4.510 30 20 DJED C=C(C)CN(CC)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C 466153680 RBVHJIFWHVQMFM-XOKHGSTOSA-N 320.864 4.645 30 20 DJED CCc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1C 476525420 LHLXEHVPNGQQLB-UHFFFAOYSA-N 306.409 4.611 30 20 DJED C=CCC1(C(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)CCC1 480580672 NAOWQBSMYIAZNF-MRXNPFEDSA-N 315.432 4.668 30 20 DJED CC[C@H](C)c1ccc([C@H](NCc2cc(C#N)n(C)c2)C(C)C)cc1 480670972 ZNUQHTGEPJQCOI-HRAATJIYSA-N 323.484 4.897 30 20 DJED C=CCC[C@H](CCC)N[C@H](C)c1nc(-c2cccc(F)c2)no1 483348126 VTUMOGDWRIBFCJ-CJNGLKHVSA-N 317.408 4.661 30 20 DJED CC(C)[C@@H](NCc1ccc(C#N)c(F)c1)c1ccccc1Cl 484074784 QIKCCMJKEPIBQV-GOSISDBHSA-N 316.807 4.838 30 20 DJED C=C(C)[C@@H](NCc1nc(CCC)cs1)c1ccc(F)c(F)c1 494844815 DLBVYOMPHJDQHV-QGZVFWFLSA-N 322.424 4.781 30 20 DJED C=CCCc1ccccc1NC(=O)c1cnc2c(F)cccc2c1 512778737 JHJXXRREQNTVIZ-UHFFFAOYSA-N 320.367 4.745 30 20 DJED CC[C@H](Nc1nccc(C#N)c1Cl)c1ccc(Cl)cc1 514958983 QMGCBCGTLMZESH-ZDUSSCGKSA-N 306.196 4.823 30 20 DJED CCN(C(=O)C[C@@H]1CCCC[C@H]1C)[C@@H](C)c1ccc(C#N)cc1 518808425 IVCBDYUDUGRBKL-GJYPPUQNSA-N 312.457 4.684 30 20 DJED CC(C)c1ccc([C@H](C)CC(=O)Nc2sccc2C#N)cc1 523102660 WRNHYPPJEFATFK-CYBMUJFWSA-N 312.438 4.875 30 20 DJED C=CCCC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 523956232 FSSDLYHTVLTHNQ-UHFFFAOYSA-N 314.366 4.568 30 20 DJED C[C@H](N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc(C#N)c(F)c1 538507856 HZNZZUSZJCGECV-BOUXLOLZSA-N 308.400 4.684 30 20 DJED C=CCOc1ccc(CN[C@@H](c2ccc(C)o2)C2CCC2)cc1 552323238 AXGNZLZMLIADHC-HXUWFJFHSA-N 311.425 4.784 30 20 DJED N#CC1CCC(CN[C@H](Cc2ccccc2Cl)C2CC2)CC1 559842024 KLRQJSDGRGOLSI-JFIBYHEFSA-N 316.876 4.581 30 20 DJED C[C@H](NCc1ccc(C(C)(F)F)cc1)c1ccc(C#N)cc1F 584282326 ZEWSEVNXWXLARP-LBPRGKRZSA-N 318.342 4.660 30 20 DJED C=C(C)CN(CC)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 590015650 WGGARVKIFNZKTR-OLZOCXBDSA-N 312.240 4.522 30 20 DJED N#CCCCN1CCc2sccc2[C@H]1c1ccc(Cl)cc1 595767686 SAAIXKKPWGWWEW-QGZVFWFLSA-N 316.857 4.653 30 20 DJED N#CCc1c[nH]c2ccc(-c3ccc(OC(F)(F)F)cc3)cc12 596641965 RMQOZOKVDPQCMD-UHFFFAOYSA-N 316.282 4.800 30 20 DJED C=CCCCN(C)C(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 605677189 SITUVUKFPAMWMA-UHFFFAOYSA-N 311.212 4.513 30 20 DJED CC[C@@H](CC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccc(C)cc1 610364748 UKWJVQOHGQDPAH-AEFFLSMTSA-N 320.436 4.628 30 20 DJED C=CCN(CCCC(=O)Nc1c(C)cc(C)cc1C)C(C)(C)C 661760488 VUYYZXYDMAQADS-UHFFFAOYSA-N 316.489 4.617 30 20 DJED O=C(/C=C/C=C/c1ccccc1)c1ccccc1OC(F)F 728694734 HIKTZFPJOHGDJE-PHFXQHTASA-N 300.304 4.740 30 20 DJED CC(Cc1ccsc1)=NNc1ccccc1Br 729635245 KCRKXYZHTMCZCW-UHFFFAOYSA-N 309.232 4.541 30 20 DJED Cc1cccc(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1C 734305373 SACKTDJKXHYRMW-VQHVLOKHSA-N 315.756 4.761 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C\c3ccc(C)c(C)c3)c2c1 734306883 HYGNSBFMFXXYIZ-TWGQIWQCSA-N 305.377 4.689 30 20 DJED Cn1nc(-c2ccccc2)c(/C=C\C(=O)c2ccccc2)c1Cl 734752435 DFVUZVVJVJAVMI-SEYXRHQNSA-N 322.795 4.637 30 20 DJED CCCCCCC[C@H](C)CNC(=O)N(C)[C@H](C)c1ccncc1 744280672 UOXYIJREVVRIDI-DLBZAZTESA-N 319.493 4.781 30 20 DJED Cc1cc(F)ccc1C(=O)/C=C/c1coc(-c2ccccc2)n1 749892937 CIDHRYCSNGYBAD-CSKARUKUSA-N 307.324 4.685 30 20 DJED C=CCN(CC=C)C(=S)Nc1ccccc1-c1ccccc1 750976126 RJPBNBHXVVLUPS-UHFFFAOYSA-N 308.450 4.724 30 20 DJED Cc1cc(/C=C2\CSc3c(F)cccc3C2=O)cnc1Cl 760265686 YWWTUZXFHQTALR-IZZDOVSWSA-N 319.788 4.555 30 20 DJED N#CC1(OC(=O)c2ccc(-c3ccc(Cl)cc3)s2)CCC1 762106942 WLIMJLQCGKPZKI-UHFFFAOYSA-N 317.797 4.672 30 20 DJED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1nc2ccccc2s1 766348790 BHUUZQVWMPKWQX-OLZOCXBDSA-N 307.422 4.580 30 20 DJED C[C@@H](CCc1ccccc1)CNc1ccccc1O[C@@H](C)C#N 779989777 ZYUFGZTYQYCHIZ-IRXDYDNUSA-N 308.425 4.658 30 20 DJED CCCCCCCCC(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C 780279160 YKNDUIDGIVTMNM-KBPBESRZSA-N 307.400 4.926 30 20 DJED C=CCC[C@H](NC(=O)CCCc1ccsc1)c1ccccc1 783443829 GWBUUXUWMVOTNP-SFHVURJKSA-N 313.466 4.895 30 20 DJED Cc1cc(/C=C\C(=O)c2cc(F)cc(F)c2)cc2cccnc12 783711148 TYLNAUDUWWNXGT-PLNGDYQASA-N 309.315 4.718 30 20 DJED Cc1sc2ncnc(NN=C3CCC[C@H]3CCCF)c2c1C 800806345 DQIWIMKQEAZKBW-LBPRGKRZSA-N 320.437 4.626 30 20 DJED C[C@H]1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)c2ccccc21 809159521 QVKYGPUNGYFSST-WWNSAXIVSA-N 313.740 4.632 30 20 DJED CC1(C)C[C@@H](NN=C2CCCC[C@H]2C2=CCCCC2)CCO1 814910416 UTXAAOLEXRUQKM-IRXDYDNUSA-N 304.478 4.580 30 20 DJED C=C(Cl)COc1ccc([C@@H](C)NCCC(C)(F)F)cc1 834817949 FVENDKOXNNXVPG-GFCCVEGCSA-N 303.780 4.514 30 20 DJED CC(=NOCC1CC(F)(F)C1)c1csc(-c2ccccc2)n1 842052078 ZMFWIMASJIZZIF-UHFFFAOYSA-N 322.380 4.596 30 20 DJED CC(C)(CC(=O)[C@H](C#N)c1nc(C2CC2)cs1)c1ccccc1 842943547 XOIJXPNSVFPLOE-HNNXBMFYSA-N 324.449 4.565 30 20 DJED N#CC1(CC(=O)OCc2ccc(C(F)F)cc2)CCCCC1 849906572 DGGZFQBEDCMSDJ-UHFFFAOYSA-N 307.340 4.532 30 20 DJED COc1cc(C#N)cc(Cl)c1OCc1ccc(Cl)cc1C 864045586 XDQJEQXYILAUHN-UHFFFAOYSA-N 322.191 4.761 30 20 DJED Cc1cc(C)c(C[S@@](=O)CCCCC2(C#N)CCC2)c(C)c1 899390699 COJXKCSYAMFUSE-QFIPXVFZSA-N 317.498 4.725 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccccc1COC(C)(C)C 928392320 VFNLFCQNJZNADP-UHFFFAOYSA-N 301.430 4.709 30 20 DJED Cc1nc(N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)ccc1C#N 1186707018 ZUHBPWCHGMPWHW-WMLDXEAASA-N 311.816 4.663 30 20 DJED N#C[C@@H]1CCCN(Cc2ccc(-c3ccc(Cl)cc3)cc2)C1 1233219882 KCOWBMXREPYWKZ-INIZCTEOSA-N 310.828 4.743 30 20 DJED Cc1nc2ccccc2nc1S[C@H](C#N)CCc1ccccc1 1307289553 RCPVJGHPOCHCJO-INIZCTEOSA-N 319.433 4.555 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccn(C2CCCCC2)n1 1324729336 NXFKAEZLFUVEDZ-UHFFFAOYSA-N 318.465 4.598 30 20 DJED CSc1ccccc1C(=O)/C=C/c1ccc2ncccc2c1 1339885318 MODYVIXGZLRGMM-PKNBQFBNSA-N 305.402 4.853 30 20 DJED N#Cc1cccc(C#N)c1Oc1ccc2c(c1)[nH]c1ccccc12 1343783180 MMEQCQVBLSTSPT-UHFFFAOYSA-N 309.328 4.857 30 20 DJED C=CCC(C)(C)c1noc(C2(Sc3ccccc3)CC2)n1 1347678937 SBHANUOWYRAFFE-UHFFFAOYSA-N 300.427 4.705 30 20 DJED CC(C)(C)Sc1ccc(NC(=O)c2ccsc2C#N)cc1 1357420360 LOKPNVYGJMXOAU-UHFFFAOYSA-N 316.451 4.763 30 20 DJED N#CC1(CCN2CC[C@@H](Cc3ccc(F)cc3)C2)CCCCC1 1459506608 KDGYSUYEKOIKAO-SFHVURJKSA-N 314.448 4.554 30 20 DJED CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1ccc(C#N)cc1C 1459643346 JMIRSTNQELUPDG-NRFANRHFSA-N 306.453 4.628 30 20 DJED CCN(C[C@H](C)CCC#N)[C@H](Cc1ccc(F)cc1)C(C)C 1474345514 PTDUWTPJHJDKFL-VQIMIIECSA-N 304.453 4.655 30 20 DJED C[C@H]1CCc2sc(NC(=O)CCC3CCC3)c(C#N)c2[C@H]1C 1527538616 DRNZZZZMGSWKTP-RYUDHWBXSA-N 316.470 4.824 30 20 DJED CCc1nnc(S[C@H]2CCCc3ccccc32)c(C#N)c1CC 1559131488 ZBGOYARIBNUIHN-SFHVURJKSA-N 323.465 4.643 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccsc1C(F)(F)F 1560897983 UCIJNQRJQNSWTO-NSHDSACASA-N 324.371 4.832 30 20 DJED CCCC[C@@H](CC)CNC(=O)Nc1ccc(C#N)c(Cl)c1 1562110408 LXSTYHWHQOJNNA-GFCCVEGCSA-N 307.825 4.550 30 20 DJED Cc1ccc(Sc2c(Br)cccc2C#N)cc1 1639182433 LPHRBTJDPXWQGQ-UHFFFAOYSA-N 304.212 4.780 30 20 DJED Cc1cc(N[C@H](C)c2cc(Cl)ccc2Cl)ncc1C#N 1651767909 WRFHWQJNJIKSEC-SNVBAGLBSA-N 306.196 4.742 30 20 DJED CN(Cc1ccc(Cl)cc1C#N)[C@@H]1CCC[C@H]1c1ccccc1 1653848651 WJSKFNZHYXIRIG-VQTJNVASSA-N 324.855 4.980 30 20 DJED Cc1ccc([C@@H]2CCC[C@H]2N(C)Cc2cccc(F)c2C#N)cc1 1658827027 DAWDDUAFDSZYLT-GHTZIAJQSA-N 322.427 4.774 30 20 DJED CC[C@H](C)Oc1cc(C)ccc1CNC1CCC(C)(C#N)CC1 1661915306 SXJYWJXPYWDLSH-VQSBYGRUSA-N 314.473 4.734 30 20 DJED N#Cc1c(F)cccc1CNCC1(Cc2ccccc2)CCCC1 1664026511 ZNFIHGBZLLRFRV-UHFFFAOYSA-N 322.427 4.590 30 20 DJED C=CCN(Cc1ccccc1)C(=O)c1ccc2[nH]c(C)c(C)c2c1 24498067 YEXPOMSNFJKCHB-UHFFFAOYSA-N 318.420 4.613 30 20 DJED CC(C)(CCC#N)CNc1ccc(N2CCCC2)c(Cl)c1 124719518 NUKBDTOPMRTXJG-UHFFFAOYSA-N 305.853 4.682 30 20 DJED CCC(CC)CC(=O)Nc1ccccc1SC[C@@H](C)C#N 129212776 PFNVTFCYFHRTAP-ZDUSSCGKSA-N 304.459 4.703 30 20 DJED Cc1ccc(-c2nc(/C=C/C(=O)c3ccccc3F)co2)cc1 156582449 YDIZHETYQPIKSG-ZHACJKMWSA-N 307.324 4.685 30 20 DJED C[C@@H](C#N)Oc1ccccc1N[C@H](C)CCc1cccc(F)c1 180202690 LPPQIQGUHOGZPZ-CABCVRRESA-N 312.388 4.550 30 20 DJED C=C(C)CN(C)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C 181664697 OHGRQMHNCWQOGW-AWEZNQCLSA-N 306.475 4.925 30 20 DJED CC(C)(C#N)CCCNC(C)(c1ccccc1)c1ccccc1 182187373 RYFKMCMESCDZBG-UHFFFAOYSA-N 306.453 4.870 30 20 DJED CCOc1cccc2cc([C@H](C)N[C@H]3CCC[C@H](C#N)C3)oc12 185764462 LYIVWRVSICIOGO-DZKIICNBSA-N 312.413 4.564 30 20 DJED C[C@@H](Nc1ccc2ccccc2c1)c1ccc(OCC#N)cc1 192977064 FIVZSGZAQLNPFS-OAHLLOKOSA-N 302.377 4.915 30 20 DJED O=C(/C=C\c1cccs1)c1ccc(F)c(Br)c1 207540629 BESJFDFQQRQOKW-XQRVVYSFSA-N 311.175 4.546 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1c1nc2ccccc2s1 301456244 SCXOTLAFNLGQFD-NVXWUHKLSA-N 319.433 4.572 30 20 DJED CC1(C)C[C@H](Nc2snc(Cl)c2C#N)c2ccccc21 301756729 LEGODOORVNQVGQ-LBPRGKRZSA-N 303.818 4.503 30 20 DJED C[C@H](CCCC(F)(F)F)Nc1cccc(OCCCC#N)c1 317785376 UBPCOJYYYCUWFH-CYBMUJFWSA-N 314.351 4.902 30 20 DJED Cc1nc(-c2ccccc2NCc2cccc(C#N)c2)cs1 359615137 CSOKJGCFFLYIDG-UHFFFAOYSA-N 305.406 4.602 30 20 DJED Cc1cc(C)c(NC(=O)[C@@H](C)Sc2ccccc2C#N)c(C)c1 439721825 SZGODTCJNGKONS-OAHLLOKOSA-N 324.449 4.603 30 20 DJED CC[C@H](F)CN[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 440493430 WQSZZSWLNPOFKU-WDEREUQCSA-N 317.248 4.647 30 20 DJED C=CC[C@@H](C(=O)Nc1cc(Cl)cc(F)c1F)c1ccccc1 441573051 HMMBBUUFLWFCJG-CYBMUJFWSA-N 321.754 4.917 30 20 DJED CC[C@H](NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(C#N)cc1 447586047 LCLJMEYLBWSETC-UAGQMJEPSA-N 324.390 4.968 30 20 DJED C=CCCCC[C@H](C)N[C@H](C)c1nc(-c2ccncc2)cs1 449221813 HHYBBVJCAOYXSC-LSDHHAIUSA-N 315.486 4.991 30 20 DJED CC(C)(C)c1nc(CNc2ccc(CC#N)cc2Cl)cs1 453136262 ULBVMZOMZBJXBH-UHFFFAOYSA-N 319.861 4.772 30 20 DJED C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1cccc(C#N)c1 462260295 ULYGCYAKRHVRRE-SNVBAGLBSA-N 319.191 4.607 30 20 DJED C[C@H](C(=O)N(c1ccccc1)C1CCCC1)c1cccc(C#N)c1 463947238 RXAJRWCOQFQDHV-INIZCTEOSA-N 318.420 4.638 30 20 DJED C=CCCN(C)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 466973454 FOXMQBNEYCIJDL-MRXNPFEDSA-N 306.425 4.521 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)[C@H](C)CCCc1ccccc1 471172820 MWSDYGXESDXIGU-QGZVFWFLSA-N 314.473 4.576 30 20 DJED C=C(C)CN(C)C(=O)Nc1cccc(OCc2ccccc2C)c1 477524573 CSFDQGWPMRUPIQ-UHFFFAOYSA-N 324.424 4.614 30 20 DJED Cc1nc(SCc2ccc(C#N)cc2)[nH]c1-c1ccccc1 488214936 JULDGLYYMNSPJV-UHFFFAOYSA-N 305.406 4.549 30 20 DJED CCN(C(=O)CCCC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 504330039 XIZVBVXAZCJAHG-HNNXBMFYSA-N 300.446 4.684 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCCC(C)(C)C 504407727 HHNVAUMEPJTFLA-UHFFFAOYSA-N 314.473 4.759 30 20 DJED N#Cc1ccc(/C=C\c2ccc(-c3cccc(F)c3)s2)nc1 508606413 ZQPMGXFTGFLIHT-SREVYHEPSA-N 306.365 4.991 30 20 DJED CC[C@@H](C)CN(CC)C(=O)c1sc2ccc(C#N)cc2c1C 517189964 IZZUWUYXJHDIQP-GFCCVEGCSA-N 314.454 4.590 30 20 DJED CC(C)c1ccc([C@@H]2CCCN2C(=O)c2ccc(C#N)s2)cc1 535498298 KFSJIQMLSGZGSU-KRWDZBQOSA-N 324.449 4.720 30 20 DJED C=C(CC)CSCC(=O)Nc1ccc(Cl)cc1Cl 537993448 VFODJAYYUOXSMN-UHFFFAOYSA-N 304.242 4.631 30 20 DJED CCCCOc1ccc(OC)cc1NCC(C)(C)CCC#N 538837865 JAZPYETVGROLPU-UHFFFAOYSA-N 304.434 4.616 30 20 DJED C=CCOc1ccc(CN[C@H](c2ccc(C)o2)C2CCC2)cc1 552323237 AXGNZLZMLIADHC-FQEVSTJZSA-N 311.425 4.784 30 20 DJED C=CCN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC1 557209177 KGOZGTDSLWAOMO-UHFFFAOYSA-N 308.381 4.661 30 20 DJED N#C[C@H](NC(=O)CCCC1CCCCC1)c1ccc(Cl)cc1 564677102 XFFQWKSEVKVPRW-KRWDZBQOSA-N 318.848 4.771 30 20 DJED CC(C)(CCC#N)CNc1c(C#N)cnc2c(Cl)cccc12 571876631 JMNHHTIVVBLDRB-UHFFFAOYSA-N 312.804 4.502 30 20 DJED C=C[C@](C)(CC)c1nc(Cc2c[nH]c3ccc(Cl)cc23)no1 574433694 MIRIQWSEVLWSIP-QGZVFWFLSA-N 315.804 4.649 30 20 DJED C=C(C)COc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2C)c1 589739254 LZXFMKZIGLNLHU-CRAIPNDOSA-N 316.445 4.684 30 20 DJED CCc1c(C)sc(NC(=O)[C@H]2CCCc3ccccc32)c1C#N 609032409 GOGLSFKWKBVADM-INIZCTEOSA-N 324.449 4.549 30 20 DJED CC[C@H](C)[C@@H](C(=O)N[C@H](C)c1cccc(C#N)c1)c1ccccc1 610362612 QKDINEAOECPENE-RZQQEMMASA-N 320.436 4.565 30 20 DJED CC1(c2ccccc2)CC(=NNc2ccc(OC(F)F)cc2)C1 729638836 HXDJFPROSORRJW-UHFFFAOYSA-N 316.351 4.808 30 20 DJED O=C(/C=C/c1cc(C(F)(F)F)ccc1F)c1ccc(F)cc1 733205533 YVDQOKPNTUWVHR-FPYGCLRLSA-N 312.237 4.880 30 20 DJED Cc1ccc2c(c1C)C(=O)/C(=C\c1nccc3ccccc13)CO2 740765506 DNKFMZLZMYJVOF-WJDWOHSUSA-N 315.372 4.510 30 20 DJED O=C(/C=C/c1cccc(F)c1)c1cccc(-c2ccncc2)c1 741472814 KOJQDJNFFOKVCN-BQYQJAHWSA-N 303.336 4.784 30 20 DJED CC(=NN=C1CCCCCCCCCCC1)c1cnccn1 745204132 UBQOOWZVOCXNIQ-UHFFFAOYSA-N 300.450 4.946 30 20 DJED CCn1nccc1/C=C\C(=O)c1ccc(Oc2ccccc2)cc1 753714619 OHTKXLHASPFIHB-RAXLEYEMSA-N 318.376 4.591 30 20 DJED C=CC[C@@H](N[C@H](C)c1ccc2ccccc2c1O)c1ccncc1 756582476 JBCBZUNXJAWCRZ-FOIQADDNSA-N 318.420 4.908 30 20 DJED CSc1ccc(C(=O)/C=C\c2cccc(O)c2)c(Cl)c1 765614431 VXHPKRRVJOQKQO-YVMONPNESA-N 304.798 4.664 30 20 DJED C=CCN(C(=O)c1cnc(Cl)c2ccccc12)c1ccccc1 766386198 OCLUJUAISFQYRL-UHFFFAOYSA-N 322.795 4.721 30 20 DJED Cc1cc(N2CCCC2)ccc1N[C@H](C)c1ccc(C#N)c(F)c1 776756277 MJVXBHYRBIEWOY-OAHLLOKOSA-N 323.415 4.779 30 20 DJED C#CCCCCCC(=O)Nc1c(C)cc(Br)cc1C 779851692 WDLMSPQCEXQHEP-UHFFFAOYSA-N 322.246 4.588 30 20 DJED O=C(/C=C/c1cccc(-c2ccccn2)c1)c1ccnc(Cl)c1 782195544 ZTMIQHUVKRZJTP-BQYQJAHWSA-N 320.779 4.693 30 20 DJED N#CC[C@H](CC(=O)NCC1CCCCCCC1)c1ccccc1 793137649 XLDIEMGVSOZZLC-LJQANCHMSA-N 312.457 4.551 30 20 DJED Cc1cccc([C@H](C)OC(=O)C[C@@H](CC#N)c2ccccc2)c1 795982823 SUEJCIHJADAWCJ-QFBILLFUSA-N 307.393 4.687 30 20 DJED Fc1cccc(Cl)c1NN=C1CC[C@H]2CNc3cccc1c32 814905046 MCWKLEMBJVRNNZ-JTQLQIEISA-N 315.779 4.598 30 20 DJED C(=NOCc1ccccc1)c1ccccc1OCc1ccccc1 839419441 FXEVVLYLOOSMIJ-UHFFFAOYSA-N 317.388 4.816 30 20 DJED CCCCCCCSc1nnc(Cc2ccc(OC)cc2)o1 915790612 YGIVNYJVBLVBPW-UHFFFAOYSA-N 320.458 4.732 30 20 DJED CCc1ccc(C(=O)/C=C\c2ncc(-c3ccccc3)[nH]2)s1 1116803758 FCRFSWUFZYLZOY-LUAWRHEFSA-N 308.406 4.597 30 20 DJED CC(C)Oc1ccccc1CN(C)[C@H](C)c1cccc(C#N)c1 1171390194 IPPBTYAPEHPMDN-MRXNPFEDSA-N 308.425 4.538 30 20 DJED C[C@]1(c2ccccc2)CCCN(Cc2cccc(F)c2C#N)CC1 1181698593 SXLZPAPZIFJMFG-NRFANRHFSA-N 322.427 4.641 30 20 DJED COc1cc(CN2CCCC3(CCCCCC3)C2)ccc1C#N 1308562623 YSEYKEZWGFTLPK-UHFFFAOYSA-N 312.457 4.503 30 20 DJED CCC[C@@H](CC(C)C)C(=O)N(C)[C@@H](C#N)c1ccc(CC)cc1 1436561658 YMELLWWPJSKLOV-OALUTQOASA-N 314.473 4.734 30 20 DJED C=C(Cl)CSc1nc2cccc(Br)c2s1 1459065863 CIAZJDNUPGJVTI-UHFFFAOYSA-N 320.664 4.903 30 20 DJED Cc1ccc(CN(CCC#N)CC(C)(C)C)c(Br)c1 1459537979 HHPYEHVUQVEVNK-UHFFFAOYSA-N 323.278 4.519 30 20 DJED CC[C@](C)(C#N)C(=O)NC(C1CCCCC1)C1CCCCC1 1462420421 FVJHWMLBBPFZAL-LJQANCHMSA-N 304.478 4.572 30 20 DJED CCc1cc(C#N)c(NC(=O)C[C@@H]2CCCCC2(C)C)s1 1527844181 WSANJRWGHQYWKA-ZDUSSCGKSA-N 304.459 4.727 30 20 DJED Cc1ccc(C(=O)Nc2ccc(C#N)cc2Cl)c2ccccc12 1544256166 VBEWLTACPIEKMT-UHFFFAOYSA-N 320.779 4.926 30 20 DJED Cc1cc(Cl)ccc1Oc1ccc(Cn2ccnc2C#N)cc1 1559389413 AUPDBANGUGJFRR-UHFFFAOYSA-N 323.783 4.557 30 20 DJED CCCC[C@@H](CC)COc1cc(C#N)ccc1Br 1559451284 HTCWHXLBFHUOQF-GFCCVEGCSA-N 310.235 4.916 30 20 DJED C=C(Cl)CN1CCc2ccccc2[C@@H](c2ccccc2)[C@@H]1C 1559661042 KTEWANXERFWSRM-OXJNMPFZSA-N 311.856 4.818 30 20 DJED C[C@H]1CCCC[C@@H]1CSc1nc(C(F)(F)F)ccc1C#N 1641069092 TXYVQAXJKJATIQ-CMPLNLGQSA-N 314.376 4.890 30 20 DJED Cc1ccc(-c2nc(CSc3cccc(F)c3C#N)co2)cc1 1641162944 NHNAPWDTENCEHX-UHFFFAOYSA-N 324.380 4.953 30 20 DJED N#Cc1cnc(NC2CCC(c3ccccc3)CC2)c(Cl)c1 1642059580 UJXSKERUGGEGAV-UHFFFAOYSA-N 311.816 4.745 30 20 DJED C[C@H]1CCN(Cc2ccc(F)c(C#N)c2)c2ccccc2S1 1642067958 GSSRGMITWFWKDO-ZDUSSCGKSA-N 312.413 4.588 30 20 DJED COc1ccc(C#N)cc1CN[C@@H](CCC(C)C)C(C)(C)C 1645042057 VQDMFAPOKHDMFB-SFHVURJKSA-N 302.462 4.507 30 20 DJED CCCc1c(N[C@@H](C)CCC(C)C)cnn1-c1cccc(C#N)c1 1652238731 PEOFSIJMMJHXFV-INIZCTEOSA-N 324.472 4.933 30 20 DJED Cc1cc(CN2CC[C@H](C)Sc3ccccc32)ccc1C#N 1652456142 UFZBANIUTXXRQD-HNNXBMFYSA-N 308.450 4.758 30 20 DJED N#Cc1ccccc1OCCN1CCCCC[C@@H]1c1ccccc1 1657137877 BWSXIAJSMMWHJL-HXUWFJFHSA-N 320.436 4.554 30 20 DJED N#C[C@H]1CCC[C@@H](Nc2cc(Cl)cc(C(F)(F)F)c2)C1 1659505846 HZYHXKWMXHISEI-JOYOIKCWSA-N 302.727 4.853 30 20 DJED CCCCCC[C@H]1CCCC1=NNc1ccc(CC(=O)O)cc1 1776084415 NQULWZKAUXBCKW-INIZCTEOSA-N 316.445 4.852 30 20 DJED Cc1c(NN=CC2CCC(C(C)(C)C)CC2)cccc1C(=O)O 1776087623 MMQJKIHYKCHDSV-UHFFFAOYSA-N 316.445 4.943 30 20 DJED C=CCC1(C(=O)O)CCN([C@@H](C)c2ccc(C(C)C)cc2)CC1 1776157489 QKDGDVRWYCGVKR-INIZCTEOSA-N 315.457 4.614 30 20 DJED N#Cc1cccc(/C=C2\CSc3ccc(Cl)cc3C2=O)c1 14180379 RSOMPSLETXDJPD-NTUHNPAUSA-N 311.793 4.584 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)c2ccc(Cl)cc2F)cc1 25439771 NZIKDCBJQFOXGQ-UHFFFAOYSA-N 316.763 4.533 30 20 DJED O=C(/C=C/c1csc(-c2ccsc2)n1)c1cccc(F)c1 63274902 VJZJRUYVSXJKCM-SNAWJCMRSA-N 315.394 4.907 30 20 DJED CCn1cc(C(=O)/C=C/c2cc(-c3ccccc3)cs2)cn1 65999811 IJHKHZOAVGLUMO-CMDGGOBGSA-N 308.406 4.528 30 20 DJED N#Cc1ccc(N[C@H](c2ccccc2)c2ccccn2)cc1Cl 75481361 XJLLEGPWCHIYAK-LJQANCHMSA-N 319.795 4.808 30 20 DJED CC[C@@](C)(NCc1cccc(OCCCC#N)c1)c1ccccc1 107718066 BSHNUWFPYSSBHN-OAQYLSRUSA-N 322.452 4.784 30 20 DJED C=CC1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC1 110365368 INBVNWDIKMZMNZ-KGLIPLIRSA-N 324.251 4.522 30 20 DJED C=CCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(C)C 154534871 RRBUXVWQJBFQSC-UHFFFAOYSA-N 319.836 4.567 30 20 DJED N#CCOc1cc(F)ccc1NCc1csc2ccccc12 181542863 DXVIQAWQXHMLOV-UHFFFAOYSA-N 312.369 4.555 30 20 DJED C[C@@H](NCc1ccc(C#N)c(F)c1)c1cc(Cl)ccc1Cl 192206027 YZXYBPJUIIHYSE-SNVBAGLBSA-N 323.198 4.855 30 20 DJED O=C1/C(=C\c2csc(Br)c2)CCc2ccccc21 216437853 FJGPQQJRZOGHHA-GHXNOFRVSA-N 319.223 4.723 30 20 DJED Cc1cc(O)nc2cc(/C(O)=N/[C@@H]3CCC[C@H](C)CC3)ccc12 329666619 REZPPIRNZWMZOA-SWLSCSKDSA-N 312.413 4.522 30 20 DJED CC[C@@H](N[C@@H]1CCCc2ccc(C)cc21)c1ccc(C#N)cc1 352612094 MREMKMKAWCZGMP-NHCUHLMSSA-N 304.437 4.985 30 20 DJED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)CCCC#N 360152740 XINXSIKYXHXBSB-OAHLLOKOSA-N 312.438 4.532 30 20 DJED C[C@H](C#N)Oc1ccccc1N[C@H]1CCC[C@H](c2cccnc2)C1 369216930 WCGKZTDPRHSJFY-RYRKJORJSA-N 321.424 4.511 30 20 DJED CCCn1c(-c2ccc3ccccc3n2)nc2cc(C#N)ccc21 392657066 ISFLNVXKLSSISZ-UHFFFAOYSA-N 312.376 4.533 30 20 DJED CCCC[C@@H](C)C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 409992678 NSLZYQIIKQZSOV-MFKMUULPSA-N 313.228 4.501 30 20 DJED Cc1ccc(-c2nnc([C@H](C)SCCC(C)(C)C#N)o2)cc1 419477730 QHOJURYCOWEVCO-ZDUSSCGKSA-N 315.442 4.779 30 20 DJED C[C@H](C#N)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 439016044 WJXDAUWEUSDPIS-ZIAGYGMSSA-N 310.422 4.638 30 20 DJED C=C[C@@](C)(CC)C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 442847496 XUUSRPQTJLOKFU-UNMCSNQZSA-N 319.448 4.763 30 20 DJED CCCCn1ccnc1-c1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1 463302904 SYANZJGIVFALPY-SJLPKXTDSA-N 322.456 4.844 30 20 DJED C=CCCN(C)C(=O)Nc1ccc(OCc2ccccc2)cc1C 466552608 AIVNNNDYYJXTOC-UHFFFAOYSA-N 324.424 4.614 30 20 DJED COc1ccc(C#N)cc1CSCCCCC(F)(F)F 507644621 OLVJTJMAMCDKHU-UHFFFAOYSA-N 303.349 4.533 30 20 DJED C=C1CCN(C(=O)c2oc3c(ccc4ccccc43)c2C)CC1 519419118 XOIDISJBJZIREI-UHFFFAOYSA-N 305.377 4.687 30 20 DJED CC(C)[C@H](NCc1ccc(C#N)cc1F)c1ccc(Cl)cc1 533448672 FELFSJGMIAGWHE-SFHVURJKSA-N 316.807 4.838 30 20 DJED CC[C@H](C)Oc1cc(C)ccc1CN[C@H](C)c1ccc(C#N)cc1 539497501 XWWDDKGXJAFGIM-DLBZAZTESA-N 322.452 4.895 30 20 DJED CC[C@H](C)CCC(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 573283627 WKLZAJSEMCVKAU-CCLIWJKGSA-N 316.489 4.524 30 20 DJED C[C@@H](C(=O)Nc1ccccc1CC#N)c1ccc2ccccc2c1 588986984 SJNRQZRHGHUCJA-OAHLLOKOSA-N 314.388 4.648 30 20 DJED Cc1ncc([C@@H](C)Nc2ccc(C(F)(F)F)cc2C#N)s1 601227962 JSEHLEXQSQEHMJ-MRVPVSSYSA-N 311.332 4.515 30 20 DJED N#Cc1ccc(NC(=O)Nc2ccc(C3CC3)cc2)c(Cl)c1 611324610 NLSGAXOCUGDMCR-UHFFFAOYSA-N 311.772 4.733 30 20 DJED Cc1cc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)ccc1F 611394681 WGGQPHTYLMAXAP-VLIAUNLRSA-N 308.400 4.734 30 20 DJED C[C@H]1CC[C@H](NCc2ccc(C#N)c(Cl)c2)c2ccccc21 619754462 AFRPXGHTYZQCGD-DJJJIMSYSA-N 310.828 4.940 30 20 DJED C=C(CNC(=O)c1c(Cl)cc(F)cc1Cl)c1ccccc1 685215294 IOIGKIHXCWVQDU-UHFFFAOYSA-N 324.182 4.576 30 20 DJED CCc1ccc([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)cc1 727736707 ONNOETIXBMXIOD-KRWDZBQOSA-N 320.436 4.608 30 20 DJED COc1ccc(/C=C/C(=O)c2cccc(C)c2)c(Cl)c1OC 730435010 VPKDWZPVPLXBDE-VQHVLOKHSA-N 316.784 4.562 30 20 DJED COCc1ccc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)cc1 741840555 YVQLSVHONBBXPJ-KTKRTIGZSA-N 320.310 4.748 30 20 DJED Cc1ccc(C)c(/C=C/C(=O)c2c(Cl)nc3sccn23)c1 741844410 OWMPJRSRDHVAQF-AATRIKPKSA-N 316.813 4.562 30 20 DJED CCCCCC[C@@H](C)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 742068929 QYTUHFHWZVGECY-CJNGLKHVSA-N 306.837 4.627 30 20 DJED CCCCC[C@H](C)CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 742646367 MRTJXPHOGQAOGA-BBRMVZONSA-N 306.837 4.627 30 20 DJED CCC(=NN[C@@H](C)c1ccc(C(C)C)cc1)C1CCOCC1 745197336 QJYAXKWPRZQEGB-HNNXBMFYSA-N 302.462 4.653 30 20 DJED CC(=NNc1cc(F)c(F)c(F)c1)c1nc2ccccc2s1 747642163 KHYOLFKRKCYWMT-UHFFFAOYSA-N 321.327 4.550 30 20 DJED Cc1cc(Cl)ccc1C[S@@](=O)CCCCC(C)(C)C#N 766871796 IFFZHAYCAQIJOS-FQEVSTJZSA-N 311.878 4.617 30 20 DJED C#CC[C@H](N[C@@H](C)c1ccc(OC(C)C)cc1)c1ccccc1 773105469 HIABAPAVZSTFTI-UWJYYQICSA-N 307.437 4.889 30 20 DJED N#Cc1cc(Cl)ccc1CSCc1ccc2c(c1)COC2 774538428 ADPJTEIXEJVUOC-UHFFFAOYSA-N 315.825 4.675 30 20 DJED C=CC[C@@H](NCCCc1c(F)cccc1Cl)c1ccncc1 775027839 KPSVSCLZURMEGZ-GOSISDBHSA-N 318.823 4.714 30 20 DJED CCCCCCCCC(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C 780279167 YKNDUIDGIVTMNM-ZIAGYGMSSA-N 307.400 4.926 30 20 DJED O=C1/C(=C\c2ccc3cnccc3c2)CSc2ccc(F)cc21 782307767 ZTCAWFMRPMXCDA-NVNXTCNLSA-N 321.376 4.746 30 20 DJED CC(C)(C)OCCCCON=C(c1ccccc1)C(F)(F)F 789082457 CTDIVTKHOWYQKR-UHFFFAOYSA-N 317.351 4.565 30 20 DJED C/C(=C/C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)c1ccccc1 797567151 YYUIWSNJDWXRSA-WVUXNXBLSA-N 324.449 4.720 30 20 DJED COc1cccc(/C=C2/C(=O)c3ccsc3S[C@H]2C)c1F 799891556 GJFZNQMBLZTMFB-KWINOFQJSA-N 320.410 4.656 30 20 DJED COCc1ccccc1/C=C(C)/C=C/C(=O)c1cccc(C#N)c1 814188950 ZCQUTDLMHSINPH-NJLIKGMNSA-N 317.388 4.547 30 20 DJED CC(C)c1ccc([C@H](C)NN=Cc2cccnc2Cl)cc1 814811353 BBJABMBRILRVSO-ZDUSSCGKSA-N 301.821 4.543 30 20 DJED C=CCCC[C@H](C)NC(=O)c1c(Cl)cccc1C(F)(F)F 889873696 KRMUITBMVJFTNT-JTQLQIEISA-N 319.754 4.833 30 20 DJED CCCOc1ccc(/C=C2/Cc3cc(C)ccc3C2=O)cc1OC 921264146 PFTLVWOQOACKMZ-BOPFTXTBSA-N 322.404 4.615 30 20 DJED C[C@H](OC(=O)Cc1ccc(C(C)(C)C)cc1)c1cccc(C#N)c1 1127021682 TWBJOFNSAYGFER-HNNXBMFYSA-N 321.420 4.703 30 20 DJED N#CCC[C@H](NC(=O)CC(C1CCC1)C1CCC1)c1ccccc1 1127379439 WXOQBDGYGMJMNH-FQEVSTJZSA-N 324.468 4.754 30 20 DJED Cc1cc(C#N)ccc1Oc1ccnc(-c2cccc(Cl)c2)n1 1162360948 IHJYWYCBPHCJBQ-UHFFFAOYSA-N 321.767 4.769 30 20 DJED C=C(Br)CN1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 1167477920 IWKUEEWYRHQKQR-CJNGLKHVSA-N 308.263 4.677 30 20 DJED Cc1cc(C)cc(CSCc2cn3ccccc3c2C#N)c1 1188927396 WBXQDBRWVPHCJP-UHFFFAOYSA-N 306.434 4.861 30 20 DJED Cc1nc(C#N)cc(Oc2ccc([C@H](C)c3ccccc3)cc2)n1 1306962582 TXVIICCDUFMKBF-CQSZACIVSA-N 315.376 4.601 30 20 DJED CCc1ccc(CSc2nc3c(cc2C#N)CCCC3)cc1 1307286433 HQJVIVYBJYMJEY-UHFFFAOYSA-N 308.450 4.687 30 20 DJED Cc1ccc(C)c([C@@H]2CCCN2Cc2ccc(F)cc2C#N)c1 1307582394 HHIJFCCWAFESHG-FQEVSTJZSA-N 308.400 4.651 30 20 DJED N#Cc1ccc(CN(Cc2cc(F)ccc2Cl)C2CC2)cc1 1307606729 PCOYERFQEDRJAT-UHFFFAOYSA-N 314.791 4.515 30 20 DJED COc1ccccc1C1(NCCC2(C#N)CCCCC2)CCC1 1307634241 ACMJLBKSTKCPCA-UHFFFAOYSA-N 312.457 4.528 30 20 DJED CC[C@H](C#N)[C@@H](OC(=O)[C@H](C)c1cccs1)c1cccs1 1343906312 PCDPCPYFKVHBKU-LALPHHSUSA-N 319.451 4.747 30 20 DJED CCC(CC)Oc1ccc(C(=O)Nc2cc(C#N)ccc2C)cc1 1457263257 CTRLNHNUHBBELE-UHFFFAOYSA-N 322.408 4.686 30 20 DJED N#Cc1cccc(OCc2ccc(Cl)c(C(F)(F)F)c2)c1 1472965562 CNVRKYUWTZDFEN-UHFFFAOYSA-N 311.690 4.809 30 20 DJED CC(C)c1ccc(CCC(=O)O[C@H](C)c2cccc(C#N)c2)cc1 1518199060 KCAHZGZOMKAYFW-MRXNPFEDSA-N 321.420 4.919 30 20 DJED Cc1cccc2nc([C@H](C#N)C(=O)[C@H](C)CC3CCCCC3)[nH]c12 1523852118 KIAGTJFZQNFTLH-GDBMZVCRSA-N 323.440 4.654 30 20 DJED C[C@@H](CCC1CCCCC1)NC(=O)CC1(C#N)CCCCC1 1531199533 UWFCBAMYXBBHBM-INIZCTEOSA-N 304.478 4.716 30 20 DJED CC[C@@H](C)c1ccc([C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)C)cc1 1540702502 PORKLTFYGIVHOP-KUHUBIRLSA-N 323.440 4.527 30 20 DJED Cc1cc(CN[C@@H](C)c2ccc3c(c2)CCCC3)ccc1C#N 1560433810 ZGLLMORMSLYKAQ-INIZCTEOSA-N 304.437 4.596 30 20 DJED CCc1ccc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1CC 1584414844 BXDFEXHUTUJKNU-HNNXBMFYSA-N 320.436 4.516 30 20 DJED N#Cc1ccc(N(C(=O)C2CCCCCCC2)C2CCC2)cc1 1588022533 SFQKWXQLZMHGGJ-UHFFFAOYSA-N 310.441 4.804 30 20 DJED C[C@H]1CCN(Cc2ccc(C#N)cc2Cl)[C@H](c2ccco2)C1 1615647527 BLKWLTVSSUWYCT-GUYCJALGSA-N 314.816 4.778 30 20 DJED CCC[C@@H]1CCc2ccccc2N1Cc1ccc(F)c(C#N)c1 1642163375 PGZXMBKDYKFSKL-GOSISDBHSA-N 308.400 4.819 30 20 DJED COc1cc(CN[C@@H]2CCC[C@@H](C(C)(C)C)CC2)ccc1C#N 1656099015 REPDJUHLYONHOW-QZTJIDSGSA-N 314.473 4.651 30 20 DJED Cc1c(C#N)cccc1NC(=O)N(C)c1ccc2ccccc2c1 1667872222 LCZXHFBBCMEKAZ-UHFFFAOYSA-N 315.376 4.688 30 20 DJED N#Cc1ccccc1CN(Cc1cccs1)Cc1cccs1 16396844 NBVDBIMWEBVAJJ-UHFFFAOYSA-N 324.474 4.884 30 20 DJED N#Cc1ccccc1Oc1ccc(NC(=O)CC2CCCC2)cc1 65680132 UVJFLDYKAZOKGN-UHFFFAOYSA-N 320.392 4.869 30 20 DJED CC(C)(C#N)CCN1CCC[C@@H]1c1cccc(Br)c1 157738025 MHYYKLLWQXNVQD-OAHLLOKOSA-N 321.262 4.526 30 20 DJED O=C(/C=C/c1cccc(-c2ccccn2)c1)c1ccccc1F 158674784 APPYYAOFUVFMFF-VAWYXSNFSA-N 303.336 4.784 30 20 DJED N#CCCCOc1cccc(CNc2ccc3ncccc3c2)c1 159125086 HDGRGICURRUCBZ-UHFFFAOYSA-N 317.392 4.529 30 20 DJED Cc1c(C(=O)/C=C\c2ccc(O)c(Cl)c2)oc2ccccc12 214122784 HGVVCLDAQTYMQJ-CLFYSBASSA-N 312.752 4.996 30 20 DJED N#Cc1ccc(NCc2cc(Br)ccc2Cl)cc1 230572461 OHWLYHYFMAYUTI-UHFFFAOYSA-N 321.605 4.586 30 20 DJED N#Cc1sc(Oc2ccc(Cl)cc2Cl)nc1Cl 310396474 MCZAQENBUUEVLA-UHFFFAOYSA-N 305.573 4.767 30 20 DJED CCc1ccc2c(c1)[C@H](CC/N=C(/O)C1CCCCC1)C(O)=N2 328927304 FRXAHPDKWNEDDW-HNNXBMFYSA-N 314.429 4.861 30 20 DJED CC1(C)CCC[C@@H](C(O)=Nc2nc(C3CCOCC3)cs2)C1 329219141 SGCVLHPAKOTXIM-CYBMUJFWSA-N 322.474 4.842 30 20 DJED Cc1nc(C(C)C)oc1/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@H]2C1 330281163 UGJPMBMCUFPKBU-SOUVJXGZSA-N 304.434 4.770 30 20 DJED N#Cc1ccccc1NCc1cccc(OCc2ccccc2)c1 380077865 RONICYVHMMNGSJ-UHFFFAOYSA-N 314.388 4.749 30 20 DJED CC(C)COc1ccc([C@H](C)Nc2ccc(OCC#N)cc2)cc1 391841575 XYYLCFYWDXDHJO-INIZCTEOSA-N 324.424 4.797 30 20 DJED C=CC[C@@H](CC)NC(=O)CC(c1ccccc1)c1ccccc1 410131423 RFLXOOIAOZCQAM-LJQANCHMSA-N 307.437 4.680 30 20 DJED COc1ccc([C@H](C)N[C@H](CCC#N)c2ccccc2)c(C)c1 414087312 ADNMJZFQWQLRDV-OXJNMPFZSA-N 308.425 4.699 30 20 DJED C[C@@H](NCc1ccc(C#N)s1)c1ccc(OC(C)(C)C)cc1 421888651 UEBBZGDSEMMEAJ-CYBMUJFWSA-N 314.454 4.648 30 20 DJED CC(C)(C#N)CCCCN(Cc1ccc(F)cc1F)C1CC1 444597154 MMSGXXPCPRSROZ-UHFFFAOYSA-N 306.400 4.649 30 20 DJED CSCC1CCC(N[C@H](CCC#N)c2ccccc2)CC1 449202225 JOJNNTCNEWHTIF-VMWRSERWSA-N 302.487 4.543 30 20 DJED C[C@H](N[C@@H](C)c1cc2ccccc2o1)c1ccc(C#N)c(F)c1 467375091 BAISLWRYIRIRRG-STQMWFEESA-N 308.356 4.855 30 20 DJED C=CCCC1(C(=O)NC2CC(c3ccc(F)c(Cl)c3)C2)CC1 467872241 SLENTWYHXZQKIN-UHFFFAOYSA-N 321.823 4.588 30 20 DJED C=CCN(Cc1ccc(F)c(C#N)c1)Cc1ccc(Cl)s1 468269154 DDUOVVJQVQRHBP-UHFFFAOYSA-N 320.820 4.600 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(F)cc(F)c1 471178355 RBWZVRJZAXBMFC-UHFFFAOYSA-N 316.351 4.575 30 20 DJED CC(C)[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1 474417379 UNEIIPJUKHPQQM-PZJWPPBQSA-N 320.436 4.587 30 20 DJED CCC[C@H](C)N(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 482988088 OTQVSPACCGIFNX-HNNXBMFYSA-N 322.408 4.611 30 20 DJED CC(C)CCn1ncc(NCc2cccc(C#N)c2)c1C(C)C 486875377 UUJSOUQRPLQFLF-UHFFFAOYSA-N 310.445 4.536 30 20 DJED Cc1ccc(-c2csc(CNc3ccc(F)c(C#N)c3)n2)cc1 506257164 BCCFQUFCJUYFSM-UHFFFAOYSA-N 323.396 4.741 30 20 DJED CC[C@H](C)CCC(=O)Nc1ccccc1SC[C@@H](C)C#N 511879296 OMFOBTUXPJGKIM-KBPBESRZSA-N 304.459 4.703 30 20 DJED C[C@@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)[C@@H]2CCCC[C@H]12 526981153 LWDXZRXPNXBBST-GSEOLPGOSA-N 324.468 4.501 30 20 DJED C=C[C@H](CC(=O)N[C@@H](c1cccs1)C1CC1)c1ccccc1 533886680 TXKBOJSAAZNFEX-AUUYWEPGSA-N 311.450 4.675 30 20 DJED C=CCCC[C@H](C)NC(=O)CCC(=O)c1ccc2ccccc2c1 539432808 FYWQVVOWOANWBZ-INIZCTEOSA-N 323.436 4.664 30 20 DJED C=CCC[C@H](NCCC(=O)Nc1ccccc1C)c1ccccc1 540456215 GYTLOWAZOLSXTO-FQEVSTJZSA-N 322.452 4.621 30 20 DJED C=C(C)[C@H](NCc1ccc(F)cc1C)c1ccc(F)c(F)c1 547512688 AZAGSRHVNDRQPO-SFHVURJKSA-N 305.343 4.819 30 20 DJED C=CCC(C)(C)C(=O)Nc1ccc(COCc2ccccc2)cc1 551420462 CCENKYMQDBKLCQ-UHFFFAOYSA-N 323.436 4.944 30 20 DJED CCC(C)(C)C1CCC(CC(=O)N2CCC(CC#N)CC2)CC1 569711145 OXQYJFGFKXTCLY-UHFFFAOYSA-N 318.505 4.771 30 20 DJED CC[C@@H](c1cccc(OC)c1)N(C)CCCCC(C)(C)C#N 580672884 QDEOPCDJBJGDHX-SFHVURJKSA-N 302.462 4.798 30 20 DJED CCCOc1ccc(CN[C@H](CCC#N)c2ccccc2)c(C)c1 594958321 PTCRVRIVDVWDGL-OAQYLSRUSA-N 322.452 4.919 30 20 DJED Cc1ccccc1[C@H](C)c1noc(CC2(C#N)CCCCC2)n1 596596280 MJIJSSDHJPYDLJ-HNNXBMFYSA-N 309.413 4.546 30 20 DJED CCC(C)(C)c1ccc(NC(=O)N2CCC[C@H](CC#N)C2)cc1 596880935 MDOFVKZTZVKNPK-OAHLLOKOSA-N 313.445 4.532 30 20 DJED C=CCN(CC=C)C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 607780846 WURRIUDXGBVEQJ-OAQYLSRUSA-N 319.448 4.604 30 20 DJED C=CCCC(C)(C)NC(=O)Nc1cccc(-c2nc(C)co2)c1 666325755 MJEKKASHKMYCHB-UHFFFAOYSA-N 313.401 4.516 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(Br)s1)C2 730948290 BRPWCJRCICINFE-DHZHZOJOSA-N 319.223 4.641 30 20 DJED C=C(C)CN[C@@H](c1ccc(OC)cc1)c1ccccc1Cl 739905120 VKWWTCUMSGCTPX-SFHVURJKSA-N 301.817 4.604 30 20 DJED Cc1cccc(F)c1CNc1ccc(C#N)cc1C(F)(F)F 742419692 NDRURFSGHMXRSF-UHFFFAOYSA-N 308.278 4.637 30 20 DJED C[C@@H](C(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)s1 750204739 LFDZNILTHSXUBT-GHMZBOCLSA-N 319.813 4.681 30 20 DJED COc1cc(C)c([C@@H](C)N[C@H](C)c2cccc(C#N)c2)cc1C 753661010 BUTPBDQGMWLFGD-HZPDHXFCSA-N 308.425 4.596 30 20 DJED CC(C)[C@H](CN[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 776154127 NSPLRMZTLVJSSA-UWJYYQICSA-N 322.452 4.679 30 20 DJED C[C@H](Nc1ccc(Br)cc1)c1ccc(C#N)c(F)c1 777541655 ZBCKZUKRKYQQMM-JTQLQIEISA-N 319.177 4.633 30 20 DJED CC(C)(C#N)CCCOC(=O)CCC(C)(C)c1ccccc1 784364493 CMYBAPDSUCOURB-UHFFFAOYSA-N 301.430 4.618 30 20 DJED O=C(/C=C/c1ccc(-c2cccc(F)c2)s1)c1cncs1 787172384 LGTIBOWDGWLRLD-GQCTYLIASA-N 315.394 4.907 30 20 DJED O=C(/C=C\c1ccc(OCC2CC2)cc1)c1cccc(F)c1F 790225720 UGJDGPXCJFAFEY-FLIBITNWSA-N 314.331 4.650 30 20 DJED CC[C@@H](Nc1nc(Cl)c(C#N)s1)c1ccc(F)cc1F 804468590 TWZRQXLPRRZLLK-SNVBAGLBSA-N 313.760 4.510 30 20 DJED N#CCCCCCC(=O)OCc1ccc(Cl)cc1Cl 805695565 AABCKPHKBGDRRF-UHFFFAOYSA-N 300.185 4.511 30 20 DJED C#CC[C@H](OC(=O)c1cc2cccc(C)c2s1)c1ccccn1 808983716 WKWHSMSBXSHEDR-INIZCTEOSA-N 321.401 4.526 30 20 DJED C#Cc1ccc(CN[C@@H](c2ccccc2)c2ccc(F)cc2)cc1 809611259 XNKDTMMLNXXZGU-QFIPXVFZSA-N 315.391 4.686 30 20 DJED CC(C)(C)c1cc(NC(=O)C2(F)CCCCC2)c(C#N)s1 813093195 HILKEDSEUYBLNI-UHFFFAOYSA-N 308.422 4.528 30 20 DJED Cc1c(C(=O)/C=C\c2ccc(Cl)cc2)cnn1-c1ccccc1 818251909 BEVRSABLKHTAKB-XFXZXTDPSA-N 322.795 4.730 30 20 DJED CCOc1cccc2cc(C(C)=NNc3ccc(C#N)cc3)oc12 915962682 PBFZZAFWYDXWLC-UHFFFAOYSA-N 319.364 4.539 30 20 DJED Cc1ccc(-c2nc(/C=C3\Cc4ccccc4C3=O)cs2)cc1 918713534 NFUIZZLKWCCMJW-LFIBNONCSA-N 317.413 4.941 30 20 DJED CCCCCCCCC(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1 920299297 ZTVZCHSDBWIGGE-IEBWSBKVSA-N 317.473 4.726 30 20 DJED CCc1cnc(SCc2ccc(-c3ccccc3C#N)cc2)[nH]1 1165833059 UHEIXEDBRJZNDQ-UHFFFAOYSA-N 319.433 4.803 30 20 DJED COc1ccc(CSCc2ccc(F)cc2C#N)cc1Cl 1166139869 FUKHJEXGFSTHIX-UHFFFAOYSA-N 321.804 4.793 30 20 DJED C[C@@H]1CCCCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 1169394924 ASSYJAIVHIKYLS-QGZVFWFLSA-N 304.437 4.847 30 20 DJED CCCCc1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)cc1 1264297545 KDPMYDJXXLOMRG-UHFFFAOYSA-N 312.800 4.807 30 20 DJED Cc1cccnc1[C@@H]1CCC[C@H](Nc2cc(F)cc(C#N)c2)C1 1308900495 FZNPRZGLZWDXCQ-WBVHZDCISA-N 309.388 4.539 30 20 DJED CC(C)(C)c1ccc(NN=C2CCC[C@H]2c2ccccc2)nn1 1318626103 MSOIBBJGBYJVKN-HNNXBMFYSA-N 308.429 4.510 30 20 DJED CCC(C)(C)C1CCC(NC(=O)c2cccc(C#N)c2C)CC1 1357915712 LWFVGOZWBFIQSK-UHFFFAOYSA-N 312.457 4.592 30 20 DJED N#Cc1cnc(N2CCC[C@@H]2CC2CCCCC2)c(Cl)c1 1458146495 SIBZPQYLQASFFX-OAHLLOKOSA-N 303.837 4.546 30 20 DJED Cc1ccccc1[C@H](Nc1ncc(Cl)c(C)c1C#N)C1CC1 1458174404 DVLQAGBKERJDLA-QGZVFWFLSA-N 311.816 4.787 30 20 DJED CCOc1cc(C#N)ccc1OCc1ccc(CC(C)C)cc1 1458780877 RRFHHDLXBDIQPK-UHFFFAOYSA-N 309.409 4.734 30 20 DJED CC(C)[C@H]1CCc2c(sc(NC(=O)C3CCCC3)c2C#N)C1 1527277257 JAYAARIAOGJEQQ-ZDUSSCGKSA-N 316.470 4.509 30 20 DJED CC(C)(C)CN(Cc1ccccc1)Cc1ccc(F)cc1C#N 1641734780 QBFQWBNXYPTKMA-UHFFFAOYSA-N 310.416 4.746 30 20 DJED C[C@@H](Sc1ccnc(C#N)c1)c1cccc(C(F)(F)F)c1 1651279979 CCQZNJGTKZDSBZ-SNVBAGLBSA-N 308.328 4.825 30 20 DJED CC(C)(C#N)CCCN1CCC(Cc2c(F)cccc2F)CC1 1654707367 PRIQUMVVCHOLOA-UHFFFAOYSA-N 320.427 4.549 30 20 DJED CC(C)(C)[C@H]1CCC[C@H](NCc2cccc(OCC#N)c2)CC1 1657211251 XOCWISCPMLPGCD-ROUUACIJSA-N 314.473 4.674 30 20 DJED N#CC1(CCNC2(c3ccc(Cl)cc3)CC2)CCCCC1 1659084326 QBWBXJCSBYUBMP-UHFFFAOYSA-N 302.849 4.783 30 20 DJED CC(C)(C)[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2)c2ccccc21 1666342351 BSRGWQRLXKNKAZ-QGZVFWFLSA-N 319.408 4.740 30 20 DJED Cc1cccc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)c1 7165077 FWSBEPSBLOEOKF-WJDWOHSUSA-N 322.433 4.503 30 20 DJED COc1ccc(C(=O)/C=C/c2ccc(C#N)cc2)c2ccccc12 7353073 PXBGTFZEHXMDAC-ZRDIBKRKSA-N 313.356 4.616 30 20 DJED N#Cc1ccccc1CNc1ccc(-c2ccccc2)cc1F 25715173 FWZYBJGOLIQKEE-UHFFFAOYSA-N 302.352 4.976 30 20 DJED O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 33432353 XQOCAPRPFHAHGS-GHXNOFRVSA-N 303.317 4.644 30 20 DJED C=CCn1c(C)nnc1S[C@H](C)c1ccc2ccccc2c1 59832539 FUPDVBFCLXZLBC-CYBMUJFWSA-N 309.438 4.779 30 20 DJED CCc1ccc([C@@H](NCc2cccc(OCC#N)c2)C(C)C)cc1 124089633 MMHATQYCTSASSW-NRFANRHFSA-N 322.452 4.638 30 20 DJED C[C@@H](c1nc2ccccc2s1)N(C)CC(C)(C)CCC#N 179734835 IEOCOLPFJUFCQO-ZDUSSCGKSA-N 301.459 4.619 30 20 DJED C[C@@H](NCc1ccc(F)cc1C#N)c1cccc(Cl)c1Cl 183765320 SSKYOZLFZHEDNP-SNVBAGLBSA-N 323.198 4.855 30 20 DJED Cc1ccsc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 264570599 UNJBHMIXWVRRDF-NSHDSACASA-N 316.451 4.561 30 20 DJED C[C@H](Nc1ccc(Nc2ccc(C#N)cn2)cc1)c1ccccc1 301141722 IONOVYSVBQRADV-HNNXBMFYSA-N 314.392 4.870 30 20 DJED CCC(C)(C)C1CCC(NCc2cccc(OCC#N)c2)CC1 319997472 LLKIKOPIAWWOBM-UHFFFAOYSA-N 314.473 4.674 30 20 DJED Cc1noc(C)c1C[C@H](C)/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 329172162 KYFUMWUIEINGLY-KKBVYLPWSA-N 318.461 4.785 30 20 DJED N#Cc1cccc(CNc2cccc(Oc3ccccc3)c2)c1 390749995 YPKFASKCGKRVMF-UHFFFAOYSA-N 300.361 4.963 30 20 DJED CCCC[C@H](C)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 410092991 GCKVMXIYVWOMED-HZMBPMFUSA-N 313.228 4.501 30 20 DJED CC(C)(C)[C@H]1CCCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 432309348 ZEZWHUBNOCKELL-ZDUSSCGKSA-N 319.836 4.502 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1cc2sc(C)nc2cc1Cl 439399939 FJIOSZFZYGNDHX-SNVBAGLBSA-N 323.849 4.734 30 20 DJED CC(C)(C#N)CCCCN1CCC[C@@H]1Cc1ccc(F)cc1 444598532 QZAOFKRPSJGROL-GOSISDBHSA-N 302.437 4.553 30 20 DJED CC1(C#N)CCC(NC(c2ccccc2)c2ccccc2)CC1 449061257 IBJONAGGCMKGIJ-UHFFFAOYSA-N 304.437 4.838 30 20 DJED Cc1cc(CNC2CCC(C)(C#N)CC2)c2[nH]c(C)c(C)c2c1 449131527 NIRBEJDGHJYYJC-UHFFFAOYSA-N 309.457 4.655 30 20 DJED N#CCc1ccc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)c(Cl)c1 452645164 NOPVRVUBSUMRGL-GJZGRUSLSA-N 316.832 4.561 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)C(C)(F)F 455245265 LFFHNRGLWACMEB-GFCCVEGCSA-N 310.388 4.704 30 20 DJED C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C 468006763 UQBJAPHFQQHBRK-DJJJIMSYSA-N 315.413 4.529 30 20 DJED C=CCn1c(S[C@@H]2C=CCCC2)nnc1-c1cccc(C)c1 517476374 QFLMFWXHYNYEHN-MRXNPFEDSA-N 311.454 4.640 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CCCC[C@H]1C 518881100 ZKPDVLHVFPKMFV-APWZRJJASA-N 312.457 4.512 30 20 DJED C=CCN(C(=O)c1cc2sc3ccccc3c2s1)C1CC1 537931987 QETPECXNBHJERO-UHFFFAOYSA-N 313.447 4.907 30 20 DJED C=C[C@@H](Cc1nc([C@@H]2CCCCS2)no1)c1ccccc1 545808991 VFJUTNJWKWBPGI-ZFWWWQNUSA-N 300.427 4.540 30 20 DJED C=C[C@@](C)(CC)C(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 558117505 XPKAHFJAGBTVPD-RDJZCZTQSA-N 323.889 4.635 30 20 DJED N#Cc1ccc(Oc2ncnc3sccc23)c2ccccc12 578518196 WQELJYZNOHLRCQ-UHFFFAOYSA-N 303.346 4.508 30 20 DJED Cc1cc([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc(C)c1F 580907147 GOBWAZDRRUAKRV-HNNXBMFYSA-N 308.400 4.654 30 20 DJED Cc1csc(NC(=O)c2cc3ccc(F)cc3s2)c1C#N 589034459 IHKJVSBAGXGPNY-UHFFFAOYSA-N 316.382 4.534 30 20 DJED CCC[C@H](C(=O)NCC(C)(C)CCC#N)c1ccc(Cl)cc1 597657578 BAPSTPPMNBDJGT-INIZCTEOSA-N 320.864 4.670 30 20 DJED COCCCCCSc1nc(-c2ccccc2)ccc1C#N 609722312 LEWRLVCWFFPNAD-UHFFFAOYSA-N 312.438 4.529 30 20 DJED CCCC[C@@H](CC)CC(=O)Nc1sc2c(c1C#N)CCC2 609753555 BSIYNTUYZQBLLV-GFCCVEGCSA-N 304.459 4.653 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCCc2ccc(Cl)cc21 618805264 NKPJFCLPZSVRLA-PMACEKPBSA-N 322.839 4.866 30 20 DJED CC(=NNc1ccc(Br)cc1)c1ccc(F)cc1C 731314093 ZPNQHYBSZNXDBH-UHFFFAOYSA-N 321.193 4.733 30 20 DJED N#Cc1cccc(Oc2ccc(NC(=O)C=C3CCCC3)cc2)c1 731331524 HXDJJAMLSVSPCC-UHFFFAOYSA-N 318.376 4.789 30 20 DJED C#CCOc1ccc(CN[C@@H](CC)c2cccc(Cl)c2)cc1 733324661 RKRPQYRSMCABQJ-IBGZPJMESA-N 313.828 4.593 30 20 DJED CC(=NNc1cccc(C(F)(F)F)n1)c1cc(C)ccc1C 739421476 JOISJVALGWQGFJ-UHFFFAOYSA-N 307.319 4.553 30 20 DJED O=C(/C=C/c1cnc2ccccn12)c1cc2cc(Cl)ccc2o1 740670348 WCXZIKBHYKXEAG-AATRIKPKSA-N 322.751 4.630 30 20 DJED COc1cccc(/C=C/C(=O)c2ccc(-c3ccncc3)cc2)c1 745990186 MYODIVBIYTUJOR-BJMVGYQFSA-N 315.372 4.653 30 20 DJED Cc1csc([C@H](C#N)C(=O)C[C@@H]2C[C@@H](C)c3c(C)cccc32)n1 753890839 BFRJPORWDMMKPE-IVMMDQJWSA-N 324.449 4.617 30 20 DJED CC1(C)CCC/C(=C\c2ccccc2OCc2cccnc2)C1=O 757535503 VLBYXJNIEMEBJM-QGOAFFKASA-N 321.420 4.823 30 20 DJED COc1cc(F)cc(NN=C(C)c2sc(C(C)C)nc2C)c1 759212191 AMJHMWYZBJWLIU-UHFFFAOYSA-N 321.421 4.559 30 20 DJED CC(=NNc1c(Cl)cccc1Cl)c1nc(C)sc1C 763188546 QYYBQMHYOVZGTO-UHFFFAOYSA-N 314.241 4.903 30 20 DJED C#CCOc1ccc([C@@H](C)N[C@@H](c2ccccc2)C2CC2)cc1 764742233 DGCJCZMNKLYAHY-IERDGZPVSA-N 305.421 4.501 30 20 DJED Clc1ccc([C@H]2CCCC2=NNc2ncccn2)cc1Cl 776184946 BSIDNEAIHAEWSQ-LLVKDONJSA-N 321.211 4.519 30 20 DJED C[C@H](C(=O)O[C@H](C#N)C1CCCCC1)c1ccc(Cl)s1 776394393 WZOMEVLNTROJMO-CMPLNLGQSA-N 311.834 4.521 30 20 DJED CC(C)Oc1ccc(NCc2nccc3ccccc23)cc1C#N 779603529 GLDKKBSSQBTWMO-UHFFFAOYSA-N 317.392 4.506 30 20 DJED CCCCCCCCC(=O)N[C@@H](C)[C@@H]1CCCN(C2CCC2)C1 781198775 FPBNXUHCWOZNRI-ZWKOTPCHSA-N 322.537 4.506 30 20 DJED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1cc(Cl)cs1 782341433 JLPWKPDOURAGRX-SNAWJCMRSA-N 307.758 4.514 30 20 DJED Cc1c(C(=O)/C=C/c2ccc(Cl)s2)cnn1C(C)(C)C 787186849 OJUMMSFWVXJQLF-FNORWQNLSA-N 308.834 4.558 30 20 DJED CC(C)Cc1cccc([C@H](C)NCc2ccc(OCC#N)cc2)c1 796821729 VLOISTCXPKOHPZ-KRWDZBQOSA-N 322.452 4.638 30 20 DJED CC[C@@](C)(C#N)C(=O)OCc1sc2ccccc2c1Cl 796851478 AZLKUJWSNYCRAX-HNNXBMFYSA-N 307.802 4.538 30 20 DJED CC[C@@H]1CCCC[C@H]1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797567442 IGNRGAGMOXLYSF-MGPQQGTHSA-N 318.486 4.833 30 20 DJED C#Cc1ccc(CNc2cc(-c3nc(C)co3)ccc2C)cc1 809601061 RTQCABPAIBFKBP-UHFFFAOYSA-N 302.377 4.552 30 20 DJED C#Cc1ccc(CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 809629542 UJRNYGPGNDLFJQ-KRWDZBQOSA-N 321.317 4.590 30 20 DJED C=CCCCCOC(=O)c1coc(-c2ccccc2Cl)n1 811009867 DCJYYFAECNGIPI-UHFFFAOYSA-N 305.761 4.508 30 20 DJED C=C(Cl)COc1ccc([C@H](C)NCC2CC(F)(F)C2)cc1 813872993 MNZUSILGVFCGEP-LBPRGKRZSA-N 315.791 4.514 30 20 DJED C=CCC(F)(F)C(=O)N(C1CC1)[C@@H](C)c1ccccc1Cl 815085212 OJWNLGKVDWCBEL-NSHDSACASA-N 313.775 4.603 30 20 DJED Cc1cc(Cl)cc(CNc2ccccc2O[C@H](C)C#N)c1 815134919 LQACJOMLROTKHQ-CYBMUJFWSA-N 300.789 4.551 30 20 DJED C#Cc1cccc(NC(=S)Nc2c(CC)cccc2CC)c1 844257197 UOBIWIHUTXSKNM-UHFFFAOYSA-N 308.450 4.602 30 20 DJED COCc1csc(/C=C2\C(=O)c3cccc4c3[C@H]2CCC4)c1 849247752 XIGCYEPMVYZEFF-MBBOSUJBSA-N 310.418 4.594 30 20 DJED C=CC[C@H](N[C@H]1CCc2cc(F)c(Cl)cc21)c1ccncc1 858366090 XGMIWTJCGXGAIC-ROUUACIJSA-N 316.807 4.768 30 20 DJED O=C1/C(=C\c2scnc2C2CC2)Cc2cc(F)c(Cl)cc21 863194257 FZYBSYQQVLIUPD-YHYXMXQVSA-N 319.788 4.635 30 20 DJED C(=NNc1nncc2ccccc12)c1ccccc1-c1ccccc1 917531641 DYCGKHUOLJYPBE-UHFFFAOYSA-N 324.387 4.743 30 20 DJED Cc1ccccc1C(=O)/C=C\c1ccc(OCC(F)(F)F)cc1 921261133 IZYWSHDBZBZFOL-FLIBITNWSA-N 320.310 4.832 30 20 DJED C[C@H](Nc1ncccc1C#N)c1ccc(-c2ccc(F)cc2)cc1 1162837553 CPUZJCGPYBSYQT-AWEZNQCLSA-N 317.367 4.932 30 20 DJED Cc1cc(C)c2nc(N(C)[C@H](C)c3cccc(C#N)c3)sc2c1 1163558543 BTGWRXTVVUAOSL-CQSZACIVSA-N 321.449 4.982 30 20 DJED Cc1ccc(-c2ccccc2CN(CCC#N)CCC#N)c(C)c1 1180430039 KNCPCDIMCPWCAE-UHFFFAOYSA-N 317.436 4.600 30 20 DJED Cc1cc(CN(C)[C@H](C)c2cccc(C#N)c2)cc2cccnc12 1182500896 WVRGWGHFOXATJF-MRXNPFEDSA-N 315.420 4.608 30 20 DJED N#Cc1ccc(CCN2CC3(CCCC3)[C@H]2c2ccccc2)cc1 1194914667 PIVKGTKCYDKJMF-OAQYLSRUSA-N 316.448 4.718 30 20 DJED CCN(c1ccc(C#N)c(Cl)c1)C(=O)[C@H]1CC[C@H](CC)CC1 1266274534 SULNJTLMITVJHE-HDJSIYSDSA-N 318.848 4.781 30 20 DJED CCC[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)C1CCCC1 1275597295 PGQKIXFGXCEABS-RTBURBONSA-N 312.457 4.549 30 20 DJED N#Cc1cc(Cl)ccc1NCCc1coc(-c2ccccc2)n1 1318416520 ORQSUPDAJQYIRN-UHFFFAOYSA-N 323.783 4.521 30 20 DJED CCCCOc1ccc([C@@H](C)Nc2ccc(OCC#N)cc2)cc1 1323393745 ZRYPTODMAQYWDC-MRXNPFEDSA-N 324.424 4.941 30 20 DJED C=C(CC)C(=O)N(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 1349027941 PVNSBDIBVMZRHW-MRXNPFEDSA-N 323.436 4.848 30 20 DJED CC(C)(C)CN(Cc1ccccc1)Cc1cccc(C#N)c1F 1459471736 WPUFOQJJBNLEMD-UHFFFAOYSA-N 310.416 4.746 30 20 DJED N#CC[C@@H](C(=O)N[C@H](C1CCCCC1)C1CCC1)c1ccccc1 1461142585 WKBVQYNVJMNTOR-WOJBJXKFSA-N 324.468 4.549 30 20 DJED N#Cc1ccc(CNCc2ccc(C3CCCC3)cc2)cc1F 1474580223 UKTQGPSKLJLQKM-UHFFFAOYSA-N 308.400 4.645 30 20 DJED N#CC1(CN[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CCC1 1474585259 NOHUWURHASGPOU-JKSUJKDBSA-N 322.374 4.625 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1cccc(C(C)(C)C)c1 1526210271 VSEUZZMWFLLKEQ-HNNXBMFYSA-N 320.436 4.689 30 20 DJED CCC(CC)C(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@@H]2C 1526732732 VESHKWXQGISFFX-MNOVXSKESA-N 304.459 4.680 30 20 DJED CC(C)c1cccc(C(=O)N(C)c2ccc(C#N)c(Cl)c2)c1 1531509664 RSFOTONBBYGCAX-UHFFFAOYSA-N 312.800 4.612 30 20 DJED Cc1cccc(C2(CNc3nc(C)ccc3C#N)CCCCC2)c1 1559072723 DUELGVPNXFLSIK-UHFFFAOYSA-N 319.452 4.884 30 20 DJED CC[C@H](CNc1cccc(F)c1C#N)Oc1cccc(Cl)c1 1559130775 VGZBXIMLHARPAH-CYBMUJFWSA-N 318.779 4.620 30 20 DJED C[C@H](CC(=O)N(C)c1ccc(C#N)c(Cl)c1)CC(C)(C)C 1596377067 VEYWVEJJXNWLBE-GFCCVEGCSA-N 306.837 4.637 30 20 DJED C=C(CNC(=O)N1c2ccccc2C(C)(C)[C@@H]1C)c1ccccc1 1635923870 ZGEVBOAIOQXGQQ-INIZCTEOSA-N 320.436 4.596 30 20 DJED N#Cc1cc(F)ccc1CN1CCCCC[C@H]1c1ccccc1 1641653185 HBOKNHISSDARMN-FQEVSTJZSA-N 308.400 4.815 30 20 DJED CC[C@@H](CSc1nc2c(cc1C#N)CCCC2)CC(F)F 1643615468 LMNBXDSEHMYIEV-LLVKDONJSA-N 310.413 4.606 30 20 DJED N#Cc1cnc(Nc2cccc(Nc3ccccc3)c2)c(F)c1 1650373281 RJLVHBIBPBYNFW-UHFFFAOYSA-N 304.328 4.580 30 20 DJED CC(C)(C)C[C@@H]1C[C@H]1Nc1ccc(C#N)c(Br)c1 1651217441 QIGJUHXDQFZSON-SMDDNHRTSA-N 307.235 4.557 30 20 DJED Cc1cc(N[C@@H]2CCC[C@H](C)C2)n2c(nc3ccccc32)c1C#N 1654962792 BEJWTVPPSJPUOB-DZGCQCFKSA-N 318.424 4.658 30 20 DJED C=C(CNCc1cccc(Cl)c1OCC)c1ccccc1 1657110848 CZBYUQCWGTTZDH-UHFFFAOYSA-N 301.817 4.542 30 20 DJED CC[C@@H](C)c1ccc(/C=C/C(=O)c2ccc(CC(=O)O)cc2)cc1 1776698205 HXLVYSFAXVXUDH-XETPBLJFSA-N 322.404 4.723 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1cc(C)cc(C)c1 43274865 OKKFTKQHWXFIIB-UHFFFAOYSA-N 300.427 4.585 30 20 DJED C[C@@H](C#N)Oc1ccccc1N[C@@H]1CCC[C@H](C(F)(F)F)C1 129642778 MOMFRPDTUAASJJ-RWMBFGLXSA-N 312.335 4.510 30 20 DJED CCCNc1ccc(CN[C@@H](CC)c2ccc(C#N)cc2)cc1 278735765 NBWISHBUWZQRNU-FQEVSTJZSA-N 307.441 4.621 30 20 DJED CCCOc1ccc([C@H](C)Nc2ccc(C#N)cc2)cc1OC 301064117 BWQUWKSZBBIXFU-AWEZNQCLSA-N 310.397 4.529 30 20 DJED COc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)c(F)c1 301492328 FVTMCWYIBZGOAE-RUDMXATFSA-N 324.273 4.749 30 20 DJED CC[C@@H](C)C[C@@H](C)Nc1cc(Br)c(C#N)cc1F 310658126 RPXBMYYFJVRMBA-NXEZZACHSA-N 313.214 4.696 30 20 DJED C=CCCC1(C(=O)Nc2ccc(-c3csc(C)n3)cc2)CC1 353813947 JIUBKKLGJXKNAD-UHFFFAOYSA-N 312.438 4.803 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1cnn(CCC(C)C)c1C(C)C 439413533 SXMVSYRJSUISCE-HNNXBMFYSA-N 320.481 4.529 30 20 DJED CSc1ccc([C@@H](C)NCc2ccc(C#N)cc2Cl)cc1 439463074 AOVIKRZVCMXUPH-GFCCVEGCSA-N 316.857 4.784 30 20 DJED N#C[C@H]1CC[C@H](Nc2ccc(COCc3ccccc3)cc2)C1 442852786 ILNIKPNQEPRDPQ-ICSRJNTNSA-N 306.409 4.508 30 20 DJED C[C@@H](Sc1ccc(Br)cn1)c1cccc(C#N)c1 442918137 ISKOPWHYJMFBHM-SNVBAGLBSA-N 319.227 4.569 30 20 DJED N#CCC[C@H](Nc1ccc2c(Cl)cccc2n1)c1ccccc1 443496120 CLTHJMUMNMTDOC-KRWDZBQOSA-N 321.811 5.345 30 20 DJED C=CC[C@H]1N(C(=O)Nc2ccc(OC)cc2C)CCCC1(C)C 444900213 RDKXRGMWBLMGGL-QGZVFWFLSA-N 316.445 4.602 30 20 DJED C=CCC(CC=C)C(=O)N(CC)c1cccc(Br)c1 467819072 KXOCWRJRNOHOFQ-UHFFFAOYSA-N 322.246 4.570 30 20 DJED C[C@H](c1ccc(F)cc1)N(C)Cc1ccc(Cl)cc1C#N 480518448 ACGLEYYONVIDFI-GFCCVEGCSA-N 302.780 4.544 30 20 DJED C[C@H](NCc1ccc(Cl)cc1C#N)c1c(F)cccc1Cl 480882978 ZQMLDDHCSGRBSA-JTQLQIEISA-N 323.198 4.855 30 20 DJED C=C(C)[C@@H](NCCCCC(F)(F)F)c1ccc(F)c(F)c1 481610234 AEJRNQAZSVXDQL-CQSZACIVSA-N 307.306 4.904 30 20 DJED C=CCC(CC=C)C(=O)Nc1cnn(C(CC)CC)c1CC 482715885 QVDBMTAVSNYUNN-UHFFFAOYSA-N 303.450 4.514 30 20 DJED C[C@H](N[C@H](C)c1ccccc1Cl)c1ccc(C#N)c(F)c1 488485429 WFLJVZYRPYUPSP-NWDGAFQWSA-N 302.780 4.763 30 20 DJED C=C[C@@H]1CCCCN1C(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 488879955 PRHQYRYRNDJFBP-QRVBRYPASA-N 321.505 4.709 30 20 DJED N#Cc1ccc(CN(C2CC2)[C@@H]2CCCc3ccccc32)s1 507999467 PGPBABXQOLFPGV-LJQANCHMSA-N 308.450 4.662 30 20 DJED Cc1cc(C)c(NC(=O)[C@H](C)Sc2ccc(C#N)cc2)c(C)c1 531761240 RHLOIYKWDHSTIC-HNNXBMFYSA-N 324.449 4.603 30 20 DJED C=C[C@H](CC(=O)Nc1ccc(O)c2ccccc12)c1ccccc1 536313301 MXWBHGMICCOFON-OAHLLOKOSA-N 317.388 4.844 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)N1CCC(CCC#N)CC1 574760507 QUNVRICZHFXGSG-GOSISDBHSA-N 304.478 4.525 30 20 DJED C[C@@H](NCc1c(Cl)ccc2cccnc12)c1cccc(C#N)c1 611388288 NANUODDINZUHDV-CYBMUJFWSA-N 321.811 4.611 30 20 DJED CCOc1ccc(O)c(C=Nc2ccc(CC(F)(F)F)cc2)c1 741466088 DESFIWJDGPWGHP-UHFFFAOYSA-N 323.314 4.646 30 20 DJED C=C(C)CCOC(=O)c1occc1CSc1ccccc1 744305269 WTHWSKPQTVIQIH-UHFFFAOYSA-N 302.395 4.695 30 20 DJED FC(F)(F)c1ccc(NN=C[C@@H]2CCOc3ccccc32)cc1 746579050 SPDZRPGNAQONAG-LBPRGKRZSA-N 320.314 4.669 30 20 DJED O=C1/C(=C/c2ccc(Cl)nc2)CSc2ccc(Cl)cc21 749000049 UFLAZOMGIMWFDC-BJMVGYQFSA-N 322.216 4.760 30 20 DJED CC(C)[C@@H](C#N)OC(=O)c1cc2sc3ccccc3c2s1 750648288 MXQGBDSYEPXICM-LLVKDONJSA-N 315.419 4.821 30 20 DJED C#CCCCC(=O)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1 757898817 MPGGGMFZYMNCMS-LPHOPBHVSA-N 313.441 4.524 30 20 DJED CCOc1ccc(C(=O)/C=C\c2cnc(C(C)C)s2)cc1 758423363 XWRZYMUOAAVDCE-KTKRTIGZSA-N 301.411 4.561 30 20 DJED C#CCCc1noc(-c2ccc(CSc3ccccc3)cc2)n1 762016405 POSPFENYUDXSSF-UHFFFAOYSA-N 320.417 4.595 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2cc(Cl)cc(Cl)c2)s1 762448688 XPKJEFVKZIPSEX-IWQZZHSRSA-N 308.189 4.823 30 20 DJED Cc1noc(C)c1/C=C1/CCc2c(sc3ccccc23)C1=O 763101130 LRYIRDWMWHXXHY-XFXZXTDPSA-N 309.390 4.719 30 20 DJED CC12CC3(C)CC(C)(C1)CC(C(=O)OCCCCC#N)(C2)C3 772804290 HVKHDOJRHQIAPB-UHFFFAOYSA-N 303.446 4.610 30 20 DJED C[C@H](Nc1cnn(-c2ccccc2Cl)c1)c1ccc(C#N)cc1 777267245 ZGBXAJOHOVNLBP-ZDUSSCGKSA-N 322.799 4.570 30 20 DJED N#Cc1cc(Cl)ccc1COC(=O)c1ccc(C(F)F)cc1 780041295 BZOQWNFXMYNWMK-UHFFFAOYSA-N 321.710 4.506 30 20 DJED CCC1(C=NNc2c(Cl)cccc2Cl)CCOCC1 781125243 LICCREKLVUJKMP-UHFFFAOYSA-N 301.217 4.598 30 20 DJED C=CCCCCC[C@H](C)Nc1cccc(N2CCOC2=O)c1 793549930 TZBADBJVUAQSFQ-HNNXBMFYSA-N 302.418 4.580 30 20 DJED CCC1(C=NNc2cccc(Cl)c2Cl)CCOCC1 841645527 PFVUIWCMTFFVGS-UHFFFAOYSA-N 301.217 4.598 30 20 DJED CC[C@H](Nc1ccc([C@@H]2CCOC2)cc1)c1cccc(C#N)c1 903001617 WBYPJNKDNINPTL-QUCCMNQESA-N 306.409 4.625 30 20 DJED CC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1cc(F)ccc1OC 903371419 SKVULVMRCLYZIH-FZKQIMNGSA-N 312.388 4.508 30 20 DJED CC(C)Oc1cccc(/C=C\C(=O)c2ccc(F)c(F)c2)c1 921262296 SVQVCABYWKPDAQ-TWGQIWQCSA-N 302.320 4.648 30 20 DJED C[C@@H]1CC(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H](C)C1 1126564149 FLXDRCHCRIEAOV-QWRGUYRKSA-N 324.346 4.588 30 20 DJED Cc1cc(C#N)cc(NC(=O)C2(c3ccccc3Cl)CCC2)c1 1129809240 LXUQBPUFQPJURF-UHFFFAOYSA-N 324.811 4.581 30 20 DJED C[C@H](Nc1c(Br)cccc1C#N)c1cccs1 1163062380 SDZDOKHXOHVIFV-VIFPVBQESA-N 307.216 4.555 30 20 DJED CC(C)CN(CCC#N)Cc1cccc(SC(F)(F)F)c1 1167458751 WRUCBHSNDARGHZ-UHFFFAOYSA-N 316.392 4.670 30 20 DJED C[C@@H](S[C@@H](C#N)C1CC1)c1ccc(OC(F)(F)F)cc1 1188683698 IIEBEIPCRQWOIP-RNCFNFMXSA-N 301.333 4.682 30 20 DJED C[C@H](Sc1cccc(F)c1C#N)c1nccn1-c1ccccc1 1189432127 ADMGHEIPCQNDPQ-ZDUSSCGKSA-N 323.396 4.736 30 20 DJED Cc1cccc(C2(NCc3ccc(C#N)cc3C)CCCC2)c1 1192148769 IFZPPKASOKBLRV-UHFFFAOYSA-N 304.437 4.734 30 20 DJED Cc1cc(N[C@H](CC(C)(C)C)c2ccc(F)cc2)ncc1C#N 1306934114 XPJYCGBVBDEQBQ-QGZVFWFLSA-N 311.404 4.990 30 20 DJED CCCOc1ccc(Nc2nc(C#N)c(Cl)s2)cc1C 1458509060 IZILCQSWUCEVSN-UHFFFAOYSA-N 307.806 4.509 30 20 DJED Cc1cc(CNCC2(c3cccc(Cl)c3)CCC2)ccc1C#N 1461695845 QVENVHIPGRDTQT-UHFFFAOYSA-N 324.855 4.732 30 20 DJED Cc1ccc([C@H]2CCC[C@@H]2OC(=O)c2cccc(C#N)c2C)cc1 1518081247 QTIMJZHQPPNNQE-UXHICEINSA-N 319.404 4.668 30 20 DJED Cc1ccc2c(C(=O)O[C@H](C)c3cccc(C#N)c3)csc2c1 1525571855 KXLDZYNOZUASQK-CYBMUJFWSA-N 321.401 4.999 30 20 DJED Cc1c(C#N)cccc1C(=O)O[C@H](C)c1oc2ccccc2c1C 1537172996 KBULTMWQWGTAHW-CQSZACIVSA-N 319.360 4.839 30 20 DJED CCC[C@H](NC(=O)Nc1scc(C)c1C#N)c1ccccc1 1562766672 MQMRPACXWHRAIT-HNNXBMFYSA-N 313.426 4.591 30 20 DJED CC(C)CN(CCCc1cccc(F)c1)Cc1ccc(C#N)cc1 1641622084 ZGLIGYWODVAHCC-UHFFFAOYSA-N 324.443 4.788 30 20 DJED Cc1cc(N(Cc2ccc3ccccc3c2)C2CC2)ncc1C#N 1651421510 DVZYACUXHHOZPA-UHFFFAOYSA-N 313.404 4.584 30 20 DJED C[C@@H](NCCC1(C#N)CCCCC1)c1cc(Cl)ccc1F 1657938785 IDFKYQZVHMTEHG-CYBMUJFWSA-N 308.828 4.994 30 20 DJED CC[C@H](Cc1ccc(Cl)cc1)N[C@@H]1CCc2cc(C#N)ccc21 1664566532 LTGWIZDBACBVEV-UYAOXDASSA-N 324.855 4.810 30 20 DJED C[C@@H]1C/C(=C/c2ccc(/C=C\C(=O)O)cc2)C(=O)c2ccccc21 1776589740 RZTDHRHXQVODGF-INXVPTKRSA-N 318.372 4.558 30 20 DJED C=CCOc1ccc(C(=O)Nc2ccccc2C(C)(C)C)cc1 43740157 MWFGMNYVWCPPOS-UHFFFAOYSA-N 309.409 4.801 30 20 DJED CCCCCC[C@H](C)/C(O)=N/S(=O)(=O)/C=C/c1ccccc1 76760757 RYXLZKILWKZFNH-BUYIWHAFSA-N 323.458 4.550 30 20 DJED N#C[C@@H](C(=O)C1=CCCCCC1)c1nc(-c2ccccc2)cs1 123716827 UMSVSRBZRRIZBA-INIZCTEOSA-N 322.433 4.877 30 20 DJED CC(C)c1ccc(-c2nc(CN(C)C[C@H](C)C#N)cs2)cc1 143163551 GFSVQCROLMIWJG-CQSZACIVSA-N 313.470 4.525 30 20 DJED C[C@@H](NC[C@@H](c1ccccc1)C(F)(F)F)c1cccc(C#N)c1 186846675 MOJXIKRBTMFKRH-DYVFJYSZSA-N 318.342 4.555 30 20 DJED N#CCC[C@H](NCc1ccc(Cl)cc1F)c1ccccc1 189170742 BWPHYOJCHRBZHK-KRWDZBQOSA-N 302.780 4.614 30 20 DJED C[C@H](NCc1csc(-c2ccccc2)n1)c1ccc(C#N)cc1 192941228 ZUOCCQHRWQCJRG-AWEZNQCLSA-N 319.433 4.533 30 20 DJED CS[C@@H]1CCC[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 227359816 GFIKYIXVHUIFRB-WCQYABFASA-N 314.376 4.663 30 20 DJED N#CC1(CCCSCc2ccc(Cl)cc2)CCOCC1 280938284 HWENKLQTKHVSHJ-UHFFFAOYSA-N 309.862 4.674 30 20 DJED C[C@H](NCCCF)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 314377341 SJBWGYQDFQCADV-QMMMGPOBSA-N 317.248 4.734 30 20 DJED N#Cc1ccc(CNc2ccccc2Cc2ccccc2)s1 318656431 UCSYRYDAZPDFPM-UHFFFAOYSA-N 304.418 4.823 30 20 DJED CC[C@@H](C)c1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1 355899197 XYFRQUKNZXWLCV-ATWMFIQVSA-N 320.396 4.622 30 20 DJED CC(C)[C@@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)c1ccccc1 425631660 BSHRYVQGJPAASG-OXJNMPFZSA-N 320.436 4.517 30 20 DJED CC(C)(C#N)CCCCSCc1cnn(-c2ccccc2)c1 435882089 DGAXAXKBJDHUKG-UHFFFAOYSA-N 313.470 4.826 30 20 DJED CC[C@H]1CC[C@H](C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 439526270 ZPIRCLMAMIUCHL-AFYVEPGGSA-N 324.468 4.501 30 20 DJED CC(C)CN(CC(C)C)C(=O)Nc1ccc(CC#N)cc1Cl 455698665 GDMAMIRHPLTLHZ-UHFFFAOYSA-N 321.852 4.552 30 20 DJED C/C=C/c1ccc(Oc2nc(C)c(C#N)cc2Cl)c(OC)c1 461716058 CMNGIHASKHLTJY-SNAWJCMRSA-N 314.772 4.749 30 20 DJED CC1CCC(CC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 464941336 NGRCWVMVZDUSLR-TZJYRCSTSA-N 324.468 4.501 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)/C=C\C1CCCC1 493300865 YHVUQPLBDZWQGF-BMSUMIBZSA-N 314.454 4.623 30 20 DJED C=CCN(Cc1cccs1)Cc1c(C)nn(C(C)(C)C)c1C 506010130 PCDMYUVGNUXCKE-UHFFFAOYSA-N 317.502 4.505 30 20 DJED C[C@@H](c1ccccc1)N(C(=O)c1cc(C#N)ccc1Cl)C1CC1 508531374 MZALWIWGINLLKK-ZDUSSCGKSA-N 324.811 4.577 30 20 DJED C=C(C)CCc1noc([C@@H]2C[C@@H]2c2c(F)cccc2Cl)n1 508683201 YHSZUXSEQSUAKR-WDEREUQCSA-N 306.768 4.642 30 20 DJED C=C(C)CNCc1cn(C(C)(C)C)nc1-c1ccccc1Cl 512365408 XTCJHJMKEXRTGH-UHFFFAOYSA-N 317.864 4.624 30 20 DJED C=CCCC(=O)N[C@H](c1ccc(CCC)cc1)c1cccs1 523228206 MSKBHKUPDBLLSU-LJQANCHMSA-N 313.466 4.872 30 20 DJED C=CCCO[C@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H](C)CC 525077442 ZENXRLBZPCICBE-JJRVBVJISA-N 323.864 4.525 30 20 DJED CC(C)[C@@H](NCCC(C)(C)C#N)c1cccc(C(F)(F)F)c1 537412301 UKGCCGRXPDGHOD-OAHLLOKOSA-N 312.379 4.932 30 20 DJED C[C@H](NCc1ccc(CC#N)cc1)C1CCC(C(F)(F)F)CC1 564962097 ABYGQUUQFCRPRK-IGEOTXOUSA-N 324.390 4.599 30 20 DJED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(Cl)s1 571350468 SQUUOQRQMAZRNA-LLVKDONJSA-N 302.830 4.613 30 20 DJED N#CCCN(C(=O)c1cc2ccccc2s1)c1ccc(F)cc1 572708325 GOJAWAIUFYRABF-UHFFFAOYSA-N 324.380 4.601 30 20 DJED N#CCCCCCC(=O)Nc1ccc(CNc2ccccc2)cc1 588630091 CUQJNSUVRCTMPV-UHFFFAOYSA-N 321.424 4.711 30 20 DJED N#Cc1ccc2c(c1)[C@@H](Nc1ccc3nc(C4CC4)oc3c1)CC2 589342886 QEBLFMAWSQNIHU-KRWDZBQOSA-N 315.376 4.676 30 20 DJED C=C(C)COc1cccc(NC(=O)N(CCC)CC(C)C)c1 589739605 XREUWTOHYJLRMX-UHFFFAOYSA-N 304.434 4.541 30 20 DJED C[C@@H]1CCc2c(sc(NC(=O)CC3CCCCC3)c2C#N)C1 602755123 HNOGJHOXZIWICR-GFCCVEGCSA-N 316.470 4.653 30 20 DJED C=CCCCCCN(C)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 606921423 BOJRKVNMHOFBGA-KRWDZBQOSA-N 302.462 4.752 30 20 DJED C[C@H](N[C@@H](C)c1ccc(Cl)c(F)c1)c1cccc(C#N)c1 611248664 WURGNKBSMJQJOR-RYUDHWBXSA-N 302.780 4.763 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2Nc1ccc2scnc2c1 617099044 KTXZYUPINMXORT-MRXNPFEDSA-N 305.406 4.657 30 20 DJED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(F)c(Cl)c1 618801242 ABCSYKKWRKRBQN-ADLMAVQZSA-N 314.791 4.689 30 20 DJED CC(=NNc1cccc(C#N)c1)c1ccc(SC(C)C)cc1 728425633 KHYPWKIZZUIRBT-UHFFFAOYSA-N 309.438 4.895 30 20 DJED Cc1cc(C)cc(C(=O)/C=C/c2c(C)nc3sc(C)cn23)c1 730438029 XXFWSDXEGRBAGG-AATRIKPKSA-N 310.422 4.526 30 20 DJED C=CC[C@@H](C)NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F 735065970 LUPIKKJMZZHBES-GFCCVEGCSA-N 317.791 4.841 30 20 DJED C[C@@H]1Sc2sccc2C(=O)/C1=C/c1ccc(Cl)nc1 749006630 ZFLAXBVNYOHVAJ-KIFNTFBYSA-N 307.827 4.557 30 20 DJED Cc1ccc(NC(=S)N(c2cccc(C#N)c2)C(C)C)cc1C 749769010 TXGCFFAWNZZZKV-UHFFFAOYSA-N 323.465 4.787 30 20 DJED O=C(/C=C/C=C/c1ccc(F)cc1F)c1ccc(F)cc1F 758016167 KPJMUPJUBUVZPW-ZPUQHVIOSA-N 306.258 4.695 30 20 DJED CCCn1nc(C)c(/C=C/C(=O)c2oc3ccccc3c2C)c1C 759666748 OGSQKSPGKYJKOF-ZHACJKMWSA-N 322.408 4.861 30 20 DJED O=C(/C=C\c1cnc(C2CCC2)s1)c1cccc(Cl)c1 760263548 GBIXUCPIQRDFNZ-FPLPWBNLSA-N 303.814 4.960 30 20 DJED Cc1cccc(C2(C(=O)OCCCCC(C)(C)C#N)CCC2)c1 768460553 VHTMTODSOYKKMA-UHFFFAOYSA-N 313.441 4.680 30 20 DJED O=C1/C(=C\c2cccc(-c3cccnc3)c2)Cc2ccc(F)cc21 768491196 XVYULFZCNUAVOA-ZDLGFXPLSA-N 315.347 4.710 30 20 DJED CSc1cc(Br)ccc1/C=C/C(=O)c1ccco1 769771985 UNUWPBRNXGWCLU-FNORWQNLSA-N 323.211 4.660 30 20 DJED C=C(C)[C@H](NCc1cc(C)c(C)cc1O)c1ccc(F)c(F)c1 775318826 KROLQHGIIJHQAC-IBGZPJMESA-N 317.379 4.694 30 20 DJED CC(=NOCCC(F)(F)F)c1ccc(SC(F)F)cc1 777458743 LBWSYUYRDJIIJN-UHFFFAOYSA-N 313.291 4.694 30 20 DJED C#CCCCCCC(=O)N(CC1CCCCC1)c1ccccn1 779991210 AAXZMWVEBAPZPQ-UHFFFAOYSA-N 312.457 4.579 30 20 DJED Cc1cccc(/C=C\C(=O)c2ccnc(Cl)c2)c1OC(F)F 782193062 CTRRMIVAGLPLFF-WAYWQWQTSA-N 323.726 4.541 30 20 DJED CC(=NNc1cc(Cl)cc(Cl)c1)c1sc(C)nc1C 790210459 FEFRDJNQXGCMIZ-UHFFFAOYSA-N 314.241 4.903 30 20 DJED O=C1/C(=C/c2ccc3cnccc3c2)Oc2cccc(Cl)c21 811699856 YAAWISHMJKXAKC-SXGWCWSVSA-N 307.736 4.504 30 20 DJED C=CC[C@@H](OC(=O)CCCC#N)c1ccc(Cl)c(Cl)c1 813096361 KEQPUKVZFOYAGD-CQSZACIVSA-N 312.196 4.848 30 20 DJED CC[C@H](CC1CCCC1)C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842940456 AEMQKJCPQSVRBN-UKRRQHHQSA-N 316.470 4.803 30 20 DJED CC(C)c1nnc(CSCCCCC2(C#N)CCC2)s1 901794798 WNRGUWRLPFRUMJ-UHFFFAOYSA-N 309.504 4.759 30 20 DJED CC(C)COc1ccc(NCc2ccccc2C#N)cc1Cl 914786496 GYQHDDCXWLDRHW-UHFFFAOYSA-N 314.816 4.859 30 20 DJED C/C(C=NNc1ncccc1C(F)(F)F)=C\c1ccccc1 915051191 NTLRTJNZASTQNR-KLUOYSBSSA-N 305.303 4.602 30 20 DJED C(=NNc1ccccc1)c1c(-c2ccccc2)nc2sccn12 917022680 QUFAVFCKNUKHBK-UHFFFAOYSA-N 318.405 4.509 30 20 DJED CCCOc1cc(/C=C\C(=O)c2ccc(C)s2)ccc1OC 917043427 ILWLYAOMEXUQMU-VURMDHGXSA-N 316.422 4.750 30 20 DJED C=CCN(C(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1)C(C)C 918701202 OIUFCBLWWZNDEQ-UHFFFAOYSA-N 311.212 4.511 30 20 DJED CCCCN(C(=O)CC#Cc1ccccc1)[C@@H](C)c1ccc(C)o1 1116270705 HNPPXKYYYIZWSH-SFHVURJKSA-N 323.436 4.720 30 20 DJED Cc1c(C(=O)O[C@@H](C)c2cccc(C#N)c2)oc2c(C)cccc12 1127021521 JRIJFJOTYVOLQW-AWEZNQCLSA-N 319.360 4.839 30 20 DJED C[C@H]1CC(C)(C)N(C(=O)c2ccc(C#N)cc2F)c2ccccc21 1127576919 AQFXJQKYVBBODQ-ZDUSSCGKSA-N 322.383 4.630 30 20 DJED CC(C)(CC(=O)Nc1cc(C#N)ccc1F)C1CCCCC1 1129603402 VVHUYTHHOCCDHB-UHFFFAOYSA-N 302.393 4.632 30 20 DJED CC[C@H](C#N)C(=O)N[C@H](c1ccccc1C)[C@H]1CCC[C@H](C)C1 1145003856 IXISSSSBZJRJON-RUENVJTFSA-N 312.457 4.528 30 20 DJED CC(C)OC[C@H](C)Nc1ccc(Oc2ccccc2)c(C#N)c1 1205493098 QRKOOBWIIFZFHT-HNNXBMFYSA-N 310.397 4.576 30 20 DJED CC[C@](C)(C#N)C(=O)Nc1cccc(CCCc2ccccc2)c1 1264904588 NLRVHAQLUYZLJB-OAQYLSRUSA-N 320.436 4.740 30 20 DJED Cc1ccc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)cc1 1274493795 ZSFAKSPUYSVSRE-OLZOCXBDSA-N 324.449 4.866 30 20 DJED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(-c3ccccc3)s2)C1 1322945321 XCXRBZPBEGWSDX-AUUYWEPGSA-N 324.449 4.617 30 20 DJED CC[C@H]1CCC[C@H]1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1436351710 IMFPORCQSWRLDL-XJKSGUPXSA-N 314.429 4.500 30 20 DJED CC[C@@H](CC1CCCC1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1436850070 PBRKIKTXUKLWBO-FXAWDEMLSA-N 324.468 4.658 30 20 DJED C[C@@H](C#N)Oc1ccccc1N[C@H](C)c1nccc2ccccc12 1461989308 QIRIQQWTEJOCLL-LSDHHAIUSA-N 317.392 4.699 30 20 DJED CCc1ccc([C@@H](NC(=O)c2cccc(C#N)c2C)C(C)C)cc1 1523790519 DWLSMKLJCKKLGR-FQEVSTJZSA-N 320.436 4.556 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)c2ccccc2Oc2ccccc2)C1 1525049840 YTMRZTJOSNLNEZ-WBVHZDCISA-N 321.376 4.718 30 20 DJED Cc1cc(Sc2ncnc3sc4c(c23)CCC4)ccc1C#N 1559218662 LLWQAIFPHWQDCN-UHFFFAOYSA-N 323.446 4.511 30 20 DJED C=C(Cl)CN1CCc2ccccc2[C@@H](c2ccccc2)[C@H]1C 1559661043 KTEWANXERFWSRM-OXQOHEQNSA-N 311.856 4.818 30 20 DJED CN(Cc1ccc(C#N)cc1Cl)[C@@H]1CCC[C@@H]1c1ccccc1 1559899030 SIMDKWQXXNZJMB-UYAOXDASSA-N 324.855 4.980 30 20 DJED C[C@H]1CCc2sc(NC(=O)c3ccccc3)c(C#N)c2[C@H]1C 1584026363 WBHBHNNSHCPZCD-RYUDHWBXSA-N 310.422 4.558 30 20 DJED CCN(CCOc1ccccc1C#N)c1ccc2ccccc2c1 1615935667 SUJYIGDSXVMDQV-UHFFFAOYSA-N 316.404 4.617 30 20 DJED CC1(c2ccccc2)CCN(CCC2(C#N)CCCCC2)CC1 1616395326 HIRDNQJNAMODRW-UHFFFAOYSA-N 310.485 4.904 30 20 DJED CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)N(C)CC(C)(C)C#N 1637445593 MPXFOPWUIKJFOD-NGEICVOHSA-N 318.505 4.627 30 20 DJED N#Cc1cc(F)ccc1CN1CCCCC[C@@H]1c1ccccc1 1641653186 HBOKNHISSDARMN-HXUWFJFHSA-N 308.400 4.815 30 20 DJED N#Cc1ccc(COc2cc(C(F)(F)F)ccc2Cl)s1 1643515725 VSRIOEVAEMFOPV-UHFFFAOYSA-N 317.719 4.871 30 20 DJED C=C(CNCc1c(Cl)ccc2cccnc12)c1ccccc1 1649117662 MUNZZUASADTCNH-UHFFFAOYSA-N 308.812 4.691 30 20 DJED Cc1cc(NCC(C)(C)c2ccc3ccccc3c2)ncc1C#N 1652103445 CEQUEWODOHTIHH-UHFFFAOYSA-N 315.420 4.805 30 20 DJED CSc1ccccc1[C@H](C)NC1CC(C#N)(c2ccccc2)C1 1652276023 HPKDLDRCKJRWPA-FVWXCPNNSA-N 322.477 4.683 30 20 DJED CCc1ccc([C@@H]2CCCN([C@H](C#N)c3ccccc3)C2)cc1 1654379874 QGRJJHZPGULFCB-NHCUHLMSSA-N 304.437 4.693 30 20 DJED Cc1cccc(-n2ccnc2SCc2ccccc2C#N)c1C 1656183582 NAXLXNQKGIIUCZ-UHFFFAOYSA-N 319.433 4.653 30 20 DJED C=C(Cl)CN[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F 1658292221 JMAFQFMECXPANO-GXTWGEPZSA-N 303.755 4.684 30 20 DJED Cc1cc(CN2CCC[C@@H]2Cc2ccccc2Cl)ccc1C#N 1658962697 GZMJCEVUMDWONL-LJQANCHMSA-N 324.855 4.727 30 20 DJED CCC1(CC)CN(Cc2cccc(F)c2C#N)c2ccccc21 1659400769 OHQSXOQJWODQOS-UHFFFAOYSA-N 308.400 4.775 30 20 DJED CC(C)(C)[C@@H]1CN(Cc2cccc(F)c2C#N)c2ccccc21 1664496862 CTAMHQYHFBIUTO-QGZVFWFLSA-N 308.400 4.847 30 20 DJED Cc1cccc(NC(=O)[C@H](C)S[C@@H](C)c2ccc(C#N)cc2)c1 118444692 FKIZJPZBUKZXRQ-GJZGRUSLSA-N 324.449 4.688 30 20 DJED CCCCCCC[S@@](=O)Cc1ccc(OC(F)F)cc1 133130180 NKZDUOSTXHBWCG-FQEVSTJZSA-N 304.402 4.507 30 20 DJED C=CCC[C@@H](NC(=O)c1sccc1SC)c1ccccc1 154239176 DZJPMIIOLARZLG-CQSZACIVSA-N 317.479 4.907 30 20 DJED Cc1ccc(-c2nnc([C@H](C)Sc3cccc(C#N)c3)o2)cc1 158654868 KGISIKYCTMQQNT-ZDUSSCGKSA-N 321.405 4.770 30 20 DJED N#Cc1csc(CNc2ccc(CCC(F)(F)F)cc2)c1 175803707 CTAGTCOZULHBGG-UHFFFAOYSA-N 310.344 4.727 30 20 DJED COc1cccc(/C=C\C(=O)c2ccccc2C(F)(F)F)c1 206088454 COCQSTSEEISIRX-KTKRTIGZSA-N 306.283 4.610 30 20 DJED CS[C@@H]1CCC[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 227359803 GFIKYIXVHUIFRB-DGCLKSJQSA-N 314.376 4.663 30 20 DJED CC(C)(C#N)c1ccc(C(=O)N2CCC[C@H]2c2ccsc2)cc1 280126602 CTTIXAZQLRYGHL-KRWDZBQOSA-N 324.449 4.527 30 20 DJED C#Cc1cccc(N(C)Cc2ncc(-c3ccc(Cl)cc3)o2)c1 303145109 DMPACJHGUMSKQZ-UHFFFAOYSA-N 322.795 4.613 30 20 DJED Cc1cccc([C@H]2CCCCCN2C(=O)c2ccc(C#N)cc2)c1 303647434 CXKNVCBQYSACCF-HXUWFJFHSA-N 318.420 4.624 30 20 DJED Cc1nc(C)c(-c2csc(N=C(O)C3CC(C)(C)C3)n2)s1 329068527 MLKXSBJYTOJWOY-UHFFFAOYSA-N 321.471 4.908 30 20 DJED C=CCN(Cc1cccs1)Cc1cc(F)cc2cccnc12 349542487 NEOHIHUIRSSUQJ-UHFFFAOYSA-N 312.413 4.624 30 20 DJED C=CCC1(CNC(=O)Nc2ccccc2C(F)F)CCCC1 425704281 QGZVBMZKONCLDK-UHFFFAOYSA-N 308.372 4.882 30 20 DJED CC[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1cccs1 426153305 LZPZMLBKHJCGJB-LBPRGKRZSA-N 319.817 4.546 30 20 DJED N#C[C@@H]1CC[C@@H](Sc2ncc(C(F)(F)F)cc2Cl)C1 430172544 XPRKSDCGEZLHSZ-VXNVDRBHSA-N 306.740 4.538 30 20 DJED Cc1ccccc1[C@@H](NC(=O)c1cccc(CC#N)c1)C(C)(C)C 430576715 WSSVLOKSTKITPA-LJQANCHMSA-N 320.436 4.578 30 20 DJED C=CC1CCN(C(=O)Nc2c(CC)cc(C)cc2CC)CC1 435197257 QSPUGYAMGJBFAY-UHFFFAOYSA-N 300.446 4.550 30 20 DJED N#C[C@H]1CCC[C@@H](N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 436299664 GXFAXILRAJUTQL-SDNTUTLCSA-N 322.374 4.623 30 20 DJED C=CCCC1(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 437315844 MVFYPUBPSIBRSL-SWLSCSKDSA-N 324.251 4.712 30 20 DJED CCN(Cc1ccc(C#N)cc1Cl)[C@@H](C)c1ccc(C#N)cc1 439428657 YZSPVQOETPYTQU-AWEZNQCLSA-N 323.827 4.666 30 20 DJED CC[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1Br 453289760 ITWPZICKWMJLFY-XEZPLFJOSA-N 321.262 4.572 30 20 DJED Cc1sc(NC(=O)c2ccc3sccc3c2)c(C#N)c1C 471106690 KBMLTBNCFISEGY-UHFFFAOYSA-N 312.419 4.704 30 20 DJED CCCC[C@@H](CCC)NC(=O)c1ccc(C(C)(C)C#N)cc1 476250621 RURLBIVFNIISAL-QGZVFWFLSA-N 300.446 4.576 30 20 DJED C=CC[C@H](C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 487810963 IMTWUTDLXNLVOT-INIZCTEOSA-N 310.784 4.510 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC(=O)C[C@@H]1CCC[C@H](C)C1 504056511 KCUFNBBLYBLPOO-LSDHHAIUSA-N 314.429 4.500 30 20 DJED CC1(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CCCCCC1 510876075 CGAIZEYIMYYKJT-UHFFFAOYSA-N 322.452 4.534 30 20 DJED C=C(C)CN(CC)C(=O)[C@@H](C)S[C@@H](C)CCc1ccccc1 515783005 QCUBTNUQXOEIHK-DLBZAZTESA-N 319.514 4.554 30 20 DJED CC(C)(CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 521384915 VDRPTQFOKAFWJZ-UHFFFAOYSA-N 312.800 4.518 30 20 DJED C=CCOc1cccc(CNC(C)(C)c2cccc(Cl)c2)c1 523384317 WTRRRDVBTWIGEO-UHFFFAOYSA-N 315.844 4.930 30 20 DJED Cc1cc(CNC2(c3ccc(Cl)cc3)CCC2)ccc1C#N 560065101 LOEHJIQQOIDUDJ-UHFFFAOYSA-N 310.828 4.689 30 20 DJED N#Cc1c(F)cccc1SCc1coc(-c2ccccc2)n1 564035429 MQMLLNUFQOEZOA-UHFFFAOYSA-N 310.353 4.645 30 20 DJED C=CCCOCCCCc1nc(C(C)(C)C2=CCCCC2)no1 569432258 FSKZKPIJTHMKKL-UHFFFAOYSA-N 318.461 4.763 30 20 DJED CN(C(=O)c1ccc(C2CCCC2)cc1)c1ccc(C#N)cc1F 589764154 YKZAVPNNOPGUJV-UHFFFAOYSA-N 322.383 4.632 30 20 DJED N#CC1(C(=O)N2Cc3ccccc3-c3ccccc32)CCCCC1 604395206 KUSFDVILABMSKA-UHFFFAOYSA-N 316.404 4.674 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1cc2cccc(C)c2o1 609188794 ZGGHJDCWYXLJIL-UHFFFAOYSA-N 312.413 4.533 30 20 DJED CCC(C)(CC)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 613402065 GZVZYQATHYLNDW-LBPRGKRZSA-N 313.228 4.501 30 20 DJED CCCc1ccc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1 618806288 QJFKWSZATBJYIM-QVKFZJNVSA-N 304.437 4.849 30 20 DJED C=C(CNC(=O)c1cc(SC)ccc1Cl)c1ccccc1 672479137 BOAHRELTQOMJCS-UHFFFAOYSA-N 317.841 4.505 30 20 DJED FC(F)(F)c1ccc(NN=C2CCC[C@@H]2c2ccccc2)nc1 732527987 PCQMIRFIDHJRIC-CQSZACIVSA-N 319.330 4.836 30 20 DJED COc1ccc(/C=C/C(=O)c2cc(C)sc2C)cc1Cl 741470703 HEOFXTNXLAPCJV-GQCTYLIASA-N 306.814 4.923 30 20 DJED C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2CCC[C@@H](C)C2)c1 741557819 ZXTNVXRZIPRHLX-AEFFLSMTSA-N 321.420 4.620 30 20 DJED Cc1ncsc1C=NNc1c(Cl)cc(Cl)cc1Cl 743416929 DDUXPVSNIOALBW-UHFFFAOYSA-N 320.632 4.858 30 20 DJED O=C(/C=C/c1cccc(F)c1F)c1ccc(-c2ccncc2)cc1 745990149 LWFLCQZHAPTYAK-CMDGGOBGSA-N 321.326 4.923 30 20 DJED Cc1ccc(-c2nc(/C=C3\Cc4ccc(C)cc4C3=O)co2)cc1 749890938 DXKJYQSUHDGQNN-GZTJUZNOSA-N 315.372 4.781 30 20 DJED COc1ccccc1-c1ccc(C(C)=NOCC(F)(F)F)cc1 764845128 QSCGCFUWGBDXGV-UHFFFAOYSA-N 323.314 4.665 30 20 DJED C=CC[C@H](N[C@@H](C)c1ccccc1OC(F)F)c1ccncc1 766019345 LVIPDSFATPECJK-BBRMVZONSA-N 318.367 4.651 30 20 DJED COc1ccc(C(=O)/C=C/c2ccc(F)cc2Cl)c(F)c1 767717617 DFRTXEXBVVEKEC-XVNBXDOJSA-N 308.711 4.523 30 20 DJED O=C(/C=C\c1cccc(OC(F)F)c1)c1ccc(O)c(Cl)c1 768756784 NDMCGNIGDAYHQL-XQRVVYSFSA-N 324.710 4.543 30 20 DJED N#Cc1cc2c(nc1SCc1ccc(Cl)s1)CCCC2 775031335 AXVIXMKDXAYECG-UHFFFAOYSA-N 320.870 4.839 30 20 DJED Cc1cc(N[C@@H](C)c2ccc(C#N)c(F)c2)ccc1OC(C)C 777702640 LNZZXFCEOCIEFT-AWEZNQCLSA-N 312.388 4.966 30 20 DJED C=CC[C@@H](C(=O)O[C@@H](C)c1nc2ccccc2o1)c1ccccc1 777771362 TWKNGZBGLCJDCB-GOEBONIOSA-N 321.376 4.792 30 20 DJED C[C@@H](C#N)Oc1ccccc1NC/C=C/c1ccc(Cl)cc1 779988820 JTJXXJSFHMINPP-NNTXTVRGSA-N 312.800 4.756 30 20 DJED CCc1ccc([C@H](C)CC(=O)OCCCC(C)(C)C#N)cc1 783741980 AJXUMJFGHJOFKI-OAHLLOKOSA-N 301.430 4.616 30 20 DJED C#CCCCC(=O)N(C)[C@H](c1ccc(Cl)cc1)C1CCCC1 798543157 PSMQXLDGPPGPRG-IBGZPJMESA-N 317.860 4.833 30 20 DJED Oc1ccc(Cl)cc1C=Nc1cc(Cl)cc2cccnc12 912787350 JCXGVHZMSLFEPG-UHFFFAOYSA-N 317.175 4.998 30 20 DJED O=C(/C=C\c1cccc2c1OCO2)c1cc(Cl)ccc1Cl 915981536 RYAAUUSMKXNMIV-DAXSKMNVSA-N 321.159 4.618 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)c3cccs3)c2C#N)[C@@H](C)C1 1129332382 HFXOCEKMZFXBHM-UWVGGRQHSA-N 316.451 4.619 30 20 DJED Cc1cc(C#N)ccc1CN(Cc1ccc(F)cc1)C(C)(C)C 1168024839 DZOTXILFZGJHPL-UHFFFAOYSA-N 310.416 4.807 30 20 DJED C/C(=C\Cl)CSCc1ccc(Br)cc1C#N 1307334636 VIRCLIHANQNZMI-WEVVVXLNSA-N 316.651 4.697 30 20 DJED CC[C@H](Cc1ccc(C)cc1)N(CC)Cc1ccc(F)c(C#N)c1 1307493004 RWTVIDIHOBXGMT-HXUWFJFHSA-N 324.443 4.849 30 20 DJED N#Cc1ccc(F)c(CN[C@H]2CCCC[C@H]2c2ccccc2)c1 1308941446 WBWHGYIVUOHBLD-ICSRJNTNSA-N 308.400 4.513 30 20 DJED CC(C)[C@@H](CN[C@@H](C)CC(C)(C)C#N)c1ccc(Cl)cc1 1462216680 DMSVLGMKLUJEAE-WMLDXEAASA-N 306.881 4.998 30 20 DJED CC(C)N(Cc1cccc(Br)c1)C[C@@H](C)CCC#N 1474363068 YASFJBBCIJEYGT-AWEZNQCLSA-N 323.278 4.599 30 20 DJED CCC[C@H](Cc1ccccc1)Nc1ccccc1O[C@@H](C)C#N 1474386893 IOQIOWUBSUVFHL-FUHWJXTLSA-N 308.425 4.801 30 20 DJED CC(C)CCc1ccc(NC(=O)Cc2ccccc2CC#N)cc1 1528812059 SVMGLCIICWIKRH-UHFFFAOYSA-N 320.436 4.522 30 20 DJED CCC[C@H](CC(C)C)C(=O)N(C)c1cc(Cl)ccc1C#N 1532266966 JLYYMKRISZNFJG-CYBMUJFWSA-N 306.837 4.637 30 20 DJED CCCCN(C(=O)c1ccc(C)c(C#N)c1)[C@H](C)c1ccccc1 1532403139 ONTUFSLTJKYBAD-QGZVFWFLSA-N 320.436 4.870 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)N(CCC#N)CCC(C)C 1543041316 XBIDYLZKPKCGDJ-SFHVURJKSA-N 306.494 4.771 30 20 DJED Cc1csc(NC(=O)C2CC(C)(C)CC(C)(C)C2)c1C#N 1544276634 FPOJYUCUCONEJV-UHFFFAOYSA-N 304.459 4.719 30 20 DJED Cc1ccccc1NC1(CNc2cccc(F)c2C#N)CCCC1 1612382136 YQKXYICSTNLLME-UHFFFAOYSA-N 323.415 4.843 30 20 DJED Cc1ccnc(N[C@H]2C[C@@H](c3ccccc3)C[C@@H](C)C2)c1C#N 1612484567 VZLFVUNCHIIGMX-FHLIZLRMSA-N 305.425 4.646 30 20 DJED Cc1nc(NCc2ccc3ccccc3c2)c(Cl)cc1C#N 1639551155 DTQWAHZZOMZIRV-UHFFFAOYSA-N 307.784 4.680 30 20 DJED CCc1cccc(CSc2nc3c(c(C)c2C#N)CCC3)c1 1640762044 DCLVQMWQFCSMAA-UHFFFAOYSA-N 308.450 4.605 30 20 DJED N#Cc1c(Sc2ccccc2)nc2c(c1C#N)CCCCCC2 1649225683 VURLBPZBYVYFQM-UHFFFAOYSA-N 319.433 4.635 30 20 DJED N#Cc1nc(Oc2cnc3ccc(Cl)cc3c2)sc1Cl 1651842999 IQPPHIQFBMZTRV-UHFFFAOYSA-N 322.176 4.662 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1sccc1Cl 1653156715 PUXJXRXYIKAQMA-UHFFFAOYSA-N 304.846 4.685 30 20 DJED CC[C@@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(C#N)c(Cl)c1 1657862623 UPVGVZWNZZGBBF-TZMCWYRMSA-N 319.836 4.550 30 20 DJED Cc1ccc(C)c(C(=O)/C=C/c2cccc(C(=O)O)c2Cl)c1 1776133306 SUBVTFWUUKIUEK-CMDGGOBGSA-N 314.768 4.551 30 20 DJED O=C(/C=C/c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 5128422 JHJNVIAWPMWSNR-PKNBQFBNSA-N 303.317 4.644 30 20 DJED C=C(C)COc1cc(/C=C/C(=O)c2ccccc2C)ccc1OC 60822101 PDCMCIPSCDIMAV-PKNBQFBNSA-N 322.404 4.855 30 20 DJED C[C@H](C#N)Oc1ccccc1N[C@@H]1CCC[C@H](C(F)(F)F)C1 129642987 MOMFRPDTUAASJJ-FRRDWIJNSA-N 312.335 4.510 30 20 DJED CCC(C)(CC)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 131919214 BLXGBMPVXPOIBC-NSHDSACASA-N 320.845 4.952 30 20 DJED C[C@H](Sc1ccccc1C#N)c1nc(-c2cccs2)no1 172682231 VFFGSWMFHMCBJI-JTQLQIEISA-N 313.407 4.523 30 20 DJED CCCCc1ccc([C@H](C)NCc2ccc(OCC#N)cc2)cc1 180546721 SKXUQPHCZPQXKX-KRWDZBQOSA-N 322.452 4.782 30 20 DJED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1cc(Cl)ccc1O 186150556 DYZPIVZBYQJUSW-CXAGYDPISA-N 314.816 4.741 30 20 DJED CCc1ccc(C(=O)/C=C\c2cnc(-c3ccccc3)nc2)s1 208341808 ZDXCEKFCMNJVEN-NTMALXAHSA-N 320.417 4.664 30 20 DJED CC1(C)C[C@H](/N=C(/O)c2cccnc2C2CC2)c2ccccc2O1 329615376 DFOYULMHVNGBJJ-INIZCTEOSA-N 322.408 4.566 30 20 DJED C[C@@H](Sc1ccc(C#N)cc1)c1nnc(-c2cccs2)o1 337914431 MWZNPMPQEDNORV-SNVBAGLBSA-N 313.407 4.523 30 20 DJED C[C@@H](C(=O)Nc1ccc(C#N)c(F)c1)c1ccc2ccccc2c1 464639309 TXZHFJZCEWYHGE-CYBMUJFWSA-N 318.351 4.593 30 20 DJED CCCCN(CCCC)C(=O)c1ccc(C(C)(C)C#N)cc1 474891354 DFYOGVAINMNKMK-UHFFFAOYSA-N 300.446 4.530 30 20 DJED C=C(C)CN(C)C(=O)Nc1ccccc1O[C@H](C)c1ccccc1 477537625 ZYVGEHAMPJVCLH-MRXNPFEDSA-N 324.424 4.866 30 20 DJED CCCCc1nc(CNc2ccc(C#N)cc2Cl)cs1 486570161 CQWLGXKQJOWDBS-UHFFFAOYSA-N 305.834 4.623 30 20 DJED CC(C)[C@H]1CCC[C@H](NCc2cccc(OCCCC#N)c2)C1 504164336 WPJTUNDBBZWVQF-OALUTQOASA-N 314.473 4.674 30 20 DJED N#CCCN(Cc1cc(Cl)cc(Cl)c1)Cc1ccco1 505755333 DPSRPTKSRKKQPI-UHFFFAOYSA-N 309.196 4.502 30 20 DJED C=CCC[C@H](NCCCn1c(C)nc2ccccc21)c1ccco1 513760743 KGKUDQVASIVULY-SFHVURJKSA-N 323.440 4.625 30 20 DJED C=CCN(C(=O)C1CC(c2cccc(F)c2)C1)c1ccccc1 523364901 JUKYHKNAQSPXIV-UHFFFAOYSA-N 309.384 4.539 30 20 DJED C[C@H](N[C@H]1c2cccc(F)c2CC[C@H]1C)c1cccc(C#N)c1 539494201 BCNOJFJBFAYWRU-LAPQFRIASA-N 308.400 4.672 30 20 DJED CCC(C)(C)OCc1cccc(NC(=O)[C@@](C)(C#N)CC)c1C 552266584 UCNGITFLSHMHLC-LJQANCHMSA-N 316.445 4.579 30 20 DJED N#CCCOCCS[C@H](c1ccccc1)c1ccc(F)cc1 558853009 HNKSMUIKMYEVBC-GOSISDBHSA-N 315.413 4.579 30 20 DJED N#CC1(CN[C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 560177201 UTTZKJKFZUOLKN-DLBZAZTESA-N 302.849 4.650 30 20 DJED C=CCN(C(=O)Nc1c(CC)ccc(Cl)c1CC)C1CC1 560846998 IEXMLKWGYXXVBW-UHFFFAOYSA-N 306.837 4.647 30 20 DJED N#Cc1ccc2c(c1)[C@H](N[C@@H]1CC[C@H](c3ccc(F)cc3)C1)CC2 583842475 VLFQJXXGXDCDMK-FBBABVLZSA-N 320.411 4.611 30 20 DJED C=CC1CCN(C(=O)Nc2cccc(OCCC(C)C)c2)CC1 601143278 DIPSEPCJXLKOJG-UHFFFAOYSA-N 316.445 4.541 30 20 DJED C=CCCCCCN(C)C(=O)c1cc2cc(C)ccc2nc1C 606816614 FOSIKCGUHMXFBJ-UHFFFAOYSA-N 310.441 4.670 30 20 DJED COc1cc(CSCc2ccccc2C#N)ccc1SC 609466106 FICPWVQNRCLIEE-UHFFFAOYSA-N 315.463 4.722 30 20 DJED Cc1cc(C)c([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1C 618805314 NQBIAMWETCXVOE-HRAATJIYSA-N 304.437 4.822 30 20 DJED Cc1[nH]c2ccccc2c1C(=O)/C=C\C1=Cc2ccccc2OC1 726743314 CMYVRRHDCUBEEJ-KHPPLWFESA-N 315.372 4.691 30 20 DJED CC(=NNc1ccccc1F)c1ccc(Cl)c(Cl)c1O 727650929 BUOGLFKBJCDZGK-UHFFFAOYSA-N 313.159 4.674 30 20 DJED O=C1/C(=C/c2nc(-c3ccccc3)cs2)Oc2ccc(F)cc21 727975872 XDUZJHYWMIGSLO-SXGWCWSVSA-N 323.348 4.565 30 20 DJED C[C@@H](NN=Cc1cc(C(F)(F)F)ccc1F)c1ccccc1 733203733 XULCVZVIDMEBKP-LLVKDONJSA-N 310.294 4.529 30 20 DJED COc1ccc(CN[C@@H](C)c2csc3ccccc23)cc1C#N 742370124 GQRBOKXWQVCVQC-ZDUSSCGKSA-N 322.433 4.632 30 20 DJED CCOc1cc(/C=C/C(=O)c2coc3ccccc23)ccc1OC 747706289 TYHHZAFNUHYQKL-CSKARUKUSA-N 322.360 4.736 30 20 DJED Fc1ccc(CON=Cc2ccccc2C(F)(F)F)c(F)c1 753975196 YGANKIBFURAHKM-UHFFFAOYSA-N 315.241 4.534 30 20 DJED O=C(/C=C\c1coc(-c2ccccc2)n1)c1cc(F)ccc1F 757474956 OVTSNUQWQDLURV-CLFYSBASSA-N 311.287 4.516 30 20 DJED C=CCCO[C@H](C)C(=O)Nc1ccc(-c2ccccc2)c(C)c1 762516977 WTWAPXJLWBAUMS-MRXNPFEDSA-N 309.409 4.582 30 20 DJED CN(Cc1ccccc1)c1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1 765922037 WUVMGMHCFZVOHP-UYAOXDASSA-N 319.452 4.817 30 20 DJED COc1cc(C)ccc1C(C)=NNc1ncc(Cl)cc1Cl 767147240 ZXNGPOQAJLIWBP-UHFFFAOYSA-N 324.211 4.542 30 20 DJED CC(=NNc1cccc(C#N)c1)c1cc(Cl)sc1Cl 767359377 HJBSQWWDIYFCBO-UHFFFAOYSA-N 310.209 4.763 30 20 DJED C#CC[C@@H](NCc1c(Cl)cccc1Cl)c1ccccc1 775400278 YHPABJKJXRIKQC-QGZVFWFLSA-N 304.220 4.848 30 20 DJED O=C1/C(=C/c2coc(-c3ccccc3)n2)CCc2ccc(F)cc21 776191509 DFTAHGLWWUFEHC-XNTDXEJSSA-N 319.335 4.693 30 20 DJED Clc1cnc(NN=C2CC(c3ccccc3)C2)c(Cl)c1 814740799 XVCVIMWPEZXMKZ-UHFFFAOYSA-N 306.196 4.734 30 20 DJED Fc1ccc(C2CC(=NNc3cc(C(F)(F)F)ccn3)C2)cc1 834984046 LVDZMAFWNZSUDW-UHFFFAOYSA-N 323.293 4.585 30 20 DJED CCC[C@@H]1CCC[C@@H]1C(=O)[C@H](C#N)c1ccc2ccccc2n1 835042658 WPPFFEYEGUUNFW-HYVNUMGLSA-N 306.409 4.627 30 20 DJED CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1cc(F)ccc1OC 903370976 MIDKCBHETHDIBG-FZKQIMNGSA-N 312.388 4.508 30 20 DJED COc1cccc2cc(/C=C/C(=O)c3ccccc3Cl)oc12 916135284 OXMIDVUGGZZZCL-MDZDMXLPSA-N 312.752 4.991 30 20 DJED CC(C)(C)CC(C)(C)c1ccc(OC(=O)C(C)(C)C#N)cc1 916853654 DUAXUSSMSGCAGA-UHFFFAOYSA-N 301.430 4.856 30 20 DJED Cc1ccc2c(c1)C/C(=C\c1ccc(N3CCCCC3)cc1)C2=O 921264523 VKEZPMAWMDCBOO-XMHGGMMESA-N 317.432 4.808 30 20 DJED COc1ccc(CNc2cccc(C#N)c2C)cc1C(C)(C)C 1178835024 BYLDWABTLDCUGW-UHFFFAOYSA-N 308.425 4.785 30 20 DJED Cc1nc(C#N)cc(Oc2ccc([C@@H](C)c3ccccc3)cc2)n1 1306962581 TXVIICCDUFMKBF-AWEZNQCLSA-N 315.376 4.601 30 20 DJED Cc1cccc([C@@H](NC(=O)c2ccc(C)c(C#N)c2)C(C)(C)C)c1 1351236432 ILUQUNALOWWSJQ-LJQANCHMSA-N 320.436 4.692 30 20 DJED C[C@H](OC(=O)CCC(C)(C)c1ccccc1)c1ccc(C#N)cc1 1457193610 SHCIWHQDYSQNEJ-INIZCTEOSA-N 321.420 4.920 30 20 DJED CC(C)CC1(CNc2nc(C(F)(F)F)ccc2C#N)CCC1 1458257128 ZJFNSKFUGLVKNB-UHFFFAOYSA-N 311.351 4.600 30 20 DJED CCc1cccc(CSc2nc3c(cc2C#N)CCCC3)c1 1458907177 GMBIZNLVWBPJHJ-UHFFFAOYSA-N 308.450 4.687 30 20 DJED COc1cc(CN2CCC[C@@H]2c2cc(C)ccc2C)ccc1C#N 1474344905 WVSPEGSDBIGYMZ-HXUWFJFHSA-N 320.436 4.521 30 20 DJED C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)CC1(C#N)CCCCC1 1536543501 UODXPZTZYPIFJD-OXJNMPFZSA-N 324.468 4.680 30 20 DJED CCN(C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1)c1ccc(C#N)c(Cl)c1 1544756852 FEFJIVMMOWBRQA-NHAGDIPZSA-N 318.848 4.637 30 20 DJED CC(C)O[C@H](CSc1ccc(C#N)cc1F)c1ccccc1 1613565885 JXIUFLJNPBHBNU-QGZVFWFLSA-N 315.413 4.956 30 20 DJED CCCC[C@@H](CC)CCCN(C)C(=O)Cc1cccc(C#N)c1 1618244071 OMPSBHKEKFQAGU-QGZVFWFLSA-N 314.473 4.556 30 20 DJED CCc1ccc([C@H]2CCN([C@@H](C)c3cccc(C#N)c3)C2)cc1 1653736214 PCRQFXHLKUTYGH-KKSFZXQISA-N 304.437 4.671 30 20 DJED Cc1c(NN=C2C[C@@H](c3ccccc3)C2(C)C)cccc1C(=O)O 1776087715 RSKMRXAERJEDLA-INIZCTEOSA-N 322.408 4.675 30 20 DJED N#Cc1cccc(CNC2(c3ccc(Cl)cc3)CCCC2)c1 72097218 JWORTXUXAHSVMY-UHFFFAOYSA-N 310.828 4.771 30 20 DJED C=CCC[C@H](NC(=O)Nc1ccccc1COC)c1ccccc1 155142950 PRWQLRVLMWHTCX-SFHVURJKSA-N 324.424 4.662 30 20 DJED COc1ccc([C@H](C)[C@H](C)Nc2ccccc2O[C@H](C)C#N)cc1 180204832 CVDDAWUYRFEIQH-OAGGEKHMSA-N 324.424 4.590 30 20 DJED Cc1cccc([C@H](C)N[C@H](C)c2ccc(OCC#N)cc2)c1C 180543300 WVEZOFWVYXKXPV-SJORKVTESA-N 308.425 4.618 30 20 DJED N#CCC[C@@H](NCc1ccc(Cl)cc1F)c1ccccc1 189170718 BWPHYOJCHRBZHK-QGZVFWFLSA-N 302.780 4.614 30 20 DJED C[C@@H]1C[C@H]1[C@@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 237454767 XYHRQAAMSAWQIZ-ZNOIYHFQSA-N 310.828 4.699 30 20 DJED C=C[C@H](CC(=O)N1CCc2sccc2[C@@H]1C)c1ccccc1 270267079 ZJMRAGFOQNDILX-LSDHHAIUSA-N 311.450 4.554 30 20 DJED Cc1cc(CSCc2nc(C3CC3)cs2)ccc1C#N 362459685 YCCZRNZVTUEWCM-UHFFFAOYSA-N 300.452 4.634 30 20 DJED CCCCOc1ccc([C@H](C)NCc2ccc(C#N)s2)cc1 421867527 CDZQAOOPKBZLGW-AWEZNQCLSA-N 314.454 4.649 30 20 DJED N#Cc1c(F)cccc1Oc1ncnc2sc3ccccc3c12 440668975 LJOJNAQSBKRYHJ-UHFFFAOYSA-N 321.336 4.648 30 20 DJED N#Cc1c(CNc2cccc3ccsc23)cn2ccccc12 446646354 WRMKXBNKKVRIFU-UHFFFAOYSA-N 303.390 4.638 30 20 DJED N#C[C@H]1CC[C@H](Sc2ncc(-c3ccc(Cl)cc3)o2)C1 450768313 KYBIGFKPCDGILM-GWCFXTLKSA-N 304.802 4.779 30 20 DJED N#Cc1ccnc(SC2CCC(C(F)(F)F)CC2)c1Cl 450869484 KKOPRIJTVWYDPB-UHFFFAOYSA-N 320.767 4.820 30 20 DJED CCC1(CC)CCCN(C(=O)Nc2cccc(CC#N)c2)CC1 455906395 NLLAJMBZSCGXSE-UHFFFAOYSA-N 313.445 4.577 30 20 DJED CC(C)(C)c1csc(CCNc2c(Cl)cccc2C#N)n1 462828588 ONSTXPMGGGAYNR-UHFFFAOYSA-N 319.861 4.620 30 20 DJED C=C(C)CN(C)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 466655164 LBOAMMUHZKVEJN-UHFFFAOYSA-N 322.836 4.559 30 20 DJED Cc1ccccc1CN(CCCSCC#N)Cc1ccccc1 466742157 FFFJYJFOJVKVPA-UHFFFAOYSA-N 324.493 4.644 30 20 DJED C[C@H](NCCc1cccc(C#N)c1)[C@@H](C)c1ccc(Cl)cc1 467448051 CLYWIRZBQYGNLT-CABCVRRESA-N 312.844 4.536 30 20 DJED Cc1ccc(Oc2ccccc2NC(=O)CC(C)(C)C#N)cc1 469503505 PMNZYUMCLBSCEV-UHFFFAOYSA-N 308.381 4.666 30 20 DJED CC[C@@H]1CCCC[C@H]1N(C)C(=O)C[C@H](CC#N)c1ccccc1 476291424 VVINTUNLEZGENM-NZSAHSFTSA-N 312.457 4.501 30 20 DJED CCCOc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1 476518532 MFQIYNDEWMNTDR-UHFFFAOYSA-N 322.408 4.529 30 20 DJED C=C(C)CCc1noc([C@@H](C)CSc2ccc(F)cc2)n1 508686438 MWYBVYPFWKPOFZ-LBPRGKRZSA-N 306.406 4.613 30 20 DJED C=C(C)COc1cccc(NC(=O)Cc2ccc(Cl)s2)c1 509512693 WFMKITKUIBCLET-UHFFFAOYSA-N 321.829 4.538 30 20 DJED Cc1cccc([C@H]2CCCCCN2C(=O)c2cccc(C#N)c2)c1 522731884 KCRAKEQASNZEFF-HXUWFJFHSA-N 318.420 4.624 30 20 DJED C=CCN(Cc1ccccc1)Cc1ncc(-c2ccccc2F)o1 525120774 UNFVWWGIXIGVBD-UHFFFAOYSA-N 322.383 4.669 30 20 DJED CCC(C#N)(CC)C(=O)Nc1cccc(-c2ccccc2OC)c1 528515618 AAWNHADKFYHALB-UHFFFAOYSA-N 322.408 4.631 30 20 DJED C=CCC[C@H](NCCc1csc(-c2ccccc2)n1)C1CC1 533362232 ZZHQWZSSKIVNNU-SFHVURJKSA-N 312.482 4.687 30 20 DJED CC[C@@H](C)Oc1cc(C)ccc1CN[C@@H](C)c1cccc(C#N)c1 537295966 PNHCKCJYGSHTDF-SJORKVTESA-N 322.452 4.895 30 20 DJED C=CCN(C(=O)c1cc(C)n(C2CCCCC2)n1)c1ccccc1 539551621 YEKWNDNLGUPRJV-UHFFFAOYSA-N 323.440 4.530 30 20 DJED N#C[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 549997609 NHSWYEIGSTUNIN-VJUNAUMWSA-N 322.374 4.623 30 20 DJED C=CCC[C@H](Nc1cnn(-c2ccccc2F)c1)c1ccco1 560552822 HQXGAOBZNBHVKN-INIZCTEOSA-N 311.360 4.724 30 20 DJED N#Cc1ccc(CNc2cccc(Br)c2Cl)cc1 571650815 MCPRQJHJDQIBLC-UHFFFAOYSA-N 321.605 4.586 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CCc2ccc(F)cc21 577006101 JXZQWHPZJGNBNC-NHCUHLMSSA-N 320.411 4.742 30 20 DJED C=CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C 588031151 RCHUCYXKPRCLPI-UHFFFAOYSA-N 300.229 4.697 30 20 DJED CCN(CCOC1CCCCCC1)[C@H](C)c1ccc(C#N)cc1 609850448 FATMFHRNUYAFQL-QGZVFWFLSA-N 314.473 4.681 30 20 DJED C=CCCCCCN(C)C(=O)Nc1cccc(CSC)c1 610099249 NHVOQOHATSEKSN-UHFFFAOYSA-N 306.475 4.760 30 20 DJED CC(C)(C#N)CCCOc1ccc2ccc(C(F)(F)F)nc2c1 610915207 ILHZBOUXGAZBMH-UHFFFAOYSA-N 322.330 4.962 30 20 DJED C=CCN(CC1CCCCC1)C(=S)N[C@H]1CCCC[C@@H]1C 732625977 WSAXXTHAVLAENG-RDJZCZTQSA-N 308.535 4.508 30 20 DJED Cc1csc([C@@H](C#N)C(=O)[C@H](CC2CCCCC2)C(C)C)n1 734704674 VUSSHOZHGDBSJN-CVEARBPZSA-N 318.486 4.870 30 20 DJED C=CC[C@@H](C)NC(=S)Nc1c(Cl)ccc(C)c1Cl 734988086 VZSMJWAOMABMQL-SECBINFHSA-N 303.258 4.553 30 20 DJED C=CCN(Cc1cccc(Cl)n1)Cc1ccc(Cl)s1 743835957 LYWLCYJLFQHOED-UHFFFAOYSA-N 313.253 4.638 30 20 DJED Cc1cc(C)cc(C(=O)/C=C\c2coc(-c3ccccc3)n2)c1 749892048 QZWDYZVQEVYYNK-HJWRWDBZSA-N 303.361 4.855 30 20 DJED CCC1(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)CCC1 751827985 ZBWVEOLAKDSZGG-OAHLLOKOSA-N 324.449 4.875 30 20 DJED CCCCCCCCCCC(=O)N1CCC([C@H]2CCOC2)CC1 752998415 BLZNJKPWKJWCHF-IBGZPJMESA-N 323.521 4.792 30 20 DJED FC(F)(F)c1ccc(Cl)c(C=Nn2cnc3ccccc32)c1 753695768 RVOZAGYZRJITAY-UHFFFAOYSA-N 323.705 4.591 30 20 DJED O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)c1ccco1 753717620 NKDBLPVGURCDPV-ZZXKWVIFSA-N 300.663 4.848 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 758486403 NLPSVXKEIFBMLX-UHFFFAOYSA-N 318.848 4.647 30 20 DJED N#Cc1c(F)ccc(/C=C/C(=O)c2cc(F)ccc2F)c1Cl 761476862 KWNTWICSUWQCSU-QHHAFSJGSA-N 321.685 4.525 30 20 DJED CCCCCCCS(=O)(=O)Cc1cccc(C(F)(F)F)c1 764729592 RHTNDJGJCWKGBM-UHFFFAOYSA-N 322.392 4.591 30 20 DJED CCCCCCC[C@H](C)CNC(=O)Nc1c(C)nn(CC)c1C 772500063 QQEGKCQKTIVFRE-AWEZNQCLSA-N 322.497 4.638 30 20 DJED Clc1cccc(-c2ccc(C=NOC3CCOCC3)s2)c1 774441289 KEHJBCOAFJBHKX-UHFFFAOYSA-N 321.829 4.598 30 20 DJED COc1ccc(C(=O)/C=C\c2cc(F)cc(Cl)c2)c(F)c1 776722906 YVKREDGACNKTSD-DJWKRKHSSA-N 308.711 4.523 30 20 DJED CC[C@H](C)c1ccc(C(=O)Nc2ccccc2O[C@H](C)C#N)cc1 780165941 STYXFOZSFXOSML-LSDHHAIUSA-N 322.408 4.743 30 20 DJED FC(F)(F)c1cnc(NN=C2CCC23CCCC3)c(Cl)c1 788697594 DODNBOIWMYEHTL-UHFFFAOYSA-N 317.742 4.876 30 20 DJED N#C[C@H](C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1nc2ccccc2o1 796818603 OXOXQNZIETWJCU-QKPAOTATSA-N 322.408 4.611 30 20 DJED COc1ccc2c(c1F)C/C(=C\c1ccc(C(F)F)cc1)C2=O 809158322 ZWWQCCUTKRPVRZ-XYOKQWHBSA-N 318.294 4.594 30 20 DJED COc1cccc(O)c1C=Nc1ccc(Nc2ccccc2)cc1 812391533 JDHUBZWFGDTXNC-UHFFFAOYSA-N 318.376 4.895 30 20 DJED CCCC(=CC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)CCC 813215289 WAPZZTCKBBBKNL-CQSZACIVSA-N 324.346 4.803 30 20 DJED COCc1ccccc1/C=C(/C)C=NOCc1ccc(F)cc1 814226607 GBOHXFZEKIANKM-QHIPEDTBSA-N 313.372 4.578 30 20 DJED CC[C@@H](NCc1oc2ccccc2c1OC)c1cccc(C#N)c1 902969332 CEYGIPZKEJPSQJ-QGZVFWFLSA-N 320.392 4.554 30 20 DJED CCCCCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915086352 UKWAJUJTBBHPMO-LJQANCHMSA-N 306.409 4.861 30 20 DJED CC(=NNc1ccccc1Cl)c1cccc(OC(F)F)c1 916262553 QNCGYIAKHRDRRJ-UHFFFAOYSA-N 310.731 4.778 30 20 DJED C=CCC(CC=C)c1nnc(CCSc2ccc(F)cc2)o1 1117249212 PAXKXXQGPBNYGZ-UHFFFAOYSA-N 318.417 4.779 30 20 DJED C[C@H]1CC[C@H](c2ccccc2)N(Cc2cccc(F)c2C#N)C1 1308757163 RCBZYQYPCKKPNF-MGPUTAFESA-N 308.400 4.671 30 20 DJED N#CC1(c2nnc(Cc3ccc4ccccc4c3)o2)CCCCC1 1326496887 MTWRGIZBECBHRG-UHFFFAOYSA-N 317.392 4.539 30 20 DJED C=CCC[C@@H](C(=O)Nc1ccc2ncccc2c1)c1ccccc1 1338395179 SASCUAHJDVEVRE-LJQANCHMSA-N 316.404 4.923 30 20 DJED CC(C)C[C@@H](c1ccccc1)c1nnc(-c2cccc(C#N)c2)o1 1346625901 IPTASWGVQUXCDB-SFHVURJKSA-N 317.392 4.786 30 20 DJED CCCC[C@H](C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1)C(C)C 1350597235 WNWNHBNNFVMXTL-APWZRJJASA-N 314.473 4.930 30 20 DJED CC(C)[C@H](Nc1ccc(OCC#N)cc1)c1ccc(F)cc1F 1352072146 MJFABVGGLKIPBS-SFHVURJKSA-N 316.351 4.676 30 20 DJED CC[C@@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 1435776024 WLGHREMTYMKERO-GOSISDBHSA-N 307.393 4.796 30 20 DJED Cc1ccc(C(=O)N[C@H](CC2CCC2)c2ccccc2)cc1C#N 1458388277 WKODSKWDEUCNAJ-HXUWFJFHSA-N 318.420 4.528 30 20 DJED Cc1ccc(C)c([C@@H]2CCCN2Cc2ccc(C#N)cc2F)c1 1474345028 YSRLHOZEUQMDPF-FQEVSTJZSA-N 308.400 4.651 30 20 DJED CCC(CC)(CN[C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 1474640884 QFHDDCVYFXWPPD-MAUKXSAKSA-N 302.437 4.555 30 20 DJED CC(C)CCC1CCN(C(=O)CC2(C#N)CCCCC2)CC1 1517055955 HDTVIWZIGFDOTJ-UHFFFAOYSA-N 304.478 4.525 30 20 DJED CCC[C@H]1CCC[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 1530388319 LOKOUKSKRYZIHY-QWHCGFSZSA-N 316.470 4.653 30 20 DJED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCCc1cccc(F)c1 1559554898 NJUVWOOXUYSVFF-SFTDATJTSA-N 322.427 4.530 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)C[C@H](C)C3CC3)c2C#N)[C@H](C)C1 1583688965 CASMPQSCWMEHFK-SDDRHHMPSA-N 316.470 4.680 30 20 DJED C[C@H](NCCC1(C#N)CCCCC1)c1cccc(OC(F)F)c1 1645089378 FGXZJNOTWBZHMM-AWEZNQCLSA-N 322.399 4.803 30 20 DJED Cc1cccc(Oc2ccc(Nc3ncc(C#N)cc3F)cc2)c1 1654873285 PVZSHTOVSWCDQM-UHFFFAOYSA-N 319.339 4.937 30 20 DJED N#Cc1ccccc1OCc1cc(Br)ccc1Cl 1656088635 AJUQOBSIRYXWAB-UHFFFAOYSA-N 322.589 4.553 30 20 DJED CC(C)CC[C@@H]1CC[C@H](Nc2ccccc2O[C@@H](C)C#N)C1 1658578179 WYTQBJSHIWDXOA-BBWFWOEESA-N 300.446 4.994 30 20 DJED C[C@@H]1CCC[C@H](NC(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1670294217 JWTVOTPTQOVUBS-NEPJUHHUSA-N 319.474 4.617 30 20 DJED CCC(=NNc1ccccc1C(=O)O)c1cccc2ccccc12 1776030585 SUJLFDDNAOZJDN-UHFFFAOYSA-N 318.376 4.764 30 20 DJED CC(CCCCc1ccccc1)=NNc1ccc(CC(=O)O)cc1 1776085668 DFZHVTNBJYZQGD-UHFFFAOYSA-N 324.424 4.515 30 20 DJED CCCCCCCCCC[C@@H](C)Nc1cnc(C(=O)O)cn1 1776785292 QJBBXOUIUZZTNO-CQSZACIVSA-N 307.438 4.506 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1ccccc1CC 1776787042 KZGQEINHTSRBQZ-GOSISDBHSA-N 305.462 4.542 30 20 DJED CCSc1ccccc1C(=O)Nc1ccc(C#N)c(Cl)c1 7068943 KZEGBPCIXOKIAS-UHFFFAOYSA-N 316.813 4.576 30 20 DJED COc1ccc([C@@H]2CCCCCN2Cc2cccc(C#N)c2)cc1 45511753 SCGRMEPHOYAIHE-NRFANRHFSA-N 320.436 4.684 30 20 DJED CCOc1ccc(C(=O)/C=C/c2ccccc2OC(F)F)cc1 57457478 WBCGGJJZLSWXOU-FMIVXFBMSA-N 318.319 4.583 30 20 DJED O=C(/C=C\c1ccccc1OCc1ccccn1)c1cccs1 96942774 VRLGWTBMEYYBAQ-KHPPLWFESA-N 321.401 4.618 30 20 DJED CC(C)c1noc([C@@H](C)S[C@H](C)c2ccc(C#N)cc2)n1 118444155 JJTYBVZPUJYOTP-VXGBXAGGSA-N 301.415 4.620 30 20 DJED CCCOc1cccc(CN[C@H](CCC#N)c2ccccc2)c1 130609816 LPLRCAXBESPUFP-HXUWFJFHSA-N 308.425 4.610 30 20 DJED Cc1c(C(=O)N[C@@H](CCC#N)c2ccccc2)oc2ccccc12 153477188 KRHKFJXIQGBCCK-KRWDZBQOSA-N 318.376 4.516 30 20 DJED C[C@@H](Nc1ccc2nc(C3CC3)oc2c1)c1ccc(C#N)cc1 182893364 FVYBATOFZARNCL-GFCCVEGCSA-N 303.365 4.750 30 20 DJED C=CCn1c(SCc2ccc3ccccc3c2)nnc1C1CC1 194458821 FZFWPZXNVQHWGA-UHFFFAOYSA-N 321.449 4.787 30 20 DJED COc1cccc2cc(C(=O)/C=C\c3cccc(F)c3F)oc12 209918686 CRYQUAQLAXIACA-HJWRWDBZSA-N 314.287 4.616 30 20 DJED Cc1cccc(C(=O)/C=C\c2c(C)nn(-c3ccccc3)c2C)c1 210604224 UNZUFGZVJUULRW-SEYXRHQNSA-N 316.404 4.694 30 20 DJED CC[C@@H]1CCC[C@H](Nc2ccc(C#N)c(Br)c2)C1 228189255 PPDHZMXIEUKKJK-YPMHNXCESA-N 307.235 4.701 30 20 DJED Cc1cc([C@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)c(C)s1 271941977 OYDGGWCILWFXBG-RYUDHWBXSA-N 302.418 4.788 30 20 DJED CC(=O)Nc1cccc(CSCCCCC(C)(C)C#N)c1 277950912 RDJBNDISDDNTDQ-UHFFFAOYSA-N 304.459 4.598 30 20 DJED CC[C@@H](Nc1ccc2cc(C#N)ccc2n1)c1ccc(OC)cc1 301813675 ICNKROJSYDFOFL-GOSISDBHSA-N 317.392 4.678 30 20 DJED CC[C@@H](C)[C@H](C(=O)Nc1cc(C#N)ccc1C)c1ccccc1 320292440 QVUUTMPHUWKAQT-KUHUBIRLSA-N 306.409 4.635 30 20 DJED C[C@H](N[C@@H]1CCCCC12CCCC2)c1ccc(OCC#N)cc1 324098729 IPYPDBFFLQNMNY-QFBILLFUSA-N 312.457 4.743 30 20 DJED CCc1nc(C)c(C/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)o1 329352926 FVKOHPMXIIQDLB-RRFJBIMHSA-N 304.434 4.608 30 20 DJED CCc1sc(C(O)=Nc2sc(C)c(C)c2C#N)cc1C 330451738 AEYOXQNVETVDEL-UHFFFAOYSA-N 304.440 4.805 30 20 DJED COc1ccc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)c(C)c1 414087314 ADNMJZFQWQLRDV-UZLBHIALSA-N 308.425 4.699 30 20 DJED N#Cc1c(Cl)cccc1N1CCC(OC2CCCCC2)CC1 450294304 MIFKEJROOOPCKR-UHFFFAOYSA-N 318.848 4.530 30 20 DJED C=CC1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)CC1 476159067 PPXYEFIVJMFERI-KRWDZBQOSA-N 318.436 4.521 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1cnc(C(C)(C)C)s1 482911353 MYFMDLWUALABAO-UHFFFAOYSA-N 320.502 4.649 30 20 DJED CCc1nc(CSCc2ccccc2C(C)(C)C#N)cs1 486766726 BPZNNVJFJVYLIX-UHFFFAOYSA-N 316.495 4.940 30 20 DJED C=CCCCCCN(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 488293365 FWHBCAUXTYLODD-OALUTQOASA-N 305.437 4.724 30 20 DJED CC(C)(CC(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 494610191 YLKBBHNILPLPQU-UHFFFAOYSA-N 312.800 4.518 30 20 DJED C=CCN(Cc1ccccc1)C(=O)c1cccc(C(F)(F)F)c1 497799588 VUWPRGIDANBOFT-UHFFFAOYSA-N 319.326 4.534 30 20 DJED N#CCCSc1ccccc1NC(=O)[C@H]1CC12CCCCC2 532433222 DSYHASDZXJXTTO-CQSZACIVSA-N 314.454 4.601 30 20 DJED Cc1ccc([C@H](C)NC2CCC(Oc3ccccc3C#N)CC2)o1 537980031 GLXHRWAUQSHOQD-ZLPCBKJTSA-N 324.424 4.501 30 20 DJED C[C@@H](N[C@@H](c1cccs1)C1CC1)c1ccc(C#N)c(F)c1 540707676 CBXAXEFDRVYBLV-PIGZYNQJSA-N 300.402 4.561 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)CCC(C)(C)C 541584286 PNLZPILCBPOHOH-INIZCTEOSA-N 314.473 4.758 30 20 DJED CC[C@H](CC(F)(F)F)Nc1ccc(C(F)(F)F)cc1C#N 545474051 SCCLOLFUHAUBHQ-SNVBAGLBSA-N 310.241 4.720 30 20 DJED Cc1ccccc1-c1noc(-c2ccc(C(C)(C)C#N)cc2)n1 554788313 ANVOOTRNRLKXLV-UHFFFAOYSA-N 303.365 4.513 30 20 DJED CC(C)Sc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 558741025 HHZYLAVHTCGWIU-OAHLLOKOSA-N 310.466 4.910 30 20 DJED C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(CC#N)cc1Cl 562557596 PSKVBORPJGYGTC-JSGCOSHPSA-N 304.821 4.561 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](c1ccccc1)C1CC1 577237142 MOAUWOPSEOWDFD-SFTDATJTSA-N 302.421 4.677 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2CCC[C@@H]2c2ccccc2)n1 613410448 LVGSKAWPTXLMRX-QGZVFWFLSA-N 305.425 4.592 30 20 DJED CCc1cc(Nc2ccc(C#N)c(Br)c2)ccc1F 690115063 XWIADRWLDABTQB-UHFFFAOYSA-N 319.177 4.766 30 20 DJED Cn1cc(C(=O)/C=C/c2ccc(Cl)s2)c2ccccc21 726740635 MPQTYTIATLGYAD-SOFGYWHQSA-N 301.798 4.789 30 20 DJED C#Cc1cccc(N(C)C(=O)c2ccc(OCCCCC)cc2)c1 728482933 RPSBHKZEIAOXSK-UHFFFAOYSA-N 321.420 4.514 30 20 DJED C[C@@H](C#N)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1 728694841 LAFRQQSSOYGIFZ-YKWSONSWSA-N 311.768 4.527 30 20 DJED N#C[C@@H](C(=O)CC1CCCCC1)c1nc2cc(F)ccc2s1 730416943 JXXIIGGYQSQOGD-ZDUSSCGKSA-N 316.401 4.582 30 20 DJED CCCCCCCCC(=O)NC1(c2nccs2)CCCC1 734788606 HKVLWMKNIBAWRW-UHFFFAOYSA-N 308.491 4.779 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1nccc2ccccc12 740764905 KEGKOBJFCZPXFB-KTKRTIGZSA-N 319.408 4.525 30 20 DJED CCCCCCCC(=O)N1CCC(OCC2CCCCC2)CC1 741997948 OXYINJQARUICMJ-UHFFFAOYSA-N 323.521 4.935 30 20 DJED C[C@@H](/N=C/c1cc(Cl)cc(Cl)c1O)c1cccc(C#N)c1 743501604 OOWGUWBHDIQGLM-KTMXNEEYSA-N 319.191 4.751 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2cc3cc(Cl)ccc3o2)s1 748998722 OJPVDLJIPVTAII-PLNGDYQASA-N 313.765 4.915 30 20 DJED CCc1ccc(C(=O)/C=C/c2csc(Br)c2)o1 752238026 NQGQWNORXPTOJC-HWKANZROSA-N 311.200 4.562 30 20 DJED N#CC1(CN[C@H]2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 754476624 NHAUNKLJOKBSCU-HOTGVXAUSA-N 322.374 4.625 30 20 DJED CCCCCCCCC(=O)N1C[C@H]2CCC(=O)c3cccc1c32 766594510 JKSXXGFYQBXYPY-OAHLLOKOSA-N 313.441 4.844 30 20 DJED C=CCC[C@H](N[C@@H](C)c1ccc2c(c1)CCO2)c1ccccc1 773079225 XQSCWZMXWTUQQD-JXFKEZNVSA-N 307.437 4.980 30 20 DJED CC(=NNc1ccc(C#N)c(Cl)c1)C1CCC(F)(F)CC1 788723508 STHJDRGYFGYHKN-UHFFFAOYSA-N 311.763 4.825 30 20 DJED C[C@@H](C#N)OCCS[C@@H](C)c1ccc(Cl)c(Cl)c1 801657565 FXUZAENCMGLYFN-UWVGGRQHSA-N 304.242 4.716 30 20 DJED CC(CC(C)(C)c1c[nH]c2ccccc12)=NOCCOC(C)C 812240733 ZNYXZVVEPXZOBH-UHFFFAOYSA-N 316.445 4.653 30 20 DJED CC(C)c1nc(C(=O)/C=C\c2ncc(C(C)(C)C)s2)cs1 812243454 MQOUYZLFGHXGSS-SREVYHEPSA-N 320.483 4.917 30 20 DJED COc1cccc(O)c1C=Nc1cccc(Nc2ccccc2)c1 812392922 ANAUMJDNXNLARM-UHFFFAOYSA-N 318.376 4.895 30 20 DJED C=C[C@H](CC(=O)OCc1oc(C(C)C)nc1C)c1ccccc1 813227547 ISSYMLCWOXQJLS-OAHLLOKOSA-N 313.397 4.510 30 20 DJED CC(CCc1ccsc1)=NNc1cc(C(F)(F)F)ccn1 834984129 OSHFMUPIYKIKDO-UHFFFAOYSA-N 313.348 4.583 30 20 DJED CC(C)(C#N)CCCCOC(=O)c1ccc(C(F)F)cc1F 848805348 SEZBMZZXTPGHDO-UHFFFAOYSA-N 313.319 4.640 30 20 DJED C=CCN(C(=O)c1ccc(C2SCCS2)cc1)C(C)(C)C 857651319 XLSZBBMZTQECHV-UHFFFAOYSA-N 321.511 4.592 30 20 DJED CCCCCCCCSc1nnc(-c2ccncc2)n1CC 915791775 XQHACSKYTNCGJT-UHFFFAOYSA-N 318.490 4.813 30 20 DJED O=C1/C(=C/c2ccc(OC(F)F)cc2)Cc2c(Cl)cccc21 921264468 UNVQQJWIPFCIOA-DHZHZOJOSA-N 320.722 4.764 30 20 DJED O=C(/C=C/c1ncc(-c2ccccc2)[nH]1)c1coc2ccccc12 1116803664 AYJWFRXNBOVFSF-ZHACJKMWSA-N 314.344 4.719 30 20 DJED C[C@H](CCCc1ccccc1)c1nnc(-c2ccc(C#N)cc2)o1 1117214019 GQBVBGAADJOJNN-OAHLLOKOSA-N 317.392 4.735 30 20 DJED CC[C@@H]1CN(Cc2ccc(F)cc2C#N)CC[C@@H]1c1ccccc1 1167603771 ZLQHUKBGWKMLOK-IERDGZPVSA-N 322.427 4.713 30 20 DJED C[C@@H](c1ccc(F)cc1)N(C)c1nc(C(C)(C)C)ccc1C#N 1184673582 MBXOSYYYLLDJCT-ZDUSSCGKSA-N 311.404 4.587 30 20 DJED Cc1cc(C#N)nc(NCC2(C3CCCCC3)CCCCC2)n1 1307082533 FTLAJTUKRMQVSW-UHFFFAOYSA-N 312.461 4.599 30 20 DJED Cc1cc(CSc2cccc(C#N)c2)ccc1Br 1307309041 FLXRFZTXVYTNIF-UHFFFAOYSA-N 318.239 4.922 30 20 DJED CC(C)c1ccc(CCNc2ccccc2O[C@H](C)C#N)cc1 1308635118 KOGJVELDYPQEEA-MRXNPFEDSA-N 308.425 4.755 30 20 DJED N#Cc1cccc(C#N)c1Nc1ccc(OC2CCCC2)c(F)c1 1458208873 MRNJDDHONSHZJP-UHFFFAOYSA-N 321.355 4.634 30 20 DJED C[C@@H](C#N)Oc1ccccc1NC1CCC(C(C)(C)C)CC1 1474387017 KLSNRMDYEUEVDP-FHERZECASA-N 300.446 4.994 30 20 DJED CN(CC1CCCC1)C(=O)Nc1scc(C(C)(C)C)c1C#N 1476647086 YASAXCURDGNMFU-UHFFFAOYSA-N 319.474 4.571 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)[C@@H](F)CC1CCCCC1 1525266248 QXBBIDNIFGASMO-SFHVURJKSA-N 324.399 4.958 30 20 DJED CC(C)[C@@H]1CCc2ccccc2N1C(=O)CC1(C#N)CCCCC1 1536485844 DKRNPHLTFNOARE-SFHVURJKSA-N 324.468 4.855 30 20 DJED Cc1c([C@H](C)OC(=O)c2ccc(CC#N)cc2)oc2ccccc12 1537173467 WRTKEOQIIFWEMB-AWEZNQCLSA-N 319.360 4.725 30 20 DJED N#Cc1ccc(SCc2nsc3ccccc23)c(F)c1 1559375529 YAWZLRJMOBLVOR-UHFFFAOYSA-N 300.383 4.599 30 20 DJED C[C@H](c1ccccc1)N(Cc1ccc(C#N)s1)CC1CCC1 1559552644 IMRHDKKLSXKLLC-OAHLLOKOSA-N 310.466 4.983 30 20 DJED CCc1ccc([C@H]2CCCN(Cc3cccc(C#N)c3)C2)cc1 1559815186 ZHXQSOCHCWRNLO-NRFANRHFSA-N 304.437 4.500 30 20 DJED Cc1cc(CN2CC3(CCCC3)c3cccc(F)c32)ccc1C#N 1652404517 RNLVALWDBLJTCN-UHFFFAOYSA-N 320.411 4.838 30 20 DJED CC(C)(C#N)CCCN1CCCSc2ccc(Cl)cc21 1653653265 SJTCWNDIRIJINU-UHFFFAOYSA-N 308.878 4.972 30 20 DJED CN(Cc1ccc(CC#N)cc1)[C@@H]1CCC[C@H]1c1ccccc1 1653848483 UOGPNPDLRICCBU-LEWJYISDSA-N 304.437 4.521 30 20 DJED Cc1cccc(CCCN2CCC(c3ccc(C#N)cc3)CC2)c1 1655733473 NTWLZTKRVUPCOZ-UHFFFAOYSA-N 318.464 4.679 30 20 DJED C[C@H](CC(C)(C)C#N)NCCc1cccc(-c2ccccc2)c1 1659725602 VKSUIWBAHKOYOI-QGZVFWFLSA-N 306.453 4.814 30 20 DJED O=C(O)c1ccc(NN=C2CC=C(c3ccc(F)cc3)CC2)cc1 1776013227 JWXKZLGATZQCBX-UHFFFAOYSA-N 324.355 4.559 30 20 DJED CCCCc1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)cc1 43189881 IJXQXEZWUMTGHO-UHFFFAOYSA-N 321.424 4.565 30 20 DJED Cc1ccc(CNc2c(C#N)cnc3ccc(Cl)cc23)cc1 64438692 GJUSPBGOBSYTNG-UHFFFAOYSA-N 307.784 4.680 30 20 DJED CC(C)Oc1ccc(NC(=O)C2(C#N)CCCCC2)c(Cl)c1 188304212 JADYWXFLCVBUSB-UHFFFAOYSA-N 320.820 4.540 30 20 DJED CCC(CC)[C@@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1 195611718 LCNQPSCCIYITLG-HXUWFJFHSA-N 320.436 4.660 30 20 DJED COc1ccc([C@H](C)N[C@@H](CCC#N)c2ccccc2)c(C)c1 414087311 ADNMJZFQWQLRDV-JXFKEZNVSA-N 308.425 4.699 30 20 DJED C=CCC(CC=C)C(=O)Nc1cc(Cl)ccc1OC(F)F 425048956 OVFLTTGIVRSNBE-UHFFFAOYSA-N 315.747 4.648 30 20 DJED CCSc1ccc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1 425123616 DOYWXWBOQCYCCX-AWEZNQCLSA-N 324.449 4.503 30 20 DJED N#C[C@@H]1CC[C@@H](N[C@H]2CCc3ccc(-c4ccccc4)cc32)C1 427864795 FZMHTGCCBFUIJN-VMRPVKRXSA-N 302.421 4.623 30 20 DJED N#Cc1cc(CSc2nc(-c3ccccc3)co2)ccc1F 436244942 SQZUTBPEQCOPSP-UHFFFAOYSA-N 310.353 4.645 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCC1CCCC1 464953462 ORFWXGVDWHXDLI-UXHICEINSA-N 324.468 4.645 30 20 DJED C=CCCC1(C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)CC1 475165050 KDZUDWJAJWEDEW-UHFFFAOYSA-N 322.408 4.867 30 20 DJED C=C(C)[C@H](N[C@@H](C)c1ccccc1OC)c1ccc(F)c(F)c1 480657414 HDTDCLBKENVTEY-DJJJIMSYSA-N 317.379 4.941 30 20 DJED C=CCCCC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 480903019 VXNQWEFWQUUXIF-UHFFFAOYSA-N 301.336 4.927 30 20 DJED C[C@@H](NC[C@H]1CCSC1)c1ccc(-c2cccc(C#N)c2)cc1 487571579 INYKELJUYSWMMT-NVXWUHKLSA-N 322.477 4.629 30 20 DJED CCCCN(C(=O)c1cccc(C#N)c1)[C@@H](C)c1ccccc1 498815213 IABCQWPYFTZSBL-INIZCTEOSA-N 306.409 4.562 30 20 DJED CCCc1ccc(CSCCCC2(C#N)CCOCC2)cc1 507695522 UZOLJLZMLUBNMR-UHFFFAOYSA-N 317.498 4.973 30 20 DJED CCCN(Cc1cccc(C#N)c1)[C@H](C)c1ccccc1OC 508607699 BWACDZNJLWCCOD-MRXNPFEDSA-N 308.425 4.540 30 20 DJED CCN(CC#N)Cc1ccc(-c2cccc(Cl)c2Cl)o1 511496525 RDBBBJNJJWOPPO-UHFFFAOYSA-N 309.196 4.599 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)c1ccccc1F 512506267 JHRYBQMUNUTMPN-INIZCTEOSA-N 315.436 4.742 30 20 DJED C=CCC[C@@H](NCc1ccc(Br)cc1)c1ccco1 513671306 BUPPEZBDXXXZQQ-OAHLLOKOSA-N 320.230 4.839 30 20 DJED C[C@@H](Cc1ccccc1C(F)(F)F)N(C)CCC(C)(C)C#N 519663852 SIVRLEZFONUBEZ-ZDUSSCGKSA-N 312.379 4.508 30 20 DJED N#Cc1cccnc1NCc1ccccc1-c1ccc(Cl)cc1 524265403 HSMIVFKAVAIWES-UHFFFAOYSA-N 319.795 4.886 30 20 DJED C=CCC[C@H](NC(=O)N(C1CCCC1)C1CC1)c1ccccc1 532519683 XXKPEWXVTYGPTK-IBGZPJMESA-N 312.457 4.811 30 20 DJED C=C1CCN([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 532556504 LKOKCGLIGCSOMU-KRWDZBQOSA-N 320.436 4.652 30 20 DJED CSc1ccc(C)c(NC(=O)Nc2cccc(C#N)c2C)c1 537258511 RMCPRKKZRCPSMV-UHFFFAOYSA-N 311.410 4.541 30 20 DJED C=CCC(CC=C)C(=O)Nc1cnn(-c2ccccc2)c1CCC 542171872 JHAKJCURXVVWOO-UHFFFAOYSA-N 323.440 4.532 30 20 DJED Cc1ccnc(N[C@H](Cc2ccccc2)c2cccs2)c1C#N 544068855 BMBLDWIAMPXHOK-QGZVFWFLSA-N 319.433 4.719 30 20 DJED N#C[C@@H]1CC[C@H](N2CCC[C@H](Cc3csc4ccccc34)C2)C1 569112372 AKIUUVQGQREHQY-NUJGCVRESA-N 324.493 4.848 30 20 DJED COc1ccccc1-c1ccc([C@@H](C)NC[C@@H](C)CCC#N)cc1 602561787 FWBKUMHIIVEHOT-DLBZAZTESA-N 322.452 4.953 30 20 DJED Cc1cccc2c(N3CCc4sccc4[C@@H]3C)c(C#N)cnc12 610514391 NDSAKTUGXYGTQT-ZDUSSCGKSA-N 319.433 4.600 30 20 DJED FC(F)(F)c1cccnc1NN=C(Cc1ccccc1)C1CC1 729141742 FIWSWMJNYRMQIY-UHFFFAOYSA-N 319.330 4.521 30 20 DJED Cc1ccc2cc(C(=O)/C=C\c3csc([N+](=O)[O-])c3)oc2c1 754831048 UZPHONRAZYTINK-HYXAFXHYSA-N 313.334 4.607 30 20 DJED CC(C)=CCC[C@H](C)CC=NNc1nc(O)c2ccccc2n1 757582648 FBFZKZSNLUQBGG-AWEZNQCLSA-N 312.417 4.506 30 20 DJED CC(=NNc1ccc(Cl)c(Cl)c1)c1ccc(N)cc1C 758097882 ICFUCOADIKRSFY-UHFFFAOYSA-N 308.212 4.720 30 20 DJED N#CCc1ccc(NCc2cc(-c3ccccc3)ccc2O)cc1 759138709 CRCWBCRQPLYQMO-UHFFFAOYSA-N 314.388 4.737 30 20 DJED O=C(/C=C/c1ccc(F)cc1Br)c1cccs1 767717121 UJSXNTGBUFMGDB-GQCTYLIASA-N 311.175 4.546 30 20 DJED C[C@H](CC(=O)OCCCCC(C)(C)C#N)c1ccc(F)cc1F 768790148 GGVUNSKWTWBLSG-CYBMUJFWSA-N 323.383 4.722 30 20 DJED C#CC[C@@H](N[C@H](C)c1sc(C(C)C)nc1C)c1ccccc1 773115168 MTDWDQRNWQMQSU-RHSMWYFYSA-N 312.482 4.990 30 20 DJED CC(C)(C#N)CCCOC(=O)c1cc2cccc(Cl)c2o1 784064854 FWSPKHQKXOLQEA-UHFFFAOYSA-N 305.761 4.573 30 20 DJED CC(C)c1ncc(/C=C/C(=O)c2ccc(C#N)cc2Cl)s1 788361190 WHZXMGFVNCOEJH-GQCTYLIASA-N 316.813 4.688 30 20 DJED CCCCCCCC[C@@H](C)CC(=O)N(C)c1nnc(C)s1 794027861 XENNLVADTCXOJK-CYBMUJFWSA-N 311.495 4.586 30 20 DJED CC(=C/c1cccc([N+](=O)[O-])c1)/C=C/C(=O)c1cc(C)c(C)o1 799896686 XWAWYAYJODBUPO-GHYOLMRSSA-N 311.337 4.647 30 20 DJED C#CCN(Cc1ccccc1)C(=O)Nc1ccccc1C(C)(C)C 806114470 OQXUCIYEEOILNK-UHFFFAOYSA-N 320.436 4.651 30 20 DJED C=CCN(C(=O)N[C@@H](C)c1ccc(F)c2ccccc12)C(C)C 807622452 TYRLWOHWLSHBGS-AWEZNQCLSA-N 314.404 4.646 30 20 DJED C[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1CCC1 837344882 WQBKPOPVQGWVNO-YWZLYKJASA-N 318.420 4.717 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)c2ccccc2C(C)C)n1 850873630 NJVSWUZLLPMITC-OAHLLOKOSA-N 312.438 4.880 30 20 DJED N#CC1(CCCC[S@](=O)Cc2sccc2Cl)CCC1 899410212 WNSGHSLBYBZTDN-IBGZPJMESA-N 315.891 4.514 30 20 DJED C=CC[C@@H](c1ccccc1)c1nc(-c2ccc(F)cc2F)no1 904806433 JQVQGGOWCMLTOS-AWEZNQCLSA-N 312.319 4.723 30 20 DJED Cc1ccc(C(=O)N(c2cccc(C#N)c2)C2CCC2)cc1Cl 1130955308 HIQRAYRSGDYMGY-UHFFFAOYSA-N 324.811 4.719 30 20 DJED CCNc1ccc(C#N)cc1NC(=O)c1ccc(C(C)(C)C)cc1 1137526015 RQPMADXQUUWVEE-UHFFFAOYSA-N 321.424 4.540 30 20 DJED C[C@H]1CC(CCN(Cc2ccc(C#N)cc2)C2CC2)C[C@H](C)C1 1168415064 YCSLCFICBUSSLO-IAGOWNOFSA-N 310.485 4.985 30 20 DJED C[C@@H](CCC#N)CN1CC=C(c2cccc3ccccc23)CC1 1180175952 ZSUMSPRQXJXSKS-KRWDZBQOSA-N 304.437 4.869 30 20 DJED C[C@H]1CCCc2ccccc2[C@H]1Nc1nc(C#N)c(Cl)s1 1186043055 GFDLPEYDSIZYKI-HZMBPMFUSA-N 317.845 4.794 30 20 DJED Cc1nc(C#N)cc(NC(C2CCCCC2)C2CCCCC2)n1 1187422909 NDGICGFIRRXVNA-UHFFFAOYSA-N 312.461 4.598 30 20 DJED FC(F)(F)[C@@H]1CCC[C@H](C=NNc2cc(Cl)ccn2)C1 1261653222 FBSMISZZERSXOY-VHSXEESVSA-N 305.731 4.501 30 20 DJED Cc1ccc(C#N)cc1C(=O)Nc1ccccc1-c1cccs1 1351697145 WKGVUKAEZOSQLS-UHFFFAOYSA-N 318.401 4.848 30 20 DJED N#Cc1ccc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c(Cl)c1 1457794017 KFKPWFGYIVHYMN-QLFBSQMISA-N 316.832 4.757 30 20 DJED C[C@H]1CCC[C@@H](Nc2c(Br)cccc2C#N)CC1 1472759988 SLCUJPASWPXDFE-WCQYABFASA-N 307.235 4.701 30 20 DJED CCCN(Cc1cccc(C#N)n1)[C@H](C)c1cc2ccccc2o1 1474345862 WWGVVQSDRQYRFA-OAHLLOKOSA-N 319.408 4.673 30 20 DJED CC(C)[C@H]1CN(C(=O)CC2(C#N)CCCCC2)c2ccccc21 1520218871 OHJIQEIWERQJQB-QGZVFWFLSA-N 310.441 4.637 30 20 DJED CC[C@@H](OC(=O)c1ccc(C#N)o1)c1ccc(C(C)(C)C)cc1 1521036515 AEWGZDHUADEHDQ-MRXNPFEDSA-N 311.381 4.757 30 20 DJED Cc1cc(C#N)cc(NC(=O)[C@H](C)c2ccc3ccccc3c2)c1 1583754863 GVVPTZOITKKBQI-OAHLLOKOSA-N 314.388 4.762 30 20 DJED C[C@@H]1C[C@@H](CCNc2c(C#N)nnc3ccccc23)CC(C)(C)C1 1612322217 YKRNOZDTXLPBPS-HUUCEWRRSA-N 322.456 4.766 30 20 DJED N#Cc1cnc(N[C@H]2CCC[C@@H](c3ccccc3)C2)c(Cl)c1 1612353357 ITEIDNBHMVVTAS-CVEARBPZSA-N 311.816 4.745 30 20 DJED Cc1ccc(C#N)c(NCc2ccc(OC3CCCCC3)cc2)n1 1642195792 RRSFBDLJOPCPKO-UHFFFAOYSA-N 321.424 4.585 30 20 DJED Cc1cccc(C)c1COc1ccc(Br)c(C#N)c1 1653117039 SNYCMSUOVJGYCO-UHFFFAOYSA-N 316.198 4.517 30 20 DJED C=CC[C@@]1(C(=O)O)CCN(CCCCCCCCCC2CC2)C1 1776159874 FISZUJRTHLHOFQ-HXUWFJFHSA-N 321.505 4.870 30 20 DJED CC[C@@H](C)c1ccc(/C=C/C(=O)c2csc(C(=O)O)c2)cc1 1776698375 MGKLVXFMESCELS-UVMWJGKXSA-N 314.406 4.856 30 20 DJED O=C(/C=C\c1ccccc1OC(F)F)c1cc2ccccc2o1 35352652 PWZGSINOQMVASQ-KTKRTIGZSA-N 314.287 4.930 30 20 DJED CCN(C(=O)c1cc2ccccc2o1)[C@H](C)c1ccc(C#N)cc1 45499234 VDIMHIXQSYFLTB-CQSZACIVSA-N 318.376 4.528 30 20 DJED Cc1cc(C#N)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 60349589 DWBNQPJOYQYHAU-UHFFFAOYSA-N 322.242 4.586 30 20 DJED Cc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1Br 109432876 WXOOJFFLIQMWMR-LBPRGKRZSA-N 315.214 4.802 30 20 DJED CC1(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 122787085 YFZXUGSDXCBZSC-MRXNPFEDSA-N 324.811 4.734 30 20 DJED C=C[C@@H](CC(=O)N1CCC[C@H]1c1cccs1)c1ccccc1 123473989 JTPXWMLHZGJJIX-RDJZCZTQSA-N 311.450 4.772 30 20 DJED CCCCCCC[S@](=O)Cc1coc(-c2ccccc2)n1 132921084 BFDAYYZUQKNSKF-OAQYLSRUSA-N 305.443 4.561 30 20 DJED C[C@@H](N[C@H](C)c1cc2c(s1)CCCC2)c1ccc(C#N)cc1 154328480 OWSXKWUFGWZFLQ-ZIAGYGMSSA-N 310.466 4.910 30 20 DJED Cc1nc(C)c([C@@H](C)Nc2cccc(OCCCC#N)c2)s1 170972997 CUNCIEFSTFCVOZ-CYBMUJFWSA-N 315.442 4.616 30 20 DJED CC(C)(C#N)CCCNc1ccc(Cl)cc1OC(F)F 186136682 IZBZHNGXOBVTCY-UHFFFAOYSA-N 302.752 4.683 30 20 DJED O=C(/C=C/c1ccccc1OCc1cccnc1)c1ccsc1 194614813 BIOWEGCOVLVLQV-BQYQJAHWSA-N 321.401 4.618 30 20 DJED Cc1ccc(-c2nc(/C=C\C(=O)c3ccccc3F)co2)cc1 255545946 YDIZHETYQPIKSG-KHPPLWFESA-N 307.324 4.685 30 20 DJED CC(C)C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccccc1 319707814 NOMQLSMCIVJUIY-GOSISDBHSA-N 309.369 4.666 30 20 DJED C[C@@H]1CCCC[C@H]1C/N=C(/O)CCc1nc2ccccc2o1 328672005 NVZACEDOZDNCOQ-KGLIPLIRSA-N 300.402 4.543 30 20 DJED N#CCc1ccc(N/C(O)=N/[C@H]2CCCCC23CCCC3)cc1 329634324 TUSCYMXAOHBCMC-KRWDZBQOSA-N 311.429 4.582 30 20 DJED C[C@@H]1C[C@H](C/C(O)=N/[C@@H]2CCCc3c[nH]nc32)CC(C)(C)C1 330164410 VYPWMSPEAAHAFH-UMVBOHGHSA-N 303.450 4.596 30 20 DJED C=C(C)C(C)(C)C(=O)Nc1ccccc1COCc1ccccc1 425471872 HOSLDEQPILAVHU-UHFFFAOYSA-N 323.436 4.944 30 20 DJED C=CCC(C)(C)c1nc(-c2cccnc2Oc2ccccc2)no1 427649749 AQXVSTNRORQSAS-UHFFFAOYSA-N 321.380 4.778 30 20 DJED C=CCC[C@H](NC(=O)N(C)CC1CCCC1)c1ccccc1 435096290 MEJDRLXGXHBBFC-SFHVURJKSA-N 300.446 4.526 30 20 DJED Cc1cc(CNCc2cc(Cl)sc2Cl)ccc1C#N 443994932 FRNJELAMTYBPNA-UHFFFAOYSA-N 311.237 4.525 30 20 DJED C=CCC1(CNC(=O)C2CCC(C(F)(F)F)CC2)CCCC1 456510134 RMWCAUGRFIWLLT-UHFFFAOYSA-N 317.395 4.608 30 20 DJED CN(Cc1ccccc1)c1ccccc1N[C@@H]1CCC[C@@H](C#N)C1 463294666 FHUNLCJYRILNJO-RTBURBONSA-N 319.452 4.817 30 20 DJED C=CC[C@H](CC)NC(=O)N(C)[C@H](c1ccc(F)cc1)C(C)C 466406804 YXKPXIQZSZVWGT-IRXDYDNUSA-N 306.425 4.519 30 20 DJED C=CCCCC(=O)N1CCC(c2c[nH]c3c(CC)cccc23)CC1 479569524 MJAUESLXIDVVBB-UHFFFAOYSA-N 324.468 4.793 30 20 DJED C=CCC(CC=C)C(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 485517101 GVZHVDQOLLJKLU-NJDAHSKKSA-N 323.480 4.940 30 20 DJED Cc1nc(Sc2ccc(C#N)cc2)c2c3c(sc2n1)CCC3 497648482 UAWOCWIFKUCJEP-UHFFFAOYSA-N 323.446 4.511 30 20 DJED CCSc1ccc([C@@H](C)Nc2cccc(F)c2C#N)cc1 505607637 HVCUMLWIXFOIOT-GFCCVEGCSA-N 300.402 4.982 30 20 DJED C=CCN(Cc1ccc(Cl)s1)Cc1sc(C)nc1C 506101380 QEIXALVNJXDPHN-UHFFFAOYSA-N 312.891 4.663 30 20 DJED N#Cc1c(F)cccc1SCc1csc(-c2ccoc2)n1 518061644 HQUWYABOBLFMHP-UHFFFAOYSA-N 316.382 4.706 30 20 DJED C[C@@H]1CCCC[C@@H]1CC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 531202931 SZDVXEFDIQUAGL-AFYVEPGGSA-N 324.468 4.501 30 20 DJED CC(C)(C)[C@@H](NCc1ccccc1C#N)c1ccc(F)cc1F 540424818 ZHIMMBURGLJPFO-SFHVURJKSA-N 314.379 4.713 30 20 DJED CC(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccccc2CC#N)cc1 549716670 OEHBACITRQZPOA-MOPGFXCFSA-N 318.420 4.618 30 20 DJED CC[C@H](C)[C@H](NCc1nc(C#N)cs1)c1ccc(Cl)cc1 554972036 UFDRYFWBYVYXRF-ZBEGNZNMSA-N 319.861 4.545 30 20 DJED CC(C)c1ccoc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 556555669 ZYCDKIPWJOTUTH-LBPRGKRZSA-N 316.426 4.647 30 20 DJED C=CCC[C@H](NC[C@@H]1CCCN(c2ccccc2)C1)c1ccco1 556876376 CTIKMGPTDRJTHB-ICSRJNTNSA-N 324.468 4.793 30 20 DJED C[C@H](c1ccc(C(C)(C)C)cc1)[S@@](=O)CCC(C)(C)C#N 558468715 SNOBHJMUBGPMDD-SZNDQCEHSA-N 305.487 4.734 30 20 DJED CN(C(=O)CCCCCC#N)[C@@H]1CCCC[C@H]1c1ccccc1 591311447 VABIPOFKPVJYEG-RBUKOAKNSA-N 312.457 4.645 30 20 DJED CCC(CC)CN(CCC#N)C(=O)Cc1cccc2ccccc12 609187141 JOBGMOPGMPELTN-UHFFFAOYSA-N 322.452 4.561 30 20 DJED CS[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)C1 609964223 XVILNQFAYLJNIV-VXGBXAGGSA-N 314.376 4.663 30 20 DJED N#Cc1cccc(NC(=O)c2ccccc2OC2CCCCC2)c1 610168589 PWGDVHKDYZZTFV-UHFFFAOYSA-N 320.392 4.522 30 20 DJED C=CC[C@H]1N(C(=O)N[C@H](C)c2ccsc2)CCCC1(C)C 670174246 PTDGDYBGSBPLBH-UKRRQHHQSA-N 306.475 4.585 30 20 DJED CCCCCCCC(=O)N1CCC[C@@H]1c1ccccc1OC 727806882 IUZOALWSOSPWOW-QGZVFWFLSA-N 303.446 4.719 30 20 DJED CCOc1cc(C#N)cc(Cl)c1OC(=O)C[C@@H](CC)C(C)C 729650132 OXDHHSIQIDNOFT-CYBMUJFWSA-N 323.820 4.588 30 20 DJED Cc1cccc(-c2n[nH]cc2/C=C2\Cc3ccc(C)cc3C2=O)c1 730948278 BCAVMIKPUIAASV-GZTJUZNOSA-N 314.388 4.516 30 20 DJED C=CC[C@H](NC(=O)C[C@@H](c1ccccc1)C(C)C)c1ccncc1 734459101 FKVUCQFPUYABMA-UXHICEINSA-N 322.452 4.645 30 20 DJED COc1cccc2cc(C(C)=NNc3c(F)cccc3F)oc12 735614880 FXEPKHNZNUOACG-UHFFFAOYSA-N 316.307 4.556 30 20 DJED CC(=NNc1ccc(Cl)nc1)C(C)(C)c1ccc(F)cc1 743450475 RCFNTCYAIIKOLE-UHFFFAOYSA-N 305.784 4.640 30 20 DJED COc1cccc2cc(CN[C@H](CCC#N)c3ccccc3)oc12 747929759 VMNAUTJQMCCDTE-GOSISDBHSA-N 320.392 4.576 30 20 DJED N#Cc1ccsc1C(=O)Oc1ccc2oc3ccccc3c2c1 748053460 PCUBIRLENMBOIS-UHFFFAOYSA-N 319.341 4.738 30 20 DJED CC(C)COc1ccc(C(=O)/C=C\c2ccc(C#N)s2)cc1 748997250 BZFCJTYNBBIKDY-KTKRTIGZSA-N 311.406 4.551 30 20 DJED C#CCOc1ccc([C@H](C)N[C@@H](C)c2cccc(OCC)c2)cc1 765455567 DKFXDFOSBNDATL-IRXDYDNUSA-N 323.436 4.509 30 20 DJED CN(Cc1ccccc1)c1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1 765922034 WUVMGMHCFZVOHP-AZUAARDMSA-N 319.452 4.817 30 20 DJED CC(C)(C#N)CCCCOC(=O)CCc1ccc(Cl)s1 768605356 FRVOURRCZSXSAJ-UHFFFAOYSA-N 313.850 4.597 30 20 DJED C#CCCCCN[C@H](CC)c1ccc(Cl)c(Cl)c1O 775525238 FHVAICCNZJGZDV-CYBMUJFWSA-N 300.229 4.543 30 20 DJED CCOc1cccc(/C=N/[C@H](CC(C)(C)C)C(F)(F)F)c1O 777873558 OLQPLGCHJVTTQQ-RNDVCUHJSA-N 317.351 4.577 30 20 DJED O=C(/C=C/c1cccc(C(F)(F)F)c1)c1ccnc(Cl)c1 779460575 RLJHAZQAUHXMPV-SNAWJCMRSA-N 311.690 4.650 30 20 DJED CCCCCCCCC(=O)N[C@H]1CCCc2cn(C(C)C)nc21 781060882 ZVSNTKQXARTHRI-KRWDZBQOSA-N 319.493 4.708 30 20 DJED CC(/C=C\C(=O)c1cscn1)=C/c1ccccc1OC(F)F 811694248 QVSAXMZKKQSJFD-NJMVCRMVSA-N 321.348 4.587 30 20 DJED CCOc1ccccc1/C=C1\CSc2ccc(F)cc2C1=O 916128621 RBVVUCACGHFALV-UKTHLTGXSA-N 314.381 4.596 30 20 DJED C=CCN(C(=O)Nc1ccc(OCc2ccccc2)cc1)C(C)C 916705089 OWROGCILWUEFKS-UHFFFAOYSA-N 324.424 4.694 30 20 DJED CC(C)(C)C1CCC(CC(=O)Nc2sccc2C#N)CC1 1124191056 ZEYDXFATCMQUPN-UHFFFAOYSA-N 304.459 4.801 30 20 DJED Cc1ccc([C@@H]2CCC[C@H]2OC(=O)c2cccc(CC#N)c2)cc1 1128223417 VTYOVLQLGCWIRF-VQTJNVASSA-N 319.404 4.554 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 1129983934 QHCDAFOEACYHRY-SNRMKQJTSA-N 324.468 4.684 30 20 DJED Cc1cc(C)c2nc(N(CCC#N)CC(C)(C)C)sc2c1 1162972795 OPFIGOUYRVGSGJ-UHFFFAOYSA-N 301.459 4.679 30 20 DJED CC1(C)CCC(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 1191156419 LBEARDAEKFBENS-PMACEKPBSA-N 310.485 4.975 30 20 DJED CCC(CC)CN(CCC#N)Cc1ccccc1C(F)(F)F 1191367565 PGHDVFBJNFHMOG-UHFFFAOYSA-N 312.379 4.857 30 20 DJED N#Cc1ccc(CN2CCC[C@H]2/C=C\c2ccccc2)c(Cl)c1 1198270356 KLXMKFOJOXKRQN-JQYPEGPJSA-N 322.839 4.889 30 20 DJED Cc1ccc([C@H]2C[C@H](C)CCN2Cc2ccc(C#N)c(C)c2)o1 1204346642 CCPFAPBGLBIOHX-AUUYWEPGSA-N 308.425 4.741 30 20 DJED Cc1cc(CN(C2CC2)[C@H]2CCc3ccccc32)ccc1C#N 1308580487 UIKTUVKZUCOZHU-NRFANRHFSA-N 302.421 4.519 30 20 DJED C=C[C@@H](Cc1nnc(C(C)(C)c2ccccc2)o1)c1ccccc1 1322515877 RSYCKYUELWSPGN-INIZCTEOSA-N 318.420 4.908 30 20 DJED N#Cc1ccccc1Sc1ccc(C(=O)OC2CCCC2)cc1 1351105252 ZZIWMEZCAWMMOX-UHFFFAOYSA-N 323.417 4.809 30 20 DJED C[C@@H]1CC[C@@H](OC(=O)c2ccccc2Oc2ccccc2C#N)C1 1435778206 OAJWNQUTJXUWLW-GDBMZVCRSA-N 321.376 4.696 30 20 DJED C[C@H]1C[C@H](C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[C@H]1C 1456951903 XWQXHVOELXIRTA-GRYCIOLGSA-N 324.346 4.588 30 20 DJED C[C@@H](Nc1ncc(C#N)cc1Cl)c1cc(Cl)ccc1F 1472749836 DUBQEUQTSHGYOY-MRVPVSSYSA-N 310.159 4.572 30 20 DJED C=C(CNC(=O)c1coc2ccc(Cl)cc12)c1ccccc1 1535095237 LSFPJWYSSQSJDQ-UHFFFAOYSA-N 311.768 4.529 30 20 DJED N#CCc1ccccc1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 1540382998 RVUKXGRZUWQODH-UHFFFAOYSA-N 324.383 4.576 30 20 DJED Cc1nc(C#N)cc(N[C@@H](CC2CCCCC2)c2ccccc2)n1 1559091314 KZMHMUFWMZEQCD-IBGZPJMESA-N 320.440 4.780 30 20 DJED CC1(C)CN(Cc2cc(Cl)ccc2OCC#N)CC(C)(C)C1 1559726076 JNNFBYXPJGJKQE-UHFFFAOYSA-N 320.864 4.500 30 20 DJED CC(C)(C)CN(Cc1ccccc1)Cc1ccc(C#N)cc1F 1560652580 DJUJRZKBMYJDLZ-UHFFFAOYSA-N 310.416 4.746 30 20 DJED N#CCOc1ccc(CSc2ccc(Cl)c(F)c2)cc1 1614641504 ZNWZDQRBFHSLFM-UHFFFAOYSA-N 307.777 4.674 30 20 DJED Cc1cc(C)c2cc(NC(=O)CC3(C#N)CCCCC3)ccc2n1 1616406362 DZIWQJIKWZJRMJ-UHFFFAOYSA-N 321.424 4.654 30 20 DJED C[C@@H](CC(=O)N(c1ccccc1C#N)C1CCC1)c1ccccc1 1617588593 MPLDXDWSLWUPDD-INIZCTEOSA-N 318.420 4.638 30 20 DJED CC(C)c1cccc(CN(Cc2ccc(C#N)cc2)C2CC2)c1 1653865724 WKSHBDSPPQVIGP-UHFFFAOYSA-N 304.437 4.846 30 20 DJED CC1(C)[C@H]2CC[C@@]1(C)[C@H](NCc1ccc(Cl)cc1C#N)C2 1654227153 GAEWETPXALKXDZ-LESCRADOSA-N 302.849 4.516 30 20 DJED C[C@H](NCc1cc(C#N)ccn1)c1ccc(Cl)c2ccccc12 1654246091 XDALVVSOXASCLK-ZDUSSCGKSA-N 321.811 4.611 30 20 DJED Cc1ccc([C@H]2[C@@H](C)CCCN2Cc2ccc(F)cc2C#N)cc1 1657395011 VBMVRZGXPRNFLB-HRAATJIYSA-N 322.427 4.979 30 20 DJED CCC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C#N)cc1Cl 1659884436 YNZOSLGCPVBEGE-HIFRSBDPSA-N 319.836 4.692 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1ccc(Cl)s1 1662601410 XDCOGCJIHMBKCV-UHFFFAOYSA-N 306.818 4.672 30 20 DJED N#Cc1c(F)cccc1CN1CCC[C@@H]1CCC1CCCC1 1663612332 IACQLJWXYPDSBN-QGZVFWFLSA-N 300.421 4.632 30 20 DJED Cc1c(NN=C2CC[C@@H](CCC(C)C)C2)cccc1C(=O)O 1776088235 ZFDFQVJLQCJBSL-CQSZACIVSA-N 302.418 4.697 30 20 DJED CC(C)(C)c1ccc(NC(=O)c2ccccc2SCC#N)cc1 29487778 PPXHFNWEBBUPIP-UHFFFAOYSA-N 324.449 4.852 30 20 DJED C=CCCC(=O)Nc1ccc(OCc2ccccc2Cl)cc1 110341187 BLNMJZOITBCCFF-UHFFFAOYSA-N 315.800 4.824 30 20 DJED Cc1cccc([C@@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)c1C 180543249 WVEZOFWVYXKXPV-DLBZAZTESA-N 308.425 4.618 30 20 DJED CC[C@@H](Nc1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 266764656 WNMOHWOOKQXLGJ-LLVKDONJSA-N 311.332 4.597 30 20 DJED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(-c3ccccc3)cc2)C1 303613313 BZNROMXYYDXQNR-IIBYNOLFSA-N 318.420 4.556 30 20 DJED C[C@@H]1C[C@H](C/C(O)=N/[C@@H]2CCC(O)=NC23CCC3)CC(C)(C)C1 328745220 OHHAKKUCXWBDPA-RBSFLKMASA-N 320.477 4.837 30 20 DJED Cc1ccc(Cl)c(N/C(O)=N/[C@@H]2CCO[C@@H](CC(C)C)C2)c1 330703089 PPAWZVWMKBRZRP-KGLIPLIRSA-N 324.852 4.568 30 20 DJED CCCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCC[C@@H]1C#N 334052566 ORSXMPKKYBRWFK-WBVHZDCISA-N 313.445 4.576 30 20 DJED C=CCCC1(C(=O)Nc2cccc(-c3csc(C)n3)c2)CC1 353683497 IFTWSZSLEBRJJT-UHFFFAOYSA-N 312.438 4.803 30 20 DJED CCc1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1C 354943420 RJFLUHJYOZKXRX-LJQANCHMSA-N 321.424 4.724 30 20 DJED C=CCC[C@H](NC(=O)N(C)Cc1cccs1)c1ccccc1 435096685 OFELOOROZQTZAY-KRWDZBQOSA-N 314.454 4.597 30 20 DJED C=CCOc1cccc(NC(=O)N(CCCCC)C(C)C)c1 437844701 VJCLWYSXQNOKJK-UHFFFAOYSA-N 304.434 4.684 30 20 DJED CC[C@H](C)c1ccc([C@@H](NC(=O)CCCC#N)C(C)C)cc1 462152306 SMXLOQHMDQXZBJ-KXBFYZLASA-N 300.446 4.707 30 20 DJED C=CCC(CC=C)C(=O)Nc1nn([C@H](C)c2ccccc2)cc1C 472837409 JWTCCTRULKRRJX-MRXNPFEDSA-N 323.440 4.508 30 20 DJED CC(C)c1nc(CSCc2ccc(C#N)c(F)c2)cs1 479519656 UVXAWJUTJFLLRP-UHFFFAOYSA-N 306.431 4.711 30 20 DJED C=CCOCCCSCc1nc(-c2ccsc2)oc1C 479593783 UBQIDBJMPOOPLY-UHFFFAOYSA-N 309.456 4.537 30 20 DJED C=CCCCC(=O)N(Cc1ccc(C)o1)c1ccc(F)cc1 480877973 MAUIAYCFRUVZCE-UHFFFAOYSA-N 301.361 4.617 30 20 DJED C=CCSc1ccccc1C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 485465668 NEWJEIGQHOYEBW-BZUAXINKSA-N 315.482 4.663 30 20 DJED C=CC[C@@H](C(=O)N(C)c1cccc(SC)c1)c1ccccc1 488339575 NYYILILJOSSRHV-GOSISDBHSA-N 311.450 4.731 30 20 DJED CC(C)(C)[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)CS1 488440734 QQVCGYGADRJGQV-BBWFWOEESA-N 302.487 4.541 30 20 DJED C=C(C)CSCc1csc(-c2ccc(OC)cc2OC)n1 497850634 BZPDGXKLMJATQA-UHFFFAOYSA-N 321.467 4.637 30 20 DJED CC(C)Sc1ccc([C@@H](C)NC(=O)c2ccc(C#N)cc2)cc1 504722966 XSFTUFAFBGWNKU-CQSZACIVSA-N 324.449 4.550 30 20 DJED CC(C)(C)CN(Cc1ccccc1)C(=O)C1(C#N)CCCCC1 504868251 AQMJFVVMCQDXAB-UHFFFAOYSA-N 312.457 4.535 30 20 DJED Cc1cc(Oc2ccc(C#N)c3ccccc23)nc(C(C)C)n1 515045794 BLFIEAALTYDKOI-UHFFFAOYSA-N 303.365 4.726 30 20 DJED Cc1coc(C)c1C(=O)Nc1sc(-c2ccccc2)cc1C#N 517198212 RTVZZEJGTCMBNO-UHFFFAOYSA-N 322.389 4.749 30 20 DJED N#Cc1cccc(CNc2ccc(COc3ccccc3)cc2)c1 537992796 BQLKHUFBHXHLJX-UHFFFAOYSA-N 314.388 4.749 30 20 DJED C=CC[C@H](C)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C 540170699 TVKMRKGXZZVOBD-NWDGAFQWSA-N 304.434 4.873 30 20 DJED N#CCc1ccc(CN(Cc2ccco2)c2ccccc2)cc1 544070646 DVPASMUVIDDWRY-UHFFFAOYSA-N 302.377 4.552 30 20 DJED C=CCC(C)(C)C(=O)Nc1cccc(-c2ccccc2OC)c1 571886054 GMUJJGWMBKXPLQ-UHFFFAOYSA-N 309.409 4.903 30 20 DJED C=CCCO[C@H](C)c1nc([C@@H](c2ccc(C)cc2)C(C)C)no1 579884707 OKHWSQWHKNRJDO-NVXWUHKLSA-N 314.429 4.820 30 20 DJED CC1CCC(c2noc([C@@H]3C[C@H]3c3cccc(C#N)c3)n2)CC1 591453034 MJKSTOPZQIRZHR-MPCAOIJTSA-N 307.397 4.506 30 20 DJED N#Cc1cccc(CSCc2sccc2Br)c1 609237233 GWGPKKKEOMJHLM-UHFFFAOYSA-N 324.268 4.816 30 20 DJED CC(C)Oc1c(Cl)cccc1N[C@@H](C#N)Cc1ccccc1 609825292 PLKRWSUUMRXWHP-OAHLLOKOSA-N 314.816 4.674 30 20 DJED N#Cc1ccc(CNCc2ccccc2C(F)(F)F)cc1Cl 619749088 HHXRTPFZCXFBAA-UHFFFAOYSA-N 324.733 4.520 30 20 DJED O=C(/C=C\c1coc(-c2ccccc2)n1)c1cccc(Cl)c1 731835877 ULEXCEPFZNCNMT-KTKRTIGZSA-N 309.752 4.891 30 20 DJED COc1ccc(CCNN=C2CCC(c3ccccc3)CC2)cc1 737439975 QPBAOSDDQSKCNV-UHFFFAOYSA-N 322.452 4.541 30 20 DJED CC[C@@H](C)Oc1cc(/C=C/C(=O)c2ccsc2)ccc1OC 749452668 MWKJLTAECCUKGK-VUDGCMKMSA-N 316.422 4.830 30 20 DJED Cc1c(C(=O)/C=C/c2ccc3c(c2)ncn3C)oc2ccccc12 761201545 WCOGIGRJPDEULI-CSKARUKUSA-N 316.360 4.524 30 20 DJED FC(F)(F)CCON=C(Cc1ccccc1)Cc1ccccc1 777461080 UDQXQRRWMWDUNH-UHFFFAOYSA-N 321.342 4.797 30 20 DJED C[C@@H](ON=Cc1cccc(Cl)c1Cl)c1ccc(C#N)cc1 794713485 HFUBXDKINAPLGM-LLVKDONJSA-N 319.191 4.977 30 20 DJED c1ccc([C@@H]2CCCC2=NNc2cccc3ccccc23)nc1 794900381 ZYBOIYDNBIQXPS-KRWDZBQOSA-N 301.393 4.970 30 20 DJED c1cncc([C@H]2CCCC(=NNc3ccc4ccccc4n3)C2)c1 799864782 KLIHLZXKYXBZPU-INIZCTEOSA-N 316.408 4.756 30 20 DJED CC[C@H](Nc1nc(Cl)c(C#N)s1)c1ccc(Cl)cc1 804340251 NZWNNETVPITMKY-JTQLQIEISA-N 312.225 4.885 30 20 DJED N#CCCCCCC(=O)Nc1ccccc1SC(F)(F)F 807576620 TYLKDLQWVXUQSO-UHFFFAOYSA-N 316.348 4.711 30 20 DJED Cc1cccc2sc(C(=O)OC3(CC#N)CCC3)c(Cl)c12 810858884 PAMFGRSOOAYVBZ-UHFFFAOYSA-N 319.813 4.856 30 20 DJED Cc1cccc(Cl)c1C[S@@](=O)CCCCC1(C#N)CCC1 899410002 RIOBMTMSKYPHJQ-NRFANRHFSA-N 323.889 4.761 30 20 DJED C#CC[C@@H](N[C@@H](C)c1ccc(C(F)(F)F)cn1)c1ccccc1 902888008 OWIKYXFGFLCULU-SUMWQHHRSA-N 318.342 4.516 30 20 DJED CCCCCCCC(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 920106663 VYURPOGRQOUNCZ-INIZCTEOSA-N 324.424 4.728 30 20 DJED CCC/C(C)=C/C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 920323780 JRLLHAXAYOBMIB-VOMSXAGXSA-N 310.422 4.733 30 20 DJED N#CCCCCN[C@H](Cc1ccc(F)cc1Cl)c1ccoc1 924942299 NDTUVXAMUBGHEP-QGZVFWFLSA-N 320.795 4.639 30 20 DJED N#Cc1cccc(N(C(=O)c2sccc2C2CC2)C2CCC2)c1 1119487189 JCZQRJIMYBCEAJ-UHFFFAOYSA-N 322.433 4.696 30 20 DJED C[C@H](CC1CCCCC1)C(=O)Nc1ccc(Cl)c(C#N)c1 1124653238 OLRQTNFAEIEKLC-GFCCVEGCSA-N 304.821 4.757 30 20 DJED C=C(Cl)CN(Cc1cccc(C(F)(F)F)c1)CC(C)C 1174915522 LBPQHORRFTZXHK-UHFFFAOYSA-N 305.771 4.916 30 20 DJED N#C[C@H](CCc1ccccc1)S[C@@H]1CCc2ccccc2C1 1189702446 OJOJRFQYVKQUCB-UXHICEINSA-N 307.462 4.802 30 20 DJED CC(C)c1ccc2occ(C(=O)Nc3cccc(C#N)c3)c2c1 1264121576 QJMAMNTUCRHAMJ-UHFFFAOYSA-N 304.349 4.680 30 20 DJED N#Cc1ccccc1-c1ccc(CN2CC[C@H](C3CCC3)C2)cc1 1460240377 IWWJKJWETKVSQY-NRFANRHFSA-N 316.448 4.847 30 20 DJED N#CCc1ccc(CN2Cc3ccccc3-c3ccccc32)cc1 1473596034 TYZQNBUEKZQWCY-UHFFFAOYSA-N 310.400 4.940 30 20 DJED C[C@H](OC(=O)C1(C#N)CCCCC1)c1cc(Cl)ccc1F 1520526749 NBKANUUCCFHJSH-NSHDSACASA-N 309.768 4.557 30 20 DJED CCc1c(C)sc(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)c1C#N 1536889368 IUBFIMQAAUJDDD-ZIAGYGMSSA-N 316.470 4.646 30 20 DJED C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 1543968206 IIGIONMIODGGPD-ZIAGYGMSSA-N 314.429 4.500 30 20 DJED CC[C@H]1CCC[C@@H]1C(=O)Nc1scc(C(C)(C)C)c1C#N 1544839987 NXMHOGRMJZNDPJ-RYUDHWBXSA-N 304.459 4.682 30 20 DJED COc1ccc(C#N)cc1NCc1ccc(-c2ccccc2)cc1 1560498005 OHPYJEHMNNUPNY-UHFFFAOYSA-N 314.388 4.846 30 20 DJED CCc1nc(C#N)cc(N[C@@H]2CCCc3ccc(C(C)C)cc32)n1 1655344410 UNKDQUTWVFFAHN-GOSISDBHSA-N 320.440 4.524 30 20 DJED CCCc1c(N[C@@H](C)CC(C)(C)C#N)cnn1-c1ccc(C)cc1 1659450776 DQYYKZZRBQOWQV-INIZCTEOSA-N 324.472 4.874 30 20 DJED CSc1ccc(Cl)c(NCc2ccc(C#N)c(F)c2)c1 1659649399 MAVSSTMTZRHDGV-UHFFFAOYSA-N 306.793 4.685 30 20 DJED Cc1cc(C#N)cc(NC(=O)N[C@@H](CCC(C)C)C(C)(C)C)c1 1662642405 HAFXFEZDGYATQP-KRWDZBQOSA-N 315.461 4.839 30 20 DJED CCCc1ccc(C(=O)/C=C/c2ccc(/C=C\C(=O)O)cc2)cc1 1776112980 RSRQOMCQWSAOMH-AIWUCEOPSA-N 320.388 4.633 30 20 DJED O=C(O)c1cccc(C(=O)/C=C\c2cc(Cl)cc(Cl)c2)c1 1777684788 BZYKIKZHFRSSPO-PLNGDYQASA-N 321.159 4.588 30 20 DJED Cc1ccc(Br)cc1N[C@H](C)c1ccc(C#N)cc1 37091350 GFQNWOCZLPZFQO-GFCCVEGCSA-N 315.214 4.802 30 20 DJED C[C@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1Cl 58660631 FGFNAGMRWKEUGJ-NSHDSACASA-N 305.208 4.716 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)c2coc3ccccc23)n1 80460290 QFHFFAOXCXEMAN-LBPRGKRZSA-N 310.378 4.503 30 20 DJED CC(=O)Nc1cccc(CS[C@@H](C)c2ccc(C#N)cc2)c1 118444314 APMRCJVHJDWFOQ-ZDUSSCGKSA-N 310.422 4.511 30 20 DJED N#CCC[C@H](N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 128150533 WCEVBJFKEQVECO-JYJNAYRXSA-N 310.363 4.742 30 20 DJED C[C@@H]1CCCN(Cc2ccc(NCC(C)(C)CCC#N)cc2)C1 156099118 WSNZEXRRVMCPLB-QGZVFWFLSA-N 313.489 4.660 30 20 DJED C[C@@H](NCc1ccc(F)cc1C(F)(F)F)c1cccc(C#N)c1 181502756 AQCRCCVRGKYEDU-LLVKDONJSA-N 322.305 4.567 30 20 DJED N#CCCCCN[C@@H]1CCCc2cc(SC(F)F)ccc21 182812664 QECVDAVMLWPFGS-OAHLLOKOSA-N 310.413 4.662 30 20 DJED C#CC[C@H](NCc1ccc(CSC(F)F)o1)c1ccccc1 270259543 VRHFGIIBEOEFRL-INIZCTEOSA-N 321.392 4.590 30 20 DJED N#Cc1cccc(CC/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c1 329114697 SKNWBIIEQBXCHB-GBESFXJTSA-N 310.441 4.664 30 20 DJED Cc1ccc(-c2nc(N=C(O)C[C@H]3CCOC3)sc2C)s1 329730582 DECOGUZDVSHRSY-LLVKDONJSA-N 322.455 4.503 30 20 DJED C/C=C/c1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1 353278378 ZYPDGYCUIOSPPB-GBVBSETHSA-N 319.408 4.886 30 20 DJED C=CC[C@H](CC)NC(=O)CCCc1csc2ccccc12 410119813 KECLHXRNJJEMJC-HNNXBMFYSA-N 301.455 4.695 30 20 DJED N#Cc1c(F)ccc(-c2nc3cccc(Cl)c3[nH]2)c1Cl 430886511 ANDAUXBPUGJADF-UHFFFAOYSA-N 306.127 4.547 30 20 DJED CC[C@@H](F)CN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 440503251 JDFDJTMZSLYIJM-KCJUWKMLSA-N 317.248 4.647 30 20 DJED N#C[C@@H]1CC[C@H](N[C@@H](c2ccc(Cl)cc2)c2ccsc2)C1 442778786 BZOMIXAUMSPOGA-DQYPLSBCSA-N 316.857 4.773 30 20 DJED N#C[C@@H]1CC[C@H](NC2(c3c(Cl)cccc3Cl)CCC2)C1 442859613 KANIKLPCZJRSMO-NEPJUHHUSA-N 309.240 4.654 30 20 DJED CC[C@H](Nc1ccccc1OCCCOC)c1ccc(C#N)cc1 447597545 SPFKLTPNJWUNNF-SFHVURJKSA-N 324.424 4.537 30 20 DJED C[C@H](c1cccc(C#N)c1)c1nc(-c2coc3ccccc23)no1 463046962 DOLVEUGKEVYWRD-GFCCVEGCSA-N 315.332 4.506 30 20 DJED C=CCCCCNC(=O)N1CCC[C@H]1c1ccccc1Cl 472849278 NHZQCUSFTRATQA-INIZCTEOSA-N 306.837 4.543 30 20 DJED C=CCN1CCC(N[C@@H](C)c2ccc(-c3ccccc3)cc2)CC1 482623068 YFKAUARCHWISFV-SFHVURJKSA-N 320.480 4.655 30 20 DJED C=C[C@@H]1CCCCN1C(=O)c1oc2c(Cl)cccc2c1C 488838653 LQOCHKFFLZYSHZ-GFCCVEGCSA-N 303.789 4.575 30 20 DJED CCN(Cc1cccc2cc[nH]c12)[C@@H](C)c1ccc(C#N)cc1 508602836 GEPRIORSZYWION-HNNXBMFYSA-N 303.409 4.623 30 20 DJED CCN(Cc1ccccc1C#N)[C@@H](C)c1cc2ccccc2o1 513402452 XDAGFBAUPQXZDX-HNNXBMFYSA-N 304.393 4.888 30 20 DJED Cc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1 515690101 YVJRMFQNIHGNRN-UHFFFAOYSA-N 318.401 4.848 30 20 DJED C=C(C)[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(F)c(F)c1 521694915 ASBKZONFAMWYQY-VQTJNVASSA-N 324.374 4.731 30 20 DJED C=CCCC(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 522592634 HAIXMZAVVCPTHH-GOSISDBHSA-N 313.828 4.706 30 20 DJED C=C[C@H](CC(=O)N1CC[C@@H](c2cccc(F)c2)C1)c1ccccc1 550584563 YZGPDJFJJFLWIB-VQIMIIECSA-N 323.411 4.502 30 20 DJED C[C@H](C1CCCCC1)N(C)C(=O)Nc1ccc(C#N)cc1Cl 554867570 VECIBFDHEYHLSZ-GFCCVEGCSA-N 319.836 4.644 30 20 DJED N#CCCOc1ccc(-c2nc(-c3ccccc3)cs2)cc1 555562964 RQKNPYOTGNDHKW-UHFFFAOYSA-N 306.390 4.770 30 20 DJED C[C@@H](NC[C@]1(C)C[C@H]1c1ccccc1)c1ccc(C#N)c(F)c1 559881102 UKQNEAOFBVVUDV-WNYOCNMUSA-N 308.400 4.542 30 20 DJED CCSCc1cccc(N[C@H]2CCc3ccc(C#N)cc32)c1 566531992 HODHRWOXYCUYCA-IBGZPJMESA-N 308.450 4.911 30 20 DJED CC[C@H](C)n1ncc(NC2CCC(C)(C#N)CC2)c1C1CC1 568837617 KQBRPZHMRHEILL-UQHVZDHRSA-N 300.450 4.616 30 20 DJED CCCCN(C(=O)c1cccc(CC#N)c1)[C@H]1CCC[C@@H](C)C1 578930797 LZDVZBSGLNSVQH-APWZRJJASA-N 312.457 4.574 30 20 DJED CCC(CC)[C@@H]1C[C@H](N[C@@H](CC)c2ccc(C#N)cc2)CCO1 583243390 UAQDELWMRCMJEH-AABGKKOBSA-N 314.473 4.583 30 20 DJED N#CC1(CC(=O)Nc2cccc(Cl)c2Cl)CCCCC1 598796838 ACDHPZFWUAKXAO-UHFFFAOYSA-N 311.212 4.796 30 20 DJED C=CCCC(=O)Nc1cccc(Cl)c1SCC(F)F 605639231 FWJUAUBIGIGAMS-UHFFFAOYSA-N 305.777 4.602 30 20 DJED CCC[C@H]1CCCC[C@H]1NCc1cccc(OCCCC#N)c1 609122316 BYNHIRJVQKTDDX-AZUAARDMSA-N 314.473 4.818 30 20 DJED CC[C@@H](NCc1ccc(C#N)c(Cl)c1)c1cc(F)ccc1F 619755284 VUQJPOPVGZODFZ-QGZVFWFLSA-N 320.770 4.731 30 20 DJED C=CCCC(=O)N1CCC[C@]1(C)c1ccc(C(F)(F)F)cc1 636340686 IEZCGKKGOCDHBY-MRXNPFEDSA-N 311.347 4.509 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)C=C1CCCCC1 730988877 DIFFNKLXWHMAAO-AWEZNQCLSA-N 314.454 4.767 30 20 DJED COc1cccc(/C=C/C(=O)c2ccc(SC(F)F)cc2)c1 734982046 WANBOGPHKJEAKB-BJMVGYQFSA-N 320.360 4.906 30 20 DJED C=CCOCCCC(=O)O[C@@H](C)c1ccc(Cl)c(Cl)c1 744070519 OCOLERRDDXTTNV-NSHDSACASA-N 317.212 4.580 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)C[C@@H]2CCc3ccccc32)n1 747194129 UDWRLUKGOGAOEP-HOCLYGCPSA-N 324.449 4.563 30 20 DJED CC(C)COc1ccc(C(=O)/C=C/c2ccc(C#N)s2)cc1 748997251 BZFCJTYNBBIKDY-MDZDMXLPSA-N 311.406 4.551 30 20 DJED CC(=C/c1ccccc1)/C=C/C(=O)c1cc([N+](=O)[O-])ccc1F 752875124 OKVGVEOYWOCCON-LFZMHEMLSA-N 311.312 4.576 30 20 DJED FC(F)(F)c1ccccc1ON=Cc1ccccc1C1CC1 754709688 NFOCIBLFLVZWIT-UHFFFAOYSA-N 305.299 4.996 30 20 DJED CC[C@@H](C)c1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1 755301106 CMJMXKWIXVOWCN-OAHLLOKOSA-N 300.446 4.602 30 20 DJED CCSc1ccc(C(=O)/C=C/c2ccc3c(c2)ncn3C)cc1 761204491 COLGYGHYQVLXGV-VZUCSPMQSA-N 322.433 4.581 30 20 DJED COc1ccsc1/C=C\C(=O)c1ccc(SC)c(F)c1 764433152 CVWDXEYTBTYQAL-XQRVVYSFSA-N 308.399 4.514 30 20 DJED CC(C)[C@@H]1C[C@H](NCc2cc(C#N)ccc2F)c2ccccc21 774253438 PCWVSKHWSZDZEV-ICSRJNTNSA-N 308.400 4.672 30 20 DJED CC(C)Sc1cccc(Cl)c1C=NOCc1cccnc1 786035968 IWPRYWMRHREJET-UHFFFAOYSA-N 320.845 4.786 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)CCCc1ccsc1 791862781 ASBLLZALOFNFGM-UHFFFAOYSA-N 313.466 4.676 30 20 DJED CCCCCCCCC(=O)NCc1coc(-c2cccs2)n1 885099512 OMBYPESBDORRAS-UHFFFAOYSA-N 320.458 4.770 30 20 DJED CC(C)(C)c1nc(CNc2ccccc2SCCC#N)co1 901382832 FILCGAQKSDHETO-UHFFFAOYSA-N 315.442 4.590 30 20 DJED N#C[C@H](c1ccccc1)c1ccc(N=Cc2ccccc2O)cc1 915113543 YFHVTOQQTBSKLD-HXUWFJFHSA-N 312.372 4.798 30 20 DJED CCCCn1nc(C)c(/C=C\C(=O)c2ccc(C)cc2)c1Cl 916134252 AREPWYPLVVCHAZ-KHPPLWFESA-N 316.832 4.850 30 20 DJED C=CCc1ccccc1OC(=O)c1nc(-c2ccccc2)oc1C 916859210 PXZDUGSKUISPJA-UHFFFAOYSA-N 319.360 4.598 30 20 DJED COc1ccc(O)c(C=Nc2cc(Cl)ccc2SC)c1 920756247 ZXGIJQBDNRZCDM-UHFFFAOYSA-N 307.802 4.527 30 20 DJED C[C@@H]1c2c(sc(NC(=O)[C@@H](C)C(C)(C)C)c2C#N)CC[C@H]1C 1129474255 KWFPBJHIMJOMMR-GRYCIOLGSA-N 318.486 4.926 30 20 DJED CN(Cc1ccc(F)cc1C#N)Cc1cccc(Cl)c1Cl 1141166431 NJYUZFVQCSRKCY-UHFFFAOYSA-N 323.198 4.636 30 20 DJED N#Cc1cccc(Nc2cccc(-c3nc4ccccc4o3)c2)n1 1164333494 YGJHZVOTERYAGT-UHFFFAOYSA-N 312.332 4.505 30 20 DJED CN(Cc1ccc(Oc2cccc(F)c2)cc1)CC(C)(C)C#N 1205960512 SBUICPZBGUWYMC-UHFFFAOYSA-N 312.388 4.600 30 20 DJED N#Cc1nc(NC2CCC(c3ccccc3)CC2)sc1Cl 1306930442 XKAKMIZIZDSTRT-UHFFFAOYSA-N 317.845 4.806 30 20 DJED COc1ccc2c(c1)C(=O)/C(=C\c1cccc3ccccc13)CO2 1317757358 UAEPNRYBJZHANL-WJDWOHSUSA-N 316.356 4.507 30 20 DJED N#Cc1ccnc(/C=C/c2ccc(-c3cccc(F)c3F)o2)c1 1323087061 KCOZFLJHEHXBME-SNAWJCMRSA-N 308.287 4.662 30 20 DJED CC[C@@H](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C 1354313570 FPSGMAWWORXLQI-ZDUSSCGKSA-N 318.486 4.899 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)c2sccc2-c2ccccc2)C1 1436649633 QCBQVLLUFFTSHK-HIFRSBDPSA-N 311.406 4.654 30 20 DJED Cc1cc(C)c(/C=C\CN[C@H](C)c2cccc(C#N)c2)c(C)c1 1461752818 JMEBBUGMHSNAGU-OTIVFRFGSA-N 304.437 4.848 30 20 DJED Cc1ccc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2C)cc1 1522475475 FMYWZTWONQJNKF-FQEVSTJZSA-N 318.420 4.543 30 20 DJED Cc1cocc1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1529906458 CWTCBUPHXRPEGT-UHFFFAOYSA-N 318.332 4.504 30 20 DJED Cc1ccc([C@H]2CCCCN2Cc2ccc(C#N)cc2C)cc1 1559560872 UNHZKROSRAJEHH-OAQYLSRUSA-N 304.437 4.902 30 20 DJED Cc1cc(C#N)cc(NC(=O)[C@H](CC(C)C)c2ccccc2)c1 1584930130 KHCOXCYUQPUAPF-LJQANCHMSA-N 306.409 4.635 30 20 DJED Cc1cc(F)ccc1N(CCC1CC1)Cc1ccc(C#N)cc1 1616020222 PTFBGWPJLYFOOY-UHFFFAOYSA-N 308.400 4.813 30 20 DJED N#Cc1nnc2ccccc2c1NC1CCC2(CCCCC2)CC1 1642571389 KWDIREIUYPNKHH-UHFFFAOYSA-N 320.440 4.806 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1CC[C@](C)(CCc2ccccc2)C1 1644758915 HCDOSTLSCIMBCI-AVRDEDQJSA-N 318.464 4.964 30 20 DJED Cc1cc(CN[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)ccc1C#N 1651227844 NOWMPJAJNCZQJD-FXAWDEMLSA-N 324.855 4.946 30 20 DJED CC(=NNc1ccc(C)c(Cl)c1)[C@@H]1C[C@H](CC(=O)O)C1(C)C 1776034943 OZTBUIBYCRUZHZ-OCCSQVGLSA-N 322.836 4.573 30 20 DJED Cc1nc(-c2ccc([C@H](C)Nc3ncccc3C#N)cc2)cs1 27546124 NMRDLGTVHMIILU-LBPRGKRZSA-N 320.421 4.558 30 20 DJED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C)o3)n2)cc1 46706784 MDNLMSRPPVGOGM-AWEZNQCLSA-N 322.389 4.510 30 20 DJED CC(C)CCC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 79853453 XXQNMUZBGYZNMJ-LLVKDONJSA-N 306.818 4.562 30 20 DJED CCCC[C@H](CC)COc1cc(Br)ccc1C#N 123472427 AAMXEGWSHDMKDN-LBPRGKRZSA-N 310.235 4.916 30 20 DJED CC(C)(C#N)CCCOc1ccc(NC(=O)OC(C)(C)C)cc1 135507244 RJHPKJSOVXPGFE-UHFFFAOYSA-N 318.417 4.742 30 20 DJED CCCCOc1ccc(/C=C2\Cc3ccccc3C2=O)cc1OC 149284241 XDMUCTPPZREVSJ-SFQUDFHCSA-N 322.404 4.697 30 20 DJED C[C@H]1CCCCN1Cc1ccc(NCC(C)(C)CCC#N)cc1 156083341 SQUBDSVGVMQQFE-KRWDZBQOSA-N 313.489 4.803 30 20 DJED CCC(C)(C)CNC(=O)Nc1ccccc1S[C@@H](C)CC#N 191893488 MUSGPFZGOCRSOT-ZDUSSCGKSA-N 319.474 4.639 30 20 DJED C=CCC[C@H](N[C@H]1CCOc2ccc(F)cc21)c1ccco1 287526773 OTMOBRJAXXNDCI-HOTGVXAUSA-N 301.361 4.539 30 20 DJED N#Cc1ccc(NCc2coc(-c3cccs3)n2)cc1Cl 301114353 WVDLPSBRXSYGQF-UHFFFAOYSA-N 315.785 4.540 30 20 DJED N#Cc1ccc(C(F)(F)F)c(N2CCC[C@@H]2c2cccs2)c1 302233594 GCLQCFLLMHRXTR-CYBMUJFWSA-N 322.355 4.980 30 20 DJED CC[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(Cl)cc1 315393474 LJIUVFFTUQBQRB-AWEZNQCLSA-N 315.760 4.683 30 20 DJED COc1cc(N=C(O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)ccc1O 328618007 USHOSQQCXUJRJD-MGPQQGTHSA-N 303.402 4.595 30 20 DJED Cc1nc(C2CC2)oc1/C(O)=N/CC1(c2ccccc2)CCCC1 329819422 GNHCJSWBNYNXRB-UHFFFAOYSA-N 324.424 4.677 30 20 DJED N#C[C@@H]1CCC[C@@H]1/N=C(/O)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 330099858 HNISUDPZXVXELJ-MFPFFRNPSA-N 322.452 4.684 30 20 DJED C=CCC[C@H](NCc1c[nH]nc1C)c1ccc(C(F)(F)F)cc1 345014733 GRCPVTJIXHEZSV-INIZCTEOSA-N 323.362 4.534 30 20 DJED C=C[C@H]1CCCCN1C(=O)c1cc2c(ccc3ccccc32)[nH]1 428036480 IARWDBFDSFIHJC-HNNXBMFYSA-N 304.393 4.502 30 20 DJED Cc1ccc(C)c2[nH]c(-c3cccc(OCCCC#N)c3)nc12 430935964 SFZQJGGRSUXEHH-UHFFFAOYSA-N 305.381 4.529 30 20 DJED CC(C)c1cccc(NC(=O)[C@H](C#N)CCc2ccccc2)c1 433122767 WSSHIDSYYGWTRK-SFHVURJKSA-N 306.409 4.521 30 20 DJED C=CCN(CC=C)C(=O)c1cc(-c2ccc(F)cc2)c(C)s1 445511256 IKBYLJQUEMNNDS-UHFFFAOYSA-N 315.413 4.677 30 20 DJED CC[C@H](Nc1ccc(F)cc1C#N)c1ccccc1OC(F)F 462928997 PMAVYUQLQHLFBQ-AWEZNQCLSA-N 320.314 4.862 30 20 DJED CCCNc1ccccc1NC(=O)C[C@@H](CC#N)c1ccccc1 476648974 OUYZELKYXQJLFD-QGZVFWFLSA-N 321.424 4.535 30 20 DJED C=CC[C@@H](C(=O)N(C)C[C@H](C)c1ccccc1)c1ccccc1 488359607 BEEKRSLIQTWHGP-FXAWDEMLSA-N 307.437 4.608 30 20 DJED C[C@@H](C(=O)N[C@H](C#N)C1CCCCC1)c1ccc2ccccc2c1 506538508 NKSJJQVQNLNKPE-FOIQADDNSA-N 320.436 4.532 30 20 DJED N#Cc1cccc(SCC(=O)c2cccc(C(F)(F)F)c2)c1 531833980 OTUQZUWJQGOPGM-UHFFFAOYSA-N 321.323 4.552 30 20 DJED N#Cc1ccc(CNc2ccc(COc3ccccc3)cc2)cc1 543711329 ZCDIAXRXJHOZKY-UHFFFAOYSA-N 314.388 4.749 30 20 DJED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1F 552969323 MTOOFFHXIMHTNA-BUXKBTBVSA-N 312.363 4.565 30 20 DJED C=CCCc1ccccc1NC(=O)c1ccccc1OC1CC1 554750543 NQIVPJMZNNQDDH-UHFFFAOYSA-N 307.393 4.599 30 20 DJED N#CCC[C@H](Nc1ncc(Cl)cc1Cl)c1ccccc1 557643164 GXSVAYAQTOJSPJ-AWEZNQCLSA-N 306.196 4.845 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1ccc(-c2ccccc2)c(C)n1 582754282 OGRKRJCZDHLDNW-KRWDZBQOSA-N 321.424 4.629 30 20 DJED COC[C@H](Nc1ccc(C#N)c(Cl)c1)c1cccc(Cl)c1 583956785 WAYLPCYHJTXULO-INIZCTEOSA-N 321.207 4.665 30 20 DJED C=C(C)CN(CC)C(=O)c1sc2cc(C)ccc2c1Cl 591007294 BHRPBZRDLUMYSE-UHFFFAOYSA-N 307.846 4.901 30 20 DJED C=CCCCCCN(C)C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F 606816583 BYZIWDFJZXBOJO-KGLIPLIRSA-N 305.384 4.560 30 20 DJED Cc1ccc2c(Cl)c(C(=O)N[C@@](C)(C#N)C(C)C)sc2c1 609169484 ZBPCJGDVHYLHCD-INIZCTEOSA-N 320.845 4.531 30 20 DJED C=CCN(C(=O)c1oc2ccc(OC)cc2c1C)c1ccccc1 641896879 KVOLOPUUVHZNGX-UHFFFAOYSA-N 321.376 4.583 30 20 DJED C=CCC[C@@H](N[C@H](C)c1ccc2nc(O)oc2c1)c1ccccc1 671753742 IKFIPDBWSASOSU-RHSMWYFYSA-N 322.408 4.892 30 20 DJED N#Cc1ccc(/C=C2\Cc3c(ccc(Cl)c3Cl)C2=O)cc1 729149840 HWKZJULRSXTDCP-KPKJPENVSA-N 314.171 4.687 30 20 DJED CCC/C(C)=C/C(=O)Nc1ccccc1S[C@H](C)CC#N 731333170 XLWJIQFNYVBYKZ-XTZCOPOCSA-N 302.443 4.766 30 20 DJED CCc1c(C)sc(NC(=O)C[C@H]2CCc3ccccc32)c1C#N 734393794 XFNSFUIYKYUSJF-CQSZACIVSA-N 324.449 4.549 30 20 DJED N#Cc1ccc(-c2cccc(C/N=C/c3ccccc3O)c2)s1 739427742 XQVRLRSAOPJHBH-FYJGNVAPSA-N 318.401 4.611 30 20 DJED CC/C(=C\C(=O)N[C@H](C)c1cccc(C#N)c1)c1ccc(C)cc1 743775269 KKORHRSXAIONBA-APVMCDBPSA-N 318.420 4.538 30 20 DJED C=CCCC(=O)O[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1 751698377 BTOYAAILCVLWSR-NSHDSACASA-N 305.761 4.565 30 20 DJED Oc1ccccc1C=Nc1ccc(Sc2ccncc2)cc1 771835672 BRAUZBVSZRXOIF-UHFFFAOYSA-N 306.390 4.689 30 20 DJED C=C(C)[C@@H](NCc1cc(C)c(C)cc1O)c1ccc(F)c(F)c1 775318827 KROLQHGIIJHQAC-LJQANCHMSA-N 317.379 4.694 30 20 DJED C=C(C)[C@@H](NCc1ccc(CF)cc1)c1ccc(F)c(F)c1 775723362 JSDCIVCJZFTSNL-GOSISDBHSA-N 305.343 4.841 30 20 DJED O=C1/C(=C/c2nccc3ccccc23)COc2ccc(Cl)cc21 783713820 AKAPRYIWBLMTMU-UKTHLTGXSA-N 321.763 4.547 30 20 DJED C[C@@H](OC(=O)c1coc(C2CCCCC2)n1)c1cccc(C#N)c1 786424862 NUUBACLLNXKWGK-CYBMUJFWSA-N 324.380 4.512 30 20 DJED CC(C)(C)c1cnc(/C=C/C(=O)c2ccccc2Cl)s1 790599484 ZLCCVWSUEPAMOH-CMDGGOBGSA-N 305.830 4.990 30 20 DJED C=CCC[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccco1 796838667 KRCFHSIJCZYNBM-HNNXBMFYSA-N 320.776 4.638 30 20 DJED CC(C)(C)c1cnc([C@H](C#N)C(=O)CCC2CCCCC2)s1 797567193 DONFNGLHDQRLSJ-CQSZACIVSA-N 318.486 4.977 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@@H]2CCCc3ccc(C)cc32)c1 813631249 WZKOLEGHYBNSBJ-LJQANCHMSA-N 304.393 4.559 30 20 DJED CCc1cnccc1C(=O)/C=C/C(C)=C\c1ccccc1COC 814189294 ACEIRTBQHHXQKM-ZDHWLGKOSA-N 321.420 4.633 30 20 DJED N#C[C@H](C(=O)/C(F)=C\C1CCCCC1)c1ccc2ccccc2n1 815900235 VNULGQGIYJSSPQ-WLSWZUKCSA-N 322.383 4.845 30 20 DJED C[C@H](Cc1ccc(C#N)cc1)c1nc(-c2ccccc2Cl)no1 904570486 OUECCXBEEBCVRJ-GFCCVEGCSA-N 323.783 4.608 30 20 DJED C[C@H](OC(=O)c1ccccc1CC#N)c1ccc2ccccc2c1 919034356 JBPPPABVGCSCJD-HNNXBMFYSA-N 315.372 4.824 30 20 DJED CC(C)c1ccc([C@@H](N[C@@H]2CC[C@H](C#N)C2)c2cccnc2)cc1 926614127 HIUHXDHCDLDZKH-ZLGUVYLKSA-N 319.452 4.576 30 20 DJED CC[C@H](OC(=O)[C@]1(C#N)CC12CCCC2)c1cccc(Cl)c1 1127816957 MDBCGNIPNVYOFH-MAUKXSAKSA-N 317.816 4.808 30 20 DJED C[C@@H](Cc1cccc(C(F)(F)F)c1)Nc1cccc(CC#N)c1 1181828937 XDMKKVPXMITZFF-ZDUSSCGKSA-N 318.342 4.815 30 20 DJED N#Cc1cc(F)cc(N[C@@H]2CC=C(c3ccc(F)cc3)CC2)c1 1183323820 GGHJHFTXVYCFNX-GOSISDBHSA-N 310.347 4.884 30 20 DJED CC[C@H](C)N(Cc1ccccc1)C(=O)CC1(C#N)CCCCC1 1264217846 ZMMFZTYBFMFEDR-KRWDZBQOSA-N 312.457 4.678 30 20 DJED C[C@H](OC(=O)CC1(C#N)CCCCC1)c1cc(Cl)ccc1F 1266782687 PBQXCSIRSYLMQD-LBPRGKRZSA-N 323.795 4.947 30 20 DJED C[C@@H](SCc1ccccc1)c1nnc(-c2cccc(C#N)c2)o1 1322996178 HSLDPXVWKMEIAM-CYBMUJFWSA-N 321.405 4.603 30 20 DJED CC(C)(C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1cccc2ccccc12 1460800112 YKWHVTUVMNFHDO-DOTOQJQBSA-N 321.420 4.743 30 20 DJED C=C(Cl)CNC1(c2cc(C(F)(F)F)ccc2Cl)CC1 1473448312 SQIKPYIKCZLNCX-UHFFFAOYSA-N 310.146 4.690 30 20 DJED C=C(CNC(=O)[C@@H](C)c1ccc(CC(C)C)cc1)c1ccccc1 1583133251 TWBXLVLTJGPNHX-SFHVURJKSA-N 321.464 4.818 30 20 DJED Cc1nc(NCCc2ccc(-c3ccccc3)cc2)ccc1C#N 1612102516 YODGOOFDNBDSNS-UHFFFAOYSA-N 313.404 4.583 30 20 DJED N#CC1(CCN2CCC(c3ccccc3F)CC2)CCCCC1 1644654270 UAZZGNIELXSTJT-UHFFFAOYSA-N 314.448 4.869 30 20 DJED CCN(Cc1ccccc1C(C)(C)C#N)c1ccccc1OC 1644897458 NNGQKRJDISDUJO-UHFFFAOYSA-N 308.425 4.523 30 20 DJED C[C@@H](CNc1nc(C(C)(C)C)ccc1C#N)Cc1cccs1 1650803511 KJMRIAVHHWMEHN-CYBMUJFWSA-N 313.470 4.603 30 20 DJED Cc1cc(Oc2nc(C(F)(F)F)cs2)c(C)c(C)c1C#N 1651048279 SGDHIUVJMRTAJR-UHFFFAOYSA-N 312.316 4.751 30 20 DJED Cc1ccc(C#N)c(NC[C@H]2CCCC[C@@H]2c2ccccc2)n1 1651852136 QJOLHBLXXTZKBR-RTBURBONSA-N 305.425 4.648 30 20 DJED COc1ccc(Cl)c(CSc2cccc(F)c2C#N)c1 1652011262 XGQLUMJTPZBFLS-UHFFFAOYSA-N 307.777 4.652 30 20 DJED COc1ccc(C#N)cc1N[C@H]1CCC[C@@H](C(C)(C)C)CC1 1652158735 KZDCHVRYEKNIDN-CVEARBPZSA-N 300.446 4.974 30 20 DJED CN(Cc1cc2ccccc2o1)Cc1ccc(Cl)cc1C#N 1652666199 WXXMJDSURFGLBH-UHFFFAOYSA-N 310.784 4.590 30 20 DJED CCOc1ccccc1CSc1ccc(C#N)cc1Cl 1652724034 SEXZIJYYRKSVEN-UHFFFAOYSA-N 303.814 4.903 30 20 DJED C[C@H]1CCCc2ccccc2[C@@H]1Nc1ncc(C#N)cc1Cl 1655353737 CRLLHAOUDZJCPZ-YVEFUNNKSA-N 311.816 4.732 30 20 DJED CC(=O)c1ccc(Oc2nc(C)c(C#N)cc2Cl)cc1Cl 1655879013 RCJRQMIFHUBVTK-UHFFFAOYSA-N 321.163 4.563 30 20 DJED CC(C)(C)CN(CCC#N)CCn1ccc2cc(Cl)ccc21 1657377802 KORZDSYHAKFCCO-UHFFFAOYSA-N 317.864 4.556 30 20 DJED N#Cc1ccc(NC(=O)N2CCC[C@H]2CCC2CCCC2)cc1 1666343109 OYYCJQKEIRBKCX-SFHVURJKSA-N 311.429 4.525 30 20 DJED CCCC1CCC(N(C)C(=O)Nc2ccc(F)c(C#N)c2)CC1 1674180343 JDRRSJNQRXYLJU-UHFFFAOYSA-N 317.408 4.520 30 20 DJED CC[C@@H]1CCCC[C@@H]1C=NNc1ccc(Cl)c(C(=O)O)c1 1776034002 FMWXJIOAYSKRDZ-VXGBXAGGSA-N 308.809 4.652 30 20 DJED CC[C@@H]1CCCCCC1=NNc1ccc(Cl)c(C(=O)O)c1 1776034345 BLFREFLOFPZAPL-LLVKDONJSA-N 308.809 4.796 30 20 DJED N#Cc1ccc(CNc2cccc(C#Cc3cccs3)c2)cc1 44759105 YKCUSKYXHOMNPG-UHFFFAOYSA-N 314.413 4.632 30 20 DJED O=C(/C=C\c1ccc(F)cc1)c1ccc(Br)s1 49537150 IYGPXROOLTXOKC-UTCJRWHESA-N 311.175 4.546 30 20 DJED C=CCOc1cccc(NC(=O)c2cccc(Cl)c2Cl)c1 55722477 ZFMMJMGUWOZHCM-UHFFFAOYSA-N 322.191 4.811 30 20 DJED C=CCOc1cccc(NC(=O)N2CCC[C@@H]2c2ccccc2)c1 56772334 WNWRJSIDXUSVDR-LJQANCHMSA-N 322.408 4.620 30 20 DJED C=CCCCCCN(C)C(=O)c1ccccc1Oc1cccnc1 156844654 IGOZRGDSPOZIPV-UHFFFAOYSA-N 324.424 4.692 30 20 DJED C[C@@H](Nc1ccc(OCC2CC2)cc1)c1ccc(OCC#N)cc1 181901410 BYJCBOMYPYTKFA-OAHLLOKOSA-N 322.408 4.551 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1ccccc1CCC 192951674 DJQKRPZRDQQYPM-UHFFFAOYSA-N 314.454 4.921 30 20 DJED C=CCC[C@H](NCc1cc(C(CC)CC)no1)c1ccco1 286310179 XCDRWBADQPLJBU-INIZCTEOSA-N 302.418 4.968 30 20 DJED C=CC(C)(C)C(=O)Nc1ccccc1COCc1ccccc1 298269053 GVTFFVZTWRQCDD-UHFFFAOYSA-N 309.409 4.554 30 20 DJED Cc1ccsc1[C@H](Cc1ccccc1)Nc1ccc(C#N)cn1 301343781 RVKBCWDIGVUSAN-KRWDZBQOSA-N 319.433 4.719 30 20 DJED C=CCC[C@H](Nc1nccc(C(F)(F)F)n1)c1ccccc1 301781647 NGAVBHPNUHFFKH-ZDUSSCGKSA-N 307.319 4.615 30 20 DJED C[C@@H]1CCC[C@H](C(O)=Nc2csc(-c3ccccn3)n2)C1 329532266 JVTSQKPAOMLULA-NEPJUHHUSA-N 301.415 4.619 30 20 DJED CC[C@H](NCC(C)(C)CCC#N)c1ccccc1Br 348218234 RHSIADAXBGJVNR-HNNXBMFYSA-N 323.278 4.820 30 20 DJED N#CC1(CC[S@](=O)Cc2sccc2Cl)CCCCC1 417193519 OTTCHOIJSYQFIT-IBGZPJMESA-N 315.891 4.514 30 20 DJED N#Cc1cccc(CSc2nc(-c3ccccc3)co2)c1F 436236556 AFEHKNKYYCMEKZ-UHFFFAOYSA-N 310.353 4.645 30 20 DJED N#Cc1ccc(OCc2csc(-c3ccco3)n2)cc1Cl 438902337 MYBZTSPFFQXENS-UHFFFAOYSA-N 316.769 4.507 30 20 DJED C[C@H](c1cc(F)ccc1F)N(C)Cc1ccc(C#N)cc1Cl 439437651 ZTNRELDHSFDUTI-LLVKDONJSA-N 320.770 4.683 30 20 DJED CC[C@@H](F)CN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 440503255 JDFDJTMZSLYIJM-LDYMZIIASA-N 317.248 4.647 30 20 DJED C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1cccc(C2CC2)c1 453247729 OQCGRTBNVDWHJO-SZNDQCEHSA-N 302.421 4.774 30 20 DJED C=CCN(C(=O)c1cc(-c2ccccc2)ns1)c1ccccc1 462124064 SREZEVNAIXNGEM-UHFFFAOYSA-N 320.417 4.643 30 20 DJED N#Cc1ccc(NC(=O)c2cscc2-c2ccccc2)cc1 463070350 ZQNZRHLMWHIIEP-UHFFFAOYSA-N 304.374 4.539 30 20 DJED N#Cc1ccc(SCc2c(F)cccc2[N+](=O)[O-])c(Cl)c1 465387055 FGNXFHMQOJZRFP-UHFFFAOYSA-N 322.748 4.551 30 20 DJED CCCCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@@H](C)CC 475771412 UHYZNWZWMVOCRG-FUHWJXTLSA-N 300.446 4.501 30 20 DJED C=CCOc1ccccc1CNCc1cc2c(C)cc(C)cc2[nH]1 479395834 UOAQJPWZPRHUPQ-UHFFFAOYSA-N 320.436 4.639 30 20 DJED CN(C(=O)CCCC1CCCC1)c1cc(Cl)ccc1C#N 479574307 DAMLVPUJJXRNRC-UHFFFAOYSA-N 304.821 4.535 30 20 DJED C=CCC[C@@H](NCc1ccc(Br)o1)c1ccccc1 480303569 CAIORFQHKYZBQW-OAHLLOKOSA-N 320.230 4.839 30 20 DJED N#Cc1cc(Cl)ccc1CN[C@@H](c1ccccc1)C1CCC1 480739931 UEOGLGUFSBKJEP-IBGZPJMESA-N 310.828 4.843 30 20 DJED CC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(Cl)s1 483708809 CKRYJOBUEDDRLL-CYBMUJFWSA-N 308.809 4.653 30 20 DJED C=CC[C@H](C(=O)Nc1nccc2sccc12)c1ccccc1 490240696 IJMZSTODXQARAU-AWEZNQCLSA-N 308.406 4.595 30 20 DJED CCc1cc(C#N)c(NC(=O)c2ccc(C(C)(C)C)cc2)s1 515710761 ASSABODEQWZMMR-UHFFFAOYSA-N 312.438 4.732 30 20 DJED C[C@@H](CNc1cccc(OCCCC#N)c1)c1ccc(F)cc1 527365830 CNVCWUDGWSVMII-HNNXBMFYSA-N 312.388 4.724 30 20 DJED COc1cccc(C=C2CCN(CC(C)(C)CCC#N)CC2)c1 537700496 CXKMJONSWPYPRM-UHFFFAOYSA-N 312.457 4.504 30 20 DJED N#Cc1ccc(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)s1 552216459 NWYALIJQIGNIOM-LJQANCHMSA-N 321.449 4.828 30 20 DJED Cc1ccc(-c2nc(CSCCC(C)(C)C#N)cs2)o1 566759975 DRCSMZSDSQGJKY-UHFFFAOYSA-N 306.456 4.885 30 20 DJED N#CCCCCCC(=O)N1CC2(CCCCC2)[C@@H]1c1ccccc1 590918975 VDKVXFWCBXOOCA-FQEVSTJZSA-N 324.468 4.994 30 20 DJED CCCCOc1ccc(/C=C\c2ccc(C#N)cn2)cc1OCC 603893954 KPMHENHNISUOCO-TWGQIWQCSA-N 322.408 4.701 30 20 DJED COc1cccc2c(S[C@H](C)c3ccc(C#N)cc3)ccnc12 614802031 NPJYPRYMWGVJRS-CYBMUJFWSA-N 320.417 4.968 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1C[C@H](c2ccccc2F)C1 619554148 QSGUKHACLCSSAX-FIKGOQFSSA-N 320.411 4.611 30 20 DJED C=CC1CCN(C(=O)/C=C(\C)c2ccc(C(F)(F)F)cc2)CC1 732002751 FERIHCSYMZZXLM-OUKQBFOZSA-N 323.358 4.533 30 20 DJED Cc1cccc2nc([C@H](C#N)C(=O)C[C@@H](C)CC(C)(C)C)[nH]c12 735793340 SOAIKHSZONDBDK-TZMCWYRMSA-N 311.429 4.510 30 20 DJED Cc1cc2cc(C(=O)/C=C\c3cc(C#N)cs3)oc2cc1C 749132301 LUYIXNJAWAKIPM-ARJAWSKDSA-N 307.374 4.879 30 20 DJED CC(=NNc1ccccn1)[C@H](C)Oc1ccc(Cl)cc1Cl 749857053 AZTCKEYGMGKNMB-NSHDSACASA-N 324.211 4.644 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1cc(Cl)ccc1F 753717782 PPWMLXYNAKEWSI-VMPITWQZSA-N 320.795 4.769 30 20 DJED C[C@@H]1CC/C(=C/C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)C1 753801447 JOKLEKNLUWIPOM-RYIXIWMISA-N 322.433 4.733 30 20 DJED N#Cc1ccccc1Oc1ccc(NC(=O)C=C2CCC2)cc1F 755357774 ICTQMEAGFUVFEM-UHFFFAOYSA-N 322.339 4.538 30 20 DJED COc1cccc2c1C/C(=C\c1ccc(C(F)(F)F)s1)C2=O 761481808 XTJGPNDXLYUQHU-VQHVLOKHSA-N 324.323 4.598 30 20 DJED CSc1ccc(C(=O)/C=C/c2scnc2C2CC2)cc1F 782343499 WFJDRWAVHKXSRR-FNORWQNLSA-N 319.426 4.778 30 20 DJED C=CCCN(C)C(=S)Nc1c(Cl)ccc(C)c1Cl 786084582 XUGBHUMMIGZNQI-UHFFFAOYSA-N 303.258 4.507 30 20 DJED O=C(/C=C\c1c(Cl)oc2ccccc12)c1ccnc(F)c1 794722915 ZAOBUFWDOAFYTH-WAYWQWQTSA-N 301.704 4.516 30 20 DJED Cc1cc(C(=O)/C=C\c2cnc(-c3ccccc3)s2)oc1C 799896560 IYIPFKYDJUJROY-HJWRWDBZSA-N 309.390 4.916 30 20 DJED Cc1cc(Cl)cc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)c1O 808700300 KLGAXUKSFUAYSN-QWHCGFSZSA-N 314.816 4.638 30 20 DJED CSc1ccc(C=NOc2ccccc2C(F)(F)F)s1 814887771 MQOAUNXIOYJJEK-UHFFFAOYSA-N 317.357 4.902 30 20 DJED N#CCOc1ccc(Cl)cc1CSCC1CC(F)(F)C1 842175386 ROZZAGJFROJIBR-UHFFFAOYSA-N 317.788 4.521 30 20 DJED Cc1cc(/C=C\C(=O)c2c(C)[nH]c3ccccc23)cc(C)c1O 915115035 TZECIHXCONWQMF-HJWRWDBZSA-N 305.377 4.695 30 20 DJED C=C(Cl)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 916620014 KYDZEEFJVCXRKE-NTEUORMPSA-N 322.788 4.724 30 20 DJED COc1ccccc1-c1ccc(/C=C\c2cc(C#N)ccn2)cc1 1117390785 AHFXSWLMHQPXIR-FLIBITNWSA-N 312.372 4.799 30 20 DJED CCC(C)(C)c1ccc(COC(=O)c2sccc2C#N)cc1 1127469306 NIDYPLRJJUAREZ-UHFFFAOYSA-N 313.422 4.664 30 20 DJED C[C@@H]1C[C@H](OC(=O)c2ccc(Cl)c(C#N)c2)CC(C)(C)C1 1131785864 UWDQLBCFKMBGOE-RISCZKNCSA-N 305.805 4.583 30 20 DJED Cc1nsc(Sc2ccc3c4c(cccc24)CC3)c1C#N 1163968978 ZNNSSRXJFMMCPU-UHFFFAOYSA-N 308.431 4.726 30 20 DJED N#CC1(CC(=O)N[C@H](c2ccccc2)C2CCCC2)CCCCC1 1181381916 XBTNFDISFSNALJ-HXUWFJFHSA-N 324.468 4.898 30 20 DJED CCCC[C@H](CC)CCCN(C)C(=O)c1cccc(C#N)c1 1279985668 YLDCFKJFNQMMKE-INIZCTEOSA-N 300.446 4.627 30 20 DJED C=CCCCCCN(C)C(=O)c1ccc2cc(OC)ccc2c1 1318768179 BZBTWGNIXXJMRZ-UHFFFAOYSA-N 311.425 4.667 30 20 DJED Cc1ccc2cc([C@H](C)Nc3ccc(OCC#N)cc3)oc2c1 1320729302 KVZZTOUPDZFGLJ-AWEZNQCLSA-N 306.365 4.817 30 20 DJED N#Cc1cccc(CSCc2ccc3ncccc3c2)c1F 1321270521 ZJHWTWMFYDMUHV-UHFFFAOYSA-N 308.381 4.679 30 20 DJED CC(C)CC1(C(=O)Nc2cc(C#N)c3ccccc3n2)CCCC1 1436179681 OSOLKPVAHYFAHZ-UHFFFAOYSA-N 321.424 4.651 30 20 DJED CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C#N)s1 1437643600 VCELGIDOEQCLDH-UHFFFAOYSA-N 318.829 4.823 30 20 DJED N#Cc1ncccc1S[C@H](c1ccccc1)c1ccc(F)cc1 1459074266 LEASMWAVBDKFGB-LJQANCHMSA-N 320.392 4.974 30 20 DJED CC(C)(C)C1CCC(CC(=O)N2CCCC(C)(C)[C@H]2C#N)CC1 1459840352 JWAITWYWQUFGQU-OFLPRAFFSA-N 318.505 4.770 30 20 DJED CC(C)CN(C(=O)CC(C)(C)C#N)[C@H](C)c1ccccc1Cl 1460013714 INTKUQVIEUQIHL-CQSZACIVSA-N 320.864 4.825 30 20 DJED Cc1cc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1Cl 1461880604 KGSBTYFWZKZPDI-AZUAARDMSA-N 324.855 4.920 30 20 DJED Cc1c(F)ccc2c1N(Cc1ccccc1C(C)(C)C#N)CCC2 1559918061 ZZYAKYRZZWFXOG-UHFFFAOYSA-N 322.427 4.888 30 20 DJED C[C@@H](CC#N)N(C)C/C=C\c1ccc(OCc2ccccc2)cc1 1560657224 GHLJIJWBEOUUFQ-KKMIYCERSA-N 320.436 4.513 30 20 DJED N#Cc1csc(C(=O)NCc2ccc(C3CCCCC3)cc2)c1 1588156875 RRTYAJUEXJNTOQ-UHFFFAOYSA-N 324.449 4.597 30 20 DJED CN(Cc1ccc(Cl)c(Cl)c1)c1cccc(F)c1C#N 1611710042 GMTJJYWDEWRVHK-UHFFFAOYSA-N 309.171 4.641 30 20 DJED CC(C)c1ccc2c(c1)CCCN2CCc1ccc(C#N)cc1 1615954775 XKEFQWIOGZJWRR-UHFFFAOYSA-N 304.437 4.677 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C[C@@H](C)c1ccc(F)cc1 1621124463 SOYIAZHOBWDPNF-MRXNPFEDSA-N 310.416 4.711 30 20 DJED CC(C)(C)OCc1ccccc1NCc1cccc(F)c1C#N 1621530167 WVIXQPIMMPCCGG-UHFFFAOYSA-N 312.388 4.625 30 20 DJED CC[C@@H](C)c1ccc(C(=O)N[C@H](C)c2cccc(C#N)c2)cc1 1625935247 QRGVWVAWJHYKFE-HUUCEWRRSA-N 306.409 4.563 30 20 DJED N#Cc1cc(NC[C@H]2CCSC2)ccc1Oc1ccccc1 1662610267 NFFKBUQPUSKWQZ-CQSZACIVSA-N 310.422 4.516 30 20 DJED O=C(O)c1ccccc1NN=Cc1cc(-c2ccccc2)cs1 1776030063 RLILCSMIXIACCW-UHFFFAOYSA-N 322.389 4.559 30 20 DJED C[C@H]1C(=Nn2c3ccccc3c3ccccc32)CC[C@@H]1CC(=O)O 1776112648 FHFCNPPJMVPRJG-ZIAGYGMSSA-N 320.392 4.519 30 20 DJED Cc1nnc(SCc2ccc(-c3ccccc3C#N)cc2)s1 22415752 YESPFXYJANBYBB-UHFFFAOYSA-N 323.446 4.678 30 20 DJED O=C(/C=C\c1ccc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])cc1 33410885 WYMLAYZNAKHRHK-BENRWUELSA-N 319.316 4.751 30 20 DJED CC(C)(NCc1ccccc1C#N)c1cccc(C(F)(F)F)c1 57846922 CZSFQRASVVNPOK-UHFFFAOYSA-N 318.342 4.602 30 20 DJED N#CCN(C(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 78382494 BGCGEEPALJZKDK-UHFFFAOYSA-N 312.372 4.524 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1=CCCCC1 128063324 UZOVXRHGBDXBCF-ZDUSSCGKSA-N 300.427 4.520 30 20 DJED N#CCC[C@H](NC(=O)c1ccc2ccccc2c1)c1ccccc1 153667802 BTZYIASHDSUEFT-FQEVSTJZSA-N 314.388 4.615 30 20 DJED CC(C)(C#N)CCN1CCc2sccc2[C@@H]1c1cccs1 157467052 XZSGGPKEMGTETQ-MRXNPFEDSA-N 316.495 4.697 30 20 DJED C[C@H](SCc1ccc(C#N)cc1F)c1nc2ccccc2o1 183456904 GELSVZARTKCUHN-NSHDSACASA-N 312.369 4.833 30 20 DJED COc1cc(C#N)ccc1CS[C@@H](C)c1nc2ccccc2o1 183457732 BHMWPOWTLOJBKF-LBPRGKRZSA-N 324.405 4.702 30 20 DJED C[C@H](SCc1nc(-c2ccccc2)no1)c1cccc(C#N)c1 190783394 QUQFNWAWUOGGQZ-ZDUSSCGKSA-N 321.405 4.603 30 20 DJED O=C(/C=C\c1cncs1)c1cccc(OCc2ccccc2)c1 255885612 FTNOVQTWEMZDHB-KTKRTIGZSA-N 321.401 4.618 30 20 DJED N#Cc1cc(Cl)ccc1NCc1coc(-c2cccs2)n1 301177561 GRUMSTIUWHCQNY-UHFFFAOYSA-N 315.785 4.540 30 20 DJED CC(C)(C)c1cnc(Sc2snc(Cl)c2C#N)s1 301953935 KBDRQPUCJSKOAK-UHFFFAOYSA-N 315.876 4.573 30 20 DJED Cc1ccccc1C1CC(N[C@H](CCC#N)c2ccccc2)C1 341358797 SAUROKBUNWKZED-GZNCHQMQSA-N 304.437 4.876 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCCc2sccc21 344135225 PNZDBLLQOFFDEM-QZTJIDSGSA-N 308.450 4.664 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(Sc2ccncc2)cc1 435378146 CFNPYLGGZUUJAZ-UHFFFAOYSA-N 324.449 4.940 30 20 DJED CC(C)CCO[C@@H]1CCCC[C@H]1NCCCCC(C)(C)C#N 436263238 MWSAWQDVLLDVIM-QZTJIDSGSA-N 308.510 4.670 30 20 DJED C=CCN(C(=O)[C@H](C)CCc1cccc(F)c1)c1ccccc1 443809844 LPASXFHVGYFGGI-MRXNPFEDSA-N 311.400 4.614 30 20 DJED Cc1coc(-c2ccc(C)c(NCc3ccc(C#N)c(C)c3)c2)n1 444001818 YQKBEGMVYISGNG-UHFFFAOYSA-N 317.392 4.751 30 20 DJED COc1ccc(C[C@@H](C)CN(C)CCCCC(C)(C)C#N)cc1 444677199 OZJZDYDPBGAWHP-QGZVFWFLSA-N 316.489 4.526 30 20 DJED CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(CC#N)cc1Cl 452655951 SUMCCPDTJHRESC-UONOGXRCSA-N 304.821 4.561 30 20 DJED CC(C)(CCC#N)CN1CCC(c2cccc(Cl)c2)CC1 475578218 NGZRTFXHUHSWTC-UHFFFAOYSA-N 304.865 4.849 30 20 DJED N#Cc1cc(Cl)ccc1CNc1cccc(CC(F)(F)F)c1 478360773 NRMWVJOFFWGHKH-UHFFFAOYSA-N 324.733 4.929 30 20 DJED C=CCCO[C@@H](C)C(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C 495427461 OCOGCBFKXGEYQB-LPHOPBHVSA-N 317.473 4.605 30 20 DJED CC[C@@H](C)c1ccc(OCCCC2(C#N)CCOCC2)cc1 499905891 DYQXFFMHSWLJMP-MRXNPFEDSA-N 301.430 4.679 30 20 DJED CCN(Cc1ccccc1Br)CC(C)(C)CCC#N 507120122 KBBXPIQHDCGTPJ-UHFFFAOYSA-N 323.278 4.601 30 20 DJED C=C(C)CCc1noc(CSCc2ccc(Cl)cc2)n1 508644174 BCQBCUPUWUGZTB-UHFFFAOYSA-N 308.834 4.665 30 20 DJED N#Cc1c(F)cccc1SCc1cc(-c2ccccc2)on1 517274082 PIPWEJQISVRJDB-UHFFFAOYSA-N 310.353 4.645 30 20 DJED C=C(C)[C@H](CC(=O)Nc1cc(Cl)c(C)cc1Cl)OCC 535205396 HFGANYFONUMSDW-AWEZNQCLSA-N 316.228 4.612 30 20 DJED N#CCc1ccc(CSc2ncc(-c3ccc(F)cc3)[nH]2)cc1 542213684 OWPIRFJYEWBALU-UHFFFAOYSA-N 323.396 4.574 30 20 DJED C=CCC(C)(C)c1noc(-c2ccc(Oc3cccnc3)cc2)n1 551491871 IDOAOGGHRJLKOM-UHFFFAOYSA-N 321.380 4.778 30 20 DJED C=CCC(C)(C)c1noc(-c2cc3ccc(F)cc3nc2C)n1 556361963 JYABAAPAIAEDIE-UHFFFAOYSA-N 311.360 4.586 30 20 DJED CC(C)[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 571129178 GQLLBSPCNVNGAR-UXHICEINSA-N 308.400 4.672 30 20 DJED N#CCCCCCC(=O)N(Cc1cccc(F)c1)C1CCCC1 588858673 YNWZJUNBSVGLBM-UHFFFAOYSA-N 316.420 4.571 30 20 DJED C=C(C)COc1cccc(NC(=O)N(CC(C)C)CC(C)C)c1 589738897 CRHMBOGEDKTJFD-UHFFFAOYSA-N 318.461 4.787 30 20 DJED C=CCN(Cc1ccccc1)C(=O)[C@@H](C)c1ccc(CC)cc1 589899070 PTQROMXKPSYAAC-KRWDZBQOSA-N 307.437 4.567 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCc1cc(C2CC2)no1 594706406 XSPGULRKTAOXOP-LBPRGKRZSA-N 313.426 4.558 30 20 DJED C=CC1CCN(C(=O)c2sc3cc(F)ccc3c2Cl)CC1 599680869 TYFLKXPWXCEGFX-UHFFFAOYSA-N 323.820 4.732 30 20 DJED N#Cc1ccc(SCc2cccc3ccccc23)c([N+](=O)[O-])c1 604502090 RRXLJUJMFZLVAH-UHFFFAOYSA-N 320.373 4.912 30 20 DJED N#Cc1c(CN2CCCCC[C@H]2c2ccco2)cn2ccccc12 609916134 DBWLGDAMFXCVKY-IBGZPJMESA-N 319.408 4.521 30 20 DJED CC(C)c1ccc(C(C)(C)NCc2cccc(C#N)c2F)cc1 611372616 CKAKCWKPXSTPDK-UHFFFAOYSA-N 310.416 4.846 30 20 DJED COc1cccc(/C=C/C(=O)c2sccc2C)c1OC(F)F 733749569 OSPPYUIISLBZTO-VOTSOKGWSA-N 324.348 4.563 30 20 DJED Clc1ccc([C@@H]2CCCC2=NNc2cncc(Cl)n2)cc1 741460882 UFILYYQGMZMEOS-LBPRGKRZSA-N 321.211 4.519 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc(OCC(F)F)cc2)cc1 741841476 AJCQKUWMEKXTIO-WDZFZDKYSA-N 302.320 4.535 30 20 DJED N#Cc1ccc2c(c1)CC/C(=C/c1csc3ccccc13)C2=O 742437774 RBOBOJJVXKELKG-GDNBJRDFSA-N 315.397 4.985 30 20 DJED CC(C)(C)Sc1ccc(NC(=O)c2cc(C#N)cs2)cc1 752303576 BLEREHXYXLGVJU-UHFFFAOYSA-N 316.451 4.763 30 20 DJED C[C@H](CC=NNc1ccc(Cl)c(C(=O)O)c1)c1ccccc1 755467039 MGWQTMHLDFBBKR-GFCCVEGCSA-N 316.788 4.630 30 20 DJED C#CC[C@H](NCc1cc(Cl)cc2cccnc12)c1ccccc1 756997257 KVBJSAROMRXSKL-IBGZPJMESA-N 320.823 4.742 30 20 DJED N#CC1(OC(=O)c2ccc(CSc3ccccc3)cc2)CCC1 762091892 UAHFBBIXVLFFIO-UHFFFAOYSA-N 323.417 4.582 30 20 DJED C=CCCCC(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 763015593 ROKLSMQSMQVYEZ-HXUWFJFHSA-N 323.436 4.648 30 20 DJED CC[C@@H](c1ccccc1)N(CC)Cc1ccc(O[C@H](C)C#N)cc1 768514911 MFGJVVUFOKTOBG-UTKZUKDTSA-N 322.452 4.951 30 20 DJED COc1ccc(CN[C@@H](CC2CCC2)c2ccccc2)cc1C#N 776171473 SPXGRPPYQOJHFB-FQEVSTJZSA-N 320.436 4.588 30 20 DJED CCC(=NNc1ccc(C(C)(C)C)cc1)c1c(C)nn(C)c1C 779824451 AZEWQQJDCOGBAU-UHFFFAOYSA-N 312.461 4.561 30 20 DJED CC(/C=C\C(=O)c1ccc(F)cc1)=C\c1cccc([N+](=O)[O-])c1 787168051 HYYSVAAJWNSLNI-VWNNBSQZSA-N 311.312 4.576 30 20 DJED O=C(/C=C/c1cnc(-c2ccco2)s1)c1cccc(Cl)c1 788100211 VYMOJPQHYVUJRJ-VOTSOKGWSA-N 315.781 4.953 30 20 DJED N#Cc1ccccc1OCCSCc1ccc(Cl)s1 918747432 BVMBGRGQFTVZPW-UHFFFAOYSA-N 309.843 4.585 30 20 DJED C=CCOc1cccc(NC(=O)/C=C\c2ccc(Cl)s2)c1 919873554 XDTYDJDGLFMXJQ-CLFYSBASSA-N 319.813 4.618 30 20 DJED Cc1nc(C)c([C@@H](C)N(C)CCCCC2(C#N)CCC2)s1 929601546 NPLOCQVJGOPOFS-CQSZACIVSA-N 305.491 4.617 30 20 DJED CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 1126054072 SKDNGTUTXAEQCT-LSDHHAIUSA-N 322.408 4.971 30 20 DJED Cc1cc(C#N)cc(NC(=O)CCc2ccc3ccccc3c2)c1 1129684316 BZWVTIVJBKAWTQ-UHFFFAOYSA-N 314.388 4.591 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2ccc(-c3ccccc3)s2)c1 1129686414 VVFKJPPCLGLAIM-UHFFFAOYSA-N 318.401 4.848 30 20 DJED N#Cc1cc(Sc2ccc(Cl)c(C(F)(F)F)c2)ccn1 1184525458 SZQKGQMLJRFYOF-UHFFFAOYSA-N 314.719 4.777 30 20 DJED C[C@@H](OC(=O)c1ccccc1C(C)(C)C)c1ccc(C#N)cc1 1265620704 RJGKDPDRPPJNNU-CQSZACIVSA-N 307.393 4.774 30 20 DJED C=Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 1348100229 MCFZJMMALAHJSW-GFCCVEGCSA-N 322.433 4.640 30 20 DJED Cc1ccc(C(=O)N[C@H](c2cccc(F)c2)C(C)(C)C)cc1C#N 1357815999 HYFCQFFFWSQHOH-GOSISDBHSA-N 324.399 4.523 30 20 DJED Cc1ccc(Oc2cccc(Nc3nccnc3C#N)c2)c(C)c1 1472857573 CVUOLROXXBLHTK-UHFFFAOYSA-N 316.364 4.501 30 20 DJED Cc1ccc([C@@H]2C[C@H](C)N([C@H](C)c3ccc(C#N)cc3)C2)cc1 1473431817 HJSKSSJAFRWMNT-CSODHUTKSA-N 304.437 4.806 30 20 DJED CCCC[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)C(C)C 1521554919 RDPQBCOUTVDGON-GFCCVEGCSA-N 304.459 4.509 30 20 DJED C[C@@H](OC(=O)[C@H]1CCC[C@H]1c1ccccc1)c1cccc(C#N)c1 1534857461 QMWFVTJRMHCJKY-XPGWFJOJSA-N 319.404 4.746 30 20 DJED CC(C)(CCCc1ccccc1)C(=O)Nc1cc(F)cc(C#N)c1 1535371903 QXIGIGHCKUCCPP-UHFFFAOYSA-N 324.399 4.685 30 20 DJED C=C(Br)CN(C)c1ccc(-c2ccccc2)cc1 1559573906 OMZIVIHCZVPUNV-UHFFFAOYSA-N 302.215 4.698 30 20 DJED CC(C)[C@@H](CC1CCCCC1)C(=O)Nc1cc(F)cc(C#N)c1 1588159324 MGVLHUAKSFCTQE-GOSISDBHSA-N 316.420 4.878 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1csc(C(F)(F)F)c1 1621404881 ZURYLRCUNFYAFO-LLVKDONJSA-N 324.371 4.832 30 20 DJED N#Cc1c(F)cccc1S[C@H](C(=O)C1CC1)c1ccccc1 1643958989 LNAFYVFOBHUSTD-SFHVURJKSA-N 311.381 4.510 30 20 DJED Cc1cc(C#N)ccc1CN1CCc2ccccc2[C@H]1C(C)C 1644778645 HWWXTAAHIRRXAH-OAQYLSRUSA-N 304.437 4.622 30 20 DJED CC(C)(C)CN(CCC#N)CCc1cc(Cl)cc(Cl)c1 1652546840 PAEAOAOUEFVOLR-UHFFFAOYSA-N 313.272 4.798 30 20 DJED Cc1cccc(NC2CCC(C)(C#N)CC2)c1Br 1659560917 QEPVKKAPZBAWEM-UHFFFAOYSA-N 307.235 4.642 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1cccs1 78967297 ROEWEVGAYUAFKG-UHFFFAOYSA-N 324.430 4.529 30 20 DJED CCC(CC)CC(=O)Nc1ccccc1S[C@H](C)CC#N 129303243 NQQLQWMXUIPSTC-CYBMUJFWSA-N 304.459 4.846 30 20 DJED CCCCCCCC(=O)Nc1c(C)noc1-c1ccccc1 183369748 FHQJEOMEMKMUPI-UHFFFAOYSA-N 300.402 4.949 30 20 DJED C[C@@H](Oc1ccc(C#N)c(Cl)c1)c1ncc(C(C)(C)C)o1 190276685 XYAPEVNYIWYVPP-SNVBAGLBSA-N 304.777 4.637 30 20 DJED Cc1cc(/C=C/C(=O)c2ccncc2)c(C)n1C1CCCCC1 216470614 OYCPTHLOIIOAKN-CMDGGOBGSA-N 308.425 4.901 30 20 DJED N#Cc1c(Cl)nsc1N1CCC[C@@H]1c1cccc(Cl)c1 301538237 NGMNNKVXINVYRC-GFCCVEGCSA-N 324.236 4.663 30 20 DJED C=CCOc1ccccc1CN[C@H](CC)c1ccc(OC)cc1 319738128 HRJMPPWQVAQFNQ-LJQANCHMSA-N 311.425 4.501 30 20 DJED OC1=NCc2c(N=C(O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)cccc21 329299109 URNVMAUYOQSQGG-MELADBBJSA-N 312.413 4.699 30 20 DJED C=CCC[C@H](NC(=O)[C@@H]1Cc2ccccc2S1)c1ccccc1 435280360 SKYTWXBNLRLMFH-HKUYNNGSSA-N 323.461 4.527 30 20 DJED N#Cc1ccc(SCc2nc(C3CCCCC3)cs2)nc1 435789241 ILDOZXRDPAEWQE-UHFFFAOYSA-N 315.467 4.750 30 20 DJED Cc1ccc([C@@H]2OCCC[C@H]2CNc2ccc(C#N)cc2F)cc1 463065373 WHFVHLBBURGJOY-PXNSSMCTSA-N 324.399 4.586 30 20 DJED CC#CCCCC(=O)N(c1cccc(C(F)(F)F)c1)C(C)C 466440698 IQPQWBNEUJDKOM-UHFFFAOYSA-N 311.347 4.640 30 20 DJED N#Cc1ccc(Cl)cc1OCc1csc(-c2ccco2)n1 474418891 WZNUGBIJOSMNCD-UHFFFAOYSA-N 316.769 4.507 30 20 DJED C=CCCCC(=O)N1CCC(C)(c2cccc(Cl)c2)CC1 478461522 ZWMQJIOMINXHJG-UHFFFAOYSA-N 305.849 4.576 30 20 DJED COc1cc(Cl)c(Cl)cc1NCC(C)(C)CCC#N 483438690 BTCZUDQVXUGPTM-UHFFFAOYSA-N 301.217 4.744 30 20 DJED CC(C)Oc1cccc(/C=C\c2nc3ccccc3n2CC#N)c1 486080192 UUWVZSVJJMMOFH-KHPPLWFESA-N 317.392 4.517 30 20 DJED CC(C)c1c(NCc2cc(C#N)cs2)cnn1-c1ccccc1 486684055 QXMNTDIFPYESLV-UHFFFAOYSA-N 322.437 4.541 30 20 DJED C=CC[C@H](C(=O)Nc1cccc2ncccc12)c1ccccc1 487638146 QMMJULIPFXAODO-INIZCTEOSA-N 302.377 4.533 30 20 DJED C=CC[C@H](C(=O)N[C@H](C)c1c(F)cccc1F)c1ccccc1 487709282 OCIGXFYOGYPPEJ-HIFRSBDPSA-N 315.363 4.502 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc(CSC)cc1)c1ccccc1 488375769 CSNSNFJVBHMWQR-GOSISDBHSA-N 311.450 4.848 30 20 DJED C=CCC[C@@H](C(=O)NCc1cc2ccccc2[nH]1)c1ccccc1 490291694 XNKLYQHOBGGXGZ-LJQANCHMSA-N 318.420 4.534 30 20 DJED CC(C)[C@H](NCc1ccc(C#N)cc1Cl)c1ccc(F)cc1 502561168 BLABVGJIWLNGEC-SFHVURJKSA-N 316.807 4.838 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC(=O)C[C@@H]1CCC[C@@H](C)C1 504056510 KCUFNBBLYBLPOO-HUUCEWRRSA-N 314.429 4.500 30 20 DJED CCOC1CC(CNc2ccc(Oc3ccccc3)c(C#N)c2)C1 506271419 HHWKGSMCEZIILT-UHFFFAOYSA-N 322.408 4.578 30 20 DJED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)c(Cl)c1 509474985 FCAAMOVPUDRFMO-BJWYYQGGSA-N 323.827 4.522 30 20 DJED CC(C)CN(C(=O)[C@@H](C)CC1CCCC1)c1ccc(C#N)cc1 510328897 HUUAZMPXORLEGX-INIZCTEOSA-N 312.457 4.764 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)c1ccc(F)cc1 512507008 SWQNXNVVDJUMNB-INIZCTEOSA-N 315.436 4.742 30 20 DJED C=CCCN1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 531868063 QDTYKVXUKNXQNT-UHFFFAOYSA-N 314.256 4.551 30 20 DJED Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(CC#N)cc1 536186656 HJNJBRZGGXGCNU-HXUWFJFHSA-N 320.436 4.578 30 20 DJED C[C@H](N[C@@H]1CCC[C@H]1c1ccccc1)c1ccc(C#N)c(F)c1 538507855 HZNZZUSZJCGECV-ADLFWFRXSA-N 308.400 4.684 30 20 DJED C=CCCC[C@H](C)N[C@@H](C)c1ccc(OC(F)F)c(OC)c1 540608036 WKWOXWPTYQINAF-STQMWFEESA-N 313.388 4.692 30 20 DJED CCC(C)(C)OCc1ccccc1NCc1ccccc1C#N 542727931 LMGOEOKLTWGNTD-UHFFFAOYSA-N 308.425 4.876 30 20 DJED CC(C)Oc1ccc2ccccc2c1CN1CCC(CC#N)CC1 542881373 FDMDHOBFDHRWPN-UHFFFAOYSA-N 322.452 4.753 30 20 DJED Cc1cc(CN[C@H](C)c2ccc(C#N)c(F)c2)ccc1Cl 544602699 AVHSDMZXASAUEU-GFCCVEGCSA-N 302.780 4.510 30 20 DJED CC[C@H](CC(F)(F)F)NCc1cc(C(F)(F)F)ccc1F 546178518 GCRLEWHKIZHULU-SNVBAGLBSA-N 317.248 4.665 30 20 DJED C=CCC(C)(C)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl 551290214 BRGANJAFVYQTNV-JTQLQIEISA-N 300.229 4.773 30 20 DJED CCC[C@@H](C)CC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 574007275 CTCBXUHSZGUPAY-CQSZACIVSA-N 323.396 4.510 30 20 DJED CC(C)(Cc1ccccc1)c1noc(CC2(C#N)CCCCC2)n1 596595085 XTIPPPQLSJPMKX-UHFFFAOYSA-N 323.440 4.606 30 20 DJED C=CCCCSc1nnc(-c2ccc(N(CC)CC)cc2)o1 605076738 YDUNPVNCBNQULP-UHFFFAOYSA-N 317.458 4.641 30 20 DJED CCc1cc(C#N)c(NC(=O)C[C@@H](C)c2ccccc2C)s1 609693725 DWVIHIJLXZWQIK-CYBMUJFWSA-N 312.438 4.623 30 20 DJED C=CCCc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 614479767 OSUFCYKTCWDOSD-RBUKOAKNSA-N 321.420 4.556 30 20 DJED C[C@H](CC(F)(F)F)N[C@H](C)c1ccc(F)cc1C(F)(F)F 623961888 RAKOAOLKJIEIQN-HTQZYQBOSA-N 317.248 4.836 30 20 DJED C=CCC[C@H](NCCc1c[nH]c2ccc(OC)cc12)c1ccco1 671747327 IRMCPIRDDPQFJG-IBGZPJMESA-N 324.424 4.609 30 20 DJED CN(C)c1ccc(/C=C\C(=O)c2cc3ccccc3o2)cc1F 727653684 WNWAFCPOJMCMBI-NTMALXAHSA-N 309.340 4.534 30 20 DJED CC/C=C(/C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 729888590 LOAYLCROGAYGSQ-KSKAUBAUSA-N 310.422 4.651 30 20 DJED CC(=NNc1cnc2ccccc2n1)C(C)(C)c1ccc(F)cc1 734979953 MEFXEGHKXBQWIX-UHFFFAOYSA-N 322.387 4.535 30 20 DJED CCC(=NNc1ccc(Cl)nc1)c1ccc(Cl)s1 743449985 JJDGKRUDMIKEDU-UHFFFAOYSA-N 300.214 4.676 30 20 DJED CC[C@@H](/N=C\c1c(O)ccc2ccccc12)c1c(C)noc1C 756846292 HTZBDOJRZJCJHX-LELXDKESSA-N 308.381 4.720 30 20 DJED C=C[C@@H](CC(=O)Oc1ccc(C(=O)CC)cc1)c1ccccc1 759183959 GDPNDXFMZNIHSN-HNNXBMFYSA-N 308.377 4.545 30 20 DJED CC1(C)C(=NNc2cc(C#N)cc(Cl)n2)C[C@H]1c1ccccc1 768382537 UPGCVZIRNNYHRS-AWEZNQCLSA-N 324.815 4.588 30 20 DJED COc1ccsc1C(=O)/C=C/c1cccc(-c2ccccn2)c1 769746614 LPEWUZKOGWKOCY-CMDGGOBGSA-N 321.401 4.715 30 20 DJED C#CCCCCN[C@H](C)c1sc(-c2ccc(F)cc2)nc1C 773042466 VMUDOCWJHPAOLJ-CYBMUJFWSA-N 316.445 4.712 30 20 DJED N#Cc1ccc(F)c(CN[C@@H]2CC=C(c3ccc(F)cc3)CC2)c1 779412915 PBQJNLLNGOUJJH-LJQANCHMSA-N 324.374 4.562 30 20 DJED Cc1ccc(/C=C/C(=O)c2cc(C)c(C)o2)c(-c2cnn(C)c2)c1 802706599 SQPBRXCEOQYDGK-BQYQJAHWSA-N 320.392 4.501 30 20 DJED CC(=NNc1nccnc1C1CCC1)c1cc2ccc(C)cc2o1 807993321 ARGGRKJHFKNGHJ-UHFFFAOYSA-N 320.396 4.635 30 20 DJED CCCCCCCCCN(C)C(=O)c1oc(C(C)C)nc1C 814111159 RGNVRFXCNVRCHJ-UHFFFAOYSA-N 308.466 4.929 30 20 DJED C=CCC1(C(=O)Nc2ccc(-c3coc(C)n3)cc2)CCCC1 824510735 ZILDXKVIOSGOER-UHFFFAOYSA-N 310.397 4.725 30 20 DJED C[C@H](NN=Cc1c(Cl)ccc(Cl)c1Cl)C(F)(F)F 834996371 QXDOLWKHMVVYQG-YFKPBYRVSA-N 319.541 4.521 30 20 DJED Fc1ccccc1-c1ccc(C=Nn2cnc3ccccc32)s1 912806291 MTTAZZWCCGBOFB-UHFFFAOYSA-N 321.380 4.786 30 20 DJED CCCCCCCC(=O)O[C@H](C)c1nnc(-c2cccs2)o1 919222882 JCEWBMDRFNKUBA-GFCCVEGCSA-N 322.430 4.763 30 20 DJED CC(C)c1nc(C=NNc2ccccc2C(F)(F)F)cs1 1115878420 NSCZFADXEZIVEC-UHFFFAOYSA-N 313.348 4.731 30 20 DJED N#Cc1ccc(N(C(=O)CC2CCCCCC2)C2CCC2)cc1 1131578913 NHMQGKXYMCTFKK-UHFFFAOYSA-N 310.441 4.804 30 20 DJED Cc1nc(N[C@H]2CCC[C@@H]2CCC(C)C)c(Cl)cc1C#N 1162413456 NADBKOQEMVPAJN-CJNGLKHVSA-N 305.853 4.932 30 20 DJED N#Cc1ccc(NC(=O)[C@H]2CCC[C@H]2c2ccccc2)c(Cl)c1 1266045407 WFFMWOWWCHPFLL-HOTGVXAUSA-N 324.811 4.734 30 20 DJED CC[C@H](C#N)N(CC)C(=O)CC1CCC(C(C)(C)CC)CC1 1289299947 XOXZZKSAQBGZDW-OFLPRAFFSA-N 306.494 4.770 30 20 DJED CC1(C)C[C@@H](c2ccccc2)N(c2ncc(C#N)cc2Cl)C1 1307148777 KSHUAKRXIRELRG-INIZCTEOSA-N 311.816 4.584 30 20 DJED O=C1/C(=C/c2ccc(N3CCCC3)cc2)Cc2c(Cl)cccc21 1337903431 YVNCQLVEAZRFDK-NTCAYCPXSA-N 323.823 4.763 30 20 DJED Cc1cc(C#N)ccc1CN1[C@@H](C)[C@H](c2ccccc2)C[C@H]1C 1460165758 ZRFHDHCBKZKCNI-LLGFUMIMSA-N 304.437 4.633 30 20 DJED CN(CCc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1c1ccccc1 1460247457 NGVCIAUHBWZBRH-FCHUYYIVSA-N 318.464 4.759 30 20 DJED CCc1nnc(S[C@@H]2CCCc3ccccc32)c(C#N)c1CC 1559131487 ZBGOYARIBNUIHN-GOSISDBHSA-N 323.465 4.643 30 20 DJED CC(C)CCN(CCC#N)Cc1ccc2ccc(Cl)cc2n1 1559578112 IIWRCGCJKDDKQV-UHFFFAOYSA-N 315.848 4.650 30 20 DJED N#Cc1cccc(CN2CCC[C@H]2CC2CCCCC2)c1F 1615337136 ICERIXRSPPDKAC-SFHVURJKSA-N 300.421 4.632 30 20 DJED COc1cccc([C@H](C)SCc2cc(C#N)ccc2F)c1 1643774926 CLQYVKYVZAODGN-LBPRGKRZSA-N 301.386 4.700 30 20 DJED CC1(C)CCC[C@@H]1N(Cc1ccccc1)Cc1cc(C#N)ccn1 1644739445 SJQGSFYGVGYUEI-FQEVSTJZSA-N 319.452 4.534 30 20 DJED CC(C)(C#N)CCN1CCC[C@@]1(C)c1ccc(C(F)(F)F)cc1 1648050044 IXIYDMPYACNLAM-KRWDZBQOSA-N 324.390 4.956 30 20 DJED Cc1ccc2oc(CNc3ncc(Cl)c(C)c3C#N)cc2c1 1651246610 CWAVSJBMIPOTRP-UHFFFAOYSA-N 311.772 4.582 30 20 DJED CC[C@@H](Nc1nc(C#N)c(Cl)s1)c1ccc(Cl)s1 1655211392 BYDCQGIAURVRGY-ZCFIWIBFSA-N 318.254 4.946 30 20 DJED Cc1cc(Nc2ccc(CCC(F)(F)F)cc2)c(C#N)cn1 1655217196 SJEZCZWSKFJIBA-UHFFFAOYSA-N 305.303 4.500 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)Cc1cc2ccccc2[nH]1 1657409117 KFGKEHQSQFBRKE-UHFFFAOYSA-N 317.436 4.698 30 20 DJED N#Cc1cc(F)ccc1CN1CCC(=Cc2ccccc2F)CC1 1657800584 LEYNDTKBKYXDAC-UHFFFAOYSA-N 324.374 4.516 30 20 DJED CC(C)(CC#N)CN[C@@H]1CCCC[C@H]1c1ccccc1Cl 1659422751 WVZSHIRVJOKTMR-DOTOQJQBSA-N 304.865 4.896 30 20 DJED C=C(CNC(=O)N(CC)[C@H](CC)c1ccccc1)c1ccccc1 1683121459 NYEIFFYKGDEUQC-HXUWFJFHSA-N 322.452 4.883 30 20 DJED COC(=O)c1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1 6339478 FEDHFRBGQKISSL-MDWZMJQESA-N 316.356 4.523 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1ccc(-c2ccccc2F)o1 63961199 URRYRHNQYVHOQA-UHFFFAOYSA-N 320.323 4.518 30 20 DJED CN(C(=O)c1ccc(C#N)cc1)c1ccc(-c2ccccc2)cc1 81119229 COPIVDOTRSUBCT-UHFFFAOYSA-N 312.372 4.502 30 20 DJED C=CCC[C@H](N[C@H](C)c1nc(-c2ccncc2)cs1)C1CC1 90045746 FWSLNNVJNWLEHP-CJNGLKHVSA-N 313.470 4.601 30 20 DJED C=C(Br)CN[C@@H](c1ccccc1)C1CCCCC1 161378581 PKGPXYFQKQMWJF-INIZCTEOSA-N 308.263 4.806 30 20 DJED CC(C)n1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cn1 171981084 LCQDWSVTQSGPMS-ZZXKWVIFSA-N 309.196 4.667 30 20 DJED Cc1cc(NCCCC(C)(C)C#N)nn1-c1cccc(Cl)c1 179977692 VCMNYKXPFPITHA-UHFFFAOYSA-N 316.836 4.576 30 20 DJED C[C@@H](NCCCC(C)(C)C#N)c1nc(-c2ccccc2)cs1 184516941 OWNDBGMDHHKSQB-CQSZACIVSA-N 313.470 4.791 30 20 DJED N#Cc1ccc(NCc2ccccc2OC2CCCC2)c(F)c1 303100822 HKNJDWBSUNIYCG-UHFFFAOYSA-N 310.372 4.631 30 20 DJED CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 303182450 KNFJVTWKQVVKRA-HUUCEWRRSA-N 322.408 4.515 30 20 DJED COc1cccc2cc(C(=O)/C=C/c3ccc(F)c(C)c3)oc12 303235472 XAMHAAYGFBERJL-VQHVLOKHSA-N 310.324 4.785 30 20 DJED C=CCC[C@@H](NCc1n[nH]cc1C)c1ccc(C(F)(F)F)cc1 352829237 FYDAKOODLRWHLG-OAHLLOKOSA-N 323.362 4.534 30 20 DJED COc1cccc([C@H]2CCCN2CCCCC(C)(C)C#N)c1 409447356 SODUAMPJRAPRTE-GOSISDBHSA-N 300.446 4.552 30 20 DJED C[C@H](NCCCCC(C)(C)C#N)c1nc(C(C)(C)C)cs1 444680383 FFDUSVYLONIXON-ZDUSSCGKSA-N 307.507 4.811 30 20 DJED C=CCn1c(SCCC(=O)c2ccccc2)nc2ccccc21 463045504 SQKOLYXWROLFIM-UHFFFAOYSA-N 322.433 4.587 30 20 DJED C=CCCN(C)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 466652489 XNTVRUWOUVHVRW-UHFFFAOYSA-N 305.830 4.717 30 20 DJED C=CCCN(C)C(=O)N[C@H](C)c1ccc(Cl)c2ccccc12 467096637 SEONZWOGIYPIHP-CYBMUJFWSA-N 316.832 4.772 30 20 DJED CCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H]1CCCC[C@@H]1C 475604997 SYHZCVRLXBOTRB-YTQUADARSA-N 312.457 4.501 30 20 DJED CC(C)(C)CN(CCC#N)C(=O)c1ccc(-c2ccccc2)cc1 477776986 MJWZHGISVBNGIG-UHFFFAOYSA-N 320.436 4.756 30 20 DJED C[C@H](N[C@@H]1CC[C@H](c2cccc(F)c2)C1)c1cccc(C#N)c1 479528792 OXOZMKSEDBRYSO-ADLFWFRXSA-N 308.400 4.684 30 20 DJED C=CCCC[C@H](C)NC(=O)Nc1cnn(C(CC)CC)c1CC 485142687 HCJCZNFJKLLESX-AWEZNQCLSA-N 320.481 4.673 30 20 DJED CCS[C@@H]1CC[C@H](N(C)Cc2ccccc2C(C)(C)C#N)C1 487392446 KQWISNYPBOXIGS-DLBZAZTESA-N 316.514 4.594 30 20 DJED C=CCN(Cc1ccc(Cl)s1)Cc1scnc1C1CC1 495079380 NXQLEQAZSPWIBJ-UHFFFAOYSA-N 324.902 4.924 30 20 DJED C[C@H](N[C@H](C)CCc1c(F)cccc1F)c1ccc(C#N)cc1 510654488 YGJBXHIHWWVACK-KGLIPLIRSA-N 314.379 4.508 30 20 DJED C[C@H](C1CCCCC1)N(C)C(=O)c1ccc(C(C)(C)C#N)cc1 512739053 QQEWQALZIVTYFG-OAHLLOKOSA-N 312.457 4.529 30 20 DJED N#Cc1ccc(CSCc2ccccc2OC(F)F)c(F)c1 521158969 JUFCRNNPGHBCAS-UHFFFAOYSA-N 323.339 4.732 30 20 DJED C=CC[C@@H](C)NC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 523941989 MBONYPPGLLCXLP-CZUORRHYSA-N 306.425 4.567 30 20 DJED C=C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1SCC)c1ccccc1 535376529 OVBIKHDRJPGYTQ-KBAYOESNSA-N 317.498 4.527 30 20 DJED CCC(C#N)(CC)C(=O)Nc1ccc(OCCC(C)C)cc1F 600082307 CQAFZUGBPZOUEX-UHFFFAOYSA-N 320.408 4.519 30 20 DJED C[C@@H](Sc1nccn1Cc1ccccc1)c1ccc(C#N)cc1 609813854 ZMFLERLWDXPWFP-OAHLLOKOSA-N 319.433 4.656 30 20 DJED N#C[C@@H]1CCC[C@@H](Nc2ccccc2SCC(F)(F)F)C1 613252211 CHAFNWNXXJVAOM-VXGBXAGGSA-N 314.376 4.835 30 20 DJED C=CCCOC(=O)[C@@H](Sc1ccccc1F)c1ccccc1 730075718 WOHXVNCTPIXGDW-KRWDZBQOSA-N 316.397 4.778 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C\c1csc(Br)c1)C2 730949657 ZHXRIOHFFPGELO-XGICHPGQSA-N 319.223 4.641 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)/C=C\c1ccccc1 731332054 BWIVPBHIOJSFOX-SSCKCOOKSA-N 322.433 4.733 30 20 DJED CCc1cccc2c(/C=C3/COc4ccc(F)cc4C3=O)c[nH]c12 731565481 QOYWOCWFKZPUCR-ZSOIEALJSA-N 321.351 4.528 30 20 DJED C=CCN(CC1CCCCC1)C(=S)N[C@@H]1CCCC[C@H]1C 732625976 WSAXXTHAVLAENG-NVXWUHKLSA-N 308.535 4.508 30 20 DJED Cc1nc(C)c(C=NN[C@H](C)c2ccc(C(C)C)cc2)s1 736429750 FMAMHRJMWYWJMN-GFCCVEGCSA-N 301.459 4.568 30 20 DJED Cc1cc(N=Cc2cc3ccccc3nc2O)ccc1OC(C)C 741465585 WIIJJYNADVAEKJ-UHFFFAOYSA-N 320.392 4.787 30 20 DJED CCOc1cccc(C(C)=NNc2nccc3sccc23)c1 743531058 CFBBMXSRWZDFDH-UHFFFAOYSA-N 311.410 4.531 30 20 DJED C[C@H](CC=NNc1ccc(OC(F)F)cc1)c1ccccc1 755682355 GUDSHVRZINOPRX-CYBMUJFWSA-N 304.340 4.880 30 20 DJED O=C(/C=C\c1nc(Cl)cs1)c1ccc2cc(O)ccc2c1 759083205 IFFSVMJESHBBKC-WAYWQWQTSA-N 315.781 4.551 30 20 DJED COc1ccsc1C(=O)/C=C/c1cc(C)ccc1OC(F)F 769746847 NUMVAEVIXAOOMI-SNAWJCMRSA-N 324.348 4.563 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2ccccc2C(F)(F)F)c(F)c1 772802105 KNPGSDORKBNTPF-FPLPWBNLSA-N 319.257 4.612 30 20 DJED CC[C@H](C#N)Oc1cccc(CNCC[C@@H](C)c2ccccc2)c1 775027871 LVLIBCMLXSSUDS-YLJYHZDGSA-N 322.452 4.651 30 20 DJED CC[C@H](NCc1ccccc1C(C)(C)C#N)c1ccccc1OC 775089703 RUOPHOOHCKLRKT-IBGZPJMESA-N 322.452 4.737 30 20 DJED Cn1cnc2cc(/C=C/C(=O)c3cc4ccccc4s3)ccc21 780187556 CYQKTMKYZGZPMC-VQHVLOKHSA-N 318.401 4.684 30 20 DJED CC(C)n1nccc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1 794927481 RBYMJMQTCTXGGF-GQCTYLIASA-N 309.196 4.667 30 20 DJED C=CCCCCCCCCNC(=O)[C@@H]1CCCc2cccnc21 805277950 OGKORPZPSWJISH-GOSISDBHSA-N 314.473 4.534 30 20 DJED C=CCc1cc(/C=C2\C(=O)c3ccccc3[C@H]2C)cc(OC)c1O 809159111 IIKUMLDZHDBLNN-NCUBORBFSA-N 320.388 4.513 30 20 DJED Cc1cc(NN=C2CCC[C@@H](C#N)C2)nc2ccc(Cl)cc12 814769299 MKIIJJCSWAWCRA-GFCCVEGCSA-N 312.804 4.678 30 20 DJED Fc1ccc(CON=C[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 853333325 HPJIJCPBPWLYSG-QWHCGFSZSA-N 303.299 4.697 30 20 DJED Cc1cccnc1[C@H]1CCCC(=NNc2ccnc(Cl)c2)C1 853394972 GDLWFGQBBXWRRD-ZDUSSCGKSA-N 314.820 4.564 30 20 DJED O=C(/C=C1/COc2ccc(F)cc21)c1ccc(Cl)c(Cl)c1 918155924 ZRFWIMQBJNOSJG-POHAHGRESA-N 323.150 4.791 30 20 DJED CCCCCCCCCN(C)C(=O)Nc1nnc(C2CC2)s1 918541318 FPTRVYCPQBWTLR-UHFFFAOYSA-N 324.494 4.630 30 20 DJED C=CCOc1ccc(CN[C@@H]2C[C@@H](C)c3c(C)ccc(O)c32)cc1 1117112213 HJEAFKIDENMEIQ-CRAIPNDOSA-N 323.436 4.604 30 20 DJED Cc1c(C(=O)O[C@H]2CC[C@@H](C#N)C2)oc2c1ccc1ccccc12 1122639214 JMGLEOVWNLZDCJ-HIFRSBDPSA-N 319.360 4.744 30 20 DJED CC[C@@H](C)CCC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 1264468469 WQTZAVZNBGGZCO-CQSZACIVSA-N 323.396 4.510 30 20 DJED Cc1cccc2c(C(=O)N(C)c3cc(Cl)ccc3C#N)coc12 1265740120 NIDBUADYSCSMNA-UHFFFAOYSA-N 324.767 4.543 30 20 DJED C[C@@H]1C[C@H](NC(=O)C2(C#N)CCCCC2)C[C@@H](c2ccccc2)C1 1436711867 JQDZUEGLYTTYCI-WDSOQIARSA-N 324.468 4.549 30 20 DJED Cc1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)ccc1Cl 1437179520 QCHDLHXYLMFMRH-UHFFFAOYSA-N 312.800 4.702 30 20 DJED CCN(CC(Cc1ccccc1)Cc1ccccc1)C[C@H](C)C#N 1474376422 MKQAWKJPEFEWDB-LJQANCHMSA-N 320.480 4.570 30 20 DJED C[C@H](OC(=O)CC1(C#N)CCCCC1)c1ccc(Cl)cc1 1527920432 RPOLSPOVZZUVOB-ZDUSSCGKSA-N 305.805 4.808 30 20 DJED C=C(CNc1c(C#N)cnc2c(Cl)cccc12)c1ccccc1 1559206360 YSOFDQZYYVBJMS-UHFFFAOYSA-N 319.795 4.885 30 20 DJED C[C@@H](c1ccc(F)cc1F)N1CC=C(c2ccc(C#N)cc2)CC1 1559715077 QHBDKLDDPFSIBG-AWEZNQCLSA-N 324.374 4.687 30 20 DJED CCCN(c1ccc(Cl)c(C#N)n1)[C@H](CC)c1ccccc1 1639356666 NEALDXMXGOQVTB-QGZVFWFLSA-N 313.832 4.974 30 20 DJED N#Cc1c(F)cccc1S[C@@H](C(=O)C1CC1)c1ccccc1 1643958988 LNAFYVFOBHUSTD-GOSISDBHSA-N 311.381 4.510 30 20 DJED C=C(Br)CN(CC1CCC1)[C@H](C)c1ccccc1 1652543111 HURUPUFYSHEYRH-CQSZACIVSA-N 308.263 4.758 30 20 DJED CC(C)[C@H](Nc1cccc(C#N)n1)c1cccc(C(F)(F)F)c1 1655078010 VCSHCQDVBJPPNJ-INIZCTEOSA-N 319.330 4.781 30 20 DJED N#Cc1ccsc1NC(=O)c1cc2c(Cl)cccc2s1 7988525 CJVXRRVPXCCCHJ-UHFFFAOYSA-N 318.810 4.740 30 20 DJED Cc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 41535741 SYKFQFRBYDBWKC-MRXNPFEDSA-N 318.401 4.609 30 20 DJED Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C/c1cccnc1 66256045 LZHOQFDOTYTNLU-RUDMXATFSA-N 324.380 4.549 30 20 DJED Cc1cccc(C)c1C(=O)Nc1ccccc1SC[C@H](C)C#N 74950161 IVLGONNUUGIFKA-CYBMUJFWSA-N 324.449 4.808 30 20 DJED CCCCCCCC(=O)Nc1c(F)cccc1N1CCCC1 110636987 HBNMFOMZQDVNBU-UHFFFAOYSA-N 306.425 4.725 30 20 DJED C#CCCCCC(=O)N(Cc1cccs1)Cc1cccs1 119582444 PGGJKYGKXUOLRW-UHFFFAOYSA-N 317.479 4.532 30 20 DJED COc1ccccc1-c1ccc(/C=C/C(=O)c2cccnc2)cc1 125215726 VXPAVZVTYHGMNC-JLHYYAGUSA-N 315.372 4.653 30 20 DJED Cc1noc(C)c1CSCc1ccccc1C(C)(C)C#N 133857734 RWHYBYHKYXKKFN-UHFFFAOYSA-N 300.427 4.526 30 20 DJED C[C@H](N[C@H](C)c1c(F)cccc1Cl)c1ccc(C#N)cc1 175026259 UKPKMSAFAFOSHK-NWDGAFQWSA-N 302.780 4.763 30 20 DJED C=CCCCC(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C 175488288 CSFQFABZTUMTRH-UHFFFAOYSA-N 322.408 4.542 30 20 DJED CC(C)[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1F 181893675 XOOJYYFKMFGNRK-YJYMSZOUSA-N 314.379 4.884 30 20 DJED CCCCC[C@@H](C)CC(=O)Nc1ccccc1O[C@H](C)C#N 182058847 ZYXNAXCYNYDHDY-HUUCEWRRSA-N 302.418 4.522 30 20 DJED CCN(C(=O)c1coc2cc(C)c(C)cc12)c1ccc(C#N)cc1 186124158 WAXMBHTXJDFDKN-UHFFFAOYSA-N 318.376 4.588 30 20 DJED C=CCCCCCS[C@H](C)C(=O)Nc1c(F)cccc1F 192549456 OEACUFKTOVVQFQ-GFCCVEGCSA-N 313.413 4.771 30 20 DJED C[C@@H](c1cccc(Cl)c1)N(C)Cc1cccc(C#N)c1F 219517348 QLRFVYXRCJZSML-LBPRGKRZSA-N 302.780 4.544 30 20 DJED CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccccc1SC[C@H](C)C#N 248506145 XIFGYYUTTQNZKF-QWQRMKEZSA-N 316.470 4.559 30 20 DJED CC1=C(/C(O)=N/C(C)(C)/C(O)=N/CC2CCCCC2)CCC1 329021568 SYBABFQUYNGTFZ-UHFFFAOYSA-N 306.450 4.759 30 20 DJED N#C[C@@H]1CCC[C@@H]1/N=C(/O)[C@@H]1C[C@H]1c1cccc2ccccc12 330054251 RSFPZEBWQAGDEI-FZDIXFNVSA-N 304.393 4.592 30 20 DJED Cc1ccc(-c2cccnc2)cc1N=C(O)NC1(C)CCCC1 330330552 NLATXTPLKOTMJS-UHFFFAOYSA-N 309.413 4.525 30 20 DJED C=CCC[C@@H](C(=O)NC[C@@H]1CCCC(F)(F)C1)c1ccccc1 410248510 AEAPJEZJTZVJHV-NVXWUHKLSA-N 321.411 4.678 30 20 DJED CC(C)c1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1 439294310 JBYHQRXDUIMAHG-LJQANCHMSA-N 321.424 4.977 30 20 DJED CCCOc1ccc(CN[C@H](CC)c2ccc(C#N)cc2)cc1 447534101 ZWRIQXAWKUEPGS-HXUWFJFHSA-N 308.425 4.588 30 20 DJED CC[C@H](NC[C@@H]1SCCc2ccccc21)c1ccc(C#N)cc1 447582119 YAQSFBKQQABJGK-PMACEKPBSA-N 322.477 4.630 30 20 DJED CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1SC[C@H](C)C#N 448937193 KPQYWCGUSFFICO-KFWWJZLASA-N 316.470 4.703 30 20 DJED N#CCc1ccc(NC(=O)c2cccc3c2CCCC3)c(Cl)c1 452648597 SGAISRVTKCXHOM-UHFFFAOYSA-N 324.811 4.537 30 20 DJED Cc1cccc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)c1C 464583278 BZNVIWCMIOOTOT-FQEVSTJZSA-N 318.420 4.543 30 20 DJED CCCC(C#N)(CCC)NC(=O)[C@H](C)c1ccc2ccccc2c1 475743184 FHVNALJCMWKJAV-MRXNPFEDSA-N 322.452 4.922 30 20 DJED CCN(Cc1ccc(Cl)cc1C#N)[C@H](C)c1ccc(C#N)cc1 480526154 NQAFNOODWAOJEL-CQSZACIVSA-N 323.827 4.666 30 20 DJED C=CCCO[C@@H](C)c1nc(-c2ccc(C(C)(C)C)cc2)no1 485847215 OUAWSCUHBQNXAN-ZDUSSCGKSA-N 300.402 4.688 30 20 DJED C=CC[C@@H](C(=O)N(C)c1ccccc1SC)c1ccccc1 489705590 BEPCRWGOOBBVOZ-MRXNPFEDSA-N 311.450 4.731 30 20 DJED C=C(C)CN(CC)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 503348658 UFRNVGCTHPDQIH-QGZVFWFLSA-N 320.452 4.911 30 20 DJED Cc1ccc2oc(Nc3cccc(OCCCC#N)c3)nc2c1 513651328 YSQMPSWTVTZQDO-UHFFFAOYSA-N 307.353 4.562 30 20 DJED N#CCCCCN[C@@H](Cc1ccccc1Cl)c1ccccc1 537107587 HREUDOJNRYIOKN-IBGZPJMESA-N 312.844 4.907 30 20 DJED C[C@@H]1C[C@H]1c1ccc(CN(Cc2ccc(CC#N)cc2)C2CC2)o1 542210453 SIXMORGJTPMURI-FOIQADDNSA-N 320.436 4.634 30 20 DJED C[C@@H](c1noc(C[C@H](CC#N)c2ccccc2)n1)c1cccs1 581157413 JKVLBJOZTWFXKC-HIFRSBDPSA-N 323.421 4.523 30 20 DJED CC(=NNc1nc(-c2ccc(F)cc2)cs1)c1ccccc1 585680975 ZUEUWXSOMQQKIU-UHFFFAOYSA-N 311.385 4.785 30 20 DJED Cc1cc(C)c(NC(=O)c2cc(C#N)ccc2Cl)c(Cl)c1 588817288 YNGFVRXGAQRTIS-UHFFFAOYSA-N 319.191 4.734 30 20 DJED N#Cc1ccc2c(c1)[C@H](NC[C@H]1CCCC[C@@H]1C(F)(F)F)CC2 589340624 NCFKCEJEJLUYOC-HYVNUMGLSA-N 322.374 4.504 30 20 DJED C=CCCCSc1nnc(-c2ccc(Cl)cc2)n1CC 605075947 ZVXGCGGRXBPFFR-UHFFFAOYSA-N 307.850 4.677 30 20 DJED N#Cc1cc([N+](=O)[O-])cnc1Oc1ccc(C2CCCCC2)cc1 610316865 GAEIXOGWKFEMJW-UHFFFAOYSA-N 323.352 4.701 30 20 DJED CCCCN(Cc1cc(C#N)cs1)[C@@H](C)c1ccc(C)o1 611258131 YMMUUQATVYZQOG-AWEZNQCLSA-N 302.443 4.885 30 20 DJED C=CCN(C(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccccc1 647741878 NNFNQOMRYZSMCR-UHFFFAOYSA-N 310.784 4.654 30 20 DJED CCCCc1ccc(C(=O)N(CCC#N)c2ccc(C)cc2)cc1 726940528 NALCTSHOUFMZOK-UHFFFAOYSA-N 320.436 4.898 30 20 DJED O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccc(O)c(F)c1 728438638 JHDROHYMEPCBBK-GORDUTHDSA-N 311.139 4.734 30 20 DJED CC(C)(C)c1ncc(/C=C2\Oc3ccc(Cl)cc3C2=O)s1 736433917 LLHBHHNTACEQMC-QPEQYQDCSA-N 319.813 4.710 30 20 DJED CCCCCCCSc1nnc(CCc2ccccc2)o1 742461113 LHEJJHHUGCTSIS-UHFFFAOYSA-N 304.459 4.917 30 20 DJED Cn1c(Cl)cnc1/C=C\C(=O)c1ccc(-c2ccccc2)cc1 752891056 YQWHCHPTQSAIAB-QXMHVHEDSA-N 322.795 4.637 30 20 DJED Cc1c(C(=O)/C=C/c2ccc(Cl)s2)cccc1[N+](=O)[O-] 756786966 LMRAORKNRYLOCP-FNORWQNLSA-N 307.758 4.514 30 20 DJED CC(C)c1ncc(/C=C2\CSc3ccc(F)cc3C2=O)s1 758426798 NPJSGDRPCFDKSD-BJMVGYQFSA-N 319.426 4.778 30 20 DJED COc1ccsc1/C=C/C(=O)c1ccc(-c2ccncc2)cc1 764443232 WGAIXGXTABVMPR-VOTSOKGWSA-N 321.401 4.715 30 20 DJED C=CC[C@H](N[C@H]1CC[C@](C)(c2ccccc2)C1)c1ccncc1 783247433 WXVRRQVLICPABN-ACRUOGEOSA-N 306.453 4.799 30 20 DJED Cc1c(C(=O)/C=C\c2ccc(C(F)F)cc2)cnn1C(C)(C)C 794942664 CXSHJFIQUYOTJK-YFHOEESVSA-N 318.367 4.780 30 20 DJED CC[C@](C)(C#N)c1nc(-c2ccc(SC(C)(C)C)cc2)no1 809440824 TXOMWGDQTHSODA-QGZVFWFLSA-N 315.442 4.818 30 20 DJED CCC[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 813059981 MVVHHMURMAMZOD-OAGGEKHMSA-N 324.449 4.731 30 20 DJED C=CC[C@@H](C(=O)OCc1oc(C(C)C)nc1C)c1ccccc1 813220012 NIJIVNKNRJGGDW-MRXNPFEDSA-N 313.397 4.510 30 20 DJED CC(=NNc1c(C)cc(C)cc1C)c1ccc(C(F)F)nc1 853312114 JHZZREVYYDVMOZ-UHFFFAOYSA-N 303.356 4.781 30 20 DJED CCC[C@@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915352634 NDBRXBRUJCMNHK-BEFAXECRSA-N 321.424 4.652 30 20 DJED CC(=NNc1ncnc2sc(C)c(C)c12)C1CCCCC1 916310520 YRFUWDMPCYCITI-UHFFFAOYSA-N 302.447 4.676 30 20 DJED COc1c(Cl)cc(Cl)cc1/C=C\C(=O)c1ccc(C)o1 921265674 PCNSMHWPPPGHOS-PLNGDYQASA-N 311.164 4.800 30 20 DJED CC(C)Oc1cccc(/C=C\C(=O)c2c[nH]c3ccccc23)c1 921269060 ITJGTFNJFMFSFG-KHPPLWFESA-N 305.377 4.851 30 20 DJED CC[C@H](C#N)C(=O)N[C@H](c1ccccc1C)[C@@H]1CCC[C@H](C)C1 1145003857 IXISSSSBZJRJON-WFEDQXDTSA-N 312.457 4.528 30 20 DJED N#Cc1ccc2c(c1)CCCN2Cc1csc(C2CCCC2)n1 1170661066 HUQJQLYSXQRQEV-UHFFFAOYSA-N 323.465 4.625 30 20 DJED Cc1cccc([C@@H]2CCN(Cc3ccccc3C(C)(C)C#N)C2)c1 1193322042 APFAQAKDPDPDLT-LJQANCHMSA-N 318.464 4.786 30 20 DJED N#Cc1ccsc1NC(=O)c1cc2cc(Cl)ccc2s1 1348025141 CIBKBFLICKTCQA-UHFFFAOYSA-N 318.810 4.740 30 20 DJED CCN(Cc1ccc2ccccc2c1)Cc1ccc(F)cc1C#N 1459349172 LHSPJZSZJIMGHE-UHFFFAOYSA-N 318.395 4.873 30 20 DJED N#Cc1ccc(OCc2cc(Br)ccc2Cl)cc1 1472927113 AEXMDOVFUUYCKF-UHFFFAOYSA-N 322.589 4.553 30 20 DJED CC[C@H](C)[C@@H](C)NCCC(C#N)(c1ccccc1)c1ccccc1 1473323817 UPCGLWHTFHBEHV-RBUKOAKNSA-N 320.480 4.911 30 20 DJED CC[C@H](C(=O)Nc1scc(C)c1C#N)C1CCC(C)CC1 1525499014 WYIYACXJOKTANL-UBHUBRDASA-N 304.459 4.719 30 20 DJED C[C@@H](CC(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CCCCC1 1526287056 VUMCRMVQFALKKZ-AWEZNQCLSA-N 315.461 4.660 30 20 DJED Cc1ccc(C#N)cc1C(=O)O[C@@H](C)c1cc(Cl)ccc1F 1527448057 YYDWBGZSOXBBNY-NSHDSACASA-N 317.747 4.577 30 20 DJED Cc1ccc(SCCN(CCC#N)CCC(C)C)cc1C 1559577806 DHZNHFLLMGQBEZ-UHFFFAOYSA-N 304.503 4.657 30 20 DJED C[C@H]1CCCC[C@@H]1NC(=O)Nc1scc(C(C)(C)C)c1C#N 1562851468 YGNLKGOKASZNJQ-FZMZJTMJSA-N 319.474 4.617 30 20 DJED CCCc1ccc(CCCC(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1 1596979302 WGDNCFLKXQOJTK-RTBURBONSA-N 313.441 4.587 30 20 DJED Cc1c(Cl)cnc(N2CCC[C@H](C(C)(C)C)CC2)c1C#N 1611979425 BBAQBKYOQDHEFR-ZDUSSCGKSA-N 305.853 4.568 30 20 DJED C=C(CNc1cc(-c2cccc(Cl)c2)ncn1)c1ccccc1 1612454646 ZEGQHJQIEBYRQR-UHFFFAOYSA-N 321.811 4.922 30 20 DJED N#Cc1ccc(CSc2nc3cccc(F)c3s2)cc1 1614878239 WAYYCUKCHJDMRH-UHFFFAOYSA-N 300.383 4.599 30 20 DJED CC(C)(NCc1cc(Cl)ccc1OCC#N)C1CCCCC1 1617555176 SKINQZOWIBZQRO-UHFFFAOYSA-N 320.864 4.691 30 20 DJED Cc1cc(NC2CCCCCC2)n2c(nc3ccccc32)c1C#N 1639178381 RKNRERFDZVTYNA-UHFFFAOYSA-N 318.424 4.802 30 20 DJED CC(C)(C#N)CCN1CCC(C)(c2cccc(Cl)c2)CC1 1654281513 XDYVFFPELCBRTO-UHFFFAOYSA-N 304.865 4.633 30 20 DJED Cc1cc(N[C@@H](c2ccccc2)c2cccc(F)c2)ncc1C#N 1655245612 XPGQFQCCDVFFTG-FQEVSTJZSA-N 317.367 4.602 30 20 DJED Cc1ccc([C@H]2[C@@H](C)CCCN2Cc2cccc(F)c2C#N)cc1 1658339230 OSDBPNPEHIXKTH-HRAATJIYSA-N 322.427 4.979 30 20 DJED O=C(O)c1ccc(NN=C2CCC3(CCCCC3)CC2)cc1F 1776075195 TVKQCQDAOPLGKK-UHFFFAOYSA-N 318.392 4.816 30 20 DJED Cc1nc(C)c(C#N)c(SCc2ccc(Cl)c(Cl)c2)n1 25960806 MEZWAWGHGDVQJA-UHFFFAOYSA-N 324.236 4.564 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 29150605 ISFFOXJOFDBJSY-UHFFFAOYSA-N 314.388 4.893 30 20 DJED CCCCCCCCOC(=O)c1csc([C@H]2CCCO2)n1 164118835 LMFVBQJKSPCZNX-CQSZACIVSA-N 311.447 4.512 30 20 DJED C=C(C)[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(F)c(F)c1 186446160 HFTXDXNPIGUPEU-BFUOFWGJSA-N 312.363 4.804 30 20 DJED C#CCCCC(=O)Nc1ccccc1O[C@H](C)c1ccccc1 192319427 CNTSILSKFBJMKP-MRXNPFEDSA-N 307.393 4.569 30 20 DJED Cc1cc(Nc2ccc(C#N)c(Br)c2)ccc1F 228185949 OLKIBTVTKSGTKU-UHFFFAOYSA-N 305.150 4.512 30 20 DJED C[C@H]1CCC[C@H](C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 247088576 ULTVXHGZWQVYIV-ZNMIVQPWSA-N 316.470 4.703 30 20 DJED OC(CC1CCCCCC1)=Nc1nc(C2CCOCC2)cs1 329221734 VFLLFOKYUXLCQP-UHFFFAOYSA-N 322.474 4.986 30 20 DJED CC[C@H](N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(C#N)cc1 375721235 VDAUONPGKHRPGE-ACRUOGEOSA-N 320.436 4.519 30 20 DJED N#CC1(c2ccccc2)CC(Nc2ccc3c(c2)CCCCC3)C1 404540447 FCSQAHNROVRPIE-UHFFFAOYSA-N 316.448 4.991 30 20 DJED C[C@@H](NCC1(CC#N)CC1)c1ccccc1OCc1ccccc1 430750563 BSOIZVTZGCQWHC-QGZVFWFLSA-N 320.436 4.610 30 20 DJED C=CCC(C)(C)CNC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 432558237 ONUJUNCERFPOBW-KRWDZBQOSA-N 312.457 4.526 30 20 DJED N#Cc1ccc(CSCc2ncc(Cl)s2)c(Cl)c1 438873680 AMNAEODTBUKZHT-UHFFFAOYSA-N 315.250 4.755 30 20 DJED C[C@@H]1CC=C(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 455584672 IARPSMCOHUVFNQ-ZIAGYGMSSA-N 314.454 4.766 30 20 DJED C=CCC(CC=C)C(=O)N1CCC(=Cc2cccc(F)c2)CC1 467816410 FXJGWELKSLATFA-UHFFFAOYSA-N 313.416 4.600 30 20 DJED C=C[C@@H](CC(=O)N1CC[C@H](C)c2cccc(O)c21)c1ccccc1 468822269 CNNXRJABCAVOFN-HOTGVXAUSA-N 321.420 4.592 30 20 DJED CC(C)(C#N)c1ccc(C(=O)Nc2cccc3c2CCCC3)cc1 474417715 UCYKKSLOXGQVFI-UHFFFAOYSA-N 318.420 4.619 30 20 DJED CC[C@@H](CC#N)NC(=O)Nc1cc(C)ccc1Oc1ccccc1 475001547 OUSJZQSANCUTQQ-HNNXBMFYSA-N 323.396 4.601 30 20 DJED C=CCC1(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)CCC1 478887944 SPZYSPKDICFWHB-LBPRGKRZSA-N 311.347 4.629 30 20 DJED C=CCC1(C(=O)Nc2cnn(CCC(C)C)c2C(C)C)CCC1 490533281 DPNJRJFDWXEFED-UHFFFAOYSA-N 317.477 4.738 30 20 DJED C[C@@H]1CCCC[C@@H]1CCNCc1cccc(OCCCC#N)c1 512224472 IQBZOARKXBDJSX-IEBWSBKVSA-N 314.473 4.675 30 20 DJED CC[C@H](C)[C@H](NCc1ccc(C#N)o1)c1ccc(Cl)cc1 538430083 RBAFXWWMRKMJQO-SJCJKPOMSA-N 302.805 4.682 30 20 DJED C=CC[C@@H](C)N[C@H](CSC)c1ccc(C(F)(F)F)cc1 542845848 BXKKCTKBILLWTN-BXUZGUMPSA-N 303.393 4.664 30 20 DJED CC(C)Oc1ccc(Cl)cc1NCc1ccc(C#N)cc1 572710088 ALDGLEMDOMOPBD-UHFFFAOYSA-N 300.789 4.611 30 20 DJED N#Cc1cccc(C2(NCc3ccc(-c4ccccc4)o3)CC2)c1 578076338 GHKZRKDYOGTNPG-UHFFFAOYSA-N 314.388 4.597 30 20 DJED C=CCC1(c2nc(CSCc3ccccc3)no2)CCC1 589135839 VFJKEYISYQSGJS-UHFFFAOYSA-N 300.427 4.501 30 20 DJED CCN(C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)[C@@H](C)c1ccc(C#N)cc1 603528739 LHTQYJDMQQCZTQ-SNRMKQJTSA-N 324.468 4.706 30 20 DJED CCCCN(C(=O)c1cccc(CC#N)c1)[C@@H](C)c1ccccc1 603739140 FSNBJALJKXGCAI-KRWDZBQOSA-N 320.436 4.756 30 20 DJED COc1ccc(/C=C/c2nc(-c3ccccc3)cs2)cc1C#N 610218442 OKHHESCPGPTCLV-CSKARUKUSA-N 318.401 4.861 30 20 DJED Cc1nc(C(C)C)sc1[C@H](C)N[C@H](C)c1cccc(C#N)c1 610829687 DYAOJPPEMQBMHT-OLZOCXBDSA-N 313.470 4.858 30 20 DJED CCC(C)(C)c1ccc(NC(=O)N2CCC[C@](C)(C#N)C2)cc1 619211671 ABBGISOPHUHLLE-LJQANCHMSA-N 313.445 4.532 30 20 DJED CCCC[C@H]1CC[C@H](C(=O)Oc2ccc(C#N)c(F)c2)CC1 642771965 ZELJAGIJMDOIML-HDJSIYSDSA-N 303.377 4.599 30 20 DJED C#Cc1cccc(NC(=S)N(CCC)CC2CCCCC2)c1 726474996 NOJDYJHBAPKZKS-UHFFFAOYSA-N 314.498 4.657 30 20 DJED Oc1ccc(Cl)cc1C=Nc1cccc(Oc2ccncc2)c1 732621322 GGPKOOBEIAHWSA-UHFFFAOYSA-N 324.767 4.984 30 20 DJED CSc1ccc(F)cc1CNc1nc2ccccc2cc1C#N 750029454 JDJMBOMJQTZZSB-UHFFFAOYSA-N 323.396 4.580 30 20 DJED Cc1cccc2nc([C@@H](C#N)C(=O)[C@@H](C)CCC(C)(C)C)[nH]c12 755693648 AVAUYYPEXRPDEO-KBPBESRZSA-N 311.429 4.510 30 20 DJED Cc1nc(C2CCCCC2)sc1C(=O)O[C@@H](C#N)C(C)(C)C 765629601 GTQPNZZWGQZROS-ZDUSSCGKSA-N 320.458 4.594 30 20 DJED O=C1/C(=C/c2ccc3cnccc3c2)COc2ccc(Cl)cc21 782351423 KJOGMMAFWSOTFT-OVCLIPMQSA-N 321.763 4.547 30 20 DJED CC1(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CCCC1 785931913 HXDPRKSXNRBLAB-UHFFFAOYSA-N 305.377 4.711 30 20 DJED CC(C)(C)c1cnc([C@@H](C#N)C(=O)CC2CCCCC2)s1 797570760 JYPRDQGVABCKJC-ZDUSSCGKSA-N 304.459 4.587 30 20 DJED N#Cc1ccccc1C(=O)/C=C\c1csc(Cl)c1Cl 799500556 ZBPGQRYKGUHDRR-WAYWQWQTSA-N 308.189 4.823 30 20 DJED C#CCCCCCC(=O)N[C@H](C)c1ccc(F)c2ccccc12 807738765 DVMRBLWCUJOVQF-OAHLLOKOSA-N 311.400 4.740 30 20 DJED Cc1cc(Cl)cc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1O 808680940 QVKGWTXYAWUWOJ-QWHCGFSZSA-N 314.816 4.638 30 20 DJED C=CC[C@@H](N[C@H](C)c1cc(Cl)cc(C)c1O)c1ccncc1 808695789 KIIOYAVWLXEWOC-CXAGYDPISA-N 316.832 4.717 30 20 DJED CCCCCCCCC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1 855952143 RWXVFRWJOJHKJO-ROUUACIJSA-N 309.494 4.545 30 20 DJED N#Cc1c(NC(=O)c2cccc(C3CC3)c2)sc2c1CCCC2 1124368266 BSYYQWRANDAHRL-UHFFFAOYSA-N 322.433 4.628 30 20 DJED CC1(C)CC(NC(=O)c2ccc(Cl)c(C#N)c2)CC(C)(C)C1 1127610368 PLVGVHYVVJRGJF-UHFFFAOYSA-N 318.848 4.546 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[C@H](c2ccccc2)C1 1182436244 ZYYGIVCGBPPZTJ-DWLFOUALSA-N 316.448 4.862 30 20 DJED CC(C)O[C@H](COc1cc(Cl)cc(C#N)c1)c1ccccc1 1189456845 DYVXCPHSVBSNCN-GOSISDBHSA-N 315.800 4.757 30 20 DJED C[C@@H](NC(=O)Nc1sccc1C#N)c1cccc2ccccc12 1219356276 DBCSDKFESDDVKT-GFCCVEGCSA-N 321.405 4.656 30 20 DJED CN(Cc1cccc(C#N)c1F)[C@@H]1CCCC[C@H]1c1ccccc1 1307844224 QQKADTRATPPHAG-VQTJNVASSA-N 322.427 4.856 30 20 DJED CCCN(C/C=C/c1ccc(F)cc1)Cc1ccc(C#N)cc1 1308624002 TXJXVLWBMJVMHL-ONEGZZNKSA-N 308.400 4.623 30 20 DJED CC(C)(C)c1csc(NC(=O)N[C@@H]2CCCC2(C)C)c1C#N 1310783131 AWUAUIIRTMNIJS-CYBMUJFWSA-N 319.474 4.617 30 20 DJED CC[C@H](C#N)[C@H](OC(=O)[C@@H](C)c1ccc(C)o1)c1cccs1 1346399002 DYGKQEFAAQAKAA-ZENOOKHLSA-N 317.410 4.587 30 20 DJED CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)N(C)C1(C#N)CCC1 1435573556 RSYHISQZFNJCSF-WUJZJPHMSA-N 316.489 4.524 30 20 DJED CCC1(CC)CCCN(Cc2ccc(C#N)cc2OC(F)F)C1 1460420119 YYLGAYAIONJHFA-UHFFFAOYSA-N 322.399 4.562 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(Cl)c(F)c1 1473131374 YJZAKVFCWVDYRY-UHFFFAOYSA-N 316.807 4.761 30 20 DJED C[C@H](OC(=O)[C@@H]1CCC[C@@H]1c1ccccc1)c1cccc(C#N)c1 1518199338 QMWFVTJRMHCJKY-CWFSZBLJSA-N 319.404 4.746 30 20 DJED C[C@@H]1C[C@H](CCNC(=O)CC2(C#N)CCCCC2)CC(C)(C)C1 1519983286 COHCGJGLKBUHHB-SJORKVTESA-N 318.505 4.819 30 20 DJED CC(C)[C@H](NC(=O)c1ccc(C#N)o1)c1ccc(C(C)(C)C)cc1 1524359156 QWDIISIQNYAWTR-SFHVURJKSA-N 324.424 4.576 30 20 DJED C=C(CNC(=O)[C@H](c1ccccc1)[C@@H](C)CC)c1ccccc1 1583132363 CKWHEVNAJVGUTB-JXFKEZNVSA-N 307.437 4.646 30 20 DJED CC(C)(C)c1ccc(C#N)c(N[C@H]2CCSc3ccccc32)n1 1611739805 LVIKUDPARFJEFG-HNNXBMFYSA-N 323.465 4.900 30 20 DJED COc1ccc(CNc2cccc(-c3cccs3)c2)cc1C#N 1650712062 UQYXGOKQUMNPTF-UHFFFAOYSA-N 320.417 4.907 30 20 DJED CCC[C@@H]1CCCC[C@H]1CNc1nc(C)c(C#N)cc1Cl 1651945540 FJMBBYBVVJVJRX-KGLIPLIRSA-N 305.853 4.934 30 20 DJED C[C@H](CCC#N)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 1658198775 PAKPCBJNLPZGAR-GFCCVEGCSA-N 309.240 4.775 30 20 DJED CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1ccc(C#N)c(C)c1 1658236160 YIMYOSDZAZACRJ-NRFANRHFSA-N 306.453 4.628 30 20 DJED CC(C)(C)c1ccc(C(=O)/C=C/c2cc(C(=O)O)cs2)cc1 1776120260 ZQOGEUQMZNTNSV-CMDGGOBGSA-N 314.406 4.640 30 20 DJED COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1OC 7717981 SWGANARTVNJICR-ZRDIBKRKSA-N 318.372 4.753 30 20 DJED N#Cc1cccc(CNc2ccc(Cl)c(C(F)(F)F)c2)c1 37009245 JPJQRTXTWZXOQK-UHFFFAOYSA-N 310.706 4.843 30 20 DJED C=CCNc1nnc(S[C@@H](C)c2cccc(Cl)c2)s1 48833484 MTQKLRARYWQRMF-VIFPVBQESA-N 311.863 4.643 30 20 DJED N#Cc1ccc(SCc2ccc(Br)cc2)cc1 95558528 VGSIRAQVBHNNJM-UHFFFAOYSA-N 304.212 4.613 30 20 DJED CCCCCCCCNCc1csc(-c2ccccn2)n1 112345422 QWNVLSCOCMGSNC-UHFFFAOYSA-N 303.475 4.655 30 20 DJED Cc1ccc(Br)c(N[C@H](C)c2cccc(C#N)c2)c1 163826424 LZJHHEWLOJMADN-GFCCVEGCSA-N 315.214 4.802 30 20 DJED N#Cc1ccc(CNc2cccc(COCc3ccco3)c2)s1 176952550 MGYBSVVMZSPRDW-UHFFFAOYSA-N 324.405 4.542 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc(C#N)cc2)c2ccccc12 213543872 PXBGTFZEHXMDAC-BENRWUELSA-N 313.356 4.616 30 20 DJED CCCCCCC[C@H](C)Nc1ccc(NC(C)=O)c(OC)c1 236642249 DURFMYZQMCJKAZ-AWEZNQCLSA-N 306.450 4.815 30 20 DJED Cc1ccc(C(=O)/C=C\c2cccc(OCCCC#N)c2)s1 255828780 ZQKUKPMGADDIPY-HJWRWDBZSA-N 311.406 4.635 30 20 DJED C[C@@H](N[C@@H]1CC2(CCC2)Oc2ccccc21)c1ccc(C#N)cc1 268815234 PRPFEPCPOZHKPB-DNVCBOLYSA-N 318.420 4.655 30 20 DJED C=CCCCCNC(=O)Nc1ccccc1S[C@H](C)CC#N 274625833 UYTZNWKAXMGJHS-CQSZACIVSA-N 317.458 4.559 30 20 DJED Cc1oc2ccccc2c1C/C(O)=N/[C@@H]1CCCc2occc21 329845512 XYWPLCZNSUNSDQ-MRXNPFEDSA-N 309.365 4.911 30 20 DJED C[C@@H]1C(=O)CC[C@@H]1CC(O)=Nc1ncc(C2CCCCC2)s1 330035207 XBNHJFGFQJWLFU-WCQYABFASA-N 320.458 4.784 30 20 DJED CSCc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1 355616691 CHAOGKUASKLWGI-KRWDZBQOSA-N 324.449 4.576 30 20 DJED CC(C)c1ccc(NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1 425617490 BSEVPXCTQNBBFJ-OAHLLOKOSA-N 321.424 4.907 30 20 DJED Cc1cccc([C@@H]2CCCN2c2ncc(C#N)cc2Cl)c1C 462855285 CDNPVLGGCWAWFW-KRWDZBQOSA-N 311.816 4.565 30 20 DJED C=CCCC1(C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)CC1 476302109 HHMWLQUKUXTNNF-UHFFFAOYSA-N 324.251 4.625 30 20 DJED C=C(C)COc1cccc(NC(=O)c2cccc(Cl)c2F)c1 476995550 MJNJOXDDVMZUJQ-UHFFFAOYSA-N 319.763 4.686 30 20 DJED CCOCc1ccc(N[C@@H]2CCCCc3cc(C#N)ccc32)cc1 481999546 HBMWETZIGWJFNL-OAQYLSRUSA-N 320.436 4.974 30 20 DJED C=CCSc1ccccc1C(=O)Nc1nc(CCC)cs1 485511409 AUMGHVZMKXJXAY-UHFFFAOYSA-N 318.467 4.626 30 20 DJED N#Cc1c(F)cccc1N1CCC[C@H]1c1ccc(Cl)cc1 506825314 QBAQEZJSTPLULC-INIZCTEOSA-N 300.764 4.692 30 20 DJED C=CCN(Cc1ccccc1)Cc1cc(-c2ccc(F)cc2)no1 514231030 QSMROWVBZDASIL-UHFFFAOYSA-N 322.383 4.669 30 20 DJED Cc1ccccc1[C@@H](C)CC(=O)Nc1ccc(Cl)c(C#N)c1 522539330 SHZDREPVVZRCAV-ZDUSSCGKSA-N 312.800 4.652 30 20 DJED CCN(C(=O)CC1CCC(C)CC1)[C@@H](C)c1ccc(C#N)cc1 524538162 OXIYSGUMYUDUNV-CGZBRXJRSA-N 312.457 4.684 30 20 DJED CSc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1F 531696295 FXBNZOHUMPPQRH-QWHCGFSZSA-N 314.429 4.831 30 20 DJED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2ccccc2)ccc1Cl 547383424 LEHPBKCSTLQLQB-GOSISDBHSA-N 324.811 4.579 30 20 DJED C=CCC(C)(C)C(=O)Nc1cccc(N2CCCCCC2)c1 551380986 LUEUTPKWCKURGW-UHFFFAOYSA-N 300.446 4.608 30 20 DJED N#Cc1ccc(CN2CC[C@@H](C(F)(F)F)c3ccccc32)s1 560569913 WZHRDHUHZCARDM-CQSZACIVSA-N 322.355 4.676 30 20 DJED C=CCC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 565924866 ZPDDRFGEIXTZIP-LEWJYISDSA-N 302.421 4.843 30 20 DJED CCN(C(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1Cl 566587368 GXHFTUCHZPHZIL-UHFFFAOYSA-N 319.191 4.532 30 20 DJED CC(C)Oc1ccccc1[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 583351948 YTONNMRNZRBSFS-QRWLVFNGSA-N 320.436 4.684 30 20 DJED COc1ccccc1-c1ccc([C@@H](C)NC[C@H](C)CCC#N)cc1 602561788 FWBKUMHIIVEHOT-IAGOWNOFSA-N 322.452 4.953 30 20 DJED C=CCCCCCN(C)C(=O)c1csc(-c2ccc(C)o2)n1 606814860 ULUAWTJWKKIDOD-UHFFFAOYSA-N 318.442 4.530 30 20 DJED CCC1(C)CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 609205359 POUZIMJCZOCVAB-UHFFFAOYSA-N 313.445 4.532 30 20 DJED CC(C)(C#N)CCCNc1ccc(F)cc1OC1CCCC1 610897144 QFUZPKXOCXNJTA-UHFFFAOYSA-N 304.409 4.889 30 20 DJED COc1cc(Cl)c(Cl)cc1N[C@@H](C#N)Cc1ccccc1 616177011 OEIJCIYNTBYLNV-GFCCVEGCSA-N 321.207 4.549 30 20 DJED COc1cccc(/C=C2\Cc3c(C)cccc3C2=O)c1OC(C)C 729150391 KBXYYWXDKRBZER-LFIBNONCSA-N 322.404 4.613 30 20 DJED O=C1/C(=C/c2ccnc3ccccc23)CSc2ccc(F)cc21 731835622 KYNYLLAHXAOOCT-UKTHLTGXSA-N 321.376 4.746 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc(Oc3cccnc3)c(C)c2)o1 732714300 PLXZAUNBCJEJSI-VURMDHGXSA-N 319.360 4.980 30 20 DJED Cc1cc(C(=O)/C=C/c2ccc(OCC(F)F)cc2)c(C)s1 741852530 NLJWWVSXDLCQLC-VMPITWQZSA-N 322.376 4.905 30 20 DJED C/C(=C\C(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)(C)C 742648795 CKZIIFCIRPEBQC-LFGHMXSPSA-N 316.470 4.869 30 20 DJED O=C(/C=C/c1cccc(-n2cccn2)c1)c1coc2ccccc12 747705671 QDWVXTPJVYZGLI-MDZDMXLPSA-N 314.344 4.515 30 20 DJED CCCCCCCNc1cc(C[S@](C)=O)ccc1Cl 749273828 VNTNDWICSFIPQR-IBGZPJMESA-N 301.883 4.601 30 20 DJED O=C(/C=C\c1ccc(Cl)nc1)c1ccc(-c2ccccc2)o1 761804255 MDPJIAWEOHJBTH-VURMDHGXSA-N 309.752 4.891 30 20 DJED Cc1ccc(C(C)(C)C(=O)OCCCCC(C)(C)C#N)cc1 768670338 NLOSOJKMBLXYJE-UHFFFAOYSA-N 301.430 4.536 30 20 DJED Cc1ccsc1C(=O)/C=C\c1ccc([N+](=O)[O-])c(Cl)c1 774140206 UQUSSIHVNXLHIK-HYXAFXHYSA-N 307.758 4.514 30 20 DJED Clc1ccc(C(Cc2ccccn2)=NOC2CCCC2)cc1 774597072 OTUPSEFGPXXKHY-UHFFFAOYSA-N 314.816 4.641 30 20 DJED CCCC[C@@H](C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 800385945 FTGKYZZDXRUAQX-ZYHUDNBSSA-N 320.845 4.952 30 20 DJED C=C(C)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1 819923190 WVNRDPUASJTXNE-UHFFFAOYSA-N 314.888 4.985 30 20 DJED C=CC[C@H](N[C@H](C)Cc1coc2ccccc12)c1ccncc1 823888041 VFUUAMLNVKGISQ-BEFAXECRSA-N 306.409 4.666 30 20 DJED O=C1/C(=C/c2cccs2)COc2c(Cl)cc(Cl)cc21 912858823 FVMJIGKOMUMPAF-XBXARRHUSA-N 311.189 4.714 30 20 DJED C#Cc1cccc(NC(=O)N(Cc2ccc(Cl)cc2)C2CC2)c1 916673905 TYIXMXAHYUQDCZ-UHFFFAOYSA-N 324.811 4.518 30 20 DJED C/C(=C/C(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 917543367 MWWRKOZLPJLCRT-QBFSEMIESA-N 322.433 4.541 30 20 DJED Cc1ccc(-c2csc([C@H](C#N)C(=O)C=C3CCCC3)n2)cc1 918490166 PPVOCKHJIXROKD-MRXNPFEDSA-N 322.433 4.795 30 20 DJED CCCCCc1ccc(NC(=O)c2ccccc2OCC#N)cc1 919811077 IGTCQUKOMXSAGB-UHFFFAOYSA-N 322.408 4.574 30 20 DJED Cc1ccc(C(=O)N2CCCCC[C@@H]2c2ccccc2)cc1C#N 1125564725 DSIRUUONEZGTKN-HXUWFJFHSA-N 318.420 4.624 30 20 DJED Cc1cccc2cc(C(=O)Nc3ccc(Cl)cc3C#N)oc12 1131134342 HRSFGIHPRLWQCT-UHFFFAOYSA-N 310.740 4.519 30 20 DJED N#Cc1cnc(NC[C@H]2CCC[C@H]2c2ccccc2)c(Cl)c1 1163383706 LHKYLDIWVHNDHR-CVEARBPZSA-N 311.816 4.602 30 20 DJED CC(C)CN(Cc1ccccc1)c1nc(C(C)(C)C)ccc1C#N 1185080741 DAVCZTHONHUEFN-UHFFFAOYSA-N 321.468 4.913 30 20 DJED N#Cc1cccc(Sc2ncc(C(F)(F)F)cc2Cl)c1 1306992328 XQPUBMMICRTQCU-UHFFFAOYSA-N 314.719 4.777 30 20 DJED Cc1cc(Cl)cc2c1N(Cc1cccc(C#N)c1F)CCC2 1307545103 LUKPWIBZUVBUPH-UHFFFAOYSA-N 314.791 4.612 30 20 DJED Cc1cc(CN[C@@H]2CCC[C@@H](C#N)C2)ccc1-c1ccccc1 1308707403 VUTFLUZOSCHWLF-YLJYHZDGSA-N 304.437 4.834 30 20 DJED N#C[C@H]1CCC[C@H](OC(=O)c2ccc(-c3ccccc3)s2)C1 1460800508 ZQPQFIDODYKFNU-ZFWWWQNUSA-N 311.406 4.654 30 20 DJED CCc1ccc(C2CCN(Cc3ccc(CC#N)cc3)CC2)cc1 1473692133 VLARTZAWMGYZKI-UHFFFAOYSA-N 318.464 4.695 30 20 DJED C[C@@H](CC1CCCC1)C(=O)N(c1ccccc1C#N)C1CCC1 1532032425 ATPJYFHIRSBASM-HNNXBMFYSA-N 310.441 4.660 30 20 DJED CC[C@@H](C)[C@@H](C)NCc1cccc(OCc2ccccc2C#N)c1 1620805075 IIBFZJMILWMGSN-IAGOWNOFSA-N 322.452 4.661 30 20 DJED N#Cc1cccc(SCc2ccc(OC(F)(F)F)cc2)c1 1640957127 GSLBPEIBBZJSDX-UHFFFAOYSA-N 309.312 4.749 30 20 DJED C[C@H]1CC(C)(C)CC[C@H]1NCc1cc(Cl)ccc1OCC#N 1642812019 GSRZVEQQEYZLJC-XJKSGUPXSA-N 320.864 4.547 30 20 DJED CC1(C)CC[C@H]1NCCC(C#N)(c1ccccc1)c1ccccc1 1645721274 WPRRRCPLMDVENA-HXUWFJFHSA-N 318.464 4.665 30 20 DJED Cc1ccc(C#N)c(NCC(C)(C)CCCc2ccccc2)n1 1650762196 NSTZWSCRAPNSKZ-UHFFFAOYSA-N 307.441 4.723 30 20 DJED CCc1ccc([C@H](Nc2ncc(C#N)cc2Cl)C(C)C)cc1 1651315335 AKZXEPLBGCQOQL-QGZVFWFLSA-N 313.832 4.978 30 20 DJED CC1(C)C[C@@H](c2ccccc2)N(Cc2ccc(OCC#N)cc2)C1 1653976452 XKSSAPWGXUDNCD-FQEVSTJZSA-N 320.436 4.562 30 20 DJED CCCCc1nc(COc2ccc(C#N)cc2Cl)cs1 1656154533 MQJWMDCGGVSKON-UHFFFAOYSA-N 306.818 4.590 30 20 DJED Cc1cc(CN2CCC[C@H]2c2cccc(C)c2C)ccc1C#N 1658251240 KMZVJHOXNPRKAQ-NRFANRHFSA-N 304.437 4.821 30 20 DJED Cc1ccc([C@H](CC(F)(F)F)N[C@@H]2CCC[C@@H](C#N)C2)cc1 1659340758 BWAVZDXNVMDSNC-BMFZPTHFSA-N 310.363 4.661 30 20 DJED N#Cc1ccsc1NC(=O)N1CCC[C@@H]1CC1CCCCC1 1678963384 WBQMFTBMFMLWGT-OAHLLOKOSA-N 317.458 4.586 30 20 DJED CCCC1CCC(C(C)=NNc2ccc(C(=O)O)cc2)CC1 1776013676 KMUDFHKVNIOYGK-UHFFFAOYSA-N 302.418 4.779 30 20 DJED CCCCCC(CCCCC)=NNc1ccc(C(=O)O)nc1 1776070037 RLRSWCQZZCSIMN-UHFFFAOYSA-N 305.422 4.708 30 20 DJED O=C(/C=C/c1ccc(O)c(Cl)c1)c1c[nH]c2cc(F)ccc12 72059096 ZYJZDBRXHFJCMU-ORCRQEGFSA-N 315.731 4.562 30 20 DJED N#Cc1csc(C(=O)Nc2ccccc2-c2cccs2)c1 84073213 LPCCOVKORBFAMN-UHFFFAOYSA-N 310.403 4.601 30 20 DJED Cc1ccc(NC(=O)C(C)(C)C)cc1NCC(C)(C)CCC#N 92169589 BDFMMLABWMZASU-UHFFFAOYSA-N 315.461 4.722 30 20 DJED O=C(/C=C\c1cnn(-c2ccccc2)c1)c1cc2ccccc2o1 96891349 HJYFOJSCALVVFL-KHPPLWFESA-N 314.344 4.515 30 20 DJED COc1ccc(OC)c(/C=C\C(=O)c2ccc3ccccc3c2)c1 210442824 HVVACFNXDAHHQB-LUAWRHEFSA-N 318.372 4.753 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(C(F)(F)F)cc2)cc1F 213185063 VWASSAVXGOEAEU-WAPJZHGLSA-N 324.273 4.749 30 20 DJED C[C@H](c1ccccc1)N(C(=O)Nc1ccc(CC#N)cc1)C1CC1 287212214 XAFIVMDPZPPMML-OAHLLOKOSA-N 319.408 4.510 30 20 DJED CC[C@H]1OCCC[C@H]1C(O)=Nc1ncc(-c2ccccc2)s1 330312432 OHTNLHFBFRMDJE-ZIAGYGMSSA-N 316.426 4.603 30 20 DJED Cc1nc(-c2ccc([C@H](C)Nc3cccc(C#N)n3)cc2)cs1 339220558 PAUQPZVXTAWZAN-LBPRGKRZSA-N 320.421 4.558 30 20 DJED CC[C@@H](C)CCC(=O)Nc1ccccc1S[C@@H](C)CC#N 352689776 RMRQHNYAOUMXQN-KGLIPLIRSA-N 304.459 4.846 30 20 DJED C[C@H](NCc1ccco1)c1ccc(-c2cccc(C#N)c2)cc1 374694211 OBCIOVSFVOHKPC-HNNXBMFYSA-N 302.377 4.669 30 20 DJED CCSc1cccc(-c2noc(-c3ccc(CC#N)cc3)n2)c1 426609088 DFOYWLPAWYBMQV-UHFFFAOYSA-N 321.405 4.582 30 20 DJED C=CCC(C)(C)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 429912924 YJYPXMYDPPMFCY-UHFFFAOYSA-N 300.229 4.554 30 20 DJED Cc1ccc(C)c(NC(=O)c2sc3ccc(C#N)cc3c2C)c1 429917795 CBWUGYJPWXFXDB-UHFFFAOYSA-N 320.417 4.951 30 20 DJED Cn1c(-c2ccc(F)c(C#N)c2Cl)nc2cc(Cl)ccc21 430894972 QZGZSOVUSGJTFB-UHFFFAOYSA-N 320.154 4.558 30 20 DJED C=C[C@H](CC(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccccc1 437444010 AWPUKAYTGVSBNW-XFQXTVEOSA-N 323.411 4.548 30 20 DJED C=CCN(Cc1cccs1)C(=O)[C@H](CC)c1ccc(F)cc1 448136287 DFUGQUIXSOFRTI-QGZVFWFLSA-N 317.429 4.596 30 20 DJED CC1(C#N)CCC(NCCCCCc2ccc(F)cc2)CC1 449258627 NLGCIUUUUWJBEY-UHFFFAOYSA-N 302.437 4.601 30 20 DJED CCC[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 474417619 QXNSJLKSGIKTNF-LJQANCHMSA-N 320.436 4.759 30 20 DJED CSc1cccc(NC(=O)C[C@H](CC#N)c2ccccc2)c1C 476559407 JSAGLMXGNHMDJK-INIZCTEOSA-N 324.449 4.743 30 20 DJED C=CC[C@H](C(=O)N(C)Cc1ccc(Cl)s1)c1ccccc1 487763643 VQOFEKGEOIHROZ-HNNXBMFYSA-N 319.857 4.720 30 20 DJED C=CCC(C)(C)CNC(=O)c1ccccc1CCC(F)(F)F 489962280 BRXUBKHHMYHFJY-UHFFFAOYSA-N 313.363 4.514 30 20 DJED N#CCCCOc1cccc(NC[C@@H]2C[C@@H]2c2ccccc2)c1 503041975 CNMCBFMVPPKCRC-FXAWDEMLSA-N 306.409 4.585 30 20 DJED CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(C#N)c1 515106183 LGEUPRNEWNCENX-UHFFFAOYSA-N 321.424 4.520 30 20 DJED C=CC[C@H](C)NC(=O)N[C@H](CCc1ccccc1)c1ccccc1 523949273 RBOJYXPIFOUHLR-FXAWDEMLSA-N 322.452 4.624 30 20 DJED C[C@@H](NCCc1csc2ccccc12)c1cccc(C#N)c1 539499878 MNODOINWRBUJDS-CQSZACIVSA-N 306.434 4.666 30 20 DJED CC(C)(CCC#N)CN1CCC[C@H](Oc2ccccc2Cl)C1 539863421 WCOOTDPFBBHWCQ-HNNXBMFYSA-N 320.864 4.513 30 20 DJED C[C@@H](NCc1csc2ccccc12)c1ccc(C#N)c(F)c1 540707529 HLWAPVFVRIBLNA-GFCCVEGCSA-N 310.397 4.763 30 20 DJED CSc1ccc(Cl)c(C(=O)Nc2scc(C)c2C#N)c1 571802330 RTLYQTFJOBCUGG-UHFFFAOYSA-N 322.842 4.556 30 20 DJED N#CCc1cccc(NC(=O)Nc2ccc(C3CCC3)cc2)c1 578297235 DMSSGCVQTIDJRF-UHFFFAOYSA-N 305.381 4.664 30 20 DJED N#CCCCCCC(=O)Nc1ccccc1Nc1ccccc1 589841661 BCQUBEFBSCSUMK-UHFFFAOYSA-N 307.397 4.843 30 20 DJED C[C@H]1C[C@@H](N[C@@H](C)c2cccc(C#N)c2)c2ccsc2S1 610829944 SVNJLWYMEJWVGZ-MQIPJXDCSA-N 314.479 4.896 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1ccc(COC(C)(C)C)cc1 683789354 QCQOTAZBLAAQLO-KRWDZBQOSA-N 316.445 4.574 30 20 DJED CCC[C@@H](C)N1Cc2ccc(N=Cc3ccccc3O)cc2C1 726427607 QOAQMWVXVDHXBA-OAHLLOKOSA-N 308.425 4.647 30 20 DJED Cc1c(NN=Cc2cccc(Cl)c2Cl)cccc1[N+](=O)[O-] 727973180 TUGQBMNZAJNSAX-UHFFFAOYSA-N 324.167 4.656 30 20 DJED Cc1cc(C)cc(C(=O)/C=C/c2c(Cl)nc3ccccn23)c1 730437782 UXGHKAXGRRCARD-VOTSOKGWSA-N 310.784 4.501 30 20 DJED CC(=NNc1ncc(Cl)cc1Cl)c1ccc(F)cc1C 731314775 OGODYEMLQMBXSW-UHFFFAOYSA-N 312.175 4.672 30 20 DJED Cc1ccc(/C=C2/CCOc3c(Cl)cccc3C2=O)s1 733749472 XOHMUAKHDPCKIQ-LUAWRHEFSA-N 304.798 4.759 30 20 DJED Cc1cc(C(=O)/C=C/c2cc(Cl)ccc2[N+](=O)[O-])c(C)s1 739425337 OHHIEPBJYXMKDA-ZZXKWVIFSA-N 321.785 4.823 30 20 DJED Cc1ccc(C)c(/C=C\C(=O)c2c(Cl)nc3sccn23)c1 741844413 OWMPJRSRDHVAQF-WAYWQWQTSA-N 316.813 4.562 30 20 DJED O=C1/C(=C/c2ccsc2)COc2c(Cl)ccc(Cl)c21 748583087 ARBOTFCYYXBWBE-WEVVVXLNSA-N 311.189 4.714 30 20 DJED Brc1ccc(NN=Cc2ccccc2C2CC2)cc1 751130890 NUAXBFVBZMAEPL-UHFFFAOYSA-N 315.214 4.773 30 20 DJED FC(F)(F)c1ccccc1ON=Cc1ccc2ncccc2c1 754709940 PQMIYFCCJDEPHQ-UHFFFAOYSA-N 316.282 4.667 30 20 DJED C#CCOc1ccc([C@@H](C)N[C@@H](CC)c2ccccc2OC)cc1 764882627 NTMQVKINMLENIW-UZLBHIALSA-N 323.436 4.509 30 20 DJED Cc1ccc(C(C)(C)CN[C@@H](C)c2ccc(OCC#N)cc2)cc1 776154818 CBQBJATUPVNWQB-KRWDZBQOSA-N 322.452 4.526 30 20 DJED CC(C)(C)c1cnc(/C=C/C(=O)c2c[nH]c3ccccc23)s1 790601906 AVLVGEHOUGKXDZ-CMDGGOBGSA-N 310.422 4.818 30 20 DJED Fc1cccc(Cl)c1NN=C1CCC[C@@H]1c1ccccn1 794931581 XVCZUPVKGUTAAT-LLVKDONJSA-N 303.768 4.610 30 20 DJED CCOc1c(Cl)cccc1/C=C/C(=O)c1coc(C(C)C)n1 806558082 RIUBVONUGYVYRT-CMDGGOBGSA-N 319.788 4.746 30 20 DJED CCc1cccc(Cl)c1C=NNc1ccc([N+](=O)[O-])cc1C 807989834 ONHPOKMNEHYWKO-UHFFFAOYSA-N 317.776 4.565 30 20 DJED Cc1cc(NN=Cc2cccc(C#N)c2)nc2ccc(Cl)cc12 839403341 NVLOLBZEURSZGS-UHFFFAOYSA-N 320.783 4.514 30 20 DJED CC[C@@H](N[C@@H]1CSCc2ccccc21)c1cccc(C#N)c1 902776719 NQSIENXTTHPJRX-RTBURBONSA-N 308.450 4.587 30 20 DJED CCOc1ccc(O)c(C=Nc2ccc(OCC)c(Cl)c2)c1 915981725 WGSFAJIJIQRVAD-UHFFFAOYSA-N 319.788 4.594 30 20 DJED CCCCOc1ccc(C(=O)/C=C\c2cccs2)cc1OC 915990349 NRTLCQAONZGQOK-HJWRWDBZSA-N 316.422 4.832 30 20 DJED Cc1cc(CN(Cc2ccc(C#N)cc2)CC(C)C)cc(C)c1O 1180153174 HKRHEHIHFJEBGZ-UHFFFAOYSA-N 322.452 4.539 30 20 DJED Cc1cc(C)c(C#N)c(NCc2ccc(OC3CCCC3)cc2)n1 1262728769 QLTASJFZJYJALC-UHFFFAOYSA-N 321.424 4.504 30 20 DJED CCCCC[C@](C)(CC)C(=O)Nc1ccc(OCC#N)cc1 1320798020 OPTSGLUXKTYHSA-SFHVURJKSA-N 302.418 4.524 30 20 DJED C=CCn1cnnc1S[C@@H](C)c1ccc(Cl)c(Cl)c1 1323675319 OQNXIXSMRRHJRD-VIFPVBQESA-N 314.241 4.624 30 20 DJED C#CCCCCCc1nnc(COc2ccc3ccccc3c2)o1 1326960777 ASNBJJWQIDOJRK-UHFFFAOYSA-N 320.392 4.538 30 20 DJED CC[C@@H](OC(=O)c1cc(C#N)ccc1C)c1ccc(C)c(F)c1 1435758946 MKAQQKYULLLNFC-GOSISDBHSA-N 311.356 4.622 30 20 DJED CC(C)(C)CN(C(=O)CC1(C#N)CCCCC1)c1ccccc1 1435954723 IRXRDIGWSTXWSS-UHFFFAOYSA-N 312.457 4.930 30 20 DJED CCCN(C(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1F 1461583356 KAZFFRRBDAKILK-KRWDZBQOSA-N 324.399 4.656 30 20 DJED CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)CC1 1518030607 QSJNGBHUGDGLGU-CZUORRHYSA-N 318.848 4.546 30 20 DJED CSc1ccc([C@H](C)OC(=O)CC2(C#N)CCCCC2)cc1 1538076717 DEBUDMSKSWAIDJ-AWEZNQCLSA-N 317.454 4.877 30 20 DJED CCCCN(C(=O)c1cccc(C#N)c1C)[C@H](C)c1ccccc1 1538893264 NUYLQDUXUXRDCN-QGZVFWFLSA-N 320.436 4.870 30 20 DJED Cc1c(Cl)cnc(N2CCCC3(CCCCCC3)C2)c1C#N 1559122800 MMQJHGQIGVTQDT-UHFFFAOYSA-N 317.864 4.856 30 20 DJED CCCCN(Cc1ccc(C#N)c(OC)c1)[C@H](C)c1ccccc1 1560678153 VJHMYLLTFFPMBM-QGZVFWFLSA-N 322.452 4.930 30 20 DJED C[C@@H](CCC#N)CNC(C)(C)Cc1ccc(C(F)(F)F)cc1 1560760813 RMBPXDBXSYZTQP-ZDUSSCGKSA-N 312.379 4.556 30 20 DJED Cc1c(Cl)cccc1C(=O)N(c1ccccc1C#N)C1CCC1 1587311112 VJFOITHLTHHQKE-UHFFFAOYSA-N 324.811 4.719 30 20 DJED Cc1ccc(SCc2ccc(Br)cc2C#N)s1 1613865850 RZRPVOYRBNHRBB-UHFFFAOYSA-N 324.268 4.983 30 20 DJED N#Cc1cc(N[C@@H]2CC[C@@H]2C2CC2)ccc1Oc1ccccc1 1621275576 JRCJYIVLPHUWOU-RTBURBONSA-N 304.393 4.951 30 20 DJED CCCCN(CCCC)Cc1ccc(C#N)cc1OC(F)F 1657439244 YMTWBSSRSBMNAD-UHFFFAOYSA-N 310.388 4.562 30 20 DJED CCC(=NNc1cccc(C(=O)O)c1C)[C@H](C)Cc1ccccc1 1776089247 JCNNJQBLGNARPJ-CQSZACIVSA-N 324.424 4.750 30 20 DJED COc1cccc(NN=C2c3ccccc3-c3ccccc32)c1 19338927 YVXFDCKFXMVTGM-UHFFFAOYSA-N 300.361 4.540 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)c2cc3ccccc3s2)cc1 25438733 PBPMXUPIJQJLSJ-UHFFFAOYSA-N 320.417 4.955 30 20 DJED CC(C)CCC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32288740 QKVAFFZKDSYYBC-UHFFFAOYSA-N 322.408 4.512 30 20 DJED O=C(/C=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 33619125 JGHKTHVEAHZVGI-WAPJZHGLSA-N 322.147 4.798 30 20 DJED CC[C@H](C)[C@H](C(=O)Nc1ccc(CC#N)cc1)c1ccccc1 57821081 YHVJTSMIDOTDEW-KXBFYZLASA-N 306.409 4.521 30 20 DJED Cc1ccc2oc(C(=O)Nc3ccc(Cl)c(C#N)c3)cc2c1 58071919 GENRZGFSTZWFKD-UHFFFAOYSA-N 310.740 4.519 30 20 DJED Cc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)c(OC(C)C)c1 126003139 NVCIAXNKVNOPGW-INIZCTEOSA-N 308.425 4.505 30 20 DJED Cc1cccc(NC2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)c1 152981990 NROSDNHDYWCRAX-KRWDZBQOSA-N 319.452 4.504 30 20 DJED N#CCCCOc1cccc(CNc2cccc3ncccc23)c1 157881938 CXJSMMCNZWNMLJ-UHFFFAOYSA-N 317.392 4.529 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccc(COC2CCCC2)cc1 160526361 BRUGAOCGDFQNGH-UHFFFAOYSA-N 316.445 4.576 30 20 DJED CCCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H](C)CC#N 189975632 MTLBWUMEBMTHHQ-AWEZNQCLSA-N 301.434 4.528 30 20 DJED Cc1ccc(C(=O)/C=C\c2csc(-c3ccc(F)cc3)n2)o1 212109747 CSJPCXZEUZIGOH-FPLPWBNLSA-N 313.353 4.747 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1cccc(C)c1C 277491222 XAUIIOKOAQCKAR-GOSISDBHSA-N 305.462 4.597 30 20 DJED CC[C@@H]1CCC[C@@H](/N=C(/O)c2ccc3c(c2)N=C(O)C3(C)C)C1 328816769 CXBXZRZVUSPHRH-TZMCWYRMSA-N 314.429 4.839 30 20 DJED N#CCC[C@H](NC/C=C/c1ccc(F)c(F)c1)c1ccccc1 352761328 WBULVNHJYBDCPG-UEKDZROGSA-N 312.363 4.613 30 20 DJED CCC[C@@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)c1ccccc1 425641170 UZPOYLVIMMMYHO-OXQOHEQNSA-N 320.436 4.662 30 20 DJED CCC(CC)N(CC(C)C)C(=O)Nc1ccc(C#N)cc1Cl 426148610 JOVSGHCAZRYBHJ-UHFFFAOYSA-N 321.852 4.890 30 20 DJED Cc1ccc([C@@H](NCc2cccc(C#N)c2)C2CCCC2)cc1 446742763 CDOBEOBKLJKJOL-NRFANRHFSA-N 304.437 4.888 30 20 DJED C=CCC1(C(=O)N[C@H]2CCOC3(CCCCC3)C2)CCCCC1 450154591 CXOYGEVAMRCISB-KRWDZBQOSA-N 319.489 4.511 30 20 DJED Cc1cc(C)c(C#N)c(N[C@H](C)c2ccccc2C(F)(F)F)n1 462888906 PXWAJARYPTZVJF-GFCCVEGCSA-N 319.330 4.762 30 20 DJED C=CC[C@H](CC)NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 467688311 LCBBXOXJBNCGGS-JTQLQIEISA-N 311.212 4.559 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)[C@H](CC)c1ccccc1 468355983 JXZJSUDEKCLZMV-QGZVFWFLSA-N 321.424 4.512 30 20 DJED Cc1cc(Cl)ccc1NC(=O)C[C@@H](CC#N)c1ccccc1 474417247 UOIDYJYYNBDVPV-OAHLLOKOSA-N 312.800 4.675 30 20 DJED C=C(C)CN(C)C(=O)Nc1c(F)cccc1Oc1ccccc1 477447978 OBWSIAWHURWXEA-UHFFFAOYSA-N 314.360 4.658 30 20 DJED C=CCOc1ccccc1CN[C@H](CC)c1cc(F)ccc1F 482894274 SEPNMCCAOLDRRQ-GOSISDBHSA-N 317.379 4.771 30 20 DJED CN(CCCC#N)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 482972603 BOUYORCXIITBFQ-GOSISDBHSA-N 316.807 4.804 30 20 DJED C=CCC1(C(=O)Nc2ccc(Br)cc2CC)CCC1 485735209 WZLUJWOXTPHYDM-UHFFFAOYSA-N 322.246 4.696 30 20 DJED C=CC[C@H](C)N[C@@H](c1ccc(Br)cc1)c1ccco1 498795297 OETJGYXSRAJKTA-LRDDRELGSA-N 320.230 4.686 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(F)cc1OC(C)(C)C 498828040 SVMVIANZQJYOPB-UHFFFAOYSA-N 305.393 4.710 30 20 DJED C=CCN(CC=C)C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 509531404 CTAIWJGMUPEXTQ-HNNXBMFYSA-N 318.486 4.632 30 20 DJED CC(C)(C)[C@@H](NCc1ccc(C#N)cc1)c1ccc(F)cc1F 532075103 UBMUIWPFOGUTBM-SFHVURJKSA-N 314.379 4.713 30 20 DJED C=CCC[C@@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1ccccc1 540151084 NWBOANPGLVZSDR-MAUKXSAKSA-N 309.409 4.773 30 20 DJED C=CCC[C@@H](NCCc1cc(C(F)(F)F)ccn1)c1ccco1 550882425 NJUSQBDYGVRSES-OAHLLOKOSA-N 324.346 4.533 30 20 DJED N#Cc1ccc(CN2CC[C@H](C(F)(F)F)c3ccccc32)cc1 556909607 IGRQCNKHNGURMO-INIZCTEOSA-N 316.326 4.614 30 20 DJED Cc1nc(-c2ccc([C@H](C)NC[C@@H](C)CCC#N)cc2)cs1 602512177 RGOHSASVDKGVDC-KBPBESRZSA-N 313.470 4.709 30 20 DJED C=CC[C@H](C)NC(=O)N(CC1CCC1)[C@H](C)c1ccccc1 607184362 ZYULAAQHUQGKDB-JKSUJKDBSA-N 300.446 4.524 30 20 DJED CC(C)OCc1ccc(N[C@H]2CCCc3cc(C#N)ccc32)cc1 611469069 VEFVRVNVVSCANN-NRFANRHFSA-N 320.436 4.973 30 20 DJED C=C(CNCc1csc(-c2ccc(F)cc2)n1)c1ccccc1 620756523 HYFGPKFLDUWQOI-UHFFFAOYSA-N 324.424 4.752 30 20 DJED CC(Cc1cccs1)=NNc1ccc(Br)cc1 729635447 UTQQALZUMPMXTI-UHFFFAOYSA-N 309.232 4.541 30 20 DJED N#C[C@@H](NC(=O)C=C1CCCCC1)c1c(Cl)cccc1Cl 733259798 LHBVEBWFXAIEPF-CQSZACIVSA-N 323.223 4.565 30 20 DJED COc1ccc(/C=C/C(=O)c2sccc2C)cc1OC(F)F 733749259 USJMXPRMDOFXPN-HWKANZROSA-N 324.348 4.563 30 20 DJED CCc1ccc(/C=C/C(=O)c2c[nH]c3ccc(OC)cc23)s1 734306906 IOVGTZHSOBDQJX-VQHVLOKHSA-N 311.406 4.697 30 20 DJED CC(=NNc1cccc(C(F)(F)F)n1)c1cccc(Cl)c1 739421170 FKARZPHGLRCLII-UHFFFAOYSA-N 313.710 4.590 30 20 DJED CCOc1ccc(/C=C2\C(=O)c3ccsc3S[C@H]2C)cc1 742435888 BFHLAUDOELIULZ-SAIXKJTDSA-N 316.447 4.907 30 20 DJED CC(C)(C#N)CCCN1CCC[C@H]1COc1ccc(Cl)cc1 746655750 QDICBBLKJQDFMY-INIZCTEOSA-N 320.864 4.513 30 20 DJED CCc1ccc(C(=O)/C=C/c2cc3cccc(OC)c3o2)s1 747201256 YOIQOVFYHYBLCZ-VQHVLOKHSA-N 312.390 4.961 30 20 DJED Cc1ccc(C(=O)/C=C/C=C\c2ccccc2[N+](=O)[O-])c(C)c1 750899213 ADVPYQRFEFUFBQ-KHPAHMTISA-N 307.349 4.664 30 20 DJED N#CCCCCOC(=O)CCCc1cc(Cl)sc1Cl 756287893 RDXZRETXACPIHH-UHFFFAOYSA-N 320.241 4.615 30 20 DJED C=CC[C@@H](NC(=O)[C@@H](CC)C1CCC(C)CC1)c1ccncc1 763481482 WKILAGWBCXSVBQ-YVZJPGBNSA-N 314.473 4.668 30 20 DJED C=CC[C@H](N[C@H]1C[C@H](C)Sc2sccc21)c1ccncc1 766017840 FBCMXDIEAYOQNS-RCBQFDQVSA-N 316.495 4.976 30 20 DJED CC(=NNc1ccccc1C(F)(F)F)c1ccc(C)cc1O 767027376 AKECJEZDMVPSOG-UHFFFAOYSA-N 308.303 4.556 30 20 DJED CC1(C)C(=NNc2cc(C#N)cc(Cl)n2)C[C@@H]1c1ccccc1 768382538 UPGCVZIRNNYHRS-CQSZACIVSA-N 324.815 4.588 30 20 DJED O=C(/C=C/c1cccc(-c2cccnc2)c1)c1cc(F)ccc1F 768492511 HLPUXKPWADWCFG-RMKNXTFCSA-N 321.326 4.923 30 20 DJED C[C@H](CC(=O)OCCCCC(C)(C)C#N)c1ccc(F)cc1 768692142 DKJOJISVEKLTBB-CQSZACIVSA-N 305.393 4.583 30 20 DJED CCn1nc(/C=C\C(=O)c2ccc(Cl)s2)c2ccccc21 769744150 UTOUTDJQEHIUAF-FPLPWBNLSA-N 316.813 4.667 30 20 DJED CC[C@H](C#N)Oc1cccc(CNC2CCCCCCC2)c1 772983421 HTOVNEBBQRWEPD-GOSISDBHSA-N 300.446 4.570 30 20 DJED C#CC[C@@H](N[C@@H](CCC)c1cccc([N+](=O)[O-])c1)c1ccccc1 773105614 IFBQRJSIKWIAKN-UXHICEINSA-N 322.408 4.790 30 20 DJED CC(C)c1ccc(N(C)C(=O)c2ccc(C#N)c(Cl)c2)cc1 777742540 JXZRFABMVCLNDO-UHFFFAOYSA-N 312.800 4.612 30 20 DJED FC(F)(F)c1ccccc1ON=Cc1cc2ccccc2[nH]1 788436727 FMQPZLMVTMLTRQ-UHFFFAOYSA-N 304.271 4.600 30 20 DJED C#CC[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 795812823 SLYINOOCIDOMND-YADHBBJMSA-N 314.432 4.680 30 20 DJED CCCC[C@@H](C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 800385944 FTGKYZZDXRUAQX-PWSUYJOCSA-N 320.845 4.952 30 20 DJED CC(/C=C\C(=O)c1cc2c(C)nn(C)c2s1)=C/c1ccccc1 806579013 RPOJWAQULXWFHY-ZRQQEUPBSA-N 322.433 4.786 30 20 DJED O=C1/C(=C\c2ccccc2F)CC/C1=C\c1cccc([N+](=O)[O-])c1 818470413 NPFYFCUGLTWMTK-HDVIWIBHSA-N 323.323 4.564 30 20 DJED CC(C)(C#N)c1ccccc1CSCCC1SCCS1 853797486 UFUQPUHOVGPPJY-UHFFFAOYSA-N 323.552 4.917 30 20 DJED C=C[C@@](C)(CC)C(=O)N1CCC(c2ccnc3ccccc23)CC1 854756983 CFVSLTFAUMYZEK-NRFANRHFSA-N 322.452 4.543 30 20 DJED CCCCCCCCCC(=O)Nc1cccc(NC(=O)NC)c1 889388349 IFLOWBHLUGCNAR-UHFFFAOYSA-N 319.449 4.517 30 20 DJED CCOc1cccc2cc(C(=O)/C=C\c3cccc(OC)c3)oc12 916130127 IXYHZBPVOUVDFP-KHPPLWFESA-N 322.360 4.736 30 20 DJED CC(=NNc1ncc(Cl)cc1Cl)c1ccc(F)c(F)c1 916316754 LCHPDTOWRUTWRL-UHFFFAOYSA-N 316.138 4.503 30 20 DJED CC(C)=C[C@@H]1[C@@H](C(=O)[C@H](C#N)c2ccc3ccccc3n2)C1(C)C 916849126 PMFNBDNOJSYOIK-MDZRGWNJSA-N 318.420 4.649 30 20 DJED CCCCCCCCCC(=O)N1CCC[C@@H]1c1cc(C)no1 917172795 BIZVODGVYCGXMZ-MRXNPFEDSA-N 306.450 4.787 30 20 DJED O=C1/C(=C\c2cc(Cl)cc(Cl)c2)Cc2c(O)cccc21 917518537 BTGYQZNCWMGEIU-WMZJFQQLSA-N 305.160 4.521 30 20 DJED Cc1cccnc1CNc1ccc(Oc2ccccc2)c(C#N)c1 1116674695 FKSMCFQAPGVMJJ-UHFFFAOYSA-N 315.376 4.666 30 20 DJED Cc1c(C#N)cccc1C(=O)N1CCC[C@H]1CCC1CCCCC1 1127117055 FTBBVTUGDGJCFC-IBGZPJMESA-N 324.468 4.832 30 20 DJED CN(C(=O)C1(C#N)CCCCC1)C1CC(C)(C)CC(C)(C)C1 1130934956 AOSZUNDULXSKHM-UHFFFAOYSA-N 304.478 4.524 30 20 DJED Cc1ccc([C@H]2CCN(Cc3ccc(Cl)cc3C#N)C2)c(C)c1 1169979174 KMZUYBMYAIKYIV-KRWDZBQOSA-N 324.855 4.818 30 20 DJED CCCCN(C(=O)Nc1sccc1C#N)C1CCCCC1 1207293192 MWXUNFHGXURBCA-UHFFFAOYSA-N 305.447 4.586 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)CCCC(C)(C)C 1293649000 KNZQERFNHLMDTE-UHFFFAOYSA-N 301.434 4.535 30 20 DJED CC(C)(C)ON=C(Cc1ccc(F)cc1Cl)c1ccoc1 1324476673 XRSANPFKTRDKDC-UHFFFAOYSA-N 309.768 4.834 30 20 DJED C=C(C)CCC(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 1335821424 YJADLYVBWLJAOT-UHFFFAOYSA-N 320.436 4.596 30 20 DJED Cc1ccc2c(Cl)c(C(=O)O[C@@H]3CC[C@@H](C#N)C3)sc2c1 1343332198 SSNXWZZEZSZTMM-GHMZBOCLSA-N 319.813 4.712 30 20 DJED C[C@@H](NC(=O)CC(C)(C)C1CCCCC1)c1cccc(C#N)c1 1439248155 XBMHVHVFDUQMCT-OAHLLOKOSA-N 312.457 4.732 30 20 DJED Cc1cc(Sc2cc(C3CC3)nc(C3CC3)n2)ccc1C#N 1458442545 MQDDEPJROHLDHN-UHFFFAOYSA-N 307.422 4.563 30 20 DJED N#Cc1cc(NC(=O)c2ccc(C(F)F)cc2F)ccc1Cl 1525220048 QCZBWCRUTGUIMJ-UHFFFAOYSA-N 324.689 4.541 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)CC1CCCCCC1 1543963514 YGDRDCYUFBJVLD-UHFFFAOYSA-N 313.445 4.679 30 20 DJED C[C@@H]1[C@@H](CNc2c(Br)cccc2C#N)CCC[C@H]1C 1612321868 KTUDXJGEOKYSSB-MBNYWOFBSA-N 321.262 4.805 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2NC1CCC(c2ccccc2)CC1 1621307445 LYVZMRPCRXPQIK-ZNIKRAEXSA-N 316.448 4.862 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)Nc1cc(F)cc(C#N)c1 1624288014 XHHFCCRYDRAMAL-HNNXBMFYSA-N 302.393 4.632 30 20 DJED Cc1cc(C#N)cc(NC(=O)NCC2(C)CCC(C)(C)CC2)c1 1625601687 JRXGBCYPWWJYEG-UHFFFAOYSA-N 313.445 4.595 30 20 DJED Cc1nc(NCc2c(C)oc3ccccc23)c(Cl)cc1C#N 1639746437 XHJOARQMPWEJPX-UHFFFAOYSA-N 311.772 4.582 30 20 DJED Cc1ccc2ncc(C#N)c(OCc3ccc(Cl)cc3C)c2c1 1641155835 SIOMBWVLFRMIIZ-UHFFFAOYSA-N 322.795 4.956 30 20 DJED C[C@@H](Cc1cccc(F)c1)N(C)Cc1ccccc1C(C)(C)C#N 1654685035 LKCHYTLOCDJGGC-INIZCTEOSA-N 324.443 4.690 30 20 DJED C=C(CNC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 1658161266 ZBZYYFQWKPZGOY-UHFFFAOYSA-N 321.207 4.828 30 20 DJED C[C@]1(C#N)CCCN(CCCc2c(Cl)cccc2Cl)C1 1659190885 OHIJLFZSZHAJGU-MRXNPFEDSA-N 311.256 4.552 30 20 DJED CC(CCc1ccc(Cl)s1)=NNc1ccccc1C(=O)O 1776030270 DGDUMWUHVZIZQT-UHFFFAOYSA-N 322.817 4.520 30 20 DJED N#Cc1ccc(NC(=O)/C=C/c2ccc(Cl)s2)cc1Cl 12832417 OUEHZJNYDMXKBQ-GQCTYLIASA-N 323.204 4.578 30 20 DJED CC(C)Sc1ccccc1C(=O)N[C@@H](C)c1ccc(C#N)cc1 45418074 LNDKUZZIRSOEOE-AWEZNQCLSA-N 324.449 4.550 30 20 DJED N#Cc1cccc(OCc2ccc(-c3ccccc3C#N)cc2)c1 58557230 JLFAVPXABWBZIC-UHFFFAOYSA-N 310.356 4.676 30 20 DJED N#Cc1cccc(CNCc2ccc(-c3ccccc3F)s2)c1 66972003 WEYJJKLWCPZFBF-UHFFFAOYSA-N 322.408 4.716 30 20 DJED CC(C)c1cccc(NC(=O)c2cccc(SCC#N)c2)c1 79386539 LQYBAWRGQHUQLY-UHFFFAOYSA-N 310.422 4.678 30 20 DJED CCSc1ccc([C@H](C)NCc2cc(C#N)ccc2F)cc1 90117784 PFIGAMAKKOGEHJ-ZDUSSCGKSA-N 314.429 4.660 30 20 DJED C=C[C@@H](CC(=O)N(C)c1nc2ccccc2s1)c1ccccc1 121348597 OXNXUBPHNSOWCF-AWEZNQCLSA-N 322.433 4.619 30 20 DJED C[C@H]1C[C@H]1c1ccc(CN(CC(C)(C)CCC#N)C2CC2)o1 129865259 BYEVSUUGIJJOHL-WMLDXEAASA-N 300.446 4.697 30 20 DJED C=CCC[C@@H](NCc1csc([C@@H](C)OC)n1)c1ccccc1 160047674 BPEDWPGDLDIKMU-RHSMWYFYSA-N 316.470 4.648 30 20 DJED C[C@@H](N[C@H]1CCSc2ccc(F)cc21)c1ccc(C#N)cc1 192737870 BMZPTLYEXXSECS-PXAZEXFGSA-N 312.413 4.585 30 20 DJED CC(C)(C#N)CCCNc1ccc(OCC(F)(F)F)c(F)c1 281785284 FDDKSCNLHKBVOP-UHFFFAOYSA-N 318.314 4.509 30 20 DJED C[C@@H]1CCC[C@@H](C(O)=Nc2csc(-c3ccccn3)n2)C1 329532270 JVTSQKPAOMLULA-VXGBXAGGSA-N 301.415 4.619 30 20 DJED C[C@H](C#N)N(CCCCCF)Cc1cccc(C(F)(F)F)c1 425534864 MIGSNQRLFNTHAC-CYBMUJFWSA-N 316.342 4.559 30 20 DJED Cc1ccccc1[C@@H](CC(F)(F)F)NCc1cc(C#N)cs1 444011215 RRRHNRALJZUWDG-OAHLLOKOSA-N 324.371 4.712 30 20 DJED Cc1ccc(OC2CCN(CCCCC(C)(C)C#N)CC2)cc1 444655771 XVJJBZWOHJGQPM-UHFFFAOYSA-N 314.473 4.558 30 20 DJED Cc1oc(-c2ccccc2)c(C(=O)Nc2ccc(C#N)cc2)c1C 445564814 ICUNCQOFIKODHD-UHFFFAOYSA-N 316.360 4.687 30 20 DJED CCCOc1c(CNc2cccc(CC#N)c2)cccc1OCC 449691991 ZKRHMEMFWBBOFJ-UHFFFAOYSA-N 324.424 4.552 30 20 DJED CC#CCCCC(=O)Nc1ccc(Oc2ccccc2)cc1OC 466867157 OEHXEXVPHOPFFO-UHFFFAOYSA-N 323.392 4.620 30 20 DJED CCC1(Cc2ccccc2)CCN([C@H]2CCC[C@H](C#N)C2)CC1 479555159 SGZVSFFUJDBMBJ-PMACEKPBSA-N 310.485 4.804 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccsc1Cl 483263053 CCZHWIHYVKCYEA-CVEARBPZSA-N 316.857 4.673 30 20 DJED Cc1nc(N[C@H](C)c2nc(-c3ccccc3)cs2)ccc1C#N 488084014 QOCWEFHXAVJGAP-CYBMUJFWSA-N 320.421 4.558 30 20 DJED C=CCCC1(C(=O)Nc2cc(Cc3ccccn3)ccc2C)CC1 512820882 LIUJRFDNGQRLTB-UHFFFAOYSA-N 320.436 4.666 30 20 DJED CCOc1ccccc1[C@@H](CC)Nc1ncc(C#N)cc1Cl 513610423 WCPAFXIRAYPKHP-OAHLLOKOSA-N 315.804 4.569 30 20 DJED C[C@H]1CCCCN1Cc1ccccc1CNc1ccc(C#N)cc1 515550442 LUJLDAWUOCLQIP-KRWDZBQOSA-N 319.452 4.545 30 20 DJED N#Cc1cnccc1/C=C/c1csc(-c2ccc(Cl)cc2)n1 556779173 ORFGJENJQVVKBN-ZZXKWVIFSA-N 323.808 4.901 30 20 DJED C=CCC1(C(=O)Nc2ccc(-c3ncco3)cc2C)CCCC1 566462644 WHTPDJSNJHWXRR-UHFFFAOYSA-N 310.397 4.725 30 20 DJED Cc1nc(Oc2ccc(C#N)c3ccccc23)c(Cl)cc1C#N 566869000 POKJNTYLLJHZEF-UHFFFAOYSA-N 319.751 4.732 30 20 DJED C=C[C@H](CC(=O)NC(C)(C)c1ccccc1F)c1ccccc1 579457027 AODMUVLDULLNFC-OAHLLOKOSA-N 311.400 4.537 30 20 DJED C=C(C)COc1cccc(NC(=O)c2cc(Cl)ccc2F)c1 589381993 HPPJETHGMMFOCH-UHFFFAOYSA-N 319.763 4.686 30 20 DJED C#Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2C(C)C)cn1 728811637 DRJBREUVKJWUON-UHFFFAOYSA-N 306.409 4.562 30 20 DJED C=CC[C@@H](C)NC(=O)c1cc(-c2cccs2)nc2ccccc12 735066905 ZHGHMRMERPPVMY-CYBMUJFWSA-N 322.433 4.658 30 20 DJED Cn1cc(C(=O)/C=C\c2nccc3ccccc23)c2ccccc21 740764797 GESONUXJHGYNCS-KHPPLWFESA-N 312.372 4.623 30 20 DJED Cc1ccc2cc(C(=O)/C=C/c3cnc4ccc(C)cn34)oc2c1 754825945 TXASGVYINKONBV-VOTSOKGWSA-N 316.360 4.593 30 20 DJED COc1ccccc1-c1ccc(/C=C\C(=O)c2ccco2)cc1 769771523 PSSMQOHLYDBVGS-RAXLEYEMSA-N 304.345 4.851 30 20 DJED C=CCC[C@H](N[C@@H]1CC[C@H]2SCCS[C@H]12)c1ccccc1 775414489 MVPSXBXRFPKIBA-BSDSXHPESA-N 319.539 4.663 30 20 DJED Cc1oc2ccccc2c1/C=C\C(=O)c1ccc(C#N)c(F)c1 776729548 VSSVAZADXINDMZ-HJWRWDBZSA-N 305.308 4.648 30 20 DJED CC[C@@H](CC(=O)OCCCC(C)(C)C#N)c1ccc(C)cc1 783744989 OPWFTQMFBOCEMU-INIZCTEOSA-N 301.430 4.752 30 20 DJED O=C(/C=C\c1cnc(-c2ccco2)s1)c1cccc(Cl)c1 788100209 VYMOJPQHYVUJRJ-SREVYHEPSA-N 315.781 4.953 30 20 DJED N#C[C@H](C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)c1nc2ccccc2o1 796818602 OXOXQNZIETWJCU-KLHDSHLOSA-N 322.408 4.611 30 20 DJED COc1ccccc1CON=Cc1ccc(Oc2ccccc2)o1 799120707 ZWFFPGXWPMRXOZ-UHFFFAOYSA-N 323.348 4.631 30 20 DJED C[C@@H](C#N)Oc1ccc(-c2nc3ccccc3n2C2CCC2)cc1 844274697 XYYVUIGCUPIBNF-AWEZNQCLSA-N 317.392 4.719 30 20 DJED CC(=NNc1cc(C)ccc1C)c1sccc1Br 915048327 ADIZAYLAABNTKO-UHFFFAOYSA-N 323.259 4.964 30 20 DJED CN(C)c1ccc(/C=C/C(=O)c2ccccc2C(F)(F)F)cc1 916136504 QIXHJGHJWDGRIZ-FMIVXFBMSA-N 319.326 4.668 30 20 DJED COc1ccc(C#N)cc1CN(C)c1ccc(C(C)(C)C)cc1 1167145318 CNUHHVRNLGHEOW-UHFFFAOYSA-N 308.425 4.501 30 20 DJED CC[C@H](OC(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1F 1267527080 PCGAFPAPIIMAQL-INIZCTEOSA-N 317.747 4.659 30 20 DJED CCC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(Cl)c(C#N)c1 1275983442 LTNVIKHEXURRGV-HIFRSBDPSA-N 318.848 4.548 30 20 DJED N#Cc1cccc(OCc2cccc(Br)c2Cl)c1 1307283147 GQAIWAYLWMJWKI-UHFFFAOYSA-N 322.589 4.553 30 20 DJED N#Cc1cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)ccc1Cl 1352797575 KKAXKGNTXUMZMD-BFHYXJOUSA-N 316.832 4.757 30 20 DJED CCC1CCC(N(Cc2ccc(F)cc2C#N)C2CC2)CC1 1459345273 YYGFIQKKIKVYLF-UHFFFAOYSA-N 300.421 4.631 30 20 DJED N#CC[C@@H]1CCCN(Cc2ccc(Sc3ccccc3)cc2)C1 1462431494 ULZXBUBRDKKQBM-KRWDZBQOSA-N 322.477 4.963 30 20 DJED CC1(c2ccccc2)CCC(NCc2cc(C#N)ccc2F)CC1 1462584582 JUCSHYHKBXSBRS-UHFFFAOYSA-N 322.427 4.687 30 20 DJED CCc1ccc([C@@H]2CCCN(Cc3ccc(F)cc3C#N)C2)cc1 1473449364 DSLZZWBSUNCDMC-GOSISDBHSA-N 322.427 4.639 30 20 DJED COc1cccc2c(CN[C@@H](C)c3cccc(C#N)c3)cccc12 1474266005 JIUFUQWMXTVRBU-HNNXBMFYSA-N 316.404 4.571 30 20 DJED Cc1c([C@@H](C)OC(=O)[C@]2(C#N)CC23CCCC3)oc2ccccc12 1522672612 XKEVXZGTYWSDSW-JLTOFOAXSA-N 323.392 4.820 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 1537067547 HYCSHPQJCQJDNH-RARDXLECSA-N 324.468 4.684 30 20 DJED Cc1cc(C#N)ccc1CN(C)Cc1c(Cl)cccc1Cl 1559501513 LOIBKYPLESYOOD-UHFFFAOYSA-N 319.235 4.806 30 20 DJED CC(C)CC(C)(C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1583324331 ROAUVYHRGZPUPT-UHFFFAOYSA-N 316.445 4.746 30 20 DJED CCN(Cc1ccc(C#N)cc1Cl)[C@@H](C)c1ccc(F)cc1 1615229393 JBBSVVTYJOYFSW-ZDUSSCGKSA-N 316.807 4.934 30 20 DJED CC[C@@H](c1ccccc1OC)N(C)CCC1(C#N)CCCCC1 1618280705 KOYJNWJLEDHEOA-SFHVURJKSA-N 314.473 4.942 30 20 DJED CCOc1ccc(Cl)cc1CNc1cccc(C#N)c1C 1658049745 GUPVRMYCFQWYEX-UHFFFAOYSA-N 300.789 4.531 30 20 DJED Cc1cc(CN2CCc3ccc(Cl)cc3[C@H](C)C2)ccc1C#N 1658484659 YHVZXQIVCAGLAE-OAHLLOKOSA-N 324.855 4.682 30 20 DJED CCc1ccc(/C=C2/CCCc3cc(C(=O)O)ccc3C2=O)cc1 1776968903 KOGPOTAYVSMGMQ-ATVHPVEESA-N 320.388 4.550 30 20 DJED Cc1c(C(=O)Nc2ccc(CC#N)cc2)oc2c(Cl)cccc12 16495782 CENDJHMHSQMXAF-UHFFFAOYSA-N 324.767 4.713 30 20 DJED C[C@H](C#N)Oc1ccc(/C=C/C(=O)c2ccc(Cl)s2)cc1 57737237 ZNRVFYXTOHBGSU-TZOMUSMUSA-N 317.797 4.588 30 20 DJED N#Cc1cccc(CSc2nc3cc(Cl)ccc3o2)c1 60382837 XNNXRXCNUOYAJV-UHFFFAOYSA-N 300.770 4.645 30 20 DJED CCN(CCC#N)C(=O)Nc1ccccc1Oc1ccc(C)cc1 78464479 YPXYTWKUOOKBNY-UHFFFAOYSA-N 323.396 4.555 30 20 DJED CC[C@@H](NCc1ccc(F)cc1C#N)c1ccc(Cl)cc1 103139570 RMVMWYBTPHWTMO-QGZVFWFLSA-N 302.780 4.592 30 20 DJED Cc1cc(C)cc([C@@H](C)NCc2ccc(N(C)CCC#N)cc2)c1 107319982 MVKSNFSAHIMXNE-GOSISDBHSA-N 321.468 4.504 30 20 DJED Cc1cc(Oc2cccc(F)c2C#N)ccc1Br 157875168 OOJJHKGMEJEOLN-UHFFFAOYSA-N 306.134 4.561 30 20 DJED N#CCCCCSCc1ccc(Br)cc1F 161050195 FLAFNFMIAKUIJI-UHFFFAOYSA-N 302.212 4.515 30 20 DJED Cc1nnc(SCc2ccc(Cl)c(Cl)c2)c(C#N)c1C 193051546 NJWYRNOLMASKKG-UHFFFAOYSA-N 324.236 4.564 30 20 DJED COc1cc(/C=C\C(=O)c2ccc(C)c(C)c2)ccc1SC 214933520 XZUJDGANUNIHNR-TWGQIWQCSA-N 312.434 4.930 30 20 DJED CC[C@@H](C)Sc1ccc(NC(=O)CC(C)(C)C#N)c(C)c1 278191109 DNOSCKHIYLRGGL-CYBMUJFWSA-N 304.459 4.764 30 20 DJED C=CCC[C@H](N[C@@H](C)c1ccc(OC)c(O)c1)c1ccccc1 353250716 GGPZSOORWXHPLQ-YJBOKZPZSA-N 311.425 4.759 30 20 DJED CC(C)(C)C[C@H](NC(=O)CCCC#N)c1ccc(Cl)cc1 360291264 URYWBMKRIBNWAS-HNNXBMFYSA-N 306.837 4.627 30 20 DJED C[C@H](Nc1ccc(Oc2ccccc2)c(C#N)c1)c1ccccn1 426990956 OLYLRTKIORUCGN-HNNXBMFYSA-N 315.376 4.919 30 20 DJED Cc1cc(COc2cccc(-c3nccs3)c2)ccc1C#N 447793539 CWFUZNAITUUFQG-UHFFFAOYSA-N 306.390 4.569 30 20 DJED CC1(C#N)CCC(N[C@@H](c2ccc(F)cc2)C2CCC2)CC1 449126177 LJBBNLAOWMQQLY-JLAWEPINSA-N 300.421 4.729 30 20 DJED C[C@H](CC1CCCC1)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 464956660 WJPCQCTXQGKYGT-AHRSYUTCSA-N 324.468 4.501 30 20 DJED CC#CCCCC(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C 466440272 FQVMNZDDMPHNAC-LBPRGKRZSA-N 324.251 4.633 30 20 DJED C=CCCCC(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 467839561 OARKOZMEBZNICM-JOCQHMNTSA-N 312.240 4.712 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cscc1C 486838699 JKDLXOLCWKCTOS-UHFFFAOYSA-N 311.859 4.600 30 20 DJED CN(Cc1ccc(Cl)c(Cl)c1)Cc1ccc(F)cc1C#N 489576997 KMWOCOUMGODZDC-UHFFFAOYSA-N 323.198 4.636 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1cc2cccc(C)c2o1 493776659 PNMRXJRSMBCFMD-UHFFFAOYSA-N 311.406 4.631 30 20 DJED N#CCCN(Cc1ccc(-c2ccccc2Cl)o1)CC1CC1 513733888 XJEYDURVUCFIRR-UHFFFAOYSA-N 314.816 4.726 30 20 DJED C=CC1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 520329056 XXSDQMUDOUFNLM-UHFFFAOYSA-N 317.860 4.576 30 20 DJED N#Cc1ccc(CSCc2ncc(Cl)cc2Cl)cc1 537422682 OXFANXKWVDMNDP-UHFFFAOYSA-N 309.221 4.693 30 20 DJED C=C(C)C[C@@H](C)c1nc(Cc2c[nH]c3ccc(Cl)cc23)no1 570198994 JMOXLBIJEGJYOT-LLVKDONJSA-N 315.804 4.865 30 20 DJED N#Cc1ccc(N(C(=O)c2cccc(C3CC3)c2)C2CCC2)cc1 598884813 GNOCVMKSNMIDBY-UHFFFAOYSA-N 316.404 4.635 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc(OC(C)C)cc1 606939232 AMNKUFMFWSGUJT-UHFFFAOYSA-N 304.434 4.684 30 20 DJED N#Cc1ccccc1SCc1csc(Cc2ccccc2)n1 610206558 JPLNMOZAZLIPBV-UHFFFAOYSA-N 322.458 4.898 30 20 DJED CCCc1ccc([C@@H](NCc2cccc(C#N)c2)C(C)C)cc1 611568172 PAXOSASQAFWSOI-NRFANRHFSA-N 306.453 4.998 30 20 DJED Cc1cc(C#N)ccc1COc1ccc(Oc2nccs2)cc1 614392146 DXJTWWZGULNCBN-UHFFFAOYSA-N 322.389 4.695 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2NC1CC(c2cccc(Cl)c2)C1 618808086 YZSJLRZRRYUCHJ-NLPFYKDJSA-N 322.839 4.735 30 20 DJED O=C(/C=C/c1cccc(F)c1F)c1ccc(Br)cc1 730732943 SANQWZBVBXDCFQ-RMKNXTFCSA-N 323.136 4.623 30 20 DJED C=CCN(CC1CCCCC1)C(=S)N[C@@H]1CCCC[C@@H]1C 732625975 WSAXXTHAVLAENG-DOTOQJQBSA-N 308.535 4.508 30 20 DJED CCCCCCCC(=O)N1C[C@H](c2ccccc2C)OC[C@@H]1C 741990577 PKOOACQPAJJIHU-PKOBYXMFSA-N 317.473 4.644 30 20 DJED COCc1cccc(/C=C\C(=O)c2ccc(SC)c(F)c2)c1 742434677 MQQODKIGKFDFCI-VURMDHGXSA-N 316.397 4.590 30 20 DJED C[C@@H]1C[C@@H](N[C@H](CCC#N)c2ccccc2)c2c(O)ccc(F)c21 756767962 HLCKTSLFAVTNRK-KBRIMQKVSA-N 324.399 4.714 30 20 DJED C(=NOC1CCOCC1)c1c2ccccc2cc2ccccc12 774453136 OUSFYZIJVPFBSG-UHFFFAOYSA-N 305.377 4.523 30 20 DJED C[C@@H](OC(=O)/C=C\c1ccccc1C#N)c1ccccc1Cl 775081636 FTALBQGWHSJVJU-BSYHEUMXSA-N 311.768 4.529 30 20 DJED C#CCCCCCC(=O)N1CCCC[C@@H]1c1ccc(F)cc1F 779988489 OVCQRWYDVFUWIJ-GOSISDBHSA-N 319.395 4.602 30 20 DJED CC(CCCCN(C)C)=NNc1ccc(Cl)c(Cl)c1 781124187 YVCVKZGZGJNHCR-UHFFFAOYSA-N 302.249 4.513 30 20 DJED C#CCC1(C(=O)N2CCC(c3ccccc3C)CC2)CCCCC1 788204523 GZRPYPYXMFWKJY-UHFFFAOYSA-N 323.480 4.675 30 20 DJED C[C@H]1C[C@@H](C)C[C@H](C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)C1 797566615 OVPIRXZAYNTTLW-DGAVXFQQSA-N 318.486 4.689 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N1CC[C@@H](OC)C[C@@H]1C 799423504 ZAWGMVMYRMJNDD-OKZBNKHCSA-N 311.510 4.789 30 20 DJED CCOc1c(Cl)cccc1/C=C\C(=O)c1ccccc1C#N 799499623 XXOBEJZZTBBJKE-KHPPLWFESA-N 311.768 4.506 30 20 DJED C#CCCCCN[C@@H](CC)c1cc(Cl)cc(Cl)c1O 806146983 FKLWAIQWCCRCBL-AWEZNQCLSA-N 300.229 4.543 30 20 DJED FC(F)(F)c1cscc1C=NNc1cccc2cnccc12 811642068 YCGUSKLUFSCEFH-UHFFFAOYSA-N 321.327 4.761 30 20 DJED CC[C@@H](c1ccc(F)cc1)[S@](=O)CCCCC1(C#N)CCC1 899392183 QOPCQIULTWXROP-HTAPYJJXSA-N 321.461 4.890 30 20 DJED C[C@@H](Cc1ccc(C#N)cc1)c1nc(C2CCCCCC2)no1 904688139 PEIMDEXYPQPKCF-AWEZNQCLSA-N 309.413 4.725 30 20 DJED CCn1cc(C(=O)/C=C\c2cccc(Oc3ccccc3)c2)cn1 920991847 PSXCXHAKCHPVIA-QXMHVHEDSA-N 318.376 4.591 30 20 DJED CC[C@H](Cc1ccc(C)cc1)N(CC)CCc1ccc(C#N)cc1 1167487405 LLJOVECSMXUDSP-JOCHJYFZSA-N 320.480 4.752 30 20 DJED N#Cc1c(F)cccc1CN1CC2(CCCC2)c2cccc(F)c21 1181533797 BLIITSTWXWBLOU-UHFFFAOYSA-N 324.374 4.668 30 20 DJED Cc1ccc(C[C@H](C#N)S[C@@H]2CCc3ccccc3C2)cc1 1189702374 MFLPGZKIZZZHPE-WOJBJXKFSA-N 307.462 4.720 30 20 DJED C[C@H]1CC[C@@H](C)N(C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1205529054 XYRZKNFGHSDQNS-NWDGAFQWSA-N 319.474 4.570 30 20 DJED Cc1cccc([C@@H](C)N2CCC(c3ccc(C#N)cc3)CC2)c1 1308113774 IEBDLMYQPNXQGT-QGZVFWFLSA-N 304.437 4.807 30 20 DJED C[C@@H](CCC#N)CN(Cc1ccc(F)cc1)C1CCCCC1 1308634596 MUSQRLADSJJOSE-INIZCTEOSA-N 302.437 4.900 30 20 DJED CCSc1ccc([C@@H](C)Nc2ccc(OCC#N)cc2)cc1 1319973790 JYKBXAIXSFTMHY-CQSZACIVSA-N 312.438 4.874 30 20 DJED N#Cc1ccc(C(=O)OCc2ccc(-c3ccccc3)cc2)s1 1351418874 DWCQJVCPCZAUMM-UHFFFAOYSA-N 319.385 4.644 30 20 DJED CC(C)(C)CN(Cc1ccccc1)C(=O)[C@@]1(C#N)CC12CCCC2 1353083854 SWPJQBRJMNOCBK-NRFANRHFSA-N 324.468 4.535 30 20 DJED CC(C)[C@@H]1CCc2c(sc(NC(=O)CC3(C)CC3)c2C#N)C1 1436527784 YZWZCJIZQOCOKU-GFCCVEGCSA-N 316.470 4.509 30 20 DJED N#Cc1cc(C(=O)Nc2cccc(C3CCC3)c2)ccc1Cl 1436533450 HCNLFXVZOGFVIB-UHFFFAOYSA-N 310.784 4.731 30 20 DJED CC(C)(C#N)c1ccccc1COc1ccc(Cl)cc1F 1458835377 NIYUXBRVZZAFEX-UHFFFAOYSA-N 303.764 4.859 30 20 DJED Cc1ccc(C[C@@H](C#N)SCc2cccc(F)c2F)cc1 1459255103 XMVJVKYBRXVTMV-HNNXBMFYSA-N 303.377 4.641 30 20 DJED CC(C)(C)Oc1cccc(NC2CC(C#N)(c3ccccc3)C2)c1 1474726841 VJXCJWMFKZZMSK-UHFFFAOYSA-N 320.436 4.900 30 20 DJED CCN(C(=O)C1C[C@H]2CCC[C@H](C1)C2)[C@@H](C)c1ccc(C#N)cc1 1525554139 DUJMHWXHBAUXHL-SZMVWBNQSA-N 324.468 4.684 30 20 DJED CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 1528992949 NZICEQNQBLMDQR-DNVCBOLYSA-N 320.392 4.725 30 20 DJED CC(C)(C)c1csc(NC(=O)c2coc3ccccc23)c1C#N 1534606849 TYEIQWMDNDIQRL-UHFFFAOYSA-N 324.405 4.916 30 20 DJED CCCN(Cc1ccc(F)cc1C#N)c1ccc(Cl)cc1 1559621897 MJDHAZURSPSRAO-UHFFFAOYSA-N 302.780 4.767 30 20 DJED C[C@H]1C[C@H](C(=O)Nc2scc(C(C)(C)C)c2C#N)CC[C@H]1C 1584034853 ZLVSYEVDTODUPI-FRRDWIJNSA-N 318.486 4.928 30 20 DJED C[C@@H]1CCC[C@H](CSc2nc(C(F)(F)F)ccc2C#N)C1 1613723177 BDAHDBQBZABQSP-MNOVXSKESA-N 314.376 4.890 30 20 DJED Cc1ccccc1[C@H](CC(C)C)NC(=O)c1ccccc1CC#N 1627849558 NASZZNCTZUROSC-FQEVSTJZSA-N 320.436 4.578 30 20 DJED CC(C)(C)Oc1cccc(CSc2ccc(C#N)cc2F)n1 1640938982 ILSKZCIMAQVCMU-UHFFFAOYSA-N 316.401 4.562 30 20 DJED C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CCC1(C#N)CCCCC1 1644646277 SPAWQUSLBFHBKM-SJLPKXTDSA-N 314.448 4.868 30 20 DJED N#C[C@H](Sc1nc(-c2cccs2)nc2ccccc12)C1CC1 1652376803 LPRHXGWRFBNSLU-HNNXBMFYSA-N 323.446 4.753 30 20 DJED C=C(Cl)CNC(=O)N[C@H](c1ccc(CCCC)cc1)C(C)C 1666579700 GBPWINVDVGHTAE-KRWDZBQOSA-N 322.880 4.778 30 20 DJED CCc1c(C(C)=NNc2ccccc2C(=O)O)oc2ccccc12 1776030090 XPMJRYGKGBDORL-UHFFFAOYSA-N 322.364 4.530 30 20 DJED O=C(/C=C/c1ccc(OCC(F)(F)F)cc1)c1cccc(F)c1 72041979 KTFZWCDYRPHGBO-RMKNXTFCSA-N 324.273 4.663 30 20 DJED CC(C)(C#N)CCCCOc1ccc(Cl)c2cccnc12 232520426 OECPLGSCTAQROS-UHFFFAOYSA-N 302.805 4.987 30 20 DJED CC(C)(C#N)CCCC[S@](=O)[C@@H]1CCCc2ccccc21 278341478 UXVNUTOQRLNXTE-UTKZUKDTSA-N 303.471 4.533 30 20 DJED CC(C)c1nnc(C/N=C(/O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)s1 328745372 ACUPQXTZZHOITG-MELADBBJSA-N 321.490 4.725 30 20 DJED C[C@H](CCC#N)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 411615612 RTHVWGCBQGRDRQ-XPKDYRNWSA-N 310.363 4.623 30 20 DJED C=CCCC[C@H](C)NC(=O)Nc1cc(-c2cccnc2)ccc1C 432816176 NOZRXBRRULAFHE-INIZCTEOSA-N 323.440 4.923 30 20 DJED C=CCC1(c2nc([C@@H](OCC)c3ccccc3)no2)CCCC1 453166219 NQAPFJKCLUTOKH-INIZCTEOSA-N 312.413 4.583 30 20 DJED CC(C)[C@H]1CCc2ccccc2[C@H]1NCc1cc(C#N)cs1 462541728 HDYWUEJRQNQZGK-MJGOQNOKSA-N 310.466 4.669 30 20 DJED C[C@@H](Nc1ccc(Oc2ccccc2)c(C#N)c1)C1CCOCC1 474921117 AIBDWYCDUWIJMJ-OAHLLOKOSA-N 322.408 4.578 30 20 DJED CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1SCCC#N 475776270 SCALIZCLVNWDDU-HUUCEWRRSA-N 316.470 4.847 30 20 DJED C=CCn1cccc1C(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 489083291 YMQOYUROMGYQSM-HNNXBMFYSA-N 322.408 4.644 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@H]1CCCc1ccccc1 489271178 QBNNDCYIEZUZAS-HXUWFJFHSA-N 311.469 4.769 30 20 DJED CC(C)[C@H](NCc1ccc(F)cc1C#N)c1ccc(Cl)cc1 489601486 CBHZLHUBKGOWHE-SFHVURJKSA-N 316.807 4.838 30 20 DJED C=C(C)CCc1noc([C@H](C)CSCc2ccccc2)n1 508596297 RUQDUZSIKACFAS-CQSZACIVSA-N 302.443 4.615 30 20 DJED Cc1sc(NC(=O)C[C@H](C)C2CCCCC2)c(C#N)c1C 508916614 HPDIPKRBOFFWOW-NSHDSACASA-N 304.459 4.782 30 20 DJED CCN(C(=O)C[C@H](c1ccccc1)C(C)C)c1ccc(C#N)cc1 510357172 WKGWOQHRWMZGAD-FQEVSTJZSA-N 320.436 4.741 30 20 DJED N#Cc1cccc(CNc2ccc3nc(C(F)F)sc3c2)c1 513038286 XNUFFZUZMIUMSR-UHFFFAOYSA-N 315.348 4.718 30 20 DJED CCSc1ccc([C@H](C)Nc2ccc(Cl)c(C#N)n2)cc1 524684562 OSIMSCOWXUYLDD-NSHDSACASA-N 317.845 4.892 30 20 DJED N#CCCCOc1cccc(CNc2cncc3ccccc23)c1 536163329 OHPMDSYUZQGAAS-UHFFFAOYSA-N 317.392 4.529 30 20 DJED C=CCCOCCCCC(=O)Nc1cc(Cl)ccc1Cl 538416172 VMPGPYSPMASDGO-UHFFFAOYSA-N 316.228 4.695 30 20 DJED C=CC[C@H](C)N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C 540174738 WGOABCBXJSXYCY-STQMWFEESA-N 316.470 4.742 30 20 DJED Cc1c(NCc2ccc(CC#N)cc2)cccc1C(F)(F)F 542222451 XFCSAMSZOVVVQL-UHFFFAOYSA-N 304.315 4.692 30 20 DJED C=CCC[C@H](CCC)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 543594779 JJHAPJPYWYJQRE-OTWHNJEPSA-N 305.437 4.770 30 20 DJED Cc1c(C(=O)N[C@@](C)(C#N)C2CCCCC2)oc2c(C)cccc12 583310955 RDVLABOWTUXITN-FQEVSTJZSA-N 324.424 4.642 30 20 DJED C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)CCCC(C)(C)C#N 595514795 JUBZPLUUIPXIAP-LBPRGKRZSA-N 318.852 4.539 30 20 DJED CN(C(=O)CC(C)(C)C1CCCCC1)c1ccc(C#N)cc1F 619517313 OJMLSARBVTZQNT-UHFFFAOYSA-N 316.420 4.657 30 20 DJED C=CCOc1cccc(/C=C/C(=O)c2cn(C)c3ccccc23)c1 726741477 XTXPXPFFNDHWDJ-VAWYXSNFSA-N 317.388 4.639 30 20 DJED O=C1/C(=C/c2ccc(Cl)c(F)c2)CCOc2ccccc21 728442217 ZFYGHZRYLUFBBQ-FMIVXFBMSA-N 302.732 4.528 30 20 DJED O=C(/C=C\c1cccnc1Cl)c1cc(Cl)ccc1Cl 728694891 MDVXZGNBDMVDCD-UTCJRWHESA-N 312.583 4.938 30 20 DJED COc1cccc(/C=C\C(=O)c2oc3ccc(OC)cc3c2C)c1 729151500 SLTRLTGUQYUOAX-CLFYSBASSA-N 322.360 4.655 30 20 DJED Cc1cccc2c1C/C(=C/c1ccc(C(F)(F)F)cc1)C2=O 729151731 WWUWFRXPQDVCNF-LCYFTJDESA-N 302.295 4.836 30 20 DJED C=CCN(C(=O)NCC1CCC(c2ccccc2)CC1)C(C)C 731121772 FXUQCVVAKIWDLL-UHFFFAOYSA-N 314.473 4.566 30 20 DJED O=C(/C=C\c1coc(-c2ccccc2)n1)c1ccc(F)c(F)c1 731835859 SZBRQDUVXHJFEC-CLFYSBASSA-N 311.287 4.516 30 20 DJED CCCCCCCCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 735789671 PNZGFARVNMWRJD-HNNXBMFYSA-N 311.429 4.798 30 20 DJED N#CCCCCOC(=O)C[C@H](Cc1ccccc1)c1ccccc1 744141288 UKXFNUQQKWUXEZ-FQEVSTJZSA-N 321.420 4.640 30 20 DJED COc1cc(/C=C2/Cc3cc(C)ccc3C2=O)ccc1SC 746347361 ZEIKRUCKSYAIQB-DHDCSXOGSA-N 310.418 4.548 30 20 DJED Cc1cnc([C@H](C)/N=C\c2cc(Cl)cc(Cl)c2O)s1 749931242 SGYDXBMWNBWUFJ-RWZDPZJWSA-N 315.225 4.644 30 20 DJED O=C(/C=C\c1ccc(C(F)(F)F)s1)c1ccc(O)c(F)c1 761478147 QDIBEVKRRQUWDJ-DJWKRKHSSA-N 316.275 4.508 30 20 DJED Cc1ccc(C(=O)/C=C/c2nc3ccc(F)cc3s2)s1 761478227 NQTDBUXZKQVMEW-FNORWQNLSA-N 303.383 4.701 30 20 DJED CC(C)[C@@H]1/C(=C\c2ccc3c(c2)ncn3C)C(=O)c2ccccc21 766506708 QGFGISXLFCQVLE-YZILGEIOSA-N 316.404 4.593 30 20 DJED C#CC[C@@H](N[C@@H](CCC)c1ccc(OC)cc1)c1ccccc1 773113149 BUYAFWBPJLRBRX-RTWAWAEBSA-N 307.437 4.891 30 20 DJED C[C@@H](NCc1ccc(C#N)cn1)c1ccc(C2CCCCC2)cc1 783294658 RIVWJTAWVIAPDW-MRXNPFEDSA-N 319.452 4.852 30 20 DJED O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)c1cncs1 787173040 WGINUHOEQYTJAP-DAFODLJHSA-N 317.719 4.711 30 20 DJED COc1ccc2nc(/C=C3\C(=O)c4ccccc4[C@H]3C)sc2c1 809155933 HZMCEHCOWJOWQI-MKVLZVNKSA-N 321.401 4.688 30 20 DJED N#CCCCC(=O)Nc1ccccc1SCc1ccccc1 812836531 KSGCXUBFANGLTA-UHFFFAOYSA-N 310.422 4.611 30 20 DJED O=C(/C=C/c1ccc2oncc2c1)c1cccc(C(F)(F)F)c1 821028498 SSUCPVADXXXVBU-GQCTYLIASA-N 317.266 4.743 30 20 DJED CC(C)(CC#N)CNC(=S)Nc1ccccc1-c1ccccc1 840846060 SQNQQYMNCWMAGW-UHFFFAOYSA-N 323.465 4.580 30 20 DJED COc1ccccc1CON=C[C@H]1CCC[C@H](C(F)(F)F)C1 853342742 MXWOGMQFJPTMAN-JSGCOSHPSA-N 315.335 4.566 30 20 DJED CC[C@H](N[C@@H]1CCO[C@H](c2ccccc2)C1)c1cccc(C#N)c1 902954460 VXVLFEOAYCQAQE-HKBOAZHASA-N 320.436 4.519 30 20 DJED C=C1CCC(c2nc(-c3ccccc3Br)no2)CC1 904961755 YCIXTLVAGOKZQH-UHFFFAOYSA-N 319.202 4.713 30 20 DJED CC(=NNc1ccc(F)cc1F)c1ccc(C(F)(F)F)cc1 915934187 UUQQSWSCTSHIBP-UHFFFAOYSA-N 314.257 4.820 30 20 DJED O=C(/C=C/c1cccs1)c1ccc(N2CCCCC2)c(F)c1 916128787 BXSAWWVDANJQEC-VQHVLOKHSA-N 315.413 4.774 30 20 DJED C=CCN(C(=O)Nc1cccc(C#Cc2ccccc2)c1)C(C)C 916707028 RKOYRYMZXIQFMZ-UHFFFAOYSA-N 318.420 4.515 30 20 DJED C=CCN(C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(C)C 920023861 HSIUIFWZWZVNQD-CYBMUJFWSA-N 313.363 4.622 30 20 DJED CCc1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)cc1CC 1127021609 MYDJVLMWFKKALK-AWEZNQCLSA-N 307.393 4.601 30 20 DJED Cc1c(C#N)c(SC[C@@H]2CCC[C@@H](C)C2)nc2c1CCC2 1165282865 YREJRYZDSYGXDC-TZMCWYRMSA-N 300.471 4.669 30 20 DJED C[C@H](Sc1cccnc1C#N)c1ccc(C(F)(F)F)cc1 1166182332 BHNDIOZZIVFDEI-JTQLQIEISA-N 308.328 4.825 30 20 DJED Cc1ccc([C@H](C)CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 1206328317 JNIADYXASSBOTB-IIBYNOLFSA-N 304.437 4.637 30 20 DJED N#Cc1cc(Cl)ccc1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 1279076899 FSCXERIZDOJANB-BFHYXJOUSA-N 316.832 4.757 30 20 DJED CC[C@@H](C#N)N(CC)C(=O)c1ccc(-c2ccc(C)cc2)cc1F 1289299059 SLVLYCGZGSSWCK-KRWDZBQOSA-N 324.399 4.565 30 20 DJED CCc1nsc(Nc2cccc(Oc3ccc(C#N)cc3)c2)n1 1306961886 HOXFASINEXLMSC-UHFFFAOYSA-N 322.393 4.508 30 20 DJED N#Cc1ccc(SC[C@@H]2CCC3(CCCC3)O2)c(Cl)c1 1307317289 GKFGZHUFXCUXPR-ZDUSSCGKSA-N 307.846 4.796 30 20 DJED N#CCCN(CCCc1cccc2ccccc12)Cc1ccco1 1307512717 FLNCPVSUWSRSLQ-UHFFFAOYSA-N 318.420 4.781 30 20 DJED C=C(Br)CN(CCc1ccccc1)c1ccccc1 1307540717 DDCIBQPDDUKGEP-UHFFFAOYSA-N 316.242 4.644 30 20 DJED C[C@H](Nc1ccc(C#N)cc1F)c1ccc(F)cc1OC(F)F 1319768956 DPKMUEILHPWGNK-VIFPVBQESA-N 324.277 4.611 30 20 DJED CC(C)c1ccc2occ(C(=O)[C@@H](C#N)c3cccc(F)n3)c2c1 1344042848 CCBXOJDDSQNXSL-AWEZNQCLSA-N 322.339 4.580 30 20 DJED CC[C@@H](CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C(C)C 1361171383 UXHJITGWUHYCOY-NSHDSACASA-N 312.335 4.588 30 20 DJED CC(C)c1cccc2c1N(C(=O)CC1(C#N)CCCCC1)CCC2 1460944927 IILDGXIKCWQPLS-UHFFFAOYSA-N 324.468 4.953 30 20 DJED CC1(C)CCCC[C@@H]1CC(=O)Nc1ccc(C#N)c(Cl)c1 1521816093 SFZAMAMISYVXMS-CYBMUJFWSA-N 304.821 4.757 30 20 DJED CCCN(CC1(CC#N)CC1)[C@@H]1C[C@@H](OCC)C12CCCCC2 1559573728 LDUNOVUYIHLENV-QZTJIDSGSA-N 318.505 4.520 30 20 DJED CC(C)(CC(=O)N1CCCc2cc(C#N)ccc21)C1CCCCC1 1588057218 PWOPBUCWQDRAOU-UHFFFAOYSA-N 324.468 4.834 30 20 DJED N#Cc1cc(F)ccc1CSc1nc2ccc(F)cc2s1 1614952203 DBEWCNMRTCRWTN-UHFFFAOYSA-N 318.373 4.738 30 20 DJED COc1cc(C#N)ccc1Oc1nc2c(C)c(C)ccc2s1 1641945516 BKLDFWNKFKJVBW-UHFFFAOYSA-N 310.378 4.586 30 20 DJED CCC(CC)(CNc1ccc(C#N)cn1)c1ccc(Cl)cc1 1642186418 XFEBKPFAGIASDX-UHFFFAOYSA-N 313.832 4.777 30 20 DJED CCN(Cc1cc(Cl)ccc1OCC#N)[C@H]1CCCC[C@H]1C 1642722237 OBPQPQKKBHEGFF-PBHICJAKSA-N 320.864 4.643 30 20 DJED CCc1ccc([C@H](NCc2ccc(C#N)cc2C)C(C)C)cc1 1644881372 OMZGSAURHARFHW-OAQYLSRUSA-N 306.453 4.916 30 20 DJED Cc1ccc(C)c(CN(Cc2ccc(C#N)cc2)CC(C)C)c1 1652372842 DTRTYJJORJCCTQ-UHFFFAOYSA-N 306.453 4.833 30 20 DJED C[C@H](CCC#N)CN1CCC[C@@H]1c1ccccc1Br 1659112678 VPTUJPVJSBNSJD-CZUORRHYSA-N 321.262 4.526 30 20 DJED N#Cc1ccc(COC(=O)c2sccc2-c2ccccc2)cc1 10986441 XPYMGIKYAGKLRA-UHFFFAOYSA-N 319.385 4.644 30 20 DJED Cc1ccc(C(=O)/C=C/c2csc(-c3ccsc3)n2)o1 48985246 LITRONYUYOEYRB-ONEGZZNKSA-N 301.392 4.669 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cc1 59270319 CMHNHYFPGCADPY-NYYWCZLTSA-N 306.283 4.610 30 20 DJED N#Cc1cccc(CSCc2coc(-c3cccs3)n2)c1 73449078 VLWTXFMQZKOLIR-UHFFFAOYSA-N 312.419 4.708 30 20 DJED Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)c1ccc(F)cc1 96766559 MBFPRGVCELURTB-SEYXRHQNSA-N 320.367 4.524 30 20 DJED CCCCCCCC(=O)N1CCC(OCc2ccccc2)CC1 127790754 GMSUEKNKLLFWFR-UHFFFAOYSA-N 317.473 4.555 30 20 DJED N#CCC[C@@H](N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 128150317 WCEVBJFKEQVECO-HRCADAONSA-N 310.363 4.742 30 20 DJED CC(C)(C)[C@@H](NCc1cc(C#N)cs1)c1ccc(F)cc1F 150873437 PUDRZLDODIKVFN-INIZCTEOSA-N 320.408 4.775 30 20 DJED N#CCCCOc1cccc(CNc2nccc3sccc23)c1 158951054 JUCZMWCNPIVKSS-UHFFFAOYSA-N 323.421 4.591 30 20 DJED N#CCCN(Cc1ccco1)Cc1ccc(Oc2ccccc2)o1 180415323 GLSSRTXXZIPUJV-UHFFFAOYSA-N 322.364 4.581 30 20 DJED N#Cc1ccc(NCc2ccccc2Cl)cc1Br 228174121 QEDGKNLJOQQIHW-UHFFFAOYSA-N 321.605 4.586 30 20 DJED CC[C@H](NCc1cccc(OCCCC#N)c1)c1ccc(C)cc1 236948083 OWZNIBNZUGWDMI-NRFANRHFSA-N 322.452 4.919 30 20 DJED Cc1cc(O)nc2cc(/C(O)=N/[C@@H]3CCC[C@@H](C)CC3)ccc12 329666615 REZPPIRNZWMZOA-IUODEOHRSA-N 312.413 4.522 30 20 DJED CC[C@@H]1C[C@@H](/C(O)=N/C2CCC3(CCCCC3)CC2)CC(O)=N1 329962346 SBNGEZARWPHRTE-HUUCEWRRSA-N 320.477 4.981 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCCc3ccccc32)cc1 332373519 RFKXPBLZWRTQMZ-LJQANCHMSA-N 318.420 4.546 30 20 DJED C=CCC[C@H](NC(=O)[C@H]1CCCC(F)(F)C1)c1ccccc1 409981908 VCZHIFWTQHDNLK-HOTGVXAUSA-N 307.384 4.636 30 20 DJED CCCC[C@H](C)C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 410092992 GCKVMXIYVWOMED-IINYFYTJSA-N 313.228 4.501 30 20 DJED CCCC[C@@H](C)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 410092994 GCKVMXIYVWOMED-YGRLFVJLSA-N 313.228 4.501 30 20 DJED C=CC[C@H](CC)NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 410123816 QSTHSMZDWJPWGV-WFASDCNBSA-N 313.363 4.670 30 20 DJED CC[C@H](c1ccc(F)cc1)[S@@](=O)CCC1(C#N)CCCCC1 417143214 GOVXNBBMOOHOCU-VGSWGCGISA-N 321.461 4.890 30 20 DJED CCC(C)(C)OCc1ccccc1N[C@H]1CCC[C@H](C#N)C1 446757030 PPYGFDOOFQDWRI-RDJZCZTQSA-N 300.446 4.886 30 20 DJED N#CC1(CN2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 469516106 XQUHVJIRGHEXFS-OAHLLOKOSA-N 308.347 4.536 30 20 DJED CCC1(c2ccc(Cl)cc2)CCN(CCCCC#N)CC1 470868627 OOZUYJYSLFLFEJ-UHFFFAOYSA-N 304.865 4.777 30 20 DJED Cc1ccc(SC[C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 471603283 SELSOKFJMMDJSX-CVEARBPZSA-N 310.466 4.698 30 20 DJED CC[C@H](c1ccccc1)N(CC)C(=O)Nc1cc(C#N)ccc1C 476824994 LMXQTNAKIQSYGS-LJQANCHMSA-N 321.424 4.872 30 20 DJED C=C(C)CSCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 477011954 NEDCJAOJVWEQEJ-UHFFFAOYSA-N 324.660 4.895 30 20 DJED C=CCCCC(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 478438475 LOEMEWUVWLTBBK-UHFFFAOYSA-N 323.358 4.677 30 20 DJED CC(C)(C#N)CCCN1CCc2c(Cl)cc(Cl)cc2C1 483612681 CWEXGJZWVNTWRW-UHFFFAOYSA-N 311.256 4.681 30 20 DJED Cc1cc(CN[C@@H](C)c2oc3ccccc3c2C)ccc1C#N 488278177 MNNWABGWLFMTPE-HNNXBMFYSA-N 304.393 4.772 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1ccc(OCCC)c(Cl)c1 488344605 HVYVUNCMWKTEFX-AWEZNQCLSA-N 322.836 4.701 30 20 DJED CCC[C@H](C)CC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 505991870 OFUCQTRNKKZNGL-IINYFYTJSA-N 313.228 4.501 30 20 DJED CCNc1ccc(C#N)cc1NC(=O)c1ccc(C2CCC2)cc1 521219899 WIYSRGYHCCOWDF-UHFFFAOYSA-N 319.408 4.510 30 20 DJED CC(C)C[C@H](NCC1(C#N)CC1)c1cccc(C(F)(F)F)c1 538388830 GRJPPNQCHJNGMH-HNNXBMFYSA-N 310.363 4.686 30 20 DJED Cc1ccnc(N[C@@H]2CCSc3ccc(Cl)cc32)c1C#N 541279962 FMZIDPKBPCPDOZ-CQSZACIVSA-N 315.829 4.564 30 20 DJED C=CCC(CC=C)c1nc(Cc2csc(C(C)(C)C)n2)no1 545091289 LCOFINQVBUWYLF-UHFFFAOYSA-N 317.458 4.650 30 20 DJED CC[C@H](N[C@H](C)CCOCc1ccccc1)c1ccc(C#N)cc1 565957764 PEZQDVJIKSZUBT-UTKZUKDTSA-N 322.452 4.594 30 20 DJED Cc1cc(C)c2c(c1)CC[C@H]2N[C@@H](CCC#N)c1ccccc1 594499395 DCDMWBBHLSKOQT-VQTJNVASSA-N 304.437 4.925 30 20 DJED C=CC1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 599680768 LDSRPYXCVYJPMV-UHFFFAOYSA-N 307.393 4.517 30 20 DJED COc1ccc(Cl)cc1[C@H](C)N[C@H](C)c1cccc(C#N)c1 610830070 BZNSRSUIDFXOKW-OLZOCXBDSA-N 314.816 4.632 30 20 DJED CCOc1cccc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c1 611392103 GKKUTMPCLZSJAO-VFNWGFHPSA-N 320.436 4.685 30 20 DJED C=CCCC[C@H](C)NC(=O)c1oc2ccccc2c1CSC 611429042 LKBRKOHARPTEKS-ZDUSSCGKSA-N 317.454 4.770 30 20 DJED N#C[C@@H](C(=O)c1ccc2c(c1)CCC=C2)c1ccc2ccccc2n1 671278972 RMZWSIIUFNLVOB-LJQANCHMSA-N 324.383 4.684 30 20 DJED C=CCN(C(=O)NCc1ccc(Oc2ccccc2)cc1)C(C)C 726264407 INIPAQJHWNPIAQ-UHFFFAOYSA-N 324.424 4.585 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc(OCC(F)F)cc2)s1 741847862 IWAPRZXPQLPUDM-YVMONPNESA-N 308.349 4.597 30 20 DJED Cc1cc(/C=C/C(=O)c2ccccc2)c(OC(F)F)cc1C 742429189 JIZDFBQJKKPYJL-CMDGGOBGSA-N 302.320 4.801 30 20 DJED C[C@@H](NC(=O)Nc1ccc2ccccc2c1)c1cccc(C#N)c1 743058100 NSXBEGSDCAKWEL-CQSZACIVSA-N 315.376 4.594 30 20 DJED CC(C)Oc1ccccc1CNc1nc2ccccc2cc1C#N 750017122 QXFKPZOVPXIQGW-UHFFFAOYSA-N 317.392 4.506 30 20 DJED CC(=NNc1cc(C(F)(F)F)ccc1F)c1occc1C 753947532 PPSUWDOOHSXMQF-UHFFFAOYSA-N 300.255 4.582 30 20 DJED CCCCCCCCNC(=O)N1C[C@@H](C)C[C@@H]1c1cccnc1 754241880 GDOHYFNFNNQRAP-FUHWJXTLSA-N 317.477 4.535 30 20 DJED CCCOc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1OCCC 765922105 ZWTQSDZHURMURC-JKSUJKDBSA-N 316.445 4.758 30 20 DJED Cc1cc(/C=C/C(=O)c2occc2C)ccc1Oc1cccnc1 769784456 VUOYUUADVFOFSN-FNORWQNLSA-N 319.360 4.980 30 20 DJED CC(C)[C@@H](Cc1ccccc1)N[C@@H](C)c1ccc(OCC#N)cc1 779030286 QNUPQQRVXXUBPM-LAUBAEHRSA-N 322.452 4.507 30 20 DJED N#Cc1ccc(COC(=O)c2cccc(C(F)F)c2)c(Cl)c1 784219900 ZFMMHTJSZIATST-UHFFFAOYSA-N 321.710 4.506 30 20 DJED N#Cc1ccc(C(=O)OCc2cccc(C(F)F)c2)cc1Cl 791760144 JOGHPUUFNVOOBA-UHFFFAOYSA-N 321.710 4.506 30 20 DJED C#CCC1(C(=O)Nc2cccc(-c3ncco3)c2C)CCCCC1 816798820 WRVMNVUVBQIZCI-UHFFFAOYSA-N 322.408 4.562 30 20 DJED C[C@H](C#N)Oc1ccccc1N[C@H](C)[C@@H]1C[C@H]1c1cccs1 841754366 PQCDPFHOBGHSKL-APIJFGDWSA-N 312.438 4.643 30 20 DJED CC(C)=CCC[C@@H](C)CC(=O)Nc1ccccc1O[C@H](C)C#N 843575622 QTCTWXRQXGSCRI-HZPDHXFCSA-N 314.429 4.689 30 20 DJED C#CCCCCCCNc1cccc(C[S@](=O)C(C)(C)C)c1 876861797 DNABXPZGEBDMAD-QFIPXVFZSA-N 319.514 4.729 30 20 DJED N#CC1(CCCC[S@@](=O)Cc2sccc2Cl)CCC1 899410213 WNSGHSLBYBZTDN-LJQANCHMSA-N 315.891 4.514 30 20 DJED C#Cc1cccc(NC(=O)N[C@@H](CC)c2cccc(Cl)c2)c1 915339798 IZTDNCQRXQDCHN-KRWDZBQOSA-N 312.800 4.594 30 20 DJED CC(=NNc1nncc2ccccc12)C12CC3CC(CC(C3)C1)C2 915914300 MWKHVEDXARGCBY-UHFFFAOYSA-N 320.440 4.634 30 20 DJED CCc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1CC 1124299743 YHOQEAYUROBBEL-UHFFFAOYSA-N 312.800 4.589 30 20 DJED N#Cc1ccc(CN2CCC(c3ccccc3)CC2)c(Cl)c1 1190319670 YRKXYYMUQKWHTA-UHFFFAOYSA-N 310.828 4.591 30 20 DJED CCN(Cc1nsc2ccccc12)[C@@H](C)c1ccc(C#N)cc1 1190475694 LFZCHFBDBYNEHU-AWEZNQCLSA-N 321.449 4.751 30 20 DJED C=C(Cl)CN[C@H](C)c1ccc(OCCC(C)C)c(OC)c1 1192674258 YAHVDQOLLPBZRJ-CQSZACIVSA-N 311.853 4.523 30 20 DJED C[C@@H](Cc1coc2ccccc12)NCc1ccc(C#N)c(Cl)c1 1308716586 XRMHGORXNVPPLJ-ZDUSSCGKSA-N 324.811 4.679 30 20 DJED C=CCn1cnnc1SCc1ccccc1Oc1ccccc1 1317709737 CVWRKOSRYMUKIU-UHFFFAOYSA-N 323.421 4.549 30 20 DJED CCCC(CCC)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1348100261 MJGSZBDLXLBSSL-LBPRGKRZSA-N 318.486 4.899 30 20 DJED CC1(C)CCCC[C@@H]1CC(=O)Nc1ccc(Cl)c(C#N)c1 1351349714 ZPNFMDWBTYDQAN-CYBMUJFWSA-N 304.821 4.757 30 20 DJED CCOc1ccc(C#N)cc1NC(=O)c1ccc([C@@H](C)CC)cc1 1355573884 BXLDPZUYZWJIEP-AWEZNQCLSA-N 322.408 4.723 30 20 DJED C[C@@H]1CCCC[C@@H]1CC(=O)N(c1ccc(C#N)cc1)C1CCC1 1461768288 KSNXPXRMWPYKJE-NVXWUHKLSA-N 310.441 4.660 30 20 DJED C[C@H]1CN(CCC2(C#N)CCCCC2)CC[C@H]1c1ccccc1 1473193627 QRGUOUYBXLPNDT-AZUAARDMSA-N 310.485 4.976 30 20 DJED CC1(C)CCCN(Cc2ccc(-c3cccs3)cc2)[C@@H]1C#N 1473448592 LJYIROLDRSVFSI-GOSISDBHSA-N 310.466 4.929 30 20 DJED CC(C)(C)c1ccc(CCC(=O)Nc2ccc(F)cc2C#N)cc1 1515017767 PPAZEBADWZNQFG-UHFFFAOYSA-N 324.399 4.566 30 20 DJED Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2csc(C#N)c2)cc1 1530622184 WJGJKWMEFPYOQL-KBXCAEBGSA-N 324.449 4.542 30 20 DJED CC[C@H](C)[C@H](C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 1537633814 OBHMJPJRFMTXSY-GJZGRUSLSA-N 322.408 4.971 30 20 DJED N#Cc1cc(CN2C[C@H]3CCCC[C@@]32c2ccccc2)ccc1F 1559603725 HFVJWBMKXYECNR-TZIWHRDSSA-N 320.411 4.599 30 20 DJED CCC[C@@H](CC1CCCC1)C(=O)Nc1ccc(OC)c(C#N)c1 1595804251 YBFAQPBHSTZGGH-HNNXBMFYSA-N 314.429 4.502 30 20 DJED Cc1cc([C@@H](C)Nc2ncc(Cl)c(C)c2C#N)c(C)s1 1611783318 LHUZOCAPHPPZQK-SNVBAGLBSA-N 305.834 4.767 30 20 DJED Cc1cc(SCc2c(Cl)cccc2Cl)ncc1C#N 1611892689 AIQREEADVKQTHL-UHFFFAOYSA-N 309.221 4.861 30 20 DJED N#Cc1c(F)cccc1N(Cc1ccccc1Cl)CC1CC1 1612370797 LFAYWNWKBBBKPW-UHFFFAOYSA-N 314.791 4.767 30 20 DJED N#CCc1ccc(CN2CCC[C@@H]2c2cccc(Cl)c2)cc1 1615188621 ZTQDHXHRGJFCSN-LJQANCHMSA-N 310.828 4.743 30 20 DJED CC[C@H]1CN(Cc2ccc(C#N)c(C)c2)CC[C@H]1c1ccccc1 1621133549 ZTLIDHWIZDOKJL-SIKLNZKXSA-N 318.464 4.882 30 20 DJED CC[C@H](C)Oc1ccc(Nc2nc(C)c(C#N)cc2Cl)cc1 1639336058 RFAAQWSCJVDZJT-NSHDSACASA-N 315.804 4.836 30 20 DJED N#Cc1cccc(NCC2(c3ccccc3)CCCCCC2)n1 1639415414 UIDXIDFWJXBMFV-UHFFFAOYSA-N 305.425 4.657 30 20 DJED CC(C)(C)c1ccc(C#N)c(N[C@H](Cc2ccccc2)C2CC2)n1 1651523064 WBKQYIDWJMVOAH-GOSISDBHSA-N 319.452 4.684 30 20 DJED CCCN(Cc1ccc(CC#N)cc1)[C@H]1CCc2ccccc21 1653225488 ISHRZVSNMISKAC-NRFANRHFSA-N 304.437 4.652 30 20 DJED Cc1ccc([C@H]2[C@H](C)CCCN2Cc2cccc(C#N)c2F)cc1 1653438961 YOIMZLOAYDUGPM-IIBYNOLFSA-N 322.427 4.979 30 20 DJED CC(C)c1ccc(SCC(=O)Nc2ccc(CC#N)cc2)cc1 27683582 MCRQFBAVCLSKRN-UHFFFAOYSA-N 324.449 4.607 30 20 DJED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3)n2)cc1 46442734 ZBHUYWYZBSDPLL-INIZCTEOSA-N 318.401 4.609 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C)c(C)c1 60451317 HTHZMBIPEZKNPD-UHFFFAOYSA-N 319.857 4.847 30 20 DJED Cc1ccccc1[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)C(C)C 69879767 ZHHPTPIVCTVMJI-UWJYYQICSA-N 322.452 4.773 30 20 DJED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(C)(C)C#N 76183216 CMAJIAMLOJJKCS-HNNXBMFYSA-N 322.408 4.623 30 20 DJED C[C@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccc(C#N)cc1 78972635 WJZFTCHHACZAQQ-LBPRGKRZSA-N 303.365 4.750 30 20 DJED Cc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)oc1C 125232560 WSFNSVPGABKNFW-LBPRGKRZSA-N 314.410 4.543 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1F)c1cccc(Cl)c1Cl 151140358 ALAISNYYCXJVLT-SNVBAGLBSA-N 323.198 4.855 30 20 DJED O=C(/C=C/c1cncs1)c1ccc(Cl)c(C(F)(F)F)c1 162686366 LKRROXCUKDRDIK-DUXPYHPUSA-N 317.719 4.711 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 176932119 UFKARXQDKLXFOW-KRWDZBQOSA-N 303.833 4.772 30 20 DJED CC(C)Sc1ccc([C@H](C)NCc2cc(C#N)cs2)cc1 177696088 VZVLTEDMZUQLBU-ZDUSSCGKSA-N 316.495 4.971 30 20 DJED C[C@@H](NCc1ccc(C2CCC2)cc1)c1ccc(OCC#N)cc1 277184021 ICZXTQBWHNPXEJ-MRXNPFEDSA-N 320.436 4.707 30 20 DJED C=CCC[C@H](CCC)Nc1cccc(NC(=O)N(C)C)c1C 279667078 MSRHSXRGCULISX-HNNXBMFYSA-N 303.450 4.635 30 20 DJED Cc1cccc([C@H]2CCCN2c2ccc(Cl)c(C#N)n2)c1C 301599392 UJSQNJJVXXUMKM-QGZVFWFLSA-N 311.816 4.565 30 20 DJED C[C@H]1C[C@H]1c1ccc(CNc2ccc(C#N)cc2C(F)(F)F)o1 320177991 ZTQAUPOMGYWBBJ-GXFFZTMASA-N 320.314 4.906 30 20 DJED OC(=Nc1cccc(NC2CCCC2)c1)[C@@H]1CCc2cccnc21 329367153 ISXYDQYKARNBKP-GOSISDBHSA-N 321.424 4.754 30 20 DJED O/C(=N/[C@H]1CCCCC12CCCC2)c1cc2ccccc2nc1O 329575568 BCEPZXUSWBBOAH-KRWDZBQOSA-N 324.424 4.748 30 20 DJED C[C@H](CCC#N)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F 411615609 RTHVWGCBQGRDRQ-IVMMDQJWSA-N 310.363 4.623 30 20 DJED C=CCOc1cccc(NC(=O)N2CCC[C@@H](C)[C@@H]2CCC)c1 437840391 JNBMMPNFCFPQCA-QAPCUYQASA-N 316.445 4.684 30 20 DJED CC(C)c1ccc([C@H](C)CC(=O)N(C)c2ccc(C#N)cc2)cc1 439926041 BWNKHDLBAKCDPY-MRXNPFEDSA-N 320.436 4.838 30 20 DJED N#C[C@@H]1CC[C@H](N[C@H](c2ccc(Cl)cc2)c2cccs2)C1 442793681 QORRUUPWSSRIKR-ISTRZQFTSA-N 316.857 4.773 30 20 DJED CC(C)(CCC#N)CN[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 449771482 JVFPQQQBJFIEGN-NVXWUHKLSA-N 304.865 4.896 30 20 DJED CO[C@@H](CNc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 462893155 BYUZKLXOKNYACQ-INIZCTEOSA-N 321.207 4.665 30 20 DJED CC(C)(C)[C@H]1CN(C(=O)c2ccc(CC#N)cc2)c2ccccc21 470280012 NDCVHOXFUBSDLU-SFHVURJKSA-N 318.420 4.543 30 20 DJED C=CCOCCCS[C@H](C)c1ccc(OC(F)F)cc1 479582105 JMTWZYLKLHCYRT-GFCCVEGCSA-N 302.386 4.675 30 20 DJED CN(Cc1ccccc1C(C)(C)C#N)[C@H]1CCc2ccccc21 487423982 AUCYSEFZFKVZCI-FQEVSTJZSA-N 304.437 4.607 30 20 DJED CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 505557369 IYZODXAPLKMXIN-WMLDXEAASA-N 313.445 4.578 30 20 DJED CCOc1ccc(C#N)cc1NC(=O)[C@@H](C)CC1CCCCC1 510502754 RNGCUWFYOKSAIW-AWEZNQCLSA-N 314.429 4.502 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)c1cc(C)c(CC)s1 515872898 PHVRUXIICZHGLJ-UHFFFAOYSA-N 317.429 4.586 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 523983000 VPZDIHUJSBRNFU-CVEARBPZSA-N 324.424 4.913 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N1CCCCC[C@H]1CC(C)C 530604195 HGXRCIMXWJGSRV-KRWDZBQOSA-N 313.445 4.689 30 20 DJED C=CCC[C@@H](N[C@@H]1CCc2ccc(OC)cc21)c1ccccc1 537949010 OPLMEXMSBOPUHY-NHCUHLMSSA-N 307.437 4.980 30 20 DJED C=CCCC[C@@H](C)NC(=O)N(C)Cc1csc2ccccc12 540488670 XDAIBHSTOXIVLY-CQSZACIVSA-N 316.470 4.788 30 20 DJED CC(C)(C#N)CC[S@](=O)c1ccc(C2CCCCC2)cc1 548133607 YYOGDOPONZGLIJ-NRFANRHFSA-N 303.471 4.782 30 20 DJED Cc1nc(C(C)C)ccc1CSc1ccc(C#N)cc1F 549056192 IJCGGVYGWRMIGD-UHFFFAOYSA-N 300.402 4.817 30 20 DJED Cc1c(Cl)cnc(N2CC[C@H]2c2ccc(Cl)cc2)c1C#N 553262308 PSUIAWCJMLQSID-HNNXBMFYSA-N 318.207 4.520 30 20 DJED CC(C)(C#N)c1ccccc1CNc1cccc(F)c1Cl 564201240 KVKUNODVAXOAFI-UHFFFAOYSA-N 302.780 4.892 30 20 DJED Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CCCCCC#N 588656838 VCSDGBQLOLFAJO-CQSZACIVSA-N 321.490 4.568 30 20 DJED N#Cc1ccc(CNCC2(c3cccs3)CCCCC2)cc1 610089961 HKVOGTAHXYCJAO-UHFFFAOYSA-N 310.466 4.611 30 20 DJED C[C@@H](NC1CC(c2ccc(Cl)cc2)C1)c1cccc(C#N)c1 612401323 ANPSMAJCTFSCAK-UYCDIGJJSA-N 310.828 4.808 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C\c1ccccc1C(F)(F)F)C2 730948861 NOMCFSHBKGKOPK-UVTDQMKNSA-N 302.295 4.836 30 20 DJED C/C=C/COc1ccc(CCC(C)=NOCc2cccnc2)cc1 746587288 MRIZPCURVBCPBI-XTWOPPOPSA-N 324.424 4.562 30 20 DJED O=C1/C(=C\c2cccc(O)c2)CCSc2ccc(Cl)cc21 748441677 MJDHALFRAVEBAW-WQLSENKSSA-N 316.809 4.808 30 20 DJED N#Cc1ccccc1/C=C\C(=O)c1ccc(Cl)c(Cl)c1 755568629 CDZCVTKBZJTDNB-VURMDHGXSA-N 302.160 4.761 30 20 DJED Fc1ccc(C=NOc2ccccc2C(F)(F)F)cc1Cl 755817561 ZSDPNMUAOIBSLH-UHFFFAOYSA-N 317.669 4.911 30 20 DJED Cc1ccc(OC(F)F)c(/C=C\C(=O)c2cc(F)ccc2F)c1 757473724 HBGUBAUFIHCGLF-UTCJRWHESA-N 324.273 4.771 30 20 DJED Fc1ccc(NN=Cc2csc(Cl)c2Cl)c(F)c1 761724073 OYHWPUYBEREFHP-UHFFFAOYSA-N 307.152 4.779 30 20 DJED C=CC[C@@H](N[C@H](C)c1ccccc1OC(F)F)c1ccncc1 766019347 LVIPDSFATPECJK-CZUORRHYSA-N 318.367 4.651 30 20 DJED CC(=NNc1c(F)cccc1Cl)c1csc(C(C)C)n1 769828221 CVZWWXWUUSPXFV-UHFFFAOYSA-N 311.813 4.895 30 20 DJED N#Cc1ccc(Oc2cccc(NC(=O)C3(F)CCCC3)c2)cc1 772022382 GACGIHLFQQMCQS-UHFFFAOYSA-N 324.355 4.571 30 20 DJED Cc1ccc([C@@H](NCc2ccc(OCC#N)cc2)C2CCCC2)o1 775625755 GWHSEQUZRDYRHX-FQEVSTJZSA-N 324.424 4.512 30 20 DJED O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)c1ccncc1 776188255 LWFSFVFPRMDMBH-DAFODLJHSA-N 311.690 4.650 30 20 DJED O=C1/C(=C\c2ccc3ncccc3c2)CCc2ccc(F)cc21 776192569 LDZGVEZPQGTNIG-WJDWOHSUSA-N 303.336 4.586 30 20 DJED CCOc1cccc(/C=N\[C@@H](CC(C)(C)C)C(F)(F)F)c1O 777873556 OLQPLGCHJVTTQQ-NLLJVSSUSA-N 317.351 4.577 30 20 DJED C[C@@H](Cc1ccc(Cl)cc1)Nc1ccccc1O[C@@H](C)C#N 780744353 LJSFJOHLPDSVSX-KBPBESRZSA-N 314.816 4.674 30 20 DJED C=CC[C@H](N[C@H]1CC[C@H](Cc2ccccc2)C1)c1ccncc1 783246405 RTQQPSOALDBANM-GIVPXCGWSA-N 306.453 4.700 30 20 DJED CC(C)(C)CCC(=NNc1cc(Cl)ccn1)c1cscn1 807981593 PGNMNWLIMWSNRS-UHFFFAOYSA-N 322.865 4.834 30 20 DJED Cc1ccc2cc(C(=O)/C=C/c3cccc(F)c3C#N)oc2c1 811690919 IIIOEYKISPDTHY-BQYQJAHWSA-N 305.308 4.648 30 20 DJED Fc1ccccc1CC(Cc1ccccc1F)=NOC1CCC1 812237337 VHOLONLGPGUPRO-UHFFFAOYSA-N 315.363 4.675 30 20 DJED C=CC(C)(C)c1nc(-c2cccc3c2ccn3C(F)F)no1 817103735 MMVDTQZHJPILJU-UHFFFAOYSA-N 303.312 4.550 30 20 DJED CC(C)N(C)c1ccc(NC2CCC(C)(C#N)CC2)cc1F 823507865 KYJKZWOKXQHVIK-UHFFFAOYSA-N 303.425 4.555 30 20 DJED N#C[C@H](C(=O)[C@@H](F)CC1CCCCC1)c1nc(C2CC2)cs1 842945763 RXNDKTMFWIQDMX-KGLIPLIRSA-N 320.433 4.505 30 20 DJED N#C[C@@H](C(=O)CCC1CCCCCC1)c1cnc2ccccc2n1 847694030 CCLIQBFEJKXWRY-MRXNPFEDSA-N 321.424 4.557 30 20 DJED Oc1ccc(C2CCC(=NNc3ccc(Cl)cn3)CC2)cc1 853435894 UJMFIOGCUBFBDY-UHFFFAOYSA-N 315.804 4.566 30 20 DJED Fc1cccc(C=NOCc2csc(-c3cccs3)n2)c1 920399247 OPMYRLKOXNYIMY-UHFFFAOYSA-N 318.398 4.561 30 20 DJED Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(F)c(C#N)c1 1125726867 VZTOTMZRQSYQRY-UHFFFAOYSA-N 320.323 4.518 30 20 DJED C[C@@H]1C[C@@H](CCNc2ccc(Cl)c(C#N)n2)CC(C)(C)C1 1163192180 SRJXIVPLWYWAHT-CHWSQXEVSA-N 305.853 4.871 30 20 DJED CN(Cc1cc(Cl)cc(Cl)c1)Cc1cccc(C#N)c1F 1190381668 DZQZYMYWOREUQK-UHFFFAOYSA-N 323.198 4.636 30 20 DJED Cc1csc(NC(=O)N2CCCC3(CCCCC3)C2)c1C#N 1217533447 YIOFQCSHBYLXMK-UHFFFAOYSA-N 317.458 4.506 30 20 DJED CC[C@@H](C)N(Cc1ccccc1)C(=O)CC1(C#N)CCCCC1 1264217847 ZMMFZTYBFMFEDR-QGZVFWFLSA-N 312.457 4.678 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1Cl)c1ccc(C#N)cc1 1307552303 RJAXEZWWZJPYDT-UHFFFAOYSA-N 323.827 4.746 30 20 DJED C/C(=C\c1nnc(-c2cccc(C#N)c2)o1)c1cccc(Cl)c1 1326301277 ITNBIFWUFQMCOL-XYOKQWHBSA-N 321.767 4.822 30 20 DJED C[C@H](OC(=O)c1ccc(F)c2ccccc12)c1ccc(C#N)cc1 1361169114 WCTZCHYQVCOXFZ-ZDUSSCGKSA-N 319.335 4.769 30 20 DJED CC(C)Cc1cccc([C@H](C)C(=O)N(C)c2cccc(C#N)c2)c1 1434871984 SJTNQODELGZTCG-INIZCTEOSA-N 320.436 4.523 30 20 DJED Cc1ccc2oc(C(=O)O[C@H](C)c3cccc(C#N)c3)cc2c1 1457761683 YWFKUBRHVNUALJ-CYBMUJFWSA-N 305.333 4.531 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[C@H](C)CC(C)(C)C 1461078396 KZPSZEKANJLUOO-GJZGRUSLSA-N 300.446 4.540 30 20 DJED Cc1ccc(C(=O)N[C@H](c2ccccc2)C2CCCC2)cc1C#N 1519633247 SMXWXGIJJIGNLD-HXUWFJFHSA-N 318.420 4.528 30 20 DJED Cc1cccc2c(C(=O)Nc3ccc(Cl)c(C#N)c3)coc12 1531847317 SGGLBGMJNKKURI-UHFFFAOYSA-N 310.740 4.519 30 20 DJED N#C[C@@H]1CCC[C@@H](OC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C1 1584703466 RZJOXBCJBHFDBK-NXWXRZEISA-N 311.425 4.586 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H]2CCCC[C@H]2C)n1 1613423801 MNQICRIUVDUTBP-RNCFNFMXSA-N 314.376 4.951 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N(C)Cc1csc2ccccc12 1641497832 LCRGZJULLZGSRF-AWEZNQCLSA-N 306.434 4.966 30 20 DJED CCc1nc(S[C@H](C)c2cccc(C#N)c2)c2ccccc2n1 1644044529 FFWAREKBMOMCBW-CYBMUJFWSA-N 319.433 4.917 30 20 DJED Cc1cccc([C@@H]2CCCCN2Cc2ccc(C#N)s2)c1C 1644690289 AGCQIBAPWNZCIM-IBGZPJMESA-N 310.466 4.964 30 20 DJED C[C@@]1(c2ccccc2)CCCN(Cc2ccc(C#N)cc2F)CC1 1652446875 XUFORHXACZOCJT-OAQYLSRUSA-N 322.427 4.641 30 20 DJED CCc1cccc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 1652554789 KDJOCQXBDMIXKN-NHCUHLMSSA-N 304.437 4.521 30 20 DJED CC1(C)CCC(C)(C)N(Cc2cc(Cl)ccc2OCC#N)C1 1655121264 LANIWBCCDMRKCX-UHFFFAOYSA-N 320.864 4.643 30 20 DJED Cc1cc(N(Cc2c(C)cccc2C)CC(C)C)ncc1C#N 1655598577 SAYLCEFHPVAPAR-UHFFFAOYSA-N 307.441 4.541 30 20 DJED N#CCC1(CN(Cc2ccccc2C(F)(F)F)CC2CC2)CC1 1658616613 NNRKVBFZTQXUOC-UHFFFAOYSA-N 322.374 4.611 30 20 DJED C[C@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2)c2ccsc2S1 1659070168 SYPRAQSICHVUER-BLLLJJGKSA-N 314.479 4.677 30 20 DJED Cc1cc(CNC[C@H]2CCCC[C@H]2c2ccccc2)ccc1C#N 1662461771 JIPKDFAICOLKHD-YADHBBJMSA-N 318.464 4.930 30 20 DJED C=CC[C@@]1(C(=O)O)CCCN([C@H](C)c2cccc3ccccc23)C1 1776154000 RAPVKPKLNVGLEV-IIBYNOLFSA-N 323.436 4.644 30 20 DJED CN(Cc1cc(C#N)ccc1F)Cc1csc2ccccc12 58582332 YEZUEMPNMWEJIF-UHFFFAOYSA-N 310.397 4.544 30 20 DJED C=CCCC(=O)O[C@@H](C)c1ccccc1NC(=O)c1ccccc1 73289439 QEHBMFRIQXPAKB-HNNXBMFYSA-N 323.392 4.509 30 20 DJED CC[C@H](C#N)Oc1cccc(CNc2ccnc3ccsc23)c1 78260187 PPZRJLJDJVEVHO-CQSZACIVSA-N 323.421 4.589 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCc1cnc(Cl)s1 89660389 WADHJKQOGNFTDC-SNVBAGLBSA-N 323.874 4.803 30 20 DJED COc1cc(/C=C\C(=O)c2ccc(C)c(C)c2)cc(Cl)c1O 97993039 QKAKHDNEGRQSOJ-ALCCZGGFSA-N 316.784 4.567 30 20 DJED N#CCCn1cc(-c2csc([C@H]3CCCO3)n2)c2ccccc21 136479364 YYBKNNQTYAEPQU-QGZVFWFLSA-N 323.421 4.530 30 20 DJED CC[C@H](NCc1cc(C#N)ccc1F)c1cccc(Cl)c1 173450768 CBLCRXYQQYGEPM-KRWDZBQOSA-N 302.780 4.592 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)c1ccccc1 182644040 LOXWXKLOVWKHLV-HUUCEWRRSA-N 324.449 4.823 30 20 DJED Cc1cccc(C)c1CSCCCC1(C#N)CCOCC1 281876294 NVDFOFGWIHLHNR-UHFFFAOYSA-N 303.471 4.637 30 20 DJED N#CCOc1cccc(NC2CCC(c3ccccc3)CC2)c1 319943493 SPHHCUDOJUZXRE-UHFFFAOYSA-N 306.409 4.727 30 20 DJED C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(C2CC2)cc1 417354528 MBRFOPFPIULSJG-SZNDQCEHSA-N 302.421 4.774 30 20 DJED Cc1c(C#N)cccc1C(=O)N(C(C)C)[C@H](C)c1ccsc1 421695496 XGVFICGWJLTPTK-CQSZACIVSA-N 312.438 4.540 30 20 DJED C=CCN(C)C(=O)Nc1cc(Cl)ccc1-c1ccc(C)o1 434220801 PONHQSDWVSUPKK-UHFFFAOYSA-N 304.777 4.558 30 20 DJED N#C[C@@H]1CC[C@@H](N[C@@H](c2cccc(Cl)c2)C2CCCC2)C1 442836297 ZRFRRKGXLGFFME-FSPWUOQZSA-N 302.849 4.853 30 20 DJED Cc1ccc([C@@H]2CCCN2c2nc(C)c(C#N)cc2Cl)s1 461974155 SBVLGVSHKULOOH-AWEZNQCLSA-N 317.845 4.627 30 20 DJED CC(C)(C#N)c1ccccc1CSCc1nc2ccccc2[nH]1 486741880 XMNVKYQCCRLJQB-UHFFFAOYSA-N 321.449 4.797 30 20 DJED C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)[C@H]1c1ccccc1 487397956 VJIUAUZDXAQQRE-OXQOHEQNSA-N 304.437 4.681 30 20 DJED C[C@@H](CCc1ccccc1)SCCCC1(C#N)CCOCC1 507736643 XTEPRNJDFMOPQA-KRWDZBQOSA-N 317.498 4.841 30 20 DJED C=C(C)CCc1noc([C@@H](C)Oc2cc(C)ccc2Cl)n1 508615658 PMAPCOUACOCSOF-GFCCVEGCSA-N 306.793 4.680 30 20 DJED CCCc1ccc([C@H](NCc2ccc(C#N)cc2)C(C)C)cc1 512808536 CWQBZMNKXSOHIJ-OAQYLSRUSA-N 306.453 4.998 30 20 DJED C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2ccc(C#N)cc2)C1 513515740 QGJSUQIDIGUAPC-DNVCBOLYSA-N 319.408 4.563 30 20 DJED C=CCOCC(=O)Nc1ccc(SC2CCCCC2)cc1C 521461353 HHNLUCJJYSZMJF-UHFFFAOYSA-N 319.470 4.561 30 20 DJED C=CCN[C@@H](c1cccc(SC)c1)c1cc(F)ccc1F 531537017 SGFKFDBYVGFAED-KRWDZBQOSA-N 305.393 4.552 30 20 DJED C=CCCCCCN(C)C(=O)c1cc(C)n(C2CCCCC2)n1 540656984 SWXDPTHBSKIUDI-UHFFFAOYSA-N 317.477 4.515 30 20 DJED C=CCC(CC=C)c1nc(-c2cnc3ccccc3c2OC)no1 547146151 ARCLBEPRZXAARA-UHFFFAOYSA-N 321.380 4.529 30 20 DJED C=CCC(C)(C)c1noc(CSc2ccc(OCC)cc2)n1 551145080 YBMBSQMASDKEHS-UHFFFAOYSA-N 318.442 4.614 30 20 DJED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)Nc1ccccc1CC#N 558190560 QTTHNMROVCMXET-NVXWUHKLSA-N 318.420 4.681 30 20 DJED CC(C)(C)c1ccc(NC(=O)N2CCC(CCC#N)CC2)cc1 567107658 KVDRGYADRFEUOU-UHFFFAOYSA-N 313.445 4.532 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(C3CC3)c2)n1 580902380 JFFOTGGIQUBWKL-HNNXBMFYSA-N 310.422 4.634 30 20 DJED N#CCCCCCC(=O)Nc1cccc(C#Cc2cccs2)c1 588148718 GVJAMDWBXMXVIH-UHFFFAOYSA-N 322.433 4.560 30 20 DJED CC(C)C(C)(C)NC(=O)Nc1ccccc1S[C@H](C)CC#N 609712972 UUMZRZMBYDOQEN-CYBMUJFWSA-N 319.474 4.637 30 20 DJED N#C[C@@H]1CCC[C@H](NC(Cc2ccccc2)Cc2ccccc2)C1 618570465 DGGRDFNTEKJOOR-RTWAWAEBSA-N 318.464 4.512 30 20 DJED C=CCC[C@H](N[C@@H](C)c1ccc2nc(O)oc2c1)c1ccccc1 671753744 IKFIPDBWSASOSU-YOEHRIQHSA-N 322.408 4.892 30 20 DJED C=CCC(CC=C)C(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 672163632 DLJGRGGKXGTJRX-AQNXPRMDSA-N 309.453 4.550 30 20 DJED Cc1cc(C=Nn2cnc3ccccc32)c(C)n1C1CCCCC1 725849228 XBICCQZCMYFFSP-UHFFFAOYSA-N 320.440 4.842 30 20 DJED CC(=NNc1ccccc1F)c1ccc(SC(F)F)cc1 734978695 SAKRVJSLXNXBQA-UHFFFAOYSA-N 310.344 4.977 30 20 DJED C#Cc1cccc(N(CC)C(=O)[C@H](C)c2ccc(Cl)s2)c1 749981804 SFDSOCVCZFGFFT-GFCCVEGCSA-N 317.841 4.539 30 20 DJED N#CCCCNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 752394837 ZPBIXTUSSJQWBN-UHFFFAOYSA-N 307.357 4.527 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)[C@@H](C)CCC(C)(C)C)n1 755714954 RIIMWTDSCKRHIU-QWHCGFSZSA-N 306.475 4.905 30 20 DJED C=CC[C@H](N[C@H](C)c1ccc(OC(F)F)cc1)c1ccncc1 766021390 SPYDWTLABARDRG-DYVFJYSZSA-N 318.367 4.651 30 20 DJED C=CCN(Cc1ccc2c(c1)COC2)Cc1ccc(Cl)s1 768193764 PFPYABWFBWCADF-UHFFFAOYSA-N 319.857 4.620 30 20 DJED C[C@@H](CCc1ccccc1F)C(=O)OCCCCC(C)(C)C#N 768736869 BQVKZSALKLWMOI-HNNXBMFYSA-N 319.420 4.658 30 20 DJED O=C(/C=C/c1nc2c(s1)CCCC2)c1ccc(Cl)cc1 776262253 FJVAUEGRPVTONZ-MDZDMXLPSA-N 303.814 4.571 30 20 DJED CCOc1ccc(C(=O)/C=C/c2ccc3cnccc3c2)cc1 782303659 NTAGNFPNFBECCX-ONNFQVAWSA-N 303.361 4.530 30 20 DJED COc1ccccc1-c1ccc(/C=C/C(=O)c2cncs2)cc1 787170741 BBFVMRQWEMUQBW-DHZHZOJOSA-N 321.401 4.715 30 20 DJED CCCc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1 792833469 ZRJLYBQIVXVPDP-GOSISDBHSA-N 306.409 4.665 30 20 DJED C=CCC(C)(C)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 796762854 KFKHDEJWZJZMIK-HNNXBMFYSA-N 324.449 4.897 30 20 DJED COc1ccccc1CON=C[C@@H](C)c1cccc(Cl)c1 799118285 XXVXFGSIGBUVOQ-CYBMUJFWSA-N 303.789 4.655 30 20 DJED C=CCCCCCCNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 805220999 IWCPPCIADFEHLW-KGLIPLIRSA-N 305.384 4.608 30 20 DJED COc1cc(/C=C2\C(=O)c3ccccc3[C@@H]2C)ccc1SC 809159403 OUDDWWFQBWMYOY-KPENOIPVSA-N 310.418 4.801 30 20 DJED Cc1ccc(-c2n[nH]cc2/C=C\C(=O)c2cc(F)ccc2F)cc1 810231704 KYTFPZFMLLWWIZ-TWGQIWQCSA-N 324.330 4.559 30 20 DJED CCc1cnccc1C(=O)/C=C/C(C)=C/c1ccccc1COC 814189293 ACEIRTBQHHXQKM-FVTBZGPOSA-N 321.420 4.633 30 20 DJED CC(C)[C@@H](Cc1ccccc1)NN=C1CCC[C@H]1C(C)(C)C#N 814906799 KHYXQBILEAGKJZ-IEBWSBKVSA-N 311.473 4.549 30 20 DJED C#CC[C@@H](NCc1ccc(C(C)C)nc1CC)c1ccccc1 815083128 IQPLRHSSDSHSHZ-OAQYLSRUSA-N 306.453 4.622 30 20 DJED C=CCN(C(=O)c1ccc(-c2ccc(F)cc2)s1)C(C)C 915153423 LAAMAFIIEZXLQC-UHFFFAOYSA-N 303.402 4.591 30 20 DJED O=C(/C=C\c1ccc(F)cc1F)c1cccc(Br)c1 916134332 NJSMKEWSAIOBQN-ALCCZGGFSA-N 323.136 4.623 30 20 DJED CCCCCCCCCCC(=O)N1CCC(n2cccn2)CC1 918072968 RBOSHFJIQNOLMU-UHFFFAOYSA-N 319.493 4.577 30 20 DJED CCc1ccc([C@H](C)CC(=O)O[C@H](C)c2ccc(C#N)cc2)cc1 1126712749 KNJCKTNUFWUKFF-HZPDHXFCSA-N 321.420 4.919 30 20 DJED CC(C)[C@@H]1C[C@@H](OC(=O)c2cc(C#N)ccc2F)c2ccccc21 1128632430 CBVCGKPFJYGMSA-QFBILLFUSA-N 323.367 4.739 30 20 DJED Cc1ccnc(N(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)c1C#N 1162717921 PZLKKZGBPXETMJ-ZIAGYGMSSA-N 313.832 4.544 30 20 DJED C[C@]1(c2ccccc2)CC[C@@H](Nc2ccc(OCC#N)cc2)C1 1255466866 DQRPQNIPMYGXQM-QUCCMNQESA-N 306.409 4.511 30 20 DJED N#Cc1c(CSCc2ccccc2Cl)cn2ccccc12 1307330577 XBEPGONEFNQDFB-UHFFFAOYSA-N 312.825 4.898 30 20 DJED CC(C)(C#N)CCCN1CCC[C@@]1(C)Cc1ccccc1F 1307871833 HYNHXBREVJPWLK-IBGZPJMESA-N 302.437 4.553 30 20 DJED CC(C)(CC#N)CNC(=O)Nc1ccccc1Oc1ccccc1 1310079572 VEMKYVMRYOCECT-UHFFFAOYSA-N 323.396 4.540 30 20 DJED CC[C@@H](C)N(CC)C(=O)Nc1ccccc1SC[C@H](C)C#N 1333196704 WPZBOAJQRGRSOF-ZIAGYGMSSA-N 319.474 4.591 30 20 DJED CN(C(=O)CC1(C#N)CCCCC1)[C@H]1CCC[C@@H]1c1ccccc1 1436656528 PWFSTTZPHOIDMF-MOPGFXCFSA-N 324.468 4.645 30 20 DJED Cc1ccc([C@H]2CCC[C@H]2N(C)Cc2ccc(F)c(C#N)c2)cc1 1459555605 BYPQQGKAUIUWGL-TZIWHRDSSA-N 322.427 4.774 30 20 DJED CC1(C)CCCC[C@H]1CC(=O)N(CCC#N)c1ccc(F)cc1 1464854303 KABNCQADBCZHDM-HNNXBMFYSA-N 316.420 4.679 30 20 DJED N#CCc1cccc(NCc2c(Cl)ccc3cccnc23)c1 1474149334 LIJKWKDMBMGADA-UHFFFAOYSA-N 307.784 4.566 30 20 DJED Cc1oc2ccccc2c1CN(C)[C@@H](C)c1cccc(C#N)c1 1474591675 ORCWZUYRJKERRG-AWEZNQCLSA-N 304.393 4.806 30 20 DJED Cc1ccc(C(=O)OCc2cc(Cl)ccc2Cl)cc1C#N 1515320749 UYFACCNMCZKBTB-UHFFFAOYSA-N 320.175 4.531 30 20 DJED CCCc1ccc(C(=O)N(C)c2cc(Cl)ccc2C#N)s1 1516250911 RISRPMRSHAQWBG-UHFFFAOYSA-N 318.829 4.502 30 20 DJED CCC[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C 1523656161 OFZMXIRTODJSEF-ZDUSSCGKSA-N 318.486 4.899 30 20 DJED C[C@@H]1CCc2sc(NC(=O)c3ccsc3)c(C#N)c2[C@@H]1C 1527166677 YXEHQNYAIJWMGU-NXEZZACHSA-N 316.451 4.619 30 20 DJED C[C@H](OC(=O)[C@@H](C)c1ccc(Cl)cc1)c1cccc(C#N)c1 1534850351 YTLLYXXNUOTLGS-STQMWFEESA-N 313.784 4.620 30 20 DJED N#Cc1cnc(N2CC3(CCCC3)[C@@H]2c2ccccc2)c(Cl)c1 1559206613 IBAHKQGSZKTBCA-KRWDZBQOSA-N 323.827 4.728 30 20 DJED Cc1nc(N2c3ccccc3C(C)(C)[C@@H]2C)c(Cl)cc1C#N 1559236789 SIOGOXQHLYEEQO-LBPRGKRZSA-N 311.816 4.733 30 20 DJED N#Cc1cc(CN2C[C@H]3CCCC[C@]32c2ccccc2)ccc1F 1559603722 HFVJWBMKXYECNR-CTNGQTDRSA-N 320.411 4.599 30 20 DJED Cc1c(C(=O)Nc2cc3ccccc3cc2C#N)ccn1C(C)C 1583717081 JTDQOLQRTUXBIK-UHFFFAOYSA-N 317.392 4.655 30 20 DJED N#Cc1nc(S[C@H]2CCCc3ccccc32)sc1Cl 1612093213 GBHDMZMNVPZBFL-LBPRGKRZSA-N 306.843 4.838 30 20 DJED C=C(Cl)CNC(=O)c1ccccc1Nc1cccc(C)c1C 1618046694 CZZQKERTTJCNRL-UHFFFAOYSA-N 314.816 4.529 30 20 DJED COc1ccc(CN(Cc2ccc(C#N)c(C)c2)C(C)(C)C)cc1 1621372197 QNFJNGMGHFYZOC-UHFFFAOYSA-N 322.452 4.676 30 20 DJED N#CCC[C@@H](Nc1cc(-c2ccccc2)ncn1)c1ccccc1 1642472410 ZQVXGVNHFSZNQN-GOSISDBHSA-N 314.392 4.601 30 20 DJED Cc1cc(CN[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)ccc1C#N 1651227852 NOWMPJAJNCZQJD-YLJYHZDGSA-N 324.855 4.946 30 20 DJED C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)Nc1ncccc1C#N 1651654668 LIIBWQSMZKFVJV-VXGBXAGGSA-N 319.330 4.576 30 20 DJED CCC[C@H]1[C@H](C)CCCN1c1ccc(C#N)c(Br)c1 1655191561 GBILVASPYZSYMN-WBMJQRKESA-N 321.262 4.726 30 20 DJED Cc1ccc(OC(F)F)c(CSc2ccccc2C#N)c1 1656292346 YOZCQZDVDURULS-UHFFFAOYSA-N 305.349 4.760 30 20 DJED C=CCN(Cc1cccs1)C(=O)Cc1cccc2ccccc12 60677755 QZRWNMGUKMXICN-UHFFFAOYSA-N 321.445 4.659 30 20 DJED C[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1ccc(C#N)cc1 118397747 YKCHZUSMOKYMPT-VLIAUNLRSA-N 308.400 4.889 30 20 DJED C[C@H](NCc1cc(C#N)ccc1F)c1ccc(Cl)c(Cl)c1 120103075 SAUCCRCMSNMLHY-JTQLQIEISA-N 323.198 4.855 30 20 DJED Cc1cc(Cl)ccc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 155815079 CMBYYBMMODREJY-CYBMUJFWSA-N 318.829 4.718 30 20 DJED CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1C 172103338 PJMYMORIDJXGDM-MRXNPFEDSA-N 321.424 4.699 30 20 DJED C[C@@H](N[C@H](C)c1cc2ccccc2o1)c1ccc(OCC#N)cc1 188066803 OODVAAYGODQLJX-HUUCEWRRSA-N 320.392 4.747 30 20 DJED CC1(C#N)CCN(C(=O)Nc2ccccc2-c2ccccc2)CC1 272479652 FWFKKJPSMMSPTP-UHFFFAOYSA-N 319.408 4.511 30 20 DJED CCCCCCC[C@H](CC(=O)O)NC/C=C/c1ccc(F)cc1 277278201 LUFBBMSQRBXQRW-LKGOPFMKSA-N 321.436 4.632 30 20 DJED CC[C@@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1ccc(C#N)cc1 296586304 USYMPOSYZNZWAK-NIKGAXFTSA-N 306.409 4.511 30 20 DJED CC(C)n1ncc2cc(CSCCCC(C)(C)C#N)cnc21 419541414 IOVVTFWLJITRRX-UHFFFAOYSA-N 316.474 4.575 30 20 DJED C=C(C)CN(C)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 477609140 DBYQJHMOUUOWPI-UHFFFAOYSA-N 317.458 4.634 30 20 DJED COc1cccc([C@H](C)N[C@H]2CCCCc3cc(C#N)ccc32)c1 481922510 PEOWVEBINYXVKP-BTYIYWSLSA-N 320.436 4.685 30 20 DJED Cc1cccc([C@@H]2CCCCCN2C(=O)c2ccc(C#N)s2)c1 487043223 HTWMMKACMOAFBL-KRWDZBQOSA-N 324.449 4.686 30 20 DJED C=CCC[C@H](C(=O)Nc1ccccc1OCC)c1ccccc1 487593633 XJEQXCKUAMNASU-KRWDZBQOSA-N 309.409 4.774 30 20 DJED Cc1nc(SCc2ccc(CC#N)cc2)[nH]c1-c1ccccc1 488231517 LVDMELAHDFCKNG-UHFFFAOYSA-N 319.433 4.744 30 20 DJED CC(C)CN(C(=O)c1coc2ccccc12)c1ccc(C#N)cc1 499459774 FUXUJWUDBIRCAJ-UHFFFAOYSA-N 318.376 4.607 30 20 DJED C[C@@H](SCCOc1cccc(C#N)c1)c1ccccc1F 507880628 OLPZPQQRGRSRMY-CYBMUJFWSA-N 301.386 4.571 30 20 DJED C=C(C)CCc1noc(CCC(=O)c2ccc3ccccc3c2)n1 508642618 BJUZXQIWCWHHSJ-UHFFFAOYSA-N 320.392 4.547 30 20 DJED N#Cc1cnc(Oc2ccc(Cc3ccccc3)cc2)c(Cl)c1 513630733 SAFJQABXOWWYBI-UHFFFAOYSA-N 320.779 4.990 30 20 DJED C[C@H](N[C@@H](c1ccccc1)C1CCC1)c1ccc(C#N)c(F)c1 537406671 JPPYPGVXGILCRP-XOBRGWDASA-N 308.400 4.889 30 20 DJED N#Cc1ccc(CNC2(c3cccc(Cl)c3)CCCC2)s1 540624041 NWBHKLTUPXBQSO-UHFFFAOYSA-N 316.857 4.832 30 20 DJED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cc(F)ccc1F 552969309 LSVLGQPOTVTIIY-BUXKBTBVSA-N 312.363 4.565 30 20 DJED CC[C@H](NC1(c2cccc(OC)c2)CCC1)c1ccc(C#N)cc1 595092929 BGKTXXQRKBNBMR-FQEVSTJZSA-N 320.436 4.687 30 20 DJED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H](C)CC(C)(C)C 604486376 YUORXCYQXDXFRV-MRXNPFEDSA-N 312.457 4.535 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2Nc1nc(-c2ccccc2)cs1 618694540 QLTRUWCEYVLVEE-KRWDZBQOSA-N 317.417 4.781 30 20 DJED Cc1ccc(C(=O)/C=C/c2c[nH]nc2-c2cccc(C)c2)cc1 728785405 FQQCSRPZTSIZFY-ZHACJKMWSA-N 302.377 4.590 30 20 DJED CC(C)(C)CCCC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730418172 RQUZJHBNDTZQTD-GFCCVEGCSA-N 318.417 4.828 30 20 DJED CC[C@H](CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)C(C)C 730418656 YDBVHFMQWRSWKO-YPMHNXCESA-N 318.417 4.684 30 20 DJED CC(C)(C)c1nc(C#N)c(NN=C2CCC[C@@H]2c2ccccc2)o1 732528722 WDCDSCWOHKFFCZ-CQSZACIVSA-N 322.412 4.579 30 20 DJED Cc1cc(F)ccc1C(=O)/C=C\c1cnc(C(C)(C)C)s1 736433263 BFGOXSILDPJLKA-VURMDHGXSA-N 303.402 4.784 30 20 DJED N#Cc1ccc(SCc2cc(Cl)nc(Cl)c2)c(F)c1 741448322 UIUPIQZBLMOHRL-UHFFFAOYSA-N 313.184 4.691 30 20 DJED Cc1ccc(-c2nc(/C=C3/Cc4cc(F)ccc4C3=O)co2)cc1 749893321 GLNMPGWTUYAAJQ-GDNBJRDFSA-N 319.335 4.612 30 20 DJED C#Cc1cccc(NC(=O)[C@H](C)c2c(Cl)cccc2Cl)c1 751073560 VJCJODCDRZQBAB-LLVKDONJSA-N 318.203 4.717 30 20 DJED O=C(/C=C\c1cccc(-c2cccnc2)c1)c1cc(F)cc(F)c1 768490424 PIZQEGDRVMWRFF-SREVYHEPSA-N 321.326 4.923 30 20 DJED O=C(/C=C/c1ccccc1OCc1ccccc1)c1cscn1 769259492 HUXQBGQWYUGPLN-ZHACJKMWSA-N 321.401 4.618 30 20 DJED O=C1/C(=C\c2cc(Cl)cs2)CCOc2ccc(F)cc21 782322680 HQMGBJNYVNOCRY-UITAMQMPSA-N 308.761 4.589 30 20 DJED CC[C@H](C)CON=C(Cc1ccccn1)c1ccc(Cl)cc1 793159756 RHBWMHOEFSPIHN-AWEZNQCLSA-N 316.832 4.745 30 20 DJED CC1(C)C/C(=C/c2cccc(OCC#N)c2)C(=O)c2ccccc21 794967610 GMCPMLGNUGMFAJ-VBKFSLOCSA-N 317.388 4.537 30 20 DJED CCCC(C)=NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1 794980938 IPTBONNZJXZBAR-UHFFFAOYSA-N 322.334 4.750 30 20 DJED CCc1ccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)s1 797568989 ZFSVLLQCUIXVRC-NSHDSACASA-N 318.467 4.555 30 20 DJED C=CC[C@@H](CC)NC(=O)c1c(Cl)ccc(Cl)c1Cl 798550918 ICQFOQYZOAWUKG-MRVPVSSYSA-N 306.620 4.731 30 20 DJED N#Cc1sc(N[C@H](c2ccccc2)C2CCC2)nc1Cl 804430621 CDOLOXUHANCHAP-CYBMUJFWSA-N 303.818 4.621 30 20 DJED C=CCCCCCCCNC(=O)Nc1c(C)noc1C1CC1 809890195 WMIVJSIFHYJHON-UHFFFAOYSA-N 305.422 4.509 30 20 DJED O=C(/C=C\c1ccccc1C1CC1)c1cc([N+](=O)[O-])ccc1F 814191403 POXSXDBULNVIIY-YFHOEESVSA-N 311.312 4.507 30 20 DJED CC(=NNc1nnc(-c2ccccc2)s1)C1CCCCC1 814947251 IQNKDXXXBDYNIR-UHFFFAOYSA-N 300.431 4.573 30 20 DJED CCCCCCCCCC(=O)N1Cc2ccc(C(C)=O)cc2C1 839819721 ZFAUYNGEYWAELC-UHFFFAOYSA-N 315.457 4.872 30 20 DJED CC(C)(CC#N)CN[C@@H](CCc1ccccc1)c1ccccc1O 840788328 ZFQWACVTBDIDNX-IBGZPJMESA-N 322.452 4.596 30 20 DJED CCCCCCCC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 886836824 QOAWPDASEINZGE-INIZCTEOSA-N 323.502 4.616 30 20 DJED C=CC(C)(C)CC(=O)Nc1cc(NC(=O)CCC)ccc1Cl 889784736 UWROTKPVPCCMBY-UHFFFAOYSA-N 322.836 4.619 30 20 DJED C[C@H]1C[C@@H]1c1ccc(C=NNCc2ccc(C(F)(F)F)cc2)o1 915971924 GCOLQWTXSQHBAY-NHYWBVRUSA-N 322.330 4.546 30 20 DJED Cc1cc(N(C)C)ccc1N=Cc1cc(Cl)cc(Cl)c1O 915979231 NISHMDQISHMCBL-UHFFFAOYSA-N 323.223 4.824 30 20 DJED O=C(/C=C\c1cn2cc(Cl)ccc2n1)c1ccccc1Cl 920755335 IMFYRKVYVMAJES-SREVYHEPSA-N 317.175 4.537 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)CCC1(C)CC1 932392383 IJMZHDANIOXIEB-CYBMUJFWSA-N 302.443 4.600 30 20 DJED N#Cc1ccc(F)cc1CSc1ncc(-c2ccccc2)o1 1116259211 AOPFVUYWKDJHJD-UHFFFAOYSA-N 310.353 4.645 30 20 DJED C=CCC(C)(C)c1noc(-c2cc(C)nc3cc(F)ccc23)n1 1117750113 IZPLXVKNLXCETD-UHFFFAOYSA-N 311.360 4.586 30 20 DJED CCC[C@]1(C)CCCN(c2c(Br)cccc2C#N)C1 1162631954 YMHSJCLXTPDUQO-MRXNPFEDSA-N 321.262 4.727 30 20 DJED C[C@H](Nc1nc(C#N)c(Cl)s1)c1ccc(Cl)s1 1185969067 LAUXVCIRLHWNGF-YFKPBYRVSA-N 304.227 4.556 30 20 DJED C[C@H]1CCCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)[C@H]1C 1205528188 FEDCYTPMSXITSL-RYUDHWBXSA-N 319.474 4.570 30 20 DJED CN(Cc1cccc(Oc2ccc(F)cc2)c1)CC(C)(C)C#N 1205960653 XGXQDLCRQKOSCD-UHFFFAOYSA-N 312.388 4.600 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@@H]1c1ccccc1Cl 1233083117 VBOUNODZPJJWME-LJQANCHMSA-N 310.828 4.857 30 20 DJED CC(C)[C@@H]1CCCCCN1C(=O)C[C@H](CC#N)c1ccccc1 1266690703 BKECJUAQAKAEHZ-OALUTQOASA-N 312.457 4.501 30 20 DJED CC(C)(C#N)CCN(Cc1ccccc1F)C1CCCCC1 1307593035 UOXYVMMFTOCIEL-UHFFFAOYSA-N 302.437 4.900 30 20 DJED CC(C)(C)C[C@H]1CCN(C(=O)Nc2ccc(C#N)cc2)C1(C)C 1309984381 GVGTXWFDYPVOLR-OAHLLOKOSA-N 313.445 4.627 30 20 DJED C[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(F)c2)c2ccccc21 1310842255 NIMCRIUPAFOOLP-CYBMUJFWSA-N 323.371 4.633 30 20 DJED CCc1cc(C#N)c(NC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)s1 1358293644 LJEFIKFYPGKEPI-STQMWFEESA-N 318.486 4.973 30 20 DJED C[C@H](CC1CCCCC1)C(=O)N(C)c1cc(Cl)ccc1C#N 1457414953 ZUQINIRVYSLUKR-CYBMUJFWSA-N 318.848 4.781 30 20 DJED C[C@@H]1CCC[C@@H](C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1460571076 QIPQJRZBCIDABG-VXGBXAGGSA-N 304.459 4.682 30 20 DJED N#Cc1cccc(N[C@@H]2CCc3ccc(-c4ccccc4)cc32)n1 1472762776 KRURRKHKPGOQDX-HXUWFJFHSA-N 311.388 4.720 30 20 DJED CC[C@](C)(C#N)C(=O)Nc1cccc(-c2ccc(F)c(F)c2)c1 1521562187 RTJAGBGEWDOCHF-GOSISDBHSA-N 314.335 4.510 30 20 DJED CC(C)CCC[C@H](C)NCc1cc(C#N)ccc1Br 1560248362 NQYWCHBQEYTEPZ-ZDUSSCGKSA-N 323.278 4.625 30 20 DJED CCC1(CNc2c(Br)cccc2C#N)CCCC1 1612135941 YGIAKEBOQLXMRT-UHFFFAOYSA-N 307.235 4.703 30 20 DJED CC[C@H](NCc1cc(Cl)ccc1OCC#N)C1CCCCC1 1616636447 MOLDTNLGTKYDKB-KRWDZBQOSA-N 320.864 4.691 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)Nc1cc(F)cc(C#N)c1 1624288017 XHHFCCRYDRAMAL-OAHLLOKOSA-N 302.393 4.632 30 20 DJED CC(C)(C)[C@@H](NC(=O)Nc1sccc1C#N)c1ccccc1 1626074454 QMNXLGMCXSZUNU-AWEZNQCLSA-N 313.426 4.529 30 20 DJED N#Cc1c(F)cccc1Nc1ccc2c(c1)OC1(CCCCC1)O2 1649989781 QHIHTDPITYGXCL-UHFFFAOYSA-N 324.355 4.873 30 20 DJED CC(C)CN(Cc1ccc(Cl)cc1C#N)c1cccc(O)c1 1653482324 LPZYKRXLZFSIIG-UHFFFAOYSA-N 314.816 4.580 30 20 DJED N#C[C@H]1CCC[C@H](Nc2cc(Cl)cc(C(F)(F)F)c2)C1 1659505845 HZYHXKWMXHISEI-CABZTGNLSA-N 302.727 4.853 30 20 DJED CC1(C)CCCC(=NNc2ccc(Cl)c(C(=O)O)c2)CC1 1776034020 GWQLGBUVPYOYSM-UHFFFAOYSA-N 308.809 4.796 30 20 DJED CC(C)=CCC[C@@H](C)CC=NNc1ccc(C(=O)O)c(F)c1 1776073075 BIQYDPQDNWCVKF-CYBMUJFWSA-N 306.381 4.694 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCc1cccnc1Cl 81157900 AGJWNAQASBDFTK-LBPRGKRZSA-N 317.845 4.741 30 20 DJED CC(C)(C#N)CCCN[C@@H](c1ccccc1)c1cccc(F)c1 154332325 CPVLJLQPRCAGLV-IBGZPJMESA-N 310.416 4.835 30 20 DJED CCN(C(=O)c1cc(C)sc1C)c1ccc(C#N)c(Cl)c1 156581644 QBBUJZSPOXLGQP-UHFFFAOYSA-N 318.829 4.557 30 20 DJED CC(C)[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(F)cc1F 181893780 LHDIEKJWJBBFDE-BFUOFWGJSA-N 314.379 4.884 30 20 DJED N#C[C@H]1CCC[C@@H](Nc2cccc(C3SCCS3)c2)C1 185736480 NYBJRPMEOCESJS-GXTWGEPZSA-N 304.484 4.659 30 20 DJED CC(C)(C#N)CCCCSc1ccc(C(F)(F)F)cn1 232524001 CACWMBUFFJGXGO-UHFFFAOYSA-N 302.365 4.913 30 20 DJED C#Cc1cccc(NC(=O)Nc2ccc(Cl)cc2Cl)c1 302960686 QCAOXVPUNRCYDS-UHFFFAOYSA-N 305.164 4.619 30 20 DJED CCC1(C(O)=Nc2nc(C3CCOCC3)cs2)CCCCC1 329177135 CDZWBMLJAOKSTJ-UHFFFAOYSA-N 322.474 4.986 30 20 DJED Cc1nc(-c2ccccc2NCc2cccc(C#N)c2F)cs1 359599226 NPIKGBPMKXRCRO-UHFFFAOYSA-N 323.396 4.741 30 20 DJED Cc1ccc(F)cc1C(=O)Nc1sc(C(C)(C)C)cc1C#N 411005375 FMWXOCRHFQSQLE-UHFFFAOYSA-N 316.401 4.617 30 20 DJED C[C@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccc(C2CC2)cc1 417362283 ZXTNJMMKCHFTDT-KBPBESRZSA-N 308.400 4.987 30 20 DJED CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1ccc(C#N)cc1Cl 426142556 ZXTUGGSWUGDNFE-BLLLJJGKSA-N 319.836 4.644 30 20 DJED CCSc1cccc(CN[C@H](CC)c2ccc(C#N)cc2)c1 426348770 BZOVUXNMWVJWBV-LJQANCHMSA-N 310.466 4.911 30 20 DJED C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12 431150669 GYYNIIQZEQWLAL-VQTJNVASSA-N 305.421 4.580 30 20 DJED C=CCC[C@H](NC(=O)C1CC=CC1)c1ccc(C(F)(F)F)cc1 441579106 ZLNCTCJFJJHADU-INIZCTEOSA-N 323.358 4.795 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1ccc(C(F)F)cc1 460772471 ZQJZPWBSVFMBSH-UHFFFAOYSA-N 316.351 4.895 30 20 DJED C=CCCOCCCCC(=O)N1CC[C@H](C)C2(CCCCC2)C1 463043560 NKSQEEAQYSFCCO-SFHVURJKSA-N 321.505 4.568 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1ccc(C2CCCC2)cc1 464461204 NPCWEJWXAMOTOI-UHFFFAOYSA-N 312.457 4.889 30 20 DJED C=CC[C@H](C)[C@@H](C)NCc1ccnc(Oc2ccccc2F)c1 494460542 ZMUIEQXZIYZPQK-LSDHHAIUSA-N 314.404 4.703 30 20 DJED C=C(C)COc1cccc(NC(=O)N[C@H](C)c2ccccc2)c1 504055984 PAONBBZVKITTLV-OAHLLOKOSA-N 310.397 4.524 30 20 DJED N#CCC[C@H](C#N)CNc1cc(Cl)ccc1OC1CCCC1 516966008 FGVYKUTYTWCNFM-CYBMUJFWSA-N 317.820 4.517 30 20 DJED C=C[C@H](CC(=O)N(C)C[C@@H](C)c1ccccc1)c1ccccc1 536114197 OATXAHOWUHDLFA-QZTJIDSGSA-N 307.437 4.608 30 20 DJED CC[C@H](NCc1cccc(C#N)c1F)c1ccc(Cl)cc1 538128354 AVNGMDVLOGYLKZ-INIZCTEOSA-N 302.780 4.592 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1ccc(C(C)C)s1 544817785 ZESFVCRHVSACPN-UHFFFAOYSA-N 305.468 4.761 30 20 DJED CC[C@@H](CC#N)NCc1ccc(-c2ccc(Cl)cc2)s1 545875134 GXYNUTPZJNBUKH-AWEZNQCLSA-N 304.846 4.850 30 20 DJED C=C[C@](C)(CC)C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 557932145 ZETABMZNHZVTMW-MGPUTAFESA-N 324.424 4.653 30 20 DJED N#Cc1ccnc(Oc2ccc(Oc3ccccc3)nc2)c1Cl 561341773 PKPMBCYBJJVBNW-UHFFFAOYSA-N 323.739 4.586 30 20 DJED N#CC[C@@H](Cc1nc(-c2cccc(Cl)c2)no1)c1ccccc1 579727069 LFMSLTYVFISWLP-AWEZNQCLSA-N 323.783 4.630 30 20 DJED CCC(C)(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 608848019 SGXKPJSYSACZST-UHFFFAOYSA-N 308.381 4.725 30 20 DJED CCCCc1ccc(C(=O)N(CCC#N)c2ccc(F)cc2)cc1 609522208 BPUZPPQPVBSGAS-UHFFFAOYSA-N 324.399 4.729 30 20 DJED CC(C)c1nc2ccc(NCc3cc(C#N)cs3)cc2s1 610910522 LBFNFISRFDWBIR-UHFFFAOYSA-N 313.451 4.965 30 20 DJED C=CCN(C(=O)C1CC2(CC2)C1)c1nc(-c2ccccc2)cs1 622769124 WSHNDKIHFKVKBY-UHFFFAOYSA-N 324.449 4.519 30 20 DJED CCc1oc2ccccc2c1/C=C\C(=O)c1ccc2c(c1)COC2 742434988 PDRWNJJVLHZRSA-KTKRTIGZSA-N 318.372 4.922 30 20 DJED CC[C@@H](C)Oc1cccc(NCc2ccc(O[C@@H](C)C#N)cc2)c1 747099043 IEXAQJFYYVXKMW-CVEARBPZSA-N 324.424 4.767 30 20 DJED Cc1ccsc1CCCC(=O)O[C@H](C)c1ccc(C#N)cc1 748876430 GBJRUWBQPAGZKL-CQSZACIVSA-N 313.422 4.555 30 20 DJED O=[N+]([O-])c1ccc(NN=Cc2ccccc2C2CC2)c(Cl)c1 751133613 QBRATPMNIRQDLP-UHFFFAOYSA-N 315.760 4.572 30 20 DJED Cc1ccc2cc(C(=O)/C=C/c3ccc(F)c(C#N)c3)oc2c1 754831136 WUVZSEHDTRWPBX-QPJJXVBHSA-N 305.308 4.648 30 20 DJED O=C(/C=C/c1sccc1Br)c1cccc(F)c1 764914518 FURZBFLCDYKWKG-SNAWJCMRSA-N 311.175 4.546 30 20 DJED CC(=NNc1c(C)cccc1F)c1[nH]c(-c2ccccc2)nc1C 769828949 YWYKTAVYOVRXBF-UHFFFAOYSA-N 322.387 4.669 30 20 DJED CC(C)Oc1ccc([C@@H]2CCCC2=NO[C@H]2CCCCO2)cc1 776774933 DGCBFODCFDWQRK-HKUYNNGSSA-N 317.429 4.641 30 20 DJED FCc1ccc(CON=Cc2ccccc2C(F)(F)F)cc1 777538648 LQFMDIYZGBULDI-UHFFFAOYSA-N 311.278 4.726 30 20 DJED CCCn1nc(C)c(/C=C/C(=O)c2csc(Cl)c2)c1C 787185798 IYRQOSJUECLZMA-AATRIKPKSA-N 308.834 4.521 30 20 DJED CCCCCCCC(=O)N[C@@H](c1ccc(C)cc1)c1ccccn1 791952752 ZIKWEKYLJTUWMA-NRFANRHFSA-N 324.468 4.956 30 20 DJED N#C[C@@H](C(=O)[C@H](F)CC1CCCCC1)c1ccc2ccccc2n1 796629527 QBTDUWQAYHPMNC-IAGOWNOFSA-N 324.399 4.720 30 20 DJED Cc1cccc(Oc2ccccc2C(=O)OCCCCC#N)c1 799554865 ITCDIPDJVZOOJY-UHFFFAOYSA-N 309.365 4.638 30 20 DJED C#C[C@H](NCc1sccc1Cl)c1ccc(Cl)cc1F 809699210 LOWMZFVAFOHHEN-ZDUSSCGKSA-N 314.212 4.658 30 20 DJED CC(C)O[C@@H](CNc1ccccc1O[C@@H](C)C#N)c1ccccc1 877183706 HJTXKYSQAQRKFG-JXFKEZNVSA-N 324.424 4.556 30 20 DJED Cc1ccc(-c2ccc(C(=O)O[C@H]3CC[C@@H](C#N)C3)c(F)c2)cc1 1122637820 SIOSMADCTDOHFA-PBHICJAKSA-N 323.367 4.650 30 20 DJED C[C@H](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 1124359577 OVAJNOPSESXFJY-GFCCVEGCSA-N 304.821 4.757 30 20 DJED CN(C(=O)CC1(C#N)CCCCC1)c1cccc2ccccc12 1125393942 JOODYKBBSJLAIO-UHFFFAOYSA-N 306.409 4.667 30 20 DJED CN(Cc1ccc(CC#N)cc1)Cc1c(Cl)cccc1Cl 1190560966 NOBQBOUIXNVBGD-UHFFFAOYSA-N 319.235 4.691 30 20 DJED C=C(Cl)CN1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 1193525372 AREQGMONQQORSY-CYBMUJFWSA-N 321.795 4.548 30 20 DJED C[C@@H](CC1CCCCC1)NC(=O)Nc1ccc(C#N)c(Cl)c1 1197133182 UEOZLRIWGRNEPM-LBPRGKRZSA-N 319.836 4.692 30 20 DJED CC(C)CC[C@H]1CCCCN1C(=O)Nc1cc(C#N)ccc1F 1206056766 UYFFWNIRXLSKNN-OAHLLOKOSA-N 317.408 4.520 30 20 DJED CC[C@@H](C)CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 1264596787 JZFWJMRUDKNHBX-CQSZACIVSA-N 323.396 4.510 30 20 DJED Cc1ccccc1C1CCN(C(=O)CC2(C#N)CCCCC2)CC1 1268844763 QYZPXMIFDOVFEJ-UHFFFAOYSA-N 324.468 4.565 30 20 DJED CCCCn1c(SCc2ccc(C#N)cc2C)nc(C)c1C 1307287093 AARZJGSDZIDDHR-UHFFFAOYSA-N 313.470 4.772 30 20 DJED Cc1cc(CN[C@H]2C[C@@H](c3ccccc3)C[C@@H](C)C2)ccc1C#N 1308438176 NNJMNNUEFLYDIS-URZJWIJPSA-N 318.464 4.929 30 20 DJED C[C@@H](CC(C)(C)C#N)NCc1ccc(-c2ccco2)cc1F 1308736612 SHYFEIFQGBRXMI-ZDUSSCGKSA-N 300.377 4.504 30 20 DJED C=CCn1cnnc1S[C@@H](c1ccccc1)c1ccccc1C 1318344246 JHGJAVFSQHTNEZ-SFHVURJKSA-N 321.449 4.654 30 20 DJED C=CCCCC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 1323511900 QNYUOGSBODSQIA-UHFFFAOYSA-N 311.410 4.586 30 20 DJED CCC(CC)[C@@H](NC(=O)c1ccc(C)c(C#N)c1)c1ccccc1 1353908770 WTZIRPNXSRIVND-HXUWFJFHSA-N 320.436 4.774 30 20 DJED Cc1ccc([C@H]2CCCCN2C(=O)c2ccc(C)c(C#N)c2)cc1 1435220513 JMMGPFJEVXINEG-HXUWFJFHSA-N 318.420 4.543 30 20 DJED Cc1cccc(CC[C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c1 1462359479 WNXDNNYFYFVWGV-VGOFRKELSA-N 318.464 4.855 30 20 DJED CC[C@@H](C)Oc1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1 1524303448 YHTSMHQWXKXWFI-CABCVRRESA-N 323.392 4.654 30 20 DJED C[C@H](CC(=O)O[C@@H]1CCC[C@@H](C#N)C1)Cc1ccc(Cl)cc1 1535479633 VLNQAPOLJJAUJS-YSVLISHTSA-N 319.832 4.534 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 1584415127 JVYMQLFBNJQYLC-RARDXLECSA-N 324.468 4.684 30 20 DJED Cc1cc(CN[C@H](c2ccc(F)cc2)C(C)(C)C)ccc1C#N 1620759137 KQOORYBQUSSBEN-LJQANCHMSA-N 310.416 4.883 30 20 DJED Cc1cc(NC[C@H]2CCCC[C@@H]2c2ccccc2)ncc1C#N 1639916457 QWTZZHBLOLRKSW-IEBWSBKVSA-N 305.425 4.648 30 20 DJED Cc1cc(F)ccc1C1CCN(c2cccc(F)c2C#N)CC1 1639973275 VDNXGXMDEHIEOE-UHFFFAOYSA-N 312.363 4.529 30 20 DJED Cc1c(Cl)cnc(N2CC[C@H](C(C)(C)C)C[C@H]2C)c1C#N 1639985344 KRCUTRIQURHHND-YPMHNXCESA-N 305.853 4.566 30 20 DJED CSc1ccccc1COc1c(C)cc(Cl)cc1C#N 1652050753 LQHXGCKAKZVKQW-UHFFFAOYSA-N 303.814 4.821 30 20 DJED CCN(Cc1cccc2ncccc12)[C@@H](C)c1ccc(C#N)cc1 1652330245 ZVDYNPAAMYJYFN-INIZCTEOSA-N 315.420 4.690 30 20 DJED COc1ccc2ncc(C#N)c(OCC3CCC(C)(C)CC3)c2c1 1652933438 QNADOLJLDQXFDE-UHFFFAOYSA-N 324.424 4.710 30 20 DJED Cc1cc(C)c(/C=C/CN[C@@H](C)c2cccc(C#N)c2)cc1C 1658597144 WVSCEZHXALCBRH-YOCVDRLZSA-N 304.437 4.848 30 20 DJED CC(C)(C)[C@H]1CCC[C@@H](NCc2ccc(OCC#N)cc2)CC1 1661368099 ZKWVEWJEAJRSIV-ZWKOTPCHSA-N 314.473 4.674 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1csc(C)c1C 1776784444 NMYNQEMUDPWKTM-MRXNPFEDSA-N 311.491 4.658 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1csc(Cl)c1 1776784493 UOBQODKXHDNXRX-CYBMUJFWSA-N 317.882 4.695 30 20 DJED CCn1ccnc1SCc1ccc(-c2ccccc2C#N)cc1 23508828 GTDIVJPXBIBUCB-UHFFFAOYSA-N 319.433 4.734 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccccc1S[C@@H](C)CC#N 66955023 ULCJKUVMUMWSEQ-AWEZNQCLSA-N 317.458 4.511 30 20 DJED CCC(C)(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N 73083534 MJLWPKCCZUBILI-ZDUSSCGKSA-N 304.459 4.846 30 20 DJED C=CCC[C@@H](N[C@H](C)c1nc2ccccc2n1C)c1ccccc1 91400597 QURFPDQXUZGQRI-SJLPKXTDSA-N 319.452 4.931 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(Oc2ccncc2)cc1 128562641 AMZXARFBLNMINL-UHFFFAOYSA-N 308.381 4.581 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCCc1cccs1 155985143 BCZGJMDXQKURLE-CYBMUJFWSA-N 302.468 4.797 30 20 DJED C[C@H](c1ccccc1F)N(C)Cc1ccc(C#N)cc1Cl 162902181 IOGLDXRUPDOYAF-GFCCVEGCSA-N 302.780 4.544 30 20 DJED C=C[C@H](CC(=O)Nc1cncc(Cl)c1Cl)c1ccccc1 180121226 NSEXXMARJDTFHY-LLVKDONJSA-N 321.207 4.687 30 20 DJED C[C@H](N[C@@H]1c2ccccc2CC[C@H]1C)c1ccc(OCC#N)cc1 182090020 FERZNLYKXKZVNU-XFQAVAEZSA-N 320.436 4.563 30 20 DJED N#C[C@@H]1CCC[C@@H](Nc2cccc(CSc3ccccn3)c2)C1 185743345 MUDIHQZWSCZDHI-NVXWUHKLSA-N 323.465 4.868 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 186586029 USDNOJDAOAYRAI-LJQANCHMSA-N 318.420 4.786 30 20 DJED C=CCN(C(=O)c1nc(-c2ccco2)sc1C)c1ccccc1 252020998 YNXBIHMLSLTFGY-UHFFFAOYSA-N 324.405 4.544 30 20 DJED CC[C@H](C)N(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H](C)CC 280223647 BKDCTAHKKJENPN-GASCZTMLSA-N 300.446 4.527 30 20 DJED C[C@@H](Nc1ccc(Cl)c(C#N)n1)c1cc2ccccc2s1 301165672 HNFHYAHLJFMZCK-SNVBAGLBSA-N 313.813 4.994 30 20 DJED Cc1cccc([C@@H]2CCCN2Cc2ccc(F)cc2C#N)c1C 303958508 YKTUURXHVPMPDX-FQEVSTJZSA-N 308.400 4.651 30 20 DJED C[C@@H]1C[C@H](/C(O)=N/[C@@H]2CCC(O)=N[C@H]2C(C)(C)C)CC(C)(C)C1 329311471 ZTIUDDWBYHZFHQ-HLPPOEQASA-N 322.493 4.939 30 20 DJED Cc1cc(/C(O)=N/[C@@H](C)c2nc(C(C)(C)C)cs2)c(C)o1 330664907 YYGZTACDDRAQSA-JTQLQIEISA-N 306.431 4.716 30 20 DJED N#CC[C@@H](CC(=O)Nc1cccc(C(F)F)c1)c1ccccc1 355539198 CQKFBVHYCJWTGX-AWEZNQCLSA-N 314.335 4.650 30 20 DJED CC(C)(C)[C@@H]1CN(C(=O)c2cccc(CC#N)c2)c2ccccc21 443870886 VIVCSPDWGLATEY-GOSISDBHSA-N 318.420 4.543 30 20 DJED C[C@@H]1c2cc(F)cc(F)c2CCN1CCCCC(C)(C)C#N 444652177 WXLHMSNJKXWNLG-CYBMUJFWSA-N 306.400 4.604 30 20 DJED C=CC[C@H]1N(C(=O)Nc2cc(C)ccc2C)CCCC1(C)C 444811129 GLNBPPUNLWYWFO-QGZVFWFLSA-N 300.446 4.902 30 20 DJED CCOc1ccccc1[C@H](CC(C)C)Nc1ncccc1C#N 470876274 RDXFBTKLOLPIMU-KRWDZBQOSA-N 309.413 4.551 30 20 DJED CC1(C)CCC[C@H]1C(=O)N(Cc1ccco1)c1ccccc1C#N 483987017 OASNJIAFXOTUGM-KRWDZBQOSA-N 322.408 4.511 30 20 DJED Cc1cc(CNC(C)(C)c2cccc(Cl)c2F)ccc1C#N 488007280 IMUQZOQYNYXACR-UHFFFAOYSA-N 316.807 4.684 30 20 DJED CCN(Cc1cc(Cl)cs1)[C@H](C)c1ccc(C#N)cc1 495061536 TWFXNBGLHJLVGV-GFCCVEGCSA-N 304.846 4.856 30 20 DJED CCN(C(=O)C1C[C@H](C)C[C@@H](C)C1)[C@H](C)c1ccc(C#N)cc1 502727106 PEYUAJWYXRYXFR-BZUAXINKSA-N 312.457 4.540 30 20 DJED CC[C@](C)(C#N)c1nc(-c2ccc(-c3ccccc3)cc2)no1 504259435 IKTBPJAUOSKFKH-LJQANCHMSA-N 303.365 4.595 30 20 DJED C=CCOc1ccc(CN[C@@H](C)Cc2cccs2)cc1Cl 517547847 WKDZXUYKYDIEHW-ZDUSSCGKSA-N 321.873 4.687 30 20 DJED Cc1ccc(C)c2c(C)c(C(=O)N[C@]3(C#N)CCC[C@@H](C)C3)oc12 522642287 AOMMAPYPQPNANH-MPBGBICISA-N 324.424 4.560 30 20 DJED C[C@H](NCc1ccc(CC#N)cc1)c1cccc2ccccc12 544119093 QINPRAVQGRQDGG-INIZCTEOSA-N 300.405 4.757 30 20 DJED N#C[C@@H]1CC[C@H](N[C@@H](c2c(Cl)cccc2Cl)C2CC2)C1 549717688 JLBLABXUEUYOKL-RSAASHCRSA-N 309.240 4.726 30 20 DJED CCCC[C@@H](C)N(C)C(=O)c1ccccc1-c1ccccc1C#N 576274591 NMHCIJBYXUBGGG-MRXNPFEDSA-N 320.436 4.876 30 20 DJED CC#CCCCC(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1 577925784 GMLCSEFVSQQXEG-UHFFFAOYSA-N 323.358 4.642 30 20 DJED CC[C@H](C#N)c1ccc(-c2ccc(O[C@@H]3CCOC3)cc2)cc1 592985164 UQEXLGBQLMQBAC-FOIQADDNSA-N 307.393 4.538 30 20 DJED C[C@H](N[C@@H](C)c1ccc2ccccc2n1)c1cccc(C#N)c1 610830403 QJIBVHAERIEUMC-GJZGRUSLSA-N 301.393 4.518 30 20 DJED Cc1ccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c(F)c1 611092849 PZXWVTJHODVUPH-UHFFFAOYSA-N 323.154 4.565 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 642398305 ZIFAEHOASFWSOD-UHFFFAOYSA-N 318.779 4.699 30 20 DJED CC1(C)/C(=C\c2cc(F)c(F)c(F)c2)C(=O)c2ccccc21 727974300 IYZHUZSVPVPKHF-QPEQYQDCSA-N 302.295 4.661 30 20 DJED Fc1cccc(C=NNc2ccnc3cc(Cl)ccc23)c1F 730721428 FYZZZIWGPGXNOW-UHFFFAOYSA-N 317.726 4.612 30 20 DJED Cc1cccc(NN=Cc2ccc(Oc3cccnc3)c(C)c2)c1 732710950 VDMISQGDMVUKLA-UHFFFAOYSA-N 317.392 4.937 30 20 DJED CCOc1ccc(/C=C/C(=O)c2sccc2C)cc1OCC 733748765 JAESFUDCRPBWIP-SOFGYWHQSA-N 316.422 4.750 30 20 DJED C=CCNC(=S)Nc1cccc(CSC2CCCCC2)c1 734985548 DWPOBDVLXCYEEB-UHFFFAOYSA-N 320.527 4.725 30 20 DJED Fc1cccc(F)c1NN=Cc1csc(-c2cccs2)n1 735615215 LRTRXRVJRIIVFM-UHFFFAOYSA-N 321.377 4.596 30 20 DJED C#CC[C@@H](NCc1cccc(C(F)(F)F)c1)c1ccccc1 756998447 VRUODYMKAKJURX-QGZVFWFLSA-N 303.327 4.560 30 20 DJED C/C=C(/C=C\C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)CC 765456481 BPDUXQRIOVGLQL-ORNNYVHBSA-N 323.223 4.587 30 20 DJED COc1ccsc1C(=O)/C=C/c1ccccc1C(F)(F)F 769745025 VTLSKLJEZRNAAR-VOTSOKGWSA-N 312.312 4.672 30 20 DJED CCN(c1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1)C(C)C 776797252 NAVOQVRJAQADEM-INIZCTEOSA-N 307.441 4.966 30 20 DJED Cc1sc(C(=O)OCC(C)(C)C#N)cc1-c1ccc(F)cc1 781469039 GDQWAAVBWJGEQZ-UHFFFAOYSA-N 317.385 4.569 30 20 DJED CC(C)Oc1ccc([C@@H](C)Nc2nc(Cl)c(C#N)s2)cc1 804355199 SDQFUSUYZXNCMF-SNVBAGLBSA-N 321.833 4.628 30 20 DJED Cc1nnc(SCC2(C#N)CCCC2)n1[C@H]1CCC[C@H](C)C1 806592104 NEVAWGMNGWPUPQ-ZFWWWQNUSA-N 318.490 4.514 30 20 DJED CC(=C/c1ccccc1OC(F)F)/C=C/C(=O)c1cscn1 811694250 QVSAXMZKKQSJFD-VEQVDCDKSA-N 321.348 4.587 30 20 DJED Cc1cccc(C)c1NC(=S)N(C)[C@@H](C)c1cccc(C#N)c1 819028384 JYKILSYMFDTADS-HNNXBMFYSA-N 323.465 4.565 30 20 DJED C[C@@H](CC(C)(C)C#N)OC(=O)C[C@@H](C)c1c[nH]c2ccccc12 851205709 IVWALOAWKPSSQQ-KGLIPLIRSA-N 312.413 4.533 30 20 DJED C=CC(C)(C)CC(=O)NC(c1cccs1)c1cccs1 878899751 NEJCXPYUGWUNGV-UHFFFAOYSA-N 305.468 4.618 30 20 DJED CC[C@@H](N[C@H]1CCCOc2ccccc21)c1cccc(C#N)c1 902784271 RUPRMMDWUIYJNT-MOPGFXCFSA-N 306.409 4.513 30 20 DJED N#Cc1ccc(-c2ccc(OC(=O)C=C3CCCC3)cc2)cc1 917527087 SCSKGCQWVIAPBO-UHFFFAOYSA-N 303.361 4.631 30 20 DJED CC1(C)CCCC[C@H]1CC(=O)Nc1ccc(C#N)cc1Cl 1127041914 FBBSNBFDOQUFNF-ZDUSSCGKSA-N 304.821 4.757 30 20 DJED CCSc1ccccc1COc1cc(Cl)ccc1C#N 1188980062 NKRXWHWLQMHOLH-UHFFFAOYSA-N 303.814 4.903 30 20 DJED COc1ccc(C#N)cc1CN1C[C@H](C)CC[C@H]1c1ccccc1 1307756781 PIZXZYXWEWAYDQ-UZLBHIALSA-N 320.436 4.540 30 20 DJED CC1(C)CCC[C@H](CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 1308579090 TWLQMWDBHRILGM-DFQSSKMNSA-N 310.485 4.975 30 20 DJED CC[C@H](C)[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1435997666 DUBRSRMDHZNSCX-GJZGRUSLSA-N 322.408 4.971 30 20 DJED C[C@H]1CC(C(=O)N(c2cccc(C#N)c2)C2CCC2)C[C@H](C)C1 1437679092 ZUOWMKXQCCFYFX-HUUCEWRRSA-N 310.441 4.516 30 20 DJED Cc1c(Cl)cnc(N[C@H](c2ccc(F)cc2)C(C)C)c1C#N 1472766285 SOBOLSBMZODCPI-INIZCTEOSA-N 317.795 4.863 30 20 DJED CCC(CC)CN(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 1473574153 UIIYXBHXMSJRRY-ZDUSSCGKSA-N 312.379 4.856 30 20 DJED CCc1c(C)sc(NC(=O)C[C@H]2CCCC[C@H]2C)c1C#N 1520400189 QBEDFAFIPLYGAM-DGCLKSJQSA-N 304.459 4.646 30 20 DJED C[C@@H]1CC[C@H](C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)C1 1524020335 HFQRRIAZGFPBTK-LPWJVIDDSA-N 316.470 4.680 30 20 DJED C[C@@H](OC(=O)c1cccc(Cl)c1Cl)c1cccc(C#N)c1 1534849914 HVTXZYGBNGYRQW-SNVBAGLBSA-N 320.175 4.783 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2ccc(-c3ccc(C)o3)s2)c1 1535893203 SDQKILYQEFQHMR-UHFFFAOYSA-N 322.389 4.749 30 20 DJED CC[C@H](C)Oc1cc(CNc2cc(C#N)ccc2C)ccc1OC 1560498183 WSTMAIFJGTWBFV-HNNXBMFYSA-N 324.424 4.665 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)C1CCC(C)(C)CC1 1586415734 AMEACQLKWKWBBJ-UHFFFAOYSA-N 313.445 4.535 30 20 DJED CC(C)c1csc(SCc2cn3ccccc3c2C#N)n1 1614608320 WYGYMPQSMAHLQI-UHFFFAOYSA-N 313.451 4.683 30 20 DJED CC[C@@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)[C@@H]1C 1617361595 VXWZWQIKKRPXMT-SJLPKXTDSA-N 304.437 4.846 30 20 DJED C[C@H](c1cccc(C#N)c1)N1CCC(Cc2cccc(F)c2)CC1 1641525517 TYNYYNDFGCLDCW-MRXNPFEDSA-N 322.427 4.713 30 20 DJED CC(C)[C@@H](CNc1nc(C#N)c(Cl)s1)Cc1ccccc1 1650983802 NKJZPYARSYNHMB-CYBMUJFWSA-N 319.861 4.595 30 20 DJED Cc1ccc(SCc2ccc(-c3ccccc3C#N)cc2)nn1 1651826052 UIAVDWHAPRDDOQ-UHFFFAOYSA-N 317.417 4.616 30 20 DJED CC[C@H](S[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1 1652714451 CTTNGHDCVNEQRC-KSSFIOAISA-N 324.449 4.770 30 20 DJED Cc1ccc([C@H]2[C@@H](C)CCCN2Cc2cccc(C#N)c2F)cc1 1653438959 YOIMZLOAYDUGPM-HRAATJIYSA-N 322.427 4.979 30 20 DJED COc1cc(CNc2cc(C)cc(C#N)c2)cc2ccccc12 1657528883 WFTVEEKNCVXRHB-UHFFFAOYSA-N 302.377 4.641 30 20 DJED Cc1cc(CN[C@@H]2CCc3ccc(C(C)C)cc32)ccc1C#N 1657829191 LSCAOSRPSFVXIA-OAQYLSRUSA-N 304.437 4.767 30 20 DJED CCCc1ccc(CNc2cc(C#N)ccc2OC(C)C)s1 1658086566 LBRATPOUJCRUBO-UHFFFAOYSA-N 314.454 4.972 30 20 DJED C[C@H]1C[C@@H](C(=O)O)CCC1=Nn1c2ccccc2c2ccccc21 1776113117 XZFBEDPRIFEQDV-KBPBESRZSA-N 320.392 4.519 30 20 DJED CC(C)c1ccc(NC(=S)Nc2ccc(CC#N)cc2)cc1 18145502 QFRYXKDVCWMWSQ-UHFFFAOYSA-N 309.438 4.685 30 20 DJED N#Cc1ccc(Sc2nc(C(F)F)nc3ccccc23)cc1 66454771 BLUKNWZBPPHOKE-UHFFFAOYSA-N 313.332 4.590 30 20 DJED Cc1c(Cl)cccc1NC(=O)c1cccc(SCC#N)c1 79380709 RHQAJJXRFYIOFO-UHFFFAOYSA-N 316.813 4.516 30 20 DJED Cc1c([C@@H](C)NCc2ccc(F)c(C#N)c2)oc2ccccc12 183617805 BATRAHVEPFNGLY-CYBMUJFWSA-N 308.356 4.603 30 20 DJED CC(C)(C)OC(=O)Nc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1 185737600 OWRYFQZFLBACKT-CJNGLKHVSA-N 315.417 4.528 30 20 DJED C=C(C)[C@@H](NCc1ccc(C#N)cc1C)c1ccc(F)c(F)c1 186336872 MALXAQWCMCFAMT-LJQANCHMSA-N 312.363 4.552 30 20 DJED C[C@H](C#N)Oc1ccc(/C=C2\C[C@@H](C)c3ccccc3C2=O)cc1 255563185 BOEYPTXMBZWUKL-DYNPQAPLSA-N 317.388 4.751 30 20 DJED Cc1cc(N[C@@H](C)c2ccc(C#N)cc2)c2cccc(F)c2n1 301670326 NQRKSCCCBYGXOO-ZDUSSCGKSA-N 305.356 4.727 30 20 DJED C=CCC[C@H](NCc1ccccn1)c1ccc(C(F)(F)F)cc1 342199771 WTRGKQGFFIECSG-KRWDZBQOSA-N 320.358 4.898 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1csc2ccccc12 355216520 VRNJFASDKKKDTC-UHFFFAOYSA-N 314.454 4.693 30 20 DJED C[C@@H](NCc1cccc(C#N)c1F)c1cc(Cl)ccc1Cl 426782020 DCAMOOXFCKXJQE-SNVBAGLBSA-N 323.198 4.855 30 20 DJED CC[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc(Cl)s1 426904798 KNLSPJWCVDKCRN-NSHDSACASA-N 321.789 4.745 30 20 DJED Cc1cc(F)ccc1C1CCN(CC(C)(C)CCC#N)CC1 430097774 CBMJLNXUVGLGFS-UHFFFAOYSA-N 302.437 4.644 30 20 DJED C=CCC(CC=C)C(=O)N(C)c1nc2cccc(Cl)c2s1 436331747 OYHINDGMYPCRIP-UHFFFAOYSA-N 320.845 4.681 30 20 DJED CC(C)c1cc(Br)ccc1N[C@@H]1CC[C@@H](C#N)C1 442859320 USURBXCROBQIDD-DGCLKSJQSA-N 307.235 4.677 30 20 DJED CCOc1ccc(OC)cc1N[C@H](CC)c1ccc(C#N)cc1 447603863 ZAXDCUHORMQNOI-QGZVFWFLSA-N 310.397 4.529 30 20 DJED C=CCC1(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)CCCC1 449852064 XLMBJLFPPPUSPQ-ZDUSSCGKSA-N 320.502 4.754 30 20 DJED C=C(C)[C@@H](N[C@@H](C)C1CCSCC1)c1ccc(F)c(F)c1 474924220 ATAPXGFTGFQZQQ-YVEFUNNKSA-N 311.441 4.703 30 20 DJED C=C[C@H]1CCCCN1C(=O)N[C@@H](CC)c1ccc(Cl)s1 495206888 AISOKOXVRJMGCB-RYUDHWBXSA-N 312.866 4.603 30 20 DJED CCCc1ccc(C(=O)N(CCC)Cc2ccc(C#N)cc2)cc1 498430451 ODOCARMKWMATIL-UHFFFAOYSA-N 320.436 4.563 30 20 DJED CCC1CCC(N(C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 503525225 BDRQCLHTFLFIJY-UHFFFAOYSA-N 319.836 4.644 30 20 DJED N#Cc1cnccc1/C=C\c1ccc(Cl)c(Br)c1 504712516 QDNOQSWQFMQYKO-IWQZZHSRSA-N 319.589 4.540 30 20 DJED C=C(C)CCc1noc([C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)n1 508642844 BTIRMEWVONNMKQ-UONOGXRCSA-N 322.330 4.868 30 20 DJED CC[C@@H](C)CCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 512097879 GLVSBSVALYOQFT-MFKMUULPSA-N 313.228 4.501 30 20 DJED CCCCCC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 515622016 DYGHZMSSEWHLFS-UHFFFAOYSA-N 324.449 4.904 30 20 DJED CCCC[C@H](CC)CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 524208312 AEPQVSFMVAGFGL-XJKSGUPXSA-N 306.837 4.627 30 20 DJED C=C[C@H](CC(=O)N1CCC[C@H]1Cc1ccccc1)c1ccccc1 533888788 YLYKIKWJLKDIHG-CTNGQTDRSA-N 319.448 4.580 30 20 DJED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 534635074 GOLPHZRTXQCHTL-MAUKXSAKSA-N 300.446 4.621 30 20 DJED C=CCC[C@@H](C(=O)N[C@@H](C)Cc1ccsc1)c1ccccc1 547630976 AHXGEGJNGOTSJK-MAUKXSAKSA-N 313.466 4.545 30 20 DJED Cc1ccc(C#N)c(Oc2cc(C(F)(F)F)ccc2Cl)n1 557477792 UDQMFCRFISJXTI-UHFFFAOYSA-N 312.678 4.726 30 20 DJED C=CCC[C@H](NCc1cc(-c2ccccc2)on1)c1ccco1 560525071 GBMLYONHZMZPNR-KRWDZBQOSA-N 308.381 4.732 30 20 DJED C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cc2cccc(F)c2o1 567315729 AHFJWHOFJNWSSY-KZULUSFZSA-N 320.367 4.782 30 20 DJED N#Cc1cc(F)cc(NCc2ccccc2OC2CCCC2)c1 600860159 FLVISUGQCPZZKL-UHFFFAOYSA-N 310.372 4.631 30 20 DJED C#Cc1cccc(NC(=S)N2CCC[C@H]2c2ccccc2C)c1 726474036 RVRHJVUVWRCEGB-IBGZPJMESA-N 320.461 4.510 30 20 DJED Cc1ccc(N(CCC#N)C(=O)C[C@H](C)c2ccccc2F)cc1 726940295 PZEVZMYGDJKKLQ-INIZCTEOSA-N 324.399 4.575 30 20 DJED Cc1nc(-c2ccccc2)sc1C(=O)/C=C/c1ccc(O)cc1 727780602 PVUZCADLVXJKIH-FMIVXFBMSA-N 321.401 4.720 30 20 DJED C#Cc1cccc(N(C)C(=S)Nc2cccc(C(C)C)c2)c1 728448650 YLNNNFKAWLQPIQ-UHFFFAOYSA-N 308.450 4.625 30 20 DJED CC(Cc1ccsc1)=NNc1nc(-c2ccccc2)cs1 729635461 VJPODMUEUHBSHU-UHFFFAOYSA-N 313.451 4.902 30 20 DJED CCCCCCCCCC(=O)N[C@H]1CCc2c(O)cccc21 732285274 ABOOZBYSAJPIAF-KRWDZBQOSA-N 303.446 4.636 30 20 DJED CCCCCCCC(=O)N1CCS[C@@H](c2ccccc2)C1 735453935 LNRAETISSLJKGG-QGZVFWFLSA-N 305.487 4.664 30 20 DJED O=C(/C=C/c1ccc(O)cc1)c1ccc(SCC(F)F)cc1 741844377 UEKUNLXHUDWFTB-XCVCLJGOSA-N 320.360 4.646 30 20 DJED CSc1ccc(C(=O)/C=C\c2ccc(F)c(F)c2)cc1F 741846255 ATPQAUSXUHPVGN-UTCJRWHESA-N 308.324 4.722 30 20 DJED CCCCCCCC(=O)NC[C@H](OC)c1cccc(Cl)c1 742865409 OAQIETCMJHSXIS-INIZCTEOSA-N 311.853 4.504 30 20 DJED CC(C)c1noc([C@H](C)ON=Cc2ccc(C(C)(C)C)cc2)n1 744444179 SDEOCLKPUFLNIC-ZDUSSCGKSA-N 315.417 4.602 30 20 DJED CC(=NNc1cc([N+](=O)[O-])ccc1C)c1oc2ccccc2c1C 747061833 MHVJBPKNPJPIMC-UHFFFAOYSA-N 323.352 4.794 30 20 DJED CN(C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCCCC1 748986467 FRKSFLUQFYSIGQ-UHFFFAOYSA-N 319.836 4.788 30 20 DJED C#CC[C@@H](Nc1nc(C(F)F)nc2ccccc12)c1ccccc1 756953744 QEGIWHFHDHHXNI-OAHLLOKOSA-N 323.346 4.744 30 20 DJED O=C(/C=C/c1cccc(OC(F)F)c1)c1ccc(O)c(Cl)c1 768756783 NDMCGNIGDAYHQL-GQCTYLIASA-N 324.710 4.543 30 20 DJED CCCCn1nc(C)c(C=NNc2c(C)cccc2F)c1Cl 769827551 DEDFPMYQDSBZAT-UHFFFAOYSA-N 322.815 4.539 30 20 DJED CC[C@@H](C#N)Sc1nc2cc(C(F)(F)F)ccc2s1 780337828 IAJWSFKEPRMUBL-QMMMGPOBSA-N 302.346 4.709 30 20 DJED C=CC[C@@H](NC[C@H](C)c1cccc(Cl)c1)c1ccncc1 783636870 DOGSJDIAGYAHKC-KBXCAEBGSA-N 300.833 4.746 30 20 DJED CCCCCCCCOCc1nc([C@@H]2CCOC(C)(C)C2)no1 834886638 DYSFSOSHPZJNFE-OAHLLOKOSA-N 324.465 4.619 30 20 DJED CCCCCCCC(=O)N[C@@H](C)c1cccc(OC(F)F)c1 915628436 BAZWNYIZYMFFNF-ZDUSSCGKSA-N 313.388 4.826 30 20 DJED O=C(/C=C\c1ccc(F)cc1)c1ccc(OCC(F)(F)F)cc1 920480536 HFAJWIBFXZHIOF-KMKOMSMNSA-N 324.273 4.663 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1ccc(C(C)C)c(Cl)c1 1126698374 VEZVWDYFSRYCCH-UHFFFAOYSA-N 312.800 4.896 30 20 DJED CC[C@H](c1ccccc1)N(C(=O)c1ccc(F)c(C#N)c1)C(C)C 1131575551 CTONIVUMRQTPIM-LJQANCHMSA-N 324.399 4.699 30 20 DJED C[C@H](Cc1ccc2ccccc2n1)Sc1ccc(C#N)cc1 1188650417 PKOQRKSAFJYXOG-CQSZACIVSA-N 304.418 4.830 30 20 DJED C[C@H](Cc1ccc(F)cc1Cl)Nc1cc(F)cc(C#N)c1 1207134942 DZLZWKKXFPSELQ-SNVBAGLBSA-N 306.743 4.533 30 20 DJED C=CCn1c(SCc2ccccc2C2CC2)nnc1C1CC1 1261552558 VOWQESRIFBOKPT-UHFFFAOYSA-N 311.454 4.511 30 20 DJED CCc1ccc(C2=CCN([C@@H](C)c3cccc(C#N)c3)CC2)cc1 1307638860 UNYYANNQPAGGGB-KRWDZBQOSA-N 316.448 4.971 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCC[C@@H]1CC 1350098100 PZMONZMZHSGIDQ-OALUTQOASA-N 312.457 4.513 30 20 DJED CCNc1ccc(C#N)cc1NC(=O)C[C@@H](C)C1CCCCC1 1446109696 ZEEHAGMBNWUFHX-CQSZACIVSA-N 313.445 4.535 30 20 DJED N#Cc1ccc(NCc2ccc(Sc3ccccc3)cc2)nc1 1458263193 RADXRTKPCRXTQV-UHFFFAOYSA-N 317.417 4.717 30 20 DJED CC(C)C1(C)CCN(c2ccc(C#N)c(Br)c2)CC1 1458330575 HHVBDIFHVMWDRC-UHFFFAOYSA-N 321.262 4.583 30 20 DJED CC(C)(C)c1ccc(C2(CNc3ccc(C#N)cn3)CCC2)cc1 1472682464 RSFKUDCRRJMIKB-UHFFFAOYSA-N 319.452 4.785 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)Cc2ccc(-c3ccccc3)cc2)C1 1535479309 OQWKUCCEDQHUJC-XLIONFOSSA-N 319.404 4.522 30 20 DJED CC(C)(C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C1CC1 1539409588 HFRZMADEDIMJDX-UHFFFAOYSA-N 320.392 4.725 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)CC3CCCC3)c2C#N)[C@@H](C)C1 1544383883 OXKALMUNZUZWDJ-RYUDHWBXSA-N 316.470 4.824 30 20 DJED COc1cc(C#N)ccc1CN1CCCC2(CCCCC2)CC1 1617237648 ZHCDDNPOHSVYLW-UHFFFAOYSA-N 312.457 4.503 30 20 DJED C[C@H](CC(C)(C)C#N)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 1621392161 OODDNHNAHNFRKV-UKPHBRMFSA-N 304.865 4.894 30 20 DJED CCCC[C@H](Nc1ccc(C#N)c(C)n1)c1ccc(OC)cc1 1655103619 HXPRRSFDGLALLJ-SFHVURJKSA-N 309.413 4.614 30 20 DJED Cc1cc(C#N)cc(N[C@@H](C)Cc2ccc(F)cc2Cl)c1 1659444090 KFFNVIAFUDXHGB-LBPRGKRZSA-N 302.780 4.702 30 20 DJED COc1ccc([C@@H](Cc2ccccc2)NC[C@H](C)CCC#N)cc1 1664913655 KOJCMRHHVONVIX-DYESRHJHSA-N 322.452 4.508 30 20 DJED C=C(Cl)Cn1c([C@@H](C)CC)nnc1N(C)c1cccc(C)c1 1760366383 YOFTXEPLVGUMTP-ZDUSSCGKSA-N 318.852 4.620 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1coc2ccccc12 1776784425 KXYVTGJNWWZIAV-INIZCTEOSA-N 317.429 4.726 30 20 DJED CCCOc1ccc(/C=C/C(=O)c2ccccc2)cc1OCC 62166022 SUTVLLGHWMFEHF-ZRDIBKRKSA-N 310.393 4.770 30 20 DJED CC(C)c1ccc(C(=O)N(CCC#N)c2ccc(F)cc2)cc1 78380118 LFQYGOYILDJUJB-UHFFFAOYSA-N 310.372 4.510 30 20 DJED CC[C@H]1CCCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 117442408 ZICGOULPRXQRPR-HNNXBMFYSA-N 313.445 4.532 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1cccc(C(F)F)c1 171392649 XUASFRAKINDEKI-UHFFFAOYSA-N 322.380 4.906 30 20 DJED CCOc1ccccc1[C@H](CC)N[C@H](C)c1cccc(C#N)c1 181648026 MOCPGKNMGOHDMH-BEFAXECRSA-N 308.425 4.759 30 20 DJED CCc1cccc(C)c1NC(=O)c1ccc(C(C)(C)C#N)cc1 279865174 JDVRQOPFBQPKNJ-UHFFFAOYSA-N 306.409 4.611 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@]1(C)CC=CCC1 410460641 WWQJTRNLBHDCLW-KSSFIOAISA-N 314.454 4.623 30 20 DJED CC[C@@H](NCc1cccc2ccccc12)c1ccc(C#N)cc1 447540138 IJXBXUIVTVDSQX-OAQYLSRUSA-N 300.405 4.952 30 20 DJED N#Cc1cc(CNc2ccccc2N2CCCCCC2)ccc1F 467775286 CYUNMTBCPWKDIR-UHFFFAOYSA-N 323.415 4.690 30 20 DJED C=CCCCCCN(C)C(=O)C[C@H](C)Cc1cccc(F)c1 469672607 CHCBZFDBVPHDTM-MRXNPFEDSA-N 305.437 4.599 30 20 DJED N#CC[C@H](CC(=O)N1CCCC2(CCCCC2)C1)c1ccccc1 475907436 SHBPYEBRTDHFRT-LJQANCHMSA-N 324.468 4.647 30 20 DJED Cc1c(C(=O)N(C)c2ccccc2C#N)oc2c(Cl)cccc12 479697216 ZLKDORQHLWPXHG-UHFFFAOYSA-N 324.767 4.543 30 20 DJED C=CCN(CC1CCCCC1)C(=O)[C@H](C)c1ccccc1F 482807633 WFKQQXXZXJHNQT-OAHLLOKOSA-N 303.421 4.524 30 20 DJED N#CCCSc1ccccc1NCCCc1cccc(F)c1 486199607 VBNLGGFBOLNBPH-UHFFFAOYSA-N 314.429 4.876 30 20 DJED C=C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 488867802 XXHRBGLZWJKHLC-SNPRPXQTSA-N 324.251 4.664 30 20 DJED CCCN(Cc1ccc(F)cc1C#N)[C@H]1CCc2ccccc21 489576699 IQUQMOXGJBIAGX-FQEVSTJZSA-N 308.400 4.597 30 20 DJED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1cccc(OCc2ccccc2)c1 519189731 JVGYMRGIMAMKFJ-QRFRQXIXSA-N 320.436 4.608 30 20 DJED C=CCCCCCN(C)C(=O)N[C@@H](C)c1cccc(OCC)c1 523518068 JVSUNKQQVUMARK-INIZCTEOSA-N 318.461 4.534 30 20 DJED C=CC[C@H](C)NC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 523983001 VPZDIHUJSBRNFU-HOTGVXAUSA-N 324.424 4.913 30 20 DJED CC(C)(CCC#N)CNC1CCC(c2ccc(F)cc2)CC1 541923073 YQWLXTOYIQYBLN-UHFFFAOYSA-N 302.437 4.771 30 20 DJED C=C[C@@H](CC(=O)N1CC[C@@H](c2cccc(C)c2)C1)c1ccccc1 543338741 NBZKXXZMXHAMPX-GHTZIAJQSA-N 319.448 4.671 30 20 DJED N#CCc1ccccc1NC(=O)c1ccc(C2CCCC2)cc1 558670404 MASSDXCWDIHCOT-UHFFFAOYSA-N 304.393 4.663 30 20 DJED C[C@@H](Nc1cc(C#N)ccn1)c1ccc(-c2cccc(C#N)c2)cc1 561267373 DRBGPMMYEJSHKU-OAHLLOKOSA-N 324.387 4.665 30 20 DJED C[C@@H](Nc1ccc(NC[C@H](C#N)CCC#N)cc1)c1ccccc1 566124440 HHOWOSPTWMOEBV-SJORKVTESA-N 318.424 4.715 30 20 DJED N#CCCCCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 588808635 HEZJTUOEAHJLMD-UHFFFAOYSA-N 318.726 4.771 30 20 DJED C[C@H](Sc1cc(C#N)ccn1)C(=O)c1ccc(C(C)(C)C)cc1 603726963 SDAQRCQKMZMLPH-ZDUSSCGKSA-N 324.449 4.614 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc2scnc2c1 606945168 GUXGJTCYWRFLEO-UHFFFAOYSA-N 303.431 4.506 30 20 DJED C#Cc1cccc(N(C)C(=O)c2cc3ccc(C(C)C)cc3[nH]2)c1 728536656 UQQCJELJSBNWQB-UHFFFAOYSA-N 316.404 4.549 30 20 DJED CC(=NNc1cnnc2ccccc12)c1oc2ccccc2c1C 733748027 BZTLZEOUQRVWOF-UHFFFAOYSA-N 316.364 4.521 30 20 DJED C=CC[C@@H](C)NCc1c(C(C)C)nn(-c2ccccc2)c1Cl 735086833 SNLUDRGSOSWYOL-CQSZACIVSA-N 317.864 4.703 30 20 DJED O=C(/C=C/c1nccc2ccccc12)c1c[nH]c2cc(F)ccc12 740765333 XAEXSOTZICFFAD-BQYQJAHWSA-N 316.335 4.751 30 20 DJED CC[C@@H](/N=C/c1cc(Cl)cc(Cl)c1O)c1ccncc1 741466058 BYVZVVOUESABNB-MRGVZLDZSA-N 309.196 4.664 30 20 DJED CC/C=C(/C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 742964181 ZKFFMYDDSMBUMO-MLPAPPSSSA-N 324.355 4.784 30 20 DJED CCCCOc1ccc(/C=C\C(=O)c2ccsc2)cc1OC 749101840 LXYUXNDAAZALRZ-ALCCZGGFSA-N 316.422 4.832 30 20 DJED CCn1nccc1/C=C/C(=O)c1cc2c(ccc3ccccc32)o1 753711270 HYVIZTZIVCXLMI-CMDGGOBGSA-N 316.360 4.699 30 20 DJED C#CCCCC(=O)N(C)Cc1c(CCCC)oc2ccccc12 757875822 AODIUYPQAXVCCL-UHFFFAOYSA-N 311.425 4.537 30 20 DJED COc1cc(Cl)c(/C=C/C(=O)c2cncc(C)c2)cc1Cl 767367200 QGDJRVUTYZKWDF-ONEGZZNKSA-N 322.191 4.602 30 20 DJED CCCc1cccc(CNCc2cccc(O[C@@H](C#N)CC)c2)c1 775304853 JTSRBRHKSHJVRR-HXUWFJFHSA-N 322.452 4.610 30 20 DJED C#CC[C@@H](N[C@@H](C)c1cc2cccc(OC)c2o1)c1ccccc1 776169292 GLCIQUCBUZYSGJ-MAUKXSAKSA-N 319.404 4.857 30 20 DJED CCCCC[C@@H](NCCCC1(C#N)CCOCC1)C(C)(C)C 799158955 CANVRSXTVLQUEA-QGZVFWFLSA-N 308.510 4.672 30 20 DJED C#C[C@H](NCc1cc(Cl)cs1)c1ccc(Cl)cc1F 809698718 GZSBZJTXQIDQEJ-AWEZNQCLSA-N 314.212 4.658 30 20 DJED FC(F)(F)c1ccc2sc(NN=C3CC4(CC4)C3)nc2c1 814860320 OXTGGEJWFJEEEH-UHFFFAOYSA-N 311.332 4.657 30 20 DJED C=CC(C)(C)CC(=O)Nc1cccc(COCc2ccco2)c1 878298547 FOEBQVWJEZBXAS-UHFFFAOYSA-N 313.397 4.537 30 20 DJED O=C(O)c1ccc(C(=O)/C=C/c2ccc(-c3ccccc3)o2)s1 917518530 BLHOVJLSWQRJQV-SOFGYWHQSA-N 324.357 4.602 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)CCCC3CC3)c2C#N)[C@@H](C)C1 1129333856 DVLQYSYIHZHJQN-RYUDHWBXSA-N 316.470 4.824 30 20 DJED N#Cc1cnc(NC[C@@H]2CCC[C@H]2c2ccccc2)c(Cl)c1 1163383707 LHKYLDIWVHNDHR-HOTGVXAUSA-N 311.816 4.602 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1ccc(C2CC2)cc1 1178900814 IDTOZEBCKUKYJJ-UHFFFAOYSA-N 306.409 4.835 30 20 DJED N#C[C@H](CCc1ccccc1)S[C@H]1CCc2ccccc2C1 1189702445 OJOJRFQYVKQUCB-PMACEKPBSA-N 307.462 4.802 30 20 DJED CC[C@H](C)c1ccc([C@@H](Nc2nc(C)cc(C#N)n2)C(C)C)cc1 1306917278 CRBDUMXPGMPVPZ-LIRRHRJNSA-N 322.456 4.979 30 20 DJED Cc1c(Br)cccc1CN(CCC#N)CCC(C)C 1307512763 GXMYDNBMQIXASP-UHFFFAOYSA-N 323.278 4.519 30 20 DJED CC(C)[C@H]1CCC[C@H](NC(=O)CC2(C#N)CCCCC2)CC1 1435982321 XGKRHDQPLANAOG-IRXDYDNUSA-N 304.478 4.572 30 20 DJED COc1ccc(C#N)cc1CS[C@@H](C)c1ccc(F)cc1 1458933558 COTWEXAKYYYDNG-LBPRGKRZSA-N 301.386 4.700 30 20 DJED Cc1cc(C)c(/C=C/CN[C@@H](C)c2cccc(C#N)c2)c(C)c1 1461752821 JMEBBUGMHSNAGU-YOCVDRLZSA-N 304.437 4.848 30 20 DJED C[C@H](N[C@H]1CCC[C@H]1Cc1ccccc1)c1ccc(C#N)cc1 1473390757 FYIPFDNFGHAURC-NDXORKPFSA-N 304.437 4.620 30 20 DJED C[C@@H](CC(=O)N(C)[C@H](C)c1cccc(C#N)c1)C1CCCCC1 1529667412 YJZGPFCUZCXIGN-JKSUJKDBSA-N 312.457 4.684 30 20 DJED Cc1c(Cl)cnc(NCc2ccc(-c3ccccc3)o2)c1C#N 1559075019 ARZHTWIJKBUOIE-UHFFFAOYSA-N 323.783 4.787 30 20 DJED C[C@@H]1CCN(c2nc(C(C)(C)C)ccc2C#N)[C@@H]2CCCC[C@H]12 1559121179 TYFMFNHSTOFWNP-DJIMGWMZSA-N 311.473 4.656 30 20 DJED C[C@H](S[C@H]1CC[C@H](C#N)C1)c1cccc(Br)c1 1559419255 XBQIHHHPBDSYLY-MJVIPROJSA-N 310.260 4.936 30 20 DJED CCC[C@@H]1CCCC[C@@H]1CNC(=O)Nc1cc(C)cc(C#N)c1 1562939520 LUOZHGWHZJEKGM-IAGOWNOFSA-N 313.445 4.595 30 20 DJED Cc1ccc(CC2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 1616539508 SPZBHVTZRXRDRU-NRFANRHFSA-N 304.437 4.514 30 20 DJED CC(C)CC[C@H]1CC[C@@H](Nc2ccc(F)cc2OCC#N)C1 1621237698 CFWVOHGDTUZGIY-GOEBONIOSA-N 304.409 4.745 30 20 DJED CC(C)(C)[C@@H]1Cc2ccccc2N(Cc2ccc(C#N)s2)C1 1644144321 MJDOGLODKWDVMN-OAHLLOKOSA-N 310.466 4.845 30 20 DJED CC(C)CC1(C)CCN(Cc2ccc(Cl)cc2C#N)CC1 1646006951 DGIDJJWLAHQVNL-UHFFFAOYSA-N 304.865 4.860 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1cc(-c2ccccc2)on1 1652050527 CKNXQMZKZAKEJU-UHFFFAOYSA-N 324.767 4.754 30 20 DJED Cc1ccc(C#N)c(Nc2ccc3nc(C(C)C)sc3c2)n1 1655050946 BTOAMFAVKCMOAC-UHFFFAOYSA-N 308.410 4.738 30 20 DJED CC1(C)CC(CNc2ncc(C#N)cc2Cl)CC(C)(C)C1 1655652401 XXSBUVVAGHUKMK-UHFFFAOYSA-N 305.853 4.871 30 20 DJED COc1ccc(-c2ccccc2)cc1CNc1cccc(C#N)c1 1655988097 PPTCDNDKFHAWRZ-UHFFFAOYSA-N 314.388 4.846 30 20 DJED Cc1ccc(-n2c(S[C@@H](C#N)C3CC3)nc3ccccc32)cc1 1656089631 OEBXHMHKXIOQLN-SFHVURJKSA-N 319.433 4.728 30 20 DJED C=C(Cl)CN(C)C[C@H](CC)Oc1ccc(Cl)c(Cl)c1 1658284353 ZSZAOAXWLQPRJT-NSHDSACASA-N 322.663 4.835 30 20 DJED C[C@H](CCc1c[nH]c2ccccc12)Nc1ccc(CC#N)cc1 1664217493 AVJSYAIKHXOWNR-OAHLLOKOSA-N 303.409 4.667 30 20 DJED CCC(CC)[C@@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1 1665582252 LTUXTBSNDYFUPE-LJQANCHMSA-N 321.424 4.857 30 20 DJED C=CCCC(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 60365073 ATVJBTKLPLVCRS-UHFFFAOYSA-N 310.781 4.507 30 20 DJED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1cc(F)cc(F)c1 90665756 YVJVGVJNIGJQGD-FZKQIMNGSA-N 300.352 4.660 30 20 DJED CC(C)c1ccc([C@H](C)NCc2cccc(OCC#N)c2)cc1 124688487 GUPJDZZGSICAGQ-INIZCTEOSA-N 308.425 4.563 30 20 DJED CC(C)c1ccc2c(c1)[C@@H](NCc1cccc(C#N)c1)CCCO2 126527426 IIQKCUOFIVHIBU-FQEVSTJZSA-N 320.436 4.685 30 20 DJED C[C@H](SCCCC(C)(C)C#N)c1nc(-c2cccs2)no1 161501547 IHEAAVDHYXASPH-NSHDSACASA-N 321.471 4.922 30 20 DJED C=C(C)[C@@H](NCc1cccc(COC)c1)c1ccc(F)c(F)c1 187374312 JVFDJRKIYRABON-LJQANCHMSA-N 317.379 4.518 30 20 DJED CC(C)(NCc1ccc(C#N)c(F)c1)c1cccc(Cl)c1F 192193425 HGQZOECYDIDTRI-UHFFFAOYSA-N 320.770 4.515 30 20 DJED CC(C)Oc1cccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)c1 192991099 QFTAPMDMRLKCSJ-HZPDHXFCSA-N 308.425 4.757 30 20 DJED CC1C/C(=C/c2cccc(O)c2)C(=O)/C(=C\c2cccc(O)c2)C1 207552574 JNORQBSGNLWLKJ-IWSCKCOWSA-N 320.388 4.564 30 20 DJED N#Cc1cc(CSc2ccccc2Br)ccc1F 236151725 FTCCVPDJRPOXQG-UHFFFAOYSA-N 322.202 4.752 30 20 DJED C[C@@H]1CC[C@H](CC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)C1 247700391 UOCDNBHDGJOZGP-YCPHGPKFSA-N 324.449 4.813 30 20 DJED C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2cc3ccccc3o2)cc1 254949770 JLARRFZAXIMQJN-KOTGUFOOSA-N 317.344 4.620 30 20 DJED C[C@H](C(O)=Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccccn1 328755973 FPMSZUJEQWJVNA-ZDUSSCGKSA-N 324.380 4.515 30 20 DJED C[C@]1(C(O)=Nc2ccc3nc(C4CC4)sc3c2)CCCOC1 329307264 PMVWJLHNZXJSAW-KRWDZBQOSA-N 316.426 4.578 30 20 DJED Cc1noc(Cl)c1CC/C(O)=N/C[C@@H]1C[C@H]1C1CCCCC1 329363658 ZPKBQJVMXZWFFQ-ZFWWWQNUSA-N 324.852 4.742 30 20 DJED CC(C)c1[nH]ccc1/C(O)=N/[C@@H](C)c1nc(C(C)(C)C)cs1 330604039 IHYLPUXDPDYOSF-NSHDSACASA-N 319.474 4.958 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCCc2occc21 360836084 MFRUBVFRQFEIAA-RBUKOAKNSA-N 306.409 4.586 30 20 DJED C=CCC[C@H](Nc1cccc(N2CCCC2=O)c1)c1ccco1 428468049 MBXXWLUVWHURFM-KRWDZBQOSA-N 310.397 4.526 30 20 DJED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cc3ccccc3o2)s1 430606091 VUIDDJJNNCPVQF-GFCCVEGCSA-N 324.405 4.677 30 20 DJED C=CCC[C@@H](NCc1cccc(NC(=O)CC(C)C)c1)C1CC1 439078770 OYSAXXBRMMRXDK-LJQANCHMSA-N 314.473 4.506 30 20 DJED C[C@H](CC1CCCCC1)C(=O)N[C@@H](CCC#N)c1ccccc1 439657873 HUXOJJYBEGXKEH-APWZRJJASA-N 312.457 4.754 30 20 DJED Cc1ccc([C@H]2OCCC[C@H]2CNc2ccc(C#N)cc2F)cc1 463065372 WHFVHLBBURGJOY-FXAWDEMLSA-N 324.399 4.586 30 20 DJED CC[C@@H](C)C[C@@H](C)NC(=O)c1ccccc1-c1ccccc1C#N 463912198 ZWJKXIPUSRCSFL-HZPDHXFCSA-N 320.436 4.780 30 20 DJED C=CCCC(=O)Nc1nc(-c2ccc3c(c2)CCC3)c(C)s1 464095714 LCGLLAAMYZOBOQ-UHFFFAOYSA-N 312.438 4.512 30 20 DJED CCC[C@@H]1[C@H](C)CCCN1C(=O)C[C@H](CC#N)c1ccccc1 476191600 MKUDHFMXNBMFTI-NZSAHSFTSA-N 312.457 4.501 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CCc2cc(F)ccc21 481649517 FUDLGOKLAXDXSZ-NHCUHLMSSA-N 320.411 4.742 30 20 DJED C=CCCCCCN(C)C(=O)c1cccc(Cl)c1Cl 523563085 MWKRVEQRNXPSPB-UHFFFAOYSA-N 300.229 4.812 30 20 DJED CCc1c(C)sc(NC(=O)c2ccc3ccccc3c2)c1C#N 524331064 TUHYMUWZKXWYSK-UHFFFAOYSA-N 320.417 4.896 30 20 DJED CCC[C@@H](C#N)NC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 525711053 DHOKWPRRNCQFIJ-INIZCTEOSA-N 324.424 4.666 30 20 DJED C=C[C@H](CC(=O)Nc1cccc2ncccc12)c1ccccc1 533923296 KHYOZRZAMGVSDI-OAHLLOKOSA-N 302.377 4.533 30 20 DJED C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]1c1ccccc1C 539390049 JQEJDQLQJCETLX-FUHWJXTLSA-N 300.446 4.586 30 20 DJED Cc1ccccc1C[C@@H](C)Nc1cccc(OCCCC#N)c1 539626908 GTFVCHRIXLUGIZ-QGZVFWFLSA-N 308.425 4.721 30 20 DJED N#CCC1CCN(Cc2ccc(-c3ccc(F)cc3)s2)CC1 540996215 ZYZPGALGYKXWEZ-UHFFFAOYSA-N 314.429 4.680 30 20 DJED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Oc2ccccc2)c(F)c1 549927604 BRDDCENVGXIKMV-YQQAZPJKSA-N 324.399 4.961 30 20 DJED C[C@@H]1CCCN(C(=O)c2cc(C#N)ccc2Cl)c2ccccc21 552161717 SAAQOUNQTWWGEL-CYBMUJFWSA-N 324.811 4.756 30 20 DJED Cc1c([C@H](C)Nc2ccc(C#N)c([N+](=O)[O-])c2)oc2ccccc12 568811216 DIJAUXCLEACKGK-LBPRGKRZSA-N 321.336 4.694 30 20 DJED Cc1cc(C)cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 609377940 SCNDYASPARZMCJ-OAHLLOKOSA-N 324.449 4.808 30 20 DJED C[C@H](N[C@H](C)c1cnc2ccsc2c1)c1cccc(C#N)c1 610830456 VHXKPAIKHWSMOE-QWHCGFSZSA-N 307.422 4.580 30 20 DJED C#Cc1cccc(N(C(=O)c2ccc(C)c(Cl)c2)C(C)C)c1 728475827 SBLYVSYWLDVATG-UHFFFAOYSA-N 311.812 4.685 30 20 DJED C#CCOc1ccc(CN[C@@H](C)c2oc3ccccc3c2C)cc1 733325112 XXQUMKNJUHNISB-INIZCTEOSA-N 319.404 4.604 30 20 DJED CC(=NNc1cc(F)c(F)cc1F)c1cnc2ccsc2c1 739412418 YNSKCLNITBSNHT-UHFFFAOYSA-N 321.327 4.550 30 20 DJED N#C[C@@H](C(=O)[C@@H]1CC12CCCC2)c1nc(-c2ccccc2)cs1 747480772 VNPNZZKPVSWQIJ-GJZGRUSLSA-N 322.433 4.567 30 20 DJED C#CCCCC(=O)N(Cc1ccc(Cl)cc1)c1ccccc1 758125655 MTMGHFCZEXCWHW-UHFFFAOYSA-N 311.812 4.677 30 20 DJED CC(C)(CC#N)COC(=O)Cc1coc2ccc3ccccc3c12 764843474 FOJVXZYYVQMFJW-UHFFFAOYSA-N 321.376 4.612 30 20 DJED C#CCCCSc1ncc(-c2ccccc2)n1CC(F)(F)F 766289870 QWZQACMKITVNMN-UHFFFAOYSA-N 324.371 4.618 30 20 DJED C[C@H](N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccc(OCC#N)cc1 772960728 VBRQLIQTVIEQIY-WZGPROSRSA-N 312.457 4.598 30 20 DJED CC1(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)CCCCCC1 781450630 VIBMOELAOVUYFW-INIZCTEOSA-N 306.409 4.772 30 20 DJED C=C[C@H](CC(=O)Nc1ccc(Cl)c(Cl)n1)c1ccccc1 782850294 ISONFXXDSYGARG-LLVKDONJSA-N 321.207 4.687 30 20 DJED CCCCCCCCC[S@@](=O)Cc1sc(C)nc1C 790138018 CHJPGLMQOIRUAS-LJQANCHMSA-N 301.521 4.759 30 20 DJED CC[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1 795994589 YLSCRGHKWUPNSC-RBUKOAKNSA-N 307.393 4.768 30 20 DJED C=CC[C@@H](OC(=O)c1cccc2oc(C)nc12)c1ccccc1 805922854 VPPOVZSWACDBLK-MRXNPFEDSA-N 307.349 4.610 30 20 DJED Cc1cc(/C=C2/Cc3nc(Cl)ccc3C2=O)ccc1Cl 806579243 AIWJKKLJMKJGIG-XFFZJAGNSA-N 304.176 4.519 30 20 DJED C#CCCCc1nc(-c2ccc(SC(C)(C)C)cc2)no1 809441173 YZPDOAAYTOGRFO-UHFFFAOYSA-N 300.427 4.583 30 20 DJED C=CC[C@H](C(=O)OCc1oc(C(C)C)nc1C)c1ccccc1 813220011 NIJIVNKNRJGGDW-INIZCTEOSA-N 313.397 4.510 30 20 DJED COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(Cl)s1 834803518 VOBILHUUNUCFNU-HWKANZROSA-N 313.205 4.960 30 20 DJED N#CC1(C(=O)Nc2ccc(-c3ccccc3)cc2F)CCCC1 914733667 VCNAPEGQZOJXIN-UHFFFAOYSA-N 308.356 4.515 30 20 DJED CC(C)c1cccc(NC(=S)N(C)Cc2cccc(C#N)c2)c1 917576978 OHNMWPMOZJKGGR-UHFFFAOYSA-N 323.465 4.510 30 20 DJED C[C@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1CC1 920434970 GVWFDVKIRQGRFM-FOIQADDNSA-N 318.420 4.717 30 20 DJED N#Cc1ccc(NC(=O)C2=C(c3ccccc3)CCCC2)cc1 1124342101 GOHANEOCTQVQNC-UHFFFAOYSA-N 302.377 4.525 30 20 DJED N#Cc1cc(Cl)ccc1CN[C@@H]1CCC[C@@H]1Cc1ccccc1 1169364764 FMBYBPGVUUZFQM-OXQOHEQNSA-N 324.855 4.713 30 20 DJED CC[C@@H]1CCCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1218508910 ZMQAENUFNHAVBV-GFCCVEGCSA-N 319.474 4.571 30 20 DJED Cc1cc(C#N)cc(NC(=O)N(Cc2ccccc2)CC(C)C)c1 1219113400 QFLCVGRNBDULBR-UHFFFAOYSA-N 321.424 4.557 30 20 DJED CCC[C@@H](CC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 1264597193 ZFWJNZOFKAQUPH-OAHLLOKOSA-N 323.396 4.510 30 20 DJED CC(C)c1ccc(/C=C\CC(=O)Nc2cc(C#N)ccc2F)cc1 1275425620 KDAGDHVBUFJJAM-ARJAWSKDSA-N 322.383 4.863 30 20 DJED C[C@@H](NC(=O)CC#Cc1ccccc1)c1csc2ccccc12 1340826490 JJZTYFGLTLNMOF-OAHLLOKOSA-N 319.429 4.520 30 20 DJED C[C@H](OC(=O)c1cc(Cl)ccc1Cl)c1ccc(C#N)cc1 1457197217 ZTAZNHMBBMTZDG-JTQLQIEISA-N 320.175 4.783 30 20 DJED CCN(Cc1ccccc1C(C)(C)C#N)c1cccc(C)c1F 1460668588 SSEOWFVJEASDJF-UHFFFAOYSA-N 310.416 4.962 30 20 DJED CC1(C)CCCN(Cc2c(Cl)oc3ccccc23)[C@H]1C#N 1473449659 SSXYRKYNVOYPBH-HNNXBMFYSA-N 302.805 4.600 30 20 DJED CCN(C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccc(C#N)cc1 1532303205 VYAPAEKRRXQFAG-WBVHZDCISA-N 312.457 4.764 30 20 DJED CC(C)Cc1cccc([C@@H](C)C(=O)Nc2cc(C#N)ccc2F)c1 1535455348 KSKIRRWXIKXLDF-CQSZACIVSA-N 324.399 4.638 30 20 DJED Cc1c(C)c(C)c(CN[C@@H](C)c2ccc(C#N)cc2)c(C)c1C 1559832675 XSHCCQRVLMWLRS-SFHVURJKSA-N 306.453 4.951 30 20 DJED N#Cc1cccc(N(C(=O)CCCc2ccsc2)C2CCC2)c1 1617599642 HIPCSWNLNDDRKV-UHFFFAOYSA-N 324.449 4.528 30 20 DJED Cc1cc(CNc2ccccc2N2CCCCCC2)ccc1C#N 1650711115 VWTYKOUPEDLCEK-UHFFFAOYSA-N 319.452 4.859 30 20 DJED Cc1ccc(C#N)c(NC[C@@H]2CCCC[C@@H]2c2ccccc2)n1 1651852135 QJOLHBLXXTZKBR-RBUKOAKNSA-N 305.425 4.648 30 20 DJED Cc1cccc([C@H](C)N2CC=C(c3ccc(C#N)cc3)CC2)c1 1653151338 WZGKYWUVERNSSQ-KRWDZBQOSA-N 302.421 4.717 30 20 DJED N#CCC1(CN2CCc3ccccc3[C@@H]2Cc2ccccc2)CC1 1653800709 PMKLQTSSWWBZIQ-NRFANRHFSA-N 316.448 4.522 30 20 DJED CC(C)C[C@@H]1CCCC(=NNc2ccc(C(=O)O)c(F)c2)C1 1776075228 VLLIQITZRWCCLZ-LBPRGKRZSA-N 306.381 4.528 30 20 DJED CC(C)[C@H]1CCCCCC1=NNc1ccc(C(=O)O)c(F)c1 1776075750 BHYYDCIXJZCCHQ-CYBMUJFWSA-N 306.381 4.528 30 20 DJED C[C@@H]1C[C@@H]1c1ccc(CN(Cc2cc(C#N)ccc2F)C2CC2)o1 30152778 HKHPBHAQXYCOCX-ACJLOTCBSA-N 324.399 4.578 30 20 DJED CN(C(=O)c1ccc(-c2ccccc2)cc1)c1cccc(C#N)c1 60083710 GZAXCSWWVJRWGX-UHFFFAOYSA-N 312.372 4.502 30 20 DJED C[C@@H](c1ccccc1Cl)N(CCCSCC#N)C1CC1 74990085 GSJSWBDZSQQCHX-ZDUSSCGKSA-N 308.878 4.512 30 20 DJED CCCCCC[C@@H](CC)C(=O)Nc1ccc(F)cc1OCC#N 120796094 HGDSCFXFZYLIHJ-CQSZACIVSA-N 320.408 4.663 30 20 DJED CCCn1nc(C)c(/C=C/C(=O)c2ccc(SC)cc2)c1C 160706344 OBFNAMRGYSPDKD-ZHACJKMWSA-N 314.454 4.528 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1c(F)cccc1Cl 175026247 UKPKMSAFAFOSHK-NEPJUHHUSA-N 302.780 4.763 30 20 DJED CCSc1ccc([C@@H](C)NCc2cc(C#N)cs2)cc1 177696102 VPKDIIXJMNAWFM-GFCCVEGCSA-N 302.468 4.583 30 20 DJED CC(C)(CCC#N)CNc1ccc(-c2ncc3n2CCCC3)cc1 178193925 YLPWJGPRGRFVBT-UHFFFAOYSA-N 322.456 4.628 30 20 DJED C[C@@H](Nc1ccc2nc(C3CC3)oc2c1)c1cccc(C#N)c1 182892470 BAYRFUYTYDYSSL-GFCCVEGCSA-N 303.365 4.750 30 20 DJED O=C1/C(=C\c2ccccc2OC(F)F)CCc2ccccc21 213894979 YSLKTWJWBGMKMI-KAMYIIQDSA-N 300.304 4.501 30 20 DJED CCOc1ccc(Oc2ccc(C#N)c(Br)c2)cc1 228200003 QPYFXJJKVUBNAY-UHFFFAOYSA-N 318.170 4.512 30 20 DJED N#Cc1ccccc1/C=C\C(=O)Nc1cccc(Cl)c1Cl 255032946 QFTAKQKVXOYEKH-HJWRWDBZSA-N 317.175 4.517 30 20 DJED CC(C)CCOc1ccc(CNc2ccc(OCC#N)cc2)cc1 323823239 FMNXHMNRCGJHQI-UHFFFAOYSA-N 324.424 4.626 30 20 DJED C[C@@H](CCc1cccc(F)c1)N[C@H](CCC#N)c1ccccc1 358336089 CEJUPIRKXAVFDR-OXJNMPFZSA-N 310.416 4.781 30 20 DJED N#CCCCC(=O)N(Cc1ccc(Cl)cc1)c1ccccc1 361671553 CJQMGKNRILMHOC-UHFFFAOYSA-N 312.800 4.567 30 20 DJED C#CCCCC(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 365406696 DVJJEHNZUGUERO-MRXNPFEDSA-N 323.358 4.563 30 20 DJED C=CCCCC(=O)N(CC)[C@@H](c1ccc(C)cc1)c1cccnc1 365762762 CRCYKFQMUBZGLN-NRFANRHFSA-N 322.452 4.684 30 20 DJED C[C@H](C(=O)Nc1scc(C(C)(C)C)c1C#N)c1ccsc1 410932813 ZDFRBMHRNWDZFF-JTQLQIEISA-N 318.467 4.721 30 20 DJED CCN(CCC#N)C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 439141295 RLCVVWFKVQOHDX-UHFFFAOYSA-N 324.424 4.620 30 20 DJED Cc1cccc(COc2cccc(N[C@@H]3CC[C@@H](C#N)C3)c2)c1 442864472 ZTMYUVZQOWDDJR-VQIMIIECSA-N 306.409 4.678 30 20 DJED CC(C)[C@H](NCCCCC(C)(C)C#N)c1ccc(F)cc1F 444669626 FQCDENMUQHECLY-KRWDZBQOSA-N 308.416 4.972 30 20 DJED C=CCCC[C@@H](C)NC(=O)Nc1cccc(-c2ncco2)c1C 455492745 RCQBPNJNKHCSFY-CYBMUJFWSA-N 313.401 4.516 30 20 DJED N#C[C@@H]1CCC[C@H](NCC2(c3cccs3)CCCCC2)C1 463238157 ZHAGWZITZCLURU-CVEARBPZSA-N 302.487 4.622 30 20 DJED COc1ccc(-c2ccc(CN[C@H]3CCC[C@@H](C#N)C3)cc2)cc1 463298600 DOMKWULITBTEHZ-XLIONFOSSA-N 320.436 4.534 30 20 DJED COc1ccc(-c2ccc(CN[C@@H]3CCC[C@@H](C#N)C3)cc2)cc1 463298601 DOMKWULITBTEHZ-YLJYHZDGSA-N 320.436 4.534 30 20 DJED N#CCSCCCN1CCCCC[C@@H]1c1ccc(Cl)cc1 466725785 YYTJLGSKJKANID-QGZVFWFLSA-N 322.905 4.904 30 20 DJED C=CCCC(=O)N1CCC(CC)(c2ccc(Cl)cc2)CC1 470692402 FLNSUFMSNXCFTB-UHFFFAOYSA-N 305.849 4.576 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(C)cc1C 471121803 JZZDMPASWQRBGP-UHFFFAOYSA-N 308.425 4.914 30 20 DJED Cc1ccc(SC[C@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 471603284 SELSOKFJMMDJSX-HOTGVXAUSA-N 310.466 4.698 30 20 DJED CCC(C)(C)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 472759095 YEHREHZXEHZJKA-UHFFFAOYSA-N 323.396 4.661 30 20 DJED Cc1cc(CNc2ccc(C#N)cc2F)c2[nH]c(C)c(C)c2c1 480447920 MUMFIRIUSQUKHJ-UHFFFAOYSA-N 307.372 4.716 30 20 DJED Cc1ccc([C@@H](C)N[C@H]2CCCCc3cc(C#N)ccc32)cc1 481919115 ICNSMAOHXHGVAI-IERDGZPVSA-N 304.437 4.985 30 20 DJED C=CC[C@H](C(=O)N(C)c1cccc(SC)c1)c1ccccc1 488339576 NYYILILJOSSRHV-SFHVURJKSA-N 311.450 4.731 30 20 DJED C[C@H](c1cccc(Cl)c1)N(C)Cc1ccc(F)cc1C#N 489545439 GBBMNNXXRFFLJO-GFCCVEGCSA-N 302.780 4.544 30 20 DJED C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CC(C)(C)C#N 499336819 ALEVCQMUSACYEV-INIZCTEOSA-N 320.436 4.813 30 20 DJED CC[C@@H](C)Oc1ccc(Nc2ncc(C#N)cc2Cl)cc1 513602169 DDIFSMJBORUOHF-LLVKDONJSA-N 301.777 4.528 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCC(C)(C)C1 514221476 DQVLMQJTSXJPOD-KBPBESRZSA-N 316.470 4.703 30 20 DJED N#Cc1ccc(SCc2cc(-c3ccccc3)no2)c(F)c1 524727361 WYGIGEYEIRFRHY-UHFFFAOYSA-N 310.353 4.645 30 20 DJED C=CCCCCCN(C)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 532578963 RJAYFHUKXTZFSZ-INIZCTEOSA-N 313.445 4.784 30 20 DJED C=C[C@H](CC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccccc1 535330641 RTGJTSPUPXZTBW-OAHLLOKOSA-N 324.380 4.510 30 20 DJED C=C[C@H](CC(=O)N(CC)Cc1ccccc1C)c1ccccc1 535333959 ZCZMBPZRETUDAT-GOSISDBHSA-N 307.437 4.703 30 20 DJED CCC(C)(C)c1ccc(NCCCC2(C#N)CCOCC2)cc1 540834343 SIRJZIVULDMOOQ-UHFFFAOYSA-N 314.473 4.887 30 20 DJED N#CCc1ccc(COc2ccc(Oc3ccccn3)cc2)cc1 543141733 DDCHMSCGMJLUPQ-UHFFFAOYSA-N 316.360 4.519 30 20 DJED N#C[C@H]1CC[C@@H](N2CCC(c3cccc4ccccc34)CC2)C1 555334596 YHNILAAOLCDHTJ-QFBILLFUSA-N 304.437 4.711 30 20 DJED CC[C@@H](N[C@H](C)c1c(F)cccc1F)c1ccc(C#N)cc1 569553514 WXIPZPHEEDIDSS-SJKOYZFVSA-N 300.352 4.638 30 20 DJED C[C@](C#N)(NC(=O)c1ccc(C2CCC2)cc1)C1CCCCC1 571468380 GBXHSDWEJMJXRR-HXUWFJFHSA-N 310.441 4.546 30 20 DJED CSCCCSc1c(C#N)cnc2c(Cl)cccc12 573797262 CTVVNTNPKHFXBU-UHFFFAOYSA-N 308.859 4.605 30 20 DJED CC(C)(C#N)c1ccc(CN[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 592212349 SBIDNMGGQRQKOR-JKSUJKDBSA-N 324.390 4.698 30 20 DJED C=CC[C@H](C)NC(=O)c1cc2sc3ccccc3c2s1 604880081 QQCDNPPMTDLTFF-JTQLQIEISA-N 301.436 4.810 30 20 DJED C=C(C)COc1cccc(NC(=O)[C@H](C)c2cccc(C)c2)c1 606777423 PVSBRQRSXLMGKJ-MRXNPFEDSA-N 309.409 4.692 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2Nc1cccc(OC(F)F)c1 611466592 TZIRHKMYRXUUQM-QGZVFWFLSA-N 314.335 4.649 30 20 DJED C=C(C)[C@H](NC1CCC(OCC)CC1)c1ccc(F)c(F)c1 657981348 GJAIMEYNUJYRKJ-JMLCCBQJSA-N 309.400 4.519 30 20 DJED C#Cc1cccc(NC(=S)N(c2ccc(C)cc2)C(C)C)c1 726491279 XTJHWZMAJKFPNI-UHFFFAOYSA-N 308.450 4.588 30 20 DJED CC[C@@H](/N=C\c1c(O)ccc2ccccc12)c1nc(C)cs1 729641397 HCEGXTUMRSZCTJ-DZGUVLCISA-N 310.422 4.881 30 20 DJED COc1ccc(/C=C\C(=O)c2cccc(C)c2)c(OC(F)F)c1 734096304 LZMMLYRYYQISOL-CLFYSBASSA-N 318.319 4.501 30 20 DJED COc1cc(/C=C\C(=O)C2CCCCC2)cc(Cl)c1OC 747003820 OMIDSZBMSLBADJ-HJWRWDBZSA-N 308.805 4.520 30 20 DJED O=C1/C(=C\c2cccc(-c3ccccn3)c2)Cc2ccc(F)cc21 747693031 KUGNPYAAIVGUNQ-BOPFTXTBSA-N 315.347 4.710 30 20 DJED COc1cc(C(=O)/C=C/c2ccc(F)cc2C)ccc1SC 750910890 WFCGUULTXOCKDB-VMPITWQZSA-N 316.397 4.761 30 20 DJED C/C=C/COc1ccc(CCC(C)=NOCC(F)(F)F)cc1 764835595 MIOLBYGGNUVESJ-HOCVVHBESA-N 315.335 4.529 30 20 DJED C#CC[C@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1ccccc1 773106240 KYAXHABGZXITLP-ACJLOTCBSA-N 301.792 4.894 30 20 DJED CC(C)(C#N)CCCOC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 783562107 WOTAURGKTNEPIE-MOPGFXCFSA-N 321.420 4.816 30 20 DJED N#CCOc1ccc(CSCc2ccccc2C2CC2)cc1 786057118 SJUAZCFEKGXNAB-UHFFFAOYSA-N 309.434 4.900 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C\c1cnc(-c3ccco3)s1)C2 789141949 IICBUXCAPZYWHQ-LCYFTJDESA-N 307.374 4.534 30 20 DJED CSc1ccc(C(C)=NNc2ncccc2C)c(Cl)c1 790190933 OBFYMCGFVKZOBN-UHFFFAOYSA-N 305.834 4.601 30 20 DJED C=CCC[C@@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1ccco1 796880534 FJJBWUVVIUDANS-ZWKOTPCHSA-N 313.397 4.567 30 20 DJED CC(C)(C)CCCC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797568742 LPRCXVUDCLRCEC-LBPRGKRZSA-N 306.475 4.833 30 20 DJED N#Cc1ccccc1C(=O)/C=C\c1cc(F)cc(C(F)(F)F)c1 799499804 OLPRLPPIBJIKRV-WAYWQWQTSA-N 319.257 4.612 30 20 DJED CCOc1ccc(/C=C/C(=O)c2c(F)cccc2Cl)cc1F 809159700 UXFBMZTYQCWXPB-SOFGYWHQSA-N 322.738 4.913 30 20 DJED C#C[C@@H](NCc1cnc(C(C)C)s1)c1ccc(Cl)cc1F 809699349 QPZNITJRYVVZPC-OAHLLOKOSA-N 322.836 4.523 30 20 DJED N#CC1(c2ccc(-c3cccc4ccoc34)cc2)CCOCC1 844234726 UNLZBDTZOYLGEC-UHFFFAOYSA-N 303.361 4.672 30 20 DJED O=C1/C(=C/c2ccsc2)COc2c(Cl)cc(Cl)cc21 912859337 ZVZHVTXSGJMFPG-YCRREMRBSA-N 311.189 4.714 30 20 DJED Cc1cc(/C=C\C(=O)c2ccc(OC(C)C)cc2)cc(C)c1O 916131587 ZTDWIWGTYBPKCZ-YHYXMXQVSA-N 310.393 4.692 30 20 DJED Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(F)F)cc2)c1 916155936 PYYSQPXRGIWAJN-JXMROGBWSA-N 302.320 4.801 30 20 DJED Cc1cc(CN2CCC(c3ccc(Cl)cc3)CC2)ccc1C#N 1205495935 KAIYZSWZOMPUMT-UHFFFAOYSA-N 324.855 4.900 30 20 DJED CCc1ccc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 1307488923 ZLJZOCJRWQBNDS-RTWAWAEBSA-N 304.437 4.521 30 20 DJED C[C@@H](Oc1ccc2ccccc2c1)c1nnc(C#CC(C)(C)C)o1 1327330593 CBWFGGSZGJIFCB-CQSZACIVSA-N 320.392 4.760 30 20 DJED CC[C@H](OC(=O)CC1(C#N)CCCCC1)c1cccc(OC)c1 1520592820 WFTVFUNWEDCYGC-KRWDZBQOSA-N 315.413 4.554 30 20 DJED CC1(C)[C@@H](c2ccccc2)CCN1C(=O)CC1(C#N)CCCCC1 1528979831 QDGWLIAQXZKYAU-GOSISDBHSA-N 324.468 4.645 30 20 DJED N#Cc1csc(C(=O)N[C@H](CC2CCCC2)c2ccccc2)c1 1536369276 QVJJVFIEEKXBQC-QGZVFWFLSA-N 324.449 4.671 30 20 DJED Cc1cc(Cl)cc(C(=O)N(c2cccc(C#N)c2)C2CCC2)c1 1617598838 BRVOPRUBZQOWHA-UHFFFAOYSA-N 324.811 4.719 30 20 DJED CC[C@H](Cc1ccc(C)cc1)N(CC)Cc1ccc(CC#N)cc1 1641865889 QETRLJXEFXFJIE-JOCHJYFZSA-N 320.480 4.904 30 20 DJED CCCCN(CCOc1cccc(C#N)c1)[C@@H]1CCC[C@@H](C)C1 1643245079 CTGZFSIRRBHZQB-IEBWSBKVSA-N 314.473 4.618 30 20 DJED CCCN(C(=O)Nc1scc(C(C)(C)C)c1C#N)C(C)C 1662085094 ZTJMQBWAPYTPCP-UHFFFAOYSA-N 307.463 4.570 30 20 DJED C=CC[C@@]1(C(=O)O)CCCN(CC2CCC(C(C)(C)C)CC2)C1 1776153644 QJWINBWZXUOONR-LBXVMSDZSA-N 321.505 4.582 30 20 DJED CC(C)[C@H]1/C(=C/c2ccc(F)c(C(=O)O)c2)C(=O)c2ccccc21 1776308893 WEKRZSYMOPGPHR-CFINBHSISA-N 324.351 4.543 30 20 DJED CC(C)Cc1ccccc1/C=C\C(=O)c1ccc(C(=O)O)s1 1776341326 UXVRTXWLUIUMNY-FPLPWBNLSA-N 314.406 4.541 30 20 DJED O=C(/C=C/c1cnn(-c2ccccc2)c1)c1cccc2ccccc12 169411079 KNQLGZQHCCQQBI-BUHFOSPRSA-N 324.383 4.922 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)CC/C=C/c2ccccc2)cc1 172393156 LKTLWJVQVJXMAI-UXBLZVDNSA-N 318.420 4.920 30 20 DJED Cc1ccc(N[C@H](C)c2ccc(OCC#N)cc2)c2cccnc12 193011624 NOTVMGFGCVROPM-OAHLLOKOSA-N 317.392 4.619 30 20 DJED CCC[C@@H](NC(=O)Nc1cc(C#N)ccc1C)c1ccccc1 195736900 UKIFGYXZGWPMJG-QGZVFWFLSA-N 307.397 4.530 30 20 DJED CC(C)Oc1ccc(/C=C\C(=O)c2ccc(F)c(F)c2)cc1 206964197 AOHQRKIOGRVGQP-YHYXMXQVSA-N 302.320 4.648 30 20 DJED O=C(/C=C\c1ccc(F)cc1)c1cc(Br)cs1 210592628 UYHQOGVRJUGKEG-UTCJRWHESA-N 311.175 4.546 30 20 DJED CC[C@H]1CC[C@H](C(=O)Nc2ccccc2SCCC#N)CC1 252018448 YLAXYDNIAHXDCB-SHTZXODSSA-N 316.470 4.847 30 20 DJED C[C@H](c1ccc2ccccc2c1)N(C(=O)CCCC#N)C1CC1 291426279 GQJZIKFUYRYUFD-OAHLLOKOSA-N 306.409 4.586 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)CCC1CCCC1 301747027 AGFASRAVKQAIDV-UHFFFAOYSA-N 311.878 4.887 30 20 DJED N#CC1(CSCc2ccccc2OCC(F)(F)F)CCC1 419427491 HOSUFILUQPIUEN-UHFFFAOYSA-N 315.360 4.555 30 20 DJED CC(C)[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 424332548 SZEQHXZEXGEODL-MAZHCROVSA-N 310.363 4.684 30 20 DJED CC[C@H](NCc1ccc2ccccc2c1)c1ccc(C#N)cc1 447533490 XTGJCLNYZXUZMK-NRFANRHFSA-N 300.405 4.952 30 20 DJED C=CCC[C@H](N[C@@H]1CCC[C@@H](c2ccnn2C)C1)c1ccccc1 448021139 GXPBZSLIEGAHGG-AQNXPRMDSA-N 323.484 4.743 30 20 DJED C=CCC1(C(=O)Nc2cc(CN(C)C)ccc2C)CCCCC1 450106023 QXTYOXCOAYSAKB-UHFFFAOYSA-N 314.473 4.522 30 20 DJED C[C@@H](NCC(C)(C)CCC#N)c1ccc(Oc2ccccc2)cn1 453241737 ZMEZAHKVNGIAJA-MRXNPFEDSA-N 323.440 4.854 30 20 DJED C=CC[C@@H](CC)NC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 466376469 ISVONWZZRHWQQH-VQIMIIECSA-N 312.457 4.593 30 20 DJED CCCC[C@H](CC)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 468362965 RJBXCNXBLNNQMM-YTQUADARSA-N 312.457 4.501 30 20 DJED Cc1ccc([C@@H]2CCCCN2c2ncc(C#N)cc2Cl)cc1 487656636 OATXNTQXFZNJOP-KRWDZBQOSA-N 311.816 4.647 30 20 DJED N#CCN(Cc1ccc(-c2ccc(Cl)cc2)s1)C1CC1 511971781 LMCJAZFOPFXNCS-UHFFFAOYSA-N 302.830 4.556 30 20 DJED C=CCN(C(=O)C[C@H](Cc1ccccc1)c1ccccc1)C1CC1 537991023 QVTKMIDJGWKDHF-FQEVSTJZSA-N 319.448 4.580 30 20 DJED C=C(CC)CS[C@H](C)C(=O)Nc1ccc(F)cc1Cl 537993174 MCZWAGIIUUSUNU-SNVBAGLBSA-N 301.814 4.506 30 20 DJED CCC(C)(C)OCc1ccccc1NCc1ccc(C#N)s1 542688919 LBKJMRSPHCZDMD-UHFFFAOYSA-N 314.454 4.937 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NCc1csc2ccccc12 557518163 VEINYRBHUQJYMN-LJQANCHMSA-N 318.445 4.940 30 20 DJED C=C[C@@H](CC(=O)N(C)c1cc(Cl)ccc1C)c1ccccc1 575016119 DZMLKRMWCNCVRR-HNNXBMFYSA-N 313.828 4.971 30 20 DJED C[C@H](Nc1ccc2c(c1)C(=O)CCCC2)c1cccc(C#N)c1 576505089 XFCNSSHTHSVCRC-AWEZNQCLSA-N 304.393 4.640 30 20 DJED Cc1c(C(=O)Nc2ccccc2CC#N)sc2cc(F)ccc12 579521300 XJSWJHCUVMGTFZ-UHFFFAOYSA-N 324.380 4.667 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(C(F)F)cc1 581344082 MSHBWPWNBMVJCY-SFHVURJKSA-N 312.363 4.663 30 20 DJED CC1(C)CCC(C)(C)N(C(=O)C[C@@H](CC#N)c2ccccc2)C1 600229778 XLEJUWNYRGMDPO-QGZVFWFLSA-N 312.457 4.501 30 20 DJED N#Cc1ccc(Cl)cc1NCc1ccccc1OCC1CC1 610077238 LCTAGSMFJWUWTM-UHFFFAOYSA-N 312.800 4.613 30 20 DJED C[C@H]1CCC[C@@H](c2noc(-c3cc4ccccc4n3CC#N)n2)C1 612911177 KJZCNLSBXJWDGP-DZGCQCFKSA-N 320.396 4.509 30 20 DJED CC(=NNc1cc(F)c(F)cc1F)c1ccc(Cl)s1 734301522 CHPJSZGXGFSYPC-UHFFFAOYSA-N 304.724 4.655 30 20 DJED CC(C)c1nc(C#N)c(NN=C(CC(C)(C)C)c2ccccc2)o1 745612113 PJTQTRWJRFPCRO-UHFFFAOYSA-N 324.428 4.922 30 20 DJED C=CCN(C(=O)Nc1ccc2nc(C3CC3)sc2c1)C(C)C 746674492 QUKLAGYPKRTENM-UHFFFAOYSA-N 315.442 4.602 30 20 DJED C[C@@H](OC(=O)[C@@H](C)c1ccc(Cl)s1)c1cccc(C#N)c1 750698530 YBWRAFLCFBCKMG-WDEREUQCSA-N 319.813 4.681 30 20 DJED O=C(/C=C/C=C/c1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 750897170 XQIARIKUJFCWAI-VNQMDCGWSA-N 319.316 4.793 30 20 DJED C=CCCc1csc(C2(NC(=O)OC(C)(C)C)CCCC2)n1 761187465 JVOCNZIMDYNEFM-UHFFFAOYSA-N 322.474 4.556 30 20 DJED N#Cc1c(F)ccc(/C=C/C(=O)c2c[nH]c3ccccc23)c1Cl 761479100 WZGZZBJVNQTYIS-SOFGYWHQSA-N 324.742 4.728 30 20 DJED C=C(C)[C@H](NC(=O)C(C)=C1CCCC1)c1ccc(F)c(F)c1 774545213 PWHBYTOQOBFJEE-KRWDZBQOSA-N 305.368 4.589 30 20 DJED C#CC[C@@H](NC(=O)Nc1cc(SC)ccc1C)c1ccccc1 776030501 VLGXTPRPXKLSNJ-QGZVFWFLSA-N 324.449 4.603 30 20 DJED FC(F)(F)Oc1ccccc1NN=Cc1cscc1Cl 777453853 TXCXWFGSJACGRX-UHFFFAOYSA-N 320.723 4.746 30 20 DJED CCCCCCCCC/C=C\C(=O)N1CCC[C@H]1c1ncc[nH]1 777455305 ALENLNJDDSOHFF-QFSNBGPKSA-N 317.477 4.770 30 20 DJED N#CC[C@@H](CC(=O)NCC1CCCCCCC1)c1ccccc1 793137648 XLDIEMGVSOZZLC-IBGZPJMESA-N 312.457 4.551 30 20 DJED Clc1cc(Cl)c(NN=C2CCC[C@H]3C[C@@H]23)nc1Cl 800806894 IVYTZXLYISCNCF-NKWVEPMBSA-N 304.608 4.630 30 20 DJED N#C[C@@H](C(=O)CCC1CCCCC1)c1nc(C2CC2)cs1 842938011 JQALIOWNLUBGEE-AWEZNQCLSA-N 302.443 4.557 30 20 DJED CCCNc1ccc(CN[C@@H](CC)c2cccc(C#N)c2)cc1 902973330 RENRSUZBBVQMDB-FQEVSTJZSA-N 307.441 4.621 30 20 DJED C=CCN(Cc1cccs1)C(=O)/C=C\c1ccc(Cl)cc1 917525171 PCEMFUXXMJUSJK-YFHOEESVSA-N 317.841 4.630 30 20 DJED C[C@H](CC(C)(C)C#N)N[C@H](CC(F)(F)F)c1ccc(F)cc1 925672900 KCRGZOAPXBRDSW-BXUZGUMPSA-N 316.342 4.737 30 20 DJED CC(C)(C)CCNC(=O)c1ccccc1Oc1ccccc1C#N 1124973442 ZLFYAYRBUGGKLU-UHFFFAOYSA-N 322.408 4.517 30 20 DJED N#Cc1cccc(C#N)c1NCC1(c2ccccc2)CCCCC1 1162055315 CITLZLYQJWKYOY-UHFFFAOYSA-N 315.420 4.744 30 20 DJED Cc1ccc(C#N)c(Nc2ccc(C)c(OCCC(C)C)c2)n1 1162584671 MTEUMSTYRWIUOU-UHFFFAOYSA-N 309.413 4.739 30 20 DJED CCCCN(CCOc1ccccc1C#N)[C@@H]1CCC[C@H](C)C1 1170679370 CIWNNPXLYWAPGX-PKOBYXMFSA-N 314.473 4.618 30 20 DJED CC[C@@H](Cc1ccc(Cl)cc1)N[C@@H](C)c1cccc(C#N)c1 1183800157 MHHLXJNNWGSWHT-LIRRHRJNSA-N 312.844 4.884 30 20 DJED C[C@@H](OC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1cccc(C#N)c1 1266018823 KTCAFMXSEAZMDH-SKWUIDRYSA-N 311.425 4.769 30 20 DJED Cc1c(C#N)c(S[C@H](C)c2ccc(F)cc2)nc2c1CCC2 1307272281 LLDVOLCYERXLHN-GFCCVEGCSA-N 312.413 4.743 30 20 DJED C=CC[C@@H](C(=O)NCc1cccc(C(F)F)c1)c1ccccc1 1321581376 UZSSZXNJNWVZJO-QGZVFWFLSA-N 315.363 4.600 30 20 DJED CC/C(=C\c1nnc(-c2cccc(C#N)c2)o1)c1ccc(C)cc1 1322343174 OSLFBFMWRWLDNV-FOWTUZBSSA-N 315.376 4.867 30 20 DJED Cc1c(C#N)cccc1NC(=O)CCc1ccc(C(C)C)cc1 1435498034 VUKAMWRXWKQYGV-UHFFFAOYSA-N 306.409 4.561 30 20 DJED CC(C)[C@@H]1CCCCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 1458361753 ZKIVSQFTKAGYSO-SFHVURJKSA-N 312.457 4.529 30 20 DJED Cc1cc(C#N)ccc1CSc1ncc(-c2ccc(F)cc2)o1 1472969730 MBYQQFFFBCNXJJ-UHFFFAOYSA-N 324.380 4.953 30 20 DJED N#Cc1cnc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(F)c1 1559051737 QADOUFGPSKMUBI-UHFFFAOYSA-N 316.641 4.557 30 20 DJED C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1cccc(C2CC2)c1 1583774719 SHOTXANWHHNWJQ-GFCCVEGCSA-N 324.811 4.580 30 20 DJED N#Cc1nc(N2CCCC3(CCCCC3)CC2)ccc1Cl 1639785228 UVKYJNVIIOPAQH-UHFFFAOYSA-N 303.837 4.547 30 20 DJED Cc1cc(Oc2ccc(Cl)c(C(F)(F)F)c2)ncc1C#N 1641965376 OZJCATZUQQOFEV-UHFFFAOYSA-N 312.678 4.726 30 20 DJED CC[C@H]1CCCC[C@H]1CNc1nc(C(F)(F)F)ccc1C#N 1642735294 YNMYJTSIDPDRIB-AAEUAGOBSA-N 311.351 4.600 30 20 DJED Cc1nc(N(Cc2ccccc2)CC(C)C)c(Cl)cc1C#N 1650693998 QPNYPWYPBDMJTM-UHFFFAOYSA-N 313.832 4.578 30 20 DJED Cc1ccc(CN(Cc2ccc(C#N)cc2)CC(C)C)cc1C 1652372803 CWYVAHRRBHXNQE-UHFFFAOYSA-N 306.453 4.833 30 20 DJED CC[C@H]1CCCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 1652646566 SAPOVURZUVWUBY-KRWDZBQOSA-N 304.437 4.847 30 20 DJED C=C(Cl)CN1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 1652890750 TWUWDFLZQCXSIE-LJQANCHMSA-N 313.828 4.547 30 20 DJED N#CCc1ccc(CN2CCC(=Cc3cccc(F)c3)CC2)cc1 1653827480 YJXIZDWKKXBSKW-UHFFFAOYSA-N 320.411 4.571 30 20 DJED COc1ccc(C#N)cc1N[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 1658799643 HTDVHXQEBSFNFR-ZYSHUDEJSA-N 320.436 4.951 30 20 DJED N#C[C@@H]1CCC[C@H](Nc2cccc(OCc3ccccc3)c2)C1 1665391936 MCRPMZFXNCZYAI-MSOLQXFVSA-N 306.409 4.760 30 20 DJED N#Cc1ccc(CN[C@H]2CCSc3ccc(Cl)cc32)cc1 37073339 ZPMCWABVGSUZAT-INIZCTEOSA-N 314.841 4.538 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccccc1SC 43317722 GPUGNFVWEVXVDX-UHFFFAOYSA-N 312.438 4.629 30 20 DJED CCCCSc1nnc(SCc2ccc(C#N)cc2)s1 48395916 RQCSQLWLCJFGDU-UHFFFAOYSA-N 321.496 4.594 30 20 DJED O=C1/C(=C/c2nc(-c3ccccc3)cs2)Cc2ccccc21 60370827 HJHHFKGRQYBHEY-RVDMUPIBSA-N 303.386 4.633 30 20 DJED C=C(C)CNC(=S)N(CCC)[C@H](C)c1cc2ccccc2o1 64903648 AXXZQPWDXFMNJD-CQSZACIVSA-N 316.470 4.656 30 20 DJED Cc1cc(NCc2ccc(O[C@@H](C)C#N)cc2)ccc1OC(C)C 151883561 PMSMRUDUMXNIHV-INIZCTEOSA-N 324.424 4.685 30 20 DJED C[C@@H]1Cc2ccccc2[C@H]1Nc1cccc(OCCCC#N)c1 179824934 XNPFMWNOKHJDNZ-QRWLVFNGSA-N 306.409 4.715 30 20 DJED Cc1cc(C#N)ccc1CN(C)[C@@H](C)c1nc2ccccc2s1 186262206 QNZUBEHQTCHZTR-AWEZNQCLSA-N 321.449 4.669 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H]2CCC[C@@H]2C1 191509491 KBJCJFWWRDPBAG-IAGOWNOFSA-N 312.457 4.802 30 20 DJED O=C(/C=C\c1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 206980056 XJXGLGMZGVEUMD-YFHOEESVSA-N 321.254 4.510 30 20 DJED CC(=NN=C(c1ccccc1)c1ccccc1)c1scnc1C 254294172 SCJKVQOLNFQSCT-UHFFFAOYSA-N 319.433 4.713 30 20 DJED C[C@@H](NCCCCC(C)(C)C#N)c1ccc(OC(F)F)cc1 278554291 BAUDDRXDPSKFDR-CYBMUJFWSA-N 310.388 4.659 30 20 DJED N#CCC[C@H](Nc1ccnc2c(F)cccc12)c1ccccc1 302675787 MSWCWUFAFNTJDH-KRWDZBQOSA-N 305.356 4.831 30 20 DJED C[C@H](Nc1ccc(OCC#N)cc1)c1ccc2ccccc2c1O 324117944 GGMRMXIRANMGKN-AWEZNQCLSA-N 318.376 4.621 30 20 DJED CC(C)[C@H]1CC[C@H](C(O)=Nc2ccc3c(c2)C(O)=NC3)CC1 328835422 XDUIUASLCFUINI-JOCQHMNTSA-N 300.402 4.555 30 20 DJED N#CC1CCC(C/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 329084512 FTWMFFZWFYGIRI-YXYCDRMUSA-N 302.462 4.879 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NCc1cc(Cl)ccc1F 418148028 SHKPSFSIQGFKFS-GOSISDBHSA-N 314.791 4.518 30 20 DJED C=CCC[C@H](NC(=O)Nc1ccc(OC)cc1)c1ccccc1 435141167 MYCILEOLAZYJIZ-SFHVURJKSA-N 310.397 4.524 30 20 DJED C=C(C)COc1cccc(NC(=O)N2C[C@@H](C)CCC[C@H]2C)c1 438113873 CMBSBQZJGQVGCJ-JKSUJKDBSA-N 316.445 4.684 30 20 DJED C=CC[C@@H](CC)NC(=O)N1CCCC[C@H]1c1ccc(F)cc1F 466407149 AZCBEOKZVPRZHB-PBHICJAKSA-N 322.399 4.556 30 20 DJED C=C(C)[C@@H](Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)OCC 485865738 XKBSTXMSAYHSOF-MRXNPFEDSA-N 314.429 4.558 30 20 DJED Cc1cc(CN[C@H](c2ccc(F)cc2)C2CCC2)ccc1C#N 488234802 SCTBWVBVYJBZGG-FQEVSTJZSA-N 308.400 4.637 30 20 DJED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N(C)c1ccc(C#N)cc1 489902760 WOCOZJKEKUDHBO-WBVHZDCISA-N 318.420 4.511 30 20 DJED CCCCCN(C(=O)c1cccc(CC#N)c1)[C@H](C)CCC 516825283 NXBMAQVWTWCHPP-MRXNPFEDSA-N 300.446 4.574 30 20 DJED C[C@@H]1CCc2c(F)cccc2[C@H]1N[C@@H]1CCc2ccc(C#N)cc21 567798164 FYBAMDBHDMHDIZ-PZVFOTJXSA-N 320.411 4.598 30 20 DJED Cc1ccccc1CNc1ccc(Oc2ccnc(C#N)c2)cc1 583113496 GSIIWMIKDROTFO-UHFFFAOYSA-N 315.376 4.666 30 20 DJED CC(C)(C)Oc1ccccc1NC(=O)CC1(C#N)CCCCC1 597251891 PQDDQLDRVRLTJH-UHFFFAOYSA-N 314.429 4.667 30 20 DJED CC[C@H](c1ccccc1)N(C(=O)c1cc(C#N)cs1)C(C)C 598885365 JDJPUQCRRRPDLB-MRXNPFEDSA-N 312.438 4.622 30 20 DJED C[C@@H](Nc1cc(C#N)c2ccccc2n1)c1c(F)cccc1F 609894703 FNDNPRZNBMVZRL-LLVKDONJSA-N 309.319 4.558 30 20 DJED C[C@H](Cc1ccsc1)Nc1ccc(C#N)cc1C(F)(F)F 609962332 FFSGTHMLZHOINN-SNVBAGLBSA-N 310.344 4.682 30 20 DJED C[C@H](N[C@H](C)CCSc1ccccc1)c1cccc(C#N)c1 611387087 DWAXVKHNYKTKSI-CVEARBPZSA-N 310.466 4.780 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1C 642390665 JQVFDSHLVNZEFY-UHFFFAOYSA-N 314.816 4.869 30 20 DJED C=CCCCCCN(C)C(=O)C1CC(c2ccc(F)cc2)C1 644797611 MVOQZMKWRVRENN-UHFFFAOYSA-N 303.421 4.524 30 20 DJED Cc1ccc(-c2n[nH]cc2/C=C2\Cc3c(C)cccc3C2=O)cc1 729151615 UNULHKRAFBIYMX-MHWRWJLKSA-N 314.388 4.516 30 20 DJED CC(=NNc1nccc2sccc12)c1cc(F)c(F)c(F)c1 730433125 GTMSOOXTCDBEQC-UHFFFAOYSA-N 321.327 4.550 30 20 DJED O=C(/C=C/c1cccc(F)c1F)c1ccccc1C(F)(F)F 730732107 ATBURTDKNNMWPH-CMDGGOBGSA-N 312.237 4.880 30 20 DJED COc1ccc(/C=C2/CSc3c(Cl)cccc3C2=O)cc1 731939699 QZMFCKRLGSPDKF-XFXZXTDPSA-N 316.809 4.721 30 20 DJED O=C1/C(=C\c2ccc(F)cc2)CCOc2c(Cl)cccc21 733749245 UFZFBGHPQKDRPY-BENRWUELSA-N 302.732 4.528 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)[C@H](C#N)c1nc(C)cs1 734079496 RBRZBGKEZVQAIA-GJZGRUSLSA-N 304.459 4.624 30 20 DJED COc1ccc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)cc1 741474617 XRBSVGUDMPWGSC-YFHOEESVSA-N 315.372 4.653 30 20 DJED Cc1ccc(C)c(NN=Cc2cc(C)n(-c3nccs3)c2C)c1 744742640 GFMMDZJYTAIKKG-UHFFFAOYSA-N 324.453 4.613 30 20 DJED O=C1/C(=C/C=C\c2ccccc2[N+](=O)[O-])CSc2ccccc21 750899400 DGCYISXMXPAPHR-CXAZAOQASA-N 323.373 4.523 30 20 DJED C=C(Cl)CNC(=O)c1ccc(C)cc1Sc1ccccc1 752422653 AVWQMCQFOYXBFY-UHFFFAOYSA-N 317.841 4.629 30 20 DJED CC[C@@H](C#N)Oc1cccc(CNC[C@@H](CC)c2ccccc2)c1 767371082 JXNHSIPYJCFFSX-QUCCMNQESA-N 322.452 4.651 30 20 DJED CCCCCCCC(=O)Nc1c(F)cc(C(C)=O)c(F)c1F 770526659 IPRBZTPVCYTJIT-UHFFFAOYSA-N 315.335 4.606 30 20 DJED O=C(/C=C\c1ccc(F)cc1C(F)(F)F)c1cccs1 771844165 GJNXNAKCEBIBJN-XQRVVYSFSA-N 300.276 4.802 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c(F)c1 772803942 WGLLICISVDDOGZ-ZZXKWVIFSA-N 320.150 4.900 30 20 DJED CC(C)Oc1ccc([C@H]2CCCC2=NO[C@@H]2CCCCO2)cc1 776774935 DGCBFODCFDWQRK-IEBWSBKVSA-N 317.429 4.641 30 20 DJED CC(=O)Nc1ccc(C(=O)/C=C\c2ccc(Cl)c(C)c2)cc1 781552259 RTQGTWWRQVUHAX-WMZJFQQLSA-N 313.784 4.503 30 20 DJED CC(/C=C\C(=O)c1ccc([N+](=O)[O-])cc1F)=C/c1ccccc1 821007220 GCDGZINIHBPLFZ-BXUXAFCHSA-N 311.312 4.576 30 20 DJED C=C1CCC(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 888870272 PUEYNIRZYAMVDT-CQSZACIVSA-N 314.454 4.766 30 20 DJED O=C(/C=C/c1ccc2c(c1)CCO2)c1cccc(C(F)(F)F)c1 917517789 ZEPMHGHEONIAAV-GQCTYLIASA-N 318.294 4.536 30 20 DJED CC(C)CN(CCC#N)C(=O)c1cc2c(Cl)cccc2s1 920445551 KFJSJUPGDVCQHJ-UHFFFAOYSA-N 320.845 4.567 30 20 DJED C[C@@H]1CCc2sc(NC(=O)[C@H](C)C(C)(C)C)c(C#N)c2[C@@H]1C 1129474257 KWFPBJHIMJOMMR-UTUOFQBUSA-N 318.486 4.926 30 20 DJED Cc1nc(N[C@@H]2CCc3c(Cl)cccc32)c(Cl)cc1C#N 1162250330 BKYKCRYNAJAALV-OAHLLOKOSA-N 318.207 4.668 30 20 DJED Cc1ccc(SC[C@@H](C)Nc2nc(C#N)c(Cl)s2)cc1 1163083872 KDWCUQSUEROASU-SNVBAGLBSA-N 323.874 4.569 30 20 DJED Cc1ccc(C#N)c(Nc2cccc(COC3CCCCC3)c2)n1 1185106092 HYAIZZDIRNJMBX-UHFFFAOYSA-N 321.424 4.855 30 20 DJED C[C@H](N[C@H]1CCC[C@H]1Cc1ccccc1)c1cccc(C#N)c1 1193499127 YHOFXFRIPJZGGU-NDXORKPFSA-N 304.437 4.620 30 20 DJED C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(C#N)cc1Cl 1198020835 WPAVPVPXOCCLGO-MGPUTAFESA-N 324.855 4.980 30 20 DJED Cc1nc(Oc2cccc(Oc3ccccc3)c2)ccc1C#N 1306915568 GSEXVSZVKCRQQC-UHFFFAOYSA-N 302.333 4.846 30 20 DJED CSc1ccccc1C(=O)/C=C\c1cnc(Cl)c(C)c1 1321179825 LJPWZJAKQGMCFX-FPLPWBNLSA-N 303.814 4.661 30 20 DJED C[C@@H](Nc1nc(C#N)c(Cl)s1)c1cccc2ccccc12 1458049353 LYUNCCWIVYPUMT-SNVBAGLBSA-N 313.813 4.994 30 20 DJED COc1ccc(C#N)cc1CN1C[C@H](C(C)(C)C)c2ccccc21 1460029964 OOCPHMZOYQJYFM-SFHVURJKSA-N 320.436 4.717 30 20 DJED C[C@@H](CC(=O)Nc1ccc(Cl)cc1C#N)C1CCCCC1 1461545610 AVIZMWTUXHEJBE-LBPRGKRZSA-N 304.821 4.757 30 20 DJED C[C@@H](CCc1ccccc1)CNCc1ccc(C#N)c(Cl)c1 1474125728 VEHAJLSBBJOPNP-HNNXBMFYSA-N 312.844 4.570 30 20 DJED CCOC(=O)Nc1ccc(N[C@H]2CCC[C@H](CC)C2)cc1C#N 1474435028 QKEWPIYHMDDFGE-ZFWWWQNUSA-N 315.417 4.507 30 20 DJED Cc1ccc(C)c2c(C)c(C(=O)O[C@H]3CCC[C@@H](C#N)C3)oc12 1528490079 OOFFIJYBZPXYTO-CABCVRRESA-N 311.381 4.597 30 20 DJED Cc1ccccc1C1(C(=O)O[C@@H](C)c2cccc(C#N)c2)CCC1 1533358046 WRRFXQHVNUCOSR-INIZCTEOSA-N 319.404 4.593 30 20 DJED CC[C@H](Cc1ccc(Cl)cc1)Nc1ccc(Cl)c(C#N)n1 1559103863 XKWPPNRMKZTYSW-CYBMUJFWSA-N 320.223 4.693 30 20 DJED CCC[C@@H]1CCCC[C@H]1CNc1c(C#N)nnc2ccccc12 1612487895 MCBCWBUANMDLQY-CABCVRRESA-N 308.429 4.520 30 20 DJED CC(C)c1ccc(C(=O)N(c2ccccc2C#N)C2CCC2)cc1 1617588592 MNDOEPVDJNYAAZ-UHFFFAOYSA-N 318.420 4.881 30 20 DJED CN(CCc1cccc2ccccc12)Cc1ccc(F)c(C#N)c1 1641646032 USNZAZAYUUSHBT-UHFFFAOYSA-N 318.395 4.525 30 20 DJED N#Cc1ncccc1SCCc1c(Cl)cccc1Cl 1656552948 AXFZSGHFLPXNRK-UHFFFAOYSA-N 309.221 4.595 30 20 DJED Cc1cc(CNc2cccc(C#N)c2C)cc(C)c1OC(F)F 1662555773 JHDWERJLHFTHPW-UHFFFAOYSA-N 316.351 4.697 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)Nc1sccc1C#N 1663159569 NJGUVFRLUZTQJX-UONOGXRCSA-N 319.474 4.594 30 20 DJED Cc1c(NN=C[C@@H](C)c2cccc(Cl)c2)cccc1C(=O)O 1776087159 LJMSQXMGHRWXEW-LLVKDONJSA-N 316.788 4.548 30 20 DJED CC(C)Cc1ccc(C(=O)/C=C\c2ccc(C(=O)O)cc2)s1 1776339770 OFAMRQPHDJSAQH-UITAMQMPSA-N 314.406 4.541 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1ccc(C)cc1C 1776783953 BMFGIGGUPASIIE-SFHVURJKSA-N 305.462 4.597 30 20 DJED CCOc1cccc2cc(C(=O)/C=C/c3ccccc3OC)oc12 83201545 NJQCPHIYPJKULR-VAWYXSNFSA-N 322.360 4.736 30 20 DJED C=C[C@H](CC(=O)Nc1c(F)cccc1NC1CC1)c1ccccc1 137184295 OLNKPBJCTSPVHH-CQSZACIVSA-N 324.399 4.698 30 20 DJED CCc1ccc(C(=O)/C=C/c2ccccc2OC(F)F)s1 163996119 HLGZOKWKRCEWJZ-VQHVLOKHSA-N 308.349 4.808 30 20 DJED Cc1ccccc1COc1ccc([C@@H](C)NCCCCC#N)cc1 178643572 ZVWGRLXPSIONSD-GOSISDBHSA-N 322.452 4.919 30 20 DJED Cc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)co1 188744870 NANFXMKSFGUJCD-UHFFFAOYSA-N 318.332 4.504 30 20 DJED C[C@H](NCc1ccc(C#N)c(F)c1)c1cccc2ccccc12 192147564 YLXTUBOJVCVNTE-AWEZNQCLSA-N 304.368 4.701 30 20 DJED C[C@H](C#N)Oc1ccc(/C=C\c2nc3ccccc3s2)cc1 222220536 JMLCYWVLURQFJQ-BIRHUZIMSA-N 306.390 4.758 30 20 DJED CC(=O)Nc1cc(N=Cc2c(O)ccc3ccccc23)ccc1C 255044710 MTCCISWYTQFJFB-UHFFFAOYSA-N 318.376 4.563 30 20 DJED CC[C@H](/N=C(/O)c1coc(C2CCCC2)n1)c1nc(C)cs1 328828845 UGBZKIQCYFPVBO-LBPRGKRZSA-N 319.430 4.553 30 20 DJED Cc1ccc(Cl)cc1N/C(O)=N/[C@@H]1CCO[C@H](CC(C)C)C1 330688407 DDMPDAZFHVTPFM-HUUCEWRRSA-N 324.852 4.568 30 20 DJED N#CCOc1cccc(NC2CC(c3ccc(Cl)cc3)C2)c1 387249080 DMDGHECHDPDQEI-UHFFFAOYSA-N 312.800 4.600 30 20 DJED C[C@H](CCC#N)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 411510439 YNHFHSUHEDOCHD-HZPDHXFCSA-N 303.409 4.568 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1cccc(-c2ccccc2OC)c1 439492243 DIJPNGIUSAFTCR-INIZCTEOSA-N 324.424 4.838 30 20 DJED CCCC[C@H](CC)C(=O)Nc1ccccc1SCCC#N 463947502 GLMPJIWUSDPOHC-AWEZNQCLSA-N 304.459 4.847 30 20 DJED CC#CCCCC(=O)Nc1c(F)cccc1Oc1ccccc1 466864396 KJRLOIDCOXKRQN-UHFFFAOYSA-N 311.356 4.750 30 20 DJED C=C[C@](C)(CC)C(=O)N[C@@H](C)CCc1ccc(OC(C)C)cc1 467741825 SXTSHBWRUSZUAJ-OXJNMPFZSA-N 317.473 4.513 30 20 DJED CCOc1ccc(F)c(NCc2ccc(Cl)cc2C#N)c1F 478373011 SZQYPAPXXVDULV-UHFFFAOYSA-N 322.742 4.501 30 20 DJED N#Cc1cc(Cl)cc(OCc2coc(-c3cccs3)n2)c1 487343832 IGVIKTVHIGOHHQ-UHFFFAOYSA-N 316.769 4.507 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1cc(C(F)(F)F)ccc1C 488539330 TYRIMWJDRUYBDM-CYBMUJFWSA-N 312.335 4.586 30 20 DJED Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)o1 490493413 VOLPTFRPQBAJLI-UHFFFAOYSA-N 318.332 4.504 30 20 DJED Cc1cc2cc(C(=O)Nc3ccc(C#N)cc3Cl)oc2cc1C 494610421 ACDBWLPIWPWTOH-UHFFFAOYSA-N 324.767 4.827 30 20 DJED N#Cc1cccc(C2(NC/C=C\c3ccc(Cl)cc3)CC2)c1 513527375 SHLSIBLYOXMZGF-RQOWECAXSA-N 308.812 4.504 30 20 DJED CCC(C#N)(CC)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl 529075147 WTVIQFNWHZOTPK-SNVBAGLBSA-N 313.228 4.501 30 20 DJED N#CCCCCN[C@@H](c1ccc(Br)cc1)C1CCC1 538174870 GYORDQHDCNGULI-MRXNPFEDSA-N 321.262 4.574 30 20 DJED C=CCCC[C@H](C)NC(=O)c1ccc(OC2CCC2)cc1Cl 540527111 PVBFAMUCYQRPPC-ZDUSSCGKSA-N 321.848 4.746 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1sccc1Cl 555015156 UBVTYTSEIUNCPM-GDBMZVCRSA-N 316.857 4.673 30 20 DJED N#C[C@@H]1CC[C@H](N2CC=C(c3cccc4ccccc34)CC2)C1 555334425 WIDHVALTUFEFQE-APWZRJJASA-N 302.421 4.621 30 20 DJED C=CCCc1ccccc1NC(=O)N1CC2(CCC2)[C@@H]1C1CC1 580017196 RSSAAFSLGZAHDP-SFHVURJKSA-N 310.441 4.602 30 20 DJED CC(C)(C)OCCCCOc1ccc(C(F)(F)F)c(C#N)c1 589269288 VJHQLXBAUMPDJR-UHFFFAOYSA-N 315.335 4.551 30 20 DJED C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)NCCCCC#N 595012032 MVLOYMZQLJDZIN-LLVKDONJSA-N 318.770 4.573 30 20 DJED N#C[C@@H]1CCC[C@H](Nc2ccc(C(F)(F)C(F)(F)F)cc2)C1 618578792 ZUDBBEUCEJQAGN-MFKMUULPSA-N 318.289 4.835 30 20 DJED C=CC[C@@H](CC)NC(=O)c1ccccc1SCc1ccco1 684939887 XRJXOFCRKDHXNY-CQSZACIVSA-N 315.438 4.656 30 20 DJED C=C(C)[C@H](N[C@@H]1CCCc2cccnc21)c1ccc(F)c(F)c1 684962761 XMRPHTFAFGVQIG-MSOLQXFVSA-N 314.379 4.644 30 20 DJED CCOc1cc(C#N)cc(Cl)c1OC(=O)C[C@H](C)CC(C)C 727661158 MEEXNNRZDZGQQF-GFCCVEGCSA-N 323.820 4.588 30 20 DJED CC(C)c1ccc(C(C)(C)NCc2ccc(F)cc2C#N)cc1 730933476 DQDGBLRIWPLAEL-UHFFFAOYSA-N 310.416 4.846 30 20 DJED Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)C1(C#N)CCC1 736011935 CQNICKOQBVZBPV-UHFFFAOYSA-N 324.811 4.948 30 20 DJED C#Cc1cccc(NC(=S)N2CCCCC[C@@H]2c2ccco2)c1 736449813 BLIYFVDBBRSJEJ-QGZVFWFLSA-N 324.449 4.575 30 20 DJED CCc1ccc(C(=O)/C=C\c2cnc3ccc(Cl)cn23)s1 737444199 OYORKJGYRZEWHC-XQRVVYSFSA-N 316.813 4.508 30 20 DJED C=C(C)CN[C@H](c1ccc(OC)cc1)c1ccccc1Cl 739905115 VKWWTCUMSGCTPX-GOSISDBHSA-N 301.817 4.604 30 20 DJED CCCCCCCC(=O)N1CC[C@H](CSc2ccccc2)C1 742850085 OUKOEBNTBHNNFA-KRWDZBQOSA-N 319.514 4.988 30 20 DJED COc1cccc(O)c1C=Nc1ccc(-c2nc(C)cs2)cc1 750948854 AGXYARGYJQALDI-UHFFFAOYSA-N 324.405 4.583 30 20 DJED C#CCCCCNC(=O)Nc1ccc(SC2CCCC2)cc1 758531691 GHKZKHPIMCRESN-UHFFFAOYSA-N 316.470 4.646 30 20 DJED COc1ccsc1/C=C\C(=O)c1cccc(-c2ccncc2)c1 764433135 CNOHAEPXMWWDLK-WAYWQWQTSA-N 321.401 4.715 30 20 DJED C=CC[C@@H](N[C@H](C)c1ccc(OCCC)cc1)c1ccncc1 766020421 PEKOXPXQQYYPOW-OXQOHEQNSA-N 310.441 4.838 30 20 DJED CCc1nc2ccccc2n1N=Cc1c(Cl)cccc1Cl 767358257 CBUQPCLJXCSZCN-UHFFFAOYSA-N 318.207 4.788 30 20 DJED Cc1cc(/C=C\C(=O)c2ccc(O)c(Cl)c2)cc2cccnc12 768758667 WBHRUJWGWCOLPT-XQRVVYSFSA-N 323.779 4.798 30 20 DJED O=C(/C=C/c1cccc2nccn12)c1cc(Cl)ccc1Cl 769603018 VBBLUOUQNNMGSE-FNORWQNLSA-N 317.175 4.537 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 774819533 FFXTYHZIFYHGIM-IPMKNSEASA-N 323.521 4.648 30 20 DJED Cc1cc2c(cc1C)C(=O)/C(=C\c1nc(Cl)cs1)CS2 777471867 TVNILLJGXIYVTQ-YHYXMXQVSA-N 321.854 4.785 30 20 DJED C=CCC[C@@H](C(=O)Nc1cccc(OC)c1F)c1ccccc1 777792663 JTMIZNWIKJNYKB-OAHLLOKOSA-N 313.372 4.523 30 20 DJED Clc1cccc(Cl)c1NN=C1CCC2(CCCO2)CC1 788020288 LCZHLRBSMZMEFR-UHFFFAOYSA-N 313.228 4.885 30 20 DJED COc1ccc(C(=O)/C=C/c2cscc2C(F)(F)F)cc1 811684940 FLTZEMXRMBFGIA-QPJJXVBHSA-N 312.312 4.672 30 20 DJED CC(=NNc1cc(C)ccc1C)c1cnn(-c2ccccc2)c1C 818252227 GHTSWQJZNNHMDS-UHFFFAOYSA-N 318.424 4.634 30 20 DJED C=C(C)[C@@H](N[C@H]1CCc2cccc(O)c21)c1ccc(F)c(F)c1 834768763 FOUMWSSOBDYBQJ-QFBILLFUSA-N 315.363 4.565 30 20 DJED CC[C@@H](CC(F)(F)F)C(=O)Nc1cc2ccccc2cc1C#N 839438160 WFHKGGACYNVNIC-NSHDSACASA-N 320.314 4.629 30 20 DJED C(=NNCc1cccc2cccnc12)c1cccc2ccccc12 915962404 JIYQLUAHNRVCBY-UHFFFAOYSA-N 311.388 4.512 30 20 DJED CC(=NOCc1cccc([N+](=O)[O-])c1C)c1cc2ccccc2o1 917395199 DYKBSOOLMBWCOQ-UHFFFAOYSA-N 324.336 4.590 30 20 DJED CC[C@H](OC(=O)[C@@]1(C#N)CC12CCCC2)c1cccc(Cl)c1 1127816960 MDBCGNIPNVYOFH-YJBOKZPZSA-N 317.816 4.808 30 20 DJED CN(Cc1ccc(C(C)(C)C)cc1)c1ccc(Cl)c(C#N)n1 1306911929 DPFVTONJSCONDG-UHFFFAOYSA-N 313.832 4.541 30 20 DJED Cc1cccc([C@@H]2CCCN2Cc2ccc(Cl)cc2C#N)c1 1307426709 OOCDPYLVRIMGFB-IBGZPJMESA-N 310.828 4.857 30 20 DJED C=C(Cl)CN(Cc1ccccc1Br)CC(C)C 1307525317 XSMYJKSFWXCVMN-UHFFFAOYSA-N 316.670 4.660 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1ccsc1Cl 1308428548 DRPHKOVFDYVWQS-UHFFFAOYSA-N 306.818 4.672 30 20 DJED C=CCC1(c2nnc(Cc3ccc4ccccc4c3)o2)CCC1 1331908403 DFWHGDZIYFTRNF-UHFFFAOYSA-N 304.393 4.811 30 20 DJED CCCCCCCCCCC(=O)N1CC[C@@H]2OCCC[C@H]2C1 1333757090 LKLIFWSCULXZQR-ROUUACIJSA-N 309.494 4.545 30 20 DJED CCCC[C@@H](CC)CC(=O)N(C)c1cc(Cl)ccc1C#N 1355283301 BXYRSQCTYXUACT-CYBMUJFWSA-N 306.837 4.781 30 20 DJED CC(C)[C@@H](CN[C@H](C)CC(C)(C)C#N)c1ccc(Cl)cc1 1462216675 DMSVLGMKLUJEAE-RHSMWYFYSA-N 306.881 4.998 30 20 DJED CC(C)(C)c1ccc(C#N)c(NCCc2ccc(Cl)s2)n1 1472661308 RCINCPNNLPMDIX-UHFFFAOYSA-N 319.861 4.620 30 20 DJED N#Cc1csc(CNC[C@@H]2CCCC[C@H]2c2ccccc2)c1 1560473715 QVVXJIORALBCIY-HKUYNNGSSA-N 310.466 4.683 30 20 DJED N#Cc1ccc(C2CCN(C[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 1561026491 GFUDHPPPGNKVLY-FCHUYYIVSA-N 316.448 4.541 30 20 DJED CO[C@@H]1CCC[C@@H](Sc2ccc(C#N)c(C(F)(F)F)c2)C1 1613667455 IWQVGGSCKWNHAB-VXGBXAGGSA-N 315.360 4.627 30 20 DJED CC[C@H](Nc1nc(C#N)c(Cl)s1)c1ccc(Cl)cc1 1639229367 HNRDFLBAFBLNQW-JTQLQIEISA-N 312.225 4.885 30 20 DJED CC[C@H](Nc1ncc(Cl)c(C)c1C#N)c1ccc(F)cc1 1639685394 AMWLZKMOYALACW-HNNXBMFYSA-N 303.768 4.617 30 20 DJED Cc1cc(OCc2ncc(-c3ccc(Cl)cc3)o2)ccc1C#N 1641098705 RGVOUKKEMACISS-UHFFFAOYSA-N 324.767 4.754 30 20 DJED N#Cc1nnc2ccccc2c1N[C@@H](C1CCCCC1)C1CCC1 1642848833 SEDYZGDDYPMVJH-IBGZPJMESA-N 320.440 4.662 30 20 DJED CC(C)[C@H](CNCc1cc(C#N)cs1)c1ccc(Cl)cc1 1651044316 YRANWWBXPLCZQM-KRWDZBQOSA-N 318.873 4.803 30 20 DJED N#C[C@@H](CCc1ccccc1)Sc1nc2ccccc2s1 1652434169 SPAPCHAETYPHEN-CQSZACIVSA-N 310.447 4.913 30 20 DJED CC(C)(C)CN(CCC#N)Cc1ccc2ccc(Cl)cc2n1 1652547119 XGTYAVGRZWWTCM-UHFFFAOYSA-N 315.848 4.650 30 20 DJED N#CCOc1cccc(NCc2cc(Cl)cc(Cl)c2)c1 37424358 UNDFJJNORIONRR-UHFFFAOYSA-N 307.180 4.508 30 20 DJED N#CCC[C@H](N[C@@H]1CCSc2ccccc21)c1ccccc1 90664517 PHQQAZOWEOLJQX-ZWKOTPCHSA-N 308.450 4.858 30 20 DJED C[C@H](NCc1ccc(F)cc1C#N)c1cccc(Cl)c1Cl 183765306 SSKYOZLFZHEDNP-JTQLQIEISA-N 323.198 4.855 30 20 DJED C=CCC[C@H](C(=O)N(C)c1nc2ccccc2o1)c1ccccc1 186391106 OPKJLSGWECFTSI-INIZCTEOSA-N 320.392 4.541 30 20 DJED O=[N+]([O-])c1cccc(C=NN(c2ccccc2)c2ccccc2)c1 254615322 GTEPSSYAVMWOIG-UHFFFAOYSA-N 317.348 4.767 30 20 DJED CC[C@H](N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(C#N)cc1 278680562 JVODBUSWQYSXIV-ACRUOGEOSA-N 320.436 4.519 30 20 DJED CCCc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 303027425 QFCKPEVSHSTETH-UHFFFAOYSA-N 306.409 4.693 30 20 DJED CC1(C)CCC(COc2cc(Br)ccc2C#N)CC1 308146172 KIKUJHJZQUAEOG-UHFFFAOYSA-N 322.246 4.916 30 20 DJED C/C=C\c1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1 353278380 ZYPDGYCUIOSPPB-NRUPQRNLSA-N 319.408 4.886 30 20 DJED C=CCC[C@@H](C(=O)NC[C@H]1CCCC(F)(F)C1)c1ccccc1 410248509 AEAPJEZJTZVJHV-DOTOQJQBSA-N 321.411 4.678 30 20 DJED C[C@@H](NC(=O)Nc1cccc(CC#N)c1)c1ccc(C2CC2)cc1 417205645 IQAREJOAKFJAPV-CQSZACIVSA-N 319.408 4.513 30 20 DJED CC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)cc1 417370998 SYOGJBVHMAPZIC-LEWJYISDSA-N 315.420 4.548 30 20 DJED C=CCN(C)C(=O)N[C@@H](CCC)c1ccc(Cl)c(Cl)c1 430396668 DGDLRRIQXHTUQD-AWEZNQCLSA-N 315.244 4.662 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2ccc(F)cc2C)CCCC1(C)C 444817664 MNWZTVLQPHDDCA-INIZCTEOSA-N 304.409 4.733 30 20 DJED Cc1cc(COc2ccccc2-c2nccs2)ccc1C#N 447328326 YGUDEUHPABFELF-UHFFFAOYSA-N 306.390 4.569 30 20 DJED CCSCc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1 456497591 QGWCLIWRYKRSKT-AWEZNQCLSA-N 324.449 4.554 30 20 DJED N#CCCCCN1CCC[C@@H](Cc2csc3ccccc23)C1 466953977 YRCDCSZVCGSDHM-INIZCTEOSA-N 312.482 4.850 30 20 DJED N#CC[C@@H](CC(=O)Nc1cccc(Cl)c1F)c1ccccc1 474285857 BNZCXVQMXUXLRR-ZDUSSCGKSA-N 316.763 4.505 30 20 DJED CCCN(Cc1ccccc1)C(=O)C[C@@H](CC#N)c1ccccc1 474412476 NDYGWDICFNBWEK-HXUWFJFHSA-N 320.436 4.513 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1sc(CCC)nc1C 482826610 PIDHKJPFSNAAOF-UHFFFAOYSA-N 320.502 4.613 30 20 DJED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)Cc1ccc(C#N)s1 507215862 WNISKJQPCGGOBN-NSHDSACASA-N 324.371 4.832 30 20 DJED Cc1ccc(Sc2ccc(NC(=O)C(C)(C)C#N)cc2)c(C)c1 515607638 DUSSXSLVRCGLDL-UHFFFAOYSA-N 324.449 4.943 30 20 DJED C=CC[C@H](C)NC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 522652793 CZGSLSJZMQNCKW-ZDUSSCGKSA-N 314.360 4.704 30 20 DJED C=C(C)CN(CC)C(=O)[C@H](C)S[C@H](CC)c1ccc(F)cc1 523391868 OWPHVTPWFKMQIS-WMLDXEAASA-N 323.477 4.823 30 20 DJED Cc1ccc(Cl)cc1NCc1cccc(OCCCC#N)c1 532732927 PJAMMGFDGUDAJF-UHFFFAOYSA-N 314.816 4.943 30 20 DJED CC(C)(C)C[C@H](NC(=O)c1ccc(CC#N)cc1)c1ccccc1 535360179 VMLUCHBPADGXQR-IBGZPJMESA-N 320.436 4.660 30 20 DJED Cc1cc(CNc2cccc(C#N)c2)ccc1Oc1cccnc1 536147271 MYILXZSHZNIQGD-UHFFFAOYSA-N 315.376 4.666 30 20 DJED C=CCN(C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1)C1CC1 537911395 MTWULKFVYJTBSN-AWEZNQCLSA-N 318.486 4.608 30 20 DJED N#CCCCOc1cccc(N[C@@H](Cc2ccccc2)C2CC2)c1 539627034 KHYPKGXELLRMNL-NRFANRHFSA-N 320.436 4.802 30 20 DJED C[C@H](NCC(C)(C)CCC#N)C1CCC(C(F)(F)F)CC1 562046472 WQGWUJOTUOCEHD-HSBZDZAISA-N 304.400 4.663 30 20 DJED C[C@H](N[C@@H]1CCc2sc(Cl)cc21)c1ccc(C#N)c(F)c1 567403649 NPXNGTSSSVXPTC-LKFCYVNXSA-N 320.820 4.750 30 20 DJED N#Cc1ccc2c(c1)[C@H](N[C@@H]1CC[C@H](c3cccc(F)c3)C1)CC2 571129232 IVOSFTJQTNUDMO-FBBABVLZSA-N 320.411 4.611 30 20 DJED C=CCC[C@H](N[C@H](C)c1cc(OC)ncc1F)c1ccccc1 582864143 XOIXKCHXGJPAEL-KDOFPFPSSA-N 314.404 4.587 30 20 DJED C[C@H](N[C@H](C)CC#N)c1ncc(-c2ccc(Cl)cc2Cl)o1 602867929 FPVWZQJBEQQZMF-ZJUUUORDSA-N 324.211 4.601 30 20 DJED CCCC[C@@H](CC)COCc1cccc(NC(=O)[C@H](C)C#N)c1 609921192 XFUKICSSMCCVCN-HZPDHXFCSA-N 316.445 4.518 30 20 DJED CC(C)(C)OCc1ccc(NCc2ccc(C#N)cc2F)cc1 610647858 QJFQTHGAFKTTPW-UHFFFAOYSA-N 312.388 4.625 30 20 DJED Cc1ccccc1[C@@H](C)c1noc(/C=C\c2ccccc2C#N)n1 612980699 WERWRCAVJDIXGB-QYMJWVLRSA-N 315.376 4.572 30 20 DJED C=C(C)[C@@H](CC(=O)N(CCCC)[C@@H](C)c1ccc(C)o1)OCC 677301993 UJDATNBAACNBJZ-FUHWJXTLSA-N 321.461 4.649 30 20 DJED C#Cc1cccc(NC(=S)Nc2ccc(OCCC)cc2C)c1 726472732 RXNHMSHKOWXZOZ-UHFFFAOYSA-N 324.449 4.574 30 20 DJED CCC[C@@H](/N=C\c1c(O)ccc2ccccc12)c1ccccn1 729150398 VBTKFRCVSHWPBM-QWQBBLJPSA-N 304.393 4.901 30 20 DJED CC(C)C[C@H](C)CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730416949 JJMINGVRWISQSI-WCQYABFASA-N 318.417 4.684 30 20 DJED CCCCCCCCC(=O)NCc1nc2ccc(Cl)cc2[nH]1 732160061 QSDUMPHVSCYJNW-UHFFFAOYSA-N 321.852 4.583 30 20 DJED N#Cc1cccc(Cl)c1NC[C@H](O)c1ccc2ccccc2c1 742405096 DPWWAEWLDPWCAZ-SFHVURJKSA-N 322.795 4.510 30 20 DJED CCOc1cc(/C=C2\C[C@H](C)c3ccccc3C2=O)ccc1O 751534748 DFCUDXSQXYDOOO-JMRXEAOASA-N 308.377 4.564 30 20 DJED CC(/C=C\C(=O)c1cc(F)ccc1[N+](=O)[O-])=C/c1ccccc1 752874747 MMSLICGRZXUYFG-BXUXAFCHSA-N 311.312 4.576 30 20 DJED CCC[C@@H](C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)C(C)C 764637135 AUQGBDVYXJPXOP-OLZOCXBDSA-N 318.417 4.684 30 20 DJED CC(C)O[C@@H]1C[C@H](/N=C\c2c(O)ccc3ccccc23)C1(C)C 766008298 FFVCULRRPOXTLW-ZPFDVWHWSA-N 311.425 4.556 30 20 DJED C#CC[C@H](NC(=O)Nc1c(C)cccc1Cl)c1ccccc1 767998833 BVFQWCBLCZKCSR-INIZCTEOSA-N 312.800 4.535 30 20 DJED C=CCn1c(SCc2ccc(Cl)cc2C)nnc1C1CC1 768787919 YYFYNASXHPUKIH-UHFFFAOYSA-N 319.861 4.596 30 20 DJED C[C@H](OC(=O)C1(C#N)CCCC1)c1ccc(Cl)cc1Cl 774653356 KCRMQWRTPRSUFQ-JTQLQIEISA-N 312.196 4.682 30 20 DJED C[C@H](Nc1cccc(Br)c1)c1ccc(C#N)c(F)c1 776777670 MHNXFEVQFAVDLK-JTQLQIEISA-N 319.177 4.633 30 20 DJED Clc1ccc(Cl)c(C=NNC2CCCCC2)c1Cl 786042388 UKVJGAQJVXHTEI-UHFFFAOYSA-N 305.636 4.903 30 20 DJED CCCCCCCCC[S@](=O)Cc1cn2cccc(C)c2n1 790137983 ATVKYUJXHORPQO-QFIPXVFZSA-N 320.502 4.642 30 20 DJED Cc1cccnc1[C@H]1CCCC(=NNc2cccc(Cl)n2)C1 793176041 XBAUZVKBTIFCDM-ZDUSSCGKSA-N 314.820 4.564 30 20 DJED N#CC[C@@H](CC(=O)Oc1cccc2c1CCCC2)c1ccccc1 796749270 WHIVVLAUZCTCSA-SFHVURJKSA-N 319.404 4.558 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(C)o2)cc1OCC(C)C 797195709 RFCQDYDJTJPYJM-SOFGYWHQSA-N 314.381 4.528 30 20 DJED CC(C)(C)c1cnc([C@@H](C#N)C(=O)/C=C\C2CCCCC2)s1 797570534 IFHKVHXZSCABEO-CMUBDUJZSA-N 316.470 4.753 30 20 DJED CCCCCCCCCC(=O)N1CC[C@H](c2ccccn2)C1 798711319 RWTXGLAAHMSNSM-KRWDZBQOSA-N 302.462 4.538 30 20 DJED C#CCCCS[C@H](C)C(=O)Nc1ccccc1[C@@H](C)CC 808363549 KOJJLPVZHSZHBI-LSDHHAIUSA-N 303.471 4.674 30 20 DJED FC(F)(F)c1cscc1C=NNCc1cccc(Cl)c1 811643794 KUGGJYFIZTYCJY-UHFFFAOYSA-N 318.751 4.544 30 20 DJED Cc1cccc(F)c1NN=Cc1cscc1C(F)(F)F 811647313 FXHFRRBVKAFPPA-UHFFFAOYSA-N 302.296 4.660 30 20 DJED COCc1ccccc1/C=C(C)/C=C/C(=O)c1ccccc1F 814186707 NKCBKJKZBRSZSW-NOVYJZLUSA-N 310.368 4.815 30 20 DJED C=CCCc1ccccc1NC(=O)N1CC[C@@H]1c1ccc(F)cc1 931290417 NQTGCSLPKOXQEH-LJQANCHMSA-N 324.399 4.923 30 20 DJED C=C(CNC(=O)c1ccc(-c2ccc(C)o2)s1)c1ccccc1 1129588317 STAXOYMEHQWJIC-UHFFFAOYSA-N 323.417 4.760 30 20 DJED COc1ccc(C#N)cc1N[C@@H]1C[C@H](C)Sc2sccc21 1180742027 UXMBCUXQWOQTEJ-GXFFZTMASA-N 316.451 4.666 30 20 DJED CC(C)Oc1cccc(CNc2cc(C#N)ccc2OC(C)C)c1 1202716093 VUMCVUYEERGJBF-UHFFFAOYSA-N 324.424 4.745 30 20 DJED N#Cc1ccc(CN[C@H]2CC[C@@H](Cc3ccccc3)C2)cc1Cl 1205506830 IACFUNUXOCTBNI-LPHOPBHVSA-N 324.855 4.713 30 20 DJED CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1scc(C(C)(C)C)c1C#N 1205528403 JRBWZZGRVSHLHY-VXGBXAGGSA-N 319.474 4.570 30 20 DJED CC[C@@](C)(C#N)C(=O)Nc1cccc(CCCc2ccccc2)c1 1264904587 NLRVHAQLUYZLJB-NRFANRHFSA-N 320.436 4.740 30 20 DJED CCC[C@@H](CC(C)C)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 1436968720 NJMZXLFTNVLZNX-QAPCUYQASA-N 300.446 4.540 30 20 DJED N#Cc1ncccc1SCc1ccc(-c2cccs2)cc1 1459076263 RBJWTLQMFLMMNM-UHFFFAOYSA-N 308.431 4.974 30 20 DJED C[C@@H]1C[C@H](c2ccccc2)N(Cc2ccc(Cl)cc2C#N)C1 1460079606 XAGONZBXBXCKOQ-AUUYWEPGSA-N 310.828 4.795 30 20 DJED Cc1c(Cl)cccc1-n1ccnc1S[C@H]1CC[C@@H](C#N)C1 1472952790 GIHSDWDYUBEPNN-OLZOCXBDSA-N 317.845 4.619 30 20 DJED Cc1csc(NC(=O)N(C)c2ccc3ccccc3c2)c1C#N 1476559289 SUQKONORWDRRMO-UHFFFAOYSA-N 321.405 4.750 30 20 DJED CC(C)(C)CN(CCC#N)C(=O)CC(C)(C)C1CCCCC1 1520954516 KUZXNZSRTHASRX-UHFFFAOYSA-N 306.494 4.771 30 20 DJED CCC(C)(C)C(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@@H]2C 1523479333 WSTQMXKXBIOFOT-MNOVXSKESA-N 304.459 4.680 30 20 DJED C[C@H]1CCCC[C@@H]1C(=O)Nc1cc(C(C)(C)C)sc1C#N 1535489348 XZDCRYMIIIKEHM-RYUDHWBXSA-N 304.459 4.682 30 20 DJED N#Cc1cccc(OCc2ccccc2Oc2ccccc2)c1 1559352047 YCHGXQXJBKOTJF-UHFFFAOYSA-N 301.345 4.930 30 20 DJED CC(C)[C@@H](CNc1ncc(C#N)cc1Cl)Cc1ccccc1 1642591492 JCLBPEQVBAIIRM-MRXNPFEDSA-N 313.832 4.533 30 20 DJED Cc1cc(C#N)ccc1CN1CC2(CCCC2)c2cccc(F)c21 1642704785 CYJKFRIPPBLVEA-UHFFFAOYSA-N 320.411 4.838 30 20 DJED Cc1nc(N2CCCCC[C@@H]2/C=C/c2ccccc2)ccc1C#N 1655357327 YAYAUPAHUFXYAR-VSFZPWCASA-N 317.436 4.724 30 20 DJED N#Cc1cc2c(nc1OCc1sccc1Cl)CCCCC2 1656823546 XRIDMGXJGKDXLF-UHFFFAOYSA-N 318.829 4.516 30 20 DJED CC(C)CC[C@H](NC(=O)Nc1cc(F)cc(C#N)c1)C(C)(C)C 1673773318 FBKFFFRABVYSPL-INIZCTEOSA-N 319.424 4.670 30 20 DJED CC(C)(C)CC(=NNc1cccc(C(=O)O)c1)c1ccccc1 1776036756 HGGAHLCOVSFAHE-UHFFFAOYSA-N 310.397 4.637 30 20 DJED CC(C)c1ccc2c(c1)CCCN2C(=O)C1(C#N)CCCCC1 72030173 BVCDJNSCKXYSFQ-UHFFFAOYSA-N 310.441 4.563 30 20 DJED N#CCC[C@H](N[C@@H]1CCc2cc(Cl)ccc21)c1ccccc1 90664926 JOVIXBTXBQJNSD-RBUKOAKNSA-N 310.828 4.962 30 20 DJED Cc1coc(-c2ccc(C)c(NCc3ccc(C#N)cc3F)c2)n1 128060778 SODNSCXGYAMJQG-UHFFFAOYSA-N 321.355 4.581 30 20 DJED C#CCC(C)(C)C(=O)Nc1ccccc1NCc1ccccc1C 185039520 JIUWSYHMQJXMMQ-UHFFFAOYSA-N 320.436 4.595 30 20 DJED C[C@@H](NC(c1ccccc1)c1ccccc1)c1cccc(C#N)c1 192930645 XIHOMSGJBCJDJH-QGZVFWFLSA-N 312.416 4.998 30 20 DJED C[C@H]1C[C@@H](Nc2ccc(OCC#N)cc2)c2ccsc2S1 216866046 FRLWFDLIXZKHLS-XHDPSFHLSA-N 316.451 4.688 30 20 DJED C#CCCOc1ccc(CN[C@H](c2ccccc2)C2CCC2)cc1 236685991 SBVONAPPIDJPNR-JOCHJYFZSA-N 319.448 4.720 30 20 DJED COc1ccccc1-c1ccc(C(=O)/C=C\c2cncs2)cc1 254942095 JRESLBOJJWPKBN-KHPPLWFESA-N 321.401 4.715 30 20 DJED CC(C)c1cnc(N=C(O)c2coc(C3CCCC3)n2)s1 328816734 PUUODIYJEFAPJI-UHFFFAOYSA-N 305.403 4.548 30 20 DJED CC(C)CC[C@@H](NC(=O)CCCC#N)c1ccc(Cl)cc1 360046096 FSBGOPKSYBSDQG-MRXNPFEDSA-N 306.837 4.627 30 20 DJED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1nc2ccccc2o1 374555163 ZNFNKKULSLTWNV-KRWDZBQOSA-N 324.424 4.650 30 20 DJED CC(C)[C@H](NCC1(CC#N)CC1)c1cccc(C(F)(F)F)c1 430733227 DWOMORSSIDAJQG-HNNXBMFYSA-N 310.363 4.686 30 20 DJED C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1CCCCC#N 441062612 NJGNDMZFKWTUGV-AVRDEDQJSA-N 318.464 4.759 30 20 DJED CC(C)[C@@H]1N(C(=O)C[C@@H](CC#N)c2ccccc2)CC12CCCC2 457146704 PKBFRZPKAZIYLR-QUCCMNQESA-N 324.468 4.501 30 20 DJED C[C@H](Cc1ccc(Cl)cc1Cl)N[C@@H]1CCC[C@@H](C#N)C1 463288132 LTQGTXQRZBULSQ-LALPHHSUSA-N 311.256 4.596 30 20 DJED C=C(C)[C@@H](NC(=O)[C@@H](C)c1ccsc1)c1ccc(F)c(F)c1 475668006 IHVUTXYNPMQMQK-MEDUHNTESA-N 321.392 4.563 30 20 DJED C=CCN(Cc1ccccc1)Cc1nc(-c2ccccc2)oc1C 502322810 AGNUEDICVWTDCM-UHFFFAOYSA-N 318.420 4.838 30 20 DJED C=CCN(CC=C)C(=O)[C@H](C)S[C@@H](CC)c1ccc(F)cc1 523389411 RQBHDZPRKKKXOL-YOEHRIQHSA-N 321.461 4.599 30 20 DJED N#Cc1ccc(CN[C@H](c2ccccc2)C2CCCC2)c(F)c1 533449319 AHGNNJIHUHFEHK-HXUWFJFHSA-N 308.400 4.718 30 20 DJED N#Cc1ccc(NC(=O)c2cccc(C3CCC3)c2)c(Cl)c1 544926606 HFCGVOVKUVFSAQ-UHFFFAOYSA-N 310.784 4.731 30 20 DJED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(Cl)cc1 561139929 HUSWCEHDHFUWDO-DJJJIMSYSA-N 310.828 4.940 30 20 DJED CC[C@H](Nc1cnn(CC(C)C)c1C1CC1)c1ccc(C#N)cc1 562106122 AKAYROPRBRQVOS-SFHVURJKSA-N 322.456 4.851 30 20 DJED C=CCC(C)(C)CN[C@H](C)CC(=O)Nc1ccccc1C(C)C 572105346 QLMMEGGREPEOFK-MRXNPFEDSA-N 316.489 4.719 30 20 DJED N#CCC[C@H](N[C@H]1CCc2c(F)cc(F)cc21)c1ccccc1 611336997 BRBCQNHANNLMQN-OALUTQOASA-N 312.363 4.587 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2CCC[C@H]2c2cccs2)n1 613411306 NIJCEQSZSDBGFI-AWEZNQCLSA-N 311.454 4.654 30 20 DJED CCCOc1ccc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1 618806186 PXTNRWDWBNTNNF-BTYIYWSLSA-N 320.436 4.685 30 20 DJED C=C(C)[C@H](NC(=O)c1cc(C)sc1C)c1ccc(F)c(F)c1 681245017 JWVDULSNLCGEFX-INIZCTEOSA-N 321.392 4.690 30 20 DJED C=CCC[C@H](C(=O)Nc1cc(O)c(C)cc1C)c1ccccc1 681746274 NYGSOJPXTJOEDK-KRWDZBQOSA-N 309.409 4.698 30 20 DJED N#Cc1cccc(C(=O)/C=C/c2nc(-c3ccccc3)cs2)c1 726875164 OWXKHRUIJJFXGQ-MDZDMXLPSA-N 316.385 4.578 30 20 DJED CCCCNN=C(C)c1sc(-c2ccc(C)cc2)nc1C 727650944 CFTMLZMCQAIXTC-UHFFFAOYSA-N 301.459 4.541 30 20 DJED CC(=NNc1cccc(Br)c1)c1sccc1C 733744916 WKUCWKSWFZPKFI-UHFFFAOYSA-N 309.232 4.655 30 20 DJED CCCCCCC[C@@H](C)CNC(=O)N[C@@H](C)c1c(C)noc1C 733803145 HPFTWQYXPNZPBV-KGLIPLIRSA-N 323.481 4.648 30 20 DJED CCCCCCCC(=O)N1CCC(c2ccccc2F)CC1 736040451 SDPWGFZCRGKKAX-UHFFFAOYSA-N 305.437 4.892 30 20 DJED Cc1cccc(/C=C\C(=O)c2c(Cl)nc3sccn23)c1C 741845454 WRXZUHUWBXSCOR-SREVYHEPSA-N 316.813 4.562 30 20 DJED COc1ccc(C(=O)/C=C/c2ccc(C#N)s2)c2ccccc12 748998650 NLPWDOWFVXRBQF-CSKARUKUSA-N 319.385 4.678 30 20 DJED CCCCCCCNc1ccc(CCC(=O)N2CCCC2)cc1 749265653 IKTPRXIOIKIVJW-UHFFFAOYSA-N 316.489 4.624 30 20 DJED Cc1ccc(C(=O)/C=C/C=C\c2ccccc2[N+](=O)[O-])cc1C 750896121 NLQRXTJLWTWROM-KHPAHMTISA-N 307.349 4.664 30 20 DJED C[C@@H](NCc1cccc(C#N)c1F)c1csc2ccccc12 754734696 HYQBQXONLPRDEW-GFCCVEGCSA-N 310.397 4.763 30 20 DJED O=C1/C(=C/c2cccc(O)c2)Cc2cc(Cl)cc(Cl)c21 764431321 DMTSDHZLWHXQKW-NYYWCZLTSA-N 305.160 4.521 30 20 DJED C=CC[C@@H](N[C@H](C)c1ccc(OC(C)C)cc1)c1ccncc1 766022886 YMDYJBIOCXTCJL-OXQOHEQNSA-N 310.441 4.837 30 20 DJED CCSc1ccc(CC(=O)OCCCCC(C)(C)C#N)cc1 768793592 OYYWNPGSDCAATE-UHFFFAOYSA-N 319.470 4.604 30 20 DJED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC[C@@H](C)C3)n2)cc1 776517674 RMGQOWPBZZHMQP-FVQBIDKESA-N 324.449 4.731 30 20 DJED O=C(/C=C\c1nccn1-c1ccccc1)c1cc2ccccc2o1 790209535 SCTNRWOMWPVTAY-KHPPLWFESA-N 314.344 4.515 30 20 DJED CC[C@@H](C#N)Oc1cccc(CN[C@H](CC)c2cccc(C)c2)c1 796816044 IOFPCMWADXXUNG-PZJWPPBQSA-N 322.452 4.917 30 20 DJED C#CCC1(C(=O)N[C@H](C)c2ccc(SC)cc2)CCCCC1 798733050 GXEXDWIEIKLEQD-OAHLLOKOSA-N 315.482 4.560 30 20 DJED CCc1cccc(C)c1NN=Cc1c(C(C)C)nn(C)c1Cl 799493047 WFMIQZYSIPAJDN-UHFFFAOYSA-N 318.852 4.514 30 20 DJED Cc1cccc(C)c1[C@@H]1CCCN1c1nc(Cl)c(C#N)s1 853758480 NKMWABGQSJMIPP-LBPRGKRZSA-N 317.845 4.627 30 20 DJED Cc1occc1-c1nnc(SCCCCC2(C#N)CCC2)o1 901392389 OXNQESXNVMYXMZ-UHFFFAOYSA-N 317.414 4.594 30 20 DJED CCCCCOc1ccc(C(=O)/C=C\c2c(C)noc2C)cc1 916127687 FIWZZAWRNDUFNQ-QXMHVHEDSA-N 313.397 4.757 30 20 DJED C[C@@H](/N=C/c1c(O)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 917557124 YLONENUACHQIHQ-HMHKGCENSA-N 320.348 4.634 30 20 DJED C[C@H](NN=Cc1ccc(-c2ccccc2F)o1)c1ccccc1 920382338 GDDZVXJOXHMMAG-AWEZNQCLSA-N 308.356 4.770 30 20 DJED Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C#N)cc2Cl)cc1C 1127111267 VKHRUNXRZOHVGV-JKSUJKDBSA-N 324.811 4.571 30 20 DJED Cc1cc(C)c(C(=O)CSc2cccc(F)c2C#N)c(C)c1 1307351560 UZBFUPHSXCFOOY-UHFFFAOYSA-N 313.397 4.598 30 20 DJED C[C@H](Cc1ccc(C(F)(F)F)cc1)Nc1cc(F)cc(C#N)c1 1308903825 ZXWIRKKFJMVDBU-LLVKDONJSA-N 322.305 4.759 30 20 DJED C=CC[C@H](C(=O)NCc1cccc(C(F)F)c1)c1ccccc1 1321581374 UZSSZXNJNWVZJO-KRWDZBQOSA-N 315.363 4.600 30 20 DJED CC(C)[C@@H](Nc1ccc(OCC#N)cc1)c1ccc(F)cc1F 1352072145 MJFABVGGLKIPBS-GOSISDBHSA-N 316.351 4.676 30 20 DJED N#Cc1ccccc1Sc1ccc(NC(=O)c2ccoc2)cc1 1436257001 YEPJOUIIGWARQG-UHFFFAOYSA-N 320.373 4.555 30 20 DJED C[C@@H](CC(=O)N(c1cccc(C#N)c1)C1CCC1)CC(C)(C)C 1528692729 HOCWBVAYIYMEBM-HNNXBMFYSA-N 312.457 4.906 30 20 DJED CC[C@H](C(=O)N(c1ccccc1C#N)C1CCC1)c1ccccc1 1532033018 GLBXXZGJBYDFIJ-IBGZPJMESA-N 318.420 4.638 30 20 DJED C[C@@H](Nc1cccc(C#N)n1)c1ccc(-c2ccc(F)cc2)cc1 1559143284 RJFKLGOLNBRMDJ-CQSZACIVSA-N 317.367 4.932 30 20 DJED Cc1c(C#N)cccc1NCc1cnc(-c2ccccc2F)s1 1560490131 LTCOWRPJLYWULN-UHFFFAOYSA-N 323.396 4.741 30 20 DJED CC(C)(C)C1CCC(CN(CCC#N)Cc2ccco2)CC1 1641934890 RWALWXGIENXLNJ-UHFFFAOYSA-N 302.462 4.848 30 20 DJED C[C@@H](Nc1ccc(Cl)c(C#N)n1)c1cc(Cl)ccc1F 1642537797 DIFNHIFNFLKBLR-MRVPVSSYSA-N 310.159 4.572 30 20 DJED C[C@H](CC#N)N(C)Cc1cccc(Oc2ccc(Cl)cc2)c1 1644935376 VGEINOYAKQHKBN-CQSZACIVSA-N 314.816 4.866 30 20 DJED N#Cc1nc(N2CCC[C@@H]2CC2CCCCC2)sc1Cl 1650697609 VGDSENYDBNFXTF-GFCCVEGCSA-N 309.866 4.607 30 20 DJED CCOc1ccc(C#N)cc1NCc1cc2ccccc2s1 1651183800 HMNDAXABQFCODZ-UHFFFAOYSA-N 308.406 4.784 30 20 DJED Cc1ccc(C#N)c(Nc2ccc3nc(C(C)(C)C)sc3c2)n1 1651580797 RRMNQBSYNFKKSL-UHFFFAOYSA-N 322.437 4.913 30 20 DJED CC[C@H](NCc1cccc(C#N)c1F)C(C)(C)c1ccccc1 1653032134 UOLGVCZQLHHXEH-SFHVURJKSA-N 310.416 4.543 30 20 DJED Cc1c(C#N)c(SC[C@@H]2CCCC[C@H]2C)nc2c1CCC2 1656127660 PVPZMHNPZXLVBT-OCCSQVGLSA-N 300.471 4.669 30 20 DJED C[C@@H](CCC#N)CN1CCC[C@H]1c1ccccc1Br 1659112676 VPTUJPVJSBNSJD-BBRMVZONSA-N 321.262 4.526 30 20 DJED C=C(Cl)CNC(=O)Nc1ccccc1-c1ccc(C)s1 1672374190 NPRIKPWQYOFDML-UHFFFAOYSA-N 306.818 4.598 30 20 DJED CCCCCC1=C(C)CCC1=NNc1ccccc1C(=O)O 1776029984 YWWULBLRXUWFNH-UHFFFAOYSA-N 300.402 4.843 30 20 DJED CCCC(=NNc1ccc(Cl)c(C(=O)O)c1)[C@H]1CC1(C)C 1776034207 SJKPQPVBLJKVBV-GFCCVEGCSA-N 308.809 4.652 30 20 DJED N#Cc1ccc(NCc2cccc(Br)c2)cc1Cl 37389982 AUCUXKAITYVBLE-UHFFFAOYSA-N 321.605 4.586 30 20 DJED CC(C)(C)[C@H](NCc1ccc(C#N)s1)c1ccc(F)cc1 135688181 HXSDPONSVAGUHX-MRXNPFEDSA-N 302.418 4.636 30 20 DJED CCc1cccc(C)c1NC(=O)N[C@@H](CCC#N)c1ccccc1 159616898 MUYNIMIKOBWAQX-SFHVURJKSA-N 321.424 4.724 30 20 DJED C[C@H]1CCC[C@@H](Nc2ccc(C#N)c(Br)c2)CC1 235641659 MKCWPJJYKDWTGN-WCQYABFASA-N 307.235 4.701 30 20 DJED CC[C@H](C)[C@H](C)C(=O)Nc1ccccc1S[C@H](C)CC#N 248579037 PSHOQEQLADRQOY-MJBXVCDLSA-N 304.459 4.702 30 20 DJED CC[C@H]1CC[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 432701439 ZOJRAFKUMDIUIG-KOMQPUFPSA-N 313.445 4.578 30 20 DJED CC(C)(C)c1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)cc1 439657587 DZOKDDXQCQPYLN-IBGZPJMESA-N 320.436 4.759 30 20 DJED N#C[C@H]1CC[C@H](Nc2ccccc2COCc2ccccc2)C1 442867385 OHDOPZHYKBPJCB-HKUYNNGSSA-N 306.409 4.508 30 20 DJED CCSc1ccccc1[C@@H](C)NCCc1cccc(C#N)c1 467431859 FVSCEGWGOMNOAL-OAHLLOKOSA-N 310.466 4.564 30 20 DJED C=CCCCCNC(=O)N1CCC[C@H]1c1cccc(Cl)c1 472836458 PDCGWLLRUCGLAC-INIZCTEOSA-N 306.837 4.543 30 20 DJED C=CCCC1(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 474190138 PMDMJFODYWGUNM-LBPRGKRZSA-N 311.347 4.629 30 20 DJED C=CC[C@@H](C(=O)N(C)CC1(c2ccccc2)CC1)c1ccccc1 474201919 ZHNDOBNDYXOZFX-HXUWFJFHSA-N 319.448 4.537 30 20 DJED Cc1ccc(Cl)c(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1 476339151 XFNKGYGHQLYHPP-UHFFFAOYSA-N 312.800 4.702 30 20 DJED C=C(CNC(=O)Nc1cc(SC)ccc1C)c1ccccc1 480650675 HUNKPQDVCJLPRB-UHFFFAOYSA-N 312.438 4.552 30 20 DJED C=CCCC[C@H](C)NC(=O)Nc1cnn(CCCC)c1C(C)C 485171920 RAWZASBIHZEIQI-HNNXBMFYSA-N 320.481 4.673 30 20 DJED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)Nc1ccc(CC#N)cc1 486054397 QCNDUILKAAZSOK-NVXWUHKLSA-N 318.420 4.681 30 20 DJED CC[C@](C)(C#N)C(=O)N[C@H](C)c1ccccc1Oc1ccccc1 509209640 HZYDLWZLMUEEJS-FOIQADDNSA-N 322.408 4.596 30 20 DJED N#Cc1c(NC(=O)c2ccsc2)sc2c1CCCCCC2 511062792 LEMVFISOTMSHAN-UHFFFAOYSA-N 316.451 4.593 30 20 DJED N#Cc1ccccc1CSCc1ccc(Br)s1 521484644 QBZNZOGOQBAFSS-UHFFFAOYSA-N 324.268 4.816 30 20 DJED C=CCSc1ccccc1C(=O)Nc1cccc2c1ccn2C 547944485 PCSNJOWVCOMYGY-UHFFFAOYSA-N 322.433 4.709 30 20 DJED CCOc1ccc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cc1 557518173 VIEVFRJGXFLGAB-VFNWGFHPSA-N 320.436 4.685 30 20 DJED CC[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cc(F)ccc1F 560267343 YAGWXZOFRCIZKR-GOSISDBHSA-N 312.363 4.566 30 20 DJED C[C@H](SCCC(C)(C)C#N)c1nc(-c2cccs2)no1 564090435 NGWUWQLSOJJDRJ-JTQLQIEISA-N 307.444 4.532 30 20 DJED Cc1cc(C#N)ccc1Oc1ncnc2sc3ccccc3c12 568714811 YJENTTDULVIRRD-UHFFFAOYSA-N 317.373 4.817 30 20 DJED N#Cc1ccc2c(c1)[C@H](NCc1ccc(C3CCC3)cc1)CC2 580680564 KJIFJNZMRLANIT-OAQYLSRUSA-N 302.421 4.603 30 20 DJED C=C(C)COc1cccc(NC(=O)N2CCC[C@@H]2CC(C)C)c1 589739922 BURPTSVKJJZIPF-QGZVFWFLSA-N 316.445 4.684 30 20 DJED C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1cc2ccccc2o1 594925295 VSQJEKMSBMYRFL-HNNXBMFYSA-N 316.404 4.839 30 20 DJED COc1ccc(CNc2ccc(Cl)cc2SC)cc1C#N 600856636 BQESQUZLXJYOII-UHFFFAOYSA-N 318.829 4.554 30 20 DJED Cc1ccc(C)c([C@H](C)N(C)C(=O)Nc2ccc(CC#N)cc2)c1 604499866 SJGGMFBXCWIFJT-INIZCTEOSA-N 321.424 4.594 30 20 DJED CC(C)(C)c1ccc([C@H](C#N)NC(=O)CC2=CCCCC2)cc1 609415059 GACCLKKDCTYBRG-SFHVURJKSA-N 310.441 4.555 30 20 DJED C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)c1ccncc1 611727886 ZBSJJEOHLAXYOT-JTQLQIEISA-N 308.328 4.825 30 20 DJED Cc1csc(CNc2cccc(C#Cc3cccs3)c2)n1 674864240 CAXLKEGPNSBFSE-UHFFFAOYSA-N 310.447 4.525 30 20 DJED COc1ccc2oc(C(C)=NOCc3ccccc3)c(C)c2c1 729142953 GWMMUIBOIQRUOZ-UHFFFAOYSA-N 309.365 4.691 30 20 DJED CCCC[C@H]1CCCC1=NNc1ccc(Br)nc1 732712147 RLXQSTCDUADKRW-NSHDSACASA-N 310.239 4.602 30 20 DJED C#Cc1cccc(N(C(=O)C[C@H](C)c2cccc(F)c2)C(C)C)c1 734770701 AACUTQYASJJVRS-INIZCTEOSA-N 323.411 4.742 30 20 DJED Cc1ccccc1[C@@H](C)CC(=O)O[C@H](C)c1cccc(C#N)c1 734967320 ZSEXFMMOEFACSM-JKSUJKDBSA-N 307.393 4.665 30 20 DJED CC(C)(C)c1ccc(C(=O)/C=C\c2cnc3ccccn23)cc1 740764173 NDWIMNZVDSKWJH-QXMHVHEDSA-N 304.393 4.528 30 20 DJED CCOc1cc(C#N)cc(Cl)c1OC(=O)/C=C(/C)C(C)(C)C 744357109 GYRCDUFZISHYFS-XFFZJAGNSA-N 321.804 4.508 30 20 DJED CC(C)n1cc(C(=O)/C=C\c2c(Cl)cccc2Cl)cn1 746687323 XFYOCQGDOKKCTR-SREVYHEPSA-N 309.196 4.667 30 20 DJED COc1ccc(C)cc1C(=O)/C=C\c1cccc(OC(F)F)c1 747063128 BKWQCUJVLUHSMD-FPLPWBNLSA-N 318.319 4.501 30 20 DJED N#C[C@H](C(=O)[C@@H]1CC12CCCC2)c1nc(-c2ccccc2)cs1 747480771 VNPNZZKPVSWQIJ-CABCVRRESA-N 322.433 4.567 30 20 DJED CC(C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)=C1CCCC1 753607474 HEZOSUXYPRHJMB-CQSZACIVSA-N 323.223 4.565 30 20 DJED FC(F)(F)c1ccccc1ON=C[C@@H]1CCOc2ccccc21 754710922 ZIZYWSBYORKQTQ-LBPRGKRZSA-N 321.298 4.636 30 20 DJED CCc1ccc2c(CSc3cccc(C#N)c3)cc(=O)oc2c1 759049821 SGKUDXJEOUNLSR-UHFFFAOYSA-N 321.401 4.519 30 20 DJED CCC(=NNc1nccnc1C(C)C)c1cccc(Cl)c1F 773092133 ZBHLLYCWBRDRIL-UHFFFAOYSA-N 320.799 4.619 30 20 DJED Clc1ccc([C@H]2CCCC2=NNc2cccnn2)cc1Cl 776186908 YHUASSMDMXPZCW-LLVKDONJSA-N 321.211 4.519 30 20 DJED C#CC[C@H](NCc1ccc(Oc2ccccc2)o1)c1ccccc1 779982527 ZVRMJPJFUIFICC-FQEVSTJZSA-N 317.388 4.926 30 20 DJED C[C@@H](C#N)Oc1ccccc1N[C@H](C)c1cc2ccccc2o1 780746398 ZQKYIONLNYMOQZ-UONOGXRCSA-N 306.365 4.897 30 20 DJED C[C@@H](C#N)Oc1ccccc1N[C@@H](C)C1CCC(F)(F)CC1 788980906 PDSAYDUQYZJSOP-STQMWFEESA-N 308.372 4.603 30 20 DJED COc1cc(C)c(C(=O)/C=C/c2ccsc2Cl)cc1OC 790219383 KRJSTWLBRNCTEF-SNAWJCMRSA-N 322.813 4.623 30 20 DJED CC(C)(C)OCc1ccc(Nc2nc(Cl)c(C#N)s2)cc1 804538025 DZIPWMATDQFHCX-UHFFFAOYSA-N 321.833 4.727 30 20 DJED O=C(/C=C/c1ccccc1C1CC1)c1cc([N+](=O)[O-])ccc1F 814191401 POXSXDBULNVIIY-JXMROGBWSA-N 311.312 4.507 30 20 DJED CSCc1cnc(/C=C2\C(=O)c3ccccc3C2(C)C)s1 834417030 BDWJTAIVUZCRHJ-RIYZIHGNSA-N 315.463 4.564 30 20 DJED C#Cc1cccc(NC(=S)N(C)C[C@H](C)C2CCCCC2)c1 863234098 QRCCAXAJGFIEBT-HNNXBMFYSA-N 314.498 4.513 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1ccccc1COC(C)(C)C 932543265 VTZJYCPDJPREOH-INIZCTEOSA-N 316.445 4.574 30 20 DJED CCCCN(CCc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 1167472762 CPUOFTJTESZJAO-SFHVURJKSA-N 306.453 4.964 30 20 DJED CC(C)(C)Oc1ccc(CCNc2cccc(F)c2C#N)cc1 1185876035 ZYORNELIGMBPKU-UHFFFAOYSA-N 312.388 4.529 30 20 DJED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(Cl)cc1 1191156991 POINFRWRPDBDCL-OALUTQOASA-N 310.828 4.612 30 20 DJED CCN(Cc1sc2c(Cl)cccc2c1C)C[C@H](C)C#N 1204824895 BEAHFYLEJQNFSW-LLVKDONJSA-N 306.862 4.845 30 20 DJED Cc1cc(C#N)cc(NC(=O)N2CCCC[C@H]2c2ccccc2)c1 1206305274 ARHPYLJJLFFZCA-IBGZPJMESA-N 319.408 4.626 30 20 DJED C[C@H](N[C@H](C)c1ccc(Cl)c(F)c1)c1ccc(C#N)c(F)c1 1254215738 LEBFAIJQKXRFRI-WDEREUQCSA-N 320.770 4.902 30 20 DJED CCc1cccc(NC(=O)c2sc3ccc(C#N)cc3c2C)c1 1264304717 QVGGNIJFUYIOEI-UHFFFAOYSA-N 320.417 4.896 30 20 DJED C[C@H](c1ccccc1)N(C(=O)c1csc(C#N)c1)C1CCCC1 1325896380 PANUJCNTUWXKJD-CQSZACIVSA-N 324.449 4.766 30 20 DJED C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C1CCC1 1435999342 XTSQXPOCBPTYCB-CQSZACIVSA-N 320.392 4.725 30 20 DJED Cc1cccc(CC[C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c1 1462359482 WNXDNNYFYFVWGV-VGSWGCGISA-N 318.464 4.855 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C/C=C\c1ccc(F)cc1F 1462366151 WLPGVFSRQCXUMZ-ZBKLQPJUSA-N 312.363 4.543 30 20 DJED CCC(CC)CN(CCC#N)c1nc2cccc(C)c2s1 1472749276 UGNYKNDHAZOIDZ-UHFFFAOYSA-N 301.459 4.761 30 20 DJED Cc1ccccc1C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 1473366275 QVUIABQLDCOPRF-KRWDZBQOSA-N 304.437 4.807 30 20 DJED COc1cc(CN[C@@H](CCC(C)C)C(C)(C)C)ccc1C#N 1474006456 VEGLZYICPISFGL-SFHVURJKSA-N 302.462 4.507 30 20 DJED C[C@H](OC(=O)[C@H]1CCC[C@@H]1c1ccccc1)c1cccc(C#N)c1 1518199337 QMWFVTJRMHCJKY-BEVDRBHNSA-N 319.404 4.746 30 20 DJED CCCC[C@@H](C)N(CCCC)C(=O)c1ccc(C#N)cc1F 1523005129 CUZWYQOWNWTEBJ-CQSZACIVSA-N 304.409 4.518 30 20 DJED CCCc1ccc(-c2ccc(NC(=O)[C@@H](C#N)CC)cc2)cc1 1544328862 KEJRMIGDGNAROW-MRXNPFEDSA-N 306.409 4.794 30 20 DJED CC(C)(C)[C@@H](NCCc1ccc(C#N)cc1)c1ccc(F)cc1 1559604796 QMUCXMKNQHHYJK-IBGZPJMESA-N 310.416 4.617 30 20 DJED Cc1ccc(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)c(C)c1 1587907894 MSMVYRLRMPVYEE-UHFFFAOYSA-N 322.408 4.605 30 20 DJED Cc1nc(C#N)cc(N[C@H](c2ccc(C(C)C)cc2)C(C)C)n1 1611741764 DAUVEUMATCUMOZ-IBGZPJMESA-N 308.429 4.589 30 20 DJED C[C@@H]1CC[C@H](Nc2c(C#N)cnc3c(Cl)cccc23)[C@H](C)C1 1611987955 ZTESGHIHXQBUGK-HSMVNMDESA-N 313.832 4.996 30 20 DJED N#Cc1c(CSc2ccc3c(c2)CCCC3)cn2ccccc12 1641214506 FKLOCIGAQDIYFP-UHFFFAOYSA-N 318.445 4.982 30 20 DJED CC[C@@H]1CN([C@@H](C#N)c2ccccc2)CC[C@@H]1c1ccccc1 1641976931 KYDVNKOCMFRQOA-QMMLZNLJSA-N 304.437 4.767 30 20 DJED N#Cc1cc(Cl)ccc1CSCc1c(F)cccc1F 1643975633 ZHKOWAGUBASFRC-UHFFFAOYSA-N 309.768 4.923 30 20 DJED C[C@H](NCc1ccc2ccc(Cl)cc2n1)c1cccc(C#N)c1 1644466633 ZSUFAZJTWRYDGQ-ZDUSSCGKSA-N 321.811 4.611 30 20 DJED C[C@H]1C[C@H](c2ccc(F)cc2)CN1CCC1(C#N)CCCCC1 1644646278 SPAWQUSLBFHBKM-WMZOPIPTSA-N 314.448 4.868 30 20 DJED Cc1cccc(CCCN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 1652554844 LOEZKDPWBAXVIE-VXKWHMMOSA-N 318.464 4.699 30 20 DJED COc1cc(C#N)ccc1CN1c2ccccc2CC[C@H]1C(C)C 1653173275 DHCHVAWVVPUWNI-IBGZPJMESA-N 320.436 4.544 30 20 DJED CC[C@@H](C)N(CCc1ccccc1F)Cc1ccc(C#N)cc1C 1653245193 PWCSIFIBNKQXQZ-QGZVFWFLSA-N 324.443 4.849 30 20 DJED C[C@@H](Nc1nc(C#N)c(Cl)s1)c1c(F)cccc1Cl 1655224118 OOIPCWICCYHHIO-ZCFIWIBFSA-N 316.188 4.634 30 20 DJED C=C(Cl)Cn1c([C@@H](C)CC)nnc1N(C)c1ccc(C)cc1 1749249608 LGDRGYOHRKXGDN-ZDUSSCGKSA-N 318.852 4.620 30 20 DJED Cc1ccc(C(=O)/C=C\c2cccc(C(=O)O)c2Cl)c(C)c1 1776133142 OLEVJEIDXQAJHT-CLFYSBASSA-N 314.768 4.551 30 20 DJED CC(C)Cc1ccc(/C=C/C(=O)c2csc(C(=O)O)c2)cc1 1776340476 VNMYJODDSIEFFQ-BQYQJAHWSA-N 314.406 4.541 30 20 DJED CC(C)[C@@H](NC[C@@H](C#N)CCC#N)c1ccc(C(C)(C)C)cc1 23677580 BIMXBEZAXPSMAH-VQIMIIECSA-N 311.473 4.714 30 20 DJED O=C(/C=C\c1cccc(Br)c1)c1ccc(F)c(F)c1 33504860 JZJGFZXNAXZIPP-DAXSKMNVSA-N 323.136 4.623 30 20 DJED CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(F)F 57435450 MXOZIKIHJZKZKU-CSKARUKUSA-N 318.319 4.583 30 20 DJED CC1(C)Cc2cc(CN[C@H](CCC#N)c3ccccc3)ccc2O1 130418549 HEDCTCDGSVFKCK-LJQANCHMSA-N 320.436 4.535 30 20 DJED C[C@@H](N[C@H]1CCSc2c(F)cccc21)c1ccc(C#N)cc1 192988854 LVLBGLZCYIDHEX-PXAZEXFGSA-N 312.413 4.585 30 20 DJED CCN(CC)Cc1cccc(N[C@H](C)c2cccc(C#N)c2)c1 193008076 BLOSWPKYFWUQSW-MRXNPFEDSA-N 307.441 4.573 30 20 DJED CCOc1cc(/C=C\C(=O)c2oc3ccccc3c2C)ccc1O 205512203 NTUKHLPIXMGYNU-LUAWRHEFSA-N 322.360 4.742 30 20 DJED COc1ccc(C#N)cc1CSCc1ccccc1Cl 234854732 XSALQPGBHHWLKY-UHFFFAOYSA-N 303.814 4.654 30 20 DJED C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc2c(c1)COC2 272030256 RSWPLWQGPFZHPF-OAHLLOKOSA-N 322.408 4.572 30 20 DJED C[C@H](SCCCC1(C#N)CCOCC1)c1cccc(F)c1 281847112 LYDGFRKMAUMRDZ-AWEZNQCLSA-N 307.434 4.720 30 20 DJED C=CCN(CCC#N)C(=O)Nc1ccc(SC(C)(C)C)cc1 292812995 CLKXBGRBRUMRLA-UHFFFAOYSA-N 317.458 4.511 30 20 DJED CCN(CCSc1ccccc1)[C@H](C)c1ccc(C#N)cc1 303538389 JAQBWQQNPGRKJV-MRXNPFEDSA-N 310.466 4.733 30 20 DJED CC(C)Oc1ccccc1[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 320015063 FJZGSMLFBYUAIU-JKSUJKDBSA-N 308.425 4.757 30 20 DJED CC(C)(C)[C@@H]1N=C(O)CC[C@H]1/N=C(/O)[C@H]1CCCCC1(C)C 329266584 HLVNAHVHFONPPY-UMVBOHGHSA-N 308.466 4.693 30 20 DJED Cc1cccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1F 410922543 ACZRPNIDAMCEIM-UHFFFAOYSA-N 316.401 4.617 30 20 DJED C=CCCCCCN(C)C(=O)N[C@@H](CC(F)F)c1ccccc1 422252412 BJKHXELKPKXWAC-INIZCTEOSA-N 324.415 4.771 30 20 DJED CN(CC(C)(C)C#N)c1cc(C(F)F)nc2ccc(Cl)cc12 432152634 AKAZNYRTKGCTTI-UHFFFAOYSA-N 323.774 4.812 30 20 DJED C=CC[C@H](CC)N[C@@H](C)c1csc(-c2ccccc2F)n1 462805809 IOKWCFSFBSZGLC-STQMWFEESA-N 304.434 4.955 30 20 DJED N#Cc1ccc(N2CCC[C@H]2c2ccsc2)c(C(F)(F)F)c1 463443097 WPJASXQGDJGVGI-AWEZNQCLSA-N 322.355 4.980 30 20 DJED N#Cc1ccc(CCC(=O)NC2CCC3(CCCCC3)CC2)cc1 469964985 VMBQFZGILCMQKL-UHFFFAOYSA-N 324.468 4.500 30 20 DJED CCC[C@H](CC)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483703194 WPPLIGOCBCJLGF-KRWDZBQOSA-N 322.408 4.659 30 20 DJED CCCCN(C(=O)c1ccc(C#N)s1)[C@@H](C)c1ccccc1 486865428 GTFFYFYOZPRWPX-AWEZNQCLSA-N 312.438 4.623 30 20 DJED C=C[C@H](CC(=O)N1CC[C@@H](c2ccccc2C)C1)c1ccccc1 534694006 APERCNKHRVFMOH-UYAOXDASSA-N 319.448 4.671 30 20 DJED C[C@@H](NCCCSc1ccccc1)c1ccc(C#N)c(F)c1 540708164 MUTMAKBGCFFFPW-CQSZACIVSA-N 314.429 4.530 30 20 DJED C[C@@H](CCC(C)(C)C)C(=O)Nc1cc(C#N)ccc1OC(F)F 543466091 YFCWJOCAWQIUDT-NSHDSACASA-N 324.371 4.561 30 20 DJED C=C(C)COc1cccc(NCc2ncc(CSC)s2)c1 549780915 XYWUXPNVGMPTSL-UHFFFAOYSA-N 320.483 4.573 30 20 DJED N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCc3sc(Cl)cc31)CC2 564428282 REXUZDGQSAUVIC-LSDHHAIUSA-N 314.841 4.538 30 20 DJED C=CCN(Cc1c(Cl)cccc1C(=O)O)CC1CCCCC1 568061573 KORUEWVRGVXXPX-UHFFFAOYSA-N 321.848 4.607 30 20 DJED Cc1cc(Oc2ccccc2)ccc1NC(=O)NCCCCC#N 609452160 VSXCZROXRHWKIU-UHFFFAOYSA-N 323.396 4.603 30 20 DJED C[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 610216153 QAAZOUZLHNKSNN-WWMYMODYSA-N 304.437 4.745 30 20 DJED C[C@H](NCc1ccc(Cl)c2cccnc12)c1cccc(C#N)c1 611387607 QJVASWONYBEUNQ-ZDUSSCGKSA-N 321.811 4.611 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CSCc2ccccc21 611392022 FBMHAGNMWLJPBN-WOJBJXKFSA-N 320.461 4.513 30 20 DJED CC(C)(C)c1cccc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)c1 654999376 DMAUJKFGGVQXEP-HNNXBMFYSA-N 324.449 4.808 30 20 DJED CC(=NNc1c(F)cccc1F)c1sc(C(C)(C)C)nc1C 735615073 LAFXLYSRESOWRF-UHFFFAOYSA-N 323.412 4.863 30 20 DJED Cc1cc(C)cc(/C=C/C(=O)c2c(Cl)nc3ccccn23)c1 737451387 YYGCXCBQFVXHKB-VOTSOKGWSA-N 310.784 4.501 30 20 DJED Cc1ccc(-c2ncc(/C=C3/Oc4ccccc4C3=O)s2)cc1 742436780 NRBBYARRISXWCD-LICLKQGHSA-N 319.385 4.735 30 20 DJED CCCOc1cccc(/C=C2\CCc3cc(C#N)ccc3C2=O)c1 742437881 SBELZASFXDMEHW-WOJGMQOQSA-N 317.388 4.560 30 20 DJED CCCCCCCCC(=O)N1C[C@H](C)OC[C@@H]1c1ccccc1 742972213 UREHUFRJGYDORZ-PKOBYXMFSA-N 317.473 4.726 30 20 DJED CC(=NOCc1ccccc1)[C@H](C)c1nc2ccccc2s1 748780748 NEHGTUTZYBEDKW-ZDUSSCGKSA-N 310.422 4.993 30 20 DJED O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])CCCc2ccccc21 750900943 RXURITAMTLKOTG-MKILNOHCSA-N 319.360 4.754 30 20 DJED CCC(CC)(CC)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 761167753 SJBRCRGFPORGEI-GFCCVEGCSA-N 318.417 4.828 30 20 DJED CCC[C@H](C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)C(C)C 764637137 AUQGBDVYXJPXOP-QWHCGFSZSA-N 318.417 4.684 30 20 DJED FC(F)(F)CCNN=Cc1c(Cl)ccc(Cl)c1Cl 794544830 FUTWCSHYWJGKDV-UHFFFAOYSA-N 319.541 4.523 30 20 DJED COc1ccc(NN=C(CCC(C)(C)C)c2cscn2)cc1 807978882 GWHRFASNZAMDHU-UHFFFAOYSA-N 317.458 4.794 30 20 DJED CC(=NNc1nccnc1C1CCC1)c1cc(C)c(C)cc1C 807994620 RLHBCKLMFDUGDM-UHFFFAOYSA-N 308.429 4.505 30 20 DJED Cc1cc(-c2ccccc2)ccc1NC(=O)C1(C#N)CC(C)C1 843766341 ZUSOMCLCFAGCRG-UHFFFAOYSA-N 304.393 4.540 30 20 DJED CC(C)(C)c1cnc(/C=C\C(=O)c2ccc(C(F)F)nc2)s1 853009961 TYGJCAXAGKQRAI-SREVYHEPSA-N 322.380 4.669 30 20 DJED C=CCn1c(SCSC(C)C)nnc1-c1ccccc1C 863312371 KVGMSMAIKGWCSV-UHFFFAOYSA-N 319.499 4.631 30 20 DJED CC(C)(C)n1cc(C=NN(c2ccccc2)c2ccccc2)cn1 915933980 OIYCQXMISIKFQW-UHFFFAOYSA-N 318.424 4.810 30 20 DJED O=C(/C=C\c1ccc(O)c(Cl)c1)c1cccc(OC(F)F)c1 921261267 KCTJDRCNHAVGFG-XQRVVYSFSA-N 324.710 4.543 30 20 DJED Cc1ccc(C(=O)N[C@H](C)c2cccc3ccccc23)cc1C#N 1124066023 LRQSLYXMWMXVHV-OAHLLOKOSA-N 314.388 4.511 30 20 DJED Cc1cccc(-c2cccc(CNc3snc(C)c3C#N)c2)c1 1185197456 MVLBPGXFWRDLKE-UHFFFAOYSA-N 319.433 4.911 30 20 DJED C=CCN(C(=O)Nc1ccc(C)c(Cl)c1Cl)C(C)C 1319777043 WUAUTTROHHZALS-UHFFFAOYSA-N 301.217 4.730 30 20 DJED CCCC(=Cc1nnc(COc2ccccc2C#N)o1)CCC 1345497206 MPAJGBUCSADNAU-UHFFFAOYSA-N 311.385 4.504 30 20 DJED CC(C)c1ccc([C@H](C)CC(=O)Nc2ccc(F)cc2C#N)cc1 1457400811 NVOSBGNFTLMZHK-CQSZACIVSA-N 324.399 4.953 30 20 DJED CCOc1ccc(C#N)cc1N[C@@H](C)[C@H](C)c1ccc(OC)cc1 1462069672 FWAVBXBOWWMOMO-GJZGRUSLSA-N 324.424 4.570 30 20 DJED CC[C@@H](CN(CC)C(=O)[C@@]1(C#N)CC12CCCC2)c1ccccc1 1523397989 UKZKVGXLFDTDCL-UWJYYQICSA-N 324.468 4.503 30 20 DJED CCC[C@H](CC(C)C)C(=O)N(c1ccccc1C#N)C1CCC1 1528686988 PEFGKHNPNZIJCK-MRXNPFEDSA-N 312.457 4.906 30 20 DJED N#Cc1ccccc1N(C(=O)c1coc2ccccc12)C1CCC1 1586218254 ZCPJEZGURSNJPQ-UHFFFAOYSA-N 316.360 4.504 30 20 DJED Cc1cccc(C(=O)N(c2cccc(C#N)c2)C2CCC2)c1Cl 1587313880 DMIMCWZUJSCGNI-UHFFFAOYSA-N 324.811 4.719 30 20 DJED CC(C)(C)c1cc(NCc2cccc(C#N)c2)nc(C(C)(C)C)n1 1639257564 ZJXMWCXXXOTZHF-UHFFFAOYSA-N 322.456 4.555 30 20 DJED C[C@@H](NCCc1ccc(C#N)cc1)c1cccc2ccccc12 1648560529 RGZDIFZNKFJZCR-MRXNPFEDSA-N 300.405 4.605 30 20 DJED Cc1cc(CN(Cc2ccccc2)CC2CCC2)ccc1C#N 1663967611 ARNLXSDRRNBTOB-UHFFFAOYSA-N 304.437 4.669 30 20 DJED CCCC[C@H](CCC)CNC(=O)N[C@@H](C)c1ccc(C#N)cc1 1667563526 AIBFRGCQRCNQRY-RDJZCZTQSA-N 315.461 4.525 30 20 DJED Cc1c(NN=C[C@H](c2ccccc2)C(C)C)cccc1C(=O)O 1776088141 SJGQFUMSKSZLSW-KRWDZBQOSA-N 310.397 4.531 30 20 DJED Cc1ccc(C)c(C(=O)/C=C/c2ccc(C(=O)O)cc2Cl)c1 1776133490 YDJLZBHIFFOQLO-BQYQJAHWSA-N 314.768 4.551 30 20 DJED CCCCCCC[C@H](CC(=O)O)NC[C@H]1CCC[C@@H](CC)C1 1776783365 VEDLTHGWJQCTKQ-FGTMMUONSA-N 311.510 4.996 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1cscc1Cl 1776784439 MQMLPWLZPTWHRF-CYBMUJFWSA-N 317.882 4.695 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)o1 6216213 HCFAUSOLMLYUKB-VQHVLOKHSA-N 323.304 4.652 30 20 DJED CCCOc1ccc(/C=C\C(=O)c2cccs2)cc1OCC 33409414 HOQHIYUOJRKDKD-CLFYSBASSA-N 316.422 4.832 30 20 DJED CCOc1ccccc1[C@@H](C)N[C@H](CCC#N)c1ccccc1 90664458 JQVQZQXUKYFQKZ-VQIMIIECSA-N 308.425 4.781 30 20 DJED CSc1ccc(C(=O)/C=C/c2ccc(O[C@H](C)C#N)cc2)cc1 103250292 TUVFOGQFJIQBSN-IMBBRHANSA-N 323.417 4.595 30 20 DJED C=C[C@H](CC(=O)N1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 128197876 AYXJKDJNMBBWBX-OXQOHEQNSA-N 323.411 4.849 30 20 DJED C[C@@H](N[C@H](C)c1ncc(-c2ccccc2)o1)c1cccc(C#N)c1 174358784 HOVSHWVAGOWLCY-HUUCEWRRSA-N 317.392 4.625 30 20 DJED CC(C)(C#N)c1ccccc1COc1ccc([C@H]2CCOC2)cc1 190280578 JZNWADPGBSMAIB-KRWDZBQOSA-N 321.420 4.571 30 20 DJED Cc1cccc(C(C)C)c1NC(=O)CSCCC(C)(C)C#N 289320516 BNWREDHPLKLJGP-UHFFFAOYSA-N 318.486 4.730 30 20 DJED C=CCOc1ccc(CNc2cccc(OC)c2)cc1Cl 303646055 SFRBVDNFQMAWBK-UHFFFAOYSA-N 303.789 4.526 30 20 DJED C=CCC[C@H](NCc1ccncc1)c1ccc(C(F)(F)F)cc1 342221139 KNICRZRTNXNXIF-KRWDZBQOSA-N 320.358 4.898 30 20 DJED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(Cl)s2)s1 430631054 SXSNCMQAIQDNAE-QMMMGPOBSA-N 324.858 4.646 30 20 DJED C=CCC[C@@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 435298100 KONDSWAZMBDTPC-LJQANCHMSA-N 304.393 4.605 30 20 DJED Cc1ccccc1NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 438630897 AAEXSAWQAGETJX-UHFFFAOYSA-N 319.286 4.530 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1cc(Cl)c(Cl)cc1F 439956933 NMJWFWTXQVVGCA-QMMMGPOBSA-N 305.180 4.609 30 20 DJED C=CCC1(C(=O)N2CC=C(c3ccc(F)cc3)CC2)CCCC1 449120558 DLDDHJBXOJBSBL-UHFFFAOYSA-N 313.416 4.578 30 20 DJED CCc1ccc(-c2ccc(C(=O)Nc3cccc(C#N)c3)o2)cc1 463240819 AFCXEPPWLQXZEW-UHFFFAOYSA-N 316.360 4.633 30 20 DJED CC(C)(C)n1cc(C#N)cc1NC(=O)c1cccc2ccsc12 464442976 QEXGJGHAPGFOTE-UHFFFAOYSA-N 323.421 4.582 30 20 DJED C=CC[C@@H]1N(C(=O)c2ccc(C(F)F)cc2)CCCC1(C)C 470308032 KYENZZVZTANXGT-HNNXBMFYSA-N 307.384 4.831 30 20 DJED C=CCSc1ccccc1C(=O)Nc1cccc(F)c1C 486410274 RRGOOLUPFUPUCC-UHFFFAOYSA-N 301.386 4.665 30 20 DJED CC(C)(C)CCCC(=O)N(Cc1ccco1)c1ccccc1C#N 504354441 ZUFCINNDGFVMGQ-UHFFFAOYSA-N 324.424 4.901 30 20 DJED CC[C@@](C)(C#N)C(=O)Nc1ccc(SC2CCCC2)cc1 505640686 XJDYCOKMWGITHN-KRWDZBQOSA-N 302.443 4.600 30 20 DJED Cc1c(CN2CCC(C#N)CC2)sc2c(Cl)cccc12 507922256 SGEMKTYHEDPNSJ-UHFFFAOYSA-N 304.846 4.599 30 20 DJED CC(C)(C)CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510703811 QYNQKBSAPXZLAH-UHFFFAOYSA-N 323.396 4.518 30 20 DJED CC[C@H](C)[C@H](NCCCSCC#N)c1ccc(Cl)cc1 538196992 AEHTYEWIVYFHRU-BBRMVZONSA-N 310.894 4.664 30 20 DJED Cc1cc([C@@H](N[C@H](C)c2cccc(C#N)c2)C2CC2)ccc1F 538408641 JWTOBICVHDVWGJ-VLIAUNLRSA-N 308.400 4.808 30 20 DJED CC(C)[C@@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1F 542853889 LZPDJXKHHUVAQF-GOSISDBHSA-N 316.807 4.838 30 20 DJED CCCCOc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1 556589264 RFVXMOCLUBTTCN-MRXNPFEDSA-N 308.425 4.588 30 20 DJED C=CCN(CCC#N)C(=O)Nc1ccc(-c2ccccc2)cc1C 581585312 DPJSUTJIPAMCNM-UHFFFAOYSA-N 319.408 4.596 30 20 DJED Cc1ccc(CN(C(=O)CCCCCC#N)C(C)(C)C)cc1 602380238 QISCPHGIMPMGGH-UHFFFAOYSA-N 300.446 4.596 30 20 DJED C=CCN(Cc1ccccc1)C(=O)N[C@H](C)c1cccc(C)c1C 604670150 XKJUVLZGDGJZSK-GOSISDBHSA-N 322.452 4.762 30 20 DJED C=C(C)CN(CC)C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 606167838 AGGICUCPKVQYNN-CYBMUJFWSA-N 313.363 4.624 30 20 DJED C=CCCSc1nnc(-c2ccc(Cl)cc2)n1CCC 606755682 IQEVVEXTAULQGI-UHFFFAOYSA-N 307.850 4.677 30 20 DJED CCCCN(Cc1ccc(C#N)s1)[C@@H](C)c1ccc(C)o1 611258082 JMNLVESNYSAMJW-AWEZNQCLSA-N 302.443 4.885 30 20 DJED C#CCOc1ccc(CN[C@H](C)c2cccc3ccccc23)cc1 733323372 XAXFVXATHSOITK-QGZVFWFLSA-N 315.416 4.703 30 20 DJED Cc1ccc(C2CC(=NNc3cccc(C(F)(F)F)n3)C2)cc1 739421132 DVDCSOZYDGMUPD-UHFFFAOYSA-N 319.330 4.754 30 20 DJED COc1ccc(/C=C\C(=O)c2c[nH]c3cc(F)ccc23)cc1C 749451549 GFYMVMWGOAXYDY-CLTKARDFSA-N 309.340 4.520 30 20 DJED O=C(/C=C/C=C\c1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 750897169 XQIARIKUJFCWAI-OCMWXIPCSA-N 319.316 4.793 30 20 DJED COc1ccc(Cl)cc1C(=O)/C=C/c1cnc(Cl)c(C)c1 760261440 BYHYLXQZXAWXQX-HWKANZROSA-N 322.191 4.602 30 20 DJED C=CCOc1ccccc1CN[C@H](C)c1cccc(OCC)c1 765910422 ZFXWJRRPISHKDC-MRXNPFEDSA-N 311.425 4.501 30 20 DJED CC(C)(C#N)CCCCOC(=O)C1CCC(C(F)(F)F)CC1 769434941 OJMPXTAGOKZDLY-UHFFFAOYSA-N 319.367 4.618 30 20 DJED CC(CCCC(F)(F)F)=NNc1ncccc1C(F)(F)F 774369978 IQWCVWXXZOCLFL-UHFFFAOYSA-N 313.245 4.621 30 20 DJED CCOc1cccc([C@H](C)Nc2cccc(OCCCC#N)c2)c1 776842106 UCNHPEGUQSJRPW-INIZCTEOSA-N 324.424 4.941 30 20 DJED CCCCC[C@@](C)(CC)C(=O)N(C)Cc1ccc(C#N)cc1 780328268 BBLGPCCMMQFTEQ-LJQANCHMSA-N 300.446 4.513 30 20 DJED Cc1cccc(CC[C@H](C)Nc2ccccc2O[C@@H](C)C#N)c1 780742973 DDUMLUSNCXIADQ-IRXDYDNUSA-N 308.425 4.719 30 20 DJED CC(=O)Nc1ccc(C(C)=NNc2cccc3ccccc23)cc1 781591969 VTTLXLMCGSLMFS-UHFFFAOYSA-N 317.392 4.634 30 20 DJED CC(C)Oc1cccc([C@@H](C)OC(=O)C2(C#N)CCCCC2)c1 781673652 AOMMLPLIZAVEKO-OAHLLOKOSA-N 315.413 4.552 30 20 DJED Cc1ccccc1[C@H](OC(=O)CC(C)(C)C#N)c1cccs1 786383139 WGTVHLRBXXRAPQ-KRWDZBQOSA-N 313.422 4.629 30 20 DJED O=C(/C=C\c1cccc(C(=O)O)c1Cl)c1cccc(Cl)c1 787167060 CZTUCUABXKHBPI-FPLPWBNLSA-N 321.159 4.588 30 20 DJED Cc1ccnc(NN=C[C@H](C)c2ccc(C(F)(F)F)cc2)c1 789023338 LLFLNIUZXGOYJJ-LBPRGKRZSA-N 307.319 4.610 30 20 DJED Cc1ccc(C(=O)Nc2ccc(-c3ccco3)cc2F)cc1C#N 799374869 QJCPYAVIHQHHQI-UHFFFAOYSA-N 320.323 4.518 30 20 DJED C#CCCCCCC(=O)N(Cc1ccccc1Cl)CC1CC1 804324544 IAMDKWWICBBWJP-UHFFFAOYSA-N 317.860 4.662 30 20 DJED O=C(O)c1ccc(C(=O)/C=C\c2csc3ccccc23)s1 810236979 CQFPUVYOVMPGFC-WAYWQWQTSA-N 314.387 4.557 30 20 DJED C(=NNC[C@H]1CCSC1)c1c2ccccc2cc2ccccc12 811661999 ZFTRXWZBNLWOGC-OAHLLOKOSA-N 320.461 4.670 30 20 DJED C=CCCCCCCCNC(=O)N(C)[C@@H](C)c1cccc(O)c1 812495027 HYSRBWIEXSDPSM-INIZCTEOSA-N 318.461 4.621 30 20 DJED CCCCCCCCc1nnc(NC(=O)c2occc2C)s1 818640867 TXJILLBDWTZTBP-UHFFFAOYSA-N 321.446 4.595 30 20 DJED CCCCOC(=O)c1ccc(N[C@H](C)c2cccc(C#N)c2)cc1 863997133 OPEDIOCATJWLOS-OAHLLOKOSA-N 322.408 4.688 30 20 DJED C[C@@H](Nc1ccc(F)cc1C#N)c1cccc(OC(F)(F)F)c1 864011540 ZPLXIQAWVFLNFE-SNVBAGLBSA-N 324.277 4.769 30 20 DJED Cc1cc(C#N)cc(C)c1CC(=O)Nc1c(C)cccc1C(C)C 906893942 ITQRKVDHZUSBCH-UHFFFAOYSA-N 320.436 4.788 30 20 DJED O=C(/C=C/c1ccc(F)c(F)c1)c1cccc(Br)c1 916134296 JNDMDRNPSXXVOB-FNORWQNLSA-N 323.136 4.623 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc2sccc2c1 1129983503 DRKACKRNYDPGCN-CYBMUJFWSA-N 320.417 4.606 30 20 DJED N#Cc1ccc(SCc2cccc3c2CCOC3)c(Cl)c1 1165831920 ACNWDZRYJPFCGY-UHFFFAOYSA-N 315.825 4.577 30 20 DJED C[C@H]1CCCN(C(=O)Nc2cc(F)cc(C#N)c2)c2ccccc21 1208348647 BXUQDDQUTDUQDW-ZDUSSCGKSA-N 323.371 4.633 30 20 DJED CCc1nc(C#N)cc(N[C@H](CC2CCCC2)c2ccccc2)n1 1307073557 XDIVAGCCQCVLMZ-GOSISDBHSA-N 320.440 4.644 30 20 DJED N#CCc1cccc(NCc2ccc(Oc3ccccc3)cc2)n1 1324084790 BZJQXLQDIBLNMH-UHFFFAOYSA-N 315.376 4.552 30 20 DJED C[C@@H](NCCCCC1(C#N)CCC1)c1ncc(-c2ccccc2)o1 1351293013 BOZRNVDYPACOST-MRXNPFEDSA-N 323.440 4.856 30 20 DJED CCN(C(=O)[C@@H](C)c1ccccc1C)[C@H](C)c1ccc(C#N)cc1 1354501888 GAEYACIGQVWOAY-DLBZAZTESA-N 320.436 4.580 30 20 DJED CC(C)c1ccc(-n2ccnc2S[C@H]2CC[C@@H](C#N)C2)cc1 1458835205 NLIGUEHDPIXDLG-PBHICJAKSA-N 311.454 4.780 30 20 DJED C[C@H](CNc1nc(C(C)(C)C)ccc1C#N)c1ccc(F)cc1 1472678539 IQRJCRVHIYUORO-CYBMUJFWSA-N 311.404 4.605 30 20 DJED CC1(C)CCCC[C@@H]1CC(=O)Nc1cc(C#N)cn1C(C)(C)C 1517430400 YTWVEBRYWGCDQB-OAHLLOKOSA-N 315.461 4.660 30 20 DJED CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)CC1 1518030608 QSJNGBHUGDGLGU-XJKSGUPXSA-N 318.848 4.546 30 20 DJED N#Cc1ccccc1N(C(=O)c1cc2occc2s1)C1CCC1 1532422844 UOZGQKUBINNDMC-UHFFFAOYSA-N 322.389 4.565 30 20 DJED N#Cc1c(Cl)nsc1NCc1cc(Cl)cc(Cl)c1 1612600653 OJLRGSYRCHDMKF-UHFFFAOYSA-N 318.616 4.587 30 20 DJED CC(C)Oc1ccc(CSc2cccnc2C#N)cc1Cl 1641128217 DITPQNWEGKOLFO-UHFFFAOYSA-N 318.829 4.686 30 20 DJED Cc1c(Cl)cccc1-n1ccnc1SCC(C)(C)CC#N 1651687708 FDDVUUJLQPREIC-UHFFFAOYSA-N 319.861 4.866 30 20 DJED Cc1ccc([C@H]2CCC[C@@H]2N(C)Cc2ccc(C#N)cc2F)cc1 1651738483 ZGMYISGJWWVRLF-CTNGQTDRSA-N 322.427 4.774 30 20 DJED N#CCc1ccc(CN(c2ccc(F)cc2)C2CCCC2)cc1 1657683252 WHKHEOREKCOKNM-UHFFFAOYSA-N 308.400 4.841 30 20 DJED N#CCC[C@@H](NC(=O)Nc1cscc1Cl)c1ccccc1 1664504553 GXMGTQCTLNECFM-CYBMUJFWSA-N 319.817 4.568 30 20 DJED CC(C)(C)C[C@@H]1CCN(C(=O)Nc2cccc(C#N)c2)C1(C)C 1673021742 DLPNNBCOIVISIN-HNNXBMFYSA-N 313.445 4.627 30 20 DJED CC[C@@H]1CCC[C@@H](C=NNc2ccc(Cl)c(C(=O)O)c2)C1 1776033576 CEUPVSJPSSPXSS-VXGBXAGGSA-N 308.809 4.652 30 20 DJED Cc1coc(-c2ccc(C)c(NCc3ccc(C#N)s3)c2)n1 152561501 RNVZFRDSVKTDRH-UHFFFAOYSA-N 309.394 4.504 30 20 DJED C=C(Br)CNCc1c(CCCC)oc2ccccc12 161375216 GUYOUADGNUYPLH-UHFFFAOYSA-N 322.246 4.774 30 20 DJED Cc1nc2ccccc2nc1CS[C@H](C)c1ccc(C#N)cc1 172417932 HGSDPBGFTQDDNA-CQSZACIVSA-N 319.433 4.804 30 20 DJED C=CCc1cc(/C=C\C(=O)c2ccc(C)c(C)c2)cc(OC)c1O 208124267 GLFDKGDNOSUINE-NTMALXAHSA-N 322.404 4.642 30 20 DJED C[C@H]1CCC[C@@H]1CC(=O)Nc1ccccc1S[C@H](C)CC#N 249020094 QLHWTGJUJVJBIP-RRFJBIMHSA-N 316.470 4.846 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](C)C(C)(C)C 265328680 WDTSGBXLJQAXJN-OLZOCXBDSA-N 304.459 4.559 30 20 DJED CC[C@@H](N[C@H](C)c1cccc(F)c1F)c1ccc(C#N)cc1 278776534 POBKBVIJPSRMIA-SJKOYZFVSA-N 300.352 4.638 30 20 DJED C[C@@H](Nc1ncc(C#N)cc1Cl)c1cc2ccccc2s1 301200144 PQTDSEKUNJWKQT-SNVBAGLBSA-N 313.813 4.994 30 20 DJED C[C@H](NC(=O)Nc1cccc(CC#N)c1)c1ccc(C2CC2)cc1 417205644 IQAREJOAKFJAPV-AWEZNQCLSA-N 319.408 4.513 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCC[C@@H](CC(F)(F)F)C1 420947547 MYTAUIXMAPGRTH-AWEZNQCLSA-N 324.390 4.652 30 20 DJED C=CCN(C(=O)[C@@]12CCC[C@H]1C2)c1nc(-c2ccccc2)cs1 421459746 VHHRMRPKPQXZGO-HNAYVOBHSA-N 324.449 4.519 30 20 DJED N#C[C@H]1CCC[C@H](Nc2ccc(SCc3ccccc3)cn2)C1 463238837 TYVOFJVQRBRGAP-IRXDYDNUSA-N 323.465 4.868 30 20 DJED CSc1ccc(C)c(NC(=O)C[C@H](CC#N)c2ccccc2)c1 476607043 QKCLNJGXEILGPW-INIZCTEOSA-N 324.449 4.743 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCC[C@@H]1c1ccsc1 480525197 STSUNVWFFICZFY-MRXNPFEDSA-N 302.830 4.610 30 20 DJED C=C(C)[C@@H](N[C@H](C)c1ccc(OC)cc1)c1ccc(F)c(F)c1 480681899 NKDYCKVVXNPFFX-BFUOFWGJSA-N 317.379 4.941 30 20 DJED C[C@H](Sc1ncccc1C#N)c1cccc(Br)c1 481392392 MBBBWMQOQCNPKF-JTQLQIEISA-N 319.227 4.569 30 20 DJED C=C[C@@H](CC(=O)N(c1ccccc1OC)C(C)C)c1ccccc1 484910051 OCCFOKTUWKVXSC-KRWDZBQOSA-N 323.436 4.797 30 20 DJED C[C@@H](Sc1cc(C#N)ccn1)c1ccc(Br)cc1 487128336 OQNHJYFDWMHAJP-SNVBAGLBSA-N 319.227 4.569 30 20 DJED Cc1ccc2ncc(C#N)c(OCCCCC(F)(F)F)c2c1 488256698 AJDLGEDMDSFGKB-UHFFFAOYSA-N 308.303 4.526 30 20 DJED C=CC[C@H](C(=O)N[C@H]1CCC[C@@H](SCC)C1)c1ccccc1 489675750 RBQNSNAYBMOASO-KSZLIROESA-N 317.498 4.527 30 20 DJED C=CCCCCCNc1ccc(F)cc1OC1CCOCC1 506218838 JKVYMGZFYLFYSR-UHFFFAOYSA-N 307.409 4.542 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cc2ccccc2o1 512506876 RBHZRRBIZSAMTO-UHFFFAOYSA-N 323.440 4.789 30 20 DJED C=CCCc1ccccc1NC(=O)c1ccn(C)c1C1CCC1 512778205 DGQWTCFCUMQFEH-UHFFFAOYSA-N 308.425 4.664 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 533970779 MCRQSNCPRAFNRR-ZDUSSCGKSA-N 310.784 4.510 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1ccnc2ccccc12 534336686 XEGWDRUWKQZSPG-UHFFFAOYSA-N 315.420 4.517 30 20 DJED CCO[C@H](C)c1nc(CSc2ccc(C#N)c(C)c2)cs1 583812118 RGPSBWROZCNBLY-GFCCVEGCSA-N 318.467 4.713 30 20 DJED CC(C)(C)C[C@@H](NC(=O)CCCCCC#N)c1ccccc1 588150489 XLRPRUNHECUFGO-QGZVFWFLSA-N 300.446 4.754 30 20 DJED N#Cc1ccc(Sc2ccc(Cl)c(C(F)(F)F)c2)nc1 589793705 DNOMHRMZSAVSRZ-UHFFFAOYSA-N 314.719 4.777 30 20 DJED C=CCCC(=O)N[C@@H](C)c1ccc(OCc2cccc(C)c2)cc1 590023974 GELUFANIEAYVGE-KRWDZBQOSA-N 323.436 4.717 30 20 DJED CC[C@H](C#N)C(=O)Nc1ccccc1Oc1c(C)cccc1C 593421368 ZTPLDWNFQHUBKM-OAHLLOKOSA-N 308.381 4.584 30 20 DJED CCC[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 604360702 BIPRQFOBECSDRE-AWEZNQCLSA-N 323.396 4.661 30 20 DJED CCC(CC)CN(CCC#N)C(=O)C[C@H](CC)c1ccccc1 609188611 KEGMEWRDADFVLD-SFHVURJKSA-N 314.473 4.749 30 20 DJED C[C@H](CC1CCCCC1)C(=O)N(CCC#N)c1ccc(F)cc1 609622415 BHRUBELXJNDCCV-OAHLLOKOSA-N 316.420 4.679 30 20 DJED C[C@H](NC(=O)Nc1cccc2ccsc12)c1cccc(C#N)c1 611052023 KDOSUALCWWJWEE-LBPRGKRZSA-N 321.405 4.656 30 20 DJED Cc1nc(S[C@H](C#N)Cc2ccccc2)[nH]c1-c1ccccc1 614476305 LVSJMRKMKFDBGA-KRWDZBQOSA-N 319.433 4.612 30 20 DJED Cc1ccc(C)c2c1CCC[C@@H]2N[C@@H]1CCc2cc(C#N)ccc21 618803355 ICSDXCGNRWROQH-RTWAWAEBSA-N 316.448 4.830 30 20 DJED N#Cc1ccc(CN[C@@H](CC2CC2)c2ccccc2)cc1Cl 619755248 DSLZUEYJEWRZBL-IBGZPJMESA-N 310.828 4.843 30 20 DJED CCCc1ccc(C(=O)/C=C\c2ccc(OCCOC)cc2)cc1 730464476 RWZBTNARQQVNDY-ZROIWOOFSA-N 324.420 4.560 30 20 DJED Clc1ccc(C=NN(Cc2ccccc2)c2ccccc2)cn1 748777458 AYZCLGNJKKRMHU-UHFFFAOYSA-N 321.811 4.776 30 20 DJED C[C@@H](OC(=O)Cc1ccc(C#N)cc1)c1cccc2ccccc12 750245906 NELXJCCXPPONKK-OAHLLOKOSA-N 315.372 4.558 30 20 DJED O=C(/C=C\c1cc2ccccc2o1)c1ccc(-n2cccn2)cc1 750904258 HHBQMPUFWDQQKR-KHPPLWFESA-N 314.344 4.515 30 20 DJED CCCCCCCCCC[C@H](C)NC(=O)N1CCC(C#N)CC1 758981630 GJMBCRFNTWGIJQ-KRWDZBQOSA-N 321.509 4.851 30 20 DJED C=C(CC)COC(=O)CCC(=O)c1cc(Cl)sc1Cl 773531303 RAQCVTFOXMGMMZ-UHFFFAOYSA-N 321.225 4.527 30 20 DJED C=CCC[C@H](C(=O)OCc1ncc(C(C)C)o1)c1ccccc1 778552954 SIDMOSZAPWGRPL-INIZCTEOSA-N 313.397 4.591 30 20 DJED C#CCCCCCC(=O)N(Cc1cccc(Cl)c1)C(C)C 779818296 KRRZWUTYVSMBQH-UHFFFAOYSA-N 305.849 4.661 30 20 DJED O=C(/C=C/c1scnc1C1CC1)c1nc2ccccc2s1 782315796 YQWOOLGXOXYSBS-BQYQJAHWSA-N 312.419 4.526 30 20 DJED FC(F)Oc1ccc(NN=CCc2cccc(Cl)c2)cc1 794904704 ARLAEBBRBVZECB-UHFFFAOYSA-N 310.731 4.582 30 20 DJED N#Cc1cc(Cl)nc(NN=C2CCC3(CCCC3)CC2)c1 811646020 IEHBZKMBMSFQHS-UHFFFAOYSA-N 302.809 4.509 30 20 DJED FC(F)C1CCC(=NNc2cc(Cl)nc(Cl)c2)CC1 819828860 SBDHZJGHTHNLKX-UHFFFAOYSA-N 308.159 4.612 30 20 DJED Cc1cccc(-c2cncc(C(=O)O[C@H](C)CC(C)(C)C#N)c2)c1 851207920 JSGDSDLPXBBBQV-OAHLLOKOSA-N 322.408 4.542 30 20 DJED N#CCCCC(=O)O[C@H](c1ccc2ccccc2c1)C(F)(F)F 851583679 NOADGMICZKQUJZ-MRXNPFEDSA-N 321.298 4.680 30 20 DJED C=CC[C@@H](NCc1ccsc1C(F)(F)F)c1ccncc1 862281480 ZXEYXWPMPJYHLB-CYBMUJFWSA-N 312.360 4.569 30 20 DJED C[C@@H]1CCCC[C@@H]1OCC/N=C\c1c(O)ccc2ccccc12 915979782 SOVGDSLQMMVFPJ-BKOOLHNBSA-N 311.425 4.560 30 20 DJED CCCOc1c(Cl)cc(C=NNc2ccccc2)cc1OC 916540400 VBQWHTIOHCSUEW-UHFFFAOYSA-N 318.804 4.583 30 20 DJED CCC[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 916627900 CLKKKJZLVVRWMR-UKRRQHHQSA-N 312.438 4.731 30 20 DJED CC(C)c1ccc([C@@H](C)NN=Cc2ccc(F)cc2F)cc1 917553004 WLWBJNKCNCUUCJ-CYBMUJFWSA-N 302.368 4.773 30 20 DJED CCc1ccc(N(C(=O)CC2(C#N)CCCCC2)C(C)C)cc1 1129580134 GMIUHIZKBCHBIX-UHFFFAOYSA-N 312.457 4.855 30 20 DJED Cc1cc(C#N)cc(NC(=O)C2(c3cccs3)CCCCC2)c1 1129687566 HJYMROUGFKCBHK-UHFFFAOYSA-N 324.449 4.769 30 20 DJED C[C@@H]1c2c(F)cccc2CCN1CCC1(C#N)CCCCC1 1167472505 AHOOXNUKMRWCAF-OAHLLOKOSA-N 300.421 4.609 30 20 DJED CCc1cc2c(Sc3ccc(C#N)cc3)nc(C)nc2s1 1184972564 HSBYIZGAPZNLKJ-UHFFFAOYSA-N 311.435 4.585 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2CC(C)(C)[C@@H]2c2ccccc2)n1 1185028412 IAKIFDGGFYZCLW-SFHVURJKSA-N 319.452 4.838 30 20 DJED C=CCN(Cc1cccs1)Cc1ccccc1N1CCCC1 1319925225 RSJNAPYXZKUAIH-UHFFFAOYSA-N 312.482 4.537 30 20 DJED CC[C@@H](C)[C@@H](c1ccccc1)c1nnc(-c2cccc(C#N)c2)o1 1322342851 KBYYVWNEOQLHOM-KDOFPFPSSA-N 317.392 4.786 30 20 DJED CCC[C@@H]1CCc2ccccc2N1C(=O)CC1(C#N)CCCCC1 1435529222 BUBCGAFLGVFGLD-GOSISDBHSA-N 324.468 4.999 30 20 DJED CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)C2(C#N)CCCCC2)C1 1462160760 NHXMCGBOOFOHCB-QGZVFWFLSA-N 324.468 4.712 30 20 DJED N#Cc1cnc(N2CCC[C@H]2c2cccc3ccccc23)c(F)c1 1472668366 YVUCXJVODSGEII-IBGZPJMESA-N 317.367 4.587 30 20 DJED Cc1nsc(N[C@@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)c1C#N 1472804707 JUXDPQTWMOFBRU-VBNZEHGJSA-N 311.454 4.708 30 20 DJED CC[C@@H](C)[C@@H](C)NCCC(C#N)(c1ccccc1)c1ccccc1 1473323818 UPCGLWHTFHBEHV-RTBURBONSA-N 320.480 4.911 30 20 DJED CC(C)c1ncsc1C(=O)Nc1cc2ccccc2cc1C#N 1525265890 KRNKUWUEICJDSN-UHFFFAOYSA-N 321.405 4.544 30 20 DJED CCC[C@@H]1CCC[C@@H]1C(=O)N(CC)c1ccc(C#N)c(Cl)c1 1544757340 LXFDQZVXVYTYIE-CJNGLKHVSA-N 318.848 4.781 30 20 DJED CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNc1ccc(Cl)c(C#N)n1 1559088402 XEEKXXRWKKMZRO-MCIONIFRSA-N 305.853 4.727 30 20 DJED CCC1(CC)CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1562110836 WTZYESVGIZALAD-UHFFFAOYSA-N 319.836 4.646 30 20 DJED Cc1cccc2nc(NCc3ccc(C#N)c(Cl)c3)sc12 1642618885 KBFDOVCRYSCKMV-UHFFFAOYSA-N 313.813 4.742 30 20 DJED Cc1nsc(NC2CCC(c3ccc(F)cc3)CC2)c1C#N 1655362494 LGSBHUXNCAJVGJ-UHFFFAOYSA-N 315.417 4.601 30 20 DJED CCC(C)(C)C1CCC(=NNc2ccc(C(=O)O)c(F)c2)CC1 1776073340 PIIAROSVTODPMR-UHFFFAOYSA-N 320.408 4.918 30 20 DJED Cc1cc(SCc2ccc(C#N)cc2F)nc2ccccc12 11317183 UKUQJGKYVBYKKX-UHFFFAOYSA-N 308.381 4.846 30 20 DJED CCOc1ccc(-c2nc(-c3ccc(C#N)cc3)cs2)cc1 21224938 APPWTOOODIVMSX-UHFFFAOYSA-N 306.390 4.747 30 20 DJED C[C@H](c1ccccc1Cl)N(C)Cc1cc(C#N)ccc1F 30972179 XJBWDKRDKUQNTI-GFCCVEGCSA-N 302.780 4.544 30 20 DJED N#Cc1ccc(F)c(CNc2ccc(SC(F)F)cc2)c1 78529904 MCXMPZQUBKEILE-UHFFFAOYSA-N 308.328 4.624 30 20 DJED CC(C)C[C@@H](NCc1cc(C#N)ccc1F)c1cccs1 90117426 XPDRNGZZMWRKPP-MRXNPFEDSA-N 302.418 4.636 30 20 DJED N#Cc1ccc(Cl)cc1OCc1cccc(C(F)(F)F)c1 129037989 JOZQCYHQBGZMMF-UHFFFAOYSA-N 311.690 4.809 30 20 DJED COc1ccc2cc(CN[C@@H](C)c3cccc(C#N)c3)ccc2c1 174430163 WZYIGPPOGJYDKA-HNNXBMFYSA-N 316.404 4.571 30 20 DJED C=C[C@H](CC(=O)N[C@@H]1CCSc2ccccc21)c1ccccc1 179346476 LNYLSGLESVKMCR-CRAIPNDOSA-N 323.461 4.700 30 20 DJED C=CCOc1ccc(CN[C@H](CC)c2cc(F)ccc2F)cc1 237014556 FSDDYOOKJAMTPM-LJQANCHMSA-N 317.379 4.771 30 20 DJED CC(C)N(C(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 280629253 XFGGRDLOAOYTAZ-UHFFFAOYSA-N 306.409 4.543 30 20 DJED CCC(C)(C)c1ccc(C[S@](=O)CCCC(C)(C)C#N)cc1 285258760 VCMBSPUAXFJETR-JOCHJYFZSA-N 319.514 4.953 30 20 DJED CCOc1ccccc1[C@H](CC)Nc1ccc(Cl)c(C#N)n1 301531752 PQAKCVOMUIVQJY-AWEZNQCLSA-N 315.804 4.569 30 20 DJED OC(CC1CCCC1)=Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 328785960 WJUCHIDESMGXDM-UHFFFAOYSA-N 310.401 4.517 30 20 DJED Cc1cc(O)nc2cc(/C(O)=N/C3(C)CCC(C)CC3)ccc12 329259965 ASQLAKLORIGRPJ-UHFFFAOYSA-N 312.413 4.522 30 20 DJED Cc1csc([C@H](C)/N=C(/O)Nc2ccc(C3CCC3)cc2)n1 330198258 SZRFHYGPBJPRJS-LBPRGKRZSA-N 315.442 4.806 30 20 DJED N#CC1(CCSc2nnc(-c3ccccc3)o2)CCCCC1 412977346 KJPKXGWJZOACDI-UHFFFAOYSA-N 313.426 4.693 30 20 DJED CC(C)(C#N)CCCCSCc1cc2ccccc2nc1O 435886396 WUKHFRXZYJFAFZ-UHFFFAOYSA-N 314.454 4.894 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1ccc(OC(C)C)cc1Cl 439388634 SNVFCPXGWDDCAS-LBPRGKRZSA-N 310.825 4.603 30 20 DJED CC1(C)CCCN(Cc2nc(C3CCCCC3)cs2)[C@H]1C#N 444716277 JCQWBSTUUVUPFC-INIZCTEOSA-N 317.502 4.705 30 20 DJED N#Cc1nc(SC2CCC(C(F)(F)F)CC2)ccc1Cl 450862708 AEJKVPPRTAKESC-UHFFFAOYSA-N 320.767 4.820 30 20 DJED CO[C@H](CNc1ccc(Cl)cc1C#N)c1cccc(Cl)c1 462959375 ZOTILSNFQVISAG-MRXNPFEDSA-N 321.207 4.665 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC(=O)CCCC1CCCC1 463141473 BWOMPMIWLONDJN-UHFFFAOYSA-N 314.429 4.644 30 20 DJED N#C[C@@H]1CC[C@@H](N[C@H](c2ccc(Cl)cc2)C2CCCC2)C1 467359598 ONSTVAJOXMNQKH-XWIAVFTESA-N 302.849 4.853 30 20 DJED Cc1oc(-c2ccccc2)nc1COc1cc(Cl)ccc1C#N 474324778 BWXJYFHXMLDTDV-UHFFFAOYSA-N 324.767 4.754 30 20 DJED C=CCC[C@H](CCC)N[C@H](C)c1ccc(Br)cn1 475512293 YKVWWMRPBBEODR-OCCSQVGLSA-N 311.267 4.630 30 20 DJED C=CCCCC(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 479535315 GXNSAPQASONELI-SECBINFHSA-N 304.192 4.666 30 20 DJED C=C(C)[C@@H](NC1CCC2(CCCO2)CC1)c1ccc(F)c(F)c1 519817339 QULWLGTUXDAAOI-ZCDLSOSASA-N 321.411 4.663 30 20 DJED C[C@@H](N[C@@H]1CCc2cc(F)c(Cl)cc21)c1ccc(C#N)cc1 527850731 KLRNHWXQSDVMPG-ADLMAVQZSA-N 314.791 4.689 30 20 DJED N#CC1(CN[C@@H](Cc2ccccc2Cl)c2ccccc2)CC1 540589654 HAKQMTBZLCHOJE-SFHVURJKSA-N 310.828 4.517 30 20 DJED C[C@@H](NC(=O)C1=CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 541071086 SEPVXWJYMVWOEU-OAHLLOKOSA-N 316.404 4.513 30 20 DJED N#Cc1ccc(C(=O)N(CC2CCC2)c2ccccc2)cc1Cl 548287733 IYWVTJHHYUPEFW-UHFFFAOYSA-N 324.811 4.659 30 20 DJED Cc1ccc(C)c2c1CCC[C@@H]2NC1(c2cccc(C#N)c2)CC1 560261385 NPKKPNVMQRCSGR-FQEVSTJZSA-N 316.448 4.831 30 20 DJED CC(C)(CCC#N)CNCc1ccc(F)c(-c2cccs2)c1 572318785 XYRMABZNLIVPKE-UHFFFAOYSA-N 316.445 4.974 30 20 DJED C=CCCC1(c2nc(CSCc3ccccc3)no2)CC1 577659927 ICDGTJGMJITGLW-UHFFFAOYSA-N 300.427 4.501 30 20 DJED N#C[C@@H]1CC[C@@H](N2CCC(c3ccc(Cl)cc3Cl)CC2)C1 578791892 ZBAPOXMVJMIBPI-IUODEOHRSA-N 323.267 4.865 30 20 DJED CC(C)Sc1ccc(C(=O)/C=C\c2ccc(F)nc2)cc1 588523966 NGZBMHNBQPDEHP-OQFOIZHKSA-N 301.386 4.617 30 20 DJED N#CCCCCCc1nc(Cc2c(Cl)cccc2Cl)no1 589070965 ZEUKPWZINPWWPK-UHFFFAOYSA-N 324.211 4.594 30 20 DJED Cc1ccc(-c2ccc(C3(C#N)CCOCC3)cc2)c(F)c1F 600848611 FREYEWIMUUYNFD-UHFFFAOYSA-N 313.347 4.512 30 20 DJED Cc1cc(C)c(C#N)c(N[C@@H](C)c2cccc(OC(C)C)c2)n1 603859939 LTYPVRWKHGGYNJ-HNNXBMFYSA-N 309.413 4.530 30 20 DJED C[C@@H](NCc1ccc(OC(C)(C)C)cc1)c1ccc(C#N)cc1 610341400 IQULJXZAJQFDKS-OAHLLOKOSA-N 308.425 4.586 30 20 DJED CC(C)(CCC#N)CN1CCC[C@H](c2cc3ccccc3[nH]2)C1 611259262 BKCZEOCRBFVUOI-KRWDZBQOSA-N 309.457 4.677 30 20 DJED Cc1cccc2c(C(=O)[C@H](C#N)c3nc(C4CC4)cs3)coc12 647380373 JQAWVXZDRDYPDW-ZDUSSCGKSA-N 322.389 4.565 30 20 DJED C#Cc1cccc(NC(=S)N2CCC[C@@H]2c2cccc(C)c2)c1 726472458 PCPGZKBQRZDPPJ-LJQANCHMSA-N 320.461 4.510 30 20 DJED CCC(CSc1ccc(Cl)cc1)=NNc1ccccn1 734295584 ZTJFXBGLCNOCSS-UHFFFAOYSA-N 305.834 4.705 30 20 DJED Cc1ccc(N(CCC#N)C(=O)C[C@@H](C)c2cccc(F)c2)cc1 734811558 JJOCSBYOXUJLPI-MRXNPFEDSA-N 324.399 4.575 30 20 DJED O=C(/C=C/c1cnc2ccc(Cl)cn12)c1ccc(Cl)cc1 737444881 UYFZBWZNFITQQX-VOTSOKGWSA-N 317.175 4.537 30 20 DJED O=C(/C=C\c1ccc(OCC(F)(F)F)cc1)c1ccsc1 749105702 XAWKFGGNFQKRPO-UTCJRWHESA-N 312.312 4.585 30 20 DJED CC(=C/c1ccccc1)/C=C/C(=O)c1c(C)nn(C(C)C)c1C 750910392 SKRWUQPSODWUMS-UDPMFAINSA-N 308.425 4.923 30 20 DJED CC[C@@H](/N=C/c1c(O)ccc2ccccc12)c1c(C)noc1C 756846295 HTZBDOJRZJCJHX-MLHZQLSASA-N 308.381 4.720 30 20 DJED COc1ccc(/C=C/C(=O)c2ccccc2F)c2ccccc12 757473025 BJFUOBIVXAOAFD-ZRDIBKRKSA-N 306.336 4.884 30 20 DJED CCCCCCCC[C@@H](C)CC(=O)N1CCC[C@@H](N(C)C)CC1 760758250 NRDKITDMMAPPAH-RTBURBONSA-N 324.553 4.706 30 20 DJED CCC(CC)[C@@H](C)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 762062710 NMZDGIYMJHRCRQ-MFKMUULPSA-N 318.417 4.684 30 20 DJED COc1ccc2nc(/C=C3\CCc4ccccc4C3=O)sc2c1 788732645 OPZOEFKIHBYLMI-JLHYYAGUSA-N 321.401 4.517 30 20 DJED Cc1cc(Cl)cc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)c1O 808700301 KLGAXUKSFUAYSN-STQMWFEESA-N 314.816 4.638 30 20 DJED COc1ccc(/C=C\C(=O)c2c(F)cccc2Cl)cc1C 809159048 GTPOACNVSLXFLT-VURMDHGXSA-N 304.748 4.692 30 20 DJED CSCCCC=NNc1nc(Cl)c(Cl)cc1Cl 814741107 MHJBWAFRSURTOT-UHFFFAOYSA-N 312.653 4.583 30 20 DJED CC(C)c1nnc(CON=Cc2ccc(C(C)(C)C)cc2)s1 842018307 JOTDJULMIWFHPZ-UHFFFAOYSA-N 317.458 4.510 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1cccc2ncccc12 871658672 NXBCYLHDYIHOBS-KHPPLWFESA-N 319.408 4.525 30 20 DJED CCCCCOc1ccc(C(=O)/C=C/c2c(C)noc2C)cc1 916127688 FIWZZAWRNDUFNQ-VAWYXSNFSA-N 313.397 4.757 30 20 DJED CC(CCc1ccco1)=NNc1ccc(Br)c(C)c1 920478643 BVAWBQMDJJIZAY-UHFFFAOYSA-N 321.218 4.771 30 20 DJED CC[C@H](C)[C@H](C)C(=O)Nc1sc(-c2ccccc2)cc1C#N 1125171949 DWLHSAAOABIBLA-STQMWFEESA-N 312.438 4.907 30 20 DJED CCC(C#N)(CC)C(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 1127673229 YCZCHLOUYYISRA-GOSISDBHSA-N 312.457 4.634 30 20 DJED CCc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ccc(CC#N)cc2)o1 1167508312 GENXMFBNCRIKCR-JXFKEZNVSA-N 322.452 4.881 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1ccc2c(c1)CCCC2 1202714973 CVFUCYOLEHRMPL-UHFFFAOYSA-N 320.436 4.836 30 20 DJED C[C@@]1(c2ccccc2)CC[C@H](Nc2ccc(OCC#N)cc2)C1 1255466857 DQRPQNIPMYGXQM-AZUAARDMSA-N 306.409 4.511 30 20 DJED CC(C)(C)c1ccc(C#N)c(N[C@H]2CCCc3c(F)cccc32)n1 1307131985 PTGGMMJPERWZON-KRWDZBQOSA-N 323.415 4.879 30 20 DJED Cc1ccccc1CN(Cc1ccccc1C(C)(C)C#N)C1CC1 1307436055 WISXPOHKUGZIGA-UHFFFAOYSA-N 318.464 4.961 30 20 DJED N#Cc1cccc(CN2CCCCC[C@@H]2c2ccccc2)c1F 1307444263 RCZMZRZYXQAXJT-LJQANCHMSA-N 308.400 4.815 30 20 DJED CC[C@@H](NCCC1(C#N)CCCCC1)c1cc(F)ccc1OC 1308090739 PXKHFLJCRCPRMR-QGZVFWFLSA-N 318.436 4.739 30 20 DJED C/C(=C\c1ccccc1Cl)c1nnc(-c2cccc(C#N)c2)o1 1329074135 IUKUCVLCMNKJHT-FMIVXFBMSA-N 321.767 4.822 30 20 DJED CC(C)[C@H]1c2ccccc2CCN1C(=O)CC1(C#N)CCCCC1 1517299066 JRDMYUYUMNMVOW-FQEVSTJZSA-N 324.468 4.633 30 20 DJED CCCC[C@H](C(=O)N(c1cccc(C#N)c1)C1CCC1)C(C)C 1538998410 SFAPLHCOTDHUJV-IBGZPJMESA-N 312.457 4.906 30 20 DJED C[C@@H]1CCCN(C(=O)Nc2cc(C#N)ccc2F)c2ccccc21 1562917200 MNVDMFLVEKMYBS-CYBMUJFWSA-N 323.371 4.633 30 20 DJED N#Cc1sccc1C(=O)Nc1ccc(Nc2ccccc2)cc1 1588031993 OGWGLIUMXNWARB-UHFFFAOYSA-N 319.389 4.616 30 20 DJED C[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)c1ccc2c(c1)CCC2 1612208969 MSCPAFNSFVPLNC-CQSZACIVSA-N 319.452 4.913 30 20 DJED Cc1cc(Cl)cc(CNc2cc(C#N)ccc2OC(C)C)c1 1620962701 PGGFFSBHNVMUDG-UHFFFAOYSA-N 314.816 4.919 30 20 DJED N#C[C@H](c1ccccc1)N1CCc2c(ccc(Cl)c2Cl)C1 1652411264 WZJGGHBPMKRMRL-MRXNPFEDSA-N 317.219 4.616 30 20 DJED CCCN(Cc1ccc(C#N)cc1C)[C@@H]1CCc2ccccc21 1653225681 MSCKOFRWIJLMFK-OAQYLSRUSA-N 304.437 4.766 30 20 DJED C[C@@]1(c2ccccc2)CCCN(Cc2cccc(C#N)c2F)CC1 1654424780 BVICFTNABHSDNO-OAQYLSRUSA-N 322.427 4.641 30 20 DJED C=C(Br)CN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C 1657956608 DHHYMEGADPBZOM-BIGNPOOSSA-N 314.654 4.535 30 20 DJED C[C@@H](Cc1ccc2c(c1)CCCC2)N[C@@H](C)c1cccc(C#N)c1 1660695288 IACAHNYXWJDZNH-IRXDYDNUSA-N 318.464 4.719 30 20 DJED Cc1cc(C)c(/C=C/CNc2ccc(F)cc2OCC#N)c(C)c1 1664225581 BDWXMZLCKZMMLZ-SNAWJCMRSA-N 324.399 4.779 30 20 DJED O=C(O)c1ccccc1NN=Cc1ccc(C2CC2)c(C2CC2)c1 1776031452 HVGOZHIJIJQONV-UHFFFAOYSA-N 320.392 4.586 30 20 DJED C[C@@H]1C[C@H]1c1ccc(CN(Cc2ccc(C#N)cc2F)C2CC2)o1 30152788 NCYLSLCMMKGJDC-FZKQIMNGSA-N 324.399 4.578 30 20 DJED CC(C)c1ccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 43192022 AJJVSCWZLZCVBN-CQSZACIVSA-N 307.397 4.564 30 20 DJED CC(C)Oc1ccc([C@H](C)Nc2snc(Cl)c2C#N)cc1 52356207 WIVZDOHTEXYFND-JTQLQIEISA-N 321.833 4.628 30 20 DJED C=CCN(C(=O)[C@@H]1CC=CCC1)c1nc(-c2ccccc2)cs1 57329423 OACFWZHSDWDKSF-MRXNPFEDSA-N 324.449 4.685 30 20 DJED CC(C)CCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 72025525 RBIDUVYCGZXMFE-UHFFFAOYSA-N 323.396 4.518 30 20 DJED COc1ccc2cc(C(=O)/C=C\c3cccc(C#N)c3)ccc2c1 98002998 OEMTVAFMXWCESP-YHYXMXQVSA-N 313.356 4.616 30 20 DJED C[C@H](NCc1ccc(C#N)s1)c1ccc(Cl)cc1Cl 135668616 ZSQZOCHSUISELE-VIFPVBQESA-N 311.237 4.777 30 20 DJED CSCCCCC(=O)Nc1ccccc1S[C@H](C)CC#N 151868342 KNMRXCRUPQWMDD-CYBMUJFWSA-N 322.499 4.553 30 20 DJED CC(C)(C)OC(=O)Nc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1 185737582 OWRYFQZFLBACKT-CZUORRHYSA-N 315.417 4.528 30 20 DJED C=C(C)[C@@H](N[C@@H]1CCCc2occc21)c1ccc(F)c(F)c1 193302636 DZUUNBVCRRTWQQ-SJLPKXTDSA-N 303.352 4.842 30 20 DJED O=C(/C=C\c1ccccc1OCc1cccnc1)c1ccccc1 207687903 XRADAPUKMZHOFI-SEYXRHQNSA-N 315.372 4.557 30 20 DJED C[C@@H](CCc1ccc(O)cc1)Nc1cccc(OCCCC#N)c1 237316071 RIXPQRFBPBIRHD-INIZCTEOSA-N 324.424 4.508 30 20 DJED CC[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(C#N)cc1 278391922 DWGPKCGWMQJVCX-VQTJNVASSA-N 303.409 4.644 30 20 DJED CC(C)N(CCCC1(C#N)CCOCC1)[C@@H](C)c1ccccc1 292343402 XBOZNJYAPSDLDF-SFHVURJKSA-N 314.473 4.559 30 20 DJED CC1(C)C[C@@H](Nc2snc(Cl)c2C#N)c2ccccc21 301756728 LEGODOORVNQVGQ-GFCCVEGCSA-N 303.818 4.503 30 20 DJED N#Cc1ccc(NCc2cccc3[nH]ccc23)cc1C(F)(F)F 321073051 KPXPEMMETZYJFD-UHFFFAOYSA-N 315.298 4.670 30 20 DJED CC1(C)CC[C@H](/N=C(/O)c2conc2C2CC2)c2ccccc21 329212280 HRZPKMXHZLWLMD-INIZCTEOSA-N 310.397 4.669 30 20 DJED C=CC[C@@H](CC)NC(=O)CCCc1cc(Cl)sc1Cl 410145065 ZOPVNDZJDQFMMR-LLVKDONJSA-N 320.285 4.849 30 20 DJED Cc1ccc(CN(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)o1 425367289 SENJALPLPIGDPU-LBPRGKRZSA-N 322.330 4.521 30 20 DJED C=CC[C@H](C(=O)Nc1ccc2oc(CC)nc2c1)c1ccccc1 426632528 XIKFXEJQHRSMOB-INIZCTEOSA-N 320.392 4.689 30 20 DJED CCC[C@H](NCC1(CC#N)CC1)c1cccc(C(F)(F)F)c1 430740863 QSVIFNKWDIZJEI-HNNXBMFYSA-N 310.363 4.830 30 20 DJED C=CCN(C(=O)c1ccc(C(F)(F)F)c(F)c1)c1ccccc1 439147732 UGRRYLRTAMRZKE-UHFFFAOYSA-N 323.289 4.677 30 20 DJED CC[C@@H](N[C@H](C)CCc1ccc(OC)cc1)c1ccc(C#N)cc1 447541330 LYSBUEVWWLAFFC-IIBYNOLFSA-N 322.452 4.629 30 20 DJED Cc1cc(Sc2ccccc2)ccc1NC(=O)[C@@]1(C#N)C[C@H]1C 460056209 WUXSYBOKPIRLEG-AUUYWEPGSA-N 322.433 4.635 30 20 DJED C=C(C)[C@H](NC(=O)[C@H](C)c1ccsc1)c1ccc(F)c(F)c1 475668005 IHVUTXYNPMQMQK-BZNIZROVSA-N 321.392 4.563 30 20 DJED Cc1ccc(C)c(-n2ncc(NCC(C)(C)CCC#N)c2C)c1 478322333 DNZVDQVYCGKTRJ-UHFFFAOYSA-N 310.445 4.539 30 20 DJED C=CCCCC[C@H](C)N[C@@H](C)c1ccc(Br)cn1 479391006 MDJJTWBQZMUPMT-STQMWFEESA-N 311.267 4.630 30 20 DJED CC(C)(C)[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)cc1 484087056 YPPFILNREMTMTC-SFHVURJKSA-N 314.379 4.713 30 20 DJED CC(C)[C@@H](NCc1ccc(Cl)cc1C#N)c1ccc(F)cc1 502561148 BBSLFKKHIUJRQJ-GOSISDBHSA-N 316.807 4.838 30 20 DJED C=C(C)CCc1noc(-c2ccc(CCC(F)(F)F)cc2)n1 508597180 WMJCZRHHDIWHBB-UHFFFAOYSA-N 310.319 4.740 30 20 DJED CCN(Cc1cc(F)c(F)cc1F)[C@@H](C)c1ccc(C#N)cc1 508673260 VOEPREBXVUXJEZ-LBPRGKRZSA-N 318.342 4.559 30 20 DJED C[C@@H]1CCCC[C@H]1CCNCc1cccc(OCCCC#N)c1 512224474 IQBZOARKXBDJSX-MJGOQNOKSA-N 314.473 4.675 30 20 DJED CCCCOc1ccc(NC(=O)Nc2cccc(C#N)c2)c(C)c1 516474210 HXRXISIRJUBDTQ-UHFFFAOYSA-N 323.396 4.690 30 20 DJED C=C[C@H](CC(=O)Nc1sc(C)c(CC)c1C#N)c1ccccc1 534004681 MWWUSBYBPNLNAQ-CQSZACIVSA-N 324.449 4.789 30 20 DJED CCC(CC)[C@@H](NCc1ccc(C#N)s1)c1cccs1 538393200 OSVVPYZOIBDEMQ-MRXNPFEDSA-N 304.484 4.948 30 20 DJED CC(C)CCC(=O)CSc1ccc(C#N)c(C(F)(F)F)c1 542937500 NXUJANAAVVORBX-UHFFFAOYSA-N 315.360 4.674 30 20 DJED C=CCCCN[C@H](C)c1sc(-c2ccc(F)cc2)nc1C 543515521 XTJLFTRHUPILPP-GFCCVEGCSA-N 304.434 4.874 30 20 DJED C[C@H](c1noc(CSCc2ccc(C#N)cc2)n1)C(C)(C)C 544986311 JMPQBDKPLKIUGF-GFCCVEGCSA-N 315.442 4.524 30 20 DJED C[C@@H](NC(=O)NCC(C)(C)CCC#N)c1cccc2ccccc12 558368144 SFXUXAYQYJDWCO-OAHLLOKOSA-N 323.440 4.530 30 20 DJED Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCC1CCC(C#N)CC1 561782011 KEWUODUKTKVIMW-ALLBUHFWSA-N 321.468 4.773 30 20 DJED C=CCC[C@@H](CC)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 570553379 LJMDYPMHMQESEF-SWLSCSKDSA-N 319.836 4.785 30 20 DJED C=CCN(C(=O)c1oc2ccccc2c1CSC)C(C)(C)C 598866791 YFKIUJXPVSAVGB-UHFFFAOYSA-N 317.454 4.723 30 20 DJED N#Cc1ccsc1NC(=O)c1cc2c(s1)CCCCCC2 603450346 LUXYCRVQYYISQF-UHFFFAOYSA-N 316.451 4.593 30 20 DJED C[C@@H]1C[C@@H](CC(=O)N(C)c2ccc(C#N)cc2F)CC(C)(C)C1 609217196 ZAWKTLLGMCIDBT-HIFRSBDPSA-N 316.420 4.513 30 20 DJED CC(C)c1ccc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 610317330 PDXHDAZPVAJBRN-AWEZNQCLSA-N 307.397 4.564 30 20 DJED COc1cc(Cl)c(Cl)cc1N[C@H](C#N)Cc1ccccc1 616177012 OEIJCIYNTBYLNV-LBPRGKRZSA-N 321.207 4.549 30 20 DJED Cc1ccc(C)c2c1CCC[C@H]2N[C@@H]1CCc2cc(C#N)ccc21 618803354 ICSDXCGNRWROQH-NHCUHLMSSA-N 316.448 4.830 30 20 DJED O=C1/C(=C\c2ccccc2Br)CCc2sccc21 726891270 HWCVRFZSQABBQH-LUAWRHEFSA-N 319.223 4.723 30 20 DJED O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)CCc2sccc21 726894402 YPPRUKLLOBGHBE-YFHOEESVSA-N 319.769 4.522 30 20 DJED O=C(/C=C\c1cc(F)c(F)c(F)c1)c1ccc(Cl)s1 727972993 OGVRQQQXCUMFIT-UPHRSURJSA-N 302.704 4.715 30 20 DJED C[C@@H](Nc1ncc(C#N)cc1Cl)c1csc2ccccc12 729986298 KTPNPTRYNQNHKZ-SNVBAGLBSA-N 313.813 4.994 30 20 DJED Cc1cccc(C(=O)/C=C/C=C/c2ccccc2[N+](=O)[O-])c1C 734305404 SZMGEUWZKKSFLF-HHLXJUMTSA-N 307.349 4.664 30 20 DJED C=CCN(C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C)C(C)C 745876750 UZAARYRHUSAEFD-RRQGHBQHSA-N 320.864 4.643 30 20 DJED CCCCC(=NNc1ccc(C(F)(F)F)nn1)c1ccccc1 754709685 AJKYLIJUIFXPHL-UHFFFAOYSA-N 322.334 4.502 30 20 DJED FC(F)(F)c1ccccc1ON=Cc1nccc2ccccc12 754712832 URJJNHOBHTTXFU-UHFFFAOYSA-N 316.282 4.667 30 20 DJED CC(=NNc1nc(C(F)(F)F)cs1)c1ccccc1Cl 755906470 ZCAQUGCIILWIGD-UHFFFAOYSA-N 319.739 4.651 30 20 DJED C#CC[C@@H](N[C@@H]1CC2(CCC2)Oc2ccccc21)c1ccccc1 773118172 YONVCMKEJMEUBZ-WOJBJXKFSA-N 317.432 4.787 30 20 DJED Clc1cccc(C=NOCc2ccc3c(c2)COC3)c1Cl 778025694 ZSXGJRSESBPGBX-UHFFFAOYSA-N 322.191 4.574 30 20 DJED C#CCCCCCC(=O)Nc1ccc(COC2CCCC2)cc1 779918841 ZVEIOCBLAMUPAL-UHFFFAOYSA-N 313.441 4.668 30 20 DJED CC(=O)Nc1ccc(C(=O)/C=C\c2c(C)oc3ccccc23)cc1 781553902 ZAAYITSCXQTZKB-QXMHVHEDSA-N 319.360 4.596 30 20 DJED Fc1cccc(C2CC(=NNc3cc(F)c(F)c(F)c3)C2)c1 781592992 PVIJVICLFGRYHS-UHFFFAOYSA-N 308.278 4.589 30 20 DJED O=C(/C=C/c1scnc1C1CC1)c1cc2c(s1)CCCC2 782347454 LVRRGLUEDBNARQ-BQYQJAHWSA-N 315.463 4.857 30 20 DJED C=CC[C@H](N[C@H]1CC[C@@H](Cc2ccccc2)C1)c1ccncc1 783246412 RTQQPSOALDBANM-JBACZVJFSA-N 306.453 4.700 30 20 DJED CCCCCCCCC(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O 799055839 SIGLSKGNNWGGJS-INDMIFKZSA-N 323.521 4.525 30 20 DJED N#Cc1cccc(C(=O)/C=C/c2ccc(-c3ccccc3F)o2)c1 915992295 WFTJYMOYAYLIOJ-CSKARUKUSA-N 317.319 4.853 30 20 DJED CCCCCCCOC(=O)Cc1nc(-c2ccccc2)oc1C 918493313 OQONJDCCUXAODX-UHFFFAOYSA-N 315.413 4.706 30 20 DJED CC(C)(C)c1csc(NC(=O)[C@@H]2CCCC2(C)C)c1C#N 1129478152 QKNPHCKRVLOXSH-LBPRGKRZSA-N 304.459 4.682 30 20 DJED C=C(CNC(=O)c1ccc(C)c2ccccc12)c1ccccc1 1129587505 GCBBLLZNRVDYEQ-UHFFFAOYSA-N 301.389 4.591 30 20 DJED N#Cc1nc(SCc2ccccc2C2CC2)sc1Cl 1163068390 AFPWBACJWYFJJY-UHFFFAOYSA-N 306.843 4.838 30 20 DJED Cc1c(Cl)cnc(N(C)[C@H]2CCC[C@H]2C(C)(C)C)c1C#N 1163531142 OKQHDCHENOCLPS-HIFRSBDPSA-N 305.853 4.566 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1ccc(Cl)c(F)c1 1307357930 GJZSSDOLAUZRMN-UHFFFAOYSA-N 310.155 4.892 30 20 DJED CC(C)CN(CCC#N)Cc1cc(Cl)ccc1OCC1CC1 1307483920 XKIMJPYNZVXKOY-UHFFFAOYSA-N 320.864 4.500 30 20 DJED Cc1cc(CN2CCC[C@](C)(c3ccccc3)CC2)ccc1C#N 1308761625 ZSDNYPFOYYDKHS-QFIPXVFZSA-N 318.464 4.811 30 20 DJED C[C@@H](Cc1ccc2c(c1)CCCC2)Nc1cccc(CC#N)c1 1308769800 MKKZTTUUVRNKIO-INIZCTEOSA-N 304.437 4.675 30 20 DJED C[C@H](Nc1nc(Cl)c(C#N)s1)c1ccc(Cl)c(F)c1 1322546500 RBBMALFIUAPPTE-LURJTMIESA-N 316.188 4.634 30 20 DJED CC(C)(CCC#N)CN1CCC(Nc2ccccc2Cl)CC1 1324744065 SFUCMBTYSLTXRJ-UHFFFAOYSA-N 319.880 4.546 30 20 DJED N#CCC[C@H](Nc1ccc(C(F)(F)F)nc1)c1ccccc1 1333685364 PYCQQTOBNVOUSL-AWEZNQCLSA-N 305.303 4.557 30 20 DJED C[C@H]1CC[C@@H](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 1349234183 IJCAYIKKPXFYKZ-QWHCGFSZSA-N 316.470 4.653 30 20 DJED Cc1c([C@@H](C)OC(=O)c2ccc(C#N)cc2F)oc2ccccc12 1458956420 KAYFYDINEQTVCC-GFCCVEGCSA-N 323.323 4.670 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)CC1(C#N)CCCCC1 1519854059 QMTTXYQMUPZVBZ-IAGOWNOFSA-N 318.505 4.819 30 20 DJED Cc1ccc(C(=O)Nc2cc(C#N)ccc2F)c(Cl)c1Cl 1528048074 SFFAGDYHJVBQMZ-UHFFFAOYSA-N 323.154 4.565 30 20 DJED C[C@@H]1CCCC[C@H]1CC(=O)N(c1cccc(C#N)c1)C1CCC1 1532438186 CDOJZEFOFGOEEO-WBVHZDCISA-N 310.441 4.660 30 20 DJED Cc1c([C@H](C)OC(=O)c2cccc(C#N)c2)sc2ccccc12 1537903249 RDSKEBUFOQJZLG-ZDUSSCGKSA-N 321.401 4.999 30 20 DJED CCC(CC)Oc1ccc([C@H](C)OC(=O)[C@@](C)(C#N)CC)cc1 1542060750 MPVPPPPWGJNXTE-IFXJQAMLSA-N 317.429 4.798 30 20 DJED Cc1nc(Nc2ccc(COC(C)C)cc2)c(Cl)cc1C#N 1559079241 ORIHQUICTAXVNN-UHFFFAOYSA-N 315.804 4.584 30 20 DJED CC[C@@H](c1ccccc1)N(CC)c1nc(C)c(C#N)cc1Cl 1559086814 PDDZSOAVSYVMPR-KRWDZBQOSA-N 313.832 4.893 30 20 DJED N#Cc1cc(Cl)ccc1CN(Cc1cccc(F)c1)C1CC1 1559489975 KUJDXCNIFSDIOL-UHFFFAOYSA-N 314.791 4.515 30 20 DJED Cc1cc(NCc2ccccc2Oc2ccccc2)ncc1C#N 1611889385 NANROFBFWQRNNX-UHFFFAOYSA-N 315.376 4.666 30 20 DJED C[C@H](NCCc1ccc(C#N)cc1)C1(c2ccccc2)CCCC1 1617282983 HKQIBORIIVOUMY-SFHVURJKSA-N 318.464 4.591 30 20 DJED CCN(C[C@H](C)c1ccc(F)cc1)[C@H](C)c1ccc(C#N)cc1 1621174057 MGBJHYKILGHWJN-JKSUJKDBSA-N 310.416 4.884 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2[nH]c3ccc(C)cc3c2Cl)c1 1626379572 FWDSVEMFCSYVAZ-UHFFFAOYSA-N 323.783 4.562 30 20 DJED Cc1ccc(C#N)c(NCC2(c3cccc(F)c3)CCCCC2)n1 1639333960 JAVQQPMWNONGHD-UHFFFAOYSA-N 323.415 4.715 30 20 DJED N#Cc1ccc(NC[C@H]2CCC[C@@H]2C2CC2)cc1Br 1640030004 YDKNIHCOGAZMKX-UKRRQHHQSA-N 319.246 4.559 30 20 DJED Cc1cc(NCC2(C)CCCC2)n2c(nc3ccccc32)c1C#N 1650740507 GWULZQLXKCRMRL-UHFFFAOYSA-N 318.424 4.660 30 20 DJED Cc1c(Cl)cnc(N(C)Cc2ccc(C(C)C)cc2)c1C#N 1651352466 DOLJYFBBUCOXPQ-UHFFFAOYSA-N 313.832 4.675 30 20 DJED CC[C@H](OCCN(C)[C@H](C)c1cccc(C#N)c1)c1ccccc1 1653972378 CUZLPGWMDAFWCY-UTKZUKDTSA-N 322.452 4.719 30 20 DJED C[C@H](Cc1ccc(-c2ccccc2)cc1)NCC1(CC#N)CC1 1659634244 XXLMZRAMWJOLNX-QGZVFWFLSA-N 304.437 4.568 30 20 DJED CC(C)(C)[C@H]1CCC[C@@H](NC(=O)Nc2ccc(C#N)cc2)CC1 1666343388 SQGOMVXSCJKWQN-JKSUJKDBSA-N 313.445 4.675 30 20 DJED CCC(C)(C)c1ccc(NC(=O)NCc2cccc(C#N)c2)cc1 1677229822 KBSVIURJRYSPNK-UHFFFAOYSA-N 321.424 4.568 30 20 DJED CSc1ccc(/C=C2\CCOc3ccc(F)cc3C2=O)cc1 22756558 MJMCQPWCDQJFNM-JLHYYAGUSA-N 314.381 4.596 30 20 DJED CC(C)(C#N)c1ccc(Nc2ncnc3cc(Cl)ccc23)cc1 26724166 BGMSPEWOHNJSEP-UHFFFAOYSA-N 322.799 4.828 30 20 DJED CC(C)c1ccsc1C(=O)Nc1ccc(C#N)c(Cl)c1 48877464 LJBPQNCFZKQSHA-UHFFFAOYSA-N 304.802 4.649 30 20 DJED CC[C@@H](C)[C@@H](C(=O)Nc1cc(C#N)ccc1C)c1ccccc1 63960941 QVUUTMPHUWKAQT-AUUYWEPGSA-N 306.409 4.635 30 20 DJED O=C1/C(=C\c2cccs2)CSC/C1=C/c1cccs1 96766114 DYSNRSHLELANET-OXAWKVHCSA-N 304.461 4.593 30 20 DJED CC[C@@H](C#N)Oc1cccc(CNCc2c(C)cc(C)cc2C)c1 113961302 TXAMFSFHHOEFNE-IBGZPJMESA-N 322.452 4.583 30 20 DJED Cc1ccoc1C(=O)/C=C/c1csc(-c2ccsc2)n1 119024507 MIMDOSOTESDGAP-NSCUHMNNSA-N 301.392 4.669 30 20 DJED CCN(CCC#N)[C@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 156628927 OUUPRYGUEWVRDD-CYBMUJFWSA-N 317.820 4.600 30 20 DJED Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1cccnc1Cl 171350956 KDRVDYCPNSFOIX-BQYQJAHWSA-N 320.845 4.694 30 20 DJED CCC[C@@H](NCc1cc(C#N)ccc1F)c1ccc(F)cc1F 181657887 CGQKDLVDLCXAIL-GOSISDBHSA-N 318.342 4.607 30 20 DJED CCC[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 192999018 OCMVBZYTMXOVGD-JXFKEZNVSA-N 308.425 4.781 30 20 DJED COc1cc([C@H](C)Nc2ccc(C#N)cc2)ccc1OC(C)C 301081544 LDCSYBNCJNNROM-AWEZNQCLSA-N 310.397 4.527 30 20 DJED C=CCC[C@@H](N[C@@H](C)c1ncc[nH]1)c1ccc(C(F)(F)F)cc1 353616591 BNXLWUDDJSRSPM-SWLSCSKDSA-N 323.362 4.787 30 20 DJED C=CCN(C(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 428164408 WPJUWTKTKZPKJD-UHFFFAOYSA-N 323.289 4.677 30 20 DJED Cc1nc(N2CC3(CCC3)[C@H]2c2ccccc2)c(Cl)cc1C#N 432133495 MVVDFQMUPZDCCZ-QGZVFWFLSA-N 323.827 4.647 30 20 DJED COc1cccc(C2CCN([C@H](C)c3cccc(C#N)c3)CC2)c1 442675329 GDZQPPLRIQCFTI-MRXNPFEDSA-N 320.436 4.507 30 20 DJED CC1(C#N)CCC(NCc2nc3cc(Cl)ccc3s2)CC1 449100218 BJMMDJDAAPXKHH-UHFFFAOYSA-N 319.861 4.512 30 20 DJED C=CCC[C@H](C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccccc1 469253003 WFXOEVFGGULAOC-SLFFLAALSA-N 323.411 4.548 30 20 DJED C=CCCC1(C(=O)Nc2cc(OC)c(C(C)C)c(OC)c2)CC1 476637464 XMFQNPVIVOHOSJ-UHFFFAOYSA-N 317.429 4.512 30 20 DJED C=CCCCC(=O)Nc1ccc(Oc2ccccc2OC)cc1 479498392 CFSLJHNHGCJOQO-UHFFFAOYSA-N 311.381 4.782 30 20 DJED C=CCC1(C(=O)Nc2cc(C(F)(F)F)ccc2F)CCC1 480038319 KFAQARVZBCUFNJ-UHFFFAOYSA-N 301.283 4.529 30 20 DJED C=CCC[C@H](C(=O)Nc1nc(C2CC2)cs1)c1ccccc1 488620885 JUDYSUIMCMHZFC-HNNXBMFYSA-N 312.438 4.709 30 20 DJED Cc1cccc(CN(Cc2ccco2)CC(C)(C)CCC#N)c1 507186944 ATIMXMSAAIWCMB-UHFFFAOYSA-N 310.441 4.920 30 20 DJED C=C(C)CCc1noc(-c2cc(C3CC3)nc3ccc(F)cc23)n1 508684413 AXPOVNDPPUMZHR-UHFFFAOYSA-N 323.371 4.810 30 20 DJED CC[C@H](C)CN(CC)C(=O)c1sc2ccc(C#N)cc2c1C 517189975 IZZUWUYXJHDIQP-LBPRGKRZSA-N 314.454 4.590 30 20 DJED C=CCN(C(=O)c1ccc2ccc(Cl)cc2n1)c1ccccc1 530732991 JLZGVHVNEYFVRN-UHFFFAOYSA-N 322.795 4.721 30 20 DJED Cc1ccc([C@@H]2CCCCCN2Cc2cc(C#N)cs2)o1 537618131 OCSRPRRQFOVRBE-INIZCTEOSA-N 300.427 4.639 30 20 DJED C=CCCC[C@@H](C)NC(=O)c1ccc(OC2CCC2)cc1Cl 540527108 PVBFAMUCYQRPPC-CYBMUJFWSA-N 321.848 4.746 30 20 DJED C=CCC[C@@H](N[C@@H]1CCSC1)c1ccc(C(F)(F)F)cc1 541555445 FCQRNQJJEOTBPY-HUUCEWRRSA-N 315.404 4.808 30 20 DJED CC(C)(CCC#N)CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 558044903 VNIXNJGGBDVNPR-UHFFFAOYSA-N 319.405 4.514 30 20 DJED Cc1c(C(=O)N(C)[C@@H](C)C(C)(C)C)sc2ccc(C#N)cc12 577452781 HNOXMQDRJWAXAT-LBPRGKRZSA-N 314.454 4.588 30 20 DJED CC(C)(C)[C@H](NC(=O)CCCCCC#N)c1ccc(F)cc1F 588647173 ZNIOFSLBHWTNCN-QGZVFWFLSA-N 322.399 4.642 30 20 DJED C=C(C)CN(CC)C(=O)Nc1cc(Cl)c(C)c(Cl)c1 591503819 UPOSCIPKLMEIDB-UHFFFAOYSA-N 301.217 4.732 30 20 DJED CCC(C)(C)C1CCC(CC(=O)N2CCC[C@H](CC#N)C2)CC1 597902197 BRZPEJQAJKNYRV-LXPRWKDFSA-N 318.505 4.771 30 20 DJED Cc1cc(C)c(NN=Cc2csc(-c3ccccn3)n2)c(C)c1 743445451 VEBFIZUOZLONKL-UHFFFAOYSA-N 322.437 4.576 30 20 DJED CCCCCCCC(=O)Nc1ccccc1NCC(F)(F)F 744334596 OJQGXILGPRJXBW-UHFFFAOYSA-N 316.367 4.960 30 20 DJED CCCCCCCC(=O)N1CCC(c2cccc(OC)c2)CC1 748189380 LCIZVMRLVXVFKJ-UHFFFAOYSA-N 317.473 4.762 30 20 DJED C#CC[C@@H](NC(=S)Nc1ccc(C(C)C)cc1)c1ccccc1 756855310 IEVFRBBVGHFHAY-LJQANCHMSA-N 322.477 4.861 30 20 DJED C#CC[C@@H](NCc1cc(Cl)ccc1Cl)c1ccccc1 756995810 ANAYBTRWPICIQP-QGZVFWFLSA-N 304.220 4.848 30 20 DJED C#CC[C@@H](NCc1ncc(-c2ccccc2C)o1)c1ccccc1 775399354 CJNZEHDNGFEBII-LJQANCHMSA-N 316.404 4.504 30 20 DJED Clc1ccc([C@@H]2CCCC2=NNc2cccnn2)cc1Cl 776186909 YHUASSMDMXPZCW-NSHDSACASA-N 321.211 4.519 30 20 DJED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3=CCCCC3)n2)cc1 783076850 JUGDCQUZSIZYOB-MRXNPFEDSA-N 322.433 4.795 30 20 DJED Cc1c(C(=O)/C=C\c2cc(Cl)ccc2F)cnn1C(C)(C)C 787186369 ITSSPVJMBWYPPL-YVMONPNESA-N 320.795 4.635 30 20 DJED O=C(/C=C\c1ccc(OCC2CC2)cc1)c1cc(F)ccc1F 790210099 ICFCPAGVZLONTG-YHYXMXQVSA-N 314.331 4.650 30 20 DJED N#CC1(CNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 797580753 DLWRVHDFYGSRRY-UHFFFAOYSA-N 319.368 4.527 30 20 DJED C#CCOc1ccc(CNc2ccccc2NC(C)(C)C)cc1 798499861 DQPFNTDHSCJKQX-UHFFFAOYSA-N 308.425 4.521 30 20 DJED C[C@@H]1/C(=C/C=C\c2ccccc2[N+](=O)[O-])C(=O)c2ccccc21 809155675 CXBFGQNBEJVEMJ-BYNIKMFJSA-N 305.333 4.534 30 20 DJED C[C@@H]1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)c2ccccc21 809159520 QVKYGPUNGYFSST-WULZRQGASA-N 313.740 4.632 30 20 DJED CCCCCCCCCCC(=O)N1CCC2(CCCC2=O)CC1 856018972 DWGROXSEMSXANH-UHFFFAOYSA-N 321.505 4.879 30 20 DJED N#Cc1ccc(Oc2ccc(N=Cc3ccccc3O)cc2)cc1 920991266 QPUGHOJFUOFVJR-UHFFFAOYSA-N 314.344 4.807 30 20 DJED COc1ccc(C(=O)/C=C\c2cccc(OC(C)C)c2)cc1F 921265593 MODNHVDWKOFMKY-CLFYSBASSA-N 314.356 4.518 30 20 DJED Cc1c(C#N)cccc1C(=O)N1c2ccccc2[C@H](C)CC1(C)C 1127663387 IQUAJKQHAIZDSE-CQSZACIVSA-N 318.420 4.799 30 20 DJED C[C@@H](CC(=O)N(c1cccc(C#N)c1)C1CCC1)c1ccccc1 1130953293 WYWVEFZVARMYQV-INIZCTEOSA-N 318.420 4.638 30 20 DJED COc1ccc(C#N)cc1N[C@H]1C[C@H](C)Sc2sccc21 1180742024 UXMBCUXQWOQTEJ-GWCFXTLKSA-N 316.451 4.666 30 20 DJED CC1CCC(C)(CNc2nc(C(F)(F)F)ccc2C#N)CC1 1186352393 ZBXNXQMAGXCVAY-UHFFFAOYSA-N 311.351 4.600 30 20 DJED CC1(C)CN(Cc2ccc(CC#N)cc2)c2cccc(Cl)c21 1192043881 XHWIVXKEINOTSU-UHFFFAOYSA-N 310.828 4.704 30 20 DJED CC(C)CCn1c(NCc2cc(C#N)cs2)nc2ccccc21 1203536455 UOOTWHPJEQTEKM-UHFFFAOYSA-N 324.453 4.628 30 20 DJED C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3ccsc3C#N)c21 1289125889 YTPHIHKNHGZVRC-LLVKDONJSA-N 310.422 4.657 30 20 DJED Cc1c(C#N)c(S[C@H](C)c2cccc(F)c2)nc2c1CCC2 1307272336 MWYNPIMXKDUMQS-GFCCVEGCSA-N 312.413 4.743 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1ccc(C)c(Cl)c1F 1443563387 LBBRHQUZZXPBLQ-UHFFFAOYSA-N 324.827 4.580 30 20 DJED CC[C@@H](C)C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1460090114 XWKOZJQRUFZODY-CYBMUJFWSA-N 310.422 4.694 30 20 DJED Cc1c(Cl)cc(NC(=O)c2cc(C#N)ccc2F)cc1Cl 1528752645 OVZPGNDSTGVCHJ-UHFFFAOYSA-N 323.154 4.565 30 20 DJED C[C@H]1C[C@@H](CC(=O)Nc2cc(C#N)c(F)cc2F)CC(C)(C)C1 1532500009 WQNUHXYWECDYPL-RYUDHWBXSA-N 320.383 4.627 30 20 DJED Cc1ccc(NC(=O)c2ccc(C#N)cc2)cc1OCCC(C)C 1538693977 WSNVDTVFCJLPAZ-UHFFFAOYSA-N 322.408 4.544 30 20 DJED Cc1cccc(C2(CNCc3cc(C#N)cs3)CCCCC2)c1 1560272189 XXOGVUKAXKUHAS-UHFFFAOYSA-N 324.493 4.920 30 20 DJED C[C@H](CC(C)(C)C#N)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 1560839102 KJTFCIZBSMSUOT-BZNIZROVSA-N 308.828 4.848 30 20 DJED CC(C)(C)CN(Cc1ccccc1)Cc1ccc(CC#N)cc1 1615469946 RLIGJHOXUFRONV-UHFFFAOYSA-N 306.453 4.801 30 20 DJED Cc1cc(CN2CC3(CCC3)[C@H]2c2ccccc2)ccc1C#N 1621363641 PNJYAADKAMUNPN-HXUWFJFHSA-N 302.421 4.594 30 20 DJED CCC(CC)CN(CCC#N)C(=O)C[C@@H]1CCCCC1(C)C 1632936163 GIDQAKCXHCGLJV-KRWDZBQOSA-N 306.494 4.771 30 20 DJED Cc1ccc(C(=O)[C@H](C)Sc2ccc(C#N)c(C)c2)cc1C 1652058260 GXWOQUQJTISNRN-HNNXBMFYSA-N 309.434 4.847 30 20 DJED CC(C)(CC#N)CNCc1ccc(-c2ccc(F)cc2)s1 1657511901 OXZHNWYTCJPVBQ-UHFFFAOYSA-N 302.418 4.584 30 20 DJED CCOc1ccc(C#N)cc1N[C@@H]1CCC[C@@H](CC(C)C)C1 1657712982 KNUGWCXNFVFJFE-DOTOQJQBSA-N 300.446 4.974 30 20 DJED Cc1ccccc1COC(=O)N(CC(C)C)c1ccc(C#N)cc1 1661096044 DYTWTUNIYHRMGA-UHFFFAOYSA-N 322.408 4.666 30 20 DJED C[C@@H](C#N)Oc1ccccc1NC1CC(C)(C)CC(C)(C)C1 1663987978 GGGYUNBMTBSOJQ-AWEZNQCLSA-N 300.446 4.994 30 20 DJED C[C@H](CCC#N)CN[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 1665031976 MLCGBHMTYKRLEI-HFTRVMKXSA-N 304.865 4.896 30 20 DJED CCCCc1ccc(C(C)=NNc2cccc(C(=O)O)c2C)cc1 1776086424 TVSUUZJXKCASJQ-UHFFFAOYSA-N 324.424 4.872 30 20 DJED CC[C@H](C)c1ccc(C(=O)/C=C/c2cc(C(=O)O)c(C)o2)cc1 1776700030 PIODWQXLYSXBFK-VMPCVLLUSA-N 312.365 4.696 30 20 DJED N#Cc1ccccc1CNc1cc(Br)ccc1Cl 61691453 OBIUTDSOQFOHSZ-UHFFFAOYSA-N 321.605 4.586 30 20 DJED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cnc2ccsc2c1 90665110 WJCDIJVDPNOMOM-PBHICJAKSA-N 321.449 4.992 30 20 DJED O=C(/C=C\c1cccnc1)c1cccc(OCc2ccccc2)c1 98054942 OFVALDIYSUXRLG-QXMHVHEDSA-N 315.372 4.557 30 20 DJED C=C[C@@H](CC(=O)Nc1ccccc1N1CCCC1)c1ccccc1 129111373 FYTPOOFZTDFHDR-KRWDZBQOSA-N 320.436 4.585 30 20 DJED C=CCCCC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 177841873 OSLGPXIKJJHHJS-UHFFFAOYSA-N 305.381 4.525 30 20 DJED CCCNc1ccc(CN[C@H](CC)c2ccc(C#N)cc2)cc1 278735769 NBWISHBUWZQRNU-HXUWFJFHSA-N 307.441 4.621 30 20 DJED Cc1cnc([C@@H](Nc2ccc(C#N)c(Cl)c2)C2CC2)s1 301571439 LAHFSZJBANLEIM-AWEZNQCLSA-N 303.818 4.540 30 20 DJED CC(C)CCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 325111023 FIYISQMGLVLWCT-KRWDZBQOSA-N 322.452 4.834 30 20 DJED Cc1ccccc1-c1noc(C)c1/C(O)=N/[C@H]1CC12CCCCC2 330016042 OZJJBXOSQRNWHE-INIZCTEOSA-N 324.424 4.986 30 20 DJED CC(C)c1ccsc1/C(O)=N/[C@@H](C)c1nc(C(C)(C)C)no1 330930761 QQUATXXOWNIRCK-JTQLQIEISA-N 321.446 4.618 30 20 DJED C[C@H]1CC[C@@H](NC2(c3cccc(C#N)c3)CC2)c2ccccc21 342801777 YKGOMRMFBMHXJE-MGPUTAFESA-N 302.421 4.776 30 20 DJED CCCCCCCCNC(=O)c1cscc1Br 404890746 LMZQTBMXTJXBGF-UHFFFAOYSA-N 318.280 4.601 30 20 DJED Cc1ccccc1[C@@H](C)CC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425119876 AETQOGDZKCRJJZ-DLBZAZTESA-N 320.436 4.580 30 20 DJED C=CCC(C)(C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 429927096 RBJMHGACBMZZKM-SNVBAGLBSA-N 300.229 4.773 30 20 DJED C=CCC(CC=C)C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C 437047240 POUMMZBAGULEHF-UHFFFAOYSA-N 323.440 4.504 30 20 DJED Cc1ccc(-c2ccc(C)c(NC(=O)c3cc(C#N)oc3C)c2)o1 437195468 RFLZKVSDSQLNNH-UHFFFAOYSA-N 320.348 4.589 30 20 DJED C[C@H](Sc1ccc(C(F)(F)F)cn1)c1cccc(C#N)c1 442916595 ZIAKZIAUODEXBK-JTQLQIEISA-N 308.328 4.825 30 20 DJED C=CCC1(c2nc([C@H](OCC)c3ccccc3)no2)CCCC1 453166221 NQAPFJKCLUTOKH-MRXNPFEDSA-N 312.413 4.583 30 20 DJED C=C[C@@H]1OCC[C@H]1c1nc(C2CCC(c3ccccc3)CC2)no1 453195529 KOUNEPFMHWPDKG-HIEASXQVSA-N 324.424 4.570 30 20 DJED C=CCSc1ccccc1C(=O)Nc1scnc1C(C)C 456440674 PXLWYMYFEUEGNF-UHFFFAOYSA-N 318.467 4.797 30 20 DJED N#C[C@H]1CCC[C@@H](Nc2cccc(OCc3ccc(F)cc3)c2)C1 463276848 BIOAYEBFQPUSRC-FUHWJXTLSA-N 324.399 4.899 30 20 DJED Cc1csc(NC(=O)CCCc2ccccc2Cl)c1C#N 464581979 SQWDTRJELZYBBX-UHFFFAOYSA-N 318.829 4.543 30 20 DJED CC(C)(C#N)c1ccc(C(=O)N2CCC[C@H]2C2CCCCC2)cc1 474960515 AEBACCFIFCTWLU-IBGZPJMESA-N 324.468 4.673 30 20 DJED C=CCN(C(=O)[C@H](C)C(C)C)c1nc(-c2ccccc2)cs1 497531336 CXJCTUGOJHIWPN-CQSZACIVSA-N 314.454 4.621 30 20 DJED CC[C@H](C)CCC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 510356963 UZBLPYPETFGWJK-GWCFXTLKSA-N 313.228 4.501 30 20 DJED CCCc1nc(CSCc2ccc(C#N)cc2F)cs1 511027951 LLMLBFHFPJPPQF-UHFFFAOYSA-N 306.431 4.540 30 20 DJED C=CCN(Cc1ccccc1)C(=O)NC[C@H](CC)c1ccccc1 520047277 QAYFSRIQHZCNOC-IBGZPJMESA-N 322.452 4.578 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C[C@H]1CCC[C@H](C)C1 523364069 POWPQWOKZHRWDX-LPHOPBHVSA-N 312.457 4.512 30 20 DJED COc1cc(CSc2ccc(C#N)cc2F)ccc1SC 525629705 JALKARBINKMNBJ-UHFFFAOYSA-N 319.426 4.720 30 20 DJED C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H](C)c2ccc3ccccc3c2)C1 531236970 ITCJAKJWQYOYNH-ZOCZFRKYSA-N 320.436 4.532 30 20 DJED C=C[C@H](CC(=O)N[C@@H]1CCCC[C@@H]1SCC)c1ccccc1 535376531 OVBIKHDRJPGYTQ-NXHRZFHOSA-N 317.498 4.527 30 20 DJED CC(C)(C)[C@H](NCc1cc(C#N)ccc1F)c1cccc(F)c1 537123630 AMILUNVRGROITK-GOSISDBHSA-N 314.379 4.713 30 20 DJED C[C@H]1CCC[C@@H](c2noc(CSc3ccc(C#N)cc3)n2)C1 544228515 GKLITPMHDBNTBL-GXTWGEPZSA-N 313.426 4.527 30 20 DJED C=CCC(C)(C)c1noc(-c2ccc(Cl)c3ncccc23)n1 556361625 HUYWAKDKMNIKJC-UHFFFAOYSA-N 313.788 4.792 30 20 DJED CC(C)(CCC#N)CNCc1ccc(Cl)c(C(F)(F)F)c1 573477824 JYZYCFUWSDCBPQ-UHFFFAOYSA-N 318.770 4.778 30 20 DJED Cc1c([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)oc2ccccc12 581459033 YHCWHDFIXLBNMY-KUHUBIRLSA-N 316.404 4.951 30 20 DJED N#CCCCCCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 588371766 OCLNBMFPHCRZDO-GOSISDBHSA-N 318.848 4.771 30 20 DJED C=CCCCN(C)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 605645006 KZGLGLHNUWBYIU-CHWSQXEVSA-N 312.240 4.522 30 20 DJED Cc1cc(F)ccc1NC(=O)c1c(Cl)cc(C#N)cc1Cl 611093295 VYXIXGROJFBIAP-UHFFFAOYSA-N 323.154 4.565 30 20 DJED C[C@H](CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)CC(C)(C)C 611247136 HUVGAVXSRLDHBM-MRXNPFEDSA-N 324.468 4.636 30 20 DJED CSCc1cccc(N[C@@H]2CCCc3cc(C#N)ccc32)c1 611482729 YPEYYQNHBCYHAN-LJQANCHMSA-N 308.450 4.911 30 20 DJED CC[C@H](NCc1ccc(C#N)cc1C)c1ccc(Cl)s1 614405688 CHHRKTNIYSHQMY-AWEZNQCLSA-N 304.846 4.823 30 20 DJED C=CCC[C@@H](C(=O)NCC(=C)c1ccccc1)c1ccccc1 672480674 CPAUFYCAQSIFGX-HXUWFJFHSA-N 305.421 4.566 30 20 DJED Cc1cccc(-c2n[nH]cc2/C=C/C(=O)c2ccc(F)cc2F)c1 728786386 VSZZAEGXHYYGPF-VMPITWQZSA-N 324.330 4.559 30 20 DJED CC/C=C(/C)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 729888592 LOAYLCROGAYGSQ-XNISGLLXSA-N 310.422 4.651 30 20 DJED N#C[C@@H](C(=O)CCC1CCCC1)c1nc2cc(F)ccc2s1 730417120 KYEGREYEOQDDRN-ZDUSSCGKSA-N 316.401 4.582 30 20 DJED CCCCCCC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 731644301 PXXQEGGWUAVIIX-AWEZNQCLSA-N 313.228 4.645 30 20 DJED Cc1ccc(-c2ccc(C(=O)O[C@@H](C)CC#N)c(F)c2)cc1C 733708111 LMTVLJKJFNRCST-AWEZNQCLSA-N 311.356 4.569 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C\c3ccc(C)c(F)c3)c2c1 734306912 IVMFOIUYCVQHPH-YVMONPNESA-N 309.340 4.520 30 20 DJED CC/C=C(\C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 742964180 ZKFFMYDDSMBUMO-AWNIVKPZSA-N 324.355 4.784 30 20 DJED Cc1c(Cl)cccc1N=C1NN=C(C2CCCC2)CS1 743277711 SQRCZADACJIILZ-UHFFFAOYSA-N 307.850 4.519 30 20 DJED CCCCCCC[C@H](C)CNC(=O)N(C)[C@H](C)c1cccnc1 744280010 AEZZFFBJKMENFM-DLBZAZTESA-N 319.493 4.781 30 20 DJED O=C(/C=C/c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 745989809 AKBWKPIYTQQVFX-XCVCLJGOSA-N 303.336 4.784 30 20 DJED CC(=NNc1nc(C(F)(F)F)cs1)[C@H](C)c1ccccc1 755903268 INBSYXFSFKBSQG-VIFPVBQESA-N 313.348 4.753 30 20 DJED CCCOc1c(Cl)cc(/C=C/C(=O)c2ccco2)cc1OC 769772371 YJQLRBPCEIOOAN-VOTSOKGWSA-N 320.772 4.627 30 20 DJED C#CC[C@@H](N[C@H](C)c1ccc(N(C)CC)cc1)c1ccccc1 773113800 DZNNTUCPKQJORG-DYESRHJHSA-N 306.453 4.558 30 20 DJED CCCCCCCC[C@H](C)CC(=O)NC1(C#N)CCSCC1 775492567 QJXCCPORTCPAQT-INIZCTEOSA-N 324.534 4.669 30 20 DJED CC(=NOCCC(F)(F)F)c1ccc(OC(C)(C)C)cc1 777461214 WMQLYEKANFNMTE-UHFFFAOYSA-N 303.324 4.557 30 20 DJED CC(C)(C#N)CCCOC(=O)c1cc2ccc(F)cc2s1 782540705 NSCSVBAUNTXFBZ-UHFFFAOYSA-N 305.374 4.527 30 20 DJED CCC/C=C\C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782829163 OBUFZTOWRQSAOV-GEZBDVBVSA-N 318.420 4.759 30 20 DJED CCCCCCCC(C)=NNc1nnc(-c2ccccn2)s1 788030166 LQYVOBYUEPPOHW-UHFFFAOYSA-N 317.462 4.748 30 20 DJED C#CCCCCCC(=O)N1CCC(c2cccc(Cl)c2)CC1 794276532 BCZAYYNUWUMNRI-UHFFFAOYSA-N 317.860 4.630 30 20 DJED C=CCCCCCCNC(=O)N(Cc1cccs1)C1CC1 807571853 QYWODLFAIRZQOF-UHFFFAOYSA-N 306.475 4.559 30 20 DJED CC(=NNc1ccc(Cl)cc1)c1cnn(-c2ccccc2)c1C 818196754 ZLLDGWCUVCAZBT-UHFFFAOYSA-N 324.815 4.670 30 20 DJED COc1cc(CNc2cccc(C(F)(F)F)c2C)ccc1C#N 864024895 JAQPDWGLRTXCFZ-UHFFFAOYSA-N 320.314 4.506 30 20 DJED CCc1cccc2c(/C=C/C(=O)c3cccc(OC)c3)c[nH]c12 916137153 JCIAQAIMLFPBOQ-ZHACJKMWSA-N 305.377 4.635 30 20 DJED CCC(=NNc1nc(C)cc(C)n1)c1ccc(Cl)c(Cl)c1 916241746 HYPCMWLQXYDZLE-UHFFFAOYSA-N 323.227 4.626 30 20 DJED N#Cc1c(NC(=O)C=C2CCCC2)sc2c1CCCCCC2 917782794 BSRDYRLJOCBMKS-UHFFFAOYSA-N 314.454 4.718 30 20 DJED Cc1ccc([C@@H](C)/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)s1 920175234 UDWZYZRYIZHMHU-UHDDOIDHSA-N 324.789 4.504 30 20 DJED CC(=NN[C@@H](C)c1ccccc1)c1sccc1Br 920382637 KFRACLPIQVYFJR-JTQLQIEISA-N 323.259 4.585 30 20 DJED C[C@@H](CC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1)C1CC1 920719102 FNMUTVVVTSXJKI-AWEZNQCLSA-N 305.377 4.567 30 20 DJED C=CCCO[C@H](C)C(=O)OCc1sc2ccccc2c1Cl 921146560 AISSTNUFHAEUMI-LLVKDONJSA-N 324.829 4.579 30 20 DJED Cc1ccc(C2(C(=O)O[C@H](C)c3ccc(C#N)cc3)CCC2)cc1 1126638476 ZMFXNHMVRBVYPD-MRXNPFEDSA-N 319.404 4.593 30 20 DJED CC(C)c1ccc(CCC(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1 1126713398 ZACMEMOSYALQHA-INIZCTEOSA-N 321.420 4.919 30 20 DJED CC(C)(C)c1ccc([C@@H]2CCCN2c2ccnc(C#N)c2)cc1 1162190121 PEZWACBIECPAEM-IBGZPJMESA-N 305.425 4.592 30 20 DJED Cc1ccccc1[C@@H](Nc1nc(C#N)c(Cl)s1)C1CC1 1185346876 QCNLFANFOWWGBC-ZDUSSCGKSA-N 303.818 4.540 30 20 DJED Cc1ccc(COc2c(C#N)cnc3ccc(C)cc23)c(Cl)c1 1307347999 BYMVIBNVNXZIGI-UHFFFAOYSA-N 322.795 4.956 30 20 DJED C[C@@H]1Sc2ccccc2N(Cc2cccc(C#N)c2F)[C@H]1C 1307548816 MPQYXFCWUADMPJ-STQMWFEESA-N 312.413 4.587 30 20 DJED CC[C@H](C)N(CC)C(=O)Nc1ccccc1SC[C@H](C)C#N 1333196702 WPZBOAJQRGRSOF-KGLIPLIRSA-N 319.474 4.591 30 20 DJED CC1(C)[C@H](C(F)(F)F)CCN1CCCCC1(C#N)CCC1 1341321999 CNODPMZBPRAQBH-CYBMUJFWSA-N 302.384 4.513 30 20 DJED CCC[C@H](CC(C)C)C(=O)N(C)[C@H](C#N)c1ccc(CC)cc1 1436561660 YMELLWWPJSKLOV-RTBURBONSA-N 314.473 4.734 30 20 DJED Cc1c(C#N)cccc1NC(=O)CCc1cccc2ccccc12 1457716104 ZDFHMNZIKMKPSV-UHFFFAOYSA-N 314.388 4.591 30 20 DJED CC(C)Cc1ccc(CC(=O)O[C@@H](C)c2cccc(C#N)c2)cc1 1457755899 SSXPSFZLYMRIBZ-INIZCTEOSA-N 321.420 4.604 30 20 DJED N#Cc1ccc(CNC[C@@H]2CCCC[C@H]2c2ccccc2)cc1 1461510420 FSDGNGPFILPBTP-SFTDATJTSA-N 304.437 4.622 30 20 DJED CCCCN(C(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[C@@H](C)C1 1464910625 KTCFXQISVPOYCL-CRAIPNDOSA-N 313.445 4.771 30 20 DJED C[C@@]1(c2ccccc2)CCCN(c2cccc(F)c2C#N)CC1 1472780510 IRTWJTYXDDHFEW-HXUWFJFHSA-N 308.400 4.646 30 20 DJED CCCc1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)s1 1474320218 ZYKYYSODRXLJNR-UHFFFAOYSA-N 312.482 4.983 30 20 DJED CCC(C)(C)C1CCC(Nc2cc(C#N)ccc2OC)CC1 1474430682 LZEDIOKTEUPWIP-UHFFFAOYSA-N 300.446 4.974 30 20 DJED CC[C@@H]1CCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1523648288 DDTXXMPIHCZXGX-UPJWGTAASA-N 316.470 4.509 30 20 DJED N#Cc1ccc(F)c(C(=O)Nc2ccccc2-c2cccs2)c1 1523942912 DAHOJAVTFAAZAQ-UHFFFAOYSA-N 322.364 4.678 30 20 DJED Cc1ccc(F)cc1[C@@H](C)OC(=O)CC1(C#N)CCCCC1 1537555212 ONFCQDYMAVBZLN-CQSZACIVSA-N 303.377 4.603 30 20 DJED CC(C)(C)c1cccc(C(=O)Nc2ccc(Cl)cc2C#N)c1 1538947729 QOSRGHJXIMXCIT-UHFFFAOYSA-N 312.800 4.761 30 20 DJED CCc1ccc([C@H](C)CC(=O)Nc2cccc(C#N)c2C)cc1 1544114596 PGEBFRRVVZVVPV-CQSZACIVSA-N 306.409 4.561 30 20 DJED N#Cc1ccc(CN2CCC[C@@H]2CCC2CCCCC2)s1 1559652585 OXBUKKSRTHNCLN-MRXNPFEDSA-N 302.487 4.945 30 20 DJED CC(C)C[C@H](Nc1nc(C#N)c(Cl)s1)c1ccccc1 1641986242 CWDXNOMIQIOOBL-LBPRGKRZSA-N 305.834 4.867 30 20 DJED COc1ccccc1[C@@H]1CC[C@H](C)CN1Cc1cccc(C#N)c1 1645588706 DYVGRAMMMXCCAS-JXFKEZNVSA-N 320.436 4.540 30 20 DJED C[C@@H](NCCc1ccc2ccccc2c1)c1ccc(C#N)cc1 1645614059 HHERVWPUESOOER-MRXNPFEDSA-N 300.405 4.605 30 20 DJED CC[C@@H](CSc1nc(C(F)(F)F)ccc1C#N)CC(F)F 1651933669 ILYNQSXJBIYAKM-MRVPVSSYSA-N 324.318 4.746 30 20 DJED CC[C@]1(C)CCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 1653784529 FURBNZGCBQFNMI-OAQYLSRUSA-N 304.437 4.847 30 20 DJED C[C@H]1C[C@H](c2ccccc2)CN1Cc1ccccc1C(C)(C)C#N 1657320599 IBBCDBMGDOMACM-PXNSSMCTSA-N 318.464 4.866 30 20 DJED C[C@H](c1cccc(C#N)c1)N1CC[C@@H](Cc2ccccc2)[C@H]1C 1657522896 HBISNKPOROHZIS-LZJOCLMNSA-N 304.437 4.572 30 20 DJED N#C[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)C1 1664987291 KNFICHMNHZIIBG-UWIFEVILSA-N 302.849 4.648 30 20 DJED Cc1c(NN=Cc2ccc3ccccc3c2C)cccc1C(=O)O 1776090165 WWGGCSBPKJHEDW-UHFFFAOYSA-N 318.376 4.601 30 20 DJED C[C@@H]1C(=Nn2c3ccccc3c3ccccc32)CC[C@@H]1CC(=O)O 1776112647 FHFCNPPJMVPRJG-UONOGXRCSA-N 320.392 4.519 30 20 DJED Cc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c(C)o1 77687500 VOQDWQRJQCHZAQ-UHFFFAOYSA-N 322.389 4.749 30 20 DJED Cc1ccc(-c2ncco2)cc1N[C@@H](C)c1ccc(C#N)cc1 133181224 AUDZGLXELNPWJK-AWEZNQCLSA-N 303.365 4.695 30 20 DJED CCCCCCCC(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 145555349 VXJRACCTQDDAGK-UYAOXDASSA-N 317.473 4.631 30 20 DJED CO[C@H](C)c1nc(CS[C@@H](C)c2ccc(C#N)cc2)cs1 177853259 MPQWADMDVSQRGM-NEPJUHHUSA-N 318.467 4.717 30 20 DJED C=C(C)[C@H](N[C@H](C)c1cccc(O)c1)c1ccc(F)c(F)c1 194962999 RHGPESJYAQSCJB-XIKOKIGWSA-N 303.352 4.638 30 20 DJED C[C@@H](CCNc1cccc(OCCCC#N)c1)c1ccccc1 237571500 MVNKNKXDSXBFFL-KRWDZBQOSA-N 308.425 4.975 30 20 DJED C=CCN(C(=O)[C@H](C)CCC)c1nc(-c2ccccc2)cs1 248296482 XOJDJIAEVMQLEH-CQSZACIVSA-N 314.454 4.765 30 20 DJED C=CCC[C@H](Nc1cccc(NC(=O)C2CC2)c1)c1ccco1 278479541 AMTAQCGTUOFNDQ-KRWDZBQOSA-N 310.397 4.748 30 20 DJED Cc1coc(C)c1C(=O)Nc1ccccc1S[C@H](C)CC#N 284078835 SGWRIVBDKMTIMO-GFCCVEGCSA-N 314.410 4.543 30 20 DJED CC(C)(C)c1ccc([C@H]2CCCN2c2ncccc2C#N)cc1 301060945 DMAMVRMPJPOLEC-GOSISDBHSA-N 305.425 4.592 30 20 DJED CC1(C)C(O)=Nc2cc(/C(O)=N/C[C@H]3CCCC3(C)C)ccc21 329363048 DBZPHMWDAFEXFC-CYBMUJFWSA-N 314.429 4.697 30 20 DJED C[C@H]1C[C@@H](C(O)=Nc2nc3cc(Cl)ccc3s2)CCC1=O 329368019 JBGNPYRSQVGSPQ-IUCAKERBSA-N 322.817 4.543 30 20 DJED Cc1coc(C)c1/C(O)=N/[C@H](C)c1nc(C(C)(C)C)cs1 330484193 WRQBEAKFPPPMEK-SNVBAGLBSA-N 306.431 4.716 30 20 DJED CC[C@@H](NCc1ccc(CSC)cc1)c1ccc(C#N)cc1 353949084 ZMHRAFRSSMVTKB-LJQANCHMSA-N 310.466 4.662 30 20 DJED CC[C@@H](C)c1ccc(NC(=O)CSCC2(C#N)CCC2)cc1 419576475 FYECVIWCZAHOSI-CQSZACIVSA-N 316.470 4.566 30 20 DJED N#C[C@@H](CCc1ccccc1)C(=O)Nc1cccc2ccccc12 433227552 RXWBQYQSXHEDJF-GOSISDBHSA-N 314.388 4.551 30 20 DJED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(Cl)cc1Cl 435664740 NQWFEYZRYISYAX-MKBNYLNASA-N 314.256 4.625 30 20 DJED C[C@H](NC1CCC(C)(C#N)CC1)c1cc2cccc(F)c2o1 449280730 YHZLWSSFBSUZRC-DTVQEZCTSA-N 300.377 4.695 30 20 DJED C=C(C)CN(CC)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C 466153679 RBVHJIFWHVQMFM-RRQGHBQHSA-N 320.864 4.645 30 20 DJED CC(C)(C#N)CC(=O)Nc1ccc(Cl)cc1-c1ccccc1 469814045 MYXUFVOYXQUYGZ-UHFFFAOYSA-N 312.800 4.885 30 20 DJED CC(C)c1cccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1 474191865 ANCYYSLVEJWBFW-UHFFFAOYSA-N 306.409 4.863 30 20 DJED CC(C)CCn1ncc(NCc2ccc(C#N)cc2)c1C(C)C 486871336 GUELCQLLRWXMDZ-UHFFFAOYSA-N 310.445 4.536 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCC[C@H]1c1ccccc1 487393372 IEGXXMKNGPHUPM-FQEVSTJZSA-N 304.437 4.825 30 20 DJED CCN(C(=O)[C@H](C)CC1CCCC1)[C@H](C)c1ccc(C#N)cc1 510304628 CYZVGILLWCOMIB-HZPDHXFCSA-N 312.457 4.684 30 20 DJED N#Cc1ccccc1SCc1ccccc1Br 525083801 ZMWPUXQAOSLKJW-UHFFFAOYSA-N 304.212 4.613 30 20 DJED C=CCN1CCC(N[C@@H](CC(C)(C)C)c2ccc(F)cc2)CC1 537296940 ZIOMRWNNXSJOHQ-IBGZPJMESA-N 318.480 4.543 30 20 DJED C=CCC(F)(F)c1nc([C@H](c2ccccc2C)C(C)C)no1 559998986 IULNIFLWVAURBU-AWEZNQCLSA-N 306.356 4.834 30 20 DJED C[C@@H](Sc1ccc(C#N)cc1)c1nccn1-c1ccccc1 561442000 XYGCFWXRQSAGEF-CQSZACIVSA-N 305.406 4.597 30 20 DJED Cc1cccc2[nH]c(CN(C)[C@H](C)c3cccc(C#N)c3)cc12 597156894 CMGPSQXEYVLFDT-OAHLLOKOSA-N 303.409 4.541 30 20 DJED C=C(C)CN(CC)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl 599487582 YAVPSAMVZJUGJO-STQMWFEESA-N 312.240 4.522 30 20 DJED Cc1nc(-c2ccccc2)sc1[C@H](C)NC[C@@H](C)CCC#N 602536245 SFFUSEPGUPDUIH-KBPBESRZSA-N 313.470 4.709 30 20 DJED C=C(C)CN(CC)C(=O)NCC1(c2cccs2)CCCCC1 606983183 SFWNCVFPUDBJGR-UHFFFAOYSA-N 320.502 4.558 30 20 DJED CC[C@@H](c1ccccc1)N(CC(C)C)C(=O)c1ccc(C#N)cc1 609509797 TXUJPMGCMQIGKW-FQEVSTJZSA-N 320.436 4.808 30 20 DJED Cc1ccc(CN(Cc2ccccc2C(C)(C)C#N)C2CC2)o1 610859187 JTBLTJNBEMKTLX-UHFFFAOYSA-N 308.425 4.554 30 20 DJED CCN(C[C@@H]1CCOc2ccccc21)[C@H](C)c1ccc(C#N)cc1 611256351 VORACHFOJZFLDU-APWZRJJASA-N 320.436 4.507 30 20 DJED C=C(C)CN(CC)C(=O)N[C@H](c1ccc(Cl)cc1)C(C)C 612299776 WOIVNNFPCSDFOS-INIZCTEOSA-N 308.853 4.645 30 20 DJED C[C@H](NCc1csc(Cl)c1Cl)c1cccc(C#N)c1 617791941 MHWXRQPINAPLGK-VIFPVBQESA-N 311.237 4.777 30 20 DJED N#Cc1cc(NC(=O)/C=C/c2ccc(Cl)s2)ccc1Cl 706306480 IGDXWHPJQSYNTA-ZZXKWVIFSA-N 323.204 4.578 30 20 DJED C#Cc1cccc(NC(=S)N2CCC[C@@H]2c2ccc(C)cc2)c1 726459504 OZMFJWGPDAIFAO-LJQANCHMSA-N 320.461 4.510 30 20 DJED C=CCCO[C@H](C)C(=O)Oc1ccc([C@@H](C)c2ccccc2)cc1 728853011 UJIHIVGZSOTZRV-DLBZAZTESA-N 324.420 4.725 30 20 DJED CCCCCCCCCC(=O)N[C@@H]1CCc2c(O)cccc21 732285275 ABOOZBYSAJPIAF-QGZVFWFLSA-N 303.446 4.636 30 20 DJED CC(=NNc1cnnc2ccccc12)C(C)(C)c1ccc(F)cc1 734979361 OFOQIBHZICRTLR-UHFFFAOYSA-N 322.387 4.535 30 20 DJED CC(=NNc1cccc(C(F)(F)F)n1)c1cc(C)c(C)cc1C 739421593 LNRRGISQQXEILL-UHFFFAOYSA-N 321.346 4.862 30 20 DJED CCCCCCCC(=O)c1ccc(OCC2(C)COC2)cc1 742349025 RHWRXPPXCFRXMS-UHFFFAOYSA-N 304.430 4.645 30 20 DJED COc1ccc(/C=C/C(=O)c2c[nH]c3cc(F)ccc23)cc1C 749451553 GFYMVMWGOAXYDY-XVNBXDOJSA-N 309.340 4.520 30 20 DJED N#Cc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)s1 750689891 MWXBIBLHJYLLSZ-UHFFFAOYSA-N 319.385 4.566 30 20 DJED CC(C)n1c(-c2ccc(O[C@H](C)C#N)cc2)nc2ccccc21 758455103 RWQKQGBODVABSY-CQSZACIVSA-N 305.381 4.575 30 20 DJED C#CCOc1ccc([C@H](C)N[C@H](c2cccs2)C2CC2)cc1 764741055 CLKGVUPRFVIOQK-LIRRHRJNSA-N 311.450 4.562 30 20 DJED C=CC[C@H](N[C@H](C)c1ccc(SC)c(F)c1)c1ccncc1 766017391 BBFRCLVKAMBWCA-DYVFJYSZSA-N 316.445 4.911 30 20 DJED CC(=NNc1cc(Cl)ccn1)c1cccc(C(F)(F)F)c1 777906167 FYCYTBLWJPFGAW-UHFFFAOYSA-N 313.710 4.590 30 20 DJED COc1cc(NN=Cc2cnc(C3CCC3)s2)ccc1Cl 788468724 XKLTXTXGOKWCFV-UHFFFAOYSA-N 321.833 4.519 30 20 DJED Cc1ccccc1[C@H](C)OC(=O)C[C@H](CC#N)c1ccccc1 795994562 XTKSBTIRTFDMGV-WMZOPIPTSA-N 307.393 4.687 30 20 DJED Oc1ccc(C2CCC(=NOCc3ccc(F)cc3)CC2)cc1 814903261 ANOIPEORMQDJIF-UHFFFAOYSA-N 313.372 4.762 30 20 DJED CC1(C)C[C@H](NN=C2CCCC[C@@H]2C2=CCCCC2)CCO1 814910415 UTXAAOLEXRUQKM-IAGOWNOFSA-N 304.478 4.580 30 20 DJED CC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1O 841761723 KHGLICOCFZZUSE-OALUTQOASA-N 324.399 4.521 30 20 DJED N#CCOc1ccc(-c2nc3cc(Cl)ccc3n2C2CC2)cc1 916856341 NPLFNVYZTDDJAA-UHFFFAOYSA-N 323.783 4.594 30 20 DJED N#CC1(CCN2CCC[C@H]2CCc2ccccc2)CCCCC1 1167072819 UQBUOGLLDSWXJZ-FQEVSTJZSA-N 310.485 4.948 30 20 DJED CC[C@H](c1ccccc1)N(Cc1cc(C#N)ccn1)CC(C)C 1167867016 DIWJBPXFCVGEFL-HXUWFJFHSA-N 307.441 4.563 30 20 DJED N#Cc1c(F)cccc1Sc1nc(C2CCCCC2)ns1 1307154316 WFXHILUZNFMUJW-UHFFFAOYSA-N 319.430 4.748 30 20 DJED N#CCOc1ccc(COc2c(Cl)ccc3ccccc23)cc1 1307384601 KUTGTFNLDOMIRV-UHFFFAOYSA-N 323.779 4.975 30 20 DJED CCC1(CC)CN(Cc2ccc(F)cc2C#N)c2ccccc21 1307596173 DIIUBNOBYVPIEE-UHFFFAOYSA-N 308.400 4.775 30 20 DJED Cc1ccccc1[C@@H](C)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 1342739815 AWBAYUUSVCBLKR-UKRRQHHQSA-N 312.438 4.555 30 20 DJED N#Cc1ccc(NC(=O)C2(C3CCCCC3)CC2)cc1Cl 1352434521 JGPQWALMOMTDOT-UHFFFAOYSA-N 302.805 4.511 30 20 DJED CC1(C)CN(CCC2(C#N)CCCCC2)[C@H]1c1cccs1 1460195856 IZCJVIRADPZKNO-INIZCTEOSA-N 302.487 4.995 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N1C[C@H](C(C)C)c2ccccc21 1476231673 CSDRZEMQZVTSTC-QGZVFWFLSA-N 319.408 4.658 30 20 DJED CCC[C@H](CC(C)C)C(=O)Nc1cc(C#N)ccc1OC(C)C 1518644171 TWPGRPGXBYHASP-MRXNPFEDSA-N 316.445 4.746 30 20 DJED CC1(C)CCCC[C@@H]1CC(=O)N[C@H](CCC#N)c1ccccc1 1519311366 BEDMWMHBSAHHBC-QZTJIDSGSA-N 312.457 4.754 30 20 DJED CC(C)(C)Cc1ccccc1C(=O)Nc1cccc(CC#N)c1 1587609361 KEEASDALAGZDGR-UHFFFAOYSA-N 306.409 4.594 30 20 DJED Cc1nc(N(C)Cc2cccc3ccccc23)c(Cl)cc1C#N 1642092138 TYENCMSNIFQQGH-UHFFFAOYSA-N 321.811 4.705 30 20 DJED C[C@H](C#N)CN(Cc1ccc(Oc2ccccc2)c(F)c1)C1CC1 1642560368 SMACFYWLGAJEQR-OAHLLOKOSA-N 324.399 4.742 30 20 DJED Cc1nc(N[C@H]2c3ccccc3CC[C@H]2C)c(Cl)cc1C#N 1650911850 BBSLLJYTBCWWTG-PIGZYNQJSA-N 311.816 4.651 30 20 DJED C[C@@H]1CCC[C@H](COc2ccc(Br)c(C#N)c2)C1 1652243340 RLQJEXDPPFECMV-NEPJUHHUSA-N 308.219 4.526 30 20 DJED CCCN(Cc1ccc(C#N)cc1OC)[C@H](CC)c1ccccc1 1652360569 FZBGCTZBLCYMLM-HXUWFJFHSA-N 322.452 4.930 30 20 DJED Cc1ccc(C#N)c(NC[C@@H](C)c2c(Cl)cccc2Cl)n1 1655069446 YLSQGYGUYMRTCE-SNVBAGLBSA-N 320.223 4.784 30 20 DJED C[C@H](Sc1cccc(C#N)n1)c1cccc(C(F)(F)F)c1 1655708120 LFWVWHCKPNDMDT-JTQLQIEISA-N 308.328 4.825 30 20 DJED CC1(C)C[C@H](c2ccccc2)N(Cc2ccc(CC#N)cc2)C1 1659109543 PFWVPZXJRRIIJU-HXUWFJFHSA-N 304.437 4.726 30 20 DJED CC(CCCCCCC(=O)O)=NN1CCC(C(C)(C)C)CC1 1776057783 DYVOYIMGWUCNMO-UHFFFAOYSA-N 310.482 4.546 30 20 DJED Cc1c(NN=C2CCCC3(CCCCC3)C2)cccc1C(=O)O 1776089774 HAQMIVJEHVOFJO-UHFFFAOYSA-N 314.429 4.986 30 20 DJED CC1(C)OB(C23CC(c4ccsc4)(C2)[C@H]3C2CC2)OC1(C)C 2090608773 XQNKBPSFBPJVIP-RWBZWWBESA-N 316.275 4.652 30 20 DJED c1nc(NN=C2CCCCCCC2)c2c3c(sc2n1)CCC3 8284799 FLUKRKIKKQAXTL-UHFFFAOYSA-N 314.458 4.692 30 20 DJED CC(C)CCc1nc(CSc2ccc(C#N)cc2)cs1 109168608 NNMJBXPRXBBLHL-UHFFFAOYSA-N 302.468 4.896 30 20 DJED CCCCCCC[S@@](=O)Cc1ncc(Cl)cc1Cl 122125420 XPJKHTMHXXHRSB-SFHVURJKSA-N 308.274 4.608 30 20 DJED Clc1ccc(CON=Cc2cccc(Cl)c2Cl)cn1 255728930 DSHDYCLQBCECPM-UHFFFAOYSA-N 315.587 4.593 30 20 DJED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1c1nc2ccccc2s1 301456245 SCXOTLAFNLGQFD-RDJZCZTQSA-N 319.433 4.572 30 20 DJED CCC(CC)c1cc(CNc2ccc(Cl)cc2C#N)on1 301470316 SKRVAQIWOSQGKV-UHFFFAOYSA-N 303.793 4.715 30 20 DJED C[C@@H](Nc1ccc(OCC#N)cc1)c1cccc2ccccc12 319840218 OOEWTYHVHKENLI-OAHLLOKOSA-N 302.377 4.915 30 20 DJED OC(=Nc1c[nH]nc1-c1ccccn1)[C@@H]1CCC[C@@H]2CCCC[C@H]21 329158309 DLNPZNVIISLPPG-RRFJBIMHSA-N 324.428 4.666 30 20 DJED CC1(C)CCCC[C@@H]1C(O)=Nc1nc(C2CCOCC2)cs1 329223372 XYBRBQRVAXTTHN-CYBMUJFWSA-N 322.474 4.842 30 20 DJED CN(C(=O)Nc1cccc(C#N)c1)C1CCC(C(C)(C)C)CC1 409741645 QTJCOXLQHHNMSM-UHFFFAOYSA-N 313.445 4.627 30 20 DJED N#C[C@@H]1CC[C@@H](Nc2ccc(COCc3ccccc3)cc2)C1 442852789 ILNIKPNQEPRDPQ-UYAOXDASSA-N 306.409 4.508 30 20 DJED Cc1ccccc1[C@@H](CC(F)(F)F)NCc1ccc(C#N)s1 444008495 GNRUUVXULLRKCT-OAHLLOKOSA-N 324.371 4.712 30 20 DJED CCOc1ccccc1[C@H](CC)NC1CCC(C)(C#N)CC1 449108468 QZNNAFGWFUTDON-RMXPPQQLSA-N 300.446 4.598 30 20 DJED C=CCCCC[C@@H](C)Nc1ccc(Cl)c(C[S@@](C)=O)c1 449233099 KDPXLCKGGPHVGA-ZUOKHONESA-N 313.894 4.765 30 20 DJED C=CCOCCCSCc1cc(Cl)cc2cccnc12 479592115 YZHMVPCFQRQBOD-UHFFFAOYSA-N 307.846 4.714 30 20 DJED C=CCOc1ccccc1-c1nc(-c2ccccc2Cl)no1 504254750 VFCWBORGEMIUEY-UHFFFAOYSA-N 312.756 4.622 30 20 DJED C=C[C@H](CC(=O)Nc1cccc(Cl)c1F)c1ccccc1 536252942 JTLVKHQLJGURAS-GFCCVEGCSA-N 303.764 4.778 30 20 DJED C[C@@H](NCCCSc1ccc(F)cc1)c1cccc(C#N)c1 538393996 JZQQAXQBXJHCQW-CQSZACIVSA-N 314.429 4.530 30 20 DJED C=CC[C@@H](C)N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C 540174736 WGOABCBXJSXYCY-OLZOCXBDSA-N 316.470 4.742 30 20 DJED CC[C@]1(C)C[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1C#N 569288143 BBXKNMCCCFDQCU-GHTZIAJQSA-N 318.420 4.528 30 20 DJED C=CCCCC(=O)N(C)c1ccc(Cl)c(C(F)(F)F)c1 584316167 ATNDMNADABBHBR-UHFFFAOYSA-N 305.727 4.678 30 20 DJED C[C@H](SCc1ccc(C#N)cn1)c1cccc(C(F)(F)F)c1 594909104 ANRFQHACBIFHBP-NSHDSACASA-N 322.355 4.966 30 20 DJED Cc1ccc(C)c(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c1 609414836 NFWWTQDNCBGKDA-LJQANCHMSA-N 320.436 4.596 30 20 DJED CC[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1F 618804069 JUWDVNMGUISAHM-RTBURBONSA-N 312.363 4.565 30 20 DJED C=CCC1(NC(=O)C[C@H](C)c2c[nH]c3ccccc23)CCCC1 619110878 KHTRXBPGSASVRI-HNNXBMFYSA-N 310.441 4.667 30 20 DJED C=CCCC(C)(C)NCc1csc(COc2ccccc2)n1 657805946 YFNXSMFUTUDTJN-UHFFFAOYSA-N 316.470 4.557 30 20 DJED C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H]2CC=CCC2)c1 728247960 BGXWAMJNALGRRK-HXUWFJFHSA-N 315.416 4.557 30 20 DJED N#CCC[C@H](C#N)CNc1ccc(OCC2CCCCC2)cc1 732919674 PUVRKGGICCHDNZ-QGZVFWFLSA-N 311.429 4.501 30 20 DJED O=C(/C=C/c1ccc(Cl)cc1)c1c(Cl)nc2sccn12 741844289 NQQGCFQAHVEXRC-ZZXKWVIFSA-N 323.204 4.599 30 20 DJED COCc1ccc(/C=C\C(=O)c2ccc(F)c(Cl)c2)cc1 741844676 RTGMFOVSKRQLDM-TWGQIWQCSA-N 304.748 4.522 30 20 DJED COCCCOc1cccc(/C=C\C(=O)c2ccc(C)c(C)c2)c1 746340817 SYUSXXRWLPARBO-LUAWRHEFSA-N 324.420 4.615 30 20 DJED CCCCCC[C@@H](C)NN=Cc1c(C2CC2)nc2sccn12 755754953 VEJPJFNCQGRVOW-CYBMUJFWSA-N 318.490 4.556 30 20 DJED Cc1ccoc1C(=O)/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 769783211 AHDWFQAPEQBMCS-FNORWQNLSA-N 323.304 4.652 30 20 DJED C=CC[C@H](C(=O)O[C@H](C)c1cccc(C#N)c1)c1ccccc1 778631574 IKWZGJUCCMJGEM-BEFAXECRSA-N 305.377 4.522 30 20 DJED CCCCCCCCS(=O)(=O)[C@H](C)c1ccccc1OC 790173085 DITHJQJFHCDUBX-OAHLLOKOSA-N 312.475 4.532 30 20 DJED Cc1cccc2nc([C@@H](C#N)C(=O)CCCCC(C)(C)C)[nH]c12 805884070 LFEZICDJYJBYDZ-AWEZNQCLSA-N 311.429 4.654 30 20 DJED C[C@@H](Oc1cc(C=O)cc(C(F)(F)F)c1)c1ccc(C#N)cc1 810030164 QYRBSQWOIIKPGC-LLVKDONJSA-N 319.282 4.530 30 20 DJED O=C(/C=C1/COc2ccc(F)cc21)c1ccc(C(F)(F)F)cc1 918156286 QUKBNMUEHVESSK-XFFZJAGNSA-N 322.257 4.503 30 20 DJED C=C[C@H](CC)CC(=O)Nc1ccccc1S[C@@H](C)CC#N 932393046 UHTCOQBOUXNFAN-UONOGXRCSA-N 302.443 4.622 30 20 DJED C[C@H]1CC(C)(C)c2cccc(NC(=O)Cc3ccc(C#N)cc3)c21 1133932075 ZLKKODXOURGQOL-AWEZNQCLSA-N 318.420 4.524 30 20 DJED COc1ccccc1[C@@H]1CC[C@@H](C)CN1c1cccc(F)c1C#N 1186403879 CVNSRWXFXWAFRH-KUHUBIRLSA-N 324.399 4.684 30 20 DJED Cc1cc(CN2C[C@H](C)C[C@H]2c2cccc(F)c2)ccc1C#N 1204307145 KLXOJQMGTFRKFM-VLIAUNLRSA-N 308.400 4.589 30 20 DJED CCCC[C@@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)C(C)C 1266570168 AZMDZIPESMSMCJ-LJQANCHMSA-N 312.457 4.512 30 20 DJED N#Cc1ccc(CN2CC[C@@H]2c2ccc(Cl)cc2)c(Cl)c1 1307764913 ZYGWRCUBXZCAPU-QGZVFWFLSA-N 317.219 4.812 30 20 DJED Cc1nc(-c2cccc(NCc3ccc(C#N)c(F)c3)c2)cs1 1308633338 YOZDCGFINKVEBX-UHFFFAOYSA-N 323.396 4.741 30 20 DJED CC(C)[C@@H](Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 1322343051 NXTQIKKLRHZWLF-GOSISDBHSA-N 317.392 4.591 30 20 DJED C[C@@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C1CCC1 1353177242 HZESNIMKWFGGGS-CQSZACIVSA-N 320.392 4.725 30 20 DJED CCc1cc(C#N)c(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)s1 1355622678 WMELEJBMJWSHNM-APHBMKBZSA-N 316.470 4.727 30 20 DJED CCC(C)(C)c1ccc(COC(=O)c2cccc(C#N)c2)cc1 1435685665 CIRZTZBPXULQCW-UHFFFAOYSA-N 307.393 4.603 30 20 DJED CCc1ccc([C@@H](C)C(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1 1457191678 MNFPATNTVPWPRY-CABCVRRESA-N 307.393 4.529 30 20 DJED N#Cc1csc(CNCC2CCC(c3ccccc3)CC2)c1 1461182170 SSDYZXXQYDWYJB-UHFFFAOYSA-N 310.466 4.683 30 20 DJED Cc1cc(C)c(C#N)c(SCc2ccc(Cl)cc2F)n1 1472919058 YXWONWFGPAHIJF-UHFFFAOYSA-N 306.793 4.655 30 20 DJED CC(C)CN(CCCc1ccsc1)Cc1ccc(C#N)cc1 1473130362 QDAMYMOKDHFCBA-UHFFFAOYSA-N 312.482 4.711 30 20 DJED N#Cc1ccc(C2CCN(C[C@H]3C[C@H]3c3ccccc3)CC2)cc1 1561026494 GFUDHPPPGNKVLY-YADHBBJMSA-N 316.448 4.541 30 20 DJED CCC[C@@H](NC(=O)Nc1scc(C)c1C#N)c1ccccc1 1562766673 MQMRPACXWHRAIT-OAHLLOKOSA-N 313.426 4.591 30 20 DJED CC1(C)C[C@@H](Nc2cccc(F)c2C#N)c2cc(F)ccc2O1 1640116346 KPUGAZWBVGGLLZ-MRXNPFEDSA-N 314.335 4.551 30 20 DJED CCC[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)C1CCCC1 1642786644 BLGITWBAWIZXEG-CYBMUJFWSA-N 311.351 4.743 30 20 DJED Cc1cc(Sc2nc(C3CCCCC3)cs2)ncc1C#N 1651355934 QPCLDJGQBRGODM-UHFFFAOYSA-N 315.467 4.917 30 20 DJED C[C@H]1c2cc(Cl)cc(Cl)c2CCN1CCC(C)(C)C#N 1652689784 OOYNPFJKPPIXII-NSHDSACASA-N 311.256 4.852 30 20 DJED CCC[C@H]1CCc2ccccc2N1Cc1ccc(C#N)cc1C 1652813127 YEQLPMVDTJDAQV-FQEVSTJZSA-N 304.437 4.988 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C/C=C\c1ccc(Cl)cc1 1653973122 WFPYPQFBXHIBHU-ZDTYVGOBSA-N 310.828 4.918 30 20 DJED CC(C)c1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 1657554911 WHJZDBXTGWRHMF-OAQYLSRUSA-N 304.437 4.849 30 20 DJED Cc1cc(CN2CCC[C@@]2(C)Cc2cccc(F)c2)ccc1C#N 1660095532 PSZVTSQNMSGCKZ-NRFANRHFSA-N 322.427 4.603 30 20 DJED C[C@H](CCC#N)CN[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 1665031977 MLCGBHMTYKRLEI-KYJSFNMBSA-N 304.865 4.896 30 20 DJED CCCCc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1 41543215 LNTCZWFUCIPSPI-INIZCTEOSA-N 318.376 4.660 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1ccc(C)cc1C 43143188 LVUNIOQGTGTIAU-UHFFFAOYSA-N 300.427 4.585 30 20 DJED CC(C)(C#N)CCCNc1cc(Br)ccc1Cl 87598215 ASXSHLQZJSINMJ-UHFFFAOYSA-N 315.642 4.844 30 20 DJED C=CCCCSc1nnc(Cc2c(F)cccc2Cl)o1 117552806 HOOFHHSGIMJWSG-UHFFFAOYSA-N 312.797 4.511 30 20 DJED CC[C@@H](O)c1ccc(OCc2ccccc2C(C)(C)C#N)cc1 134168207 ZDMKERYOVVJQKL-LJQANCHMSA-N 309.409 4.510 30 20 DJED CCO[C@@H](C)c1nc(CSCCCC(C)(C)C#N)cs1 161830540 XVDPWSVCPMTKDZ-LBPRGKRZSA-N 312.504 4.804 30 20 DJED N#CCc1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1 254556252 JZKGIRVWONVQMJ-UHFFFAOYSA-N 305.164 4.516 30 20 DJED CCOc1ccccc1[C@H](CC)Nc1snc(Cl)c1C#N 301964052 SUULSBYBCHRVCD-LBPRGKRZSA-N 321.833 4.630 30 20 DJED CC[C@@H](Nc1c(F)cc(C#N)cc1F)c1cc(F)ccc1F 303794355 FSCSLNQSFKHKPL-OAHLLOKOSA-N 308.278 4.678 30 20 DJED N#Cc1ccc(CN2C(=O)c3cccc4cccc2c34)c(Cl)c1 322920623 WFFWLLAOUGQURI-UHFFFAOYSA-N 318.763 4.525 30 20 DJED Cc1ccnc(N[C@H](C)c2nc(-c3ccccc3)cs2)c1C#N 343505374 DSDYEGQMGGCRAJ-CYBMUJFWSA-N 320.421 4.558 30 20 DJED C=CCC[C@@H](N[C@@H]1CCOc2c(F)ccc(F)c21)c1ccco1 361187403 IOBVKXSXRYJNSY-HUUCEWRRSA-N 319.351 4.679 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1ncc(C(C)(C)C)s1 425363717 CSWYNSNRIKSLKX-CYBMUJFWSA-N 313.470 4.505 30 20 DJED CC(C)(C)c1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)cc1 439657588 DZOKDDXQCQPYLN-LJQANCHMSA-N 320.436 4.759 30 20 DJED C[C@@H](SCc1ccn(C2CCCC2)n1)c1cccc(C#N)c1 443145700 NJVSOUOJFQIHRS-CQSZACIVSA-N 311.454 4.864 30 20 DJED C=CCOc1ccc(OCc2ncc(-c3cccs3)o2)cc1 471295595 BPPDPRGUJMRMTH-UHFFFAOYSA-N 313.378 4.547 30 20 DJED C=CCCCC(=O)N(Cc1ccccc1)Cc1ccccc1F 479775657 TVLGDUPNGWVQTJ-UHFFFAOYSA-N 311.400 4.711 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1ccc(F)cc1Cl 482736783 PTIYMXRSINEHEV-UHFFFAOYSA-N 309.812 4.688 30 20 DJED Cc1cccc(CN(Cc2ccco2)Cc2cc(C#N)cs2)c1 507206040 YKBQVISXAGBOHH-UHFFFAOYSA-N 322.433 4.724 30 20 DJED Cc1oc(C(C)C)cc1C(=O)N(CC(C)C)c1ccc(C#N)cc1 508572791 XIVBJVLWNQRXBN-UHFFFAOYSA-N 324.424 4.886 30 20 DJED C=CCN(Cc1ccccc1)C(=O)N[C@H](CC)c1ccc(C)cc1 523220512 RATPMRZPRRAEHX-HXUWFJFHSA-N 322.452 4.844 30 20 DJED N#Cc1ccsc1C(=O)Nc1ccc2oc3ccccc3c2c1 523307309 QKVZNTZXYUOTJX-UHFFFAOYSA-N 318.357 4.771 30 20 DJED CC1CCC(CC(=O)N(Cc2ccc(C#N)cc2)C(C)C)CC1 523713974 XRAAIGMHZSOKNE-UHFFFAOYSA-N 312.457 4.512 30 20 DJED CCC(CC)[C@H](C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 535616567 MAQVUSRMVBEOFH-KBPBESRZSA-N 318.486 4.949 30 20 DJED C[C@H](SCC1(C#N)CC1)c1ccc(OC(F)(F)F)cc1 538415528 DDVNDHHGNQIYEY-JTQLQIEISA-N 301.333 4.683 30 20 DJED C=CCC(C)(C)c1noc([C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 556360593 ASZWFEREBJUKAQ-GHMZBOCLSA-N 302.340 4.759 30 20 DJED CCOc1cccc2cc([C@@H](C)NCC(C)(C)CCC#N)oc12 563735160 VDIJULCOWNIKNV-CQSZACIVSA-N 314.429 4.812 30 20 DJED CC(C)(C#N)CC[S@](=O)Cc1ccc(-c2ccccc2)cc1 567662451 MNSRCUWQAINDAE-QFIPXVFZSA-N 311.450 4.542 30 20 DJED CC(C)c1ccc2c(c1)[C@@H](N[C@@H]1CCc3ccc(C#N)cc31)CC2 573452812 YHZDKAOAUVAGLV-YADHBBJMSA-N 316.448 4.946 30 20 DJED COc1cc(C#N)cc(Cl)c1OCc1ccc(SC)cc1 590851085 JUADLLLJVGAWIY-UHFFFAOYSA-N 319.813 4.521 30 20 DJED CCc1cccc(NC(=O)CS[C@@H](C)c2ccc(C#N)cc2)c1 609825524 CKSAFCOCPVOHQD-AWEZNQCLSA-N 324.449 4.554 30 20 DJED C=CCCCCNC(=O)c1sc2cc(F)ccc2c1Cl 681145882 SQNFYXKFTNAGHQ-UHFFFAOYSA-N 311.809 4.780 30 20 DJED CC(C)CN(CCC#N)Cc1cc2oc3ccccc3c2cc1O 726961848 PJLWYFGBFNDDDB-UHFFFAOYSA-N 322.408 4.663 30 20 DJED CCCCCCCC(=O)NCc1ccc(N2CCCCC2)cc1 742475915 FPILUSJXPABXDF-UHFFFAOYSA-N 316.489 4.654 30 20 DJED CCC(CC)=NNc1nc2cc(C(F)(F)F)ccc2s1 743445540 ZUHXKUJWKRRVLD-UHFFFAOYSA-N 301.337 4.903 30 20 DJED Fc1cc(NN=Cc2c(Cl)cccc2Cl)cc(F)c1F 747638948 XQPFDYHGGMGSCT-UHFFFAOYSA-N 319.113 4.857 30 20 DJED N#Cc1csc(/C=C\C(=O)c2ccc(-c3ccccc3)o2)c1 761803910 HEPOHEGODOMIRS-SREVYHEPSA-N 305.358 4.776 30 20 DJED CCCOc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1OCCC 765922103 ZWTQSDZHURMURC-HOTGVXAUSA-N 316.445 4.758 30 20 DJED Cc1ccccc1[C@H](CC(F)(F)F)/N=C/c1ccccc1O 766283024 GGFWTGAISUPVMS-FPQGOQEYSA-N 307.315 4.813 30 20 DJED CC#CCCCC(=O)N(Cc1ccco1)c1ccc(C)c(C)c1 767067453 QRIIEFHHQVZUFC-UHFFFAOYSA-N 309.409 4.623 30 20 DJED CCOc1ccc(N[C@H](C)c2ccc(C#N)cc2)c2ncccc12 768257981 RFUOYEQEKIHBFG-CQSZACIVSA-N 317.392 4.678 30 20 DJED C=CCCCCNC(=O)c1ccc(C2SCCCS2)cc1 770081794 IZQPCWKKSNQLFN-UHFFFAOYSA-N 321.511 4.641 30 20 DJED CC(C)[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)c2ccccc21 774253446 PCWVSKHWSZDZEV-UYAOXDASSA-N 308.400 4.672 30 20 DJED CSc1cccc(NCc2ccc(O[C@@H](C)C#N)cc2)c1C 774833333 RSRKGPNOQCVNQX-ZDUSSCGKSA-N 312.438 4.620 30 20 DJED C=CC[C@H](C(=O)O[C@H](C)c1nc2ccccc2o1)c1ccccc1 777771366 TWKNGZBGLCJDCB-ZBFHGGJFSA-N 321.376 4.792 30 20 DJED CSc1ccc(C(=O)/C=C\c2scnc2C2CC2)cc1F 782343497 WFJDRWAVHKXSRR-ALCCZGGFSA-N 319.426 4.778 30 20 DJED Cc1cc(/C=C/C(=O)c2cc(F)ccc2F)cc2cccnc12 783702183 SGRVYTCUANXWKB-QPJJXVBHSA-N 309.315 4.718 30 20 DJED CC(C)c1ccccc1OC(=O)C[C@@H](CC#N)c1ccccc1 796524734 PAHRWLYOGCYEHG-QGZVFWFLSA-N 307.393 4.803 30 20 DJED CC[C@@H]1CCCC[C@@H]1C(=O)[C@H](C#N)c1ccc2ccccc2n1 796627446 AXODFMICLJSGJC-HYVNUMGLSA-N 306.409 4.627 30 20 DJED N#C[C@H](C(=O)C(C1CCC1)C1CCC1)c1ccc2ccccc2n1 796745835 CYRNZTPSCQKHGD-KRWDZBQOSA-N 318.420 4.627 30 20 DJED C=CCCCCCCNC(=O)Nc1cccc(-c2ncco2)c1 806368126 VQZWWBZZFRCQCX-UHFFFAOYSA-N 313.401 4.600 30 20 DJED C=CCCC[C@@H](NCc1cccc(-c2ccc(C)cc2)c1)C(=O)O 900068997 SLYBUQGILJYOJW-HXUWFJFHSA-N 323.436 4.561 30 20 DJED CC(=NNc1ccc(Br)cc1)c1ccc(C)s1 912828113 OSWUYJGRNVGLRZ-UHFFFAOYSA-N 309.232 4.655 30 20 DJED Cc1ccc2c(c1)C/C(=C\c1ccccc1Br)C2=O 921263856 JWWZMQBEXDDSQS-NTEUORMPSA-N 313.194 4.580 30 20 DJED C[C@H]1[C@@H](c2ccccc2)CCN1Cc1ccc(Cl)cc1C#N 1191444250 JYFPCXYSIBCETB-LIRRHRJNSA-N 310.828 4.590 30 20 DJED C[C@@H]1C[C@@H](NCc2cc(C#N)ccc2F)C[C@H](c2ccccc2)C1 1203683444 VYLFJKDCZJLEPA-QKYXUNIQSA-N 322.427 4.759 30 20 DJED C[C@H](CNC(=O)Nc1scc(C(C)(C)C)c1C#N)C(C)(C)C 1218514342 QIHIOXFCHFKZFW-LLVKDONJSA-N 321.490 4.721 30 20 DJED CC[C@@H](OC(=O)c1cc(C#N)cs1)C(C)(C)c1ccccc1 1265322448 GSONPSMYCWCTKD-MRXNPFEDSA-N 313.422 4.533 30 20 DJED CCCC[C@@H](NCc1ccc(C#N)cc1OC(F)F)C1CCC1 1307667739 OBFXTJMVOMHEQA-MRXNPFEDSA-N 322.399 4.608 30 20 DJED CCCN(C(=O)c1cc(C#N)ccc1F)[C@H](CC)c1ccccc1 1355647081 SFTCHPZDLYEFGD-LJQANCHMSA-N 324.399 4.701 30 20 DJED CCN(CCC#N)Cc1cccc(Oc2ccc(Cl)cc2)c1 1459601284 CWRDOEMPZJTSRY-UHFFFAOYSA-N 314.816 4.868 30 20 DJED CCC[C@@H]1CCC[C@H]1C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 1533970428 PZICKOGOCQKRDQ-KFKAGJAMSA-N 312.457 4.684 30 20 DJED CCC[C@H](CCc1ccccc1)Nc1ccc(Cl)c(C#N)n1 1612023805 XFNACDNLVHRUGN-OAHLLOKOSA-N 313.832 4.820 30 20 DJED CCN(Cc1cc2ccccc2o1)[C@@H](C)c1ccc(C#N)cc1 1641564921 IFZIMMBOJNSAMW-HNNXBMFYSA-N 304.393 4.888 30 20 DJED CCOc1ccccc1[C@@H](CC(C)C)Nc1cccc(C#N)n1 1650828628 FFJISRWWLFSFGW-QGZVFWFLSA-N 309.413 4.551 30 20 DJED Cc1ccccc1C1(CNc2ncccc2C#N)CCCCC1 1651467787 MVKAMPIJUZEVGH-UHFFFAOYSA-N 305.425 4.576 30 20 DJED C[C@H](CC#N)NCc1cc(F)ccc1Oc1cccc(Cl)c1 1651494416 LGXYPBNFXMYBQO-GFCCVEGCSA-N 318.779 4.663 30 20 DJED N#Cc1cc2c(nc1SC/C=C/c1ccccc1)CCCC2 1652581380 MXAPJDGGCGWOTH-RMKNXTFCSA-N 306.434 4.638 30 20 DJED Cc1ccc(C#N)c(NCc2ccc(Oc3ccccc3)cc2)n1 1655074882 UUVNRSSTLPKIOS-UHFFFAOYSA-N 315.376 4.666 30 20 DJED C=C(CNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 1655542876 QWAPFTMXQYBKIB-UHFFFAOYSA-N 312.722 4.879 30 20 DJED Cc1ccc(C2(CN[C@@H]3CCC[C@@H](C#N)C3)CCCC2)c(C)c1 1659324587 MBLXEERGUZSWFS-RTBURBONSA-N 310.485 4.787 30 20 DJED CC[C@H]1CCCC[C@H]1C=NNc1ccc(Cl)c(C(=O)O)c1 1776034001 FMWXJIOAYSKRDZ-RYUDHWBXSA-N 308.809 4.652 30 20 DJED COc1cccc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)c1 57438016 YFBHZZOOBABWEB-CMDGGOBGSA-N 306.283 4.610 30 20 DJED CCC[C@@H](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N 66800806 LCCBLDXNPHCNKL-ZIAGYGMSSA-N 304.459 4.846 30 20 DJED C=CCC[C@H](N[C@@H](C)c1nc2ccccc2n1C)c1ccccc1 91400586 QURFPDQXUZGQRI-WMZOPIPTSA-N 319.452 4.931 30 20 DJED C[C@H]1CCC[C@@H](Sc2nc(C(F)(F)F)ccc2C#N)C1 94336977 IHIHDZIPROBYHG-GXSJLCMTSA-N 300.349 4.643 30 20 DJED CCC[C@H](C(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 104684157 IEJBHOAXYBFASD-HNNXBMFYSA-N 312.438 4.759 30 20 DJED C#CCCCCC(=O)Nc1ccc(COCc2ccccc2)cc1 119903198 QEZVUSSVSYQEQO-UHFFFAOYSA-N 321.420 4.536 30 20 DJED C#CCN(CC)C(=S)Nc1c(C(C)C)cccc1C(C)C 138919037 UMVHCIACTKKTKS-UHFFFAOYSA-N 302.487 4.585 30 20 DJED Cc1cc(C)c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)o1 176576363 YEYWXQITOAIVTQ-ZDUSSCGKSA-N 314.410 4.543 30 20 DJED C=CC[C@@H](C(=O)Nc1cc(F)ccc1Cl)c1ccccc1 187548091 CCQCELZUHGKLKF-CQSZACIVSA-N 303.764 4.778 30 20 DJED Cc1cc(Oc2cccc(F)c2C#N)cc(C)c1Br 235875758 JQZMOJCTDJNYAJ-UHFFFAOYSA-N 320.161 4.869 30 20 DJED CC[C@@H]1CCCC[C@H]1C(O)=Nc1nc(C2CCOCC2)cs1 329183265 FMISQSOBZPGACN-TZMCWYRMSA-N 322.474 4.842 30 20 DJED C=CCC1(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CCC1 361467437 VGCGQYDAAXNRHM-CQSZACIVSA-N 321.873 4.740 30 20 DJED CC1(C)CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1CC#N 410961471 ADBMAXUYQJMSSU-AWEZNQCLSA-N 304.821 4.561 30 20 DJED C=CCC(C)(C)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 429884841 BVOQAZFVWCRWOB-ZDUSSCGKSA-N 309.862 4.595 30 20 DJED CC(C)(C)OC1CC(CCNc2ccc(Cl)cc2C#N)C1 432876853 CQBRRCTZZNGGJW-UHFFFAOYSA-N 306.837 4.607 30 20 DJED C=CCCCC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 436467430 CFFHLNLINZHWIM-ZDUSSCGKSA-N 323.717 4.555 30 20 DJED N#C[C@@H]1CCC[C@@H](N[C@H](Cc2ccccc2)c2ccccc2)C1 463295950 QOUDDLUGVCGKIY-HMXCVIKNSA-N 304.437 4.642 30 20 DJED C[C@H](CC1CCCC1)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 464956662 WJPCQCTXQGKYGT-NSISKUIASA-N 324.468 4.501 30 20 DJED C=CCCCC[C@@H](C)N[C@H](C)c1ccc(Br)cn1 479391002 MDJJTWBQZMUPMT-CHWSQXEVSA-N 311.267 4.630 30 20 DJED C[C@H](N[C@H]1CC[C@H](c2cccc(F)c2)C1)c1ccc(C#N)cc1 479534422 WPINGXZTQXGSGC-DCPHZVHLSA-N 308.400 4.684 30 20 DJED C[C@H](c1ccco1)N(Cc1ccc(Cl)cc1C#N)C1CC1 480879260 KYRLOYCNNVPXHY-GFCCVEGCSA-N 300.789 4.530 30 20 DJED C[C@@H](Oc1ccccc1NC(=O)CC(C)(C)C#N)c1ccccc1 485487548 GSGNBUGKCBGZAL-OAHLLOKOSA-N 322.408 4.705 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N(C)c1ccccc1C#N 489727026 UXXDOJXMIASJDW-RDJZCZTQSA-N 318.420 4.511 30 20 DJED CCc1c(C)sc(NC(=O)[C@H](c2ccccc2)C2CC2)c1C#N 499734624 ZJARMQINXXEZCO-QGZVFWFLSA-N 324.449 4.623 30 20 DJED N#CCCCCN1CC=C(c2ccc(Cl)c(Cl)c2)CC1 511217196 OUULGRCJSWBBTD-UHFFFAOYSA-N 309.240 4.776 30 20 DJED N#Cc1cccc(CN[C@@H](c2cccc(F)c2)C2CCCC2)c1 531791605 QHPGNFBKSKUXCV-HXUWFJFHSA-N 308.400 4.718 30 20 DJED N#Cc1ccc(CN[C@@H](c2ccccc2)C2CCCC2)c(F)c1 533449318 AHGNNJIHUHFEHK-FQEVSTJZSA-N 308.400 4.718 30 20 DJED COc1ccc([C@H]2CCCCCN2CCC(C)(C)C#N)cc1 534216437 OBSMYQAFBPUSSW-GOSISDBHSA-N 300.446 4.552 30 20 DJED Cc1ccccc1[C@H](NCc1cc(C#N)ccc1F)C(C)(C)C 537157067 LYWGYCZLFNOMBI-IBGZPJMESA-N 310.416 4.883 30 20 DJED C[C@@H](N[C@H]1CCCc2c(Cl)cccc21)c1ccc(C#N)cc1 543602139 GRCFCZKRSJWTIA-YJYMSZOUSA-N 310.828 4.940 30 20 DJED CC[C@@H](C)[C@@H](NCc1nc(C#N)cs1)c1ccc(Cl)cc1 554972033 UFDRYFWBYVYXRF-BDJLRTHQSA-N 319.861 4.545 30 20 DJED C[C@@H](NCCCc1cccs1)c1ccc(C#N)cc1Cl 557636006 MCFAEFRYLYREDK-GFCCVEGCSA-N 304.846 4.557 30 20 DJED C=CCCO[C@H](C)c1nc(-c2cc3cc(Cl)ccc3[nH]2)no1 573794158 LVNJXDPFMOEAGC-SNVBAGLBSA-N 317.776 4.525 30 20 DJED C=C(C)COc1cccc(NC(=O)N(C)Cc2ccc(C)cc2)c1 589741112 SHVPFYBRRBEZQM-UHFFFAOYSA-N 324.424 4.614 30 20 DJED C[C@@H]1C[C@@H](NC(=O)CCCCCC#N)C[C@H](c2ccccc2)C1 591098913 BSNYTVXVNORRNF-QXAKKESOSA-N 312.457 4.549 30 20 DJED N#CCC1(CSCc2csc(Cc3ccccc3)n2)CC1 596331447 COWSLUCZISDQFO-UHFFFAOYSA-N 314.479 4.661 30 20 DJED Cc1ccc(C[C@H](C#N)Sc2ncc(-c3ccccc3)[nH]2)cc1 603549390 GOVYZJZZAMLRBX-QGZVFWFLSA-N 319.433 4.612 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2NCc1csc(Cl)c1Cl 618743124 XJTPOOLXCRSLDL-CYBMUJFWSA-N 323.248 4.704 30 20 DJED C=CCC[C@H](NC(=O)N1CCC[C@H](C2CC2)C1)c1ccccc1 673559410 ZWRSOXLXQWDXSD-OALUTQOASA-N 312.457 4.526 30 20 DJED CC(C)Oc1ccc(C(=O)/C=C\c2nccc3ccccc23)cc1 740764829 HQKKGXICWANCCW-QXMHVHEDSA-N 317.388 4.918 30 20 DJED CSc1ccc(C(=O)/C=C/c2ccc(F)c(F)c2)cc1F 741846257 ATPQAUSXUHPVGN-ZZXKWVIFSA-N 308.324 4.722 30 20 DJED CCCCCC[C@@](C)(CC)C(=O)NCc1cc(C#N)ccc1F 742732758 BRZTWDYRVFTZSH-LJQANCHMSA-N 318.436 4.700 30 20 DJED C=CCN(Cc1cc(C)nc(-c2ccc(Cl)cc2)n1)C(C)C 751964704 XFYUXXOTEDTZQA-UHFFFAOYSA-N 315.848 4.502 30 20 DJED CCc1ccc(C(=O)/C=C/c2cccc(OC)c2OC(C)C)o1 752238881 YMBPDTSNNSTRKV-PKNBQFBNSA-N 314.381 4.534 30 20 DJED C#CC[C@@H](NCc1cnc(C2CCCC2)s1)c1ccccc1 756997545 XGUQPFIYYBNGIW-GOSISDBHSA-N 310.466 4.655 30 20 DJED CCOc1ccc(O)c(C=Nc2cc(-c3ncco3)ccc2C)c1 759036465 PSZAPVBZQLKVIT-UHFFFAOYSA-N 322.364 4.505 30 20 DJED C=CC[C@H](N[C@H](C)c1ccc2ccccc2n1)c1ccncc1 766019730 MVAZYUGVXVDZDM-BEFAXECRSA-N 303.409 4.598 30 20 DJED CCc1ccc([C@@H](C)CC(=O)OCCCC(C)(C)C#N)cc1 783741979 AJXUMJFGHJOFKI-HNNXBMFYSA-N 301.430 4.616 30 20 DJED C[C@H](OC(=O)CC(C)(C)C#N)c1cc(Cl)ccc1Cl 784364416 BTFRVOXCCHSZKM-VIFPVBQESA-N 300.185 4.537 30 20 DJED C=CCCCCC[C@H](C)N[C@@H](C)c1cccc(NC(C)=O)c1 793516668 LOWAXHQDVGVBRN-HOTGVXAUSA-N 302.462 4.821 30 20 DJED COc1ccc2cc(C(=O)/C=C\c3ccnn3C(C)C)ccc2c1 794926044 HTCIWEDACLBLOJ-CLFYSBASSA-N 320.392 4.522 30 20 DJED Cc1ccc(C)c(N(C(=O)c2ccc(C)c(C#N)c2)C(C)C)c1 799329162 LUABPMBUBHKKIS-UHFFFAOYSA-N 306.409 4.539 30 20 DJED CC(=NNc1cccc([N+](=O)[O-])c1C)c1c(F)cccc1Cl 807969187 NFSGUCACJXXDAZ-UHFFFAOYSA-N 321.739 4.532 30 20 DJED C[C@H]1/C(=C\c2ccc(-c3cnn(C)c3)s2)C(=O)c2ccccc21 809159176 JZSMKLIQYYZWNQ-UDPFGDFPSA-N 320.417 4.532 30 20 DJED FC(F)(F)c1cscc1C=NNc1cccc(Cl)c1 811629750 DOTINNVIPOMOQY-UHFFFAOYSA-N 304.724 4.866 30 20 DJED COCc1ccccc1/C=C(C)/C=C/C(=O)c1cccc(OC)c1 814188246 XOKNBUNMVOSECT-VUWKKMCJSA-N 322.404 4.684 30 20 DJED CC(C)(C#N)[C@@H]1CCCC1=NOCc1ccc(C(F)(F)F)cc1 814882166 IAPWTWXCEUDGFE-CQSZACIVSA-N 324.346 4.928 30 20 DJED CC(=NNc1ccc(F)c(F)c1F)c1cnc2ccsc2c1 814945058 JJIHASFKLCMIHD-UHFFFAOYSA-N 321.327 4.550 30 20 DJED COc1c(OC(=O)CC2(C#N)CCCCC2)ccc2ccccc12 851062136 PWZSLPJTCGSEKV-UHFFFAOYSA-N 323.392 4.618 30 20 DJED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC=CCC2)cc1 915086395 JSYAMWLCATZIPQ-ICSRJNTNSA-N 316.404 4.637 30 20 DJED COc1ccccc1C(C)=NNc1ccccc1C(F)(F)F 916259410 FKEUDZHCEHQGEB-UHFFFAOYSA-N 308.303 4.550 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 1128564678 DFYPJAHINNIBSE-XLIONFOSSA-N 324.468 4.658 30 20 DJED CCOc1cc(C#N)ccc1OCc1cc(Cl)cc(Cl)c1 1307249696 JKMYPYDHMOAIOC-UHFFFAOYSA-N 322.191 4.843 30 20 DJED CCCCN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCC[C@@H](C)C1 1310075905 ATDDILNGOCZONA-QAPCUYQASA-N 313.445 4.771 30 20 DJED C=C(C)[C@H](NC(=O)CC(C1CC1)C1CC1)c1ccc(F)c(F)c1 1325809153 ZGBZFHKSDCYVIS-IBGZPJMESA-N 319.395 4.525 30 20 DJED CCCC[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 1354313793 HARDURVTTMAHCV-LBPRGKRZSA-N 304.459 4.653 30 20 DJED N#Cc1c(F)cccc1N1CCCC[C@@H]1c1ccc(F)cc1F 1458251137 JPIKDPOQKNGBNM-QGZVFWFLSA-N 316.326 4.707 30 20 DJED CC[C@@H](Sc1ccc(C#N)cc1)C(=O)c1ccc(Cl)cc1 1458909465 FVVKKGJAPIFNMD-MRXNPFEDSA-N 315.825 4.965 30 20 DJED CC(C)[C@@H](CC1CCCCC1)C(=O)N1CCc2cc(C#N)ccc21 1460816477 MCUCXJIWHBQQKM-LJQANCHMSA-N 324.468 4.690 30 20 DJED C[C@H](CC(=O)Nc1cc(C#N)c2ccccc2n1)CC(C)(C)C 1525651725 XPTOJEVEEBMMHF-CYBMUJFWSA-N 309.413 4.507 30 20 DJED Cc1c(Cl)cc(NC(=O)c2ccc(C#N)cc2F)cc1Cl 1535870991 PHCVJCONWCLNCM-UHFFFAOYSA-N 323.154 4.565 30 20 DJED CCC[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)C(C)(C)C 1564398985 WPECFGKZZDZPTD-IRXDYDNUSA-N 315.461 4.545 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)[C@H](C)C(C)(C)C)c2C#N)[C@H](C)C1 1588272171 YAAPKXUQKQWRLT-TUAOUCFPSA-N 318.486 4.926 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](Cc2ccccc2)[C@H]1C 1615826731 UPFFKZRBHYKRLS-LZJOCLMNSA-N 304.437 4.572 30 20 DJED N#Cc1cccc(SCc2cc(F)ccc2Br)c1 1652689297 RPKLSOPAOSEDSO-UHFFFAOYSA-N 322.202 4.752 30 20 DJED N#Cc1c(CSCc2c(F)cccc2F)cn2ccccc12 1652871700 MRDYOMBCUYCUKW-UHFFFAOYSA-N 314.360 4.523 30 20 DJED CC(C)CC(C)(C)CNc1nccc(Oc2cccc(C#N)c2)n1 1655222181 QJLSQGKUXDTXDK-UHFFFAOYSA-N 324.428 4.625 30 20 DJED C=C(CNc1ccnc(-c2cccc(Cl)c2)n1)c1ccccc1 1655542582 IMQXFOGKKZYNCR-UHFFFAOYSA-N 321.811 4.922 30 20 DJED CC(C)Cc1ccc(C(=O)CSc2ccc(C#N)cc2)cc1 1656227880 JFKFCXDIDBCKDL-UHFFFAOYSA-N 309.434 4.732 30 20 DJED Cc1cc(C#N)cc(NC(=O)N(C)[C@@H]2CCC[C@H]2C(C)(C)C)c1 1672780612 AHGJNSSYBCAOEQ-IAGOWNOFSA-N 313.445 4.545 30 20 DJED C=C(CNC(=O)N1CCC[C@H]1c1ccccc1C)c1ccccc1 1681774935 SYFDHFSNOHAQEJ-FQEVSTJZSA-N 320.436 4.555 30 20 DJED CCCC(CCc1ccccc1)=NNc1cccc(C(=O)O)c1 1776036855 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4.609 30 20 DJED CC(C)c1cccc(C(C)C)c1NC(=O)N[C@H]1CCC[C@@H]1C#N 334029132 ZMTVKIYNKSKNHV-PBHICJAKSA-N 313.445 4.747 30 20 DJED C[C@@H](N[C@H](CCC#N)c1ccccc1)C1CCC(F)(F)CC1 353311892 HRMDRBLKXLAFKQ-RHSMWYFYSA-N 306.400 4.835 30 20 DJED C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1c(C)cccc1C 413827768 SVKJAXFRGOEHSE-SFHVURJKSA-N 308.425 4.612 30 20 DJED C[C@H](NCC1(CC#N)CC1)c1cc2c(ccc3ccccc32)o1 430726588 VNXUZMCKEDBABE-AWEZNQCLSA-N 304.393 4.930 30 20 DJED C[C@@H](SCc1ncccc1C(F)(F)F)c1cccc(C#N)c1 432246638 OCFOAULHUBOLCW-LLVKDONJSA-N 322.355 4.966 30 20 DJED C=CCC(C)(C)C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 432880161 WUMXPASXFYESSS-UHFFFAOYSA-N 310.397 4.723 30 20 DJED CC[C@H]1CC[C@H](C(=O)N(Cc2ccc(C#N)cc2)C(C)C)CC1 439112381 PBKOFXQOJHXSRX-RUCARUNLSA-N 312.457 4.512 30 20 DJED CC(C)(C#N)CCCCNC1(c2ccc(F)cc2F)CCC1 444671802 FARIDZQUYUYUHY-UHFFFAOYSA-N 306.400 4.654 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2c(C)cccc2F)CCCC1(C)C 444943396 PAAOXNZULDHUBT-HNNXBMFYSA-N 304.409 4.733 30 20 DJED 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324.855 4.900 30 20 DJED Cc1nc(SCC(C)(C)CC#N)c2c(C)c(C)sc2n1 1652392938 FFBNPHUZSZQAQV-UHFFFAOYSA-N 305.472 4.649 30 20 DJED Cc1cc(C#N)cc(NCc2cccc(C)c2Br)c1 1656435406 GDGWKBOSANBCKO-UHFFFAOYSA-N 315.214 4.550 30 20 DJED C[C@@H]1C[C@@H](C(=O)O)CCC1=Nn1c2ccccc2c2ccccc21 1776113118 XZFBEDPRIFEQDV-KGLIPLIRSA-N 320.392 4.519 30 20 DJED CC[C@@H](Nc1ccc(C#N)c(Cl)c1)c1ccccc1OC 37253281 BNQDXYFFTCSASK-MRXNPFEDSA-N 300.789 4.783 30 20 DJED Cc1cccc(C(=O)/C=C/c2cc(Br)cs2)c1 69262982 CMXOMCBMFGQNGS-AATRIKPKSA-N 307.212 4.715 30 20 DJED C=C(Cl)C[S@](=O)Cc1ccc(Oc2ccccc2)c(F)c1 135156580 FTUSZPLYCXOZIV-OAQYLSRUSA-N 324.804 4.619 30 20 DJED C=C[C@@H](CC(=O)N(CC)[C@H](CC)c1ccncc1)c1ccccc1 135498202 PHJQTIIJWVQIBZ-FXAWDEMLSA-N 322.452 4.741 30 20 DJED C=C(C)CN(CC)C(=O)N[C@H](C)c1cc2ccccc2s1 170956638 NXAINQZPVQRGPK-CYBMUJFWSA-N 302.443 4.570 30 20 DJED COc1ccccc1[C@@H](CC(C)C)NCc1cc(C#N)cs1 177708689 LRIHNJVPFMYQMR-QGZVFWFLSA-N 314.454 4.505 30 20 DJED C[C@@H](N[C@H](C)c1nc(C(C)(C)C)cs1)c1ccc(C#N)cc1 181719127 WLOHMYLGVORDMY-CHWSQXEVSA-N 313.470 4.724 30 20 DJED CC(C)n1cc(/C=C\C(=O)c2cc3cc(Cl)ccc3o2)cn1 255198328 JQUXEVAFHUGLJF-HYXAFXHYSA-N 314.772 4.760 30 20 DJED O=C(/C=C\c1csc(-c2cccs2)n1)c1ccsc1 255358319 SSLKORUEVJWXLH-ARJAWSKDSA-N 303.433 4.829 30 20 DJED C[C@H](NCc1ccc(C2CCC2)cc1)c1ccc(OCC#N)cc1 277184019 ICZXTQBWHNPXEJ-INIZCTEOSA-N 320.436 4.707 30 20 DJED Cc1ccc(Cl)cc1NC(=O)[C@H](C)SCCC(C)(C)C#N 289407803 OERLEYSXNPYPKX-LBPRGKRZSA-N 324.877 4.649 30 20 DJED Cc1oc2ccc(N=C(O)N3CCCc4occc4C3)cc2c1C 329591468 YYSYDUUNZPYSLQ-UHFFFAOYSA-N 324.380 4.637 30 20 DJED CC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1OC 341756095 CBUKINIWPUWYGB-WOJBJXKFSA-N 320.436 4.685 30 20 DJED CC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C)cc1 341759116 DMTCTBIONMIAKK-NHCUHLMSSA-N 304.437 4.985 30 20 DJED N#Cc1ccc(CN[C@H](CC2CCC2)c2ccccc2)cc1F 361862245 LXOYVTUEBXFDLR-HXUWFJFHSA-N 308.400 4.718 30 20 DJED Cc1ccccc1[C@H](NC(=O)c1cccc(CC#N)c1)C(C)(C)C 430576714 WSSVLOKSTKITPA-IBGZPJMESA-N 320.436 4.578 30 20 DJED N#Cc1csc(-c2nc(-c3c(Cl)cccc3Cl)no2)c1 437247614 YGQWOIOEVSFABL-UHFFFAOYSA-N 322.176 4.644 30 20 DJED N#C[C@@H]1CC[C@H](NCC2(c3c(Cl)cccc3Cl)CCC2)C1 442866200 VXRQLTROMMGDSF-OLZOCXBDSA-N 323.267 4.697 30 20 DJED N#C[C@@H]1CCC[C@@H](N[C@@H](c2ccc(Cl)cc2)C2CCC2)C1 447560039 BZXHWBCKHQAIRQ-FSPWUOQZSA-N 302.849 4.853 30 20 DJED CCCCN(C(=O)Nc1ccc(CC#N)cc1)C1CCCCC1 454340877 HFGKMHRGKSTADH-UHFFFAOYSA-N 313.445 4.719 30 20 DJED C=C[C@H](C)NC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1 464756808 KMDVTAQDHUTHJA-JKSUJKDBSA-N 308.425 4.631 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 467342509 KLCNHVZPUAAOHW-UHFFFAOYSA-N 324.302 4.554 30 20 DJED C=CC[C@H]1N(C(=O)c2coc(-c3ccccc3)n2)CCCC1(C)C 470279216 JRLRLZBGYFFOEM-QGZVFWFLSA-N 324.424 4.549 30 20 DJED C[C@H](NC(=O)Nc1ccc(C#N)cc1)c1cc2ccccc2s1 502073592 XOPHRZREBSWUJM-LBPRGKRZSA-N 321.405 4.656 30 20 DJED CN(Cc1ccc(C#N)s1)Cc1c(Cl)cccc1Cl 507132819 PREWLPLLIXEXAE-UHFFFAOYSA-N 311.237 4.559 30 20 DJED Cc1c(C#N)c(-c2c[nH]c3cc(F)ccc23)nc2ccccc12 515484251 PDPJDVVUOJEELG-UHFFFAOYSA-N 301.324 4.702 30 20 DJED C=CC1CCN(C(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)CC1 517700036 KYMDMKYKUAUHJN-UHFFFAOYSA-N 323.223 4.513 30 20 DJED C=C[C@H](CC(=O)Nc1ccc2oc(CC)nc2c1)c1ccccc1 536122818 CAZIIGKQKAWSON-CQSZACIVSA-N 320.392 4.689 30 20 DJED C[C@@H]1Cc2ccc(F)cc2[C@@H]1N[C@@H]1CCCc2cc(C#N)ccc21 553002659 CHFSBRMQHIRWOE-OBVPDXSSSA-N 320.411 4.598 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCSc2ccc(F)cc21 618802758 KVEHKHJEJBXPMK-QZTJIDSGSA-N 324.424 4.511 30 20 DJED C=C[C@](C)(CC)C(=O)N(C)Cc1ccc(Cl)cc1Cl 682366894 ADQKTTNNPUGCNP-OAHLLOKOSA-N 300.229 4.554 30 20 DJED C#Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2C(C)C)nc1 728812385 XZULUAYFZZETHX-UHFFFAOYSA-N 306.409 4.562 30 20 DJED CCC(Cc1cccs1)=NNc1nccc2sccc12 730946924 VCDNHXNBXRBAIJ-UHFFFAOYSA-N 301.440 4.778 30 20 DJED Cc1ccc(N=Cc2cc(Cl)ccc2O)cc1OC(F)F 734095831 HLKHNKUAGJDAAK-UHFFFAOYSA-N 311.715 4.706 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(C)cc2)c(OC(F)F)c1 734095866 IKRHQRSMPMHXDG-NTMALXAHSA-N 318.319 4.501 30 20 DJED C#Cc1cccc(N(C(=O)c2cc3cc(F)ccc3o2)C(C)C)c1 735438673 AVNBDGPKIBNCKM-UHFFFAOYSA-N 321.351 4.608 30 20 DJED C=CCCCOC(=O)c1csc(-c2ccc(Cl)s2)n1 735533605 YTRDXGDVJAFZMF-UHFFFAOYSA-N 313.831 4.648 30 20 DJED CCOc1cc(/C=C2/C[C@H](C)c3ccccc3C2=O)ccc1O 751534751 DFCUDXSQXYDOOO-WZMONFQBSA-N 308.377 4.564 30 20 DJED COc1ccc2oc(/C=C3/CCc4sccc4C3=O)cc2c1 763289211 GQQGFFLVSOVOQE-FLIBITNWSA-N 310.374 4.715 30 20 DJED CC[C@H](C(=O)[C@H](C#N)c1nc2ccccc2[nH]1)C1CCC(C)CC1 764761157 YHUISDQHEWSMOH-CKUJCDMFSA-N 323.440 4.592 30 20 DJED C/C=C(/C=C/C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)CC 765474702 GBYDLWWOQSKEDW-GCHCDCFGSA-N 323.223 4.587 30 20 DJED CCOc1cccc2cc(C(C)=NNc3cccc(C#N)c3)oc12 767363653 TTZFUTUCGWKLRN-UHFFFAOYSA-N 319.364 4.539 30 20 DJED CCCCCCCCC/C=C\C(=O)N1CCC[C@@H]1c1ncc[nH]1 777455304 ALENLNJDDSOHFF-OJNOIJSXSA-N 317.477 4.770 30 20 DJED C#CCCCCCC(=O)N[C@@H](CCC)c1ccc(F)cc1F 779980205 ICIXEGQOSXLHBM-KRWDZBQOSA-N 307.384 4.506 30 20 DJED CCOc1cccc(C(=O)/C=C/c2ccc3cnccc3c2)c1 782328778 PFOWDZOKOUQRKO-VQHVLOKHSA-N 303.361 4.530 30 20 DJED O=C1/C(=C\c2ccc3cnccc3c2)CCc2ccc(F)cc21 782351851 NZQWHPPCGNFYCC-YBEGLDIGSA-N 303.336 4.586 30 20 DJED Cc1nn(C(C)C)cc1/C=C1/CCc2ccc(Cl)cc2C1=O 798370469 NMSNSWHBIJZMMR-ZSOIEALJSA-N 314.816 4.638 30 20 DJED CCCCC[C@H](CC)C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842941130 OFASGPQPVLFORM-GXTWGEPZSA-N 304.459 4.803 30 20 DJED Cc1sc2ncnc(NN=C[C@@H](C)c3ccccc3)c2c1C 916310466 WPLKYYKAARAXAV-LLVKDONJSA-N 310.426 4.510 30 20 DJED Cc1ccc(N(CCC#N)C(=O)/C=C/c2ccc(Cl)cc2)cc1 920970755 NWBVLGZECPEZDO-KPKJPENVSA-N 324.811 4.609 30 20 DJED CC(C)(C)CN(CC(C)(C)C)C(=O)c1ccc(Cl)c(C#N)c1 1127751062 XTOGUZYZGDGZIR-UHFFFAOYSA-N 320.864 4.746 30 20 DJED C[C@@H]1CCC[C@H]1CC(=O)Nc1scc(C(C)(C)C)c1C#N 1129478513 UPTWYOXLNBLRNW-NEPJUHHUSA-N 304.459 4.682 30 20 DJED CC(C)(C)c1ccc([C@H]2CCCN2Cc2cc(C#N)ccn2)cc1 1167056204 WQCMISQSPIIJGI-HXUWFJFHSA-N 319.452 4.588 30 20 DJED N#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)c(F)c1 1306914698 LXEGGFGDVRAHRP-UHFFFAOYSA-N 306.296 4.677 30 20 DJED Cc1ncsc1CSCc1ccccc1C(C)(C)C#N 1324650752 WEPDLPGZNKSMKR-UHFFFAOYSA-N 302.468 4.686 30 20 DJED C=CC[C@H](C(=O)Nc1ccn(C2CCCCC2)n1)c1ccccc1 1343817426 RBFLZWRLXZHYRR-SFHVURJKSA-N 323.440 4.687 30 20 DJED Cc1c([C@@H](C)OC(=O)c2ccc(CC#N)cc2)oc2ccccc12 1458962690 WRTKEOQIIFWEMB-CQSZACIVSA-N 319.360 4.725 30 20 DJED CCN(Cc1cccc(Cl)c1F)[C@H](C)c1ccc(C#N)cc1 1459349721 KRUDVPZUEKMZPA-CYBMUJFWSA-N 316.807 4.934 30 20 DJED CC[C@H](C)C[C@@H](C)Nc1nc2c(c(C#N)c1C#N)CCCCCC2 1472707135 YXCFMOLNXNSRQD-LSDHHAIUSA-N 324.472 4.721 30 20 DJED COc1cc(C#N)ccc1CN1CCC[C@H]1CCC1CCCC1 1473279713 CZRRQUWMICOHRP-IBGZPJMESA-N 312.457 4.502 30 20 DJED Cc1ccc(N(CCC#N)C(=O)C[C@H](C)C2CCCCC2)cc1 1542615247 LKFMNDIKGZRLDQ-KRWDZBQOSA-N 312.457 4.848 30 20 DJED CC1(C)C[C@H]2C[C@@](C)(CN2c2nc(C(C)(C)C)ccc2C#N)C1 1559052007 BCQWFWKPVVSYQZ-MGPUTAFESA-N 311.473 4.656 30 20 DJED COc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1C(C)(C)C 1560589361 MJMFVOBBRRJVKH-OAHLLOKOSA-N 322.452 4.715 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)Nc1nc(C)cc(C)c1C#N 1587095992 ALACRAOMJSLIIP-MRXNPFEDSA-N 313.445 4.505 30 20 DJED C[C@@H](Cc1ccccc1C(F)(F)F)N[C@H](C)CC(C)(C)C#N 1621197310 DZDOCUXRJUWJJT-QWHCGFSZSA-N 312.379 4.554 30 20 DJED CCC1(CC)CCC(=NNc2ccc(F)c(C(=O)O)c2)CC1 1776064054 WPICQUAMMIBCLG-UHFFFAOYSA-N 306.381 4.672 30 20 DJED Cc1cccc(CNc2ccccc2Oc2ncccc2C#N)c1 55844428 JGTWZYAOICCSJV-UHFFFAOYSA-N 315.376 4.666 30 20 DJED C=CCN(CCc1ccccc1)Cc1coc(-c2cccs2)n1 65959792 NBMMPUOGWYVTRX-UHFFFAOYSA-N 324.449 4.634 30 20 DJED CCN(C(=O)c1oc2c(C)cccc2c1C)c1ccc(C#N)cc1 151920874 FRCDGSAYWAWRJZ-UHFFFAOYSA-N 318.376 4.588 30 20 DJED C[C@@H](C#N)Oc1ccc(CNc2cccc3ccccc23)cc1 157711672 BMMMFDIMIVQOAE-HNNXBMFYSA-N 302.377 4.743 30 20 DJED N#CCc1ccc(NCc2ccc(F)c(C(F)(F)F)c2)cc1 162550566 QIJSMMCWYYPSPA-UHFFFAOYSA-N 308.278 4.523 30 20 DJED C[C@H](c1nc2ccccc2s1)N(C)CCCC(C)(C)C#N 174811280 RDYZFYYQTIPIEX-CYBMUJFWSA-N 301.459 4.619 30 20 DJED Cc1ccccc1Sc1ccc(C(=O)NCCCCC#N)cc1 178949271 LNYJVGDFYCVQBJ-UHFFFAOYSA-N 324.449 4.570 30 20 DJED C=C(C)[C@@H](NCc1ccc(OC)c(F)c1)c1ccc(F)c(F)c1 187374532 WYWQFDXVSJUVCL-GOSISDBHSA-N 321.342 4.520 30 20 DJED C=CCOCCCC(=O)Nc1c(CCC)cccc1C(C)C 191529036 LNVGVNRODGWAQK-UHFFFAOYSA-N 303.446 4.684 30 20 DJED C=CCN(CCOC)C(=O)Nc1c(C(C)C)cccc1C(C)C 191885432 KIEDWMUTQDFYCE-UHFFFAOYSA-N 318.461 4.600 30 20 DJED N#Cc1ccccc1C(=O)/C=C/c1csc(-c2cccs2)n1 194590542 BNOGCZGXEURIMO-BQYQJAHWSA-N 322.414 4.639 30 20 DJED N#Cc1cccc(CNc2cc(F)ccc2SCC(F)F)c1 237789614 VKESDZJXRZPHSK-UHFFFAOYSA-N 322.355 4.667 30 20 DJED CCN(CCC#N)C(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 429035499 NUGUKEITZGFOST-UHFFFAOYSA-N 323.396 4.555 30 20 DJED C=C[C@](C)(CC)C(=O)N1CC=C(c2c[nH]c3cc(C)ccc23)CC1 442731146 SNICKNDFLGXQHX-OAQYLSRUSA-N 322.452 4.694 30 20 DJED Cc1ccc([C@@H]2OCCC[C@H]2CNc2cccc(F)c2C#N)cc1 463063805 JASIJBSLLDJHDX-JXFKEZNVSA-N 324.399 4.586 30 20 DJED CC[C@@H]1CCCC[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 475372333 VAPPZKINDLVMNL-RTBURBONSA-N 312.457 4.512 30 20 DJED C=C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1cccc2ccccc12 488882453 PBAQHLLKZLYHCV-UXPWSPDFSA-N 305.421 4.510 30 20 DJED N#C[C@@H](NC(=O)CC1=CCCCC1)c1ccc(Cl)c(Cl)c1 505928865 VWUUJZNSVAMEJG-OAHLLOKOSA-N 323.223 4.565 30 20 DJED Cc1ccc(C)c2c(C)c(C(=O)N(C)c3ccccc3C#N)oc12 508078387 MHTASRPQNZGGKB-UHFFFAOYSA-N 318.376 4.506 30 20 DJED N#Cc1ccc(-c2nc(-c3ccc(Cl)s3)no2)cc1Cl 515708364 HUFUCMRJKWFDMB-UHFFFAOYSA-N 322.176 4.644 30 20 DJED CCC[C@@H]1CCCCN1Cc1cccc(OCCCC#N)c1 541784715 GTBNVUBYEYEAAD-GOSISDBHSA-N 300.446 4.524 30 20 DJED C=C(C)COc1cccc(NC(=O)c2cc(F)ccc2Cl)c1 550546575 LUQWLYPJACSXFX-UHFFFAOYSA-N 319.763 4.686 30 20 DJED C=CCN(CCCC(=O)c1ccc(F)cc1)Cc1cccs1 557201509 BHUYQIOKDJKIQR-UHFFFAOYSA-N 317.429 4.538 30 20 DJED Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 593940247 MHXNNWKMGKHLNO-INIZCTEOSA-N 320.436 4.807 30 20 DJED C[C@@H](SCCOc1ccc(C#N)cc1)c1cccc(F)c1 604049926 VFLVVQDEMZZUAI-CYBMUJFWSA-N 301.386 4.571 30 20 DJED C=CC[C@H](CC)NC(=O)N(CCCC)[C@@H](C)c1ccc(C)o1 684929060 CSLGIMNIWZRBDI-HOTGVXAUSA-N 306.450 4.815 30 20 DJED CCCCCCCC(=O)N[C@H](c1ccccc1)c1nccs1 728849170 DBBOCIJTYDDSQG-QGZVFWFLSA-N 316.470 4.709 30 20 DJED CC(C)[C@H](C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 733095681 LWDNMNIOVVLGAO-HNAYVOBHSA-N 306.409 4.573 30 20 DJED Cc1ccc(F)c(/C=C\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 734979415 OWOCDWKURNIGLJ-DAXSKMNVSA-N 319.719 4.592 30 20 DJED CCc1ccc(C(=O)/C=C\c2nc(-c3ccccc3)cs2)o1 752237953 LDWHGQKNCVEQTI-LUAWRHEFSA-N 309.390 4.862 30 20 DJED COc1ccc(Cl)cc1/C=C/C(=O)c1cc(F)ccc1F 757473733 HEQZOIJUGAHKLK-QHHAFSJGSA-N 308.711 4.523 30 20 DJED Cc1ccc(OC(F)F)c(/C=C/C(=O)c2ccc(Cl)nc2)c1 759082904 QWRRABNARLPQAQ-HWKANZROSA-N 323.726 4.541 30 20 DJED N#CC1(OC(=O)c2ccc(SCc3ccccc3)cc2)CCC1 762094600 PMHHAKBDAUPZEY-UHFFFAOYSA-N 323.417 4.582 30 20 DJED C#CC[C@@H](NCc1ccc(Cl)c2cccnc12)c1ccccc1 775398977 CTYNCRGEWMFJTA-LJQANCHMSA-N 320.823 4.742 30 20 DJED O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)c1cscn1 776191451 CYALXLQZHYVSDY-DUXPYHPUSA-N 317.719 4.711 30 20 DJED C=CCC[C@@H](C(=O)OCc1ccc2c(c1)COC2)c1ccccc1 777742764 MJSZYAJPXBJVDG-HXUWFJFHSA-N 322.404 4.510 30 20 DJED C#CCCCCCC(=O)Nc1ccccc1S[C@@H](C)CC#N 779927922 CAMJVDDYKZHZOB-HNNXBMFYSA-N 314.454 4.603 30 20 DJED Cc1cc(/C=C/C(=O)c2cccc(F)c2F)cc2cccnc12 783713942 XHFMDVLXCIBDQF-BQYQJAHWSA-N 309.315 4.718 30 20 DJED Cc1c(C(=O)/C=C/c2csc3ccccc23)cnn1C(C)C 787187629 SZZBMQAZOYNSDL-CMDGGOBGSA-N 310.422 4.883 30 20 DJED C[C@@H](CC(=O)OCCCC(C)(C)C#N)c1c[nH]c2ccccc12 787224809 KAMPZGAKRUTKCU-AWEZNQCLSA-N 312.413 4.535 30 20 DJED CC(C)n1nccc1/C=C\C(=O)c1ccc(-c2ccccc2)o1 794941263 MLJKPSVBLGXTIR-HJWRWDBZSA-N 306.365 4.620 30 20 DJED C=CCC(C)(C)C(=O)OCc1ncc(-c2cccc(Cl)c2)o1 796463497 QRTLSJKHIZLMSX-UHFFFAOYSA-N 319.788 4.641 30 20 DJED C/C(=C/C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)C(C)(C)C 797566253 DBNXDGHIRCMPAP-KGTBHZDVSA-N 304.459 4.609 30 20 DJED CC(C)(C)c1cnc([C@H](C#N)C(=O)C2CCCCCCC2)s1 797567180 ZGVZASNPSHUSQX-CQSZACIVSA-N 318.486 4.977 30 20 DJED CC(C)(C)c1cnc([C@H](C#N)C(=O)CCCC2CCCC2)s1 797570331 FYAORRXNHJOGDE-CQSZACIVSA-N 318.486 4.977 30 20 DJED Clc1cccc(Cl)c1NN=C1CCCc2cccnc21 799110683 AOKXQEHPNCVMKF-UHFFFAOYSA-N 306.196 4.541 30 20 DJED C[C@@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)C1CCC1 838790492 HRLCGUZGASVBRW-BXKDBHETSA-N 318.829 4.562 30 20 DJED CC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C)cc1O 841761766 KWTAJHBFUAGCMI-VQTJNVASSA-N 320.436 4.691 30 20 DJED O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1ccncc1 916136067 FYTJJPRGXVNAAI-FLIBITNWSA-N 315.372 4.557 30 20 DJED CCCOc1ccc(/C=C/C(=O)c2ccc(OC)cc2F)cc1 916141123 AVXYJYGNSYUQBY-IZZDOVSWSA-N 314.356 4.519 30 20 DJED CCOc1cccc2cc(C(C)=NNc3ccc(F)cc3)oc12 916267998 CQXUFYNDEZCXSG-UHFFFAOYSA-N 312.344 4.807 30 20 DJED CCN(CC(C)(C)C)c1cc(C)c(C#N)c2nc3ccccc3n12 1186571548 LKZXFCRWXYHNQP-UHFFFAOYSA-N 320.440 4.540 30 20 DJED COc1cccc([C@@H](C)SCc2ccc(F)c(C#N)c2)c1 1188951882 HHBGHIDQEYSOJM-GFCCVEGCSA-N 301.386 4.700 30 20 DJED C[C@@H]1CC[C@H](C(=O)N(c2ccccc2C#N)C2CCC2)C[C@H]1C 1279123036 VOINQCLJUIPRMP-OAGGEKHMSA-N 310.441 4.516 30 20 DJED Cc1ccc(C[C@H](C)Nc2nc(C)c(C#N)cc2Cl)c(C)c1 1306970733 SKXCBYOEERMBCY-ZDUSSCGKSA-N 313.832 4.575 30 20 DJED CO[C@H]1c2ccccc2C[C@H]1Sc1ccc(Cl)cc1C#N 1307310625 RAENSDUYOOYYIO-SJORKVTESA-N 315.825 4.616 30 20 DJED C=C(Br)CN(CCc1ccccc1)CCC(C)(C)C 1308031257 CEDCTKRYHYLMFS-UHFFFAOYSA-N 324.306 4.876 30 20 DJED COc1cc(CN2CCCCC[C@@H]2c2ccccc2)ccc1C#N 1308614205 OVDAPYOSJAYHLQ-HXUWFJFHSA-N 320.436 4.684 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)Nc1ccc(OCC#N)cc1 1318820639 ZOPKZBJSWXLOLB-INIZCTEOSA-N 314.429 4.524 30 20 DJED N#CC1(CN[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CCC1 1474585256 NOHUWURHASGPOU-CVEARBPZSA-N 322.374 4.625 30 20 DJED CC(C)Cc1ccc([C@H](C)C(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1 1528080782 KFPUFFWGCIOAFQ-VDZJLULYSA-N 313.441 4.614 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)Nc1cc(C#N)ccc1F 1528456554 NGJNDCYKABTEEZ-OAHLLOKOSA-N 302.393 4.632 30 20 DJED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1539250367 RPXPPCGEACWCMI-RISCZKNCSA-N 324.346 4.732 30 20 DJED CCC(CC)C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@H](C)CC2 1544833464 VXQYWZAYXKEDLV-GHMZBOCLSA-N 304.459 4.680 30 20 DJED CC[C@H](C#N)C(=O)N(C)[C@H](c1ccc(Cl)cc1)C1CCCC1 1556417471 WCZKJLCTHQAMER-DYVFJYSZSA-N 318.848 4.579 30 20 DJED Cc1ccc(C[C@@H]2CCCN([C@@H](C)c3cccc(C#N)c3)C2)cc1 1559511134 FMECDNCTDBRMMB-RXVVDRJESA-N 318.464 4.882 30 20 DJED Cc1c(C#N)cccc1C(=O)O[C@@H]1C[C@@H](C(C)C)c2ccccc21 1586468708 JLIFPUFVDGTNJZ-VQTJNVASSA-N 319.404 4.908 30 20 DJED CC(C)Oc1cccc(NC2CC(C#N)(c3ccccc3)C2)c1 1621347944 OKWVZTXSVCDJHO-UHFFFAOYSA-N 306.409 4.510 30 20 DJED CC[C@H](C#N)C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 1628175383 PCVFFLSCDYLDHG-LLVKDONJSA-N 316.763 4.634 30 20 DJED Cc1ccc(COc2cc(Br)ccc2C#N)c(C)c1 1641187557 OOARAZVFBNUQOS-UHFFFAOYSA-N 316.198 4.517 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1cccc(OC(C)C)c1 1641217611 JTAQGAYXSJICAC-UHFFFAOYSA-N 315.800 4.886 30 20 DJED Cc1ccnc(NCC(C)(C)Cc2cccc(Cl)c2)c1C#N 1650870561 LXQXTIPKQJNUGX-UHFFFAOYSA-N 313.832 4.596 30 20 DJED C[C@@H]1C[C@@H](CCNc2nc(Cl)c(C#N)s2)CC(C)(C)C1 1651022694 JAIAPQUKZBZRBN-GHMZBOCLSA-N 311.882 4.933 30 20 DJED C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1Cc1ccc(Cl)cc1C#N 1654572069 CUTHWWOUODJFQX-QEEYODRMSA-N 324.855 4.978 30 20 DJED CCCCN(Cc1ccc(C#N)cc1OC)[C@@H]1CCC[C@@H](C)C1 1654582767 NXHRIFBVNGUIEG-VQIMIIECSA-N 314.473 4.748 30 20 DJED COc1ccc(CNc2cccc(OCC#N)c2)cc1C(C)(C)C 1664234562 VRMBMMCXVCBYBA-UHFFFAOYSA-N 324.424 4.507 30 20 DJED C=C(Cl)CNC(=O)N[C@@H](c1ccc(C(C)C)cc1)C(C)C 1682361043 ZPJAFNMLOXDZBF-MRXNPFEDSA-N 308.853 4.559 30 20 DJED CC(=NNc1ccc(C)cc1Cl)[C@@H]1C[C@H](CC(=O)O)C1(C)C 1776060792 OKIDYMQNIGOMFC-OLZOCXBDSA-N 322.836 4.573 30 20 DJED Cc1c(NN=C[C@H](C)CC2CCCCC2)cccc1C(=O)O 1776087772 VIEBHGXKTKWQQD-CYBMUJFWSA-N 302.418 4.697 30 20 DJED C=CC[C@]1(C(=O)O)CCCN([C@H](C)c2cccc3ccccc23)C1 1776153999 RAPVKPKLNVGLEV-IERDGZPVSA-N 323.436 4.644 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCC(C)(C)c1ccccc1 1776782404 VIZKLOKQZFFGQO-SFHVURJKSA-N 319.489 4.758 30 20 DJED C=CCn1c(S[C@@H](C)C(=O)c2ccccc2)nc2ccccc21 104524128 NKSWNHBNATXESP-AWEZNQCLSA-N 322.433 4.586 30 20 DJED C#CCCCCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 120445660 QZJZQSMMZVFRJY-UHFFFAOYSA-N 304.604 4.779 30 20 DJED C=CCCSc1nnc(SCc2ccc(OC)cc2)s1 128653010 SDAJRBPVYURJRY-UHFFFAOYSA-N 324.496 4.507 30 20 DJED Cc1cccc([C@@H]2CCCN2C(=O)Nc2cccc(C#N)c2)c1C 174443239 SKZAAFBSGSGAOH-IBGZPJMESA-N 319.408 4.544 30 20 DJED CC(C)[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(F)cc1F 181893740 LHDIEKJWJBBFDE-ORAYPTAESA-N 314.379 4.884 30 20 DJED C[C@H](Nc1cccc(Oc2ccccn2)c1)c1cccc(C#N)c1 190713975 WKEDWVIREBGQFM-HNNXBMFYSA-N 315.376 4.919 30 20 DJED CCCCCCCCC[S@](=O)Cc1noc2c1CCCC2 190794906 PLYWXHDIMNWTEK-NRFANRHFSA-N 311.491 4.553 30 20 DJED Cc1ccc(-c2nc(/C=C\C(=O)c3ccc(Cl)nc3)co2)cc1 255746491 QYICYQBNZRWCNK-FPLPWBNLSA-N 324.767 4.595 30 20 DJED CC(C)[C@H](Nc1ncccc1C#N)c1cccc(C(F)(F)F)c1 301199979 WAZMYWMYIUAUKL-HNNXBMFYSA-N 319.330 4.781 30 20 DJED C=CCN(C(=O)c1cccc(Cl)c1Cl)c1ccccc1 301846462 VXDXQZXOCCAEMF-UHFFFAOYSA-N 306.192 4.826 30 20 DJED N#Cc1c(Cl)nsc1Oc1ccc(Cl)c(Cl)c1 301921633 FWJTZUPXWANJIG-UHFFFAOYSA-N 305.573 4.767 30 20 DJED C[C@@H](NCc1c(Cl)oc2ccccc12)c1ccc(C#N)cc1 316903052 KCYIPKSZADWLHP-GFCCVEGCSA-N 310.784 4.809 30 20 DJED Cc1nc([C@@H](C)/N=C(/O)C2(C3CCCCC3)CCCCC2)n[nH]1 329213399 JIUCZZBXXNMRGE-CYBMUJFWSA-N 318.465 4.661 30 20 DJED N#Cc1ccc(NC2CCC(F)(F)CC2)cc1C(F)(F)F 390047056 LNPOIWMDYNNLCY-UHFFFAOYSA-N 304.262 4.567 30 20 DJED C=CCC[C@@H](NC(=O)[C@H]1CCCC(F)(F)C1)c1ccccc1 409981911 VCZHIFWTQHDNLK-JKSUJKDBSA-N 307.384 4.636 30 20 DJED N#CCc1cc(Cl)ccc1NC(=O)C[C@@H]1C[C@H]1c1ccccc1 410972430 UQYSDNNXZBDYIZ-RDJZCZTQSA-N 324.811 4.538 30 20 DJED Cc1nc(N2CC3(CCC3)[C@@H]2c2ccccc2)c(Cl)cc1C#N 432133494 MVVDFQMUPZDCCZ-KRWDZBQOSA-N 323.827 4.647 30 20 DJED Cc1c(Cl)cnc(N2CC3(CCC3)[C@@H]2c2ccccc2)c1C#N 432148015 JOHZKSWIPWYULN-KRWDZBQOSA-N 323.827 4.647 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1c(C)cc(C)nc1C 455509483 GNWOPLOSAPZTRG-UHFFFAOYSA-N 323.440 4.617 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2scnc2C(C)C)CCCC1(C)C 455872380 WJCSOZXCYBHXHV-ZDUSSCGKSA-N 321.490 4.865 30 20 DJED CC#CCCCC(=O)Nc1ccc(SCc2ccccc2)cn1 466653752 JCUBMJQDAJJYLT-UHFFFAOYSA-N 324.449 4.506 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 471173858 UXUMOLNWHSBNEK-IXDOHACOSA-N 304.478 4.524 30 20 DJED CCCOc1cccc(NC(=O)C[C@@H](CC#N)c2ccccc2)c1 474773563 HLKWEMOHFHTVRG-QGZVFWFLSA-N 322.408 4.501 30 20 DJED C=C(C)[C@@H](NCCCCOC(C)(C)C)c1ccc(F)c(F)c1 475314502 QYUPSWHTKIODJI-QGZVFWFLSA-N 311.416 4.767 30 20 DJED CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H]1CCCC[C@H]1C 475607239 YDPVZBMMJVSKGS-CRAIPNDOSA-N 312.457 4.529 30 20 DJED C[C@@H](c1ccccc1F)N(C)Cc1ccccc1C(C)(C)C#N 487391773 GEQCODQWPXNDTF-HNNXBMFYSA-N 310.416 4.820 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1ccccc1SC(C)C 488903259 XGTUDESJRAXWQF-AWEZNQCLSA-N 304.459 4.760 30 20 DJED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)c1cc2ccccc2s1 494905815 FLFMACRNYNLQGF-UKRRQHHQSA-N 314.454 4.712 30 20 DJED COc1cc([C@H](C)Nc2ccc(C#N)cc2)ccc1OCC(C)C 507228046 ZMBOXGZNDYLXGE-HNNXBMFYSA-N 324.424 4.775 30 20 DJED CC[C@H](C)[C@@H](NCc1ccc(C#N)o1)c1ccc(Cl)cc1 538430085 RBAFXWWMRKMJQO-YVEFUNNKSA-N 302.805 4.682 30 20 DJED N#CCc1ccc(CNC2(c3ccccc3)CCCCC2)cc1 543136926 CVMCXRWJBJXJFR-UHFFFAOYSA-N 304.437 4.702 30 20 DJED CC(C)(CCC#N)CNC(=O)N(c1ccccc1)c1ccccc1 557860367 VYGXGNVNDKNGRP-UHFFFAOYSA-N 321.424 4.864 30 20 DJED C[C@H](Sc1cccc(F)c1C#N)c1ncc(C(C)(C)C)o1 571008981 MLJQZAQWNNTKBF-JTQLQIEISA-N 304.390 4.836 30 20 DJED C=CCC[C@H](N[C@H]1CCOC2(CCCCC2)C1)c1ccco1 576287254 FPEGELYAZVOBGH-IRXDYDNUSA-N 303.446 4.758 30 20 DJED C=CCOc1ccc(CN[C@H](C)c2cnc3ccsc3c2)cc1 581326354 WTQSFHNGYVZYJB-CQSZACIVSA-N 324.449 4.712 30 20 DJED C=CCOc1ccccc1CNC(=O)Nc1ccccc1C(C)C 601078845 BFPNMDZKRHQAML-UHFFFAOYSA-N 324.424 4.697 30 20 DJED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(F)c(Cl)c1 611475960 AOHRLGVULRJGKP-GFCCVEGCSA-N 314.791 4.691 30 20 DJED CCN(Cc1ccc2[nH]ccc2c1)[C@H](C)c1ccc(C#N)cc1 615823326 FLOUPSGGPNASFU-OAHLLOKOSA-N 303.409 4.623 30 20 DJED Cc1ccc(-c2cccnc2)cc1N[C@@H](C#N)Cc1ccccc1 619468432 MAERUQUKEDEUDD-HXUWFJFHSA-N 313.404 4.604 30 20 DJED COc1ccc(OC(F)F)c(/C=C\C(=O)c2ccc(C)s2)c1 732925680 CXHFAHJPZDUTHC-XQRVVYSFSA-N 324.348 4.563 30 20 DJED Cc1cccc2nc([C@H](C#N)C(=O)C[C@@H]3CCCCC3(C)C)[nH]c12 752504068 DZXGBQJQPGVYNL-LSDHHAIUSA-N 323.440 4.654 30 20 DJED C#CC[C@H](NC(=O)c1oc2c(C)cccc2c1C)c1ccccc1 757577338 GLPNKTNNQUUMBO-SFHVURJKSA-N 317.388 4.544 30 20 DJED CCNc1ccc(C#N)cc1NCc1ccc(C(F)F)cc1 763394727 XMLQNRJDTNYPGC-UHFFFAOYSA-N 301.340 4.540 30 20 DJED COc1ccsc1C(=O)/C=C\c1cc(C)ccc1OC(F)F 769746678 NUMVAEVIXAOOMI-PLNGDYQASA-N 324.348 4.563 30 20 DJED C#CCCCCC(=O)N1CCC(c2cccc3ccccc23)CC1 773290878 CLONSOQQBKQMAB-UHFFFAOYSA-N 319.448 4.739 30 20 DJED CC(C)(C#N)CCOC(=O)CC(c1ccccc1)c1ccccc1 776361823 JQEVSUDBRHPAAX-UHFFFAOYSA-N 321.420 4.692 30 20 DJED C[C@@H](Nc1cnn(-c2ccccc2Cl)c1)c1ccc(C#N)cc1 777267244 ZGBXAJOHOVNLBP-CYBMUJFWSA-N 322.799 4.570 30 20 DJED COc1cc(C(C)=NOC/C=C/Cl)ccc1SC(F)F 811671887 METXZRIIUVVRAW-HRSYEVPKSA-N 321.776 4.503 30 20 DJED C[C@H](CCC#N)CNc1ccc(CC[C@@H](O)c2ccccc2)cc1 876859089 BLKWDKMTQCRHMO-DYESRHJHSA-N 322.452 4.705 30 20 DJED CC(C)Cc1ccccc1C(=O)O[C@@H](C)c1cccc(C#N)c1 1127021504 JJAPAKIOEBLJMH-HNNXBMFYSA-N 307.393 4.675 30 20 DJED C[C@H](c1ccc(C(=O)Nc2sccc2C#N)cc1)C(F)(F)F 1264107758 FNXLUZYLHRIQNK-SECBINFHSA-N 324.327 4.538 30 20 DJED Cc1ccc(C(=O)O[C@H](C)c2ccc3c(c2)CCCC3)cc1C#N 1266424430 WYSZGFVXCRAJMP-OAHLLOKOSA-N 319.404 4.664 30 20 DJED CC[C@H]1CCCN1CCC(C#N)(c1ccccc1)c1ccccc1 1307470112 CCMQDORKWMNYRY-NRFANRHFSA-N 318.464 4.761 30 20 DJED C=CC[C@H]1CCCN(C(=O)Nc2c(C)cc(Cl)cc2C)C1 1330730547 RMGMCQRNHSDUAC-AWEZNQCLSA-N 306.837 4.777 30 20 DJED CCC(CC)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCC2 1349745183 OAYOVNRYIJBQGH-NSHDSACASA-N 304.459 4.509 30 20 DJED C[C@@H](C#N)N(Cc1cccc(SCc2ccccc2)c1)C1CC1 1460365515 UNKXWDJSVXPQON-INIZCTEOSA-N 322.477 4.855 30 20 DJED CC(C)(CC#N)CN[C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 1462330451 YXWVYBXJNURMGT-ZBFHGGJFSA-N 324.390 4.871 30 20 DJED N#Cc1ccccc1SCc1cc(F)cc(Br)c1 1472990226 SIGLXZZAPRLWJL-UHFFFAOYSA-N 322.202 4.752 30 20 DJED C[C@@H](CCSc1ccccc1)Sc1cccnc1C#N 1473031384 UWJRMROTUMWPJC-ZDUSSCGKSA-N 300.452 4.616 30 20 DJED CC(C)c1ccc(N(C)C(=O)[C@H](C)Cc2ccc(C#N)cc2)cc1 1517684879 ANQMCJXAISXLAZ-MRXNPFEDSA-N 320.436 4.523 30 20 DJED CCC[C@](C)(CC)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1522383062 UAMBBUPGWXMFAY-IBGZPJMESA-N 316.445 4.890 30 20 DJED N#Cc1cc(NC(=O)[C@H]2CCC[C@H]2c2ccccc2)ccc1Cl 1523658426 MBJNZEVENJMEGZ-IRXDYDNUSA-N 324.811 4.734 30 20 DJED CC[C@@H](CC1CCCC1)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 1537067569 IEBHTBITHKMYGH-QAPCUYQASA-N 312.457 4.684 30 20 DJED CCC[C@H](CC)C(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 1537889579 GYYGWEMIQORRFH-AZRLCKCBSA-N 316.489 4.524 30 20 DJED Cc1cc(C#N)cc(NC(=O)C(C)(C)CCCc2ccccc2)c1 1584930181 KVFUJEGMSWZFDO-UHFFFAOYSA-N 320.436 4.854 30 20 DJED CC[C@H](CC1CCCC1)C(=O)N(C)c1ccc(C#N)c(Cl)c1 1596377254 YWOUBBXBGPXOHU-CQSZACIVSA-N 318.848 4.781 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2ccc(-c3cccs3)s2)c1 1597281440 SNEXSJZMOMUYDS-UHFFFAOYSA-N 324.430 4.909 30 20 DJED Cc1cc(CN(CCC#N)CC(C)(C)C)ccc1Br 1641834142 VWRLWFVAXHJRJJ-UHFFFAOYSA-N 323.278 4.519 30 20 DJED CCc1ccc2ccccc2c1CNc1c(C#N)cccc1C#N 1643157283 VZVQJXQONREDAM-UHFFFAOYSA-N 311.388 4.758 30 20 DJED N#Cc1cc(Cl)ccc1CS[C@@H]1CCOc2ccccc21 1643774946 DEBIDETZNOKMRG-QGZVFWFLSA-N 315.825 4.969 30 20 DJED Cc1ccccc1[C@H](Nc1cc(C#N)cnn1)[C@@H]1CCC[C@H](C)C1 1651508536 OSXFJHVBSAOXPC-JNAXZKDPSA-N 320.440 4.636 30 20 DJED Cc1nc(N2C[C@@H](C(C)C)c3ccccc32)c(Cl)cc1C#N 1655440729 OLUGIFYYDLIPEU-HNNXBMFYSA-N 311.816 4.806 30 20 DJED C[C@@H](Nc1cccc(F)c1C#N)c1ccc(C(F)(F)F)cc1 26774945 NTLDSGOEPXZKTI-SNVBAGLBSA-N 308.278 4.889 30 20 DJED CCCCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 75755631 XOOGMVGMFNBWAG-INIZCTEOSA-N 308.425 4.588 30 20 DJED N#Cc1cccc(C(=O)/C=C/c2cnc(-c3cccs3)s2)c1 83535855 VZNPEXRWXPNRBY-VOTSOKGWSA-N 322.414 4.639 30 20 DJED Cc1ccc(C)c2c(C)c(C(=O)Nc3sccc3C#N)oc12 98097632 BAZMXCQLMWTOTL-UHFFFAOYSA-N 310.378 4.544 30 20 DJED C[C@@H](NCCCCC#N)c1ccc(Oc2ccccc2)c(F)c1 178641596 KEZIJHLHGUDYDK-OAHLLOKOSA-N 312.388 4.962 30 20 DJED C[C@H](/N=C(/O)C1CCC(/N=C(/O)C2CC2)CC1)c1cccs1 329999583 UYOKKFPRSYLHKC-XGNXJENSSA-N 320.458 4.691 30 20 DJED CC(C)c1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)s1 354756253 PRFRHRRHAFBZTL-HNNXBMFYSA-N 312.438 4.646 30 20 DJED COc1ccccc1-c1ccc([C@H](C)NCC2(CC#N)CC2)cc1 430744198 NIPRBEUWTLVSQW-INIZCTEOSA-N 320.436 4.707 30 20 DJED C=CCC[C@@H](NC(=O)N(CCC)CC1CC1)c1ccccc1 435759866 JNINGZGPEVDVBY-GOSISDBHSA-N 300.446 4.526 30 20 DJED C=C(C)COc1cccc(NC(=O)N2CCCC(C)(C)CC2)c1 438120240 LNGPDSGJTLEXJZ-UHFFFAOYSA-N 316.445 4.686 30 20 DJED Cc1cccc2cc(C(=O)N[C@H](CCC#N)c3ccccc3)oc12 439657898 IEWGVLOGSSAGRU-QGZVFWFLSA-N 318.376 4.516 30 20 DJED N#C[C@H]1CC[C@@H](Nc2cc(Cl)ccc2OC2CCCC2)C1 442852063 KQSOWPTVOSSWRG-GXTWGEPZSA-N 304.821 4.766 30 20 DJED N#C[C@H]1CC[C@@H](NCC2(c3cccc(Cl)c3F)CCCC2)C1 442860062 RNEOMSTZOPMDAS-UONOGXRCSA-N 320.839 4.573 30 20 DJED C=CCn1c(SCCC(C)(F)F)nnc1-c1ccccc1C 450879205 NHFZCEUKNXYUHV-UHFFFAOYSA-N 323.412 4.577 30 20 DJED Cc1ccc(-c2nc(COc3c(C)cc(C#N)cc3C)cs2)o1 462636369 CZWLZSXICGDCSV-UHFFFAOYSA-N 324.405 4.779 30 20 DJED Cc1cccc(Cl)c1NC(=O)C[C@@H](CC#N)c1ccccc1 476226169 VKLQGCOPQUFDFN-OAHLLOKOSA-N 312.800 4.675 30 20 DJED N#Cc1ccc(C(=O)N2CCC[C@H]2CCC2CCCCC2)s1 488335250 PYGAGUYCXBQGJI-HNNXBMFYSA-N 316.470 4.585 30 20 DJED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cc(Cl)cs1 494942460 XLJKYAKGPJRKQL-IRXDYDNUSA-N 316.857 4.673 30 20 DJED CCCCCn1cc(CNc2ccc(C#N)c(Cl)c2)c(C)n1 502799412 LERPDBCHONJCAY-UHFFFAOYSA-N 316.836 4.519 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)N(C)Cc1ccc(C#N)cc1 510035290 YFBXYHHLURPDIN-IBGZPJMESA-N 312.457 4.513 30 20 DJED C=CCN(Cc1ccccc1)Cc1cc(C)nc2ccccc12 510221572 IMCLWOIBYOHKMG-UHFFFAOYSA-N 302.421 4.731 30 20 DJED C=CCC[C@H](N[C@H]1CCc2c(OC)cccc21)c1ccccc1 537950188 MAQMSDFKNSDCKL-PMACEKPBSA-N 307.437 4.980 30 20 DJED N#Cc1cccc(CNc2ccccc2CCC(F)(F)F)c1F 539309876 WLKNRVWJFAWRGT-UHFFFAOYSA-N 322.305 4.804 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1ccc2nc(C(F)F)sc2c1 553655347 OCFNCJPDSODFEL-HNNXBMFYSA-N 310.369 4.775 30 20 DJED CC[C@@H](C)n1ncc(N[C@@H]2CCc3ccc(C#N)cc32)c1C1CC1 558506098 UFQWPWUYQVIJBT-FZKQIMNGSA-N 320.440 4.703 30 20 DJED Cc1cc(S[C@@H](C)C(=O)Nc2c(C)cccc2C)ccc1C#N 565891963 LHMIVKJWVNEJOT-HNNXBMFYSA-N 324.449 4.603 30 20 DJED N#Cc1ccc(C2=CCN(Cc3ccc4occc4c3)CC2)cc1 579487348 CQNPTKTUJBCWSY-UHFFFAOYSA-N 314.388 4.594 30 20 DJED CC(C)(C)C[C@H](NC(=O)CCCCCC#N)c1ccc(F)cc1 588151711 LFPMHEVCUSSNQX-KRWDZBQOSA-N 318.436 4.893 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 603519075 QCVXJASASSLTFT-RBUKOAKNSA-N 324.468 4.535 30 20 DJED N#CCCn1c(-c2ccccc2C(F)(F)F)nc2ccccc21 610088857 HILWEAFHCJPVJR-UHFFFAOYSA-N 315.298 4.636 30 20 DJED C[C@@H](C(=O)N(Cc1ccco1)c1ccccc1C#N)C1CCCC1 610550381 JZXOEPWKGWLRPQ-OAHLLOKOSA-N 322.408 4.511 30 20 DJED C#Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)c1 731164975 VKHKTPSTUQJGQF-LEWJYISDSA-N 311.384 4.563 30 20 DJED COc1ccc(OC(F)F)c(/C=C\C(=O)c2sccc2C)c1 733748591 CYRYIXKRVYTIOT-HYXAFXHYSA-N 324.348 4.563 30 20 DJED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1ccc(Cl)s1 739426406 UJHVQXDSMWMXLG-GQCTYLIASA-N 307.758 4.514 30 20 DJED CCc1ccc(-c2ccc(C(=O)N(CCC#N)CC(C)C)o2)cc1 742590638 WDFVUEQTOYHLQS-UHFFFAOYSA-N 324.424 4.521 30 20 DJED Cc1ccsc1CCCC(=O)O[C@@H](C)c1ccc(C#N)cc1 748876427 GBJRUWBQPAGZKL-AWEZNQCLSA-N 313.422 4.555 30 20 DJED CCOc1cccc2cc(C(=O)/C=C\c3ccc(C#N)s3)oc12 748997465 DXWBEAISQZRJRN-HJWRWDBZSA-N 323.373 4.661 30 20 DJED Clc1ccc(-c2nc(CON=Cc3cccs3)co2)cc1 749285044 IEJXASLYZOUCAO-UHFFFAOYSA-N 318.785 4.607 30 20 DJED N#Cc1cccc(COc2ccc(-c3ccccc3)cc2C=O)c1 749457483 TUGZMHGUYKUACB-UHFFFAOYSA-N 313.356 4.617 30 20 DJED C#Cc1cccc(NC(=O)Nc2ccc(COC(C)(C)C)cc2)c1 752629328 IEEBFPBIHYEDSI-UHFFFAOYSA-N 322.408 4.627 30 20 DJED COc1ccc(NN=C2CC(c3cccc(Cl)c3)C2)cc1 753930863 XBJWMAVGCVKDAC-UHFFFAOYSA-N 300.789 4.694 30 20 DJED CC(C)(C#N)CNCc1ccc(-c2cccc(C(F)(F)F)c2)o1 757907046 RJHYTZOZYYNRDY-UHFFFAOYSA-N 322.330 4.605 30 20 DJED C#CC[C@@H](N[C@@H](C)c1ccc2ccccc2n1)c1ccccc1 773113847 FUWILDSJQJJKPQ-OXJNMPFZSA-N 300.405 4.650 30 20 DJED Cc1cc(OC(C)C)ccc1N[C@H](C)c1ccc(C#N)c(F)c1 776765534 COURTZJHVIOFAZ-CQSZACIVSA-N 312.388 4.966 30 20 DJED CCc1ccc(/C=C\C(=O)c2ccc(C#N)cc2Cl)s1 788361044 SCVZFEJBGMLOQJ-VURMDHGXSA-N 301.798 4.732 30 20 DJED Cc1ccc([C@H]2CCCCCN2C(=O)c2ccc(C)c(C#N)c2)o1 799339894 YBYQZKUZENVNTD-GOSISDBHSA-N 322.408 4.526 30 20 DJED N#Cc1sc(Oc2ccc(-c3cscn3)cc2)nc1Cl 804533784 JSADFHLMLMVWGZ-UHFFFAOYSA-N 319.798 4.584 30 20 DJED C[C@H]1/C(=C\c2coc(-c3ccccc3)n2)C(=O)c2ccccc21 809159324 NJXXVGJWBSXGDF-VBEHJTROSA-N 301.345 4.725 30 20 DJED Cc1ccc(-c2n[nH]cc2/C=C/C(=O)c2ccc(C)s2)cc1 810232464 GOXHWSXMLMWTRP-CMDGGOBGSA-N 308.406 4.651 30 20 DJED O=C(/C=C\c1ccc2oncc2c1)c1ccc(F)c(Cl)c1 821039864 SZQYYGWFEZHKCK-KTAJNNJTSA-N 301.704 4.516 30 20 DJED CCCC[C@](C)(F)C(=O)Nc1ccccc1SC[C@H](C)C#N 857585927 JDDIFHBSNGWCCO-DYVFJYSZSA-N 322.449 4.795 30 20 DJED C=C[C@H](Cc1nc(-c2ccccc2Cl)no1)c1ccccc1 904569079 UBLBGTGRVGRXAJ-CYBMUJFWSA-N 310.784 4.902 30 20 DJED C[C@@H](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 1124359578 OVAJNOPSESXFJY-LBPRGKRZSA-N 304.821 4.757 30 20 DJED CC1(C)CN(c2ccc(Cl)c(C#N)n2)c2cccc(Cl)c21 1185536094 WZZMXCASEJIPKJ-UHFFFAOYSA-N 318.207 4.689 30 20 DJED CC(C)OC1CC(Sc2ccc(C#N)c(C(F)(F)F)c2)C1 1189050331 QBXDDXVLJSBKNU-UHFFFAOYSA-N 315.360 4.625 30 20 DJED CCCc1cccc(C(C)C)c1NC(=O)c1csc(C#N)c1 1261300429 VMFCFTUCSVUAPR-UHFFFAOYSA-N 312.438 4.948 30 20 DJED Cc1cc(SCc2ccccc2Br)ccc1C#N 1307360880 FQGZUFDQMBLAOT-UHFFFAOYSA-N 318.239 4.922 30 20 DJED C[C@H](CNCc1ccc(C#N)c(Cl)c1)c1cccc(Cl)c1 1308714252 PPOCHRWIDXQCOJ-GFCCVEGCSA-N 319.235 4.758 30 20 DJED C[C@H](CCC1CCCCC1)NC(=O)Nc1ccc(F)cc1C#N 1310386702 YORRGLSQFFYEHL-CYBMUJFWSA-N 317.408 4.568 30 20 DJED C[C@H](C(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@H](C)CC2)C1CCC1 1436547787 UANSWDBCFLJRAS-WOPDTQHZSA-N 316.470 4.680 30 20 DJED Cc1cc(OCc2ncc(-c3cccc(Cl)c3)o2)ccc1C#N 1473025356 XXCXTVLMADBSOB-UHFFFAOYSA-N 324.767 4.754 30 20 DJED CCC(CC)CN(CCC#N)Cc1cc(Cl)ccc1OC 1473203194 ASSGMANACKMFSY-UHFFFAOYSA-N 308.853 4.500 30 20 DJED CC(C)c1ccc2occ(C(=O)O[C@H]3CCC[C@@H](C#N)C3)c2c1 1525049330 UEKKGOAWEWVJDD-HIFRSBDPSA-N 311.381 4.795 30 20 DJED CC[C@@H](C)[C@@H](C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 1537633818 OBHMJPJRFMTXSY-HUUCEWRRSA-N 322.408 4.971 30 20 DJED CC[C@H](C)c1ccc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1 1584414898 DMTSGAJNWJEZKU-HOTGVXAUSA-N 320.436 4.905 30 20 DJED CC[C@H](C#N)N(CC)C(=O)c1ccc(-c2cccc(C(C)C)c2)o1 1585347589 MWZXXSJOHYELPR-QGZVFWFLSA-N 324.424 4.834 30 20 DJED CC[C@@H](Nc1nc(C#N)c(Cl)s1)C(C)(C)c1ccccc1 1642444907 IIQYOEXRNWPQFD-CYBMUJFWSA-N 319.861 4.836 30 20 DJED Cc1nc(N[C@@H]2c3ccccc3CC[C@H]2C)c(Cl)cc1C#N 1650911848 BBSLLJYTBCWWTG-DIFFPNOSSA-N 311.816 4.651 30 20 DJED Cc1cccc(C)c1[C@H]1CCCN1c1ncc(C#N)cc1Cl 1652034951 UHURTLZAYRSPRU-MRXNPFEDSA-N 311.816 4.565 30 20 DJED Cc1ccc([C@@H]2CCC[C@H]2NCc2ccc(C#N)c(Cl)c2)cc1 1652285620 UALNILUGUSNWSR-AZUAARDMSA-N 324.855 4.946 30 20 DJED N#Cc1ccc(OC/C=C/c2ccc(Cl)cc2)c(Cl)c1 1656154634 QOQHDKFPGBMFGJ-OWOJBTEDSA-N 304.176 4.957 30 20 DJED CC1(C#N)CCC(N[C@@H]2CCCc3ccc(Cl)cc32)CC1 1658384946 ZMWKUEVCXGDHAY-IIIMJFFVSA-N 302.849 4.779 30 20 DJED CC1(c2ccccc2)CCC(Nc2cccc(OCC#N)c2)CC1 1664229572 BJUXDGZMYPVWRM-UHFFFAOYSA-N 320.436 4.901 30 20 DJED CCC(=NNc1cccc(C(=O)O)c1C)C1CCC(F)(F)CC1 1776089910 MVOCOOLHPDUWIL-UHFFFAOYSA-N 324.371 4.697 30 20 DJED CCc1c(C(=O)/C=C/c2cccc(C(=O)O)c2)oc2ccccc12 1776956374 XLTSHVYBNIZHIV-ZHACJKMWSA-N 320.344 4.590 30 20 DJED CSc1ccc(CSc2nc(C)cc(C)c2C#N)cc1 5643442 FBCROWQMVBXXFJ-UHFFFAOYSA-N 300.452 4.584 30 20 DJED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccsc3)n2)cc1 41513189 GIMUIFFOSKFBIP-CQSZACIVSA-N 324.430 4.670 30 20 DJED C=CCn1c(SCC(C)C)nnc1-c1ccc(Cl)cc1 47821180 AHIXWBIEHAAIKW-UHFFFAOYSA-N 307.850 4.533 30 20 DJED Cc1cc(C)cc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1 66157791 MLPULDKBVQFXIL-UHFFFAOYSA-N 321.424 4.618 30 20 DJED CC(C)CC(C)(C)C(=O)Nc1ccccc1SC[C@H](C)C#N 84542849 SQAFCXKQBOCSMP-CQSZACIVSA-N 318.486 4.949 30 20 DJED CCN(Cc1ncc(C(C)C)s1)[C@H](C)c1ccc(C#N)cc1 182997216 HFKVKBHRKORHNO-CQSZACIVSA-N 313.470 4.721 30 20 DJED CC(C)Oc1ccc(C(=O)/C=C\c2ccc3ncccc3c2)cc1 212894864 GGYSCULAYFXYGS-SDQBBNPISA-N 317.388 4.918 30 20 DJED O=C(/C=C/c1ccc(SC(F)(F)F)cc1)c1ccncc1 217115729 FHSNRIFLIVTIMM-ZZXKWVIFSA-N 309.312 4.590 30 20 DJED N#Cc1ccc(F)cc1CSc1ccc(Br)cc1 236214776 FLXGHIZCIHZIBF-UHFFFAOYSA-N 322.202 4.752 30 20 DJED COc1ccc2ccccc2c1-c1cc(CON=C2CCC2)on1 272096423 FVDRBESNNFRRMB-UHFFFAOYSA-N 322.364 4.560 30 20 DJED CC(C)(C)[C@H]1CCC[C@H](Nc2cccc(OCC#N)c2)CC1 315884605 LJLGKRUBACAWQN-HOTGVXAUSA-N 300.446 4.996 30 20 DJED C[C@@H]1C[C@@H](C(O)=Nc2cccc(NC3CCCC3)c2)CCC1=O 328957569 OCPHWLJVCCOBJN-KGLIPLIRSA-N 314.429 4.634 30 20 DJED CC1(C)CCCC[C@H]1C/C(O)=N/Cc1noc2c1CCCC2 329488233 YBAZXXMGABRODD-ZDUSSCGKSA-N 304.434 4.616 30 20 DJED Cc1nsc(C)c1C(O)=Nc1nc2c(s1)CCCCCC2 330322419 GUDXEBJQCWWEKF-UHFFFAOYSA-N 321.471 4.512 30 20 DJED C=C(C)CN(CC)C(=O)[C@@H](C)S[C@@H](C)c1cccc(C)c1 437457777 BCSPJDNHVOWEFP-JKSUJKDBSA-N 305.487 4.602 30 20 DJED CCC(CC)CN(CCC#N)Cc1nc(C(C)(C)C)cs1 446781866 ATUKCIKXGFIOEG-UHFFFAOYSA-N 307.507 4.592 30 20 DJED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1Cl 452655950 SUMCCPDTJHRESC-KGLIPLIRSA-N 304.821 4.561 30 20 DJED Cc1cccc(Nc2nnc(S[C@@H](C)CCC#N)s2)c1C 470440689 LGLWDHNVUJDOFB-NSHDSACASA-N 318.471 4.683 30 20 DJED Cc1ccc(SC[C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 471600719 DMBRMNWNTJMDOF-CVEARBPZSA-N 310.466 4.698 30 20 DJED C=C(C)[C@@H](N[C@H](C)c1ccccc1OC)c1ccc(F)c(F)c1 480657413 HDTDCLBKENVTEY-BFUOFWGJSA-N 317.379 4.941 30 20 DJED C=CC[C@@H](C(=O)Nc1nc2ccsc2s1)c1ccccc1 488986720 VLNKMOXGYMICMP-GFCCVEGCSA-N 314.435 4.656 30 20 DJED CC[C@@H](C)CCC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 510356965 UZBLPYPETFGWJK-MFKMUULPSA-N 313.228 4.501 30 20 DJED C=CCCO[C@@H](C)C(=O)N[C@H](CC(C)C)c1ccc(Cl)cc1 525026608 CZAKZXLMEKRDOH-WMLDXEAASA-N 323.864 4.525 30 20 DJED C=CCCOCCCCC(=O)N(C)C1CCC(C(C)(C)C)CC1 538264427 WMERNZPASWSPEA-UHFFFAOYSA-N 323.521 4.813 30 20 DJED C[C@H](NC(=O)C1=CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 541071074 SEPVXWJYMVWOEU-HNNXBMFYSA-N 316.404 4.513 30 20 DJED CSc1ccccc1C[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 541221014 JEELMPHKVCOTTC-GJZGRUSLSA-N 310.466 4.562 30 20 DJED C=CCOc1ccc(CNCc2cc3ccccc3s2)cc1 550228141 ZHMSPVQQNMZRCL-UHFFFAOYSA-N 309.434 4.756 30 20 DJED CC(C)c1ccc2c(c1)[C@H](N[C@H]1CCc3ccc(C#N)cc31)CC2 573452805 YHZDKAOAUVAGLV-FCHUYYIVSA-N 316.448 4.946 30 20 DJED C=C(C)CN(CC)C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 607779814 WHMUJLDCMFWBBL-HUUCEWRRSA-N 312.240 4.522 30 20 DJED C[C@]1(C#N)CCCN(C(=O)Nc2ccccc2-c2ccccc2)C1 612292419 WTTNFNZTQAXYGB-HXUWFJFHSA-N 319.408 4.511 30 20 DJED CN(C)c1ccc(/C=C/C(=O)c2ccc(Cl)s2)cc1F 727653322 JWHYOIIUPAFFCR-GQCTYLIASA-N 309.793 4.503 30 20 DJED C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2CC=CCC2)c1 728247957 BGXWAMJNALGRRK-FQEVSTJZSA-N 315.416 4.557 30 20 DJED C=CCN(C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C)C(C)C 728868188 CSSOLZMXABIGNZ-QGZVFWFLSA-N 324.468 4.751 30 20 DJED CCN(Cc1ccc(OCC#N)cc1)c1cccc2ccccc12 731210854 VFEIPDRGKWTNRC-UHFFFAOYSA-N 316.404 4.769 30 20 DJED O=C1/C(=C\c2coc(-c3ccccc3)n2)CCc2ccccc21 731835741 PAPNQMZSEGICOM-VBKFSLOCSA-N 301.345 4.554 30 20 DJED C=C(Cl)CNC(=S)Nc1ccc(Oc2ccccc2)cc1 735981650 KXTWNIVQYKMKHM-UHFFFAOYSA-N 318.829 4.518 30 20 DJED CC(=NNc1cccc(C)c1)c1cccc(-c2ccncc2)c1 741451127 LEPVOUHGDFKNET-UHFFFAOYSA-N 301.393 4.893 30 20 DJED C=CCN(Cc1cccs1)C(=O)CCCSC(C)(C)C 753915580 ZGRQQVJYGWDSSM-UHFFFAOYSA-N 311.516 4.575 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccc(Cl)cc2Cl)s1 762443819 RMXFDUOAQFMINN-DJWKRKHSSA-N 308.189 4.823 30 20 DJED N#Cc1ccc(NC(=O)/C=C\c2ccc(Cl)cc2)c(Cl)c1 768896518 JKGUVWYFPAUYBP-YWEYNIOJSA-N 317.175 4.517 30 20 DJED Cc1ccccc1[C@@H](Nc1snc(Cl)c1C#N)C1CC1 771202543 BUSMWDGNFMDLKJ-ZDUSSCGKSA-N 303.818 4.540 30 20 DJED CC(=NNc1cc(Cl)ccn1)c1cccc(Cl)c1Cl 777913037 GUHYHBXZXYYSFM-UHFFFAOYSA-N 314.603 4.878 30 20 DJED CC(C)(C#N)CCCOC(=O)Cc1ccc(-c2ccccc2)cc1 782000929 VFUJYJKGAGRHSS-UHFFFAOYSA-N 321.420 4.769 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=S)N[C@H](C)c1ccccc1 794994389 GZVKSUMCTJNWLU-QGZVFWFLSA-N 324.493 4.700 30 20 DJED Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1C#N 799293561 MTXHLACFMYJAJP-UHFFFAOYSA-N 312.372 4.786 30 20 DJED N#CC1(c2ccc(-c3cc4ccccc4o3)cc2)CCOCC1 844232540 QIHHNYCTFVTXSI-UHFFFAOYSA-N 303.361 4.672 30 20 DJED CC[C@@H](C#N)C(=O)N[C@@H](c1ccccc1C)C1CCC(C)CC1 1144715317 FHSUJSIRTXUOQD-VHHHDHQQSA-N 312.457 4.528 30 20 DJED C[C@@H](CCC#N)CN1CCc2cc(Cl)cc(Cl)c2[C@H]1C 1179951580 LDBVVQBCGIIPMA-NWDGAFQWSA-N 311.256 4.852 30 20 DJED C[C@@H](Nc1cc(F)cc(C#N)c1)[C@H](C)c1ccc(Cl)cc1 1183327093 ZRAWGLOSEGKHGA-NWDGAFQWSA-N 302.780 4.955 30 20 DJED CCCN(CCc1ccc(C#N)cc1)[C@@H](CC)c1ccccc1 1190581645 HFTBZDGWCOHICT-NRFANRHFSA-N 306.453 4.964 30 20 DJED Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C#N)cc1 1350460946 XWDJSXNOKZOXEE-UHFFFAOYSA-N 312.372 4.786 30 20 DJED C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1360912672 YJMUZCHDVSJQAD-RYUDHWBXSA-N 324.346 4.732 30 20 DJED N#Cc1cc(F)ccc1CN(C1CC1)[C@@H]1CCCc2ccccc21 1459674251 AICIUBBBSLBNDN-OAQYLSRUSA-N 320.411 4.739 30 20 DJED CCC[C@H](CC1CCCC1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 1459747259 FSIOOYYZEKMYCU-QUCCMNQESA-N 324.468 4.658 30 20 DJED CCC[C@H](C)C(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@H]2C 1460374700 AMHMXQKTOQTKRC-GRYCIOLGSA-N 304.459 4.680 30 20 DJED C[C@@H](CCC#N)CN1CC[C@H](C)Sc2ccc(Cl)cc21 1462304031 JGVCJOCSOWHIGV-STQMWFEESA-N 308.878 4.971 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N(C)c1ccc(C(C)(C)C)cc1 1465798598 FTERIXMXWQFKCO-UHFFFAOYSA-N 321.424 4.833 30 20 DJED N#Cc1ccc2c(c1)CCCN2CCc1ccc2ccccc2c1 1473507975 QVIACDDLRADFLP-UHFFFAOYSA-N 312.416 4.707 30 20 DJED CCOc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1Cl 1527320554 UZZZASDVLIKMKY-UHFFFAOYSA-N 320.820 4.541 30 20 DJED C[C@H](CCC1CCCCC1)NC(=O)[C@H](CC#N)c1ccccc1 1529376596 WUOMMDDJBFRPNV-VQIMIIECSA-N 312.457 4.549 30 20 DJED CC[C@H](C#N)N(C)C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 1530452015 MWKVMDXRMCMJST-MRXNPFEDSA-N 324.424 4.618 30 20 DJED CC[C@@H](CNc1cccc(F)c1C#N)Oc1cccc(Cl)c1 1559130776 VGZBXIMLHARPAH-ZDUSSCGKSA-N 318.779 4.620 30 20 DJED C[C@H]1CCN(Cc2ccc(CC#N)cc2)c2ccccc2S1 1559605767 CWIMTYONLIZLHH-HNNXBMFYSA-N 308.450 4.644 30 20 DJED C=C(Br)CN(CC(C)C)[C@H](C)c1ccccc1C 1617887303 FFODUOKXIWEUOE-OAHLLOKOSA-N 310.279 4.923 30 20 DJED N#Cc1cccc(C#N)c1N1CCc2c(-c3ccccc3)cccc21 1642546388 VEEVACPFJGJVJR-UHFFFAOYSA-N 321.383 4.791 30 20 DJED CC[C@H]1CN(Cc2ccc(C#N)s2)CC[C@H]1c1ccccc1 1644758380 BCHMJUSJWIXFQV-HNAYVOBHSA-N 310.466 4.635 30 20 DJED N#C[C@@H](Cc1ccccc1)Sc1nc2ccc(F)cc2s1 1653077283 OUNLSLWHKLUUMY-CYBMUJFWSA-N 314.410 4.662 30 20 DJED Cc1ccc(C#N)c(NC[C@H](C)c2c(Cl)cccc2Cl)n1 1655069445 YLSQGYGUYMRTCE-JTQLQIEISA-N 320.223 4.784 30 20 DJED CC(C)CCn1cccc1CN[C@@H]1CCCc2cc(C#N)ccc21 1662682047 VWKISUORQFACQS-OAQYLSRUSA-N 321.468 4.573 30 20 DJED O=C(O)c1ccccc1NN=Cc1ccc(C2CCCCC2)cc1 1776032153 PHJRPWAKLPCLNI-UHFFFAOYSA-N 322.408 4.879 30 20 DJED O=C(/C=C\c1ccc(F)c(C(=O)O)c1)c1ccc2ccccc2c1 1776131681 YSAUSIUDHGAVIS-POHAHGRESA-N 320.319 4.573 30 20 DJED C=CC[C@]1(C(=O)O)CCCN([C@H](C)c2ccc(C(C)C)cc2)C1 1776154058 SKTOLMOOKHGOCL-UZLBHIALSA-N 315.457 4.614 30 20 DJED C[C@@H]1CC[C@H](CC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)C1 151699909 UOCDNBHDGJOZGP-IJEWVQPXSA-N 324.449 4.813 30 20 DJED CC(C)n1ccc(CSCc2ccccc2C(C)(C)C#N)n1 178378800 HRDYTPYZGBHYAF-UHFFFAOYSA-N 313.470 4.699 30 20 DJED CCCc1ccc(NC(=O)Nc2ccccc2O[C@H](C)C#N)cc1 183577440 NKNBQWLNZSNARY-CQSZACIVSA-N 323.396 4.574 30 20 DJED C=CCC1(C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)CCC1 191525570 ISNACKBJTGHCRS-UHFFFAOYSA-N 323.440 4.681 30 20 DJED COc1ccc(CNc2ccc(CC#N)cc2)c2ccccc12 194074784 CQKTWCQOOCKVPL-UHFFFAOYSA-N 302.377 4.527 30 20 DJED CC(C)(C#N)CCCC[S@](=O)c1ccc(Cl)c(Cl)c1 232526485 YYWRZHDSMWQSJG-IBGZPJMESA-N 318.269 4.821 30 20 DJED N#Cc1cccc(CNCc2ccc(F)c(-c3cccs3)c2)c1 237746064 UDYPCBKIUWNXOR-UHFFFAOYSA-N 322.408 4.716 30 20 DJED C[C@H]1CC[C@@H](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 246483095 GSUPKAXRJXUNRB-RRFJBIMHSA-N 316.470 4.703 30 20 DJED N#CCC[C@H](N[C@H]1CCc2c(F)ccc(F)c21)c1ccccc1 271477727 IGULEXKBQDKBKV-ROUUACIJSA-N 312.363 4.587 30 20 DJED C[C@](/N=C(/O)[C@@H]1CC12CCCC2)(C(=N)O)c1cccc(Cl)c1 330202059 YUMHVZQOMAEAFK-XJKSGUPXSA-N 320.820 4.627 30 20 DJED CC[C@@H](NCc1cccc(OCCCC#N)c1)c1ccccc1 338953226 JBUAQQCQCLIBGC-HXUWFJFHSA-N 308.425 4.610 30 20 DJED C[C@@H](NCCC1(C#N)CCCCC1)c1ncc(-c2ccccc2)o1 411543643 RSIOMSLMVBNXJK-MRXNPFEDSA-N 323.440 4.856 30 20 DJED Cc1ccsc1[C@@H](Cc1ccccc1)N[C@@H]1CC[C@H](C#N)C1 424318262 CWFVLRGDRWFLQN-RCCFBDPRSA-N 310.466 4.622 30 20 DJED C=CCC[C@H](NC(=O)Nc1sc(C)nc1C)c1ccccc1 435587032 AUNWETOWQGQSGA-HNNXBMFYSA-N 315.442 4.589 30 20 DJED CCC(CC)[C@H](NC(=O)c1cc(C#N)cs1)c1cccs1 437571566 VLANXLJPTJQXLU-HNNXBMFYSA-N 318.467 4.589 30 20 DJED CCC(CC)[C@@H](NC(=O)c1cc(C#N)cs1)c1cccs1 437571570 VLANXLJPTJQXLU-OAHLLOKOSA-N 318.467 4.589 30 20 DJED C[C@@H](c1c(F)cccc1F)N(C)Cc1ccc(C#N)cc1Cl 439449166 IFZSBVIROOARCE-NSHDSACASA-N 320.770 4.683 30 20 DJED CC1(C)CCC[C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 443566740 RVWWOXDMYZUIEJ-MRXNPFEDSA-N 313.445 4.578 30 20 DJED N#Cc1cccc(CN[C@H](c2ccc(F)c(Cl)c2)C2CC2)c1 449449544 LXPNJCZBJXMGDU-SFHVURJKSA-N 314.791 4.592 30 20 DJED C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc(C#N)c1 462294737 GCLLIAJDCFGTAT-SNVBAGLBSA-N 319.191 4.607 30 20 DJED Cc1ccc(C)c(N(C(=O)[C@@H](C)c2cccc(C#N)c2)C(C)C)c1 463727008 NACOBMFPTPAXPC-KRWDZBQOSA-N 320.436 4.720 30 20 DJED CCCC(C#N)(CCC)NC(=O)CCCc1cc(C)sc1C 475752054 ZAPCXQXMRPWSAZ-UHFFFAOYSA-N 320.502 4.666 30 20 DJED C=C(CNC(=O)Nc1cccc(SC)c1C)c1ccccc1 480680540 FBAHIUUVNRCUFH-UHFFFAOYSA-N 312.438 4.552 30 20 DJED C=C[C@@H](CC(=O)N[C@@H](C)CCCC(F)(F)F)c1ccccc1 494900540 KALWIHXHDKISIV-KBPBESRZSA-N 313.363 4.584 30 20 DJED C=C[C@@H](CC(=O)N1CCC[C@@H]1Cc1ccccc1)c1ccccc1 533888790 YLYKIKWJLKDIHG-PZJWPPBQSA-N 319.448 4.580 30 20 DJED C=C[C@H](CC(=O)NC[C@H](CC)c1ccccc1)c1ccccc1 533917915 LOGMTQUALQHNID-MSOLQXFVSA-N 307.437 4.656 30 20 DJED C=C[C@@H](CC(=O)N1CC[C@@H](c2ccccc2C)C1)c1ccccc1 534693996 APERCNKHRVFMOH-AZUAARDMSA-N 319.448 4.671 30 20 DJED C=CCCCC(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 535637344 VVMKRPCCYXBUOB-OAQYLSRUSA-N 319.448 4.711 30 20 DJED Cc1cnc([C@H](C)Nc2ccc(Oc3ccccc3C#N)cc2)o1 537773205 DMZRBEKSVCOITO-AWEZNQCLSA-N 319.364 4.820 30 20 DJED N#Cc1ccc(/C=C/c2ccc(Cl)c(Br)c2)nc1 538418450 IPAXVHLULUQEPZ-DAFODLJHSA-N 319.589 4.540 30 20 DJED C=C[C@@H](Cc1nc([C@@H](C)c2cccs2)no1)c1ccccc1 545020749 UKVVVAPOIZKQHW-KBPBESRZSA-N 310.422 4.795 30 20 DJED CC(C)(C#N)CC[S@](=O)Cc1ccc(C2CCCCC2)cc1 552010693 ZZRRFLYAUWXYKL-QFIPXVFZSA-N 317.498 4.923 30 20 DJED CC(C)c1ccoc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 556555668 ZYCDKIPWJOTUTH-GFCCVEGCSA-N 316.426 4.647 30 20 DJED CC[C@H](NCc1ccc(C)cc1OC(C)C)c1ccc(C#N)cc1 584152615 PJZLXWARSNYJCR-FQEVSTJZSA-N 322.452 4.895 30 20 DJED N#Cc1ccc(F)c(CSCc2nc3ccccc3s2)c1 591009574 XDRXRNMVKYRNOC-UHFFFAOYSA-N 314.410 4.740 30 20 DJED N#CCCCOc1cccc(NC(=O)CCC2CCCCC2)c1 603972423 IJKQEDLQTVOIDB-UHFFFAOYSA-N 314.429 4.668 30 20 DJED Cc1ccccc1COc1c(C)cc(CN(C)CCC#N)cc1C 609673054 LNKNIBBJTZYUAJ-UHFFFAOYSA-N 322.452 4.536 30 20 DJED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cc2c(s1)CCCC2 618806637 QUBMVCKIQUURPD-ACJLOTCBSA-N 322.477 4.837 30 20 DJED CC(=NNc1cccc(C(F)(F)F)n1)c1ccc(Cl)cc1 739421015 BNYQPEGPLXPSLD-UHFFFAOYSA-N 313.710 4.590 30 20 DJED COCc1ccc(/C=C\C(=O)c2c(C)[nH]c3ccccc23)cc1 741846901 DCMVYTFBZXVWMI-QXMHVHEDSA-N 305.377 4.519 30 20 DJED C#CCN(CC)[C@@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1 753160038 AGLZEJUYMCWQMP-NSHDSACASA-N 323.223 4.665 30 20 DJED CC(C)(CC#N)COC(=O)c1ccc(-c2ccccc2Cl)o1 764844920 YTOJYRLJFRSXRK-UHFFFAOYSA-N 317.772 4.697 30 20 DJED CC(C)(C)Nc1ccccc1NCCCOc1ccc(C#N)cc1 766133530 WYEWYXLKQLAARD-UHFFFAOYSA-N 323.440 4.650 30 20 DJED C[C@H](NC[C@@H]1CCC=CO1)c1ccc(-c2cccc(C#N)c2)cc1 775055296 SKJYKWNQHHKPFJ-KKSFZXQISA-N 318.420 4.569 30 20 DJED Cc1c(C(=O)OCCCC(C)(C)C#N)cccc1-c1ccccn1 784363557 MVGDQMBCNGZHRO-UHFFFAOYSA-N 322.408 4.544 30 20 DJED C[C@@H](CCc1ccccc1)OC(=O)C[C@H](CC#N)c1ccccc1 795983968 QQUODZUWCQLRNF-PXNSSMCTSA-N 321.420 4.638 30 20 DJED C[C@H](C#N)OCCS[C@H](C)c1cc(Cl)ccc1Cl 802750950 FJTDMDFXPCGTAY-NXEZZACHSA-N 304.242 4.716 30 20 DJED COc1cc(C(=O)/C=C/c2csc3ccccc23)ccc1O 810223030 BSDSQYRORXQGBH-BQYQJAHWSA-N 310.374 4.512 30 20 DJED O=C(/C=C/c1cscc1C(F)(F)F)c1ccnc(Cl)c1 811695025 ZOZDIKPQAUVWNK-OWOJBTEDSA-N 317.719 4.711 30 20 DJED C[C@@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1CCC1 837344879 WQBKPOPVQGWVNO-QRWLVFNGSA-N 318.420 4.717 30 20 DJED Cn1ncc(C2CC2)c1/C=C\C(=O)c1cc(Cl)cc(Cl)c1 849247680 VSGGMQNJLSMYHY-PLNGDYQASA-N 321.207 4.500 30 20 DJED COc1ccccc1C=NOCc1c(Cl)cccc1Cl 849829611 YZLUUCDWUZCUQF-UHFFFAOYSA-N 310.180 4.553 30 20 DJED CCCOc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1OC 858604389 JOVYNQLIUWIKKN-AWEZNQCLSA-N 310.397 4.529 30 20 DJED CC(=NNc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 916249790 KKTRYFOTMZUXRO-UHFFFAOYSA-N 324.167 4.738 30 20 DJED CC(=NNc1ccc(C)cc1)c1ccc(OCC(F)(F)F)cc1 920479634 SRUQPBGXKFGLEU-UHFFFAOYSA-N 322.330 4.772 30 20 DJED C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 1125470059 MEGHNUBQXLKCNT-GDBMZVCRSA-N 320.392 4.725 30 20 DJED COc1cc2ccccc2cc1CNc1ccc(CC#N)cc1 1177382709 XKJHEHHFQPIHHF-UHFFFAOYSA-N 302.377 4.527 30 20 DJED CCn1c2ccccc2c2cc(Nc3ccc(C#N)cn3)ccc21 1184598684 RFTLAGFUANRPEX-UHFFFAOYSA-N 312.376 4.825 30 20 DJED CCc1nc(C(C)C)ccc1COc1ccc(C#N)cc1Cl 1188474309 YPUCAHKBNAIRKO-UHFFFAOYSA-N 314.816 4.871 30 20 DJED CCCN(CC1CCCCC1)C(=O)Nc1ccc(C#N)c(F)c1 1219030566 DACPVKPYVRGTQS-UHFFFAOYSA-N 317.408 4.522 30 20 DJED Cc1cc(C)c(C#N)c(SCc2cc(Cl)ccc2F)n1 1307247693 HSNYTCWNHRIAAB-UHFFFAOYSA-N 306.793 4.655 30 20 DJED N#Cc1ccccc1-c1ccc(CN2CCCC3(CC3)C2)cc1 1307714131 WYMBRJPUIOTLBV-UHFFFAOYSA-N 302.421 4.601 30 20 DJED Cc1ccc(C(=O)N(c2ccccc2C#N)C2CCC2)c(Cl)c1 1437656766 HVWRJSVKSWSTNE-UHFFFAOYSA-N 324.811 4.719 30 20 DJED CC(C)CC(CC(C)C)C(=O)N1CCCc2cc(C#N)ccc21 1526759298 JRBGSHIXUIBOHW-UHFFFAOYSA-N 312.457 4.546 30 20 DJED CCCCN(C(=O)c1ccc(C#N)cc1F)[C@H]1CCC[C@@H](C)C1 1527350537 CWWUXPQDHJUCOP-ZBFHGGJFSA-N 316.420 4.518 30 20 DJED CC[C@@H](C)CC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1528585365 YYUPVPKCSNAHOD-CVEARBPZSA-N 320.436 4.839 30 20 DJED CC(C)(C(=O)N[C@H]1CCCc2cc(C#N)ccc21)C1CCCCC1 1529287216 OFTMJQWDWSRXJG-IBGZPJMESA-N 324.468 4.658 30 20 DJED Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2csc(C#N)c2)cc1 1530622186 WJGJKWMEFPYOQL-KSSFIOAISA-N 324.449 4.542 30 20 DJED CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(F)cc2C#N)cc1 1532255856 IKDUFKTWKVQSSS-AWEZNQCLSA-N 324.399 4.638 30 20 DJED C[C@H]1CCC[C@@H](Nc2nccc(Oc3cccc(C#N)c3)n2)CC1 1559168467 RWZAQPYKBLCARC-GOEBONIOSA-N 322.412 4.521 30 20 DJED C[C@@H]1CC[C@H](C(=O)N(c2ccc(C#N)cc2)C2CCC2)C[C@H]1C 1586911903 MGBOHXVILWMUBD-INMHGKMJSA-N 310.441 4.516 30 20 DJED CC[C@@H](c1ccccc1)N(C(=O)c1ccc(C#N)cc1)C(C)C 1588017133 OLYRDRUIBLXCPO-IBGZPJMESA-N 306.409 4.560 30 20 DJED COc1ccc(C#N)cc1CN1CCCCC[C@@H]1c1ccccc1 1615363904 YZEUBCDZBMKLFD-HXUWFJFHSA-N 320.436 4.684 30 20 DJED N#Cc1ccccc1N(C(=O)c1cc2ccccc2o1)C1CCC1 1617588286 DXRUGMBSENMHAV-UHFFFAOYSA-N 316.360 4.504 30 20 DJED CCN(Cc1cc2c(C)cccc2[nH]1)[C@@H](C)c1ccc(C#N)cc1 1621174307 VNMXVVINVZRKIW-INIZCTEOSA-N 317.436 4.931 30 20 DJED COCc1ccccc1/C=C(/C)CNc1cc(C)cc(C#N)c1 1651210580 MPMDAEGECOLJEB-SXGWCWSVSA-N 306.409 4.529 30 20 DJED N#Cc1ccc(CSc2nc3cc(F)cc(Cl)c3o2)cc1 1651933778 NDHJACCOEMVLMO-UHFFFAOYSA-N 318.760 4.784 30 20 DJED C[C@@H]1CCCC[C@H]1COc1cc(Br)ccc1C#N 1652879525 UWHQYGQVJGECKV-YPMHNXCESA-N 308.219 4.526 30 20 DJED CCC(CC)N(CC)c1cc(C)c(C#N)c2nc3ccccc3n12 1655528131 FAOWIRVIBVQTJQ-UHFFFAOYSA-N 320.440 4.683 30 20 DJED CC(C)CC1(CNC(=O)Nc2ccc(C#N)c(Cl)c2)CCC1 1667342227 UKINSJNCUXQENY-UHFFFAOYSA-N 319.836 4.550 30 20 DJED CC(C)Oc1ccc([C@@H](C)Nc2snc(Cl)c2C#N)cc1 52356205 WIVZDOHTEXYFND-SNVBAGLBSA-N 321.833 4.628 30 20 DJED Cc1c([C@H](C)N[C@@H](CCC#N)c2ccccc2)cccc1[N+](=O)[O-] 90664992 ZJZSOHXQBGZODH-YJBOKZPZSA-N 323.396 4.599 30 20 DJED COc1ccccc1[C@@H](NCc1cccc(C#N)c1)C1CCCC1 91283996 AAOWQDCLMMGCLJ-NRFANRHFSA-N 320.436 4.588 30 20 DJED C=C(C)CN(CC)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 107075674 PMDFGHOLVRUYMZ-UHFFFAOYSA-N 320.742 4.789 30 20 DJED CC[C@@H](C)CN(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 111766929 JPHMVQUDEJRLLK-KGLIPLIRSA-N 319.474 4.591 30 20 DJED CC1(C)CCC(C(=O)Nc2ccccc2SCCC#N)CC1 134117419 AJTHDASSBBHJQZ-UHFFFAOYSA-N 316.470 4.847 30 20 DJED CCCCCCCC(=O)NCc1csc(-c2ccccc2)n1 163061848 IMNABIKNDABSCU-UHFFFAOYSA-N 316.470 4.787 30 20 DJED CC[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccccc1OC 181575586 AFOHHTTZPFFHJA-OALUTQOASA-N 308.425 4.781 30 20 DJED Cc1ccc(-c2ccc(CN[C@@H](C)c3cccc(C#N)c3)o2)cc1 237563059 ZBHSSFUKUYHXHC-INIZCTEOSA-N 316.404 4.978 30 20 DJED CC[C@H]1CC[C@H](C(O)=Nc2nc(C3CCOCC3)cs2)CC1 329219027 SFTAFYARJINZSP-MQMHXKEQSA-N 322.474 4.842 30 20 DJED CC1(C)C[C@@H](/N=C(/O)c2cccnc2C2CC2)c2ccccc2O1 329615378 DFOYULMHVNGBJJ-MRXNPFEDSA-N 322.408 4.566 30 20 DJED CC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 341711660 PHITWCBBZREDEA-WOJBJXKFSA-N 308.400 4.816 30 20 DJED C=CCC(C)(C)C(=O)N[C@@H](C)CCc1ccc(OC(C)C)cc1 429854965 ZJCGBJLGYBTLLO-INIZCTEOSA-N 317.473 4.513 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1ccc(CNc2ccccc2)cc1 443800917 MSHBKAQLWYSZKQ-FQEVSTJZSA-N 308.425 4.840 30 20 DJED N#Cc1ccc(/C=C\c2nc(-c3coc4ccccc34)no2)cc1 445577779 WXXOAODEYNQUIX-KTKRTIGZSA-N 313.316 4.525 30 20 DJED C=CCCC1(C(=O)N(C)c2nc3cc(Cl)ccc3s2)CC1 484248824 VCGWFTIHKVVETI-UHFFFAOYSA-N 320.845 4.659 30 20 DJED Cc1ccc2sc(C(=O)N[C@](C)(C#N)C(C)(C)C)c(C)c2c1 486141532 CZCAVTZHHFLWFY-GOSISDBHSA-N 314.454 4.576 30 20 DJED CC(C)(C)[C@@H]1C[C@H](Nc2cccc(OCCCC#N)c2)CS1 488339587 OBAFADVBGKPAHF-RDJZCZTQSA-N 318.486 4.701 30 20 DJED C=C(C)CN(CC)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 506048921 GFXRSQJFCAADHJ-SFHVURJKSA-N 318.436 4.665 30 20 DJED N#Cc1cc(F)ccc1CSCCOC1CCCCCC1 524887647 IXWYSBXQYOVYHR-UHFFFAOYSA-N 307.434 4.670 30 20 DJED Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](CCC#N)c1ccccc1 537947332 QXHCWCAMPQNOFA-BEFAXECRSA-N 323.396 4.599 30 20 DJED Cc1ccccc1[C@@H](NCc1ccc(F)c(C#N)c1)C(C)(C)C 538258862 MSVSAJHOODUQCO-LJQANCHMSA-N 310.416 4.883 30 20 DJED N#CCc1ccnc(NCc2ccc(-c3ccccc3)cc2F)c1 547340178 KHZTYLBMVNSNRG-UHFFFAOYSA-N 317.367 4.566 30 20 DJED CCN(C(=O)c1ccc(C#N)c(Cl)c1)c1cccc(Cl)c1 548611017 UUKISFBEVUBHQL-UHFFFAOYSA-N 319.191 4.532 30 20 DJED C=CCC(F)(F)c1nc([C@@H](c2ccccc2C)C(C)C)no1 559998987 IULNIFLWVAURBU-CQSZACIVSA-N 306.356 4.834 30 20 DJED CC(C)[C@H](NCc1ccc(C#N)cn1)c1ccc(C(C)(C)C)cc1 560236576 ZJHQREFOMUDOQH-FQEVSTJZSA-N 321.468 4.738 30 20 DJED CCc1ccc([C@@H](C#N)NC(=O)CC[C@@H](C)c2ccccc2)cc1 568641580 NIXHIDTXPBTUFZ-OXQOHEQNSA-N 320.436 4.514 30 20 DJED Cc1cc2cc(CNC3(c4cccc(C#N)c4)CC3)oc2cc1C 568670020 IQIMPUPRZIWLSO-UHFFFAOYSA-N 316.404 4.700 30 20 DJED N#C[C@@H]1CC[C@H](Nc2cccc(COc3ccc(F)cc3)c2)C1 576074399 FHUNOQZFAZOOKP-KDOFPFPSSA-N 310.372 4.509 30 20 DJED CCCC[C@H](C)N(C)C(=O)c1ccccc1-c1ccccc1C#N 576274590 NMHCIJBYXUBGGG-INIZCTEOSA-N 320.436 4.876 30 20 DJED Cc1ccc(-c2csc(NC(=O)CCCCCC#N)n2)s1 588265184 NYMTTZRAZFJGKR-UHFFFAOYSA-N 319.455 4.593 30 20 DJED CC(C)(C#N)CCCCSc1ccc(-c2ccco2)nn1 593441707 KNTDMZMWXUNEDW-UHFFFAOYSA-N 301.415 4.549 30 20 DJED CCC(C)(C)C1CCC(CC(=O)N2CCC[C@@H](CC#N)C2)CC1 597902196 BRZPEJQAJKNYRV-ADKAHSJRSA-N 318.505 4.771 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCc1ncccc1Cl 600558439 VOOXOCYNXGAZJS-LBPRGKRZSA-N 317.845 4.741 30 20 DJED CCCC[C@H](CC)CC(=O)Nc1sc2c(c1C#N)CCC2 609753557 BSIYNTUYZQBLLV-LBPRGKRZSA-N 304.459 4.653 30 20 DJED CC(C)Oc1ccc(/C=C2\CCOc3ccccc3C2=O)cc1 728442134 XEHVASLISGZPFF-DTQAZKPQSA-N 308.377 4.523 30 20 DJED Cc1cccc2c1C/C(=C/c1ccccc1Br)C2=O 729151681 VQAQYIAPPMDKNA-LCYFTJDESA-N 313.194 4.580 30 20 DJED Cc1ccc(NN=Cc2ccc(Oc3cccnc3)c(C)c2)cc1 732709523 DJOUBCSFUIAADS-UHFFFAOYSA-N 317.392 4.937 30 20 DJED CC(=NNc1nccc2sccc12)c1cnc2ccsc2c1 739412233 WPRPPTHIFZKQID-UHFFFAOYSA-N 324.434 4.742 30 20 DJED C=CCOCCCC(=O)O[C@H](C)c1ccc(Cl)cc1Cl 744067090 KJULVJRFZOGTDU-LLVKDONJSA-N 317.212 4.580 30 20 DJED C=CCN(C(=O)Nc1ccccc1CCC(F)(F)F)C(C)C 757245051 KXGVZVLCLRNXAX-UHFFFAOYSA-N 314.351 4.610 30 20 DJED CC(=NNc1nccc2sccc12)c1csc(C(C)C)n1 768771080 AVCVGOUMNNNYSU-UHFFFAOYSA-N 316.455 4.712 30 20 DJED Fc1cccc(Cl)c1NN=Cc1sc(Cl)nc1Cl 769827462 ZGILPLVZBZUDLG-UHFFFAOYSA-N 324.595 4.688 30 20 DJED CCCCc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)cc1 770482313 QJFLSAMRXSXYIR-INIZCTEOSA-N 308.425 4.932 30 20 DJED C[C@H](C#N)Oc1ccc(CNc2cc(Cl)cc(Cl)c2)cc1 776494403 NPHLVDWCJHKFLK-LLVKDONJSA-N 321.207 4.896 30 20 DJED C#CC[C@H](NCc1ccc(C(F)(F)F)cc1C)c1ccccc1 785541676 VDFDZYDCSVXDQZ-SFHVURJKSA-N 317.354 4.868 30 20 DJED Cc1cc(C)cc(C(=O)/C=C/c2cnc(-c3ccco3)s2)c1 789142989 NEHXZENQVBTKRL-AATRIKPKSA-N 309.390 4.916 30 20 DJED N#C[C@@H](C(=O)CCCC1CCCCC1)c1nc(C2CC2)cs1 842938396 JMZILNBWZPNOFF-HNNXBMFYSA-N 316.470 4.947 30 20 DJED N#C[C@@H](C(=O)CC/C=C\c1ccccc1)c1nc(C2CC2)cs1 842943878 ZRDKYUKEKPWVPR-FAOGRTBUSA-N 322.433 4.690 30 20 DJED CCCCCCCC(=O)Nc1ccc(-c2cnc(C)o2)cc1 913134232 FXCQZDKCGYZOKK-UHFFFAOYSA-N 300.402 4.949 30 20 DJED CC(C)c1ccc(/C=C\C(=O)c2cccc(F)c2)cc1[N+](=O)[O-] 916134784 ZDONUFQTPGXQRJ-CLFYSBASSA-N 313.328 4.753 30 20 DJED CCOc1ccc(C(C)=NNc2cccc(C)c2)cc1OCC 916256425 XZVCCJCZOXITHZ-UHFFFAOYSA-N 312.413 4.629 30 20 DJED CCc1cccc2c(/C=C\C(=O)c3ccc(OC)c(F)c3)c[nH]c12 917613865 SQJPDFIQJDKAIP-CLFYSBASSA-N 323.367 4.774 30 20 DJED C=C(Cl)CS[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 917953793 HADPKYDXMBCJOE-SNVBAGLBSA-N 312.797 4.731 30 20 DJED CCCC[C@@H](C(=O)[C@@H](C#N)c1nc(C(C)C)cs1)C(C)C 1122734668 DSROAEWAZKNNSY-ZIAGYGMSSA-N 306.475 4.905 30 20 DJED CCC[C@@]1(C)CCCN(Cc2cc(Cl)ccc2OCC#N)C1 1167510177 UPNYSETYXTUBOC-SFHVURJKSA-N 320.864 4.645 30 20 DJED CC(C)(C)c1cccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 1188969147 DQTSZQKSHIUTEK-UHFFFAOYSA-N 323.440 4.665 30 20 DJED CC(C)[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 1197131982 IHKIWSAPHQQTEF-TZMCWYRMSA-N 319.836 4.548 30 20 DJED CN(Cc1ccc(C#N)cc1OC(F)F)C1CCC(C)(C)CC1 1307531338 VSEVZXFZWWKZOY-UHFFFAOYSA-N 322.399 4.560 30 20 DJED CC(C)(C)c1ccc(NN=C2CC[C@H]3CCCC[C@H]3C2)nn1 1339230549 LGVCQXMQCHSFNZ-KGLIPLIRSA-N 300.450 4.532 30 20 DJED Cc1ccc([C@@H]2CCCCCN2C(=O)c2cc(C#N)ccc2C)o1 1435263187 IHNUHUZJUUDCBG-SFHVURJKSA-N 322.408 4.526 30 20 DJED CC(C)CCN(CCC#N)C(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 1443570222 DFTFGRCILMLDJU-DLBZAZTESA-N 306.494 4.627 30 20 DJED Cc1cc(SCC(=O)Nc2cccc(C(C)C)c2)ccc1C#N 1459140934 IIENVTSWOFDZQQ-UHFFFAOYSA-N 324.449 4.721 30 20 DJED COc1ccc(C#N)cc1CN1CC[C@@H](CC(C)(C)C)C1(C)C 1460225723 PQSSAOFMVOXQKL-KRWDZBQOSA-N 314.473 4.604 30 20 DJED Cc1cc(CNCC(C)(C)c2ccccc2Cl)ccc1C#N 1473976025 YVJXRPQKCWSZDO-UHFFFAOYSA-N 312.844 4.588 30 20 DJED CC(C)C[C@@H](NC(=O)Nc1sccc1C#N)c1ccccc1 1476828596 VUXABYNBKRTIMJ-OAHLLOKOSA-N 313.426 4.529 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1ccc(C(C)C)c(Cl)c1 1516699628 PKBACFKOHZKKTO-UHFFFAOYSA-N 312.800 4.896 30 20 DJED Cc1ccc(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)cc1C 1522383131 WGPNUYPVKPPKHH-UHFFFAOYSA-N 322.408 4.605 30 20 DJED CN(C(=O)C1CC(C)(C)CC(C)(C)C1)c1ccc(C#N)cc1F 1527778904 MJIDSICAQZYLRQ-UHFFFAOYSA-N 316.420 4.513 30 20 DJED CCCC[C@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C(C)C 1535571834 RVTKDZPCRAIDML-FQEVSTJZSA-N 324.468 4.636 30 20 DJED CCc1nc(C#N)cc(Nc2ccc3c(c2)C(C)(C)CC3(C)C)n1 1559155678 RVNCYHHYCJTJDI-UHFFFAOYSA-N 320.440 4.613 30 20 DJED CC(C)(C)c1ccc(C#N)c(OCc2cc3ccccc3o2)n1 1614548370 PUQXGVCXMNDQDM-UHFFFAOYSA-N 306.365 4.576 30 20 DJED Cc1cc(C#N)ccc1CN1C[C@@H]2CCCC[C@@]21c1ccccc1 1644801753 FYGWEVFIWRXGGO-FCHUYYIVSA-N 316.448 4.768 30 20 DJED C[C@@H](c1cccc(Cl)c1)N(C)c1nc(C#N)c(Cl)s1 1650654675 LXUKUWREJYYJRY-QMMMGPOBSA-N 312.225 4.519 30 20 DJED Cc1nc(N2C[C@@H](C)C[C@@H]2c2ccccc2)c(Cl)cc1C#N 1651830164 NCPNCBAADHGNSL-YVEFUNNKSA-N 311.816 4.503 30 20 DJED CCCN(CC1CCCCC1)C(=O)Nc1cc(C#N)ccc1F 1678266341 LSRQGBYRLGDJDF-UHFFFAOYSA-N 317.408 4.522 30 20 DJED CC1(C)CC(=NNc2ccc(F)c(C(=O)O)c2)CC(C)(C)C1 1776062624 CDAXTWKIMBKBAS-UHFFFAOYSA-N 306.381 4.528 30 20 DJED CC(C)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1 59269896 AOHQRKIOGRVGQP-BJMVGYQFSA-N 302.320 4.648 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)c2cccc(C(F)F)c2)n1 177769016 LTPKBBYGGCXLFK-GFCCVEGCSA-N 320.364 4.694 30 20 DJED Cc1cc(O)c(C(C)C)cc1NC(=O)Nc1cccc(C#N)c1C 190114250 VTIYJQUGCCXJOY-UHFFFAOYSA-N 323.396 4.648 30 20 DJED Cc1ccc([C@H](C)Nc2ccc(C#N)c(Br)c2)s1 228181032 KPVCXZYDSSHYHZ-JTQLQIEISA-N 321.243 4.864 30 20 DJED Cc1noc(C)c1/C=C\C(=O)c1ccc(SC(C)C)cc1 255602250 RYCCHZRDUHBWLJ-KTKRTIGZSA-N 301.411 4.688 30 20 DJED CCOc1cccc([C@@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)c1 271924228 FVGSZEKJDKULDD-KGLIPLIRSA-N 312.388 4.508 30 20 DJED C=C(C)COc1cccc(NC(=O)c2cc3ccc(C)cc3[nH]2)c1 303130393 BTCKKNPKHWCJHK-UHFFFAOYSA-N 320.392 4.684 30 20 DJED CC[C@H](Cc1ccccc1)Nc1cccc(OCCCC#N)c1 322073177 SUQOPVMVADEANW-GOSISDBHSA-N 308.425 4.802 30 20 DJED C[C@@H](Cc1cccc(F)c1)Nc1cccc(OCCCC#N)c1 323367868 DINYRSNFZAHMOI-HNNXBMFYSA-N 312.388 4.551 30 20 DJED CC[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc(C#N)cc1 447573574 IJGAGSRQPMFGDM-HXUWFJFHSA-N 319.408 4.804 30 20 DJED N#C[C@H](NC(=O)c1cccc(C2CCC2)c1)c1ccccc1Cl 462525290 BNAHHGVQKZIEIM-SFHVURJKSA-N 324.811 4.602 30 20 DJED C=CCC(CC=C)C(=O)N1CC[C@@H](c2ccccc2)[C@H](CC)C1 467322705 WFYUOJXPUGDBPM-YLJYHZDGSA-N 311.469 4.797 30 20 DJED CCCCn1ncc(N[C@@H](C)c2cccc(C#N)c2)c1C(C)C 477925287 HWCXSLOHQZSGIM-HNNXBMFYSA-N 310.445 4.851 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1cc(F)ccc1F 484998746 XTKHHLRCUOCNOG-UHFFFAOYSA-N 308.372 4.565 30 20 DJED CC(C)(CCC#N)CN(Cc1ccccc1C(F)(F)F)C1CC1 506601651 LUMOHUOXFWYFJN-UHFFFAOYSA-N 324.390 5.000 30 20 DJED C=C(C)CN(CC)Cc1csc(Cc2ccc(Cl)cc2)n1 509048268 DPKRYLWAYJWKDI-UHFFFAOYSA-N 320.889 4.785 30 20 DJED N#Cc1ccnc(SCCCOc2cccc3ccccc23)c1 515850173 FIKDZKMUMZCHSS-UHFFFAOYSA-N 320.417 4.668 30 20 DJED N#Cc1cccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c1 516327446 AOTXHJCTWXZGLF-UHFFFAOYSA-N 322.383 4.538 30 20 DJED CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 523438480 CBXBZORBAPPISW-WBMJQRKESA-N 319.836 4.644 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccccc1OCC1CC1 524935552 NIKGGZZQRFYJRI-UHFFFAOYSA-N 316.445 4.686 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)C[C@H](C=C)c1ccccc1 533922077 FTHANHQHIORCED-KRWDZBQOSA-N 323.411 4.700 30 20 DJED C=CCCCC(=O)Nc1ccc(Br)cc1C(C)C 534808286 OIXPIRPZVXZQHW-UHFFFAOYSA-N 310.235 4.867 30 20 DJED C=CCN(CC(=O)Nc1c(C(C)C)cccc1C(C)C)C1CC1 536742625 UQVDBAQCMLQXLC-UHFFFAOYSA-N 314.473 4.522 30 20 DJED CC[C@@H](NCc1cccc(C#N)c1F)c1cccc(Cl)c1 538124286 HTZKYBUMKLKYGX-MRXNPFEDSA-N 302.780 4.592 30 20 DJED Cc1ccccc1[C@H](C)c1noc(/C=C\c2ccc(C#N)cc2)n1 546543718 KGZNMLVUJALFHK-SSCKCOOKSA-N 315.376 4.572 30 20 DJED N#CCC[C@H](C#N)CN[C@H](c1cccc(Cl)c1)C1CCCC1 569352496 QTRHNNHAFRIGJQ-KDOFPFPSSA-N 315.848 4.604 30 20 DJED CC1(C)CCc2ccccc2[C@H](NC(=O)CCCCCC#N)C1 588166049 MHBVVKQTBZFTJT-GOSISDBHSA-N 312.457 4.680 30 20 DJED Cc1cccc2[nH]c(CN[C@H](CCC#N)c3ccccc3)cc12 594958333 PWYFOJQZTGDLJA-LJQANCHMSA-N 303.409 4.611 30 20 DJED C[C@H](Nc1ccc(C#N)cn1)C(c1ccccc1)c1ccccc1 603627809 VAUKFDBFJQCOGX-INIZCTEOSA-N 313.404 4.586 30 20 DJED C[C@@H](Cc1ccsc1)Nc1ccc(C#N)cc1C(F)(F)F 609962331 FFSGTHMLZHOINN-JTQLQIEISA-N 310.344 4.682 30 20 DJED C[C@H](NCc1cc(Cl)ccc1Cl)c1cccc(C#N)c1 611080788 DHUDIBDLLKFEIT-NSHDSACASA-N 305.208 4.716 30 20 DJED C[C@]1(C#N)CCCN(C(=O)N(c2ccccc2)c2ccccc2)C1 612152866 FPNHYHXNMPQJFV-HXUWFJFHSA-N 319.408 4.570 30 20 DJED C=CCOc1ccc(CN[C@@H](C)c2cnc(C)s2)cc1Cl 631223880 IBVOXEMIBXXUJK-NSHDSACASA-N 322.861 4.521 30 20 DJED CCCCCCCCOCC(=O)N1CCc2sccc2[C@H]1C 741524910 HUFHWVWUDSLSEV-OAHLLOKOSA-N 323.502 4.571 30 20 DJED Cc1c(C(=O)/C=C/c2ccc(N(C)C)cc2)oc2ccccc12 747139886 QDCGPKGWBKMZLX-JLHYYAGUSA-N 305.377 4.703 30 20 DJED O=C1/C(=C\c2cccc(-c3ccccn3)c2)Cc2c(F)cccc21 747694209 VDFIFFGZEKIQJU-VBKFSLOCSA-N 315.347 4.710 30 20 DJED CC[C@@H](C)Oc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OC 749453696 UTUBZMZGDKUSDA-SWEABUAFSA-N 322.404 4.695 30 20 DJED C[C@@H]1CCC[C@@H](CC(=O)[C@H](C#N)c2ccc3ccccc3n2)C1 750667541 HIWWAXBQSUAKAU-BFYDXBDKSA-N 306.409 4.627 30 20 DJED C=CCCCC(=O)O[C@H](C)c1ncc(-c2ccc(Cl)cc2)o1 751733273 TZIXVTQNNJPMTC-GFCCVEGCSA-N 319.788 4.956 30 20 DJED CCCCCC[C@H](C)CC(=O)Nc1ccc(F)cc1OCC#N 760784511 SNGGHHLZLBSNFN-AWEZNQCLSA-N 320.408 4.663 30 20 DJED CC(C)c1nccnc1NN=C1CCC(c2ccccc2)CC1 773089909 BDSDGXIPMKQFCC-UHFFFAOYSA-N 308.429 4.726 30 20 DJED C[C@@H](C(=O)OCC1(C#N)CCCC1)c1ccc2ccccc2c1 780534748 RDPQNAWCNVTSDM-OAHLLOKOSA-N 307.393 4.570 30 20 DJED C/C=C/C=C\C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782484213 DVJQHDDLOVCUMC-WXMSFRITSA-N 316.404 4.535 30 20 DJED CCSc1ccc(C(=O)/C=C/c2cn(C(C)C)nc2C)cc1 798370417 MDLYTECUQKLSEG-DHZHZOJOSA-N 314.454 4.781 30 20 DJED Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCc1ccc(C#N)cc1 808677293 TUQDLKHEBSRCND-HXUWFJFHSA-N 315.420 4.515 30 20 DJED O=C(/C=C/c1csc2ccccc12)c1cccc([N+](=O)[O-])c1 810195847 FYCOUVDVMCIGMB-CMDGGOBGSA-N 309.346 4.706 30 20 DJED N#C[C@H](C(=O)CC/C=C/c1ccccc1)c1nc(C2CC2)cs1 842943883 ZRDKYUKEKPWVPR-KZJSRBBCSA-N 322.433 4.690 30 20 DJED CCN(C(=O)/C=C(/C)c1cccs1)[C@H](C)c1ccc(C#N)cc1 857136802 RYJFMYVUGJWTQW-IKESIWSLSA-N 324.449 4.633 30 20 DJED N#Cc1nc(S[C@H]2CCCc3ccccc32)ccc1Cl 1185676898 MYXHFBZLKFGOBO-HNNXBMFYSA-N 300.814 4.776 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCC[C@@H]1c1cccc(F)c1 1190426231 DSVGPUWZVPFGLK-GOSISDBHSA-N 314.791 4.688 30 20 DJED Cc1c(Cl)cnc(NC[C@H]2CCCCC(F)(F)C2)c1C#N 1458407282 LUOAWDAPRSNBRK-NSHDSACASA-N 313.779 4.543 30 20 DJED Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)c1ccc(C#N)cc1 1460013173 FRNIPPWRJZIGQV-KRWDZBQOSA-N 320.436 4.726 30 20 DJED C[C@@H](NCCn1ccc2cc(Cl)ccc21)c1ccc(C#N)cc1 1473468519 OTVVQJSWFRYLEZ-CQSZACIVSA-N 323.827 4.517 30 20 DJED CN(Cc1cccc(Cl)c1)c1nc(C(C)(C)C)ccc1C#N 1559049300 XAMHPVAYBIZQFW-UHFFFAOYSA-N 313.832 4.541 30 20 DJED C[C@@H]1CC[C@@H](Nc2c(Br)cccc2C#N)[C@H](C)C1 1559107190 TXWVRNHDVPANGX-JTNHKYCSSA-N 307.235 4.557 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCC[C@@H](c2ccccc2)C1 1559853498 CHYNQZFVIONIKI-LJQANCHMSA-N 318.464 4.867 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)C1 1583559011 BYEJZLMYXWVBTR-DPZWOIPNSA-N 319.404 4.569 30 20 DJED C[C@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1C 1616375563 PJGXJQREAJNSLH-IRXDYDNUSA-N 304.437 4.703 30 20 DJED CC[C@H](c1ccccc1OC)N(C)CCC1(C#N)CCCCC1 1618280704 KOYJNWJLEDHEOA-GOSISDBHSA-N 314.473 4.942 30 20 DJED CCc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ccc(C#N)cc2C)o1 1641887132 HIRBNVXOIHKIRS-YWZLYKJASA-N 322.452 4.995 30 20 DJED COc1ccc([C@@H](C)Sc2snc(Cl)c2C#N)cc1 1655036539 YLMHGBZEDCNZOY-MRVPVSSYSA-N 310.831 4.530 30 20 DJED C[C@H](CCC(C)(C)C)Nc1nccc(Oc2cccc(C#N)c2)n1 1655154790 SKGYLTSZFWZCCW-CQSZACIVSA-N 324.428 4.767 30 20 DJED CC(C)(C)[C@@H]1CN(c2ncc(C#N)cc2Cl)c2ccccc21 1655428419 VCFCOWQXZOWKQR-CQSZACIVSA-N 311.816 4.888 30 20 DJED N#Cc1ccc(CN[C@H]2CCC[C@H]2c2ccccc2)cc1Cl 1664435787 VTUXHSANFRGSPI-HKUYNNGSSA-N 310.828 4.638 30 20 DJED CCCC(=NNc1ccccc1C(=O)O)c1ccc(Cl)cc1 1776029965 VSLZHLONUZMGEV-UHFFFAOYSA-N 316.788 4.655 30 20 DJED Cc1ccc([C@@H](C)C=NNc2ccc(Cl)c(C(=O)O)c2)cc1 1776034115 OFCBWJYXWDLPTJ-LBPRGKRZSA-N 316.788 4.548 30 20 DJED N#CCOc1ccc(NCc2cccc(Cl)c2Cl)cc1 21015991 SOBJCZQAQKIBMB-UHFFFAOYSA-N 307.180 4.508 30 20 DJED CC(C)(C)c1ccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1 41546288 WSBZMIHBNCUOAZ-HNNXBMFYSA-N 318.376 4.615 30 20 DJED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)Cc1ccc(C#N)cc1 63751957 NBDCGZFBTJYVEV-CYBMUJFWSA-N 318.342 4.770 30 20 DJED Cc1nc(-c2cccc(NCc3ccc(C#N)s3)c2)oc1C 121500199 IPPURXYTCVRWIE-UHFFFAOYSA-N 309.394 4.504 30 20 DJED CCCCCCC[S@](=O)Cc1cc(-c2cccs2)on1 133476784 YAMDNUJMWCMSAQ-HXUWFJFHSA-N 311.472 4.622 30 20 DJED CCC[C@@H](NCc1ccc(C#N)cc1F)c1ccc(F)cc1F 178795418 HLKUCIUCVOYWPY-GOSISDBHSA-N 318.342 4.607 30 20 DJED Cc1ccc(CN[C@@H](C)c2cccc(C#N)c2)c(OCC2CC2)c1 181878411 RHBZDSPCZYAOQH-INIZCTEOSA-N 320.436 4.506 30 20 DJED C=C[C@](C)(CC)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 188606265 MCIYCOMCHAUPEA-MGPUTAFESA-N 308.425 4.528 30 20 DJED CCC(CC)CN(CCC#N)Cc1cnc(C2CCC2)s1 353417611 URWCMOOANGRIIV-UHFFFAOYSA-N 305.491 4.562 30 20 DJED CCC[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1 353851549 MEOJGQDKYPDNNR-UXHICEINSA-N 320.436 4.732 30 20 DJED N#CCC[C@@H](Nc1nccc2ccc(F)cc12)c1ccccc1 354889090 RTISCFQINODQMT-GOSISDBHSA-N 305.356 4.831 30 20 DJED CC[C@@H](c1ccccc1)N(CC(C)C)C(=O)CC(C)(C)C#N 429655079 VUKYHQCGUJTJDV-KRWDZBQOSA-N 300.446 4.562 30 20 DJED Cc1c(C(=O)N(C)[C@@H](C)c2ccco2)sc2ccc(C#N)cc12 429801888 BJEOQSUVQXTSFK-LBPRGKRZSA-N 324.405 4.508 30 20 DJED Fc1ccc(C#CCNc2ccc(CCC(F)(F)F)cc2)cc1 433507596 SCDQWKHJRVKFDD-UHFFFAOYSA-N 321.317 4.784 30 20 DJED N#CC1CCC(CN[C@@H]2CCC[C@@H]2CCc2ccccc2)CC1 442872183 HNJCRGUNDQOSIZ-TZWRJOPASA-N 310.485 4.707 30 20 DJED C[C@H](SCc1nc(C2CC2)cs1)c1cccc(C#N)c1 443144703 LHNZYZDRQQRASF-NSHDSACASA-N 300.452 4.887 30 20 DJED CC[C@H](N[C@H]1c2ccccc2CC[C@@H]1C)c1ccc(C#N)cc1 447585110 IDUNAZQYZUTPML-ONGXBYRLSA-N 304.437 4.923 30 20 DJED C=CCCN(C)C(=O)c1cc(-c2ccc(F)cc2)c(C)s1 468192149 LVSKDIZTYBZCKY-UHFFFAOYSA-N 303.402 4.511 30 20 DJED Cc1cccc(Nc2nnc(S[C@H](C)CCC#N)s2)c1C 470440688 LGLWDHNVUJDOFB-LLVKDONJSA-N 318.471 4.683 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(C(F)F)c1 470647895 DBWSTIBVVATCMW-UHFFFAOYSA-N 315.363 4.843 30 20 DJED CC[C@H](C)Sc1ccc(NCc2cc(C#N)n(C)c2)c(C)c1 480310402 RHWKAIGGVQUHEG-AWEZNQCLSA-N 313.470 4.708 30 20 DJED C=CCC[C@@H](C(=O)Nc1cc2c[nH]nc2cc1C)c1ccccc1 481360135 OJJIHXHZCQHNNQ-QGZVFWFLSA-N 319.408 4.560 30 20 DJED C[C@H](c1ccc(C#N)cc1)N(C)Cc1ccc(F)c(Cl)c1 507251590 JDJKZGMLXDFLML-GFCCVEGCSA-N 302.780 4.544 30 20 DJED CC(C)Oc1ccc2ccccc2c1CNc1ccc(C#N)nc1 507757977 WXJMYXYTDFFXKF-UHFFFAOYSA-N 317.392 4.506 30 20 DJED Cc1cc(Cl)c(C(=O)Nc2ccc(C#N)cc2Cl)cc1C 511611240 LWWNPIKEHSHXTB-UHFFFAOYSA-N 319.191 4.734 30 20 DJED CC1(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCCC1 518731806 LAOHXYYKMPTZAC-UHFFFAOYSA-N 320.392 4.869 30 20 DJED C[C@@H](NCc1cc(Cl)cc2cccnc12)c1ccc(C#N)cc1 531912845 ZOIQQQXCPCSTMY-CYBMUJFWSA-N 321.811 4.611 30 20 DJED Cc1cc(C(C)(C)NCCC(C)(C)C#N)ccc1Br 574122049 MKOGCXSSMOEUEC-UHFFFAOYSA-N 323.278 4.522 30 20 DJED N#CC[C@@H]1CCCN(Cc2ccc(-c3ccccc3Cl)o2)C1 597173127 GLWGXAFCURRYHP-AWEZNQCLSA-N 314.816 4.726 30 20 DJED CC(C)(CCC#N)CNC(=O)c1cc2cc(Cl)ccc2s1 597660642 KVKTVGXAUMMDJM-UHFFFAOYSA-N 320.845 4.614 30 20 DJED N#Cc1ccc(CSCc2cc(-c3ccccc3)on2)c(F)c1 603442530 QXIDUKWXIWFQMF-UHFFFAOYSA-N 324.380 4.786 30 20 DJED CCN(C(=O)C[C@H](C)CC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 603956526 VJMFFFNQQZOSPR-HOTGVXAUSA-N 314.473 4.930 30 20 DJED C[C@@H]1C[C@@H](CC(=O)N[C@H](C)c2ccc(C#N)cc2)CC(C)(C)C1 608935408 UDLVBQILJYXQFT-INMHGKMJSA-N 312.457 4.588 30 20 DJED CCCN(C(=O)C1CCCCC1)c1cc(Cl)ccc1C#N 609286249 PQQGAHNVQMKQMN-UHFFFAOYSA-N 304.821 4.535 30 20 DJED CCCC[C@@H](NCc1ccc(C#N)cc1C)c1ccc(OC)cc1 614407744 YLPJSCULQLDOTH-OAQYLSRUSA-N 322.452 4.896 30 20 DJED C=CCCC(C)(C)NC(=O)Nc1ccccc1C(F)(F)F 664470742 GOJBJSYNGFUHCZ-UHFFFAOYSA-N 300.324 4.572 30 20 DJED C=CC[C@@H]1N(C(=O)N[C@H](C)c2ccsc2)CCCC1(C)C 670174245 PTDGDYBGSBPLBH-HIFRSBDPSA-N 306.475 4.585 30 20 DJED Cc1cc(SCc2ccc(OCC#N)cc2)nc2ccccc12 729241368 XMWPXIPWCUDAHP-UHFFFAOYSA-N 320.417 4.738 30 20 DJED CC(=NNc1c(F)cccc1F)c1ccc(-c2ccncc2)cc1 745203575 IDSNNKSGKLZBIL-UHFFFAOYSA-N 323.346 4.863 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)C[C@@H]2CCC[C@@H](C)C2)n1 747194353 YYESKPWJMYTYOQ-MGPQQGTHSA-N 304.459 4.659 30 20 DJED O=C(/C=C\c1ccc(Cl)nc1)c1cccc(Cl)c1Cl 749004975 HGBUBIQOWQVOBU-XQRVVYSFSA-N 312.583 4.938 30 20 DJED C=C(Br)CN[C@@H](Cc1ccccc1)c1cccs1 754366560 JCLNOYKSADIVCC-AWEZNQCLSA-N 322.271 4.530 30 20 DJED CC(=NO[C@H]1CCCCO1)C(c1ccccc1)c1ccccc1 755822770 UOBMPNULFKUKBH-IBGZPJMESA-N 309.409 4.738 30 20 DJED C=C[C@@H](CC(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccccc1 759419528 LJRVKQBUHPVFFX-WBVHZDCISA-N 305.377 4.522 30 20 DJED N#Cc1c(F)ccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1Cl 761479917 XQPJMFDPRYPIMK-ZZXKWVIFSA-N 321.685 4.525 30 20 DJED C#Cc1cccc(NCc2cnc(-c3ccc(C)cc3)s2)c1 766447547 WQNWMSHVFVCEFE-UHFFFAOYSA-N 304.418 4.712 30 20 DJED CC(C)c1ccc(N(C)C(=O)C[C@@H](CC#N)c2ccccc2)cc1 793675132 QAPGKWPRTPMOOC-LJQANCHMSA-N 320.436 4.860 30 20 DJED COc1c(C)cc(C(=O)/C=C/c2cccnc2Cl)cc1Cl 794724890 SXAGWRCXSUZFCX-AATRIKPKSA-N 322.191 4.602 30 20 DJED COc1ccc(C(=O)/C=C/c2ccc(Cl)s2)c(C)c1OC 794740716 UCVAGJFDPIIRJF-QPJJXVBHSA-N 322.813 4.623 30 20 DJED Cc1c(C(=O)/C=C/c2ccc(C(F)F)cc2)cccc1[N+](=O)[O-] 794941797 YMZIRTOPSXOTHF-JXMROGBWSA-N 317.291 4.737 30 20 DJED CC(=NOc1ccccc1C(F)(F)F)c1coc(C(C)C)n1 799482539 OABMJOZIAYLYRP-UHFFFAOYSA-N 312.291 4.620 30 20 DJED Cc1cc(C(=O)/C=C\c2cccc(-c3cccnc3)c2)oc1C 799897421 PDYOSEXMGAHHLP-HJWRWDBZSA-N 303.361 4.855 30 20 DJED CCc1c(Nc2nc(Cl)c(C#N)s2)cnn1C(CC)CC 804648880 MPIHSQFGYQDQKC-UHFFFAOYSA-N 323.853 4.532 30 20 DJED C=CCCCCCCNC(=O)c1c(Cl)cccc1Cl 805220056 FQPODHMQYMJXAT-UHFFFAOYSA-N 300.229 4.860 30 20 DJED N#CCC1(OC(=O)c2ccc(-c3ccc(F)cc3)s2)CCC1 810858690 IEUGGRVBFXPJDX-UHFFFAOYSA-N 315.369 4.547 30 20 DJED CC(C)Sc1cccc(Cl)c1C=NN[C@H](C)C(F)(F)F 834998928 ZCNNJUKSUHAVDB-SECBINFHSA-N 324.799 4.715 30 20 DJED N#CC1(CC(=O)Oc2cccc(-c3ccccn3)c2)CCCCC1 851585267 YHTFFUAFIAXMEB-UHFFFAOYSA-N 320.392 4.518 30 20 DJED C[C@H](/N=C\c1c(O)ccc2ccccc12)c1ccc(C#N)cc1 915113204 QUCMVEIZNUEJEW-CRRPLPBISA-N 300.361 4.597 30 20 DJED CC(C)c1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1Cl 1125889372 GWKBGTHIKLTKMU-UHFFFAOYSA-N 320.864 4.865 30 20 DJED Cc1ccc(SC[C@@H](C)Nc2snc(Cl)c2C#N)cc1 1163083896 LVVWCDSRAJQAMX-SNVBAGLBSA-N 323.874 4.569 30 20 DJED Cc1cc(C)c(C#N)c(SCc2ccc(Cl)cc2C)n1 1164515401 QJSXMODBXINNMI-UHFFFAOYSA-N 302.830 4.824 30 20 DJED CC(C)CC[C@@H]1CCCCN1C(=O)Nc1cc(C#N)ccc1F 1206056765 UYFFWNIRXLSKNN-HNNXBMFYSA-N 317.408 4.520 30 20 DJED CCCCN(C(=O)c1ccc(C#N)cc1F)[C@@H](C)c1ccccc1 1265413603 STBRKTMCXYVTQZ-HNNXBMFYSA-N 324.399 4.701 30 20 DJED C=CCC(F)(F)c1nnc(COc2ccc(C(C)(C)C)cc2)o1 1346637777 GHRUVCVASGEWFL-UHFFFAOYSA-N 322.355 4.614 30 20 DJED CC(C)(C)c1ccc(CCC(=O)O[C@H]2CCC[C@H](C#N)C2)cc1 1436649071 LAHILXUTDGFYFU-WMZOPIPTSA-N 313.441 4.542 30 20 DJED Cc1nc(N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1C#N 1458111845 NCIAKVHDVOPDOF-LJQANCHMSA-N 319.452 4.901 30 20 DJED COc1ccc([C@H](C)SCc2ccc(C#N)cc2OC)cc1 1458920973 KTILNKJWLSCCRH-ZDUSSCGKSA-N 313.422 4.570 30 20 DJED Cc1cc(C#N)ccc1CN(c1ccccc1F)C1CCCC1 1459711311 VGXXRLVQHZMYCE-UHFFFAOYSA-N 308.400 4.955 30 20 DJED Cc1csc(NC(=O)CCc2cccc3ccccc23)c1C#N 1525498294 OXFNRFOUIIIFQE-UHFFFAOYSA-N 320.417 4.653 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)c2cc3cccc(Cl)c3s2)C1 1528488707 BKQLOEOZQUVMPF-PWSUYJOCSA-N 319.813 4.794 30 20 DJED N#CC1(CC(=O)OCc2cc3ccccc3s2)CCCCC1 1544330360 YTYDEQIRZBMBAU-UHFFFAOYSA-N 313.422 4.809 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)CC3CCCC3)c2C#N)[C@H](C)C1 1544383882 OXKALMUNZUZWDJ-NWDGAFQWSA-N 316.470 4.824 30 20 DJED Cc1cc(NC[C@H](C)C(C)(C)C)n2c(nc3ccccc32)c1C#N 1559281165 KFKAZAJHCJXYRY-AWEZNQCLSA-N 320.440 4.762 30 20 DJED CC(C)Oc1ccc2ccccc2c1CN(C[C@H](C)C#N)C1CC1 1616880937 PXJVUJAMGUIXJH-MRXNPFEDSA-N 322.452 4.751 30 20 DJED C[C@@H](Nc1c(Br)cccc1C#N)c1cccs1 1642588924 SDZDOKHXOHVIFV-SECBINFHSA-N 307.216 4.555 30 20 DJED N#Cc1nc(N[C@H]2C[C@H](c3ccccc3Cl)C2)ccc1Cl 1655525586 GEANFIXRDNPWCN-XYPYZODXSA-N 318.207 4.618 30 20 DJED C=C(CNCc1ccc(Oc2ccccc2)o1)c1ccccc1 1655533019 LQJNQFZZZQUONL-UHFFFAOYSA-N 305.377 4.875 30 20 DJED Cc1ccc(C(C)(C)CN(C)Cc2ccc(C#N)c(C)c2)cc1 1658833764 VUUFPATUTTUJHZ-UHFFFAOYSA-N 306.453 4.585 30 20 DJED Cc1cc(F)c(C(F)(F)F)cc1N[C@H](C)CC(C)(C)C#N 1659373825 YSQFIEZPRPMONG-SNVBAGLBSA-N 302.315 4.893 30 20 DJED O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)c1ccc(O)cc1 5769165 WFDWOHPMEOHKNC-PKNBQFBNSA-N 308.308 4.687 30 20 DJED N#Cc1c(NC(=O)/C=C\c2ccccc2)sc2c1CCCCC2 33320136 WMKGKHORUHLHAY-QXMHVHEDSA-N 322.433 4.541 30 20 DJED N#Cc1ccc(CN[C@H](c2ccccc2)c2ccc(Cl)cc2)o1 174244279 HWBBRBAFFBIODI-LJQANCHMSA-N 322.795 4.684 30 20 DJED N#Cc1cc(NCc2ncc(-c3cccs3)o2)ccc1Cl 174295765 FUNJLXAPJCCTDP-UHFFFAOYSA-N 315.785 4.540 30 20 DJED N#CC1(C(=O)Nc2cccc(CCC(F)(F)F)c2)CCCCC1 176971618 ASIJYGPXMHUCOK-UHFFFAOYSA-N 324.346 4.594 30 20 DJED COc1ccc(C#N)cc1CS[C@H](C)c1nc2ccccc2o1 183457606 KXUHXOIWHPCOKO-GFCCVEGCSA-N 324.405 4.702 30 20 DJED C[C@@H](N[C@H](C)c1ccc2c(c1)CCCC2)c1ccc(C#N)cc1 319831629 NFQLFMCCDJVBDX-HZPDHXFCSA-N 304.437 4.849 30 20 DJED CC[C@@H]1CCC[C@H](/N=C(/O)c2ccc3c(c2)N=C(O)C3(C)C)C1 328816768 CXBXZRZVUSPHRH-OCCSQVGLSA-N 314.429 4.839 30 20 DJED O/C(Cc1ccc2c[nH]nc2c1)=N/[C@H]1CCCCC12CCCC2 329747850 SPGRJSJIYLBRQI-KRWDZBQOSA-N 311.429 4.565 30 20 DJED C[C@@H]1CCC[C@@](C#N)(/N=C(/O)CCc2ccc3ccccc3n2)C1 330145499 SHMYAAFUIMUQQQ-FOIQADDNSA-N 321.424 4.596 30 20 DJED C#CCCCC(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 365406695 DVJJEHNZUGUERO-INIZCTEOSA-N 323.358 4.563 30 20 DJED Cc1nc(C(C)C)ccc1CN(C)[C@@H](C)c1cccc(C#N)c1 425536063 OCUYYLZODSYBTF-INIZCTEOSA-N 307.441 4.578 30 20 DJED Cc1ccsc1[C@H](Cc1ccccc1)NCC1(CC#N)CC1 430745276 WLQNJCZNLQUFFQ-KRWDZBQOSA-N 310.466 4.624 30 20 DJED COc1cc(N[C@H](C)c2ccc(C#N)cc2)ccc1C(F)(F)F 448033890 ZFTATIHUXJEMSD-LLVKDONJSA-N 320.314 4.759 30 20 DJED Cc1ccc2sc(C(=O)Nc3ccccc3CC#N)cc2c1 464495744 PTTXTMHRKUJGHZ-UHFFFAOYSA-N 306.390 4.528 30 20 DJED CCC(C)(C)c1ccc(NC(=O)c2ccc(CC#N)cc2)cc1 468735717 UBXMASLMVDPAOJ-UHFFFAOYSA-N 306.409 4.693 30 20 DJED CC(C)Sc1c(Cl)cccc1NC(=O)CC(C)(C)C#N 469463739 ZGQPQLSHCIFYBX-UHFFFAOYSA-N 310.850 4.719 30 20 DJED C[C@H](CC1CCCCC1)NC(=O)c1ccc(C(C)(C)C#N)cc1 477103344 UBMJBXMLBSJDKN-OAHLLOKOSA-N 312.457 4.576 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CSc2ccccc21 481667167 GTSYPVUCYLVJSI-MOPGFXCFSA-N 320.461 4.762 30 20 DJED CC(C)(C#N)c1ccc(C(=O)Nc2cc(F)cc(Cl)c2)cc1 483851738 QLQVTEYEFKMHEB-UHFFFAOYSA-N 316.763 4.533 30 20 DJED C=C(C)COc1cc(CNc2ccc(C)c(C)c2)ccc1OC 489042914 ZBGBTDPBKAUFTO-UHFFFAOYSA-N 311.425 4.879 30 20 DJED N#Cc1cccc(C2(NC/C=C/c3ccc(Cl)cc3)CC2)c1 513527368 SHLSIBLYOXMZGF-DUXPYHPUSA-N 308.812 4.504 30 20 DJED COc1ccc(F)cc1[C@@H](C)Nc1ccc(C#N)c(Cl)c1 518906098 WCAMANLFVXQQAL-SNVBAGLBSA-N 304.752 4.532 30 20 DJED N#C[C@H](C(=O)c1cccc(C2CCC2)c1)c1nc2ccccc2o1 547387045 SWSIWIRJLYYSGN-MRXNPFEDSA-N 316.360 4.585 30 20 DJED CC(C)(CC#N)CSc1nnc(-c2cccc3ccccc23)o1 579253589 YINSBSJPIHKTOD-UHFFFAOYSA-N 323.421 4.922 30 20 DJED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@H](C)CC(C)(C)C 604486374 YUORXCYQXDXFRV-INIZCTEOSA-N 312.457 4.535 30 20 DJED C[C@H](NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1)c1ccc(C#N)cc1 608935407 UDLVBQILJYXQFT-HLLBOEOZSA-N 312.457 4.588 30 20 DJED CC(C)(C)[C@](C)(C#N)NC(=O)c1cc2c(Cl)cccc2s1 613365909 VZJFVODUSGRHMY-INIZCTEOSA-N 320.845 4.613 30 20 DJED CCCc1ccc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1 618806286 QJFKWSZATBJYIM-BTYIYWSLSA-N 304.437 4.849 30 20 DJED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(OC(C)C)cc2C)C1 665793597 KCVMDJYEDABVJG-MRXNPFEDSA-N 316.445 4.602 30 20 DJED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1cc2ccccc2o1 739426827 WHKHRSVXHPEAHH-CMDGGOBGSA-N 307.305 4.546 30 20 DJED CCCCCC[C@@](C)(CC)C(=O)Nc1cccc(OCC#N)c1 742548903 MYPZRHNLYOTFQM-LJQANCHMSA-N 316.445 4.914 30 20 DJED N#CCOc1cc(F)ccc1N[C@@H]1CCCCc2ccccc21 760219321 LJCVDJOXQCWJPN-QGZVFWFLSA-N 310.372 4.608 30 20 DJED O=C(/C=C\c1ccc(C(F)(F)F)s1)c1cccc(F)c1F 761481867 YVLPWJRWEYJWEL-XQRVVYSFSA-N 318.266 4.941 30 20 DJED CC[C@@H](N[C@H](CC)c1ccccc1OC)c1ccc(C#N)cc1 774124274 VEUZSHPXKNBISO-RTBURBONSA-N 308.425 4.759 30 20 DJED O=C(O)c1csc(/C=C/C(=O)c2ccc(-c3ccccc3)o2)c1 782207303 NFBKQEGEZDDNTO-VOTSOKGWSA-N 324.357 4.602 30 20 DJED CC[C@@](C)(C#N)C(=O)O[C@H](C)c1cc(Cl)ccc1Cl 797173522 WOCQQBGQRZCFQW-OTYXRUKQSA-N 300.185 4.537 30 20 DJED C[C@@H]1C[C@H](c2ccccc2)N(Cc2ccc(O[C@H](C)C#N)cc2)C1 809715476 INGGUGVLZGCSII-CBGDNZLLSA-N 320.436 4.561 30 20 DJED CSc1ccc2c(c1)CC/C(=C/c1cccc(F)c1C#N)C2=O 811689853 NNXCVCMWRIKLEK-ZROIWOOFSA-N 323.392 4.632 30 20 DJED C=CCC[C@@H](NC(=O)OCc1ccccc1C)c1ccccc1 859073893 POLIGRCZEKJUDT-LJQANCHMSA-N 309.409 4.929 30 20 DJED CCCOc1ccc(/C=C/C(=O)c2cccc(C)c2)cc1OC 916153377 PAJHRVNVOJHLJG-CSKARUKUSA-N 310.393 4.689 30 20 DJED COc1cc(C#N)cc(Cl)c1OC(=O)C[C@@H](C)CC(C)(C)C 917601188 LSAHGUBGEWKFCS-LLVKDONJSA-N 323.820 4.588 30 20 DJED C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1ccc(-c2ccncc2)cc1 925196482 MWPYMHXRMKDPNN-HOTGVXAUSA-N 307.441 4.728 30 20 DJED Cc1ccc2c(c1)CCN2c1c(C#N)cnc2c(Cl)cccc12 1163225209 ROGFLUJMJMISJU-UHFFFAOYSA-N 319.795 4.763 30 20 DJED N#Cc1ccc(CCSc2nc3cccc(F)c3s2)cc1 1189994654 LDCKDRFGQUZROF-UHFFFAOYSA-N 314.410 4.642 30 20 DJED Cc1c(C#N)cccc1NC(=O)N(C)c1cccc2ccccc12 1201830508 MJRGNKZSMLONEN-UHFFFAOYSA-N 315.376 4.688 30 20 DJED Cc1ccnc(NCC2(c3ccccc3)CCCCC2)c1C#N 1306922512 UQKYGXPVJCOCQD-UHFFFAOYSA-N 305.425 4.576 30 20 DJED CC(C)(C)ON=C(Cc1c(F)cccc1Cl)c1ccoc1 1324208097 XERFLAZJECTJTP-UHFFFAOYSA-N 309.768 4.834 30 20 DJED CN(C(=O)[C@H](CC#N)c1ccccc1)c1ccc(C(C)(C)C)cc1 1355840578 RDLMZNZUXNRFFA-LJQANCHMSA-N 320.436 4.644 30 20 DJED CC(C)CC1(CNC(=O)CC2(C#N)CCCCC2)CCCC1 1457677345 SXXDGPYNPXWNMP-UHFFFAOYSA-N 304.478 4.573 30 20 DJED Cc1cc(N[C@@H](c2ccccc2)C2CCCCC2)ncc1C#N 1458111255 RKGXKJNATDRYAI-FQEVSTJZSA-N 305.425 4.995 30 20 DJED N#CC1(CCN[C@@H]2CC3(CCC3)Oc3ccccc32)CCCCC1 1460749607 TXOVNKRDEVHFQA-GOSISDBHSA-N 324.468 4.887 30 20 DJED C[C@H]1CCC[C@H](OCc2cccc(Nc3ncccc3C#N)c2)C1 1472675274 SVVZDTSLRCXIQM-KXBFYZLASA-N 321.424 4.792 30 20 DJED Cc1cc(CN[C@@H]2CC=C(c3ccc(F)cc3)CC2)ccc1C#N 1474087382 UJKOPEHBHSIKOE-OAQYLSRUSA-N 320.411 4.732 30 20 DJED CCc1ccccc1C(=O)Nc1sc2c(c1C#N)CCCCC2 1523655622 DONWGNOAMBJDTD-UHFFFAOYSA-N 324.449 4.703 30 20 DJED CC(C)[C@@H]1C[C@@H](OC(=O)C2(C#N)CCCCC2)c2ccccc21 1525119073 LICMZZXWIHXYHM-ZWKOTPCHSA-N 311.425 4.888 30 20 DJED CC(C)Cc1ccccc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 1531747267 HCKXBQXLHUZUIE-HNNXBMFYSA-N 307.393 4.675 30 20 DJED CSc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1Cl 1531959541 NZLDDDNYGYNLIG-UHFFFAOYSA-N 322.861 4.865 30 20 DJED CCC(CC)Oc1ccc([C@@H](C)OC(=O)[C@](C)(C#N)CC)cc1 1542060751 MPVPPPPWGJNXTE-KUHUBIRLSA-N 317.429 4.798 30 20 DJED C=C(CNCc1cnc(-c2ccccc2F)s1)c1ccccc1 1620773354 YPMMZUALVNNLEN-UHFFFAOYSA-N 324.424 4.752 30 20 DJED N#Cc1c(COc2c(Cl)cccc2Cl)cn2ccccc12 1643473871 RCDNSHBQFJNING-UHFFFAOYSA-N 317.175 4.697 30 20 DJED Cc1ccc(COc2c(C#N)cnc3ccc(C)cc23)c(C)c1 1652856333 SMYAVAXOGSKUOI-UHFFFAOYSA-N 302.377 4.611 30 20 DJED Cc1cc(C)cc(Oc2ccc(Nc3cc(C#N)ncn3)cc2)c1 1655007878 PJSAWZCMADQFMF-UHFFFAOYSA-N 316.364 4.501 30 20 DJED Cc1ccc(C#N)cc1NCc1ccc(OC(F)F)c(Cl)c1 1658086958 OXBQGARIYWXGOO-UHFFFAOYSA-N 322.742 4.734 30 20 DJED CC(C)(CC#N)CN[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 1664967211 WZSGBPUFMCFHJF-NVXWUHKLSA-N 304.865 4.896 30 20 DJED N#Cc1ccc(CNC2CCC(C3CCCCC3)CC2)cc1F 1665004992 PJKAJGNFEPJXBS-UHFFFAOYSA-N 314.448 4.926 30 20 DJED CC1(C)CCC(C=NNc2ccc(Cl)c(C(=O)O)c2)CC1 1776033463 LYQGDOZDNUPMFX-UHFFFAOYSA-N 308.809 4.652 30 20 DJED CC(CCCCCCC(=O)O)=NNc1ccc(Cl)cc1C 1776104826 ZXKJWWHBSRVEHM-UHFFFAOYSA-N 310.825 4.861 30 20 DJED C=CCCCCN(C)Cc1c(C(=O)O)sc2cccc(F)c12 1776174986 YPCNUNMBSFWIQR-UHFFFAOYSA-N 321.417 4.527 30 20 DJED O=C(/C=C/c1coc(-c2ccccc2)n1)c1cc2ccccc2o1 109707437 CUEFHQKCCPDMHO-ZHACJKMWSA-N 315.328 4.984 30 20 DJED CCc1ccc([C@H](C)C(=O)N[C@@H](CCC#N)c2ccccc2)cc1 153254152 BWSJXPYXKNIJOT-JXFKEZNVSA-N 320.436 4.514 30 20 DJED Cc1c(Cl)cccc1NCc1ccc(O[C@@H](C)C#N)cc1 157736177 CNFYFFSEEKMGBL-LBPRGKRZSA-N 300.789 4.551 30 20 DJED CO[C@H](C)c1nc(CS[C@H](C)c2cccc(C#N)c2)cs1 190804819 IZTIDOKQZMJMMK-VXGBXAGGSA-N 318.467 4.717 30 20 DJED C=C(C)[C@H](N[C@@H]1CCCc2occc21)c1ccc(F)c(F)c1 193302626 DZUUNBVCRRTWQQ-AEFFLSMTSA-N 303.352 4.842 30 20 DJED CC(C)Oc1ccc(/C=C\C(=O)c2ccc(F)cc2F)cc1 206964332 LZBWHJVIUYBZLS-YHYXMXQVSA-N 302.320 4.648 30 20 DJED N#CCC[C@H](N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 249206441 WCEVBJFKEQVECO-PMPSAXMXSA-N 310.363 4.742 30 20 DJED CC[C@H](SCCCC1(C#N)CCOCC1)c1ccccc1 281083347 WRQLMDGROABPNQ-KRWDZBQOSA-N 303.471 4.971 30 20 DJED Cc1ccc([C@@H]2CCCN2c2c(F)cc(C#N)cc2F)s1 301293084 OFMLUIVCEUMXJV-AWEZNQCLSA-N 304.365 4.548 30 20 DJED CCOc1ccc(CNc2ccc(C#N)cc2C(F)(F)F)cc1 319727009 QLOHWNZVGHZWKV-UHFFFAOYSA-N 320.314 4.588 30 20 DJED C[C@@H](Nc1ccc(OCC#N)cc1)c1ccc2c(c1)CCCC2 319992210 KVLNMCIXPWWDQT-OAHLLOKOSA-N 306.409 4.641 30 20 DJED CC(C)(C)C1CCC(C#N)(/N=C(/O)[C@@H]2CCCSC2)CC1 329843809 XMSXOWHXMPCDLD-TUBUQKNSSA-N 308.491 4.585 30 20 DJED Cc1ccc(C(=O)Nc2sc(C(C)(C)C)cc2C#N)s1 411004280 CDSAARKHMHYKGQ-UHFFFAOYSA-N 304.440 4.540 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)C2(C(F)(F)F)CCCC2)cc1 414863304 ITIFDJZLKPAGFH-UHFFFAOYSA-N 324.346 4.549 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1cnc(C(C)(C)C)s1 425368937 YLZXGWMJECYJGC-CYBMUJFWSA-N 313.470 4.505 30 20 DJED C[C@@]1(c2ccccc2)CC[C@@H](N(CCC#N)Cc2ccco2)C1 437595522 YYGYXGJVIYKVHC-UYAOXDASSA-N 308.425 4.506 30 20 DJED C=C(C)CN(C)C(=O)NCc1sc2ccc(Cl)cc2c1C 441002113 JDTGSNJIPRAYLC-UHFFFAOYSA-N 322.861 4.581 30 20 DJED C=CC[C@@H]1N(C(=O)c2cnc(C(C)(C)C)s2)CCCC1(C)C 443867369 KGHXFYVJNLIYEH-AWEZNQCLSA-N 320.502 4.648 30 20 DJED C=CCN(C(=O)C[C@H](C)CC)c1nc(-c2ccccc2)cs1 485623242 RVTDHBMLIBDMRJ-CQSZACIVSA-N 314.454 4.765 30 20 DJED CCCCN(C(=O)c1sccc1C#N)[C@@H](C)c1ccccc1 497986615 QPKGBSJFSBMZQY-AWEZNQCLSA-N 312.438 4.623 30 20 DJED C=CCN(CCc1ccccc1)C(=O)Nc1ccccc1CCC 520128736 JBOPEZDSYUDISF-UHFFFAOYSA-N 322.452 4.902 30 20 DJED C=CCCCCCN(C)C(=O)N[C@H](C)c1cccc(OCC)c1 523518069 JVSUNKQQVUMARK-MRXNPFEDSA-N 318.461 4.534 30 20 DJED N#Cc1cc(NC(=O)c2cccc(-c3ccoc3)c2)ccc1Cl 535502777 QTTIUCRLFCIYNC-UHFFFAOYSA-N 322.751 4.724 30 20 DJED COc1ccccc1-c1ccc(CN(CC#N)C2CCCC2)cc1 538719080 KLAOEGSRJSKHFZ-UHFFFAOYSA-N 320.436 4.630 30 20 DJED C=CCC[C@@H](NCc1cc(OC)nc2ccccc12)c1ccco1 552243592 FGNUGZWUFOFPJZ-GOSISDBHSA-N 322.408 4.634 30 20 DJED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1Cl 552969332 MXLZDHBOBIEHMC-YJYMSZOUSA-N 310.828 4.940 30 20 DJED C=CCC[C@H](N[C@@H]1CCO[C@@H](C(CC)CC)C1)c1ccco1 560550023 SUUQPFHXQBCMRL-ZIFCJYIRSA-N 305.462 4.860 30 20 DJED C=CCC1(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)CCC1 561100939 KINLHWSIFFENJJ-UHFFFAOYSA-N 306.409 4.742 30 20 DJED CSc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)s1 562200203 QBXBYIHNNRIWSO-UHFFFAOYSA-N 314.479 4.506 30 20 DJED CSc1ccc([C@@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cc1 580681764 ZGLRNDAUMQARJD-BFUOFWGJSA-N 308.450 4.618 30 20 DJED N#Cc1ccccc1C(=O)/C=C\c1csc(-c2cccs2)n1 588618037 BNOGCZGXEURIMO-FPLPWBNLSA-N 322.414 4.639 30 20 DJED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC[C@@H](C)CCC#N 602536247 SFFUSEPGUPDUIH-UONOGXRCSA-N 313.470 4.709 30 20 DJED CC(C)CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604456731 RKPATNIZTKTRKN-UHFFFAOYSA-N 308.381 4.725 30 20 DJED C[C@@H](N[C@@H]1CCCc2ccc(Cl)cc21)c1cccc(C#N)c1 611193007 GVZNOFPVKAEAKI-BFUOFWGJSA-N 310.828 4.940 30 20 DJED Cc1cc(C)c(NC(=O)c2ccc(Cl)c(C#N)c2)c(Cl)c1 612438459 PJZXPPODBYPXOR-UHFFFAOYSA-N 319.191 4.734 30 20 DJED Cc1cc(C)c(C=NNc2ccc(OC(F)F)cc2)c(C)c1 726429432 OFAVKDPNRWELLZ-UHFFFAOYSA-N 304.340 4.659 30 20 DJED C=C(C)CN(CC)C(=O)Nc1nc(C)c(-c2ccccc2)s1 727838542 CPYLOBVGLJLSMY-UHFFFAOYSA-N 315.442 4.548 30 20 DJED C#Cc1cccc(N(CC)C(=O)c2ccc(Cl)cc2Cl)c1 728481225 QHEIBLIQTJCTIK-UHFFFAOYSA-N 318.203 4.641 30 20 DJED O=C1/C(=C\c2ccc3ncccc3c2)Oc2ccc(Cl)cc21 729151039 NDLMYFGTUUFABY-RQZCQDPDSA-N 307.736 4.504 30 20 DJED CCc1oc2ccccc2c1/C=C/C(=O)c1ccc(C#N)cc1 730568055 BAVCLEGBJGYOEF-VAWYXSNFSA-N 301.345 4.763 30 20 DJED COc1ccc(Cl)cc1C(=O)/C=C/c1cc(C)c(O)c(C)c1 730585586 ZBBGGGCMPQWLHF-GQCTYLIASA-N 316.784 4.567 30 20 DJED CCOc1ccc(/C=C/C(=O)c2cccc(C)c2C)cc1OC 734305349 RGZDPCHLEBIALX-PKNBQFBNSA-N 310.393 4.607 30 20 DJED CC[C@H]1CCCC(=NNc2ncnc3sc4c(c23)CCC4)C1 734977377 PRORKJVENFXDCT-NSHDSACASA-N 314.458 4.548 30 20 DJED Oc1c(Cl)cc(Cl)cc1/C=N\[C@@H]1CSc2ccccc21 735414981 OZYYWXHFLNSDTB-OABKPEDSSA-N 324.232 4.965 30 20 DJED CCCCCCCC(=O)NC[C@@H](OC)c1cccc(Cl)c1 742865410 OAQIETCMJHSXIS-MRXNPFEDSA-N 311.853 4.504 30 20 DJED C[C@H](ON=Cc1cccc(F)c1)c1ncc(-c2ccccc2)o1 748098244 YOBDFTNXEDZAEE-ZDUSSCGKSA-N 310.328 4.592 30 20 DJED C[C@@H]1CC(=NNc2cncc(Cl)n2)C[C@H](c2ccccc2)C1 749859092 PYNPQBGQPMRUBH-GXTWGEPZSA-N 314.820 4.502 30 20 DJED CCCCCCCCCCCC(=O)N1CCCn2nccc21 751123362 YQDBLUNDFSGDDV-UHFFFAOYSA-N 305.466 4.541 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2cccc(Cl)c2Cl)c(F)c1 772804110 BGWVZGNUXYBDEX-VOTSOKGWSA-N 320.150 4.900 30 20 DJED CCSc1ccccc1OC(=O)c1ccc(C#N)c(Cl)c1 777670098 MHIRKJUBPHCEHX-UHFFFAOYSA-N 317.797 4.543 30 20 DJED CC[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1 795994587 YLSCRGHKWUPNSC-MOPGFXCFSA-N 307.393 4.768 30 20 DJED C=CCCCCC[C@@H](C)Nc1ccc(F)c(NC(=O)NC)c1 797045293 IUUHTQPKAPZJHJ-CYBMUJFWSA-N 307.413 4.514 30 20 DJED N#CCCCCCC(=O)Oc1ccc(Cc2ccccc2)cc1 805871813 MTORFIJAFAUCRH-UHFFFAOYSA-N 307.393 4.657 30 20 DJED C=CCC(F)(F)C(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1 838057306 KQGCMLPXCKDXLL-MRXNPFEDSA-N 319.395 4.732 30 20 DJED Oc1nc2ccccc2cc1C=Nc1ccc(C(F)(F)F)cc1 912773750 SWPWPEXMHLEZQD-UHFFFAOYSA-N 316.282 4.710 30 20 DJED Oc1ccc(Cl)cc1C=Nc1ccc(Cl)c2ncccc12 912782322 KJAITRNNWWQIMO-UHFFFAOYSA-N 317.175 4.998 30 20 DJED CCCCCCCC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 914500495 HFDNESKRVAJKKL-UHFFFAOYSA-N 312.457 4.722 30 20 DJED CCCCN(C(=O)/C=C/c1ccccc1C#N)C1CCCCC1 914514519 ZVYQASBNGUXPPN-BUHFOSPRSA-N 310.441 4.533 30 20 DJED COCc1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1 914557818 LMNJAWDUGNRODW-UHFFFAOYSA-N 310.180 4.596 30 20 DJED CC(=NNc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 916249475 QVHFDRNTDXSQCW-UHFFFAOYSA-N 324.167 4.738 30 20 DJED COc1cccc(C(C)=NNc2nc(-c3ccccc3)cs2)c1 916545214 BSHAHPZMDBVDPV-UHFFFAOYSA-N 323.421 4.655 30 20 DJED CCCOc1ccc(N=Cc2cc(OC)ccc2O)cc1Cl 917557452 NCVGYJKHTFUUGA-UHFFFAOYSA-N 319.788 4.594 30 20 DJED C=CCN(C(=O)Nc1cccc(Oc2ccccc2)c1)C(C)C 921118542 ORFOYRWCPUSDPV-UHFFFAOYSA-N 310.397 4.907 30 20 DJED CC(C)C[C@H](C)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1127429232 VGOVTWZUMQLXMF-HNNXBMFYSA-N 322.408 4.515 30 20 DJED CCC(C#N)(CC)C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 1128401745 SIUBTQULNJUOOS-KRWDZBQOSA-N 312.457 4.536 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 1129983933 QHCDAFOEACYHRY-ATZDWAIDSA-N 324.468 4.684 30 20 DJED Cc1cc(Cl)c(C(C)C)cc1Oc1ncc(C#N)cc1F 1161957526 VMSBCOQWZNLVJQ-UHFFFAOYSA-N 304.752 4.970 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1ccc(F)cc1Cl 1167024121 QINFREDSPKCEDL-UHFFFAOYSA-N 316.807 4.763 30 20 DJED CC(C)(C)c1ccc(NN=C2CC[C@@H](c3ccccc3)C2)nn1 1324202410 QFWFERTZZBFCCR-OAHLLOKOSA-N 308.429 4.510 30 20 DJED C=CCC1(c2nnc(COc3ccc4ccccc4c3)o2)CCC1 1348920679 TXOGBTVIAVBBRZ-UHFFFAOYSA-N 320.392 4.800 30 20 DJED Cc1cc(C#N)cc(NC(=O)CCc2ccc(C(C)C)cc2)c1 1436705079 GSUHZVGEECGZHJ-UHFFFAOYSA-N 306.409 4.561 30 20 DJED CC1(C)CC[C@@H](CNc2cccc(F)c2C#N)c2ccccc21 1458268385 SEJFTAYXIUVAQL-AWEZNQCLSA-N 308.400 4.964 30 20 DJED Cc1nc(N[C@@H](C)C(C)(C)c2ccccc2)c(Cl)cc1C#N 1472730452 BDTZLFQFDBMIOE-ZDUSSCGKSA-N 313.832 4.693 30 20 DJED CCC[C@@H](CC1CCCC1)C(=O)OCc1ccc(CC#N)cc1 1520148322 FVTGAFOATVZYIH-IBGZPJMESA-N 313.441 4.792 30 20 DJED N#Cc1cc(C(=O)NCc2ccc(C3CCCCC3)cc2)cs1 1523108892 PDKIROCXEZRFST-UHFFFAOYSA-N 324.449 4.597 30 20 DJED CCCC1(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)CC1 1527164366 NAYIJKXVXQOGOX-VXGBXAGGSA-N 316.470 4.824 30 20 DJED COc1c(Oc2ncc(C#N)cc2Cl)ccc2ccccc12 1651861147 USJRUVYJLMTVON-UHFFFAOYSA-N 310.740 4.561 30 20 DJED CC[C@H](CC#N)NC/C=C/c1ccc(OCc2ccccc2)cc1 1658140931 KMPHCNCGOYSXSU-AQDCRGGLSA-N 320.436 4.561 30 20 DJED C[C@@H](NCc1cccc(C#N)n1)c1ccc(Cl)c2ccccc12 1658964854 URKSICLWDHFBJY-CYBMUJFWSA-N 321.811 4.611 30 20 DJED CC(C)(CN[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 1662682198 WMHJMKPXRDRTCL-FQEVSTJZSA-N 304.437 4.503 30 20 DJED CCCC1CCC(C=NNc2ccc(C(=O)O)c(F)c2)CC1 1776074493 DGQOTNXWDSAXLC-UHFFFAOYSA-N 306.381 4.528 30 20 DJED CC(C)(C)c1ccc(C(=O)Nc2ccc(OCCC#N)cc2)cc1 27213584 XWPMJHDOWQZOPA-UHFFFAOYSA-N 322.408 4.529 30 20 DJED C=C(C)CN(CC)C(=O)c1csc(-c2ccc(Cl)cc2)n1 55206868 RJGVGQOIELOZCA-UHFFFAOYSA-N 320.845 4.502 30 20 DJED C[C@@H](Nc1cccc(F)c1C#N)c1ccccc1C(F)(F)F 60856750 PQIXZXPIRPIHLT-SNVBAGLBSA-N 308.278 4.889 30 20 DJED COc1ccc2c(c1)CCC[C@@H]2N[C@H](CCC#N)c1ccccc1 90665033 FHNREWQIRGRYGK-RTWAWAEBSA-N 320.436 4.707 30 20 DJED C=CCOc1ccc(CNc2ccc(CC#N)cc2)cc1Cl 183281721 JKMVKCVERPTIAG-UHFFFAOYSA-N 312.800 4.583 30 20 DJED C=CCOc1ccccc1CN[C@@H](C)c1csc(C(C)C)n1 186332883 QIAJBDQWNZNNAW-AWEZNQCLSA-N 316.470 4.682 30 20 DJED COc1cc(C(=O)/C=C\c2ccc(Cl)cc2)ccc1SC 207747256 VBSUDQUEOYTRRS-UITAMQMPSA-N 318.825 4.967 30 20 DJED N#C[C@@H]1CCC[C@@H](N[C@H]2CCSc3ccc(Cl)cc32)C1 248740899 FBRGAZSEWFZLPB-KYOSRNDESA-N 306.862 4.549 30 20 DJED COc1ccc(/C=C\C(=O)c2cnn(C(C)C)c2)c2ccccc12 255309943 BUAWMBYWHOFYIZ-NTMALXAHSA-N 320.392 4.522 30 20 DJED C[C@H](Nc1nc(-c2ccccc2)cs1)c1ccc(C#N)cc1 301120393 WBUNDRCDVXVKSM-ZDUSSCGKSA-N 305.406 4.855 30 20 DJED CC(C)[C@H](/N=C(/O)C[C@@H]1CCCC(O)=N1)c1ccccc1Cl 329258258 ADRWIWWXXWIATG-SJCJKPOMSA-N 322.836 4.893 30 20 DJED C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1cnn(C(C)C)c1C 414302660 MZEZTMZBEKRDLU-QFBILLFUSA-N 311.473 4.610 30 20 DJED C[C@@H]1CCC[C@H](OCc2cccc(N[C@@H]3CC[C@@H](C#N)C3)c2)C1 442866366 IHADDKVVOGTTNE-SMOSDQRPSA-N 312.457 4.886 30 20 DJED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C[C@@H]1C[C@H]1c1ccccc1 463101165 CWUYSFBVLYNCGP-MYGLTJDJSA-N 316.448 4.562 30 20 DJED C=CC[C@@H](CC)NC(=O)N(C)[C@@H](c1ccc(F)cc1)C(C)C 466406803 YXKPXIQZSZVWGT-IAGOWNOFSA-N 306.425 4.519 30 20 DJED C=CCOc1ccccc1CN[C@H](C)c1csc(Cl)c1 468836057 FRHALBRAZZFJQT-GFCCVEGCSA-N 307.846 4.817 30 20 DJED CCCC(C#N)(CCC)NC(=O)C[C@@H](CC)c1ccccc1 475740645 SZBOKYBEFZQDRL-MRXNPFEDSA-N 300.446 4.549 30 20 DJED Cc1cc(C)cc([C@@H](C)NC(=O)c2ccc(C(C)(C)C#N)cc2)c1 475757446 GUDUAFZBMBDTEG-MRXNPFEDSA-N 320.436 4.596 30 20 DJED C=CCCC1(C(=O)Nc2cc(-c3cccnc3)ccc2C)CC1 477562469 PHYYWTAIXRUQKQ-UHFFFAOYSA-N 306.409 4.742 30 20 DJED Cc1ccc(-c2cccnc2)cc1N[C@@H](C#N)C1CCCCC1 479824696 POYZDWADMHNGSO-FQEVSTJZSA-N 305.425 4.941 30 20 DJED C=CCC[C@H](C(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 489758460 YXYQNMDXRBDFHN-INIZCTEOSA-N 324.811 4.900 30 20 DJED C=CCC(C)(C)C(=O)N1CC=C(c2cccc3ccccc23)C1 498568845 XJKMQMJADKMBRW-UHFFFAOYSA-N 305.421 4.668 30 20 DJED COc1cc(COc2ccc(C#N)cc2Cl)ccc1SC 517587542 WIUKPDBMVGRYOC-UHFFFAOYSA-N 319.813 4.521 30 20 DJED CC[C@@H](Nc1c(F)cc(C#N)cc1F)c1ccc(F)cc1F 523087437 DZBUENMOYNRQIC-OAHLLOKOSA-N 308.278 4.678 30 20 DJED Cc1cccc(COc2ccc([C@H](C)NCCCC#N)cc2)c1 537099297 RFISOBARXBJSTL-KRWDZBQOSA-N 308.425 4.528 30 20 DJED C=CC[C@@H](C)N[C@@H](C)c1sc(-c2ccccc2F)nc1C 537969680 LBDGXFFXUHVKTO-NEPJUHHUSA-N 304.434 4.873 30 20 DJED Cc1cncc(C(=O)/C=C\c2csc(-c3ccc(F)cc3)n2)c1 588476648 VGUJPAGFRVHIFV-SREVYHEPSA-N 324.380 4.549 30 20 DJED C=CC[C@H](C)NC(=O)Nc1ccc(OCc2ccccc2)cc1C 605036002 YYAGZWJCWVTUCM-INIZCTEOSA-N 324.424 4.660 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](c1cccs1)C1CC1 611390116 CQSYLYITQZHDDB-PKOBYXMFSA-N 308.450 4.738 30 20 DJED C=CCC1(NCc2csc([C@H](C)OCC)n2)CCCCC1 625936233 DZYFWOQBGXNLDR-AWEZNQCLSA-N 308.491 4.609 30 20 DJED C=CC[C@@H](C)C(C)=NNc1ncc(C(F)(F)F)cc1Cl 727777004 LOFWJFFEPCTKOV-MRVPVSSYSA-N 305.731 4.754 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2nc(-c3ccccc3)cs2)cc1 730084746 GTKHRVVKLKAHRI-ZHACJKMWSA-N 316.385 4.578 30 20 DJED Cc1cc(C)cc(C(=O)/C=C\c2c(Cl)nc3ccccn23)c1 730437779 UXGHKAXGRRCARD-SREVYHEPSA-N 310.784 4.501 30 20 DJED CCCCCCCCCC(=O)NC1CCN(C2CCCC2)CC1 748766372 OIOJOYQIWLKPGY-UHFFFAOYSA-N 322.537 4.650 30 20 DJED O=C1/C(=C/c2coc(-c3ccccc3)n2)Cc2c(Cl)cccc21 749893516 YWWAOZCEDVGMQC-UKTHLTGXSA-N 321.763 4.817 30 20 DJED CC(=C\c1ccccc1)/C=C1\COc2c(F)cc(F)cc2C1=O 750914333 WDUZKWNAUVVNNW-BKKXBQFWSA-N 312.315 4.570 30 20 DJED O=C(/C=C\c1ccc(O)c(F)c1)c1ccc(SC(F)F)cc1 755593023 LYMYDMWSDMSDPQ-XFSBKJJWSA-N 324.323 4.742 30 20 DJED CC(CC1CCOCC1)=NNc1c(Cl)cc(F)cc1Cl 767910339 QSFNBCAEWZUZPZ-UHFFFAOYSA-N 319.207 4.737 30 20 DJED C#CC[C@@H](N[C@@H](C)c1ccc(F)c(Cl)c1)c1ccccc1 773106263 KYAXHABGZXITLP-SCLBCKFNSA-N 301.792 4.894 30 20 DJED Fc1c(Cl)cccc1NN=C1CCCNc2ccccc21 774367207 RIPFZPKKZOFDNI-UHFFFAOYSA-N 303.768 4.501 30 20 DJED CO[C@@H](C(C)=NNc1ncc(Cl)cc1Cl)c1ccccc1 782152038 MHGLTDIHDRBLJK-AWEZNQCLSA-N 324.211 4.564 30 20 DJED CC(C)(CCC#N)COC(=O)c1ccc(-c2ccccc2F)o1 798876270 XOJIVPZGZLPFHQ-UHFFFAOYSA-N 315.344 4.572 30 20 DJED C[C@@H](CCOC(=O)CCCCCC#N)c1c[nH]c2ccccc12 805930897 BCFMHSXXIULGQX-HNNXBMFYSA-N 312.413 4.679 30 20 DJED CCCCCCC[C@H](C)CN[C@H]1CCO[C@@H](C(F)(F)F)C1 806130896 DQOBDVPVYVHPOG-SOUVJXGZSA-N 309.416 4.683 30 20 DJED N#Cc1c(F)cccc1/C=C\C(=O)c1cccc(C(F)(F)F)c1 811685060 IJVDHNHVLSDDCU-FPLPWBNLSA-N 319.257 4.612 30 20 DJED C[C@H](OC(=O)[C@]1(C#N)CC12CCCC2)c1cc2ccccc2o1 839331853 ICRSLANXQRQOCD-ORAYPTAESA-N 309.365 4.511 30 20 DJED C#CCC1(c2nc(Cc3ccc(Cl)cc3)no2)CCCCC1 904545533 ATMITIRNSZWNBQ-UHFFFAOYSA-N 314.816 4.539 30 20 DJED CCCCCCCCCNC(=O)N1CCC[C@H]1c1cccnc1 916194356 VHHIEQPSSAQPLB-SFHVURJKSA-N 317.477 4.679 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2cccc(OC3CCCC3)c2)cc1 917517240 LMSHUSJYSLLAMM-JLHYYAGUSA-N 317.388 4.776 30 20 DJED Oc1ccccc1C=Nc1ccccc1COc1ccccc1 917558501 UZSSNWNETGMRDQ-UHFFFAOYSA-N 303.361 4.722 30 20 DJED CC(C)c1ccc([C@H](C)CC(=O)[C@@H](C#N)c2cccc(F)n2)cc1 1122632460 VSWFRNRMFRMSMC-PBHICJAKSA-N 324.399 4.714 30 20 DJED Cc1cc(C)c(/C=C\CN[C@@H]2CCc3cc(C#N)ccc32)cc1C 1202243250 UOAGNQMVCIGXSL-QATSOJGNSA-N 316.448 4.774 30 20 DJED C=C(Cl)CNC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 1214956347 VFMWQJKSUGMGAG-UHFFFAOYSA-N 316.788 4.661 30 20 DJED C[C@@H](Cc1ccccc1Cl)N[C@@H](CCC#N)c1ccccc1 1254996303 JWIOAXGZCQVTSW-KXBFYZLASA-N 312.844 4.906 30 20 DJED Cc1sc(NC(=O)CCC2CCCCCC2)c(C#N)c1C 1264023306 MUAFFMLFUCUIRS-UHFFFAOYSA-N 304.459 4.926 30 20 DJED Cc1c(Cl)cnc(N[C@@H](C)c2cccc(C3CC3)c2)c1C#N 1307129751 GOYZFDHFBGSHOK-LBPRGKRZSA-N 311.816 4.966 30 20 DJED N#Cc1ccc(CCSc2ncc(-c3ccccc3)o2)cc1 1307295185 PFQZNWHOXMETTR-UHFFFAOYSA-N 306.390 4.548 30 20 DJED Cc1ccc(C#N)cc1C(=O)Nc1ccc(CCC(C)C)cc1 1358221284 SPYGHJYTGIYDOV-UHFFFAOYSA-N 306.409 4.708 30 20 DJED CC(C)[C@H](CCc1ccccc1)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 1436649600 PUUQQNJDQLEFKB-QRVBRYPASA-N 313.441 4.517 30 20 DJED Cc1ccc(CSc2ccc(C#N)cc2)cc1Br 1472977730 HNBWOCHYJMXYQB-UHFFFAOYSA-N 318.239 4.922 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)C(C)(C)C3CC3)c2C#N)[C@H](C)C1 1527033022 YEUHEPFZJVOBPD-WDEREUQCSA-N 316.470 4.680 30 20 DJED C[C@H]1CCc2ccccc2[C@@H]1NC1CC(C#N)(c2ccccc2)C1 1560707279 GXBQDPLXPAJKQR-IDHNUIKBSA-N 316.448 4.524 30 20 DJED CC(C)C[C@]1(C)CCCN1C(=O)Nc1ccc(C#N)cc1Cl 1562491904 WAJWCJKBTROMQK-KRWDZBQOSA-N 319.836 4.644 30 20 DJED CN(C(=O)CC1(C#N)CCCCC1)[C@H]1CCC[C@@H]1C(C)(C)C 1639425113 OTAGBAAGXDBDOC-HOTGVXAUSA-N 304.478 4.524 30 20 DJED CCc1ccc([C@H]2C[C@H](C)CCN2Cc2ccc(C#N)cc2C)o1 1641887129 HIRBNVXOIHKIRS-FOIQADDNSA-N 322.452 4.995 30 20 DJED CCSCc1ccc(Nc2snc(Cl)c2C#N)cc1 1642700082 RPJMHJDAUQUASY-UHFFFAOYSA-N 309.847 4.665 30 20 DJED N#Cc1ccc(CCN2CC=C(c3cccc(Cl)c3)CC2)cc1 1645471680 CGLMUHMRRDMJEA-UHFFFAOYSA-N 322.839 4.543 30 20 DJED CN(CCOc1ccccc1C(C)(C)C)[C@@H](C#N)c1ccccc1 1653452689 KRECWEKJUPVSQM-IBGZPJMESA-N 322.452 4.560 30 20 DJED Cc1cc(C)c(/C=C\CN(CCC#N)Cc2ccco2)cc1C 1658657407 AQKXOWJIDFJGBM-DAXSKMNVSA-N 308.425 4.634 30 20 DJED Cc1ccc(C)c(C(=O)/C=C\c2cc(C(=O)O)c(C)cc2C)c1 1776133001 LNAXFNJXDZYINW-FPLPWBNLSA-N 308.377 4.515 30 20 DJED C=CCN(Cc1cccs1)C(=O)CCc1cccc(Cl)c1 53689041 CYSIVEFMBFLKPM-UHFFFAOYSA-N 319.857 4.549 30 20 DJED C=C(C)CN(CC)C(=O)c1csc(-c2cccc(Cl)c2)n1 55206553 CQEISISMAQIDEZ-UHFFFAOYSA-N 320.845 4.502 30 20 DJED COc1cccc(CNc2ccccc2S[C@H](C)CC#N)c1 66861312 XSELYLHUXRKXGD-CQSZACIVSA-N 312.438 4.702 30 20 DJED C=C[C@H](CC(=O)N(C)c1cccc2ncccc12)c1ccccc1 89843611 JQGYCCCJTUPOGU-MRXNPFEDSA-N 316.404 4.558 30 20 DJED CC[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCO2 90664949 LOQQGWCBJUUJHL-VQTJNVASSA-N 320.436 4.707 30 20 DJED C=C[C@H](CC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 131219020 ZKSOOVVZDMFUNF-MRXNPFEDSA-N 318.420 4.786 30 20 DJED N#Cc1csc(CN[C@H](c2cccc(F)c2)C2CCCC2)c1 154479354 JONCUNNVBJNMKL-SFHVURJKSA-N 314.429 4.780 30 20 DJED C[C@H](NCc1ccc(C#N)s1)c1cccc(Cl)c1Cl 176971979 SBUUZFWQISVERK-VIFPVBQESA-N 311.237 4.777 30 20 DJED C[C@@H](SCCOc1ccc(C#N)cc1)c1nc2ccccc2o1 183258520 DEDCQUSFSOLYPO-CYBMUJFWSA-N 324.405 4.573 30 20 DJED C=CC[C@H](C(=O)Nc1cccc(-c2ncco2)c1)c1ccccc1 188828369 BXUUAPIIISHZHH-SFHVURJKSA-N 318.376 4.640 30 20 DJED C[C@H](CC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 248146714 FFCASEKKRDPYPS-CYBMUJFWSA-N 324.449 4.631 30 20 DJED N#Cc1cccc(CN2Cc3ccccc3-c3ccccc3C2)c1 303197635 WSOQDKFWFVJMQN-UHFFFAOYSA-N 310.400 4.741 30 20 DJED COc1ccc(CC[C@H](C)N[C@@H](CCC#N)c2ccccc2)cc1 358344671 WUZAFHCBIZWUIR-UWJYYQICSA-N 322.452 4.651 30 20 DJED Cc1nc(-c2ccccc2NCc2ccc(CC#N)cc2)cs1 359617648 DPRDQYGKNOJODR-UHFFFAOYSA-N 319.433 4.797 30 20 DJED CCCN(Cc1ccc(C#N)cc1)[C@H](C)c1nc2ccccc2o1 411170467 XDMBXYLDGIUJIE-OAHLLOKOSA-N 319.408 4.673 30 20 DJED CCCCc1nc(CN(C)[C@H](C)c2cccc(C#N)c2)cs1 425529403 BQALLVTVPIUSMC-CQSZACIVSA-N 313.470 4.550 30 20 DJED C=CCC[C@@H](C(=O)N[C@H](C)c1ccncc1CC)c1ccccc1 427930267 ATUZTNOTRZEBGP-OXQOHEQNSA-N 322.452 4.571 30 20 DJED C=CCC[C@@H](NC(=O)Nc1cc(C#N)ccc1C)c1ccccc1 435592216 JUIYEUOVOAKZDG-GOSISDBHSA-N 319.408 4.696 30 20 DJED N#C[C@H]1CC[C@@H](NC2(c3c(Cl)cccc3Cl)CCC2)C1 442859621 KANIKLPCZJRSMO-NWDGAFQWSA-N 309.240 4.654 30 20 DJED C[C@@H](N[C@H](C)c1cc2ccccc2o1)c1ccc(C#N)c(F)c1 443215996 BAISLWRYIRIRRG-CHWSQXEVSA-N 308.356 4.855 30 20 DJED C=C[C@@H](CC(=O)Nc1cc2[nH]ccc2cc1C)c1ccccc1 444453763 KBBNMIRPUGKQCC-HNNXBMFYSA-N 304.393 4.775 30 20 DJED CC(C)Oc1ccc2ccccc2c1CN[C@@H]1CCC[C@@H](C#N)C1 446758097 FUFOFIOLXTZRBC-SJLPKXTDSA-N 322.452 4.799 30 20 DJED C[C@H]1CCc2c(F)cccc2[C@H]1NC1CCC(C)(C#N)CC1 449176811 NRSUJEFHSBZGBV-AGDHPHLSSA-N 300.421 4.511 30 20 DJED CC(C)CC[C@@H]1CCCCN1C(=O)Nc1cccc(CC#N)c1 455907064 ORFQZNDAZLOCLL-SFHVURJKSA-N 313.445 4.575 30 20 DJED C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CCCC#N 462204479 RSMWLVIEMDJORP-MRXNPFEDSA-N 306.409 4.567 30 20 DJED C=CCN(CC=C)C(=O)c1sc(C2CC2)nc1-c1ccccc1 463254638 GBHADHGSSXZPJK-UHFFFAOYSA-N 324.449 4.502 30 20 DJED CC[C@]1(C)C[C@H]1C(=O)Nc1sc(-c2ccccc2)cc1C#N 466294691 BCCRQTHAONLICN-KBXCAEBGSA-N 310.422 4.661 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@H]1Cc1ccccc1Cl 467811026 YPKATSGJQLRMCT-KRWDZBQOSA-N 317.860 4.642 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)C[C@@H](c1ccccc1)C(C)C 471170114 RYNIKZXVEXTPJH-GOSISDBHSA-N 314.473 4.747 30 20 DJED CCc1cc(C#N)c(NC(=O)c2coc3cc(C)c(C)cc23)s1 471743257 CADIYQUKHVAETO-UHFFFAOYSA-N 324.405 4.798 30 20 DJED C=CCCCCNC(=O)N(CCC)[C@H](C)c1ccccc1OC 472841392 NRKMXZIRFBSNDD-MRXNPFEDSA-N 318.461 4.534 30 20 DJED C=CCOc1ccc(Oc2nc3ccccc3cc2[N+](=O)[O-])cc1 473518947 GAKIGGINNWMWTI-UHFFFAOYSA-N 322.320 4.500 30 20 DJED Cc1cc(C(=O)Nc2ccc(C#N)cc2Cl)c(C)cc1Cl 483866697 JNPCGMGVJMGHLA-UHFFFAOYSA-N 319.191 4.734 30 20 DJED C=C(C)CN(CC)C(=O)N[C@@H](CC1CCC1)c1ccccc1 498353403 IYFKUXFWKVXVKI-SFHVURJKSA-N 300.446 4.526 30 20 DJED N#Cc1ccc(CNc2ccc3nc(C(F)F)sc3c2)cc1 513037575 TUAMOEDRJPREGD-UHFFFAOYSA-N 315.348 4.718 30 20 DJED CC[C@H](c1ccccc1OC)N(C)CCCCC(C)(C)C#N 520382352 AWQTYYKZAXLJIW-QGZVFWFLSA-N 302.462 4.798 30 20 DJED CC(C)(C)[C@H](NCc1ccccc1C#N)c1ccc(F)cc1F 540424817 ZHIMMBURGLJPFO-GOSISDBHSA-N 314.379 4.713 30 20 DJED CC(C)(C#N)CCN1CCC(F)(c2cccc(Cl)c2)CC1 553894052 GJXVABOPGSEPQU-UHFFFAOYSA-N 308.828 4.540 30 20 DJED CC(C)c1ccc([C@H](NCc2ccc(C#N)cn2)C(C)C)cc1 566416151 NSLRALVVWWRUMC-HXUWFJFHSA-N 307.441 4.564 30 20 DJED Cc1ccc(C)c(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c1 592975556 IWXLEDBLFQIHSU-AWEZNQCLSA-N 324.380 4.542 30 20 DJED C=CC1CCN(C(=O)c2oc3c(ccc4ccccc43)c2C)CC1 599687696 PDJLEUSOPQPTQD-UHFFFAOYSA-N 319.404 4.933 30 20 DJED Clc1cc(Cl)c(NN=C[C@H]2CC=CCC2)nc1Cl 606442470 RNIGULYAIADLDV-QMMMGPOBSA-N 304.608 4.796 30 20 DJED C=CCOc1ccc(/C=C/C(=O)c2cccs2)cc1Cl 727263877 IDLWGFWDPZTUBG-FNORWQNLSA-N 304.798 4.862 30 20 DJED c1ccc(CC(=NNc2nccc3sccc23)C2CC2)cc1 729142244 OVSAWBGALCBOKQ-UHFFFAOYSA-N 307.422 4.717 30 20 DJED C=CCC(=NNc1nccc2sccc12)c1ccc(F)cc1 735612821 PLSUEBIKIHAWQC-UHFFFAOYSA-N 311.385 4.828 30 20 DJED CCCCCCCCNC(=O)N1C[C@H](C)C[C@H]1c1cccnc1 754241878 GDOHYFNFNNQRAP-AEFFLSMTSA-N 317.477 4.535 30 20 DJED CCc1ccc(C=NOCc2ncc(-c3ccccc3F)o2)cc1 754276813 RQDZIXZDOGMYOM-UHFFFAOYSA-N 324.355 4.594 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)[C@H](C)CCC(C)(C)C)n1 755714952 RIIMWTDSCKRHIU-OLZOCXBDSA-N 306.475 4.905 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccc(-c3ccc(F)cc3)o2)s1 762442229 HHWPJEZBNLHNRL-YVMONPNESA-N 323.348 4.915 30 20 DJED CC(=NNc1nc(-c2ccccc2)cs1)c1ccc(C#N)s1 762448739 ZIWDDDSVXBOAAM-UHFFFAOYSA-N 324.434 4.579 30 20 DJED C[C@@H]1Sc2sccc2C(=O)/C1=C\c1ccc(F)c(C#N)c1 770571190 BYAXISTXLCRSMS-XSHGTHSTSA-N 315.394 4.519 30 20 DJED CC(CCCC(F)(F)F)=NNc1ccc(C(F)(F)F)cn1 774318212 DLVYDZSBRSFVAC-UHFFFAOYSA-N 313.245 4.621 30 20 DJED C=C(C)[C@@H](NC(=O)C(C)=C1CCCC1)c1ccc(F)c(F)c1 774545226 PWHBYTOQOBFJEE-QGZVFWFLSA-N 305.368 4.589 30 20 DJED O=C(/C=C\c1ccc(-c2ccccc2Cl)o1)c1cscn1 776193491 ZKDNOZCHIARTDF-ALCCZGGFSA-N 315.781 4.953 30 20 DJED N#CCOc1cccc(NCc2cccc(OC3CCCC3)c2)c1 779589174 YHNZSHJYZPVFQE-UHFFFAOYSA-N 322.408 4.522 30 20 DJED C=CC[C@H](NC(=O)CC(C)(C)C1CCCCC1)c1ccncc1 793518009 JOFYHKZFIVLRSN-SFHVURJKSA-N 314.473 4.812 30 20 DJED FC(F)(F)c1cccnc1NN=C1CC[C@@H](c2ccccc2)C1 814802000 WLCPHTJGLINRJT-CYBMUJFWSA-N 319.330 4.836 30 20 DJED CCCCCCCCCCC(=O)N1CCC[C@H]1c1ncccn1 898963203 ONMOCFXRFWYAAV-KRWDZBQOSA-N 317.477 4.671 30 20 DJED O=C(c1ccccc1Cl)N(O)Cc1cccc2ccccc12 901368094 SGIFFSPRDRIUBL-UHFFFAOYSA-N 311.768 4.525 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)CCCC3CC3)c2C#N)[C@H](C)C1 1129333851 DVLQYSYIHZHJQN-NWDGAFQWSA-N 316.470 4.824 30 20 DJED C[C@H]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)[C@@H]1C 1167631668 WSEOGNXSEXMEQP-RBUKOAKNSA-N 318.464 4.617 30 20 DJED C[C@@H]1CCCC[C@@H]1CNc1c(Br)cccc1C#N 1306951076 SNXJSYAVDYTLLM-DGCLKSJQSA-N 307.235 4.559 30 20 DJED C[C@H]1CCC[C@@H](CCN2CCC(c3ccc(C#N)cc3)CC2)C1 1308114419 OCLVNYAXMIFSAR-ROUUACIJSA-N 310.485 4.954 30 20 DJED CC(C)(C)C1CCC(CC(=O)[C@H](C#N)c2cccc(F)n2)CC1 1342639207 XBWWMKDEWAMFJM-YMAMQOFZSA-N 316.420 4.640 30 20 DJED N#Cc1ccc(SCc2nc3ccccc3n2C(F)F)cc1 1458917824 PPGRAHHEKQWEKS-UHFFFAOYSA-N 315.348 4.595 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)C[C@H](C)c1ccc(F)cc1 1474362418 KEIYCBQBWFWLML-KRWDZBQOSA-N 324.443 4.959 30 20 DJED CC(C)(C)CC(C)(C)NC(=O)Nc1ccc(C#N)cc1Cl 1476276253 RISJSPOPYRPNLY-UHFFFAOYSA-N 307.825 4.548 30 20 DJED CC1(C)CCCC[C@H]1CC(=O)Nc1cc(C#N)cn1C(C)(C)C 1517430399 YTWVEBRYWGCDQB-HNNXBMFYSA-N 315.461 4.660 30 20 DJED CC1(C)CCCC[C@H]1CC(=O)N[C@@H](CCC#N)c1ccccc1 1519311367 BEDMWMHBSAHHBC-ROUUACIJSA-N 312.457 4.754 30 20 DJED CC(C)c1ccc2occ(C(=O)O[C@@H]3CCC[C@@H](C#N)C3)c2c1 1525049333 UEKKGOAWEWVJDD-UKRRQHHQSA-N 311.381 4.795 30 20 DJED CC(C)[C@@H]1CCc2c(sc(NC(=O)C3CCCC3)c2C#N)C1 1527277255 JAYAARIAOGJEQQ-CYBMUJFWSA-N 316.470 4.509 30 20 DJED Cc1ccc2ncc(C#N)c(OCc3ccccc3C3CC3)c2c1 1559417499 VCFFXVZSPFBDHH-UHFFFAOYSA-N 314.388 4.871 30 20 DJED CC(C)(C#N)c1ccccc1CSc1ccc2c(c1)CCO2 1559424019 QXVXOBPTADEPHZ-UHFFFAOYSA-N 309.434 4.715 30 20 DJED Cc1ccc(C[C@H]2CCCN2Cc2ccc(Cl)cc2C#N)cc1 1559537968 LDZTWZQRCZZNBU-HXUWFJFHSA-N 324.855 4.727 30 20 DJED Cc1csc(NC(=O)N(C)[C@@H]2CCC[C@H]2C(C)(C)C)c1C#N 1562766743 ONZCFEDGORHWMV-ZIAGYGMSSA-N 319.474 4.607 30 20 DJED C[C@H](c1cc(F)ccc1F)N(C)CCC1(C#N)CCCCC1 1615188600 ZMRHZOAERAVRQX-CQSZACIVSA-N 306.400 4.822 30 20 DJED N#Cc1nc(N[C@@H]2CCCc3ccc(Cl)cc32)sc1Cl 1640228253 WAAKJYCPMSGTAZ-LLVKDONJSA-N 324.236 4.811 30 20 DJED CCC1(Nc2cc(C)c(C#N)c3nc4ccccc4n23)CCCC1 1642725362 OCEVWKAFAHDDNG-UHFFFAOYSA-N 318.424 4.802 30 20 DJED C[C@@H](Sc1nccn1-c1cccc(F)c1)c1ccc(C#N)cc1 1643534388 QGAZKZYXIZNMMR-CYBMUJFWSA-N 323.396 4.736 30 20 DJED CC[C@H](Nc1nc(C(C)(C)C)ccc1C#N)c1ccc(F)cc1 1651678657 XCHRKHWFOASIJK-INIZCTEOSA-N 311.404 4.953 30 20 DJED N#Cc1cccc(CN[C@@H]2CCCC[C@H](c3ccccc3)C2)c1 1656027608 XVZZNRBHQNHGQW-LEWJYISDSA-N 304.437 4.764 30 20 DJED CC[C@@H](NC(=O)Nc1cc(C)cc(C#N)c1)c1cc(C)ccc1C 1672285371 NPCGWJNXTQIBKT-LJQANCHMSA-N 321.424 4.756 30 20 DJED CCCC(=NNc1ccc(C(=O)O)c(F)c1)C1CCCCC1 1776074344 VOODHHLBJPROHD-UHFFFAOYSA-N 306.381 4.672 30 20 DJED Cc1ccc(/C=C/C(=O)c2cc3ccccc3o2)cc1[N+](=O)[O-] 7744980 ZRGPZFWORRPBIU-CMDGGOBGSA-N 307.305 4.546 30 20 DJED CC[C@H](Nc1ccc(OCC#N)cc1)c1cccc(Cl)c1 20559010 YBOGDOSIKVFUFC-KRWDZBQOSA-N 300.789 4.806 30 20 DJED CCCC(C#N)(CCC)NC(=O)c1cccc(Cl)c1Cl 126175058 BFAAEAPWZLSQRP-UHFFFAOYSA-N 313.228 4.586 30 20 DJED O=C(/C=C/c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 137211081 RHVKVAKONVKVME-FPYGCLRLSA-N 322.147 4.798 30 20 DJED CCN(C[C@H](C)C#N)[C@H](C)c1ncc(-c2ccc(Cl)cc2)o1 245921676 WWQFOPVWIMQYOA-CHWSQXEVSA-N 317.820 4.538 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1cc2ccccc2o1 277392671 RLAWBLFWGNBZRH-MRXNPFEDSA-N 317.429 4.726 30 20 DJED C[C@H](Nc1cccc(F)c1C#N)c1ncc(-c2ccccc2)o1 301350238 KCCSJOIMQQRAHO-LBPRGKRZSA-N 307.328 4.525 30 20 DJED C[C@H](Nc1c(F)cc(C#N)cc1F)c1ccc(OC(F)F)cc1 301549787 UYNVEHNKXYPDCN-VIFPVBQESA-N 324.277 4.611 30 20 DJED COc1ccccc1[C@H]1CCCN1c1ccc(C#N)c(Cl)c1 301556193 SEAUMZORLDVSSO-QGZVFWFLSA-N 312.800 4.562 30 20 DJED CC(C)CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 303316510 GXSYVBKOCLKJLG-UHFFFAOYSA-N 323.396 4.518 30 20 DJED Cc1cc(C#N)cc(NCc2ccc(Br)c(C)c2)c1 308123872 UPEBXCDSWKWHSO-UHFFFAOYSA-N 315.214 4.550 30 20 DJED C=C1CCN(C(=O)c2ccc(O[C@H](C)c3ccccc3)cc2)CC1 409532953 YKQVXTCRPSWKSB-QGZVFWFLSA-N 321.420 4.619 30 20 DJED N#CCC1(CNCc2ccc(-c3cccc(Cl)c3)s2)CC1 430070126 WVCCCFXUXTYEDE-UHFFFAOYSA-N 316.857 4.852 30 20 DJED N#Cc1ccc(CN[C@H](c2cccs2)C2CC2)c(Cl)c1 439429968 JVCIYVKIUVVZNL-INIZCTEOSA-N 302.830 4.514 30 20 DJED CCc1cc(C#N)c(NC(=O)c2cc3cc(C)c(C)cc3o2)s1 443873643 DGNSGWMZQFKBGF-UHFFFAOYSA-N 324.405 4.798 30 20 DJED C=CC[C@@H](C)NC(=O)c1cc(-c2ccc(F)cc2)c(C)s1 446313465 RKXTXZOAEQYYTP-LLVKDONJSA-N 303.402 4.557 30 20 DJED C=CCCC(=O)N1CCC[C@@H](Cc2csc3ccccc23)C1 466398437 YWYPNVSWCNVBLE-HNNXBMFYSA-N 313.466 4.649 30 20 DJED N#Cc1ccc(CNc2cccc(OC3CCCC3)c2)cc1F 479470694 LOXZUYWHLQUXQR-UHFFFAOYSA-N 310.372 4.631 30 20 DJED C=CCN(CCc1ccco1)C(=O)Nc1ccc(C2CC2)c(C)c1 481910878 WGBUUVMITPOENO-UHFFFAOYSA-N 324.424 4.728 30 20 DJED CCC[C@@H](C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1)C(C)C 487954638 VCWKDTVOWKSQFF-MAUKXSAKSA-N 300.446 4.540 30 20 DJED N#Cc1ccc(C(=O)N(c2ccccc2)C2CCCCC2)cc1 498095433 PRWBDWWICFZUBN-UHFFFAOYSA-N 304.393 4.538 30 20 DJED C=CCN(CC=C)C(=O)[C@@H](C)S[C@@H](C)c1ccccc1Cl 498107612 SBICXSWAUNOJFT-UONOGXRCSA-N 323.889 4.723 30 20 DJED CCC[C@H](CC1CCCC1)C(=O)N(C)Cc1ccc(C#N)cc1 499412684 KELQQOWHAYTNDK-LJQANCHMSA-N 312.457 4.513 30 20 DJED C=CCN(Cc1cccs1)Cc1ccccc1OC(F)F 506095975 YNIJWGOAOLDEKX-UHFFFAOYSA-N 309.381 4.538 30 20 DJED CCCCCOc1ccc(Oc2ncc(C#N)cc2Cl)cc1 513651229 XNPQSFXSRBGGRI-UHFFFAOYSA-N 316.788 4.968 30 20 DJED C=CCN(CC=C)C(=O)Nc1ccc2oc3ccccc3c2c1 515225270 XDNHOUDOSXVJMG-UHFFFAOYSA-N 306.365 4.792 30 20 DJED C=CCCC[C@H](C)NC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 539388033 HUEOENLKAFGKSV-QWHCGFSZSA-N 323.506 4.546 30 20 DJED C=CC[C@H](CC)NC(=O)N[C@@H](C)c1cc2ccccc2s1 541782590 OIHGFVDYPQYSFM-JSGCOSHPSA-N 302.443 4.616 30 20 DJED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(C)C)s1 546888494 DGQWPFFYWLAJNW-UHFFFAOYSA-N 324.449 4.572 30 20 DJED Cc1nc(SCc2ccc(-c3ccccc3C#N)cc2)[nH]c1C 558863434 SMTGXYALGJNIBX-UHFFFAOYSA-N 319.433 4.858 30 20 DJED CC1(C)C[C@@H](N[C@H]2CCc3ccc(C#N)cc32)c2ccccc21 569514278 WMFCDNUXWDEZFQ-VQTJNVASSA-N 302.421 4.558 30 20 DJED N#CC1(CSCc2ccc(OCc3ccccc3)nc2)CCC1 594560710 FDBPKXFJPXLHTL-UHFFFAOYSA-N 324.449 4.588 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)C1CCC=CCC1 602094721 DNKDBRJJOGDVFY-CQSZACIVSA-N 314.454 4.623 30 20 DJED Cc1cc(C#N)ccc1OCc1csc(-c2ccc(F)cc2)n1 604564606 OIUNXXCMPWSSCO-UHFFFAOYSA-N 324.380 4.708 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 605204329 QBRDZWAZLJZHFL-UHFFFAOYSA-N 315.417 4.555 30 20 DJED CCCC[C@@H](CC)CC(=O)N(Cc1ccc(C#N)cc1)C(C)C 609754397 STCNTMDTUCWYJW-QGZVFWFLSA-N 314.473 4.902 30 20 DJED Cc1ccc([C@H]2CCCCCN2Cc2ccc(C#N)cc2F)o1 610004425 JOLYOXOSAQWSPH-GOSISDBHSA-N 312.388 4.716 30 20 DJED C[C@H](NC(=O)Nc1ccccc1C(C)(C)C)c1cccc(C#N)c1 610317288 ZBJCJSWFADQATP-AWEZNQCLSA-N 321.424 4.738 30 20 DJED CCC[C@H](CC1CCCCC1)C(=O)N1CCC[C@@](C)(C#N)C1 612368864 OFLYJYDULLIOFE-MJGOQNOKSA-N 304.478 4.525 30 20 DJED Cc1cc(C#N)ccc1COc1cccc(Oc2cccnc2)c1 614394212 BLJZOXWOGKVBMM-UHFFFAOYSA-N 316.360 4.633 30 20 DJED CC[C@@H](C)n1ncc(N[C@@H]2CCCc3cc(C#N)ccc32)c1C 616365814 SIIYPNCXRYDHFK-FZKQIMNGSA-N 308.429 4.524 30 20 DJED CC1(C)Cc2occc2[C@H](NCc2ccc(C#N)c(Cl)c2)C1 619754657 GWPOONVHBONJQO-MRXNPFEDSA-N 314.816 4.608 30 20 DJED CCCCCCCCn1cc(C#N)c(=O)c2cc(Cl)ccc21 728704876 OFHZNCVIDCTJML-UHFFFAOYSA-N 316.832 4.887 30 20 DJED C=CCN(CC1CCCCC1)C(=O)N[C@H](C)c1ccc(C)s1 732701889 PDXOTMIVKKBULN-OAHLLOKOSA-N 320.502 4.895 30 20 DJED O=C(/C=C\c1cnc2ccccn12)c1ccc(-c2ccccc2)cc1 740666191 NGGKNFHDEWNKQU-YPKPFQOOSA-N 324.383 4.897 30 20 DJED O=C(/C=C\c1nccc2ccccc12)c1c[nH]c2cc(F)ccc12 740765334 XAEXSOTZICFFAD-FPLPWBNLSA-N 316.335 4.751 30 20 DJED CCC/C=C/C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 742964136 YACGBUAHTKZWLZ-RUDMXATFSA-N 324.355 4.784 30 20 DJED CC(=NNc1cccc(Cl)c1)c1c(C)nn(C(C)C)c1C 746484899 NPJGYWYVIYFRAR-UHFFFAOYSA-N 304.825 4.570 30 20 DJED Cc1cc(/C=C\C(=O)c2oc3ccccc3c2C)cc(C)c1O 747140966 UPDNHTMWETZENG-HJWRWDBZSA-N 306.361 4.960 30 20 DJED C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)C1CCCC1 750687063 KCUUDKHLFGYCTH-CZUORRHYSA-N 324.449 4.813 30 20 DJED CCCCCCCCCN(C)C(=O)c1cn(C)nc1C(C)(C)C 752950422 CRRBSHMHVKUILU-UHFFFAOYSA-N 321.509 4.540 30 20 DJED O=C(/C=C\c1nc(Cl)cs1)c1cccc(Cl)c1Cl 759081965 AUHVTXFKVDFRAU-PLNGDYQASA-N 318.612 4.999 30 20 DJED CCc1nc2ccccc2n1N=Cc1ccc(Cl)c(Cl)c1 767362949 PROVJXVFUTVJPX-UHFFFAOYSA-N 318.207 4.788 30 20 DJED Cc1ccc([C@@H](C)N(C)Cc2ccc(O[C@@H](C)C#N)cc2)c(C)c1 768269363 RTLGSFYELCYFRU-ZWKOTPCHSA-N 322.452 4.787 30 20 DJED CC(C)CC1(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)CCC1 797572426 ZLMYDCRBQQXJJZ-CYBMUJFWSA-N 318.486 4.833 30 20 DJED CSCc1ccc(CNc2nc3ccccc3cc2C#N)cc1 804824558 QIJXZJAZBLUTDS-UHFFFAOYSA-N 319.433 4.582 30 20 DJED COc1ccc(C(=O)/C=C\c2csc3ccccc23)cc1O 811697837 GYTUCSKZJZFAAC-VURMDHGXSA-N 310.374 4.512 30 20 DJED C=C(Cl)CSCc1coc(-c2ccc(Cl)cc2)n1 913514949 ZPVYJUGNERORQV-UHFFFAOYSA-N 300.210 4.981 30 20 DJED CCOc1ccc(/C=C2/CSc3ccc(F)cc3C2=O)cc1 916128500 HUIQRIHZWOPACT-LCYFTJDESA-N 314.381 4.596 30 20 DJED CCCc1ccc(C(=O)/C=C\c2cccc(OC)c2OC)cc1 916133733 KFRIXRQJPYMVQN-YPKPFQOOSA-N 310.393 4.552 30 20 DJED C=C(C)CNC(=S)N(Cc1cccs1)c1ccc(C)cc1 918162225 IHQSHWHDWPNUFQ-UHFFFAOYSA-N 316.495 4.514 30 20 DJED N#Cc1c(F)cccc1N1CC=C(c2cccc(Cl)c2)CC1 1163199643 FFQVEZVCIMKONH-UHFFFAOYSA-N 312.775 4.644 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1cc2cc(F)ccc2o1 1202715911 QGPBNLSDQQVYHX-UHFFFAOYSA-N 324.355 4.843 30 20 DJED N#Cc1sc(N[C@@H]2CCCc3ccc(Cl)cc32)nc1Cl 1307180677 XNODMXPQEHUPLQ-LLVKDONJSA-N 324.236 4.811 30 20 DJED Cc1cc(C)cc(C2CCN(Cc3cccc(C#N)c3)CC2)c1 1308134546 FDETVHOORKFNFQ-UHFFFAOYSA-N 304.437 4.555 30 20 DJED CC[C@H](C)Oc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1 1351436902 LVJNBWSFCPMNAR-HNNXBMFYSA-N 314.429 4.667 30 20 DJED CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1sc(-c2ccccc2)cc1C#N 1355048942 IAQWLTLZRIJCDA-HNAYVOBHSA-N 324.449 4.907 30 20 DJED CC[C@@H](CC(=O)Nc1cc(F)cc(C#N)c1)c1ccc(C)cc1 1438461838 ICRPPWQELFNFNZ-HNNXBMFYSA-N 310.372 4.528 30 20 DJED N#Cc1cccc(C#N)c1NC[C@@H]1CCCC[C@H]1c1ccccc1 1458381409 JVECAUPWRJZBFH-PMACEKPBSA-N 315.420 4.816 30 20 DJED CC(C)C[C@@]1(C)CCCN1Cc1ccc(C#N)cc1OC(F)F 1460136634 PIFIDLWKOBJSPO-GOSISDBHSA-N 322.399 4.560 30 20 DJED Cc1ccc2sc(N[C@@H]3CCc4cc(C#N)ccc43)nc2c1C 1472773669 DXRWYNRJKUPGAU-MRXNPFEDSA-N 319.433 4.884 30 20 DJED Cc1c(Cl)cccc1-n1ccnc1S[C@@H]1CC[C@@H](C#N)C1 1472952789 GIHSDWDYUBEPNN-CHWSQXEVSA-N 317.845 4.619 30 20 DJED CCC[C@@]1(C)CCCN(Cc2ccc(C#N)cc2OC(F)F)C1 1473193102 RCRNYUXQBSEKRY-SFHVURJKSA-N 322.399 4.562 30 20 DJED CC(C)O[C@H](COc1ccc(C#N)cc1Cl)c1ccccc1 1559347531 BVNPGRZUQGOGPL-GOSISDBHSA-N 315.800 4.757 30 20 DJED C[C@H]1C[C@@H](c2ccccc2)N(c2nc(C(C)(C)C)ccc2C#N)C1 1612362391 NPZGGCUYEBTGMT-YJBOKZPZSA-N 319.452 4.838 30 20 DJED CC1(C)CCc2ccccc2[C@@H](NCc2cccc(C#N)c2F)C1 1617465390 QBQGENGCBRXJHT-IBGZPJMESA-N 322.427 4.891 30 20 DJED C[C@H](CC(C)(C)C#N)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 1621200626 ONFPSQSIMNCKRN-RDTXWAMCSA-N 300.421 4.680 30 20 DJED CN(Cc1ccc(C#N)cc1)CC1CCC(c2ccccc2)CC1 1657421362 XEUUGFAKFIOYHA-UHFFFAOYSA-N 318.464 4.964 30 20 DJED CCC(CC)NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1661010484 FVKWSGFBTQRMIB-UHFFFAOYSA-N 323.396 4.661 30 20 DJED CCCCCCC[C@H](CC(=O)O)NC[C@@H]1CCCC(C)(C)C1 1776783356 SOZCJQVMYCBSFX-IAGOWNOFSA-N 311.510 4.996 30 20 DJED C=CCOc1cccc(NC(=O)N[C@@H](c2ccccc2)C(C)C)c1 72025784 VYUBIICRFKXRSR-LJQANCHMSA-N 324.424 4.770 30 20 DJED N#Cc1cccc(COc2cccc(NCCC(F)(F)F)c2)c1 77245117 BFOJEVJOGNDLIY-UHFFFAOYSA-N 320.314 4.502 30 20 DJED C[C@@H]1C[C@H]1c1ccc(CNc2cccc(OCCCC#N)c2)o1 119745205 RFYGTUQKBPLKBK-RDTXWAMCSA-N 310.397 4.698 30 20 DJED CCCCCCCCCC(=O)N1CCCC[C@@H]1c1ncc[nH]1 120246651 GISMMNZVGFYHMR-MRXNPFEDSA-N 305.466 4.604 30 20 DJED CC(C)c1cnc(SCc2ccccc2C(C)(C)C#N)n1C 121729072 PAESKLWHULVBMA-UHFFFAOYSA-N 313.470 4.637 30 20 DJED C=CCCCC(=O)Nc1c(O)c(Cl)cc(Cl)c1Cl 179322066 VIPPTQINLPLAIC-UHFFFAOYSA-N 308.592 4.647 30 20 DJED C[C@H](N[C@H]1c2ccccc2CC[C@H]1C)c1ccc(OCC#N)cc1 182089984 FERZNLYKXKZVNU-VWKPWSFCSA-N 320.436 4.563 30 20 DJED N#CC1(CCCS[C@@H]2CCCc3ccccc32)CCOCC1 280859388 AQTASAYWMOQBKU-GOSISDBHSA-N 315.482 4.898 30 20 DJED C[C@@H](Nc1ccc(Cl)cc1C#N)c1cccc(OC(F)F)c1 303236716 XRTRJCYDJQRWOC-SNVBAGLBSA-N 322.742 4.986 30 20 DJED C[C@@H]1C[C@@H](C(O)=Nc2ncc(C3CCCCC3)s2)CCC1=O 329302421 NKGZBMOAMBOYET-YPMHNXCESA-N 320.458 4.784 30 20 DJED OC(CC1CCCCC1)=Nc1c[nH]nc1-c1ccccc1F 329827803 JCORJWANLDLBOY-UHFFFAOYSA-N 301.365 4.774 30 20 DJED CCN(Cc1cnc2ccccc2c1)[C@H](C)c1ccc(C#N)cc1 410333565 SUSYALYXXVGNEE-MRXNPFEDSA-N 315.420 4.690 30 20 DJED N#CCCCCSCc1cc(-c2ccccc2Cl)on1 419658587 ZYNNMQVHOYNNEV-UHFFFAOYSA-N 306.818 4.922 30 20 DJED C=CCC(C)(C)C(=O)Nc1cccc(Cl)c1OCC(F)F 429947801 UTJYIOXHSCGDSN-UHFFFAOYSA-N 317.763 4.525 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCCc1ccccc1F 432331112 JDPNCJTZXULYFW-AWEZNQCLSA-N 314.429 4.875 30 20 DJED N#Cc1cc(NCc2nc3ccc(F)cc3s2)ccc1Cl 432411958 CWXVMGLGIQJAOW-UHFFFAOYSA-N 317.776 4.573 30 20 DJED C=C[C@@](C)(CC)C(=O)N(C)c1nc2ccc(Cl)cc2s1 436464894 RPVCCBGYSBBBCO-HNNXBMFYSA-N 308.834 4.515 30 20 DJED Cc1ccccc1Oc1ccccc1CN[C@@H]1CC[C@@H](C#N)C1 442780345 MXBAHFDNTYFFBE-SJLPKXTDSA-N 306.409 4.569 30 20 DJED Cc1ccc(SCC(F)(F)F)c(N[C@@H]2CC[C@@H](C#N)C2)c1 442853735 JMQGHIIHDXXFTB-VXGBXAGGSA-N 314.376 4.754 30 20 DJED CCCC[C@H](C)C(=O)N(Cc1ccco1)c1ccccc1C#N 443492028 NSDYAZUKAJCRJB-HNNXBMFYSA-N 310.397 4.511 30 20 DJED COc1cccc([C@@H]2C[C@H](C)CN2CCCCC(C)(C)C#N)c1 444689147 MKDSGPCJLILGKE-LPHOPBHVSA-N 314.473 4.798 30 20 DJED Cc1ccc([C@H]2OCCC[C@@H]2CNc2ccc(C#N)cc2F)cc1 463065375 WHFVHLBBURGJOY-YLJYHZDGSA-N 324.399 4.586 30 20 DJED CC#CCCCC(=O)Nc1ccccc1O[C@H](C)c1ccccc1 466862324 TUKONUQMPLCQGB-QGZVFWFLSA-N 321.420 4.959 30 20 DJED C=CCN(CC1CCCCC1)C(=O)C[C@H](CC#N)c1ccccc1 475905988 OBSXLWZATZVXBB-FQEVSTJZSA-N 324.468 4.669 30 20 DJED C[C@@H]1CC(C)(C)N(C(=O)c2ccc(C#N)s2)c2ccccc21 479271799 BVHLYWHCPYFEBP-GFCCVEGCSA-N 310.422 4.552 30 20 DJED C=C(C)[C@@H](N[C@H](C)c1ncccc1CC)c1ccc(F)c(F)c1 480665698 QHTKYVURDCEDAC-FZKQIMNGSA-N 316.395 4.890 30 20 DJED C=CC[C@@H](C(=O)N(C)Cc1ccccc1Cl)c1ccccc1 487651703 DTDQRJNLICAMOU-QGZVFWFLSA-N 313.828 4.658 30 20 DJED Cc1csc(CNc2ccc(Oc3ccccc3)c(C#N)c2)n1 488194614 APZLBWLPKOENAT-UHFFFAOYSA-N 321.405 4.728 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N(C)c1ccc(C#N)cc1 489902757 WOCOZJKEKUDHBO-DOTOQJQBSA-N 318.420 4.511 30 20 DJED CC(C)[C@H](C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 498090958 LWZYFKUIWVISCB-AWEZNQCLSA-N 308.381 4.581 30 20 DJED C[C@@H](CC1CCCC1)C(=O)Nc1sc2c(c1C#N)CCCC2 510187918 USTGHXSGKTYUGG-LBPRGKRZSA-N 316.470 4.653 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)c1cccc(F)c1 512531858 KDEYVPIMJMGXEB-INIZCTEOSA-N 315.436 4.742 30 20 DJED C=CCCC(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 522596267 XQTAOYUHYFSFLN-CRAIPNDOSA-N 301.430 4.687 30 20 DJED N#Cc1cnc(Oc2cccc(Oc3ccccn3)c2)c(Cl)c1 524438310 IPCYFZXKCYARPO-UHFFFAOYSA-N 323.739 4.586 30 20 DJED Cc1ccc2sc(CN(C)[C@@H](C)c3cccc(C#N)c3)nc2c1 528522613 BHPNDVSXYXZLNM-AWEZNQCLSA-N 321.449 4.669 30 20 DJED C=CCCCCCN(C)[C@@H](C)c1nc(-c2cccs2)no1 532570572 AUPKTGHNGTXFON-ZDUSSCGKSA-N 305.447 4.537 30 20 DJED CC[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1F 539608572 RZBHNYKFBYPCRM-BBATYDOGSA-N 318.342 4.777 30 20 DJED CC[C@H](c1ccc(Br)cc1)N1CCC(CC#N)CC1 542882870 HXQVUEHVODFXOU-MRXNPFEDSA-N 321.262 4.526 30 20 DJED C=CCCO[C@H](C)c1nc(-c2cc(Cl)cc(Cl)c2)no1 546994940 ZTEDWXMLJXDTCT-SECBINFHSA-N 313.184 4.697 30 20 DJED C=CCC[C@H](C(=O)N[C@@H](C)Cc1ccsc1)c1ccccc1 547630978 AHXGEGJNGOTSJK-YJBOKZPZSA-N 313.466 4.545 30 20 DJED N#Cc1cccc(CN2CC[C@@H](C(F)(F)F)c3ccccc32)c1 552085272 XKGOBCWWEXHZNC-MRXNPFEDSA-N 316.326 4.614 30 20 DJED C[C@H](N[C@H]1C[C@H](c2ccccc2Cl)C1)c1ccc(C#N)cc1 556259694 FQWYFKNXJYXACT-JQFCIGGWSA-N 310.828 4.808 30 20 DJED CC[C@H](NCc1c(C)oc2ccccc12)c1ccc(C#N)cc1 569914573 YQMYGUBCDFGBAT-IBGZPJMESA-N 304.393 4.854 30 20 DJED Cc1ccc(OC(F)F)c([C@H](C)NCC(C)(C)CCC#N)c1 570472292 KNOSGEKYXDBTRP-ZDUSSCGKSA-N 310.388 4.577 30 20 DJED C[C@@H](CC(=O)N(CCC#N)c1ccc(F)cc1)C1CCCCC1 583222107 YUMJQMLNKWWIFC-HNNXBMFYSA-N 316.420 4.679 30 20 DJED C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCC[C@@H](C)C3)c2C#N)C1 610167935 DVHDUQHMZMQZMV-JHJVBQTASA-N 316.470 4.509 30 20 DJED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(Cl)c(F)c1 611248662 WURGNKBSMJQJOR-NEPJUHHUSA-N 302.780 4.763 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(Cl)cc1Cl 618742543 ZEVQLCOSJGKTKS-QGZVFWFLSA-N 317.219 4.642 30 20 DJED C=CCC1(NCC(=O)Nc2c(C)cccc2C(C)C)CCCC1 661851516 UKUZDCPENJSZCK-UHFFFAOYSA-N 314.473 4.535 30 20 DJED CCC(C)=NNc1ncnc2scc(-c3ccc(F)cc3)c12 725839688 PNSDCLMIUDSHTO-UHFFFAOYSA-N 314.389 4.695 30 20 DJED CSc1ccc(C(=O)/C=C\c2cccc(F)c2F)cc1F 741848120 WGAAOTHOIWSLBW-ALCCZGGFSA-N 308.324 4.722 30 20 DJED CC(=NN=C(C)c1cnccn1)c1ccc(C2CCCCC2)cc1 745201985 PKZCRXLFFKVANL-UHFFFAOYSA-N 320.440 4.758 30 20 DJED COc1ccc(/C=C/C(=O)c2cc3cc(C)c(C)cc3o2)cc1O 749132047 JDZBLEHPCQXRPL-GQCTYLIASA-N 322.360 4.660 30 20 DJED Cc1csc([C@H](C#N)C(=O)C[C@H]2C[C@@H](C)c3c(C)cccc32)n1 753890842 BFRJPORWDMMKPE-XNRPHZJLSA-N 324.449 4.617 30 20 DJED C#CC[C@H](NC(=O)N(C1CCC(C)CC1)C1CC1)c1ccccc1 757763920 ULBIXKUGUPIYDL-NLPFYKDJSA-N 324.468 4.504 30 20 DJED O=C(/C=C\c1cc(F)ccc1Br)c1cccs1 761202906 ZKUQTYOIOCRLOJ-UTCJRWHESA-N 311.175 4.546 30 20 DJED O=C(/C=C/c1cccc(-c2cccnc2)c1)c1cc(F)cc(F)c1 768490425 PIZQEGDRVMWRFF-VOTSOKGWSA-N 321.326 4.923 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2ccc3ccccc3c2)c(F)c1 772801961 JHUBSDGIBTXVLH-KTKRTIGZSA-N 301.320 4.747 30 20 DJED C=CCN(C)Cn1c(=S)sc2ccc(C(F)(F)F)cc21 777544569 PDJWZNHUAXGOSD-UHFFFAOYSA-N 318.389 4.526 30 20 DJED Clc1cccnc1NN=C1c2ccccc2-c2ccccc21 917549671 YVMXPTZPFWZXBL-UHFFFAOYSA-N 305.768 4.580 30 20 DJED Cc1ccc(C(=O)N2CCCCc3c(Cl)cccc32)cc1C#N 1127831193 DRVHQBVMJASCIV-UHFFFAOYSA-N 324.811 4.503 30 20 DJED CCC(CC)CN(CCC#N)Cc1ccc(Cl)cc1OC 1167559080 XDCQTCPYAXGHII-UHFFFAOYSA-N 308.853 4.500 30 20 DJED C=CCn1cnnc1S[C@H](C)c1cc(Cl)ccc1Cl 1319628462 JCCUULJWSLEAFL-SECBINFHSA-N 314.241 4.624 30 20 DJED C=CC[C@@H](C(=O)Nc1ccn(C2CCCCC2)n1)c1ccccc1 1343817421 RBFLZWRLXZHYRR-GOSISDBHSA-N 323.440 4.687 30 20 DJED Cc1ccc(C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)cc1C#N 1355050873 SDKNVMLVQKRWJM-IBGZPJMESA-N 320.436 4.774 30 20 DJED N#Cc1nc(NC[C@@H]2CCC[C@@H]2c2ccccc2)sc1Cl 1458408292 ULQPKLWUJGSIGS-QWHCGFSZSA-N 317.845 4.664 30 20 DJED Cc1cc(C)c(C#N)c(SCc2ccc(Cl)c(F)c2)n1 1458772612 TUOFLVMNRPIQFP-UHFFFAOYSA-N 306.793 4.655 30 20 DJED CCN(Cc1ccc(C#N)cc1Cl)[C@@H](C)Cc1ccsc1 1459999500 ZMFDLGGEWGXRMM-ZDUSSCGKSA-N 318.873 4.726 30 20 DJED CC(C)(C#N)CCCN1CCC[C@@]1(C)Cc1ccc(F)cc1 1460269096 IJMKLBZKDABPLG-IBGZPJMESA-N 302.437 4.553 30 20 DJED C[C@@H](OC(=O)c1cc(Cl)ccc1Cl)c1cccc(C#N)c1 1533357780 KPPLLUVVUUOOEN-SNVBAGLBSA-N 320.175 4.783 30 20 DJED CC1(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)CCCCCC1 1536630222 PXQZQHVEWCJWAP-UHFFFAOYSA-N 324.468 4.625 30 20 DJED CC[C@H](C)c1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)cc1 1545081999 IPQIRESRVJDSHZ-JXFKEZNVSA-N 320.436 4.975 30 20 DJED N#C[C@H]1CC[C@@H](NCc2ccc(-c3ccccc3Cl)s2)C1 1560512188 KJEOKPLTXGEMFB-QWHCGFSZSA-N 316.857 4.850 30 20 DJED Cc1ccc(CN(C(=O)c2ccc(CC#N)cc2)C(C)(C)C)cc1 1587919055 GPNMCHZXLJOGMF-UHFFFAOYSA-N 320.436 4.502 30 20 DJED CC[C@@H](C#N)C(=O)Nc1ccc(Sc2ccc(C)cc2C)cc1 1624027307 OLUNDNHDTQLHHR-HNNXBMFYSA-N 324.449 4.943 30 20 DJED C[C@H]1CCC[C@H](CCN2CC=C(c3ccc(C#N)cc3)CC2)C1 1645154024 YFQRFUDJANQDBP-ZWKOTPCHSA-N 308.469 4.864 30 20 DJED Cc1ccccc1C[C@@H](C)Nc1nc(C(C)(C)C)ccc1C#N 1650706465 OOGFNEMKJGLAEU-OAHLLOKOSA-N 307.441 4.602 30 20 DJED Cc1cc(Sc2nc3cccc(F)c3s2)ccc1C#N 1651969398 CXTPTQQNQIHPPD-UHFFFAOYSA-N 300.383 4.767 30 20 DJED CC[C@H](C)c1ccc(/C=C/C(=O)c2cccc(C(=O)O)c2)cc1 1776698212 ILMQJKSTZIRMMK-TZIYXEQSSA-N 308.377 4.794 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1csc(C(C)C)n1 47740859 NSBRGDZCCLCJTQ-UHFFFAOYSA-N 313.470 4.550 30 20 DJED C/C=C(/C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 89967210 QLVLKMQREMYCKC-CQDYJGNSSA-N 316.813 4.606 30 20 DJED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(F)c(F)c1 90664556 AAOUCDGCGCWRQJ-ACJLOTCBSA-N 300.352 4.660 30 20 DJED C[C@@H](c1ccc(Cl)c(Cl)c1)[S@](=O)CCC(C)(C)C#N 123484263 AUPQVQWAGFVPMU-OVWNDWIMSA-N 318.269 4.743 30 20 DJED Cc1c(NCCCC(C)(C)C#N)cccc1OCC(F)(F)F 153796693 WNEZUGWHYYXMHD-UHFFFAOYSA-N 314.351 4.678 30 20 DJED C[C@@H](Sc1cccc(C#N)c1)c1nc(-c2cccs2)no1 177101921 KBKPQJDEESDJMA-SNVBAGLBSA-N 313.407 4.523 30 20 DJED C=C(Cl)COc1ccc([C@H](C)NCc2ccsc2)cc1 178026053 UTJWOONUWIXEEC-ZDUSSCGKSA-N 307.846 4.730 30 20 DJED C[C@H](Nc1cccc(CN2CCCCC2)c1)c1ccc(C#N)cc1 179753213 HHBCNJVRDLJXKJ-KRWDZBQOSA-N 319.452 4.717 30 20 DJED CC(C)(C#N)CCCCSc1ccc(Br)cn1 232523965 XMJSPVRYVJJPTH-UHFFFAOYSA-N 313.264 4.656 30 20 DJED C=CCOc1ccc(CN[C@@H](CC)c2ccc(OC)cc2)cc1 236943727 HITDPYDCDOLHMD-FQEVSTJZSA-N 311.425 4.501 30 20 DJED C=CCOc1ccc(CN[C@H]2CCc3c(Cl)cccc32)cc1 237786362 UGXGQXVBOUXNSF-IBGZPJMESA-N 313.828 4.682 30 20 DJED CCC(=O)Nc1ccc(N=Cc2c(O)ccc3ccccc23)cc1 255780094 YFZMPUYVCPVQDD-UHFFFAOYSA-N 318.376 4.645 30 20 DJED CC(=NNc1nc2ccccc2s1)c1cc2ccccc2o1 263625696 DXEJMYMBLWETEE-UHFFFAOYSA-N 307.378 4.879 30 20 DJED Cc1cc(C)c2nc(N=C(O)C[C@H]3CCC(=O)[C@H]3C)sc2c1 330001012 XLGZHAHBURZMKS-NWDGAFQWSA-N 316.426 4.506 30 20 DJED C[C@@H](NCc1ccc(CC#N)cc1)c1cc(Cl)ccc1Cl 426731328 OPXXLBGSGULMLH-GFCCVEGCSA-N 319.235 4.910 30 20 DJED N#Cc1cccc(/C=C/c2nc(-c3cc4ccccc4o3)no2)c1 445663274 GLIAZFUQKQDOOF-CMDGGOBGSA-N 313.316 4.525 30 20 DJED C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cccc(C2CC2)c1 453247709 OQCGRTBNVDWHJO-LHSJRXKWSA-N 302.421 4.774 30 20 DJED Cc1ccc([C@H](C)N(C)C(=O)Nc2cccc(CC#N)c2)c(C)c1 455916525 IRDDVXRLLIOYFM-INIZCTEOSA-N 321.424 4.594 30 20 DJED CC(C)[C@H]1N(C(=O)C[C@H](CC#N)c2ccccc2)CC12CCCC2 457146701 PKBFRZPKAZIYLR-AZUAARDMSA-N 324.468 4.501 30 20 DJED C=C[C@@](C)(CC)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 467119966 MXXHKHIOCGTBIJ-HNNXBMFYSA-N 300.229 4.554 30 20 DJED CCc1c(N[C@@H](C)c2ccc(C#N)cc2)cnn1C(CC)CC 477925040 HKQJXLAHTMVEKZ-AWEZNQCLSA-N 310.445 4.851 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1cccc(OC2CCCC2)c1 487854176 FFDVSLNGDKAHPJ-INIZCTEOSA-N 314.429 4.580 30 20 DJED C=CC[C@H](C(=O)N(CC=C)Cc1ccccc1F)c1ccccc1 488704013 QJDJAKXRRGDIFU-IBGZPJMESA-N 323.411 4.700 30 20 DJED C=CCN(CC=C)C(=O)[C@H](C)S[C@@H](C)c1ccccc1Cl 498107610 SBICXSWAUNOJFT-KBPBESRZSA-N 323.889 4.723 30 20 DJED C[C@H]1CCc2c(sc(NC(=O)C3CCCCCC3)c2C#N)C1 523585245 YMEGSMJAQXLPKG-LBPRGKRZSA-N 316.470 4.653 30 20 DJED CC(C)(C#N)CCN[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 527328930 COUKZNNRGYQYKL-JKSUJKDBSA-N 324.390 4.871 30 20 DJED CC(C)[C@H](NCc1cccc(C#N)c1)c1ccc(Cl)cc1F 540989921 ZRBGLLPESUYDJN-SFHVURJKSA-N 316.807 4.838 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCC[C@H](C(F)(F)F)C1 557517897 SJOFKMHILLLFKV-ZOBUZTSGSA-N 322.374 4.646 30 20 DJED N#CCC[C@@H](C#N)CNc1ccc(CCCc2ccccc2)cc1 579701638 KAOTWUBAGHFAIN-FQEVSTJZSA-N 317.436 4.717 30 20 DJED C=CCCC(=O)N(Cc1ccc(C)cc1)[C@H]1CCc2ccccc21 588030223 FZOKPLROAAEGQK-NRFANRHFSA-N 319.448 4.977 30 20 DJED Cc1cc(C)c(C#N)c(SCc2cccc(OC(C)C)c2)n1 603743223 CHVIDSMDPKQDKK-UHFFFAOYSA-N 312.438 4.650 30 20 DJED N#Cc1ccc(CN(Cc2ccoc2)C2CCCCC2)c(F)c1 610215357 GQQOOPLBRZAWTG-UHFFFAOYSA-N 312.388 4.625 30 20 DJED C=CCOC(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1 730399076 RWHKAULYOVGTMA-INIZCTEOSA-N 320.360 4.527 30 20 DJED Cc1ccc(-c2ncc(C=NN[C@H](C)c3ccccc3)s2)cc1 734295915 KQIUIFZAYBDLJL-OAHLLOKOSA-N 321.449 4.803 30 20 DJED CC(C)CN(CCC#N)Cc1ccc(-c2ccccc2C#N)cc1 740878747 WDIGIZNNTVLLNK-UHFFFAOYSA-N 317.436 4.597 30 20 DJED CC(C)(C)c1ccc(/C=C\C(=O)c2ccc3c(c2)COC3)cc1 742437559 VKASOXHLXWCCNI-WDZFZDKYSA-N 306.405 4.910 30 20 DJED CC(=NNc1ncccc1Cl)c1ccc(-c2ccncc2)cc1 745195312 IDEMIVJAQNNBNS-UHFFFAOYSA-N 322.799 4.633 30 20 DJED Clc1ccc(-c2ccc(C=NOCc3cccnc3)o2)cc1 746586356 WVRRKUKTQGBXBJ-UHFFFAOYSA-N 312.756 4.546 30 20 DJED CC(C)n1cc(C(=O)/C=C\c2cc(Cl)cc(Cl)c2)cn1 746686729 JQMGSFVYAQTIDD-ARJAWSKDSA-N 309.196 4.667 30 20 DJED CCn1nc(C)c(C(=O)/C=C/c2cccc3ccccc23)c1C 750913529 OIISEBQTMUHZPL-OUKQBFOZSA-N 304.393 4.569 30 20 DJED CCC1(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCC1 751233163 NJABCKFXIOBHBL-LJQANCHMSA-N 318.420 4.861 30 20 DJED O=C(/C=C\c1cnc(C2CCC2)s1)c1ccc(Cl)cc1 760264973 QCONFYMYLXSJNI-HJWRWDBZSA-N 303.814 4.960 30 20 DJED Cc1cc(/C=C/C(=O)c2ccc(-c3ccncc3)cc2)ccc1C#N 766491752 QFHDBNCBRPVFKT-YCRREMRBSA-N 324.383 4.825 30 20 DJED CCc1nn(C)cc1/C=C/C(=O)c1cccc(-c2ccccc2)c1 770572447 IIETVJQJCNKDMF-OUKQBFOZSA-N 316.404 4.546 30 20 DJED CC[C@@H](Nc1ccc2cc(C#N)ccc2n1)c1ccccc1OC 771653881 OQMJEZSFBNZBRE-QGZVFWFLSA-N 317.392 4.678 30 20 DJED CC(=NNc1cccc(Cl)n1)c1ccc(C(F)(F)F)cc1 793174148 IWXBOWXFVVKXBW-UHFFFAOYSA-N 313.710 4.590 30 20 DJED Cc1cccnc1[C@H]1CCCC(=NNc2ncccc2Cl)C1 799109057 UBRKFHMWFPHRJZ-ZDUSSCGKSA-N 314.820 4.564 30 20 DJED N#Cc1ccccc1C(=O)/C=C/c1ccc(C(F)(F)F)s1 799499811 OOZRQOKCTOWJHG-FNORWQNLSA-N 307.296 4.535 30 20 DJED Cc1cc(C(=O)/C=C\c2nc(-c3ccccc3)cs2)oc1C 799895678 CTBLVCVCHAEJLB-HJWRWDBZSA-N 309.390 4.916 30 20 DJED CC(C)c1cccc(C[S@@](=O)CCCCC2(C#N)CCC2)c1 899413668 PMQQJTKKZCWDFR-QFIPXVFZSA-N 317.498 4.923 30 20 DJED CC[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(C#N)c1 902874774 IXDCGUOLHPQJOJ-KSSFIOAISA-N 323.396 4.577 30 20 DJED O=C(/C=C\c1ccc(F)cc1F)c1cccc(C(F)(F)F)c1 916137487 YYSALKYSYCQZQL-ALCCZGGFSA-N 312.237 4.880 30 20 DJED C=CCNC(=S)N(CC1CCCCC1)CC1CCCCC1 920079079 NMWUUCHBZFANDO-UHFFFAOYSA-N 308.535 4.510 30 20 DJED Cc1cc(C(=O)Nc2cccc(C#N)c2)sc1-c1ccccc1 1124203537 JYWBKOFUAZIUJI-UHFFFAOYSA-N 318.401 4.848 30 20 DJED COc1cccc(C2(CNc3cccc(F)c3C#N)CCCC2)c1 1162476625 WAHXDJGLSWPBGN-UHFFFAOYSA-N 324.399 4.630 30 20 DJED CC[C@@H]1CC[C@@H](C)N1Cc1ccc(-c2ccccc2C#N)cc1 1168570867 UFSKAHRJPZIMAH-OXQOHEQNSA-N 304.437 4.988 30 20 DJED CC[C@@H]1CCCC[C@@H]1N(C)Cc1cc(Cl)ccc1OCC#N 1169331644 JZDXUDFYZFLHKA-PBHICJAKSA-N 320.864 4.643 30 20 DJED C[C@@H]1CCCc2ccccc2[C@H]1Nc1nc(C#N)c(Cl)s1 1186043069 GFDLPEYDSIZYKI-YGRLFVJLSA-N 317.845 4.794 30 20 DJED Cc1ccccc1C(C)(C)CNc1nc(C(C)(C)C)ccc1C#N 1306952816 AZLLTGROYSJWIS-UHFFFAOYSA-N 321.468 4.949 30 20 DJED CC(C)c1c(N[C@H](C)CC(C)(C)C#N)cnn1-c1ccccc1 1308735958 GSANSRYPCYTPPH-OAHLLOKOSA-N 310.445 4.736 30 20 DJED N#Cc1cccc(NC(=O)c2ccc(C3CCCCC3)cc2)c1 1349704851 XSOUGFNYBQDFTQ-UHFFFAOYSA-N 304.393 4.858 30 20 DJED CC[C@H](C)N(CC)C(=O)Nc1ccccc1S[C@H](C)CC#N 1354580413 QZZOIPZCAKSKMW-UONOGXRCSA-N 319.474 4.733 30 20 DJED C[C@H](Nc1nc(C#N)c(Cl)s1)c1cccc2ccccc12 1458049347 LYUNCCWIVYPUMT-JTQLQIEISA-N 313.813 4.994 30 20 DJED CCC(CC)N(C(=O)c1cc(C#N)ccc1F)c1cccc(C)c1 1459802358 VWVZILBKIIRJJU-UHFFFAOYSA-N 324.399 4.841 30 20 DJED N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccccc1C1CC1 1473179665 HSWWSHOVJKDGFE-FCHUYYIVSA-N 316.448 4.836 30 20 DJED C[C@@H](CC(C)(C)C#N)Nc1cccc(-c2ncc3n2CCCC3)c1 1474478465 CSLHUDPJJDYRSZ-HNNXBMFYSA-N 322.456 4.627 30 20 DJED CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)CC1(C#N)CCCCC1 1532980530 ZLILOFSEAUZNNP-HOTGVXAUSA-N 304.478 4.572 30 20 DJED CCCCc1oc2ccccc2c1CN(C)c1ncccc1C#N 1611742048 PULDHLKXIJLSAT-UHFFFAOYSA-N 319.408 4.678 30 20 DJED Cc1cc(C#N)nc(N[C@@H](CC2CCCCC2)c2ccccc2)n1 1611915193 VJUBLKYSOFBTRA-IBGZPJMESA-N 320.440 4.780 30 20 DJED CCC[C@@H]1CCCC[C@@H]1CNc1c(C#N)nnc2ccccc12 1612487897 MCBCWBUANMDLQY-HUUCEWRRSA-N 308.429 4.520 30 20 DJED CCc1nc(C)c([C@@H](C)N(C)CCC2(C#N)CCCCC2)s1 1615607801 PAISTIJZUPDSGF-OAHLLOKOSA-N 319.518 4.871 30 20 DJED CCC[C@@H](CC)Sc1nccc(Oc2cccc(C#N)c2)n1 1639876515 KKVIUYASGIAAGA-OAHLLOKOSA-N 313.426 4.811 30 20 DJED Cc1cc(SCc2cnc(-c3ccccc3)nc2)ccc1C#N 1641226063 KGCURBXUIFFRAE-UHFFFAOYSA-N 317.417 4.616 30 20 DJED CC[C@@H](c1ccccc1)N(Cc1ccc(OCC#N)cc1)C(C)C 1643936356 RPNDDGOKSNFWTC-NRFANRHFSA-N 322.452 4.951 30 20 DJED N#CCC[C@H](NC1CCc2ccccc2CC1)c1ccccc1 1650808269 ZKNWCVGPOAZNDL-NRFANRHFSA-N 304.437 4.569 30 20 DJED CCc1cc2c(N[C@H](C)c3cccc(C#N)c3)nc(C)nc2s1 1652217479 CNTCYSLGHQNWKR-LLVKDONJSA-N 322.437 4.607 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C/C=C\c1ccc(Cl)cc1 1653973121 WFPYPQFBXHIBHU-VOKGJARPSA-N 310.828 4.918 30 20 DJED N#Cc1ccc(OCc2cccc(Br)c2Cl)cc1 1656051708 VOVWNUMULIJQDI-UHFFFAOYSA-N 322.589 4.553 30 20 DJED COc1ccccc1[C@H]1CCCCN1Cc1ccc(C#N)c(C)c1 1659091711 OKPIDLPRPICBSP-HXUWFJFHSA-N 320.436 4.603 30 20 DJED CC(C)c1ccc(CCN(Cc2ccc(C#N)cc2)C2CC2)cc1 1664007430 KMSSCFOPSKXSPO-UHFFFAOYSA-N 318.464 4.889 30 20 DJED CC[C@@H](C)CON=Cc1ccc(-c2cccc(C(=O)O)c2)s1 1776112423 ZTGJKQHGKDCVPC-GFCCVEGCSA-N 317.410 4.510 30 20 DJED C=CCCC[C@H](Nc1nc(C)ccc1C(=O)O)c1ccccc1 1776172090 RYEMUPOWVWCEFJ-KRWDZBQOSA-N 310.397 4.598 30 20 DJED Cc1nn(-c2ccccc2)c(C)c1N[C@@H](C)c1ccc(C#N)cc1 118443163 RFBIDAQFUVTIFU-AWEZNQCLSA-N 316.408 4.534 30 20 DJED C[C@@H](NCc1cc(C#N)ccc1F)c1ccc2ccccc2c1 120101151 WXEUOODSRDODNN-CQSZACIVSA-N 304.368 4.701 30 20 DJED Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2cccc(C#N)c2)o1 121587299 AOPHZWSYOHHHIF-KRWDZBQOSA-N 323.396 4.609 30 20 DJED COc1cc(C(C)=O)ccc1S[C@H](C)c1ccc(C#N)cc1 123063269 WKHAIHQZWWYTRQ-CYBMUJFWSA-N 311.406 4.623 30 20 DJED CCCCCCCCCC(=O)N1CCC[C@H]1c1ccncc1 127848090 PDZGUIAJXOPFBT-SFHVURJKSA-N 302.462 4.886 30 20 DJED O=C(/C=C\c1ccc(C(F)(F)F)cc1)c1ccc(Cl)nc1 140328616 XJCDXTKFVYINFS-CLTKARDFSA-N 311.690 4.650 30 20 DJED C=CCC[C@@H](NCc1nnc(-c2ccccc2)o1)c1ccccc1 180045467 DWUHLFLKVVRNCO-GOSISDBHSA-N 319.408 4.534 30 20 DJED N#Cc1ccccc1C(=O)/C=C/c1cnc(-c2cccs2)s1 194585856 QKBDPNYWVKMNEJ-BQYQJAHWSA-N 322.414 4.639 30 20 DJED N#CCOc1ccc(C(=O)/C=C\c2cccc3ccccc23)cc1 213639887 BNWNSLDWYFDJMH-RAXLEYEMSA-N 313.356 4.638 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1)c1cc(Cl)sc1Cl 222044352 FMVSYICCQWFSIF-SECBINFHSA-N 311.237 4.777 30 20 DJED C[C@H](Nc1ncccc1C#N)c1ccc(Cl)c2ccccc12 302157565 FPJZGFSAJDRFQN-LBPRGKRZSA-N 307.784 4.933 30 20 DJED N#CCc1cccc(NCc2cc(F)cc(C(F)(F)F)c2)c1 313435427 GSIUOTWOLPQAFB-UHFFFAOYSA-N 308.278 4.523 30 20 DJED COc1ccc(C)cc1CNc1ccc(C#N)c(C(F)(F)F)c1 321085264 MKHZNJLNNLAWTN-UHFFFAOYSA-N 320.314 4.506 30 20 DJED CCCCCCCCCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 321315784 DUODHMILCHPIHX-HNNXBMFYSA-N 315.461 4.881 30 20 DJED C[C@@H]1C[C@@H](C(O)=Nc2ccc(-c3cncnc3)cn2)CC(C)(C)C1 328837682 TVWYYPRGGVTBLR-UKRRQHHQSA-N 324.428 4.589 30 20 DJED C[C@@H]1CC[C@H](CC(O)=Nc2csc(-c3ccccn3)n2)C1 329671666 UDIPWGQDESEVJI-NEPJUHHUSA-N 301.415 4.619 30 20 DJED Cc1cc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c(C)s1 341756055 BSXAOAOVYPSNAR-YJYMSZOUSA-N 310.466 4.965 30 20 DJED C[C@H](CC1CCCC1)C(=O)Nc1ccc(Cl)cc1CC#N 410971245 SDSHDJGTRNVQOR-GFCCVEGCSA-N 304.821 4.561 30 20 DJED CC(C)(C)c1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1 435046828 XRFSHNFDWLYAHN-UHFFFAOYSA-N 318.420 4.526 30 20 DJED C=CCNC(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 438867281 RTUVZYRWDOQTNM-AWEZNQCLSA-N 312.438 4.847 30 20 DJED CSc1ccccc1[C@H](C)NCc1ccc(C#N)cc1Cl 440615849 QAOLEPIVGRTWMU-LBPRGKRZSA-N 316.857 4.784 30 20 DJED Cc1cccc2nc(CS[C@H](C)c3cccc(C#N)c3)cn12 443157220 QJTFPPPAZRNBAS-CQSZACIVSA-N 307.422 4.509 30 20 DJED CC(C)(C#N)CCCCN1CC[C@H](CSc2ccccc2)C1 444641098 DDLLZZFOCBECRV-KRWDZBQOSA-N 316.514 4.821 30 20 DJED C=CCCO[C@H](C)c1nc(-c2ccc(SCC)cc2)no1 445764597 BZFJYYNOVPOALZ-GFCCVEGCSA-N 304.415 4.502 30 20 DJED CC[C@H](CC#N)N[C@@H](CCc1ccccc1)Cc1ccccc1 462065296 MBCKJBWKJROXGZ-RTWAWAEBSA-N 306.453 4.512 30 20 DJED C=CCCCC(=O)NC[C@@H](C)c1c(Cl)cccc1Cl 479651172 KFBLCQUPGZMYNE-LLVKDONJSA-N 300.229 4.569 30 20 DJED N#Cc1cc(Cl)cc(OCc2ncc(-c3cccs3)o2)c1 487302379 VHSQOZRDPRXIPU-UHFFFAOYSA-N 316.769 4.507 30 20 DJED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1cc2ccccc2s1 494905813 FLFMACRNYNLQGF-DZGCQCFKSA-N 314.454 4.712 30 20 DJED CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc(Oc2ccccc2)cc1 499486090 SVFIWCRKIJWSAP-FQEVSTJZSA-N 322.408 4.537 30 20 DJED Cc1ccc(-c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)cc1F 515091762 PSIAGPSTWDVHCW-UHFFFAOYSA-N 321.355 4.652 30 20 DJED C=CCCO[C@H](C)C(=O)N(CC(C)C)[C@H](CC)c1ccccc1 518395978 VFLHWQCWPOPEOH-IEBWSBKVSA-N 317.473 4.604 30 20 DJED C=CC[C@@H](C)N[C@@H](Cc1cccnc1)c1ccc(Cl)cc1 544826880 HMLIIUGSXOMZRY-KDOFPFPSSA-N 300.833 4.573 30 20 DJED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cc(F)ccc1F 552969311 LSVLGQPOTVTIIY-HXPMCKFVSA-N 312.363 4.565 30 20 DJED C=CCC(CC=C)C(=O)N1CCC(c2ccc(F)cc2C)CC1 552972665 JBAKRDLWAWWTOA-UHFFFAOYSA-N 315.432 4.609 30 20 DJED Cc1ccc(C)c([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c1 574183504 JSABRUBUPJWFHM-IERDGZPVSA-N 304.437 4.903 30 20 DJED CSc1ccc(Cl)cc1N[C@@H](C)CC1(C#N)CCOCC1 602492124 RQUHCKDZRJCCQV-LBPRGKRZSA-N 324.877 4.573 30 20 DJED C=CCCCCCN(C)C(=O)N[C@@H](CC)c1cc(F)ccc1F 607252750 SFNAXQYGJRLRIY-KRWDZBQOSA-N 324.415 4.804 30 20 DJED COc1ccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1Cl 610346481 VOAQCZAOEOGWGN-STQMWFEESA-N 314.816 4.632 30 20 DJED N#C[C@H]1CCC[C@H](NCCc2ccc(-c3ccccc3)cc2)C1 613255432 BJXLQPGFAJIDFF-RXVVDRJESA-N 304.437 4.568 30 20 DJED C#CCOc1ccc(CN[C@H](C)c2oc3ccccc3c2C)cc1 733325113 XXQUMKNJUHNISB-MRXNPFEDSA-N 319.404 4.604 30 20 DJED Cc1ccc(C)c(C(=O)/C=C\c2cccc(OC(F)F)c2)c1 747064544 YJNMPFQZHZDIOB-HJWRWDBZSA-N 302.320 4.801 30 20 DJED CC(=NNc1nc(-c2cccc(C#N)c2)cs1)c1ccccc1 747699706 VRMKYKYGDIXQMC-UHFFFAOYSA-N 318.405 4.518 30 20 DJED COc1cccc(-c2csc(NN=C(C)c3ccccc3)n2)c1 749263229 QVYQCALTSMUMRQ-UHFFFAOYSA-N 323.421 4.655 30 20 DJED CCCn1nc(C)c(/C=C/C(=O)c2cc3ccc(C)cc3o2)c1C 754831225 YPEJOPGQDRELAK-CMDGGOBGSA-N 322.408 4.861 30 20 DJED C[C@H](Nc1cccc(OC(F)(F)F)c1)c1ccc(C#N)c(F)c1 776810337 NBVGHXIKYXKEKP-JTQLQIEISA-N 324.277 4.769 30 20 DJED CCc1cccnc1C(C)=NNc1cc(Cl)ccc1Cl 779774738 KXIVDNYLDHPDOR-UHFFFAOYSA-N 308.212 4.787 30 20 DJED Clc1ccc([C@@H]2CCCC2=NNc2ncncc2Cl)cc1 780283047 PDSJUXZPBRHHQE-LBPRGKRZSA-N 321.211 4.519 30 20 DJED N#Cc1cccc(C(=O)/C=C/c2ccc(SC(F)F)cc2)c1 781547117 PKSYMZWQOFGAOB-RMKNXTFCSA-N 315.344 4.769 30 20 DJED C/C(=C/c1ccccc1Cl)C(=O)OCCCC(C)(C)C#N 784366054 KEQIZAGCSFIXDH-QBFSEMIESA-N 305.805 4.616 30 20 DJED CC[C@@H]1CCCC[C@H]1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797567441 IGNRGAGMOXLYSF-MCIONIFRSA-N 318.486 4.833 30 20 DJED COc1cc(/C=C\C(=O)c2oc3ccccc3c2C)ccc1C#N 799495473 RSLRNWKSAFBAGL-NTMALXAHSA-N 317.344 4.518 30 20 DJED CCC(CC)CN(CCC#N)Cc1ccnc(Cl)c1Cl 811461317 KSMJYYNJLTUHAE-UHFFFAOYSA-N 314.260 4.540 30 20 DJED Cc1nn(C)c(Cl)c1/C=C/C(=O)c1ccc(C(C)(C)C)cc1 812489146 NKHAYCKUNXZLGY-ZHACJKMWSA-N 316.832 4.576 30 20 DJED C=CCCCCCCCNC(=O)N(CC)[C@@H]1CCOC(C)(C)C1 812493498 LRHYSXDSUHSQSP-QGZVFWFLSA-N 324.509 4.502 30 20 DJED CC(C)ON=C(Cc1ccccc1F)Cc1ccccc1F 835000804 RJDFHRPIWQTQAW-UHFFFAOYSA-N 303.352 4.531 30 20 DJED CCCCCCCCCCC(=O)N1CCc2ccc(O)cc2C1 917120409 SLQRHZXKBPAJTD-UHFFFAOYSA-N 317.473 4.808 30 20 DJED CC(=NNc1cc(F)cc(F)c1)c1ccc(OC(C)C)cc1 920374470 BFCYEAGCEYPKQO-UHFFFAOYSA-N 304.340 4.588 30 20 DJED CCCC[C@H](C(=O)Nc1sc(C)c(CC)c1C#N)C(C)C 1125717974 SENTZFBYTGIHPO-AWEZNQCLSA-N 306.475 4.892 30 20 DJED CCC(C)(C)c1ccc(NC(=O)c2cc(C#N)ccc2C)cc1 1128625693 NWTNUTUSOFNIPO-UHFFFAOYSA-N 306.409 4.807 30 20 DJED N#Cc1cccc(C#N)c1NCC1(c2cccc(Cl)c2)CCC1 1163942599 ZMBRACAXMWJQLL-UHFFFAOYSA-N 321.811 4.617 30 20 DJED C=C(Cl)CN(Cc1cc(Br)ccc1F)C(C)C 1167237716 PTOUEVWHRUZGJJ-UHFFFAOYSA-N 320.633 4.551 30 20 DJED Cc1ccc([C@H]2[C@@H](C)CCCN2Cc2ccc(C#N)s2)cc1 1167478833 ZBRKKOGCULULOZ-HNAYVOBHSA-N 310.466 4.901 30 20 DJED CO[C@H](CSc1ccc(C#N)cc1F)c1ccc(Cl)cc1 1188823767 WMZZTSPTGUJCFJ-OAHLLOKOSA-N 321.804 4.831 30 20 DJED COc1cc(CN2CCC[C@H]2CC2CCCCC2)ccc1C#N 1204729448 LZRAIWCKKZGNPQ-IBGZPJMESA-N 312.457 4.502 30 20 DJED CCCCN(C(=O)c1cccc(C#N)c1C)[C@@H]1CCC[C@H](C)C1 1274266567 MJIKIAVHBBFXBY-MAUKXSAKSA-N 312.457 4.688 30 20 DJED Cc1cc(C)cc(C2=CCN(Cc3ccc(C#N)cc3F)CC2)c1 1308678271 AVZMEZCAIHCLEF-UHFFFAOYSA-N 320.411 4.604 30 20 DJED Cc1ccc(C=NOCc2coc(-c3ccc(C)cc3)n2)cc1 1317797945 VYDAACKRLFBGGK-UHFFFAOYSA-N 306.365 4.509 30 20 DJED O=C(/C=C\c1ncc(-c2ccccc2)[nH]1)c1ccccc1Cl 1324737620 YRPICDAVZJBDLN-KHPPLWFESA-N 308.768 4.626 30 20 DJED CC(C)(C)c1cc(NC(=O)[C@H]2CCCC2(C)C)c(C#N)s1 1358071726 IIZVJDPZXNCBEV-LLVKDONJSA-N 304.459 4.682 30 20 DJED Cc1c(C#N)cccc1NC(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1 1435497090 PFBZLNSGHLWBEQ-GXTWGEPZSA-N 324.346 4.564 30 20 DJED CN(c1nc(C(C)(C)C)ccc1C#N)[C@H]1CCC[C@@H]1C(C)(C)C 1458446946 RBLDZNGVAYPVNY-HOTGVXAUSA-N 313.489 4.902 30 20 DJED CC(=O)[C@](C#N)(CCSc1ccccc1C)c1ccccc1 1458918201 NONQTCCUBYRYOF-LJQANCHMSA-N 309.434 4.528 30 20 DJED C=C(Br)COc1ccc(SC(F)(F)F)cc1 1459077479 XZCJATDYKLKEIB-UHFFFAOYSA-N 313.138 4.586 30 20 DJED CC(C)(C#N)c1ccccc1CN1CC[C@H]1c1ccc(F)cc1 1460366471 ZKJBIWGNXVUHNT-IBGZPJMESA-N 308.400 4.574 30 20 DJED CC(C)(CC#N)CN[C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 1462330446 YXWVYBXJNURMGT-HOCLYGCPSA-N 324.390 4.871 30 20 DJED C[C@]1(c2ccccc2)CCCN(Cc2ccc(F)c(C#N)c2)CC1 1473465162 LVZGAJXZWDAEPM-NRFANRHFSA-N 322.427 4.641 30 20 DJED CCC(CC)(CN[C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 1474640886 QFHDDCVYFXWPPD-YJBOKZPZSA-N 302.437 4.555 30 20 DJED CCC[C@@H]1CCCC[C@@H]1CNC(=O)Nc1cccc(C#N)c1C 1476267062 RFLWCIGRNHLWBA-NVXWUHKLSA-N 313.445 4.595 30 20 DJED C[C@H]1CCc2sc(NC(=O)CCC3CCC3)c(C#N)c2[C@@H]1C 1527538613 DRNZZZZMGSWKTP-NWDGAFQWSA-N 316.470 4.824 30 20 DJED Cc1cc(NCc2ccc(C#N)c(C)c2)cc(C(F)(F)F)c1 1560526044 ZAUCIUYCLWCJIL-UHFFFAOYSA-N 304.315 4.806 30 20 DJED CCCc1ccc(C(=O)N(C)[C@H](C#N)c2ccc(CC)cc2)cc1 1584071547 JYVDYAQIJUXMED-HXUWFJFHSA-N 320.436 4.538 30 20 DJED C[C@H]1CCCc2ccccc2[C@@H]1Nc1nc(Cl)c(C#N)s1 1642546517 YHXFTPZVMGCKIU-IINYFYTJSA-N 317.845 4.794 30 20 DJED C[C@@H](NCCc1ccc(C#N)cc1)c1cc2ccccc2s1 1642738085 NBUPKELCNJAQLY-CQSZACIVSA-N 306.434 4.666 30 20 DJED CCC[C@H](NCc1cc(Cl)ccc1OCC#N)C(C)(C)C 1645702304 FXURIJFGZMAMLB-INIZCTEOSA-N 308.853 4.547 30 20 DJED CCC[C@H](C)[C@@H]1CCCN1c1ccc(C#N)c(Br)c1 1650860190 QVHDUTUCALCDED-LRDDRELGSA-N 321.262 4.726 30 20 DJED CC(C)c1ccc2ncnc(Sc3ccc(C#N)cc3)c2c1 1655011051 VUYVIYMIYZFQQK-UHFFFAOYSA-N 305.406 4.776 30 20 DJED CC1(C)CN(c2nc(Cl)c(C#N)s2)c2cccc(Cl)c21 1655193011 ZLGYIHIDCCHFEG-UHFFFAOYSA-N 324.236 4.751 30 20 DJED CCC[C@@H](NCc1ccc(Br)cc1C#N)C(C)(C)C 1658685976 YKTKEDBNBVTXAM-OAHLLOKOSA-N 323.278 4.625 30 20 DJED Cc1cc(CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)ccc1C#N 1659572240 RNTAXFYBSYIRCV-KOUNCHBCSA-N 316.448 4.777 30 20 DJED O=C(O)c1cccc(C(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 1777686144 OXKQNSLELBEHDE-PKNBQFBNSA-N 318.328 4.541 30 20 DJED CCN(C)c1ccc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)cc1 90665817 FKZWATYULGIXBI-UTKZUKDTSA-N 321.468 4.838 30 20 DJED CCn1c2ccccc2c2cc(CN3CCC(C#N)CC3)ccc21 123772066 KVGJCHROAMFLLM-UHFFFAOYSA-N 317.436 4.550 30 20 DJED CC(C)Oc1ccc(C#N)cc1N[C@H](C)c1nc2ccccc2o1 182067448 MIVGPEYAFRYPKL-CYBMUJFWSA-N 321.380 4.660 30 20 DJED Cc1c([C@H](NCCCSCC#N)C(C)C)oc2ccccc12 183276986 NWEIEXMPRWZSIL-QGZVFWFLSA-N 316.470 4.675 30 20 DJED C[C@H](NCc1ccc(O[C@H](C)C#N)cc1)c1cc2ccccc2o1 189090449 CAKWAUYCETUBOX-CABCVRRESA-N 320.392 4.574 30 20 DJED Cc1cc([C@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)c(C)s1 237703687 GWTKBLXUABGINH-JSGCOSHPSA-N 314.454 4.507 30 20 DJED N#C[C@H](C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1nc2ccccc2o1 245949987 VIEVSSZJGKJCBQ-CAOSSQGBSA-N 322.408 4.611 30 20 DJED C=CCN(Cc1ccccc1)C(=O)C[C@@H](C)c1ccccc1C 303708364 PKGSUAQTMRSYIT-GOSISDBHSA-N 307.437 4.703 30 20 DJED C[C@@H]1CC[C@@H](CC(=O)N(Cc2ccco2)c2ccccc2C#N)C1 345473194 WHDQFJBHHCLJEK-HZPDHXFCSA-N 322.408 4.511 30 20 DJED Cc1nc(SCCCC#N)n([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 351868969 ORSPRBKLYCKJAE-QAETUUGQSA-N 317.502 4.893 30 20 DJED C=CC[C@@H](C)N[C@@H](c1ccc(Br)s1)C1CC1 381722839 MDCLCLILHOKOTE-NOZJJQNGSA-N 300.265 4.516 30 20 DJED CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1CC#N 410970177 QRFKZTUZEZUQHK-IUODEOHRSA-N 304.821 4.561 30 20 DJED C=C(C)CNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 428111250 FPCCJUFPMWRLFZ-UHFFFAOYSA-N 319.326 4.678 30 20 DJED C=CCC[C@H](NC(=O)N(C)[C@@H]1CC[C@@H](C)C1)c1ccccc1 429002882 ZOACXMPJSJGDKO-NXHRZFHOSA-N 300.446 4.524 30 20 DJED C[C@H](C(=O)Nc1ccc(C#N)cc1Cl)c1cccc(Cl)c1 430367790 UXIRPPWUGPARBI-JTQLQIEISA-N 319.191 4.607 30 20 DJED N#Cc1ccc(NC(=O)C2(Cc3ccccc3)CCC2)c(Cl)c1 430377408 PQTJJPVHFGAZHX-UHFFFAOYSA-N 324.811 4.563 30 20 DJED CC1(C)CCc2ccccc2[C@H](NCc2cc(C#N)cs2)C1 441387338 VWELTRCRSSOQHL-GOSISDBHSA-N 310.466 4.813 30 20 DJED N#C[C@H]1CC[C@@H](NCc2ccccc2-c2ccc(Cl)cc2)C1 442791865 OMZPNPDQZIWGCI-KBXCAEBGSA-N 310.828 4.789 30 20 DJED N#Cc1cc(N2CCC[C@H]2c2ccsc2)ccc1C(F)(F)F 463439387 KFGFENHKAPQSOP-HNNXBMFYSA-N 322.355 4.980 30 20 DJED Cc1ccc(SC[C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 471600721 DMBRMNWNTJMDOF-HZPDHXFCSA-N 310.466 4.698 30 20 DJED C=CCCCC(=O)Nc1cccc(-c2nccn2CCCC)c1 478622572 RRWVOEZUGSBYDZ-UHFFFAOYSA-N 311.429 4.645 30 20 DJED C=C(C)[C@H](NCCCCC(F)(F)F)c1ccc(F)c(F)c1 481610220 AEJRNQAZSVXDQL-AWEZNQCLSA-N 307.306 4.904 30 20 DJED CN(Cc1ccccc1C#N)Cc1ccccc1-c1ccccc1 507237172 VUKRDEROUCVZMV-UHFFFAOYSA-N 312.416 4.857 30 20 DJED N#Cc1ccc(CN2CC=C(c3ccccc3Cl)CC2)s1 507729830 AIRWIHXXIRVLPY-UHFFFAOYSA-N 314.841 4.562 30 20 DJED CCCCc1oc2ccccc2c1CN(C)C[C@@H](C#N)CCC#N 514849632 OQWXBLSKENUOBO-MRXNPFEDSA-N 323.440 4.651 30 20 DJED CC(C)(C)CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 518753231 JSYBHLMXMYGAGD-UHFFFAOYSA-N 323.396 4.518 30 20 DJED C[C@H](C#N)CNCc1ccc(-c2cccc(Cl)c2Cl)o1 544600559 ZGJKXOGCHZDLCS-SNVBAGLBSA-N 309.196 4.503 30 20 DJED CCSc1cccc(F)c1N[C@H](C)c1cccc(C#N)c1 600852990 CUKWYAQYRDZVKW-GFCCVEGCSA-N 300.402 4.982 30 20 DJED C=CC[C@@H](C)NCc1cn(Cc2ccccc2)c2ccccc12 604892936 NTGOPTGMAQGNLN-QGZVFWFLSA-N 304.437 4.744 30 20 DJED N#Cc1ccc(/C=C\c2nc(-c3cccc4ccccc34)no2)cc1 609475856 GXVWBWRAHGYOSB-SEYXRHQNSA-N 323.355 4.932 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccccc1OC(F)F 611481179 TVSJRNHXZQFRGF-HNNXBMFYSA-N 314.335 4.649 30 20 DJED C[C@@H]1CC[C@@H](NCc2ccc(C#N)c(Cl)c2)c2ccccc21 619754461 AFRPXGHTYZQCGD-BFUOFWGJSA-N 310.828 4.940 30 20 DJED C=CCN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(C)C 727787713 JPLUSUFKFXFGEV-STQMWFEESA-N 312.240 4.520 30 20 DJED Cc1nc(C)c(C=NNc2ccc(Cl)cc2Cl)s1 736428065 RYBNDKIHEDXRMV-UHFFFAOYSA-N 300.214 4.513 30 20 DJED O=C(/C=C/c1cccc(O)c1)c1ccc(SCC(F)F)cc1 741840956 CKBPTOADIPAEEG-RUDMXATFSA-N 320.360 4.646 30 20 DJED CC1(C)C(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)C1(C)C 747106424 SOMDSBVAUATBJB-ZDUSSCGKSA-N 324.449 4.669 30 20 DJED CCCC[C@H](CC)Cn1nc(C(C)(C)C)c(CCC#N)c1O 760551326 SYCVPOAFLVTWOF-AWEZNQCLSA-N 305.466 4.559 30 20 DJED O=C(/C=C/c1cc(F)ccc1Br)c1cccs1 761202907 ZKUQTYOIOCRLOJ-ZZXKWVIFSA-N 311.175 4.546 30 20 DJED Cc1cc(/C=C2\C(=O)c3cccc4c3[C@H]2CCC4)cnc1Cl 763289157 JWPQRPXIMBNWSZ-CIKBWMHTSA-N 309.796 4.743 30 20 DJED N#Cc1cc(/C=C/C(=O)c2ccccc2C(F)(F)F)ccc1F 770569918 XVFQDCNPRQJWPR-SOFGYWHQSA-N 319.257 4.612 30 20 DJED C=CCCC[C@H](C)NC(=O)Nc1ccc(N2CCCCC2)cc1 775974270 YKJUPPOOUKUQGN-INIZCTEOSA-N 315.461 4.543 30 20 DJED CCCCCCCCC(=O)N[C@H](C)[C@H]1CCCN(C2CCC2)C1 781198772 FPBNXUHCWOZNRI-MSOLQXFVSA-N 322.537 4.506 30 20 DJED Cn1cc(/C=C\C(=O)c2ccc(F)cc2)c(C2CCCCC2)n1 783697895 TUTBODWTIMZKQB-XFXZXTDPSA-N 312.388 4.503 30 20 DJED Clc1ccccc1NN=Cc1cscc1Br 794862934 WCESKVXZBVTMLT-UHFFFAOYSA-N 315.623 4.610 30 20 DJED Cc1ccc(N(C(=O)C[C@@H](CC#N)c2ccccc2)C(C)C)cc1 796628251 ISCPSQPVTBGSIN-LJQANCHMSA-N 320.436 4.824 30 20 DJED Cc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2F)cc1C#N 799379719 JPULINRTNFPALK-UHFFFAOYSA-N 323.154 4.565 30 20 DJED O=C(/C=C/c1c[nH]c(C(F)(F)F)c1)c1ccc(Cl)s1 806564363 AFNWBVOCNDBBAT-OWOJBTEDSA-N 305.708 4.645 30 20 DJED CC(C)(C)CCC(=NNc1ncccc1Cl)c1cscn1 807964858 ZHABPTXOVFBNRK-UHFFFAOYSA-N 322.865 4.834 30 20 DJED Cc1ccc(N(Cc2ccco2)C(=O)CCCCCC#N)cc1C 808159060 LFEBAUHQXYQWRX-UHFFFAOYSA-N 324.424 4.904 30 20 DJED CCCCCCCC[C@@H](C)CC(=O)N1CCC[C@@H]1c1ncon1 848115408 YCGATTPGHSHJNS-HZPDHXFCSA-N 321.465 4.510 30 20 DJED CC(=NNc1ccc(F)cc1Cl)c1c(C)nn(C(C)C)c1C 901320889 UANOKQRYAMIXRG-UHFFFAOYSA-N 322.815 4.709 30 20 DJED CC[C@H](/N=C\c1cc2ccccc2nc1O)c1ccc(OC)cc1 912778896 AFRHRWJBPCPELJ-PKIWBCANSA-N 320.392 4.519 30 20 DJED CCc1c(C(C)=NNc2nc(C)cc(C)n2)oc2ccc(C)cc12 916241822 IHBJCFJCKREFTQ-UHFFFAOYSA-N 322.412 4.547 30 20 DJED C[C@H](SCc1ccc(C#N)cc1)c1nccn1-c1ccccc1 1117542584 RHCALGYXDWQRKP-HNNXBMFYSA-N 319.433 4.738 30 20 DJED C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)CC1(C#N)CCCCC1 1129395464 PTMHTPRKDXILNR-JKSUJKDBSA-N 304.478 4.524 30 20 DJED CC[C@H]1CCCC[C@H]1CNc1c(Br)cccc1C#N 1163403333 JFUYACRMGSTCRE-JSGCOSHPSA-N 321.262 4.949 30 20 DJED C[C@@H](CCC#N)CNC1(c2c(Cl)cccc2Cl)CCC1 1205634657 VSBHJDFWIQPKJQ-LBPRGKRZSA-N 311.256 4.902 30 20 DJED C[C@H](Cc1ccccc1Cl)N[C@H](CCC#N)c1ccccc1 1254996300 JWIOAXGZCQVTSW-DNVCBOLYSA-N 312.844 4.906 30 20 DJED C[C@H]1C[C@H](CC(=O)OCc2cc(C#N)ccc2F)CC(C)(C)C1 1265727451 KGLBKQQWQXDEKX-DZGCQCFKSA-N 317.404 4.593 30 20 DJED Cc1ccc([C@@H](C)N(C)C(=O)CC2(C#N)CCCCC2)c(C)c1 1355616226 LIXKKYHDLIEAMP-QGZVFWFLSA-N 312.457 4.687 30 20 DJED N#Cc1ccc(CCN[C@H](CC2CCC2)c2ccccc2)cc1 1459860571 OHTUCXJBPJWTKU-OAQYLSRUSA-N 304.437 4.622 30 20 DJED C[C@H](SC1CCC(C)(C)CC1)C(=O)Nc1cccc(C#N)c1 1473017408 YLVPLHOWZXOMAR-ZDUSSCGKSA-N 316.470 4.587 30 20 DJED CC(C)(C)Oc1ccc(NC(=O)CC(C)(C)C2CC2)cc1C#N 1522383106 VPKNBHPRTHMEBP-UHFFFAOYSA-N 314.429 4.500 30 20 DJED CC[C@@H](OC(=O)c1csc(C#N)c1)c1cccc(Cl)c1F 1523120807 NJARNVYSOVGXMC-CYBMUJFWSA-N 323.776 4.720 30 20 DJED Cc1ccc(C#N)cc1C(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 1529201584 OKESGNQQKQFWSY-SJORKVTESA-N 312.457 4.592 30 20 DJED C[C@H](Sc1ccnc(C#N)c1)c1ccc(OC(F)(F)F)cc1 1559084570 ZLZULYLLHWUAAO-JTQLQIEISA-N 324.327 4.705 30 20 DJED Cc1c(Cl)cnc(N2CCC(CCC(C)C)CC2)c1C#N 1612109402 QRTLYBSERKNLOL-UHFFFAOYSA-N 305.853 4.568 30 20 DJED N#Cc1ccc(SCc2cn3ccccc3c2C#N)c(Cl)c1 1613628156 VIRLVEYXANYDAP-UHFFFAOYSA-N 323.808 4.628 30 20 DJED CC(C)Oc1ccc2ccccc2c1CN(CCC#N)CC1CC1 1615743840 IVRKMTGQUSYCEA-UHFFFAOYSA-N 322.452 4.753 30 20 DJED CC(C)c1ccc2c(c1)[C@H](Nc1ccc(Cl)c(C#N)n1)CC2 1639820277 JUNXHLAUEUFQHR-MRXNPFEDSA-N 311.816 4.829 30 20 DJED CCc1ccc([C@@H]2C[C@H](C)CCN2Cc2ccc(C#N)cc2C)o1 1641887131 HIRBNVXOIHKIRS-QRWLVFNGSA-N 322.452 4.995 30 20 DJED CC(C)CCC1CCN(Cc2ccc(C#N)cc2Cl)CC1 1644797565 UUVBUUJSYVPDHE-UHFFFAOYSA-N 304.865 4.860 30 20 DJED N#Cc1ccc(CN[C@@H]2CCCC[C@H]2Cc2ccccc2)c(F)c1 1649084106 KKUCBOZCSDKTEJ-GHTZIAJQSA-N 322.427 4.588 30 20 DJED CC(C)C[C@@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1 1650821571 IBMWCFALFNYRAJ-QGZVFWFLSA-N 322.452 4.661 30 20 DJED CCC(C)(C)c1ccc(CNc2ccc(Cl)c(C#N)n2)cc1 1651673811 UKXUVRBMMJFRFT-UHFFFAOYSA-N 313.832 4.906 30 20 DJED Cc1occc1CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1656071106 GQSBFHCXXIVTJZ-OAHLLOKOSA-N 316.404 4.978 30 20 DJED N#Cc1ccc(F)cc1CSc1nc2cc(F)ccc2s1 1656868065 WFGIMGKPTNVVMH-UHFFFAOYSA-N 318.373 4.738 30 20 DJED CC(C)[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1F 1659407036 AMVSSHRMZLKXAE-JDFRZJQESA-N 308.828 4.848 30 20 DJED CC[C@H](NC(=O)Nc1sccc1C#N)c1cccc(Cl)c1 1673279024 OMZSVFRRUWWXIT-ZDUSSCGKSA-N 319.817 4.546 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccc(Oc2ccccc2)cc1 107105544 DQYQAQXHYRPIPP-UHFFFAOYSA-N 310.397 4.909 30 20 DJED CC(C)(C)c1nc(CN[C@@H](CCC#N)c2ccccc2)cs1 130487383 UTELQFZADAYION-INIZCTEOSA-N 313.470 4.575 30 20 DJED CCN(C[C@@H](C)C#N)[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1 155293528 WWQFOPVWIMQYOA-STQMWFEESA-N 317.820 4.538 30 20 DJED N#Cc1ccc(CN[C@H](c2ccc(Cl)cc2)C2CCC2)s1 176964651 YEAKGAPIFOPMIZ-KRWDZBQOSA-N 316.857 4.904 30 20 DJED C=CCC[C@@H](NCc1ncc(C)c(OC)c1C)c1ccccc1 180042066 WMDNIHYWXKGUAZ-GOSISDBHSA-N 310.441 4.504 30 20 DJED C[C@H](C#N)Oc1ccccc1NCc1ccc(C(F)(F)F)cc1 182551943 PDXBYQWTAAPGNK-GFCCVEGCSA-N 320.314 4.608 30 20 DJED CCC(CC)CN(CC)c1ccc(C#N)c(Br)c1 228180125 CAYXUTNMIAHWSP-UHFFFAOYSA-N 309.251 4.583 30 20 DJED C[C@@H](Nc1ccc(F)cc1C#N)c1ccccc1C(F)(F)F 317375766 KNNZUGWANLNWDQ-SNVBAGLBSA-N 308.278 4.889 30 20 DJED CCCn1ccc2ccc(N=C(O)[C@@H]3CCC(=O)[C@H](C)C3)cc21 328905029 JTLXOVWNYAMLIO-UKRRQHHQSA-N 312.413 4.645 30 20 DJED CC(C)(/N=C(/O)Nc1ccc(C2CCC2)cc1)c1nccs1 330203020 BSPCSFJUJMNUHI-UHFFFAOYSA-N 315.442 4.672 30 20 DJED C=CCC1(C(=O)Nc2ccc(Sc3ccncc3)cc2)CCC1 358198399 JJDBBJCONMWUSH-UHFFFAOYSA-N 324.449 4.918 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCc1ncc(Cl)s1 358211932 PAZYYZLHMOLYGK-SNVBAGLBSA-N 323.874 4.803 30 20 DJED CCc1ccccc1NC(=O)c1sc2ccc(C#N)cc2c1C 429920787 SXQKNMPIYXQTPP-UHFFFAOYSA-N 320.417 4.896 30 20 DJED Cc1c(C(=O)Nc2ccc(C#N)cc2Cl)oc2ccccc12 430358759 QLGWZTSFHDMANU-UHFFFAOYSA-N 310.740 4.519 30 20 DJED CCN(c1ccccc1)c1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 472126186 MNRTUUIIJBUDHI-OALUTQOASA-N 319.452 4.626 30 20 DJED CCc1c(N[C@H](C)c2cccc(C#N)c2)cnn1C(CC)CC 477926649 MTPZSEQSXIKZIL-CQSZACIVSA-N 310.445 4.851 30 20 DJED C[C@@H](Nc1cnn(-c2ccc(Cl)cc2)c1)c1cccc(C#N)c1 480713064 UMJCHGWDXBUPGP-CYBMUJFWSA-N 322.799 4.570 30 20 DJED C=CCC[C@H](C(=O)N[C@@H](C)Cc1cccs1)c1ccccc1 488319088 KTDSQWOKORJEFL-YJBOKZPZSA-N 313.466 4.545 30 20 DJED CC(C)CN(C(=O)c1cc(C#N)ccc1Cl)c1ccccc1 508533618 KQGIIURXAWDEBI-UHFFFAOYSA-N 312.800 4.514 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCc2cc(Cl)ccc21 515319441 CLSMMRIMUSZJCR-VQTJNVASSA-N 322.839 4.866 30 20 DJED CCC(C)(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 520533331 LZDQRDUCYBEDDK-UHFFFAOYSA-N 308.381 4.725 30 20 DJED N#CCCCCN[C@@H](c1ccccc1F)[C@@H]1C[C@H]2CC[C@H]1C2 568302495 CRSUKGJPEIEFCT-BVYOLEPJSA-N 300.421 4.586 30 20 DJED C=C(C)COc1cccc(NC(=O)C2(c3ccccc3C)CC2)c1 589382434 DDKDJWXWQAOKSC-UHFFFAOYSA-N 321.420 4.620 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCC1CC1 589701669 JDCCFLOOHQYUKH-ZDUSSCGKSA-N 302.443 4.600 30 20 DJED C=C(C)[C@H](CC(=O)N(CCCC)[C@@H](C)c1ccc(C)o1)OCC 677301995 UJDATNBAACNBJZ-WMZOPIPTSA-N 321.461 4.649 30 20 DJED Cc1ccccc1C=NOCc1csc(C2CCCC2)n1 746353207 RTYMHMLDYJJVGP-UHFFFAOYSA-N 300.427 4.660 30 20 DJED COc1ccc2oc(C(=O)/C=C/c3ccc(C#N)s3)c(C)c2c1 748999620 YVIGEDCYNUXIHL-VOTSOKGWSA-N 323.373 4.579 30 20 DJED C/C(=C/c1ccccc1)CN(C)Cc1ccc(O[C@H](C)C#N)cc1 756120482 IXYOKFHKGDGDRJ-MTMYEVCSSA-N 320.436 4.513 30 20 DJED Cc1cc(CCCC(=O)OCCCCC(C)(C)C#N)c(C)s1 768749804 XEGJNKXJURCORA-UHFFFAOYSA-N 321.486 4.951 30 20 DJED C[C@H](c1ccccc1)N(CCC(C)(C)C#N)Cc1ccccc1O 776596538 GPIMGOMPDYNSEA-QGZVFWFLSA-N 322.452 4.895 30 20 DJED C[C@H](Cc1ccc(Cl)cc1)Nc1ccccc1O[C@H](C)C#N 780744614 LJSFJOHLPDSVSX-ZIAGYGMSSA-N 314.816 4.674 30 20 DJED C[C@H](NCC1(CC#N)CC1)c1ccccc1SC(C)(C)C 788801205 LKOFLFAKUHOUPX-AWEZNQCLSA-N 302.487 4.922 30 20 DJED Fc1c(F)c(F)c(OCc2cccc(C(F)F)c2)c(F)c1F 794424435 KZTRMZXVVOHVDE-UHFFFAOYSA-N 324.195 4.899 30 20 DJED Cc1cc(C(=O)/C=C\c2cc(Br)cs2)oc1C 799898249 XCTCWVWPCIEDAC-ARJAWSKDSA-N 311.200 4.617 30 20 DJED C[C@H]1/C(=C/c2csc(-c3ccccn3)n2)C(=O)c2ccccc21 809158271 ZQGIBZIYXHOHSK-YUSFRKCESA-N 318.401 4.589 30 20 DJED Cc1cc(C)cc(Oc2cccc(F)c2NC(=O)C#CC2CC2)c1 846455184 QRRHUMAFSPWRGF-UHFFFAOYSA-N 323.367 4.587 30 20 DJED Cc1ccc([C@@H](C)N(C)Cc2ccccc2C(C)(C)C#N)cc1 1167037312 ARGUHQRGXDQZAD-QGZVFWFLSA-N 306.453 4.989 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N(C)c1ccc2ccccc2c1 1201424404 PJRJNJCPPKUIJA-UHFFFAOYSA-N 315.376 4.688 30 20 DJED C=C(CNC(=O)Nc1ccc(OC(C)C)c(C)c1)c1ccccc1 1215341461 AIFYZYASXSZOOA-UHFFFAOYSA-N 324.424 4.617 30 20 DJED C[C@H]1CCc2sc(NC(=O)C(C)(C)C3CC3)c(C#N)c2[C@H]1C 1274492575 ORWCKFJRZWLJLR-QWRGUYRKSA-N 316.470 4.680 30 20 DJED CC(C)CCN(CCC#N)C(=O)CC(C)(C)C1CCCCC1 1293065559 BAQPJFQYRDSPGE-UHFFFAOYSA-N 306.494 4.771 30 20 DJED CC[C@H](c1ccccc1)[C@H]1CCCN1Cc1cccc(C#N)c1 1307498886 FSRFZDWLCZPOTE-NHCUHLMSSA-N 304.437 4.716 30 20 DJED CCCC[C@@H](C(=O)Nc1sc2c(c1C#N)CCCC2)C(C)C 1352478157 UXQCGEPQMNGPBF-CYBMUJFWSA-N 318.486 4.899 30 20 DJED CN(C(=O)C[C@@H]1CCCCC1(C)C)c1cc(Cl)ccc1C#N 1435414834 ZTMAEMQXNDFKKP-AWEZNQCLSA-N 318.848 4.781 30 20 DJED N#Cc1nc(N[C@H](c2ccc(F)cc2)C2CCC2)sc1Cl 1458174926 ZEMWEPDCOVJJNF-ZDUSSCGKSA-N 321.808 4.761 30 20 DJED CCC[C@H](NCc1ccc(C#N)cc1Br)C(C)(C)C 1460115738 STAHUKOUMYLVRY-HNNXBMFYSA-N 323.278 4.625 30 20 DJED Cc1ccccc1COc1cccc(Nc2ncccc2C#N)c1 1472691115 KQNZRYDSABWPJI-UHFFFAOYSA-N 315.376 4.584 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1Cl 1473278559 IVYLNKNBLBZFGW-WBVHZDCISA-N 304.865 4.906 30 20 DJED CCCCN(C(=O)c1cc(C#N)ccc1C)[C@@H]1CCC[C@H](C)C1 1527351398 MKXDZHQAEYFCLR-MAUKXSAKSA-N 312.457 4.688 30 20 DJED CC[C@H](OC(=O)c1ccsc1C#N)c1cccc(Cl)c1 1537751066 JYNOLMDIKFBAEJ-ZDUSSCGKSA-N 305.786 4.581 30 20 DJED CC[C@H](C#N)C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCCC1 1545737814 UDBFIJAHRNNTEN-CXAGYDPISA-N 318.848 4.627 30 20 DJED N#CCc1ccc(CN2CCC[C@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1559517649 VWHKMSYZVAFRCQ-TUFLPTIASA-N 308.469 4.543 30 20 DJED Cc1ccc2c(c1)CN(Cc1ccc(C#N)cc1C)C(C)(C)C2 1559860888 RQCHGYIZTSMQPI-UHFFFAOYSA-N 304.437 4.512 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C[C@@H]1CCc2ccccc21 1560690986 MKZUJPJAJGMKHY-FQEVSTJZSA-N 304.437 4.500 30 20 DJED C[C@H]1CC[C@@H](c2ccccc2)N(Cc2ccc(F)c(C#N)c2)C1 1643045334 RSPAXMHHSZNFQY-YWZLYKJASA-N 308.400 4.671 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H]2CC[C@H](C)C2)n1 1643600780 ZLAGCGIAPHGDCY-WCBMZHEXSA-N 300.349 4.561 30 20 DJED CC(C)c1cnc(SCCc2ccc(C#N)cc2)n1C1CC1 1651823785 PDMJXDWJYNYNRD-UHFFFAOYSA-N 311.454 4.548 30 20 DJED Cc1cc(CN(C)Cc2ccc3ccccc3c2)ccc1C#N 1652056418 CSZNTMPBQXDKNH-UHFFFAOYSA-N 300.405 4.652 30 20 DJED C[C@@H]1CC(Nc2c(Br)cccc2C#N)C[C@@H](C)C1 1655164265 NANMNSRKIXWKGW-QWRGUYRKSA-N 307.235 4.557 30 20 DJED CCC1(CC)CN(Cc2ccc(C#N)cc2F)c2ccccc21 1657720850 LTPSMTMZZDMKMM-UHFFFAOYSA-N 308.400 4.775 30 20 DJED C[C@H](Cc1ccc(Cl)cc1)NCc1ccc(C#N)c(Cl)c1 1657885771 CIRUDMRHPFHKQP-GFCCVEGCSA-N 319.235 4.586 30 20 DJED C=C(Br)CNCc1cccc(-c2ccc(C)cc2)c1 1661347096 QOWOHQHQYRIYNO-UHFFFAOYSA-N 316.242 4.660 30 20 DJED O=C(O)c1ccc(NN=C2CCCCCCCCCCC2)cn1 1776068505 FDYKKCYWBRNQFK-UHFFFAOYSA-N 317.433 4.852 30 20 DJED Cc1cc(C)c(C(=O)/C=C/c2ccc(/C=C\C(=O)O)cc2)cc1C 1776133169 OXWLBXSRLFJRIF-GOOGBFEESA-N 320.388 4.606 30 20 DJED C[C@@H]1CCc2c(sc(NC(=O)CCC3CCCC3)c2C#N)C1 6201395 IGOSGRYHZLXNAK-GFCCVEGCSA-N 316.470 4.653 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1cccc2cccnc12 52825803 JIJVYCQETCXZEE-UHFFFAOYSA-N 315.420 4.519 30 20 DJED O=C(/C=C/c1csc(-c2ccsc2)n1)c1cccs1 63274973 RYALJELKZVTQMA-ONEGZZNKSA-N 303.433 4.829 30 20 DJED N#Cc1c(F)cccc1N(Cc1ccccc1)Cc1ccccc1 113466086 XNGHZGGJMGPECE-UHFFFAOYSA-N 316.379 4.904 30 20 DJED CCCc1cccc(C(C)C)c1NC(=O)NCCCCC#N 189964440 RJWKZGOONUKPRQ-UHFFFAOYSA-N 301.434 4.578 30 20 DJED Cc1csc([C@@H](C#N)C(=O)c2ccc(-c3ccccc3)s2)n1 193272037 YMKIFGCJJRVQSF-ZDUSSCGKSA-N 324.430 4.670 30 20 DJED C[C@H](Nc1ccc(C(F)(F)F)cc1C#N)c1ccc(C#N)cc1 301583439 QLNPJBOOROZSIA-NSHDSACASA-N 315.298 4.622 30 20 DJED C[C@@H](/N=C(/O)C1CCCC1)C(O)=Nc1ccc(F)c(C2CC2)c1 328825188 SHTVULUXMYVCBU-LLVKDONJSA-N 318.392 4.826 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@@H](C)c1cccc(C#N)c1 336865177 UZDCCUYPLKKMJW-KBXCAEBGSA-N 308.425 4.824 30 20 DJED CC[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(C)cc1 353511206 BOCNEBSRIPLKPR-WOJBJXKFSA-N 320.436 4.650 30 20 DJED Cc1cc(O[C@@H](C)c2ncc(-c3ccccc3)o2)ccc1C#N 434751192 CIOZOUHYZMIUNM-AWEZNQCLSA-N 304.349 4.662 30 20 DJED CC[C@@H](N[C@H]1C[C@H](c2ccccc2F)C1)c1ccc(C#N)cc1 436308816 NNNLLBXMYSANHL-MBOZVWFJSA-N 308.400 4.684 30 20 DJED CCc1ccc(CCNc2cccc(OCCCC#N)c2)cc1 462247536 UYFITHRCXRFWDX-UHFFFAOYSA-N 308.425 4.586 30 20 DJED CCc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1Cl 462498533 FQQBQUJFIWKWEC-LBPRGKRZSA-N 312.800 4.516 30 20 DJED COc1ccc(C2CCN([C@H](C)c3ccc(C#N)cc3)CC2)cc1 466739459 LXOBJAWDOFNDGN-MRXNPFEDSA-N 320.436 4.507 30 20 DJED CCOc1ccccc1CN[C@H]1CCCCc2cc(C#N)ccc21 481654197 CPGXDNUSTXEDDI-FQEVSTJZSA-N 320.436 4.514 30 20 DJED C=CCN(CCc1ccco1)C(=O)Nc1ccc2occ(C)c2c1 482537720 SXUGHIZIRWDOJC-UHFFFAOYSA-N 324.380 4.597 30 20 DJED C=CCSc1ccccc1C(=O)NCc1cccc(Cl)c1 485467404 ZQRKDEQEDGHIKD-UHFFFAOYSA-N 317.841 4.548 30 20 DJED C=C(C)CN(CC)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 488612764 YBMMAAKPRDWLIV-QGZVFWFLSA-N 322.452 4.898 30 20 DJED Cc1cc(C)c(C(=O)[C@H](C)Sc2ccc(C#N)cc2)cc1C 509680693 MXSJDOWSPIKONR-HNNXBMFYSA-N 309.434 4.847 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)CC1CCCC1 510833678 BQZNXDHTMSYFLH-MRXNPFEDSA-N 312.457 4.512 30 20 DJED CC(C)(C#N)CCN1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 511095024 ZJQVTKRONZGGRS-OAHLLOKOSA-N 324.390 4.825 30 20 DJED C=CCCN(C)CCCCCc1cc(-c2cccc(F)c2)no1 524811342 FNVVPFDIILUDSW-UHFFFAOYSA-N 316.420 4.701 30 20 DJED Cc1c(Cl)cccc1-n1ccnc1SCCC(C)(C)C#N 524986678 AWZWLUWJKJEDSW-UHFFFAOYSA-N 319.861 4.866 30 20 DJED Cc1cccc(Nc2nnc(SCCC(C)(C)C#N)s2)c1 524987676 XRZLPWWLPXIFTF-UHFFFAOYSA-N 318.471 4.622 30 20 DJED Cc1ccc(CN[C@@H](C)c2cccc(C#N)c2)c(OC(C)C)c1 539495445 RFXXRHJSPJENCC-INIZCTEOSA-N 308.425 4.505 30 20 DJED C[C@@H]1C[C@H]1[C@@H](NCc1ccc(CC#N)cc1)c1ccc(Cl)cc1 543183259 LRLDXWJONRIPRG-XMCHAPAWSA-N 324.855 4.893 30 20 DJED C=CCOc1cccc(CNC2(c3ccc(F)cc3)CCC2)c1 588179205 LVPWYBODNFIMAG-UHFFFAOYSA-N 311.400 4.560 30 20 DJED C[C@@H](CC(=O)N(c1ccc(C#N)cc1)C1CCC1)c1ccccc1 598887290 WIBUQBFWZIDMDS-INIZCTEOSA-N 318.420 4.638 30 20 DJED CC(C)(CCC#N)CNC(=O)c1cc2c(ccc3ccccc32)o1 599942641 WEFXGOUIZGLHMD-UHFFFAOYSA-N 320.392 4.646 30 20 DJED N#Cc1cc(F)cc(N[C@@H]2CCc3cc(F)c(Cl)cc32)c1 600850209 HTXKHCGEQMKOPH-MRXNPFEDSA-N 304.727 4.589 30 20 DJED C[C@@H](CNCc1cccc(C#N)c1)c1c(Cl)cccc1Cl 608789127 WLGXRECKJBCTTN-LBPRGKRZSA-N 319.235 4.758 30 20 DJED CC(C)c1cccc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)c1 610317996 UYQGCRBTUSHDBG-AWEZNQCLSA-N 307.397 4.564 30 20 DJED Cc1cc(C#N)ccc1CN[C@@H](c1ccc(F)cc1)C1CCC1 614402019 WWRXISKAGMHCIS-HXUWFJFHSA-N 308.400 4.637 30 20 DJED CSc1ccc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1 618804850 MQLYYXBOQWASRV-BFUOFWGJSA-N 308.450 4.618 30 20 DJED C=CCCOCC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 620224394 WIVGQJWVCALGLT-UHFFFAOYSA-N 321.376 4.631 30 20 DJED CC(C)CCOc1ccc(NCc2ccc(C#N)cc2F)cc1 745994314 VFDHVYVFNMDJGY-UHFFFAOYSA-N 312.388 4.734 30 20 DJED CC(=NNc1ccc(Cl)c(Cl)c1)c1cnn(C(C)C)c1 746677090 PPQDDLLIBJSZDV-UHFFFAOYSA-N 311.216 4.607 30 20 DJED C=CCCCC(=O)Oc1ccc(NC(=O)c2ccc(C)cc2)cc1 748536989 HBNKXGPGGHQZBY-UHFFFAOYSA-N 323.392 4.509 30 20 DJED COc1ccc2cc(/C=C\C(=O)c3coc(C(C)C)n3)ccc2c1 752887700 KVSFJLJBKNGYKW-UITAMQMPSA-N 321.376 4.856 30 20 DJED C[C@@H](C=NNc1ccc(OC(F)F)cc1)c1ccc(F)cc1 756885130 TYQNYUKVZQKDMX-NSHDSACASA-N 308.303 4.629 30 20 DJED CC(C)n1cc(/C=C2\CCc3c(sc4ccccc34)C2=O)cn1 763101150 MJSNWVGZJHMQKX-NTEUORMPSA-N 322.433 4.891 30 20 DJED COc1ccsc1/C=C/C(=O)c1cccc(Cl)c1Cl 764431771 FTLYQDAQCNRBMG-AATRIKPKSA-N 313.205 4.960 30 20 DJED CC[C@H](C)N(Cc1ccccc1)Cc1ccc(O[C@H](C)C#N)cc1 768192664 BDLCJPCUOMXEKV-ZWKOTPCHSA-N 322.452 4.778 30 20 DJED C#CCCCCC(=O)Nc1ncc(-c2ccc(C)cc2C)s1 769639914 BJLQSJYNQHLOIU-UHFFFAOYSA-N 312.438 4.559 30 20 DJED O=C(/C=C/c1c[nH]c(C(F)(F)F)c1)c1cc2ccccc2o1 806565307 JZQZMSIPTHJXFZ-AATRIKPKSA-N 305.255 4.676 30 20 DJED C#CCC1(C(=O)Nc2cc(C)c(OC)cc2Cl)CCCCC1 809205208 KPUIMDGCIBNQSR-UHFFFAOYSA-N 319.832 4.569 30 20 DJED C#CCCCCC(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 811591267 FOMXOVLTUORMPH-QGZVFWFLSA-N 324.251 4.754 30 20 DJED C[C@H](CC(C)(C)C#N)N[C@H](C)c1ccc(Oc2cccnc2)cc1 926432025 KCCKKJCTBVXSNK-HZPDHXFCSA-N 323.440 4.853 30 20 DJED N#CCC[C@@H](NC(=O)CC(C1CCC1)C1CCC1)c1ccccc1 1127379440 WXOQBDGYGMJMNH-HXUWFJFHSA-N 324.468 4.754 30 20 DJED Cc1ccc2sc(COc3ccc(C#N)cc3Cl)nc2c1 1165354324 YIYSEEMHAHZNJA-UHFFFAOYSA-N 314.797 4.709 30 20 DJED Cc1cc([C@H](Nc2nc(C#N)c(Cl)s2)C2CC2)ccc1F 1185847492 GPBDGWPAMJOKJG-CYBMUJFWSA-N 321.808 4.679 30 20 DJED N#Cc1cc(Cl)ccc1NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 1279076914 FSCXERIZDOJANB-MGPQQGTHSA-N 316.832 4.757 30 20 DJED N#Cc1ccnc(SCCc2cccc(Cl)c2Cl)c1 1307289971 CIWNYACDCHJGFD-UHFFFAOYSA-N 309.221 4.595 30 20 DJED Cc1cc(Br)ccc1CN(CCC#N)CCC(C)C 1307512253 AZJXEQMPNRWVNL-UHFFFAOYSA-N 323.278 4.519 30 20 DJED C=CCC[C@@H](Nc1ccc(N2CCCC2=O)c(C)c1)c1ccco1 1327893004 UOEHJPXGPDBVIY-QGZVFWFLSA-N 324.424 4.834 30 20 DJED CC1(C)CCCC[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 1349743533 CGGLHXHJHHDKHW-AWEZNQCLSA-N 316.470 4.653 30 20 DJED C[C@@H]1CCC[C@H](OC(=O)c2ccccc2-c2ccccc2C#N)C1 1349839580 FEKGBIRVKMALHC-WBVHZDCISA-N 319.404 4.961 30 20 DJED CC[C@@H]1CCC[C@H]1C(=O)N(Cc1ccco1)c1ccccc1C#N 1349928962 FFUZWVLZVPRFFE-CRAIPNDOSA-N 322.408 4.511 30 20 DJED N#Cc1cc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)ccc1Cl 1351843378 NOOUMPZSYSXLGN-UHOFOFEASA-N 316.832 4.757 30 20 DJED N#Cc1cc(Cl)ccc1NC(=O)c1cc2ccccc2s1 1461549799 OITSHSYPAZSLRU-UHFFFAOYSA-N 312.781 4.679 30 20 DJED CC(C)CN(C(=O)c1cccc(SCC#N)c1)c1ccccc1 1532097503 PPDMGCDCDRMIOI-UHFFFAOYSA-N 324.449 4.605 30 20 DJED N#Cc1cccc(C(=O)NC(C2CCCCC2)C2CCCCC2)c1 1583313621 BWPMEOZQHSJEFK-UHFFFAOYSA-N 324.468 4.817 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)[C@@H](C)CC1CCCC1 1586416150 IHKVFSDNCPNNHR-AWEZNQCLSA-N 313.445 4.535 30 20 DJED Cc1cc(C#N)ccc1CN(Cc1ccc(Cl)cc1)C1CC1 1615188252 UMRRRMNBWHXMNY-UHFFFAOYSA-N 310.828 4.685 30 20 DJED CC1CCC(C)(CNc2ccc(C#N)c(Br)c2)CC1 1639874825 PIVPXTCJMBMNFD-UHFFFAOYSA-N 321.262 4.949 30 20 DJED C[C@H]1CCC[C@H](C)N1Cc1ccc(-c2ccccc2C#N)cc1 1652457343 YLWNZHBJTYZDNH-IRXDYDNUSA-N 304.437 4.988 30 20 DJED N#C[C@@H](CCc1ccccc1)Sc1ccc(C(F)(F)F)cn1 1652510389 MLJPBOOAJZFPJD-CQSZACIVSA-N 322.355 4.717 30 20 DJED Cc1cc(C)cc(C2CCN([C@H](C#N)c3ccccc3)CC2)c1 1656407536 UEJIKZXZXFXYNH-OAQYLSRUSA-N 304.437 4.748 30 20 DJED CC(C)(CC1CCCCCC1)NCc1cccc(F)c1C#N 1657794045 QZZWNPJCDQPYRQ-UHFFFAOYSA-N 302.437 4.926 30 20 DJED CCCC[C@H](CC)CNC(=O)N[C@@H](CCC#N)c1ccccc1 1674002207 NGCJFGDRXBPEPS-WMZOPIPTSA-N 315.461 4.547 30 20 DJED O=C(O)c1ccc(NN=C2CCCC3(CCCCC3)C2)cc1F 1776077443 SXPPJRQGUJZQII-UHFFFAOYSA-N 318.392 4.816 30 20 DJED O=C(/C=C/c1cccs1)c1ccc(F)c(Br)c1 11335320 BESJFDFQQRQOKW-GQCTYLIASA-N 311.175 4.546 30 20 DJED N#Cc1ccc(CSCc2ccc(Br)cc2)cc1 58238485 GLVDWMFIHFCQDF-UHFFFAOYSA-N 318.239 4.754 30 20 DJED C[C@@H](NCc1cccc(C#N)c1)c1cc(Cl)sc1Cl 151379596 ZBWRAWPMSYKONI-SECBINFHSA-N 311.237 4.777 30 20 DJED N#Cc1csc(/C=C/C(=O)c2ccccc2C(F)(F)F)c1 176836517 WKKMFTADXHHSND-AATRIKPKSA-N 307.296 4.535 30 20 DJED C[C@@H](Nc1ccc(C#N)c(Br)c1)c1ccc(F)cc1 228181341 NXSWZGBTRLOOPA-SNVBAGLBSA-N 319.177 4.633 30 20 DJED CC(C)c1ccoc1C(=O)Nc1ccccc1SCCC#N 284036762 RLARFRKWJWBLQT-UHFFFAOYSA-N 314.410 4.661 30 20 DJED N#CCCN(CCC#N)Cc1ccc(-c2ccc(Cl)cc2)cc1 342795638 GXCVJGFZUSBJPJ-UHFFFAOYSA-N 323.827 4.636 30 20 DJED N#CCC[C@H](NCCc1ccc(F)cc1Cl)c1ccccc1 356145348 XBARKQHYEQHPKF-SFHVURJKSA-N 316.807 4.656 30 20 DJED N#C[C@@H]1CC[C@@H](N[C@H](c2ccc(Cl)cc2)c2cccs2)C1 442793683 QORRUUPWSSRIKR-SRCQZFHVSA-N 316.857 4.773 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCC[C@@H]1F 455241281 FPYWMIYMTPYMNP-JKSUJKDBSA-N 304.409 4.551 30 20 DJED C=CCCC1(C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)CC1 475021398 BUFLXFTYVDQRQK-UHFFFAOYSA-N 310.397 4.643 30 20 DJED Cc1ccccc1[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)C(C)C 484567932 NIIJCSQRCPDTAL-SFHVURJKSA-N 309.369 4.584 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1csc2ccccc12 493776385 MPHPAEZFTHMPIT-UHFFFAOYSA-N 313.447 4.791 30 20 DJED C[C@H](Nc1cccnc1C#N)c1cc(F)c(Cl)cc1Cl 515445471 PLKGQYMNRRBJPA-QMMMGPOBSA-N 310.159 4.572 30 20 DJED C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)[C@H]1c1ccccc1 538724066 PWCYVYPGQSIJHE-DYESRHJHSA-N 320.436 4.562 30 20 DJED N#CCCCNCc1c(Cl)cccc1Oc1ccccc1 544180263 DQILXGLFCDKTAP-UHFFFAOYSA-N 300.789 4.526 30 20 DJED N#CCc1ccc(CSCc2ccc(C(F)(F)F)cn2)cc1 559952714 NYVLBKWWDYTULS-UHFFFAOYSA-N 322.355 4.600 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1ccc2oc(C(C)C)nc2c1 575732387 CCZBTMAMVAYRFA-CQSZACIVSA-N 313.401 4.524 30 20 DJED C=C(C)CN(CC)C(=O)NCC1CCC(c2ccccc2)CC1 595014998 MEPAJRYSSVTABC-UHFFFAOYSA-N 314.473 4.568 30 20 DJED C[C@H](CCC#N)CN(Cc1cccs1)Cc1cccs1 602433910 UIHXZWINUKROGC-CQSZACIVSA-N 304.484 4.752 30 20 DJED CCN(Cc1ccc(SC)cc1)[C@H](C)c1ccc(C#N)cc1 604271995 KPVWQZSTFRMFOG-OAHLLOKOSA-N 310.466 4.863 30 20 DJED C=C(C)COc1cccc(NC(=O)c2cnc3ccsc3c2)c1 607821468 GCTMHOGWJNPFAE-UHFFFAOYSA-N 324.405 4.504 30 20 DJED CSc1ccccc1C[C@H](C)N[C@H](C)c1cccc(C#N)c1 611966959 HZHJGLCNMDWZEM-LSDHHAIUSA-N 310.466 4.562 30 20 DJED CC[C@@H](CC#N)NC(=O)Nc1ccc(Oc2ccccc2)cc1C 613855426 YPYRWGWLTMJKMV-HNNXBMFYSA-N 323.396 4.601 30 20 DJED C=CCC(C)(C)C(=O)N[C@H](C)c1ccc(SC(C)C)cc1 645301382 WEWCMUIOKRTAGD-CQSZACIVSA-N 305.487 4.967 30 20 DJED Cc1ccccc1C(=NNc1nc2ccccc2s1)C1CC1 731922485 FMZDWKPPPUOKBS-UHFFFAOYSA-N 307.422 4.831 30 20 DJED CCCOc1ccc(C(=O)/C=C/c2nccc3ccccc23)cc1 740764553 YIUPCVJYYGXQCX-VAWYXSNFSA-N 317.388 4.920 30 20 DJED O=C1/C(=C\c2ccc(OCC(F)F)cc2)CCc2sccc21 741845144 WJRSRQYWADBXHJ-XFXZXTDPSA-N 320.360 4.605 30 20 DJED CCCCC[C@H](C)CC(=O)N(CCC#N)c1ccc(F)cc1 742651831 XFVHCMCGVFGDDS-HNNXBMFYSA-N 304.409 4.679 30 20 DJED CC(=NNc1cccc(C(F)(F)F)n1)c1coc2ccccc12 747764808 SRXOJWLDXQQRMV-UHFFFAOYSA-N 319.286 4.683 30 20 DJED C=CCOc1cccc(NC(=O)CCCSC(C)(C)C)c1 753959411 XGYQVCPZZWHKAN-UHFFFAOYSA-N 307.459 4.502 30 20 DJED FC(F)(F)C1CCC(=NNc2ccc3ccccc3n2)CC1 766007741 AVDSMNWWNZGEEF-UHFFFAOYSA-N 307.319 4.755 30 20 DJED C#CCCCCC(=O)O[C@@H](c1cccc(Cl)c1)C(F)(F)F 773799697 YNSSDDKGQRXCCH-AWEZNQCLSA-N 318.722 4.680 30 20 DJED CCN(C)c1ccc(C(=O)/C=C\c2ccc3cnccc3c2)cc1 782341967 MXGRJJVSZXIPNO-WZUFQYTHSA-N 316.404 4.587 30 20 DJED O=C(/C=C\c1ccc(-c2cccc(F)c2F)o1)c1cscn1 790224458 CAQYIZMXWVQHJV-XQRVVYSFSA-N 317.316 4.577 30 20 DJED C/C(=C\C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)C(C)(C)C 797566252 DBNXDGHIRCMPAP-JATZPVMKSA-N 304.459 4.609 30 20 DJED Cc1nn(C(C)C)cc1/C=C\C(=O)c1ccccc1C(F)(F)F 798369736 PMNCCCFAFBHMJQ-HJWRWDBZSA-N 322.330 4.687 30 20 DJED Cc1cc(C(=O)/C=C/c2csc(Br)c2)oc1C 799895791 DPYBQPVJKPTHFS-ONEGZZNKSA-N 311.200 4.617 30 20 DJED Cc1cc(C(=O)/C=C/c2csc(-c3cccs3)n2)oc1C 799896783 KHKPGAQRLLYLDF-AATRIKPKSA-N 315.419 4.978 30 20 DJED Cc1ccc(/C=C/C(=O)c2ccc(C)s2)c(-c2cnn(C)c2)c1 802704368 QGTRBEZCBSITTR-BQYQJAHWSA-N 322.433 4.662 30 20 DJED CSCc1cnc(/C=C2/C(=O)c3cccc(C)c3[C@H]2C)s1 834434129 BERJZFQQDPUSOX-NGPAHMQLSA-N 315.463 4.698 30 20 DJED C=C1CCC(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)CC1 887765970 MVHCEUXCEFNGPD-ZDUSSCGKSA-N 314.454 4.562 30 20 DJED CC(=NNc1ccc2ccccc2n1)c1ccc(Cl)s1 916286946 ZSXJTIFOMRJDEN-UHFFFAOYSA-N 301.802 4.786 30 20 DJED C=CCN(C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)C(C)C 918079689 KYNPBRTZIMLXOO-SFHVURJKSA-N 318.436 4.663 30 20 DJED N#CC1(C(=O)Nc2ccc3c(c2)oc2ccccc23)CCCCC1 920025921 RDHSYMQKBJODDY-UHFFFAOYSA-N 318.376 4.999 30 20 DJED CC/C(=C/c1nnc(-c2ccc(C#N)cc2)o1)c1ccc(C)cc1 1117242854 JGYNXIWFJPZURZ-VBKFSLOCSA-N 315.376 4.867 30 20 DJED CCN(CCc1ccccc1Cl)[C@@H](C)c1ccc(C#N)cc1 1167132106 XFFXUNYEQRVHFG-HNNXBMFYSA-N 312.844 4.837 30 20 DJED C[C@@H]1C[C@@H](c2ccccc2)N(Cc2ccc(C#N)cc2Cl)C1 1194152912 JPOTWXIBQXKYTK-KUHUBIRLSA-N 310.828 4.795 30 20 DJED CCCC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(C#N)cc1Cl 1201921649 APOWBWUPHMMRGV-ZFWWWQNUSA-N 319.836 4.692 30 20 DJED CCC[C@@H](Cc1ccccc1)N[C@@H]1CCc2cc(C#N)ccc21 1205650919 WVKGJXWJKRHBHQ-PZJWPPBQSA-N 304.437 4.547 30 20 DJED Cc1nc(N[C@@H](C)c2ccc(Cl)c(Cl)c2)ccc1C#N 1307078261 ZUTWOUKVPLUSGU-VIFPVBQESA-N 306.196 4.742 30 20 DJED CCCC[C@H](CCC)NC(=O)Nc1ccc(C#N)c(Cl)c1 1310043940 LOUGHYCKHJKWGQ-ZDUSSCGKSA-N 307.825 4.692 30 20 DJED CC(CCc1ccc(O)cc1)=NNc1ccc(C)c(Cl)c1 1317699735 XPSSNJWSGZAPAG-UHFFFAOYSA-N 302.805 4.775 30 20 DJED CC1(C)CCCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 1349743534 CGGLHXHJHHDKHW-CQSZACIVSA-N 316.470 4.653 30 20 DJED CC[C@H](Cc1cccc(C)c1)C(=O)O[C@H](C)c1cccc(C#N)c1 1355926682 UKTHJKYDXUQXSE-VQIMIIECSA-N 321.420 4.740 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1CCc2ccc(Cl)cc2[C@@H](C)C1 1460342630 XODUVTOIHCBEAE-GJZGRUSLSA-N 324.855 4.934 30 20 DJED CC(C)[C@@H]1CCC[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 1472688733 IJQGPBLVXDWAJS-DGCLKSJQSA-N 311.351 4.599 30 20 DJED CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)CC1(C#N)CCCCC1 1519854061 QMTTXYQMUPZVBZ-SJORKVTESA-N 318.505 4.819 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1ccc(C2CCCC2)cc1 1525481534 YMMNONIAALANDX-UHFFFAOYSA-N 304.393 4.777 30 20 DJED CC(C)CCN(CCC(C)C)C(=O)c1ccc(Cl)c(C#N)c1 1525882033 BVZSTXWLPLQYBX-UHFFFAOYSA-N 320.864 4.746 30 20 DJED Cc1oc(C(C)(C)C)cc1C(=O)N[C@@H](CCC#N)c1ccccc1 1534333362 VFNWLINNBFFXKU-KRWDZBQOSA-N 324.424 4.660 30 20 DJED CCC(CC)CN(CCC#N)c1ncnc2ccc(C(C)C)cc12 1612211842 SOOLSLJTFIRBJU-UHFFFAOYSA-N 324.472 4.909 30 20 DJED N#Cc1ccc(CCN(CCc2ccccc2)C2CCCC2)cc1 1641718416 SUWSKTGHBBQCQR-UHFFFAOYSA-N 318.464 4.588 30 20 DJED CCc1ccc([C@H]2C[C@@H](C)CCN2Cc2ccc(C#N)s2)o1 1641888079 ZKHQCIAEQDGJCM-SUMWQHHRSA-N 314.454 4.748 30 20 DJED Cc1cc(C#N)ccc1CSc1nc(C)c(-c2ccccc2)[nH]1 1651936468 IHDLZTTWHNAYIH-UHFFFAOYSA-N 319.433 4.858 30 20 DJED C[C@@H](C[C@H]1CCOC1)Nc1ccc(Oc2ccccc2)c(C#N)c1 1652269159 ACVCESYPSOQMIP-JKSUJKDBSA-N 322.408 4.578 30 20 DJED C[C@@H](NC1CC(C#N)(c2ccccc2)C1)c1cccc(C2CC2)c1 1664838079 OYPLAHIEWODBQP-NYYVNYEXSA-N 316.448 4.839 30 20 DJED C=CCCC1(C(=O)O)CCN([C@@H](CCC)c2ccccc2)CC1 1776168442 PHMRVKCMIMQBTK-SFHVURJKSA-N 315.457 4.661 30 20 DJED C=CCOc1ccccc1CN[C@@H](C)c1cccc(Cl)c1 34992583 IUNFYHBERCCYNB-AWEZNQCLSA-N 301.817 4.756 30 20 DJED C[C@H](N[C@H](C)c1ccc(F)cc1Cl)c1ccc(C#N)cc1 37284485 RUGOCIOZICDYIH-NWDGAFQWSA-N 302.780 4.763 30 20 DJED CCN(C(=O)c1coc2ccccc12)c1ccc(C#N)c(Cl)c1 91206646 MWTIHOHQDVMXEB-UHFFFAOYSA-N 324.767 4.625 30 20 DJED C[C@H](NCc1cccc(C#N)c1)c1ccc(-c2ccccc2)o1 151395851 LMRTUYKZQQDJMN-HNNXBMFYSA-N 302.377 4.669 30 20 DJED CC(C)c1nc(CNc2ccccc2SCCC#N)cs1 153868647 QYHYOYKJXLWLAB-UHFFFAOYSA-N 317.483 4.884 30 20 DJED COc1cc(C(=O)/C=C\c2ccccc2Cl)ccc1SC 207747166 HWPVPOVLSGHKRJ-CLFYSBASSA-N 318.825 4.967 30 20 DJED FC(F)(F)c1ccccc1C=NNc1nc2ccccc2s1 254822849 POSIHCSCLCOONB-UHFFFAOYSA-N 321.327 4.761 30 20 DJED N#CC1(CNc2cc(C(F)F)nc3ccc(Cl)cc23)CCC1 419016981 FRCSRKLRUACTTO-UHFFFAOYSA-N 321.758 4.932 30 20 DJED CCCCN(CCCC)C(=O)N[C@@H](CCC#N)c1ccccc1 440235765 DWGLDKDCMSXZRK-SFHVURJKSA-N 315.461 4.643 30 20 DJED C[C@@H](Sc1ccc2c(c1)OCCCO2)c1cccc(C#N)c1 442905708 VXYNWHUMZQKZHV-CYBMUJFWSA-N 311.406 4.573 30 20 DJED C=CCN(C(=O)C[C@@H](C)c1c[nH]c2ccccc12)c1ccccc1 447312304 FZZVSZZJCAVRDR-MRXNPFEDSA-N 318.420 4.881 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)CC(C)(C)c1ccc(C)cc1 471176444 KMPQFLBUTOZJFC-UHFFFAOYSA-N 314.473 4.594 30 20 DJED Cc1ccc2ccccc2c1CN(C#N)c1ccc(F)c(C#N)c1 479958447 BQVMUCNSVFCTQT-UHFFFAOYSA-N 315.351 4.647 30 20 DJED C=C[C@H](CC(=O)Nc1ccccc1NCCC)c1ccccc1 480555203 TYOAMMJGKPNXGB-MRXNPFEDSA-N 308.425 4.807 30 20 DJED C=CCCCCCS[C@@H](C)C(=O)Nc1cc(C)ccc1OC 485579152 GPBQKVVEMOADJE-HNNXBMFYSA-N 321.486 4.810 30 20 DJED Cc1c(C#N)cccc1C(=O)Nc1cc(C(F)F)ccc1Cl 509170633 ZWHZORCKWKYEDO-UHFFFAOYSA-N 320.726 4.710 30 20 DJED CCC[C@H](C)CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 522145457 WODYUXPPFJCVEV-RYUDHWBXSA-N 304.459 4.509 30 20 DJED Cc1ccc(C)c(SCc2nnc(-c3cccc(C#N)c3)o2)c1 525111794 ARZQUMMRTRBPQF-UHFFFAOYSA-N 321.405 4.517 30 20 DJED C=CCOc1ccccc1CN[C@H](c1ccc(C)o1)C1CCC1 541735202 RHFXZMOAYHYPLA-FQEVSTJZSA-N 311.425 4.784 30 20 DJED C=CCN(Cc1ccc(CC#N)cc1)Cc1ccc(Cl)s1 543138721 LPRDGRUPUVPBQH-UHFFFAOYSA-N 316.857 4.656 30 20 DJED N#C[C@H]1CC[C@H](N2CCC(c3ccccc3C(F)(F)F)CC2)C1 549865793 DCQGZJGCMUQVBT-ZFWWWQNUSA-N 322.374 4.577 30 20 DJED C=CCC(C)(C)c1noc([C@H]2CCC[C@H](C(F)(F)F)C2)n1 556360627 ASZWFEREBJUKAQ-QWRGUYRKSA-N 302.340 4.759 30 20 DJED CC[C@@H]1CCCC[C@H]1c1noc(C[C@H](CC#N)c2ccccc2)n1 560049930 WUSKPYRITNWXIP-BPQIPLTHSA-N 323.440 4.993 30 20 DJED C[C@@H](NC[C@H]1CCCC[C@H]1C(F)(F)F)c1ccc(C#N)cc1 563292279 IAYMASNXDRRKDB-DAXOMENPSA-N 310.363 4.578 30 20 DJED C[C@H](NC(=O)Nc1cccc(CC#N)c1)c1cccc(C2CC2)c1 581868310 UPBNMVNXVUWYFH-AWEZNQCLSA-N 319.408 4.513 30 20 DJED CC(C)c1ccc(CC2CCN([C@@H]3CC[C@H](C#N)C3)CC2)cc1 583825138 DRGICLXIAVHARB-PZJWPPBQSA-N 310.485 4.757 30 20 DJED C=CCCC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 608804105 OQVJUMSEIZZNKU-UHFFFAOYSA-N 322.383 4.505 30 20 DJED C=CCCC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C 608900628 KDGOCNCEGASNKL-OAHLLOKOSA-N 313.363 4.875 30 20 DJED CC(C)OCCSCc1ccc(-c2ccccc2C#N)cc1 609237611 IDJDVVXZXYQHJI-UHFFFAOYSA-N 311.450 4.883 30 20 DJED N#C[C@H](Sc1nc2ccccc2n1C(F)F)C1CCCCC1 609648929 FJUYGGGRRUWJHN-AWEZNQCLSA-N 321.396 4.996 30 20 DJED C[C@H](NC1CC(c2ccc(Cl)cc2)C1)c1cccc(C#N)c1 612401314 ANPSMAJCTFSCAK-LJSZUPLFSA-N 310.828 4.808 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)CCc1ccc(C)c(Cl)c1 615926523 AWHGAPSADANOIM-UHFFFAOYSA-N 320.864 4.512 30 20 DJED COc1ccccc1/C=C1/Cc2c(ccc(Cl)c2Cl)C1=O 729151068 NQRWFNUIIWNEQG-FLIBITNWSA-N 319.187 4.824 30 20 DJED C=CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1)C(C)C 729616218 QWSMILBZKFNJKJ-QGZVFWFLSA-N 320.864 4.787 30 20 DJED Cc1ccc(C2CC(=NNc3nc4ccccc4s3)C2)cc1 729817960 AAQPOMCZABYLIK-UHFFFAOYSA-N 307.422 4.950 30 20 DJED COc1cccc2cc(C(=O)/C=C/c3ccc(C)c(F)c3)oc12 731490122 RJEMRTLTIKWYKS-CMDGGOBGSA-N 310.324 4.785 30 20 DJED C=CCN(C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C)C(C)C 745876748 UZAARYRHUSAEFD-IAOVAPTHSA-N 320.864 4.643 30 20 DJED C[C@H](NCc1ccc(F)cc1C#N)c1csc2ccccc12 754732808 AYYOKQREQZVINN-LBPRGKRZSA-N 310.397 4.763 30 20 DJED C#CC[C@H](NCc1cc(Cl)cc(Cl)c1)c1ccccc1 756997575 XXAFJOWYOVYWSR-KRWDZBQOSA-N 304.220 4.848 30 20 DJED C#CCCCC(=O)N(Cc1ccccc1)[C@@H](C)c1ccccc1 757952863 HHHIEYRPYKAZTC-SFHVURJKSA-N 305.421 4.580 30 20 DJED COc1cc(F)cc(NN=C(C)c2ccc3cc(O)ccc3c2)c1 759207419 XAIYQTSEPSCVAK-UHFFFAOYSA-N 324.355 4.529 30 20 DJED O=C1/C(=C/c2nc3ccc(F)cc3s2)CCc2ccccc21 761473385 DQRWRCIDLUTHGI-FMIVXFBMSA-N 309.365 4.648 30 20 DJED Cc1ncsc1/C=C1/CCc2c(sc3ccccc23)C1=O 763100998 KJGDJOFPRWQRHB-FLIBITNWSA-N 311.431 4.879 30 20 DJED O=C1/C(=C\c2ccc(Cl)nc2)Cc2cc(Cl)cc(Cl)c21 764431814 GDTRGQWIQWNMEM-KMKOMSMNSA-N 324.594 4.864 30 20 DJED C=CCCCCCN(C)C(=O)c1cnc(Cl)c2ccccc12 766711921 WFGDEWJEXAEWJF-UHFFFAOYSA-N 316.832 4.707 30 20 DJED Clc1cc(Cl)c(NN=C2CC3(CCC3)C2)nc1Cl 772836990 LASJHVNHXJMOEC-UHFFFAOYSA-N 304.608 4.774 30 20 DJED CC(C)Oc1ccc([C@H]2CCCC2=NOCc2cccnc2)cc1 776776231 IYFRUVSRCLNPCH-LJQANCHMSA-N 324.424 4.709 30 20 DJED Cc1c(C(=O)/C=C\c2scnc2C2CC2)oc2ccccc12 782315733 YFOLHTFNCHCZRN-HJWRWDBZSA-N 309.390 4.971 30 20 DJED CCOc1c(Cl)cccc1/C=C\C(=O)c1cccc(C#N)c1 782330671 RQYLTVNSNYHIFP-KTKRTIGZSA-N 311.768 4.506 30 20 DJED C[C@]1(C=NNc2nc(Cl)c(Cl)cc2Cl)CCCS1 792926509 RHIBIBKFIQVGOJ-LLVKDONJSA-N 324.664 4.725 30 20 DJED CCOc1c(Cl)cccc1/C=C/C(=O)c1ccccc1C#N 799499624 XXOBEJZZTBBJKE-ZHACJKMWSA-N 311.768 4.506 30 20 DJED C#CCC1(C(=O)N[C@H](C)c2ccccc2SC)CCCCC1 800083067 PJUMHGBYANSZBY-OAHLLOKOSA-N 315.482 4.560 30 20 DJED C=CCC(F)(F)C(=O)N(CC)Cc1ccc(Cl)c(Cl)c1 815074378 QPSMHVBNKQWEKI-UHFFFAOYSA-N 322.182 4.553 30 20 DJED CC[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(C#N)c1 902874775 IXDCGUOLHPQJOJ-RDTXWAMCSA-N 323.396 4.577 30 20 DJED CC(=NNc1ccc(Cl)c(Cl)c1)c1scnc1C 915109880 IPBPKFMCSHDUEZ-UHFFFAOYSA-N 300.214 4.594 30 20 DJED CC(=NNc1ccc(C(=O)O)cc1)c1ccc(Cl)c(Cl)c1 916240746 NWRKCELSHAQNSI-UHFFFAOYSA-N 323.179 4.528 30 20 DJED COc1cccc(/C=C/C(=O)c2ccc(C)s2)c1OC(F)F 917043648 LTODGLNCOCKUML-BQYQJAHWSA-N 324.348 4.563 30 20 DJED CC(C)c1ccc(NC(=O)N2CCC[C@H](C#N)C2)c(C(C)C)c1 929556806 DZDKCNJQNFZNLC-OAHLLOKOSA-N 313.445 4.701 30 20 DJED CCc1cc(C)cc(CC)c1NC(=O)CC#Cc1ccccc1 1116896107 MCMSGHJZEHGQDV-UHFFFAOYSA-N 305.421 4.500 30 20 DJED Cc1ccc(-c2ccsc2C(=O)O[C@@H]2CC[C@H](C#N)C2)cc1 1122718313 WEUKRTRUBYAUSI-DZGCQCFKSA-N 311.406 4.573 30 20 DJED C[C@H](C(=O)Nc1scc(C(C)(C)C)c1C#N)c1ccccc1 1129361344 NFTIXFMRFQZAMN-LBPRGKRZSA-N 312.438 4.659 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2ccccc2CC(C)(C)C)c1 1129688428 ZDVURGNVFKESTM-UHFFFAOYSA-N 306.409 4.708 30 20 DJED CC(C)[C@H]1N(C(=O)[C@@H](CC#N)c2ccccc2)CC12CCCCC2 1141953151 LBFZJMXXBNLLDA-RBUKOAKNSA-N 324.468 4.501 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1nsc2ccccc12 1167024394 WIEASTBOCYSHLX-UHFFFAOYSA-N 321.449 4.580 30 20 DJED Cc1ccc([C@@H]2CCC[C@H]2N(C)Cc2cccc(C#N)c2F)cc1 1191216380 ZMZNSBRTXIXUKM-VQTJNVASSA-N 322.427 4.774 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C[C@H](C)c1ccc(C)cc1 1204803417 MUWFSBJIDLUIBT-SFHVURJKSA-N 306.453 4.882 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)Nc1ccc(F)c(C#N)c1 1264923729 PMDZDJWIZPHVEZ-CQSZACIVSA-N 302.393 4.632 30 20 DJED CCCc1sc(C(=O)Nc2ccc(C#N)c(F)c2)cc1CC 1274875595 KYSQQFZVFRPPBW-UHFFFAOYSA-N 316.401 4.526 30 20 DJED CC(C)[C@@H](Nc1ncc(C#N)cc1F)c1ccccc1Cl 1306965350 JZIYRFAXDCBVDS-OAHLLOKOSA-N 303.768 4.555 30 20 DJED N#Cc1cccc(Br)c1NC[C@@H]1CCC[C@@H]1C1CC1 1307141946 PCVUUALBQOLANW-UONOGXRCSA-N 319.246 4.559 30 20 DJED CCN(CCC1(C#N)CCCCC1)[C@H](C)Cc1ccsc1 1307709913 UBAJSSJGUVLPSX-MRXNPFEDSA-N 304.503 4.865 30 20 DJED CC(C)(NC(=O)CC1(C#N)CCCCC1)c1cccc(Cl)c1 1456734897 WTPXHXAEDLTVBP-UHFFFAOYSA-N 318.848 4.555 30 20 DJED CCC[C@@H]1CCCC[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N 1458163005 HDLROJJINRDTFA-YPMHNXCESA-N 311.351 4.743 30 20 DJED CC(C)CCN(C(=O)Nc1ccc(F)cc1C#N)C1CCCC1 1465799858 DGTUBOVUHUWVIA-UHFFFAOYSA-N 317.408 4.520 30 20 DJED CCCC[C@@H](CCC)NC(=O)Nc1cc(C#N)cn1C(C)(C)C 1466194913 ZAUWSTLECHTEPP-OAHLLOKOSA-N 318.465 4.595 30 20 DJED Cc1ccc(C)c2c(C)c(C(=O)O[C@@H]3CCC[C@@H](C#N)C3)oc12 1528490090 OOFFIJYBZPXYTO-HUUCEWRRSA-N 311.381 4.597 30 20 DJED Cc1ccc(C(=O)N[C@H](C)c2cc3ccccc3s2)cc1C#N 1538704664 UVFZIEBJKALEEB-CYBMUJFWSA-N 320.417 4.572 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)C[C@H]1CCCC[C@@H]1C 1565799338 YNQGIDHRORDAKQ-GOEBONIOSA-N 313.445 4.535 30 20 DJED C[C@H]1CC(Nc2c(C#N)cnc3c(Cl)cccc23)C[C@H](C)C1 1612011172 ZZTQNBGBUUYAHQ-VXGBXAGGSA-N 313.832 4.996 30 20 DJED CC(C)(C)[C@H]1CN(C(=O)c2ccccc2CC#N)c2ccccc21 1626454534 SQZRRJGQBCVRAZ-SFHVURJKSA-N 318.420 4.543 30 20 DJED Cc1cc(S[C@H](C(=O)c2ccccc2)C(C)C)ccc1C#N 1641222773 KSAGNXVUODPKMR-IBGZPJMESA-N 309.434 4.866 30 20 DJED Cc1c(Cl)cnc(NCc2cccc3ccccc23)c1C#N 1642234960 CJWXSDYHBCTSML-UHFFFAOYSA-N 307.784 4.680 30 20 DJED N#Cc1cnc(N[C@@H](Cc2ccccc2)c2cccs2)c(F)c1 1642255349 KODGDLWEHUDNGF-INIZCTEOSA-N 323.396 4.550 30 20 DJED CCC[C@@H](NCc1cc(Cl)ccc1OCC#N)C(C)(C)C 1645702305 FXURIJFGZMAMLB-MRXNPFEDSA-N 308.853 4.547 30 20 DJED Cc1cc(C(C)(C)NC[C@@H](C)CCC#N)ccc1Br 1652580632 PAEZLLMQKDNADD-LBPRGKRZSA-N 323.278 4.522 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@H]1NCc1ccc(Cl)cc1C#N 1653759299 UISRORJEEGVAOT-IAGOWNOFSA-N 304.865 4.906 30 20 DJED Cc1cc(Br)ccc1CNc1cccc(C#N)c1C 1658050181 VNUUQENUQUJOHN-UHFFFAOYSA-N 315.214 4.550 30 20 DJED N#Cc1ccc(CCN[C@@H]2CCC[C@@H]2c2ccccc2Cl)cc1 1659646560 YXYIDVANMSMZIB-UYAOXDASSA-N 324.855 4.680 30 20 DJED CCCCc1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)cc1 43189879 MWTABPOFQCKCQF-UHFFFAOYSA-N 321.424 4.565 30 20 DJED N#Cc1cccc(C(=O)/C=C/c2cnc(-c3ccccc3)s2)c1 66255927 HHBFQNDKEMOEDT-MDZDMXLPSA-N 316.385 4.578 30 20 DJED Cc1ccccc1-c1noc([C@@H](C)Sc2ccccc2C#N)n1 75077311 CAVHXBFHGRYBJY-CYBMUJFWSA-N 321.405 4.770 30 20 DJED C=C(C)CSCc1csc(-c2cccc(OC)c2OC)n1 79088061 KZAXPIBFSYEHQG-UHFFFAOYSA-N 321.467 4.637 30 20 DJED Cc1ccc2c(Cl)c(C(=O)N[C@@H](C#N)C(C)(C)C)sc2c1 85437181 NVVHIIRBKIIQSJ-LBPRGKRZSA-N 320.845 4.531 30 20 DJED CC(C)Oc1cccc(CN[C@H](CCC#N)c2ccccc2)c1 130383996 YOYQVUQKFAODGB-HXUWFJFHSA-N 308.425 4.608 30 20 DJED C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc(Cl)nc1 179822492 HGBZPTARPMKCPN-CYBMUJFWSA-N 315.804 4.591 30 20 DJED COc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1OC(C)C 183977394 CSOCGRZURWSRIQ-AWEZNQCLSA-N 310.397 4.527 30 20 DJED CC[C@H](CC#N)NC(=O)Nc1ccc(C(C)C)cc1C(C)C 184558740 DUPFAOKUGVFRAE-OAHLLOKOSA-N 301.434 4.747 30 20 DJED C[C@@H](N[C@H](C)c1ccccc1Cl)c1ccc(OCC#N)cc1 192936056 RBCLSWACFCNCQS-ZIAGYGMSSA-N 314.816 4.654 30 20 DJED COc1cccc2cc(C(=O)/C=C\c3ccc(F)cc3F)oc12 206086057 KBUPSOKHGDHEFG-VURMDHGXSA-N 314.287 4.616 30 20 DJED CC[C@@H](Nc1ccc([C@H]2CCOC2)cc1)c1ccc(C#N)cc1 294931125 HKGVBKALCKDKPF-AZUAARDMSA-N 306.409 4.625 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1ccc(SC)cc1 303452110 KWFMIEQCMKBFQL-UHFFFAOYSA-N 303.471 4.617 30 20 DJED N#Cc1ccc(OCc2cc(Cl)ccc2Br)cc1 311147856 VEOUFCSXKUWYSW-UHFFFAOYSA-N 322.589 4.553 30 20 DJED N#CCc1cccc(NCc2ccc(Cl)c3cccnc23)c1 313433908 DCRDFNJSQHPBSS-UHFFFAOYSA-N 307.784 4.566 30 20 DJED CCC(C)(C)C1CCC2(CC1)C[C@@H]2/C(O)=N/[C@@H]1CCCN=C1O 329057013 IKQKSHFRNIBJGU-YYHKSVKZSA-N 320.477 4.695 30 20 DJED Cc1csc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1 410930362 NPEQQKOVRGWFNH-UHFFFAOYSA-N 304.440 4.540 30 20 DJED CC(C)c1ccc(NC(=O)NCC2(C#N)CCC2)c(C(C)C)c1 416752795 DUNDSIYYIDKURL-UHFFFAOYSA-N 313.445 4.749 30 20 DJED N#C[C@H]1CC[C@@H](N[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 424327920 NHSWYEIGSTUNIN-NKKGCODLSA-N 322.374 4.623 30 20 DJED Cc1ccc(-c2ncc(CNc3ccc(F)c(C#N)c3)s2)cc1 432418346 RHLZJSPGDASGMD-UHFFFAOYSA-N 323.396 4.741 30 20 DJED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc2cc(Cl)ccc2o1 436308932 RDVDYCPOUHVQAP-LXIYXOSZSA-N 319.832 4.718 30 20 DJED N#Cc1ccc(CNc2ccc3ccoc3c2)c(OC(F)F)c1 442847849 DNXRNMZUPRPMCZ-UHFFFAOYSA-N 314.291 4.518 30 20 DJED C=C[C@@H]1CCCCN1C(=O)c1ccc([C@H](C)C(F)(F)F)cc1 456032334 TYUDUZUJYFDJEK-SWLSCSKDSA-N 311.347 4.533 30 20 DJED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC[C@@H]1c1ccccc1 460767637 CLYGVKNFVXBIRA-SJLPKXTDSA-N 324.472 4.709 30 20 DJED CCSCc1cccc(NC(=O)[C@H](C)c2cccc(C#N)c2)c1 462132790 HHWUEVLMWNFQAW-CQSZACIVSA-N 324.449 4.554 30 20 DJED C=CCC1(C(=O)NC2CC(c3ccc(F)c(Cl)c3)C2)CCC1 467865346 FFQBLLAEWSQDOH-UHFFFAOYSA-N 321.823 4.588 30 20 DJED N#CC[C@H](CC(=O)Nc1cccc2c1CCCC2)c1ccccc1 474406793 AMLWXERDHOZPPI-GOSISDBHSA-N 318.420 4.591 30 20 DJED C=CCC[C@@H](NC(=O)N(CC)CC1CCC1)c1ccccc1 474543211 UAJFJPYQWNUYMP-GOSISDBHSA-N 300.446 4.526 30 20 DJED CC(C)[C@H](CC(F)(F)F)N[C@@H]1CCCCc2cc(C#N)ccc21 481995468 VILOBIDRUFHPRH-SJORKVTESA-N 324.390 4.892 30 20 DJED C=CCC(C)(C)C(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 498325992 ZUOZVXUKCNJHHX-OAHLLOKOSA-N 303.421 4.524 30 20 DJED C=C1CCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)CC1 518941401 VSPGGMUHPBYRTG-UHFFFAOYSA-N 311.812 4.799 30 20 DJED CCN(C(=O)C[C@@H](C)CC(C)C)[C@H](C)c1ccc(C#N)cc1 524244405 YOHPHGILYHUHSS-JKSUJKDBSA-N 300.446 4.540 30 20 DJED N#C[C@H](Sc1n[nH]c(/C=C/c2ccccc2)n1)C1CCCCC1 524535950 CEVYMMRHDCJVRB-PCUGXKRQSA-N 324.453 4.540 30 20 DJED C=CCCNc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 524843848 IMGFPBRAGDQHDW-OKILXGFUSA-N 320.864 4.731 30 20 DJED C=CC1CCN(C(=O)c2sc(C3CCCCC3)nc2C)CC1 540389829 ANIVNUXPESNFFJ-UHFFFAOYSA-N 318.486 4.537 30 20 DJED COc1ccc([C@@H](CCC#N)NC[C@@H](C)c2cccc(C)c2)cc1 546308606 NKKRVHWSUXXFDS-DYESRHJHSA-N 322.452 4.742 30 20 DJED Cc1c(C#N)cccc1NC(=O)N1CCCC[C@H]1c1ccccc1 581640695 GLWMEVXDBWGFRG-IBGZPJMESA-N 319.408 4.626 30 20 DJED C=CCOc1ccc(CN[C@H](C)c2ccc3ccccc3n2)cc1 584297413 IVTPTEAPJPFBFC-MRXNPFEDSA-N 318.420 4.650 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccccc1OCCC 642429140 VVFPMHPTLCFURP-UHFFFAOYSA-N 324.424 4.696 30 20 DJED CCCCCC[C@@H](C)CC(=O)N[C@H](C)c1ccc(C#N)cc1 727663980 MDGMIXVJEIUKSA-HZPDHXFCSA-N 300.446 4.732 30 20 DJED C=C(C)CN(CC)C(=O)N[C@@H](C)c1csc2ccccc12 730066805 PICMYXQKHJAGHF-ZDUSSCGKSA-N 302.443 4.570 30 20 DJED CCc1ccc(/C=C/C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 731155345 DVAYDDIIVJBXOW-SOFGYWHQSA-N 321.785 4.768 30 20 DJED Fc1ccc(NN=Cc2ccc(-c3ccccc3Cl)o2)nc1 731319204 SXIWKZOGPZKTHY-UHFFFAOYSA-N 315.735 4.580 30 20 DJED O=C(/C=C\c1cnc2ccc(Cl)cn12)c1ccc(Cl)cc1 737444878 UYFZBWZNFITQQX-SREVYHEPSA-N 317.175 4.537 30 20 DJED C=CCCCCCN(C)[C@@H](C)c1nnc(-c2cccc(C)c2)o1 739932108 WUYICWGHMSZQNF-INIZCTEOSA-N 313.445 4.784 30 20 DJED O=C(/C=C/c1cccc(F)c1F)c1cccc(-c2ccncc2)c1 741472843 LCAGQDYWNZEITN-BQYQJAHWSA-N 321.326 4.923 30 20 DJED CCCCCCCCC(=O)N[C@H](c1nc(C)cs1)C1CC1 741967573 ZNHTXRDBSNEEQX-INIZCTEOSA-N 308.491 4.769 30 20 DJED CCCCCC[C@@](C)(CC)C(=O)NCc1cccc(C#N)c1 742524282 JTWLFFHAAOHBHM-LJQANCHMSA-N 300.446 4.561 30 20 DJED CC(C)[C@H](C#N)OC(=O)c1cc(-c2ccccc2)ccc1Cl 751156897 ABBCBPOFUJOHMB-KRWDZBQOSA-N 313.784 4.712 30 20 DJED C#CC[C@@H](N[C@H](C)c1cc(C)c(OC)cc1C)c1ccccc1 753691114 UVSPAIGCZLPVSU-YLJYHZDGSA-N 307.437 4.727 30 20 DJED C#CC[C@H](NC(=O)N(CC1CC1)C1CCCCC1)c1ccccc1 757773954 SOLQAAPOJJGMPB-FQEVSTJZSA-N 324.468 4.505 30 20 DJED C#CCCCCC(=O)N(CC)Cc1ccc(Cl)c(Cl)c1 773271905 OQIAYZOWBSNIOT-UHFFFAOYSA-N 312.240 4.536 30 20 DJED Cc1nn(C)c2sc(C(=O)/C=C\c3coc4ccccc34)cc12 806578911 OTKLDYKWISTZJP-FPLPWBNLSA-N 322.389 4.586 30 20 DJED COc1cccc(O)c1C=NN(c1ccccc1)c1ccccc1 812486112 DNRHLLVEWUFBSZ-UHFFFAOYSA-N 318.376 4.573 30 20 DJED CC(C)[C@H](Nc1cccc(OCCCC#N)c1)c1ccccn1 866317274 WUUHPUUBWFLSME-IBGZPJMESA-N 309.413 4.573 30 20 DJED O=C(/C=C/c1ccc(-c2ccccc2F)s1)c1cccnc1 912773461 UBMJRTMTDKXWFV-VQHVLOKHSA-N 309.365 4.845 30 20 DJED CC(=NNc1cccc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 916268880 CIKKRUPCMPGYEE-UHFFFAOYSA-N 313.401 4.599 30 20 DJED CCCCCCCSc1nncn1[C@@H](C)c1ccccc1 917255611 ALWSUQGPXMWGIS-HNNXBMFYSA-N 303.475 4.950 30 20 DJED CC(C)c1ccc([C@@H](C)CC(=O)Nc2cccc(C#N)c2)cc1 1124269046 XTQNAJQEQLSKGT-HNNXBMFYSA-N 306.409 4.814 30 20 DJED CC(C)c1ccc(CCc2nnc(-c3cccc(C#N)c3)o2)cc1 1322584918 GOVXGTXBLWXRPF-UHFFFAOYSA-N 317.392 4.517 30 20 DJED N#Cc1cc(C(=O)O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)ccc1Cl 1350148502 AZOTYNMXHZDZLK-WOSRLPQWSA-N 317.816 4.727 30 20 DJED N#Cc1cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)ccc1Cl 1352797582 KKAXKGNTXUMZMD-MELADBBJSA-N 316.832 4.757 30 20 DJED CCN(c1cccc(C#N)n1)[C@@H](C)c1cccc(C(F)(F)F)c1 1458183167 YAZFCKUOTPZGFO-LBPRGKRZSA-N 319.330 4.560 30 20 DJED C=C(Br)CN[C@@H](c1ccccc1Cl)C(C)C 1459860079 KGVBWCKFEGBBHU-CYBMUJFWSA-N 302.643 4.535 30 20 DJED CCCCN(C(=O)c1ccc(C#N)cc1F)[C@@H]1CCC[C@H](C)C1 1527350535 CWWUXPQDHJUCOP-GOEBONIOSA-N 316.420 4.518 30 20 DJED C=C(CNC(=O)N1CCC(C)(C)CC(C)(C)C1)c1ccccc1 1564881899 FYUHXSQJOOQQGT-UHFFFAOYSA-N 314.473 4.558 30 20 DJED CC[C@H](CC(=O)Nc1ccc(C#N)c(F)c1)c1ccc(C)cc1 1584264235 LDMHLWQDQSQQMR-CQSZACIVSA-N 310.372 4.528 30 20 DJED CC1(C)CCCN(C(=O)Nc2cccc(C#N)c2)c2ccccc21 1622820620 XPZVOQRQLIWWLN-UHFFFAOYSA-N 319.408 4.668 30 20 DJED COc1cc(C#N)ccc1CN(c1ccccc1)C1CCCC1 1644815720 RYFHRJRGIXKGSG-UHFFFAOYSA-N 306.409 4.516 30 20 DJED CC1(C)CCC[C@@H](Nc2nccc(Oc3cccc(C#N)c3)n2)C1 1650977353 MLSSOPPEZKFSAS-OAHLLOKOSA-N 322.412 4.521 30 20 DJED CC[C@H](c1ccccc1)[C@@H]1CCCN1c1cccc(F)c1C#N 1651600658 ZSLHZDUWQTZCQL-APWZRJJASA-N 308.400 4.860 30 20 DJED N#Cc1c(F)cccc1CN1CC2(CCCC2)[C@@H]1c1ccccc1 1658276855 BFTKSPQWVXBJTG-FQEVSTJZSA-N 320.411 4.815 30 20 DJED CCCCC1CCC(NC(=O)Nc2cc(C)cc(C#N)c2)CC1 1678413466 VEAOLDBSLNEYRX-UHFFFAOYSA-N 313.445 4.737 30 20 DJED Cc1ccccc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 41535747 SYKFQFRBYDBWKC-INIZCTEOSA-N 318.401 4.609 30 20 DJED C=CCC[C@H](C(=O)Nc1ccc(C)c(O)c1C)c1ccccc1 186507904 GMCHOVDTHAPMBV-KRWDZBQOSA-N 309.409 4.698 30 20 DJED C=CCn1c(S[C@@H](C)c2ccccc2)nnc1-c1ccccc1 255927229 KMWVDIMJSFTFMQ-HNNXBMFYSA-N 321.449 4.984 30 20 DJED CC[C@H](N[C@@H](C)c1cccc(F)c1F)c1ccc(C#N)cc1 278776530 POBKBVIJPSRMIA-SJCJKPOMSA-N 300.352 4.638 30 20 DJED N#CCCCCN[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 284325588 MAZUTWWSBFDRCW-CVEARBPZSA-N 310.363 4.625 30 20 DJED CCn1c(S[C@H](C)c2ccc(C#N)cc2)nc2ccccc21 303722058 RXOAJQMFJZDGLK-CYBMUJFWSA-N 307.422 4.781 30 20 DJED CC[C@@H]1CCCC[C@@H]1/C(O)=N/C1(c2noc(C)n2)CCCCC1 330003981 ATCDHJBEFPHYGJ-CABCVRRESA-N 319.449 4.710 30 20 DJED C=CCC[C@H](N[C@@H]1CCOc2c(F)cccc21)c1ccco1 375897652 KCUFVAGSSGZJCB-CVEARBPZSA-N 301.361 4.539 30 20 DJED CC[C@H](CC#N)N[C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 442856609 RDACUCCUJKPGNV-BMFZPTHFSA-N 310.363 4.623 30 20 DJED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H]1c1ccccc1 460767636 CLYGVKNFVXBIRA-FUHWJXTLSA-N 324.472 4.709 30 20 DJED COc1c(C)cnc(CSc2ccc(C#N)cc2Cl)c1C 465387804 KNPXZTLMIDDFPN-UHFFFAOYSA-N 318.829 4.524 30 20 DJED Cc1ccc(-n2cc(N[C@@H](C)c3cccc(C#N)c3)cn2)c(C)c1 466754629 MVBHLKLDCJAJFE-INIZCTEOSA-N 316.408 4.534 30 20 DJED Cc1ccc(-n2cc(N[C@@H](C)c3ccc(C#N)cc3)cn2)c(C)c1 466756330 BNMREWOABGCTNV-INIZCTEOSA-N 316.408 4.534 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)C1C(C)(C)C1(C)C 469177787 GEWUAYLFJCFBFR-LBPRGKRZSA-N 316.470 4.559 30 20 DJED C=CCCCC(=O)N(CC)[C@H](C)c1cccc(C(F)(F)F)c1 479553435 KOXFWBPFBYHZDU-CYBMUJFWSA-N 313.363 4.971 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N(CC#N)c1ccccc1 489918508 OADPGHPPIUKEEP-IRXDYDNUSA-N 318.420 4.533 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Cc1ccc2ccccc2c1 497796966 NMRONEHAQOYBKL-UHFFFAOYSA-N 315.416 4.597 30 20 DJED CC(C)c1cccc(N(C)C(=O)c2cc(C#N)ccc2Cl)c1 508453374 FWROJVIGXDQMFB-UHFFFAOYSA-N 312.800 4.612 30 20 DJED CC[C@](C)(C#N)C(=O)Nc1ccc(OCC2CCCCC2)cc1 509511286 VTSJTUDPUFRIQG-LJQANCHMSA-N 314.429 4.524 30 20 DJED CCN(Cc1ccnc2ccccc12)[C@H](C)c1ccc(C#N)cc1 535081505 ZZKWUODTLGNSNX-MRXNPFEDSA-N 315.420 4.690 30 20 DJED C[C@H](NCc1cccc2ccccc12)c1ccc(C#N)c(F)c1 537406619 GPPQXNCDGROTKE-AWEZNQCLSA-N 304.368 4.701 30 20 DJED C[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)Sc1ccccc1 537408163 SNVGTWLXRHTLQX-ZIAGYGMSSA-N 314.429 4.529 30 20 DJED C=CCCOCCCCC(=O)Nc1ccccc1C(C)(C)C 539517156 KDEUUYJIRAZRQS-UHFFFAOYSA-N 303.446 4.686 30 20 DJED C=C[C@@H](CC(=O)NC[C@H]1CCCCC(F)(F)C1)c1ccccc1 552653815 CZTFMDPERLXNNI-HOTGVXAUSA-N 321.411 4.678 30 20 DJED Cc1c(Cl)cnc(N2CC(C)(C)[C@H]2c2cccs2)c1C#N 568925681 IOZNEKHKLQDTFZ-CQSZACIVSA-N 317.845 4.564 30 20 DJED N#Cc1cc(Cl)ccc1CSCCCC1CCOCC1 573058035 PGBBZCVQQRAKIK-UHFFFAOYSA-N 309.862 4.652 30 20 DJED N#CCCCCCC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 590894688 WIQWKSCFNBFJOE-IBGZPJMESA-N 310.441 4.604 30 20 DJED CC[C@@H](CN[C@H]1CCCc2cc(C#N)ccc21)CC(F)(F)F 591248803 ZOCQKDIRUJIXFP-WBMJQRKESA-N 310.363 4.504 30 20 DJED CCC[C@H](C)CC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604528467 VJJNNEUDWIWKQR-AWEZNQCLSA-N 323.396 4.510 30 20 DJED C=CCN(Cc1ccccc1)Cc1csc(-c2ccc(C)o2)n1 642330056 CLQGKAQKOGQIJX-UHFFFAOYSA-N 324.449 4.900 30 20 DJED C=C(C)COc1cccc(NCc2nccc3ccccc23)c1 676322712 MYJOXTAWAGBJER-UHFFFAOYSA-N 304.393 4.802 30 20 DJED Cc1ccc([C@@H](C)NCc2cccc(OCCCC#N)c2)s1 726796833 JAORRQKQNOEGEH-OAHLLOKOSA-N 314.454 4.590 30 20 DJED CCCC(=NNc1oc(C(C)C)nc1C#N)C1CCCCC1 727779046 WWIWPWYLLAFFMJ-UHFFFAOYSA-N 302.422 4.818 30 20 DJED Oc1ccc2ccccc2c1/C=N/C[C@@H]1CCOc2ccccc21 731156034 YUGLOPLVZOIPCJ-SITPEIFSSA-N 317.388 4.531 30 20 DJED O=C(/C=C\c1ccc(OCC(F)F)cc1)c1ccc(F)cc1F 741851902 HNNIKSZRJGKFCM-BAQGIRSFSA-N 324.273 4.505 30 20 DJED CCCCCCCCCN(C)C(=O)c1cc(C(C)(C)C)on1 741908766 BHBDAYGVOPVVKT-UHFFFAOYSA-N 308.466 4.795 30 20 DJED COc1cc(C(C)=NNc2ccccc2)ccc1SC(F)F 746484100 DBEDCFDKZSXYNG-UHFFFAOYSA-N 322.380 4.846 30 20 DJED Cc1cc(/C=C\C(=O)c2ccsc2)cc(C)c1OC(F)F 749101144 BAGWZZDFZPDLDO-ARJAWSKDSA-N 308.349 4.862 30 20 DJED N#Cc1c(F)cccc1N[C@H]1CC2(CCC2)Oc2ccccc21 757785714 FDFSMZWRUHJMGK-KRWDZBQOSA-N 308.356 4.556 30 20 DJED O=C1/C(=C\c2ccc(Cl)nc2Cl)Cc2cc(Cl)ccc21 761480764 SXYGNXXDWQYQLS-YHYXMXQVSA-N 324.594 4.864 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2nc(-c3ccccc3)cs2)s1 762437002 AAFVDSOWMWJEGR-CLFYSBASSA-N 322.414 4.639 30 20 DJED O=C(/C=C\c1ccc(F)cc1Br)c1ccccc1F 767718966 ZKFXVCHCRXMFGM-VURMDHGXSA-N 323.136 4.623 30 20 DJED COc1ccc(CN[C@H]2C[C@@H](C(C)C)c3ccccc32)cc1C#N 774269920 MDBMMHXHUWIFOS-PMACEKPBSA-N 320.436 4.541 30 20 DJED Cc1cccc([C@H](NCc2ccc(OCC#N)cc2)C(C)(C)C)c1 775523589 KWWXVVCLAYUXIB-FQEVSTJZSA-N 322.452 4.774 30 20 DJED C=CC[C@H](C(=O)OCCCCC(F)(F)F)c1ccccc1 778428731 UGVAXQASSIMUSV-AWEZNQCLSA-N 300.320 4.622 30 20 DJED C#CCCCCCC(=O)N(CC(F)F)c1cccc(Cl)c1 779977314 LNGIVPIGUOOVMK-UHFFFAOYSA-N 313.775 4.522 30 20 DJED CCCCCCCCC(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C 780279163 YKNDUIDGIVTMNM-KGLIPLIRSA-N 307.400 4.926 30 20 DJED FCC[C@H]1CCCC1=NNc1nc(-c2ccccc2)cs1 794887472 IOYGXMOPWBLMRN-CYBMUJFWSA-N 303.406 4.738 30 20 DJED Cc1ccc([C@H](C)OC(=O)C[C@H](CC#N)c2ccccc2)cc1 796786545 SHOACECVZKBFPY-LPHOPBHVSA-N 307.393 4.687 30 20 DJED C=CCOc1ccc(CN[C@@H](CC)c2ccc(N(C)C)cc2)cc1 797006618 KEYBPHJFHZLAQA-NRFANRHFSA-N 324.468 4.558 30 20 DJED Cc1oc(C#N)cc1C(=O)N[C@@H](c1ccccc1)C1CCCCC1 797828467 DUJTYLKTEWVGGD-IBGZPJMESA-N 322.408 4.511 30 20 DJED Cc1ccc(/C=C2/Cc3nc(Cl)ccc3C2=O)cc1Cl 806579274 BFXHCXXMQTZDKJ-WDZFZDKYSA-N 304.176 4.519 30 20 DJED CCCCc1ccc(NC(=S)NCC(C)(C)CCC#N)cc1 806597806 MYJQRFPHKKQCAP-UHFFFAOYSA-N 317.502 4.646 30 20 DJED CCC[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 813060529 CHJMQNYCGNIMMN-JLLWLGSASA-N 318.829 4.562 30 20 DJED COCc1ccccc1/C=C(C)/C=C/C(=O)c1ccc(C#N)cc1 814187026 XRSINSYHRIMKJK-WTHIONNESA-N 317.388 4.547 30 20 DJED CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2csc(C)c2)c1 834650660 OWLMCSFGSVPSAR-YOEHRIQHSA-N 314.454 4.588 30 20 DJED Cc1nc(-c2ccccc2)[nH]c1C(=O)/C=C\c1ccc(F)c(F)c1 917146237 WMXQQJGUSHFDQW-NTMALXAHSA-N 324.330 4.559 30 20 DJED C[C@@H](CCCc1ccccc1)C(=O)O[C@H](C)c1cccc(C#N)c1 1127022083 YGZFHVRYIXMSDX-DLBZAZTESA-N 321.420 4.821 30 20 DJED CCC[C@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)C)C2 1129398868 WFKWUUFLXBJLDC-STQMWFEESA-N 318.486 4.755 30 20 DJED CC(C)(C)c1ccc(CCNc2ccc(Cl)c(C#N)n2)cc1 1162131928 BREQEGQVJMVAJW-UHFFFAOYSA-N 313.832 4.559 30 20 DJED C[C@@H](Cc1cccc(C(F)(F)F)c1)Nc1cccc(C#N)c1 1180487995 AWSOZZFLUPJFDD-LBPRGKRZSA-N 304.315 4.620 30 20 DJED CCCN(Cc1ccccc1)c1nc(C(C)(C)C)ccc1C#N 1306998265 SLCVXYGHPOJWFY-UHFFFAOYSA-N 307.441 4.667 30 20 DJED N#Cc1ccc2c(c1)CCCN2Cc1ccccc1C(F)(F)F 1307802807 LVPBWXOSNPENJR-UHFFFAOYSA-N 316.326 4.530 30 20 DJED C[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[C@@H](C)C1 1310043333 PLRFVMOTQVOWHR-FRRDWIJNSA-N 319.836 4.548 30 20 DJED CC[C@@H](c1ccccc1)c1nnc(-c2ccc(Cl)c(C#N)c2)o1 1322610975 NNFXQFUNHSRGHF-HNNXBMFYSA-N 323.783 4.804 30 20 DJED C[C@H]1CCC[C@H](C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1460571066 QIPQJRZBCIDABG-RYUDHWBXSA-N 304.459 4.682 30 20 DJED CC[C@@H](C)CN(CC)C(=O)Nc1scc(C(C)(C)C)c1C#N 1466646432 CLOFHMVBGMTTHX-GFCCVEGCSA-N 321.490 4.817 30 20 DJED Cc1ccc(CN(CC(C)C)c2cc(C)c(C#N)cn2)c(C)c1 1642840941 KDILKGSYSWDPEV-UHFFFAOYSA-N 307.441 4.541 30 20 DJED CCCC1CCC(CNc2cc(C#N)ccc2OCC)CC1 1651183881 KCEJNRKBTSNQMW-UHFFFAOYSA-N 300.446 4.975 30 20 DJED C[C@@H]1[C@@H](c2ccccc2)CCN1c1nc(C(C)(C)C)ccc1C#N 1651595892 PPUADWNXGWUYCO-QAPCUYQASA-N 319.452 4.633 30 20 DJED N#CC1(CCN2CC3(CCC3)c3c(F)cccc32)CCCCC1 1652700075 LTNCVISCIBCNAU-UHFFFAOYSA-N 312.432 4.932 30 20 DJED CC(C)CCN(CCC#N)Cc1ccsc1C(F)(F)F 1658348566 ZPKBVEGPAAEYTR-UHFFFAOYSA-N 304.381 4.529 30 20 DJED C[C@H](CC(C)(C)C#N)NCC1(c2cccc(Cl)c2)CCC1 1658741432 FLVUAPCWJFKBCR-CQSZACIVSA-N 304.865 4.680 30 20 DJED CC[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 1672794984 VGSKTXWCBBKWFB-MRXNPFEDSA-N 319.836 4.692 30 20 DJED Cc1cc(C(=O)/C=C/c2cc(C(=O)O)c(C)cc2C)c(C)s1 1776133080 NDAJECVOSZKJNX-AATRIKPKSA-N 314.406 4.576 30 20 DJED Cc1cc(C)cc(Oc2ccc(NC(=O)C(C)(C)C#N)cc2)c1 55941245 TWQYCFBTBVRILF-UHFFFAOYSA-N 308.381 4.584 30 20 DJED CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OC 57438041 WOBADDNVJIVODC-VQHVLOKHSA-N 316.784 4.643 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCc1cnc(Cl)s1 89660388 WADHJKQOGNFTDC-JTQLQIEISA-N 323.874 4.803 30 20 DJED CC[C@@H](S[C@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 156404968 REIBIRKXLDXAQL-RDTXWAMCSA-N 324.449 4.770 30 20 DJED C[C@H](NCc1cc(C#N)cs1)c1cccc(Cl)c1Cl 177703348 BQAUPHRMFUDCBT-VIFPVBQESA-N 311.237 4.777 30 20 DJED C=CCN(CC=C)C(=O)Nc1c(CCC)cccc1C(C)C 189966494 DSPTULABQCCLFT-UHFFFAOYSA-N 300.446 4.968 30 20 DJED Cc1c([C@H](C)NCc2ccc(C#N)c(F)c2)oc2ccccc12 191260403 RRBNTHZVOCOBTK-ZDUSSCGKSA-N 308.356 4.603 30 20 DJED OC1=NCc2c(N=C(O)[C@@H]3CCC[C@H]4CCCC[C@H]43)cccc21 329299110 URNVMAUYOQSQGG-MGPQQGTHSA-N 312.413 4.699 30 20 DJED C[C@]1(C(O)=Nc2ncc(C3CCCCC3)s2)CCCOC1 329463100 QJTGMMWDLZOGSM-INIZCTEOSA-N 308.447 4.596 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)c2ccc(C(F)F)cc2)n1 353901174 ZQEMAQPXEHDOHF-GFCCVEGCSA-N 320.364 4.694 30 20 DJED Cc1nc(-c2ccccc2NCc2ccc(C#N)cc2F)cs1 359618595 GXYOIHBFQVCTDS-UHFFFAOYSA-N 323.396 4.741 30 20 DJED COc1cc(CN(C)[C@@H](C)c2cc3ccccc3o2)ccc1C#N 442805078 XQVCUMINYHGDTF-AWEZNQCLSA-N 320.392 4.506 30 20 DJED N#Cc1nc(Oc2ccc(F)cc2Cl)ccc1C(F)(F)F 443404992 HUGKVXBABAVGEC-UHFFFAOYSA-N 316.641 4.557 30 20 DJED C=CCCCC[C@@H](C)Nc1cccc(CS(=O)(=O)C(C)C)c1 449052672 FIYQHBVCEXUOES-MRXNPFEDSA-N 323.502 4.557 30 20 DJED C[C@@H](NCCc1cccc(C#N)c1)[C@H](C)c1ccc(Cl)cc1 467448060 CLYWIRZBQYGNLT-LSDHHAIUSA-N 312.844 4.536 30 20 DJED CC(C)c1occc1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 483982735 NNYHPDBPYOYGNL-QGZVFWFLSA-N 324.424 4.695 30 20 DJED C=CC[C@H](C(=O)N(C)C[C@@H](C)c1ccccc1)c1ccccc1 488359609 BEEKRSLIQTWHGP-XLIONFOSSA-N 307.437 4.608 30 20 DJED N#CCCN(Cc1ccco1)Cc1cc(-c2ccccc2)cs1 505739287 FVVXYCCSORZEKJ-UHFFFAOYSA-N 322.433 4.924 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CCC(Cc2ccc(F)cc2)CC1 522832940 AOEGEEQGYMPSOU-MRXNPFEDSA-N 322.427 4.713 30 20 DJED C[C@H](Sc1ccc(C#N)cc1Cl)C(=O)c1ccccc1 531544586 YULLSISYWYSYRJ-NSHDSACASA-N 301.798 4.575 30 20 DJED C=CC[C@@H](C)[C@@H](C)NCc1cccc(COCc2ccco2)c1 532193093 OLTDLXCRTXTXNY-IAGOWNOFSA-N 313.441 4.687 30 20 DJED CC(C)(C)c1cc(NC(=O)c2coc3ccccc23)c(C#N)s1 539174693 HKNSMGDOKUYVQO-UHFFFAOYSA-N 324.405 4.916 30 20 DJED CC(C)(C)[C@@H](NCc1ccc(CC#N)cc1)c1cccc(F)c1 544118381 ZRUHSLNJRIKTAE-IBGZPJMESA-N 310.416 4.769 30 20 DJED C=CCC[C@@H](NCc1cc(Cl)cc2c1OCC2)c1ccco1 552068386 UXRACRDUHUWUDK-MRXNPFEDSA-N 317.816 4.665 30 20 DJED Cc1cccc2c1[C@H](C)C[C@H]2NC1(c2cccc(C#N)c2)CC1 556606053 QUZHZSJTEIAZQE-DNVCBOLYSA-N 302.421 4.694 30 20 DJED C=CCn1c(C)nnc1SCc1ccc(C2CCCC2)cc1 563472763 GGHYSTVSUSYFCC-UHFFFAOYSA-N 313.470 4.722 30 20 DJED CC[C@@H](NCc1c(C)oc2ccccc12)c1ccc(C#N)cc1 569914574 YQMYGUBCDFGBAT-LJQANCHMSA-N 304.393 4.854 30 20 DJED N#Cc1cc(CNc2ccc(-c3ccco3)cc2F)ccc1F 572569693 BRECCKAGLUOROV-UHFFFAOYSA-N 310.303 4.709 30 20 DJED C=CCCC(=O)Nc1nc(-c2ccc(OCCC)cc2)cs1 588015670 DKBOUMXTNPEPJP-UHFFFAOYSA-N 316.426 4.504 30 20 DJED CC(C)Cc1ccc(C(=O)N(CCC#N)c2ccc(F)cc2)cc1 609522182 WRSLFKBVKVBTMR-UHFFFAOYSA-N 324.399 4.585 30 20 DJED Cc1cccc(-c2nnc(SCCCCC(C)(C)C#N)o2)c1 618140648 LZTYILMXIWHKGW-UHFFFAOYSA-N 315.442 4.857 30 20 DJED C=CCN(Cc1cccs1)C(=O)NC1CCC(CCC)CC1 619364970 HQCSMEONULEVQQ-UHFFFAOYSA-N 320.502 4.805 30 20 DJED C#Cc1cccc(NC(=S)Nc2cccc(O[C@@H](C)CC)c2)c1 726478303 JKBXHLZBYOKBDK-AWEZNQCLSA-N 324.449 4.654 30 20 DJED Cc1cc(C(=O)/C=C/c2ccccc2C(F)(F)F)ccc1O 728230268 CJYVUJCMEPSKBG-RMKNXTFCSA-N 306.283 4.616 30 20 DJED Cc1cc(C(=O)/C=C\c2nc(-c3ccccc3)cs2)ccc1O 728232869 XLNGVDKYCQJPAQ-KTKRTIGZSA-N 321.401 4.720 30 20 DJED N#Cc1cc(F)ccc1CON=Cc1cccc(Cl)c1Cl 728568802 RCFWESVICFVOKY-UHFFFAOYSA-N 323.154 4.555 30 20 DJED N#Cc1cccc(/C=C/C(=O)c2nc(-c3ccccc3)cs2)c1 730085578 QQDXTDVPUGYNBS-MDZDMXLPSA-N 316.385 4.578 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C/c3ccc(Cl)cc3)c2c1 734307590 PHROWMUNBJKDRZ-RUDMXATFSA-N 311.768 4.726 30 20 DJED C=C(Br)CN(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 746650897 FNVKIWOZQAYJTK-JTQLQIEISA-N 322.168 4.607 30 20 DJED CC(C)=C(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 751352535 XNWRRDZMZNZWQW-IBGZPJMESA-N 304.393 4.637 30 20 DJED N#Cc1csc(/C=C2\Cc3cc(Cl)cc(Cl)c3C2=O)c1 764431122 AVGCPPSEQCPSCK-ONNFQVAWSA-N 320.200 4.749 30 20 DJED C[C@H](NCCCCC(C)(C)C#N)c1nc2ccccc2s1 769798739 XSQUCMPDENGMFE-ZDUSSCGKSA-N 301.459 4.667 30 20 DJED C=C(Cl)CN[C@H](C)c1sc(-c2ccc(F)cc2)nc1C 773003616 FNDFIWCDAAQHFI-SNVBAGLBSA-N 310.825 4.661 30 20 DJED CC(C)c1cccc(CN[C@@H](C)c2ccc(OCC#N)cc2)c1 775568167 MQHUXZXFFHMPNW-INIZCTEOSA-N 308.425 4.563 30 20 DJED CC(C)(C#N)CCOC(=O)c1sccc1-c1ccc(F)cc1 776379438 OXQLPZJIVLNFMN-UHFFFAOYSA-N 317.385 4.651 30 20 DJED C#CCCCCCC(=O)N(c1ccccc1)c1nc(C)cs1 779717506 CKBOBZXWRURNHJ-UHFFFAOYSA-N 312.438 4.700 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccc(Cl)s2)c(Cl)c1 788361308 ZFOSUIOPAJWWBD-DJWKRKHSSA-N 308.189 4.823 30 20 DJED FCC[C@@H]1CCCC1=NNc1ccc(Br)cc1F 794905550 UQBUZRJDXRRBEL-VIFPVBQESA-N 317.177 4.516 30 20 DJED C=CCC[C@@H](N[C@H]1CCCc2cn(C(C)C)nc21)c1ccco1 796943290 XOYIMKVMMCGWSQ-SJORKVTESA-N 313.445 4.732 30 20 DJED CC(/C=C\C(=O)c1ccncc1)=C/c1ccccc1C(F)(F)F 799889212 OCVNCCFYSBRDQR-ASZCUJMBSA-N 317.310 4.943 30 20 DJED C#Cc1ccc(CNc2ccc(-c3nc(C)c(C)o3)cc2)cc1 809599158 QSZGLUGUHNDVCE-UHFFFAOYSA-N 302.377 4.552 30 20 DJED O=C(/C=C\c1ccc2ncccc2c1)c1nccc2ccccc12 811698602 LAUTVRIWJQTVTQ-NTMALXAHSA-N 310.356 4.679 30 20 DJED CC(=NNc1ccc(Cl)cc1Cl)c1cc(N)ccc1F 814751465 MUVXZDGZFPIITM-UHFFFAOYSA-N 312.175 4.551 30 20 DJED Clc1cccc(NN=C2CCCC23CCOCC3)c1Cl 841646608 ZRJFQNBUSMLJPZ-UHFFFAOYSA-N 313.228 4.742 30 20 DJED N#C[C@H](C(=O)/C=C\C1CCCC1)c1nc(-c2ccccc2)cs1 842689266 ZYDAUFLBXRWFTI-BLIJAFNYSA-N 322.433 4.733 30 20 DJED Fc1ccc(F)c(C=NNc2ccc(Cl)c(Cl)c2)c1 915933573 BYAZDKUKGHGBCQ-UHFFFAOYSA-N 301.123 4.718 30 20 DJED CC(=NNc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 915963355 ZMJWOFVSTGLSDG-UHFFFAOYSA-N 304.180 4.701 30 20 DJED CC(C)Cc1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)cc1 1126637926 PHPFDNMYBWJRGV-OAHLLOKOSA-N 307.393 4.675 30 20 DJED CC(C)CCC[C@@H](C)N(CCC(C)C)C(=O)c1ccc(C#N)o1 1126643063 PYJPBOGMFPZSPF-MRXNPFEDSA-N 318.461 4.854 30 20 DJED CCc1ccc([C@@H](C)CC(=O)O[C@@H](C)c2cccc(C#N)c2)cc1 1127090977 ZBDXKLHXASKTQW-HOTGVXAUSA-N 321.420 4.919 30 20 DJED N#Cc1nc(N2CCC[C@@H]2CCC2CCCC2)sc1Cl 1162812783 RQGJAAFMAXWSAS-GFCCVEGCSA-N 309.866 4.607 30 20 DJED Cc1cc(C#N)nc(N[C@@H](CC(C)C)c2ccc(Cl)cc2)n1 1185565745 UIAUIJYPGYQLTK-INIZCTEOSA-N 314.820 4.509 30 20 DJED Cc1cccc(Cl)c1CN1CCC(c2ccc(C#N)cc2)CC1 1198210440 IUKFQIVDKMICKT-UHFFFAOYSA-N 324.855 4.900 30 20 DJED CC[C@H](C)N(CC)C(=O)Nc1scc(C(C)(C)C)c1C#N 1205531966 VBRSYBNJYQQXLZ-NSHDSACASA-N 307.463 4.570 30 20 DJED CC(C)c1cc(N[C@H]2CCc3cc(C#N)ccc32)nc(C(C)C)n1 1307114133 ZCASXZZTQXXEFR-KRWDZBQOSA-N 320.440 4.694 30 20 DJED C=CCCOCCCCc1nnc(-c2ccc3ccccc3c2)o1 1327292776 AEAVAHGWMKGOHW-UHFFFAOYSA-N 322.408 4.805 30 20 DJED C=C(CNC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccccc1 1436601748 WUGBNZKSRDBOOH-UHFFFAOYSA-N 321.464 4.746 30 20 DJED CC(C)c1nc(Oc2cccc(F)c2C#N)cc(C(C)(C)C)n1 1458259106 FOSVDHGMHJZGAC-UHFFFAOYSA-N 313.376 4.701 30 20 DJED C[C@H]1CSc2ccccc2N1CCC1(C#N)CCCCC1 1459703857 HBNPGWZUIJEDCB-HNNXBMFYSA-N 300.471 4.851 30 20 DJED CC(C)(C#N)CCCN1CCC[C@]1(C)Cc1ccc(F)cc1 1460269098 IJMKLBZKDABPLG-LJQANCHMSA-N 302.437 4.553 30 20 DJED CC(C)(CC#N)CN[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 1462324844 CFPRAVHJDQULHH-HOTGVXAUSA-N 324.390 4.871 30 20 DJED CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 1518341696 BZPUVWXBWJSBSQ-HUUCEWRRSA-N 322.408 4.971 30 20 DJED Cc1cc(C)c(C#N)c(NC(=O)CC(C)(C)C2CCCCC2)n1 1532079617 OXSXEIRTIZBWCR-UHFFFAOYSA-N 313.445 4.505 30 20 DJED CC(C)[C@H](Cc1ccccc1)NCc1ccc(C#N)cc1Cl 1620580342 UMXCMRGOSUQMMK-IBGZPJMESA-N 312.844 4.569 30 20 DJED C[C@H](CCc1ccc(Cl)s1)Nc1cc(F)cc(C#N)c1 1621478945 OSGWDEZYTUXWIW-SNVBAGLBSA-N 308.809 4.845 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc2ccccc2c1 1643523529 YHVUWNGGDKYLMC-INIZCTEOSA-N 300.405 4.904 30 20 DJED C[C@H](CCc1ccc(F)cc1)N[C@H]1CCCc2cc(C#N)ccc21 1652684682 NPBKVMTUYUAQEV-VFNWGFHPSA-N 322.427 4.686 30 20 DJED COc1ccc(CNc2cc(SC)ccc2Cl)cc1C#N 1656618267 VVXCHEZTXOPMAC-UHFFFAOYSA-N 318.829 4.554 30 20 DJED CCCN(Cc1ccc(C#N)c(C)c1)[C@H]1CCc2ccccc21 1658510446 LZZQAMCIFMZNQK-NRFANRHFSA-N 304.437 4.766 30 20 DJED C[C@@H](CC(C)(C)C#N)Nc1ccc(Cl)cc1OC(F)F 1664162007 WDZGKQLSEVOOLI-VIFPVBQESA-N 302.752 4.682 30 20 DJED Cc1cc(C#N)cc(NC(=O)N[C@H](c2ccccc2)C(C)(C)C)c1 1672775885 SPDQMQGMXDOQAA-GOSISDBHSA-N 321.424 4.776 30 20 DJED CC(C)[C@@H]1CCCN1C(=O)Nc1scc(C(C)(C)C)c1C#N 1677860570 OSGKBVQFGFUEAF-AWEZNQCLSA-N 319.474 4.570 30 20 DJED CC1(C)CCC/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)C1=O 1776550922 NBCZRJMJOAIECX-NTCAYCPXSA-N 324.376 4.807 30 20 DJED C=C(C)CN(CC)C(=O)c1[nH]c2ccc(Cl)cc2c1Cl 49033186 WDMCWLXSYCKTRA-UHFFFAOYSA-N 311.212 4.513 30 20 DJED CCc1cccc(NC(=O)Nc2cccc(OCCCC#N)c2)c1 113526407 UGBIIWWOHSODMM-UHFFFAOYSA-N 323.396 4.576 30 20 DJED N#CCCCOc1cccc(NCc2ccc(F)cc2Cl)c1 135931600 ASCHOLXVNGVFLF-UHFFFAOYSA-N 318.779 4.774 30 20 DJED Cc1ccc(C(C)(C)C)cc1[S@@](=O)CCCC(C)(C)C#N 177073487 YPSFYKSNPWMKLM-NRFANRHFSA-N 305.487 4.730 30 20 DJED Cc1cc(C)c(C#N)c(S[C@H](C)c2ncc(C(C)(C)C)o2)n1 177159359 KPYGTYYZUISYHM-GFCCVEGCSA-N 315.442 4.709 30 20 DJED C=C(C)[C@H](NCc1cccc2cccnc12)c1ccc(F)c(F)c1 187375425 ZFIPVXNOCKLDKX-IBGZPJMESA-N 324.374 4.920 30 20 DJED O=C(/C=C\c1ccc(Cl)cc1Cl)c1ccc(O)c(F)c1 220139881 JSWOWDOWOMTFLY-DJWKRKHSSA-N 311.139 4.734 30 20 DJED C[C@H](CCC(C)(C)C)NCc1cccc(OCCCC#N)c1 237378024 JOKACSXEUXHOKL-MRXNPFEDSA-N 302.462 4.674 30 20 DJED CC(C)(C#N)c1ccccc1CN[C@@H](c1ccccc1)C(F)F 292866889 WVEZUHMWEWKIGW-KRWDZBQOSA-N 314.379 4.584 30 20 DJED C=CCC[C@@H](Nc1nnc(C(F)(F)F)s1)c1ccccc1 302406235 HRRPJQCRXFNMAZ-LLVKDONJSA-N 313.348 4.676 30 20 DJED C[C@@H](Nc1ccc(F)cc1C#N)c1ccc(C(F)(F)F)cc1 317367225 JNFULQALMWLSIV-SNVBAGLBSA-N 308.278 4.889 30 20 DJED Cc1nc(C2CC2)oc1/C(O)=N/[C@@H]1CCC(C)(C)c2ccccc21 329804378 ZYRPEWWITHFNRI-MRXNPFEDSA-N 324.424 4.978 30 20 DJED CCCCC1CCC(C(=O)N2CCC(CCC#N)CC2)CC1 399718265 FVLPKSBFWMTADQ-UHFFFAOYSA-N 304.478 4.525 30 20 DJED N#Cc1ccc(CSc2nc(-c3ccccc3)co2)c(F)c1 436243944 IWIJZQTXILECKF-UHFFFAOYSA-N 310.353 4.645 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](c1cc2ccccc2o1)C(C)C 436302949 BBGTZGPVUIZTPK-AHRSYUTCSA-N 313.441 4.701 30 20 DJED CC(C)(C#N)CCCCN1CC[C@H](Oc2cccc(Cl)c2)C1 444665154 PIQPQZBPVFWFTA-KRWDZBQOSA-N 320.864 4.513 30 20 DJED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1Cl 452649862 ULPQRRQLWGIBNF-KGLIPLIRSA-N 304.821 4.561 30 20 DJED CC(C)(C#N)CCCN(CCc1ccc(F)cc1)C1CCCC1 464874588 BPLXODIPUXZUSX-UHFFFAOYSA-N 316.464 4.943 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCC1CCCC1 464953474 ORFWXGVDWHXDLI-WOJBJXKFSA-N 324.468 4.645 30 20 DJED N#CCCCCN1CCC[C@H](Cc2csc3ccccc23)C1 466953978 YRCDCSZVCGSDHM-MRXNPFEDSA-N 312.482 4.850 30 20 DJED Cc1ccc(Sc2ccc(NC(=O)[C@@H](C)C#N)cc2)c(C)c1 468207043 ZGTLGOHJNQLBTN-AWEZNQCLSA-N 310.422 4.553 30 20 DJED C=C(C)CN(C)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 477471084 NKXHZCYQKCZNGA-UHFFFAOYSA-N 316.351 4.672 30 20 DJED CC(C)Sc1c(Cl)cccc1NCc1cc(C#N)n(C)c1 480280949 VPQNFFGFOKIUSR-UHFFFAOYSA-N 319.861 4.663 30 20 DJED Cc1ccc(CCNc2ccccc2SC[C@H](C)C#N)cc1 486193780 COYSZHWRXNEJPC-MRXNPFEDSA-N 310.466 4.901 30 20 DJED C[C@H]1C[C@@H]1c1ccc(CN(Cc2cc(C#N)cs2)C2CC2)o1 506565074 WXDWUFSLOCIDOQ-SJCJKPOMSA-N 312.438 4.501 30 20 DJED CCCN(Cc1cc(C#N)ccc1F)[C@H]1CCc2ccccc21 521819344 ZHFBPSVKKKZZQW-FQEVSTJZSA-N 308.400 4.597 30 20 DJED C=CC[C@@H](C)NC(=O)c1sc(-c2ccccc2)cc1OCC 523962986 PUHYQYMQGIMJBK-CYBMUJFWSA-N 315.438 4.508 30 20 DJED Cc1ccc(Oc2ccc(NC(=O)C3(C#N)CC(C)C3)cc2)cc1 532066542 UTXKYKZKFMBWRQ-UHFFFAOYSA-N 320.392 4.666 30 20 DJED CC(C)(CCC#N)CN1CCc2cc(Cl)cc(Cl)c2C1 537661415 PDJAMWLGYJMGBE-UHFFFAOYSA-N 311.256 4.681 30 20 DJED CCc1cc(C#N)c(NC(=O)c2ccc(C)c(C)c2Cl)s1 541233367 IDBIDMRKXNIDGU-UHFFFAOYSA-N 318.829 4.705 30 20 DJED Cc1nc(-c2ccccc2)sc1[C@H](C)Nc1cc(C#N)ccn1 575771685 RSXFACFAVVUZAL-LBPRGKRZSA-N 320.421 4.558 30 20 DJED CC(C)[C@@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)c2ccccc21 581226656 ACTPRMQHSJSXRO-INIZCTEOSA-N 324.811 4.612 30 20 DJED CC(C)CCOc1cccc(NC(=O)CCCCCC#N)c1 588153988 HEANWAXWTOFHGG-UHFFFAOYSA-N 302.418 4.524 30 20 DJED N#CCCCCCC(=O)Nc1ccccc1Cc1ccccc1 588746702 SEMHFZDTSQAUTG-UHFFFAOYSA-N 306.409 4.690 30 20 DJED N#Cc1ccccc1SCc1ccc(Br)cc1 610294635 HISDOUNKLQWVHY-UHFFFAOYSA-N 304.212 4.613 30 20 DJED CCN(C[C@H]1CCOc2ccccc21)[C@@H](C)c1ccc(C#N)cc1 611256353 VORACHFOJZFLDU-QFBILLFUSA-N 320.436 4.507 30 20 DJED CC[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1F 618804068 JUWDVNMGUISAHM-RBUKOAKNSA-N 312.363 4.565 30 20 DJED O=C1/C(=C\c2cccc(OC(F)(F)F)c2)CCc2sccc21 727975696 VMSCLUYHUYYSLH-FLIBITNWSA-N 324.323 4.859 30 20 DJED Cc1cccc(C(=O)/C=C/c2c[nH]nc2-c2cccc(C)c2)c1 728786019 QRLRRVFCXRLMHJ-MDZDMXLPSA-N 302.377 4.590 30 20 DJED Cc1cc(F)ccc1C(=O)/C=C/c1csc(-c2ccccn2)n1 731320769 YXVZPOOVVPEQGL-SOFGYWHQSA-N 324.380 4.549 30 20 DJED N#C[C@H](NC(=O)C=C1CCCCC1)c1c(Cl)cccc1Cl 733259797 LHBVEBWFXAIEPF-AWEZNQCLSA-N 323.223 4.565 30 20 DJED CC[C@H](OC(=O)c1ccccc1CC#N)c1ccc(Cl)cc1 733428286 TVAGLQSIFRJPBA-KRWDZBQOSA-N 313.784 4.714 30 20 DJED Cc1ccc(/C=C2\CCOc3c(Cl)cccc3C2=O)s1 733749473 XOHMUAKHDPCKIQ-PKNBQFBNSA-N 304.798 4.759 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C\c3ccccc3Cl)c2c1 734307052 LBBWVGVSPYQZMI-TWGQIWQCSA-N 311.768 4.726 30 20 DJED Cc1nc2scc(C)n2c1C=NNc1cccc2ccccc12 747060295 OPDMQUBZIFDUQY-UHFFFAOYSA-N 320.421 4.612 30 20 DJED N#Cc1ccc(CC(=O)Oc2ccc(Cl)c3ccccc23)cc1 749786932 ZZNHXNTXCNNJIK-UHFFFAOYSA-N 321.763 4.513 30 20 DJED O=C(/C=C\c1cc2ccccc2o1)c1nc2ccccc2s1 750902089 IHRTWCZWRIFEJC-KTKRTIGZSA-N 305.358 4.939 30 20 DJED N#Cc1csc(C(=O)OC(c2ccccc2)c2ccccc2)c1 752167385 DJQGDQAVACLVGX-UHFFFAOYSA-N 319.385 4.566 30 20 DJED C=CCN(C(=O)c1cc(-c2ccc(F)cc2)c(C)s1)C(C)C 755194384 QOAGHJVGJYVQGR-UHFFFAOYSA-N 317.429 4.899 30 20 DJED N#Cc1ccccc1/C=C\C(=O)c1cc(Cl)sc1Cl 755581547 NYKQJHDZVOZZRA-WAYWQWQTSA-N 308.189 4.823 30 20 DJED Cc1ccccc1C=NOCc1nc(-c2ccccc2)cs1 766685328 RDEGBTJZEJVKQP-UHFFFAOYSA-N 308.406 4.669 30 20 DJED CC(C)(C#N)CCCCOC(=O)c1ccc(C(F)(F)F)cc1 768372337 JOWFGSHEHKLWQX-UHFFFAOYSA-N 313.319 4.582 30 20 DJED C=CC[C@H](C(=O)Oc1cccc2ncccc12)c1ccccc1 777517392 QFPRTIVHKJJCKW-INIZCTEOSA-N 303.361 4.500 30 20 DJED O=C(/C=C/C=C\c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 782189118 OBBDBOSODWUGJK-MVTUOISNSA-N 313.740 4.701 30 20 DJED CC(C)C(C)(C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 784491985 HUOGCOLDJIXDMJ-LLVKDONJSA-N 320.845 4.808 30 20 DJED CCC1(CC)Oc2ccc(NCc3ccc(C#N)s3)cc2O1 786831766 QQBGYAFKAGKAJY-UHFFFAOYSA-N 314.410 4.519 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2nccc3ccccc23)c(Cl)c1 788361094 TXSGOCOYSUBVSU-FPLPWBNLSA-N 318.763 4.656 30 20 DJED CCCC1(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)CCC1 797568188 OVHQTHUKJGLKPP-LBPRGKRZSA-N 304.459 4.587 30 20 DJED N#CCOc1ccc(Cl)cc1CSC/C(Cl)=C/Cl 808360171 WEZBUZGIRSPJNJ-WDZFZDKYSA-N 322.644 4.795 30 20 DJED C[C@@H](Oc1cc(C=O)cc(C(F)(F)F)c1)c1cccc(C#N)c1 810030526 XDMZMPKDMORRGK-LLVKDONJSA-N 319.282 4.530 30 20 DJED Clc1ccc(Cl)c(C=Nn2cnc3ccccc32)c1Cl 818269046 ZAGZVIUQSYLPCJ-UHFFFAOYSA-N 324.598 4.879 30 20 DJED CCC(C#N)(CC)C(=O)OCc1nc(C2CCCCC2)cs1 860197786 HTMKLDMPGXCLOP-UHFFFAOYSA-N 320.458 4.564 30 20 DJED Clc1cc(Cl)cc(-c2nc(CON=CC3CC3)co2)c1 863476656 KUQPIQCBGGPKGJ-UHFFFAOYSA-N 311.168 4.561 30 20 DJED C=C[C@H](Cc1nc(-c2ccc(F)cc2F)no1)c1ccccc1 904803776 YJPNZBKUCCASDN-GFCCVEGCSA-N 312.319 4.527 30 20 DJED CC(=NNc1ccc(C(F)(F)F)cn1)c1ccc(C)cc1C 915917799 OTOMTEJEXDIRKE-UHFFFAOYSA-N 307.319 4.553 30 20 DJED N#Cc1ccc(OCCCSc2c(F)cc(F)cc2F)cc1 917441777 KHTZGHPXEVTLIJ-UHFFFAOYSA-N 323.339 4.537 30 20 DJED Cc1cc(OC(C)C)ccc1N=Cc1cc2ccccc2nc1O 917558036 ZRGWHXZRXMVYCV-UHFFFAOYSA-N 320.392 4.787 30 20 DJED CC[C@H](C#N)[C@@H](OC(=O)C[C@H](C)c1ccco1)c1cccs1 1123106235 MCGAGWRDSBUUCE-OGHNNQOOSA-N 317.410 4.669 30 20 DJED CCC(CC)[C@H](NC(=O)Nc1ccc(C#N)cc1)c1ccccc1 1214154486 BEVVPXFTOTWSAC-IBGZPJMESA-N 321.424 4.857 30 20 DJED C[C@@H](Cc1cccc(Cl)c1)c1nnc(-c2ccc(C#N)cc2)o1 1261427429 YGQSXCOAOFRXTH-LBPRGKRZSA-N 323.783 4.608 30 20 DJED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)c1cccc(F)c1C#N 1306947235 QDIPNJCOLUVQGO-NSHDSACASA-N 322.305 4.914 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@@H](c2ccccc2)CC1 1307453632 UPXKFNYOWJRITB-HXUWFJFHSA-N 304.437 4.636 30 20 DJED CC(C)(C#N)CCCN1CCC[C@]1(C)Cc1ccccc1F 1307871834 HYNHXBREVJPWLK-LJQANCHMSA-N 302.437 4.553 30 20 DJED C/C(=C/C(=O)[C@@H](C#N)c1nc(C(C)C)cs1)c1cccs1 1342713669 AFJIBNUMGGUFAY-SEVUFMINSA-N 316.451 4.608 30 20 DJED N#Cc1c(F)cccc1Sc1nc2cc(F)ccc2s1 1458593076 KXCNTHHYNMYNQJ-UHFFFAOYSA-N 304.346 4.597 30 20 DJED CC[C@@H](C)N(CCc1ccc(C#N)cc1)CCc1ccccc1F 1459385505 GPYNSHKUPSDTOJ-QGZVFWFLSA-N 324.443 4.583 30 20 DJED N#CCC1(CN[C@@H]2CCCC[C@H]2c2ccccc2Cl)CC1 1462164060 QIDZDHAJIIPLKB-DOTOQJQBSA-N 302.849 4.650 30 20 DJED Cc1nc(N[C@H](C)c2ccc(Cl)c(Cl)c2)ccc1C#N 1472776667 ZUTWOUKVPLUSGU-SECBINFHSA-N 306.196 4.742 30 20 DJED CCc1c(C)sc(NC(=O)C[C@@H]2CCCC[C@H]2C)c1C#N 1520400191 QBEDFAFIPLYGAM-YPMHNXCESA-N 304.459 4.646 30 20 DJED CC(C)[C@@H]1C[C@H](Nc2nc(C#N)c(Cl)s2)c2ccccc21 1559255952 NHHLMTDJHPYNMF-STQMWFEESA-N 317.845 4.965 30 20 DJED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCC[C@@H]1CCC(C)C 1562483523 ATGGQMYCFILKMS-CRAIPNDOSA-N 313.445 4.593 30 20 DJED Cc1cc(OCc2coc(-c3ccc(Cl)cc3)n2)ccc1C#N 1613749950 JQPLQIMKWRDWAX-UHFFFAOYSA-N 324.767 4.754 30 20 DJED N#Cc1ccc(CCN2C[C@@H]3CCCC[C@@]32c2ccccc2)cc1 1644801946 JHRZMUFKCKFWHF-FCHUYYIVSA-N 316.448 4.502 30 20 DJED CC(C)[C@H]1CN(c2snc(Cl)c2C#N)c2ccccc21 1651812048 PKYXVHRIFKPHJH-GFCCVEGCSA-N 303.818 4.559 30 20 DJED CC[C@@H]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)C1 1652696960 OYRNMOWJZBTVFT-LJQANCHMSA-N 318.464 4.618 30 20 DJED CCc1ccc([C@@H]2CCCN(CCc3ccc(C#N)cc3)C2)cc1 1654379785 PJHKUHFGDQDUPW-JOCHJYFZSA-N 318.464 4.543 30 20 DJED N#Cc1cc(Oc2ccc(NC[C@@H]3C[C@H]4CC[C@H]3C4)cc2)ccn1 1656353767 XTHJZKBRACPFFY-JYJNAYRXSA-N 319.408 4.594 30 20 DJED Cc1ccc(Cl)cc1N[C@H](C)c1ccc(OCC#N)cc1 37184650 ZLPCHCADLYKGKZ-CYBMUJFWSA-N 300.789 4.724 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(OC(C)C)cc1 57761053 UGSFVQGGXIGLRM-UHFFFAOYSA-N 324.424 4.694 30 20 DJED CC(C)c1ccc(-n2ccnc2SC[C@@H](C#N)CCC#N)cc1 66400884 RGFDFULBKXNORC-OAHLLOKOSA-N 324.453 4.531 30 20 DJED Cc1cc(C)cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 66801298 FJOJWNPKZYRRBX-HNNXBMFYSA-N 324.449 4.950 30 20 DJED N#CCC[C@@H](N[C@H]1CCc2cc(Cl)ccc21)c1ccccc1 90664927 JOVIXBTXBQJNSD-MOPGFXCFSA-N 310.828 4.962 30 20 DJED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)C1CCC1 103934274 MTEPQYJDHTVHNF-UHFFFAOYSA-N 324.811 4.545 30 20 DJED CC(C)(C)CCC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 121844278 UXKFPRWOIWZQSS-LLVKDONJSA-N 320.845 4.952 30 20 DJED C[C@@H](Nc1ccc(CC#N)cc1)c1ncc(-c2ccccc2)o1 173822596 FXMAUZHIZBPOEY-CQSZACIVSA-N 303.365 4.581 30 20 DJED CCN(C(=O)c1cccc(Cl)c1Cl)c1ccc(C#N)cc1 174077720 DPGXKHGKPBJDDI-UHFFFAOYSA-N 319.191 4.532 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCc1cc(F)ccc1F 176881016 LQAWXRGCKIEXRZ-LBPRGKRZSA-N 318.392 4.971 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)c2cc3ccccc3o2)n1 177756666 LTBSFMNCABONJN-GFCCVEGCSA-N 310.378 4.503 30 20 DJED C[C@H](/N=C(/O)CC1CCCCC1)/C(O)=N/C1CCC2(CC1)CC2 328663471 BCOHVOYVHZTVNO-AWEZNQCLSA-N 320.477 4.981 30 20 DJED CC(C)(C)OCCCCNc1ccccc1SCCC#N 352536594 HONXBPBXKOKCOW-UHFFFAOYSA-N 306.475 4.700 30 20 DJED C=CCN(Cc1ccccc1)C(=O)CCCc1ccc(C)s1 429933765 OHMKBEIMMZQGSH-UHFFFAOYSA-N 313.466 4.594 30 20 DJED C=C[C@H](CC(=O)N[C@H]1C[C@H](c2ccccc2F)C1)c1ccccc1 437413316 QRGYFKDMRAIOKG-KBAYOESNSA-N 323.411 4.548 30 20 DJED C[C@H](Sc1ncccc1Br)c1cccc(C#N)c1 442914295 MANBLSRAWWRBPY-JTQLQIEISA-N 319.227 4.569 30 20 DJED N#C[C@H]1CCC[C@@H](NC2(c3cccc(C(F)(F)F)c3)CCC2)C1 447584434 GAIXWPZZCMQNMJ-XJKSGUPXSA-N 322.374 4.757 30 20 DJED C=CCCN(C)C(=O)c1ccc(Sc2ccc(Cl)cc2)o1 469886037 ZPXBLMZGSWYEDL-UHFFFAOYSA-N 321.829 4.732 30 20 DJED C=CCN(C(=O)c1ccc(-c2ccccc2F)o1)c1ccccc1 484267520 WONKNEJANRQCET-UHFFFAOYSA-N 321.351 4.919 30 20 DJED CC1(C#N)CCN([C@@H]2CCc3c(Cl)cc(Cl)cc32)CC1 506016463 CHIQMBYEWNEIHA-OAHLLOKOSA-N 309.240 4.606 30 20 DJED CCN(Cc1ccc(-c2ccc(F)cc2)s1)C[C@@H](C)C#N 509817737 DRISXEXZHCAXGY-ZDUSSCGKSA-N 302.418 4.536 30 20 DJED CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 509988229 WNDGNNOKGQATIR-YWZLYKJASA-N 322.408 4.596 30 20 DJED C=CCCC[C@@H](C)NC(=O)c1ccccc1-c1ccccc1C#N 537240237 YYVBAFAMSOGCPX-MRXNPFEDSA-N 318.420 4.700 30 20 DJED CCCOc1ccc(CN[C@H](CC)c2ccc(C#N)cc2)c(C)c1 564774550 TTZMHBNSKZGWRW-OAQYLSRUSA-N 322.452 4.896 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H]1C[C@@H]1c1ccccc1 582632724 CRSUFVRZEOPEFP-LEWJYISDSA-N 323.484 4.646 30 20 DJED C[C@@H](NC(=O)CCCCCC#N)c1cccc(Cl)c1Cl 588158798 NPSDZSMVZQAFOT-LLVKDONJSA-N 313.228 4.645 30 20 DJED C=CCOc1ccc(C(=O)N(c2ccccc2)C2CCCC2)cc1 595298617 KODKGNXQGBIVOK-UHFFFAOYSA-N 321.420 4.841 30 20 DJED CCC[C@H](C(=O)NCC(C)(C)CCC#N)c1cccc(Cl)c1 599940879 DESLDXNRIOSKOB-INIZCTEOSA-N 320.864 4.670 30 20 DJED CSc1ccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)cc1F 610829966 UOPUBLRSQDAVGQ-CHWSQXEVSA-N 314.429 4.831 30 20 DJED CCCOc1ccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)cc1 610830523 YMUANXROHOXTRQ-HZPDHXFCSA-N 308.425 4.759 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NC1CCC(C(F)(F)F)CC1 611390862 VMPWGRLCBIFPAF-DQPZFDDXSA-N 322.374 4.646 30 20 DJED C[C@@]1(C#N)CCCN(C(=O)CC2CCC(c3ccccc3)CC2)C1 612251168 NZEYBZVFDAEUGW-XTXLOEGASA-N 324.468 4.503 30 20 DJED Cc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)ccc1Cl 675268590 SXNTWWYHNMNOTD-HNNXBMFYSA-N 320.779 4.687 30 20 DJED Cc1ccc(C(=O)/C=C/c2cnc3ccc(Cl)cn23)cc1C 737444133 OBWZWZRIZOBEQT-VOTSOKGWSA-N 310.784 4.501 30 20 DJED CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(Cl)c2)cc1 741469655 WLYGEXCGEBBBOY-ONNFQVAWSA-N 316.784 4.643 30 20 DJED CSc1ccc(C(C)=NNc2c(F)cccc2F)cc1F 741763498 PPKRULLKEYELOE-UHFFFAOYSA-N 310.344 4.662 30 20 DJED CC(=NNc1cccc2ccccc12)c1ccc2c(c1)CCO2 747060148 JXEADCCYAGRXDN-UHFFFAOYSA-N 302.377 4.611 30 20 DJED Cc1cc(/C=C/C(=O)c2c[nH]c3cc(F)ccc23)cc(C)c1O 749450615 AWGILYABICIMAN-ZZXKWVIFSA-N 309.340 4.526 30 20 DJED CCCCCCCC(=O)N1CCC[C@@H]1CC(=O)c1cccs1 751187110 BEEDHMZJCIOJJS-OAHLLOKOSA-N 321.486 4.672 30 20 DJED C[C@@H](N[C@H](C)c1cc2c(cc1O)CCCC2)c1ccc(C#N)cc1 756454288 BVSNXTDXYRXCMR-HUUCEWRRSA-N 320.436 4.554 30 20 DJED C#CC[C@@H](NCc1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccccc1 756995032 CFRJCKUQDFDHQR-LJQANCHMSA-N 322.408 4.572 30 20 DJED CCCCCCCCC(=O)N1CCC[C@@H]1CC(=O)c1ccco1 758694264 DLICTOCGLJNUMY-MRXNPFEDSA-N 319.445 4.594 30 20 DJED C#Cc1ccc(C(=O)O[C@H](C)c2sc3ccccc3c2C)nc1 767567475 SXLHBKKGTGTKEW-CYBMUJFWSA-N 321.401 4.504 30 20 DJED Cc1cc2c(cc1C)C(=O)/C(=C/c1cc(C#N)cs1)CS2 777471956 VETBWQJBHGGBTJ-AWNIVKPZSA-N 311.431 4.609 30 20 DJED CCOc1c(Cl)cccc1/C=C\C(=O)c1ccc(C#N)cc1 782302955 TXKNXIIPNAGZLX-KHPPLWFESA-N 311.768 4.506 30 20 DJED CC(=NNc1cccc(Cl)c1F)c1ccc(C#N)cc1Cl 788425624 SIPVZLNSATXSLS-UHFFFAOYSA-N 322.170 4.840 30 20 DJED N#CC[C@@H](CC(=O)Oc1ccc(C2CCC2)cc1)c1ccccc1 796849084 FHWQRIBZNJTHFY-IBGZPJMESA-N 319.404 4.947 30 20 DJED N#C[C@@H]1CC[C@H](Nc2ccc(N3CCCCCCC3)c(F)c2)C1 799723561 MISQTNCESAIUCE-CVEARBPZSA-N 315.436 4.700 30 20 DJED C#C[C@H](CCC)NC(=O)Nc1c(CCC)cccc1C(C)C 806450555 XIIHLXSXOGCHEX-MRXNPFEDSA-N 300.446 4.686 30 20 DJED N#Cc1ccc(N(C(=O)CCCc2ccsc2)C2CCC2)cc1 857677037 XSGUDTBICKOBSP-UHFFFAOYSA-N 324.449 4.528 30 20 DJED CC(=NNc1nc(-c2ccccc2)cs1)c1ccccc1C 916545784 YQOFNCRLIDTSHW-UHFFFAOYSA-N 307.422 4.955 30 20 DJED COc1ccc(Cl)cc1/C=C\C(=O)c1ccc(F)cc1F 917143024 UZVXETSVTRHONW-KXFIGUGUSA-N 308.711 4.523 30 20 DJED N#Cc1ccnc(/C=C/c2ccc(Cl)c(C(F)(F)F)c2)c1 1117390884 BQAZDYCGMIMGMJ-HNQUOIGGSA-N 308.690 4.796 30 20 DJED CCCCc1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)cc1 1127296502 IARGILVMNUAPQI-FQEVSTJZSA-N 320.436 4.804 30 20 DJED CC[C@@H](c1ccccc1)N(C(=O)c1ccc(F)c(C#N)c1)C(C)C 1131575550 CTONIVUMRQTPIM-IBGZPJMESA-N 324.399 4.699 30 20 DJED Cc1nc(N[C@H](c2ccc(F)cc2)C2CCCC2)ccc1C#N 1162417947 PVBJRNLMVFZBJX-IBGZPJMESA-N 309.388 4.744 30 20 DJED CC(C)C1CCC(Nc2c(Br)cccc2C#N)CC1 1162763241 RTNIVAUHBBBRDM-UHFFFAOYSA-N 321.262 4.947 30 20 DJED Cc1nc(N[C@@H](c2ccc(F)cc2F)C(C)(C)C)ccc1C#N 1162819278 VTMRULLDUXYBMH-KRWDZBQOSA-N 315.367 4.739 30 20 DJED CC(C)(C)[C@@H]1CCC[C@@H](NCc2cccc(F)c2C#N)CC1 1180934678 IKJCNHWBYAJJNE-HZPDHXFCSA-N 302.437 4.782 30 20 DJED COc1ccccc1[C@H](CC(C)C)Nc1cccc(F)c1C#N 1185657863 JAYKUHPICIVWBZ-SFHVURJKSA-N 312.388 4.905 30 20 DJED Cc1cc(C#N)ccc1CN(C)Cc1cccc(Cl)c1Cl 1233083156 YMLYVDWYQIMLFK-UHFFFAOYSA-N 319.235 4.806 30 20 DJED Cc1cc(C)cc(Oc2ccc(Nc3ccc(C#N)nn3)cc2)c1 1306939211 ALFGYBXLPAHHAC-UHFFFAOYSA-N 316.364 4.501 30 20 DJED C=C(Cl)CSCc1ccc(OCc2ccccn2)cc1 1326983702 PAZACEXPCNVVPD-UHFFFAOYSA-N 305.830 4.646 30 20 DJED C=C[C@@H](OC(=O)c1oc(C2CC2)nc1C(F)F)c1ccccc1 1337610301 ANNYNAGEVMEGIE-GFCCVEGCSA-N 319.307 4.574 30 20 DJED C[C@H]1C[C@H](C(=O)Nc2sc3c(c2C#N)CCCC3)CC[C@H]1C 1350252238 PCRDVZLQMDMUKW-FRRDWIJNSA-N 316.470 4.509 30 20 DJED CC[C@H](CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C(C)C 1352002148 ULDGIBVDMWBNJU-QWHCGFSZSA-N 318.486 4.755 30 20 DJED Cc1ccccc1SC[C@H](C)CSc1cc(C#N)ccn1 1458915948 YALKUKRIGOSBJL-ZDUSSCGKSA-N 314.479 4.782 30 20 DJED Cc1sc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)c(C#N)c1C 1529477608 KVIJXIJRPVUQNE-RBSFLKMASA-N 316.470 4.782 30 20 DJED Cc1scc(COC(=O)c2ccc(C(C)(C)C#N)cc2)c1C 1544506964 LQQLQEUJNCUYBF-UHFFFAOYSA-N 313.422 4.523 30 20 DJED COc1cc(C#N)ccc1CN(c1ccccc1)[C@@H](C)C(C)C 1560137292 ANCLOISSVYDRFD-INIZCTEOSA-N 308.425 4.618 30 20 DJED CC(C)c1ccc(C[C@H](C)Nc2nc(C#N)c(Cl)s2)cc1 1612145551 RXNSIDSSTCMKRY-NSHDSACASA-N 319.861 4.835 30 20 DJED C=C(Cl)CN1CCC(C)(C)c2ccc(Br)cc21 1642842636 JQVRDMSTPSAZOB-UHFFFAOYSA-N 314.654 4.689 30 20 DJED CC(C)(C)C1CCC(CNc2snc(Cl)c2C#N)CC1 1650844979 RVIINKRRQHXUFT-UHFFFAOYSA-N 311.882 4.933 30 20 DJED CC[C@@H](Nc1nc(C)c(C#N)cc1Cl)c1ccc(F)cc1F 1651542115 NJZXJPWYQDTIQR-OAHLLOKOSA-N 321.758 4.757 30 20 DJED Cc1cc(NCC2(C(C)C)CC2)n2c(nc3ccccc32)c1C#N 1651592622 DXAXRVCYAHMPHM-UHFFFAOYSA-N 318.424 4.516 30 20 DJED Cc1ccc([C@@H]2CCC[C@H]2N(C)Cc2ccc(C#N)cc2F)cc1 1651738485 ZGMYISGJWWVRLF-PZJWPPBQSA-N 322.427 4.774 30 20 DJED N#Cc1cccc(Br)c1NCc1cccc(Cl)c1 1654895957 GXLSOAPFOBUZNH-UHFFFAOYSA-N 321.605 4.586 30 20 DJED CCCCc1ccc([C@H](Nc2cncc(C#N)n2)C(C)C)cc1 1654913358 JBGTVFUFZIJHKK-LJQANCHMSA-N 308.429 4.500 30 20 DJED N#Cc1cc(Cl)ccc1CSc1nc2ccc(F)cc2o1 1656893758 KYYMBNWNYOMLGO-UHFFFAOYSA-N 318.760 4.784 30 20 DJED C[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2C#N)c2ccccc21 1659661551 JXFVAAVRRDDJHH-CYBMUJFWSA-N 323.371 4.633 30 20 DJED C[C@H](CCc1ccccc1)CN[C@@H](CCC#N)c1ccccc1 1661985784 FJBPXFQTEYYNGC-NQIIRXRSSA-N 306.453 4.890 30 20 DJED CC(C)CC[C@@H]1CCC(=NNc2ccc(C(=O)O)c(F)c2)C1 1776075523 MRGKYFCOWRKLFH-GFCCVEGCSA-N 306.381 4.528 30 20 DJED CCc1cccc2cc(/C=C\C(=O)c3cccc(C(=O)O)c3)oc12 1776977835 OQLGMNUMLXAPEQ-KTKRTIGZSA-N 320.344 4.590 30 20 DJED C=CCN(Cc1cc(-c2ccccc2)no1)Cc1ccccc1F 59834125 MZSNDBGKNASOGI-UHFFFAOYSA-N 322.383 4.669 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1=CCCCCC1 131160666 OGVSSUUFXRILGC-AWEZNQCLSA-N 314.454 4.910 30 20 DJED CC[C@@H]1CCCCCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 158131685 YNNGIQMKMDKLKG-QGZVFWFLSA-N 313.445 4.674 30 20 DJED CC(C)(C#N)c1ccccc1CNC1(c2ccccc2)CCC1 178512018 YLZIWQWNZGJEDT-UHFFFAOYSA-N 304.437 4.657 30 20 DJED C[C@@H](NC1(c2ccc(F)cc2F)CCC1)c1cccc(C#N)c1 179752100 SBUGCGULJDCSQE-CYBMUJFWSA-N 312.363 4.566 30 20 DJED Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1ccc(C#N)s1 180143784 QWGUJGNAHAQZDE-LBPRGKRZSA-N 319.499 4.701 30 20 DJED CCOc1cccc2cc([C@@H](C)NCc3ccccc3C#N)oc12 180360641 YEWOWPFCNFLHMW-CQSZACIVSA-N 320.392 4.554 30 20 DJED C[C@H](N[C@H]1CC(C)(C)c2ccccc21)c1ccc(OCC#N)cc1 180539005 VATIFZMHBUZXML-YWZLYKJASA-N 320.436 4.662 30 20 DJED CC(C)CC(=O)Nc1ccc(N[C@H](C)c2cccc(C#N)c2)cc1 182897809 OHNTYFFYKJTNEE-OAHLLOKOSA-N 321.424 4.716 30 20 DJED C=CCC1(C(=O)N2CCc3cc(-c4ccccc4)oc3C2)CCC1 188707615 YXDITFRQILVYIC-UHFFFAOYSA-N 321.420 4.578 30 20 DJED Cc1ccccc1NC(=O)[C@@H](C)S[C@@H](C)c1cccc(C#N)c1 190888940 HZWIHKXJBIOSBS-LSDHHAIUSA-N 324.449 4.688 30 20 DJED CC1(C)CCCC[C@H]1Nc1ccc(C#N)c(Br)c1 228191553 ORFUYEQBYBGSRR-CQSZACIVSA-N 307.235 4.701 30 20 DJED CSc1ccc(/C=C\C(=O)c2c(C)nn(C(C)C)c2C)cc1 255131031 LFTSPZMVMDWPNL-FLIBITNWSA-N 314.454 4.699 30 20 DJED CCOc1ccc(/C=C/C(=O)c2ccc(C)s2)cc1OCC 303064182 VHUAWASDDSEMGR-VQHVLOKHSA-N 316.422 4.750 30 20 DJED Cc1ccc(F)c(N=C(O)C2CCC(/N=C(/O)C3CC3)CC2)c1 330002280 YRNCXQSXDGKJDV-UHFFFAOYSA-N 318.392 4.647 30 20 DJED CCSc1ccc(C(=O)N(CCC#N)CC(CC)CC)cc1 350784685 GGGGXPGGFANKMQ-UHFFFAOYSA-N 318.486 4.591 30 20 DJED N#CCCSCCCCOc1cccc(C(F)(F)F)c1 413015891 UUZVRKGTUSFXHP-UHFFFAOYSA-N 303.349 4.511 30 20 DJED CC(C)c1ccccc1NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 424112653 KVXQOPYYLANXEB-OAHLLOKOSA-N 321.424 4.907 30 20 DJED C[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1SC[C@H](C)C#N 424657457 DYKFUTSJAUTYIG-QLFBSQMISA-N 316.470 4.703 30 20 DJED N#CCCN(Cc1ccco1)Cc1csc(Cl)c1Cl 432752039 HSVDLEYSKWIOLN-UHFFFAOYSA-N 315.225 4.564 30 20 DJED CCC[C@@H](NC1CCC(C)(C#N)CC1)c1ccc(F)cc1F 449185110 GANVBNNUTCDDGY-ZCDVPAHGSA-N 306.400 4.868 30 20 DJED CCC[C@H](NC(=O)[C@H](C)c1cccc(C#N)c1)C1CCCCC1 462042319 XNVDUFJQUJIION-BEFAXECRSA-N 312.457 4.527 30 20 DJED CC[C@H](Nc1nc(C(F)(F)F)ccc1C#N)c1ccc(C)cc1 462930298 QVKCLHSCNNKOMK-AWEZNQCLSA-N 319.330 4.844 30 20 DJED C=CCCCC(=O)N1CCC(c2cccc3ccccc23)CC1 479573898 KNYNGYUQAGSDNA-UHFFFAOYSA-N 307.437 4.902 30 20 DJED C[C@H](Nc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(C#N)cc1 480710090 KVXQPMUQLUKGFA-ZDUSSCGKSA-N 322.799 4.570 30 20 DJED C[C@H](NCCCCC#N)c1ccc(-c2ccc(F)cc2)s1 482452257 APRTYJBMZLWRLV-ZDUSSCGKSA-N 302.418 4.899 30 20 DJED C=CC[C@@H](C)NC(=O)c1cccc(F)c1Sc1ccccc1 512057499 NCJXQMFWWVAVHO-CYBMUJFWSA-N 315.413 4.671 30 20 DJED CC(C)(C)N(Cc1ccc(F)cc1)Cc1cc(C#N)cs1 513028160 WETIUCUEPVJLKJ-UHFFFAOYSA-N 302.418 4.560 30 20 DJED CC(=O)c1c(C)cc(C)c(CSc2ccccc2C#N)c1C 525086208 ZVBCIPVINHVMFN-UHFFFAOYSA-N 309.434 4.978 30 20 DJED Cc1ccccc1-c1cnc(COc2cc(Cl)ccc2C#N)o1 536020418 DPRYBWGBQBKQKH-UHFFFAOYSA-N 324.767 4.754 30 20 DJED C=C[C@@](C)(CC)c1nc(-c2ccc(Oc3cccnc3)cc2)no1 565897531 NOXIQACGHQWREC-IBGZPJMESA-N 321.380 4.778 30 20 DJED Cc1nsc(Nc2ccc(COC3CCCC3)cc2)c1C#N 574599405 MEHWHGKABOHBLH-UHFFFAOYSA-N 313.426 4.526 30 20 DJED C[C@@H](NC(=O)CCCCCC#N)c1cc(Cl)ccc1Cl 588154824 UQBZYGXCIQGYLW-LLVKDONJSA-N 313.228 4.645 30 20 DJED CCC[C@@H](Nc1ccc(C#N)cn1)c1cccc(C(F)(F)F)c1 608856095 HBEJFHDMGHYJGJ-OAHLLOKOSA-N 319.330 4.925 30 20 DJED CC(C)CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609064324 OTHBDVGTMNZQFL-UHFFFAOYSA-N 322.408 4.512 30 20 DJED CN(C)c1ccc(/C=C/C(=O)c2cc3ccccc3o2)cc1F 727653683 WNWAFCPOJMCMBI-CSKARUKUSA-N 309.340 4.534 30 20 DJED C#Cc1cccc(N(C(=S)Nc2ccccc2CC)C(C)C)c1 728226322 BCPPFQNRCHUGEK-UHFFFAOYSA-N 322.477 4.842 30 20 DJED CC(C)=C[C@@H]1[C@H](C(=O)[C@H](C#N)c2nc(C(C)C)cs2)C1(C)C 747196195 IXBLDMFSCHKGES-GZBFAFLISA-N 316.470 4.681 30 20 DJED C[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)c2c(O)ccc(F)c21 756767956 HLCKTSLFAVTNRK-COXVUDFISA-N 324.399 4.714 30 20 DJED O=C(/C=C\c1nc2ccc(F)cc2s1)c1cc(F)cc(F)c1 761478372 FCMREWSSZAQVGR-ARJAWSKDSA-N 319.307 4.610 30 20 DJED C#CCCc1noc(-c2ccc(-c3ccc(F)cc3C)c(F)c2)n1 761998412 AOJJGFMZPYENCL-UHFFFAOYSA-N 324.330 4.556 30 20 DJED Cc1cc(C(=O)OCC(C)(C)C#N)sc1-c1ccc(F)cc1 781476084 NQTOCTBVAGSCNG-UHFFFAOYSA-N 317.385 4.569 30 20 DJED CC(=NNc1ccc(C(C)(C)C)cc1)c1cnn(C(C)C)c1C 787163514 VPUFRQWTPCERLK-UHFFFAOYSA-N 312.461 4.906 30 20 DJED Cc1ccc(C(=O)N(c2ccc(Cl)cc2)C(C)C)cc1C#N 799326806 HBPKZSXADNZAAD-UHFFFAOYSA-N 312.800 4.575 30 20 DJED CC(C)Oc1ccccc1[C@@H](C)Nc1nc(Cl)c(C#N)s1 804354513 XJJHCSKUNAQRAW-SNVBAGLBSA-N 321.833 4.628 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(OC(F)F)cc2)cc1C 810195641 AIJRAOHIIMPFMK-YCRREMRBSA-N 318.319 4.501 30 20 DJED CC(C)(C#N)[C@H]1CCCC1=NNc1ccccc1C(F)(F)F 814688940 PRDQNTJRYGLGQU-NSHDSACASA-N 309.335 4.823 30 20 DJED C=CCC(F)(F)C(=O)N1CCCCC[C@@H]1/C=C\c1ccccc1 815774296 UFTQXDQMDZQJFO-MUSGIIIZSA-N 319.395 4.682 30 20 DJED CC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cccc(C#N)c1 903023847 UJQKGOJPXFWSSF-RTWAWAEBSA-N 315.420 4.548 30 20 DJED COc1ccc(C(=O)/C=C\c2c(F)cccc2Cl)c(F)c1 916141135 BCPFASRVEKYFRM-FPLPWBNLSA-N 308.711 4.523 30 20 DJED Cc1ccc2ncc(CSc3nc(C)cc(C)c3C#N)cc2c1 1164515252 LULQQGJUDFAPPT-UHFFFAOYSA-N 319.433 4.719 30 20 DJED CC(C)(C#N)c1ccccc1CN1CC2(CCC2)c2ccccc21 1193354643 CQDASSGQCZNWCD-UHFFFAOYSA-N 316.448 4.930 30 20 DJED COc1ccc(C#N)cc1NCc1ccc(-c2ccccc2F)o1 1202715630 MDDABPKFNGUNNX-UHFFFAOYSA-N 322.339 4.578 30 20 DJED CC[C@@H](OC(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1F 1267527081 PCGAFPAPIIMAQL-MRXNPFEDSA-N 317.747 4.659 30 20 DJED Cc1nc(N2CC[C@H](C(C)(C)C)C[C@H]2C)c(Cl)cc1C#N 1307133795 XWUXHMKKMHHARN-RISCZKNCSA-N 305.853 4.566 30 20 DJED C=CCC[C@H](NCc1ocnc1C)c1ccc(C(F)(F)F)cc1 1338250169 LKONFQIOHSKLGX-HNNXBMFYSA-N 324.346 4.799 30 20 DJED CC[C@H](C#N)[C@H](OC(=O)[C@@H](C)c1ccsc1)c1cccs1 1345103547 KDIIHUQXYUUPGF-ZOWXZIJZSA-N 319.451 4.747 30 20 DJED COc1ccc(CN(CCC#N)CCC(C)C)cc1C(C)(C)C 1474339980 SVYPCJOWDDIMJL-UHFFFAOYSA-N 316.489 4.754 30 20 DJED CCN(Cc1cccc2ccoc12)[C@@H](C)c1ccc(C#N)cc1 1474370545 WIMCVNPGWKVNGO-HNNXBMFYSA-N 304.393 4.888 30 20 DJED CN(Cc1cccc(C#N)c1)[C@@H]1CC[C@@](C)(c2ccccc2)C1 1474401417 NHLPFWLZJSBTID-NHCUHLMSSA-N 304.437 4.500 30 20 DJED C=C(CNC(=O)c1ccc(C)c(Cl)c1Cl)c1ccccc1 1527586017 UYLJSZMHFOSELB-UHFFFAOYSA-N 320.219 4.745 30 20 DJED Cc1cc(C#N)ccc1CN1CCCCC[C@@H]1c1ccccc1 1615363392 OYOAMQHOJLZLQQ-OAQYLSRUSA-N 304.437 4.984 30 20 DJED C[C@H](CC(C)(C)C#N)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 1621386907 QJDNHGXTOIREQU-KMFMINBZSA-N 304.865 4.894 30 20 DJED Cc1ccc(CNc2ncccc2C#N)c(O[C@@H](C)CC(C)C)c1 1639646064 GJAJQFIETAKNDR-INIZCTEOSA-N 323.440 4.687 30 20 DJED CCCC[C@H](C)N(CCCC)C(=O)c1cc(F)c(C#N)c(F)c1 1641278513 XWNOOBTYTDWBPM-ZDUSSCGKSA-N 322.399 4.657 30 20 DJED CC[C@H]1CCCC[C@@H]1N(C)c1ccc(C#N)c(Br)c1 1655259331 ZQOHEHYKCMFWIX-LRDDRELGSA-N 321.262 4.726 30 20 DJED CSc1ccc(COc2c(C)cc(Cl)cc2C#N)cc1 1656655161 ZGCZHCIPOLCJNE-UHFFFAOYSA-N 303.814 4.821 30 20 DJED N#Cc1ccc(CCN[C@H]2CCC[C@H]2c2ccccc2Cl)cc1 1659646558 YXYIDVANMSMZIB-ICSRJNTNSA-N 324.855 4.680 30 20 DJED CCC1(CC)CCCN(C(=O)Nc2cc(F)cc(C#N)c2)CC1 1672409817 COAHPKNOFFJCTG-UHFFFAOYSA-N 317.408 4.522 30 20 DJED Cc1c(C(=O)/C=C/c2ccccc2[N+](=O)[O-])oc2ccccc12 26763356 OJLLUBKKXBLOMG-ZHACJKMWSA-N 307.305 4.546 30 20 DJED CCC[C@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N 27092178 CAKYRMDBVYRHRA-AWEZNQCLSA-N 324.449 4.628 30 20 DJED C[C@H](Nc1ccnc2cc(Cl)ccc12)c1ccc(C#N)cc1 29587398 SSFUXRVPGBXSNX-LBPRGKRZSA-N 307.784 4.933 30 20 DJED O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)c1cccnc1 96939519 UQVRKZLZACJKFO-CLFYSBASSA-N 309.365 4.845 30 20 DJED CCN(C[C@H](C)C#N)C(=O)c1oc2c(ccc3ccccc32)c1C 131638010 ALYYGXMHILGXDL-CYBMUJFWSA-N 320.392 4.516 30 20 DJED Cc1ccc2oc(C(=O)N[C@H](CCC#N)c3ccccc3)cc2c1 153505472 JCSPWPBMHLAQIE-QGZVFWFLSA-N 318.376 4.516 30 20 DJED Cc1c(CSC(C)C)cccc1NC(=O)c1cccc(C#N)c1 173365271 GNQMRZNDJICZPZ-UHFFFAOYSA-N 324.449 4.761 30 20 DJED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](C)CC1CCCCC1 182160530 NIUYCKMGEKQBFT-CABCVRRESA-N 314.429 4.522 30 20 DJED C=CCC[C@@H](C(=O)Nc1cccc(COC)c1)c1ccccc1 186583872 DVBMGZCJJPWCBC-LJQANCHMSA-N 309.409 4.522 30 20 DJED C=CC[C@@H](C(=O)Nc1cc(C)c(O)c(C)c1C)c1ccccc1 188274871 YHUAZJOJOLOJCV-QGZVFWFLSA-N 309.409 4.616 30 20 DJED C=C[C@](C)(CC)C(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C 189087661 GFMQBWDUTSCRMK-CXAGYDPISA-N 308.491 4.697 30 20 DJED N#Cc1ccccc1CN[C@@H](c1ccccc1)c1ccc(F)cc1 193489513 VSZFFIWIKXUJIJ-NRFANRHFSA-N 316.379 4.577 30 20 DJED COc1ccc([C@@H]2CCCN2c2ccc(Cl)cc2C#N)cc1 301151992 KUHADMSKQAPUEK-KRWDZBQOSA-N 312.800 4.562 30 20 DJED C[C@H](N[C@H](C)c1ccc2c(c1)CCCC2)c1cccc(C#N)c1 320008848 DWUJDTZCOCKPHT-JKSUJKDBSA-N 304.437 4.849 30 20 DJED C[C@@H](NCc1ccc(C2CCC2)cc1)c1ccc(C#N)c(F)c1 426026792 CPUXTRUPXYKEPB-CQSZACIVSA-N 308.400 4.816 30 20 DJED C=CCC(C)(C)C(=O)N(C)Cc1c(Cl)cccc1Cl 429834539 ZSZZWZWOVJCCAQ-UHFFFAOYSA-N 300.229 4.554 30 20 DJED C=CC(C)(C)C(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 450139485 KLJQBFZTOUONDN-UHFFFAOYSA-N 323.358 4.533 30 20 DJED C=CCCN(C)C(=O)Nc1cc(C)ccc1Oc1ccccc1 466584328 JTCSABXVGGGWMQ-UHFFFAOYSA-N 310.397 4.827 30 20 DJED C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1cc2cccc(OCC)c2o1 467264400 NCWBFNBNSKVMME-DJJJIMSYSA-N 315.413 4.611 30 20 DJED CCCC(C#N)(CCC)NC(=O)c1coc2cc(C)c(C)cc12 472294918 JCGCVRXZKXIEHY-UHFFFAOYSA-N 312.413 4.642 30 20 DJED CC(C)c1ccccc1NC(=O)C[C@H](CC#N)c1ccccc1 474599721 SERBKMAJFUCNFL-KRWDZBQOSA-N 306.409 4.836 30 20 DJED C=CCCCC(=O)Nc1ccc(-c2nc3ccccc3s2)cn1 481770910 ZHZFSBFWISYGPD-UHFFFAOYSA-N 323.421 4.653 30 20 DJED CC(C)(C)CCC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 505330864 MUORESUTCBMBAM-GFCCVEGCSA-N 313.228 4.501 30 20 DJED CC(C)(CCC#N)CN1Cc2ccccc2[C@H](c2ccccc2)C1 506327918 XFVGPNTVMOQUSV-NRFANRHFSA-N 318.464 4.964 30 20 DJED CC[C@@H](CN(CC)C(=O)c1cccc(C#N)c1C)c1ccccc1 509331205 KUHSMDRGLOSSJT-KRWDZBQOSA-N 320.436 4.523 30 20 DJED C=CCC[C@H](NC(=O)N1CC2(CCCCC2)C1)c1ccccc1 514892986 AEAWOAHHEFREAB-SFHVURJKSA-N 312.457 4.670 30 20 DJED C=C(C)CCNc1ccc(C(=O)NC(C)(C)CC)c(Cl)c1 515169253 AFYUVRMXTBUPPM-UHFFFAOYSA-N 308.853 4.637 30 20 DJED C[C@@H](SCc1ccc(C(F)(F)F)cn1)c1ccc(C#N)cc1 520261303 ZIGYQWLTAADQCF-LLVKDONJSA-N 322.355 4.966 30 20 DJED CC[C@@H](C)Oc1cc(C)ccc1CN[C@@H](C)c1ccc(C#N)cc1 539497508 XWWDDKGXJAFGIM-SJORKVTESA-N 322.452 4.895 30 20 DJED COc1ccccc1[C@@H](C)SCCCC1(C#N)CCOCC1 540808111 ZDGDSBAFASLUFA-OAHLLOKOSA-N 319.470 4.590 30 20 DJED C=C[C@@H](CC(=O)N(C)Cc1cccc(C)c1C)c1ccccc1 552651878 KZYNPDXTRKTDSS-SFHVURJKSA-N 307.437 4.622 30 20 DJED Cc1ccc([C@@H](c2noc(-c3cc(C#N)oc3C)n2)C(C)C)cc1 571565564 IYTOKQMVRGXESM-KRWDZBQOSA-N 321.380 4.606 30 20 DJED C[C@@H]1CCC[C@@H](C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 610167946 FJALHNQJUNCHIZ-CHWSQXEVSA-N 316.470 4.653 30 20 DJED C=C(CN[C@H](C)c1ccc(SC)c(OC)c1)c1ccccc1 675782263 PLLSOJUOWPJJEU-OAHLLOKOSA-N 313.466 4.781 30 20 DJED C=C[C@@H](CC(=O)N1CC(C)(C)[C@H]1c1ccccc1)c1ccccc1 677523273 DWFIRASUBPKPNI-LAUBAEHRSA-N 319.448 4.956 30 20 DJED C#Cc1cccc(N(C(=O)c2ccc(C(C)C)cc2)C(C)C)c1 728248538 WIECTCMMSCTCPQ-UHFFFAOYSA-N 305.421 4.847 30 20 DJED CC(Cc1ccsc1)=NNc1ccc(Br)cc1 729635067 AGEBRZMSJCJZCE-UHFFFAOYSA-N 309.232 4.541 30 20 DJED C=CCN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(C)C 730474231 RGRCTYBNNMAAKF-KGLIPLIRSA-N 312.240 4.520 30 20 DJED C#Cc1cccc(NC(=O)N[C@@H](CC)c2ccc(Cl)s2)c1 734060610 XULIGIQXTIPEJP-ZDUSSCGKSA-N 318.829 4.656 30 20 DJED C#Cc1cccc(N(C(=O)[C@@H](C)c2cccc(C)c2)C(C)C)c1 739551492 JLXVJTJDWDCLKC-KRWDZBQOSA-N 305.421 4.521 30 20 DJED CCCCC[C@H](C)CC(=O)N[C@@H](CCC#N)c1ccccc1 749044800 DRSFTNQLIRBXTE-WMZOPIPTSA-N 300.446 4.754 30 20 DJED Oc1ccc(-c2ccccc2)cc1C=NOCc1ccccc1 749443538 HCBLWYBQTPZYHJ-UHFFFAOYSA-N 303.361 4.610 30 20 DJED CCOc1ccccc1/C=C/C(=O)c1c[nH]c2cc(F)ccc12 749452757 NMBGAFCBPAHZKC-JXMROGBWSA-N 309.340 4.602 30 20 DJED C=CCC[C@@H](NC(=O)Nc1ccc(N(C)C)cc1)c1ccccc1 772413713 QLZMRFZQQIFHAI-LJQANCHMSA-N 323.440 4.582 30 20 DJED CC[C@H](Nc1ccc(Cl)cc1OC)c1ccc(C#N)cc1 774354528 BSZBPAROSMAWRF-HNNXBMFYSA-N 300.789 4.783 30 20 DJED CC(=C/c1cccc([N+](=O)[O-])c1)/C=C/C(=O)c1ccc(F)cc1 787168049 HYYSVAAJWNSLNI-IKZKYDKCSA-N 311.312 4.576 30 20 DJED C=CCCCCCCCNC(=O)N(C)C1CCC(F)(F)CC1 812495107 KFUFOBYRKTUIQI-UHFFFAOYSA-N 316.436 4.732 30 20 DJED C=CCC(F)(F)C(=O)Nc1ccc(NC2CCCCC2)cc1 815171571 CNGCLYDMMUITSP-UHFFFAOYSA-N 308.372 4.581 30 20 DJED C[C@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)C1CCC1 838790508 HRLCGUZGASVBRW-JOYOIKCWSA-N 318.829 4.562 30 20 DJED C=CC[C@H](c1ccccc1)c1nc(-c2ccc(F)c(F)c2)no1 904368601 GTLMHHJRGAQRTE-CQSZACIVSA-N 312.319 4.723 30 20 DJED C/C(=C/C(=O)[C@@H](C#N)c1ccc2ccccc2n1)c1ccccc1 917422681 JEMMICVYYZTHGG-OJSRQPNCSA-N 312.372 4.515 30 20 DJED N#CC1(C(=O)Oc2ccc(-c3ccccc3)cc2)CCCCC1 920018846 PBQMOXORLYFWAM-UHFFFAOYSA-N 305.377 4.733 30 20 DJED COc1c(Cl)cc(Cl)cc1C=NNc1ccc(C)cc1 921252969 HQDCXVLOJHLTAA-UHFFFAOYSA-N 309.196 4.756 30 20 DJED CC(C)(CC(=O)OCc1ccc(CC#N)cc1)C1CCCCC1 1127560021 YQLZNDVKSUGADL-UHFFFAOYSA-N 313.441 4.792 30 20 DJED CN(c1ccc(Nc2ccc(C#N)cn2)cc1F)C1CCCCC1 1162398912 SGXMSLXUEQMABL-UHFFFAOYSA-N 324.403 4.605 30 20 DJED CC1(C)C[C@H](Nc2nc(C#N)c(Cl)s2)c2ccccc21 1162781692 VQOGUPNHLAUBPW-NSHDSACASA-N 303.818 4.503 30 20 DJED N#Cc1cccc(N[C@H]2CCC[C@H](c3cccc(Cl)c3)C2)n1 1163489028 QXBVBAZIFQXVJD-HOCLYGCPSA-N 311.816 4.745 30 20 DJED C=C(Cl)CNC(=O)N[C@H](c1ccc(CC(C)C)cc1)C(C)C 1221025382 ZCKOZSNEQLCIAI-KRWDZBQOSA-N 322.880 4.634 30 20 DJED CSc1ccccc1C(=O)/C=C/c1ccc2cnccc2c1 1322614715 MWOPENDVQIDMNG-VQHVLOKHSA-N 305.402 4.853 30 20 DJED C=C(C)C(C)(C)c1nnc(COc2ccc3ccccc3c2)o1 1327026761 PVKWHRVBUUSYSV-UHFFFAOYSA-N 308.381 4.656 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2Nc1nc2ccc(F)cc2s1 1458438115 PHPQLTCFSQAVHP-OAHLLOKOSA-N 323.396 4.797 30 20 DJED CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1cc(C(C)(C)C)sc1C#N 1520663527 KIXKUXJQEYSOCX-NWDGAFQWSA-N 318.486 4.928 30 20 DJED N#Cc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)ccc1F 1524560019 MWTZJFUMOMRUQD-UHFFFAOYSA-N 316.335 4.617 30 20 DJED CC[C@H](C)c1ccc([C@@H](NC(=O)c2ccc(C#N)o2)C(C)C)cc1 1531422336 NUGRVNXQVVXKQT-LIRRHRJNSA-N 324.424 4.792 30 20 DJED C[C@H]1CCC(C)(C)N1Cc1ccc(-c2ccccc2C#N)cc1 1559903770 LMFBKDWWGJEOPS-INIZCTEOSA-N 304.437 4.988 30 20 DJED N#Cc1cccc2c1CCN2Cc1ccc(-c2cccs2)cc1 1559927082 GXOZFWILEGBTSL-UHFFFAOYSA-N 316.429 4.849 30 20 DJED CC(C)c1cc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c2ccccc2n1 1584703782 YDDLQIMXLIOYLU-HUUCEWRRSA-N 322.408 4.597 30 20 DJED C=C(CNC(=O)Nc1cccc(C2CCC2)c1)c1ccccc1 1625263067 GSDKVZPXGQUUAL-UHFFFAOYSA-N 306.409 4.789 30 20 DJED C=C(CNCc1cc(Cl)ccc1OCC)c1ccccc1 1656350419 AVZCACYUUGJYHX-UHFFFAOYSA-N 301.817 4.542 30 20 DJED Cc1c(C#N)cccc1NC(=O)NCC1(CC(C)C)CCCC1 1675321212 VCWCUIDPCGELAZ-UHFFFAOYSA-N 313.445 4.595 30 20 DJED C[C@H]1C[C@H](C(=O)O)CCC1=Nn1c2ccccc2c2ccccc21 1776113119 XZFBEDPRIFEQDV-UONOGXRCSA-N 320.392 4.519 30 20 DJED CCc1cccc(CC)c1NC(=O)N(CCC#N)CCC(C)C 78458154 UXGVFGBSCRDICG-UHFFFAOYSA-N 315.461 4.605 30 20 DJED N#CCC[C@@H](NC(=O)c1ccc2ccccc2c1)c1ccccc1 153667687 BTZYIASHDSUEFT-HXUWFJFHSA-N 314.388 4.615 30 20 DJED C[C@H](N[C@H](C)c1nc(C(C)(C)C)cs1)c1cccc(C#N)c1 181719189 IAMBDGQJGLUKCB-QWHCGFSZSA-N 313.470 4.724 30 20 DJED C=CCC1(C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)CCC1 188653762 OYKVJYGAIQWVEE-INIZCTEOSA-N 320.436 4.672 30 20 DJED C[C@@H](Nc1nc(C(F)F)nc2ccccc12)c1cccc(C#N)c1 301456258 SEHJPCMEYPQYIO-LLVKDONJSA-N 324.334 4.612 30 20 DJED C[C@H](NC1CC(c2ccc(Cl)cc2)C1)c1ccc(C#N)cc1 315411617 HKAMMLPPETVURG-LJSZUPLFSA-N 310.828 4.808 30 20 DJED CO[C@@H](CSCCCCC(C)(C)C#N)Cc1ccccc1 419533061 NYEKNHCNQINEIF-QGZVFWFLSA-N 305.487 4.697 30 20 DJED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(Cl)c(Cl)c1 435666616 ABTSGEFLDOOEPW-FFSVYQOJSA-N 314.256 4.625 30 20 DJED Cc1cccc(Oc2ccccc2CN[C@H]2CC[C@@H](C#N)C2)c1 442776128 BLGAOHHARIFZMD-AEFFLSMTSA-N 306.409 4.569 30 20 DJED C[C@H](N[C@H](C)c1cc2ccccc2o1)c1ccc(C#N)c(F)c1 443215998 BAISLWRYIRIRRG-QWHCGFSZSA-N 308.356 4.855 30 20 DJED CCc1nc2cc(N[C@H](CC)c3ccc(C#N)cc3)ccc2o1 447576387 YFHHOVJMJHXUPL-MRXNPFEDSA-N 305.381 4.825 30 20 DJED CC(C)(C#N)CCCN[C@@H](c1ccc(F)c(Cl)c1)C1CC1 451356700 RWTUHOMRBYQNEU-MRXNPFEDSA-N 308.828 4.850 30 20 DJED CC(C)C[C@H](NC(=O)[C@H](C)c1cccc(C#N)c1)c1ccccc1 461740047 ISYSDGJHIZZKKD-UZLBHIALSA-N 320.436 4.565 30 20 DJED COc1ccccc1[C@H](C)SCc1ccc(C#N)cc1F 463206912 QTXUHWZCECEANA-LBPRGKRZSA-N 301.386 4.700 30 20 DJED C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1cc(F)c(Cl)cc1Cl 463298074 UJIAGSUCRZEFDF-HBNTYKKESA-N 315.219 4.865 30 20 DJED Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C 477965187 LSSCNTBJTJELSW-XJKSGUPXSA-N 313.445 4.545 30 20 DJED C=CCOc1ccccc1CN[C@@H]1CCCOc2cc(C)ccc21 482888170 JVPKZFXXBMCXHK-LJQANCHMSA-N 323.436 4.563 30 20 DJED C=CCN(Cc1cc(-c2ccco2)on1)CC1CCCCC1 484570163 QWEZNLDBBXYXTC-UHFFFAOYSA-N 300.402 4.503 30 20 DJED CCN(Cc1c(F)cccc1Cl)[C@@H](C)c1ccc(C#N)cc1 497593983 NLJBMDSOJSVGKS-ZDUSSCGKSA-N 316.807 4.934 30 20 DJED C[C@H](c1cc2ccccc2o1)N(C)Cc1cccc(C#N)c1F 512449688 KDBJUNGCZBUTJH-CYBMUJFWSA-N 308.356 4.637 30 20 DJED C=CCCCCCN(C)C(=O)c1ccc(Cl)cc1Cl 523511114 VALIFKNEATUTRK-UHFFFAOYSA-N 300.229 4.812 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)cc1 525068130 YSHVXMNOCDKMRR-ZWKOTPCHSA-N 310.441 4.643 30 20 DJED N#Cc1ccccc1SCc1ccc(OC(F)(F)F)cc1 525598608 WCTNLEVCVMQIMG-UHFFFAOYSA-N 309.312 4.749 30 20 DJED C=CCOc1ccc(CN(CCC(F)(F)F)C(C)(C)C)cc1 536141926 YBLHSAAXVAYLNU-UHFFFAOYSA-N 315.379 4.804 30 20 DJED CC(=O)c1ccc2cc(OCc3ccc(CC#N)cc3)ccc2c1 541291257 RBYSCADNPJSUBI-UHFFFAOYSA-N 315.372 4.687 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCCc1ccc(C#N)cc1 594704403 BVMUGMDDVQBLBF-HNNXBMFYSA-N 321.449 4.607 30 20 DJED CC[C@H](c1ccc(Br)cc1)N1CCC[C@H](CC#N)C1 595615766 STCPUFJIQNDHKL-CZUORRHYSA-N 321.262 4.526 30 20 DJED CC(C)c1cccc(NC(=O)c2cc3ccccc3n2CC#N)c1 609160216 PMKZTCRLVXETEW-UHFFFAOYSA-N 317.392 4.541 30 20 DJED Cc1sc(NC(=O)[C@@H](C)c2cccc(Cl)c2)c(C#N)c1C 610220564 INDDUCNGPGKAFZ-JTQLQIEISA-N 318.829 4.632 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@@H](C)c1ccco1 623491718 AEBQTZCQPJBRSD-GFCCVEGCSA-N 323.845 4.703 30 20 DJED C#Cc1cccc(N(C)C(=O)c2sc3cccc(F)c3c2C)c1 728482042 DDDOGIIDXZXBNN-UHFFFAOYSA-N 323.392 4.607 30 20 DJED CC(Cc1cccs1)=NNc1ccnc2cc(Cl)ccc12 729633436 NNBSCGOBFZOXQP-UHFFFAOYSA-N 315.829 4.980 30 20 DJED C#Cc1cccc(NC(=O)N[C@@H](C)c2csc3ccccc23)c1 730060875 IZRIYXBCQRSNHD-ZDUSSCGKSA-N 320.417 4.765 30 20 DJED O=C1/C(=C/c2cccc(OC(F)F)c2)Cc2cc(Cl)ccc21 742437732 QMNJDLHYTRWLFT-WUXMJOGZSA-N 320.722 4.764 30 20 DJED CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2cccc(C)c2)c1 743476000 APQISZUXAOLPMV-VQIMIIECSA-N 308.425 4.527 30 20 DJED N#CC1(CN[C@H]2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 754476613 NHAUNKLJOKBSCU-CVEARBPZSA-N 322.374 4.625 30 20 DJED Cc1ccc2c(CC(=O)OCCCCC(C)(C)C#N)coc2c1 768396001 KWRNFBSNAUIBKF-UHFFFAOYSA-N 313.397 4.547 30 20 DJED CCCC(=CC(=O)[C@H](C#N)c1ccc2ccccc2n1)CCC 771258352 GBTFFWYZTJSGIT-QGZVFWFLSA-N 306.409 4.938 30 20 DJED CC(CCCC(F)(F)F)=NNc1ccc(OC(F)F)cc1 774385394 OKOGYBIZSAUFFR-UHFFFAOYSA-N 310.266 4.808 30 20 DJED CCCCCCCCC(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C 780279165 YKNDUIDGIVTMNM-UONOGXRCSA-N 307.400 4.926 30 20 DJED Cc1cc(/C=C2/CCc3cc(C#N)ccc3C2=O)cc2cccnc12 783711009 QNKQWFHUKQDMPF-UNOMPAQXSA-N 324.383 4.627 30 20 DJED CC[C@@H](C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 791773178 JJBCFRYQVTZCLU-IUODEOHRSA-N 312.438 4.731 30 20 DJED C=CCCCCCCNC(=O)c1cnc(C)c(Cl)c1Cl 805218005 PEBDILRHOXEHDG-UHFFFAOYSA-N 315.244 4.563 30 20 DJED C[C@@H]1/C(=C/c2cn(C)nc2-c2cccs2)C(=O)c2ccccc21 809157354 SGXACTBOTLWXOK-KPENOIPVSA-N 320.417 4.532 30 20 DJED C#Cc1ccc(CN[C@@H](c2ccccc2)c2cccc(F)c2)cc1 809628952 XJELWBPYEQKNBO-QFIPXVFZSA-N 315.391 4.686 30 20 DJED O=C1/C(=C\c2c(Cl)cccc2Cl)Cc2c(O)cccc21 810249315 UOSVNJCQOOCFHI-HJWRWDBZSA-N 305.160 4.521 30 20 DJED COCc1ccccc1/C=C(C)/C=C/C(=O)c1cccc(F)c1 814186713 NPAFJDRHOGNWOQ-GCHFJXRNSA-N 310.368 4.815 30 20 DJED COCc1ccccc1/C=C(C)/C=C/C(=O)c1ccc(OC)cc1 814187617 OEVITZRYUAIIPI-LZKYXZFFSA-N 322.404 4.684 30 20 DJED CCCCCCCCC(=O)N1CC(C)(C)[C@H]1c1ccncc1 817176796 VDHRNNCHQMGZRJ-GOSISDBHSA-N 302.462 4.742 30 20 DJED Cc1csc([C@@H](C#N)C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)n1 835035787 IEHVTMAIBATZRH-ZACQAIPSSA-N 324.449 4.602 30 20 DJED C=C1CCC(C(=O)Nc2ccccc2Oc2ccccn2)CC1 885667289 CZGMMOWMBYTKQO-UHFFFAOYSA-N 308.381 4.559 30 20 DJED CC(=NNc1ncccc1C(F)(F)F)c1ccccc1Cl 915051544 ZAFMZWFJTGUCDV-UHFFFAOYSA-N 313.710 4.590 30 20 DJED CCN(CC)c1ccc(/C=C\C(=O)c2cc(F)ccc2F)cc1 916133394 LEQPSQNGGYYJDI-GHXNOFRVSA-N 315.363 4.707 30 20 DJED CCCCCCCCCNC(=O)N1CCC[C@@H]1c1cc(C)on1 916194371 WRYVCFFAZUUITC-QGZVFWFLSA-N 321.465 4.580 30 20 DJED CC(=NNc1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 916245176 YOMOPWUIBZLKJT-UHFFFAOYSA-N 313.401 4.599 30 20 DJED C/C(=C\C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1CC1 917668819 HHDPCZMUWKNUKX-GUCAUAJOSA-N 316.404 4.637 30 20 DJED CC(C)[C@H](C(=O)Nc1ccc(C#N)cc1)c1cccc(Cl)c1 1124406811 ZLEAVUZZUFWPMW-KRWDZBQOSA-N 312.800 4.590 30 20 DJED C[C@H](OC(=O)CC(C)(C)c1ccccc1)c1cccc(C#N)c1 1127090832 UVXIQNYGEYXNKA-HNNXBMFYSA-N 307.393 4.530 30 20 DJED C=C(CNC(=O)c1cc(CC)c(CCC)s1)c1ccccc1 1129475878 PNBWAFLVYMAGKH-UHFFFAOYSA-N 313.466 4.706 30 20 DJED C[C@@H](NCc1ccc(F)cc1C#N)C1(c2ccccc2)CCCC1 1169382622 LEDDDZLUTBGIOB-MRXNPFEDSA-N 322.427 4.687 30 20 DJED CCCCN(Cc1ccc(C#N)cc1C)Cc1ccccc1F 1190751802 FYOJICNHCXGYSI-UHFFFAOYSA-N 310.416 4.808 30 20 DJED Cc1ccc(C)c2c1OC/C(=C/c1nccc3ccccc13)C2=O 1318782437 JHSIMFSPJCBBAA-WJDWOHSUSA-N 315.372 4.510 30 20 DJED C[C@H](SCc1cn2ccccc2c1C#N)c1ccccc1F 1472983745 WWXSIYMWIPFBKN-ZDUSSCGKSA-N 310.397 4.944 30 20 DJED N#Cc1cc(F)cc(NC2CC(c3ccc(Cl)cc3)C2)c1 1474666664 QQMDPEKSKSHGFD-UHFFFAOYSA-N 300.764 4.709 30 20 DJED CC[C@H](CC(=O)O[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 1515135181 BKJRQECCWGSXDP-DOTOQJQBSA-N 307.393 4.746 30 20 DJED CC[C@H](C)Oc1cccc(NC(=O)CC2(C#N)CCCCC2)c1 1523597131 NEWYCDOCOGUDGU-HNNXBMFYSA-N 314.429 4.667 30 20 DJED C[C@H]1CC(C)(C)c2cccc(NC(=O)c3sccc3C#N)c21 1535683413 YWXKVKWYAPDHIU-NSHDSACASA-N 310.422 4.657 30 20 DJED Cc1ccccc1-n1ccnc1S[C@@H](C#N)C1CCCCC1 1559343438 SZEFOJHXUDWFGK-KRWDZBQOSA-N 311.454 4.745 30 20 DJED C=C(Br)CN1CCCCC[C@@H]1/C=C\c1ccccc1 1616321347 AYPSBCSWFBPCCK-WFTPILKQSA-N 320.274 4.853 30 20 DJED CC[C@@H]1CCCC[C@@H]1C(=O)N(c1ccccc1C#N)C1CCC1 1617593627 AMSRNAJLMPHLEI-QAPCUYQASA-N 310.441 4.660 30 20 DJED COc1ccc(CNC2CCC3(CCCCC3)CC2)cc1C#N 1620902784 SHURPFDUQWZOQR-UHFFFAOYSA-N 312.457 4.550 30 20 DJED N#Cc1cnc(Oc2ccc3c(c2)[nH]c2ccccc23)c(F)c1 1639143536 LOISDXHSMKHEPC-UHFFFAOYSA-N 303.296 4.519 30 20 DJED N#Cc1ccc2c(c1)CCCN2CC1CCC(C(F)(F)F)CC1 1645900900 NJVQXAISNWTKRV-UHFFFAOYSA-N 322.374 4.680 30 20 DJED Cc1cc(C)c2nc(N[C@@H](C)c3ccc(C#N)cc3)sc2c1 1651434293 SIWAFIMXUINSRJ-ZDUSSCGKSA-N 307.422 4.958 30 20 DJED N#Cc1cccc(CSc2nc3cccc(F)c3s2)c1 1652171464 YNWVWRIWXKGDNY-UHFFFAOYSA-N 300.383 4.599 30 20 DJED C=C(Cl)CN(Cc1ccccc1)[C@H]1CC(C)(C)OC1(C)C 1658044610 GTCBSFJKDIOJEO-INIZCTEOSA-N 307.865 4.587 30 20 DJED CC[C@H](NC1CC(C#N)(c2ccccc2)C1)c1cc(C)ccc1C 1659841971 YIJURYYBTRXADS-IRQNMHNUSA-N 318.464 4.968 30 20 DJED C[C@H](Nc1cccc(F)c1C#N)c1ccc(Br)cc1 26227130 KRTJHDHMGUXHRZ-JTQLQIEISA-N 319.177 4.633 30 20 DJED C[C@H](c1cc2ccccc2o1)N(C)Cc1ccc(C#N)cc1F 44089968 RPECLSXZDMRONS-CYBMUJFWSA-N 308.356 4.637 30 20 DJED Cc1ccc([C@@H](C)N[C@H](CCC#N)c2ccccc2)cc1[N+](=O)[O-] 90664806 BSAJBYLLUXFAGV-CRAIPNDOSA-N 323.396 4.599 30 20 DJED CC[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCO2 90664950 LOQQGWCBJUUJHL-WOJBJXKFSA-N 320.436 4.707 30 20 DJED Cn1c([C@H](C#N)C(=O)CCCC2CCCCC2)nc2ccccc21 122643157 WFCZJZDEQPLEDX-MRXNPFEDSA-N 323.440 4.500 30 20 DJED C=CC[C@@H](C(=O)Nc1cc(OC)ccc1Cl)c1ccccc1 187134651 VIVMJZLQUCLSSZ-OAHLLOKOSA-N 315.800 4.647 30 20 DJED C[C@H](Nc1ccc2ccccc2c1)c1ccc(OCC#N)cc1 192977049 FIVZSGZAQLNPFS-HNNXBMFYSA-N 302.377 4.915 30 20 DJED COc1cccc([C@@H](C)Nc2cccc(OCCCC#N)c2)c1 193905497 GWIVKGCVOBGXJD-OAHLLOKOSA-N 310.397 4.551 30 20 DJED N#Cc1cccc(CNCc2cccc(Oc3ccccc3)c2)c1 237847189 WGRBWWFATYTZQI-UHFFFAOYSA-N 314.388 4.640 30 20 DJED CCC(CC)c1cc(CN[C@@H](CC)c2ccc(C#N)cc2)on1 278896812 ZABTZPBMMQYMAR-SFHVURJKSA-N 311.429 4.691 30 20 DJED Cc1c([C@@H](C)Nc2ccc(Cl)c(C#N)n2)oc2ccccc12 301169200 IZEUACALLMIVLQ-LLVKDONJSA-N 311.772 4.834 30 20 DJED Cc1ccccc1[C@@H]1CCCN1c1ccc2cc(C#N)ccc2n1 301812161 HHUVKCHMMRHITH-FQEVSTJZSA-N 313.404 4.756 30 20 DJED C[C@H](Nc1ccc(C#N)cn1)c1ccc(Cl)c2ccccc12 302148231 AAUJPJSZIPMKQR-LBPRGKRZSA-N 307.784 4.933 30 20 DJED N#CCc1cccc(NCc2cc(Cl)ccc2OC(F)F)c1 313421547 CGZIFSHAODVQSV-UHFFFAOYSA-N 322.742 4.620 30 20 DJED Cc1noc(C)c1C[C@H](C)/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 329172163 KYFUMWUIEINGLY-OSMBCOQSSA-N 318.461 4.785 30 20 DJED N#C[C@H]1CC[C@@H](N[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)C1 424336280 XOAVVJHSYBXGSW-WBQNTZJQSA-N 322.374 4.623 30 20 DJED C=C(C)C(C)(C)C(=O)N1CC=C(c2c[nH]c3cc(C)ccc23)CC1 424595154 RAKFNDSWISALOU-UHFFFAOYSA-N 322.452 4.694 30 20 DJED C[C@H](SCc1nccn1-c1ccccc1)c1ccc(C#N)cc1 434630399 LDYFDABGOHNZCA-HNNXBMFYSA-N 319.433 4.738 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2cc(C)ccc2F)CCCC1(C)C 436111454 YZGBIAFQSJAYQE-INIZCTEOSA-N 304.409 4.733 30 20 DJED C=CC1CCN(C(=O)CCCc2csc3ccccc23)CC1 445803576 UDJMNYDJSHRXGO-UHFFFAOYSA-N 313.466 4.649 30 20 DJED CCC(CC)CN(CCC#N)C(=O)[C@H](C)c1cccc(Cl)c1 461119600 ZUYCEBAODHSYPV-CQSZACIVSA-N 320.864 4.622 30 20 DJED CC(C)[C@H](Cc1ccc(F)cc1)N[C@H](C)c1ccc(C#N)cc1 463904054 HHTPJKYQLUUJST-QRWLVFNGSA-N 310.416 4.615 30 20 DJED C=CCC(CC=C)C(=O)N(C)[C@H](c1ccc(F)cc1)C(C)C 468142945 BCUHFSHUKHBEDK-SFHVURJKSA-N 303.421 4.750 30 20 DJED CC(C)(C#N)CCCN1CCC(Cc2ccc(F)c(F)c2)CC1 469463169 RMDCGPYZCQSGTN-UHFFFAOYSA-N 320.427 4.549 30 20 DJED Cc1ccc([C@H](Nc2ccc(C#N)cc2F)c2ccccn2)cc1 480575745 JYKRLIFIEYLBOG-FQEVSTJZSA-N 317.367 4.602 30 20 DJED N#Cc1ccc(CN[C@@H](c2ccccc2)C2CCCC2)cc1F 484057094 NPIOASPOIYGVAD-FQEVSTJZSA-N 308.400 4.718 30 20 DJED C[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1cc2ccccc2s1 502073590 XOPHRZREBSWUJM-GFCCVEGCSA-N 321.405 4.656 30 20 DJED C=CCN(C(=O)c1ccc(OCCCC)cc1)c1ccccc1 515184090 DVJSMZQZJHIKAR-UHFFFAOYSA-N 309.409 4.698 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N[C@H](c1ccccc1)C1CCC1 531320426 BWBCIWSTNDGUFC-LJQANCHMSA-N 319.408 4.530 30 20 DJED C=C(C)[C@H](CC(=O)N(Cc1ccccc1)c1ccccc1)OCC 535882432 ICUNZKGSVNXXRD-FQEVSTJZSA-N 323.436 4.591 30 20 DJED C=CCCC[C@@H](C)NC(=O)N(C)[C@H](C)c1cccc(Cl)c1 538290304 PIZJZTPXBDPPMZ-ZIAGYGMSSA-N 308.853 4.787 30 20 DJED C=C[C@@H](CC(=O)N1CCC[C@H](c2ccccc2)C1)c1ccccc1 569521003 YVAPMPQBYJINAR-RXVVDRJESA-N 319.448 4.753 30 20 DJED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CC3CC3)c2C#N)C1 603564347 ABMFIXDJRWJHKF-LBPRGKRZSA-N 316.470 4.509 30 20 DJED C=CCCC(=O)N[C@@H](CC(C)C)c1cc(Cl)ccc1OC 606311395 ZQBYHAANDLVJCB-HNNXBMFYSA-N 309.837 4.518 30 20 DJED C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1 612036479 CAQUNNNSFDQQPH-FQEVSTJZSA-N 319.408 4.511 30 20 DJED N#CC1(CNCc2ccc(-c3cccc(Cl)c3Cl)o2)CC1 619535275 CCIGLURVTLOYTL-UHFFFAOYSA-N 321.207 4.647 30 20 DJED C=C(C)COc1cccc(NC(=S)N[C@H]2CCCC[C@@H]2C)c1 727283994 ALHYYHPESOZPNV-YOEHRIQHSA-N 318.486 4.507 30 20 DJED CC[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)C(C)C 730418654 YDBVHFMQWRSWKO-WCQYABFASA-N 318.417 4.684 30 20 DJED N#Cc1cccc(Oc2ccc(N=Cc3ccccc3O)cc2)c1 731318654 KEHKBSHENXYWGF-UHFFFAOYSA-N 314.344 4.807 30 20 DJED CCCCCC(=NNc1nccnc1Cl)c1ccccc1 733078582 GEINJXCXISYPFS-UHFFFAOYSA-N 302.809 4.527 30 20 DJED CCCCCC[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 741883855 TZBSFIUNDWNGGG-GFCCVEGCSA-N 304.459 4.653 30 20 DJED O=C(/C=C\c1cccc(F)c1)c1ccc(-c2ccncc2)cc1 745989956 IEERSGSASDAQQG-WTKPLQERSA-N 303.336 4.784 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc(Cl)nc2)c2ccccc12 748999350 RGVNXJIZCZOTBY-TWGQIWQCSA-N 323.779 4.793 30 20 DJED Cc1cc(F)ccc1/C=C/C(=O)c1cnn(-c2ccccc2)c1C 750905522 MIYIBCXAJWLWQR-PKNBQFBNSA-N 320.367 4.524 30 20 DJED C#CC[C@@H](N[C@H](C)c1ccccc1OC(F)F)c1ccccc1 773105551 HVGVCWGWMKOMSS-RHSMWYFYSA-N 315.363 4.703 30 20 DJED Cc1ccc2cccc(N[C@H](C)c3ccc(C#N)c(F)c3)c2n1 777626407 RZLHZYPNGDBZKB-CYBMUJFWSA-N 305.356 4.727 30 20 DJED Cn1cnc2cc(/C=C\C(=O)c3cc4ccccc4s3)ccc21 780187549 CYQKTMKYZGZPMC-CLFYSBASSA-N 318.401 4.684 30 20 DJED CC(=C/c1cccc([N+](=O)[O-])c1)/C=C/C(=O)c1sccc1C 787170210 TUWAFXVLLSFGPT-PBDTWZTKSA-N 313.378 4.807 30 20 DJED C=CCC(C)(C)C(=O)O[C@@H](C)c1nc2ccccc2n1C(F)F 796463028 JZZXBZVOPMEFQD-NSHDSACASA-N 322.355 4.638 30 20 DJED Cc1csc(NC(=O)c2ccc(-c3ccccc3)cc2)c1C#N 809006028 VYIMQKWAAQAAGL-UHFFFAOYSA-N 318.401 4.848 30 20 DJED CCCCc1ccc(C(=O)/C=C\c2cn(C)nc2C(F)F)cc1 812241516 JJDZERITNXHMAY-KHPPLWFESA-N 318.367 4.596 30 20 DJED CC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cc(F)ccc1OC 903371420 SKVULVMRCLYZIH-SCLBCKFNSA-N 312.388 4.508 30 20 DJED COc1cc(OC)c(C(=O)/C=C\c2cccc(C)c2)cc1Cl 916154684 SMANRIGXVDWBIH-FPLPWBNLSA-N 316.784 4.562 30 20 DJED CCOc1ccc(C(C)=NNc2ccc(C)cc2)cc1OCC 916250294 SJWCSEICJXBOGM-UHFFFAOYSA-N 312.413 4.629 30 20 DJED CC(=NNc1ccc(C(C)(C)C)nn1)c1cccc2ccccc12 1251931566 LPCXFQLTJDOIDF-UHFFFAOYSA-N 318.424 4.763 30 20 DJED CC(C)CN(Cc1cccc(Cl)c1)Cc1cccc(C#N)c1 1307957436 HVAUYVQAUUWZSB-UHFFFAOYSA-N 312.844 4.870 30 20 DJED N#Cc1ccc(CNCc2ccc(F)c3ccccc23)cc1Cl 1308384844 YVDNDTIYPYODOG-UHFFFAOYSA-N 324.786 4.794 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1ccc(-c2cccs2)s1 1337595051 KJIIYASTMDJWSE-UHFFFAOYSA-N 324.430 4.909 30 20 DJED O=C(/C=C\c1ncc(-c2ccccc2)[nH]1)c1ccc(Cl)cc1 1338794886 XADAEZDQQCBGNL-KHPPLWFESA-N 308.768 4.626 30 20 DJED CC[C@H](CC(C)C)C(=O)N(CC(C)C)c1ccc(C#N)cc1 1349945801 UUVLVVAEOBRORK-QGZVFWFLSA-N 300.446 4.620 30 20 DJED CCc1ccc([C@H](NC(=O)c2ccc(C)c(C#N)c2)C(C)C)cc1 1352988823 WUBWMHCPSKBJOK-HXUWFJFHSA-N 320.436 4.556 30 20 DJED CCC[C@H](C)C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@H](C)CC2 1436545314 CKLSIRSWOYAFDS-GRYCIOLGSA-N 304.459 4.680 30 20 DJED Cc1ccc2sc(Sc3ccc(Cl)c(C#N)n3)nc2c1 1458614391 BUNYTHGZEHLLNU-UHFFFAOYSA-N 317.826 4.676 30 20 DJED C[C@H]1CCCC[C@@H]1CC(=O)N(c1ccc(C#N)cc1)C1CCC1 1461768287 KSNXPXRMWPYKJE-DOTOQJQBSA-N 310.441 4.660 30 20 DJED CC[C@@H](CC(=O)O[C@@H](C)c1cccc(C#N)c1)c1ccccc1 1525564756 MUVXCDCNQCCRAD-RDJZCZTQSA-N 307.393 4.746 30 20 DJED C[C@@H](CCC1CCCCC1)NC(=O)[C@H](CC#N)c1ccccc1 1529376595 WUOMMDDJBFRPNV-QFBILLFUSA-N 312.457 4.549 30 20 DJED Cc1ccc(Nc2nccc(Oc3cccc(C#N)c3)n2)cc1C 1611728260 QWVZGMCQBBFYHJ-UHFFFAOYSA-N 316.364 4.501 30 20 DJED N#CCc1ccc(CN2CC3(CCCC3)[C@H]2c2ccccc2)cc1 1643332969 SXAOZPAOSSZQEB-OAQYLSRUSA-N 316.448 4.870 30 20 DJED Cc1c(Br)cccc1CN(CCC#N)CC(C)(C)C 1644669651 ROCNIHBOKZLTGI-UHFFFAOYSA-N 323.278 4.519 30 20 DJED Cc1cc(C)cc(C2=CCN(c3ccc(Cl)c(C#N)n3)CC2)c1 1650880979 HYZPMUKEWTZEBC-UHFFFAOYSA-N 323.827 4.517 30 20 DJED CCOc1c(Cl)cccc1CN(CCC#N)CC(C)(C)C 1651834205 PWKYPPXNDHJNOR-UHFFFAOYSA-N 308.853 4.500 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 1652648121 RNZPFHQFPWQQMF-WCZJQEMASA-N 302.849 4.648 30 20 DJED CC[C@@H](OCCN(C)[C@@H](C)c1cccc(C#N)c1)c1ccccc1 1653972377 CUZLPGWMDAFWCY-LAUBAEHRSA-N 322.452 4.719 30 20 DJED N#Cc1c(F)cccc1Nc1cccc(N2CCCCCC2)c1 1655157489 VOAZJUVTEBNZDI-UHFFFAOYSA-N 309.388 4.821 30 20 DJED C[C@H](CCc1ccc(Cl)s1)NCc1cc(C#N)ccc1F 1660009767 CULWFGJSCGXHNY-LLVKDONJSA-N 322.836 4.523 30 20 DJED N#Cc1ccc(CN[C@H]2CCC[C@@H]2c2ccccc2)cc1Cl 1664435789 VTUXHSANFRGSPI-MJGOQNOKSA-N 310.828 4.638 30 20 DJED CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(C#N)cc1Cl 1675376848 IOMIPAMSZWKYBA-JSGCOSHPSA-N 319.836 4.548 30 20 DJED O=C(O)c1ccc(NN=C2CCCC[C@@H](c3ccccc3)C2)cc1 1776013335 OOEMZXJUQWSHQN-QGZVFWFLSA-N 322.408 4.901 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3F)o2)cc1 20619898 UQEKBARHOPPLDX-PKNBQFBNSA-N 317.319 4.853 30 20 DJED O=C(/C=C/c1cnc2ccccn12)c1cc(Cl)sc1Cl 119124946 SVTXXFACUMEONM-SNAWJCMRSA-N 323.204 4.599 30 20 DJED CC(C)c1ccc2c(c1)[C@H](NCc1cccc(C#N)c1)CCCO2 126527194 IIQKCUOFIVHIBU-HXUWFJFHSA-N 320.436 4.685 30 20 DJED CC(C)CC[C@H]1CCCCN1C(=O)Nc1ccc(CC#N)cc1 134544470 RHFKYLIYTOQGFJ-GOSISDBHSA-N 313.445 4.575 30 20 DJED Cc1cccc([C@H](C)C(=O)Nc2ccccc2SCCC#N)c1 151817629 ZQMNCNGAQQPPHT-HNNXBMFYSA-N 324.449 4.743 30 20 DJED C=C(Br)CN[C@@H](C)c1ccc(Cl)c(Cl)c1 168217053 XRHSLUFHKHVJIS-QMMMGPOBSA-N 309.034 4.553 30 20 DJED N#Cc1ccc(CNc2ccc3nc(C4CC4)sc3c2)s1 178205116 ADNATQAXGIGLBE-UHFFFAOYSA-N 311.435 4.719 30 20 DJED C=C[C@H](CC(=O)Nc1c(F)cc(Cl)cc1F)c1ccccc1 180335273 KVOQXNBMZNQBSZ-LLVKDONJSA-N 321.754 4.917 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)CC[C@@H](C)c1ccccc1 189913084 GAXNIDWKUPCIQX-MRXNPFEDSA-N 300.446 4.501 30 20 DJED C=C(C)CN(CC)[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 216166375 JSZMOPXHVVBTOG-QGZVFWFLSA-N 322.452 4.579 30 20 DJED Cc1ccc(-c2ccc(CN[C@H](C)c3cccc(C#N)c3)o2)cc1 237413535 ZBHSSFUKUYHXHC-MRXNPFEDSA-N 316.404 4.978 30 20 DJED Cc1cccc(-c2cccc(CNCc3cccc(C#N)c3)c2)c1 237814599 VQVKUOWFDPCOKA-UHFFFAOYSA-N 312.416 4.824 30 20 DJED CO[C@@H](C)c1nc(CSCCCCC(C)(C)C#N)cs1 278025252 WJNUTENCRKZBCG-LBPRGKRZSA-N 312.504 4.804 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)CC(C)(C)C1CC1 294073186 LGFFUIHRWOXYDY-ZDUSSCGKSA-N 316.470 4.846 30 20 DJED N#CCCCOc1cccc(Nc2nc3ccccc3s2)c1 301062728 DXGJCTCLYCGVFA-UHFFFAOYSA-N 309.394 4.722 30 20 DJED N#CCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccccc1 339481542 CVLXFFCWVWKHFN-NBYUQASBSA-N 324.468 4.754 30 20 DJED N#CCCn1cc(-c2csc(CC3CC3)n2)c2ccccc21 342137186 OVXZRZSLLRFEJJ-UHFFFAOYSA-N 307.422 4.631 30 20 DJED C=CC[C@@H](CC)NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 410124481 WTMGRKNOOOGVBV-SWLSCSKDSA-N 313.363 4.670 30 20 DJED C[C@H](CCSc1ccccc1)Sc1ccc(C#N)cn1 431235182 WXHZCJNRNROHEA-CYBMUJFWSA-N 300.452 4.616 30 20 DJED C=CCC[C@H](NC(=O)N(C)[C@@H](C)C1(C)CC1)c1ccccc1 435765087 UPVFKTRXNMDTGR-RDJZCZTQSA-N 300.446 4.524 30 20 DJED C=CCSCCC(=O)Nc1ccc(Oc2ccccc2)cc1 437267824 OTSTWWWMGVQPGF-UHFFFAOYSA-N 313.422 4.727 30 20 DJED N#Cc1cnc2c(F)c(F)c(F)cc2c1Sc1cccs1 439098289 LBHBGBUSUKRRGY-UHFFFAOYSA-N 322.336 4.736 30 20 DJED C=CCC1(C(=O)N2CCC(OCCC(C)C)CC2)CCCCC1 448722397 BVTRVDBDXYQOCT-UHFFFAOYSA-N 321.505 4.567 30 20 DJED CCCC(=O)Nc1cccc(NC2CCC(C)(C#N)CC2)c1C 449043237 XADGIPSCKVHNQM-UHFFFAOYSA-N 313.445 4.618 30 20 DJED Cc1ccc([C@@H](C)N(C)C(=O)Nc2cc(C#N)ccc2C)c(C)c1 476766836 NAFGUSRTLKQERS-MRXNPFEDSA-N 321.424 4.708 30 20 DJED CCN(C(=O)c1cc(C)c(F)c(C)c1)[C@H](C)c1ccc(C#N)cc1 487942713 HLZRHMOLZDLALU-OAHLLOKOSA-N 324.399 4.538 30 20 DJED C[C@@H](c1cccc(F)c1)N1CC=C(c2ccc(C#N)cc2)CC1 502497760 YSFMHVNNQRSTFC-HNNXBMFYSA-N 306.384 4.548 30 20 DJED C=CCCc1ccccc1NC(=O)c1cc(F)ccc1Cl 512780309 ZMFWKRMEIJJPNH-UHFFFAOYSA-N 303.764 4.850 30 20 DJED CC(C)(C)CN(CCC#N)Cc1cccc(-c2ccccn2)c1 513724117 CLGCMVIGHVALSK-UHFFFAOYSA-N 307.441 4.510 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)CCC1CCCC1 520824895 GUGLVWBZCPLLBX-AWEZNQCLSA-N 316.470 4.847 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1ccnc2ccccc12 534339648 OUNIZDWMZSCSOJ-UHFFFAOYSA-N 315.420 4.519 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cc(Cl)cs1 554878449 RUKNLYCRINTDLH-UHFFFAOYSA-N 323.893 4.757 30 20 DJED N#CC1(c2nc(-c3ccc4ccccc4c3)no2)CCCCC1 565976964 QVDYBOUZUGJSRB-UHFFFAOYSA-N 303.365 4.615 30 20 DJED N#CCC[C@@H](C#N)CN[C@@H](c1cccc(Cl)c1)C1CCCC1 569352495 QTRHNNHAFRIGJQ-KBXCAEBGSA-N 315.848 4.604 30 20 DJED N#CC1(CCSc2ncnc3sccc23)CCCCC1 578964588 IWRZRAFAACZEJX-UHFFFAOYSA-N 303.456 4.648 30 20 DJED N#CCCCCCC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 590772683 CFYZKSWBRKGYOS-QGZVFWFLSA-N 322.811 4.520 30 20 DJED N#CCCCCCC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 590894689 WIQWKSCFNBFJOE-LJQANCHMSA-N 310.441 4.604 30 20 DJED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cc2ccncc2s1 595021837 GHZIAKBZSAYLTH-PBHICJAKSA-N 321.449 4.992 30 20 DJED C=CC[C@H](C)NC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 607184360 ZYULAAQHUQGKDB-HOTGVXAUSA-N 300.446 4.524 30 20 DJED CC(C)Oc1ccccc1CNc1cc(C#N)c2ccccc2n1 609892621 LMUNOWNRTQIVHD-UHFFFAOYSA-N 317.392 4.506 30 20 DJED C=CCC[C@H](NCc1cc(COC)cs1)c1ccccc1 657413362 PEMRFGHPSSKCED-SFHVURJKSA-N 301.455 4.692 30 20 DJED C=CC[C@H]1CCCN(C(=O)Nc2cc(SC)ccc2Cl)C1 667461564 FXBKMHXRDKUAGJ-LBPRGKRZSA-N 324.877 4.882 30 20 DJED COc1ccc(/C=C2/CCc3sccc3C2=O)c(Cl)c1 726892591 NNFAHAPLFRJIMB-FLIBITNWSA-N 304.798 4.623 30 20 DJED CSc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1F 741846478 GMIDWXYRROKLGR-UXBLZVDNSA-N 315.413 4.510 30 20 DJED CCCCCCCCN(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 747842318 CUYJMVPNFAPYRZ-HRAATJIYSA-N 309.519 4.777 30 20 DJED COCc1ccc(/C=C\C(=O)c2cc3ccc(C)cc3o2)cc1 754823517 DAOAVYWFVLDMPR-NTMALXAHSA-N 306.361 4.784 30 20 DJED N#Cc1ccccc1/C=C\C(=O)c1nc(-c2ccccc2)cs1 755592282 HIOMKLOHXAHQSF-KHPPLWFESA-N 316.385 4.578 30 20 DJED C#CC[C@H](NCc1ccc(OCC(C)C)cc1)c1ccccc1 756995260 FLUFURUQQQDNMK-NRFANRHFSA-N 307.437 4.576 30 20 DJED C=CCN(Cc1nc(C)c(-c2ccc(Cl)cc2)o1)C(C)C 758696415 OXJQNTAZFNJFHP-UHFFFAOYSA-N 304.821 4.700 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1)c1ccc(OC(C)(C)C)cc1 765816093 XAHXAGSYMJAIQS-OAHLLOKOSA-N 308.425 4.586 30 20 DJED Cc1ccc(C)c(NN=Cc2cn(C)nc2C2CCCCC2)c1 783811930 ZGRAKJBSSFYVRH-UHFFFAOYSA-N 310.445 4.531 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)OCCCC(C)(C)C#N 784952608 AFVNCTNFQANVFY-JKSUJKDBSA-N 313.441 4.849 30 20 DJED COc1ccc2nc(/C=C/C(=O)c3ccc(C)cc3)sc2c1 788734047 VQHGHKPCHKIEPD-MDZDMXLPSA-N 309.390 4.509 30 20 DJED C[C@H](Oc1cc(C=O)cc(C(F)(F)F)c1)c1ccc(C#N)cc1 810030166 QYRBSQWOIIKPGC-NSHDSACASA-N 319.282 4.530 30 20 DJED O=C(/C=C/c1cccc(F)c1)c1ccc(F)c(Br)c1 810248553 XGYGRQDXONUZGJ-QPJJXVBHSA-N 323.136 4.623 30 20 DJED C=CCCc1ccccc1NC(=O)C[C@@]1(C)CC1(Cl)Cl 831299544 PLQKNFGKNXMXBO-HNNXBMFYSA-N 312.240 4.718 30 20 DJED C=CCCOCCCCC(=O)Oc1cccc2sccc12 847116435 BMOUHRGAJCRHGV-UHFFFAOYSA-N 304.411 4.570 30 20 DJED CC(=O)[C@](C#N)(CCSc1ccc(C)s1)c1ccccc1 871673096 BUUUMFGENDRETI-QGZVFWFLSA-N 315.463 4.589 30 20 DJED C=C1CCC(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 895550233 CKBZYGCLOSZGKV-UHFFFAOYSA-N 322.452 4.620 30 20 DJED C[C@@H]1CCCC(=NNc2ncc(C(F)(F)F)cc2Cl)C1 916286590 LBTCKBHVRRKYBM-MRVPVSSYSA-N 305.731 4.732 30 20 DJED CC(C)CN(C(=O)c1cccc(C(C)C)c1)c1ccc(C#N)cc1 1124900443 FNZHGTAMJGPNNC-UHFFFAOYSA-N 320.436 4.984 30 20 DJED CCC(C)(C)c1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1 1128725736 UKUNGXOBCHUPTC-UHFFFAOYSA-N 320.436 4.817 30 20 DJED C[C@@H]1CCc2sc(NC(=O)CC3CCCC3)c(C#N)c2[C@@H]1C 1129356357 QRDPBVMPPSCTGO-VXGBXAGGSA-N 316.470 4.824 30 20 DJED CC(C)Oc1cccc(CNc2nc(C(C)(C)C)ccc2C#N)c1 1162195763 QHEZGHNOLGFPFZ-UHFFFAOYSA-N 323.440 4.650 30 20 DJED Cc1c(Cl)cnc(N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1C#N 1185273133 MQXCJRKRKRZGBG-JDSLSITLSA-N 303.837 4.542 30 20 DJED CC(C)(C)ON=C(Cc1ccccn1)c1ccc(Cl)cc1F 1320951032 WNJFERXGZHGALB-UHFFFAOYSA-N 320.795 4.636 30 20 DJED C[C@H](CCC(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccccc1 1354917164 CBHFFPBJLSJJCX-HZPDHXFCSA-N 307.393 4.746 30 20 DJED CC[C@H](CC1CCCC1)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 1436850075 PBRKIKTXUKLWBO-XLIONFOSSA-N 324.468 4.658 30 20 DJED COc1ccc(NC(=O)CC(C)(C)C2CCCCC2)cc1C#N 1462315422 SILQRYWXQYECII-UHFFFAOYSA-N 314.429 4.502 30 20 DJED Cc1cc(C)cc(C[C@H](C)Nc2ncc(Cl)c(C)c2C#N)c1 1472709051 BTYXLEJSMVWTHN-ZDUSSCGKSA-N 313.832 4.575 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)[C@@H](C)C(C)(C)C)c2C#N)[C@H](C)C1 1588272168 YAAPKXUQKQWRLT-QJPTWQEYSA-N 318.486 4.926 30 20 DJED N#Cc1cccc(C#N)c1Nc1ccc(COC2CCCC2)cc1 1642298713 JURPKPGCQFDLQZ-UHFFFAOYSA-N 317.392 4.633 30 20 DJED N#Cc1cccc(Br)c1N[C@@H]1C[C@H]1C1CCCCC1 1642637700 PXQXEUCMLBKEMC-DZGCQCFKSA-N 319.246 4.701 30 20 DJED Cc1ccccc1COc1c(C)cc(CN[C@@H](C)CC#N)cc1C 1651494636 UZKKIGXJAZCOEB-SFHVURJKSA-N 322.452 4.583 30 20 DJED C=C(Cl)CN[C@@H](C)c1cccc(OCc2ccccc2)c1 1653503047 OUORCJZHGMJXRZ-HNNXBMFYSA-N 301.817 4.669 30 20 DJED C=C(Br)CN[C@@H](CC(C)C)c1ccc(Cl)cc1 1653929835 VOOLHTBIPMSRSS-AWEZNQCLSA-N 316.670 4.925 30 20 DJED C[C@@H]1CCCC[C@@H]1CNc1ccc(Oc2ccnc(C#N)c2)cc1 1657466121 RJNQSDZYFBWCQY-HZPDHXFCSA-N 321.424 4.984 30 20 DJED C=C(CNC(=O)Nc1ccc2ccccc2c1)c1ccccc1 1658170833 LQZNEEUQHZCVGO-UHFFFAOYSA-N 302.377 4.675 30 20 DJED CCC(=NNc1ccc(C(=O)O)cc1)c1cccc2ccccc12 1776012870 SWDCNRAVZPKJDC-UHFFFAOYSA-N 318.376 4.764 30 20 DJED C=CCC1(C=NNc2ccc(Cl)c(C(=O)O)c2)CCCC1 1776034449 HOASPRQCIXRLBO-UHFFFAOYSA-N 306.793 4.572 30 20 DJED O=C(O)c1ccc(/C=C\C(=O)c2ccccc2Cl)c(Cl)c1 1776115182 PLOKJJVXZZLXFD-FPLPWBNLSA-N 321.159 4.588 30 20 DJED Cc1ccc(C(=O)/C=C/c2cc(C(=O)O)c(C)cc2C)cc1C 1777433830 VCDRHWNUUYXVDW-BQYQJAHWSA-N 308.377 4.515 30 20 DJED Cc1nc(C)c(C#N)c(SCc2ccc(C(C)(C)C)cc2)n1 25960080 GRJQHZWIKJZYRA-UHFFFAOYSA-N 311.454 4.555 30 20 DJED C[C@@H](c1ccc(Cl)cc1)N(CCCSCC#N)C1CC1 72515138 YSBPGYAPZYUMKD-ZDUSSCGKSA-N 308.878 4.512 30 20 DJED Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1ccc(C#N)cc1 98006965 YKVMLCLKBXKJBX-KTKRTIGZSA-N 310.422 4.517 30 20 DJED C=CCCCC(=O)N1CCC(c2c(C)[nH]c3ccccc23)CC1 175381122 NMHTZHXUVGKBOM-UHFFFAOYSA-N 310.441 4.539 30 20 DJED C=CCCC[C@H](C)NC(=O)c1cccc(-c2ccccn2)c1C 179782950 JDIATBIDBPFNQW-HNNXBMFYSA-N 308.425 4.532 30 20 DJED Cc1ccc([C@@H](C)Nc2cccc(OCCCC#N)c2)c(O)c1 193907564 JBSBKJOVSFUUML-OAHLLOKOSA-N 310.397 4.556 30 20 DJED N#Cc1cccc(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)c1 206978619 ZAEDQXFZPQOASX-ALCCZGGFSA-N 302.160 4.761 30 20 DJED Cc1sccc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 294556689 JCNXOLYRZDOMLT-NSHDSACASA-N 316.451 4.561 30 20 DJED CC(=O)c1ccc(C#N)c(N2CCC[C@H](c3ccccc3)CC2)c1 302129602 XOSIJVCKZAARNQ-SFHVURJKSA-N 318.420 4.535 30 20 DJED C[C@H](Nc1cccc(OC(F)(F)F)c1)c1cccc(C#N)c1 315912568 SFNVXKCLDRHGEI-NSHDSACASA-N 306.287 4.630 30 20 DJED C[C@@H](Cc1ccc(F)cc1)Nc1cccc(OCCCC#N)c1 323460259 VVLFUZUMHWBRSZ-HNNXBMFYSA-N 312.388 4.551 30 20 DJED OC(=Nc1ccccc1-c1cn[nH]c1)C1C2CC3CC(C2)CC1C3 329594208 ONCMMLIZNRMJJE-UHFFFAOYSA-N 321.424 4.737 30 20 DJED CC1(C)CCCc2sc(N=C(O)CCC3CCOCC3)nc21 329611645 DIKCEEDCSBIDSJ-UHFFFAOYSA-N 322.474 4.552 30 20 DJED CCC1(CC)CCC(/N=C(/O)c2cccc(C(=N)O)c2)CC1 331072275 SQCQWRKDCAISDV-UHFFFAOYSA-N 302.418 4.624 30 20 DJED C[C@@H](CC1CCCC1)C(=O)Nc1ccc(Cl)cc1CC#N 410971247 SDSHDJGTRNVQOR-LBPRGKRZSA-N 304.821 4.561 30 20 DJED C[C@H](N[C@H](C)CCC#N)c1cccc(OCc2ccccc2)c1 411634860 MFDOYLIMRNGLMX-SJORKVTESA-N 308.425 4.608 30 20 DJED N#CC1(CC[S@@](=O)Cc2ccccc2C2CC2)CCCCC1 414233992 CENRYTZCUJVVTC-JOCHJYFZSA-N 315.482 4.677 30 20 DJED CC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)cc1 417371000 SYOGJBVHMAPZIC-RTWAWAEBSA-N 315.420 4.548 30 20 DJED Cc1ccc(C2CC2)c(C(=O)N[C@@H](C#N)c2ccccc2Cl)c1 425559009 GBLZQUKFQXCINC-SFHVURJKSA-N 324.811 4.521 30 20 DJED CCc1c(N[C@@H](C)c2cccc(C#N)c2)cnn1CCC(C)C 426030963 WESHHWQFJAUBCC-HNNXBMFYSA-N 310.445 4.536 30 20 DJED CC(C)CN(C(=O)Nc1ccc(C#N)cc1Cl)C1CCCC1 426165933 MKZFNEDCYDRRQM-UHFFFAOYSA-N 319.836 4.644 30 20 DJED Cc1c(C#N)cccc1NC(=O)N1CCC[C@H](C(C)(C)C)CC1 431714747 ZUXKVDGTOFKZHZ-INIZCTEOSA-N 313.445 4.547 30 20 DJED Cc1c(Cl)cnc(N2CC3(CCC3)[C@H]2c2ccccc2)c1C#N 432148016 JOHZKSWIPWYULN-QGZVFWFLSA-N 323.827 4.647 30 20 DJED CC[C@H](c1ccc(F)cc1)[S@@](=O)CCCCC(C)(C)C#N 436108137 XJGFLBODQZGZRT-IERDGZPVSA-N 309.450 4.746 30 20 DJED Cc1ccc(NC(=O)CS[C@@H](C)c2cccc(C#N)c2)cc1C 443158464 VNDOPFZXJWCUCW-HNNXBMFYSA-N 324.449 4.608 30 20 DJED C=CCC1(C(=O)N2CC=C(c3ccc(C)nc3)CC2)CCCCC1 450580622 OCDFOWLLHLYGHO-UHFFFAOYSA-N 324.468 4.532 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(C)c1C 471114776 GNFVNHUIEBKUOG-UHFFFAOYSA-N 308.425 4.914 30 20 DJED N#Cc1ccc(/C=C\c2ccc(-c3cccc(F)c3F)o2)nc1 478918861 YXUCGSAGOXINDF-SREVYHEPSA-N 308.287 4.662 30 20 DJED CC(C)[C@H](CC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 482430423 BSVXBHLBPVUYKK-JXFKEZNVSA-N 320.436 4.565 30 20 DJED Cc1c(C#N)cccc1C(=O)N[C@H](C)c1cc2ccccc2s1 509531670 FLQNPMYFOBNRCL-CYBMUJFWSA-N 320.417 4.572 30 20 DJED Cc1ccccc1[C@@H](CC(C)C)NCc1ccc(C#N)cc1F 533309435 YTDWXCSXWAAHAR-HXUWFJFHSA-N 310.416 4.883 30 20 DJED N#CCCCCN1CCCC[C@@H]1c1ccccc1C(F)(F)F 533508492 XTFDFBYDZQAICV-MRXNPFEDSA-N 310.363 4.926 30 20 DJED C=CCC[C@@H](NC[C@@H]1CCCN(c2ccccc2)C1)c1ccco1 556876347 CTIKMGPTDRJTHB-AZUAARDMSA-N 324.468 4.793 30 20 DJED Cc1ccccc1[C@@H]1CCCN1C(=O)CC1(C#N)CCCCC1 596854831 RYZPYJWNZBSGSO-SFHVURJKSA-N 310.441 4.523 30 20 DJED Cc1nc(C(C)C)sc1[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 610829688 DYAOJPPEMQBMHT-QWHCGFSZSA-N 313.470 4.858 30 20 DJED CCCCCc1ccc(NC(=O)N2CCC[C@@](C)(C#N)C2)cc1 612294407 PKMBEIODVYITRD-IBGZPJMESA-N 313.445 4.577 30 20 DJED N#C[C@@H]1CCC[C@H](NCCc2ccc(-c3ccccc3)cc2)C1 613255430 BJXLQPGFAJIDFF-NQIIRXRSSA-N 304.437 4.568 30 20 DJED C=CC[C@@H]1CCCN(C(=O)Nc2ccccc2C(C)(F)F)C1 667184417 QLEAYDZSKMLLSE-CYBMUJFWSA-N 308.372 4.618 30 20 DJED COc1ccc2oc(C(C)=NNc3ccc(F)cc3)c(C)c2c1 729140757 NDOGZPHAIYRRIY-UHFFFAOYSA-N 312.344 4.725 30 20 DJED CC(=NNc1nccnc1Cl)c1ccc(-c2ccccc2)cc1 733079408 KFOLFWRIOOCOGE-UHFFFAOYSA-N 322.799 4.633 30 20 DJED COc1ccccc1/C=C\C(=O)c1ccc(SC(F)F)cc1 734980212 IPYZVSUQIUWCRX-FLIBITNWSA-N 320.360 4.906 30 20 DJED CCc1ccccc1NN=C(C)CCc1ccccc1[N+](=O)[O-] 741459413 AHZNBSYSHPAEQO-UHFFFAOYSA-N 311.385 4.578 30 20 DJED C/C(=C\C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1)C(C)(C)C 742657105 LQOKHZSHUZSAEC-VSOYFRJCSA-N 312.457 4.657 30 20 DJED COc1cc(C)ccc1C(=O)/C=C\c1cccc(OC(F)F)c1 747064398 VHJAUAQDXSBIDA-CLFYSBASSA-N 318.319 4.501 30 20 DJED C=CC[C@H](N[C@H](C)c1cc(C)c(OC)cc1C)c1ccncc1 753672491 WHVBNFLJBBNNLE-APWZRJJASA-N 310.441 4.675 30 20 DJED C#CC[C@H](N[C@@H](CC)c1ccc(OC)c(OC)c1)c1ccccc1 773114934 KYOVRTYMMDGYMT-OALUTQOASA-N 323.436 4.509 30 20 DJED C=C(Cl)COc1ccc([C@@H](C)N[C@@H]2CCC(F)(F)C2)cc1 777240795 CJJXOTSTXWTVSN-TZMCWYRMSA-N 315.791 4.656 30 20 DJED C[C@@H](NN=Cc1c(Cl)ccc2cccnc12)c1ccccc1 781122101 GDLBSQIXWBKVPO-CYBMUJFWSA-N 309.800 4.573 30 20 DJED CSc1ccc(C(=O)/C=C\c2ccc3cnccc3c2)cc1 782312681 LDQBXPMJCVLAIA-OQFOIZHKSA-N 305.402 4.853 30 20 DJED C[C@H](OC(=O)CCc1ccc(C#N)cc1)c1cc2ccccc2o1 786474592 LOWUTIKPDKHHNP-AWEZNQCLSA-N 319.360 4.541 30 20 DJED C#CC[C@@H](N[C@@H]1CC(C)(C)c2cc(OC)ccc21)c1ccccc1 788982913 GGMARWDYVHRUEH-NHCUHLMSSA-N 319.448 4.772 30 20 DJED C=CCOc1ccccc1CN[C@@H](CC)c1ccc(C)cc1O 794806383 ICKUUDYGVIHKBX-SFHVURJKSA-N 311.425 4.506 30 20 DJED COc1cc(/C=C\C(=O)c2cc3ccc(C)cc3o2)ccc1C#N 799499441 WDQSDDOZLMYLCE-YVMONPNESA-N 317.344 4.518 30 20 DJED CC(C)Oc1c(F)cc(NC2CCC(C)(C#N)CC2)cc1F 824147346 JTBAEWOVLWMCLX-UHFFFAOYSA-N 308.372 4.636 30 20 DJED C[C@H](C#N)Oc1ccccc1NC1CC(C)(c2ccccc2)C1 839005629 NIOJJJJHKBJDCH-XRTORIHISA-N 306.409 4.510 30 20 DJED COc1cc(F)cc(NN=C[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 853319432 SPWGEGJJXXMCHL-WDEREUQCSA-N 318.314 4.601 30 20 DJED CCCCCCCCCN(C)C(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 918397378 BEOCJRDGBDKBNI-JWTNVVGKSA-N 321.505 4.591 30 20 DJED C=C(C)COC(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl 919294825 DBANYXURLHYRLE-UHFFFAOYSA-N 313.102 4.745 30 20 DJED C[C@H](SCC1(CC#N)CC1)[C@@H](C)SCC1(CC#N)CC1 1118414227 PLEYKFSPLDDISQ-OKILXGFUSA-N 308.516 4.618 30 20 DJED N#C[C@H]1CC[C@@H](N[C@@H]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 1206376622 KPDQDQALCUNEFE-XZBIERFOSA-N 323.267 4.911 30 20 DJED CC(C)CCN(CCC(C)C)C(=O)c1ccc(C#N)c(Cl)c1 1264356767 RKKVZDBMOIGTEH-UHFFFAOYSA-N 320.864 4.746 30 20 DJED N#C[C@H](Cc1ccccc1)Sc1nc2cccc(F)c2s1 1307389240 QGJUMFWZTAOJRV-LBPRGKRZSA-N 314.410 4.662 30 20 DJED Cc1ccc([C@H]2[C@H](C)CCCN2Cc2ccc(C#N)cc2F)cc1 1308588456 OPRULEALTGSCKW-IIBYNOLFSA-N 322.427 4.979 30 20 DJED Cc1ccc([C@H]2C[C@H](C)N(Cc3ccc(C#N)c(C)c3)C2)cc1 1308723157 FJPDNCLXIBDKEF-UWJYYQICSA-N 304.437 4.553 30 20 DJED CCc1ccc([C@@H](Nc2ccc(OCC#N)cc2)C(C)C)cc1 1319855753 CTKGJXZCUUUJDN-FQEVSTJZSA-N 308.425 4.961 30 20 DJED CCCC(C)(C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1436354267 PNMLZPAJKQVFDO-UHFFFAOYSA-N 302.418 4.500 30 20 DJED Cc1c(Cl)cnc(N[C@H](Cc2ccccc2)C(C)C)c1C#N 1458587564 JLWIUBSNNSHLFK-QGZVFWFLSA-N 313.832 4.594 30 20 DJED CC(C)CN(C(=O)c1cccc(C#N)c1)c1ccccc1Cl 1461017357 GFESFZROAGGNQG-UHFFFAOYSA-N 312.800 4.514 30 20 DJED Cc1cc(CN2CCS[C@H](C)[C@@H]2c2ccccc2)ccc1C#N 1461872459 MMJOUHASMPORDC-OXQOHEQNSA-N 322.477 4.545 30 20 DJED Cc1ccccc1Sc1nccc(Oc2cccc(C#N)c2)n1 1472666309 HTSHFOVUGUUZMW-UHFFFAOYSA-N 319.389 4.600 30 20 DJED C[C@@H](OC(=O)[C@@]1(c2ccccc2)CC1(C)C)c1ccc(C#N)cc1 1524301390 HAXVLPLFWOKCDB-VFNWGFHPSA-N 319.404 4.530 30 20 DJED C[C@H]1CCc2sc(NC(=O)C3CCCCC3)c(C#N)c2[C@@H]1C 1534584118 QMTLSDILUXVKQM-NWDGAFQWSA-N 316.470 4.824 30 20 DJED CC[C@@H](C)[C@H](C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 1537633810 OBHMJPJRFMTXSY-CABCVRRESA-N 322.408 4.971 30 20 DJED C[C@H]1CCC[C@H]([C@H](C)NCc2cc(Cl)ccc2OCC#N)C1 1559911077 DVOJKKXFWDBYRP-KKUMJFAQSA-N 320.864 4.547 30 20 DJED CC(C)(C)CN(CCC#N)Cc1ccc(SC(F)F)cc1 1621144641 NBNJEZSENGHKNN-UHFFFAOYSA-N 312.429 4.763 30 20 DJED Cc1cc(S[C@@H](C)c2nc(-c3ccccc3)no2)ccc1C#N 1644029468 LLXFATAIHUYWSQ-ZDUSSCGKSA-N 321.405 4.770 30 20 DJED CC1(C)C[C@@H](Nc2cccc(F)c2C#N)c2ccc(F)cc2O1 1651669889 CUHGKBRLAVFDKD-MRXNPFEDSA-N 314.335 4.551 30 20 DJED CCCN(Cc1ccc(CC#N)cc1)[C@@H]1CCc2ccccc2C1 1652341606 QQCOPHKSIQIUMA-JOCHJYFZSA-N 318.464 4.522 30 20 DJED CC(C)C[C@@H](C)NCc1cccc(OCc2ccccc2C#N)c1 1655968420 KICKYOHAQBZYMW-QGZVFWFLSA-N 322.452 4.661 30 20 DJED N#CCc1ccc(CN2CCCCC[C@@H]2c2ccccc2)cc1 1657138391 VBEVNWCDIZQNQV-OAQYLSRUSA-N 304.437 4.870 30 20 DJED CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(CC(=O)O)c2)cc1 1776120113 WICKHCKOTSHABA-KPKJPENVSA-N 322.404 4.507 30 20 DJED CC(C)[C@@H]1/C(=C\c2cc(C(=O)O)ccc2F)C(=O)c2ccccc21 1776308623 IRXVNAMFGCXMDZ-BXBHGGAKSA-N 324.351 4.543 30 20 DJED CC(C)=CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 56469631 ZMILYAHXUZZCAX-UHFFFAOYSA-N 306.365 4.564 30 20 DJED CCc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 66802035 ZWCONWNJSUCKIX-CQSZACIVSA-N 324.449 4.896 30 20 DJED N#CCCN(Cc1ccc(Cl)c(Cl)c1)Cc1ccco1 78665844 CUJHTJXXGBWKNW-UHFFFAOYSA-N 309.196 4.502 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@@H]1c1ccccc1Cl 125351721 BRURJDSCRCSBCI-QGZVFWFLSA-N 303.833 4.772 30 20 DJED CC(C)(C#N)CCCSCc1cc(-c2ccccc2)on1 161200209 NALHVVVGAWCGLI-UHFFFAOYSA-N 300.427 4.905 30 20 DJED CC1(C)CCCC[C@H]1CC(=O)[C@H](C#N)c1nc2ccccc2o1 178717336 AAOKISYBLBMEFQ-KBPBESRZSA-N 310.397 4.611 30 20 DJED C[C@@H](Nc1ccc(N2C[C@@H]3CC[C@@H]2C3)cc1)c1ccc(C#N)cc1 191712343 VGDGOOFITPTZLF-QLVMHMETSA-N 317.436 4.720 30 20 DJED CC(C)Cc1ccc([C@H](C)NCc2ccc(OCC#N)cc2)cc1 194886174 FXYYEOUMSRFOAD-KRWDZBQOSA-N 322.452 4.638 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccc(OCc2ccccc2)cc1 197621834 NXHCKXCOYHQILW-UHFFFAOYSA-N 324.424 4.696 30 20 DJED CC(C)(C#N)CCCC[S@](=O)Cc1ccc(C(F)F)cc1 278040850 XNGFBFJUYNSCND-NRFANRHFSA-N 313.413 4.593 30 20 DJED C=CCN(C(=O)CCCC)c1nc(-c2ccccc2)cs1 301141997 DTYJVOHEDUZBCL-UHFFFAOYSA-N 300.427 4.519 30 20 DJED C[C@H](Sc1cccc(C#N)n1)c1ccc(OC(F)(F)F)cc1 301809306 AYKHPPHOUJXHBQ-JTQLQIEISA-N 324.327 4.705 30 20 DJED N=C(O)c1ccc(N=C(O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c(F)c1 328745335 ACKPFTFDGAZAHA-SGMGOOAPSA-N 318.392 4.904 30 20 DJED CC(C)(C)c1cnc(CC/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@H]3C2)o1 328830528 UYNSLEIIIVBURA-SOUVJXGZSA-N 318.461 4.830 30 20 DJED CC[C@@H](N[C@@H]1CCCc2ccc(F)cc21)c1ccc(C#N)cc1 359026073 DSPMLDZLFVJQRA-WOJBJXKFSA-N 308.400 4.816 30 20 DJED C=C(C)C(C)(C)C(=O)N(C)c1nc2ccc(Cl)cc2s1 425561567 AQCGKACHZNTJOL-UHFFFAOYSA-N 308.834 4.515 30 20 DJED C[C@@H](NC(=O)CC1(C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 428157658 IQRRVCKUPDWSGL-OAHLLOKOSA-N 318.420 4.593 30 20 DJED N#Cc1ccc(NC(=O)CCc2cc3ccccc3o2)c(Cl)c1 430360986 YQNUJOMGTWKEKX-UHFFFAOYSA-N 324.767 4.529 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1ccc(SC(C)C)cc1 431850915 YPXKSECMMJMSGZ-UHFFFAOYSA-N 310.422 4.620 30 20 DJED C=CC[C@H]1N(C(=O)Nc2c(C)cccc2OC)CCCC1(C)C 446291264 IZOIPMRVTJTGMU-MRXNPFEDSA-N 316.445 4.602 30 20 DJED N#CCSCCCN(Cc1ccco1)c1cccc(Cl)c1 467182753 OVHTXWZZKBALSA-UHFFFAOYSA-N 320.845 4.586 30 20 DJED C=C(C)[C@H](Nc1nccc2occc12)c1ccc(F)c(F)c1 475723860 ZLSRUDKGMKYZBJ-INIZCTEOSA-N 300.308 4.835 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@@H]2CC[C@H](c3cccc(F)c3)C2)c1 480786570 PHRSUHZIUOKYHL-QFBILLFUSA-N 322.383 4.648 30 20 DJED C=CCOc1ccccc1CN[C@@H](CC)c1cc(F)ccc1F 482894275 SEPNMCCAOLDRRQ-SFHVURJKSA-N 317.379 4.771 30 20 DJED C=CCC[C@@H](C(=O)Nc1ccc(C(C)=O)cc1)c1ccccc1 487638122 QKYHCUSRIPYJKC-LJQANCHMSA-N 307.393 4.578 30 20 DJED C=CCCC[C@@H](C)NC(=O)c1ccc(C)c(Oc2ccncc2)c1 539430912 VLZYFZLZGARTBR-MRXNPFEDSA-N 324.424 4.657 30 20 DJED C=CC[C@H](C)[C@H](C)NCC1(c2ccc(Cl)cc2)CCOCC1 540191176 LYZHQBXISZIXPA-HOTGVXAUSA-N 321.892 4.579 30 20 DJED N#CC1(C(=O)Nc2ncc(C3CCCCC3)s2)CCCCC1 543859189 NAWGEWLSUNEXSM-UHFFFAOYSA-N 317.458 4.603 30 20 DJED Cc1ccc2sc(C(=O)N(CCC#N)CC(C)(C)C)cc2c1 568337313 DUTPCHFXHCWZRM-UHFFFAOYSA-N 314.454 4.612 30 20 DJED CC(C)(C)CCCCC(=O)Nc1cccc(OCCCC#N)c1 571308135 BYLKCJKJVAIYQE-UHFFFAOYSA-N 316.445 4.914 30 20 DJED N#Cc1cccc(CSCc2cc(-c3ccc(F)cc3)no2)c1 609236461 HPDZSJFJHCRIOI-UHFFFAOYSA-N 324.380 4.786 30 20 DJED CCN(Cc1ccc2[nH]ccc2c1)[C@@H](C)c1ccc(C#N)cc1 615823325 FLOUPSGGPNASFU-HNNXBMFYSA-N 303.409 4.623 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@H](Cc2ccc(C)cc2)C1 675153304 KMYOHDYQWSAGOK-LJQANCHMSA-N 311.469 4.545 30 20 DJED C=C(C)[C@H](NCCCc1cnccc1C)c1ccc(F)c(F)c1 685427650 OZGSKEXKRPIXGO-IBGZPJMESA-N 316.395 4.508 30 20 DJED C=CCN(C(=O)N[C@H](C)c1cc2ccccc2s1)C(C)C 730677198 LJXCYRIDMDUAPU-CYBMUJFWSA-N 302.443 4.568 30 20 DJED COc1cccc2cc(/C=C\C(=O)c3ccc(F)cc3C)oc12 731322306 WUIOJEQCTSDCEO-CLFYSBASSA-N 310.324 4.785 30 20 DJED CCc1ccc(C(=O)/C=C\c2ccc(OC)c(Cl)c2)s1 741471485 MYBSFYZDZJCMNM-DAXSKMNVSA-N 306.814 4.869 30 20 DJED Cc1ncsc1/C=C/C(=O)c1ccc2c3c(cccc13)CC2 742432604 YMHDZZLGLGJXKT-MDZDMXLPSA-N 305.402 4.599 30 20 DJED CC1(C)C(=NNc2ccc(Cl)cc2Cl)[C@H]2CCCO[C@@H]21 743427953 GFSZLGUGICNZKV-YGRLFVJLSA-N 313.228 4.596 30 20 DJED Cc1cc(/C=C/C(=O)c2ccccc2)ccc1Br 746393907 MHKAHXNNJJTVEV-CSKARUKUSA-N 301.183 4.654 30 20 DJED O=C(/C=C\c1cnn(-c2ccccc2)c1)c1ccc2ccccc2c1 747003608 JUKMXKSCGKUSQH-RAXLEYEMSA-N 324.383 4.922 30 20 DJED COc1ccc(C(C)=NNc2cccc3ccccc23)cc1F 747059841 BCWPPYMIOAUKDZ-UHFFFAOYSA-N 308.356 4.824 30 20 DJED Fc1cccc(F)c1NN=Cc1csc(Cl)c1Cl 761814942 DOWOLHZEEKQWMJ-UHFFFAOYSA-N 307.152 4.779 30 20 DJED O=C1/C(=C\c2ccc(O)cc2)Cc2cc(Cl)cc(Cl)c21 764431802 FZJKZPQQCSUVLQ-WZUFQYTHSA-N 305.160 4.521 30 20 DJED C/C=C(/C=C\C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)CC 765437403 KGFZTCSEQFKTEM-JKVFBMRUSA-N 323.223 4.587 30 20 DJED C=CCC[C@@H](CCC)N[C@H](c1ccccc1)c1nccs1 765490440 VWPJOZYHPMCZDD-IAGOWNOFSA-N 300.471 4.957 30 20 DJED O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1cscn1 769265543 QRQZFAMRRJCDMZ-DHZHZOJOSA-N 321.401 4.618 30 20 DJED N#Cc1cccc(NCc2cc(-c3ccccc3)ccc2O)c1 770502470 XXPXMFIWSIKOHI-UHFFFAOYSA-N 300.361 4.543 30 20 DJED CC[C@@H](C)CCCCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 784876852 YOTWIRGVVZMELY-UKRRQHHQSA-N 311.429 4.654 30 20 DJED C#CCCCCC(=O)Nc1ccc(-c2ccc(Cl)s2)cn1 791040696 IMAAWNZQQZAKIK-UHFFFAOYSA-N 318.829 4.596 30 20 DJED CC(C)Cc1cccc(C(=O)/C=C/c2cccc(OCC#N)c2)c1 794723133 DWBVZMDELPIDGE-MDZDMXLPSA-N 319.404 4.684 30 20 DJED COc1cccc(C=Nc2cc(-c3cccnc3)ccc2C)c1O 794835874 ZLUNGHAVEFQBBE-UHFFFAOYSA-N 318.376 4.522 30 20 DJED C=C(C)CCNc1ccc(Cl)cc1[C@@H](O)c1ccccc1 809188696 OAVBKSWCPMGSKL-SFHVURJKSA-N 301.817 4.800 30 20 DJED Fc1cc(F)cc(C2CC(=NNc3cccc(F)c3F)C2)c1 814859535 SAPCFWNGTYTLGS-UHFFFAOYSA-N 308.278 4.589 30 20 DJED CCCc1nc(C)c(CON=Cc2ccc(C(C)C)cc2)o1 853644787 ZCQAAFUOPOJGFX-UHFFFAOYSA-N 300.402 4.610 30 20 DJED FC(F)(F)c1ccc(NN=C2CC[C@@H]3CCCC[C@@H]3C2)nc1 915917488 DNRWCDYRFAQIFB-NWDGAFQWSA-N 311.351 4.859 30 20 DJED N#CC[C@@H](CC(=O)Nc1ccc(C(F)F)cc1)c1ccccc1 1134356787 MMOLKCQWDYQJOQ-HNNXBMFYSA-N 314.335 4.650 30 20 DJED CCC[C@]1(C)CCCN(Cc2cc(Cl)ccc2OCC#N)C1 1167510176 UPNYSETYXTUBOC-GOSISDBHSA-N 320.864 4.645 30 20 DJED C[C@H]1CCCc2ccccc2[C@@H]1Nc1nc(C#N)c(Cl)s1 1186043065 GFDLPEYDSIZYKI-IINYFYTJSA-N 317.845 4.794 30 20 DJED Cc1c(Cl)cnc(N[C@H](C)c2cccc(C3CC3)c2)c1C#N 1307129750 GOYZFDHFBGSHOK-GFCCVEGCSA-N 311.816 4.966 30 20 DJED Cc1cc(C)cc(C2CCN(c3cccc(F)c3C#N)CC2)c1 1307226544 UNBRBIUEBCONLR-UHFFFAOYSA-N 308.400 4.698 30 20 DJED C[C@H](CCN1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 1308607477 MOUMKZTXHYQAIL-GOSISDBHSA-N 316.448 4.841 30 20 DJED CC(C)(C)C1CCN(c2c(Br)cccc2C#N)CC1 1472758126 CNKREKWMFXACEJ-UHFFFAOYSA-N 321.262 4.583 30 20 DJED COc1cc(C#N)ccc1CN1C[C@@H](C)CC[C@H]1c1ccccc1 1473466190 ZWWPNLJWRHHPLT-JXFKEZNVSA-N 320.436 4.540 30 20 DJED CCCc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 1474185707 XZRRIXHMJOGIPT-OAQYLSRUSA-N 304.437 4.678 30 20 DJED CN(Cc1ccc(C#N)cc1)Cc1ccc(-c2ccc(F)cc2)o1 1474364276 CJCQAFTXHVJQEY-UHFFFAOYSA-N 320.367 4.589 30 20 DJED Cc1cc(C)c(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)s1 1532868830 SWYQDCGENMQNGT-UHFFFAOYSA-N 324.327 4.508 30 20 DJED N#Cc1c(NC(=O)CC2CCCC2)sc2c1CCCCCC2 1534347652 MJBBGTSAABJCKB-UHFFFAOYSA-N 316.470 4.798 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@H]1c1cccc(C)c1C 1615607251 DPGNAYWVRDADNS-NRFANRHFSA-N 304.437 4.821 30 20 DJED N#CC1(CCN2CCCn3c(cc4ccccc43)C2)CCCCC1 1643260304 AZACTUGERLNFNK-UHFFFAOYSA-N 321.468 4.711 30 20 DJED Fc1cc(C(F)(F)F)c(F)cc1COc1c(F)cccc1F 1643518722 RMIFLDNWMRDTNU-UHFFFAOYSA-N 324.195 4.841 30 20 DJED Cc1ccc([C@@H]2CCCN2c2nc(C(C)(C)C)ccc2C#N)cc1 1650370778 GNSWOUNVSUPZQR-SFHVURJKSA-N 319.452 4.901 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1cc2ccccc2o1 1652383672 RLRGBDQNYWYSPG-UHFFFAOYSA-N 304.393 4.715 30 20 DJED N#Cc1c(F)cccc1Oc1ccc(OCC2CC2)c(Cl)c1 1655507348 DXMXLZBXLYUVOO-UHFFFAOYSA-N 317.747 4.932 30 20 DJED CC[C@@H](C)N(CCc1ccccc1F)Cc1ccc(CC#N)cc1 1657107706 TUTOFDLLZDZVRI-QGZVFWFLSA-N 324.443 4.735 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1cccc2ccoc12 1658259186 PLESFTIAQNQCHD-UHFFFAOYSA-N 304.393 4.715 30 20 DJED Cc1ccc([C@H]2[C@H](C)CCCN2Cc2cccc(F)c2C#N)cc1 1658339232 OSDBPNPEHIXKTH-IIBYNOLFSA-N 322.427 4.979 30 20 DJED Cc1ccc(-c2ccccc2CN2CCC[C@@H](C#N)C2)c(C)c1 1660682216 WRBWDUUPGBCKRL-SFHVURJKSA-N 304.437 4.706 30 20 DJED CCCc1ccc(/C=C\C(=O)c2cc(C(=O)O)ccc2C)cc1 1776832116 FAOARVJFIMLYIZ-BENRWUELSA-N 308.377 4.542 30 20 DJED CC1(C)OB(C23CC(c4ccsc4)(C2)[C@@H]3C2CC2)OC1(C)C 2090608772 XQNKBPSFBPJVIP-NNGSBXSVSA-N 316.275 4.652 30 20 DJED Cc1ccc(-c2nnc(SCc3ccccc3C#N)o2)cc1C 5230747 UGWICEKRCGNGOE-UHFFFAOYSA-N 321.405 4.517 30 20 DJED O=C1/C(=C/c2ccc(C(F)(F)F)cc2)CCc2cc(O)ccc21 60340101 YXBKGXWWSMADHV-UKTHLTGXSA-N 318.294 4.624 30 20 DJED COc1cc(CSc2ccc(C#N)cc2)ccc1SC 68051094 IBLUSNPNBWYKEU-UHFFFAOYSA-N 301.436 4.581 30 20 DJED N#Cc1ccc(SCc2csc(Cc3ccccc3)n2)cc1 110971490 DDYNWKMQGNOGJP-UHFFFAOYSA-N 322.458 4.898 30 20 DJED CC[C@H](S[C@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 156404826 REIBIRKXLDXAQL-KDOFPFPSSA-N 324.449 4.770 30 20 DJED N#Cc1ccc(C(=O)Nc2ccccc2-c2cccs2)cc1 198180958 PWDOQEXSIPDNTI-UHFFFAOYSA-N 304.374 4.539 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)C[C@@H]1CC[C@@H](C)C1 246483078 GSUPKAXRJXUNRB-RBSFLKMASA-N 316.470 4.703 30 20 DJED N#Cc1cccc(C(=O)/C=C\c2cccc(-c3cccnc3)c2)c1 255622451 FSJBUNWNUVCYFG-KTKRTIGZSA-N 310.356 4.516 30 20 DJED CC(C)[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 271859981 KEEIQGJTLRUEBC-OXJNMPFZSA-N 308.425 4.637 30 20 DJED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)CCCC#N 291781347 WXHZWKYVEXDBFU-MRXNPFEDSA-N 322.408 4.767 30 20 DJED CC(C)(C)c1ccc([C@@H]2CCCN2c2ccc(C#N)cn2)cc1 301119920 ZPKVPZAZLZRJDE-SFHVURJKSA-N 305.425 4.592 30 20 DJED CC(C)(C)[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(F)cc1 323089229 VYFQAEKIBDWSEN-GOSISDBHSA-N 314.379 4.713 30 20 DJED C=C(C)C(C)(C)C(=O)Nc1cccc(Br)c1Cl 425579288 HOJVSZRGSIHWBM-UHFFFAOYSA-N 316.626 4.643 30 20 DJED CC[C@H]1CC[C@H](C(=O)Nc2cccc(OCCCC#N)c2)CC1 438060462 QFQBLQNGMYTNCL-WKILWMFISA-N 314.429 4.524 30 20 DJED C=CC[C@H]1N(Cc2csc([C@H](C)OCC)n2)CCCC1(C)C 444776459 CCOWHTFNBXWFNF-GOEBONIOSA-N 322.518 4.807 30 20 DJED C=CC1CCN(C(=O)N[C@H](c2ccccc2)C2CCCC2)CC1 476168896 RTDWPZIAUCAFIF-LJQANCHMSA-N 312.457 4.526 30 20 DJED C=C(C)CS[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 477005955 ADBNZDRTWFVRHM-NSHDSACASA-N 308.834 4.684 30 20 DJED C=CCC1(C(=O)Nc2cccc(COC(C)(C)C)c2C)CCC1 479884588 NUQRNNQXRGDCDG-UHFFFAOYSA-N 315.457 4.995 30 20 DJED C=C(C)[C@H](N[C@@H](C)c1cccc(OC)c1)c1ccc(F)c(F)c1 480683138 QABXJWWMWBMFCY-DJJJIMSYSA-N 317.379 4.941 30 20 DJED C[C@H](C(=O)N(CCC#N)CC(C)(C)C)c1ccc2ccccc2c1 494307630 JWTLVGDYUNIZIN-INIZCTEOSA-N 322.452 4.732 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC(=O)C[C@H]1CCC[C@@H](C)C1 504056508 KCUFNBBLYBLPOO-CABCVRRESA-N 314.429 4.500 30 20 DJED Cc1cccc(C)c1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 505835392 WTLRKGJOOWDNJX-GOSISDBHSA-N 320.436 4.596 30 20 DJED CCN(C(=O)CCC(C)(C)c1ccccc1)c1ccc(C#N)cc1 513948893 SCVPJAWFJUXAPV-UHFFFAOYSA-N 320.436 4.669 30 20 DJED C=C(C)[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(F)c(F)c1 521694913 ASBKZONFAMWYQY-PMACEKPBSA-N 324.374 4.731 30 20 DJED N#Cc1ccc(/C=C\c2ccc(-c3c(F)cccc3F)o2)nc1 522326442 XWPUJWJKCOETPB-SREVYHEPSA-N 308.287 4.662 30 20 DJED C=C[C@H](CC(=O)N1CC[C@@H](c2ccc(F)cc2)C1)c1ccccc1 530312831 WBBBKMXKJGLFDA-VQIMIIECSA-N 323.411 4.502 30 20 DJED C=CCCC[C@@H](C)NC(=O)Nc1ccc2oc(C3CC3)nc2c1 538341762 JKKVCVNAVCLIBX-GFCCVEGCSA-N 313.401 4.572 30 20 DJED N#CCCCOc1cccc(N[C@@H]2CCCc3cc(F)ccc32)c1 539626902 GKYPPIGDKLZLEF-HXUWFJFHSA-N 324.399 4.998 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)CCC(C)(C)C 541584287 PNLZPILCBPOHOH-MRXNPFEDSA-N 314.473 4.758 30 20 DJED N#Cc1ccc(NC(=O)c2cccc(-c3ccoc3)c2)cc1Cl 568892128 OGVHDDSNRBUELJ-UHFFFAOYSA-N 322.751 4.724 30 20 DJED CC[C@@H](NC1(c2ccc(Cl)cc2)CC1)c1ccc(C#N)cc1 570896499 SPKDSZHXWKUXCJ-GOSISDBHSA-N 310.828 4.942 30 20 DJED CC[C@@H](NC1(c2ccccc2Cl)CC1)c1ccc(C#N)cc1 592391819 NLUWSGMESZHJSC-GOSISDBHSA-N 310.828 4.942 30 20 DJED C[C@@H](N[C@H]1CC(C)(C)Oc2ccc(F)cc21)c1ccc(C#N)cc1 593717600 DMEVIKHZRROVCS-ACJLOTCBSA-N 324.399 4.650 30 20 DJED C=CCN(CC=C)C(=O)Nc1ccc(C)c(OCCC(C)C)c1 606962685 JOKXRMSFQACGDY-UHFFFAOYSA-N 316.445 4.626 30 20 DJED C=CCC(C)(C)C(=O)N(C)Cc1ccc(Cl)cc1Cl 644790627 XUVCTMUJTLJDGZ-UHFFFAOYSA-N 300.229 4.554 30 20 DJED C=CCCC(=O)O[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 726650385 NYYSVPZHFGOOTN-OAHLLOKOSA-N 323.392 4.509 30 20 DJED FC(F)Oc1ccccc1C=NOCc1ccc(Cl)s1 727410751 SKUWYAYBWBIDNP-UHFFFAOYSA-N 317.744 4.554 30 20 DJED C[C@@H](CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C1CC1 731331602 LAOADANKTOQZCK-AWEZNQCLSA-N 320.392 4.725 30 20 DJED Cc1ccc(C(=O)/C=C\c2coc(-c3ccccc3)n2)cc1C 731835694 MWOIOAPMKZAIJV-KHPPLWFESA-N 303.361 4.855 30 20 DJED CS[C@@H]1CCC[C@H](/N=C/c2cc(Cl)cc(Cl)c2O)C1 735229075 QLNWWRLUMIDELX-UFEKZKASSA-N 318.269 4.792 30 20 DJED CC(/C=C\C(=O)c1cnn(-c2ccccc2)c1)=C/c1ccccc1 750911349 YYKHAKOWVOTWCB-WVPYDLLPSA-N 314.388 4.715 30 20 DJED C[C@H](CCC(C)(C)C)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 755582574 FPMDRGHODDPQME-ZBFHGGJFSA-N 308.425 4.873 30 20 DJED CCCn1c(-c2ccc(O[C@@H](C)C#N)cc2)nc2cc(F)ccc21 758455690 ZMRYKPIFHDCAGI-ZDUSSCGKSA-N 323.371 4.543 30 20 DJED Cc1cc(/C=C\C(=O)c2cccc(OC(F)F)c2)cnc1Cl 760262618 KHBBXSFQOZWGLL-WAYWQWQTSA-N 323.726 4.541 30 20 DJED C=CCC[C@H](N[C@H](C)c1ccc2c(c1)CCO2)c1ccccc1 773079232 XQSCWZMXWTUQQD-UZLBHIALSA-N 307.437 4.980 30 20 DJED Fc1cccc(C2CC(=NNc3ncc(Cl)cc3Cl)C2)c1 781582375 RMRVZSYKFNMVRP-UHFFFAOYSA-N 324.186 4.873 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)/C=C(/C)c1cccc(Cl)c1 787945370 JOCPDRKVXDCCLM-OWBHPGMISA-N 318.848 4.674 30 20 DJED CC(C)n1nccc1C=NN(c1ccccc1)c1ccccc1 794444871 GNVMQTOLQPRVTE-UHFFFAOYSA-N 304.397 4.636 30 20 DJED CC(C)c1ccccc1OC(=O)C[C@H](CC#N)c1ccccc1 796524733 PAHRWLYOGCYEHG-KRWDZBQOSA-N 307.393 4.803 30 20 DJED C=C(Cl)COc1ccc([C@@H](C)NCC(C)(C)CCC#N)cc1 806178379 SPVOIZUNWKYUPN-OAHLLOKOSA-N 320.864 4.798 30 20 DJED C=C(CNC(=S)Nc1ccc2ccccc2c1)c1ccccc1 806595075 RXMXCBYJKVKUKS-UHFFFAOYSA-N 318.445 4.840 30 20 DJED CC(=NNc1cccc2cnccc12)c1c(F)cccc1Cl 807970703 TXUMJUJYELYSSI-UHFFFAOYSA-N 313.763 4.863 30 20 DJED C#CC[C@@H](N[C@@H](C)c1nccc2ccccc12)c1ccccc1 810228932 OFYOLVGBWZFSMB-OXJNMPFZSA-N 300.405 4.650 30 20 DJED N#C[C@H](C(=O)C1(Cc2cccs2)CCCCC1)c1ccccn1 810528840 XSTQOERDVYYWIQ-INIZCTEOSA-N 324.449 4.513 30 20 DJED CSCc1cnc(/C=C2\C(=O)c3cccc(C)c3[C@H]2C)s1 834434130 BERJZFQQDPUSOX-ODYDIQAQSA-N 315.463 4.698 30 20 DJED CC(=NNc1ccccc1C(F)(F)F)c1c(F)cccc1F 916259817 MQNHLXYZYAYCGB-UHFFFAOYSA-N 314.257 4.820 30 20 DJED CC(C)c1cccc(-c2ccc(C(=O)NCC(C)(C)CC#N)o2)c1 1129696020 VFQSYRVBJQOQAR-UHFFFAOYSA-N 324.424 4.740 30 20 DJED Cc1c(Cl)cnc(N(C)[C@H]2CCC[C@@H]2C(C)(C)C)c1C#N 1163531144 OKQHDCHENOCLPS-ZFWWWQNUSA-N 305.853 4.566 30 20 DJED CCOc1ccc(C#N)cc1NCc1ccc(Cl)c(C)c1 1178900392 CDVNRVBHUMLGHS-UHFFFAOYSA-N 300.789 4.531 30 20 DJED Cc1nc(N[C@H]2CCC[C@@H](C(C)C)CC2)c(Cl)cc1C#N 1186195007 IUZQPZDNYAUDCS-HIFRSBDPSA-N 305.853 4.932 30 20 DJED N#Cc1ccc(CNc2nc3ccc(F)cc3s2)cc1Cl 1186248663 OAJNFJZDQAOINC-UHFFFAOYSA-N 317.776 4.573 30 20 DJED Cc1nsc(NCc2ccc(-c3cccs3)cc2)c1C#N 1186973473 JRLPXARELZZKAP-UHFFFAOYSA-N 311.435 4.664 30 20 DJED CC(C)Oc1ccc(COc2ccccc2C#N)cc1Cl 1225198639 IPUQFPRPKDJBAS-UHFFFAOYSA-N 301.773 4.578 30 20 DJED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)C1CCC(F)(F)CC1 1308826744 XWGVVYJZTSNBHI-FZKQIMNGSA-N 318.411 4.739 30 20 DJED CC[C@@H](C)Oc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1 1351436904 LVJNBWSFCPMNAR-OAHLLOKOSA-N 314.429 4.667 30 20 DJED CCc1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1CC 1354918358 IJORMRPZXSLILS-AWEZNQCLSA-N 307.393 4.601 30 20 DJED CCc1sc(C(=O)N(c2cccc(C#N)c2)C2CCC2)cc1C 1437670378 CQCGFCBHCPBBTK-UHFFFAOYSA-N 324.449 4.690 30 20 DJED COc1c(Oc2nc(C#N)c(Cl)s2)ccc2ccccc12 1472786688 SYXQTDBGZCXEKL-UHFFFAOYSA-N 316.769 4.622 30 20 DJED N#C[C@H]1CCC[C@@H](OC(=O)c2ccccc2Oc2ccccc2)C1 1525049825 YTMRZTJOSNLNEZ-DOTOQJQBSA-N 321.376 4.718 30 20 DJED CCC(CC)[C@H](NC(=O)c1cc(C#N)cs1)c1ccccc1 1526620806 DUKOVKCBEFVQRF-KRWDZBQOSA-N 312.438 4.527 30 20 DJED N#Cc1ccc(CNC(=O)CCCC2CCCCC2)cc1Cl 1530277340 BJVSDHZMJDLEET-UHFFFAOYSA-N 318.848 4.578 30 20 DJED CCN(C(=O)c1cccc(C(C)C)c1)[C@H](C)c1ccc(C#N)cc1 1533973938 ORUADHAAHRVUPK-MRXNPFEDSA-N 320.436 4.905 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(C3CCCCC3)cc2)C1 1535479560 UEDSSIKIGTYKTE-BEFAXECRSA-N 311.425 4.973 30 20 DJED CCN(C(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(F)c(C)c1 1537535437 CAIIDIGDGJLCEM-QGZVFWFLSA-N 324.399 4.575 30 20 DJED Cc1ccc(CN(CC(C)C)c2ccc(C#N)c(C)n2)c(C)c1 1559219814 BUIXSOLQPBGIBA-UHFFFAOYSA-N 307.441 4.541 30 20 DJED N#Cc1cccc(CN2CCCC[C@H]2CCCc2ccccc2)c1 1559669543 IRWBCWUJCNIWJG-QFIPXVFZSA-N 318.464 4.936 30 20 DJED CCC[C@@H](NCc1cc(C#N)ccc1Br)C(C)(C)C 1559843742 NEYRLRSPDOSKQH-OAHLLOKOSA-N 323.278 4.625 30 20 DJED CC(C)c1ccc(NC(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 1562633459 HHUXRZZWSJSQHV-UHFFFAOYSA-N 324.428 4.882 30 20 DJED CCC(CC)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1585707697 FNTVINHPPLJWSK-UHFFFAOYSA-N 308.381 4.725 30 20 DJED N#CCC[C@@H](Nc1nc(Cl)nc2ccccc12)c1ccccc1 1612161135 HULVROLJNASFTP-OAHLLOKOSA-N 322.799 4.740 30 20 DJED C[C@@H](CN(C)c1nc(C(C)(C)C)ccc1C#N)C1CCCCC1 1643040637 ZPTSZYIZCSEDTO-HNNXBMFYSA-N 313.489 4.903 30 20 DJED CC(C)(C)C[C@@H]1CCN(Cc2ccc(F)cc2C#N)C1(C)C 1643394069 SWSXZGWOAZUJLT-INIZCTEOSA-N 302.437 4.734 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H]2CC[C@H](C)C2)n1 1643600782 ZLAGCGIAPHGDCY-WPRPVWTQSA-N 300.349 4.561 30 20 DJED N#Cc1ccc(CN2Cc3ccccc3-c3ccccc32)s1 1643622184 FMZWKGDXQJVDJA-UHFFFAOYSA-N 302.402 4.807 30 20 DJED CC[C@@H](Cc1ccc(C)cc1)N(CC)Cc1cccc(C#N)c1 1644687765 HQGSOLBSUMAYSM-NRFANRHFSA-N 306.453 4.710 30 20 DJED Cc1cc(SCc2nc(C(F)(F)F)cs2)ccc1C#N 1652912780 VHHXWIZKCQWJCW-UHFFFAOYSA-N 314.357 4.634 30 20 DJED Cc1cccc(Cl)c1CN(Cc1ccc(C#N)cc1)C(C)C 1653248887 YQMNCLXFLSKTLG-UHFFFAOYSA-N 312.844 4.931 30 20 DJED C[C@@H]1CN(c2c(Br)cccc2C#N)c2ccccc21 1655591887 XGTKLORBVAZAGK-LLVKDONJSA-N 313.198 4.576 30 20 DJED N#Cc1cccc(CN2CCC[C@@H]2c2nc3ccccc3s2)c1 30965235 YQOPVZSTXNQEMN-QGZVFWFLSA-N 319.433 4.505 30 20 DJED CCCCCCCC(=O)Nc1ccc(F)cc1Br 59082578 MDBCFBGUKXOSAC-UHFFFAOYSA-N 316.214 4.887 30 20 DJED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(C)C)cc1 62904434 RMKYIFPBDXCBAA-UHFFFAOYSA-N 318.420 4.510 30 20 DJED C=C[C@H](CC(=O)N(c1ccccn1)C1CCCC1)c1ccccc1 90124366 SWQKKRODJYRGQN-QGZVFWFLSA-N 320.436 4.717 30 20 DJED CC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cc(C)ccc1OC 93401126 LDFFELALMPVTKI-BEFAXECRSA-N 308.425 4.677 30 20 DJED CC[C@@H](C)CSCC(=O)c1cn(CCC#N)c2ccccc12 124395438 RPZUYLXGNRGEAM-CQSZACIVSA-N 314.454 4.517 30 20 DJED N#Cc1ccc(CN[C@H](c2cccc(F)c2)C2CCCC2)s1 154474645 QCPBJNAODIOSNZ-SFHVURJKSA-N 314.429 4.780 30 20 DJED CC[C@@H](NCc1ccc(C#N)cc1F)c1cccc(Cl)c1 173395599 VTQIRRQJHRAFIH-QGZVFWFLSA-N 302.780 4.592 30 20 DJED CC(C)n1ncc2ccc(N[C@H](C)c3cccc(C#N)c3)cc21 183004969 VPVVYVNMVDPMJK-CQSZACIVSA-N 304.397 4.662 30 20 DJED C#CCCCCC(=O)Nc1cccnc1-c1ccc(Cl)s1 187131007 UYWYAJHOGLZGHG-UHFFFAOYSA-N 318.829 4.596 30 20 DJED CCCCCCCC(=O)Nc1ccc2cnn(C(C)C)c2c1 195743552 HXCAHTNGKFVMIP-UHFFFAOYSA-N 301.434 4.916 30 20 DJED C#CCCCCC(=O)N1CCC[C@@H]1c1cccc2ccccc12 271376790 PSEIFIAPKCVWOL-HXUWFJFHSA-N 305.421 4.697 30 20 DJED Cc1ccc(-c2nnc(SCCCCC(C)(C)C#N)o2)cc1 277727895 OWZLOFHVWIHKAN-UHFFFAOYSA-N 315.442 4.857 30 20 DJED CSc1ccccc1[C@@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 281919420 AKGRBMLNPVNCGP-CHWSQXEVSA-N 314.429 4.831 30 20 DJED C[C@@H](c1ccccc1)N(C(=O)Nc1ccc(CC#N)cc1)C1CC1 287212210 XAFIVMDPZPPMML-HNNXBMFYSA-N 319.408 4.510 30 20 DJED C[C@@H](Nc1ncc(-c2ccccc2)s1)c1ccc(C#N)cc1 301522631 ODSRMQMHIKRTJN-CYBMUJFWSA-N 305.406 4.855 30 20 DJED N#Cc1ccc(C(F)(F)F)c(N2CCC[C@H]2c2cccs2)c1 302233595 GCLQCFLLMHRXTR-ZDUSSCGKSA-N 322.355 4.980 30 20 DJED N#Cc1ccnc(SCCCSc2ccccc2Cl)c1 303232673 WAPSAZGHTXANQR-UHFFFAOYSA-N 320.870 4.881 30 20 DJED C[C@@H](/N=C(/O)C1(C2CCCCC2)CCCCC1)c1cn[nH]c1 329935073 KDKLBKZHHMVTDY-CQSZACIVSA-N 303.450 4.958 30 20 DJED N#Cc1ccc(NCc2csc(C3CC3)n2)cc1C(F)(F)F 340130081 QBSUSFHBNBDTAV-UHFFFAOYSA-N 323.343 4.523 30 20 DJED C=CC[C@H]1N(C(=O)Nc2cccc(C)c2F)CCCC1(C)C 444930422 CIWRYCVDYSGVBV-OAHLLOKOSA-N 304.409 4.733 30 20 DJED C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)[C@@H](C)c1ccccc1C(F)(F)F 463241820 DLTNAFXYVNGIKF-LXTVHRRPSA-N 324.390 4.869 30 20 DJED C=CCOc1ccccc1CN[C@@H](C)c1csc(Cl)c1 468836208 FRHALBRAZZFJQT-LBPRGKRZSA-N 307.846 4.817 30 20 DJED C=C(C)[C@H](NCCCCOC(C)(C)C)c1ccc(F)c(F)c1 475314500 QYUPSWHTKIODJI-KRWDZBQOSA-N 311.416 4.767 30 20 DJED C=CCCCC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 479623031 WLWXRLZHHWPZQG-UHFFFAOYSA-N 306.365 4.645 30 20 DJED Cc1nc(CSCc2ccccc2C(C)(C)C#N)sc1C 486730410 CYLVYTQFSDNWNI-UHFFFAOYSA-N 316.495 4.995 30 20 DJED C=CCN(CCc1ccco1)C(=O)Nc1cccc(Cl)c1C 491380519 NKPDGQBXAAMZGF-UHFFFAOYSA-N 318.804 4.504 30 20 DJED Cc1occc1SCc1cc(C#N)ccc1Br 491974019 AFJFNLWRTRLAQD-UHFFFAOYSA-N 308.200 4.515 30 20 DJED C=CCN(CCc1ccco1)C(=O)Nc1cc(C)ccc1Cl 493926043 ONFBXTRWRXSBGM-UHFFFAOYSA-N 318.804 4.504 30 20 DJED CCN(Cc1nc2ccccc2s1)[C@H](C)c1ccc(C#N)cc1 497593924 MSJDJAYLDSEZRQ-CQSZACIVSA-N 321.449 4.751 30 20 DJED C[C@@H](Nc1c(F)cc(C#N)cc1F)c1ccccc1OC(F)F 500541523 VTOJASUBTCIHQQ-SECBINFHSA-N 324.277 4.611 30 20 DJED CC(C)c1ccc(NC(=O)Cc2ccc(C#N)cc2)c(C(C)C)c1 505051115 OBFQGMGDOSQURO-UHFFFAOYSA-N 320.436 4.986 30 20 DJED COc1cc(C#N)ccc1CN[C@H](c1ccccc1C)C(C)(C)C 537157240 VJAYZTZDDPLNRO-HXUWFJFHSA-N 322.452 4.752 30 20 DJED CC(C)(C#N)CC[S@@](=O)Cc1ccc(C2CCCCC2)cc1 552010691 ZZRRFLYAUWXYKL-JOCHJYFZSA-N 317.498 4.923 30 20 DJED CCNc1ccc(C#N)cc1NC(=O)CC[C@@H](C)c1ccccc1 552109496 YLNRQTDBCPLLPM-OAHLLOKOSA-N 321.424 4.512 30 20 DJED C=CCCC(=O)Nc1ccc(Sc2nc(C)cs2)cc1C 588372873 GPXWAPRAFUQSFA-UHFFFAOYSA-N 318.467 4.816 30 20 DJED N#Cc1ccc2c(c1)[C@H](NC[C@H]1CCC[C@@H](C(F)(F)F)C1)CC2 589340489 FOIIOIWURLWXKB-YSVLISHTSA-N 322.374 4.504 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc([C@H]2CCOC2)cc1 590262204 QJVCTVOGLXMJPY-RXVVDRJESA-N 318.420 4.552 30 20 DJED N#CC[C@@H]1CCCN(C(=O)N(c2ccccc2)c2ccccc2)C1 594802561 QAUHGWZMXJVPMG-KRWDZBQOSA-N 319.408 4.570 30 20 DJED CC[C@@H](NC1(c2cccc(OC)c2)CCC1)c1ccc(C#N)cc1 595092930 BGKTXXQRKBNBMR-HXUWFJFHSA-N 320.436 4.687 30 20 DJED C=CCOc1ccccc1CNC(=O)Nc1cccc(C(C)C)c1 601093789 VPUAXTCEIDWIAF-UHFFFAOYSA-N 324.424 4.697 30 20 DJED C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1c1cccc2ccccc12 604900784 JTBKEXGFZSKSEX-DNVCBOLYSA-N 308.425 4.651 30 20 DJED C=CCCCSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 605076428 FCEBONBYZVCXPL-UHFFFAOYSA-N 324.453 4.820 30 20 DJED C=CCOc1ccc(CNCc2ccccc2CC)cc1Cl 607166856 IIYDLXQAMHEYBM-UHFFFAOYSA-N 315.844 4.757 30 20 DJED CC[C@H](C)[C@H](C(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 610362611 QKDINEAOECPENE-FTRWYGJKSA-N 320.436 4.565 30 20 DJED N#C[C@H](Cc1ccccc1)Nc1ccccc1CCC(F)(F)F 610680942 MZTSAAIXBXHINR-INIZCTEOSA-N 318.342 4.728 30 20 DJED C=CCC[C@@H](NC(=O)N1CCC(F)(F)C[C@H]1C)c1ccccc1 623785786 KCNKDYDUVCQGNE-GDBMZVCRSA-N 322.399 4.523 30 20 DJED C#Cc1cccc(NC(=S)N(c2ccccc2)C2CCCC2)c1 731160335 VOXGHVVLADKIKS-UHFFFAOYSA-N 320.461 4.814 30 20 DJED CCc1ccc(C(C)=NNc2ncc(Cl)cc2Cl)s1 744738790 LMZPUOQJJGZSAS-UHFFFAOYSA-N 314.241 4.848 30 20 DJED CC1(C)/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)c2ccccc21 750912472 GBLDDCXYVKMXIH-DGRUYDBLSA-N 319.360 4.709 30 20 DJED CC[C@H](C#N)Oc1cccc(CNc2ncc(C(C)C)s2)c1 754029150 HNPPVBSFQQANBS-CQSZACIVSA-N 315.442 4.560 30 20 DJED COCc1cccc(/C=C\C(=O)c2cc3ccc(C)cc3o2)c1 754829977 OHPRNUYOSVYSJW-CLFYSBASSA-N 306.361 4.784 30 20 DJED Cc1cc(/C=C\C(=O)c2c(C)[nH]c3ccccc23)cnc1Cl 760265059 VFBPCERIBOWNMA-FPLPWBNLSA-N 310.784 4.729 30 20 DJED C[C@H](CC(=O)OCCCCC(C)(C)C#N)c1ccccc1F 768673572 SUBKSBZKLIGTTD-CQSZACIVSA-N 305.393 4.583 30 20 DJED O=C(/C=C\c1cnc(-c2cccs2)s1)c1sccc1O 773148003 GEHASDXAJGTYAJ-ARJAWSKDSA-N 319.432 4.535 30 20 DJED C=CC[C@@H](C(=O)Oc1cccc2ncccc12)c1ccccc1 777517393 QFPRTIVHKJJCKW-MRXNPFEDSA-N 303.361 4.500 30 20 DJED CCc1ccccc1NN=C(C)CCc1n[nH]c2ccccc12 782225298 KSVMLDRGNIHBNW-UHFFFAOYSA-N 306.413 4.546 30 20 DJED C=CCCN(C)Cc1cc2ccc(SC)cc2nc1Cl 786445135 MSQQYAHTNIKSJQ-UHFFFAOYSA-N 306.862 4.618 30 20 DJED O=C(/C=C\c1ccnc(Cl)c1Cl)c1ccc(Cl)s1 791434156 IKAATSYGXYHYHT-UPHRSURJSA-N 318.612 4.999 30 20 DJED CCCCCCCCNC(=O)Nc1cnn([C@H](C)CC)c1C 792478715 QJCILAIVWVASOS-CQSZACIVSA-N 308.470 4.645 30 20 DJED C=CCC[C@H](NCc1cc(C)nc(Cl)c1)c1ccccc1 797600861 GOHRLIQPKRKEKO-KRWDZBQOSA-N 300.833 4.841 30 20 DJED Cc1ccc(/C=C/C(=O)c2sccc2C)c(-c2cnn(C)c2)c1 802706021 ZSYFZCSEPULCOW-VOTSOKGWSA-N 322.433 4.662 30 20 DJED CC[C@H](Nc1nc(Cl)c(C#N)s1)c1ccc(F)cc1F 804468586 TWZRQXLPRRZLLK-JTQLQIEISA-N 313.760 4.510 30 20 DJED C=CCCCCCCN[C@@H](C)c1ncc(Br)s1 806167573 AHMZZPCUYCOBCW-NSHDSACASA-N 317.296 4.693 30 20 DJED C[C@@H]1/C(=C/c2csc(-c3ccccn3)n2)C(=O)c2ccccc21 809158265 ZQGIBZIYXHOHSK-KPENOIPVSA-N 318.401 4.589 30 20 DJED C=CCC(F)(F)C(=O)N1CCC[C@H](C)[C@H]1c1ccc(C)cc1 815667288 DQTIZEBHQWJDOW-HOCLYGCPSA-N 307.384 4.506 30 20 DJED Clc1ccc(CON=Cc2ccc(Br)cc2)cc1 823366483 JPHGORHXESKZPN-UHFFFAOYSA-N 324.605 4.653 30 20 DJED Cc1ccc(C(=O)/C=C/C(=O)Nc2ccc3ccccc3c2)cc1 899913191 CBTXTODZJZSJID-OUKQBFOZSA-N 315.372 4.526 30 20 DJED C[C@H]1CCCc2ccccc2[C@H]1Nc1ccc(Cl)c(C#N)n1 1163006765 XNHSAGLXLXUKQX-SGTLLEGYSA-N 311.816 4.732 30 20 DJED CC(C)CCN(CCC#N)Cc1cc(Cl)sc1Cl 1167559003 WSGDUMFXYIGUCV-UHFFFAOYSA-N 305.274 4.817 30 20 DJED N#Cc1ccc(CN(Cc2ccc(F)c(Cl)c2)C2CC2)cc1 1168423419 JOXSABJVDAQSKM-UHFFFAOYSA-N 314.791 4.515 30 20 DJED Cc1ccnc(N(C)[C@@H](C)c2ccc(Cl)c(Cl)c2)c1C#N 1185081913 VPXCCWZBQKPBCU-NSHDSACASA-N 320.223 4.766 30 20 DJED CC(C)CC(CC(C)C)C(=O)N(CCC#N)c1ccc(F)cc1 1292896578 AEBUTAITINZIID-UHFFFAOYSA-N 318.436 4.781 30 20 DJED C[C@H]1CCN(C(=O)[C@@H](CC#N)c2ccccc2)CC12CCCCC2 1296746910 XHKCLNNMDRQVEV-HKUYNNGSSA-N 324.468 4.503 30 20 DJED CC(C)[C@H](Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 1322343052 NXTQIKKLRHZWLF-SFHVURJKSA-N 317.392 4.591 30 20 DJED N#Cc1ccsc1NC(=O)c1ccc2c(c1)oc1ccccc12 1342843858 RJIJQIREVBHZMB-UHFFFAOYSA-N 318.357 4.771 30 20 DJED Cc1c(Cl)cc(NC(=O)c2ccccc2CC#N)cc1Cl 1450682499 GRVOQFIILSTCCI-UHFFFAOYSA-N 319.191 4.620 30 20 DJED Cc1ccc(OC(F)F)c(COc2ccc(C#N)c(Cl)c2)c1 1473018377 AUGKWPFLAPVFHM-UHFFFAOYSA-N 323.726 4.701 30 20 DJED N#CCC1(CN2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 1473165784 GYUXQPJGXVPXFK-QGZVFWFLSA-N 302.849 4.951 30 20 DJED C[C@@H](CCC1CCCCC1)NC(=O)Nc1cc(F)cc(C#N)c1 1476982126 PAPRWIANBYGKLC-ZDUSSCGKSA-N 317.408 4.568 30 20 DJED Cc1ccc(C#N)cc1C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 1529201582 OKESGNQQKQFWSY-IAGOWNOFSA-N 312.457 4.592 30 20 DJED CCC1(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCCC1 1533754926 MSAFLIJLGKZVMO-UHFFFAOYSA-N 314.429 4.644 30 20 DJED Cc1ccccc1[C@@H](C)C(=O)N(c1cccc(C#N)c1)C1CCC1 1538998264 RBNMXYBSQUKUJB-MRXNPFEDSA-N 318.420 4.556 30 20 DJED C[C@@H]1CCCN(C(=O)Nc2sccc2C#N)c2ccccc21 1563024512 MRLNKCYXOQJNJT-GFCCVEGCSA-N 311.410 4.556 30 20 DJED C[C@@H]1CCc2sc(NC(=O)CCCC3CC3)c(C#N)c2[C@@H]1C 1584029803 XPNNAOBGIHRUAK-VXGBXAGGSA-N 316.470 4.824 30 20 DJED CC(C)c1cc(N(C)[C@@H](C)c2cccc(C#N)c2)nc(C(C)C)n1 1612516240 IQOIYDNRVQBUPG-HNNXBMFYSA-N 322.456 4.792 30 20 DJED Cc1ccc2ncc(C#N)c(OCc3cc4ccccc4o3)c2c1 1613817901 YJQHXBNCKUOLIH-UHFFFAOYSA-N 314.344 4.740 30 20 DJED CC[C@@H](C#N)C(=O)Nc1cccc(Oc2ccc(C)cc2C)c1 1632431239 UTLPGEGMNUJWMK-HNNXBMFYSA-N 308.381 4.584 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1CC2(CCC2)c2c(F)cccc21 1644788583 VQOYIYNRYHIBLY-AWEZNQCLSA-N 306.384 4.700 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@H]1CNc1c(C#N)nnc2ccccc12 1651459559 IWTYZVORGKGLLP-GOEBONIOSA-N 322.456 4.766 30 20 DJED Cc1cccc(C2(CNc3c(C#N)cccc3C#N)CCCC2)c1 1651462989 ZAXVMZLPEODCQR-UHFFFAOYSA-N 315.420 4.662 30 20 DJED C[C@@H](CNc1cc(F)cc(C#N)c1)c1ccc(C(F)(F)F)cc1 1652960559 WWRIBNWRUXIEQB-NSHDSACASA-N 322.305 4.932 30 20 DJED C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C1CCOCC1 1656284688 KHZHUNONDDQYTJ-CQSZACIVSA-N 324.449 4.527 30 20 DJED CCC(C)(C)c1ccc(CN(CCC#N)Cc2ccco2)cc1 1657466888 PZTRIYCLSAYLGM-UHFFFAOYSA-N 310.441 4.883 30 20 DJED CC1(C)CC[C@@H](CNCc2cc(C#N)cs2)c2ccccc21 1657577036 VCVDDNCHHIBQRC-HNNXBMFYSA-N 310.466 4.565 30 20 DJED CCC[C@H](CNCc1ccc(C#N)c(Cl)c1)c1ccccc1 1662304815 YQIVKDOWAZHFER-GOSISDBHSA-N 312.844 4.885 30 20 DJED CCCCN(C(=O)Nc1sccc1C#N)[C@@H]1CCC[C@@H](C)C1 1663159895 SMUZGXIZOBOWEI-UKRRQHHQSA-N 319.474 4.832 30 20 DJED CCC[C@H](C)CCCC(C)=NNc1ccc(F)c(C(=O)O)c1 1776063636 AAMJGTHSWSUMMU-LBPRGKRZSA-N 308.397 4.918 30 20 DJED O=C(O)c1ccc(/C=C\C(=O)c2ccc(Cl)cc2)c(Cl)c1 1776115168 PFLFGHQMNMNRPF-YVMONPNESA-N 321.159 4.588 30 20 DJED C[C@H](N[C@@H](C)c1ccc(F)c(Cl)c1)c1ccc(C#N)cc1 36991799 CEBDSASUVWPUMX-RYUDHWBXSA-N 302.780 4.763 30 20 DJED CCOc1ccc(/C=C/C(=O)c2ccc(Cl)s2)cc1OC 58732815 UILPPVCZZANBRB-GQCTYLIASA-N 322.813 4.705 30 20 DJED CC(C)Oc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 78968503 UJAVHPTXOYSZOK-JKSUJKDBSA-N 308.425 4.757 30 20 DJED N#Cc1cccc(CNc2ccccc2SCC(F)(F)F)c1 78973228 OVMBYXCQBCEKKS-UHFFFAOYSA-N 322.355 4.825 30 20 DJED C[C@H](N[C@H](C)c1ccccc1C(F)(F)F)c1ccc(C#N)cc1 121840361 SASYDKQTCLPVFI-QWHCGFSZSA-N 318.342 4.989 30 20 DJED CC(C)c1nc([C@H](C)N[C@@H](CCC#N)c2ccccc2)cs1 186427823 OLBTUQYQLFRKRF-HOCLYGCPSA-N 313.470 4.962 30 20 DJED C=CCC[C@H](C(=O)Nc1cccc(COC)c1)c1ccccc1 186583854 DVBMGZCJJPWCBC-IBGZPJMESA-N 309.409 4.522 30 20 DJED C#CCCCC(=O)N(C1CC1)[C@@H](C)c1ccc2ccccc2c1 192224269 LYXSEZRWMKCUKU-INIZCTEOSA-N 305.421 4.695 30 20 DJED CC(C)c1oc([C@@H]2CCCN2CCC#N)nc1-c1ccccc1 266881149 AHQMUPYNBIPGFA-INIZCTEOSA-N 309.413 4.516 30 20 DJED N#Cc1cc(F)ccc1CN(Cc1ccoc1)C1CCCCC1 303924395 PIOKBYDFOOIBEF-UHFFFAOYSA-N 312.388 4.625 30 20 DJED OC1=NCc2cccc(N=C(O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)c21 329024490 UWGLOABTPYRIOT-VHDGCEQUSA-N 312.413 4.699 30 20 DJED C[C@@H](CCc1cccc(F)c1)N[C@@H](CCC#N)c1ccccc1 358336088 CEJUPIRKXAVFDR-JXFKEZNVSA-N 310.416 4.781 30 20 DJED CC[C@H](N[C@@H]1CCCc2ccc(F)cc21)c1ccc(C#N)cc1 359026071 DSPMLDZLFVJQRA-VQTJNVASSA-N 308.400 4.816 30 20 DJED CC(C)CC1(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 440488853 SDYXFHRZYQRFCW-AWEZNQCLSA-N 316.470 4.703 30 20 DJED C[C@@H]1C[C@H](c2ccccc2F)N(CCCCC(C)(C)C#N)C1 444652651 SDPAVRPCZWJCQD-CRAIPNDOSA-N 302.437 4.929 30 20 DJED C=CCOc1cccc(CNC[C@@H](C)Sc2ccccc2)c1 462743885 UONXQIRFNBOEPW-MRXNPFEDSA-N 313.466 4.522 30 20 DJED C=C(C)CN(CC)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C 466153677 RBVHJIFWHVQMFM-IAOVAPTHSA-N 320.864 4.645 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(F)ccc1C 471137403 PUOMRKQJZZRCIR-UHFFFAOYSA-N 312.388 4.744 30 20 DJED CCCc1cccc(C(C)C)c1NC(=O)c1ccc(C#N)s1 472667264 BXRWHSMHDSJWSQ-UHFFFAOYSA-N 312.438 4.948 30 20 DJED C=CCCC1(C(=O)Nc2cc(C(=O)CC)ccc2Cl)CC1 484285483 BSMCDVIBYBIYBT-UHFFFAOYSA-N 305.805 4.618 30 20 DJED CCCCN(C(=O)c1ccc(C#N)s1)[C@H](C)c1ccccc1 486865430 GTFFYFYOZPRWPX-CQSZACIVSA-N 312.438 4.623 30 20 DJED CC(C)(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C1CC1 488179401 KMDORKDOWBAOEI-UHFFFAOYSA-N 320.392 4.725 30 20 DJED C=CCCCCCNC(C)(C)c1nc(C(F)(F)F)cs1 488247945 LXMMPHWYVUKOTK-UHFFFAOYSA-N 306.397 4.733 30 20 DJED C=C(C)COc1cc(/C=C\c2nc3ccccc3o2)ccc1OC 489161847 LKJBDEFENKBATJ-LUAWRHEFSA-N 321.376 4.962 30 20 DJED C=CCC(C)(C)CNC(=O)c1ccccc1-c1ccccc1C#N 490039543 NYEICIIVEQKOFQ-UHFFFAOYSA-N 318.420 4.557 30 20 DJED C=C(C)COc1cccc(NC(=O)[C@@H](CCC)c2ccccn2)c1 495252406 ALCCEOCCSXFPRG-SFHVURJKSA-N 324.424 4.559 30 20 DJED C=C(C)COc1cccc(NC(=O)Nc2cccc(C)c2C)c1 502426215 RIVJOJTXMUTSGM-UHFFFAOYSA-N 310.397 4.902 30 20 DJED CCC(C)(C)CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 505351122 RKXFMOGCLCGBAF-LBPRGKRZSA-N 313.228 4.501 30 20 DJED CC(C)Sc1ccc(CSc2ccc(C#N)cn2)cc1 511885966 GEXUESNWZABDRU-UHFFFAOYSA-N 300.452 4.746 30 20 DJED N#Cc1ccc(CNCC2(Sc3ccccc3)CCCC2)cc1 520993883 XPAFYIMKJIIJRP-UHFFFAOYSA-N 322.477 4.753 30 20 DJED N#Cc1cccc(C[S@@](=O)c2ccc(C3CCCCC3)cc2)c1 521709547 YLDURXCUOWCDFP-HSZRJFAPSA-N 323.461 4.914 30 20 DJED C[C@@H](NCc1ccc(-c2ccccc2)o1)c1cccc(C#N)c1 538396842 FGHDVHMXEHKLMP-OAHLLOKOSA-N 302.377 4.669 30 20 DJED C=CC[C@H](C)N[C@H](C)c1sc(Cc2ccccc2)nc1C 539071295 INPFPBFNUMSGMG-UONOGXRCSA-N 300.471 4.658 30 20 DJED C=CCCO[C@@H](C)c1nc(-c2ccc(Cl)c(Cl)c2)no1 546236816 DAFYXRLFSWSDIB-VIFPVBQESA-N 313.184 4.697 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cc2ccccc2s1 559879198 ZQMAXLDNJUDCIN-IBGZPJMESA-N 318.445 4.940 30 20 DJED Cc1csc(NC(=O)c2cc3cccc(C)c3s2)c1C#N 564187974 CUUNBDPUEFLWSZ-UHFFFAOYSA-N 312.419 4.704 30 20 DJED Cc1ncc([C@@H](C)Nc2ccc(C#N)c(C(F)(F)F)c2)s1 601228700 SMWAIYKZTVIFJK-MRVPVSSYSA-N 311.332 4.515 30 20 DJED C=CCCSCC(=O)Nc1cccc(Oc2ccccc2)c1 610092752 WOSDZCRUVIQZPM-UHFFFAOYSA-N 313.422 4.727 30 20 DJED Cc1ccccc1C1CC(N(Cc2ccc(C#N)cc2)C2CC2)C1 610217604 PBWGXHRGZQPYKP-UHFFFAOYSA-N 316.448 4.777 30 20 DJED CC(C)C[C@H](C(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 610363513 XVGYZSIXJFZFIY-JXFKEZNVSA-N 320.436 4.565 30 20 DJED C[C@@H](NCc1ccc(F)c(C(F)(F)F)c1)c1cccc(C#N)c1 611119198 NNZUIKLTCPMJBN-LLVKDONJSA-N 322.305 4.567 30 20 DJED N#Cc1ccc(C2=CCN(Cc3coc4ccccc34)CC2)cc1 611287736 PORMDZWFDDHUAK-UHFFFAOYSA-N 314.388 4.594 30 20 DJED CC[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cc(F)ccc1F 618803004 GKIYHUURGFMKFK-MOPGFXCFSA-N 312.363 4.565 30 20 DJED N#Cc1ccc(CN[C@H]2CCc3ccc(Cl)cc32)cc1Cl 619746951 WGVGGYGABMEZAT-KRWDZBQOSA-N 317.219 4.642 30 20 DJED C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1Cl 619755919 ZAEPSHHDIIKUEB-JTQLQIEISA-N 323.198 4.855 30 20 DJED COc1cccc(NN=C(C)c2cc3cc(Cl)ccc3o2)c1 725855513 YJKQMYXDOIUZAC-UHFFFAOYSA-N 314.772 4.931 30 20 DJED CC(=NNc1cccc(Cl)c1F)c1ccc(C)c(C)c1O 728157556 ZLEGUTKNQDQJPA-UHFFFAOYSA-N 306.768 4.638 30 20 DJED O=C1/C(=C\c2ccc(C(F)(F)F)cc2)COc2ccc(F)cc21 731565128 FTIVLUYGGBMUIN-XFFZJAGNSA-N 322.257 4.503 30 20 DJED N#Cc1ccc(OC(=O)C2(Sc3ccccc3)CCCC2)cc1 731954875 USELQWOQNPUICD-UHFFFAOYSA-N 323.417 4.569 30 20 DJED CC[C@@H](Cc1ccccc1)C(=O)N(CCC#N)c1ccc(C)cc1 732755480 AVKUQRKUKXCDLZ-IBGZPJMESA-N 320.436 4.511 30 20 DJED C[C@@H](/N=C/c1cc(Cl)ccc1O)c1nc2ccccc2s1 734097119 YVDPKQNNODZBCU-SVXRXWARSA-N 316.813 4.835 30 20 DJED C[C@H](OC(=O)c1sccc1C#N)c1cccc2ccccc12 748096732 NHMIOWZDXDDWAV-LBPRGKRZSA-N 307.374 4.691 30 20 DJED CCCn1nc(C)c(C=NNc2cccc3ccccc23)c1C 755678974 AOONNHNOAVNIGW-UHFFFAOYSA-N 306.413 4.509 30 20 DJED N#Cc1cccc(C(=O)/C=C\c2ccc(C(F)(F)F)s2)c1 761476385 HNWANZYLAMZWNL-XQRVVYSFSA-N 307.296 4.535 30 20 DJED C#CC[C@H](N[C@@H](C)c1cnc2ccsc2c1)c1ccccc1 773116991 SNIYVIHFHYXTSL-YOEHRIQHSA-N 306.434 4.712 30 20 DJED CC(CCCC(F)(F)F)=NNc1nc(C(F)(F)F)cs1 774389957 YXTGEAAKBPCIGZ-UHFFFAOYSA-N 319.274 4.682 30 20 DJED COc1ccc2cc(C(C)=NOCCC(F)(F)F)ccc2c1 777462788 MHVNGQZCZRPUPR-UHFFFAOYSA-N 311.303 4.541 30 20 DJED CCOc1cccc(/C=N\[C@H](CC(C)(C)C)C(F)(F)F)c1O 777873555 OLQPLGCHJVTTQQ-CFFVULROSA-N 317.351 4.577 30 20 DJED C[C@@H](C#N)Oc1ccccc1NC/C=C\c1ccc(Cl)cc1 779988821 JTJXXJSFHMINPP-WSNITJDQSA-N 312.800 4.756 30 20 DJED CC(C)(C#N)CCCCOC(=O)c1ccc(C(C)(F)F)cc1 796270348 WRSZFTSIAUFCDC-UHFFFAOYSA-N 309.356 4.675 30 20 DJED C#Cc1cccc(NC(=S)N(CC)c2ccccc2Cl)c1 799507321 APOGZOQLWDLPCK-UHFFFAOYSA-N 314.841 4.545 30 20 DJED C#Cc1cc(F)c(NCc2ncc(-c3ccc(C)cc3)o2)c(F)c1 802746036 ZHCIBWXSBXSLDC-UHFFFAOYSA-N 324.330 4.522 30 20 DJED C=CC[C@@H](N[C@@H](C)c1cc(Cl)cc(C)c1O)c1ccncc1 808695797 KIIOYAVWLXEWOC-SUMWQHHRSA-N 316.832 4.717 30 20 DJED CCCOc1ccc(C(=O)/C=C\c2ccc3oncc3c2)cc1 821031405 JLBKPWCKSKKYNI-OQFOIZHKSA-N 307.349 4.513 30 20 DJED CC(C)CC(CC(C)C)C(=O)Nc1ccccc1O[C@@H](C)C#N 828833064 BGLQSUXGAQLQLM-HNNXBMFYSA-N 316.445 4.624 30 20 DJED CCOc1ccc(C#N)cc1NCc1cccc(C(F)(F)F)c1 864008256 VHFMCQUVAPXTDZ-UHFFFAOYSA-N 320.314 4.588 30 20 DJED CO[C@H](C)c1nc(CSCCCCC2(C#N)CCC2)cs1 901770203 UTVKAVYNGBRTQM-CYBMUJFWSA-N 324.515 4.948 30 20 DJED Cc1cc(C)cc(Nc2c(Br)cccc2C#N)c1 1184589140 BAQQZYKKEPXGRB-UHFFFAOYSA-N 301.187 4.681 30 20 DJED CN(Cc1cccc(C#N)c1F)Cc1cccc(Cl)c1Cl 1249685948 WAZCIUBFBMZOPM-UHFFFAOYSA-N 323.198 4.636 30 20 DJED Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H](CCC#N)c1ccccc1 1337800492 NLBMKPHEGUERQU-BPQIPLTHSA-N 320.436 4.884 30 20 DJED Cc1ccccc1[C@@H](NC(=O)CC1(C#N)CCCCC1)C(C)C 1456224408 KZWUKYMWZGZIJM-IBGZPJMESA-N 312.457 4.673 30 20 DJED CCC(C#N)(CC)C(=O)Nc1ccc(OCCC(C)C)c(F)c1 1461220777 FDHWTVONSWHGMY-UHFFFAOYSA-N 320.408 4.519 30 20 DJED Cc1nc(NCCc2cccc3ccccc23)c(Cl)cc1C#N 1472689425 KQGSPKAPNPWTBL-UHFFFAOYSA-N 321.811 4.723 30 20 DJED CC(C)c1ccc(N(C)C(=O)[C@@H](C)Cc2ccc(C#N)cc2)cc1 1517684877 ANQMCJXAISXLAZ-INIZCTEOSA-N 320.436 4.523 30 20 DJED CC(C)c1ccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1Cl 1520595002 KPBWDJOZAUAGJC-INIZCTEOSA-N 318.848 4.618 30 20 DJED Cc1ccc(C#N)cc1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 1522608585 QGODRKXVYHDJNG-UHFFFAOYSA-N 324.383 4.690 30 20 DJED CCc1sc(C(=O)N(c2ccccc2C#N)C2CCC2)cc1C 1532422401 KWHITFIDHWYRBL-UHFFFAOYSA-N 324.449 4.690 30 20 DJED CC(C)c1ccc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)cc1 1540129286 YJPNHULSEINTSV-UHFFFAOYSA-N 318.420 4.881 30 20 DJED CC[C@H](CN1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccccc1 1560647539 ZIAQMHGQGYLNAB-COPCDDAFSA-N 318.464 4.952 30 20 DJED N#Cc1ccc(Br)c(COc2ccc(Cl)cc2)c1 1613673850 IFPVMAULCQDWCF-UHFFFAOYSA-N 322.589 4.553 30 20 DJED C[C@@H]1C[C@@H]1c1ccc(CN(Cc2ccc(C#N)c(F)c2)C2CC2)o1 1621210193 ITBUPJBGTGRCJY-ACJLOTCBSA-N 324.399 4.578 30 20 DJED CC(C)(C)C[C@H]1CCN(Cc2cccc(C#N)c2F)C1(C)C 1646129090 BDOYDEHSOCJCQA-MRXNPFEDSA-N 302.437 4.734 30 20 DJED N#C[C@@H]1CC[C@@H](NCC2(c3cccc(Cl)c3)CCCCC2)C1 1659259012 MTVZTWXEIWXQDN-CRAIPNDOSA-N 316.876 4.824 30 20 DJED COc1cccc(/C=C2\CCc3ccccc3C2=O)c1OC(C)C 5128655 QWNAHIUOVPYRNZ-DTQAZKPQSA-N 322.404 4.695 30 20 DJED C[C@H](N[C@H](C)c1ccc(OC(F)F)cc1)c1ccc(C#N)cc1 78973538 SGLCAODVSBBAEX-QWHCGFSZSA-N 316.351 4.571 30 20 DJED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)oc1C 128812455 JCTTYYGREWZOKG-CQSZACIVSA-N 322.389 4.510 30 20 DJED C=CCCCC(=O)Nc1cccc(Cl)c1Oc1cccnc1 177755940 STHAQWDQRLCXES-UHFFFAOYSA-N 316.788 4.822 30 20 DJED CC(C)Oc1cccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)c1 192991114 QFTAPMDMRLKCSJ-CVEARBPZSA-N 308.425 4.757 30 20 DJED COc1cccc(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)c1 210420706 MVXASYIWQBMREF-YFHOEESVSA-N 306.283 4.610 30 20 DJED CC(C)C[C@H](NCc1ccc(O[C@H](C)C#N)cc1)c1ccccc1 236648696 FXJBVAONOBYJET-UTKZUKDTSA-N 322.452 4.854 30 20 DJED CC(C)c1ccc(C[S@@](=O)CCCCC(C)(C)C#N)cc1 278292163 PZQPTVHWOOVGPG-NRFANRHFSA-N 305.487 4.779 30 20 DJED N#CCCCOc1cccc(NCc2ccc3cnccc3c2)c1 326921764 UBTXDSLNEJDAML-UHFFFAOYSA-N 317.392 4.529 30 20 DJED Cc1[nH]nc(C(F)F)c1N=C(O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 329090623 JCTLURXINNFZRT-GRYCIOLGSA-N 311.376 4.850 30 20 DJED Cc1noc(C)c1[C@H](C)C/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 329159492 DUXXCJIGBISZPG-ISWURRPUSA-N 318.461 4.958 30 20 DJED C=CCOc1ccc(CNCc2ccc(Cl)cc2)cc1Cl 409623633 IHLGKHRZCQYJAH-UHFFFAOYSA-N 322.235 4.848 30 20 DJED C=CCN(Cc1cccs1)C(=O)N[C@@H](CC)c1ccccc1 413657675 OFCLTYUUHCVIKD-KRWDZBQOSA-N 314.454 4.597 30 20 DJED C=C(C)[C@@H](NCc1cccc(OCC)c1)c1ccc(F)c(F)c1 479419435 VEVAJVSNBFJDCJ-LJQANCHMSA-N 317.379 4.771 30 20 DJED C=CCC[C@@H](NC(=O)Nc1cccc2cc[nH]c12)c1ccccc1 548177298 JJSPLBVKUGWSHG-QGZVFWFLSA-N 319.408 4.997 30 20 DJED C=CCC[C@@H](NCc1cccc(CN(C)CC)c1)c1ccco1 552250064 UFGONFORAJXXPZ-LJQANCHMSA-N 312.457 4.528 30 20 DJED N#Cc1ccc2c(c1)[C@@H](NCc1cc3ccccc3s1)CC2 559877855 OVAXRFUNXXZQOE-SFHVURJKSA-N 304.418 4.550 30 20 DJED C=CCC(C)(C)c1noc([C@H](C)SCc2ccccc2)n1 560024822 NGNNZUNLASGNMB-ZDUSSCGKSA-N 302.443 4.918 30 20 DJED C=C(C)CN(CC)C(=O)N[C@H](C)c1ccc(F)c2ccccc12 561591070 PPQASTKKSHTGNW-CQSZACIVSA-N 314.404 4.648 30 20 DJED CC(C)(CCC#N)CN1CC(Cc2cccc(C(F)(F)F)c2)C1 590967262 WXNWRSYPENZCAO-UHFFFAOYSA-N 324.390 4.510 30 20 DJED C[C@H](Oc1ccc([C@@H](C)NCCCC#N)cc1)c1ccccc1 595034814 YBTIQVBICXWXEA-SJORKVTESA-N 308.425 4.781 30 20 DJED CCOc1ccc(Cl)c(N[C@H](C)c2cccc(C#N)c2)c1 600851499 HQRDKNZOOKJKJK-GFCCVEGCSA-N 300.789 4.783 30 20 DJED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC[C@H](C)CCC#N 602536248 SFFUSEPGUPDUIH-ZIAGYGMSSA-N 313.470 4.709 30 20 DJED C[C@@H](NCc1nc(-c2ccccc2)cs1)c1cccc(C#N)c1 610344934 NGHXPXQCOSKWHO-CQSZACIVSA-N 319.433 4.533 30 20 DJED Cc1cc(Oc2ccccc2)ccc1NC(=O)N(C)[C@@H](C)CC#N 610663932 XBAYYJHRKSDWCJ-HNNXBMFYSA-N 323.396 4.553 30 20 DJED CCC(CC)(CC)C(=O)Nc1cccc(OCCCC#N)c1 610753949 FXOSCIFBLKZGGR-UHFFFAOYSA-N 302.418 4.524 30 20 DJED C=CCN(C(=O)c1ccc(-c2csc(C)n2)cc1)C(C)(C)C 622945061 QMKNCLILMJIALB-UHFFFAOYSA-N 314.454 4.545 30 20 DJED C=CCC1(NCCCC(=O)Nc2c(C)cccc2C)CCCC1 661848584 GNSSKYXFJFGOGC-UHFFFAOYSA-N 314.473 4.501 30 20 DJED C=C(C)CCc1noc([C@@H](C)c2ccccc2C(F)(F)F)n1 671670968 APXFRDIKZIUASV-NSHDSACASA-N 310.319 4.749 30 20 DJED FC(F)(F)c1ccccc1C=NOCc1ccc(Cl)s1 727470542 ZOHIISYTQXJCOW-UHFFFAOYSA-N 319.735 4.971 30 20 DJED O=C(/C=C/c1cc(F)c(F)c(F)c1)c1ccc(F)c(Cl)c1 727975410 TVEKYODTZYKNGR-DAFODLJHSA-N 314.665 4.793 30 20 DJED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C=C2CCCCC2)cc1 731199269 VNAFBSKRVCBGPN-GOSISDBHSA-N 310.441 4.555 30 20 DJED C=CC[C@@H](NC(=O)CCc1ccc(C(C)C)cc1)c1ccncc1 734360000 DZRRSEQAUGSSFZ-HXUWFJFHSA-N 322.452 4.571 30 20 DJED O=C(/C=C\c1ccc2c(c1)CCO2)c1cccc(Cl)c1Cl 734982030 VIFDPTXKHBMZND-XQRVVYSFSA-N 319.187 4.824 30 20 DJED CC/C(=C\C(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccc(C)cc1 741531247 DPZHSKKQEKKQSC-APVMCDBPSA-N 318.420 4.538 30 20 DJED CCCCCC[C@H](C)C(=O)N(CCC)Cc1ccc(C#N)cc1 741900343 UYRYLHFXEGBYAU-KRWDZBQOSA-N 314.473 4.903 30 20 DJED CCc1oc2ccccc2c1C=NOCc1sc(C)nc1C 742352683 WVJZEGBJIVLRSX-UHFFFAOYSA-N 314.410 4.619 30 20 DJED CSc1ccc(C(=O)/C=C\c2nc(Cl)cs2)cc1F 759084911 RXBHNKGJYNQUHJ-HYXAFXHYSA-N 313.806 4.554 30 20 DJED C#CCOc1ccc([C@@H](C)N[C@H](C)c2cccc(OCC)c2)cc1 765455566 DKFXDFOSBNDATL-IAGOWNOFSA-N 323.436 4.509 30 20 DJED C#CCCCN[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C 766223858 UAZJPJDKDAAQOT-LBPRGKRZSA-N 318.873 4.836 30 20 DJED CCCn1nc(C)c(/C=C2\C(=O)c3cccc(C)c3[C@H]2C)c1C 766696892 XKMGMMWBZKLVLN-MFVBVHDHSA-N 308.425 4.602 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1F 776729099 PGKREDDRDUMGTI-QPJJXVBHSA-N 319.257 4.612 30 20 DJED C[C@H](Nc1ccc(OC2CCC2)c(F)c1)c1cccc(C#N)c1 777699479 CWNFRBCWQHJVPE-ZDUSSCGKSA-N 310.372 4.802 30 20 DJED C=C[C@@](C)(CC)C(=O)OCc1coc(-c2ccc(Cl)cc2)n1 785758919 ZRFWBPGEHWQBCL-KRWDZBQOSA-N 319.788 4.641 30 20 DJED C=CC[C@H](C)[C@H](C)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 792178828 GILAEJCQKUMTHY-RWMBFGLXSA-N 319.836 4.641 30 20 DJED C=CC[C@H](N[C@H]1CCC[C@@H](c2ncccc2C)C1)c1ccncc1 798929210 NRWBAYUDZBAGJZ-AABGKKOBSA-N 321.468 4.718 30 20 DJED CC(=NNc1ccc(C#N)c(Cl)c1)c1c(F)cccc1Cl 807982996 UYWISZNUUHNCPO-UHFFFAOYSA-N 322.170 4.840 30 20 DJED CCC(=NN[C@@H]1CCOC(C)(C)C1)C12CC3CC(CC(C3)C1)C2 811647930 AZQRTSKJIUCCEN-VQBCORBOSA-N 318.505 4.516 30 20 DJED N#Cc1c(F)cccc1/C=C\C(=O)c1cccc(Cl)c1Cl 811691493 NOOAZKIJEYXMAM-FPLPWBNLSA-N 320.150 4.900 30 20 DJED CC(C)CC(CC(C)C)C(=O)[C@@H](C#N)c1cnc2ccccc2n1 835348551 OVNQYCALALQBIB-INIZCTEOSA-N 323.440 4.514 30 20 DJED CCCCC[C@@H](CC)C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842941133 OFASGPQPVLFORM-TZMCWYRMSA-N 304.459 4.803 30 20 DJED CCN(C(=O)/C=C(/C)c1cccs1)[C@@H](C)c1ccc(C#N)cc1 857136805 RYJFMYVUGJWTQW-ZSMUJPCHSA-N 324.449 4.633 30 20 DJED CC[C@H](C)c1ccc(C(=O)/C=C\c2cn(C)nc2C(F)F)cc1 863196966 BSXUQABDHYFGBZ-PRDAAYKISA-N 318.367 4.767 30 20 DJED COc1cccc(C=Nc2ccc3oc(C(C)(C)C)nc3c2)c1O 914703681 WTOAIWIHRJIKOV-UHFFFAOYSA-N 324.380 4.590 30 20 DJED CC[C@@H](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 1124283231 OYSKTPRCXOSPND-VXGBXAGGSA-N 304.459 4.509 30 20 DJED CC(C)CC(CC(C)C)C(=O)N[C@@H](CCC#N)c1ccccc1 1127379417 WGLDOXDCZFPXOR-IBGZPJMESA-N 314.473 4.856 30 20 DJED CCCC[C@H](CC)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1129092164 LMTOJZYYPIIKPD-AWEZNQCLSA-N 316.445 4.890 30 20 DJED Cc1ccc(C)c(C(=O)[C@H](C)Sc2cccc(F)c2C#N)c1 1189433696 XHXZMGOBPQMZQG-ZDUSSCGKSA-N 313.397 4.678 30 20 DJED CC(C)(C)CN(CC(C)(C)C)C(=O)Nc1ccc(C#N)c(F)c1 1219030787 MCDYQDWZUQGOIR-UHFFFAOYSA-N 319.424 4.623 30 20 DJED CCC(CC)CC(=O)Nc1sc2c(c1C#N)CCCCC2 1264128864 GESOUMDCENXVCO-UHFFFAOYSA-N 304.459 4.653 30 20 DJED Cc1nc(N2CC[C@@H](C(C)(C)C)C[C@@H]2C)c(Cl)cc1C#N 1307133798 XWUXHMKKMHHARN-SMDDNHRTSA-N 305.853 4.566 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1NCc1ccc(F)cc1 1458063959 QDNGICFCQLWPAO-UHFFFAOYSA-N 311.747 4.511 30 20 DJED N#Cc1ccc(C(F)(F)F)nc1SC/C=C/c1ccccc1 1473019100 HOQZCOAZRWAYFR-QPJJXVBHSA-N 320.339 4.778 30 20 DJED C[C@H](c1ccccc1)N(Cc1cccc(C#N)c1)CC1CCC1 1473177818 PHKNGIAWJIQERK-QGZVFWFLSA-N 304.437 4.922 30 20 DJED Cc1cc(NCC(C)(C)CCC#N)cc(F)c1Br 1474179482 SMRWYXSFRPUVDQ-UHFFFAOYSA-N 313.214 4.639 30 20 DJED Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(C)(C)C)CC2)cc1C#N 1516565716 SICCZQHQXIRGFL-QZTJIDSGSA-N 312.457 4.592 30 20 DJED CCc1ccc([C@H](C#N)N(C)C(=O)[C@H](C)CCC(C)(C)C)cc1 1527597783 XXYHOBNTTFATEI-QAPCUYQASA-N 314.473 4.734 30 20 DJED CC[C@H](NCc1ccc(C#N)cc1Cl)c1ccc(C)c(F)c1 1559709098 QKLQGELHZHGYBA-SFHVURJKSA-N 316.807 4.900 30 20 DJED C[C@@H]1C[C@@H](NCCc2ccc(C#N)cc2)C[C@H](c2ccccc2)C1 1560530248 BJBOEFOCEKAGEA-MTNREXPMSA-N 318.464 4.663 30 20 DJED C[C@@H]1CCc2sc(NC(=O)CCC3(C)CC3)c(C#N)c2[C@@H]1C 1595892378 QGDXMQQNWAXFHZ-VXGBXAGGSA-N 316.470 4.824 30 20 DJED CC(C)c1ccc(C[C@H]2CCN(Cc3cccc(C#N)c3)C2)cc1 1616980646 CFEWJNYTPVSWBS-OAQYLSRUSA-N 318.464 4.746 30 20 DJED C[C@H](CCC#N)CN1CCc2ccc(-c3ccccc3)cc2C1 1621363927 WPJIADXSKJLQOX-QGZVFWFLSA-N 304.437 4.652 30 20 DJED Cc1cc(C)nc(CSc2ccc(C#N)c(C(F)(F)F)c2)c1 1641028197 GMFLYDDNVOZAMP-UHFFFAOYSA-N 322.355 4.881 30 20 DJED C=C(CNCc1ccc(C(F)(F)F)c(C)c1)c1ccccc1 1649117212 DPOHCQGRAZGJJZ-UHFFFAOYSA-N 305.343 4.817 30 20 DJED C[C@H](CNc1ccc(F)cc1OCC#N)CC1CCCCC1 1659389485 MUHPKIWFFQPWTE-AWEZNQCLSA-N 304.409 4.746 30 20 DJED O=C(/C=C/c1cnc(-c2ccccc2)s1)c1ccccc1F 156586300 VLZSOZYMZGBLBX-ZHACJKMWSA-N 309.365 4.845 30 20 DJED Cc1ccc(-c2ccc(Cl)cc2NC(=O)CCCC#N)o1 292228267 ITJKEEIRMXWIEF-UHFFFAOYSA-N 302.761 4.541 30 20 DJED CC[C@@H](Nc1ccc([C@@H]2CCOC2)cc1)c1ccc(C#N)cc1 294931155 HKGVBKALCKDKPF-UYAOXDASSA-N 306.409 4.625 30 20 DJED CCCOc1ccc(/C=C/C(=O)c2ccc(C)o2)cc1OCC 302906569 BQQNFCWZHBFLHX-VQHVLOKHSA-N 314.381 4.672 30 20 DJED CCCn1c(-c2ccc3ncccc3c2)nc2cc(C#N)ccc21 325537529 AEQNWBUBOICFMX-UHFFFAOYSA-N 312.376 4.533 30 20 DJED N#CCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccccc1 339481540 CVLXFFCWVWKHFN-FFGOWVMKSA-N 324.468 4.754 30 20 DJED C=C[C@H](CC(=O)N[C@@H]1CCCc2sccc21)c1ccccc1 341302463 DILCHCCSCKXTQU-RHSMWYFYSA-N 311.450 4.602 30 20 DJED CC[C@H]1CCCC[C@H]1CNc1ccc(C#N)c(Br)c1 401417254 CXTJIDPQBPJEEF-JSGCOSHPSA-N 321.262 4.949 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(Cl)c(F)c1 418151148 WSNJPEOMYXYDAF-SFHVURJKSA-N 314.791 4.518 30 20 DJED C=CCC[C@H](NC(=O)N(C1CC1)[C@@H](C)C1CC1)c1ccccc1 435763252 QIFOGNNNIFPTQE-KXBFYZLASA-N 312.457 4.666 30 20 DJED Cc1ccccc1[C@H](CC(F)(F)F)NCc1ccc(C#N)cc1 444011082 OXQYMDYDVGDBBQ-KRWDZBQOSA-N 318.342 4.650 30 20 DJED CO[C@H](c1ccccc1Cl)[C@H](C)NCCCCC(C)(C)C#N 444674468 KWUUCMXEAMTZQJ-YOEHRIQHSA-N 322.880 4.726 30 20 DJED N#Cc1ccccc1/C=C\c1nc(-c2coc3ccccc23)no1 445579548 OKJKPPYQTXSJGN-KTKRTIGZSA-N 313.316 4.525 30 20 DJED CC(C)(C#N)CCCCN1CCCC[C@@H]1c1nc2ccccc2[nH]1 451878132 LOWDAJLVBGRYMV-GOSISDBHSA-N 324.472 4.810 30 20 DJED CC[C@H](Nc1ncc(C#N)cc1Cl)c1cccc(Cl)c1 463010401 KWSZSYKUDIXCBD-AWEZNQCLSA-N 306.196 4.823 30 20 DJED C=CCC(CC=C)C(=O)Nc1cccc(Cl)c1OC(C)C 467519956 TXWVEUORMKDZBD-UHFFFAOYSA-N 307.821 4.834 30 20 DJED C=C[C@@H](CC(=O)N[C@H](C)c1cc2ccccc2o1)c1ccccc1 468274088 HFSPQCODSFAPRC-CVEARBPZSA-N 319.404 4.970 30 20 DJED N#CC[C@H](CC(=O)N1CCC2(CCCCC2)CC1)c1ccccc1 475537248 MOAQZJBRVIFCDO-LJQANCHMSA-N 324.468 4.647 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1cccc(C(F)F)c1 480130188 HPYSZKLGSWVFPC-UHFFFAOYSA-N 316.351 4.895 30 20 DJED Cc1ccc(-c2ncc(/C=C/c3ncccc3C#N)s2)cc1 485977435 ALHOZDSYLWUCDA-CMDGGOBGSA-N 303.390 4.556 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCC[C@H]1c1ccsc1 487383759 ZVSQVDJDFVZAIT-SFHVURJKSA-N 310.466 4.886 30 20 DJED C=C[C@H]1CCCCN1C(=O)c1oc2ccc(Cl)cc2c1C 488881721 UAASTRNOKADKDI-ZDUSSCGKSA-N 303.789 4.575 30 20 DJED CC(C)(C#N)CCCN[C@@H](c1ccc(F)cc1)c1cccs1 532159713 ZZVRVLIZJOMRPV-KRWDZBQOSA-N 316.445 4.896 30 20 DJED CN(Cc1ccc(CC#N)cc1)Cc1csc2ccccc12 544070188 JPTDCSVMCCAKDM-UHFFFAOYSA-N 306.434 4.599 30 20 DJED C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1cc2cccc(F)c2o1 567315730 AHFJWHOFJNWSSY-SGTLLEGYSA-N 320.367 4.782 30 20 DJED CC(C)(C)c1ccc(C#N)c(N[C@H](CCC#N)c2ccccc2)n1 613427858 PRHGFUNIQPLLRH-QGZVFWFLSA-N 318.424 4.708 30 20 DJED Cc1coc(C)c1C(=O)Nc1cccc(C#Cc2cccs2)c1 670765023 ICHNLWVXOQORGC-UHFFFAOYSA-N 321.401 4.610 30 20 DJED CC(C)c1ccc(C=NOCc2ccn(-c3ccccc3)n2)cc1 729673699 CBAKAGJSCODQNE-UHFFFAOYSA-N 319.408 4.546 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)/C=C\c1ccccc1 730990564 ZWHFZXLLQVWZLW-SSCKCOOKSA-N 322.433 4.590 30 20 DJED O=C1/C(=C/c2cc(C(F)(F)F)ccc2F)Cc2ccccc21 733205551 ZDYFBWXMDFEHKZ-XYOKQWHBSA-N 306.258 4.667 30 20 DJED C=CCC(=NNc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1 735610723 UYDOWKDDCBKVHZ-UHFFFAOYSA-N 323.293 4.632 30 20 DJED CCCCC(=NNc1oc(C(C)C)nc1C#N)c1ccccc1 745625001 RWJNASWBNJGFAH-UHFFFAOYSA-N 310.401 4.676 30 20 DJED N#CC1(COC(=O)c2sc3cc(F)ccc3c2Cl)CCC1 768085489 JNJDQSCTSZLMBD-UHFFFAOYSA-N 323.776 4.544 30 20 DJED Cc1ccc(SCC(=O)OCCCCC(C)(C)C#N)c(C)c1 768356913 GRMFLLAAZHMJCL-UHFFFAOYSA-N 319.470 4.659 30 20 DJED C#CCCCCC(=O)Nc1nc(-c2ccc(C)s2)c(C)s1 773331461 GBPWPIBMGQHBOT-UHFFFAOYSA-N 318.467 4.621 30 20 DJED C=CC[C@@H](C(=O)OCCC(Cl)(Cl)Cl)c1ccccc1 778430982 YHQORUCSIMLQFI-GFCCVEGCSA-N 321.631 4.650 30 20 DJED Cc1ccc(N[C@@H](C)c2ccc(C#N)c(F)c2)cc1OC(C)C 786941929 OQIJWOKMUZYHBC-AWEZNQCLSA-N 312.388 4.966 30 20 DJED C=CC[C@H](N[C@@H]1CC(C)(C)c2cc(OC)ccc21)c1ccncc1 788989021 TWIKHDVUHFOMEN-VQTJNVASSA-N 322.452 4.720 30 20 DJED C[C@H](NCC(C)(C)CCC#N)c1cc(Cl)c(Cl)cc1O 806177802 KLWIODXXULGVIH-JTQLQIEISA-N 315.244 4.680 30 20 DJED C=CCc1cc(/C=C2\C(=O)c3ccccc3[C@@H]2C)cc(OC)c1O 809159109 IIKUMLDZHDBLNN-FHNWIRHTSA-N 320.388 4.513 30 20 DJED CCCCCCCCCC(=O)Nc1cccc(-c2nnco2)c1 914573624 IWKBVSAYKSUCSX-UHFFFAOYSA-N 315.417 4.816 30 20 DJED C=CCOc1cccc(/C=C/C(=O)c2cc3ccccc3o2)c1 916138390 IOAQOAOIYYUSFS-ZHACJKMWSA-N 304.345 4.894 30 20 DJED CC/C=C(/C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 920018072 QQHBOMCUTLIRFO-RZNTYIFUSA-N 320.392 4.954 30 20 DJED N#CCCCCSCc1ccc(CN2CCCCC2)cc1 1118040782 MYOIEMORHSKTRY-UHFFFAOYSA-N 302.487 4.600 30 20 DJED N#Cc1cccc(C(=O)N[C@@H](CC2CCCC2)c2ccccc2)c1 1127323604 RHKSTROTFIDPNG-FQEVSTJZSA-N 318.420 4.610 30 20 DJED COc1ccc(C#N)cc1CN1CCC[C@H]1c1cccc(C)c1C 1167464222 JAJBURUNEWVLIZ-FQEVSTJZSA-N 320.436 4.521 30 20 DJED Cc1cc(C#N)ccc1CN1CC=C(c2cccc(C)c2C)CC1 1176860716 PKYPSDHKOXCEGU-UHFFFAOYSA-N 316.448 4.773 30 20 DJED Cc1nc(NC[C@@H](C)c2c(Cl)cccc2Cl)ccc1C#N 1185159817 XWHIORGTSCFSED-SNVBAGLBSA-N 320.223 4.784 30 20 DJED COc1ccccc1[C@H]1CC[C@@H](C)CN1c1cccc(F)c1C#N 1186403871 CVNSRWXFXWAFRH-AUUYWEPGSA-N 324.399 4.684 30 20 DJED COc1ccc(CSc2ccc(Cl)cc2C#N)cc1C 1188869898 JJAXLSMHFHSTMI-UHFFFAOYSA-N 303.814 4.821 30 20 DJED CC(C)[C@@H](CNCc1ccc(C#N)cc1)c1ccc(Cl)cc1 1202299835 STSVDAUCAFBEDB-LJQANCHMSA-N 312.844 4.741 30 20 DJED CC(F)(F)c1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 1264187771 IJYPKEOJUQCYSJ-UHFFFAOYSA-N 320.726 4.576 30 20 DJED Cc1ccc2sc(N(C)[C@H](C)c3cccc(C#N)c3)nc2c1C 1307146518 IYRGXSOTRTVUHE-CQSZACIVSA-N 321.449 4.982 30 20 DJED C=CCC1(c2nnc([C@@H](C)Oc3cccc(Cl)c3)o2)CCC1 1325833327 MWWARGQFRBPPFH-GFCCVEGCSA-N 318.804 4.861 30 20 DJED N#Cc1c(F)cccc1Nc1ccc(COC2CCCC2)cc1 1458199493 FWHOQSUAMDPJEV-UHFFFAOYSA-N 310.372 4.900 30 20 DJED CC1(C)CCCC[C@@H]1CC(=O)N[C@@H](CCC#N)c1ccccc1 1519311365 BEDMWMHBSAHHBC-MSOLQXFVSA-N 312.457 4.754 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)OCc1ccc(CC#N)cc1 1535001383 SCEDGTCZAVTGEX-IBGZPJMESA-N 313.441 4.792 30 20 DJED N#Cc1csc(C(=O)N[C@@H](CC2CCCC2)c2ccccc2)c1 1536369275 QVJJVFIEEKXBQC-KRWDZBQOSA-N 324.449 4.671 30 20 DJED C[C@@H](c1ccccc1)c1ccc(Oc2ccnc(C#N)c2)cc1 1559100166 GDWSLIYIXFYFAP-HNNXBMFYSA-N 300.361 4.897 30 20 DJED C[C@H](CC(=O)Nc1cc(C(C)(C)C)sc1C#N)c1ccco1 1583936671 ZWPVANSMLBNVDT-LLVKDONJSA-N 316.426 4.643 30 20 DJED C[C@H]1CCCC[C@@H]1NCc1ccc(-c2ccccc2C#N)cc1 1617013427 CLAVZRBFFMFEAW-KKSFZXQISA-N 304.437 4.894 30 20 DJED N#Cc1cccc(CN2CC3(CCCC3)c3ccccc32)c1F 1642127301 UDPSVYRVWLBDEH-UHFFFAOYSA-N 306.384 4.529 30 20 DJED CCC(CC)[C@H](NCCc1ccc(C#N)cc1)c1ccccc1 1642457630 RNDJFNKTZMBDFL-NRFANRHFSA-N 306.453 4.868 30 20 DJED N#Cc1cccc(C(=O)CSc2cc(Cl)ccc2Cl)c1 1643522092 JJWYWHWVHPRQLB-UHFFFAOYSA-N 322.216 4.840 30 20 DJED CC[C@H](C)c1ccc([C@H](Nc2ccnc(C#N)n2)C(C)C)cc1 1651323694 JNUDRZTZAOCPGM-IFXJQAMLSA-N 308.429 4.671 30 20 DJED CCOc1ccc2nc(S[C@@H](C)c3cccc(C#N)c3)[nH]c2c1 1651627201 WHQWGXKRFXUEQB-LBPRGKRZSA-N 323.421 4.687 30 20 DJED CN(Cc1ccc(F)cc1C#N)[C@H]1CCCC[C@H]1c1ccccc1 1654733838 RCYHOACWTWEBAZ-SFTDATJTSA-N 322.427 4.856 30 20 DJED CC(C)(C)c1ccc(C#N)c(OCC[C@@H]2CCc3ccccc32)n1 1656663708 HWFKDSMZYGJBOD-INIZCTEOSA-N 320.436 4.750 30 20 DJED CC(C)Sc1cccc(Cl)c1CN1CCC[C@@H](CC#N)C1 1659645486 BYQHKXUSUITDAW-AWEZNQCLSA-N 322.905 4.966 30 20 DJED CCC(CC)(CN[C@@H](C)CC(C)(C)C#N)c1ccc(F)cc1 1660339079 DBNVVCSJJLWSSO-HNNXBMFYSA-N 304.453 4.801 30 20 DJED CCC1(CC)CCC(=NNc2cccc(C(=O)O)c2C)CC1 1776088333 FHMSTYMFXOXGFL-UHFFFAOYSA-N 302.418 4.842 30 20 DJED C=CCNC(=S)Nc1ccccc1Oc1ccccc1Cl 15662517 DKPWVHIOFFTIST-UHFFFAOYSA-N 318.829 4.605 30 20 DJED C=CCCC(=O)Nc1cc(C)ccc1SCC(F)(F)F 134900710 ZVQBXUGSFKZALC-UHFFFAOYSA-N 303.349 4.554 30 20 DJED CC[C@H](NCc1cccc(C#N)c1)c1cccc(Cl)c1F 161556017 OCTPZCAQLDFISM-INIZCTEOSA-N 302.780 4.592 30 20 DJED C[C@H](NCc1ccc2ccccc2c1)c1ccc(OCC#N)cc1 171768790 VLMFMIFBTMHBGS-INIZCTEOSA-N 316.404 4.593 30 20 DJED C[C@@H](N[C@@H](c1ccc(F)cc1)C1CCC1)c1cccc(C#N)c1 181685503 PFRBYUNKOCAQMW-JLTOFOAXSA-N 308.400 4.889 30 20 DJED C=C(C)[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(F)c(F)c1 186446178 HFTXDXNPIGUPEU-DJJJIMSYSA-N 312.363 4.804 30 20 DJED CC#CCCCC(=O)Nc1cccnc1-c1ccc(Cl)s1 187123026 QERUDEUWHLNHQF-UHFFFAOYSA-N 318.829 4.596 30 20 DJED CC(C)[C@@H]1C[C@H](NCc2ccc(OCC#N)cc2)c2ccccc21 278755681 OCLZURYOMHWDCH-SFTDATJTSA-N 320.436 4.563 30 20 DJED N#Cc1ccc(Oc2ccc(Oc3ncc(Cl)cn3)cc2)cc1 301505961 ZWTNOJSPDGIXLG-UHFFFAOYSA-N 323.739 4.586 30 20 DJED C[C@H](CCC(C)(C)C)Nc1ccc(C#N)c(Br)c1 310772083 UMVZTIFLBIIMQQ-LLVKDONJSA-N 309.251 4.947 30 20 DJED CCCOc1ccc([C@H](C)Nc2ccc(OCC#N)cc2)cc1 320233457 XJLZTMAHBGBBFL-HNNXBMFYSA-N 310.397 4.551 30 20 DJED CC(C)c1nnc(C/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)s1 329169782 JTGXRWOVLQUIBY-BFHYXJOUSA-N 321.490 4.725 30 20 DJED Cc1c([C@@H](C)Nc2ccc(C#N)cc2[N+](=O)[O-])oc2ccccc12 391592844 LUJGEGIAFDVXIQ-GFCCVEGCSA-N 321.336 4.694 30 20 DJED Fc1ccc(C#CCNc2ccccc2CCC(F)(F)F)cc1 433472140 REYGUWANIGJWRA-UHFFFAOYSA-N 321.317 4.784 30 20 DJED CC(C)(NCc1ccc(C#N)cc1Cl)c1ccc(F)c(F)c1 439431727 ODZPEZUREXAUHE-UHFFFAOYSA-N 320.770 4.515 30 20 DJED N#C[C@H](NC(=O)c1cccc(C2CCC2)c1)c1ccc(Cl)cc1 462548620 JDONCAMEWYENPW-SFHVURJKSA-N 324.811 4.602 30 20 DJED CCN(C(=O)CCCC1CCCC1)[C@H](C)c1ccc(C#N)cc1 463146794 UBSOXQWIILPQNK-MRXNPFEDSA-N 312.457 4.828 30 20 DJED C=CCN(C(=O)[C@H](C)CC(C)(C)C)c1nc2c(s1)CCCC2 476676458 WNVDAOPEUFUBDF-CYBMUJFWSA-N 320.502 4.613 30 20 DJED C=CCCCC(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 480017257 SOTMBQAVHIPUPI-CYBMUJFWSA-N 313.363 4.672 30 20 DJED C=CCC[C@H](C(=O)Nc1ccc2[nH]ccc2c1)c1ccccc1 494891684 IWOKPXLWRBBWKL-SFHVURJKSA-N 304.393 4.856 30 20 DJED C=CCCCC(=O)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F 499432848 DRNXZLGFHQYMTF-OLZOCXBDSA-N 313.363 4.670 30 20 DJED C=CCN(CCc1ccccc1)Cc1csc(-c2ccoc2)n1 519442343 HCUODRPHJHOPFI-UHFFFAOYSA-N 324.449 4.634 30 20 DJED CC1CCN(c2cccc(NCc3ccc(C#N)cc3F)c2)CC1 532987025 NBRMDKKCSZFHBA-UHFFFAOYSA-N 323.415 4.546 30 20 DJED CC(C)(C#N)CCCN[C@H](COc1ccccc1)c1ccccc1 538216731 QKWXTOQELFZAJI-HXUWFJFHSA-N 322.452 4.726 30 20 DJED Cc1cccc([C@H](NCc2cccc(C#N)c2F)C(C)(C)C)c1 538237664 BWYXCHRUZUZTFE-IBGZPJMESA-N 310.416 4.883 30 20 DJED C=CCC[C@@H](NCCC(=O)Nc1ccccc1C)c1ccccc1 540456217 GYTLOWAZOLSXTO-HXUWFJFHSA-N 322.452 4.621 30 20 DJED C=CCN(C(=O)c1ccccc1Sc1ccccc1)C1CC1 541593866 FZUOUHFCAUVSKM-UHFFFAOYSA-N 309.434 4.628 30 20 DJED N#CCC1CCN(Cc2ccc(F)c(-c3cccs3)c2)CC1 543779014 AYYOXDQIUDGHLG-UHFFFAOYSA-N 314.429 4.680 30 20 DJED N#CC1(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CCCCC1 544971950 TYDSUVMEWIFGDJ-UHFFFAOYSA-N 322.195 4.769 30 20 DJED CC[C@H](C#N)Sc1nnc(Nc2ccc(C(C)C)cc2)s1 548031141 QFDNQDSKRAYQEA-CYBMUJFWSA-N 318.471 4.799 30 20 DJED N#Cc1ccc2c(c1)[C@H](N[C@H]1CC[C@H](c3cccc(F)c3)C1)CC2 571129233 IVOSFTJQTNUDMO-HFSMHLIXSA-N 320.411 4.611 30 20 DJED CC[C@@H](C)Sc1ccc(NC[C@H](C#N)CCC#N)c(C)c1 576817094 YCNYSZDUQJQTBM-CABCVRRESA-N 301.459 4.741 30 20 DJED CCCCOc1ccccc1NC(=O)CC1(C#N)CCCCC1 596881577 XPRSJOMGFZPFCJ-UHFFFAOYSA-N 314.429 4.668 30 20 DJED CC[C@@H](C)Sc1ccc(NC[C@H](O)CC(C)(C)C#N)c(C)c1 598726678 VIZPDGQQYXEUBG-HUUCEWRRSA-N 320.502 4.598 30 20 DJED N#Cc1ccc(N[C@@H](CCc2ccccc2)c2ccccc2)nc1 603867587 HPXKRKLJOIJJDN-FQEVSTJZSA-N 313.404 4.739 30 20 DJED CC(C)Oc1cccc(CNc2ccc(Cl)cc2C#N)c1 729181401 DLGQHHUJXREPRX-UHFFFAOYSA-N 300.789 4.611 30 20 DJED C#Cc1cccc(N(CC)C(=O)C[C@@H](C)c2ccccc2C)c1 734772531 PKXMOIIZFBAWJT-QGZVFWFLSA-N 305.421 4.523 30 20 DJED CSc1ccc(C(C)=NNc2ccc(F)cc2F)cc1F 741759261 IEBUSTQVQNGMPH-UHFFFAOYSA-N 310.344 4.662 30 20 DJED CCc1oc2ccccc2c1/C=C\C(=O)c1cnn(C(C)C)c1 746686746 KWCHCZRMLXQUHC-KTKRTIGZSA-N 308.381 4.669 30 20 DJED Cc1ccc(-c2nc(/C=C\C(=O)c3cccc(F)c3)co2)cc1 748439728 CBPDHFVWVALKHN-KTKRTIGZSA-N 307.324 4.685 30 20 DJED C[C@H](C#N)Oc1ccc(CN(Cc2ccccc2)C(C)(C)C)cc1 768140364 ZJQAGBUJHDZVGJ-QGZVFWFLSA-N 322.452 4.778 30 20 DJED C#CC[C@H](N[C@H](C)c1cc(F)c(F)c(F)c1)c1ccccc1 773116005 PAJBJJZAVCFULU-PXAZEXFGSA-N 303.327 4.519 30 20 DJED N#Cc1cccc(C(=O)/C=C\c2ccc(SC(F)F)cc2)c1 781547119 PKSYMZWQOFGAOB-TWGQIWQCSA-N 315.344 4.769 30 20 DJED O=C(/C=C/c1c(Cl)nc2cc(Cl)ccn12)c1ccsc1 794708029 PUTPSSAJHHWXKO-OWOJBTEDSA-N 323.204 4.599 30 20 DJED Cc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(C)c(C#N)c2)o1 799339896 YBYQZKUZENVNTD-SFHVURJKSA-N 322.408 4.526 30 20 DJED N#C[C@H]1CC[C@@H](N[C@@H]2CCCc3cc(SC(F)F)ccc32)C1 818357276 XYOKKKNXSUQDAM-NORZTCDRSA-N 322.424 4.661 30 20 DJED N#C[C@H](C(=O)CC(C1CCC1)C1CCC1)c1nc2ccccc2o1 860484417 ZBCVJQDWUHZOKG-MRXNPFEDSA-N 322.408 4.611 30 20 DJED C=CCOCCCC(=O)Nc1ccccc1-c1ccc(C)s1 869833663 WWRWASZNOHSFDG-UHFFFAOYSA-N 315.438 4.645 30 20 DJED Cc1cc(C(=O)/C=C\c2cnc(-c3ccccc3)nc2)c(C)s1 917142530 GWHWAPQVCLOQBW-HJWRWDBZSA-N 320.417 4.718 30 20 DJED O=C(/C=C\c1ccc2c(c1)CCO2)c1ccc(Cl)cc1Cl 917517590 RNDVVEOWLQALSN-KTAJNNJTSA-N 319.187 4.824 30 20 DJED CCOc1ccc(C=Nc2ccc(-c3nccs3)cc2)c(O)c1 920944458 XVKSKZSQUKGMHT-UHFFFAOYSA-N 324.405 4.665 30 20 DJED CC(C)[C@H]1CC[C@H](C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1124299827 ZRTGFTUOUKFJOY-JOCQHMNTSA-N 304.821 4.613 30 20 DJED CCCC[C@H](CC)CCCN(C)C(=O)c1cccc(C#N)c1C 1131220312 KEBYMXNZMKCAAY-KRWDZBQOSA-N 314.473 4.935 30 20 DJED CO[C@@H]1CCC[C@H](Sc2nc(-c3ccccc3)ccc2C#N)C1 1165663253 ISSNZSOFZPBPFJ-SJORKVTESA-N 324.449 4.670 30 20 DJED C=C(Cl)CNCc1ccc(OCc2ccc(Cl)cc2)cc1 1200702801 HBVNRZWJJJSTJZ-UHFFFAOYSA-N 322.235 4.761 30 20 DJED Cc1ccc([C@H](CC(F)(F)F)NCc2cc(C#N)cs2)cc1 1201880497 DISFUHMZRLWVPQ-HNNXBMFYSA-N 324.371 4.712 30 20 DJED CCCCCCCCC(=O)N1Cc2ccc(O)cc2C2(CC2)C1 1261224332 BVZGOISEDSJUPO-UHFFFAOYSA-N 315.457 4.517 30 20 DJED C=C(CNC(=O)c1ccc(C2=CCCC2)cc1)c1ccccc1 1274942344 ULPLGIQDHMAKBV-UHFFFAOYSA-N 303.405 4.697 30 20 DJED N#Cc1ccc(C(=O)N[C@@H](CC2CCCC2)c2ccccc2)s1 1435627759 VQOWVNFOMLWEJR-KRWDZBQOSA-N 324.449 4.671 30 20 DJED CCc1ccc([C@@H](C)Nc2nc(C(C)(C)C)ccc2C#N)cc1 1458296436 OXZALMRMMOMXAC-CQSZACIVSA-N 307.441 4.986 30 20 DJED CC(C)[C@H]1CC[C@H](C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1 1461080419 QDINGBRLXJBRMN-KBAYOESNSA-N 312.457 4.540 30 20 DJED C[C@H](CCNC(=O)c1ccc(C(C)(C)C#N)cc1)CC(C)(C)C 1529048338 MIJZYHUKOTWVHY-OAHLLOKOSA-N 314.473 4.680 30 20 DJED CCc1ccc(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)cc1 1533755800 WFSKDEWHSVSZSM-UHFFFAOYSA-N 322.408 4.550 30 20 DJED CC(C)(C)CC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1539409625 IOMPJJQFVMRDGN-UHFFFAOYSA-N 308.381 4.725 30 20 DJED CCCC[C@H](C(=O)Nc1cc(C#N)ccc1NCCC)C(C)C 1565798673 FGNFMVMDVCBZQT-INIZCTEOSA-N 315.461 4.781 30 20 DJED CC[C@@H](CSc1ccccc1)Nc1ccc(Cl)c(C#N)n1 1639676954 WZRFBTJDXXOPJK-LBPRGKRZSA-N 317.845 4.589 30 20 DJED Cc1ccccc1[C@@H](Nc1nc(C#N)c(Cl)s1)C(C)C 1642247585 FEFLLLQCQLJZCH-ZDUSSCGKSA-N 305.834 4.786 30 20 DJED CC(C)(C)c1ccc(C2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 1643151188 VTVYDUFWJKFUET-OXQOHEQNSA-N 310.485 4.856 30 20 DJED C[C@H](COCc1ccccc1)CSc1cccc(F)c1C#N 1643959261 VXBYHIHQKQXZAD-CQSZACIVSA-N 315.413 4.642 30 20 DJED C=C(Cl)CN(Cc1ccccc1Br)C(C)(C)C 1644905486 LODKEERPGKARDR-UHFFFAOYSA-N 316.670 4.802 30 20 DJED C=C(CNCc1ccc(C)c(Br)c1)c1ccccc1 1649117051 AJAQXVRCEAKWSR-UHFFFAOYSA-N 316.242 4.561 30 20 DJED N#Cc1c(F)cccc1NCc1ccc(-c2ccco2)cc1F 1651817124 AJPDXYZNBXKBFM-UHFFFAOYSA-N 310.303 4.709 30 20 DJED Cc1ccc(CN(Cc2ccc(C#N)cc2Cl)C2CC2)cc1C 1652558060 LWTDFCDEYWEKJB-UHFFFAOYSA-N 324.855 4.993 30 20 DJED CC(C)CCN(CCC#N)Cc1ccc(SC(F)F)cc1 1658348149 KRTWEAWCKQHNJV-UHFFFAOYSA-N 312.429 4.763 30 20 DJED Cc1cc(C#N)cc(NC(=O)N(C)[C@H](c2ccccc2)C(C)C)c1 1672281399 CWVKCJXJMMRBSH-IBGZPJMESA-N 321.424 4.728 30 20 DJED C=CCC1(C=NNc2cccc(C(=O)O)c2C)CCCCC1 1776088946 SPEOVTAFLBSWBB-UHFFFAOYSA-N 300.402 4.618 30 20 DJED N#Cc1ccc(Cl)cc1N[C@H]1CCSc2c(F)cccc21 37277908 HMAVACCRSMAIJH-AWEZNQCLSA-N 318.804 5.000 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CCCCC1 66955785 YBKSMJUMBKWZTF-ZDUSSCGKSA-N 317.458 4.535 30 20 DJED C[C@H](Nc1ccc(Cl)c(C#N)n1)c1nc(C(C)(C)C)cs1 67372401 LZTHKQSZBBHNDJ-VIFPVBQESA-N 320.849 4.534 30 20 DJED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1cc(F)cc(F)c1 90665753 YVJVGVJNIGJQGD-UGSOOPFHSA-N 300.352 4.660 30 20 DJED N#CCC[C@H](N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 128150100 WCEVBJFKEQVECO-XHSDSOJGSA-N 310.363 4.742 30 20 DJED C=CCCC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 134785435 ZKIJFSJPMYGWQA-UHFFFAOYSA-N 324.405 4.517 30 20 DJED CCC[C@@H](C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 174002704 LEPMQYJQJWBWJV-MWLCHTKSSA-N 306.818 4.562 30 20 DJED CCOc1cc(/C=C2/C(=O)c3ccccc3C2(C)C)ccc1OC 195651369 ZVRPIFCISSWYSV-ATVHPVEESA-N 322.404 4.651 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2cnc(-c3cccs3)s2)cc1 255454031 CRLGELWYDDVTNI-FPLPWBNLSA-N 322.414 4.639 30 20 DJED CC(C)(C#N)CCCCN1CCC[C@@H]1CC(=O)c1cccs1 277879417 ZDSTYMWRBORQLI-OAHLLOKOSA-N 318.486 4.505 30 20 DJED Cc1cnc([C@H](Nc2ccc(C#N)c(Cl)c2)C2CC2)s1 301571442 LAHFSZJBANLEIM-CQSZACIVSA-N 303.818 4.540 30 20 DJED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H](C)C1CCCCC1 303104646 JBHUSALRTFVKLV-QGZVFWFLSA-N 324.468 4.679 30 20 DJED C[C@H](CCC(C)(C)C)C(=O)N[C@@H](CCC#N)c1ccccc1 348031914 WOKULAPANWLKML-WBVHZDCISA-N 300.446 4.610 30 20 DJED N#Cc1cc(CN[C@H](CC2CCC2)c2ccccc2)ccc1F 351094823 DCLAPTKSLVSXIQ-HXUWFJFHSA-N 308.400 4.718 30 20 DJED N#Cc1ccc(NC(=O)Nc2cccc(NC3CCCC3)c2)cc1 426667203 XVDVBDGVXDSRJZ-UHFFFAOYSA-N 320.396 4.557 30 20 DJED N#Cc1c(C(F)(F)F)nc2sc3c(c2c1C1CC1)CCC3 445554087 YFHHCLSXLRIBME-UHFFFAOYSA-N 308.328 4.553 30 20 DJED CC[C@H](NCCc1ccc(Cl)s1)c1ccc(C#N)cc1 447537480 WFJKENGFSMJENV-HNNXBMFYSA-N 304.846 4.557 30 20 DJED CC1(C#N)CCC(N[C@H](CC(F)(F)F)c2ccccc2)CC1 449090939 OQUATHFFJMSSRX-HWOWSKLDSA-N 310.363 4.742 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@@H]1[C@@H](CC)c1ccccc1 467519252 CPBLPPDJLRJFAI-VQTJNVASSA-N 311.469 4.940 30 20 DJED CCc1ccc([C@H](C)NC(=O)C[C@@H](CC#N)c2ccccc2)cc1 474188767 JMSOAEOFMGKUTJ-OXJNMPFZSA-N 320.436 4.514 30 20 DJED N#CCn1c(/C=C/c2cc(F)cc(Cl)c2)nc2ccccc21 485982808 VJPQQHZEAFSGST-AATRIKPKSA-N 311.747 4.523 30 20 DJED C=CC[C@@H](C(=O)Nc1cccc(N2CCCC2)c1)c1ccccc1 488650181 PMMQMDDMXBCSNY-HXUWFJFHSA-N 320.436 4.585 30 20 DJED CC(C)CCN(CCC#N)C(=O)Nc1cccc2ccsc12 501214972 HRBHJPIYBVRDPU-UHFFFAOYSA-N 315.442 4.695 30 20 DJED N#Cc1ccc(C2=CCN(C(=O)CCCC3CCCC3)CC2)cc1 503891266 JWDBCQPITLZHDE-UHFFFAOYSA-N 322.452 4.534 30 20 DJED C=C(C)CCc1noc(-c2cc(C3CC3)nc3ccccc23)n1 508634478 GABUBQVAQXZKMW-UHFFFAOYSA-N 305.381 4.671 30 20 DJED CC[C@](C)(C#N)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 509988226 WNDGNNOKGQATIR-FOIQADDNSA-N 322.408 4.596 30 20 DJED C=CC[C@H](C)NC(=O)N[C@@H](CCc1ccccc1)c1ccccc1 523949274 RBOJYXPIFOUHLR-PXNSSMCTSA-N 322.452 4.624 30 20 DJED N#CC1(CN[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)CC1 538389169 AWDMBFOLNPDHBZ-SFHVURJKSA-N 310.828 4.517 30 20 DJED Cc1cc(F)ccc1-c1ccc(CN2CCC(CC#N)CC2)o1 543779548 IMRIXCGTSZXCAI-UHFFFAOYSA-N 312.388 4.520 30 20 DJED C=CCSc1ccccc1C(=O)Nc1cccc2ccncc12 548274763 VAQVDSXQFKZPAS-UHFFFAOYSA-N 320.417 4.765 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC(=O)C[C@@H]1CCCC[C@@H]1C 604440760 PURZHAKVPVENTO-HOCLYGCPSA-N 314.429 4.500 30 20 DJED Cc1c(N[C@@H](C#N)Cc2ccccc2)cccc1C(F)(F)F 610752219 DFKDJZLPHJZUJE-CQSZACIVSA-N 304.315 4.561 30 20 DJED C[C@@]1(C#N)CCCN(c2ccc3c(Cl)ccc(Cl)c3n2)C1 612108686 PNZGGTILMJFWMU-INIZCTEOSA-N 320.223 4.672 30 20 DJED CCC(C)(CC)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 613402062 GZVZYQATHYLNDW-GFCCVEGCSA-N 313.228 4.501 30 20 DJED CCC[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccccn1 619508337 XQWGRWWTPASEBQ-PZJWPPBQSA-N 319.452 4.852 30 20 DJED C[C@@H]1CCCCN1C(=O)Nc1cccc(C#Cc2cccs2)c1 642480538 ZJPYVTZEJOPNCM-OAHLLOKOSA-N 324.449 4.554 30 20 DJED C=C[C@@H](Cc1nc([C@@H]2CCc3ccccc32)no1)c1ccccc1 680747594 QLXXHTIRSQXYFM-HNAYVOBHSA-N 316.404 4.660 30 20 DJED CCCCCC[C@H](C)CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 727951563 KSYNGXLEEHHPLQ-LSDHHAIUSA-N 311.429 4.736 30 20 DJED Cc1ccc([C@H]2CCCC2=NNc2nncc3ccccc23)cc1 741836592 DADNVADPDNIEPU-QGZVFWFLSA-N 316.408 4.674 30 20 DJED COc1cccc(O)c1C=Nc1ccc(CCC(F)(F)F)cc1 753136284 DMWZUCAGSTVDCG-UHFFFAOYSA-N 323.314 4.646 30 20 DJED C#CC[C@@H](NCc1cccc(Cl)c1Cl)c1ccccc1 756995349 GRUZEPIHSAEECT-MRXNPFEDSA-N 304.220 4.848 30 20 DJED CCSc1ccccc1C(C)=NNc1cnnc2ccccc12 759664841 DLLPSHJPZXORGE-UHFFFAOYSA-N 322.437 4.578 30 20 DJED CC(C)(C)[C@@H](C#N)OC(=O)Cc1coc2ccc3ccccc3c12 765630196 TUODGNYELBASSK-QGZVFWFLSA-N 321.376 4.610 30 20 DJED CC[C@H](N[C@@H](CC)c1ccccc1OC)c1ccc(C#N)cc1 774124271 VEUZSHPXKNBISO-OALUTQOASA-N 308.425 4.759 30 20 DJED C[C@H](CCc1ccccc1)CNc1ccccc1O[C@H](C)C#N 779989776 ZYUFGZTYQYCHIZ-IAGOWNOFSA-N 308.425 4.658 30 20 DJED Oc1nc(NN=C2CCC3(CCCCC3)CC2)nc2ccccc12 786038254 TXUVWUPQXQFQLZ-UHFFFAOYSA-N 324.428 4.628 30 20 DJED Cc1ccc([C@H](C)OC(=O)C[C@@H](CC#N)c2ccccc2)cc1 796786547 SHOACECVZKBFPY-QFBILLFUSA-N 307.393 4.687 30 20 DJED C[C@@H](OC(=O)CCCCCC#N)c1ccc(Br)cc1 805867599 MIEXRWXIIBVCIT-GFCCVEGCSA-N 324.218 4.527 30 20 DJED CCOc1ccc(O)c(C=Nc2ccc(-c3ccccn3)cc2)c1 811625210 GWTZYNYZPBRPOG-UHFFFAOYSA-N 318.376 4.604 30 20 DJED C=CCCCCCCCNC(=O)C1(c2cccnc2)CCCC1 813257189 TVELKJWJBNTGAV-UHFFFAOYSA-N 314.473 4.536 30 20 DJED C=CCC(C)(C)CNC(=O)c1c(Cl)ccc(Cl)c1Cl 817457572 UATPHAQHKRYEEI-UHFFFAOYSA-N 320.647 4.979 30 20 DJED C=C(Cl)CS[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C 853784128 YFUJMXYSDXFNSB-ZDUSSCGKSA-N 311.878 4.931 30 20 DJED CCCCCCCCC(=O)N1CCC([C@@H]2CCCCO2)CC1 855950651 LESWEDFSBQDFJN-SFHVURJKSA-N 309.494 4.545 30 20 DJED Cc1ccc(C)c(C(=O)/C=C\c2ccccc2OC(F)F)c1 916156025 YKXLPIPWQRHADC-KTKRTIGZSA-N 302.320 4.801 30 20 DJED CCCCCCCCC(=O)Nc1ccc(C)c(NC(C)=O)c1C 917829018 ZDWMVSIOKSVSQN-UHFFFAOYSA-N 318.461 4.951 30 20 DJED COc1ccc(O)c(C=Nc2cccc(Nc3ccccc3)c2)c1 920942275 VHXLRBKMWHTUQH-UHFFFAOYSA-N 318.376 4.895 30 20 DJED C#CCN(C(=O)Nc1c(C(C)C)cccc1C(C)C)C(C)C 929141464 OAGHUHOSFKJTQX-UHFFFAOYSA-N 300.446 4.809 30 20 DJED CC(C)[C@H](CC1CCCCC1)C(=O)[C@@H](C#N)c1cccc(F)n1 1122714535 LUTNWMQEDZEQGC-HOTGVXAUSA-N 316.420 4.640 30 20 DJED C=C(Br)CSc1nc2cc(F)cc(Cl)c2o1 1166029722 HKSOWZSWKHBECA-UHFFFAOYSA-N 322.586 4.621 30 20 DJED CCC[C@@H](CCc1ccccc1)NCc1ccc(C#N)cc1F 1177924550 LICSNNSMTNMTRJ-IBGZPJMESA-N 310.416 4.588 30 20 DJED N#Cc1ccc(N[C@H]2C[C@H]2C2CCCCC2)cc1Br 1185555520 UCTRMODWDKQIFC-HOCLYGCPSA-N 319.246 4.701 30 20 DJED Cc1cc(C(F)(F)F)ccc1CN(C)Cc1cccc(C#N)c1 1232004959 HGEFDQXWICIWFO-UHFFFAOYSA-N 318.342 4.518 30 20 DJED N#Cc1cccc(CN2CCC[C@@H]2c2cccc(Cl)c2)c1F 1249691534 OJIWHMBQHXEGKX-QGZVFWFLSA-N 314.791 4.688 30 20 DJED CC(C)Cn1ccc2c(C(=O)O[C@H]3CCC[C@H](C#N)C3)cccc21 1275464223 KXINQSVLXINCCB-HOTGVXAUSA-N 324.424 4.536 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC/C=C/c1cccc(F)c1 1308429157 ZQIDVRIGLLHSTJ-GQCTYLIASA-N 310.372 4.610 30 20 DJED C[C@H](C#N)Oc1ccccc1NC[C@@]1(C)C[C@@H]1c1ccccc1 1308635554 OHXPCLSWSREDPP-WRWLIDTKSA-N 306.409 4.583 30 20 DJED CC(C)CN(C(=O)c1csc(C#N)c1)c1ccc(Cl)cc1 1348096354 ZWZQZLITNZJSDO-UHFFFAOYSA-N 318.829 4.576 30 20 DJED CC[C@H](OC(=O)c1ccc(C#N)s1)c1ccc(Cl)cc1F 1435810132 PUUQOPQBNBXOGE-ZDUSSCGKSA-N 323.776 4.720 30 20 DJED N#CC[C@H](C(=O)OCc1cc2ccccc2s1)c1ccccc1 1436466291 ZQGXSWMSFLQMFB-KRWDZBQOSA-N 321.401 4.642 30 20 DJED COc1ccc([C@@H](C)SCc2cc(C#N)ccc2OC)cc1 1458921161 LOQVLGCIKHQGTF-CYBMUJFWSA-N 313.422 4.570 30 20 DJED CC(C)c1ccc(N(C)C(=O)[C@H](C#N)CCc2ccccc2)cc1 1465827457 MLRSURHZAWOREL-IBGZPJMESA-N 320.436 4.545 30 20 DJED CC(C)C[C@H](C(=O)NCC(C)(C)CC#N)c1ccc(Cl)cc1 1583480387 OJDNTOQJZZSDMZ-INIZCTEOSA-N 320.864 4.526 30 20 DJED C[C@@H]1C[C@H](OC(=O)c2cccc(SCC#N)c2)CC(C)(C)C1 1623447802 PPGMJVYTRCHBHW-HIFRSBDPSA-N 317.454 4.674 30 20 DJED CC(C)(C#N)c1ccccc1COc1ccc(Cl)c(F)c1 1641041157 MECJJTVQBYIAMC-UHFFFAOYSA-N 303.764 4.859 30 20 DJED C[C@]1(CCc2ccccc2)CCN(c2cccc(F)c2C#N)C1 1642370957 XXTKBSKVJQVBIA-FQEVSTJZSA-N 308.400 4.547 30 20 DJED C[C@H](C#N)N(CCCC1CC1)Cc1cccc(C(F)(F)F)c1 1646331440 TZXSZFFSPYBUAL-CYBMUJFWSA-N 310.363 4.610 30 20 DJED COCc1ccccc1/C=C(\C)CNc1cc(C)cc(C#N)c1 1651210579 MPMDAEGECOLJEB-CXUHLZMHSA-N 306.409 4.529 30 20 DJED Cc1cc(C#N)ccc1CN(C)Cc1csc2ccccc12 1652274911 HLEVNYHKOTUYGL-UHFFFAOYSA-N 306.434 4.713 30 20 DJED CC1(C)C[C@@H](c2ccccc2)N(c2nc(Cl)c(C#N)s2)C1 1655595940 OBKSPLNWAZLWHD-LBPRGKRZSA-N 317.845 4.646 30 20 DJED N#Cc1ccc(CN2CCC[C@@H]2CCCc2ccccc2)c(F)c1 1657180322 WBYJTWSBYSKLFX-FQEVSTJZSA-N 322.427 4.685 30 20 DJED CC[C@H](C)c1ccc(C=NNc2cccc(C(=O)O)c2C)cc1 1776089631 AMNBKTVRGCFTCM-ZDUSSCGKSA-N 310.397 4.653 30 20 DJED C=Cc1ccc(CN[C@@H](CCCCCCC)CC(=O)O)cc1 1776191995 NZCBHDJATFAHOP-SFHVURJKSA-N 303.446 4.623 30 20 DJED CC[C@@H](C)c1ccc(/C=C\C(=O)c2ccc(C(=O)O)s2)cc1 1776698596 NFHMYRKRNDTWRN-OJIASSBASA-N 314.406 4.856 30 20 DJED C=C(C)COc1cccc(NC(=O)c2cccc(Cl)c2)c1 9824134 PRPUWCNOGGEQSL-UHFFFAOYSA-N 301.773 4.547 30 20 DJED N#Cc1ccc(CNc2ccc3c4c(cccc24)CC3)c(F)c1 11618573 XPOOHPMPUYHSQQ-UHFFFAOYSA-N 302.352 4.561 30 20 DJED N#Cc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1 25011566 DAMDLQMWUXYUPQ-UHFFFAOYSA-N 322.364 4.678 30 20 DJED N#Cc1ccc(C(=O)Nc2ccc(SC3CCCC3)cc2)cc1 30183737 IBLNXFCHDPFRPH-UHFFFAOYSA-N 322.433 4.845 30 20 DJED N#Cc1ccc(CN[C@@H](c2ccccc2)c2cccc(F)c2)cc1 88536497 QIYXNTQIBGWQQR-NRFANRHFSA-N 316.379 4.577 30 20 DJED CCCCCCC[S@](=O)Cc1coc(-c2cccc(F)c2)n1 133058414 RLLAYQZMFVUAPX-JOCHJYFZSA-N 323.433 4.700 30 20 DJED N#CCCCOc1cccc(NCc2ccc(C(F)F)cc2)c1 178665729 UUFQFLPYJQNELN-UHFFFAOYSA-N 316.351 4.919 30 20 DJED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NCCCC#N 184088248 HONCRNITSVXOMM-LLVKDONJSA-N 319.861 4.726 30 20 DJED C[C@@H](NCc1cc(C#N)ccc1F)c1cc2ccccc2s1 184361835 XAJVJFMHXZVFOF-GFCCVEGCSA-N 310.397 4.763 30 20 DJED C=C(C)[C@@H](NCc1csc(C(C)C)n1)c1ccc(F)c(F)c1 187370737 MOWAOWNGIZSICN-MRXNPFEDSA-N 322.424 4.952 30 20 DJED C[C@@H](NCc1ccc(C#N)c(F)c1)c1cccc(C(F)(F)F)c1 192147381 PAEIGIDANSYLRR-LLVKDONJSA-N 322.305 4.567 30 20 DJED Cc1ccsc1CNc1c(C#N)cnc2c(C)cc(F)cc12 301381061 ULKLJDANNJALFS-UHFFFAOYSA-N 311.385 4.536 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C\c1cccc(Br)c1)C2 303271447 HKRPJMXAXUTPRU-ZSOIEALJSA-N 313.194 4.580 30 20 DJED COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2)ccc1SC 303320839 REMOLFBYGWRTHP-FNORWQNLSA-N 312.434 4.930 30 20 DJED CCn1c2ccccc2c2cc(CN(C)[C@@H](C)CC#N)ccc21 337670138 UCRUSWPAVZDPMR-HNNXBMFYSA-N 305.425 4.548 30 20 DJED COc1ccc([C@H](C)[C@H](C)N[C@H](CCC#N)c2ccccc2)cc1 358332339 VRXWYEDTAKFMBM-LLGFUMIMSA-N 322.452 4.822 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CCCc2occc21 360836085 MFRUBVFRQFEIAA-RTBURBONSA-N 306.409 4.586 30 20 DJED Cc1cc([C@@H](C)Nc2nc(C(F)(F)F)ccc2C#N)ccc1F 433620519 YBTWOWHSBAJUMF-SNVBAGLBSA-N 323.293 4.593 30 20 DJED Cc1oc(C#N)cc1C(=O)N(c1ccsc1)C1CCCCC1 439142381 VVDWFQLIFBDONL-UHFFFAOYSA-N 314.410 4.501 30 20 DJED C=CC1CCN(C(=O)Nc2cc(Cl)c(C)cc2Cl)CC1 443939408 CYYTUECMRPOSMT-UHFFFAOYSA-N 313.228 4.732 30 20 DJED N#CCC1(CN[C@@H]2CC=C(c3ccc(Cl)cc3)CC2)CC1 449299367 LYZLKVGPOYSTIV-QGZVFWFLSA-N 300.833 4.559 30 20 DJED CC(C)[C@H]1CCc2ccccc2[C@@H]1NCc1cc(C#N)cs1 462541727 HDYWUEJRQNQZGK-IEBWSBKVSA-N 310.466 4.669 30 20 DJED N#C[C@@H]1CCC[C@H](NCCC(c2ccccc2)c2ccccc2)C1 463278891 DTAWOHDRSAKKJO-NQIIRXRSSA-N 318.464 4.881 30 20 DJED C=CC1CCN(C(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 471909773 JFNQUJOJZMKWPM-NSHDSACASA-N 312.240 4.522 30 20 DJED CC(C)c1cccc(NC(=O)C[C@@H](CC#N)c2ccccc2)c1 474197023 KOGPEFROEHBWGF-GOSISDBHSA-N 306.409 4.836 30 20 DJED C=CCOCCCSc1nc(C)c(C)n1C1CCCCC1 475956218 JAADRVZKMWJZBA-UHFFFAOYSA-N 308.491 4.690 30 20 DJED C=C(C)[C@H](N[C@H](C)c1ccc(OC)cc1)c1ccc(F)c(F)c1 480681902 NKDYCKVVXNPFFX-YJYMSZOUSA-N 317.379 4.941 30 20 DJED C=C(C)[C@H](N[C@H](C)c1cccc(OC)c1)c1ccc(F)c(F)c1 480683140 QABXJWWMWBMFCY-YJYMSZOUSA-N 317.379 4.941 30 20 DJED C=CCN(Cc1ccc(C#N)c(F)c1)Cc1ccc(Cl)s1 483521529 BLGHEAYMDZCTRA-UHFFFAOYSA-N 320.820 4.600 30 20 DJED Cc1ccccc1[C@H](CC(C)C)NCc1ccc(C#N)c(F)c1 484077636 WBCNJBLHSSZQLA-FQEVSTJZSA-N 310.416 4.883 30 20 DJED N#CC1(CCCSc2cc(Cl)ccc2F)CCOCC1 506387218 QVLLAVKZNZYKHB-UHFFFAOYSA-N 313.825 4.672 30 20 DJED N#Cc1ccc(CN2CCC[C@H]2c2ccc(Cl)cc2)s1 507166634 FHVPAIBABYLYEE-INIZCTEOSA-N 302.830 4.610 30 20 DJED CC(C)(C)CN(CCC#N)Cc1ccc(Cl)c2cccnc12 513725622 QZODLBNBDCFXJB-UHFFFAOYSA-N 315.848 4.650 30 20 DJED C=CCOc1cccc(CNCc2cccc(Cl)c2Cl)c1 520966424 KYXMYGFESNRNPY-UHFFFAOYSA-N 322.235 4.848 30 20 DJED C=CCN(Cc1cccs1)C(=O)[C@H](C)c1cccc(Cl)c1 525109223 XNAYCQISMKINMA-CYBMUJFWSA-N 319.857 4.720 30 20 DJED C=CCOc1ccccc1CN[C@@H](c1ccc(OC)cc1)C1CC1 540299398 DCSZRIQTAXVVJW-OAQYLSRUSA-N 323.436 4.501 30 20 DJED C=CCC[C@@H](NCc1ccc(CSC)cc1)c1ccco1 552339680 DAZNJSDFZULZSC-QGZVFWFLSA-N 301.455 4.940 30 20 DJED CC(C)c1ccc2c(c1)[C@@H](NCC(C)(C)CCC#N)CCCO2 554363389 LEIRHOJYJAESSL-SFHVURJKSA-N 314.473 4.943 30 20 DJED CCCC1CCC(N(C)C(=O)c2ccc(C#N)c(Cl)c2)CC1 567008616 UEXLOIBWGDQLTN-UHFFFAOYSA-N 318.848 4.643 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1cc2ccncc2s1 596980216 WJPIJCHOKIIGOI-UHFFFAOYSA-N 321.449 4.579 30 20 DJED N#Cc1ccc(SCc2csc(C3CCCCC3)n2)nc1 603724653 MVWSUSRXYSTKSC-UHFFFAOYSA-N 315.467 4.750 30 20 DJED C=CCCCCCN(C)C(=O)Cc1c[nH]c2cc(Cl)ccc12 606815729 VMVULWJLQBFBAI-UHFFFAOYSA-N 318.848 4.569 30 20 DJED CCC[C@@H]1CCCC[C@@H]1NCc1cccc(OCCCC#N)c1 609122318 BYNHIRJVQKTDDX-QUCCMNQESA-N 314.473 4.818 30 20 DJED CCCC(C#N)(CCC)NC(=O)c1ccc(-c2ccco2)s1 610893926 GPSDQXISWNYRHA-UHFFFAOYSA-N 316.426 4.600 30 20 DJED C=C(C)CN(CC)C(=O)[C@@H](C)c1c(Cl)cccc1Cl 624841951 DISYXDVEWNHVIB-NSHDSACASA-N 300.229 4.522 30 20 DJED C=C(C)[C@H](CC(=O)N(CCCC)[C@H](C)c1ccc(C)o1)OCC 677301992 UJDATNBAACNBJZ-AEFFLSMTSA-N 321.461 4.649 30 20 DJED CCc1cc(Br)ccc1N[C@H](C)CC(C)(C)C#N 695812751 QVSLQQPCHXZKMF-LLVKDONJSA-N 309.251 4.752 30 20 DJED O=C(/C=C/c1cc(Cl)cc(Cl)c1)c1ccc(O)c(F)c1 728438747 MYOSJTKPLHATNS-HNQUOIGGSA-N 311.139 4.734 30 20 DJED Cc1ccccc1-c1cccc(C=NNc2ccc(Cl)nn2)c1 729634072 WQVIWJVKIMWKFG-UHFFFAOYSA-N 322.799 4.551 30 20 DJED C=CCN(CC1CCCCC1)C(=S)Nc1ccc(F)cc1F 732624512 BUDCMBAHKVQQRV-UHFFFAOYSA-N 324.440 4.730 30 20 DJED C=CCN(CC1CCCCC1)C(=S)N[C@@H](C)c1cccs1 732625109 JHYHQLUJKQRQIV-AWEZNQCLSA-N 322.543 4.752 30 20 DJED CC(=NNc1ccc(C#N)cc1)c1cccc(Cl)c1Cl 734979480 IESUWFDFVYJMNH-UHFFFAOYSA-N 304.180 4.701 30 20 DJED O=C(/C=C\c1ccccc1Cl)c1c(Cl)nc2sccn12 741842610 AJTWTVBHJJWIPE-WAYWQWQTSA-N 323.204 4.599 30 20 DJED COc1ccc([C@@H](C)C(C)=NNc2cccc3cnccc23)cc1 747631284 HMENSYZTDHARSC-AWEZNQCLSA-N 319.408 4.835 30 20 DJED N#Cc1ccccc1/C=C/C(=O)c1cc(Cl)sc1Cl 755581546 NYKQJHDZVOZZRA-AATRIKPKSA-N 308.189 4.823 30 20 DJED C#CCCc1noc(C2(Sc3ccc(C)cc3)CCCC2)n1 762011319 YCGXTZOXSINFOF-UHFFFAOYSA-N 312.438 4.505 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1ccc(F)cc1Cl 767729447 PMWUTLXKSSXNDH-VURMDHGXSA-N 320.795 4.769 30 20 DJED CCCCCCCCC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 767974085 WBKIFIYWGASVPL-UHFFFAOYSA-N 324.468 4.925 30 20 DJED C[C@@H](CC(=O)OCCCCC(C)(C)C#N)c1ccc(F)cc1F 768790153 GGVUNSKWTWBLSG-ZDUSSCGKSA-N 323.383 4.722 30 20 DJED C#CC[C@H](N[C@@H](C)c1ccc(N(C)CC)cc1)c1ccccc1 773113805 DZNNTUCPKQJORG-UWJYYQICSA-N 306.453 4.558 30 20 DJED C[C@@H](Nc1cccc(C(F)(F)F)c1)c1ccc(C#N)c(F)c1 777602169 IUVRZQPPOJWHDI-SNVBAGLBSA-N 308.278 4.889 30 20 DJED CC(=NNc1ccc2[nH]ncc2c1)c1cccc(Cl)c1Cl 779819857 ZJWFXFSGKFHQHL-UHFFFAOYSA-N 319.195 4.706 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1ccc(Cl)cc1F 782201196 QHGIEHKEEVBSCG-VURMDHGXSA-N 320.795 4.769 30 20 DJED COc1cc(NN=Cc2ccsc2Cl)ccc1Cl 788472573 XCCOOSBUEMTSMN-UHFFFAOYSA-N 301.198 4.510 30 20 DJED Cc1ccc2c(c1)C/C(=C\c1cnc(-c3ccco3)s1)C2=O 789129569 VRQDVZCBRXXSCO-UKTHLTGXSA-N 307.374 4.534 30 20 DJED O=C(/C=C\c1ccc(C(F)F)cc1)c1cnn(-c2ccccc2)c1 794934407 KBQGYTUXWUMNQW-FLIBITNWSA-N 324.330 4.706 30 20 DJED CCCCCCCCCCC(=O)N1CCC[C@@H]1c1nc(C)no1 804906011 CMWIULOFUULHAH-MRXNPFEDSA-N 321.465 4.572 30 20 DJED C#Cc1cccc(NC(=O)N2C[C@@H](C)CC[C@@H]2c2ccccc2)c1 806183938 ZPSNZYBOXUZYLE-OXJNMPFZSA-N 318.420 4.673 30 20 DJED C=CC[C@H]1N(C(=O)CC[C@H]2CC2(Cl)Cl)CCCC1(C)C 834547587 JGSIDSRLZRSTQQ-QWHCGFSZSA-N 318.288 4.554 30 20 DJED CCCCCCCCCC(=O)Nc1ccc2oc(O)nc2c1 913055682 YLDDKCYDSDGABM-UHFFFAOYSA-N 304.390 4.613 30 20 DJED CCCCCCCCSc1ccc(C(=O)N2CCCC2)cn1 915795366 KIGIHZJQTGWTAZ-UHFFFAOYSA-N 320.502 4.770 30 20 DJED CC(=NNc1cccc(Cl)c1)c1ccc(OC(F)F)cc1 916269308 FRHGYTRXYFVJIB-UHFFFAOYSA-N 310.731 4.778 30 20 DJED O=C(/C=C\c1cn2cc(Cl)ccc2n1)c1cccc(Cl)c1 920755974 VQQVATXFTVYIAW-WAYWQWQTSA-N 317.175 4.537 30 20 DJED N#CCCCOc1cccc(CNc2ccc(C(F)F)cc2)c1 922900224 NJJSSIXYKXKJPA-UHFFFAOYSA-N 316.351 4.919 30 20 DJED CCCCc1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)cc1 1127296503 IARGILVMNUAPQI-HXUWFJFHSA-N 320.436 4.804 30 20 DJED CC(C)c1ccccc1COc1nc(C(C)(C)C)ccc1C#N 1189574897 PKVYYZICLWXAIP-UHFFFAOYSA-N 308.425 4.953 30 20 DJED CCC1(CNC(=O)Nc2ccc(C#N)cc2Cl)CCCCC1 1215837656 BTQMNAOKEBEATA-UHFFFAOYSA-N 319.836 4.694 30 20 DJED Cc1cccc(C)c1CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 1459534730 XTDFJROEICICMO-PZJWPPBQSA-N 304.437 4.575 30 20 DJED CCC1(CC)CN(C(=O)C2(C#N)CCCCC2)c2ccccc21 1526538470 SPHMRKGBGUIKLP-UHFFFAOYSA-N 310.441 4.565 30 20 DJED Cc1ccc(CNc2ccc(C#N)c(C)n2)c(OCCC(C)C)c1 1559131426 XMYVUDJXGPXFBX-UHFFFAOYSA-N 323.440 4.607 30 20 DJED N#CC1(CCN2CCCc3cc(F)cc(F)c32)CCCCC1 1559483480 LNECCGTYCDMCDN-UHFFFAOYSA-N 304.384 4.582 30 20 DJED CC(C)(C#N)CCN1CCc2ccccc2[C@@H]1Cc1ccccc1 1616382385 KPIHQOUMJVKRRV-NRFANRHFSA-N 318.464 4.768 30 20 DJED C[C@@]1(CCc2ccccc2)CCN(Cc2ccc(F)c(C#N)c2)C1 1644759331 OOFOVETWIFJJFH-OAQYLSRUSA-N 322.427 4.542 30 20 DJED Cc1cccc(Oc2ccc(Nc3cc(C#N)nc(C)n3)cc2)c1 1651280544 DLDQZGGHNZEYRW-UHFFFAOYSA-N 316.364 4.501 30 20 DJED CC(C)CC[C@@H]1CC[C@H](Nc2ccccc2O[C@H](C)C#N)C1 1658578182 WYTQBJSHIWDXOA-ZACQAIPSSA-N 300.446 4.994 30 20 DJED CC(C)(C)C1CCC(CNc2ccc(F)cc2OCC#N)CC1 1658791579 LNGRQQALUHMXHQ-UHFFFAOYSA-N 318.436 4.992 30 20 DJED Cc1cccc(CNc2cccc(C#N)c2C)c1Br 1662557020 YTOOYZXSVWGSBN-UHFFFAOYSA-N 315.214 4.550 30 20 DJED Cc1cccc([C@H](NC(=O)Nc2cccc(C#N)c2)C(C)(C)C)c1 1666934564 NEADWPXPIXSWSC-SFHVURJKSA-N 321.424 4.776 30 20 DJED C=CCCCCCC(C)=NNc1ccc(Cl)c(C(=O)O)c1 1776033911 XDHITUMUMNKHCK-UHFFFAOYSA-N 308.809 4.963 30 20 DJED CC(=NNc1cccc(C(=O)O)c1)c1ccc(C(C)(C)C)cc1 1776036628 KIFSHMRBFRBFCY-UHFFFAOYSA-N 310.397 4.518 30 20 DJED CC(C)Cc1ccc(C(=O)/C=C\c2ccc(C(=O)O)s2)cc1 1776339631 HFPCJHUOZYPNCX-CLFYSBASSA-N 314.406 4.541 30 20 DJED CC[C@H](C)c1ccc(C(=O)/C=C\c2cccc(C(=O)O)c2)cc1 1776697831 PRXCZZJWIQNFID-VDBIKXPHSA-N 308.377 4.794 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1cccc(CC)c1 43333727 KJIYSEWYFBBOLT-UHFFFAOYSA-N 300.427 4.531 30 20 DJED CC(C)CC(C)(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 84542848 SQAFCXKQBOCSMP-AWEZNQCLSA-N 318.486 4.949 30 20 DJED CCC[C@H](CC)NC(=O)Nc1ccccc1SC[C@@H](C)C#N 108533160 PEMASQMVVSMFIV-KBPBESRZSA-N 319.474 4.639 30 20 DJED CCOc1cccc2cc(C(=O)/C=C/c3cnn(C(C)C)c3)oc12 171981704 UCSYYSPFADGXHW-CMDGGOBGSA-N 324.380 4.505 30 20 DJED C=CCOc1ccccc1CN[C@H](C)c1ccc2ccccc2n1 178089827 GAHRSEDOYYCYJL-MRXNPFEDSA-N 318.420 4.650 30 20 DJED CC(C)CCN(CCC#N)C(=O)c1ccc(SC(C)C)cc1 349388120 UYGXAPNWQATGEC-UHFFFAOYSA-N 318.486 4.589 30 20 DJED N#C[C@H]1CC[C@@H](N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 424317326 BWMOQNIWKODGMY-KYNGSXCRSA-N 310.828 4.711 30 20 DJED C=CCC[C@H](NC(=O)Nc1ccccc1N(C)C)c1ccccc1 435666673 AOWNDNVBDJRZRX-KRWDZBQOSA-N 323.440 4.582 30 20 DJED C=CCC[C@H](NC(=O)N1Cc2cccc(F)c2C1)c1ccccc1 458583341 SBMVLIBDLGNANI-IBGZPJMESA-N 324.399 4.558 30 20 DJED C=CC[C@@H](CC)N[C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 467417282 KGLIHRNBYLNGTD-NVXWUHKLSA-N 317.477 4.566 30 20 DJED CC(C)(C)C(=O)c1ccc(NCc2ccc(F)c(C#N)c2)cc1 467776735 MVVIRQRFUPGNNC-UHFFFAOYSA-N 310.372 4.538 30 20 DJED C=CCC(CC=C)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 467816638 HNUFJCSOLZOIRM-FQEVSTJZSA-N 323.411 4.800 30 20 DJED C=CC[C@H]1N(C(=O)CCc2ccc3[nH]ccc3c2)CCCC1(C)C 470307158 HMNBDXFTAHAACI-LJQANCHMSA-N 324.468 4.694 30 20 DJED CC(C)(CCC#N)CN1CCC(Cc2ccc(F)c(F)c2)CC1 470545064 BGKUUGIJTGONOF-UHFFFAOYSA-N 320.427 4.549 30 20 DJED C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccccc1 483915767 ILGNUOKXDWKVOA-ZDUSSCGKSA-N 324.449 4.631 30 20 DJED N#Cc1ccc(C(=O)Nc2ccccc2-c2cccs2)s1 486636738 GBKVPOFNIPUCJH-UHFFFAOYSA-N 310.403 4.601 30 20 DJED Cc1cccc2cc(C(=O)Nc3ccc(C#N)c(Cl)c3)oc12 488380466 BVFRMPNDAGASGU-UHFFFAOYSA-N 310.740 4.519 30 20 DJED C=CCC1(C(=O)Nc2cc(Cl)cc3cccnc23)CCC1 517271213 IZVOGHCMBYFVMF-UHFFFAOYSA-N 300.789 4.573 30 20 DJED N#CC1(C(=O)NCC2CCC(c3ccccc3)CC2)CCCCC1 517438209 WYYDHQJLTYMSGE-UHFFFAOYSA-N 324.468 4.551 30 20 DJED CCCC(CCC)SCC(=O)Nc1cc(Cl)ccc1C#N 521180125 VZJFYHAWBLFASX-UHFFFAOYSA-N 324.877 4.852 30 20 DJED CN(c1ccccc1NCc1ccc(CC#N)cc1)C1CCCC1 541292362 NUTFDXMURUWOKB-UHFFFAOYSA-N 319.452 4.744 30 20 DJED N#CCc1ccc(CN[C@@H](c2cccc(F)c2)C2CCCC2)cc1 542254229 QQWDENHMXNTSKV-OAQYLSRUSA-N 322.427 4.913 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@H]2CCC[C@@H]2c2ccccc2)c1 542504943 KBDGFSOEKNHCDO-MOPGFXCFSA-N 304.393 4.509 30 20 DJED CC[C@H](C)[C@@H](NCc1nc(C#N)cs1)c1ccc(Cl)cc1 554972035 UFDRYFWBYVYXRF-MEDUHNTESA-N 319.861 4.545 30 20 DJED CC[C@@H](N[C@@H](C)c1c(F)cccc1F)c1ccc(C#N)cc1 569553515 WXIPZPHEEDIDSS-YVEFUNNKSA-N 300.352 4.638 30 20 DJED C=CCCCCCN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1Cl 573142472 XBJLFJONSMSBKI-JKSUJKDBSA-N 305.849 4.648 30 20 DJED CC(C)(CCC#N)CN1CC[C@@H](C(F)(F)F)c2ccccc21 581316572 DAWJGEUDWVNQGM-CQSZACIVSA-N 310.363 4.873 30 20 DJED N#CC[C@H]1CCCN(c2ccc3ccc(Cl)c(Cl)c3n2)C1 596328105 GEDSHERRPMAKCE-LLVKDONJSA-N 320.223 4.672 30 20 DJED CC(C)=C[C@@H]1[C@@H](C(=O)N(Cc2ccc(C#N)cc2)C(C)C)C1(C)C 603527623 XFDOSHUEDUCZOP-MOPGFXCFSA-N 324.468 4.534 30 20 DJED N#CCc1ccc(NCc2c(Cl)cccc2OC(F)F)cc1 612691820 NIFXCIITMYDTEE-UHFFFAOYSA-N 322.742 4.620 30 20 DJED N#C[C@H]1CCC[C@@H](Nc2ccc(F)cc2OC2CCCC2)C1 613252170 ATRGRCANLCBTJX-DZGCQCFKSA-N 302.393 4.641 30 20 DJED CC[C@H](NCc1ccc(OC(C)(C)C)cc1)c1ccc(C#N)cc1 618572988 GHRMDACFEPMHQE-FQEVSTJZSA-N 322.452 4.976 30 20 DJED CC(C)(CCC#N)CNCc1ccc(-c2ccco2)cc1F 619197432 VUJFRSPOQQZRMA-UHFFFAOYSA-N 300.377 4.505 30 20 DJED C=C(C)COc1cccc(NCc2cccc(O)c2Cl)c1 645166740 LXKIJQAAEJIXOB-UHFFFAOYSA-N 303.789 4.613 30 20 DJED Cc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 677083362 KDAXOVOGUOWAQX-INIZCTEOSA-N 320.779 4.687 30 20 DJED C=CCN(CC=C)C(=O)N[C@@H](CCCCC)c1ccccc1 728137146 RGIVPBGAXIJHPD-SFHVURJKSA-N 300.446 4.692 30 20 DJED O=C1/C(=C/c2csc3ccccc23)COc2ccc(F)cc21 731565694 YBBNMKXJQOPNSR-YRNVUSSQSA-N 310.349 4.699 30 20 DJED O=C1/C(=C\c2ccnc3ccccc23)CSc2c(F)cccc21 731835502 GKLPGGKVYNWKHD-RAXLEYEMSA-N 321.376 4.746 30 20 DJED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)C(C)C)n2)cc1 733679022 AFUUZPTUBMXLFS-ZFWWWQNUSA-N 312.438 4.587 30 20 DJED N#Cc1cccc(Cl)c1NC[C@@H](O)c1ccc2ccccc2c1 742405094 DPWWAEWLDPWCAZ-GOSISDBHSA-N 322.795 4.510 30 20 DJED C=CCCCCCN(C)Cc1cccc(SC(=O)N(C)C)c1 752299308 YXXNHIINOSOJIS-UHFFFAOYSA-N 320.502 4.639 30 20 DJED C/C=C(/C=C\C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)CC 765474698 GBYDLWWOQSKEDW-CYLHUQKGSA-N 323.223 4.587 30 20 DJED C#CCCCCC(=O)Nc1ccccc1Oc1cccc(F)c1 773278475 CSFHHAIBTAHKEI-UHFFFAOYSA-N 311.356 4.750 30 20 DJED CC(=NOC1CCOCC1)c1ccc(C2CCCCC2)cc1 774433498 OWLRDSHOPTZFCJ-UHFFFAOYSA-N 301.430 4.654 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2cccc(C(F)(F)F)c2)cc1F 776729079 PGKREDDRDUMGTI-DAXSKMNVSA-N 319.257 4.612 30 20 DJED CC(C)(C)C[C@H](/N=C\c1cc2ccccc2nc1O)C(F)(F)F 777873032 GHSCJSWEZYYWJI-LKEIMFIWSA-N 324.346 4.726 30 20 DJED Cc1ccc(CC[C@H](C)Nc2ccccc2O[C@H](C)C#N)cc1 780745443 PVWGRWZOFWXGOS-DLBZAZTESA-N 308.425 4.719 30 20 DJED Cc1c(C(=O)/C=C\c2cc(Cl)cs2)cnn1C(C)(C)C 782354429 MCPGZAWFIRGRPQ-WAYWQWQTSA-N 308.834 4.558 30 20 DJED CC[C@H](NCc1ccc(C#N)cn1)c1ccc(Cl)c(Cl)c1 783300720 QMYBYNZKKRSCDM-INIZCTEOSA-N 320.223 4.501 30 20 DJED COc1cccc(NN=C2CC(c3ccc(Cl)cc3)C2)c1 783816659 SMDJENJMTAGAIR-UHFFFAOYSA-N 300.789 4.694 30 20 DJED CN(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CCCCCCC1 793308740 ISXJYEMNQMGLOM-UHFFFAOYSA-N 312.457 4.673 30 20 DJED FC(F)(F)CON=CCCc1ccc(-c2ccccc2)cc1 794920545 NOGYOZYHZPZQTP-UHFFFAOYSA-N 307.315 4.851 30 20 DJED CC[C@@H]1CCCC[C@H]1C(=O)[C@H](C#N)c1ccc2ccccc2n1 796627442 AXODFMICLJSGJC-DJIMGWMZSA-N 306.409 4.627 30 20 DJED Cc1cc(-c2cccc(Cl)c2)ccc1NCCO[C@H](C)C#N 802742578 RALPDXLPRSJYFA-CQSZACIVSA-N 314.816 4.656 30 20 DJED O=C(/C=C\c1ccc(C(F)F)cc1)c1cc(F)ccc1[N+](=O)[O-] 806560355 MHGJPOJSXSQUTD-BAQGIRSFSA-N 321.254 4.568 30 20 DJED C#C[C@H](NCc1cnc(C2CCC2)s1)c1ccc(Cl)cc1 811516281 IORPDCXNWRQCSF-INIZCTEOSA-N 316.857 4.528 30 20 DJED CCC(=NNCCC(F)(F)F)C12CC3CC(CC(C3)C1)C2 811648636 VTRQWDIVHOCUKW-UHFFFAOYSA-N 302.384 4.511 30 20 DJED CC(C)C(CCc1ccc(Cl)cc1)=NNC[C@H]1CCSC1 811658964 QKMMJYYMHSNBRX-OAHLLOKOSA-N 324.921 4.627 30 20 DJED CCCCCCCCNC(=O)N1CC(C)(C)[C@H]1c1cccnc1 813695409 UETFNDNDKGGKLW-QGZVFWFLSA-N 317.477 4.535 30 20 DJED C=CCN(CC1CCCCC1)C(=S)Nc1cccc(F)c1 899470701 MKTNEFMCCVTDQN-UHFFFAOYSA-N 306.450 4.591 30 20 DJED CC[C@@H](N[C@@H](C)c1nc2ccccc2s1)c1cccc(C#N)c1 902804053 MIGJHSXGMYFJER-XJKSGUPXSA-N 321.449 4.970 30 20 DJED C[C@@H](CC(C)(C)C#N)Nc1cccc(C2SCCS2)c1 925920286 RPYIOYSSQTYAFT-LBPRGKRZSA-N 306.500 4.905 30 20 DJED N#Cc1ccccc1SC[C@H](O)c1cccc2ccccc12 1165680180 QRGGDSCVIYVETL-SFHVURJKSA-N 305.402 4.537 30 20 DJED CC(C)O[C@@H](COc1ccc(C#N)c(Cl)c1)c1ccccc1 1166012412 FXHRCBYBQCJMGT-SFHVURJKSA-N 315.800 4.757 30 20 DJED Cc1c(C)c(C)c(CN(CCC#N)CCC(C)C)c(C)c1C 1167558409 NHZRVZMNGISSMO-UHFFFAOYSA-N 300.490 4.990 30 20 DJED Cc1cc(C)c(/C=C\CN(C)Cc2ccc(C#N)cc2)cc1C 1204721800 PYWZODZHCOIGGB-WAYWQWQTSA-N 304.437 4.629 30 20 DJED Cc1cc(C)c(/C=C/CNc2cccc(OCC#N)c2)cc1C 1205340960 OYDPMMJZWVZXBC-AATRIKPKSA-N 306.409 4.640 30 20 DJED N#Cc1cccc(Oc2ccc(Nc3ncc(Cl)cn3)cc2)c1 1306964931 PKPAESZRNCCIQN-UHFFFAOYSA-N 322.755 4.538 30 20 DJED N#CCOc1ccc(CSc2ncc(-c3ccccc3)o2)cc1 1318339379 SLKWOLRNBIGADH-UHFFFAOYSA-N 322.389 4.536 30 20 DJED CC[C@@H](CC1CCCC1)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 1436850073 PBRKIKTXUKLWBO-PXNSSMCTSA-N 324.468 4.658 30 20 DJED Cc1ccc(C#N)c(NCCc2ccc(-c3ccccc3)cc2)n1 1458239337 WKIJTHGWIQOHPI-UHFFFAOYSA-N 313.404 4.583 30 20 DJED Cc1ccc(C(=O)N[C@@H](CC2CCC2)c2ccccc2)cc1C#N 1458388275 WKODSKWDEUCNAJ-FQEVSTJZSA-N 318.420 4.528 30 20 DJED Cc1c(Cl)cnc(N2CCC[C@@H]2CC2CCCCC2)c1C#N 1472675473 WUJIZLZQPLOBFF-OAHLLOKOSA-N 317.864 4.854 30 20 DJED N#Cc1ccc(SCCc2c(F)cccc2F)c(Cl)c1 1473005774 SHWUAVMKCAJNKW-UHFFFAOYSA-N 309.768 4.825 30 20 DJED CC(C)CCN(CCC#N)Cc1cc(F)cc(C(F)(F)F)c1 1474340285 XVXFKOHYYWRXTG-UHFFFAOYSA-N 316.342 4.606 30 20 DJED CCOc1cccc([C@H](CC)OC(=O)C2(C#N)CCCCC2)c1 1515717666 UFZDKLIZBNGJRK-KRWDZBQOSA-N 315.413 4.554 30 20 DJED Cc1oc(-c2ccccc2)cc1C(=O)Nc1cc(F)cc(C#N)c1 1535374918 GJUGRDSGHINROD-UHFFFAOYSA-N 320.323 4.518 30 20 DJED CC(C)[C@@H]1C[C@@H](OC(=O)c2sccc2C#N)c2ccccc21 1543567327 FHETWSKABLYUSR-JKSUJKDBSA-N 311.406 4.661 30 20 DJED CCCC1(C(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)CC1 1544390620 KSTQTRIWANBDLG-NEPJUHHUSA-N 316.470 4.824 30 20 DJED Cc1ccc(C[C@H](C#N)S[C@@H]2CCOc3ccccc32)cc1 1559385285 JJRICUMJLDWHQU-VQIMIIECSA-N 309.434 4.687 30 20 DJED N#Cc1cc(CN2C[C@@H]3CCCC[C@@]32c2ccccc2)ccc1F 1559603724 HFVJWBMKXYECNR-PZJWPPBQSA-N 320.411 4.599 30 20 DJED N#Cc1cccc(Nc2ccc(OCC3CCCCC3)cc2)n1 1611889695 VEILZYRJHBLOSM-UHFFFAOYSA-N 307.397 4.656 30 20 DJED Cc1ccc([C@H](C)CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 1621132579 ZHZYZQOORWPODU-COPCDDAFSA-N 318.464 4.870 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C[C@H](CC)c1ccccc1 1621180861 DUUGNMGCORRZMT-FQEVSTJZSA-N 306.453 4.964 30 20 DJED Cc1cc(N2CCC[C@H]2c2cccc3ccccc23)ncc1C#N 1642131625 RCRDFOCKYWMIPQ-FQEVSTJZSA-N 313.404 4.756 30 20 DJED C[C@H](CN(C)c1nc(C(C)(C)C)ccc1C#N)C1CCCCC1 1643040638 ZPTSZYIZCSEDTO-OAHLLOKOSA-N 313.489 4.903 30 20 DJED O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 33662282 QKIMIKVYSGPLAG-RAXLEYEMSA-N 303.317 4.644 30 20 DJED CCCCc1nc(CSCc2ccc(C#N)cc2)cs1 60522521 WGPMBOVEPRAAMG-UHFFFAOYSA-N 302.468 4.791 30 20 DJED CC(C)(C)c1csc(NC(=O)CC2CCCCC2)c1C#N 75297707 WPLOBFPROCRBSL-UHFFFAOYSA-N 304.459 4.826 30 20 DJED CC(C)(C#N)CCSc1ncc(C(F)(F)F)cc1Cl 78917057 NGVKLEQFCSKNRR-UHFFFAOYSA-N 308.756 4.786 30 20 DJED COc1ccc(/C=C/C(=O)c2cc3cc(Cl)ccc3o2)cc1 96887908 XPAIFPBWUNECHF-XBXARRHUSA-N 312.752 4.991 30 20 DJED COc1ccc(CN[C@H](C)c2cccc3ccccc23)cc1C#N 124932454 LSLGDSFJKIQMEW-OAHLLOKOSA-N 316.404 4.571 30 20 DJED CN(c1ccccc1NCc1ccc(C#N)s1)C1CCCC1 152520296 BBZYCBUQERTHML-UHFFFAOYSA-N 311.454 4.611 30 20 DJED C[C@@H]1CCCCN1Cc1ccc(NCC(C)(C)CCC#N)cc1 156083227 SQUBDSVGVMQQFE-QGZVFWFLSA-N 313.489 4.803 30 20 DJED N#Cc1ccc(/C=C/c2ccc(-c3cccs3)cc2F)nc1 195689318 OFBZWFHPKPGGKI-SOFGYWHQSA-N 306.365 4.991 30 20 DJED C[C@H](Nc1ccc2cc(C#N)ccc2n1)c1cccc(F)c1F 301953716 IKNZOCSFFMEBEU-NSHDSACASA-N 309.319 4.558 30 20 DJED C=C(C)COc1cccc(NC(=O)c2ccc(SC)cc2)c1 303214458 SMSXHMMQTOPSEF-UHFFFAOYSA-N 313.422 4.616 30 20 DJED N#CCOc1cccc(NCc2c(Cl)oc3ccccc23)c1 316921117 MCLKGYDPKYDNGC-UHFFFAOYSA-N 312.756 4.601 30 20 DJED O/C(Cc1noc2ccccc12)=N/[C@@H]1CCCCC12CCCC2 329756769 YVICVFSBZMXAQX-QGZVFWFLSA-N 312.413 4.830 30 20 DJED C[C@]1(C(=O)Nc2ccc(CC#N)cc2Cl)C[C@@H]1c1ccccc1 413844127 QSIKRWQPVDNNRY-BEFAXECRSA-N 324.811 4.538 30 20 DJED Cc1ccc(/C=C\CC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 440530208 JENSFUWJUKYBIQ-PLNGDYQASA-N 318.420 4.838 30 20 DJED Cc1cccc([C@H](NC2CCC(C)(C#N)CC2)c2ccccn2)c1 449212421 VASVMRBEEGWZHF-CKHPTIKVSA-N 319.452 4.542 30 20 DJED C[C@H](C(=O)Nc1ccccc1NC(C)(C)C)c1cccc(C#N)c1 464498033 KCGNZKAAHBSYPR-AWEZNQCLSA-N 321.424 4.511 30 20 DJED C=C[C@H](C)NC(=O)Nc1ccc(Sc2ccccc2)cc1C 465161298 AUOYCZVMQODFAW-AWEZNQCLSA-N 312.438 4.842 30 20 DJED CCCC[C@@H]1CCC[C@H]1NC(=O)C[C@@H](CC#N)c1ccccc1 475599350 HNVDKEIUHRYLBG-GUDVDZBRSA-N 312.457 4.549 30 20 DJED C=C(C)[C@H](NCc1cnc(C(C)C)s1)c1ccc(F)c(F)c1 479406140 BECYUXMOHVFSTK-INIZCTEOSA-N 322.424 4.952 30 20 DJED CC[C@@H](C)Sc1ccc(NC(=O)N(C)C[C@H](C)C#N)c(C)c1 509970761 NCGXAJJNRXBRFE-TZMCWYRMSA-N 319.474 4.509 30 20 DJED CC[C@@](C)(C#N)C(=O)Nc1cccc(CSC2CCCC2)c1 513295094 DJPWZMDJCCYFEY-SFHVURJKSA-N 316.470 4.741 30 20 DJED C=CCN(CC=C)C(=O)Nc1cccc(Oc2ccccc2)c1 520599207 IIBXMYMLOQHTNW-UHFFFAOYSA-N 308.381 4.685 30 20 DJED C[C@@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(C)(C)C 524538626 BFPPJEZARBWGNA-AWEZNQCLSA-N 322.408 4.971 30 20 DJED C=CC[C@H](C)[C@@H](C)NCC1(c2ccc(Cl)cc2)CCOCC1 540191178 LYZHQBXISZIXPA-JKSUJKDBSA-N 321.892 4.579 30 20 DJED C=CCCO[C@@H](C)c1nc(CCCc2ccccc2Cl)no1 544937508 MPBYRSYLMNLKLX-ZDUSSCGKSA-N 320.820 4.552 30 20 DJED C[C@@H](NC1(c2ccc(Cl)cc2)CCC1)c1ccc(C#N)cc1 551813261 FAEUJMYWSZVLNV-CQSZACIVSA-N 310.828 4.942 30 20 DJED C=CCCCCCN(C)C(=O)c1ccc(Oc2ccccc2)cn1 554596096 WRRFVIVYBOBDSI-UHFFFAOYSA-N 324.424 4.692 30 20 DJED CC(C)(C#N)c1ccccc1CSc1cccc(F)c1C#N 555874317 UYSDSNSBFZJXRH-UHFFFAOYSA-N 310.397 4.791 30 20 DJED N#Cc1cccc(C2(NCc3csc(Cl)c3Cl)CC2)c1 556407238 JJFSLZONYZYTHR-UHFFFAOYSA-N 323.248 4.705 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@@H]2CCc3sc(Cl)cc32)c1 564561830 LFDQEOJZKABNOX-CYBMUJFWSA-N 316.813 4.575 30 20 DJED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cccc(C3CC3)c2)s1 576362076 ZGXWCVNIOUQTLX-OAHLLOKOSA-N 324.449 4.808 30 20 DJED CC(C)n1c([C@H]2CCCN2C[C@H](C)CCC#N)nc2ccccc21 602471821 JGAPSEZQKWAYCH-VQIMIIECSA-N 324.472 4.694 30 20 DJED COc1ccc(C#N)cc1CNC(C)(C)c1ccc(C(C)C)cc1 610988030 GXLPJGZWHBKCDV-UHFFFAOYSA-N 322.452 4.715 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@H](C)c1ccco1 623491719 AEBQTZCQPJBRSD-LBPRGKRZSA-N 323.845 4.703 30 20 DJED C=CC[C@@H](CC)NC(=O)c1cnc(-c2ccccc2Cl)s1 684938925 JDNKIKBTNCRQJE-LLVKDONJSA-N 320.845 4.548 30 20 DJED CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1sccc1C 733747874 VYHZGJHNSYZUND-UHFFFAOYSA-N 323.343 4.783 30 20 DJED COc1ccccc1-c1ccc(C=NOCc2ccccc2)cc1 741458423 LXNDVKHONZBLRL-UHFFFAOYSA-N 317.388 4.913 30 20 DJED CSc1ccc(C(=O)/C=C/c2ccc3ncccc3c2)cc1F 741846732 ICEBWMNDHADRJL-VMPITWQZSA-N 323.392 4.992 30 20 DJED CC(C)c1noc([C@@H](C)ON=Cc2ccc(C(C)(C)C)cc2)n1 744444178 SDEOCLKPUFLNIC-CYBMUJFWSA-N 315.417 4.602 30 20 DJED CCc1ccc(C(=O)/C=C\c2c(C)nn(-c3ccccc3)c2C)o1 752237955 LHPSGNXHUXBCTC-QXMHVHEDSA-N 320.392 4.541 30 20 DJED C#CCCCCCC(=O)Nc1ccccc1COC(C)(C)CC 754583706 WLDLMOLYSBUTSY-UHFFFAOYSA-N 315.457 4.914 30 20 DJED CCSc1ccc(C(=O)/C=C\c2csc([N+](=O)[O-])c2)cc1 755604950 TYKSZTYSQNKXOK-BAQGIRSFSA-N 319.407 4.664 30 20 DJED O=C(/C=C\c1ccc(OCC(F)F)cc1)c1cc(F)ccc1F 757474066 IPMBKLAMBXMHIC-BAQGIRSFSA-N 324.273 4.505 30 20 DJED C#CCCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1 758433554 JCKQUZGIJNAHOA-UHFFFAOYSA-N 324.449 4.569 30 20 DJED O=C1/C(=C\c2ccc3ncccc3c2)[C@H]2CCCc3cccc1c32 763291365 XJOJIYQRNSLRJS-MCRQTXEHSA-N 311.384 4.935 30 20 DJED O=C(/C=C\c1sccc1Br)c1ccc(F)cc1 764915129 LQCNEKCMKLUDQX-WAYWQWQTSA-N 311.175 4.546 30 20 DJED CC(C)(C#N)CCCCOC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 768648550 JWTKCUDUSYEHQS-HOTGVXAUSA-N 319.832 4.707 30 20 DJED FC(F)(F)c1cccc(CCCC=NNc2ccccn2)c1 769776290 HZIYEXPQNXBLEK-UHFFFAOYSA-N 307.319 4.521 30 20 DJED C=CC[C@@H](N[C@@H](CC)c1cc(C)ccc1OC)c1ccncc1 772457567 XQUNHCADAUIOOA-RBUKOAKNSA-N 310.441 4.757 30 20 DJED C[C@H](NCC1CCCCCCC1)c1ccc(OCC#N)cc1 776157903 RIYYWHXXFPXZEY-INIZCTEOSA-N 300.446 4.600 30 20 DJED C#CCCCCCC(=O)N1CC[C@H](c2ccccc2)[C@@H](CC)C1 779931594 RFWKIMJIOYPNRR-ICSRJNTNSA-N 311.469 4.612 30 20 DJED CC(C)(C#N)CC(=O)OCc1sc2ccccc2c1Cl 782082118 TYVDWUGZRJQNSN-UHFFFAOYSA-N 307.802 4.538 30 20 DJED Cc1cc(C(=O)/C=C\c2ccc(N(C)C(C)C)nc2)c(C)s1 790214211 IDKJWFSHSAWALS-VURMDHGXSA-N 314.454 4.501 30 20 DJED O=C(/C=C/c1c(Cl)oc2ccccc12)c1ccnc(F)c1 794722914 ZAOBUFWDOAFYTH-AATRIKPKSA-N 301.704 4.516 30 20 DJED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1ccc(C(F)F)cc1 794943301 XFIZITQATWUDQN-WEVVVXLNSA-N 317.291 4.737 30 20 DJED O=C1/C(=C\c2ccc(F)cc2)CC/C1=C\c1cccc([N+](=O)[O-])c1 818238775 MLTQPUWHJAOBCT-MBKDJOQRSA-N 323.323 4.564 30 20 DJED CCCCCCCCC(=O)NCc1ccc(N2CCCC2)cc1 917117890 XYRKNOGHMCXWFS-UHFFFAOYSA-N 316.489 4.654 30 20 DJED CCCCCCCCCC(=O)N1CCC[C@@H]1c1ccccn1 919828290 ZKKRAYHKIRWNOO-GOSISDBHSA-N 302.462 4.886 30 20 DJED C=CCC[C@H]1CCCN1C(=O)Nc1cccc(COC(C)C)c1 1123401557 DSRPALXGZYJURD-SFHVURJKSA-N 316.445 4.574 30 20 DJED Cc1nc(C#N)cc(SC(c2ccccc2)c2ccccc2)n1 1161936422 YOMLPEIRMYUJGZ-UHFFFAOYSA-N 317.417 4.538 30 20 DJED Cc1cc(NCc2ccc(C#N)c(F)c2)ccc1C(F)(F)F 1170094249 LPBWYJOBDVMDGO-UHFFFAOYSA-N 308.278 4.637 30 20 DJED N#Cc1ccc(CN2CCC[C@@H]2/C=C/c2ccccc2)c(Cl)c1 1198270442 KLXMKFOJOXKRQN-SINXNMPMSA-N 322.839 4.889 30 20 DJED Cc1cc(OCc2ccc(-c3ccccc3C#N)cc2)ccc1C#N 1307337711 OUYPWNAHKMDDAS-UHFFFAOYSA-N 324.383 4.984 30 20 DJED CC(C)(C)c1csc(NC(=O)N[C@H]2CCCC2(C)C)c1C#N 1310783132 AWUAUIIRTMNIJS-ZDUSSCGKSA-N 319.474 4.617 30 20 DJED C=CCC(CC=C)c1nnc(-c2cccc(OC(F)F)c2)o1 1328445668 HMGMIPZDDLHPDE-UHFFFAOYSA-N 306.312 4.574 30 20 DJED CCC[C@H]1CCC[C@H]1C(=O)N(CC(C)C)c1ccc(C#N)cc1 1349943791 CRSQYQPKJJQYAU-PKOBYXMFSA-N 312.457 4.764 30 20 DJED CC(C)CC1(C(=O)Nc2ccc(Cl)c(C#N)c2)CCCC1 1351348896 NTZAUJXSLJEFGU-UHFFFAOYSA-N 304.821 4.757 30 20 DJED CC[C@@H](NC(=O)CC1(C#N)CCCCC1)c1ccc(Cl)cc1 1354555391 JQLKJSGOBVEYJX-MRXNPFEDSA-N 318.848 4.771 30 20 DJED N#Cc1ccc(Br)c(OCc2cccc(Cl)c2)c1 1459213805 KLMCTXILUMLUHB-UHFFFAOYSA-N 322.589 4.553 30 20 DJED C[C@H](CCC#N)CNc1cccc(-c2ccc3c(c2)CCO3)c1 1474436153 XRWJGICXRFRBEE-OAHLLOKOSA-N 306.409 4.640 30 20 DJED C[C@H](CCC#N)CN[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 1474576280 KNIIHNCKKGEPRO-KYJSFNMBSA-N 304.865 4.896 30 20 DJED C[C@H](OC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21)c1cccc(C#N)c1 1516882207 KTCAFMXSEAZMDH-IAAVTCLWSA-N 311.425 4.769 30 20 DJED CCCCC1CCC(C(=O)Nc2cc(C#N)ccc2NC)CC1 1556345392 FWWQMPZENBOTSV-UHFFFAOYSA-N 313.445 4.535 30 20 DJED N#C[C@H]1CCC[C@H](OC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C1 1584703464 RZJOXBCJBHFDBK-GDAAHCPNSA-N 311.425 4.586 30 20 DJED N#Cc1ccc(F)c(NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)c1 1596936898 SRDWODNXKUYFLQ-IAGOWNOFSA-N 322.383 4.610 30 20 DJED Cc1ccc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(Cl)c1 1615607471 INJNDKQYEOOSLW-AZUAARDMSA-N 324.855 4.920 30 20 DJED N#Cc1sc(NC2CCC(c3ccccc3)CC2)nc1Cl 1639264999 ZBZLCFLRUHNYHT-UHFFFAOYSA-N 317.845 4.806 30 20 DJED CC(C)[C@H](CNc1c(C#N)cccc1C#N)c1ccc(Cl)cc1 1642666900 ZKKSCBAWYOTXNZ-SFHVURJKSA-N 323.827 4.935 30 20 DJED Cc1cc(C#N)cc(N[C@@H](C)Cc2ccc3c(c2)CCCC3)c1 1658340037 HFRUZAHDYHLSTF-INIZCTEOSA-N 304.437 4.789 30 20 DJED CC(C)N(Cc1ccc(F)c(C#N)c1)[C@H](C)c1ccsc1 1659056259 WBIFAGUTMUJYJK-CYBMUJFWSA-N 302.418 4.730 30 20 DJED Cc1cc(C#N)cc(N[C@@H]2CCC[C@@H](c3ncccc3C)C2)c1 1659444011 IIAYMMVNJVYYHU-QZTJIDSGSA-N 305.425 4.708 30 20 DJED CCCCc1ccc(C(C)=NNc2ccccc2C(=O)O)cc1 1776030045 MDJWODISOYNVRP-UHFFFAOYSA-N 310.397 4.564 30 20 DJED CC(=NNc1ccccc1C(=O)O)[C@H](C)c1ccc(Cl)cc1 1776030566 PRFWJLREPMENFM-NSHDSACASA-N 316.788 4.630 30 20 DJED CC(C)c1ccsc1C(=O)Nc1ccc(Cl)c(C#N)c1 57292276 ASBLUYPPENXKTG-UHFFFAOYSA-N 304.802 4.649 30 20 DJED O=C(/C=C/c1csc(-c2cccs2)n1)c1cccc(F)c1 78481733 COVKULRHWGAVMU-VOTSOKGWSA-N 315.394 4.907 30 20 DJED Cc1cc([C@H](C)Nc2ccc(C#N)c(C(F)(F)F)c2)c(C)o1 109240335 FIZVUKFEFQYHAS-JTQLQIEISA-N 308.303 4.960 30 20 DJED Cc1ccc(-c2nnc(S[C@H](C)c3ccc(C#N)cc3)[nH]2)cc1 118173209 YNXOOOVHMQQFEW-CYBMUJFWSA-N 320.421 4.505 30 20 DJED Cc1ccc(-c2nc(C)c([C@@H](C)NCCCCC#N)s2)cc1 118953944 RXXCAMXKTAABJA-CQSZACIVSA-N 313.470 4.771 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)C1=CCCCC1 128063654 UZOVXRHGBDXBCF-CYBMUJFWSA-N 300.427 4.520 30 20 DJED COc1ccc(CNc2ccc(C)cc2C)cc1OCCCC#N 133157357 GCYAEGQNSISVOW-UHFFFAOYSA-N 324.424 4.607 30 20 DJED CC(C)CCN(CCC#N)C(=O)Nc1cccc2ccccc12 176336704 WSCFWZTUHFQHTF-UHFFFAOYSA-N 309.413 4.633 30 20 DJED CCCCOc1ccc(/C=C/C(=O)c2ccc(C)o2)cc1OC 302915808 XNBCAERGEQWKEO-VQHVLOKHSA-N 314.381 4.672 30 20 DJED C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(-c3ccccc3)cc2)C1 303613312 BZNROMXYYDXQNR-IERDGZPVSA-N 318.420 4.556 30 20 DJED CC(C)(C)c1ncc(/C=C/C(=O)c2ccc(F)c(F)c2)s1 303790931 QEYBYTCLWLHQSR-FNORWQNLSA-N 307.365 4.615 30 20 DJED C[C@@H]1CCCC[C@@H]1C/N=C(/O)c1ccc2c(c1)N=C(O)C2(C)C 328860907 VJBNJXIXCFJYAP-TZMCWYRMSA-N 314.429 4.697 30 20 DJED O/C(CCc1nc2ccccc2o1)=N/[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 329395372 UBCNITONOFVWKK-LBKYZSNHSA-N 324.424 4.542 30 20 DJED CC[C@H](/N=C(/O)c1cc(C(C)C)oc1C)c1c(C)noc1C 330606589 NYCLBRDGRLLQQL-AWEZNQCLSA-N 304.390 4.772 30 20 DJED C[C@H](NCC(C)(C)CCC#N)[C@@H]1C[C@H]1c1ccc(Cl)s1 367896150 ADVRTGJEIXJKQK-RWMBFGLXSA-N 310.894 4.813 30 20 DJED COc1cccc(OC)c1SCCC1(C#N)CCCCC1 413007088 RDVLSHOTTXZYLC-UHFFFAOYSA-N 305.443 4.660 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](c1ccc(Cl)cc1)C(C)C 436318056 XABMKEMDQVIEBF-NJAFHUGGSA-N 307.865 4.608 30 20 DJED N#C[C@@H]1CC[C@H](Nc2cc(Cl)ccc2OCC2CCC2)C1 442869562 BWNKIIYHHKMYFS-HIFRSBDPSA-N 304.821 4.623 30 20 DJED N#C[C@@H]1CCC[C@@H](NC[C@H](Cc2ccccc2)c2ccccc2)C1 463237455 VTAWRVOSAHYFTL-BAGYTPMASA-N 318.464 4.685 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCCC1(C)C 476510375 CXZLAHNRLDBLTE-KGLIPLIRSA-N 316.470 4.846 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@H]2NC1(c2ccccc2)CC1 481998996 FJMWDGCSEOAQHH-HXUWFJFHSA-N 302.421 4.605 30 20 DJED Cc1sc(NC(=O)c2cc3cccc(C)c3o2)c(C#N)c1C 488382237 HFVOIRQNZMUVMT-UHFFFAOYSA-N 310.378 4.544 30 20 DJED C=CC[C@H](C(=O)N[C@@H]1CCC[C@H](SCC)C1)c1ccccc1 489675752 RBQNSNAYBMOASO-SQNIBIBYSA-N 317.498 4.527 30 20 DJED C[C@@H](NC(=O)CC(C)(C)C#N)c1ccc(Oc2ccccc2)cc1 493950452 PDFMRDNFYIPCLO-OAHLLOKOSA-N 322.408 4.596 30 20 DJED C[C@@H](CC#N)N(C)Cc1ccc(-c2cccc(Cl)c2Cl)o1 513726188 XBSJBNJQBJINRQ-NSHDSACASA-N 323.223 4.987 30 20 DJED C=C[C@H](CC(=O)N(Cc1ccccc1F)C1CC1)c1ccccc1 534649022 PVIXGJCVEUZDOM-MRXNPFEDSA-N 323.411 4.677 30 20 DJED Cc1cccc([C@H](NCc2ccc(F)c(C#N)c2)C(C)(C)C)c1 539338220 UCUDGKOXXVKZEP-IBGZPJMESA-N 310.416 4.883 30 20 DJED N#CCCCN[C@H](Cc1ccc(F)cc1)c1ccccc1Cl 544384898 GOBPWKWEUOBZFY-GOSISDBHSA-N 316.807 4.656 30 20 DJED CC[C@@H](C)n1c(S[C@@H](C)CCC#N)nnc1-c1ccccc1 551423459 GTVNRLZMYQDUOF-KGLIPLIRSA-N 314.458 4.700 30 20 DJED C[C@H](N[C@H](C)CCSc1ccccc1)c1ccc(C#N)cc1 554849388 YUZCPVFQPNXXPB-CVEARBPZSA-N 310.466 4.780 30 20 DJED C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1OCc1ccccc1 559146790 FHGFFUFBCBZHPE-QRQLOZEOSA-N 320.436 4.608 30 20 DJED Cc1csc([C@@H](C#N)C(=O)c2ccc(C3CCCC3)cc2)n1 573612985 LDBHAEGWSHHHDB-INIZCTEOSA-N 310.422 4.599 30 20 DJED N#CCC1(CNc2cccc(OCc3cccc(F)c3)c2)CC1 594699818 CSYMARFVMTZTAS-UHFFFAOYSA-N 310.372 4.510 30 20 DJED CCCOc1ccc(Cl)cc1N[C@H](C#N)Cc1ccccc1 603955389 XRZCCIHRMFLDGO-INIZCTEOSA-N 314.816 4.676 30 20 DJED C[C@@H](CC(=O)Nc1cc(C#N)cn1C(C)(C)C)CC(C)(C)C 609358574 IYTPUTKSNLGJLI-ZDUSSCGKSA-N 303.450 4.516 30 20 DJED Cc1cc2ccccc2nc1NCc1ccc(C#N)c(Cl)c1 619746939 UBOSPFGCBVOVTI-UHFFFAOYSA-N 307.784 4.680 30 20 DJED C=CCN(Cc1ccccc1)C(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 642211566 SIOKERBBQNDWRM-QFBILLFUSA-N 323.436 4.550 30 20 DJED C=C(C)CN(CC)C(=O)c1cnc(-c2cccc(Cl)c2)s1 649568739 NIWUIBMUQTTXCF-UHFFFAOYSA-N 320.845 4.502 30 20 DJED O=C(/C=C/c1coc(-c2ccccc2)n1)c1cccc(Cl)c1 731835878 ULEXCEPFZNCNMT-MDZDMXLPSA-N 309.752 4.891 30 20 DJED CCC(=NNc1oc(C(C)C)nc1C#N)c1ccc(Cl)s1 733203322 DFHPHRMNIZXYGG-UHFFFAOYSA-N 322.821 4.611 30 20 DJED C#Cc1cccc(N(C(=O)[C@H](C)c2cccc(C)c2)C(C)C)c1 739551493 JLXVJTJDWDCLKC-QGZVFWFLSA-N 305.421 4.521 30 20 DJED CCCCCC[C@H](C)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 742068935 QYTUHFHWZVGECY-XJKSGUPXSA-N 306.837 4.627 30 20 DJED C=CCOCCCC(=O)Oc1ccc([C@@H](C)c2ccccc2)cc1 744109443 UTGSEIRMSJUWRI-KRWDZBQOSA-N 324.420 4.727 30 20 DJED Cc1cnc([C@@H](C)C/N=C/c2c(O)ccc3ccccc23)s1 753993476 GTBAXRSRBVJNDR-MKFNJMOCSA-N 310.422 4.533 30 20 DJED C#CCCCCNC(=O)Nc1ccc(C(C)C)cc1C(C)C 758532333 LJQAMTUMZOSIAB-UHFFFAOYSA-N 300.446 4.858 30 20 DJED Clc1cscc1C=NNc1cccc(Br)c1 771876585 AULOEHYLUZIVDN-UHFFFAOYSA-N 315.623 4.610 30 20 DJED C#CC[C@H](N[C@H](C)c1ccc(N(C)CC)cc1)c1ccccc1 773113803 DZNNTUCPKQJORG-UTKZUKDTSA-N 306.453 4.558 30 20 DJED CC[C@@H](Nc1ccc(OC)c(Cl)c1)c1ccc(C#N)cc1 774274460 UGENPESCWBSANG-MRXNPFEDSA-N 300.789 4.783 30 20 DJED CC1CCN(c2ccc(N[C@@H](C)c3cccc(C#N)c3)cc2)CC1 777612561 DAHVIAFAOAGUFT-KRWDZBQOSA-N 319.452 4.968 30 20 DJED C=CCC[C@@H](C(=O)Nc1cnc(Cl)cc1C)c1ccccc1 777743135 YRKSRILMHXLBQF-OAHLLOKOSA-N 314.816 4.732 30 20 DJED CC[C@H](C)[C@@H](C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 779836334 CUCMGUAMGYMNAV-RZQQEMMASA-N 320.436 4.963 30 20 DJED C=C[C@H]1CCCCN1C(=O)N[C@H](C)c1csc2ccccc12 787192899 FMFMKNCNFFNKGU-KGLIPLIRSA-N 314.454 4.712 30 20 DJED Cc1ccc2c(C(=O)OCCCC(C)(C)C#N)csc2c1 796356702 QKAUVIAYWWGMPP-UHFFFAOYSA-N 301.411 4.697 30 20 DJED C[C@@H]1/C(=C\c2ccc(-c3cnn(C)c3)s2)C(=O)c2ccccc21 809159177 JZSMKLIQYYZWNQ-UWONZBIMSA-N 320.417 4.532 30 20 DJED N#Cc1ccc(CON=Cc2cccc(Cl)c2Cl)c(F)c1 809833656 LVQYMFNLIDZYTN-UHFFFAOYSA-N 323.154 4.555 30 20 DJED N#C[C@H](C(=O)CCCC1CC1)c1nc(-c2ccccc2)cs1 813060846 LXSVCRWWRZJCLJ-OAHLLOKOSA-N 310.422 4.567 30 20 DJED CC(C)(CC#N)CN[C@H](CCc1ccccc1)c1ccccc1O 840788331 ZFQWACVTBDIDNX-LJQANCHMSA-N 322.452 4.596 30 20 DJED CC(=NNc1cncc(Cl)n1)c1ccc(-c2ccccc2)cc1 914560293 WPLHAEXRPTXHJU-UHFFFAOYSA-N 322.799 4.633 30 20 DJED CCCCOc1ccc(C(C)=NNc2ccccc2)cc1OC 915933466 XLPNQEFXBZZHTP-UHFFFAOYSA-N 312.413 4.710 30 20 DJED O=C(/C=C/c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl 917517008 IEEWHHVQZNWQFD-ORCRQEGFSA-N 319.187 4.824 30 20 DJED CC/C=C(/C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918608048 ARGDMDVUROEFKL-ZUYGLVRRSA-N 304.393 4.637 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc3c(c2)oc2ccccc23)C1 1275465319 USTPRGKZGIMLOB-HIFRSBDPSA-N 319.360 4.825 30 20 DJED N#Cc1cccc(Br)c1NC[C@@H]1CCC[C@H]1C1CC1 1307141944 PCVUUALBQOLANW-KBPBESRZSA-N 319.246 4.559 30 20 DJED C[C@H](Sc1ccc(C#N)cc1)C(=O)c1cccc(Cl)c1 1307292835 MFSRHOFOOXJVPS-NSHDSACASA-N 301.798 4.575 30 20 DJED Cc1cc(C#N)ccc1CN1CC2(CCCC2)c2ccccc21 1307553119 ZLUQWQVZUSCSAG-UHFFFAOYSA-N 302.421 4.699 30 20 DJED CC[C@@H](CN(CC)Cc1ccc(C#N)c(OC)c1)c1ccccc1 1308705633 VWDXSNOZJIYCTF-SFHVURJKSA-N 322.452 4.583 30 20 DJED N#CCOc1ccc(NC(=O)Nc2ccc(C3CCC3)cc2)cc1 1322175950 WNXAJIVUFRWUGI-UHFFFAOYSA-N 321.380 4.500 30 20 DJED C[C@@H](Nc1snc(Cl)c1C#N)c1ccc(Cl)c(F)c1 1323206911 PNVWECGULLLKEG-ZCFIWIBFSA-N 316.188 4.634 30 20 DJED Cc1ccc([C@@H]2CCCCN2C(=O)CC2(C#N)CCCCC2)cc1 1435223192 WCBARXTYQDLCDA-IBGZPJMESA-N 324.468 4.913 30 20 DJED N#Cc1ccc(C(=O)N2CCC[C@H]2CCC2CCCCC2)cc1 1435544546 DPXAAPQJXZYXSG-IBGZPJMESA-N 310.441 4.523 30 20 DJED N#Cc1cc(Cl)ccc1SCc1cccc(C#N)c1F 1458965768 ABKJTDXBROSWPI-UHFFFAOYSA-N 302.761 4.515 30 20 DJED CC[C@H](C)N(CCc1ccc(C#N)cc1)CCc1ccccc1F 1459385495 GPYNSHKUPSDTOJ-KRWDZBQOSA-N 324.443 4.583 30 20 DJED CCC1(CC)CCC(NC(=O)[C@@H](CC#N)c2ccccc2)CC1 1459734440 INLOBGBZSWOZMV-SFHVURJKSA-N 312.457 4.549 30 20 DJED COc1cc(C#N)ccc1CN(CC(C)(C)C)c1ccccc1 1459984320 BAMDKUBRLVWEHO-UHFFFAOYSA-N 308.425 4.620 30 20 DJED C[C@H](CC(=O)Nc1ccc(Cl)cc1C#N)C1CCCCC1 1461545607 AVIZMWTUXHEJBE-GFCCVEGCSA-N 304.821 4.757 30 20 DJED CC(C)[C@@H](NC(=O)c1ccc(C#N)o1)c1ccc(C(C)(C)C)cc1 1524359155 QWDIISIQNYAWTR-GOSISDBHSA-N 324.424 4.576 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2ccc(C3CCCC3)cc2)c1 1528802360 NXPCQBKUCZIYNV-UHFFFAOYSA-N 304.393 4.777 30 20 DJED Cc1ccc(C#N)c(Oc2ccc3oc4ccccc4c3c2)n1 1559053142 ABDVYOQHGCXFJW-UHFFFAOYSA-N 300.317 4.953 30 20 DJED Cc1c(CN2CCC[C@H](C#N)C2)sc2c(Cl)cccc12 1561004458 ZYQNNSUXJALZBX-GFCCVEGCSA-N 304.846 4.599 30 20 DJED CCN(C(=O)O[C@@H](C)CC(C)C)[C@@H](C)c1ccc(C#N)cc1 1561131028 FEBAASJAIAADNX-GJZGRUSLSA-N 302.418 4.512 30 20 DJED COc1ccc(CSc2ccc(C#N)cc2Cl)cc1F 1643787798 YVKSLZPBYNXDQC-UHFFFAOYSA-N 307.777 4.652 30 20 DJED Cc1cc(SCc2ncc(-c3ccccc3)o2)ccc1C#N 1644025538 LKDSEEJQTIWRLN-UHFFFAOYSA-N 306.390 4.814 30 20 DJED CC(C)C[C@H]1CCCN(c2c(Br)cccc2C#N)C1 1650862964 UBCZOFCUUKCITA-CYBMUJFWSA-N 321.262 4.583 30 20 DJED N#Cc1c(F)cccc1N[C@@H]1CCCc2ccc(Cl)cc21 1652095365 IJYMITMPMCHYMK-MRXNPFEDSA-N 300.764 4.840 30 20 DJED CC(C)CCN(CCC#N)Cc1cccc(Oc2ccccn2)c1 1658956131 RKZIJKQFUTZGOI-UHFFFAOYSA-N 323.440 4.636 30 20 DJED CC(C)Cc1ccc(C(=O)/C=C\c2cc(C(=O)O)cs2)s1 1776339882 LMDCYHCRWFVSIR-HYXAFXHYSA-N 320.435 4.602 30 20 DJED Cc1cc(C)cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 66801299 FJOJWNPKZYRRBX-OAHLLOKOSA-N 324.449 4.950 30 20 DJED Cc1ccc2oc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)cc2c1 80450106 ZSJAGILTBIGIPP-ZDUSSCGKSA-N 324.405 4.811 30 20 DJED C=C(Cl)COc1ccc(C(=O)/C=C\c2ccc(C#N)cc2)cc1 98008855 CCYPTBPLPAMEFK-WDZFZDKYSA-N 323.779 4.586 30 20 DJED C=CCC[C@H](NC(=O)N1CCC[C@@H]1c1ccc[nH]1)c1ccccc1 131012141 CSKSJUCXIVEXMJ-PKOBYXMFSA-N 323.440 4.569 30 20 DJED N#CCCCCN[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 153568117 QLOWCMGRKIDIPX-GDBMZVCRSA-N 310.363 4.625 30 20 DJED N#Cc1cc(F)ccc1CN[C@@H](c1ccc(Cl)cc1)C1CC1 171375938 AEVPXJOKCNMPAM-GOSISDBHSA-N 314.791 4.592 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)c2cc3cc(F)ccc3o2)cc1 172048593 JUAWALNNJOLZTB-UHFFFAOYSA-N 322.339 4.625 30 20 DJED CCC[C@H](NCc1ccc(C#N)cc1F)c1ccc(F)cc1F 178795409 HLKUCIUCVOYWPY-SFHVURJKSA-N 318.342 4.607 30 20 DJED Cc1ccc([C@@H](C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 193568968 OXCLMYTYYCIXPR-OAHLLOKOSA-N 321.424 4.679 30 20 DJED Cc1cc(SC(C)(C)C)ccc1NC(=O)CC(C)(C)C#N 278648533 CYOCIBYVCSMJBI-UHFFFAOYSA-N 304.459 4.764 30 20 DJED CC[C@H](C)CSc1cc(Br)c(C#N)cc1F 309233381 HYZFHBYLZWVNDA-QMMMGPOBSA-N 302.212 4.598 30 20 DJED CC(C)[C@H](NC1CC(C#N)(c2ccccc2)C1)c1ccc(F)cc1 325688556 IQYCWSFRPVIFSY-KBWCOIMZSA-N 322.427 4.736 30 20 DJED Cc1cc(Cl)c(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1Cl 410606910 KTTKADCZIAJBJH-INIZCTEOSA-N 323.223 4.714 30 20 DJED CCc1ccc([C@@H](C)C(=O)Nc2ccc(C#N)cc2Cl)cc1 430372158 ZAZUMMOQTQTEKT-GFCCVEGCSA-N 312.800 4.516 30 20 DJED Cc1cc(Sc2ccccc2)ccc1NC(=O)[C@]1(C#N)C[C@H]1C 460056211 WUXSYBOKPIRLEG-KUHUBIRLSA-N 322.433 4.635 30 20 DJED Cc1cccc(Oc2ccc(Cl)cc2NC(=O)[C@@H](C)C#N)c1 468222402 YIUDSTMVOZYUOR-LBPRGKRZSA-N 314.772 4.539 30 20 DJED N#CC[C@@H](CC(=O)NCCCC1CCCCC1)c1ccccc1 474778612 BZSZBHNYZGNSIU-IBGZPJMESA-N 312.457 4.551 30 20 DJED N#Cc1ccc(CNc2ccc3nc(C4CC4)sc3c2)cc1F 479474549 JFNFFAHDGOTOEA-UHFFFAOYSA-N 323.396 4.797 30 20 DJED CCOc1cccc(CN[C@H]2CCCCc3cc(C#N)ccc32)c1 481925023 URNKRDVNSSGADB-NRFANRHFSA-N 320.436 4.514 30 20 DJED C[C@@H]1c2ccsc2CCN1Cc1ccccc1C(C)(C)C#N 487422803 UJMRIWJTKHYXDG-CQSZACIVSA-N 310.466 4.669 30 20 DJED C=CCC[C@@H](CCC)N[C@H](C)c1nc(C(F)(F)F)cs1 494396576 XEKYVOBXBOEPJL-GHMZBOCLSA-N 306.397 4.947 30 20 DJED CC(C)(C)Oc1cc(F)ccc1NCc1ccc(F)c(C#N)c1 498419362 JJGMAISXHZGOMC-UHFFFAOYSA-N 316.351 4.626 30 20 DJED N#Cc1cccc(CSCCOc2ccccc2Cl)c1 507195712 VKUXOEIAIGVODX-UHFFFAOYSA-N 303.814 4.524 30 20 DJED C=CCOc1cccc(NC(=O)N2CCCC[C@H]2[C@H](C)CC)c1 523420784 AJRSESUWDNOYEU-QAPCUYQASA-N 316.445 4.684 30 20 DJED C=CCCN[C@@H](C)c1ccc(OCc2ccccc2)c(OC)c1 537051514 XXOFFXDCQIWVJC-INIZCTEOSA-N 311.425 4.501 30 20 DJED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)CCC2 561139555 DTMYKDSELTVUAI-NYHFZMIOSA-N 316.448 4.775 30 20 DJED C=CCCCCCN(C)C(=O)Nc1nc2ccsc2s1 570369765 ZDXSLBDFZOWEBU-UHFFFAOYSA-N 309.460 4.568 30 20 DJED N#C[C@@H](c1ccccc1)N1CCC[C@@H]1c1nc2ccccc2s1 595290880 FVLIDLKSJOZBAD-SJORKVTESA-N 319.433 4.698 30 20 DJED C[C@@H](CCC#N)CNc1cccc(CSc2ccccn2)c1 602490461 KGUNHHOQRFCKIZ-HNNXBMFYSA-N 311.454 4.726 30 20 DJED C=CC[C@@H](C)NC(=O)N1CCC[C@H]1c1cccc2ccccc12 604900783 JTBKEXGFZSKSEX-BEFAXECRSA-N 308.425 4.651 30 20 DJED C=CCC1(C(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)CCC1 682870346 NMIQJFHVFJCJFI-UHFFFAOYSA-N 310.397 4.643 30 20 DJED CC1(c2ccccc2)CC(=NNc2cccc3cnccc23)C1 729639083 ULYGASVEIMBLDL-UHFFFAOYSA-N 301.393 4.754 30 20 DJED Cc1cc(C)cc(C(=O)/C=C\c2c(C)nc3sc(C)cn23)c1 730438054 XXFWSDXEGRBAGG-WAYWQWQTSA-N 310.422 4.526 30 20 DJED C#Cc1cccc(NC(=S)Nc2ccc(OC(C)C)c(C)c2)c1 741498803 AIWDUIITNDJKFQ-UHFFFAOYSA-N 324.449 4.572 30 20 DJED O=C(/C=C/C=C/c1ccccc1[N+](=O)[O-])c1c[nH]c2ccccc12 750907824 ZUVVNGLRTYTPRF-CAOUKYIASA-N 318.332 4.528 30 20 DJED CC(=NNC[C@H](C)C#N)c1ccc(-c2ccccc2Cl)s1 771098894 ODFOJFGYTCCXOC-LLVKDONJSA-N 317.845 4.542 30 20 DJED C#CCCCCN[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C 773038748 BPFSKMAGSAFTRM-HNNXBMFYSA-N 312.482 4.881 30 20 DJED CCOc1c(Cl)cc(N[C@H]2CCC[C@H](C#N)C2)cc1Cl 774348057 JNXXFPDFOVWOFG-QWRGUYRKSA-N 313.228 4.886 30 20 DJED Cc1ccc([C@H](NCc2ccc(OCC#N)cc2)C2CCCC2)o1 775625758 GWHSEQUZRDYRHX-HXUWFJFHSA-N 324.424 4.512 30 20 DJED CC(C)=C(C)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782487328 ZEWNYLWKPOWKQS-MRXNPFEDSA-N 318.420 4.759 30 20 DJED CC(=NNc1nc(COc2ccccc2)cs1)c1ccccc1 794691042 LZAKJCZPMCUZDC-UHFFFAOYSA-N 323.421 4.558 30 20 DJED CCC(CC)=NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1 794980446 BPWSTWWPMBUBPV-UHFFFAOYSA-N 322.334 4.750 30 20 DJED Cc1ccc(N(C(=O)c2ccc(C(C)(C)C#N)cc2)C(C)C)cc1 796630759 WPRCXLAUUDMNCU-UHFFFAOYSA-N 320.436 4.851 30 20 DJED CC(=NNc1ncc(Cl)cc1Cl)c1c(C)cc(C)cc1O 799869721 IBWSBYFMHDUVKH-UHFFFAOYSA-N 324.211 4.547 30 20 DJED CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1 808731071 QAQHFLPBCMIJET-SFHVURJKSA-N 314.335 4.510 30 20 DJED O=C(c1sccc1C1CC1)N(O)Cc1cccc2ccccc12 901368319 VOILFRSKOOKUSO-UHFFFAOYSA-N 323.417 4.810 30 20 DJED CC(CC(C)(C)c1ccccc1)=NNc1ccc(C(=O)O)cc1 915933372 IUBNFUKNNBPNPX-UHFFFAOYSA-N 310.397 4.541 30 20 DJED CC(=NN=C(c1ccccc1)c1ccccc1)c1ccc(N)cc1 916541424 VCDJTFXVHZVTJS-UHFFFAOYSA-N 313.404 4.530 30 20 DJED O=C1C(=Cc2ccccc2-c2ccccc2)C(=O)c2ccccc21 917517754 YSLYDLDVAYODSR-UHFFFAOYSA-N 310.352 4.816 30 20 DJED CCCOc1ccc(N=Cc2cccc(OC)c2O)cc1Cl 917557731 TXYZDPJEWSIJGI-UHFFFAOYSA-N 319.788 4.594 30 20 DJED Cc1nc(Sc2ccc3c4c(cccc24)CC3)ccc1C#N 1163968560 QFEPDYRWQMNUNQ-UHFFFAOYSA-N 302.402 4.665 30 20 DJED N#Cc1cccc(C#N)c1NCCc1ccc(-c2ccccc2)cc1 1185701270 GKRLHJMLPVSUJV-UHFFFAOYSA-N 323.399 4.752 30 20 DJED CC[C@@H]1CC[C@H](C)N1C(=O)Nc1scc(C(C)(C)C)c1C#N 1218513983 LGTDONXYXDFPRF-NWDGAFQWSA-N 319.474 4.712 30 20 DJED N#Cc1ccccc1NC(=O)c1ccc(-c2cccs2)s1 1254493336 UWLRNOGTMQEYIJ-UHFFFAOYSA-N 310.403 4.601 30 20 DJED C[C@@H](C#N)CN(C)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 1307446568 SIWGHMLSPVOJTD-SCLBCKFNSA-N 316.807 4.660 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1ccc(-c2ccccc2)s1 1339817831 GOJMUNZDAHJKJM-UHFFFAOYSA-N 318.401 4.848 30 20 DJED CC[C@H](C#N)[C@H](OC(=O)[C@H](C)c1ccsc1)c1cccs1 1345103344 KDIIHUQXYUUPGF-JMSVASOKSA-N 319.451 4.747 30 20 DJED C=C[C@@H](Cc1nnc(-c2ccccc2Cl)o1)c1ccccc1 1345635388 ASVXNCCQSWIBJY-ZDUSSCGKSA-N 310.784 4.902 30 20 DJED CCC(CC)NC(=O)c1ccc(Sc2ccccc2C#N)cc1 1352940099 HHKJUUIWCMXCRU-UHFFFAOYSA-N 324.449 4.628 30 20 DJED CCC(CC)[C@H](C)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 1354303578 AFLMNJDMDLHERH-INIZCTEOSA-N 314.473 4.615 30 20 DJED N#Cc1cccc(C#N)c1NC[C@@H]1CCCC[C@@H]1c1ccccc1 1458381447 JVECAUPWRJZBFH-VQTJNVASSA-N 315.420 4.816 30 20 DJED CCCC[C@H](C)C(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1525198923 ZAYXGHSILQCEKQ-AWEZNQCLSA-N 323.440 4.731 30 20 DJED C=C[C@H](C(=O)Nc1nn(C2CCCCC2)cc1C)c1ccccc1 1548684134 MRLJBBAVLXBGSJ-SFHVURJKSA-N 323.440 4.605 30 20 DJED Cc1oc(-c2ccccc2)cc1C(=O)N(CCC#N)CCC(C)C 1565638623 FXYAFDSTFSWCDM-UHFFFAOYSA-N 324.424 4.657 30 20 DJED CC(C)(C)c1ccc(C#N)c(N[C@H]2CCCc3ccc(F)cc32)n1 1612344785 AZBMMBBTKKCFBG-KRWDZBQOSA-N 323.415 4.879 30 20 DJED Cc1cc(SCc2coc(-c3ccccc3)n2)ccc1C#N 1641222901 MMHXCUQASKWTER-UHFFFAOYSA-N 306.390 4.814 30 20 DJED CC(C)(NCc1ccc(C#N)cc1OC(F)F)C1CCCCC1 1653432081 OLUAGHZPHJOLOV-UHFFFAOYSA-N 322.399 4.608 30 20 DJED C[C@@H]1C[C@H](CCN[C@H](C)CC2(C#N)CCOCC2)CC(C)(C)C1 1659045008 VYXAUSQUMKTBHA-KURKYZTESA-N 320.521 4.527 30 20 DJED COc1cc(/C=C/C(=O)c2oc3ccccc3c2C)cc(OC)c1 26763435 IXXZBDQXEOEXIC-CMDGGOBGSA-N 322.360 4.655 30 20 DJED C=CCN(CCc1ccccc1)C(=O)Nc1ccccc1Cl 65984862 FSTLDZVZFYPXGV-UHFFFAOYSA-N 314.816 4.603 30 20 DJED C=C(Br)CSC1=Nc2ccccc2CS1 72013866 QOTIESLBYOTHBQ-UHFFFAOYSA-N 300.246 4.563 30 20 DJED CCc1ccc([C@H](NCc2cccc(OCC#N)c2)C(C)C)cc1 124089420 MMHATQYCTSASSW-OAQYLSRUSA-N 322.452 4.638 30 20 DJED C[C@H]1C[C@@H](N[C@H](C)c2ccc(C#N)cc2)c2ccsc2S1 130431501 JPJGHXMOXGAION-HWWQOWPSSA-N 314.479 4.896 30 20 DJED CC(C)(C)c1ccc(-c2ccc(C(=O)NCCCCC#N)o2)cc1 173068770 GGGPDINIZAWEAW-UHFFFAOYSA-N 324.424 4.668 30 20 DJED C=C[C@@H](CC(=O)N[C@H]1CCSc2ccccc21)c1ccccc1 179346485 LNYLSGLESVKMCR-YJBOKZPZSA-N 323.461 4.700 30 20 DJED C=CCC[C@H](Nc1ccc(CN(C(C)=O)C(C)C)cc1)C1CC1 179918813 GAHICORMXNICKE-FQEVSTJZSA-N 314.473 4.600 30 20 DJED Cc1cc(C)cc([C@@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)c1 180536879 JJWPSEMHLUMAIC-DLBZAZTESA-N 308.425 4.618 30 20 DJED CC(C)(CCC#N)CNc1ccc(Cl)cc1OC(F)F 184098757 KIPVRHGZDYABED-UHFFFAOYSA-N 302.752 4.683 30 20 DJED Cc1ccc(C)c2c(C)c(C(=O)N(CC#N)c3ccccc3)oc12 195114876 OOXFNSDMIPQZSU-UHFFFAOYSA-N 318.376 4.528 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@H](Cc2ccccc2)c2cccs2)C1 248851894 OVWNQGPKHRLSBK-FGTMMUONSA-N 310.466 4.704 30 20 DJED O=C(/C=C\c1cncs1)c1ccc(Cl)c(Cl)c1Cl 255425926 WXBAMFRKBTUWSK-RJRFIUFISA-N 318.612 4.999 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 281338079 KNVGMEJQVCDNTM-KBPBESRZSA-N 317.458 4.557 30 20 DJED N#CC1(CCCS[C@H]2CCc3ccc(F)cc32)CCOCC1 281840606 LNLIILAWBJETFU-KRWDZBQOSA-N 319.445 4.647 30 20 DJED CSc1ccccc1[C@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 282114653 AKGRBMLNPVNCGP-OLZOCXBDSA-N 314.429 4.831 30 20 DJED CC[C@@](C)(C#N)C(=O)Nc1ccc(SC(C)(C)C)cc1C 288365092 JAJJZZPFSYSPFD-KRWDZBQOSA-N 304.459 4.764 30 20 DJED C[C@@H](Nc1cc2ccccc2c(Cl)n1)c1ccc(C#N)cc1 301083012 LIUHVXNFYUUOEU-GFCCVEGCSA-N 307.784 4.933 30 20 DJED CC[C@@H](C)[C@H](C)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 303182448 KNFJVTWKQVVKRA-CABCVRRESA-N 322.408 4.515 30 20 DJED C[C@@H](Nc1ccc(F)c(C(F)(F)F)c1)c1cccc(C#N)c1 315342532 XAVSTWLDFXDYCS-SNVBAGLBSA-N 308.278 4.889 30 20 DJED C[C@@H](Nc1ccc(OCC#N)cc1)c1ccc(C(F)(F)F)cc1 320392771 XUQNAKPGGQZPDB-GFCCVEGCSA-N 320.314 4.781 30 20 DJED CC(C)(C#N)c1ccccc1COc1ccc(C#N)c(Cl)c1 438886422 MSYFKNFICSFSLZ-UHFFFAOYSA-N 310.784 4.592 30 20 DJED CCN(C(=O)[C@H]1CC[C@H](CC)CC1)[C@H](C)c1ccc(C#N)cc1 439097412 FGWVRVNPDQKGMG-GPMSIDNRSA-N 312.457 4.684 30 20 DJED N#C[C@@H]1CCC[C@H](NCC2(Sc3ccccc3)CCCC2)C1 463290530 KGGVUOJSPNEKDU-SJORKVTESA-N 314.498 4.763 30 20 DJED Cc1ccc([C@@H](Nc2cccc(F)c2C#N)c2ccccn2)cc1 480583476 QRSDSRGPNFZEBH-HXUWFJFHSA-N 317.367 4.602 30 20 DJED COC[C@@H](c1ccc(Cl)cc1)N(C)CCCCC(C)(C)C#N 490077063 CSFNMWOVHSXUIG-KRWDZBQOSA-N 322.880 4.679 30 20 DJED C=CCN(C(=O)c1cc(C(F)(F)F)ccc1F)c1ccccc1 531600408 SQEJYAGUGZJSJL-UHFFFAOYSA-N 323.289 4.677 30 20 DJED N#CCCSc1ccccc1NC(=O)[C@@H]1CC12CCCCC2 532433221 DSYHASDZXJXTTO-AWEZNQCLSA-N 314.454 4.601 30 20 DJED C=CCCC1(c2nc([C@H](OCC)c3ccc(C)cc3)no2)CC1 554812999 PMOOPZWYQHBMEL-MRXNPFEDSA-N 312.413 4.502 30 20 DJED CCOc1ccccc1[C@H](CC)N[C@H]1CCc2ccc(C#N)cc21 574489889 YXGFMPKUWJBKCO-PMACEKPBSA-N 320.436 4.685 30 20 DJED CCc1cccc2c1OCC[C@H]2N[C@@H](CC)c1ccc(C#N)cc1 584569788 UHZBVOUTISORQQ-VQTJNVASSA-N 320.436 4.685 30 20 DJED N#C[C@H]1CCC[C@H](Nc2ccc3nc(C(F)F)sc3c2)C1 589189300 GBCYWWHIFDNFIZ-UWVGGRQHSA-N 307.369 4.728 30 20 DJED N#CC1(CCCSC[C@@H]2CCCCC2(F)F)CCOCC1 596397840 XYRYHOWWBHBONS-AWEZNQCLSA-N 317.445 4.646 30 20 DJED Cc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1C 609378153 XWIJWCFQVJIAQS-CYBMUJFWSA-N 324.449 4.808 30 20 DJED C[C@H](NCc1cccc(C#N)c1F)c1ccc(Cl)c(Cl)c1 611375720 NRRYGBSVNYKJMF-JTQLQIEISA-N 323.198 4.855 30 20 DJED CCCCCCCC(=O)NCCCc1c[nH]c2ccccc12 730783852 PCVOVADWWWBFAF-UHFFFAOYSA-N 300.446 4.577 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)/C=C\c1ccccc1 730990562 ZWHFZXLLQVWZLW-QYMJWVLRSA-N 322.433 4.590 30 20 DJED N#CCOc1ccc(CN2CCCCC[C@@H]2c2ccccc2)cc1 731211341 HDUVFECQVCJJIM-OAQYLSRUSA-N 320.436 4.706 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(C)s2)c(OC(F)F)c1 734095175 LXOBUIMQUSUKJI-FNORWQNLSA-N 324.348 4.563 30 20 DJED C=CC[C@@H](C)NC(=S)Nc1ccc(Oc2ccccc2)cc1 734986418 LQLZPRQASQUATE-CQSZACIVSA-N 312.438 4.730 30 20 DJED FC(F)(F)c1cccc(NN=Cc2nccc3ccccc23)c1 740760158 MHEUCXRIUFZARN-UHFFFAOYSA-N 315.298 4.700 30 20 DJED Cc1c(C(=O)/C=C/c2cnc3cccc(C)n23)oc2ccccc12 748999143 OPYOMQHCWRXIPO-ZHACJKMWSA-N 316.360 4.593 30 20 DJED CCCCC[C@@H](C)CC(=O)N[C@@H](CCC#N)c1ccccc1 749044795 DRSFTNQLIRBXTE-AEFFLSMTSA-N 300.446 4.754 30 20 DJED O=C1/C(=C/c2coc(-c3ccccc3)n2)CCCc2ccccc21 749886987 SDMONEKZDVLHDW-GHRIWEEISA-N 315.372 4.944 30 20 DJED N#Cc1cc2ccccc2nc1N1CCC[C@H]1c1ccsc1 750016054 HNTZUYBGJHWHGA-KRWDZBQOSA-N 305.406 4.509 30 20 DJED COc1ccc(/C=C/C(=O)c2cc(F)ccc2F)cc1Cl 757474913 NNRHFNTXFSYMHZ-QHHAFSJGSA-N 308.711 4.523 30 20 DJED O=C1/C(=C/c2ccc(C(F)(F)F)s2)Cc2cc(F)ccc21 761475064 BUKVFPCVUAHTEZ-VQHVLOKHSA-N 312.287 4.728 30 20 DJED N#Cc1cc(F)ccc1CSCCC(Cl)(Cl)Cl 767870496 BCHFYFDIBLCMOY-UHFFFAOYSA-N 312.624 4.691 30 20 DJED C=CCSc1ccccc1C(=O)Nc1cnc(Cl)cc1C 776874717 NFSUAKTUQTYTIV-UHFFFAOYSA-N 318.829 4.574 30 20 DJED CCN(C)c1ccc(C(=O)/C=C/c2ccc3cnccc3c2)cc1 782341966 MXGRJJVSZXIPNO-VZUCSPMQSA-N 316.404 4.587 30 20 DJED CC(C)(C#N)CCCOC(=O)c1cc(F)c(Cl)cc1Cl 782535038 ZFTMZVWIJWPGPW-UHFFFAOYSA-N 318.175 4.619 30 20 DJED O=C(/C=C\c1ccc(C(F)F)cc1)c1ccc(-n2cccn2)cc1 794938680 QQNZDZSPUOOMIT-WCIBSUBMSA-N 324.330 4.706 30 20 DJED C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1nc2ccccc2s1 810218093 FIVZIRJWABKNIO-MLGOLLRUSA-N 319.433 4.506 30 20 DJED C[C@@H](N[C@@H]1CCc2ccc(Cl)cc21)c1ccc(C#N)c(F)c1 858581907 KEVULXDYXDZARH-ADLMAVQZSA-N 314.791 4.689 30 20 DJED CC(=NNc1ncccc1C(F)(F)F)c1cc(C)ccc1C 915050413 OPBAGLNHYCMBRJ-UHFFFAOYSA-N 307.319 4.553 30 20 DJED COc1cccc(C(=O)/C=C/c2ccc(N3CCCCC3)cc2)c1 916136913 FIMCTBFKFWALQO-JLHYYAGUSA-N 321.420 4.582 30 20 DJED C=CCCO[C@H](C)C(=O)Nc1ccc(-c2ccccc2)cc1C 921147097 FJTHQWHBCWHIMX-MRXNPFEDSA-N 309.409 4.582 30 20 DJED CC(C)(C#N)CCCCN[C@H]1CC2(CCC2)Oc2ccccc21 932215070 TTYJXEPSSNHZQP-KRWDZBQOSA-N 312.457 4.743 30 20 DJED Cc1cc(Nc2ccc(N3CCCC[C@H]3C)cc2C)c(C#N)cn1 1162818951 MRKYNYKJYDFSPL-MRXNPFEDSA-N 320.440 4.693 30 20 DJED CC1(C)CCc2ccccc2[C@H](NC(=O)C2(C#N)CCCCC2)C1 1270109472 TYSQQTLXHSSQIE-GOSISDBHSA-N 324.468 4.680 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2cc3cc(C)ccc3s2)c1 1275796876 KWEURZBFOVZUGT-UHFFFAOYSA-N 306.390 4.642 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCC(C2CCCC2)CC1 1307507798 ZQPYJZPGFGJWCB-UHFFFAOYSA-N 302.849 4.614 30 20 DJED Cc1sc(NC(=O)CC(C2CCC2)C2CCC2)c(C#N)c1C 1348418546 LOHHYTBOPSVLDL-UHFFFAOYSA-N 316.470 4.782 30 20 DJED N#CC1(CC(=O)N(Cc2ccccc2)CC2CCC2)CCCCC1 1355446978 AKCBCAGPQAOVAB-UHFFFAOYSA-N 324.468 4.679 30 20 DJED CCC[C@H](C)N(C)C(=O)Nc1scc(C(C)(C)C)c1C#N 1466647338 SGASXAKMCMBKTD-NSHDSACASA-N 307.463 4.570 30 20 DJED Cc1cccc(C)c1CN(Cc1ccc(C#N)cc1)CC(C)C 1473130331 PHIFUOXFSNDVIW-UHFFFAOYSA-N 306.453 4.833 30 20 DJED CC1(C)CCCN(CCCc2ccc(C(F)(F)F)cc2)[C@@H]1C#N 1473449662 STDKAYAPRWUYMS-MRXNPFEDSA-N 324.390 4.652 30 20 DJED Cc1cc(C#N)ccc1CN(C)[C@@H]1CCC[C@H]1c1ccccc1 1473539536 QVIINCJDQSSIKZ-LEWJYISDSA-N 304.437 4.635 30 20 DJED C[C@@H](C#N)CNCc1cc(F)ccc1Oc1cccc(Cl)c1 1474294160 JGBZPWQHZGBFNU-LBPRGKRZSA-N 318.779 4.521 30 20 DJED CCC(CC)C(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@H]2C 1526732734 VESHKWXQGISFFX-WDEREUQCSA-N 304.459 4.680 30 20 DJED N#CC[C@H](CC(=O)NC1CCC(C2CCC2)CC1)c1ccccc1 1586702756 VSESMBDTKPMCQB-IOJLRTSASA-N 324.468 4.549 30 20 DJED Cc1nc(N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)ccc1C#N 1612500903 WKDSCDYLCFZAKD-YOEHRIQHSA-N 311.816 4.663 30 20 DJED N#Cc1ccc(CSc2nc3cc(F)cc(Cl)c3o2)s1 1641071885 LRXAUWZDRNYPHB-UHFFFAOYSA-N 324.789 4.846 30 20 DJED CCN(Cc1ccc(C#N)cc1C)c1cccc(C(F)(F)F)c1 1646354460 ZXJRLICVWQLKHU-UHFFFAOYSA-N 318.342 4.912 30 20 DJED CC(C)(C)C[C@@H](NCc1ccc(F)cc1C#N)c1ccccc1 1657976583 RVODLDJQYLDCMB-LJQANCHMSA-N 310.416 4.964 30 20 DJED CC(C)c1ccc(NN=Cc2ccc3oc(C(=O)O)cc3c2)cc1 1776060548 ZOBZHIWSNGFNSM-UHFFFAOYSA-N 322.364 4.700 30 20 DJED CC(C)(C)c1ccc(C(=O)/C=C/c2csc([N+](=O)[O-])c2)cc1 59404820 SBIGDABQJKSLNH-RUDMXATFSA-N 315.394 4.850 30 20 DJED N#Cc1ccccc1CNc1ccc(C(F)(F)F)cc1Cl 70160088 KKYNFFYARTZUNO-UHFFFAOYSA-N 310.706 4.843 30 20 DJED N#CCCSc1ccccc1NC(=O)c1coc2ccccc12 113052640 UXIXYMXHMIKRQA-UHFFFAOYSA-N 322.389 4.691 30 20 DJED CC(C)[C@@H](NCc1ccc(C#N)s1)c1ccc(Cl)cc1 135674235 JNLBJZQEEDGILM-MRXNPFEDSA-N 304.846 4.760 30 20 DJED Cc1coc(-c2ccc(C)c(NCc3cc(C#N)cs3)c2)n1 152564022 DRIHSKMXYUKWBY-UHFFFAOYSA-N 309.394 4.504 30 20 DJED CCOc1ccc(/C=C\C(=O)c2cccc(OC(F)F)c2)cc1 210024421 NTLXSXXEZZVVCV-FLIBITNWSA-N 318.319 4.583 30 20 DJED Cc1ccoc1C(=O)/C=C\c1csc(-c2ccsc2)n1 255542194 MIMDOSOTESDGAP-IHWYPQMZSA-N 301.392 4.669 30 20 DJED N#CCCSc1ccccc1NCCCCC1CCOCC1 281202536 NGIWNTUSNJXFHK-UHFFFAOYSA-N 318.486 4.701 30 20 DJED C=C[C@@H](CC(=O)Nc1ncsc1C(C)C)c1ccccc1 288804318 IUYAMLAJZNGBSF-ZDUSSCGKSA-N 300.427 4.565 30 20 DJED Cc1cccc([C@H](C)Nc2nc(C(F)(F)F)ccc2C#N)c1C 301260408 FFBWICDORYFCJI-LBPRGKRZSA-N 319.330 4.762 30 20 DJED Cc1noc(C)c1[C@@H](C)C/C(O)=N/C[C@@H]1C[C@H]1C1CCCCC1 329342302 PMQYPHDXQUXMRK-ZLIFDBKOSA-N 318.461 4.958 30 20 DJED CCC[C@H](CC1CCCC1)/C(O)=N/[C@H]1CCCc2c[nH]nc21 330126542 MLMAAWTVEIDPSN-ZBFHGGJFSA-N 303.450 4.740 30 20 DJED CC(C)Oc1ccccc1CN[C@H]1CCCc2cc(C#N)ccc21 341762966 WLMOCSCOEOAAKJ-FQEVSTJZSA-N 320.436 4.513 30 20 DJED C=CCC(CC=C)c1nc(-c2ccc(Cl)cc2OC)no1 445678435 MMICZRIDXAKZPA-UHFFFAOYSA-N 304.777 4.634 30 20 DJED CC(C)C[C@@H](NC(=O)[C@H](C)c1cccc(C#N)c1)c1ccccc1 461740046 ISYSDGJHIZZKKD-OXQOHEQNSA-N 320.436 4.565 30 20 DJED CO[C@@H](CNc1ccc(Cl)cc1C#N)c1ccc(Cl)cc1 462894452 HUIKCVZQCUTNMF-INIZCTEOSA-N 321.207 4.665 30 20 DJED CC(C)(C#N)CCCN(Cc1ccccc1C(F)(F)F)C1CC1 472453247 YZMZJPKDYWXNHG-UHFFFAOYSA-N 324.390 5.000 30 20 DJED C=C(C)[C@@H](NCc1cccc(F)c1F)c1ccc(F)c(F)c1 479404377 DDYNAOBKLTZJDN-QGZVFWFLSA-N 309.306 4.650 30 20 DJED CCN(Cc1nc2ccccc2s1)[C@@H](C)c1ccc(C#N)cc1 497593923 MSJDJAYLDSEZRQ-AWEZNQCLSA-N 321.449 4.751 30 20 DJED C=CCOc1ccc(CNCc2cccc(SCC)c2)cc1 512573792 OGHXRFFIWAGYMZ-UHFFFAOYSA-N 313.466 4.653 30 20 DJED CCC[C@H](C#N)NC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 525711054 DHOKWPRRNCQFIJ-MRXNPFEDSA-N 324.424 4.666 30 20 DJED C[C@@H](NCc1ccccc1C#N)c1cc(F)c(Cl)cc1Cl 539242626 BZAKZQHFHBDPTA-SNVBAGLBSA-N 323.198 4.855 30 20 DJED CC#CCCNC(=O)c1cc(Cl)ccc1SC1CCCC1 541749376 NILGDZDIMCRECE-UHFFFAOYSA-N 321.873 4.518 30 20 DJED C[C@@H](Nc1ccc(C#N)nc1)c1ccc(-c2cccc(C#N)c2)cc1 542037426 KDTIPNWIUWHWDO-OAHLLOKOSA-N 324.387 4.665 30 20 DJED CC(C)c1ccc2c(c1)[C@H](NCC(C)(C)CCC#N)CCCO2 554363388 LEIRHOJYJAESSL-GOSISDBHSA-N 314.473 4.943 30 20 DJED C=C(C)CN(CC)C(=O)[C@@H](C)S[C@@H]1CCCc2ccccc21 555123005 DMMFCIVYDHNDNZ-CRAIPNDOSA-N 317.498 4.610 30 20 DJED C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1c(F)cccc1Cl 564427942 OOZODMMHOZGUEW-PIGZYNQJSA-N 314.791 4.689 30 20 DJED CCCc1ccccc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 569028937 NRUAEBYQPOHOSH-UHFFFAOYSA-N 324.399 4.566 30 20 DJED C=CCCSCc1nc(-c2cccc(C(F)(F)F)c2)no1 610092049 GLYLWRZXIDJFDN-UHFFFAOYSA-N 314.332 4.565 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](c1cccs1)C1CC1 611390113 CQSYLYITQZHDDB-HKUYNNGSSA-N 308.450 4.738 30 20 DJED C[C@@H](N[C@@H]1CCCc2c(Cl)cccc21)c1cccc(C#N)c1 612572477 LZKAWQFRBWWLDJ-BFUOFWGJSA-N 310.828 4.940 30 20 DJED CC[C@@H](NCc1ccc(C#N)c(Cl)c1)c1cccc(F)c1 619754935 OTOJWSLKLRMWLH-QGZVFWFLSA-N 302.780 4.592 30 20 DJED C=CCC[C@H](NC(=O)N1CCC(F)(F)C[C@@H]1C)c1ccccc1 623785788 KCNKDYDUVCQGNE-HOCLYGCPSA-N 322.399 4.523 30 20 DJED Cc1ccc2sc(/C=C\c3cccc(OCC#N)c3)nc2c1 727744913 WWTUYQREIGRJQY-VURMDHGXSA-N 306.390 4.678 30 20 DJED C[C@@H](C#N)Oc1ccc(/C=C2\CCCc3ccccc3C2=O)cc1 728695014 PQPILZJWKANVTQ-VUODPORTSA-N 317.388 4.580 30 20 DJED COc1cccc(/C=N/[C@@H](C)c2csc3ccccc23)c1O 729936140 IOLITZGQZFIIBH-NJDFMEINSA-N 311.406 4.796 30 20 DJED CC(=NNc1ncccc1C(F)(F)F)c1cc(C)cc(C)c1 730433596 PXHRTSMAISCRBX-UHFFFAOYSA-N 307.319 4.553 30 20 DJED N#Cc1ccc(-c2cccc(CNCc3ccc(F)cc3)c2)s1 740010778 IGSCPUYMMDLBQG-UHFFFAOYSA-N 322.408 4.716 30 20 DJED Cc1cc(C(=O)/C=C\c2ccc(O)c(Cl)c2)cc(C)c1F 741467889 RCFRAAFQKPGLPS-HYXAFXHYSA-N 304.748 4.698 30 20 DJED CC1=C(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)CCC1 747205868 WTCSYTHVHASNPY-INIZCTEOSA-N 322.433 4.795 30 20 DJED C=C(Br)CN1CCCC[C@H]1c1cc2ccccc2[nH]1 749299260 VHFQNVIGBKDSLC-INIZCTEOSA-N 319.246 4.604 30 20 DJED C=CCC(CC=C)C(=O)O[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 758521925 BGXIPHYSBHFWPA-NSHDSACASA-N 318.804 4.589 30 20 DJED C[C@H](NCc1ccc(C#N)cc1)c1ccc(OC(C)(C)C)cc1 765816090 XAHXAGSYMJAIQS-HNNXBMFYSA-N 308.425 4.586 30 20 DJED C#CC[C@@H](NCc1ccccc1C(F)(F)F)c1ccccc1 775400391 ZOVXGOYILRMUTH-QGZVFWFLSA-N 303.327 4.560 30 20 DJED CC(C)(C#N)OC(=O)c1csc(-c2ccc(Cl)cc2)c1 796983602 OYQFZTKAAUWOCX-UHFFFAOYSA-N 305.786 4.527 30 20 DJED CC(C)(NCc1cc(C#N)cs1)c1ccc(C(F)(F)F)cc1 883324323 PKNODPFZFCZVEC-UHFFFAOYSA-N 324.371 4.663 30 20 DJED CCCCCCCCC(=O)Nc1ccccc1N1CCCC1=O 887433942 WETBPTUPGBEWKQ-UHFFFAOYSA-N 316.445 4.503 30 20 DJED N#CC1(c2ccc(-c3cccc4scnc34)cc2)CCOCC1 906203772 BCGOYSJSUSWTED-UHFFFAOYSA-N 320.417 4.535 30 20 DJED CC(=NNc1nncc2ccccc12)c1cccc2ccccc12 915909770 QTFHWUOWZDTVEP-UHFFFAOYSA-N 312.376 4.619 30 20 DJED CC[C@@H](OC(=O)c1sccc1C#N)C(C)(C)c1ccccc1 1126284444 XKEZHSXRFRRWJM-OAHLLOKOSA-N 313.422 4.533 30 20 DJED CC[C@@H](OC(=O)c1ccc(C#N)c(Cl)c1)c1ccc(C)cc1 1127847811 IKBBZJRPXAKYMS-QGZVFWFLSA-N 313.784 4.828 30 20 DJED CC(C)(C)C1CCC(OC(=O)CC2(C#N)CCCCC2)CC1 1354137747 XZOORYWWFICWND-UHFFFAOYSA-N 305.462 4.999 30 20 DJED CC(C)(C)c1ccc(C#N)c(N(Cc2ccccc2F)C2CC2)n1 1458099766 OHHLYSUQLLRAIZ-UHFFFAOYSA-N 323.415 4.559 30 20 DJED CSCC1CCC(Nc2nc(C(C)(C)C)ccc2C#N)CC1 1472791802 YYOKHQOHSVJSTP-UHFFFAOYSA-N 317.502 4.584 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(C#N)c1 1526210825 IZWUPLBWNXLULX-ZBFHGGJFSA-N 318.848 4.546 30 20 DJED N#Cc1cc(F)cc(NC(=O)c2ccc(-c3ccccc3)s2)c1 1544390506 PCTHLQKCZUCAAP-UHFFFAOYSA-N 322.364 4.678 30 20 DJED C[C@H](NCc1cc(Cl)ccc1OCC#N)[C@H]1CCC[C@@H](C)C1 1559911076 DVOJKKXFWDBYRP-ILXRZTDVSA-N 320.864 4.547 30 20 DJED N#Cc1ccc(C2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 1561026493 GFUDHPPPGNKVLY-VXKWHMMOSA-N 316.448 4.541 30 20 DJED CC[C@@H](Cc1ccccc1)N(C)Cc1ccc(C#N)cc1Cl 1615679019 PBYMSKKINDTVBQ-SFHVURJKSA-N 312.844 4.665 30 20 DJED N#Cc1cccc(Br)c1N[C@@H]1C[C@@H]1C1CCCCC1 1651577537 PXQXEUCMLBKEMC-UKRRQHHQSA-N 319.246 4.701 30 20 DJED CC[C@@H](C)[C@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N 1651727324 KLWSPLOZVQGICU-SCZZXKLOSA-N 302.365 4.807 30 20 DJED CC(C)N(CC[C@@H](C)c1ccccc1)Cc1ccc(C#N)cc1 1651760984 OIJYIXPMVGLJJJ-GOSISDBHSA-N 306.453 4.962 30 20 DJED C[C@H](CCC#N)CN1CCC(Cc2ccc(Cl)cc2)CC1 1652975712 SFFGKFAZZNIGTE-OAHLLOKOSA-N 304.865 4.534 30 20 DJED CC(C)CN(Cc1ccc2ncccc2c1)c1ccc(C#N)cc1 1653661623 REKCBDJYUBCXKL-UHFFFAOYSA-N 315.420 4.769 30 20 DJED C[C@@H](CC(C)(C)C#N)NCC1(c2cccc(Cl)c2)CCC1 1658741431 FLVUAPCWJFKBCR-AWEZNQCLSA-N 304.865 4.680 30 20 DJED C[C@H]1CCCN(C(=O)Nc2ccc(CC#N)cc2)c2ccccc21 1665115983 QCLQXJRTIOLPFO-HNNXBMFYSA-N 319.408 4.688 30 20 DJED Cc1cc(C#N)cc(NC(=O)N[C@@H](c2ccccc2C)C(C)C)c1 1672775850 SAMSBBIJBJGNOI-LJQANCHMSA-N 321.424 4.694 30 20 DJED N#CCCSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 5255739 ILEJTXKDAXIGRX-UHFFFAOYSA-N 317.464 4.872 30 20 DJED Cc1csc(-c2cccc(NCc3ccc(C#N)cc3)c2)n1 102395640 FZSJGYVRUZRQND-UHFFFAOYSA-N 305.406 4.602 30 20 DJED N#Cc1ccc(COc2ccc(Br)cc2)c(Cl)c1 162967263 KFVKSQXBWMTNDJ-UHFFFAOYSA-N 322.589 4.553 30 20 DJED Cc1ccc(-c2nnc([C@H](C)Sc3ccccc3C#N)o2)cc1 172680396 MHWQRYUZRSTGCQ-ZDUSSCGKSA-N 321.405 4.770 30 20 DJED CCC[C@H](C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 174002716 LEPMQYJQJWBWJV-GXSJLCMTSA-N 306.818 4.562 30 20 DJED N#Cc1ccc(CN[C@@H](c2ccccc2)c2ccc(Cl)cc2)o1 174244263 HWBBRBAFFBIODI-IBGZPJMESA-N 322.795 4.684 30 20 DJED Cc1oc(-c2cccs2)nc1CSc1cccc(C#N)c1 177103012 RBXMDGJXZXTINK-UHFFFAOYSA-N 312.419 4.876 30 20 DJED C=C[C@@H](CC(=O)Nc1c(C)cc(N(C)C)cc1C)c1ccccc1 179532166 FEZBYTWPKXYKBW-KRWDZBQOSA-N 322.452 4.668 30 20 DJED C[C@@H](NCc1ccc(F)c(C#N)c1)c1cccc(Cl)c1Cl 183754362 PLGMUWOBVFEMNN-SNVBAGLBSA-N 323.198 4.855 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1cc(SC)ccc1Cl 189900347 QUIHFTSXHRRVND-UHFFFAOYSA-N 324.877 4.606 30 20 DJED C[C@H](N[C@@H]1CCSc2c(F)cccc21)c1ccc(C#N)cc1 192988813 LVLBGLZCYIDHEX-YVEFUNNKSA-N 312.413 4.585 30 20 DJED Cc1cc([C@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)c(C)s1 193016900 ZWRRMMJWIUXTDD-KBPBESRZSA-N 314.454 4.679 30 20 DJED C[C@@H]1N=C(O)CC[C@@H]1/N=C(/O)C1(C2CCCCC2)CCCCC1 328695740 GLNGZFKWRMSVDW-HOCLYGCPSA-N 320.477 4.981 30 20 DJED CC[C@@H]1CCCC[C@H]1/N=C(/O)c1ccc2c(c1)N=C(O)C2(C)C 328748039 LWYBEJINHSYTRU-IUODEOHRSA-N 314.429 4.839 30 20 DJED C[C@@]1(/N=C(/O)Cc2cc3c(ccc4ccccc43)o2)CCCOC1 329186413 QOUVDMAZWYVCME-HXUWFJFHSA-N 323.392 4.654 30 20 DJED OC(=Nc1csc(-c2ccccn2)n1)C1CCC(F)(F)CC1 329675928 VXVXSUVYBWTFFM-UHFFFAOYSA-N 323.368 4.619 30 20 DJED CC[C@H](NCc1ccc(CSC)cc1)c1ccc(C#N)cc1 353949083 ZMHRAFRSSMVTKB-IBGZPJMESA-N 310.466 4.662 30 20 DJED C[C@H](NCc1cccc(F)c1C#N)c1ccc(Cl)c(Cl)c1 428311314 QLJGILXGRPRLMK-JTQLQIEISA-N 323.198 4.855 30 20 DJED CCCCc1ccc(NC(=O)c2cccc(SCC#N)c2)cc1 429943758 NKEAUFDQCQWMRG-UHFFFAOYSA-N 324.449 4.897 30 20 DJED C=CCCC[C@@H](C)NC(=O)Nc1cc(-c2cccnc2)ccc1C 432816177 NOZRXBRRULAFHE-MRXNPFEDSA-N 323.440 4.923 30 20 DJED CCC(CC)n1ccc(CSCc2ccc(F)cc2C#N)n1 433651587 AFVGDAZGVNMBMN-UHFFFAOYSA-N 317.433 4.688 30 20 DJED CC(C)(C)CN(CC(C)(C)C)C(=O)Nc1cccc(CC#N)c1 455911338 WEDQSJDUMORTDP-UHFFFAOYSA-N 315.461 4.679 30 20 DJED N#Cc1cc(F)ccc1NCCCCCOC1CCCCC1 462843534 JKIPMYLWSLYKHB-UHFFFAOYSA-N 304.409 4.629 30 20 DJED C=C[C@@H](C)NC(=O)Nc1ccccc1-c1nc2ccccc2s1 465178331 KVQIQVKFPSZOJE-GFCCVEGCSA-N 323.421 4.659 30 20 DJED C[C@H](C#N)C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1 472205547 LAVSTQKTGOOXET-LLVKDONJSA-N 316.813 4.589 30 20 DJED C[C@H](CCNC(=O)C[C@H](CC#N)c1ccccc1)CC(C)(C)C 476924008 FKGBAJLXDMAEHT-AEFFLSMTSA-N 314.473 4.653 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)CC(C)C 506650146 FBKQJBGEQOUIQU-GFCCVEGCSA-N 314.882 4.534 30 20 DJED N#Cc1cccc(CSCc2coc(-c3cccc(F)c3)n2)c1 520640239 LWMPRXCDNUPMLS-UHFFFAOYSA-N 324.380 4.786 30 20 DJED CCC(=O)c1cc(Cl)ccc1OCc1ccc(F)c(C#N)c1 532343681 PPEZJYRBFLDMES-UHFFFAOYSA-N 317.747 4.522 30 20 DJED C=CCCCCCN(C)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 532579024 RJAYFHUKXTZFSZ-MRXNPFEDSA-N 313.445 4.784 30 20 DJED C[C@H](NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(C#N)c1 538393515 NCWAGHQJNZPWJZ-DUVNUKRYSA-N 310.363 4.578 30 20 DJED N#Cc1ccc(NC(=O)CC2CC(c3ccccc3)C2)c(Cl)c1 546962211 NBTZBMASQHMYGE-UHFFFAOYSA-N 324.811 4.734 30 20 DJED N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1sccc1Cl 555015157 UBVTYTSEIUNCPM-GOEBONIOSA-N 316.857 4.673 30 20 DJED N#CC1(CN[C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 560177202 UTTZKJKFZUOLKN-IAGOWNOFSA-N 302.849 4.650 30 20 DJED N#Cc1ccc2c(c1)[C@H](NCc1c(Cl)cccc1Cl)CC2 573611243 UCAQHCNQVJXXDL-QGZVFWFLSA-N 317.219 4.642 30 20 DJED C[C@H](SCc1ccc(-n2cccn2)cc1)c1ccc(C#N)cc1 609825333 RQSBGJYDUVOIBA-HNNXBMFYSA-N 319.433 4.738 30 20 DJED C[C@@H](NC(=O)Nc1ccc(C2CCC2)cc1)c1cccc(C#N)c1 618780356 BKEYNPUFHMCBRO-CQSZACIVSA-N 319.408 4.708 30 20 DJED C=C(C)[C@H](N[C@@H](C)c1nc(C)cs1)c1ccc(F)c(F)c1 623963755 OGYJJMXMMBMLOU-NHYWBVRUSA-N 308.397 4.698 30 20 DJED C=CCC[C@@H](NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)C1CC1 676639694 SUKIXGCDJSZVEN-HNAYVOBHSA-N 318.892 4.501 30 20 DJED O=C1/C(=C\c2cccc(C(F)(F)F)c2)COc2ccc(F)cc21 731565271 JOFQXULAQRULMV-WDZFZDKYSA-N 322.257 4.503 30 20 DJED N#CCC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 749036499 WQMXRHYDWNJHID-LVMGUKCRSA-N 324.811 4.514 30 20 DJED C=CCCCC[C@@H](C)NC1CCC(O)(c2ccccc2)CC1 765942032 ULTHNZXRDRZFLC-QHGAOEGBSA-N 301.474 4.541 30 20 DJED C[C@H](Nc1ccc(OC(F)F)c(F)c1)c1ccc(C#N)c(F)c1 776852445 IAJLLISAJJSHNO-VIFPVBQESA-N 324.277 4.611 30 20 DJED O=C(/C=C\c1scnc1C1CC1)c1cc2c(s1)CCCC2 782347617 LVRRGLUEDBNARQ-FPLPWBNLSA-N 315.463 4.857 30 20 DJED N#CC[C@H](CC(=O)Oc1ccc(C2CCC2)cc1)c1ccccc1 796849087 FHWQRIBZNJTHFY-LJQANCHMSA-N 319.404 4.947 30 20 DJED C=CCC(C)(C)C(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1 796924753 ZPYATMXXVJDFPQ-UHFFFAOYSA-N 319.401 4.541 30 20 DJED N#Cc1sc(N[C@H](c2ccc(F)cc2)C2CCC2)nc1Cl 804431233 MTIHJGHPXDGJAF-ZDUSSCGKSA-N 321.808 4.761 30 20 DJED COc1c(C)cc([C@@H](C)NCC(C)(C)CCC#N)cc1Cl 806177603 DMRNFFFBTXBYKW-CYBMUJFWSA-N 308.853 4.638 30 20 DJED CC(C)c1nc(C#N)c(NN=C2CCCCC23CCCC3)o1 814821140 VAJLAJPWYJJPEV-UHFFFAOYSA-N 300.406 4.572 30 20 DJED CC(C)CN(CCC#N)C(=O)c1cc2c(ccc3ccccc32)o1 858826915 QZBLSLBFSUCZMH-UHFFFAOYSA-N 320.392 4.598 30 20 DJED CC(C)(C)C1CCC(OC(=O)[C@]2(C#N)CC23CCCC3)CC1 1124598069 SONRPVGWVQGUOQ-JFIBYHEFSA-N 303.446 4.609 30 20 DJED Cc1ccc(C[C@H](C#N)S[C@H]2CCc3ccccc3C2)cc1 1189702373 MFLPGZKIZZZHPE-VQTJNVASSA-N 307.462 4.720 30 20 DJED Cc1cc(C)cc(C2=CCN(Cc3ccc(C#N)cc3C)CC2)c1 1192292004 LHSHVLHJVLMJFT-UHFFFAOYSA-N 316.448 4.773 30 20 DJED Cc1cc(C#N)cc(NCc2sc(C)cc2Br)c1 1202805163 OOXXGGGFAFHWEV-UHFFFAOYSA-N 321.243 4.611 30 20 DJED CC1(C)CCC(CNC(=O)Nc2ccc(C#N)cc2Cl)CC1 1215838720 RXUAQIQFFBLAMF-UHFFFAOYSA-N 319.836 4.550 30 20 DJED CCC1(CC)CN(c2c(C#N)cccc2C#N)c2ccccc21 1307071053 HSJPUXWPZZJWKM-UHFFFAOYSA-N 301.393 4.639 30 20 DJED Cc1ccnc(N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)c1C#N 1307144074 VCDOARLHFPVFKB-ZBFHGGJFSA-N 311.816 4.663 30 20 DJED CC(C)c1cccc(N(C)C(=O)[C@@H](C)Cc2ccc(C#N)cc2)c1 1357401198 PUBVUDJSFMBQGX-INIZCTEOSA-N 320.436 4.523 30 20 DJED Cc1cc(Cl)c(NC(=O)[C@H](CC#N)c2ccccc2)cc1C 1436374397 WSCJNMZWCRRDEP-OAHLLOKOSA-N 312.800 4.593 30 20 DJED Cc1ccc(C(C)(C)CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 1459573414 ILKKWKMMYNAMAV-KRWDZBQOSA-N 306.453 4.837 30 20 DJED CCCOc1ccccc1[C@H](CC(C)C)Nc1cccc(C#N)n1 1472719316 DZFBOSHBOJLJCC-SFHVURJKSA-N 323.440 4.941 30 20 DJED CC[C@@H]1C[C@H]1CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1473374792 MTSMOTRGSKVYKR-XPIZARPCSA-N 304.437 4.922 30 20 DJED C[C@@H]1C[C@H](NCCc2ccc(C#N)cc2)C[C@H](c2ccccc2)C1 1560530250 BJBOEFOCEKAGEA-WTOYTKOKSA-N 318.464 4.663 30 20 DJED Cc1ccccc1C(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@H]2C 1588270410 DKLNDPUWEDFXOJ-WCQYABFASA-N 324.449 4.866 30 20 DJED Cc1cc(CN[C@@H](CC2CCC2)c2ccccc2)ccc1C#N 1620882955 KMGAQDOKHABIGA-NRFANRHFSA-N 304.437 4.888 30 20 DJED CCc1ccccc1CNc1c(C#N)cnc2c(Cl)cccc12 1642302565 RTBRZIWGHLKMJA-UHFFFAOYSA-N 321.811 4.934 30 20 DJED C[C@@H](CCC#N)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1659428738 QOXVBVVRWSZVGU-IRXDYDNUSA-N 317.436 4.816 30 20 DJED CCC[C@@H]1CCCC[C@H]1CNC(=O)Nc1scc(C)c1C#N 1671133821 GNRIMQIIFUJBKR-KGLIPLIRSA-N 319.474 4.656 30 20 DJED CC(=NNc1cccc(Cl)c1Cl)c1ccccc1C(=O)O 1776081124 ZDJJILJDYLMDGJ-UHFFFAOYSA-N 323.179 4.528 30 20 DJED CC(C)Cc1ccc(C(=O)/C=C\c2cccc(C(=O)O)c2)s1 1776339649 IREUMALZVBTWEV-VURMDHGXSA-N 314.406 4.541 30 20 DJED CC[C@H](C)c1ccc(C(=O)/C=C/c2ccc(O)c(C(=O)O)c2)cc1 1776697670 METBEDHIJXRAOY-CFDVYZKQSA-N 324.376 4.500 30 20 DJED CC1C/C(=C/c2cccc(O)c2)C(=O)/C(=C/c2cccc(O)c2)C1 12602026 JNORQBSGNLWLKJ-ICFDZUSXSA-N 320.388 4.564 30 20 DJED Cc1nc(C)c(C#N)c(SCc2ccc(Cl)cc2Cl)n1 25959370 WUJJMSQMYJAAMD-UHFFFAOYSA-N 324.236 4.564 30 20 DJED N#CCc1cccc(C(=O)N2CCCCC[C@@H]2c2ccccc2)c1 78967146 QXPSUWNOBVFESC-HXUWFJFHSA-N 318.420 4.510 30 20 DJED Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc3ncccc3c1)CO2 108968234 ZXFFNGFKLYYBSU-BOPFTXTBSA-N 315.372 4.510 30 20 DJED C[C@@H](N[C@H](C)c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 121846949 RQJUUUDQXPJTTA-CHWSQXEVSA-N 318.342 4.989 30 20 DJED C[C@H](C(=O)Nc1ccc(F)cc1C#N)c1ccc2ccccc2c1 177348628 DNZNWYGAYIAWJC-ZDUSSCGKSA-N 318.351 4.593 30 20 DJED C[C@@H](NCc1cccc(COC(C)(C)C)c1)c1cccc(C#N)c1 181654421 WIKPTZAMPCDDMC-MRXNPFEDSA-N 322.452 4.724 30 20 DJED CCC[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)cc1F 192161920 FMGZTNZWOGOFQQ-SFHVURJKSA-N 318.342 4.607 30 20 DJED N#Cc1ccc(NCc2cccc3cc[nH]c23)c(C(F)(F)F)c1 322517311 KOKLISWQLZAPPP-UHFFFAOYSA-N 315.298 4.670 30 20 DJED C=CCC[C@H](NCc1ccc(N(C)C(C)C)nc1)c1ccccc1 359697631 CHCMWPJTSOEZSO-FQEVSTJZSA-N 323.484 4.723 30 20 DJED Cc1c(-c2nc(-c3ccsc3)no2)sc2ccc(C#N)cc12 426447626 LVLCACSYECLEMM-UHFFFAOYSA-N 323.402 4.860 30 20 DJED CC(C)(C#N)CCCN1CCCC[C@H]1c1ccc(F)cc1F 432010192 ALNHAKCSXRNEJP-KRWDZBQOSA-N 306.400 4.822 30 20 DJED Cc1ccccc1CCCNc1cccc(OCCCC#N)c1 439536645 VVSNDFZSXZEICN-UHFFFAOYSA-N 308.425 4.722 30 20 DJED CC(C)[C@@H](Cc1ccc(F)cc1)N[C@H](C)c1ccc(C#N)cc1 463904052 HHTPJKYQLUUJST-FOIQADDNSA-N 310.416 4.615 30 20 DJED Cc1ccc(Oc2ccccc2)c(NC(=O)CC(C)(C)C#N)c1 469716749 HAHFRTARLWDDHR-UHFFFAOYSA-N 308.381 4.666 30 20 DJED C=CCOc1ccc(-c2nnc(SCCCCC)o2)cc1 478720205 IXZZCNNVZFOEJD-UHFFFAOYSA-N 304.415 4.584 30 20 DJED C[C@H](N[C@@H]1CCCc2ccc(F)cc21)c1ccc(C#N)c(F)c1 479473267 WPNPDHSNAWHFBF-HXPMCKFVSA-N 312.363 4.565 30 20 DJED C=CCOc1cccc(CN[C@@H](c2ccccc2C)C2CC2)c1 489074814 VYNWPRBFVDEEHT-OAQYLSRUSA-N 307.437 4.801 30 20 DJED CCC(C)(C)OCc1cccc(NC(=O)CC(C)(C)C#N)c1C 500129817 HUBKYLATTCSQAP-UHFFFAOYSA-N 316.445 4.579 30 20 DJED Cc1cc(CN[C@]2(c3ccc(Cl)cc3)C[C@@H]2C)ccc1C#N 500431483 XTWOXBJOWLABQT-IFXJQAMLSA-N 310.828 4.545 30 20 DJED Cc1cc(Cl)c(C(=O)N[C@](C)(C#N)C2CCCCC2)cc1C 519019673 WVHPYUNSRYVDBA-GOSISDBHSA-N 318.848 4.549 30 20 DJED C=C[C@H](CC(=O)N1CCc2ccccc2C1(C)C)c1ccccc1 553032675 QGMAHLKSXYXYSL-QGZVFWFLSA-N 319.448 4.666 30 20 DJED C=CCC(C)(C)c1noc(-c2nc(-c3ccco3)sc2C)n1 556362958 AQGWLIMEWSLDDS-UHFFFAOYSA-N 315.398 4.615 30 20 DJED C[C@@H](NCc1cc(C#N)cs1)c1ccc(F)c2ccccc12 578466340 ZNHLCKUZFVBBCB-GFCCVEGCSA-N 310.397 4.763 30 20 DJED C[C@H](Oc1ccccc1N[C@H]1CCC[C@@H](C#N)C1)C(F)(F)F 589209732 RIHYTECUQSMRNE-XQQFMLRXSA-N 312.335 4.510 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C/c1cccc(Br)c1)C2 730948506 HKRPJMXAXUTPRU-RIYZIHGNSA-N 313.194 4.580 30 20 DJED CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1C 731313889 PBVVWERBIFZJNB-UHFFFAOYSA-N 321.739 4.532 30 20 DJED Cc1ncsc1/C=C1\CCCc2ccc(Cl)cc2C1=O 742434475 JWLAONJCJRDVDA-KPKJPENVSA-N 303.814 4.708 30 20 DJED O=C(/C=C\c1cccc(-c2ccccn2)c1)c1cccc(F)c1 747698131 JEXWMGXOGFNJKE-KHPPLWFESA-N 303.336 4.784 30 20 DJED CC[C@@H](C)c1ccccc1OC(=O)c1c(F)cc(C#N)cc1F 755109565 SEJZSYNGAVUUQW-LLVKDONJSA-N 315.319 4.569 30 20 DJED C[C@@H](NN=Cc1ccc(F)cc1C(F)(F)F)c1ccccc1 771876998 HNVLZRNXKZKSTI-LLVKDONJSA-N 310.294 4.529 30 20 DJED CCOc1cc(/C=C/C(=O)c2cc3ccccc3s2)ccc1O 780188546 MFHBZQKCUNDPFL-CSKARUKUSA-N 324.401 4.902 30 20 DJED Cc1ncccc1/C=C\C(=O)c1ccc(OC(C)C)c(Cl)c1 789157441 LSEIIXKDUCIGCK-VURMDHGXSA-N 315.800 4.727 30 20 DJED FCC[C@H]1CCCC1=NNc1ncc(C(F)(F)F)cc1Cl 794858771 VTASUGQJYSJBFV-MRVPVSSYSA-N 323.721 4.681 30 20 DJED C#C[C@@H](C)NC(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 806337905 JNPCDYJEZSKGSF-HUUCEWRRSA-N 324.449 4.683 30 20 DJED CCOc1ccc(/C=C\C(=O)c2c(F)cccc2Cl)cc1F 809159701 UXFBMZTYQCWXPB-VURMDHGXSA-N 322.738 4.913 30 20 DJED CC[C@H](CC(C)C)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 835388871 XHIQALHLXIJALK-OLZOCXBDSA-N 306.475 4.689 30 20 DJED CCCC(=CC(=O)[C@H](C#N)c1nc(C2CC2)cs1)CCC 842940767 JIUZOWWKGLYPBG-AWEZNQCLSA-N 302.443 4.723 30 20 DJED CCCCCCCCCC(=O)N1CC[C@H](c2ccncc2)C1 848100299 BPWBSEIXZHPSFK-SFHVURJKSA-N 302.462 4.538 30 20 DJED CCCCCCCSc1nnc(-c2ccncc2)n1CCC 915789677 FZAFAAJACDPINX-UHFFFAOYSA-N 318.490 4.813 30 20 DJED COc1ccc(/C=C/C(=O)c2cccc(C#N)c2)c2ccccc12 915991977 OQIABEADGVLORY-PKNBQFBNSA-N 313.356 4.616 30 20 DJED C=CCCO[C@@H](C)c1nnc([C@H](C)Oc2cccc(Cl)c2)o1 1117247498 JYERRIHFMYZDGR-RYUDHWBXSA-N 322.792 4.517 30 20 DJED C=CCC[C@@H]1CCCN1C(=O)Nc1cccc(COC(C)C)c1 1123401556 DSRPALXGZYJURD-GOSISDBHSA-N 316.445 4.574 30 20 DJED CCC(C)(C)C1CCC(CC(=O)N(C[C@@H](C)C#N)C2CC2)CC1 1137929730 NVCWAHRLVPTKPB-GTPINHCMSA-N 318.505 4.770 30 20 DJED CN(Cc1ccc(F)c(C#N)c1)Cc1c(Cl)cccc1Cl 1205493652 HKSUGKQNGHUEKG-UHFFFAOYSA-N 323.198 4.636 30 20 DJED CCCCN(C(=O)c1cc(C#N)ccc1F)[C@@H](C)c1ccccc1 1456770791 LFAQDHWZHSVBKJ-HNNXBMFYSA-N 324.399 4.701 30 20 DJED C[C@H](OC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cccc(C#N)c1 1457759681 IRWSEYCKOJSOBY-QNDJGXFYSA-N 311.425 4.769 30 20 DJED C[C@@H](CC(C)(C)c1ccccc1)Nc1nc(C#N)c(Cl)s1 1472676118 WEFFVUUUNFYYQL-NSHDSACASA-N 319.861 4.836 30 20 DJED Cc1ccccc1[C@H](Nc1nccnc1C#N)[C@@H]1CCC[C@H](C)C1 1472691200 PGVNSXLROHEBAU-ZSZQSSIHSA-N 320.440 4.636 30 20 DJED CC[C@@H](C(=O)Nc1scc(C)c1C#N)C1CCC(C)CC1 1525499015 WYIYACXJOKTANL-UXUKBGGZSA-N 304.459 4.719 30 20 DJED C=C(CNC(=O)[C@H](C)c1ccc2ccccc2c1)c1ccccc1 1596357698 WHHHGTMSTKKKKF-QGZVFWFLSA-N 315.416 4.773 30 20 DJED CN(Cc1ccc(F)c(C#N)c1)C1CC(C)(C)CC(C)(C)C1 1643765458 UEAAKWGVFJGQPN-UHFFFAOYSA-N 302.437 4.734 30 20 DJED N#CC1(CCNC2(c3cccc(Cl)c3)CC2)CCCCC1 1645076302 QAZMECAYGIJURN-UHFFFAOYSA-N 302.849 4.783 30 20 DJED CC1(C)CC[C@@H]1NCCC(C#N)(c1ccccc1)c1ccccc1 1645721273 WPRRRCPLMDVENA-FQEVSTJZSA-N 318.464 4.665 30 20 DJED C[C@@H]1C[C@H](Nc2c(C#N)cccc2C#N)C[C@H](c2ccccc2)C1 1651145086 YQOBQJJBYGBZCE-BEVDRBHNSA-N 315.420 4.814 30 20 DJED C=C(CNC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C)c1ccccc1 1682940899 LXTMYRBRADEIRL-ZWKOTPCHSA-N 314.473 4.604 30 20 DJED CC[C@@H](C)c1ccc(C(=O)/C=C/c2ccc(CC(=O)O)cc2)cc1 1776697876 ULGRCPRGSVAWCI-XETPBLJFSA-N 322.404 4.723 30 20 DJED Cc1ccoc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 55428847 JDMJNBWHCBFOHF-UHFFFAOYSA-N 318.332 4.504 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(Cl)c(F)c1 57775554 SKCKPEVLHDMZMV-UHFFFAOYSA-N 318.779 4.699 30 20 DJED C=C1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 111032976 ALIYUOQCQHALDM-LJQANCHMSA-N 323.461 4.699 30 20 DJED CC(=O)Nc1ccc(SCc2ccccc2C(C)(C)C#N)cc1 128914262 NIJMGNHVIYSNHF-UHFFFAOYSA-N 324.449 4.738 30 20 DJED CCOc1ccc(OC)cc1NCc1ccccc1C(C)(C)C#N 131691706 TVEINGHWTJXHPJ-UHFFFAOYSA-N 324.424 4.507 30 20 DJED Cc1nc(CNc2ccccc2S[C@H](C)CC#N)sc1C 176164084 MRRRBQJFVLEQAN-LLVKDONJSA-N 317.483 4.766 30 20 DJED COc1ccc2cc([C@@H](C)NCc3cccc(C#N)c3)ccc2c1 193871688 NEESDXHOAHWIKP-OAHLLOKOSA-N 316.404 4.571 30 20 DJED CCc1ccc(C(=O)/C=C/c2cn3cc(Cl)ccc3n2)s1 195683907 PCTQDCBEURXOJL-GQCTYLIASA-N 316.813 4.508 30 20 DJED C[C@H]1CC(Nc2ccc(C#N)c(Br)c2)C[C@H](C)C1 228189146 CGDIXPZTJDOFPQ-GHMZBOCLSA-N 307.235 4.557 30 20 DJED C[C@H](CCC#N)N[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 411723037 WAPZSKCNLOZJDB-WQVCFCJDSA-N 310.363 4.623 30 20 DJED N#Cc1ccc(CN[C@@H](CC2CC2)c2ccc(Cl)cc2)s1 421880004 NVNUHLANZOUUEA-KRWDZBQOSA-N 316.857 4.904 30 20 DJED CC1=C(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CCC1 437353963 FZNCTJVIPANTFY-ZDUSSCGKSA-N 300.427 4.520 30 20 DJED CCC[C@@]1(C)CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 437585701 WJGDHKAAPAGNEZ-KRWDZBQOSA-N 319.836 4.646 30 20 DJED N#Cc1ccc(Oc2ncnc3sc4ccccc4c23)cc1 440632798 CEUVELMMQUFDTI-UHFFFAOYSA-N 303.346 4.508 30 20 DJED N#C[C@@H]1CCC[C@@H](Nc2cccc(OCc3ccc(F)cc3)c2)C1 463277123 BIOAYEBFQPUSRC-SJLPKXTDSA-N 324.399 4.899 30 20 DJED C[C@H](c1ccccc1)N(CCCSCC#N)c1ccccc1 468507182 SFWXDOQENKKRMB-QGZVFWFLSA-N 310.466 4.901 30 20 DJED C=CCN(CCc1ccco1)C(=O)Nc1cccc2ccccc12 486911246 PWVWQFRBXCKCBA-UHFFFAOYSA-N 320.392 4.695 30 20 DJED C=C[C@H]1CCCCN1C(=O)c1sc2ccc(F)cc2c1C 488880026 LETRIJKELJSVNL-ZDUSSCGKSA-N 303.402 4.530 30 20 DJED N#Cc1ccc(-c2nc(-c3c(Cl)cccc3Cl)no2)s1 494882202 YXECNSFIIRUCDN-UHFFFAOYSA-N 322.176 4.644 30 20 DJED C=CCCOCCCCC(=O)Nc1cc(C)c(Cl)c(C)c1 508056466 XNKIVOBOALYTPX-UHFFFAOYSA-N 309.837 4.658 30 20 DJED CCCCCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 524389248 YDIFQDSRQQLRBO-UHFFFAOYSA-N 322.408 4.656 30 20 DJED C=CCN(Cc1ccccc1)Cc1ccc(SC)c(OC)c1 524632192 XGYAAHZYCJMREX-UHFFFAOYSA-N 313.466 4.605 30 20 DJED COc1ccc([C@@H]2CCCCCN2CCC(C)(C)C#N)cc1 534216438 OBSMYQAFBPUSSW-SFHVURJKSA-N 300.446 4.552 30 20 DJED Cc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)cc1F 534519801 FHOIZFDTLGIMFX-UHFFFAOYSA-N 316.401 4.617 30 20 DJED C=C[C@H](CC(=O)N(C)[C@H]1CCCc2ccccc21)c1ccccc1 536090330 LCZCYVZSUOULMP-UTKZUKDTSA-N 319.448 4.882 30 20 DJED C=CCCC[C@@H](C)NC(=O)N(C)[C@@H](C)c1ccccc1Cl 537187157 VUQHRZIEYSQHTF-KGLIPLIRSA-N 308.853 4.787 30 20 DJED C=CCCC[C@H](C)NC(=O)c1ccccc1-c1ccccc1C#N 537240233 YYVBAFAMSOGCPX-INIZCTEOSA-N 318.420 4.700 30 20 DJED CC(C)c1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)s1 546152984 NNQDPOCHOXLBMJ-UHFFFAOYSA-N 312.438 4.925 30 20 DJED N#CCCSc1ccccc1NCc1ccc(Cl)cc1 561161285 DMEQIAKFXHOVQL-UHFFFAOYSA-N 302.830 4.958 30 20 DJED Cc1ccc([C@H]2CCCN2c2nccc(C#N)c2Cl)cc1C 573587186 HIYJPUVFNAJIDN-MRXNPFEDSA-N 311.816 4.565 30 20 DJED Cc1ccc([C@@H](c2noc(CCCCCC#N)n2)C(C)C)cc1 589154804 GLKNOJNAMULLQU-SFHVURJKSA-N 311.429 4.792 30 20 DJED Cc1c(NC(=O)CC2(C#N)CCCCC2)cccc1C(F)(F)F 597383256 XJAMBMKACWVPFL-UHFFFAOYSA-N 324.346 4.817 30 20 DJED C=CCCCCCN(C)C(=O)Nc1cccc(OCC(C)C)c1 606942386 VWEHGKNRNJFPRC-UHFFFAOYSA-N 318.461 4.932 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1cc(C)ccc1C(F)(F)F 667938282 DTFZQLQZANGPHC-LBPRGKRZSA-N 312.335 4.586 30 20 DJED CC[C@@H](CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)C(C)C 730418650 YDBVHFMQWRSWKO-AAEUAGOBSA-N 318.417 4.684 30 20 DJED CCc1ccc(/C=C/C(=O)c2c(C)nn(C(C)C)c2C)s1 731158901 LIMUARTXOLZBJH-MDZDMXLPSA-N 302.443 4.601 30 20 DJED CCCC(CCc1ccccc1)=NNc1nncc2ccccc12 740760263 OTJBGYWXEGTWCD-UHFFFAOYSA-N 318.424 4.831 30 20 DJED COCc1ccc(/C=C/C(=O)c2ccccc2C(F)(F)F)cc1 741839996 ABMVZJYMPWZWNH-ZHACJKMWSA-N 320.310 4.748 30 20 DJED C[C@@H](/N=C\c1c(O)ccc2ccccc12)c1cccc(C#N)c1 743501239 HFWHHDKFOVCKJM-BXSODOALSA-N 300.361 4.597 30 20 DJED CCCCCCC[C@@H](C)CNC(=O)N(C)[C@@H](C)c1cccnc1 744280013 AEZZFFBJKMENFM-SJORKVTESA-N 319.493 4.781 30 20 DJED Cc1ccc(C(=O)/C=C\c2coc(-c3ccc(C)cc3)n2)cc1 748440376 JUWXQGIWYUSWBU-QXMHVHEDSA-N 303.361 4.855 30 20 DJED C#CCCCC(=O)N(c1ccc2[nH]ccc2c1)[C@H](C)CC(C)C 758209328 YSVHMWIUYSMIJX-MRXNPFEDSA-N 310.441 4.739 30 20 DJED CCc1ccc(C(=O)/C=C/c2nc(C(C)C)n3ccccc23)o1 762599765 BOGGKRZMIAVKHQ-MDZDMXLPSA-N 308.381 4.509 30 20 DJED CCCCCOc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1 765011473 CDMUTDCCTSZMLF-QGZVFWFLSA-N 322.452 4.978 30 20 DJED CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(C#N)s1 766036779 CXUUDQZQYNSBBT-UHFFFAOYSA-N 324.449 4.510 30 20 DJED CCCCCCc1ccc([C@@H](C)NCc2ccc(C#N)cn2)cc1 783293454 HYEFWIKGCIEYIE-QGZVFWFLSA-N 321.468 4.927 30 20 DJED CC[C@@H](C)Sc1ccc(NC(=O)c2ccc(C#N)o2)c(C)c1 794262472 WAECSUXWXXWTQM-GFCCVEGCSA-N 314.410 4.603 30 20 DJED FC(F)(F)c1ccccc1NN=C1CCC[C@@H]1c1ccccn1 794855084 NGXPSZFHVKBSKS-GFCCVEGCSA-N 319.330 4.836 30 20 DJED C[C@@H]1CCC[C@H](CC(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)C1 797569279 ACTIKDJYFNSVOL-RDBSUJKOSA-N 318.486 4.833 30 20 DJED N#CCCCCCC(=O)OCc1ccc(-c2ccsc2)cc1 805697198 VIJFEAKRGJDIOK-UHFFFAOYSA-N 313.422 4.932 30 20 DJED C[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1csc2ccccc12 811802477 BVMGPBPRFCLMNF-NSHDSACASA-N 323.377 4.854 30 20 DJED N#Cc1sc(N[C@H]2C[C@H](c3ccccc3Cl)C2)nc1Cl 814956259 PJTFKUMCNNBTQR-KYZUINATSA-N 324.236 4.680 30 20 DJED CCCCCCCCCC(=O)N1CC2(CCOCC2)[C@H]1C1CC1 818781716 KTLQHBDQFWHQLE-LJQANCHMSA-N 321.505 4.545 30 20 DJED CSc1ccc(CCCC(=O)OCC(C)(C)CCC#N)cc1 842785365 LNKWUQLSNHVDFN-UHFFFAOYSA-N 319.470 4.604 30 20 DJED CC[C@@H](OC(=O)CC1(C#N)CCCCC1)c1ccnc(Cl)c1 851019258 ATMOARFPCURZLF-CQSZACIVSA-N 320.820 4.593 30 20 DJED CC[C@H](c1ccccc1)N(CC)C(=O)/C=C/c1ccccc1C#N 914507136 FSFKTPZUBIXTNP-DAMWEWLOSA-N 318.420 4.571 30 20 DJED O=C(/C=C\c1ccc2ncccc2c1)c1nc2ccccc2s1 917613656 LORUSCMVDWHGLF-NTMALXAHSA-N 316.385 4.741 30 20 DJED CCCCN(C(=O)c1ccc(C)c(C#N)c1)[C@H]1CCC[C@@H](C)C1 1129306363 YQMZSLXXUJAPGC-BEFAXECRSA-N 312.457 4.688 30 20 DJED CC1(C)CCCC[C@H]1C(=O)N(c1cccc(C#N)c1)C1CCC1 1130955212 DHWPAYFKCUQZLA-SFHVURJKSA-N 310.441 4.660 30 20 DJED Cc1cc(SC2CC(OCc3ccccc3)C2)ccc1C#N 1189583990 SOJXUHPFFGPUHL-UHFFFAOYSA-N 309.434 4.707 30 20 DJED CCC[C@H](Cc1ccccc1)N[C@H]1CCCc2cc(C#N)ccc21 1308825324 LZMPJPCWJRLAAF-IRLDBZIGSA-N 318.464 4.937 30 20 DJED CC[C@H](Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(C)cc1 1341640990 WLRWAQQSCPYOIV-MRXNPFEDSA-N 317.392 4.653 30 20 DJED N#C[C@]1(C(=O)Nc2ccc(-c3ccccc3)cc2)CC12CCCC2 1350805852 QPMWRTGVIRIPBG-NRFANRHFSA-N 316.404 4.766 30 20 DJED Cc1nc(N[C@@H](C)Cc2ccccc2Cl)c(Cl)cc1C#N 1458115732 ZMGMCOATAPQYMD-JTQLQIEISA-N 320.223 4.612 30 20 DJED CC(C)c1nc2ccc(Nc3c(C#N)cccc3C#N)cc2s1 1458140147 AVPHELPTGLWPFG-UHFFFAOYSA-N 318.405 4.907 30 20 DJED CC(C)CC[C@H]1CCCCN1C(=O)Nc1ccc(C#N)c(F)c1 1466773408 YXDQRJHDEULJKV-MRXNPFEDSA-N 317.408 4.520 30 20 DJED N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCSc1ccccc1 1473180763 PFDOMFQHXHXZFZ-VQTJNVASSA-N 322.477 4.550 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N[C@H](c1ccccc1)C(C)(C)C 1476232706 QWOJKIQAVLIKTH-GOSISDBHSA-N 321.424 4.776 30 20 DJED CCC[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C 1523656160 OFZMXIRTODJSEF-CYBMUJFWSA-N 318.486 4.899 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)Nc1cccc(C#N)c1C 1534738346 NPQIVHXIOKQFAO-WMLDXEAASA-N 318.420 4.795 30 20 DJED C[C@@H]1CC[C@H](OC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 1535810325 NJXRFJRXIQQTFN-KUHUBIRLSA-N 321.376 4.696 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H]2CCC[C@H](C)C2)n1 1559352172 CAHKACPPZIZLIC-ONGXEEELSA-N 314.376 4.951 30 20 DJED Cc1csc(NC(=O)Nc2ccc(C3CCC3)cc2)c1C#N 1562766684 MWAPDZHLZKMVRZ-UHFFFAOYSA-N 311.410 4.840 30 20 DJED Cc1csc(NC(=O)N(CC2CCCCC2)C2CC2)c1C#N 1562766898 UQALGYXXDZKPSJ-UHFFFAOYSA-N 317.458 4.505 30 20 DJED CCC[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 1629720027 RWXLMRRTCJEBHJ-GSEOLPGOSA-N 324.468 4.501 30 20 DJED C[C@]1(c2ccccc2)CCCN(CCC2(C#N)CCCCC2)C1 1641747725 VHIBNCBLNGHMJE-FQEVSTJZSA-N 310.485 4.904 30 20 DJED C=C(CNCc1cccc(Oc2ccccn2)c1)c1ccccc1 1661311213 XCKCSAWSHUOLBG-UHFFFAOYSA-N 316.404 4.677 30 20 DJED C[C@H](CNc1cccc(CC#N)c1)c1ccc(C(F)(F)F)cc1 1664752224 WKWZMHAQKMEBRJ-CYBMUJFWSA-N 318.342 4.987 30 20 DJED Cc1csc(NC(=O)N[C@H]2CCC[C@H]2CCC(C)C)c1C#N 1677351622 ROAHNKHOEDVLLE-ZFWWWQNUSA-N 319.474 4.655 30 20 DJED C=CCCCCCCCCNc1c(C(=O)O)cccc1[N+](=O)[O-] 1776207966 PZLFTRLRZFDMMY-UHFFFAOYSA-N 320.389 4.622 30 20 DJED C[C@H](Nc1cccc(CC(F)(F)F)c1)c1ccc(C#N)cc1 179974589 GTPXQXCWSKOPFP-LBPRGKRZSA-N 304.315 4.836 30 20 DJED CSc1cccc(C)c1NC(=O)N(CCC#N)CCC(C)C 184982808 KUBIASABYJEDEJ-UHFFFAOYSA-N 319.474 4.511 30 20 DJED C=C(C)[C@H](N[C@@H](C)c1cnc(C)s1)c1ccc(F)c(F)c1 186451603 RSSLXOIBZDYPBJ-QFYYESIMSA-N 308.397 4.698 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@@H](c2ccccc2)c2ccc(F)cc2)C1 248901994 UNZVAPIYLSENRP-XPGWFJOJSA-N 308.400 4.587 30 20 DJED CSc1ccc2c(c1)CC/C(=C/c1cc(C#N)cs1)C2=O 255167157 PZTVJGHHEAEHER-JYRVWZFOSA-N 311.431 4.554 30 20 DJED Cc1ccccc1C(=O)/C=C\c1cccc(OCCCC#N)c1 255263206 WDTXCTPAZNLCOV-QXMHVHEDSA-N 305.377 4.574 30 20 DJED COc1ccccc1-c1ccc(C(=O)/C=C\c2cccnc2)cc1 255318273 NURLIGIRWYPZQF-JYRVWZFOSA-N 315.372 4.653 30 20 DJED COc1ccc(C(=O)/C=C/c2csc3ccccc23)c(F)c1 302999595 XZQFLXLGCGBJIL-RMKNXTFCSA-N 312.365 4.945 30 20 DJED CC(C)(C)C1CCC(C/C(O)=N/CCc2csc(O)n2)CC1 329260902 ARNDBNZYKWYEIF-UHFFFAOYSA-N 324.490 4.590 30 20 DJED Cc1cccc(CSc2ccc(C#N)c(C(F)(F)F)c2)n1 359769861 FNSHRIZCJSCNET-UHFFFAOYSA-N 308.328 4.573 30 20 DJED C=CC[C@H](CC)NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 410118622 PNJLMMDTLCRJON-JQWIXIFHSA-N 300.229 4.568 30 20 DJED C=CCC1(C(=O)Nc2cc3c(cc2Cl)CCC3=O)CCCC1 410768777 RPSSYUTVWYXVSG-UHFFFAOYSA-N 317.816 4.544 30 20 DJED C/C(=C/c1cnc(C(C)C)s1)c1nc2ccccc2n1CC#N 414069137 IXKUPGXKLUTMIO-RAXLEYEMSA-N 322.437 4.700 30 20 DJED CC(C)c1nc(CSCc2cccc(F)c2C#N)cs1 427820758 OOIYLXOBTDBYQY-UHFFFAOYSA-N 306.431 4.711 30 20 DJED C=CCC[C@@H](NC(=O)N(C)[C@@H](C)C1(C)CC1)c1ccccc1 435765085 UPVFKTRXNMDTGR-DOTOQJQBSA-N 300.446 4.524 30 20 DJED CCc1c(C)sc(NC(=O)CCCC2CCCC2)c1C#N 443907903 NJELLYHKRZDEGB-UHFFFAOYSA-N 304.459 4.790 30 20 DJED N#C[C@@H]1CC[C@H](Sc2nnc(-c3ccc4ccccc4c3)o2)C1 450810683 MXCVDJABCWMLMU-WBMJQRKESA-N 321.405 4.674 30 20 DJED C=CC(C)(C)c1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)no1 453183871 OZCVNJQLFRAUJL-NSHDSACASA-N 314.282 4.611 30 20 DJED Cc1ccc([C@H]2CCCN2c2c(Cl)cccc2C#N)s1 462839616 NUXOADHGLKHNHR-CQSZACIVSA-N 302.830 4.923 30 20 DJED N#C[C@H]1CCC[C@@H](Nc2ccc(SCc3ccccc3)cn2)C1 463238835 TYVOFJVQRBRGAP-DLBZAZTESA-N 323.465 4.868 30 20 DJED C=CCCC(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 470184372 GQAQRVOJWRAMBN-OAHLLOKOSA-N 311.347 4.725 30 20 DJED C=CCCCC[C@@H](C)N[C@@H](C)c1ccc(Br)cn1 479391003 MDJJTWBQZMUPMT-OLZOCXBDSA-N 311.267 4.630 30 20 DJED C=C(C)[C@H](NC(=O)Nc1ccccc1F)c1ccc(F)c(F)c1 479703497 JFICTODUOGGMFJ-INIZCTEOSA-N 320.314 4.543 30 20 DJED C=CC[C@@H](C)N[C@H](c1ccc(Br)cc1)c1ccco1 498795298 OETJGYXSRAJKTA-MLGOLLRUSA-N 320.230 4.686 30 20 DJED C[C@H](N[C@H]1CCC[C@@H]1c1ccccc1)c1ccc(C#N)cc1F 512655317 SXGWEOVZNWHXTB-QMIHWGKISA-N 308.400 4.684 30 20 DJED C=CCC[C@@H](NCc1ccccc1OC(F)F)c1ccco1 514106152 WEJWXYVDABXAEB-CQSZACIVSA-N 307.340 4.678 30 20 DJED Cc1csc(NC(=O)CCc2ccc3ccccc3c2)c1C#N 514689792 KCHCUYZOGCYVGK-UHFFFAOYSA-N 320.417 4.653 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CC=C(c2ccc(F)cc2)CC1 522833365 ZGMKUOCTPAEMEF-OAHLLOKOSA-N 306.384 4.548 30 20 DJED CC(C)c1ccc(C(=O)Nc2cc(C#N)ccc2NC2CC2)cc1 552585309 AAYSIMCQUOXHOJ-UHFFFAOYSA-N 319.408 4.508 30 20 DJED N#Cc1ccc(CN2CC[C@@H](C(F)(F)F)c3ccccc32)cc1 556909608 IGRQCNKHNGURMO-MRXNPFEDSA-N 316.326 4.614 30 20 DJED CC1(C)CCN(C(=O)c2cc(C#N)ccc2Cl)c2ccccc21 564234507 DHELKVINUYGLSB-UHFFFAOYSA-N 324.811 4.540 30 20 DJED N#CCC[C@H](C#N)CN[C@H](c1ccc(Cl)cc1)C1CCCC1 573794338 GRSLHVUXPZRYRO-KDOFPFPSSA-N 315.848 4.604 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCc2ccc(F)cc21 577006100 JXZQWHPZJGNBNC-LEWJYISDSA-N 320.411 4.742 30 20 DJED C=C(C)COc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2C)c1 589739260 LZXFMKZIGLNLHU-YJBOKZPZSA-N 316.445 4.684 30 20 DJED C[C@H](SCc1ccc(C#N)cc1F)c1c(F)cccc1F 604068998 UIFAPIMVBUAPTE-JTQLQIEISA-N 307.340 4.970 30 20 DJED N#Cc1c(CN2CCCCC[C@@H]2c2ccco2)cn2ccccc12 609916135 DBWLGDAMFXCVKY-LJQANCHMSA-N 319.408 4.521 30 20 DJED N#CCN(Cc1ccccc1Oc1ccccc1)C1CCCC1 610012909 NREJPYDCOHKVPB-UHFFFAOYSA-N 306.409 4.747 30 20 DJED C[C@@H]1C[C@H](CC(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)CC(C)(C)C1 727624667 AYZNUMQQKHUVBW-RBSFLKMASA-N 323.440 4.592 30 20 DJED Cc1cccc2nc([C@@H](C#N)C(=O)C[C@H](C)CC(C)(C)C)[nH]c12 735793338 SOAIKHSZONDBDK-JSGCOSHPSA-N 311.429 4.510 30 20 DJED CC(=NNc1cc(C)c2ccc(C)c(C)c2n1)c1cncc(F)c1 737427986 SVNNEPXUFRWERU-UHFFFAOYSA-N 322.387 4.530 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(Cl)s2)cc1Cl 741469121 NMSLFZBADOCJJW-DUXPYHPUSA-N 313.205 4.960 30 20 DJED N#Cc1csc(C=NN(c2ccccc2)c2ccccc2)c1 748075567 VBQSLTXUKNKLHX-UHFFFAOYSA-N 303.390 4.792 30 20 DJED O=C1/C(=C/c2ccc(Cl)nc2)CCc2c(Cl)cccc21 758037946 BBRUXBNLLHRYCC-DHZHZOJOSA-N 304.176 4.601 30 20 DJED CC(C)(CC#N)COC(=O)C(C)(C)c1ccc2ccccc2c1 764825318 RCHHFTFUJWEMCI-UHFFFAOYSA-N 309.409 4.600 30 20 DJED COc1cc(C)c(C(=O)/C=C\c2cc(Cl)cs2)cc1OC 782324644 GFZFMKRVNCCRIR-PLNGDYQASA-N 322.813 4.623 30 20 DJED CSc1ccc(/C=C\C(=O)c2ccc(C#N)cc2Cl)cc1 788360127 HBQAETVSTOTZTM-UITAMQMPSA-N 313.809 4.830 30 20 DJED C=CCCCCCC(C)=NNc1nnc(-c2ccccn2)s1 789051900 YVRYDWNNVZXPKO-UHFFFAOYSA-N 315.446 4.524 30 20 DJED C/C(C=NNc1ccccn1)=C\c1ccccc1C(F)(F)F 799869103 IUAMDJSRSDELPA-KLUOYSBSSA-N 305.303 4.602 30 20 DJED CC(CCc1ccc(C(F)(F)F)cc1)=NO[C@H]1CCCCO1 800814928 FCXHNMFCPDBYQQ-HNNXBMFYSA-N 315.335 4.557 30 20 DJED Cc1nn(C)c2sc(C(=O)/C=C\c3cscc3Cl)cc12 806577079 QBMDSSMHYYWHIK-ARJAWSKDSA-N 322.842 4.554 30 20 DJED CC(C)(C#N)[C@H]1CCCC1=NNc1cccc(Br)c1 814786404 IFVSSSVLTQJLEO-ZDUSSCGKSA-N 320.234 4.567 30 20 DJED CCCCCCCCC(=O)Nc1cccc(N=S(C)(C)=O)c1 848216584 FNBMIVGEAALCHQ-UHFFFAOYSA-N 324.490 4.735 30 20 DJED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CC2CCCC2)cc1 915085364 AVQXYQUXLDNAQQ-HXUWFJFHSA-N 318.420 4.861 30 20 DJED Oc1ccc(Cl)cc1C=Nc1ccc(N2CCCC2)c(F)c1 917557583 RXQULUUJASZHFV-UHFFFAOYSA-N 318.779 4.536 30 20 DJED CC(C)(C)[C@@H](NC(=O)CCCCCC#N)c1cccc(F)c1 1117539184 OLIMGPAFRCKRPZ-KRWDZBQOSA-N 304.409 4.503 30 20 DJED CC[C@@H](Nc1snc(Cl)c1C#N)c1cc(C)ccc1C 1163920644 KDGZMWZYJOHRPG-CYBMUJFWSA-N 305.834 4.848 30 20 DJED C[C@H](CCNc1ncc(C#N)cc1Br)CC(C)(C)C 1186121086 KJLOERPSWBDATE-LLVKDONJSA-N 324.266 4.590 30 20 DJED N#CC[C@@H]1CCCN(CCCc2c(Cl)cccc2Cl)C1 1206646181 PQJCQFXJQGMXLN-ZDUSSCGKSA-N 311.256 4.552 30 20 DJED C[C@@H](CNC(=O)Nc1scc(C(C)(C)C)c1C#N)C(C)(C)C 1218514343 QIHIOXFCHFKZFW-NSHDSACASA-N 321.490 4.721 30 20 DJED CC(C)c1ccc(/C=C/CC(=O)Nc2cc(F)cc(C#N)c2)cc1 1287804059 SSEJHZBUUDEJPC-ONEGZZNKSA-N 322.383 4.863 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)c1nc2ccc(F)cc2s1 1307147679 UVZRVJFIGXQAOO-LLVKDONJSA-N 311.385 4.504 30 20 DJED CC(C)N(Cc1ccc(F)cc1C#N)[C@@H](C)c1ccsc1 1307855383 SOFHERRKQXUUJO-ZDUSSCGKSA-N 302.418 4.730 30 20 DJED CCCc1ccc(C[S@@](=O)CCCCC(C)(C)C#N)cc1 1320806551 LPFCHXNCFWBRSZ-NRFANRHFSA-N 305.487 4.608 30 20 DJED C=CC[C@@H](CC)NC(=O)c1nc(-c2ccccc2)oc1C(C)C 1322591259 ZZGPREXZZABYIN-OAHLLOKOSA-N 312.413 4.550 30 20 DJED N#Cc1cccc(-c2nnc([C@@H]3CCC[C@@H]3c3ccccc3)o2)c1 1329224171 YIMRDTFGDMMKAW-QZTJIDSGSA-N 315.376 4.660 30 20 DJED CCC[C@@H](CC)C(=O)Nc1ccccc1S[C@@H](C)CC#N 1435129783 CPQCPOHTHWFQPB-UONOGXRCSA-N 304.459 4.846 30 20 DJED N#CCc1ccc(CN[C@H]2CCCC[C@H]2Cc2ccccc2)cc1 1459991361 YHYWWXCBFJPJNA-VXKWHMMOSA-N 318.464 4.644 30 20 DJED N#Cc1cccc(C#N)c1N1CC2(CCCC2)c2c(F)cccc21 1472680796 RBMNRDNSMPXIDJ-UHFFFAOYSA-N 317.367 4.533 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1cc(-c2ccccc2)no1 1473047212 MLDAQNPFXLYXJT-UHFFFAOYSA-N 324.767 4.754 30 20 DJED N#Cc1ccc(CCN2CC3(CCCC3)c3c(F)cccc32)cc1 1473269444 BNTRGEKHZQFSQB-UHFFFAOYSA-N 320.411 4.572 30 20 DJED CC[C@@H](C)Oc1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)cc1 1516881896 BSMKEGQFCYLGLC-CABCVRRESA-N 323.392 4.654 30 20 DJED CCN(C(=O)C[C@@H]1CCCC[C@@H]1C)c1ccc(C#N)c(Cl)c1 1535606027 VDPXHOUBIBBUGW-KBPBESRZSA-N 318.848 4.781 30 20 DJED N#Cc1ccc(N[C@@H](c2cccc(Cl)c2)C2CCCC2)nc1 1559144743 XOPLHYJPWRYSPF-GOSISDBHSA-N 311.816 4.950 30 20 DJED COc1cccc(CN(CC(C)C)c2ccc(C#N)cc2)c1C 1559621036 KMEKZQLFRQIJTG-UHFFFAOYSA-N 308.425 4.538 30 20 DJED N#C[C@H]1CCC[C@@H](NCc2cccc(Oc3ccccc3F)c2)C1 1560914393 JALVXDNDBWTOIA-DOTOQJQBSA-N 324.399 4.790 30 20 DJED C[C@@H](CN(C)C(=O)c1ccc(Cl)c(C#N)c1)C1CCCCC1 1596471174 BOJPGGNNLJJSAY-ZDUSSCGKSA-N 318.848 4.500 30 20 DJED CC1(C)CCN(Cc2ccc(C#N)cc2Cl)CC(C)(C)C1 1647626030 UJDDTKYIEBTNFE-UHFFFAOYSA-N 304.865 4.860 30 20 DJED N#CCC1(CN[C@@H](c2ccc(F)cc2)C2CCCCC2)CC1 1654514973 CLHLEZFGONVQOJ-GOSISDBHSA-N 300.421 4.731 30 20 DJED CCc1ccc(CN(Cc2cccc(C#N)c2F)CC(C)C)cc1 1654828314 SEXZCDDLBVPBTD-UHFFFAOYSA-N 324.443 4.918 30 20 DJED CCc1nc(C#N)cc(Sc2cc(C(C)(C)C)ccc2C)n1 1654875111 XIZJEVKPRSRHLV-UHFFFAOYSA-N 311.454 4.668 30 20 DJED C=C(CNCc1c(Cl)cccc1OC(F)F)c1ccccc1 1657110802 ARZNHKABHAMWFO-UHFFFAOYSA-N 323.770 4.744 30 20 DJED CCOc1ccc(C#N)cc1NC1CC(c2ccc(C)cc2)C1 1657714449 ZWIIBEAKUSEPMT-UHFFFAOYSA-N 306.409 4.624 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 1658351421 OZENGBMGUGNDNA-HUHSQHJXSA-N 302.849 4.648 30 20 DJED CC(C)C1CCC(CNc2ccc(F)cc2OCC#N)CC1 1659390828 VUKORGXVPCLJOA-UHFFFAOYSA-N 304.409 4.602 30 20 DJED CC(C)(C)C1CCC(C=NNc2ccc(CC(=O)O)cc2)CC1 1776084910 XARDCDWBRAWSFI-UHFFFAOYSA-N 316.445 4.564 30 20 DJED C[C@H]1CC(=Nn2c3ccccc3c3ccccc32)CC[C@H]1C(=O)O 1776112943 QNDGBEZCOXRMSR-DZGCQCFKSA-N 320.392 4.519 30 20 DJED N#Cc1ccccc1CNc1ccccc1Oc1ccccc1 24235618 ISTOXTLROWVXFL-UHFFFAOYSA-N 300.361 4.963 30 20 DJED N#Cc1ccc(N[C@@H]2CCSc3c(F)cccc32)cc1Cl 37253419 AAILZHVFZCFOPP-OAHLLOKOSA-N 318.804 5.000 30 20 DJED CCN(C(=O)c1sccc1C#N)[C@@H](C)c1cc2ccccc2o1 52032642 WNBBSLKYZYRSIG-LBPRGKRZSA-N 324.405 4.589 30 20 DJED C=CCn1c(S[C@H]2CCCc3ccccc32)nnc1C1CC1 58986458 LNNTZYUJDXGVRO-INIZCTEOSA-N 311.454 4.511 30 20 DJED Cc1ccc(CN(Cc2ccco2)CC(C)(C)CCC#N)s1 92536864 ZBVWNCKQUXMUOV-UHFFFAOYSA-N 316.470 4.982 30 20 DJED CC(C)(CCC#N)CN[C@H]1CCSc2ccc(Cl)cc21 229683730 XLKBYICHSCLLNM-AWEZNQCLSA-N 308.878 4.796 30 20 DJED CC(C)c1ccc(-c2nnc(S[C@H]3CC[C@H](C#N)C3)o2)cc1 296100276 UOBWSNUGPZITHB-WFASDCNBSA-N 313.426 4.644 30 20 DJED N#CCC[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 301812615 YNKNYHJHZDLJNP-AWEZNQCLSA-N 315.760 4.705 30 20 DJED Cc1cc(N=C(O)c2coc(C3CCCC3)n2)c2ncccc2c1 328827426 TVJRSBOMJZGNNU-UHFFFAOYSA-N 321.380 4.825 30 20 DJED Cc1nc(CC/N=C(/O)C[C@@H]2C[C@H](C)CC(C)(C)C2)c(C)o1 329017062 KOPFODXYWWCMCX-WFASDCNBSA-N 306.450 4.643 30 20 DJED N#CCC[C@H](NC(=O)c1cccc2ccsc12)c1ccccc1 341524958 CNCIXCYNNDYQIV-KRWDZBQOSA-N 320.417 4.676 30 20 DJED N#CCCCN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 361843255 PGRGIXPVGDTITQ-GFCCVEGCSA-N 324.268 4.592 30 20 DJED CO[C@H](C)c1nc(CSCCC2(C#N)CCCCC2)cs1 419413343 FGMBDZFOSHRZKW-CYBMUJFWSA-N 324.515 4.948 30 20 DJED N#Cc1c(F)cccc1Oc1ccc(Oc2ccccc2)nc1 428660920 FMXUJHWOULKTRM-UHFFFAOYSA-N 306.296 4.677 30 20 DJED N#CCC1(CN[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 430736444 DNCKLMYQYWJEHV-HZPDHXFCSA-N 322.374 4.625 30 20 DJED Cc1ccc(C)c([C@H](NCC2(CC#N)CC2)c2ccccc2)c1 430751008 RKXJXNPUNYZIHJ-HXUWFJFHSA-N 304.437 4.676 30 20 DJED C=CCC[C@@H](NC(=O)N1CCC[C@H]1C(C)C)c1ccccc1 435093771 GPMUNXFMSVXCMW-MSOLQXFVSA-N 300.446 4.524 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(Cl)c(F)c1 442898284 NYZSIZZVIVNBTM-LBPRGKRZSA-N 302.780 4.544 30 20 DJED N#CCc1ccc(NC(=O)C[C@@H]2C[C@H]2c2ccccc2)c(Cl)c1 452648472 INNCJZNEGWQPKZ-HOTGVXAUSA-N 324.811 4.538 30 20 DJED C=CC[C@H]1N(C(=O)CCc2c[nH]c3ccccc23)CCCC1(C)C 470299414 UJSHGYVPFYSGCV-LJQANCHMSA-N 324.468 4.694 30 20 DJED C=CCCCCNC(=O)Nc1cccc(COC(C)(C)C)c1C 473712300 ULAZZNPBHIPGOY-UHFFFAOYSA-N 318.461 4.788 30 20 DJED CSc1ccc(Cl)cc1NCc1cc(C#N)ccc1F 486144863 NAJHCGDPNHCCNC-UHFFFAOYSA-N 306.793 4.685 30 20 DJED C=CCSc1ccccc1C(=O)Nc1cc(Cl)ccc1O 486488617 DGVWETOFOVOQSN-UHFFFAOYSA-N 319.813 4.576 30 20 DJED C[C@@H](SCCOc1ccccc1C#N)c1ccc(F)c(F)c1 498109544 BIECLXHTIKBMOZ-GFCCVEGCSA-N 319.376 4.710 30 20 DJED N#Cc1ccsc1C(=O)N(Cc1ccsc1)c1ccccc1 505336397 BIRMWWLTTZEDIB-UHFFFAOYSA-N 324.430 4.528 30 20 DJED N#Cc1cc(F)ccc1CSCc1ccc2ccccc2n1 522969880 IGGHDLKNIIBKTO-UHFFFAOYSA-N 308.381 4.679 30 20 DJED C=C(C)CN(Cc1ccc2cc[nH]c2c1)Cc1cnn(C(C)C)c1 529564505 DGTBXHBNQGDMFP-UHFFFAOYSA-N 322.456 4.524 30 20 DJED C=CCCCC(=O)Nc1ccc(SCc2ccccc2)cn1 533600869 JWJVTHSKWDATEI-UHFFFAOYSA-N 312.438 4.669 30 20 DJED C=C[C@H](CC(=O)N[C@H]1CCC[C@H]1c1ccccc1)c1ccccc1 534677704 OAYMEZUICZYTPT-QMMLZNLJSA-N 319.448 4.799 30 20 DJED C=CCC[C@H](Nc1ccc2c(c1)CCC(=O)N2CCC)C1CC1 538625793 KDVWRHYXVXDYKA-SFHVURJKSA-N 312.457 4.533 30 20 DJED C=CCCOCCCCC(=O)N1CCCCC[C@H]1CC(C)C 539403310 PGPMALFTMSBCCD-SFHVURJKSA-N 309.494 4.567 30 20 DJED C=CC[C@@H](C(=O)Nc1cncc2ccccc12)c1ccccc1 547959171 ZIBXKNJDVXWUKD-GOSISDBHSA-N 302.377 4.533 30 20 DJED C=CCC(C)(C)CN[C@@H](C)CC(=O)Nc1cc(Cl)ccc1C 551241922 XJPSRHFWYJNFGE-AWEZNQCLSA-N 322.880 4.557 30 20 DJED C[C@H](NC1(Cc2ccccc2)CCC1)c1ccc(C#N)c(F)c1 558086530 DRZFPAZHKBGBJV-HNNXBMFYSA-N 308.400 4.513 30 20 DJED Cc1cccc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c1C 561132062 PFNYJIJTQVCULF-KKSFZXQISA-N 304.437 4.903 30 20 DJED CC(C)(C#N)CCSCc1cc(Br)ccc1F 563651867 PYAYLYMDQXQFBQ-UHFFFAOYSA-N 316.239 4.761 30 20 DJED C=CCN(CC1CCCCC1)C(=O)[C@@H](C)c1ccc(F)c(F)c1 607827590 IDOXHCWSZULXJN-AWEZNQCLSA-N 321.411 4.663 30 20 DJED Cc1cccc(C2(C(=O)Nc3ccc(CC#N)cc3)CCCC2)c1 608846861 ZZWHGTDSMOVYLT-UHFFFAOYSA-N 318.420 4.512 30 20 DJED CCC[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccccn1 619508338 XQWGRWWTPASEBQ-TZIWHRDSSA-N 319.452 4.852 30 20 DJED N#Cc1ccc(Oc2ccc(Nc3ncccn3)cc2Cl)cc1 731495835 LHRSFSNVIAZVGT-UHFFFAOYSA-N 322.755 4.538 30 20 DJED COc1cccc(/C=C2\CCc3cc(SC)ccc3C2=O)c1 748148128 QPUNJAUBZSMMDP-XNTDXEJSSA-N 310.418 4.630 30 20 DJED N#Cc1ccc(/C=C2\CSc3c(Cl)cccc3C2=O)s1 749005904 NOOUPLGKGPLQBI-RMKNXTFCSA-N 317.822 4.645 30 20 DJED CC[C@H](C)Oc1cc(/C=C\C(=O)c2ccc(C)o2)ccc1OC 749453323 PZWLQWNVHFQDAR-JWJUJFCLSA-N 314.381 4.670 30 20 DJED CC(C)Oc1cccc(CNc2nc3ccccc3cc2C#N)c1 750019306 ZRMKQBZMHWGQIF-UHFFFAOYSA-N 317.392 4.506 30 20 DJED C#CC[C@H](NC(=S)Nc1cccc(C(C)C)c1)c1ccccc1 756858448 TZKGOZQTYDLFSU-IBGZPJMESA-N 322.477 4.861 30 20 DJED CCc1cnccc1C(=O)/C=C\c1nc(-c2ccccc2)cs1 766780210 VVUOFVFKQYRKSE-HJWRWDBZSA-N 320.417 4.664 30 20 DJED CSc1ccc(/C=C2/CSc3c(F)cccc3C2=O)cc1 767905353 LWYGHQFJCKCLFF-XFXZXTDPSA-N 316.422 4.920 30 20 DJED C[C@@H](NCC1CCCCCCC1)c1ccc(OCC#N)cc1 776157905 RIYYWHXXFPXZEY-MRXNPFEDSA-N 300.446 4.600 30 20 DJED Cc1cc(/C=C2/Cc3cc(F)ccc3C2=O)cc2cccnc12 783707100 MLROQVIWGNKZEX-SXGWCWSVSA-N 303.336 4.505 30 20 DJED C/C=C(\CC)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 789349404 XMWRAKBASGCKQZ-IEWBSGLLSA-N 310.422 4.651 30 20 DJED Cc1nn(C(C)C)cc1/C=C1/COc2ccc(C(C)C)cc2C1=O 798370797 YAVDZOJQEOYOMZ-IUXPMGMMSA-N 324.424 4.555 30 20 DJED CC(C)(C#N)[C@H]1CCCC1=NNc1cccc(C(F)(F)F)c1 814689926 MFTAWTDSEHMQSN-ZDUSSCGKSA-N 309.335 4.823 30 20 DJED CC(C)(C#N)[C@H]1CCCC1=NOCc1ccc(C(F)(F)F)cc1 814882165 IAPWTWXCEUDGFE-AWEZNQCLSA-N 324.346 4.928 30 20 DJED CC(CCCCC#N)=NNc1cc(C(F)(F)F)ccc1F 841631743 GIRYBMBSQVFLBL-UHFFFAOYSA-N 301.287 4.716 30 20 DJED C=C[C@@H](Cc1nc(CCCc2ccccc2)no1)c1ccccc1 904457532 IROAXISRFCOIEU-SFHVURJKSA-N 318.420 4.757 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccccc2OC(F)F)cc1C 916137510 BFXMMBQBPZWNAJ-KTKRTIGZSA-N 302.320 4.801 30 20 DJED CC(=NNc1cc(C)ccc1C)c1ccccc1OC(F)F 916345991 RXGUHJHNMCNVST-UHFFFAOYSA-N 304.340 4.741 30 20 DJED C[C@@H](CC(C)(C)C#N)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 925672903 KCRGZOAPXBRDSW-FZMZJTMJSA-N 316.342 4.737 30 20 DJED CCCC[C@H](NCc1cccc(OCC#N)c1)c1ccccc1 1116459473 GPPWTLCLZLZTOM-FQEVSTJZSA-N 308.425 4.610 30 20 DJED C=C(CNc1ncnc2c1oc1ccccc12)c1ccccc1 1163436782 GOULSHSJCIOZFW-UHFFFAOYSA-N 301.349 4.501 30 20 DJED N#Cc1ccc(C2CCN(Cc3cscc3Cl)CC2)cc1 1184046984 YSYYJYZHVKTFQK-UHFFFAOYSA-N 316.857 4.653 30 20 DJED Cc1cccc([C@H]2CCCN2c2nc(C(C)(C)C)ccc2C#N)c1 1184982733 MLRYQTKNDRKYCY-GOSISDBHSA-N 319.452 4.901 30 20 DJED N#Cc1ccc(CCN2CCCCc3c(Cl)cccc32)cc1 1193189179 XIOLFFJAAWQDPN-UHFFFAOYSA-N 310.828 4.597 30 20 DJED CCC(C)(C)C1CCC(NC(=O)c2ccc(C)c(C#N)c2)CC1 1264365612 BXUIQOWCZNJMDB-UHFFFAOYSA-N 312.457 4.592 30 20 DJED Cc1ccccc1-n1ccnc1S[C@H](C)c1ccc(C#N)cc1 1307274146 UGIMGMJRSXNHOG-OAHLLOKOSA-N 319.433 4.906 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)C1[C@H]2CCCCCC[C@H]12 1354424055 RYSOCPQXVDRCJP-OALUTQOASA-N 324.468 4.513 30 20 DJED N#Cc1cc(C(=O)N[C@H](c2ccccc2)C2CCCCC2)cs1 1356413893 QVUYWAOUIIZGPR-GOSISDBHSA-N 324.449 4.671 30 20 DJED Cc1nc(C#N)cc(N[C@H](c2ccc(CC(C)C)cc2)C(C)C)n1 1458067800 IKRYFEWMAWPVEW-FQEVSTJZSA-N 322.456 4.664 30 20 DJED COc1ccccc1N(Cc1ccccc1C(C)(C)C#N)C(C)C 1460191502 YFGMKYLNJJATJT-UHFFFAOYSA-N 322.452 4.911 30 20 DJED Cc1ccccc1[C@@H](C)C(=O)Nc1cc2ccccc2cc1C#N 1460861013 TZYNNTMFGOYNQW-OAHLLOKOSA-N 314.388 4.762 30 20 DJED C[C@@H](Cc1coc2ccccc12)Nc1ccc(F)cc1OCC#N 1474429510 LMMHCRGACNCNJK-ZDUSSCGKSA-N 324.355 4.517 30 20 DJED Cc1sc(NC(=O)C2(C#N)CCCC2)nc1C1CCCCC1 1522078702 NDCPROPLCMJNQX-UHFFFAOYSA-N 317.458 4.522 30 20 DJED CC(C)(C#N)CC(=O)N1c2ccccc2CC[C@H]1c1ccccc1 1537518238 BKYMPJJAAZPVGP-IBGZPJMESA-N 318.420 4.647 30 20 DJED CC(C)(C#N)CCCN1CCC[C@@]2(CCCc3ccccc32)C1 1641955779 JOIAVGMSDNIVIF-NRFANRHFSA-N 310.485 4.686 30 20 DJED Cc1ccnc(N2CCCCC[C@H]2/C=C/c2ccccc2)c1C#N 1655357022 NGVVRPCMXCXTRE-CVTTXWKISA-N 317.436 4.724 30 20 DJED Cc1ccc([C@H]2CCC[C@@H]2N(C)Cc2cccc(F)c2C#N)cc1 1658827028 DAWDDUAFDSZYLT-NQIIRXRSSA-N 322.427 4.774 30 20 DJED CCC1CCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 1662084589 IRQYHNNIVKNQSL-UHFFFAOYSA-N 319.474 4.571 30 20 DJED CCc1cccc(C)c1NN=C(C)CCCCCCC(=O)O 1776056866 VEELSEKAODTDMT-UHFFFAOYSA-N 304.434 4.770 30 20 DJED N#Cc1ccccc1NC(=O)c1cc2c(s1)CCCCCC2 20501869 UASOHNSFTDAXMN-UHFFFAOYSA-N 310.422 4.531 30 20 DJED Cc1occc1CN(C)Cc1ccc(-c2ccccc2C#N)cc1 65603126 RIWHJWZHPHJQTN-UHFFFAOYSA-N 316.404 4.759 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)C1(C)CCCCC1 128050041 OIPOZCNAHTUVCR-AWEZNQCLSA-N 316.470 4.847 30 20 DJED N#CCCCOc1cccc(NCc2ccc(F)c(Cl)c2)c1 129005953 BPAQNSZEBOJGDC-UHFFFAOYSA-N 318.779 4.774 30 20 DJED CN(c1ccccc1NCc1cc(C#N)cs1)C1CCCC1 152521674 ILZTUINPKMAJLR-UHFFFAOYSA-N 311.454 4.611 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc(-c2cnco2)cc1)c1ccccc1 155724925 KSZZEVHWKCARLD-HNNXBMFYSA-N 318.376 4.640 30 20 DJED N#Cc1ccc(CN[C@H](Cc2ccccc2)c2ccccc2)s1 176942223 JOIYOYMPGPKNCB-HXUWFJFHSA-N 318.445 4.693 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccc(OC(C)C)cc1Cl 187244339 KLBNPOKINLBPBN-UHFFFAOYSA-N 310.825 4.557 30 20 DJED C=CCn1c(S[C@@H](C)c2ccccc2)nnc1-c1ccco1 253495107 ZVFHJGQJIZKMFT-ZDUSSCGKSA-N 311.410 4.577 30 20 DJED C=CCCCNc1ccc(Cl)cc1NC(=O)c1ccco1 303804017 HHABTGIAKBIRPA-UHFFFAOYSA-N 304.777 4.563 30 20 DJED Cc1cccc(NCc2ccc(Br)cc2C#N)c1C 311607962 IOUQEDLFWXAUGL-UHFFFAOYSA-N 315.214 4.550 30 20 DJED CC(=O)c1c(C)[nH]c(/C(O)=N/[C@@H](C)C2CCCC2)c1C(C)C 330394300 LLQNSYINEVVEJX-NSHDSACASA-N 304.434 4.532 30 20 DJED N#Cc1cccc(CN[C@@H](CC2CCC2)c2ccccc2)c1F 351105303 VJMNRRQAZXSZEN-IBGZPJMESA-N 308.400 4.718 30 20 DJED N#CCCCCN[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 362277533 DIFMTYHBZOFUST-JKSUJKDBSA-N 310.363 4.625 30 20 DJED N#C[C@H]1CC[C@@H](N[C@@H]2CCCc3c(Cl)sc(Cl)c32)C1 424328036 NSYPDHKTJVANMW-IQJOONFLSA-N 315.269 4.714 30 20 DJED Cc1cccc2nc(N[C@H](CCCC#N)c3ccccc3)sc12 431492675 DSQJMNCTYIDIKQ-MRXNPFEDSA-N 321.449 5.452 30 20 DJED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](c1cc2ccccc2o1)C(C)C 436302952 BBGTZGPVUIZTPK-VDGAXYAQSA-N 313.441 4.701 30 20 DJED Cc1c(COc2ccccc2)cccc1N[C@H]1CC[C@@H](C#N)C1 442880649 ZFKXGUKTIKEGKO-AEFFLSMTSA-N 306.409 4.678 30 20 DJED CC(C)CN(CCCCC(C)(C)C#N)Cc1ccc(C#N)cc1 444599558 AVPNSTDERJTEFY-UHFFFAOYSA-N 311.473 4.736 30 20 DJED C/C=C\c1ccc(Oc2nc(C)c(C#N)cc2Cl)c(OC)c1 461716057 CMNGIHASKHLTJY-PLNGDYQASA-N 314.772 4.749 30 20 DJED C=CCN(Cc1ccc(Cl)s1)Cc1cn(C(C)C)nc1C 467440127 ZDPNMYMVICZRQB-UHFFFAOYSA-N 323.893 4.676 30 20 DJED CC(C)c1cccc(N(C)C(=O)C[C@H](CC#N)c2ccccc2)c1 475169920 FPDDPKDVRHDWSM-IBGZPJMESA-N 320.436 4.860 30 20 DJED CC(C)(CCC#N)CN1CC=C(c2cccc(Cl)c2)CC1 475431772 BEUXXXBMLVNBIK-UHFFFAOYSA-N 302.849 4.759 30 20 DJED CC(C)(C)c1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)s1 477865364 SQIBQENQCUZZKX-LLVKDONJSA-N 324.405 4.677 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1ccc(F)c(CC)c1 486921132 VVQFIVQIORYEJW-UHFFFAOYSA-N 318.417 4.670 30 20 DJED N#Cc1cc(NC(=O)Cc2ccc3ccccc3c2)ccc1Cl 494966060 JBHKOXFFYRGKTC-UHFFFAOYSA-N 320.779 4.546 30 20 DJED CCN(Cc1cccc(OC(C)C)c1)[C@@H](C)c1ccc(C#N)cc1 497599900 NHSDXFLYUPBOJP-KRWDZBQOSA-N 322.452 4.929 30 20 DJED CCOc1cccc2cc([C@@H](C)Nc3nc(C)ccc3C#N)oc12 500251489 FVYNWGJATJRAFQ-CYBMUJFWSA-N 321.380 4.580 30 20 DJED C=CC[C@H](C)[C@H](C)Nc1ccc(NC(=O)CC(F)(F)F)cc1 511020885 WTKKLGYRMUEHJH-RYUDHWBXSA-N 314.351 4.590 30 20 DJED C=CC[C@H](C)NC(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 534635076 GOLPHZRTXQCHTL-YJBOKZPZSA-N 300.446 4.621 30 20 DJED CCc1ccc([C@H](C#N)NC(=O)CC[C@@H](C)c2ccccc2)cc1 568641581 NIXHIDTXPBTUFZ-UZLBHIALSA-N 320.436 4.514 30 20 DJED C[C@H](Sc1cccc(F)c1C#N)C(=O)c1cccc(Cl)c1 569065488 JELCGINKQAMJIV-JTQLQIEISA-N 319.788 4.714 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N(C)Cc1ccc(C(F)(F)F)cc1 604492799 SFOFJOCMZCVMIX-ZDUSSCGKSA-N 318.342 4.770 30 20 DJED CC(C)=CCSc1ccccc1C(=O)Nc1ccc(C#N)cc1 610151423 KEZSGFAUOLPASQ-UHFFFAOYSA-N 322.433 4.869 30 20 DJED CCC[C@@H](CC1CCCC1)C(=O)N[C@H](C)c1cccc(C#N)c1 610360763 FRSFHZJUWMRUOQ-BEFAXECRSA-N 312.457 4.732 30 20 DJED C[C@@H](N[C@H](C)c1ccc2ccccc2n1)c1cccc(C#N)c1 610830404 QJIBVHAERIEUMC-HUUCEWRRSA-N 301.393 4.518 30 20 DJED C[C@H](NCc1ccc(F)c(C(F)(F)F)c1)c1cccc(C#N)c1 611119199 NNZUIKLTCPMJBN-NSHDSACASA-N 322.305 4.567 30 20 DJED Cc1ccsc1C(=O)/C=C/c1csc(Br)c1 733749719 VLDSLEFXLDFVRJ-NSCUHMNNSA-N 313.241 4.777 30 20 DJED CCCCCCCC(=O)N1CCSC[C@@H]1c1ccccc1 734400162 ZTQBXSFMWLBNJJ-QGZVFWFLSA-N 305.487 4.664 30 20 DJED CC(=NNc1cccc(C(F)(F)F)n1)[C@H](C)c1ccccc1 746371763 FYSZUMNBBJFALZ-NSHDSACASA-N 307.319 4.692 30 20 DJED COc1cccc2cc(C(=O)/C=C\c3ccc(F)cc3C)oc12 750901299 DNMWSXXRPAMRRW-CLFYSBASSA-N 310.324 4.785 30 20 DJED C=CCN(C(=O)CCCc1csc2ccccc12)C(C)C 755195872 WJXFVNUHEYCXFE-UHFFFAOYSA-N 301.455 4.647 30 20 DJED COc1ccc2cc(C(=O)/C=C/c3ccccc3C#N)ccc2c1 755570029 BXUBSOMRUCNDLI-PKNBQFBNSA-N 313.356 4.616 30 20 DJED C=CC[C@@H](N[C@H](C)c1cnc2ccsc2c1)c1ccncc1 766018940 JSNQLKBFZVLBES-CZUORRHYSA-N 309.438 4.659 30 20 DJED CC(C)(CCC#N)CN1CCc2cc(-c3ccccc3)oc2C1 769563927 XXYDNPLLJUQESC-UHFFFAOYSA-N 308.425 4.635 30 20 DJED N#Cc1ccc(C(=O)OCc2ccc(C(F)F)cc2)cc1Cl 778543208 LISPFTSEXPUBCT-UHFFFAOYSA-N 321.710 4.506 30 20 DJED COc1ccc(Cl)cc1C(=O)/C=C\c1ccc2cnccc2c1 782324028 WTAZWZYHSJCNII-UTCJRWHESA-N 323.779 4.793 30 20 DJED CC(C)c1ccc(CCC(=O)OCCCC(C)(C)C#N)cc1 783041924 MYTCJKHHISWDAW-UHFFFAOYSA-N 301.430 4.616 30 20 DJED COc1cc(NN=Cc2ccccc2C2CC2)ccc1Cl 788468147 PNRXXUKAQABCHE-UHFFFAOYSA-N 300.789 4.672 30 20 DJED C=CCC1(C(=O)OCc2cnc(-c3ccccc3)s2)CCC1 791559042 UTJYDEVVPJIJBW-UHFFFAOYSA-N 313.422 4.600 30 20 DJED CC1(C)CCC[C@H](C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)C1 797567852 MTKOXNZCKIKBJN-STQMWFEESA-N 318.486 4.833 30 20 DJED CCCCCCCCC(=O)N1CCC(CC(F)(F)F)CC1 803673577 DYUABEKURJDFLI-UHFFFAOYSA-N 307.400 4.928 30 20 DJED CC1(C)C[C@H](Nc2nc(Cl)c(C#N)s2)c2ccccc21 804562141 VYEBZZDVPCISIU-NSHDSACASA-N 303.818 4.503 30 20 DJED Cc1nn(C)c2sc(C(=O)/C=C\c3sccc3Cl)cc12 806576497 CRVODEAQNZJQSW-ARJAWSKDSA-N 322.842 4.554 30 20 DJED CCC(=NNc1cccc(C(F)(F)F)c1)c1cccc(N)c1 814689636 BXFLHXMNNIYDSJ-UHFFFAOYSA-N 307.319 4.514 30 20 DJED C=CCOc1cccc(CNc2ccc(OC)c(Cl)c2)c1 916840275 PUWWOKWZKCGNAG-UHFFFAOYSA-N 303.789 4.526 30 20 DJED CCCOc1cccc(/C=C\C(=O)c2ccc(OC)c(F)c2)c1 917143811 QDRWIALUIPQSNP-CLFYSBASSA-N 314.356 4.519 30 20 DJED Fc1cccc(C=NOCc2ccc(Cl)c3cccnc23)c1 917395592 SRVAYDVVBSUAKO-UHFFFAOYSA-N 314.747 4.578 30 20 DJED CCCCCCC[C@@H](C)CNC(=O)N(C)Cc1ccccc1O 918136660 RAUFHEZLBHMFHM-MRXNPFEDSA-N 320.477 4.530 30 20 DJED N#C[C@@H](c1ccccc1)N1CCC[C@@H](c2ccc(F)cc2)CC1 1168437629 LQERYQBXVOYKPL-UZLBHIALSA-N 308.400 4.660 30 20 DJED CCCN(Cc1ccccc1F)Cc1ccc(Cl)cc1C#N 1196159548 SQGXWLOMNPGFSN-UHFFFAOYSA-N 316.807 4.763 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C[C@@H](C)c1ccc(C)cc1 1204803406 MUWFSBJIDLUIBT-GOSISDBHSA-N 306.453 4.882 30 20 DJED CCC[C@@H](CCc1ccccc1)Nc1nc(C#N)c(Cl)s1 1306977252 CPHWGVKVYHDXRC-ZDUSSCGKSA-N 319.861 4.882 30 20 DJED Cc1ccc(OC(F)F)c(COc2cc(Cl)ccc2C#N)c1 1307320243 VEKJOJVFXWVCTL-UHFFFAOYSA-N 323.726 4.701 30 20 DJED C#CC[C@@H](NCc1csc(C(F)(F)F)c1)c1ccccc1 1329157583 ZIOGKKXIAJGBLA-CQSZACIVSA-N 309.356 4.621 30 20 DJED C=C(C)[C@H](NCc1coc(C(C)(C)C)n1)c1ccc(F)c(F)c1 1334092638 GBINNUIURTZLFB-INIZCTEOSA-N 320.383 4.657 30 20 DJED C[C@H](OC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc(C#N)cc1 1354919455 QSYBSKPIMYYXAW-UDTPNQRGSA-N 311.425 4.769 30 20 DJED Cc1c(C(=O)Nc2ccc(Cl)cc2C#N)oc2c(C)cccc12 1461546944 FLBOIBDNMVEDEJ-UHFFFAOYSA-N 324.767 4.827 30 20 DJED Cc1nc(Nc2cccc(N(C)C(C)C)c2)c(Cl)cc1C#N 1472686648 YLAXCOUCUAREIB-UHFFFAOYSA-N 314.820 4.503 30 20 DJED N#Cc1ccc(COc2c(Cl)cccc2Br)cc1 1473074876 BWKQEZFVFDZTOZ-UHFFFAOYSA-N 322.589 4.553 30 20 DJED CCc1c(C)sc(NC(=O)[C@H](C)CCC(C)(C)C)c1C#N 1520400674 UQVLJUHUFFUXKU-LLVKDONJSA-N 306.475 4.892 30 20 DJED Cc1cc(SCc2csc(-c3ccccn3)n2)ccc1C#N 1614553230 VZTNMXKLGXOGGW-UHFFFAOYSA-N 323.446 4.678 30 20 DJED N#Cc1cccc(C#N)c1NCc1ccc(-c2cccs2)cc1 1651221491 DPVVDDJVVATBNY-UHFFFAOYSA-N 315.401 4.771 30 20 DJED CC(C)[C@H]1CCc2ccccc2[C@H]1NCc1ccc(C#N)cc1F 1656058848 GOQRJSDMRSUQPH-NQIIRXRSSA-N 322.427 4.747 30 20 DJED Cc1cc(C#N)ccc1CSc1nc2cc(F)ccc2s1 1656867941 RHXKSKBIRPNJBV-UHFFFAOYSA-N 314.410 4.908 30 20 DJED CCCC[C@H](C)N(CCCC)C(=O)Nc1cc(C#N)ccc1F 1672126418 XDWQUUDNRDRNOF-AWEZNQCLSA-N 319.424 4.910 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCC[C@H]1CCC(C)C 1675079533 BIHCBSVINUSBOL-IRXDYDNUSA-N 313.445 4.593 30 20 DJED N#CCC[C@@H](N[C@@H]1CCc2cc(Cl)ccc21)c1ccccc1 90664925 JOVIXBTXBQJNSD-RTBURBONSA-N 310.828 4.962 30 20 DJED N#Cc1ccccc1CSCc1csc(-c2ccoc2)n1 108408789 UVSFBZIAFUHHIX-UHFFFAOYSA-N 312.419 4.708 30 20 DJED CCCCCCCC(=O)N1CCn2cccc2[C@H]1c1ccccc1 108803791 GCJJEDOWSHNTAK-OAQYLSRUSA-N 324.468 4.780 30 20 DJED CCC(CC)CC(=O)Nc1ccccc1S[C@@H](C)CC#N 129303057 NQQLQWMXUIPSTC-ZDUSSCGKSA-N 304.459 4.846 30 20 DJED C[C@H](C#N)CSc1ccccc1NCc1ccccc1F 170983087 YVKYVJFOLSDWCD-CYBMUJFWSA-N 300.402 4.690 30 20 DJED C=C[C@H](CC(=O)N(C1CC1)[C@H](C)c1ccco1)c1ccccc1 179077311 HFYPWQWQHIQQLC-HZPDHXFCSA-N 309.409 4.692 30 20 DJED CCOc1ccc(-c2nc(CSCCCC#N)cs2)cc1 190894795 WDOYFAGITXOAGX-UHFFFAOYSA-N 318.467 4.746 30 20 DJED N#CCCCOc1cccc(CN[C@H]2CCCc3ccccc32)c1 237826141 JYZGDUGFXDKMKL-NRFANRHFSA-N 320.436 4.536 30 20 DJED C[C@@H](N[C@@H]1CCCc2c1[nH]c1ccccc21)c1ccc(C#N)cc1 289160160 GYBGKYVXPKCKIH-JLTOFOAXSA-N 315.420 4.768 30 20 DJED N#Cc1nc(N2CCC[C@H]2c2cccc(Cl)c2)ccc1Cl 301507914 CARVJROJFINHJK-HNNXBMFYSA-N 318.207 4.602 30 20 DJED OC1=NCc2ccc(N=C(O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)cc21 329086045 GPMMYLQDYZQLEX-APHBMKBZSA-N 312.413 4.699 30 20 DJED C[C@@H]1CCC[C@H](C/C(O)=N/CC[C@H]2C(O)=Nc3ccccc32)C1 329483782 FIODRFFPKGXFFG-IJEWVQPXSA-N 314.429 4.935 30 20 DJED Cc1c([C@H](/N=C(/O)C[C@H]2CCOC2)C(C)C)oc2ccccc12 329791803 UTTLVAPBPGYWEU-RDTXWAMCSA-N 315.413 4.821 30 20 DJED Cc1nc(CC2CC2)oc1/C(O)=N/C1(c2ccccc2)CCCC1 330017132 QPRWBWUXALGLBQ-UHFFFAOYSA-N 324.424 4.710 30 20 DJED Cc1cc(Cl)ccc1N/C(O)=N/[C@@H]1CCO[C@H](CC(C)C)C1 330689165 DQACBILTQLRUSC-HUUCEWRRSA-N 324.852 4.568 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1nc(-c2cc(C)oc2C)cs1 344221135 DINKRRFTYSWNKN-MRXNPFEDSA-N 304.415 4.561 30 20 DJED N#Cc1ccc(F)c(CN[C@H](CC2CCC2)c2ccccc2)c1 344293170 HKDSXAUSAQVLGL-HXUWFJFHSA-N 308.400 4.718 30 20 DJED CC1CCC(CC(=O)Nc2ccccc2SCCC#N)CC1 359701271 BOSIRAGSDUYCJA-UHFFFAOYSA-N 316.470 4.847 30 20 DJED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cc2cc(C)c(C)cc2o1 436294695 GKITXNGYXNHKSG-GUXCAODWSA-N 313.441 4.681 30 20 DJED C=C(C)COc1cccc(NC(=O)N2C[C@H](C)CCC[C@@H]2C)c1 438113869 CMBSBQZJGQVGCJ-CVEARBPZSA-N 316.445 4.684 30 20 DJED C=CC[C@H](C)NC(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 438503609 YRYISIMXUWMZLK-ZDUSSCGKSA-N 313.401 4.551 30 20 DJED N#C[C@@H]1CC[C@@H](N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 442865426 IHNFHDNAFYEIHO-FMKGYKFTSA-N 309.240 4.521 30 20 DJED C=C[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(C)c2)cc1C 465254481 RSPZZPBXTZSANR-MRXNPFEDSA-N 324.424 4.578 30 20 DJED CCC[C@@H]1[C@@H](C)CCCN1C(=O)C[C@@H](CC#N)c1ccccc1 476191601 MKUDHFMXNBMFTI-QXAKKESOSA-N 312.457 4.501 30 20 DJED C=CC[C@@H]1N(C(=O)C[C@H](CC#N)c2ccccc2)CCCC1(C)C 477117391 DBMURXOCJMUEPH-OALUTQOASA-N 324.468 4.667 30 20 DJED CC(C)(C#N)c1ccccc1CNc1cc(Cl)ccc1F 486464862 VAWZROQMNMQQQL-UHFFFAOYSA-N 302.780 4.892 30 20 DJED C=CCC(C)(C)CNC(=O)c1c[nH]cc1-c1ccc(Cl)s1 489992293 ZXNTYCGHWIRGKK-UHFFFAOYSA-N 322.861 4.729 30 20 DJED C=C(C)CCc1noc(/C=C(/C)c2ccccc2OC(F)F)n1 508686659 OUKJJEIWYIUYSQ-BENRWUELSA-N 320.339 4.740 30 20 DJED COc1ccccc1[C@@H]1CC[C@H](C)CN1CCCC(C)(C)C#N 510258552 ZQNDRJAHKIUZQO-WMZOPIPTSA-N 314.473 4.798 30 20 DJED Cc1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1 511131596 PMUZAVTXIFRUBG-UHFFFAOYSA-N 318.401 4.848 30 20 DJED CC(C)(CCC#N)CN[C@H]1CC=C(c2ccc(F)cc2)CC1 539771220 HAUOIOJQWKDOGA-SFHVURJKSA-N 300.421 4.681 30 20 DJED CC(C)(C#N)CCCOc1ccc(-n2ncc3ccccc32)cc1 542087857 APWGPCQLQZYZMK-UHFFFAOYSA-N 319.408 4.734 30 20 DJED C=CCC[C@@H](C)Nc1cccc(-c2nnc3n2CCCCC3)c1C 542697881 VTHLYBNFSBZJAZ-OAHLLOKOSA-N 324.472 4.747 30 20 DJED Cc1cc(C)cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c1 592973222 AVHWYYNIMWEZBM-AWEZNQCLSA-N 324.380 4.542 30 20 DJED C=CCCSCc1csc(COc2ccc(F)cc2)n1 610092189 MHFLFHYLNSKUAJ-UHFFFAOYSA-N 309.431 4.671 30 20 DJED CC(C)(C(=O)Nc1ccc(C#N)cc1)c1ccc2ccccc2c1 610220247 NHAHVQNQZNWIJF-UHFFFAOYSA-N 314.388 4.628 30 20 DJED CCN(Cc1cscc1Cl)[C@@H](C)c1ccc(C#N)cc1 611256417 KVLIAYDTCICSKT-LBPRGKRZSA-N 304.846 4.856 30 20 DJED N#Cc1ccc(CNCc2ccc3ccccc3c2)cc1Cl 619749061 ZCYOTISQIHERKY-UHFFFAOYSA-N 306.796 4.655 30 20 DJED CCCC(=NNc1ccc(C)nn1)c1ccc(Cl)c(Cl)c1 729937812 FWXIWSVGICPLJG-UHFFFAOYSA-N 323.227 4.708 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)C=C1CCCC1 731333012 VPDJBGWAWDOKMR-ZDUSSCGKSA-N 300.427 4.520 30 20 DJED Cc1ccc(NN=C(CC2CCCCC2)c2ncccn2)cc1 733902314 POERTLCWSKQLNP-UHFFFAOYSA-N 308.429 4.572 30 20 DJED COc1cc(C=NNc2ccccc2Cl)ccc1SC 746484872 MUWGXTHZZBPWMR-UHFFFAOYSA-N 306.818 4.517 30 20 DJED N#Cc1csc(/C=C2/Cc3c(ccc(Cl)c3Cl)C2=O)c1 748440950 TYZWUQCRUADDAD-WTKPLQERSA-N 320.200 4.749 30 20 DJED C=CCN(C(=O)Nc1cccc(CCC(F)(F)F)c1)C(C)C 753893233 KVPGDSVJKGAXQE-UHFFFAOYSA-N 314.351 4.610 30 20 DJED CC(C)(C=NNc1ccnc2cc(Cl)ccc12)CCC#N 755471001 AMQGKKLFYGWADX-UHFFFAOYSA-N 300.793 4.616 30 20 DJED Cc1ccc(NN=Cc2ccc(Sc3ccccn3)o2)cc1 766432657 YMKNUANLPKUXDP-UHFFFAOYSA-N 309.394 4.580 30 20 DJED CCCOc1cccc(/C=C/C(=O)c2cccc(F)c2F)c1 776268446 OLJUCTNXHXZFSI-MDZDMXLPSA-N 302.320 4.650 30 20 DJED CC[C@H](Sc1ccccc1)C(=O)OCCCCC(C)(C)C#N 785922359 IZFSVBRZYGKJJG-INIZCTEOSA-N 319.470 4.821 30 20 DJED C#CCC1(C(=O)Nc2ccc(OC(C)C)cc2F)CCCCC1 788194020 WHHBCUWTTNQVIJ-UHFFFAOYSA-N 317.404 4.525 30 20 DJED C#CCCCCCC(=O)Nc1cc(Cl)c(Cl)cc1F 798578279 QGWCQXICJLZRNM-UHFFFAOYSA-N 302.176 4.655 30 20 DJED C(=NOCc1ccccc1)c1cccc(OCc2ccccc2)c1 824122297 MVKRTPZDOQEWSO-UHFFFAOYSA-N 317.388 4.816 30 20 DJED C[C@H](CC(=O)[C@H](C#N)c1nc(C2CC2)cs1)C1CCCCC1 842943767 YWOMPQWCZUQVTB-DOMZBBRYSA-N 316.470 4.803 30 20 DJED Cc1cc(Cl)ccc1C[S@@](=O)CCCCC1(C#N)CCC1 899405857 HXLKSMLOKVQLBF-NRFANRHFSA-N 323.889 4.761 30 20 DJED CCOc1ccc(O)c(C=Nc2ccc3oc(C4CC4)nc3c2)c1 914702411 FFDJMXVVCFQPCX-UHFFFAOYSA-N 322.364 4.560 30 20 DJED CCCCN(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915353706 WHMPURVXKDUDNC-IBGZPJMESA-N 321.424 4.606 30 20 DJED CCCOc1cc(/C=C/C(=O)c2cccc(C)c2)ccc1OC 916153595 VPMJWZNHQWGCQL-CSKARUKUSA-N 310.393 4.689 30 20 DJED CCOc1ccc(C(C)=NNc2ncc(Cl)cc2Cl)cc1 916317867 XGPYJRYPEOBSOW-UHFFFAOYSA-N 324.211 4.623 30 20 DJED CCCCCCC[C@@H](C)CNC(=O)c1c(C)noc1C(C)C 917872927 RWAGYXCHUKSXGQ-CQSZACIVSA-N 308.466 4.833 30 20 DJED C=CCN(C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C)C(C)C 918077560 UEFMFERPNPIMBP-INIZCTEOSA-N 306.425 4.519 30 20 DJED C[C@H](CC(=O)N(c1ccc(C#N)cc1)C1CCC1)CC(C)(C)C 1131372135 VOANMLOBSXNWDS-OAHLLOKOSA-N 312.457 4.906 30 20 DJED CC1(C)CN(Cc2ccc(F)cc2C#N)c2cccc(Cl)c21 1168019141 XWCPZBWVSQSOSF-UHFFFAOYSA-N 314.791 4.649 30 20 DJED CCCC1CCN(c2c(C#N)cnc3c(Cl)cccc23)CC1 1185574419 QICCGRKGLTWOQS-UHFFFAOYSA-N 313.832 4.776 30 20 DJED N#Cc1cc(CN2CCC[C@@H]2CCCc2ccccc2)ccc1F 1192214976 QVFZQQJITRMIEU-FQEVSTJZSA-N 322.427 4.685 30 20 DJED N#Cc1cc(Oc2ccc(NC3CCCCCC3)cc2)ccn1 1202638999 SHKQFXAYXUHEPA-UHFFFAOYSA-N 307.397 4.880 30 20 DJED N#Cc1cccc(-c2nnc([C@H]3CCC[C@@H]3c3ccccc3)o2)c1 1329224169 YIMRDTFGDMMKAW-MSOLQXFVSA-N 315.376 4.660 30 20 DJED C/C(=C\c1cccc(Cl)c1)c1nnc(-c2ccc(C#N)cc2)o1 1345866439 GWXYFBNQZHCFBE-FMIVXFBMSA-N 321.767 4.822 30 20 DJED CCc1ccc([C@@H](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 1345952824 TZUFAEHDECHFKX-AWEZNQCLSA-N 317.392 4.517 30 20 DJED CC[C@@H]1CCC[C@H](CN2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 1474326846 NDGOQDJHIXXARR-JYRKZWEQSA-N 310.485 4.975 30 20 DJED Cc1cccc(C2(C(=O)O[C@H](C)c3cccc(C#N)c3)CCC2)c1 1525564866 WNWXJYAMSGUGMT-MRXNPFEDSA-N 319.404 4.593 30 20 DJED Cc1nc(N2c3ccccc3C(C)(C)[C@H]2C)c(Cl)cc1C#N 1559236788 SIOGOXQHLYEEQO-GFCCVEGCSA-N 311.816 4.733 30 20 DJED CCC[C@H](CC1CCCC1)C(=O)Nc1ccc(C#N)c(F)c1 1583075945 PDZJQNZBCHUUDE-CQSZACIVSA-N 302.393 4.632 30 20 DJED CC(C)(CNc1ncc(C#N)cc1Cl)c1ccccc1Cl 1650721013 GSMJNIUNVBAADO-UHFFFAOYSA-N 320.223 4.650 30 20 DJED CC(C)N(CCC#N)Cc1ccc(Sc2ccccc2)cc1 1651823171 OSOOVGJZEOOFGB-UHFFFAOYSA-N 310.466 4.962 30 20 DJED N#CCC1(CN2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 1653172560 JECKGWCLRNWIMJ-HNNXBMFYSA-N 309.240 4.824 30 20 DJED Cc1cccc(CN(Cc2ccc(F)cc2C#N)CC(C)C)c1 1657077237 HNXFNEGWGBPJEG-UHFFFAOYSA-N 310.416 4.664 30 20 DJED CC[C@@H](CC#N)NC/C=C\c1ccc(OCc2ccccc2)cc1 1658140932 KMPHCNCGOYSXSU-NSDNCLLMSA-N 320.436 4.561 30 20 DJED N#Cc1ccccc1COc1ccc(Br)cc1Cl 3536317 ZAROLBVCPNBPKQ-UHFFFAOYSA-N 322.589 4.553 30 20 DJED C=CCOc1ccccc1CN[C@H](C)c1cc(C)sc1C 35252940 APDLZVJZNWVQDD-CQSZACIVSA-N 301.455 4.781 30 20 DJED Cc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1C 66156986 XXPJOCQVQZHLJS-UHFFFAOYSA-N 321.424 4.618 30 20 DJED N#Cc1cccc(CSCc2csc(-c3ccoc3)n2)c1 108419690 TZFJVHQCIQWRQM-UHFFFAOYSA-N 312.419 4.708 30 20 DJED Cc1cccc([C@H](C)NCc2cccc(OCCCC#N)c2)c1C 115630140 VALDSFNSIXGCPY-SFHVURJKSA-N 322.452 4.837 30 20 DJED C=CC1CCN(C(=O)CCCCCO[C@H]2CCC[C@@H](C)C2)CC1 163619981 FZVUCAGCDLHXTO-MJGOQNOKSA-N 321.505 4.567 30 20 DJED C#CCCCCC(=O)Nc1cc2oc3ccccc3c2cc1OC 179662960 SRYWDGXBFIFNBY-UHFFFAOYSA-N 321.376 4.727 30 20 DJED N#C[C@H]1CCC[C@@H](N[C@H]2CCSc3ccc(Cl)cc32)C1 185805249 FBRGAZSEWFZLPB-LNSITVRQSA-N 306.862 4.549 30 20 DJED C=C(C)[C@@H](NC(=O)[C@@H](C)c1cccs1)c1ccc(F)c(F)c1 186053424 DAMLDEOSTZLWPK-MEDUHNTESA-N 321.392 4.563 30 20 DJED Cc1cc(C#N)ccc1CSc1nnc(-c2ccccc2C)o1 186194476 YZXLRGCSNOFBBG-UHFFFAOYSA-N 321.405 4.517 30 20 DJED N#Cc1c(Cl)nsc1N[C@H](c1ccc(F)cc1)C1CCC1 301964067 SVWYNURBEQUPEL-ZDUSSCGKSA-N 321.808 4.761 30 20 DJED CN(CCc1cccc2ccccc12)Cc1ccc(F)cc1C#N 303191056 MCGBCKXNWGQCSN-UHFFFAOYSA-N 318.395 4.525 30 20 DJED N#CCOc1ccc(N[C@H](c2cccs2)C2CCCC2)cc1 315897565 QLEVCYHCPKBWEH-SFHVURJKSA-N 312.438 4.994 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)[C@]1(C)CC=CCC1 410460642 WWQJTRNLBHDCLW-RDTXWAMCSA-N 314.454 4.623 30 20 DJED C=CCCCC(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C 433067766 OQYMSKROMSFZQY-NSHDSACASA-N 312.240 4.795 30 20 DJED N#Cc1ccccc1SCc1sccc1Br 463444023 ZIPHTTTXSVIBTI-UHFFFAOYSA-N 310.241 4.675 30 20 DJED CCC(CC)N(CC(C)C)C(=O)C[C@@H](CC#N)c1ccccc1 476234810 HQCSQSJJUIPMAR-GOSISDBHSA-N 314.473 4.747 30 20 DJED C=CCCC1(C(=O)N2CC=C(c3cccc4ccccc34)C2)CC1 476632108 KOAIPKLXAGNPFC-UHFFFAOYSA-N 317.432 4.812 30 20 DJED N#Cc1ccc(CN2CCC[C@H]2c2cccc(Cl)c2)s1 507115081 DAQWPYNWGUBNJG-INIZCTEOSA-N 302.830 4.610 30 20 DJED C=C(C)CCN[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C 508976377 IWQFMKDHPFJTOQ-ZDUSSCGKSA-N 316.470 4.744 30 20 DJED CCC[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 511630114 RBYHTTCBWDQFEC-CQSZACIVSA-N 308.381 4.725 30 20 DJED CC(C)(C#N)CCCNc1cccc(Br)c1Cl 520617672 XOEBDAQCNUDNKK-UHFFFAOYSA-N 315.642 4.844 30 20 DJED CCC[C@H](CC)NC(=O)c1ccccc1-c1ccccc1C#N 521538622 XVCTZNDJQBBNOG-INIZCTEOSA-N 306.409 4.534 30 20 DJED CC(C)C[C@@H](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N 521729059 FBXZOQGIBHLYFV-CABCVRRESA-N 318.486 4.949 30 20 DJED C[C@H](N[C@H]1c2cccc(F)c2CC[C@H]1C)c1ccc(C#N)cc1 538393895 UQPPPPCJPLSLQF-LAPQFRIASA-N 308.400 4.672 30 20 DJED C[C@@H](N[C@@H]1CCCc2c(Cl)cccc21)c1ccc(C#N)cc1 543602134 GRCFCZKRSJWTIA-BFUOFWGJSA-N 310.828 4.940 30 20 DJED CN(Cc1ccc(-c2ccc(Cl)cc2)o1)CC(C)(C)C#N 552085537 BGYUUGPILRSWHU-UHFFFAOYSA-N 302.805 4.582 30 20 DJED N#Cc1cc(OCCCCC(F)(F)F)ccc1C(F)(F)F 589271518 XIDKDVQRPBOJGE-UHFFFAOYSA-N 311.225 4.688 30 20 DJED CCC[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604461419 XPYCHAATCFYFRQ-CQSZACIVSA-N 323.396 4.661 30 20 DJED C[C@H](C(=O)Nc1ccc(C#N)cc1)c1c(Cl)cccc1Cl 604565963 IBGYVKDBFKRINQ-JTQLQIEISA-N 319.191 4.607 30 20 DJED C=CCNC(=O)c1cccc(CSc2cc(C)ccc2C)c1 607618386 ZYLFIILJIGTOJU-UHFFFAOYSA-N 311.450 4.512 30 20 DJED C[C@@H](Nc1cccc(C#N)n1)c1cc(F)c(Cl)cc1Cl 609893597 YXVQMTYUXIKVAD-MRVPVSSYSA-N 310.159 4.572 30 20 DJED CCC[C@@H](CC1CCCCC1)C(=O)N1CCC[C@](C)(C#N)C1 612368865 OFLYJYDULLIOFE-PKOBYXMFSA-N 304.478 4.525 30 20 DJED C#Cc1cccc(N(C(=O)c2cc3c(s2)CCCC3)C(C)C)c1 728247703 GXGIDFPNOLVUPQ-UHFFFAOYSA-N 323.461 4.663 30 20 DJED N#CCOc1cccc(/C=C\c2ccc3ccc(Cl)cc3n2)c1 730149961 NFUMTKMJBWETLB-YWEYNIOJSA-N 320.779 4.961 30 20 DJED C=CCN(Cc1cccs1)C(=S)Nc1ccccc1CC 730593591 FGYCBMPFWMGTOY-UHFFFAOYSA-N 316.495 4.696 30 20 DJED CCc1ccc(/C=C\C(=O)c2cccc(OC(F)F)c2)s1 731156737 KNLFKBDFJZLBDP-HJWRWDBZSA-N 308.349 4.808 30 20 DJED N#Cc1ccccc1/C=C\C(=O)c1cc2cc(Cl)ccc2o1 755587923 VEKCTQFXAVYSBN-ALCCZGGFSA-N 307.736 4.854 30 20 DJED CCSc1ccc(C(=O)/C=C\c2ccc(OC)c(C#N)c2)cc1 755605420 XODYPMJCETUATF-WMZJFQQLSA-N 323.417 4.575 30 20 DJED CCCCCCCC(=O)Nc1csc(-c2ccncc2)n1 765853587 ZOTXLMYOHZCLQP-UHFFFAOYSA-N 303.431 4.504 30 20 DJED C=CC[C@H](NC[C@@H](C)c1cccc(Cl)c1)c1ccncc1 783636871 DOGSJDIAGYAHKC-KDOFPFPSSA-N 300.833 4.746 30 20 DJED Cn1cc(C=NNc2cccc(Cl)c2)c(C2CCCCC2)n1 783784680 UMWYWNNMBWCPNS-UHFFFAOYSA-N 316.836 4.567 30 20 DJED CC(=NNc1ccc(C(F)(F)F)cn1)c1csc(Cl)c1 787148432 GFCVROUWRYNWDK-UHFFFAOYSA-N 319.739 4.651 30 20 DJED C=CC[C@@H](C(=O)Nc1cc(Cl)nc(Cl)c1)c1ccccc1 787932187 OJRDPJWGROENME-CYBMUJFWSA-N 321.207 4.687 30 20 DJED CC(C)CC(C)(C)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797570913 KNJHBAFHBPIKBO-LBPRGKRZSA-N 306.475 4.689 30 20 DJED C#CCCCCCC(=O)N1CCC[C@](C)(c2ccccc2)CC1 804281957 AHNAVDBTXTWBMV-NRFANRHFSA-N 311.469 4.541 30 20 DJED O=C(/C=C\c1cc(F)ncc1F)c1cc2cc(Cl)ccc2o1 806566884 CBOQBGWEGFUOFB-IWQZZHSRSA-N 319.694 4.656 30 20 DJED C/C(=C\c1ccccc1Cl)C(=O)Nc1scc(C)c1C#N 809001595 OKLIGNCXDNCYOT-JXMROGBWSA-N 316.813 4.624 30 20 DJED CC(/C=C/C(=O)c1cncs1)=C\c1ccccc1OC(F)F 811692123 VDYBHTDNFWPUSC-HRCSPUOPSA-N 321.348 4.587 30 20 DJED CCCCCCCC(=O)N(CC)[C@@H](C)c1cccc(OC)c1 914510071 PLYIYVDDRCQUEV-INIZCTEOSA-N 305.462 4.965 30 20 DJED COc1ccc(Cl)cc1/C=C\C(=O)c1ccc(Cl)s1 917143149 CVVFYOUUTUTJFT-RQOWECAXSA-N 313.205 4.960 30 20 DJED CC(=NNc1ncccc1Cl)c1ccc(OCC(C)C)cc1 917549281 KWQXFBPHGDBWFD-UHFFFAOYSA-N 317.820 4.606 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1coc2ccc(C(C)C)cc12 1127069366 MZIWMRNNFIYALO-UHFFFAOYSA-N 318.376 4.989 30 20 DJED Cc1ccc(C)c2c(C)c(C(=O)Nc3ccc(C#N)c(F)c3)oc12 1129455604 CRACEOBHZYCNTH-UHFFFAOYSA-N 322.339 4.621 30 20 DJED N#Cc1cc(F)cc(NCc2ccc(-c3ccccc3)cc2)c1 1203372531 IDFGRLUQRFIGOX-UHFFFAOYSA-N 302.352 4.976 30 20 DJED CC(C)CN(C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1)c1ccc(C#N)cc1 1264412720 MLPRUENWJZPFQL-JFIYKMOQSA-N 312.457 4.620 30 20 DJED CCC(CC)(C(=O)Nc1cc(C)cc(C#N)c1)c1ccccc1 1275797442 WIQGXDKVZGVSDP-UHFFFAOYSA-N 306.409 4.563 30 20 DJED COc1ccc(C#N)cc1CN1CCCCC[C@H]1c1ccc(C)o1 1307488680 GFGDMDAGOMLARY-SFHVURJKSA-N 324.424 4.586 30 20 DJED CCCC(=NNc1cncc(Br)c1)c1ccsc1 1343373807 AKPXNWDJABXAFB-UHFFFAOYSA-N 324.247 4.522 30 20 DJED CC[C@H](C#N)[C@H](OC(=O)[C@H](C)c1cccs1)c1cccs1 1343906305 PCDPCPYFKVHBKU-JMSVASOKSA-N 319.451 4.747 30 20 DJED CC[C@@H](CC1CCCC1)C(=O)Nc1sc2c(c1C#N)CCC2 1348101186 GLHUTBXXKUKFRJ-ZDUSSCGKSA-N 316.470 4.653 30 20 DJED CCC(C)(C)NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 1349620270 AWRATWGTAKQYFX-UHFFFAOYSA-N 322.408 4.577 30 20 DJED C[C@@H](NC(=O)C1CC(C)(C)CC(C)(C)C1)c1ccc(C#N)cc1 1358242543 WDXWBXZLMZFARD-CQSZACIVSA-N 312.457 4.588 30 20 DJED CCC[C@H](CC1CCCC1)C(=O)Nc1cc(C#N)ccc1NC 1448353087 GZFXOZMXYDPMHH-MRXNPFEDSA-N 313.445 4.535 30 20 DJED Cc1cc(N[C@@H](c2ccc(Cl)cc2F)C(C)C)ncc1C#N 1472753810 NBTUHAGIXWTWGP-QGZVFWFLSA-N 317.795 4.863 30 20 DJED C[C@H](NCc1ccns1)c1ccc(-c2cccc(C#N)c2)cc1 1473376577 ZKVCFPULTWMPIM-AWEZNQCLSA-N 319.433 4.533 30 20 DJED C[C@H](OC(=O)c1csc2ccccc12)c1ccc(C#N)cc1 1531747479 KQIGIYNVIZPEKX-LBPRGKRZSA-N 307.374 4.691 30 20 DJED C[C@H](c1cccc(Cl)c1)N(C)C(=O)CC1(C#N)CCCCC1 1533055545 SKLHXNRJRYGDPT-CQSZACIVSA-N 318.848 4.724 30 20 DJED CC[C@H](Cc1ccccc1C)C(=O)O[C@H](C)c1ccc(C#N)cc1 1533619888 UMHUNYHQIVDFLX-SJLPKXTDSA-N 321.420 4.740 30 20 DJED Cc1ccc(C#N)cc1C(=O)N[C@H](C)c1csc2ccccc12 1586095349 ZWRDEXUSXTZFIS-CYBMUJFWSA-N 320.417 4.572 30 20 DJED CC[C@H](C#N)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 1598198284 VNWOWQDGELCZAR-GFCCVEGCSA-N 314.772 4.621 30 20 DJED CC(=O)c1ccc(Cl)cc1OCc1ccc(C#N)cc1Cl 1613875977 VAUFSORPGIHBGM-UHFFFAOYSA-N 320.175 4.647 30 20 DJED COc1ccc(CNc2cc(C#N)ccc2C)cc1OCC(C)C 1620962785 SSWMDRXJOOKHSI-UHFFFAOYSA-N 324.424 4.522 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCC[C@H]1c1ccccc1 1621396838 UNXMDFIAVLOSML-BVSLBCMMSA-N 316.448 4.862 30 20 DJED CC(C)(C#N)CCN1CCC[C@]1(C)c1ccc(C(F)(F)F)cc1 1648050045 IXIYDMPYACNLAM-QGZVFWFLSA-N 324.390 4.956 30 20 DJED CCOc1ccc(Cl)cc1CNc1cc(C)cc(C#N)c1 1651210560 LSISWYLBSGJASC-UHFFFAOYSA-N 300.789 4.531 30 20 DJED N#C[C@@H]1CC[C@H](N[C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)C1 1664987292 KNFICHMNHZIIBG-WCZJQEMASA-N 302.849 4.648 30 20 DJED CCCC[C@H](C)N(CCCC)C(=O)Nc1ccc(C#N)c(F)c1 1670704842 UULTUUBVMVYVBH-AWEZNQCLSA-N 319.424 4.910 30 20 DJED Cc1cc(C#N)cc(NC(=O)N[C@H](C)c2cccc(C3CC3)c2)c1 1670905486 FSUTUTLKPLXMFE-CQSZACIVSA-N 319.408 4.627 30 20 DJED O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 59270315 UAZPMHVUMQLMSA-XCVCLJGOSA-N 321.254 4.510 30 20 DJED Cc1ccc2c(CSc3ccc(C#N)cc3)cc(=O)oc2c1C 111171421 KDJMJBSFKZMRGM-UHFFFAOYSA-N 321.401 4.574 30 20 DJED Cc1ccccc1-c1nnc(S[C@H](C#N)C2CCCCC2)o1 115184701 VRMMOTKPTWVICE-OAHLLOKOSA-N 313.426 4.610 30 20 DJED CC(C)(C#N)c1ccccc1CSc1nncc2ccccc12 151430622 KIUVKIPBKMQGTM-UHFFFAOYSA-N 319.433 4.723 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2cccc(-c3ccccn3)c2)cc1 158672232 BYPYQKVVQXUWSI-FMIVXFBMSA-N 310.356 4.516 30 20 DJED Cc1cc(C)cc([C@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)c1 180536899 JJWPSEMHLUMAIC-IRXDYDNUSA-N 308.425 4.618 30 20 DJED CC(C)[C@@H](NCc1cc(C#N)cs1)c1ccc(Cl)cc1F 181011307 KRZMEGOHCVILDX-MRXNPFEDSA-N 322.836 4.899 30 20 DJED CC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 192149113 PQENTQRUNUBSTI-QGZVFWFLSA-N 302.780 4.592 30 20 DJED N#Cc1ccc(NC(c2ccccc2)c2ccccc2)c(F)c1 319813131 KUWZIBLRQVDCPY-UHFFFAOYSA-N 302.352 4.899 30 20 DJED CC(C)Oc1ccc([C@H](C)Nc2ccc(OCC#N)cc2)cc1 390320356 ATCMPRYGIHTACB-HNNXBMFYSA-N 310.397 4.549 30 20 DJED C=CC[C@H](CC)NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl 410143381 CKIIQWPPHNALHC-UHTWSYAYSA-N 312.240 4.568 30 20 DJED Cc1nc(-c2ccccc2)sc1[C@@H](C)NCC(C)(C)CC#N 414160145 CPWQYRRDQSFISC-CYBMUJFWSA-N 313.470 4.709 30 20 DJED C[C@@H](N[C@H](CC(F)F)c1ccccc1)c1ccc(C#N)cc1 421880605 QOWQJYVBKBQRIA-CXAGYDPISA-N 300.352 4.605 30 20 DJED C=C(C)C(C)(C)C(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 424793295 SCJDHFXBBHZESA-HNNXBMFYSA-N 303.421 4.524 30 20 DJED Cc1cc(NCc2cc(C#N)ccc2F)ccc1-c1ccncc1 427408980 XNNSFPQWBUQRII-UHFFFAOYSA-N 317.367 4.680 30 20 DJED C=CCC1(C(=O)N(C)c2nc3ccc(Cl)cc3s2)CCC1 436466077 NHPDRHGOVDLTFT-UHFFFAOYSA-N 320.845 4.659 30 20 DJED C=CCN(Cc1ccccc1)C(=O)CCCc1sccc1C 439046188 NEFQGNJYOPYGEE-UHFFFAOYSA-N 313.466 4.594 30 20 DJED CC[C@H](Nc1ccccc1OC(F)F)c1ccc(C#N)cc1 447599058 IXEKFUVUDWVAJC-AWEZNQCLSA-N 302.324 4.723 30 20 DJED CC1(C#N)CCC(N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 449295218 QQSNUAIPBGSDRY-WEOZKBJRSA-N 300.421 4.524 30 20 DJED C=CCCC[C@@H](C)NC(=O)c1cc(C)cc(C)c1Br 461092948 HIYCLLZIQJUELT-CYBMUJFWSA-N 324.262 4.541 30 20 DJED N#Cc1ccc(CN(Cc2cccc(C(F)F)c2)C2CC2)cc1 470717599 LGVJYWKCCMFRIN-UHFFFAOYSA-N 312.363 4.660 30 20 DJED C[C@@H]1CC(C)(C)N(C(=O)c2ccc(CC#N)cc2)c2ccccc21 479351749 WJGLNPOULMBGLU-OAHLLOKOSA-N 318.420 4.685 30 20 DJED C[C@@H](Nc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(C#N)cc1 480710089 KVXQPMUQLUKGFA-CYBMUJFWSA-N 322.799 4.570 30 20 DJED C=CC[C@@H](C(=O)N(C)Cc1cccc(Cl)c1)c1ccccc1 487595398 ZVKCMYMKGGAWPP-GOSISDBHSA-N 313.828 4.658 30 20 DJED CCN(C[C@H]1CCCC(F)(F)C1)[C@H](C)c1ccc(C#N)cc1 513887274 BFSKSJISMALVBK-ZBFHGGJFSA-N 306.400 4.767 30 20 DJED CCN(C(=O)C[C@H](C)CC(C)C)[C@@H](C)c1ccc(C#N)cc1 524244402 YOHPHGILYHUHSS-CVEARBPZSA-N 300.446 4.540 30 20 DJED C=CCCO[C@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H](C)CC 525077441 ZENXRLBZPCICBE-CPUCHLNUSA-N 323.864 4.525 30 20 DJED Cc1c(COC(C)(C)C)cccc1NCc1cc(C#N)cs1 530640345 UYRRYJVXRHZOMY-UHFFFAOYSA-N 314.454 4.855 30 20 DJED CC(C)(C#N)c1ccccc1CN[C@H](c1cccs1)C1CC1 537161671 SVBCHILWALMABB-SFHVURJKSA-N 310.466 4.790 30 20 DJED N#CC1(c2ccc(-c3ccccc3C(F)F)cc2)CCOCC1 596637062 FTASTKSDXDLTPX-UHFFFAOYSA-N 313.347 4.863 30 20 DJED CCCN(Cc1ccc(C)cc1)C(=O)Nc1ccc(CC#N)cc1 603650797 BLVSYYSETMSKBR-UHFFFAOYSA-N 321.424 4.505 30 20 DJED N#Cc1ccc(/C=C\c2ccc(OCc3ccccc3)cc2)nc1 603893833 HVRDNFUARZTKMQ-POHAHGRESA-N 312.372 4.703 30 20 DJED CC[C@@H](CC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccc(C)cc1 609967318 FLJVTTNJBHMBTN-WMZOPIPTSA-N 320.436 4.628 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CSCc2ccccc21 611392020 FBMHAGNMWLJPBN-VQTJNVASSA-N 320.461 4.513 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1cc2ccc(F)cc2s1 615926004 UQBFFCJQTDIKOO-UHFFFAOYSA-N 318.417 4.585 30 20 DJED CCCCCCCCC(=O)N[C@H](C#N)c1ccc(Cl)cc1 733259002 OLQZLFGOHITWAI-MRXNPFEDSA-N 306.837 4.771 30 20 DJED C=CCN(C(=O)N[C@H](c1ccccc1Cl)C(C)C)C(C)C 734673462 KSNKASXXTAYTMK-INIZCTEOSA-N 308.853 4.643 30 20 DJED O=C(/C=C\c1ccccc1-c1ccccc1)c1cncc(F)c1 737446645 ZNGPVPULNNYVTH-KHPPLWFESA-N 303.336 4.784 30 20 DJED Oc1ccc(Cl)cc1C=Nc1ccc2c(cnn2C(F)F)c1 746523315 UVFIHPWRNIAZPX-UHFFFAOYSA-N 321.714 4.541 30 20 DJED CC(=NNc1nc(-c2ccccc2F)cs1)c1ccccc1 749262362 LMJJWZILJQCGFW-UHFFFAOYSA-N 311.385 4.785 30 20 DJED Cc1cc(C(=O)/C=C/C=C\c2ccccc2[N+](=O)[O-])c(C)s1 750899326 CIROFWYFIBWNHE-KHPAHMTISA-N 313.378 4.725 30 20 DJED CC(=O)Nc1ccc(/C=C/C(=O)c2cc3ccc(C)cc3o2)cc1 754823951 GYFSJECPTBCJGN-UXBLZVDNSA-N 319.360 4.596 30 20 DJED CC[C@@H](Nc1ccc(N2CCCC2)c(F)c1)c1ccc(C#N)cc1 774282146 NHKJTENEJQVXIW-LJQANCHMSA-N 323.415 4.861 30 20 DJED C[C@@H](Nc1ccc(OCC2CC2)cc1)c1ccc(C#N)c(F)c1 777024275 OISNYYBMZLNJBB-CYBMUJFWSA-N 310.372 4.659 30 20 DJED Cc1ccc(N[C@@H](C)c2ccc(C#N)c(F)c2)cc1-c1ncco1 777702483 SRDGNZHGJPVIAN-ZDUSSCGKSA-N 321.355 4.834 30 20 DJED CC(=NNc1cccc2c1CCCC2)c1cnn(C(C)(C)C)c1C 787153195 JVRHXBCLLYBINE-UHFFFAOYSA-N 324.472 4.661 30 20 DJED CC(=NNc1nncc2ccccc12)[C@H](C)c1ccc(Cl)cc1 794467110 YASZPNACFTUHCA-LBPRGKRZSA-N 324.815 4.875 30 20 DJED N#CC1(OC(=O)c2csc(-c3ccc(Cl)cc3)c2)CCC1 796962872 MQEXAJOIQOBULN-UHFFFAOYSA-N 317.797 4.672 30 20 DJED Cc1cc(/C=C/C(=O)c2csc(C(C)C)n2)cnc1Cl 812244080 YQUNCZHOOKBVKL-SNAWJCMRSA-N 306.818 4.519 30 20 DJED N#C[C@@H](C(=O)C1CCCCCCC1)c1cc(C(F)(F)F)ccn1 813215159 SYJLQSHUGLIEDW-CQSZACIVSA-N 324.346 4.637 30 20 DJED N#CC1(CCSCC2CCC3(CC2)OCCO3)CCCCC1 842180311 NQQJJLQEBLEENE-UHFFFAOYSA-N 323.502 4.517 30 20 DJED Cc1cccnc1[C@@H]1CCCC(=NNc2ccnc(Cl)c2)C1 853394971 GDLWFGQBBXWRRD-CYBMUJFWSA-N 314.820 4.564 30 20 DJED Oc1ccc(Cl)cc1C=Nc1cccc(COCC2CC2)c1 920833608 QPJPHYBYDMVIEH-UHFFFAOYSA-N 315.800 4.723 30 20 DJED CC(C)Cn1ccc2c(C(=O)O[C@H]3CCC[C@@H](C#N)C3)cccc21 1275464219 KXINQSVLXINCCB-CVEARBPZSA-N 324.424 4.536 30 20 DJED N#C[C@H]1CCC[C@H](OC(=O)c2cc3cc(Cl)ccc3s2)C1 1275465046 RKZWRVVGLKCTFV-GWCFXTLKSA-N 319.813 4.794 30 20 DJED N#Cc1ncccc1SC(c1ccccc1)c1ccccc1 1307342932 VMIDXPLBVXRUKY-UHFFFAOYSA-N 302.402 4.835 30 20 DJED C=CCCCc1nnc(CCCOc2ccc(Cl)cc2C)o1 1327798605 SJQHZLYNWBPXDB-UHFFFAOYSA-N 320.820 4.552 30 20 DJED CC(C)(C)Cc1ccccc1C(=O)OCc1ccc(CC#N)cc1 1435689650 YSOCLQNFOKPCCQ-UHFFFAOYSA-N 321.420 4.698 30 20 DJED CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1435997667 DUBRSRMDHZNSCX-HUUCEWRRSA-N 322.408 4.971 30 20 DJED C[C@H](C#N)N(Cc1cccc(SCc2ccccc2)c1)C1CC1 1460365664 UNKXWDJSVXPQON-MRXNPFEDSA-N 322.477 4.855 30 20 DJED Cc1cccc(CN(C)c2nc(C(C)(C)C)ccc2C#N)c1C 1472791772 XVPJFSLBWFZQNB-UHFFFAOYSA-N 307.441 4.504 30 20 DJED C[C@H](NCCn1ccc2cc(Cl)ccc21)c1ccc(C#N)cc1 1473468515 OTVVQJSWFRYLEZ-AWEZNQCLSA-N 323.827 4.517 30 20 DJED Cc1ccc(C#N)cc1NC(=O)C1=C(c2ccccc2)CCCC1 1524609878 GUPYSQCUQWZKDC-UHFFFAOYSA-N 316.404 4.833 30 20 DJED N#Cc1cccc(Sc2nc(C3CCCCC3)cs2)n1 1612802674 KNNLPEWIACKLHN-UHFFFAOYSA-N 301.440 4.609 30 20 DJED C[C@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1C 1616375561 PJGXJQREAJNSLH-DLBZAZTESA-N 304.437 4.703 30 20 DJED CC1(C)CCCN(Cc2cccc(F)c2C#N)c2ccccc21 1621365467 OANZJLGNKZFEFF-UHFFFAOYSA-N 308.400 4.775 30 20 DJED COc1cc(C#N)ccc1CS[C@@H](C)c1ccc(F)cc1 1640886235 KHZBOTDBNOBOSR-LBPRGKRZSA-N 301.386 4.700 30 20 DJED Cc1c(C#N)c(S[C@H]2CCc3c(F)cccc32)nc2c1CCC2 1643545578 JHILYXWJIFMHST-SFHVURJKSA-N 324.424 4.669 30 20 DJED Cc1cc(C)cc(CN(Cc2ccc(C#N)cc2)CC(C)C)c1 1644445612 PCIVCYHCQQQUGN-UHFFFAOYSA-N 306.453 4.833 30 20 DJED Cc1nc(N[C@@H](c2ccc(F)cc2)C(C)C)c(Cl)cc1C#N 1651790751 PUFIHJBHQHISAB-MRXNPFEDSA-N 317.795 4.863 30 20 DJED N#CC1(CCN2CCC[C@H](Cc3ccccc3)C2)CCCCC1 1653323080 HGIMFCBMABXPSR-HXUWFJFHSA-N 310.485 4.805 30 20 DJED CCN(CCC1CC1)C(=O)Nc1scc(C(C)(C)C)c1C#N 1670294368 LQUDWDWOTALJRA-UHFFFAOYSA-N 319.474 4.571 30 20 DJED CC[C@H](C)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 69202928 FRYRTYBOLVSPDS-AWEZNQCLSA-N 323.396 4.613 30 20 DJED N#Cc1ccc(N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)nc1 91982555 DSGPTWJWXPXAJH-MRXNPFEDSA-N 317.314 4.535 30 20 DJED CCCCCCC(=O)Nc1ccccc1SC[C@H](C)C#N 108240187 ICKODFDAZLBQLL-CQSZACIVSA-N 304.459 4.847 30 20 DJED CCN(C(=O)c1ccc(Cl)cc1)c1ccc(C#N)c(Cl)c1 156559110 UYMPWBJBJSNSMJ-UHFFFAOYSA-N 319.191 4.532 30 20 DJED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 182137275 MHYJQRURNUBGPL-AWEZNQCLSA-N 322.408 4.527 30 20 DJED Cc1c(Cl)cccc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 195343142 AMWGUKCHKUOZJE-UHFFFAOYSA-N 312.800 4.702 30 20 DJED N#Cc1cccc(C(=O)/C=C\c2cccc(Cl)c2Cl)c1 206978581 REOWRUDVLYXPTA-FPLPWBNLSA-N 302.160 4.761 30 20 DJED O=C(/C=C\c1cccs1)c1ccc(Br)cc1F 255600824 SOPQYKKUVZUTSH-XQRVVYSFSA-N 311.175 4.546 30 20 DJED C=CCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1CC 255933663 MZKPMXADSFNDRS-UHFFFAOYSA-N 301.459 4.541 30 20 DJED CC(C)[C@H]1C[C@@H](NCc2ccc(OCC#N)cc2)c2ccccc21 278755675 OCLZURYOMHWDCH-NHCUHLMSSA-N 320.436 4.563 30 20 DJED C[C@H](Sc1ncccc1Br)c1ccc(C#N)cc1 303765299 LUUPRNKWEZNZCF-JTQLQIEISA-N 319.227 4.569 30 20 DJED Cc1nsc(C)c1C(O)=Nc1ncc(C2CCCCC2)s1 328952679 DAFMXAILSBFKOD-UHFFFAOYSA-N 321.471 4.900 30 20 DJED C[C@H](S[C@@H]1CCCc2ccccc21)/C(O)=N/C1(C#N)CCC1 329869416 YUINDBOTSMCUTR-XJKSGUPXSA-N 314.454 4.588 30 20 DJED C[C@@H](NCc1cccc(F)c1C#N)c1ccc(C(F)(F)F)cc1 428292942 DITWLSJHTYOJFH-LLVKDONJSA-N 322.305 4.567 30 20 DJED CCN(C(=O)c1sccc1C1CC1)[C@@H](C)c1ccc(C#N)cc1 432713804 MBMGHOYEYSZZHJ-ZDUSSCGKSA-N 324.449 4.720 30 20 DJED C=CCCC(=O)N1CCc2ccccc2[C@@H](c2ccccc2)[C@@H]1C 435364940 GKNXKGPUTBQCBV-HTAPYJJXSA-N 319.448 4.558 30 20 DJED C=CCOCCCC(=O)Nc1ccc(S[C@@H](C)CC)cc1C 463625476 ROCDJZZUQXNNFD-HNNXBMFYSA-N 321.486 4.807 30 20 DJED CC#CCCCC(=O)N1CCCCC[C@@H]1/C=C\c1ccccc1 466657486 MJEHBHUIGUXSBT-UAMJFUFUSA-N 309.453 4.665 30 20 DJED C=CCCN(C)C(=O)N[C@H](CCc1ccccc1)c1ccccc1 466982191 ZPVNQTWYKFZCQO-HXUWFJFHSA-N 322.452 4.578 30 20 DJED C=CCCC1(C(=O)N2CC[C@H](c3ccccc3)[C@@H](CC)C2)CC1 476221008 RMMSKIDJZIWAGP-HKUYNNGSSA-N 311.469 4.775 30 20 DJED C=CCC[C@H](CCC)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 483348125 VTUMOGDWRIBFCJ-BBRMVZONSA-N 317.408 4.661 30 20 DJED N#CCSc1cccc(C(=O)Nc2cccc3ccsc23)c1 501608574 WAMQMVBTIBFZTJ-UHFFFAOYSA-N 324.430 4.769 30 20 DJED CCc1nc(COc2ccc(-c3ccc(C#N)cc3)cc2)cs1 511882000 MBULVEYKMRGDFR-UHFFFAOYSA-N 320.417 4.823 30 20 DJED COc1cc(CSCc2cccc(C#N)c2)ccc1SC 518301167 QOGMHOAAUBFWCW-UHFFFAOYSA-N 315.463 4.722 30 20 DJED N#Cc1ccc(SCc2coc(-c3ccccc3)n2)c(F)c1 524987693 ZTZGFDSQLIDDGK-UHFFFAOYSA-N 310.353 4.645 30 20 DJED C[C@H](NC1CCC(c2ccc(O)cc2)CC1)c1ccc(C#N)cc1 539497886 IQZJICQOXPWXEC-IJNIYJAUSA-N 320.436 4.641 30 20 DJED CCCCN(C(=O)CCCCCC#N)[C@@H](C)c1ccccc1 588327923 KCPYIQJEMFIEAC-KRWDZBQOSA-N 300.446 4.850 30 20 DJED N#CCCCCCC(=O)Nc1nc2c(ccc3ccccc32)s1 588815041 GYHOQNZLCXNRBZ-UHFFFAOYSA-N 323.421 4.862 30 20 DJED CC[C@H](CN[C@@H]1CCCc2cc(C#N)ccc21)CC(F)(F)F 591248800 ZOCQKDIRUJIXFP-BLLLJJGKSA-N 310.363 4.504 30 20 DJED CSCc1cccc(-c2ccc(C3(C#N)CCOCC3)cc2)c1 592985960 JKSGMBBIYJPTIF-UHFFFAOYSA-N 323.461 4.788 30 20 DJED C=CCN(CC=C)C(=O)NCc1ccc(-c2cccc(C)c2)cc1 605210608 GFSZAGPYHKYLLZ-UHFFFAOYSA-N 320.436 4.546 30 20 DJED C=CCCCCCN(C)C(=O)c1cc(Cl)ccc1Cl 606816581 BTHYAZJACHDOJU-UHFFFAOYSA-N 300.229 4.812 30 20 DJED C[C@@H](NCc1cccc(C#N)c1F)c1cccc(C(F)(F)F)c1 611376250 BKPHMPAAWXNWMN-LLVKDONJSA-N 322.305 4.567 30 20 DJED Cc1cc(N[C@H](C#N)Cc2ccccc2)cc(C(F)(F)F)c1 616918300 UJFVFKIFFSUWHN-INIZCTEOSA-N 304.315 4.561 30 20 DJED C#Cc1cccc(NC(=S)Nc2cccc(O[C@H](C)CC)c2)c1 726478305 JKBXHLZBYOKBDK-CQSZACIVSA-N 324.449 4.654 30 20 DJED Cc1nnc(Nc2ccc(SC(C)(C)C)cc2)c(C#N)c1C 726787628 SMQSUIISDHGABO-UHFFFAOYSA-N 312.442 4.599 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(O)c(F)c2)c2ccccc12 728438992 SWIWMZZEXWFRSN-TWGQIWQCSA-N 322.335 4.589 30 20 DJED Cc1cc(C)c(C(=O)/C=C/c2c(Cl)nc(Cl)n2C)cc1C 728439124 FIDSGEFPBCELSE-AATRIKPKSA-N 323.223 4.548 30 20 DJED Cc1cccc(C(=O)/C=C\c2c[nH]nc2-c2cccc(C)c2)c1 728786017 QRLRRVFCXRLMHJ-KTKRTIGZSA-N 302.377 4.590 30 20 DJED COc1cc(C)c(C(=O)/C=C\c2cccc(Cl)c2)cc1OC 731319954 SPJXXCKYZQRWRT-FPLPWBNLSA-N 316.784 4.562 30 20 DJED Cc1ccccc1[C@H](NCc1ccc(O[C@@H](C)C#N)cc1)C1CC1 732820246 FXEPIPXYZMAAFQ-HRAATJIYSA-N 320.436 4.527 30 20 DJED CC(CCc1ccccc1F)=NNc1ccc2ccccc2n1 734091848 NKBTVOXMGSQYKM-UHFFFAOYSA-N 307.372 4.795 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(C)s2)c(OC(F)F)c1 734095174 LXOBUIMQUSUKJI-ALCCZGGFSA-N 324.348 4.563 30 20 DJED CC(=NNc1ccc(Cl)nc1)c1ccc(Cl)cc1Cl 743449773 AZUANNPXGDJYIY-UHFFFAOYSA-N 314.603 4.878 30 20 DJED Clc1cccc(C2CC(=NNc3ccc(Cl)nc3)C2)c1 753932169 NGHRQSWCTMIPLF-UHFFFAOYSA-N 306.196 4.734 30 20 DJED CCc1nc(C=NN(c2ccccc2)c2ccccc2)cs1 755466169 XOMQMVRIQVBPQZ-UHFFFAOYSA-N 307.422 4.878 30 20 DJED N#CC1(OC(=O)c2cc3sc4ccccc4c3s2)CCC1 762094009 JYGGIANSOAWSTJ-UHFFFAOYSA-N 313.403 4.719 30 20 DJED O=C(/C=C\c1cccs1)c1ccc(Br)c(F)c1 767734505 DZQOCZYXQDFQGH-XQRVVYSFSA-N 311.175 4.546 30 20 DJED CC[C@H](C#N)Oc1cccc(CN[C@H](C)[C@H](C)c2ccccc2)c1 772984794 QEMZRSJJBMTQTB-SQGPQFPESA-N 322.452 4.649 30 20 DJED C#CC[C@H](N[C@@H](C)c1cccc(OC(F)F)c1)c1ccccc1 773113251 CTXYWGDFTIAALY-KSSFIOAISA-N 315.363 4.703 30 20 DJED CC(=NOC1CCCCC1)c1sc(-c2cccnc2)nc1C 777459237 OEWKQRFKJMWQHI-UHFFFAOYSA-N 315.442 4.587 30 20 DJED N#C[C@H]1CC[C@@H](Sc2nc(-c3ccc(F)cc3)cs2)C1 788096731 GRQMFQIXGJOHTF-GXFFZTMASA-N 304.415 4.734 30 20 DJED CCCCCC[C@@H](C)NC(=O)C[C@@H](CC#N)c1ccccc1 792931246 GSKYYAREHNDNMA-SJLPKXTDSA-N 300.446 4.549 30 20 DJED CC(=NO[C@@H](C)c1cccc(C#N)c1)c1cc2ccccc2o1 794714392 PSGJZLZCYZUVKV-AWEZNQCLSA-N 304.349 4.806 30 20 DJED C=CCC[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 801532424 ZZJCQKVBRYIYFM-QGZVFWFLSA-N 314.360 4.531 30 20 DJED C=CC[C@H](N[C@@H](C)c1nccc2ccccc12)c1ccncc1 810218155 GMIJGSIOBKZIOU-KXBFYZLASA-N 303.409 4.598 30 20 DJED CCN(C(=O)/C=C(\C)c1cccs1)[C@@H](C)c1ccc(C#N)cc1 857136804 RYJFMYVUGJWTQW-ZQHYZAEZSA-N 324.449 4.633 30 20 DJED Cc1cc(/C=C/C(=O)c2ccc(OC(C)C)cc2)cc(C)c1O 916131586 ZTDWIWGTYBPKCZ-BJMVGYQFSA-N 310.393 4.692 30 20 DJED CC(C)c1ccc(/C=C\C(=O)c2ccccc2F)cc1[N+](=O)[O-] 916135696 IGCKPWAOGZJQOR-NTMALXAHSA-N 313.328 4.753 30 20 DJED CCCCCCCCCN(C)C(=O)c1[nH]c(C)c(C(C)=O)c1C 918396586 UDGNMFHTKBMRFP-UHFFFAOYSA-N 320.477 4.657 30 20 DJED Cc1ccc(-c2nc(/C=C\C(=O)c3ccc(O)cc3)cs2)cc1 918712543 BBKIESPACJIAQF-FLIBITNWSA-N 321.401 4.720 30 20 DJED Cc1cc(NC(=O)CC2(C#N)CCCCC2)c2ccccc2c1 1129134899 UXAHQCVZTGCGSJ-UHFFFAOYSA-N 306.409 4.951 30 20 DJED CCC[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@H]2C 1129228045 ZPBGCWSCYNZTKO-UMSGYPCISA-N 316.470 4.680 30 20 DJED CCN(CCc1ccc(C#N)cc1)c1ccc2ccccc2c1 1167741175 PXLBINHWANKNBD-UHFFFAOYSA-N 300.405 4.780 30 20 DJED COc1cc(CN2CCCC[C@H]2c2ccc(C)cc2)ccc1C#N 1204931140 RRJGYWCPFUBDHQ-FQEVSTJZSA-N 320.436 4.603 30 20 DJED CC[C@H](Nc1nc(Cl)c(C#N)s1)c1cc(C)ccc1C 1458539102 KJFGMWZFRLBEJX-LBPRGKRZSA-N 305.834 4.848 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCC(C2CCCC2)CC1 1459595046 JICLBIOSKOGQKR-UHFFFAOYSA-N 310.485 4.890 30 20 DJED CN(C(=O)Nc1ccc(C#N)c(F)c1)c1cccc2ccccc12 1476707222 DXUBAXAAVLLAKJ-UHFFFAOYSA-N 319.339 4.519 30 20 DJED CCc1ccc([C@@H](C#N)N(C)C(=O)CCC2CCCCC2)cc1 1595964734 KJYTYMZNACKDNM-LJQANCHMSA-N 312.457 4.633 30 20 DJED CC(C)[C@@H](CC1CCCCC1)C(=O)N1CCc2c(C#N)cccc21 1598132337 SFLWPVAKPBAHPZ-LJQANCHMSA-N 324.468 4.690 30 20 DJED C[C@@H](NCCc1ccc(C#N)cc1)c1ccc(F)c2ccccc12 1618286418 BLGSQLJGUDBRAC-OAHLLOKOSA-N 318.395 4.744 30 20 DJED N#Cc1cc(CN2CCC(=Cc3cccc(F)c3)CC2)ccc1F 1642336790 VYQMZICXJAATKS-UHFFFAOYSA-N 324.374 4.516 30 20 DJED C[C@@H](CCC#N)CN(Cc1ccccc1F)C1CCCCC1 1651768020 QKUQDQKZLAASJK-INIZCTEOSA-N 302.437 4.900 30 20 DJED Cc1cc(C)c(/C=C/CN[C@@H]2CCc3cc(C#N)ccc32)c(C)c1 1657294541 FDAVOWKBAOESFO-TWKPZUECSA-N 316.448 4.774 30 20 DJED Cc1cccc(CN(Cc2ccc(C#N)c(C)c2)CC(C)C)c1 1658449433 XFBSTMQMASZNSR-UHFFFAOYSA-N 306.453 4.833 30 20 DJED C[C@H](Cc1ccc(-c2ccccc2)cc1)N[C@@H]1CC[C@H](C#N)C1 1659504150 VXBYKRKFOBWSCS-PLMTUMEDSA-N 304.437 4.566 30 20 DJED N#Cc1ccc(Cl)cc1NCc1cccc(C(F)(F)F)c1 36954246 IHXDSBLMMZYMGO-UHFFFAOYSA-N 310.706 4.843 30 20 DJED C=CCN(C)C(=O)Nc1ccc(O[C@@H](C)c2ccccc2)cc1C 157313780 GDUXFBNAVJUHLG-INIZCTEOSA-N 324.424 4.785 30 20 DJED N#Cc1ccc(Cl)cc1N[C@H]1CCO[C@H](c2ccccc2)C1 160584573 XDKXFKDXKJXGCR-WMZOPIPTSA-N 312.800 4.544 30 20 DJED C=CCOc1ccc(CN(CCCCC#N)C(C)(C)C)cc1 177848901 YLBKDGQIVANFNU-UHFFFAOYSA-N 300.446 4.546 30 20 DJED CCCOc1ccc(/C=C\C(=O)c2ccc(F)cc2)cc1OC 206088939 JCALGLGZRJXVJL-WMZJFQQLSA-N 314.356 4.519 30 20 DJED N#C[C@H](/N=C(/O)[C@H]1CCSc2ccccc21)C1CCCCC1 328992936 IVQVNIVMLHAHDG-HOTGVXAUSA-N 314.454 4.695 30 20 DJED CC(C)O[C@@H](CSCc1cccc(C#N)c1)c1ccccc1 427687781 KBMQIXZBTDZCJV-IBGZPJMESA-N 311.450 4.958 30 20 DJED CN(Cc1ccc(C#N)cc1)Cc1csc(Cl)c1Cl 432751685 ZPPHRFCHGOVGJH-UHFFFAOYSA-N 311.237 4.559 30 20 DJED Cc1ccc(SC2(CN[C@H]3CC[C@@H](C#N)C3)CCCC2)cc1 442794347 RWZSAWYFEVNXET-SJORKVTESA-N 314.498 4.682 30 20 DJED Cc1ccc(C)c(N(C(=O)[C@H](C)c2cccc(C#N)c2)C(C)C)c1 463727009 NACOBMFPTPAXPC-QGZVFWFLSA-N 320.436 4.720 30 20 DJED C[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 471281096 AWKRFZPXWHPFSM-SNVBAGLBSA-N 319.191 4.607 30 20 DJED C=CCCCCNC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 471706548 QSSUYEWQBGQMAV-CYBMUJFWSA-N 313.363 4.672 30 20 DJED Cc1csc(COc2ccc(-c3ccc(C#N)cc3)cc2)n1 477535281 LIFVZSMEYJMIFX-UHFFFAOYSA-N 306.390 4.569 30 20 DJED C=CCN(CCc1ccco1)Cc1csc(C2CCCC2)n1 491379718 JPOCHJWIYGOIDP-UHFFFAOYSA-N 316.470 4.624 30 20 DJED N#Cc1cc(CN2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)ccc1F 502771880 BBDDSNMWYVHDFE-WOJBJXKFSA-N 318.395 4.518 30 20 DJED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cccc(OCc2ccccc2)c1 519189729 JVGYMRGIMAMKFJ-HQRMLTQVSA-N 320.436 4.608 30 20 DJED C=CCOc1cccc(NC(=O)N(CC)Cc2ccc(C)cc2)c1 521840082 ZARBOUDOHNIHCG-UHFFFAOYSA-N 324.424 4.614 30 20 DJED C=C[C@@H](CC(=O)Nc1ccccc1OCCC)c1ccccc1 534604462 WSTMDNPHLBOQQS-INIZCTEOSA-N 309.409 4.774 30 20 DJED C=CCCC(=O)CSc1nc(-c2ccco2)nc2ccccc12 536501490 HHQRONUTRIGVBL-UHFFFAOYSA-N 324.405 4.517 30 20 DJED C[C@H](NCC1(c2ccc(Cl)cc2)CC1)c1ccc(C#N)cc1 537294798 GCTNKXPIYLKMRW-AWEZNQCLSA-N 310.828 4.594 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1csc2ccccc12 557518161 VEINYRBHUQJYMN-IBGZPJMESA-N 318.445 4.940 30 20 DJED Cc1cccc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c1C 561132055 PFNYJIJTQVCULF-IERDGZPVSA-N 304.437 4.903 30 20 DJED COc1ccc([C@H](NCC(C)(C)CCC#N)c2ccccc2)cc1 571668394 NAHYJDBUICYHBV-HXUWFJFHSA-N 322.452 4.704 30 20 DJED C=CC[C@H](C)[C@H](C)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 573843633 VKKLSQATMBQNHZ-AVGNSLFASA-N 319.836 4.641 30 20 DJED CC[C@@H](C)CCCCC(=O)N[C@@H](CCC#N)c1ccccc1 612051365 NIPPFSNAOIRZIA-AEFFLSMTSA-N 300.446 4.754 30 20 DJED C#Cc1cccc(N(Cc2ccco2)C(=O)C[C@@H](C)CCC)c1 728182238 DNGRAPSWIHRWGN-INIZCTEOSA-N 309.409 4.620 30 20 DJED C/C(=C/C(=O)N(CCC#N)CCC(C)C)c1ccccc1Cl 728870986 DAKBUEMPICCGAM-SQFISAMPSA-N 318.848 4.532 30 20 DJED Cc1ccccc1[C@@H](NCc1ccc(O[C@H](C)C#N)cc1)C1CC1 732820247 FXEPIPXYZMAAFQ-IERDGZPVSA-N 320.436 4.527 30 20 DJED C#Cc1cccc(NC(=S)N(C)[C@@H](c2ccccc2)C(C)C)c1 732927301 SAHJILISILGNIT-LJQANCHMSA-N 322.477 4.694 30 20 DJED C=CC[C@H](C)NC(=O)Nc1cc2oc3ccccc3c2cc1OC 735088088 NPOVGXXMRRVIPL-LBPRGKRZSA-N 324.380 4.681 30 20 DJED Cc1cc(/C=C\C(=O)c2cccc(O)c2)c(OC(F)F)cc1C 742430793 FDWMJGSRWVKPJD-SREVYHEPSA-N 318.319 4.507 30 20 DJED CC(C)Oc1ccc(/C=C2\CCc3cc(C#N)ccc3C2=O)cc1 742437461 NVDAJTIZNZWWSN-WOJGMQOQSA-N 317.388 4.558 30 20 DJED O=C(/C=C\c1cccc(F)c1F)c1ccc(-c2ccncc2)cc1 745990150 LWFLCQZHAPTYAK-HJWRWDBZSA-N 321.326 4.923 30 20 DJED O=C(/C=C\c1cnc(C2CCC2)s1)c1c[nH]c2ccccc12 760262047 IWHSGWFYVWQOQL-HJWRWDBZSA-N 308.406 4.788 30 20 DJED Cc1cncc(C(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)c1 767367482 OMBWOXORGAPAMV-SOFGYWHQSA-N 307.324 4.685 30 20 DJED Cc1cccc([C@@H]2CCCN2Cc2ccc(O[C@@H](C)C#N)cc2)c1 768329892 JXLZRZQAHDSKMU-UWJYYQICSA-N 320.436 4.623 30 20 DJED FC(F)(F)[C@H]1CCCC(=NNc2nc3ccccc3s2)C1 783512047 ZYFFVUMARFYXDD-VIFPVBQESA-N 313.348 4.817 30 20 DJED Cc1c(C(=O)/C=C\c2cc3ccccc3s2)cnn1C(C)C 787186894 PLPLJYIENQXCAY-HJWRWDBZSA-N 310.422 4.883 30 20 DJED CCCCCCCCC(=O)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 791274106 QHXDSWMCVJXGIQ-DZGCQCFKSA-N 320.304 4.779 30 20 DJED Cc1cccc2c1OC/C(=C\c1ccc(C(F)F)cc1)C2=O 794937892 MGRGTFQHOJDWDH-NTEUORMPSA-N 300.304 4.591 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(F)c(F)c2)c(Cl)c1 797126143 BMUKNWNNHDYXAB-DAXSKMNVSA-N 308.711 4.523 30 20 DJED C/C(C=NNc1ccccn1)=C/c1ccccc1C(F)(F)F 799869102 IUAMDJSRSDELPA-DYSNZJPKSA-N 305.303 4.602 30 20 DJED Cc1c(C(=O)Nc2sccc2C#N)sc2cc(F)ccc12 807951495 XETFVLRJPAMDQV-UHFFFAOYSA-N 316.382 4.534 30 20 DJED C#CC[C@H](OC(=O)c1cc2cc(C)ccc2s1)c1ccccn1 810569912 SDBWCDAIXVBMEP-INIZCTEOSA-N 321.401 4.526 30 20 DJED C#C[C@@H](NCc1cnc(C(C)(C)C)s1)c1ccc(Cl)cc1 811517628 XYNDLJRBVPWLRS-OAHLLOKOSA-N 318.873 4.558 30 20 DJED N#Cc1c(F)cccc1/C=C\C(=O)c1cc2ccccc2s1 811693977 NXLZOSQZXOYKSU-HJWRWDBZSA-N 307.349 4.808 30 20 DJED Clc1cc(Cl)c(NN=CC2CCSCC2)nc1Cl 853271742 NKLZTTDMZGTOHX-UHFFFAOYSA-N 324.664 4.583 30 20 DJED FC(F)(F)[C@@H]1CCC[C@H](C=NNc2cccc(Cl)n2)C1 853350331 QTLHBXOCXKMXQU-VHSXEESVSA-N 305.731 4.501 30 20 DJED Cc1cccc(Cl)c1C[S@](=O)CCCCC1(C#N)CCC1 899410003 RIOBMTMSKYPHJQ-OAQYLSRUSA-N 323.889 4.761 30 20 DJED Cc1[nH]c2ccccc2c1C(=O)/C=C\c1ccc2ncccc2c1 915114715 PRZVFGKNVZWWMT-LUAWRHEFSA-N 312.372 4.921 30 20 DJED Cc1sc2ncnc(NN=C[C@H](C)c3ccccc3)c2c1C 916310469 WPLKYYKAARAXAV-NSHDSACASA-N 310.426 4.510 30 20 DJED C[C@@H](CC(=O)[C@@H](C#N)c1ccc2ccccc2n1)CC(C)(C)C 916848081 ALGHACWRPAJEQO-HOCLYGCPSA-N 308.425 4.873 30 20 DJED CC[C@@H](OC(=O)c1cccc(CC#N)c1)c1ccc(Cl)cc1 920839883 OMIZQVKHRSDYET-QGZVFWFLSA-N 313.784 4.714 30 20 DJED Cc1ccc(NN=Cc2c(C)nn(C(C)(C)C)c2C)cc1Cl 1116378362 JSPXIEJPQLZANZ-UHFFFAOYSA-N 318.852 4.663 30 20 DJED N#Cc1cc(NC(=O)C2(C3CCCCC3)CC2)ccc1Cl 1124582471 XNUPKQHBHOCRCU-UHFFFAOYSA-N 302.805 4.511 30 20 DJED C[C@@H](C(=O)Nc1cc(C#N)ccc1F)c1ccc2ccccc2c1 1129597978 VAYKKUGLISFHAJ-CYBMUJFWSA-N 318.351 4.593 30 20 DJED CCCC[C@@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C(C)C 1436968696 MZWOLRPRCXXESG-MAUKXSAKSA-N 300.446 4.540 30 20 DJED C[C@H](CCC(=O)Nc1ccc(Cl)cc1C#N)c1ccccc1 1437645205 CPLPBIKFMBGAHZ-CYBMUJFWSA-N 312.800 4.734 30 20 DJED CCOc1ccc(C#N)cc1N[C@@H](C)c1nccc2ccccc12 1462068947 DCPNBHGQIXNYJT-AWEZNQCLSA-N 317.392 4.678 30 20 DJED Cc1ccc2sc(NCc3ccc(C#N)cc3F)nc2c1C 1472687425 ASEMAIJDARMFAQ-UHFFFAOYSA-N 311.385 4.536 30 20 DJED C[C@@H](CCC#N)CN1CCC(Sc2ccc(Cl)cc2)CC1 1474320864 SEQFEESVQHEOFV-AWEZNQCLSA-N 322.905 4.836 30 20 DJED CCCC[C@@H](CCC)CNC(=O)Nc1ccc(C#N)cc1Cl 1476276514 VYUFCPOWXMZMBC-CYBMUJFWSA-N 321.852 4.940 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)c1coc2ccccc12 1535799663 INTFLYIKJZAPBF-UHFFFAOYSA-N 312.328 4.710 30 20 DJED CC1(C)C[C@H](c2ccccc2)N(c2snc(Cl)c2C#N)C1 1640063815 RKRLNLHQSPEVEG-CYBMUJFWSA-N 317.845 4.646 30 20 DJED CC(C)(C)CN(CCc1ccc(C#N)cc1)Cc1ccccc1 1641735184 YMLKRWCHOBJNTQ-UHFFFAOYSA-N 306.453 4.649 30 20 DJED Cc1ccccc1[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 1644478433 JHQXBTCRAANBCP-GOSISDBHSA-N 318.464 4.786 30 20 DJED C[C@@]1(C#N)CCCN(Cc2ccc(Oc3ccccc3)c(F)c2)C1 1645006058 ZFSKOUVWCJZVLT-FQEVSTJZSA-N 324.399 4.744 30 20 DJED COc1cc(C#N)ccc1CN(C)C1CC(C)(C)CC(C)(C)C1 1655015385 AXJLFZNDZROBLB-UHFFFAOYSA-N 314.473 4.604 30 20 DJED CC1(C)CCC(CN2CCC(c3ccc(C#N)cc3)CC2)CC1 1656289211 NSOWOSXJACXZIY-UHFFFAOYSA-N 310.485 4.954 30 20 DJED C[C@H](NCc1cccc(F)c1C#N)C1(c2ccccc2)CCCC1 1664341563 QFXJLPGCCLLORL-INIZCTEOSA-N 322.427 4.687 30 20 DJED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CC(C)C 56469591 RLCNHJNNELFZKX-UHFFFAOYSA-N 308.381 4.644 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)C[C@H]1C=CCC1 77687547 SNCUYDJISPLASB-ZDUSSCGKSA-N 308.406 4.582 30 20 DJED N#CCC[C@H](NCc1cccc(C(F)(F)F)c1)c1ccccc1 130462150 VRVRWXZMKQFKPV-KRWDZBQOSA-N 318.342 4.840 30 20 DJED Cc1ccc2c(c1)[C@H](Nc1cccc(OCCCC#N)c1)CC2 162085667 IYMDTXSQNCIAQD-HXUWFJFHSA-N 306.409 4.777 30 20 DJED CC(C)(C#N)CCC[S@](=O)Cc1ccc(Cl)cc1Cl 177940061 CFRKJUHMGUEYGL-IBGZPJMESA-N 318.269 4.572 30 20 DJED C/C=C(\C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 179350288 QLVLKMQREMYCKC-DQPCJIFYSA-N 316.813 4.606 30 20 DJED CN(c1ccc(C#N)c(Br)c1)C1CCC(C)(C)CC1 228191761 KGSLQNVZJRYLKP-UHFFFAOYSA-N 321.262 4.726 30 20 DJED C=CCCO[C@H](C)c1nc(CSc2ccc(Cl)cc2)no1 273690206 IMOBDDPDNZXIMK-LLVKDONJSA-N 324.833 4.669 30 20 DJED Cc1ccc2oc(C(=O)Nc3ccc(C#N)cc3Cl)cc2c1 317840730 RCCJMHZTKVTUQM-UHFFFAOYSA-N 310.740 4.519 30 20 DJED CCc1sc(C(=O)Nc2ccc(Cl)cc2CC#N)cc1C 410967562 MHOQPJZMKLZGJM-UHFFFAOYSA-N 318.829 4.591 30 20 DJED C=CCC[C@H](NCc1cnoc1C)c1ccc(C(F)(F)F)cc1 445811288 QUDMQIVOFLLJPC-INIZCTEOSA-N 324.346 4.799 30 20 DJED Cc1nc(N2CC[C@H]2c2ccc(Cl)cc2)c(Cl)cc1C#N 461891932 YGIIUHOOCKFQCM-HNNXBMFYSA-N 318.207 4.520 30 20 DJED C=CCOc1cccc(CNC[C@H](C)Sc2ccccc2)c1 462743884 UONXQIRFNBOEPW-INIZCTEOSA-N 313.466 4.522 30 20 DJED Cc1ccc([C@H](C)c2noc([C@H](C)c3cccc(C#N)c3)n2)cc1 463044706 UAZAXLKCWXVSGL-LSDHHAIUSA-N 317.392 4.553 30 20 DJED N#C[C@@H]1CCC[C@H](NC[C@@H](Cc2ccccc2)c2ccccc2)C1 463237457 VTAWRVOSAHYFTL-FCEUIQTBSA-N 318.464 4.685 30 20 DJED CCC1CCC(N(C(=O)[C@H](C)c2cccc(C#N)c2)C2CC2)CC1 463393560 PBNHJYMTASELNZ-MDCZIUGASA-N 324.468 4.622 30 20 DJED CC#CCCCC(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 464523474 LPGKOVKCNKALPS-LBPRGKRZSA-N 312.240 4.706 30 20 DJED C=CCOc1ccccc1CN[C@@H]1CCc2ccc(Cl)cc21 479499511 NNJVNHGFYUKTJJ-GOSISDBHSA-N 313.828 4.682 30 20 DJED C=C[C@@H](CC(=O)N1CCc2c(C)cc(C)cc2C1)c1ccccc1 485585392 ZUBYLKOGVLAKIP-SFHVURJKSA-N 319.448 4.548 30 20 DJED C=CCOc1ccc(CN[C@H](C)Cc2cccs2)cc1Cl 517547846 WKDZXUYKYDIEHW-CYBMUJFWSA-N 321.873 4.687 30 20 DJED CCC(CC)[C@@H](C)C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 536427963 URBJDCLEBHOKNQ-CABCVRRESA-N 300.446 4.540 30 20 DJED CC(C)(C#N)CCN1CC=C(c2ccccc2C(F)(F)F)CC1 538468840 QYBVCINDVNWPEQ-UHFFFAOYSA-N 322.374 4.734 30 20 DJED C[C@H](NCCCSc1ccccc1)c1ccc(C#N)c(F)c1 540708162 MUTMAKBGCFFFPW-AWEZNQCLSA-N 314.429 4.530 30 20 DJED C[C@@H](CNCC1CCC(C#N)CC1)c1ccc(C(F)(F)F)cc1 561957320 PZNNHWJDJXMXFI-NFOMZHRRSA-N 324.390 4.728 30 20 DJED Cc1cc(C)c(CN[C@@H]2CCCc3cc(C#N)ccc32)c(C)c1 575346220 WAEOBBHXTHJBJC-OAQYLSRUSA-N 304.437 4.651 30 20 DJED C=CCN(Cc1cccs1)C(=O)N[C@@H](CC)C1CCCCC1 586909045 RWGYZLNHVQBWLQ-KRWDZBQOSA-N 320.502 4.805 30 20 DJED N#CCCCCCC(=O)NCc1ccc(-c2cccs2)cc1 597975183 BYEKJKRLQYZPJD-UHFFFAOYSA-N 312.438 4.505 30 20 DJED Cc1ccc([C@@H](C)Nc2cccc(OCCCC#N)c2)c(C)n1 611468466 AZSNRXBREGXZNQ-MRXNPFEDSA-N 309.413 4.554 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2NCc1cc(Cl)cc(Cl)c1 618742333 MLXQBRFJMZPLSN-QGZVFWFLSA-N 317.219 4.642 30 20 DJED Cc1nc(Oc2cccc3sccc23)c(Cl)cc1C#N 705121612 XJIUSMVCQBYPHH-UHFFFAOYSA-N 300.770 4.922 30 20 DJED COc1cccc(NN=Cc2ccc(-c3ccccc3F)o2)c1 725855035 JUSLCQNWIOUFNN-UHFFFAOYSA-N 310.328 4.540 30 20 DJED Cc1ccc(C2CC(=NNc3ccc(OC(F)F)cc3)C2)cc1 729819344 HUPQQKRINUOKRR-UHFFFAOYSA-N 316.351 4.942 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C\c3ccc(Cl)s3)c2c1 734308375 ZUCDAKWBECRVLA-UTCJRWHESA-N 317.797 4.788 30 20 DJED CCCCC[C@@H](NC(=O)CCc1ccc(C#N)cc1)C(C)(C)C 734345105 INQJBLZARCESLQ-GOSISDBHSA-N 314.473 4.602 30 20 DJED Cc1ccccc1C1CC(=NNc2ccc(C(F)(F)F)cn2)C1 743421907 LQCJWBSZRDTMSK-UHFFFAOYSA-N 319.330 4.754 30 20 DJED COc1ccc(NN=C(C)c2ccc(-c3ccncc3)cc2)cc1 750924027 JBYWSLPGVISIMV-UHFFFAOYSA-N 317.392 4.593 30 20 DJED C=CCCCC(=O)Nc1cc(Br)c(F)cc1Cl 751348189 CIEKPSQMDWYLEL-UHFFFAOYSA-N 320.589 4.536 30 20 DJED C=C[C@@H](CC(=O)OCc1ccc2ncccc2c1)c1ccccc1 759313031 FFLJFMRTSPUEMB-KRWDZBQOSA-N 317.388 4.638 30 20 DJED Cc1cc(F)ccc1C(=O)/C=C\c1ccc(Cl)nc1Cl 761475329 DATNWJSZBOJKEJ-KXFIGUGUSA-N 310.155 4.732 30 20 DJED Cc1ccsc1C(=O)/C=C\c1ccc(F)c(C#N)c1Cl 761477358 NCTXBAAVCSWFPY-HYXAFXHYSA-N 305.761 4.617 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2cccc(OC3CCCC3)c2)s1 762444115 YEFVRTGNSBTEBQ-NTMALXAHSA-N 323.417 4.837 30 20 DJED Cc1ccccc1[C@H](CC(F)(F)F)/N=C\c1cccc(O)c1O 766283946 OUJCLPDHBMNDNX-LKEIMFIWSA-N 323.314 4.519 30 20 DJED O=C1/C(=C\c2nc3c(s2)CCCC3)[C@@H]2CCCc3cccc1c32 776264387 GJHQRXRYAPIUOL-WZMONFQBSA-N 321.445 4.722 30 20 DJED C#CCCCCCC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 779817376 PXABOFDYXFAVQW-HXUWFJFHSA-N 309.453 4.639 30 20 DJED Cc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc2cccnc12 783699381 HLKXWIVJHHOHEF-QPJJXVBHSA-N 309.315 4.718 30 20 DJED Cc1cc(Cl)ccc1/C=C/C(=O)c1cnn(C(C)C)c1C 787187856 YIGLPGVEWYHUNV-SOFGYWHQSA-N 302.805 4.630 30 20 DJED O=C(/C=C/c1cnc(-c2ccco2)s1)c1ccccc1Cl 789127131 KPUXKUMETSFQSD-BQYQJAHWSA-N 315.781 4.953 30 20 DJED O=C(/C=C/C=C\c1ccc(F)c(F)c1)c1ccc(F)cc1F 794694566 FWTZHPJRPSVALH-HSFFGMMNSA-N 306.258 4.695 30 20 DJED C#Cc1cncc(C(=O)Nc2c(C(C)C)cccc2C(C)C)c1 798243027 RWRGOAZNWNOELR-UHFFFAOYSA-N 306.409 4.562 30 20 DJED Cc1cc(-c2cccc(Cl)c2)ccc1NCCO[C@@H](C)C#N 802742577 RALPDXLPRSJYFA-AWEZNQCLSA-N 314.816 4.656 30 20 DJED CC(C)n1cc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)nn1 806569283 PKIYGFGWGWVNLH-OUKQBFOZSA-N 323.440 4.803 30 20 DJED C#C[C@H](NCc1ccc(Cl)s1)c1ccc(Cl)cc1F 809699754 SMUAMCQOYQWINR-ZDUSSCGKSA-N 314.212 4.658 30 20 DJED C=CCCCCCCCNC(=O)c1c(Cl)cncc1Cl 816746750 LWDBTRAVEJOSJQ-UHFFFAOYSA-N 315.244 4.645 30 20 DJED C[C@H](Nc1ccc(C#N)cc1)c1cccc(OC(F)(F)F)c1 864010956 PMXKBOQQLKLROZ-NSHDSACASA-N 306.287 4.630 30 20 DJED CCCCCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915086351 UKWAJUJTBBHPMO-IBGZPJMESA-N 306.409 4.861 30 20 DJED Cc1ccc(/C=C\C(=O)c2sccc2Br)s1 915113955 YSKTWNADRJRRPW-PLNGDYQASA-N 313.241 4.777 30 20 DJED Oc1c(Cl)cc(Cl)cc1C=Nc1cccc2cccnc12 920943649 AJPLRNGJRQKSLB-UHFFFAOYSA-N 317.175 4.998 30 20 DJED Cc1nc(N[C@H](CC2CCCC2)c2ccccc2)ccc1C#N 1162873111 BNAQRUOQMHWLMH-LJQANCHMSA-N 305.425 4.995 30 20 DJED C[C@@H](SCc1ccccc1)c1nnc(-c2ccc(C#N)cc2)o1 1257872811 ROBYVMQPDTWKJJ-CYBMUJFWSA-N 321.405 4.603 30 20 DJED CC(C)CN(C(=O)C1C[C@H]2CCC[C@H](C1)C2)c1ccc(C#N)cc1 1349943816 DRIBCJPXYDXUIJ-ROUUACIJSA-N 324.468 4.764 30 20 DJED CC[C@](C)(C#N)c1nnc([C@@H](C)Oc2ccc3ccccc3c2)o1 1349965374 OQVOMRBHEYJLCZ-BFUOFWGJSA-N 321.380 4.554 30 20 DJED N#CC1(CC(=O)N(C2CC2)[C@@H]2CCc3ccccc32)CCCCC1 1356461918 UTBOATPZDPKHKV-LJQANCHMSA-N 322.452 4.529 30 20 DJED CC(C)C[C@@H](C(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccccc1 1361169211 ZCFBRJKXGBRZAD-OXQOHEQNSA-N 321.420 4.992 30 20 DJED CCCCN(C(=O)CC1(C#N)CCCCC1)C1CCCCC1 1436517863 QOKWUTRRMAHPBV-UHFFFAOYSA-N 304.478 4.812 30 20 DJED CC(C)[C@@H](CNc1nc(C#N)c(Cl)s1)c1ccccc1 1458092823 CCYCVAAYQJVNME-GFCCVEGCSA-N 305.834 4.520 30 20 DJED CCCC1(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 1523663474 FQTOQBGUKMGOBD-UHFFFAOYSA-N 320.392 4.869 30 20 DJED Cc1ccc(C#N)cc1NC(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 1524610831 ROCZXROVMLAYEY-WBVHZDCISA-N 318.420 4.795 30 20 DJED N#CC1(CC(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)CCCCC1 1539325348 MATJCUJMTXRIKO-MOPGFXCFSA-N 324.468 4.693 30 20 DJED CC[C@@H](NC(=O)Nc1sccc1C#N)c1cc(C)ccc1C 1563024246 BYTPZHKUGKNPOG-OAHLLOKOSA-N 313.426 4.509 30 20 DJED CC(C)c1ccc(SCC(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1 1584703683 WJRJGNZAAVODGH-GDBMZVCRSA-N 317.454 4.528 30 20 DJED Cc1cc(CCNc2ncc(Cl)c(C)c2C#N)ccc1Cl 1612419855 SQILHSMTGMRWBS-UHFFFAOYSA-N 320.223 4.532 30 20 DJED CC[C@@H](C#N)C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 1628175384 PCVFFLSCDYLDHG-NSHDSACASA-N 316.763 4.634 30 20 DJED C[C@@H]1CC[C@H](c2ccccc2)N(Cc2cccc(C#N)c2F)C1 1643044693 KVEVWLBULLGFPC-DNVCBOLYSA-N 308.400 4.671 30 20 DJED Cc1ccc([C@@H]2[C@H](C)CCCN2c2cccc(F)c2C#N)cc1 1651574129 FJFVVKNZBVPIBF-QRWLVFNGSA-N 308.400 4.983 30 20 DJED Cc1cccc([C@H]2CCCN2Cc2cccc(C#N)c2F)c1C 1657381445 YLKIXBMCVRKDNR-LJQANCHMSA-N 308.400 4.651 30 20 DJED Cc1ccc(C(C)(C)CNCc2ccc(C#N)c(C)c2)c(C)c1 1658030025 QNTYJZZKWILYFQ-UHFFFAOYSA-N 306.453 4.551 30 20 DJED CC(C)(C)c1csc(NC(=O)N2CC(C)(C)C2(C)C)c1C#N 1662084550 HMMSRUFYVXOJKT-UHFFFAOYSA-N 319.474 4.570 30 20 DJED Cc1ccc([C@@H]2CCCC2=NNc2cccc(C(=O)O)c2C)cc1 1776087218 OTZXZNYGEICZLW-KRWDZBQOSA-N 322.408 4.737 30 20 DJED N#Cc1cccnc1N[C@H](c1ccccc1)c1ccc(Cl)cc1 25503531 XSYZBEJKGCPGHQ-GOSISDBHSA-N 319.795 4.808 30 20 DJED C[C@@H](Nc1cccc(F)c1C#N)c1ccc(Br)cc1 26227129 KRTJHDHMGUXHRZ-SNVBAGLBSA-N 319.177 4.633 30 20 DJED Cc1cc(C)c(C#N)c(SCc2cc(-c3ccccc3)no2)n1 29866957 ZTGTUBKLUKYREA-UHFFFAOYSA-N 321.405 4.517 30 20 DJED CCN(C(=O)c1sccc1C#N)[C@H](C)c1cc2ccccc2o1 52032644 WNBBSLKYZYRSIG-GFCCVEGCSA-N 324.405 4.589 30 20 DJED C=CCSc1ccccc1NC(=O)CSC1CCCCC1 60970599 DIPKIHNOUJCQAB-UHFFFAOYSA-N 321.511 4.969 30 20 DJED CC1(C)Cc2occc2[C@@H](N[C@@H](CCC#N)c2ccccc2)C1 90665674 BCNOWEWRQQHDJX-ROUUACIJSA-N 308.425 4.928 30 20 DJED CCN(Cc1ccccc1C(C)(C)C#N)[C@H](C)c1cccc(O)c1 135242985 VLLSFIUCIDIHHP-MRXNPFEDSA-N 322.452 4.776 30 20 DJED CC(C)(C#N)CCCN[C@H](c1ccccc1)c1cccc(F)c1 154332437 CPVLJLQPRCAGLV-LJQANCHMSA-N 310.416 4.835 30 20 DJED C[C@H](N[C@H](C)c1ccc(OC(F)F)cc1)c1cccc(C#N)c1 174358008 SPGYFQCHEWBQDW-OLZOCXBDSA-N 316.351 4.571 30 20 DJED Cc1nc(CNc2ccccc2S[C@@H](C)CC#N)sc1C 176164066 MRRRBQJFVLEQAN-NSHDSACASA-N 317.483 4.766 30 20 DJED Cc1oc2ccccc2c1CNc1ccccc1O[C@@H](C)C#N 180836534 XZDFDWMHNGNGEM-ZDUSSCGKSA-N 306.365 4.644 30 20 DJED CCCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)c(C)c1 191028875 KFHBHSNKDSRDTA-INIZCTEOSA-N 308.425 4.506 30 20 DJED CC(C)Oc1cccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 192759193 KCVRFLXHCXNEOE-CVEARBPZSA-N 308.425 4.757 30 20 DJED Cc1cc(CNc2ccc(CC#N)cc2)cc(C)c1OC(F)F 237644816 HGKWPMMSCOZGBT-UHFFFAOYSA-N 316.351 4.583 30 20 DJED COc1ccc(Cl)cc1[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 268782848 BHNSMNASAFMOEU-QWHCGFSZSA-N 314.816 4.632 30 20 DJED C=CCOc1ccc(Oc2ccc([N+](=O)[O-])c3cnccc23)cc1 301477910 UNUJPDAQTHPXCG-UHFFFAOYSA-N 322.320 4.500 30 20 DJED Cc1cc(Oc2ccc(Oc3ccc(C#N)cc3)cc2)nc(C)n1 302565817 WHBPTNUGBSBOAP-UHFFFAOYSA-N 317.348 4.550 30 20 DJED CCCCCCCC(=O)N[C@H]1CCSc2c(F)cccc21 302926360 BSYJKDFDHBHKFC-HNNXBMFYSA-N 309.450 4.839 30 20 DJED O=C(/C=C/c1ccccc1Cl)c1c(Cl)nc2sccn12 303834375 AJTWTVBHJJWIPE-AATRIKPKSA-N 323.204 4.599 30 20 DJED CC1(C)CCC(COc2ccc(Br)cc2C#N)CC1 311462396 MHAJRSRDOSXXMA-UHFFFAOYSA-N 322.246 4.916 30 20 DJED Cc1ccc(-c2cccnc2)cc1N=C(O)[C@@H]1CCCCC(O)=N1 330042407 DRLLNWLXYTYLMM-INIZCTEOSA-N 323.396 4.544 30 20 DJED C[C@H](NCc1ccc(CC#N)cc1)c1cc(Cl)ccc1Cl 426156991 OPXXLBGSGULMLH-LBPRGKRZSA-N 319.235 4.910 30 20 DJED C[C@@H](Nc1c(C#N)cccc1C#N)c1ccccc1C(F)(F)F 436387914 RVBQYBZMVGRJPI-LLVKDONJSA-N 315.298 4.622 30 20 DJED N#CCC[C@H](C#N)CN1CCCc2cc(-c3ccccc3)ccc21 440976950 WZNAZUGGQJXRNW-QGZVFWFLSA-N 315.420 4.550 30 20 DJED Cc1csc(-c2cccc(NCc3ccc(C#N)c(C)c3)c2)n1 444000925 AKAPVXSHEZVQNR-UHFFFAOYSA-N 319.433 4.911 30 20 DJED CC#CCCCC(=O)N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C 466254765 YZMNMNGOIZDHPI-LBPRGKRZSA-N 324.251 4.633 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1cc(F)ccc1-c1ccoc1 471052938 LVWFZVFDHOQKBU-UHFFFAOYSA-N 320.323 4.518 30 20 DJED CCc1ccc([C@@H](C)NC(=O)C[C@@H](CC#N)c2ccccc2)cc1 474188768 JMSOAEOFMGKUTJ-OXQOHEQNSA-N 320.436 4.514 30 20 DJED CCCCCOc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1 480786534 PDZWOZWSTKUNSI-QGZVFWFLSA-N 322.452 4.978 30 20 DJED N#C[C@H](NC(=O)C1=CCCCCC1)c1ccc(Cl)c(Cl)c1 481896052 RVTNQBMNFKVOKV-HNNXBMFYSA-N 323.223 4.565 30 20 DJED N#Cc1cc(F)ccc1CSCc1ncc(-c2ccccc2)o1 488553050 KPXNEIRPNJTASG-UHFFFAOYSA-N 324.380 4.786 30 20 DJED N#Cc1cccc(CSc2ccc(C#N)c(C(F)(F)F)c2)c1 499473129 ZCKMRFSJLSTIFT-UHFFFAOYSA-N 318.323 4.741 30 20 DJED C=CCCO[C@@H](C)C(=O)N(c1ccccc1)[C@H](C)c1ccccc1 502780659 LBISYIXODMBPSA-MSOLQXFVSA-N 323.436 4.762 30 20 DJED N#Cc1cccc(CSCCCCC2CCOCC2)c1F 512382968 QOTSKEBPEMMYJL-UHFFFAOYSA-N 307.434 4.527 30 20 DJED CC(C)(CCC#N)CN1CCC(=Cc2cccc(F)c2)CC1 514817509 HQESFMNDTPUNQU-UHFFFAOYSA-N 300.421 4.635 30 20 DJED C=CCN(Cc1ccccc1)C(=O)NC[C@@H](CC)c1ccccc1 520047278 QAYFSRIQHZCNOC-LJQANCHMSA-N 322.452 4.578 30 20 DJED CCCCS[C@H](C)C(=O)Nc1cc(C(C)(C)C)sc1C#N 539172285 GIYUZPHNFPXQSU-LLVKDONJSA-N 324.515 4.778 30 20 DJED C=C(C)[C@H](NCc1ccnc2ccccc12)c1ccc(F)c(F)c1 547820679 VETOJEDHSDJYBE-FQEVSTJZSA-N 324.374 4.920 30 20 DJED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(-c2cccc(C#N)c2)cc1 549544959 RUYZSPHXEZZCAV-XPIZARPCSA-N 315.420 4.568 30 20 DJED C=C[C@@](C)(CCOC)C(=O)Nc1cccc(-c2ccccc2)c1 553682955 RKFMWGNMGDYYKT-FQEVSTJZSA-N 309.409 4.521 30 20 DJED C[C@H](NCc1c(Cl)ccc2cccnc12)c1ccc(C#N)cc1 567525120 XLODUGCQQKJRRC-ZDUSSCGKSA-N 321.811 4.611 30 20 DJED Cc1ccc(OCc2nc(-c3ccc(C#N)cc3)cs2)cc1 587921646 NSBUOLZJSBEABJ-UHFFFAOYSA-N 306.390 4.569 30 20 DJED N#CCc1ccc(NC(=O)C(C2CCC2)C2CCC2)c(Cl)c1 591005556 ZUUXQFJHGQFUAZ-UHFFFAOYSA-N 316.832 4.561 30 20 DJED Cc1oc(C(C)C)cc1C(=O)N(c1ccc(C#N)cc1)C1CCC1 598884181 ZAKSPCHEJBBWCH-UHFFFAOYSA-N 322.408 4.782 30 20 DJED CC[C@@H](CC(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccc(C)cc1 610364757 UKWJVQOHGQDPAH-WMZOPIPTSA-N 320.436 4.628 30 20 DJED C[C@H](Nc1ccc(F)cc1OCC1CC1)c1cccc(C#N)c1 611474731 AYFGOUPNTIHCDH-ZDUSSCGKSA-N 310.372 4.659 30 20 DJED C#Cc1cccc(N(C(=S)Nc2c(C)cccc2C)C(C)C)c1 728226637 HCLCYQMNUXBNRM-UHFFFAOYSA-N 322.477 4.897 30 20 DJED O=C(/C=C/c1ccc(OC(F)F)c(Cl)c1)c1ccc(O)cc1 731488963 XHHFKCSNXQKAKK-LREOWRDNSA-N 324.710 4.543 30 20 DJED CCC(=NNc1nncc2ccccc12)c1ccc(Cl)s1 733201368 SGWLWUDZIWWGAV-UHFFFAOYSA-N 316.817 4.571 30 20 DJED CC1(C)Cc2cccc(/C=C/C(=O)c3ccc(F)c(F)c3)c2O1 737444455 RLFILIRAWWKTLA-VQHVLOKHSA-N 314.331 4.574 30 20 DJED C=CCCCCCN(C)[C@H](C)c1nnc(-c2cccc(C)c2)o1 739932111 WUYICWGHMSZQNF-MRXNPFEDSA-N 313.445 4.784 30 20 DJED Cc1c([C@H](C)OC(=O)c2cccc(CC#N)c2)oc2ccccc12 747034073 PLRNJZPXCHGZIL-AWEZNQCLSA-N 319.360 4.725 30 20 DJED CCCn1nc(C)c(/C=C2\C[C@H](C)c3ccccc3C2=O)c1C 751534097 BIGCMTQVWFRGGJ-HKJJFUAXSA-N 308.425 4.683 30 20 DJED CCc1ccc(C(=O)/C=C\c2cnc(-c3ccccc3)s2)o1 752237916 KDFYSBSARCSGMK-KTKRTIGZSA-N 309.390 4.862 30 20 DJED Cc1cnc([C@H](C)C/N=C/c2c(O)ccc3ccccc23)s1 753993548 GTBAXRSRBVJNDR-ZGXHQARYSA-N 310.422 4.533 30 20 DJED CCCCCCCCCC[C@@H](C)NC(=O)N1CCC(C#N)CC1 758981633 GJMBCRFNTWGIJQ-QGZVFWFLSA-N 321.509 4.851 30 20 DJED CC(C)n1cc(/C=C2\Cc3cc(Cl)cc(Cl)c3C2=O)cn1 764432111 JPNDBTULYUEQTF-KGVSQERTSA-N 321.207 4.593 30 20 DJED C=CC[C@H](N[C@@H](C)c1ccc2ccccc2n1)c1ccncc1 766019736 MVAZYUGVXVDZDM-KXBFYZLASA-N 303.409 4.598 30 20 DJED CCCC[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(OCC#N)cc1 776155367 FBZCJQFEYWZKSM-SZVBFZGTSA-N 300.446 4.598 30 20 DJED O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1cccc(F)c1F 776268765 VDMFFOPAVCLVOW-RMKNXTFCSA-N 312.237 4.880 30 20 DJED CC(C)(C)Oc1c(F)cc(NCc2ccc(C#N)cc2)cc1F 782221517 QBHRJEWGPGQRES-UHFFFAOYSA-N 316.351 4.626 30 20 DJED FCC[C@@H]1CCCC1=NNc1ccc(OCC(F)(F)F)cc1 794902840 WHMXWSSMDSCMLW-NSHDSACASA-N 318.314 4.555 30 20 DJED CCCCCCC[S@](=O)[C@@H](C)c1nccn1-c1ccccc1 806641420 FPHJSJWDJBWXGH-AOMKIAJQSA-N 318.486 4.652 30 20 DJED C[C@H]1/C(=C/c2cn(C)nc2-c2cccs2)C(=O)c2ccccc21 809157362 SGXACTBOTLWXOK-YUSFRKCESA-N 320.417 4.532 30 20 DJED C#Cc1ccc(CN[C@@H]2CCSc3ccc(Cl)cc32)cc1 809603864 XCZLHSLRJCAALO-QGZVFWFLSA-N 313.853 4.648 30 20 DJED C=CCCCCC[C@H](C)Nc1cccc([C@H]2CCC(=O)N2)c1 840883764 HVIWEOPICCIYKK-MAUKXSAKSA-N 300.446 4.575 30 20 DJED Cc1cc(C)c([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c(O)c1 841761323 IIRDCPIWBUCWJC-BEFAXECRSA-N 320.436 4.609 30 20 DJED N#C[C@H](C(=O)/C=C/C1CCCC1)c1nc(-c2ccccc2)cs1 842689268 ZYDAUFLBXRWFTI-SIFUEBAJSA-N 322.433 4.733 30 20 DJED CCc1ccc([C@@H](C)C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)cc1 842940452 ADYQKYRCBILDRW-MLGOLLRUSA-N 324.449 4.563 30 20 DJED C=CCOc1cccc(/C=C\C(=O)c2c[nH]c3ccccc23)c1 915271460 WDDKVRQFKNGAJU-KHPPLWFESA-N 303.361 4.629 30 20 DJED C[C@H]1C[C@H]1c1ccc(C=NNCc2ccc(C(F)(F)F)cc2)o1 915971926 GCOLQWTXSQHBAY-XHDPSFHLSA-N 322.330 4.546 30 20 DJED CCCCCCCCC(=O)N[C@@H]1CCOc2c(F)cccc21 919708444 YGYBLGCRJWCCTP-MRXNPFEDSA-N 307.409 4.516 30 20 DJED CCCCCCCCCC(=O)N1CCC[C@H]1c1ccccn1 919828291 ZKKRAYHKIRWNOO-SFHVURJKSA-N 302.462 4.886 30 20 DJED C[C@H](OC(=O)[C@H](CC#N)c1ccccc1)c1ccc(Cl)cc1 1129680180 UIQQDUUMRFKVRY-SUMWQHHRSA-N 313.784 4.642 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)CC1CCC(F)(F)CC1 1190616695 QBESKOOMGFDJSK-UHFFFAOYSA-N 320.427 4.842 30 20 DJED CC[C@H](c1ccccc1)N(CCc1ccc(C#N)cc1)C(C)C 1307954858 VPDVJVTXQWYGEV-OAQYLSRUSA-N 306.453 4.962 30 20 DJED C=C(CNCc1cc2ccccc2cc1OC)c1ccccc1 1308248719 MHCAEVJSBPIQQZ-UHFFFAOYSA-N 303.405 4.651 30 20 DJED CC[C@H](Nc1ccc(OCC#N)cc1)c1ccc(Cl)s1 1320668964 CEKXLFSHNDVKKM-ZDUSSCGKSA-N 306.818 4.867 30 20 DJED CCc1ccc([C@@H](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 1322895367 WWZQINIZHOBTBV-AWEZNQCLSA-N 317.392 4.517 30 20 DJED Cc1ccc(C#N)cc1C(=O)N1CCCC(C)(C)c2ccccc21 1358085708 KZWRQKPGCVMMPP-UHFFFAOYSA-N 318.420 4.585 30 20 DJED CC[C@@H](C)Oc1ccc(Nc2ccc(Cl)c(C#N)n2)cc1 1458126651 IITAFFACSIOQGN-LLVKDONJSA-N 301.777 4.528 30 20 DJED N#Cc1cccc(OCCN(c2ccc(F)cc2)C2CCCC2)c1 1459716044 GMUJDXBAYSGYIZ-UHFFFAOYSA-N 324.399 4.525 30 20 DJED Cc1cc(C#N)cc(NC(=O)[C@@H](CCc2ccccc2)C(C)C)c1 1525310985 XPVWQKFBORHSAQ-FQEVSTJZSA-N 320.436 4.710 30 20 DJED CCC[C@@H](CC(C)C)C(=O)N(C)c1ccc(C#N)c(Cl)c1 1534659826 WZAPZRKEGAZTFP-ZDUSSCGKSA-N 306.837 4.637 30 20 DJED C[C@@H](c1cc(F)ccc1F)N1CC=C(c2ccc(C#N)cc2)CC1 1616900060 YEPJMVCGKNHWKE-AWEZNQCLSA-N 324.374 4.687 30 20 DJED N#CCC1(CN[C@H](c2c(Cl)cccc2Cl)C2CC2)CC1 1618299790 GKIFBHISRGHSNH-HNNXBMFYSA-N 309.240 4.728 30 20 DJED N#CCc1ccc(CN2CCC[C@@H]2CCCc2ccccc2)cc1 1652899956 MYDRHBOCHIZVNN-QFIPXVFZSA-N 318.464 4.740 30 20 DJED Cc1cccc(C)c1CN(Cc1cccc(C#N)c1F)CC(C)C 1653990445 MQPIRYPXSWKOJQ-UHFFFAOYSA-N 324.443 4.972 30 20 DJED CC[C@H](C)C[C@@H](C)NC(=O)Nc1scc(C(C)(C)C)c1C#N 1671686468 NTZDDKACZXRVFL-NWDGAFQWSA-N 321.490 4.863 30 20 DJED C=Cc1ccc(/C=C2\CCCc3cc(C(=O)O)ccc3C2=O)cc1 1776192941 RFFDNIRYKCYTED-SFQUDFHCSA-N 318.372 4.630 30 20 DJED C=C(C)CN(CC)C(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 47862131 PHVLBJUQIKPWLG-UHFFFAOYSA-N 311.212 4.513 30 20 DJED CCCN(c1ccc(C#N)cn1)[C@H](C)c1cc2ccccc2o1 64916455 QGJUOSDETDVKOM-CQSZACIVSA-N 305.381 4.677 30 20 DJED N#CCCCOc1cccc(NCc2cccc3cccnc23)c1 79724469 BWVVXWPZCIXULP-UHFFFAOYSA-N 317.392 4.529 30 20 DJED CCCCCCCC(=O)Nc1cc(NC(=O)CC)ccc1Cl 105201706 LVMLKOWARXWJML-UHFFFAOYSA-N 324.852 4.988 30 20 DJED C=C(C)CNC(=O)c1sc2cc(Cl)ccc2c1Cl 123093221 LXYWTNRYOGJAON-UHFFFAOYSA-N 300.210 4.514 30 20 DJED CC[C@H](CC#N)NC(=O)c1cc2sc3ccccc3c2s1 183893647 XBPLNBMTSUQQIO-SNVBAGLBSA-N 314.435 4.538 30 20 DJED N#CCCCOc1cccc(NCc2ccc(Cl)cc2F)c1 186751146 FWAOCQYJNNJNBZ-UHFFFAOYSA-N 318.779 4.774 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@@H](C)c1ccc(C#N)cc1 195614523 PCKCOAIRWLITCQ-KSSFIOAISA-N 308.425 4.824 30 20 DJED COc1ccc2cc(/C=C\C(=O)c3cccc(C#N)c3)ccc2c1 206977412 WNNWSPUZPCIXCD-POHAHGRESA-N 313.356 4.616 30 20 DJED CC(C)CCC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 303376649 UTYAEYACCIADBD-UHFFFAOYSA-N 308.381 4.725 30 20 DJED CC1(C)CCCC[C@H]1C(O)=Nc1nc(C2CCOCC2)cs1 329223373 XYBRBQRVAXTTHN-ZDUSSCGKSA-N 322.474 4.842 30 20 DJED CC(C)(C)C1CCC(C/N=C(/O)C[C@H]2CCCC(O)=N2)CC1 329625293 GJKRPTRHCWQJBU-YMAMQOFZSA-N 308.466 4.695 30 20 DJED CC[C@@H](N[C@H]1CCCc2ccc(C)cc21)c1ccc(C#N)cc1 352612096 MREMKMKAWCZGMP-RTWAWAEBSA-N 304.437 4.985 30 20 DJED C=CCC[C@H](NC(=O)NCc1cscc1C)c1ccccc1 425915695 DNPKMUBLPJHUSB-KRWDZBQOSA-N 314.454 4.563 30 20 DJED Cc1cc(C)c(NC(=O)[C@H](C)Sc2ccccc2C#N)c(C)c1 439721816 SZGODTCJNGKONS-HNNXBMFYSA-N 324.449 4.603 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2cccc(C)c2F)CCCC1(C)C 444930421 CIWRYCVDYSGVBV-HNNXBMFYSA-N 304.409 4.733 30 20 DJED CC[C@@H](Nc1cc(F)ccc1OC(F)F)c1ccc(C#N)cc1 447599569 KKNPEDAKUUMGRE-CQSZACIVSA-N 320.314 4.862 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(-c2nc(C)cs2)cc1 467831709 VZQIKDVPOWWCLX-UHFFFAOYSA-N 312.438 4.825 30 20 DJED N#Cc1ccc(F)cc1CSCc1cc(-c2ccccc2)no1 469357047 SJHZCNQYGRINCR-UHFFFAOYSA-N 324.380 4.786 30 20 DJED Cc1cccc(C(N[C@@H]2CC[C@@H](C#N)C2)c2cccc(C)c2)c1 471597781 HGYUOQLEMSHBFC-YLJYHZDGSA-N 304.437 4.675 30 20 DJED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)Cc1ccc(C#N)cc1 477702616 NBDCGZFBTJYVEV-ZDUSSCGKSA-N 318.342 4.770 30 20 DJED CC(C)c1ccc([C@@H]2CCCCN2C(=O)c2ccc(C#N)o2)cc1 494089838 RUQVQFOTBKRGNM-SFHVURJKSA-N 322.408 4.642 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(F)c1 513848464 IBJNBBZECKKAIT-UHFFFAOYSA-N 324.808 4.761 30 20 DJED C=CCN(Cc1cccs1)C(=O)C[C@H](C)c1cccc(F)c1 522513085 BPJGYKAFAWBBKE-AWEZNQCLSA-N 317.429 4.596 30 20 DJED C=CCN(C(=O)Nc1ccccc1SC1CCCC1)C1CC1 536750616 PILIWEYWNHQAQH-UHFFFAOYSA-N 316.470 4.904 30 20 DJED C=CCN(C(=O)c1cc(-c2ccc(F)cc2)c(C)s1)C1CC1 537931215 HGWLLRWBSVLULQ-UHFFFAOYSA-N 315.413 4.653 30 20 DJED N#CCSCCCN[C@H](c1ccc(Cl)cc1)C1CCCC1 538207527 FTZAHVCBRXQMFF-KRWDZBQOSA-N 322.905 4.808 30 20 DJED C[C@@H](N[C@@H]1CC(C)(C)Oc2cc(F)ccc21)c1cccc(C#N)c1 538405831 GBHKTWZRDIBIIH-FZKQIMNGSA-N 324.399 4.650 30 20 DJED C=CC[C@H](C)N[C@H]1CCCc2nc(-c3ccccc3F)sc21 540169601 FKVGSKVAADBNIL-WFASDCNBSA-N 316.445 4.881 30 20 DJED CC(C)Oc1ccc2ccccc2c1CN(C)CC(C)(C)C#N 552085266 XHSGEEOZAXITJV-UHFFFAOYSA-N 310.441 4.609 30 20 DJED CSc1cc(-c2cc(CC#N)ccc2OC(C)C)ccc1N 596645698 HPWIHAUYDPZEQV-UHFFFAOYSA-N 312.438 4.511 30 20 DJED C=CCCCCCN(C)Cc1coc(-c2cccc(F)c2)n1 606902237 CLPHIBQDBNJBOK-UHFFFAOYSA-N 302.393 4.659 30 20 DJED C=CCCCCCN(C)Cc1coc(-c2ccc(F)c(F)c2)n1 606902267 OCCHTTRVDMOITI-UHFFFAOYSA-N 320.383 4.798 30 20 DJED CC(C)(C)n1cc(C#N)cc1NC(=O)c1cc2ccccc2s1 609358386 LREDUFDETRFNOY-UHFFFAOYSA-N 323.421 4.582 30 20 DJED CCC[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccsc1 619755725 QPQNHYVNWIXJCC-MRXNPFEDSA-N 304.846 4.904 30 20 DJED C=CCN(C(=O)c1sc2cc(C)ccc2c1Cl)C1CC1 678499739 OWHKLEMMJBRFMS-UHFFFAOYSA-N 305.830 4.654 30 20 DJED C=C(C)[C@H](NCc1ccc2cnccc2c1)c1ccc(F)c(F)c1 683774914 RPAXFTCNPGXPHL-FQEVSTJZSA-N 324.374 4.920 30 20 DJED CC(C)Oc1ccccc1C=NNc1ccc(OC(F)F)cc1 726426812 ILQMPCKSRFQSGU-UHFFFAOYSA-N 320.339 4.521 30 20 DJED C#CCCOc1ccc(CN[C@H](CCC)c2ccccc2)cc1 733323397 YNZXJFNPKPPPNC-OAQYLSRUSA-N 307.437 4.720 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C=C1CCC(C)CC1 734101180 MKGNQGQSBKJYTH-UHFFFAOYSA-N 324.468 4.679 30 20 DJED Cc1ccc([C@H]2CCCC2=NNc2cnnc3ccccc23)cc1 741842551 LHIPLCMTXOOTPX-MRXNPFEDSA-N 316.408 4.674 30 20 DJED Oc1ccc2ccccc2c1/C=N\Cc1cccc2cccnc12 745012138 GSPYVNHFIGLRGP-HMAPJEAMSA-N 312.372 4.713 30 20 DJED Clc1ccccc1CNN=Cc1csc(Cl)c1Cl 761799486 JOIVYXGOLNCEOA-UHFFFAOYSA-N 319.644 4.832 30 20 DJED CC(C)(C)[C@H](C#N)OC(=O)Cc1coc2ccc3ccccc3c12 765630195 TUODGNYELBASSK-KRWDZBQOSA-N 321.376 4.610 30 20 DJED CCC(=NNc1ccc(C#N)cc1)c1c(F)cccc1Cl 767771898 LZFZQURDYVODJQ-UHFFFAOYSA-N 301.752 4.577 30 20 DJED C[C@H](CC(=O)OCCCCC(C)(C)C#N)c1cccc(F)c1 768693783 GQQJENAKRRUNCE-CQSZACIVSA-N 305.393 4.583 30 20 DJED N#Cc1cc(/C=C\C(=O)c2cc(Cl)ccc2Cl)ccc1F 770568569 FUVAPSIPBBQRLO-KXFIGUGUSA-N 320.150 4.900 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)o2)c(F)c1 772801200 KOYCOEUTHXQKFJ-CMDGGOBGSA-N 317.319 4.853 30 20 DJED C[C@]1(c2ccccc2)CCC(=NNc2nncc3ccccc23)C1 780189344 XSWRTICSMSKEJG-FQEVSTJZSA-N 316.408 4.540 30 20 DJED Cc1ccnc(NN=Cc2c(Cl)cccc2SC(C)C)c1 786039152 ZUSHOEHWXWLBIK-UHFFFAOYSA-N 319.861 4.990 30 20 DJED C[C@H](CC1CCCCC1)N[C@H](C)c1ccc(OCC#N)cc1 786951281 BDTAUZREHKQZFL-HZPDHXFCSA-N 300.446 4.598 30 20 DJED CC(/C=C/C(=O)c1ccccc1F)=C\c1cccc([N+](=O)[O-])c1 787169186 NQLBLRWIQOPDSO-SNMPHBPQSA-N 311.312 4.576 30 20 DJED COc1ccc(-c2nc(/C=C\C(=O)c3ccccc3)cs2)cc1 796969326 RMNOWMYSNLAKCG-XFXZXTDPSA-N 321.401 4.715 30 20 DJED Cc1ccc(/C=C\C(=O)c2ccc(C)s2)c(-c2cnn(C)c2)c1 802704369 QGTRBEZCBSITTR-FPLPWBNLSA-N 322.433 4.662 30 20 DJED CCOc1ccccc1C=NOCc1cccc(C(F)(F)F)c1 849795991 NOPMMSLKRGDLOI-UHFFFAOYSA-N 323.314 4.655 30 20 DJED C[C@H](CC(C)(C)C#N)OC(=O)c1cc(Cl)sc1Cl 851214550 RWWHJGZLRMPFFX-SSDOTTSWSA-N 306.214 4.540 30 20 DJED O=C(/C=C\c1ccc(F)c(Br)c1)c1ccc(F)cc1 916135683 HKHUWFNQKLRDLG-WAPJZHGLSA-N 323.136 4.623 30 20 DJED CCCC(=NNc1ccc(Cl)c(C(=O)O)c1)c1ccccc1 916581818 VBYLEENGUMWDND-UHFFFAOYSA-N 316.788 4.655 30 20 DJED CC(CCc1cccc(C)c1)=NNc1ncccc1C(F)(F)F 920372176 BQPNYESFSWMWEI-UHFFFAOYSA-N 321.346 4.829 30 20 DJED CC[C@@H](OC(=O)CC(C)(C)C#N)c1c(Cl)cccc1Cl 1126905294 MPYCFIBUSZLVTF-GFCCVEGCSA-N 314.212 4.928 30 20 DJED Cc1cc(C)c2nc(N(C)[C@@H](C)c3cccc(C#N)c3)sc2c1 1163558542 BTGWRXTVVUAOSL-AWEZNQCLSA-N 321.449 4.982 30 20 DJED N#C[C@H](c1ccccc1)N1CCC(CCc2ccccc2)CC1 1176193668 UCEDRVQHNFWOEB-OAQYLSRUSA-N 304.437 4.596 30 20 DJED CC[C@@H](C)Oc1cc(CNc2cc(C)cc(C#N)c2)ccc1OC 1202805169 OPBBFGXNNGICRG-OAHLLOKOSA-N 324.424 4.665 30 20 DJED N#Cc1ccc(C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 1203921816 CHKZLYJCTVBNGC-UHFFFAOYSA-N 310.828 4.591 30 20 DJED CSc1ccc(NC[C@@H](C)CCC#N)cc1Br 1206720473 IHLBZNSQKPAAOB-JTQLQIEISA-N 313.264 4.523 30 20 DJED Cc1c(C#N)c(SCc2cccc(Cl)c2)nc2c1CCC2 1307272089 HWOCEBJMARLOSI-UHFFFAOYSA-N 314.841 4.696 30 20 DJED Cc1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)c2ccccc12 1354058160 MVSOMDIIANQXEW-UHFFFAOYSA-N 320.779 4.926 30 20 DJED CCC(CC)CN(CCC#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 1443565393 WKYZVQOAPXFZMQ-GBESFXJTSA-N 318.505 4.771 30 20 DJED C[C@H]1CC(C)(C)c2cccc(NC(=O)c3ccc(CC#N)cc3)c21 1462950288 QOYPLVPJMROPHC-AWEZNQCLSA-N 318.420 4.790 30 20 DJED CCn1c(S[C@@H](C)c2cccc(C#N)c2)nc2ccccc21 1472906533 NJHDRVJKFBCQOW-ZDUSSCGKSA-N 307.422 4.781 30 20 DJED Cc1cc(CN[C@H](C)c2cc(Cl)ccc2F)ccc1C#N 1474093238 CPAOBEYZDCVIEQ-GFCCVEGCSA-N 302.780 4.510 30 20 DJED CCN(CC(Cc1ccccc1)Cc1ccccc1)C[C@@H](C)C#N 1474376421 MKQAWKJPEFEWDB-IBGZPJMESA-N 320.480 4.570 30 20 DJED Cc1sc(NC(=O)c2ccc(CC(C)C)s2)c(C#N)c1C 1522969473 LSGMCDNJSBESEZ-UHFFFAOYSA-N 318.467 4.749 30 20 DJED CCC1(C(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@H]3C)CCC1 1527032812 UEESDHOGEMNKPN-VXGBXAGGSA-N 316.470 4.824 30 20 DJED CCc1ccc(CCSc2nc3c(cc2C#N)CCCC3)cc1 1559354998 LMSVWYNREJFOCO-UHFFFAOYSA-N 322.477 4.729 30 20 DJED Cc1ccccc1[C@H](Nc1ccnc(C#N)n1)[C@H]1CCC[C@@H](C)C1 1611961522 GPIZBNIMXMNLDV-PTSWNOGYSA-N 320.440 4.636 30 20 DJED Cc1ccc(C[C@H](C)N(C)c2nc(C(C)(C)C)ccc2C#N)cc1 1612006912 IKGMLTMSJVRPNE-INIZCTEOSA-N 321.468 4.627 30 20 DJED COc1cccc([C@@H](C)Sc2nc(C)c(C#N)cc2Cl)c1 1612112708 SOHGMQQXWKQRTH-LLVKDONJSA-N 318.829 4.777 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1cccc(C2CC2)c1 1620962495 HFNLWHFHSBIXAN-UHFFFAOYSA-N 306.409 4.835 30 20 DJED Cc1c(Cl)cnc(N2CC[C@@H](C(C)(C)C)C[C@H]2C)c1C#N 1639985340 KRCUTRIQURHHND-DGCLKSJQSA-N 305.853 4.566 30 20 DJED CCc1ccc([C@H]2C[C@H](C)CCN2Cc2ccc(C#N)s2)o1 1641888076 ZKHQCIAEQDGJCM-CXAGYDPISA-N 314.454 4.748 30 20 DJED N#Cc1ccc(CN(Cc2ccccc2C2CC2)C2CC2)cc1 1642388766 QOZBHQVNLBNHGI-UHFFFAOYSA-N 302.421 4.600 30 20 DJED Cc1ccnc(N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)c1C#N 1642798371 ZWCMFESZBJMGHS-GOEBONIOSA-N 311.816 4.663 30 20 DJED N#Cc1nc(N[C@H]2C[C@H](c3cccc(Cl)c3)C2)ccc1Cl 1651022735 KNXCCQUFPNFGHB-AULYBMBSSA-N 318.207 4.618 30 20 DJED Cc1ccc([C@@H]2CCCCN2Cc2cccc(F)c2C#N)cc1 1651994861 XVSSSWVKCITDER-FQEVSTJZSA-N 308.400 4.733 30 20 DJED CCC(CC)(CC)CNCc1cc(C#N)ccc1Br 1656883099 SPDLRVQFFMCROH-UHFFFAOYSA-N 323.278 4.627 30 20 DJED C[C@H](N[C@H]1CSC[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 1658829913 KZSHCOLDZWKIEK-SIFCLUCFSA-N 322.477 4.627 30 20 DJED CC(C)CC[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)C(C)(C)C 1666728643 FWYCIDCAHIHYNK-INIZCTEOSA-N 319.424 4.670 30 20 DJED CC(C)[C@H]1CN(C(=O)Nc2cccc(CC#N)c2)c2ccccc21 1671984836 ZSWNWZXMIAZECF-GOSISDBHSA-N 319.408 4.544 30 20 DJED CC(C)[C@H]1/C(=C\c2cc(C(=O)O)ccc2F)C(=O)c2ccccc21 1776308631 IRXVNAMFGCXMDZ-GANRHZMWSA-N 324.351 4.543 30 20 DJED CC[C@H](C)c1ccc(C(=O)/C=C/c2cc(C(=O)O)cs2)cc1 1776699950 JTURPIUHKOMHCA-BCPZQOPPSA-N 314.406 4.856 30 20 DJED CCCCCCC[C@H](CC(=O)O)NC[C@@H]1C(C)=CCC[C@H]1C 1776783315 OTCNMFRFJKMODX-KZNAEPCWSA-N 309.494 4.772 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1ccc(SC)cc1 43857595 QQJBYMDVLJBKLX-UHFFFAOYSA-N 318.467 4.690 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)cc1F 96861767 HHCIENNLDCZNNG-YWEYNIOJSA-N 324.273 4.749 30 20 DJED Cc1ccc2oc(C(=O)N[C@@H](CCC#N)c3ccccc3)cc2c1 153505361 JCSPWPBMHLAQIE-KRWDZBQOSA-N 318.376 4.516 30 20 DJED CCOc1ccccc1OCCSCCCC(C)(C)C#N 161889058 FHDCSGIPUKFAKG-UHFFFAOYSA-N 307.459 4.527 30 20 DJED C[C@@H](Sc1ccccc1C#N)c1nc(-c2cccs2)no1 172682236 VFFGSWMFHMCBJI-SNVBAGLBSA-N 313.407 4.523 30 20 DJED Cc1ccc(C(C)(C)C)cc1[S@](=O)CCCC(C)(C)C#N 177073501 YPSFYKSNPWMKLM-OAQYLSRUSA-N 305.487 4.730 30 20 DJED C[C@@H](c1cccc(Cl)c1)N(C)Cc1cc(F)ccc1C#N 229957910 BHHZETQBZRIKOV-LBPRGKRZSA-N 302.780 4.544 30 20 DJED C=CCC[C@H](N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccco1 286026357 IYLYEMPBNHNGHX-WSTZPKSXSA-N 311.425 4.797 30 20 DJED C[C@H](C#N)Oc1ccccc1NC(=O)CCCCC(C)(C)C 287943186 RQMUPWGVQJLSRJ-CQSZACIVSA-N 302.418 4.522 30 20 DJED C[C@H](Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(C#N)cc1 301616196 VQMICSKHWVNBAC-LBPRGKRZSA-N 323.396 4.994 30 20 DJED C=C(C)CN(CC)C(=O)CCCSc1ccc(Cl)cc1 301993724 DBDFXSXLTZHQPS-UHFFFAOYSA-N 311.878 4.637 30 20 DJED C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)c1ccc(C#N)cc1 303671917 GQELFDOTDULVKJ-JTQLQIEISA-N 313.813 4.941 30 20 DJED CC(O)=Nc1ccc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)cc1 328987570 HJPJIBZFHMEKQS-FHLIZLRMSA-N 314.429 4.840 30 20 DJED C[C@@H]1CC[C@@H](CC(O)=Nc2csc(-c3ccccn3)n2)C1 329671669 UDIPWGQDESEVJI-VXGBXAGGSA-N 301.415 4.619 30 20 DJED N#CC1(CCN(Cc2cccnc2)Cc2ccco2)CCCCC1 411438245 BRZVDDMUIMXDBY-UHFFFAOYSA-N 323.440 4.541 30 20 DJED Cc1cc2cc([C@H](C)NCc3ccc(C#N)s3)oc2cc1C 421880981 OPWIVBIKQJKUGK-ZDUSSCGKSA-N 310.422 4.834 30 20 DJED C[C@H](NC1CCC(C)(C#N)CC1)c1nc(C(C)(C)C)cs1 449130060 XDYKYLMHUBFHJW-POZPTJLLSA-N 305.491 4.564 30 20 DJED N#Cc1cc(F)ccc1N1CCc2c(ccc(Cl)c2Cl)C1 462793737 UTIFKDXHFFMJNP-UHFFFAOYSA-N 321.182 4.567 30 20 DJED C=CCOc1cccc(CN[C@@H](C)c2ccc(SC)cc2)c1 466412541 RUURWAZHWHUSQH-HNNXBMFYSA-N 313.466 4.824 30 20 DJED Cc1cc(Cl)ccc1NC(=O)c1ccc(C(C)(C)C#N)cc1 474418048 WNNUWXAECHGRCG-UHFFFAOYSA-N 312.800 4.702 30 20 DJED C=CCCCSCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 476128661 CKAAUVVUUSLYJT-CYBMUJFWSA-N 311.878 4.559 30 20 DJED C=C(C)[C@@H](N[C@@H]1CCc2c(F)cccc21)c1ccc(F)c(F)c1 480677383 QNJCURIMJCOGJC-RTBURBONSA-N 317.354 4.998 30 20 DJED C=CCC[C@H](C(=O)N[C@H]1CCC[C@@H](SC)C1)c1ccccc1 488972742 DYEPGEZUMGMENS-KSZLIROESA-N 317.498 4.527 30 20 DJED C=CC[C@H](C(=O)N(C)c1ccccc1SC)c1ccccc1 489705589 BEPCRWGOOBBVOZ-INIZCTEOSA-N 311.450 4.731 30 20 DJED C=CCC[C@H](NC(=O)N(CC)C1CCCC1)c1ccccc1 500189576 UPPHXUWSDFRTAN-SFHVURJKSA-N 300.446 4.668 30 20 DJED C=CCC(C)(C)c1noc(-c2ccnc(Oc3ccccc3)c2)n1 556364819 HSEVMWQUSASNJN-UHFFFAOYSA-N 321.380 4.778 30 20 DJED CC(C)(C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 567312310 MMULADQCWLZYEY-UHFFFAOYSA-N 304.459 4.653 30 20 DJED N#CCCCCN[C@@H](c1ccccc1F)[C@H]1C[C@H]2CC[C@H]1C2 568302497 CRSUKGJPEIEFCT-MRHSLFKSSA-N 300.421 4.586 30 20 DJED Cc1ccccc1-c1noc([C@@H](C)SCC2(C#N)CCC2)n1 574428323 BUPCZBYUCRABPT-CYBMUJFWSA-N 313.426 4.533 30 20 DJED CCc1ccccc1NC(=O)[C@@H](C)Sc1ccc(C#N)c(C)c1 578192413 PJBRDBJVJSMMPV-CQSZACIVSA-N 324.449 4.548 30 20 DJED CCCCN(C(=O)c1cccc(CC#N)c1)[C@H]1CCC[C@H](C)C1 578930804 LZDVZBSGLNSVQH-LPHOPBHVSA-N 312.457 4.574 30 20 DJED N#CCCCCCC(=O)N1CCC[C@@H]1CCC1CCCCC1 588652305 KQARBVGDBQHFRS-GOSISDBHSA-N 304.478 4.812 30 20 DJED C[C@H]1CCc2c(sc(NC(=O)CC3CCCCC3)c2C#N)C1 602755483 HNOGJHOXZIWICR-LBPRGKRZSA-N 316.470 4.653 30 20 DJED C[C@@H](CC(=O)N(CCC#N)c1ccc(F)cc1)CC(C)(C)C 604455783 SAAOUZVCMQFKHW-AWEZNQCLSA-N 304.409 4.535 30 20 DJED CCCCc1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1 609053105 LEBXPTYBBUVPRU-UHFFFAOYSA-N 324.449 4.703 30 20 DJED CCC[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609434216 DXHRTZDNRXNWNF-CQSZACIVSA-N 323.396 4.661 30 20 DJED CCC(CC)c1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)on1 611393560 XBHLTEIUTZOELN-LJQANCHMSA-N 323.440 4.617 30 20 DJED C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccccc1C(C)(C)C#N 611554131 FIIDGKLSVFJVJJ-DZGCQCFKSA-N 324.390 4.651 30 20 DJED CC1(C)C[C@H](NCc2ccc(C#N)c(Cl)c2)c2ccccc21 619754685 HXLXINZSFRANMS-SFHVURJKSA-N 310.828 4.724 30 20 DJED C=CCCC1(C(=O)N(C)c2nc3c(Cl)cccc3s2)CC1 649965001 ZQWAXYDWJBAYKM-UHFFFAOYSA-N 320.845 4.659 30 20 DJED CCCCc1ccc(C(=O)/C=C\c2c(C)nn(CC)c2C)cc1 727974591 NIRNWUJTZXHVFW-YPKPFQOOSA-N 310.441 4.759 30 20 DJED C[C@H](/N=C/c1cc(Cl)ccc1O)c1nc2ccccc2s1 734097116 YVDPKQNNODZBCU-NTOSSWPYSA-N 316.813 4.835 30 20 DJED O=C1/C(=C\c2csc(-c3ccc(F)cc3)n2)Oc2ccccc21 742437956 YARMJDWDALLULU-CXUHLZMHSA-N 323.348 4.565 30 20 DJED C=CCOC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 744042119 IRXUGRFXUPKJIE-UHFFFAOYSA-N 324.163 4.524 30 20 DJED COc1cc(C(=O)/C=C\c2c(F)cccc2F)ccc1SC 747614583 IQYGFBJPZWDRBM-FPLPWBNLSA-N 320.360 4.591 30 20 DJED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCC3CCC3)n2)cc1 750686409 FARVZZKMUPPXSF-INIZCTEOSA-N 324.449 4.875 30 20 DJED Cc1cc(/C=C2\Cc3cc(Cl)ccc3C2=O)cnc1Cl 760264845 MZNNSPPLEOMRMB-LFYBBSHMSA-N 304.176 4.519 30 20 DJED CC(C)(C)[C@H](C#N)OC(=O)c1sc2ccccc2c1Cl 765630447 QWWFOQJRIKOJTP-NSHDSACASA-N 307.802 4.650 30 20 DJED Cc1nc(C(C)(C)C)sc1C(=O)OCCCCC(C)(C)C#N 768648589 LDAIWJAMTONRNM-UHFFFAOYSA-N 322.474 4.626 30 20 DJED CC(C)(C#N)OC(=O)c1cc2sc3ccccc3c2s1 779226560 WXJWGAIAYPHHNH-UHFFFAOYSA-N 301.392 4.575 30 20 DJED C[C@H](C#N)Oc1ccccc1N[C@@H]1CC[C@H](Cc2ccccc2)C1 783291508 PXQXNXCFZBCHIV-BHIYHBOVSA-N 320.436 4.801 30 20 DJED Cc1cc(C)c(C#N)c(SCc2ccc(Cl)nc2Cl)n1 788097446 KJRCGVXVLFJXPQ-UHFFFAOYSA-N 324.236 4.564 30 20 DJED CCCCCCCC[C@@H](C)CC(=O)N1CCC[C@@](C)(O)CC1 792594276 NZRNZMSNYCCHQJ-IEBWSBKVSA-N 311.510 4.527 30 20 DJED C=CCC[C@H](NC[C@@H](O)c1cc2ccccc2o1)c1ccccc1 815083562 RQHQUXJALKZPHG-RBUKOAKNSA-N 321.420 4.763 30 20 DJED O=C(/C=C/c1cccc(C(F)(F)F)c1)c1cc(F)ccc1F 916134662 MJRVMAHMAPSIFA-QPJJXVBHSA-N 312.237 4.880 30 20 DJED Cc1ccc(C(=O)/C=C/c2c(F)cccc2Cl)cc1[N+](=O)[O-] 916138426 ICVYYRRQTNYVBS-BQYQJAHWSA-N 319.719 4.592 30 20 DJED CC(C)c1ccc(C(=O)/C=C\c2csc([N+](=O)[O-])c2)cc1 917143028 VAINDEBKPJWUHV-BAQGIRSFSA-N 301.367 4.676 30 20 DJED O=C(/C=C\c1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1 917517179 KRXQIHLYXFXKJR-BHQIHCQQSA-N 322.147 4.798 30 20 DJED COc1ccc(C(=O)/C=C/c2ccc(Cl)c(F)c2)c(F)c1 921259397 QFKOLHWFLHDCQF-XVNBXDOJSA-N 308.711 4.523 30 20 DJED Cc1cccc(-c2nsc(N[C@@H](C)c3cccc(C#N)c3)n2)c1 1164120279 QDMTZPJENNZMKP-ZDUSSCGKSA-N 320.421 4.558 30 20 DJED CC(C)CN(CCC#N)CC(c1ccccc1)c1ccccc1 1180403493 LJNGKUUBENPVIO-UHFFFAOYSA-N 306.453 4.690 30 20 DJED N#Cc1c(F)cccc1N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 1186176433 YETKZGCZFJTVPD-YVWKXTFCSA-N 320.411 4.860 30 20 DJED CC(C)CN(C(=O)C[C@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 1264412467 FUDHFUFSAWXGTC-FUHWJXTLSA-N 312.457 4.764 30 20 DJED CC(C)(C)C1CCC(CNC(=O)Nc2sccc2C#N)CC1 1310957312 XZRXJDVSUJXCTK-UHFFFAOYSA-N 319.474 4.594 30 20 DJED CCCCCCCC(=O)Nc1cccc(CN2CCCC2)c1 1317860651 UYFWIUFNERFALG-UHFFFAOYSA-N 302.462 4.581 30 20 DJED CCc1ccc(-c2nc(CSCCCC#N)cs2)cc1 1343547716 MVQUFLIGFBVWST-UHFFFAOYSA-N 302.468 4.909 30 20 DJED C[C@H]1CCCC[C@@H]1C(=O)N(Cc1ccco1)c1ccccc1C#N 1354099531 OBLDXQASELQZHN-YJBOKZPZSA-N 322.408 4.511 30 20 DJED CCC[C@H](C(=O)N(CC(C)C)c1ccc(C#N)cc1)C(C)C 1358199233 QATCSPPFKBLOIH-SFHVURJKSA-N 300.446 4.620 30 20 DJED CC(C)c1ccc(C[C@@H](C)Nc2ccc(Cl)c(C#N)n2)cc1 1458259408 BEUBYZNSCGUUKT-CYBMUJFWSA-N 313.832 4.773 30 20 DJED CCC[C@@H]1CCC[C@H]1C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 1533970425 PZICKOGOCQKRDQ-ATZDWAIDSA-N 312.457 4.684 30 20 DJED N#Cc1cccc(Sc2nc(C3CCCCC3)ns2)c1 1559130757 UMPLSSYBWKHQLM-UHFFFAOYSA-N 301.440 4.609 30 20 DJED C[C@H](CCc1ccccc1)Sc1nc2c(cc1C#N)CCCC2 1559355094 OCLMMKDRKNDTTO-OAHLLOKOSA-N 322.477 4.945 30 20 DJED N#Cc1ncccc1SCc1cc(Cl)sc1Cl 1559412363 IOHRKNSYRBVPIG-UHFFFAOYSA-N 301.223 4.614 30 20 DJED CCC[C@H](NCc1cc(C#N)ccc1Br)C(C)(C)C 1559843741 NEYRLRSPDOSKQH-HNNXBMFYSA-N 323.278 4.625 30 20 DJED CC(C)CN(CCc1ccc(F)cc1)Cc1ccc(CC#N)cc1 1641622019 XSYOXTRWGPVINA-UHFFFAOYSA-N 324.443 4.592 30 20 DJED COc1cccc(CSCc2ccc(Cl)cc2C#N)c1 1643664900 MOAGISADHNTMPZ-UHFFFAOYSA-N 303.814 4.654 30 20 DJED Cc1c(Cl)cnc(NCc2csc3ccccc23)c1C#N 1651380111 XMOUYLJCESGHTH-UHFFFAOYSA-N 313.813 4.742 30 20 DJED CCN(CCOc1cccc(C#N)c1)c1ccc2ccccc2c1 1652735523 ZHKPHXQRFHRQNO-UHFFFAOYSA-N 316.404 4.617 30 20 DJED CCCC[C@H](CCC)Nc1nccc(Oc2cccc(C#N)c2)n1 1655219816 PLOHBPGBEHRTJU-INIZCTEOSA-N 324.428 4.911 30 20 DJED N#Cc1nc(N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)sc1Cl 1655443739 UOGPZTJSAWLMDI-PWSUYJOCSA-N 321.808 4.555 30 20 DJED CC(C)C[C@@H](Cc1cccc(Cl)c1)NCC(C)(C)CC#N 1664966954 PZKMWOAUIAQNLM-KRWDZBQOSA-N 306.881 4.827 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1sccc1Cl 1776786841 SQWMHMKKFOFCIT-GFCCVEGCSA-N 317.882 4.695 30 20 DJED Cc1c(C(=O)Nc2ccc(C#N)c(Cl)c2)oc2ccccc12 7804186 NKFBIBFARRWGTC-UHFFFAOYSA-N 310.740 4.519 30 20 DJED CN(C(=O)c1cc2c(s1)CCCCCC2)c1cccc(C#N)c1 63325378 VKYULNJBQVWKNM-UHFFFAOYSA-N 324.449 4.555 30 20 DJED Cc1ccc2c(Cl)c(C(=O)N[C@H](C#N)C(C)(C)C)sc2c1 85437182 NVVHIIRBKIIQSJ-GFCCVEGCSA-N 320.845 4.531 30 20 DJED CC(C)(C)c1cc(NC(=O)CCc2ccsc2)c(C#N)s1 154291974 JUOJSBMYHVRIAW-UHFFFAOYSA-N 318.467 4.550 30 20 DJED C[C@H](C#N)Oc1ccc(CNCc2ccc(C(C)(C)C)cc2)cc1 237576565 GAEBKARVFGIPCK-MRXNPFEDSA-N 322.452 4.565 30 20 DJED CC(C)n1cc(/C=C\C(=O)c2cc(Cl)sc2Cl)cn1 255834258 JIOVKRDWSVWBCA-ARJAWSKDSA-N 315.225 4.728 30 20 DJED C=CCN(Cc1cccs1)C(=O)C(C)(C)c1ccccc1C 448132343 KMRDVNIBBPCFPU-UHFFFAOYSA-N 313.466 4.549 30 20 DJED CC1(C#N)CCC(NCC2(c3ccc(F)cc3Cl)CC2)CC1 449203211 HEINFELPAOMIEY-UHFFFAOYSA-N 320.839 4.573 30 20 DJED CC[C@@H](CC#N)NC(=O)Nc1ccc(Oc2cccc(C)c2)cc1 460130977 ZDYODDWCMVLHNN-HNNXBMFYSA-N 323.396 4.601 30 20 DJED Cc1nc(N2CC(C)(C)[C@H]2c2cccs2)c(Cl)cc1C#N 461883637 OEQFSAIFSSHFHE-CQSZACIVSA-N 317.845 4.564 30 20 DJED C=CCCC(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 468340187 FTRVPTAIBKIXHL-SFHVURJKSA-N 317.791 4.651 30 20 DJED C=CCCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 479555780 OZZZNINVZMTAJZ-UHFFFAOYSA-N 312.240 4.841 30 20 DJED CC[C@H](CN(CC)C(=O)C1(C#N)CCCCC1)c1ccccc1 482251644 ZHIQFPPXVJJGKA-QGZVFWFLSA-N 312.457 4.503 30 20 DJED Cc1nc(SCc2cccc(C#N)c2F)[nH]c1-c1ccccc1 488223088 ZEUZDOXWYJFAIR-UHFFFAOYSA-N 323.396 4.688 30 20 DJED C=CC[C@@H](C(=O)N1CC[C@@H](c2ccccc2F)C1)c1ccccc1 502148732 NNNAMDHRCMYEHE-IEBWSBKVSA-N 323.411 4.502 30 20 DJED CN(CCc1cccc2ccccc12)Cc1ccc(C#N)cc1F 507305931 PJNOQYDINCYDPR-UHFFFAOYSA-N 318.395 4.525 30 20 DJED C=CC[C@@H](C)[C@H](C)Nc1ccc(NC(=O)CC(F)(F)F)cc1 511020565 WTKKLGYRMUEHJH-NEPJUHHUSA-N 314.351 4.590 30 20 DJED Cc1nnc(SCc2cc(Cl)ccc2Cl)c(C#N)c1C 511848446 VVJBJBDPDNKUQO-UHFFFAOYSA-N 324.236 4.564 30 20 DJED CCc1cccc2c1OCC[C@H]2Nc1ccc(C#N)c(Cl)c1 518364473 BFKBKMUEFAAXFI-QGZVFWFLSA-N 312.800 4.710 30 20 DJED N#Cc1c(F)cccc1N1CCc2c(ccc(Cl)c2Cl)C1 523160686 JTTQUOIUOLEZRO-UHFFFAOYSA-N 321.182 4.567 30 20 DJED C=CCCC[C@H](C)NC(=O)N(Cc1ccc(C)s1)C(C)C 538364653 NTRLUTZCFHQDMW-AWEZNQCLSA-N 308.491 4.721 30 20 DJED CSc1cccc(NC(=O)Nc2cc(C#N)ccc2C)c1C 539257418 LYBNTZBEHKOUHZ-UHFFFAOYSA-N 311.410 4.541 30 20 DJED Cc1cc2sc(C(=O)N(CCC#N)C(C)C)c(C)c2cc1C 568818647 BDASVNJSBGVYNA-UHFFFAOYSA-N 314.454 4.591 30 20 DJED N#CCCCCCC(=O)Nc1ccc2oc3ccccc3c2c1 588253031 LTNMOEXDKMKLEC-UHFFFAOYSA-N 306.365 4.999 30 20 DJED N#CCCCCCC(=O)N(c1ccsc1)C1CCCCC1 588978575 BAMPTTROBQBYRX-UHFFFAOYSA-N 304.459 4.888 30 20 DJED N#CCC1(CNc2cccc(OCc3ccc(F)cc3)c2)CC1 594700379 FNBXWMMLDDFITM-UHFFFAOYSA-N 310.372 4.510 30 20 DJED C[C@H](Nc1ccc(C(F)(F)F)c(C#N)c1)c1cccc(C#N)c1 613281334 GFIGHZFHNMUSGM-NSHDSACASA-N 315.298 4.622 30 20 DJED C=CCC[C@@H](NCCc1c[nH]c2ccc(OC)cc12)c1ccco1 671747332 IRMCPIRDDPQFJG-LJQANCHMSA-N 324.424 4.609 30 20 DJED C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1csc2ccccc12 729986364 LYEWQUPPQSDJQC-NSHDSACASA-N 323.377 4.854 30 20 DJED CCCC(=NNc1cc(C)ncn1)c1ccc(Cl)c(Cl)c1 731935347 URIOCMDEPOKZOA-UHFFFAOYSA-N 323.227 4.708 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C\c3ccc(Cl)cc3)c2c1 734307591 PHROWMUNBJKDRZ-WTKPLQERSA-N 311.768 4.726 30 20 DJED N#C[C@@H](C(=O)/C=C\C1CCCCC1)c1ccc2ccccc2n1 735593996 SGEMICCDJWGMOU-OJNOIJSXSA-N 304.393 4.548 30 20 DJED O=C(/C=C/C=C\c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 750894626 AVKATIWWUBGYIO-MPYXGJHCSA-N 313.740 4.701 30 20 DJED C[C@@H](NCc1ccc(OCC#N)cc1)c1csc2ccccc12 754745848 XLWDXDOEQVKEAQ-CQSZACIVSA-N 322.433 4.654 30 20 DJED C[C@@H]1Sc2sccc2C(=O)/C1=C\c1nc(Cl)cs1 759085776 YGHONCFJCGGZHB-OJYYCGRUSA-N 313.856 4.619 30 20 DJED C[C@H]1CSC(SCc2ccc(-c3ccccc3C#N)cc2)=N1 760182727 JTPVYCXFXVXZTF-ZDUSSCGKSA-N 324.474 4.950 30 20 DJED C=CC[C@H](N[C@H](C)c1ccc2c(c1)CCCC2)c1ccncc1 766020132 OXMYFHOLEOASMR-IERDGZPVSA-N 306.453 4.928 30 20 DJED FC(F)(F)CON=CCCCc1ccc(Cl)c(Cl)c1 768784513 RJGQWYAHUOFIBS-UHFFFAOYSA-N 314.134 4.881 30 20 DJED CCCCCCCCCC(=O)N1CCC[C@@H]1C1CCOCC1 777494100 MEHFVVDBZMFSLZ-GOSISDBHSA-N 309.494 4.545 30 20 DJED C=CCC[C@@H](CC)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 792176424 CQNRBZWNAPYXOK-IUODEOHRSA-N 319.836 4.785 30 20 DJED CCCCCCCCC(=O)Nc1cnn(CC)c1C(F)(F)F 798544370 LQERRTQQKMNTAO-UHFFFAOYSA-N 319.371 4.611 30 20 DJED C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1nc2ccccc2s1 810218043 FIVZIRJWABKNIO-LRDDRELGSA-N 319.433 4.506 30 20 DJED Cc1ccc([C@H](OC(=O)c2ncc(C#N)cc2C)C(C)(C)C)cc1 816006076 KYASNLRSJMMMHY-SFHVURJKSA-N 322.408 4.514 30 20 DJED N#CCCCCCC(=O)Nc1cccc(SC(F)(F)F)c1 863618228 MRVSOZNYTZDFEM-UHFFFAOYSA-N 316.348 4.711 30 20 DJED CCN(CC)c1ccc(/C=C/C(=O)c2cc(F)ccc2F)cc1 916133395 LEQPSQNGGYYJDI-KPKJPENVSA-N 315.363 4.707 30 20 DJED CC(=NNc1cccc(C(=O)O)c1)c1cc(Cl)ccc1Cl 916255234 LGXNLCCSATWKMN-UHFFFAOYSA-N 323.179 4.528 30 20 DJED CC(C)=C[C@@H]1[C@H](C(=O)[C@H](C#N)c2ccc3ccccc3n2)C1(C)C 916849124 PMFNBDNOJSYOIK-GPMSIDNRSA-N 318.420 4.649 30 20 DJED C[C@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1CC1 920434972 GVWFDVKIRQGRFM-QRWLVFNGSA-N 318.420 4.717 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)CCC(C)(C)C 1124959132 RLDQEHQIGMYSSY-MRXNPFEDSA-N 314.473 4.759 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 1128564676 DFYPJAHINNIBSE-FXAWDEMLSA-N 324.468 4.658 30 20 DJED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNc1ncc(C#N)cc1Cl 1162325999 FKRSEOUCTGHOAS-BPLDGKMQSA-N 305.853 4.727 30 20 DJED C[C@@H](c1ccc(Cl)cc1)[C@@H](C)Nc1cc(F)cc(C#N)c1 1183327099 ZRAWGLOSEGKHGA-VXGBXAGGSA-N 302.780 4.955 30 20 DJED CC[C@@H]1CCC[C@@H]1CNc1c(Br)cccc1C#N 1186478890 IRMOHBNBCKPAST-DGCLKSJQSA-N 307.235 4.559 30 20 DJED Cc1ccc(-c2csc(CSc3cccnc3C#N)n2)cc1 1189339166 WGTKPMYUTCYDSC-UHFFFAOYSA-N 323.446 4.678 30 20 DJED C[C@H](c1cccc(C#N)c1)N1CC[C@@](C)(CCc2ccccc2)C1 1191444107 ICWLLXIYYOEAPH-XMSQKQJNSA-N 318.464 4.964 30 20 DJED C[C@@H](CCc1ccccc1)N[C@H]1CCCc2cc(C#N)ccc21 1206329225 UFZDBCCBMYZOPF-KKSFZXQISA-N 304.437 4.547 30 20 DJED CCCCCCCCOCc1nnc(-c2ccccc2F)o1 1257673901 SFKSDKZDPNDEAW-UHFFFAOYSA-N 306.381 4.753 30 20 DJED CCCC[C@@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1264129372 OZMXYLHYOWTXPT-VXGBXAGGSA-N 304.459 4.509 30 20 DJED C=CCCO[C@@H](C)c1nnc(CSc2ccc(Cl)cc2)o1 1326131232 FRTXLQDFAAAYIN-NSHDSACASA-N 324.833 4.669 30 20 DJED N#Cc1ccc(F)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1 1350296805 YMTSYFYKAFVDSG-UHFFFAOYSA-N 316.335 4.617 30 20 DJED CC[C@H]1CCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCCC2 1350729394 ILEPFHIVOZDCIT-STQMWFEESA-N 316.470 4.653 30 20 DJED CC[C@@H](CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C(C)C 1352002147 ULDGIBVDMWBNJU-OLZOCXBDSA-N 318.486 4.755 30 20 DJED CCC(CC)[C@@H](C)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 1354303581 AFLMNJDMDLHERH-MRXNPFEDSA-N 314.473 4.615 30 20 DJED CCc1ccc(C(=O)N(CCC#N)CC(CC)CC)cc1CC 1443561179 CECTVXALNJCKEF-UHFFFAOYSA-N 314.473 4.603 30 20 DJED Cc1ccc(COc2ccc(Br)cc2C#N)c(C)c1 1473003891 QTZWUVUKSCNVQO-UHFFFAOYSA-N 316.198 4.517 30 20 DJED CCOc1c(Cl)cccc1CN(CCC#N)CC(CC)CC 1474340013 TXZJVVPTYIZYRP-UHFFFAOYSA-N 322.880 4.891 30 20 DJED CC(C)(C)C1CCC(CC(=O)Nc2ccc(C#N)c(C#N)c2)CC1 1532513078 TXVXAPCVTMALNU-UHFFFAOYSA-N 323.440 4.611 30 20 DJED CN(C(=O)c1ccc(C2CCC2)cc1)c1ccc(C#N)c(Cl)c1 1535034682 OAEPUDCIYHTGNV-UHFFFAOYSA-N 324.811 4.756 30 20 DJED CC(C)(C)CN(CCC#N)CCc1ccc(C(C)(C)C)cc1 1560658320 TXNLJCMRMDJLNT-UHFFFAOYSA-N 300.490 4.788 30 20 DJED N#Cc1cccc(Oc2ccnc(NCCC3CCCCC3)n2)c1 1611786318 XBILMUSORLLSFB-UHFFFAOYSA-N 322.412 4.523 30 20 DJED CC[C@H](CN(CC)c1nc(C#N)c(Cl)s1)c1ccccc1 1651767461 QIHYEMHKOYKLOV-GFCCVEGCSA-N 319.861 4.688 30 20 DJED Cc1cc(N[C@@H]2CCC[C@@H](C)C2)n2c(nc3ccccc32)c1C#N 1654962794 BEJWTVPPSJPUOB-UKRRQHHQSA-N 318.424 4.658 30 20 DJED CCCC(=NNc1ccccc1C(=O)O)c1ccccc1Cl 1776031360 CFCBWGXYWXAHBH-UHFFFAOYSA-N 316.788 4.655 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1ccc(CCC)cc1 1776784190 MQXABBFYYUDNEG-LJQANCHMSA-N 319.489 4.933 30 20 DJED CCn1c(S[C@@H](C#N)Cc2ccc(C)cc2)nc2ccccc21 7153912 OZWVDNIDTNCZEM-MRXNPFEDSA-N 321.449 4.592 30 20 DJED C=CCN(Cc1cccs1)C(=O)C[C@@H](C)c1ccc(F)cc1 57424917 DTEVLKNXRAXPAK-CQSZACIVSA-N 317.429 4.596 30 20 DJED CCn1nc(C)c(/C=C/C(=O)c2ccc(CC(C)C)cc2)c1C 60370898 ZPLWRKPNJXICNN-VAWYXSNFSA-N 310.441 4.614 30 20 DJED CCCCS[C@H](C)C(=O)Nc1ccccc1SCCC#N 108200578 JXQXGLUCIOEVHI-CYBMUJFWSA-N 322.499 4.553 30 20 DJED CC(C)COc1ccc(CNc2ccccc2O[C@H](C)C#N)cc1 181123037 IDFOITDTAUJKAL-MRXNPFEDSA-N 324.424 4.624 30 20 DJED COc1ccc2ccccc2c1CN[C@@H](C)c1cccc(C#N)c1 181431292 IKHGBBZTHMVYKM-HNNXBMFYSA-N 316.404 4.571 30 20 DJED CCOc1ccccc1[C@@H](CC)N[C@@H](C)c1cccc(C#N)c1 181648006 MOCPGKNMGOHDMH-HNAYVOBHSA-N 308.425 4.759 30 20 DJED CC(C)[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1F 181893658 XOOJYYFKMFGNRK-ORAYPTAESA-N 314.379 4.884 30 20 DJED CCOc1cccc2cc([C@@H](C)NCCCC(C)(C)C#N)oc12 182649578 VATLTOYROZPPQA-CQSZACIVSA-N 314.429 4.812 30 20 DJED COc1cccc(C(=O)/C=C\c2ccc3cc(OC)ccc3c2)c1 212566029 MUVDRSSMUXJNGT-XFFZJAGNSA-N 318.372 4.753 30 20 DJED COc1cc(/C=C\C(=O)c2ccc(Cl)cc2)ccc1SC 214922343 XVQJVIGBURNWMC-OQFOIZHKSA-N 318.825 4.967 30 20 DJED CC(C)(CCC#N)CNC[C@H](Cc1ccccc1)c1ccccc1 236818441 RNGDARXFCZMOMR-NRFANRHFSA-N 320.480 4.932 30 20 DJED C[C@@H]1CCC[C@H](C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 246800243 IHCCQXARWUQPSG-KFWWJZLASA-N 316.470 4.846 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@@H]2CC(C)(C)c3ccccc32)c1 302154717 VNVSQESIFMSKBO-LJQANCHMSA-N 304.393 4.595 30 20 DJED CC[C@@H](Sc1nc(C)nc(C)c1C#N)c1ccc(Cl)cc1 303017327 KYTZIGPLPSGYQY-OAHLLOKOSA-N 317.845 4.862 30 20 DJED CC1(C)CC[C@@H](Nc2ccc(OCC#N)cc2)c2ccccc21 319813425 KZDZAWXPEZEZFG-LJQANCHMSA-N 306.409 4.814 30 20 DJED OC(=Nc1cccc2ocnc12)[C@H]1CCC[C@@H](C(F)(F)F)C1 328920908 TUJYZDNLHNFHGO-VHSXEESVSA-N 312.291 4.785 30 20 DJED N#Cc1ccc(CN[C@@H](CC2CCC2)c2ccccc2)c(F)c1 344124306 XTUIXCGXCUBBQZ-FQEVSTJZSA-N 308.400 4.718 30 20 DJED CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1CC#N 410961656 AXCDLFAQWSIPFQ-WFASDCNBSA-N 304.821 4.561 30 20 DJED CC(C)c1ccc(NC(=O)c2ccc(C#N)c(O)c2)c(C(C)C)c1 442861433 YCKBNNFJUWZLMO-UHFFFAOYSA-N 322.408 4.763 30 20 DJED C=CCOc1ccccc1CN[C@H](CCC)c1ccsc1 443100287 FDVXKHPSTVWJTL-QGZVFWFLSA-N 301.455 4.944 30 20 DJED CO[C@@H](CNc1c(Cl)cccc1C#N)c1ccc(Cl)cc1 462894435 HNYGYHXWTFVWKD-HNNXBMFYSA-N 321.207 4.665 30 20 DJED C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1cc(F)c(Cl)cc1Cl 463298072 UJIAGSUCRZEFDF-DCAQKATOSA-N 315.219 4.865 30 20 DJED CCC[C@@](C)(CC)C(=O)Nc1cccc(OCCCC#N)c1 474975374 SROIKPKHJSJTNU-GOSISDBHSA-N 302.418 4.524 30 20 DJED CC(C)(C#N)c1ccc(C(=O)N2CCCC3(CCCCC3)C2)cc1 475902188 DAYUKPDHYQXCNR-UHFFFAOYSA-N 324.468 4.674 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(OC2CCCC2)cc1 487927562 TXJHOCNSHJKNNX-MRXNPFEDSA-N 314.429 4.580 30 20 DJED C=CCN(CCc1ccco1)Cc1cccc(-c2ccncc2)c1 495199458 FPHBVFKIDCCVAD-UHFFFAOYSA-N 318.420 4.572 30 20 DJED C=C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccccc1 535330636 RTGJTSPUPXZTBW-HNNXBMFYSA-N 324.380 4.510 30 20 DJED CC(C)c1nc2ccc(NCc3ccccc3C#N)cc2s1 604466785 CYRMKMKIVZDCBE-UHFFFAOYSA-N 307.422 4.903 30 20 DJED CC(C)c1ccc(C[S@](=O)CCCCC#N)c(C(C)C)c1 610284849 NNWAPRCNENSSEE-OAQYLSRUSA-N 305.487 4.876 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 682437918 HYQMFNSIDKSMNC-ZDUSSCGKSA-N 321.289 4.882 30 20 DJED CC(=NNc1ncnc2sc(C)c(C)c12)c1cccc(C)c1C 734297341 JKHNZNSFXMJMOK-UHFFFAOYSA-N 324.453 4.761 30 20 DJED Oc1ccc2ccccc2c1/C=N/[C@@H]1CSc2ccccc21 735415254 RJYDLYOTQNGRFY-MLHZQLSASA-N 305.402 4.811 30 20 DJED FC(F)(F)c1cccc(NN=C(Cc2ccccc2)C2CC2)n1 739422272 SPSIOGNTQGHKNN-UHFFFAOYSA-N 319.330 4.521 30 20 DJED Cc1cc2oc(=O)cc(CSc3ccccc3C#N)c2cc1C 741736438 QAODQJISOOGCLF-UHFFFAOYSA-N 321.401 4.574 30 20 DJED CCCCCC1=CCCC1=NNc1oc(C(C)C)nc1C#N 745612037 LAVYKAPKMUJQIO-UHFFFAOYSA-N 300.406 4.738 30 20 DJED CC(=NNc1cc(C)ccn1)[C@H](C)c1nc2ccccc2s1 755903248 OLJNIUWVOPSBAM-LBPRGKRZSA-N 310.426 4.591 30 20 DJED CCn1nc(/C=C\C(=O)c2cc(C)sc2C)c2ccccc21 769742092 FMZRFUBEXLHLMT-KTKRTIGZSA-N 310.422 4.631 30 20 DJED O=C(/C=C/c1cn2cc(Cl)ccc2n1)c1csc(Cl)c1 787185524 CJUHKGHPZSMNQD-NSCUHMNNSA-N 323.204 4.599 30 20 DJED C/C=C(/CC)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 789349409 XMWRAKBASGCKQZ-WGOVJSDKSA-N 310.422 4.651 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=S)Nc1cccc(C)c1 794995109 LHMZZSHHANHHQK-UHFFFAOYSA-N 310.466 4.770 30 20 DJED Fc1cccc(NN=Cc2c(Cl)ccc(Cl)c2Cl)n1 795005550 AVKYTPWWIHNMPP-UHFFFAOYSA-N 318.566 4.627 30 20 DJED C=CCC[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 801532423 ZZJCQKVBRYIYFM-KRWDZBQOSA-N 314.360 4.531 30 20 DJED O=C(/C=C\c1ccc(F)cc1)c1ccc(F)c(Br)c1 810248110 OXGZSUIVCYKJTN-BAQGIRSFSA-N 323.136 4.623 30 20 DJED CC(=NNc1cc(Cl)cc(Cl)c1)c1ccc(C)nc1C 814913853 WUMPLAWUDGFXHJ-UHFFFAOYSA-N 308.212 4.841 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N1CCC[C@@H]1c1ncon1 848115409 YCGATTPGHSHJNS-JKSUJKDBSA-N 321.465 4.510 30 20 DJED Cc1[nH]c2ccccc2c1C=NNc1nccc2sccc12 915979338 JDBVIDSLWCZEAV-UHFFFAOYSA-N 306.394 4.532 30 20 DJED C[C@H](/N=C\c1c(O)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 917557125 YLONENUACHQIHQ-RQZLXBNYSA-N 320.348 4.634 30 20 DJED C#Cc1cccc(NC(=O)N(C)[C@H](C)c2ccc(C)cc2C)c1 918030582 XSXPMONKHLDUCR-MRXNPFEDSA-N 306.409 4.510 30 20 DJED CCCN(Cc1ccc(OC)cc1)[C@@H](C)c1cccc(C#N)c1 1175322729 DGCQYQUEEUBMPZ-INIZCTEOSA-N 308.425 4.540 30 20 DJED CCc1ccc(C(=O)[C@@H](C)Sc2cccc(F)c2C#N)cc1 1189433054 NSBYOBKTQLGQEV-GFCCVEGCSA-N 313.397 4.623 30 20 DJED N#Cc1ccc(CCN(c2ccc(F)cc2)C2CCCC2)cc1 1191899164 JTQMLVNGICDSED-UHFFFAOYSA-N 308.400 4.689 30 20 DJED CCN(CC1(CC#N)CC1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 1307948317 SNDOXNKSBZGWSS-CQSZACIVSA-N 324.390 4.652 30 20 DJED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1ccc(C#N)cc1Cl 1310423300 JASTVGWNTFIUNZ-RISCZKNCSA-N 319.836 4.548 30 20 DJED CC[C@@H]1CCC[C@H]1C(=O)Nc1sc2c(c1C#N)CCCCC2 1350729391 ILEPFHIVOZDCIT-CHWSQXEVSA-N 316.470 4.653 30 20 DJED CCC[C@@H](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1353894735 KJHRCWJMIXWZSS-CQSZACIVSA-N 323.440 4.731 30 20 DJED N#Cc1cc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cs1 1356411221 AFZUBQKFJRBIJA-UHFFFAOYSA-N 318.357 4.771 30 20 DJED Cc1cc(C)cc(-n2ccnc2SCc2ccc(C#N)cc2)c1 1458842801 GCABFVJOLXSNKC-UHFFFAOYSA-N 319.433 4.653 30 20 DJED CC(=O)c1c(C)cc(C)c(CSc2cccc(C#N)c2)c1C 1458981421 QETZWQTWKLYALS-UHFFFAOYSA-N 309.434 4.978 30 20 DJED Cc1cccc(CN(Cc2cccc(F)c2C#N)CC(C)C)c1 1461935689 NFKGHWDLKYGSIJ-UHFFFAOYSA-N 310.416 4.664 30 20 DJED CCc1nc(SCc2ccc(CC#N)cc2)c2ccccc2n1 1473052640 MOPCGJQAIKGQQW-UHFFFAOYSA-N 319.433 4.551 30 20 DJED C[C@@H](C(=O)Nc1cc2ccccc2cc1C#N)c1cccc(F)c1 1525266172 QKOTVAWSDOCKCC-CYBMUJFWSA-N 318.351 4.593 30 20 DJED CC1(C)CCCC[C@H]1C(=O)N(c1ccccc1C#N)C1CCC1 1532422042 ADGQLPWTXXFBDI-KRWDZBQOSA-N 310.441 4.660 30 20 DJED CC[C@@H](CC(C)C)C(=O)Nc1scc(C(C)(C)C)c1C#N 1544839817 LGOSHMNYAICDFQ-LBPRGKRZSA-N 306.475 4.928 30 20 DJED N#C[C@@H]1CCC[C@@H](N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)C1 1621342584 TUPXOXRMNOVGCD-JDSLSITLSA-N 306.812 4.602 30 20 DJED CC(C)c1ccc2c(c1)CCCN2Cc1ccc(F)cc1C#N 1642089690 SSSAXAQAHCKOAQ-UHFFFAOYSA-N 308.400 4.774 30 20 DJED CC[C@H]1CCC[C@@H]1NCc1ccc(-c2ccccc2C#N)cc1 1645283583 YDWAJCAZANJKJS-UWJYYQICSA-N 304.437 4.894 30 20 DJED Cc1cc(Nc2ccc(C#N)c(C)n2)ccc1Oc1cccnc1 1650667196 YCELDCPKECOCTF-UHFFFAOYSA-N 316.364 4.501 30 20 DJED COc1cc(C#N)ccc1CSc1cc(C)c2ccccc2n1 1651640579 YGHNMTYYVLLEHT-UHFFFAOYSA-N 320.417 4.716 30 20 DJED CN(c1cccc(F)c1C#N)C1c2ccccc2-c2ccccc21 1655217021 LXSCYKQAVSKVBH-UHFFFAOYSA-N 314.363 4.904 30 20 DJED Cc1cc(C#N)cc(NC(=O)N(CC(C)(C)C)CC(C)(C)C)c1 1662642242 BFVWGOBVDASLQA-UHFFFAOYSA-N 315.461 4.793 30 20 DJED CCCCCCCCCC[C@H](C)Nc1cc(C(=O)O)ncn1 1776785275 NNEYQQWQHDEZAW-AWEZNQCLSA-N 307.438 4.506 30 20 DJED C[C@@H](Nc1ccc(C#N)cn1)c1cc(F)c(Cl)cc1Cl 54359358 BIJRJCITWUQJBA-MRVPVSSYSA-N 310.159 4.572 30 20 DJED CC(C)(C)C[C@H](NCc1cccc(C#N)c1)c1ccc(F)cc1 61117203 RRMVROCPTNESHE-IBGZPJMESA-N 310.416 4.964 30 20 DJED CC[C@H](c1ccccc1)c1nnc(SCCC(C)(C)C#N)o1 78970856 HVWNFMVLCAFLNP-CQSZACIVSA-N 315.442 4.643 30 20 DJED CCc1nc(C)c([C@H](C)N[C@H](CCC#N)c2ccccc2)s1 90664660 YQNCVZXYQULQOO-XJKSGUPXSA-N 313.470 4.710 30 20 DJED C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(C(F)(F)F)cc1 182421112 FVHPJIPYLXFQHU-NSHDSACASA-N 322.305 4.567 30 20 DJED CC(C)CC(=O)Nc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1 182897787 OHNTYFFYKJTNEE-HNNXBMFYSA-N 321.424 4.716 30 20 DJED C[C@@H](C#N)Oc1ccc(CN[C@H](c2ccccc2)C(C)(C)C)cc1 237706283 HAVJTBRPJSVVBL-OXJNMPFZSA-N 322.452 4.854 30 20 DJED CCOc1cccc2cc([C@H](C)N[C@H]3CCC[C@@H](C#N)C3)oc12 248826199 LYIVWRVSICIOGO-LZWOXQAQSA-N 312.413 4.564 30 20 DJED C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1cccc2ccccc12 302184499 SPHGYGAFDNZEEQ-ZDUSSCGKSA-N 317.348 4.793 30 20 DJED N#C[C@@H]1CCC[C@@H]1/N=C(/O)[C@@H]1C[C@@H]1c1cccc2ccccc12 330054252 RSFPZEBWQAGDEI-PIKADFDJSA-N 304.393 4.592 30 20 DJED Cc1[nH]nc(-c2ccccc2)c1N=C(O)[C@@H]1CCCC(F)(F)C1 330179998 NAZZVQRTGKESDL-CYBMUJFWSA-N 319.355 4.799 30 20 DJED C=CCC[C@@H](NCc1ccc(N(C)C(C)C)nc1)c1ccccc1 359697637 CHCMWPJTSOEZSO-HXUWFJFHSA-N 323.484 4.723 30 20 DJED C[C@H](Nc1c(C#N)cccc1C#N)c1ccccc1C(F)(F)F 436387916 RVBQYBZMVGRJPI-NSHDSACASA-N 315.298 4.622 30 20 DJED CCN(Cc1ccc(Cl)s1)[C@H](C)c1cccc(C#N)c1 442674523 CSENBLRNQXCJIC-GFCCVEGCSA-N 304.846 4.856 30 20 DJED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3coc(C)c3)n2)cc1 444460195 ZTEYXHYGPACIRS-OAHLLOKOSA-N 322.389 4.510 30 20 DJED C=CC[C@@H]1N(Cc2cnc([C@@H]3CCCO3)s2)CCCC1(C)C 446827037 LWQODOZHVGTQDL-HOTGVXAUSA-N 320.502 4.561 30 20 DJED N#Cc1ccc(Cl)cc1OCc1cc(-c2cccs2)on1 474348607 NLDJIXZZUUJQJF-UHFFFAOYSA-N 316.769 4.507 30 20 DJED C=CCC1(C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)CCC1 479180795 WSTJRINYOTZRCS-UHFFFAOYSA-N 324.251 4.625 30 20 DJED CCN(CCC(=O)c1ccc(C)cc1)[C@@H](C)c1ccc(C#N)cc1 480519048 AFCJTAROHBMMBL-KRWDZBQOSA-N 320.436 4.523 30 20 DJED N#Cc1ccc(C2=CCN(Cc3ccsc3Cl)CC2)cc1 483255214 PCDDOASSHDILQT-UHFFFAOYSA-N 314.841 4.562 30 20 DJED CCCC[C@@H](C)C(=O)Nc1ccccc1SC[C@H](C)C#N 503341990 DRUCVPZQENOOPS-ZIAGYGMSSA-N 304.459 4.703 30 20 DJED CCC(C)(C)CC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 505977127 QRBWLUJKRBJZEQ-CYBMUJFWSA-N 313.228 4.501 30 20 DJED C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccccc1SCCC#N 519405455 BQEUBJIIVLWKGZ-CABCVRRESA-N 316.470 4.847 30 20 DJED C=CCCCCCN(C)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 524800860 KIKWDVBIHZYNFI-MOPGFXCFSA-N 314.473 4.711 30 20 DJED C[C@H](NCCc1csc2ccccc12)c1cccc(C#N)c1 539499873 MNODOINWRBUJDS-AWEZNQCLSA-N 306.434 4.666 30 20 DJED CC1CCN(c2cccc(N[C@@H](C)c3ccc(C#N)cc3)c2)CC1 539742065 XZCYJEVWCIUUOT-KRWDZBQOSA-N 319.452 4.968 30 20 DJED C[C@@H]1C[C@H]1[C@@H](NCc1ccccc1C#N)c1ccc(Cl)cc1 540523677 WYXCRKPELSMHCE-ZNOIYHFQSA-N 310.828 4.699 30 20 DJED CCCOc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 557518324 ZQOLFQFNNVFLTG-OAQYLSRUSA-N 320.436 4.514 30 20 DJED CC(C)Oc1ccc([C@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cc1 569055313 FUQSDTMQBGZKGL-YCRPNKLZSA-N 320.436 4.684 30 20 DJED C[C@](C#N)(NC(=O)CC1CC(c2ccccc2)C1)C1CCCCC1 573769468 SZRHDIKYRRLPGX-QYGXFBIXSA-N 324.468 4.549 30 20 DJED C=CCCCCS[C@H](C)C(=O)Nc1ccccc1OCC 577370344 LXERUEFDLATITK-CQSZACIVSA-N 307.459 4.502 30 20 DJED C=CCCC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 607606415 FGWGDMINAUTBRB-MRXNPFEDSA-N 323.436 4.848 30 20 DJED N#Cc1ccccc1-c1ccc(CSC[C@@H]2CCCOC2)cc1 610897697 IOFXTDDKCGVMBB-QGZVFWFLSA-N 323.461 4.885 30 20 DJED C[C@H](NC1CCC(c2ccc(O)cc2)CC1)c1cccc(C#N)c1 611442129 XHVXABMAXPTRGG-FVWXCPNNSA-N 320.436 4.641 30 20 DJED COc1ccccc1[C@@H]1CCCCN1CCCCC(C)(C)C#N 618279988 NNNXKUZRUSGVKV-SFHVURJKSA-N 314.473 4.942 30 20 DJED C=C(C)[C@@H](NC1CCC(OCC)CC1)c1ccc(F)c(F)c1 657981349 GJAIMEYNUJYRKJ-JTTJXQCZSA-N 309.400 4.519 30 20 DJED CC(C)Oc1ccc(C(=O)/C=C\c2cc(F)c(F)c(F)c2)cc1 727974211 IJYAQCIIBCCWQI-BAQGIRSFSA-N 320.310 4.787 30 20 DJED C=CCN(C(=O)N[C@H](CC(C)C)c1ccccc1C)C(C)C 732895125 WEYUOXULQRRESO-GOSISDBHSA-N 302.462 4.688 30 20 DJED CC[C@@H](C#N)Oc1cccc(CNC/C(C)=C\c2ccccc2)c1 733800506 WIUNQXHUIJWYRJ-PGNDWZGLSA-N 320.436 4.561 30 20 DJED Cc1cccc(C(=O)/C=C\c2ccc(OC(F)F)cc2)c1C 734304906 AJPPKSQCDVZKNO-FLIBITNWSA-N 302.320 4.801 30 20 DJED Cc1csc([C@H](C#N)C(=O)[C@@H](CC2CCCCC2)C(C)C)n1 734704677 VUSSHOZHGDBSJN-JKSUJKDBSA-N 318.486 4.870 30 20 DJED O=C1/C(=C\c2ccc3ncccc3c2)Cc2cc(Cl)ccc21 742437262 KRGXZKCLCFFQAY-DHDCSXOGSA-N 305.764 4.711 30 20 DJED CC(=NNc1ncc(C(F)(F)F)cc1Cl)c1ccsc1 749099866 VKFFONRGKURTIA-UHFFFAOYSA-N 319.739 4.651 30 20 DJED CC(=NNc1cc(Cl)ccc1Cl)c1csc(C)n1 751896020 ZCUDIDJCMVAYIH-UHFFFAOYSA-N 300.214 4.594 30 20 DJED FC(F)(F)c1ccccc1ON=Cc1cscc1Cl 754709976 PTNPSXOORIRIRV-UHFFFAOYSA-N 305.708 4.833 30 20 DJED CCOc1ccc(/C=C\C(=O)c2ccccc2F)cc1OCC 757475542 SLBJVLMBPBMPFO-LUAWRHEFSA-N 314.356 4.519 30 20 DJED C#CC[C@@H](NC(=O)Nc1ccccc1CCC)c1ccccc1 757761252 LIHCKRUVTRJFLQ-GOSISDBHSA-N 306.409 4.525 30 20 DJED Clc1ccccc1[C@H]1CCCC1=NOCc1cccnc1 758128468 HHAGHFOBVLZPPV-OAHLLOKOSA-N 300.789 4.575 30 20 DJED CC(=NNc1cc(C#N)cc(Cl)n1)c1cccc2ccccc12 768379009 CLDPBPRNKHDMRJ-UHFFFAOYSA-N 320.783 4.596 30 20 DJED N#Cc1csc(CNc2cccc(COc3ccccc3)c2)c1 770493943 DICNFBGCIUHIEL-UHFFFAOYSA-N 320.417 4.811 30 20 DJED CCCC(=CC(=O)N(Cc1ccc(C#N)cc1)C(C)C)CCC 770688260 MIZUZTSVBMMBMY-UHFFFAOYSA-N 312.457 4.822 30 20 DJED C[C@H](Nc1cccc(C(F)(F)F)c1)c1ccc(C#N)c(F)c1 777602168 IUVRZQPPOJWHDI-JTQLQIEISA-N 308.278 4.889 30 20 DJED CC(C)(C#N)CCCOC(=O)C1(c2cccc(F)c2)CCCC1 782618514 FPPOLWYLUVXCEI-UHFFFAOYSA-N 317.404 4.511 30 20 DJED CC[C@@H](C#N)OC(=O)c1csc(-c2ccc(Cl)cc2)c1 795872968 ZGEUUDGTUIZKOZ-ZDUSSCGKSA-N 305.786 4.527 30 20 DJED Cc1c([C@H](C)OC(=O)c2ccc(C#N)o2)sc2ccccc12 797091541 SZAFPINZZDTLJH-NSHDSACASA-N 311.362 4.592 30 20 DJED CC(C)(CCC#N)COC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 798878321 ROVFJTMOLPKTAC-RBUKOAKNSA-N 321.420 4.816 30 20 DJED C[C@@H](Nc1nc(Cl)c(C#N)s1)c1cccc2ccccc12 804326383 QSQDRYONJVJQGV-SNVBAGLBSA-N 313.813 4.994 30 20 DJED CC(=NNc1cc(C)ccn1)c1sc(-c2ccccc2)nc1C 814868205 WXAOBAMOESSMKH-UHFFFAOYSA-N 322.437 4.658 30 20 DJED C[C@H](N[C@H]1CCc2ccc(Cl)cc21)c1ccc(C#N)c(F)c1 858581925 KEVULXDYXDZARH-VOJFVSQTSA-N 314.791 4.689 30 20 DJED COc1cccc(C=Nc2cccc(Nc3ccccc3)c2)c1O 920942313 XZAZWOLXLJNDKB-UHFFFAOYSA-N 318.376 4.895 30 20 DJED CC(C)CCN(CCC(C)C)C(=O)[C@H](CC#N)c1ccccc1 1124755507 RCIHMNIZZCJAOO-LJQANCHMSA-N 314.473 4.605 30 20 DJED Cc1ccc(C#N)cc1C(=O)N1CC[C@@H](CC(C)(C)C)C1(C)C 1129654907 VFVYOJZSCNTXQK-INIZCTEOSA-N 312.457 4.544 30 20 DJED N#Cc1ccc(N[C@@H]2C[C@H]2C2CCCCC2)cc1Br 1163179788 UCTRMODWDKQIFC-GOEBONIOSA-N 319.246 4.701 30 20 DJED CC(C)C[C@H]1CCCN(Cc2cc(Cl)ccc2OCC#N)C1 1168144686 FXWDQECQASFKGB-OAHLLOKOSA-N 320.864 4.500 30 20 DJED CCOc1ccc(C#N)cc1NCc1cc(Cl)cc(Cl)c1 1178901845 YMKPNILEDAPALI-UHFFFAOYSA-N 321.207 4.876 30 20 DJED C[C@H](Cc1ccccc1C(F)(F)F)Nc1cc(F)cc(C#N)c1 1183323450 ASHYBDJNOYQUKE-LLVKDONJSA-N 322.305 4.759 30 20 DJED Cc1ccc([C@@H]2CCCCCN2Cc2cccc(C#N)c2F)o1 1191176702 ZEPIBRLUBVQEEH-KRWDZBQOSA-N 312.388 4.716 30 20 DJED CCC(CC)CN(CCC#N)CCCc1ccc(Cl)cc1 1191365472 ALBRCUXMELDTHJ-UHFFFAOYSA-N 306.881 4.924 30 20 DJED CC(C)Oc1cccc(CN(C)CCC2(C#N)CCCCC2)c1 1192955500 HWAPRDRVXNXSDQ-UHFFFAOYSA-N 314.473 4.770 30 20 DJED Cc1ccccc1SC[C@@H](C)CN1CCCC(C)(C)[C@@H]1C#N 1194101489 MITFIMLBLFWKMF-YJBOKZPZSA-N 316.514 4.737 30 20 DJED CC(C)[C@H]1CCc2ccccc2N1CCc1ccc(C#N)cc1 1307657033 SQCRKCSQYMSWEQ-HXUWFJFHSA-N 304.437 4.578 30 20 DJED CCC(CC)Sc1cc(Br)c(C#N)cc1F 1458161522 KAGSLDOBDUZPSP-UHFFFAOYSA-N 302.212 4.741 30 20 DJED CCCc1cccc(CN2CC=C(c3ccc(C#N)cc3)CC2)c1 1461941815 SEMXIMQWOIPRCT-UHFFFAOYSA-N 316.448 4.800 30 20 DJED COc1ccc(CNc2cc(C)cc(C#N)c2)cc1C(C)(C)C 1474178870 CDPKEMMDCYJXTI-UHFFFAOYSA-N 308.425 4.785 30 20 DJED Cc1ccccc1[C@@H](CC(C)C)NC(=O)Nc1ccc(C#N)cc1 1475824744 YYBZINMMSLZSNJ-LJQANCHMSA-N 321.424 4.776 30 20 DJED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)CC1(C#N)CCCCC1 1533055544 SKLHXNRJRYGDPT-AWEZNQCLSA-N 318.848 4.724 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)Nc1cccc(C#N)c1C 1534738347 NPQIVHXIOKQFAO-YOEHRIQHSA-N 318.420 4.795 30 20 DJED Cc1c(C#N)cccc1NC(=O)N1CCC(C)(CC(C)C)CC1 1562484005 SLTRLXRCUQOOMM-UHFFFAOYSA-N 313.445 4.547 30 20 DJED Cc1oc(C#N)cc1C(=O)O[C@@H](C)c1ccc(Cl)cc1Cl 1586724735 YCXRTFWGPVWVSK-QMMMGPOBSA-N 324.163 4.685 30 20 DJED Cc1cccc(C(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)c1 1588270255 AUQLNVFSVYSNOQ-OLZOCXBDSA-N 324.449 4.866 30 20 DJED C[C@H](CCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccccc1 1621132996 KTTCBYZOLFISME-BVYCBKJFSA-N 318.464 4.952 30 20 DJED Cc1ccc([C@@H]2CCCN2c2ncc(Cl)c(C)c2C#N)cc1 1642040309 MSIQMZLNSNXTCZ-KRWDZBQOSA-N 311.816 4.565 30 20 DJED Cc1cc(F)c2c(c1)CCCN2CCC1(C#N)CCCCC1 1642088974 DBANVAPLVZSFNX-UHFFFAOYSA-N 300.421 4.751 30 20 DJED CC(C)CC[C@@H](Nc1cncc(C#N)n1)c1ccc(Cl)cc1 1642099514 ALCUURXQKQOEDW-MRXNPFEDSA-N 314.820 4.591 30 20 DJED CN(Cc1ccccc1C(C)(C)C#N)CC1(c2ccccc2)CC1 1642726289 IDCMUOZMHUGDKZ-UHFFFAOYSA-N 318.464 4.651 30 20 DJED Cc1ccc(-c2cnc(CSc3cccc(F)c3C#N)o2)cc1 1643959254 VUKFMWFOCIFZBO-UHFFFAOYSA-N 324.380 4.953 30 20 DJED N#CCc1ccc(CN(CC[C@@H]2C[C@H]3CC[C@H]2C3)C2CC2)cc1 1644376308 WHNHHLAIXLSWMR-SLFFLAALSA-N 308.469 4.543 30 20 DJED Cc1cc(CNCC(C)(C)c2cccc(Cl)c2)ccc1C#N 1648960827 WAWWWZXHAZWQSL-UHFFFAOYSA-N 312.844 4.588 30 20 DJED COc1ccc(C(C)(C)C)cc1NCc1ccc(C#N)c(C)c1 1657429260 IPIKAADIBRUPOH-UHFFFAOYSA-N 308.425 4.785 30 20 DJED CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 1672794744 SKJQIBQJBWNYRE-LRDDRELGSA-N 319.836 4.644 30 20 DJED Cc1c(NN=C(CC2CCC2)c2ccccc2)cccc1C(=O)O 1776087409 AEZSPFCPPKKEMC-UHFFFAOYSA-N 322.408 4.700 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1 25841592 MXUXDXLCNPMITC-UHFFFAOYSA-N 316.763 4.533 30 20 DJED CCOc1ccc(/C=C/C(=O)c2ccc(OC(F)F)cc2)cc1 149500796 TZUNQOGRLCTBRS-LFYBBSHMSA-N 318.319 4.583 30 20 DJED O=C(/C=C\c1ccccc1OCc1ccccn1)c1ccccc1 209907276 OEJUDSAYLRESSJ-YPKPFQOOSA-N 315.372 4.557 30 20 DJED C[C@H](NCCCCC(C)(C)C#N)c1ccc(Br)cc1 235506620 JBXACWPVXODKLG-ZDUSSCGKSA-N 323.278 4.820 30 20 DJED N#CCc1ccc(NCc2csc(-c3ccc(F)cc3)n2)cc1 237699396 AJPDSVXHLJKGHN-UHFFFAOYSA-N 323.396 4.627 30 20 DJED O=C(/C=C\c1cnc2ccccn12)c1cc(Cl)sc1Cl 255374596 SVTXXFACUMEONM-PLNGDYQASA-N 323.204 4.599 30 20 DJED O=C(/C=C\c1cnc(-c2cccs2)s1)c1cccs1 255507278 QBXBRDVDKTURBT-WAYWQWQTSA-N 303.433 4.829 30 20 DJED CCC(C)(C)c1ccc(C[S@@](=O)CCCC(C)(C)C#N)cc1 285258765 VCMBSPUAXFJETR-QFIPXVFZSA-N 319.514 4.953 30 20 DJED CC(C)c1nc(Oc2ccc(C#N)cc2F)cc(C(C)(C)C)n1 302852918 QNLAMNMPXXCABA-UHFFFAOYSA-N 313.376 4.701 30 20 DJED CCOc1ccccc1[C@H](C)Nc1cccc(OCCCC#N)c1 324491790 OSMDYEALEPVMRO-INIZCTEOSA-N 324.424 4.941 30 20 DJED Cc1nc(-c2ccc([C@H](C)Nc3cc(C#N)ccn3)cc2)cs1 341740236 FAMOOKAUJGDXOL-LBPRGKRZSA-N 320.421 4.558 30 20 DJED C=CCSc1ccccc1NC(=O)CSc1ccoc1C 358784153 SHWVGRHERXRQTM-UHFFFAOYSA-N 319.451 4.597 30 20 DJED C=CCC[C@@H](NCc1nccn1-c1ccccc1)c1ccccc1 359700337 NVBYRXHQMJJSNQ-HXUWFJFHSA-N 317.436 4.669 30 20 DJED CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1cccc(C#N)c1C 431743941 YPEFRGQJYSQUHI-HNNXBMFYSA-N 321.424 4.699 30 20 DJED C=C(C)CN(CC)C(=O)Nc1cc(Cl)c(Cl)cc1F 439970108 YAXZVLPZHCNXRQ-UHFFFAOYSA-N 305.180 4.562 30 20 DJED C=C[C@@H](C)NC(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 464749674 DZEBABFRFQBQLZ-CABCVRRESA-N 314.454 4.595 30 20 DJED CC(C)c1ccc(C(=O)Nc2ccc(F)cc2C#N)cc1Cl 467958093 LMLIODLBYLWXPF-UHFFFAOYSA-N 316.763 4.726 30 20 DJED C=CCCC1(C(=O)NC2CCC(c3ccc(F)cc3)CC2)CC1 476622902 FRTSPHXULQDQSP-UHFFFAOYSA-N 315.432 4.715 30 20 DJED N#Cc1ccc(CNC2(c3ccccc3)CCCCC2)cc1F 484099993 VOKMTZIJHXXJKS-UHFFFAOYSA-N 308.400 4.647 30 20 DJED Cc1cc(CN[C@H](C)c2cc3ccccc3s2)ccc1C#N 488319872 LNGYBMMIYQIQTI-CQSZACIVSA-N 306.434 4.932 30 20 DJED C=CC[C@H](C(=O)Nc1ccc2ncsc2c1)c1ccccc1 488669559 USWKUNYCIKXIFI-HNNXBMFYSA-N 308.406 4.595 30 20 DJED C=CC[C@H](C(=O)NC[C@]1(C)C[C@H]1c1ccccc1)c1ccccc1 501708941 UFYXMFOYVFXYNZ-ONTIZHBOSA-N 319.448 4.656 30 20 DJED CC(C)c1ccc(NC(=O)N(C)C[C@H](C)C#N)c(C(C)C)c1 509575168 ZZWBAAPYKQHHKX-CQSZACIVSA-N 301.434 4.557 30 20 DJED CC[C@H](NC(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)s1 512235054 VYRNUIKCJWSHNL-LBPRGKRZSA-N 319.817 4.546 30 20 DJED C=C1CCN(Cc2cc(OC)c(OC)cc2-c2ccccc2)CC1 513483223 BQPBGFFDZFNJDS-UHFFFAOYSA-N 323.436 4.523 30 20 DJED Cc1ccc2c(c1)[C@@H](N[C@@H]1CCc3ccc(C#N)cc31)CCC2 514893429 HNXDRDKDGLVHES-LEWJYISDSA-N 302.421 4.521 30 20 DJED N#CCCCCN[C@H](Cc1ccccc1Cl)c1ccccc1 537107588 HREUDOJNRYIOKN-LJQANCHMSA-N 312.844 4.907 30 20 DJED CC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1cc(F)ccc1F 537406613 HKERUERHMAHUFM-VOJFVSQTSA-N 318.342 4.777 30 20 DJED C=C[C@@H](Cc1nc([C@H](C)c2cccs2)no1)c1ccccc1 545020751 UKVVVAPOIZKQHW-KGLIPLIRSA-N 310.422 4.795 30 20 DJED CCc1ccc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 552969981 BEIUVPGVTBIFRG-QVKFZJNVSA-N 304.437 4.849 30 20 DJED CC(C)(C)CN(CCC#N)C(=O)c1ccc(C2CCCC2)cc1 570251101 ITHXQKANZRPMPG-UHFFFAOYSA-N 312.457 4.746 30 20 DJED Cc1cccc2cc(C(=O)N(CCC#N)CCC(C)C)sc12 589052726 DKXQTRSFTMSNPD-UHFFFAOYSA-N 314.454 4.612 30 20 DJED C[C@@H](NCc1ccc(-c2ccccc2F)o1)c1cccc(C#N)c1 610344654 CVANRWFLINBVDR-CQSZACIVSA-N 320.367 4.808 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)N(C)C(C)(C)CC 684900154 DLNDRHMXAYTQNL-UHFFFAOYSA-N 314.882 4.630 30 20 DJED CCCCCCCCCNC(=O)N(C)[C@@H](C)c1cccc(O)c1 731543198 XZQGADCTRHTOOQ-INIZCTEOSA-N 320.477 4.845 30 20 DJED C/C(=C/C(=O)N(Cc1ccc(C#N)cc1)CC(C)C)C(C)(C)C 742594868 ADTVHDFJSBMHSC-WJDWOHSUSA-N 312.457 4.535 30 20 DJED N#Cc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1Cl 755571316 YDHZRFMEIMYULA-VMPITWQZSA-N 302.160 4.761 30 20 DJED C=CC[C@@H](N[C@H]1CC2(CCC2)Oc2ccccc21)c1ccncc1 766020560 QIOOJYMMMAOFSX-MOPGFXCFSA-N 320.436 4.735 30 20 DJED CC(C)(C#N)CC(=O)Oc1ccc(-c2ccccc2)cc1Cl 781936330 AJNDQALOHMKSBR-UHFFFAOYSA-N 313.784 4.852 30 20 DJED O=C(/C=C/c1scnc1C1CC1)c1ccc(F)c(Cl)c1 782331690 XDXKJNAWLYCRQP-AATRIKPKSA-N 307.777 4.709 30 20 DJED CC[C@@]1(C)Oc2ccc(N[C@@H](C)c3ccc(C#N)cc3)cc2O1 785572284 YUJNXFZFOOJPDT-DJJJIMSYSA-N 308.381 4.629 30 20 DJED CC(C)c1ccc2c(c1)C(=O)/C(=C\c1ccnn1C(C)C)CCO2 794941840 ZOPJHJURTKHOQD-WJDWOHSUSA-N 324.424 4.636 30 20 DJED C=CCC[C@@H](NCc1cccc(O[C@H](C#N)CC)c1)c1ccco1 796817597 QUQPQJGLARGJSQ-PKOBYXMFSA-N 324.424 4.758 30 20 DJED CCCOc1ccc(/C=C/C(=O)c2cc(C)c(C)o2)cc1OC 799896025 FZWFICXHCLZABY-SOFGYWHQSA-N 314.381 4.590 30 20 DJED C=C[C@@H](CC(=O)O[C@H](CC)c1ccc(F)cn1)c1ccccc1 803045539 HRJIBGOQKHFOKQ-KBXCAEBGSA-N 313.372 4.575 30 20 DJED O=C(/C=C\c1ccccc1F)c1ccc(F)c(Br)c1 810247323 KAXYTGALAUOEAD-VURMDHGXSA-N 323.136 4.623 30 20 DJED O=C(O)c1cccc(C=NNc2cccc3ccccc23)c1Cl 814823172 SISCJVCRRDAGHK-UHFFFAOYSA-N 324.767 4.637 30 20 DJED CC1=C(C)C[C@H](C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)CC1 842730159 VXWSFKDAFSFQSS-ZIAGYGMSSA-N 302.443 4.579 30 20 DJED Cc1cc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)cc(C)c1O 916136926 GDWIAFFDPWHRFK-VOTSOKGWSA-N 320.310 4.924 30 20 DJED C=CCN(Cc1ccccc1F)C(=S)Nc1cccc(C)c1 918163314 GZJJRENJBBOUAB-UHFFFAOYSA-N 314.429 4.519 30 20 DJED COc1cccc(/C=N\[C@@H](C)c2cccc(C(F)(F)F)c2)c1O 920944420 FIAHPDIHSBDZRG-GVHCZZSVSA-N 323.314 4.600 30 20 DJED C=CCN(C(=O)c1nc(-c2ccccc2)oc1C1CC1)C(C)(C)C 1118787372 BJBSVYCSYDLDKU-UHFFFAOYSA-N 324.424 4.646 30 20 DJED CCCC(CCC)C(=O)Nc1cc(C#N)ccc1OC(C)C 1125466557 MJAQQVQFZYWDFG-UHFFFAOYSA-N 302.418 4.500 30 20 DJED CC(C)[C@@H]1N(C(=O)[C@H](CC#N)c2ccccc2)CC12CCCCC2 1141953149 LBFZJMXXBNLLDA-MOPGFXCFSA-N 324.468 4.501 30 20 DJED CCCN(Cc1ccc(C#N)cc1C)[C@@H]1CCc2ccccc2C1 1167162851 CJNPGYWRIHZINX-JOCHJYFZSA-N 318.464 4.636 30 20 DJED Cc1cc(CNc2cccc(OCC#N)c2)ccc1C(F)(F)F 1180739458 BFTJNJMAOQCJRU-UHFFFAOYSA-N 320.314 4.528 30 20 DJED Cc1nc(N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)ccc1C#N 1186707017 ZUHBPWCHGMPWHW-RHSMWYFYSA-N 311.816 4.663 30 20 DJED CCC[C@@H]1CCCC[C@H]1CNC(=O)Nc1cc(C#N)ccc1C 1201424632 YCEKTOZTSHUIKL-SJORKVTESA-N 313.445 4.595 30 20 DJED CCC[C@@H](Cc1ccccc1)N(CCC)Cc1cccc(C#N)n1 1204776936 SMPBJKKNWKDPQX-NRFANRHFSA-N 321.468 4.577 30 20 DJED O=C(/C=C/c1ncc(-c2ccccc2)[nH]1)c1csc(Cl)c1 1255999715 YLCSMRAEVMVPEN-VOTSOKGWSA-N 314.797 4.688 30 20 DJED N#Cc1cccc(Oc2ccc(Nc3ncncc3Cl)cc2)c1 1306965372 UUWCXZCQFWWSBY-UHFFFAOYSA-N 322.755 4.538 30 20 DJED CC(C)c1ccc2ncnc(Sc3cccc(C#N)c3)c2c1 1306991929 LGTVLPXUZRVXKY-UHFFFAOYSA-N 305.406 4.776 30 20 DJED C[C@@H]1Sc2ccccc2N(Cc2cccc(C#N)c2F)[C@@H]1C 1307548814 MPQYXFCWUADMPJ-OLZOCXBDSA-N 312.413 4.587 30 20 DJED CCC(CC)[C@@H](NC(=O)c1csc(C#N)c1)c1cccs1 1355124127 DVAHQKGNBRFVIG-OAHLLOKOSA-N 318.467 4.589 30 20 DJED C[C@@H](CC1CCCCC1)C(=O)Nc1ccc(Cl)cc1C#N 1461546229 ALZRVUMUWSCUAU-LBPRGKRZSA-N 304.821 4.757 30 20 DJED CCCN(Cc1ccc(F)c(C(F)(F)F)c1)CC(F)(F)F 1461990782 WEGKKGIHUOCIHD-UHFFFAOYSA-N 317.248 4.619 30 20 DJED COc1ccccc1[C@@H](C)Sc1nc(C)c(C#N)cc1Cl 1472707173 ZLYVJERGYOVAKO-LLVKDONJSA-N 318.829 4.777 30 20 DJED CCOC(=O)Nc1ccc(N[C@H]2CCC[C@@H](CC)C2)cc1C#N 1474435026 QKEWPIYHMDDFGE-HIFRSBDPSA-N 315.417 4.507 30 20 DJED CC(C)(CC#N)CN[C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 1474571788 WCCWZQNRZOFXBN-DOTOQJQBSA-N 304.865 4.581 30 20 DJED Cc1ccc(C)c2c(C)c(C(=O)Nc3cc(C#N)ccc3F)oc12 1525019073 OVYCRJHKIIRMPH-UHFFFAOYSA-N 322.339 4.621 30 20 DJED C[C@H]1CCc2sc(NC(=O)C3(F)CCCC3)c(C#N)c2[C@H]1C 1534584484 SMMPBFUMTJTXPQ-QWRGUYRKSA-N 320.433 4.526 30 20 DJED Cc1cccc(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@@H]3C)c1 1588270257 AUQLNVFSVYSNOQ-STQMWFEESA-N 324.449 4.866 30 20 DJED CCCOc1ccc(CNc2nc(C(C)(C)C)ccc2C#N)cc1 1611812158 FIAFEBUZEKCZKZ-UHFFFAOYSA-N 323.440 4.652 30 20 DJED CC(C)c1c(NC2CCC(C)(C#N)CC2)cnn1-c1ccccc1 1621306810 VYCNDLVJBXTHFQ-UHFFFAOYSA-N 322.456 4.880 30 20 DJED CC(C)(C)CN(CCC#N)CCSc1ccc(Cl)cc1 1644669855 WOSSENFAROZFNA-UHFFFAOYSA-N 310.894 4.694 30 20 DJED N#C[C@@H](c1ccccc1)N1CCC(=Cc2ccccc2F)CC1 1652902633 KHJWAZIHPYAULS-FQEVSTJZSA-N 306.384 4.570 30 20 DJED CO[C@H](CSc1ccc(C#N)cc1Cl)c1ccc(F)cc1 1656378219 ISAMNWFYXNEUJC-OAHLLOKOSA-N 321.804 4.831 30 20 DJED C[C@H](CC12CC3CC(CC(C3)C1)C2)NCC(C)(C)CCC#N 1659947455 ZZCCHQUXPCMDBB-HWWITLHISA-N 302.506 4.901 30 20 DJED O=C(O)c1ccc(F)c(/C=C/C(=O)c2ccc3ccccc3c2)c1 1776131356 PFCUFRJDMSPGEV-CSKARUKUSA-N 320.319 4.573 30 20 DJED Cc1cc(C)c(C(=O)/C=C/c2ccc(/C=C/C(=O)O)cc2)cc1C 1776133168 OXWLBXSRLFJRIF-GFULKKFKSA-N 320.388 4.606 30 20 DJED CCOc1ccc(N[C@H](C)c2cccc(C#N)c2)cc1Cl 37773412 PHBKGPJOIHUQOD-GFCCVEGCSA-N 300.789 4.783 30 20 DJED Cc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1ccc(C#N)cc1 43281467 DVMIAQQHFDGWTN-OAHLLOKOSA-N 321.424 4.873 30 20 DJED Cc1cc2c(c(N3CCCCC3)c1C#N)CCc1ccccc1-2 44138046 BIDWDQJGEXZIPA-UHFFFAOYSA-N 302.421 4.623 30 20 DJED C=CCN(C(=O)c1ccccc1C(F)(F)F)c1ccccc1 71819213 HGGRUGPFEDQEPK-UHFFFAOYSA-N 305.299 4.538 30 20 DJED Cc1cc(CNc2cc(C#N)ccc2C)ccc1Br 91469954 IJZWJAJECOSPKF-UHFFFAOYSA-N 315.214 4.550 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)s1 176402918 STJUVUSZANLCEZ-ZHACJKMWSA-N 322.433 4.506 30 20 DJED C[C@@H](C(=O)Nc1ccc(F)cc1C#N)c1ccc2ccccc2c1 177348641 DNZNWYGAYIAWJC-CYBMUJFWSA-N 318.351 4.593 30 20 DJED CO[C@H](C)c1nc(CS[C@H](C)c2ccc(C#N)cc2)cs1 177853268 MPQWADMDVSQRGM-VXGBXAGGSA-N 318.467 4.717 30 20 DJED C=C[C@H](CC(=O)Nc1c(C)cc(N(C)C)cc1C)c1ccccc1 179532157 FEZBYTWPKXYKBW-QGZVFWFLSA-N 322.452 4.668 30 20 DJED Cc1c([C@@H](C)NCc2ccc(F)cc2C#N)oc2ccccc12 183589778 MKLPDKSMGVAOAG-CYBMUJFWSA-N 308.356 4.603 30 20 DJED COc1cc(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)ccc1O 214176702 LUNOPNOUVMOIFG-UTCJRWHESA-N 323.175 4.604 30 20 DJED C[C@@H](c1ccccc1)[C@@H](C)NCc1cccc(OCCCC#N)c1 237332559 HIFWSNXPGFQHKE-QZTJIDSGSA-N 322.452 4.651 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CCC[C@](C)(c2ccccc2)C1 303677636 IEJWLIODJSLIBR-UTKZUKDTSA-N 304.437 4.673 30 20 DJED N#Cc1sc(Oc2cc(Cl)cc(Cl)c2)nc1Cl 310310149 WGIKANGGEUVEJQ-UHFFFAOYSA-N 305.573 4.767 30 20 DJED CCc1cccc(N=C(O)C2CCC(/N=C(/O)C3CC3)CC2)c1 330000398 WIQGRFCLEUUIQS-UHFFFAOYSA-N 314.429 4.762 30 20 DJED CCc1cc(C#N)c(N=C(O)c2cnc(C(C)(C)C)s2)s1 330617974 WZXQEVNOSHUZNJ-UHFFFAOYSA-N 319.455 4.572 30 20 DJED N#Cc1ccc(NC(=O)c2cccc3ccsc23)cc1Cl 386192218 CBHUYJAYXSUEOV-UHFFFAOYSA-N 312.781 4.679 30 20 DJED C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(Cl)cc1Cl 398961705 NBZOSLHKJMYGJF-GFCCVEGCSA-N 319.235 4.910 30 20 DJED COc1ccccc1-c1ccc([C@H](C)NCC(C)(C)CC#N)cc1 414159708 BSKLGGNOFGUCJX-INIZCTEOSA-N 322.452 4.953 30 20 DJED CC(C)c1ccc(CN(C)C(=O)Nc2cccc(CC#N)c2)cc1 455920592 NTADYXVXAGKQJV-UHFFFAOYSA-N 321.424 4.540 30 20 DJED N#Cc1cccc(Cl)c1NCc1ccccc1OCC1CC1 462867293 SSOHCUTWZCGSOJ-UHFFFAOYSA-N 312.800 4.613 30 20 DJED C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)c2ccccc21 474958600 VXWTVGDVARTSET-OAHLLOKOSA-N 318.420 4.642 30 20 DJED CC(C)c1cccc(CNC(=O)C[C@@H](CC#N)c2ccccc2)c1 476739770 AUORFYSMNSDKPB-HXUWFJFHSA-N 320.436 4.514 30 20 DJED C=C(C)[C@@H](N[C@@H](C)c1ncccc1CC)c1ccc(F)c(F)c1 480665699 QHTKYVURDCEDAC-SCLBCKFNSA-N 316.395 4.890 30 20 DJED C=C[C@H](CC(=O)Nc1ccc(C)cc1NCC)c1ccccc1 480810144 FMCQVORBJGNCOQ-MRXNPFEDSA-N 308.425 4.725 30 20 DJED C=C(C)CN(C)C(=O)c1csc(-c2ccc(Cl)cc2)c1 498227788 OXHXAKUYJAKAPW-UHFFFAOYSA-N 305.830 4.717 30 20 DJED CCN(Cc1cccc2[nH]ccc12)[C@H](C)c1ccc(C#N)cc1 508602479 DWQAYYZMFAOKMR-OAHLLOKOSA-N 303.409 4.623 30 20 DJED N#CCCCOc1cccc(CN2CCC[C@H]2C2CCCC2)c1 511471671 JOQADPWMNMGVTO-FQEVSTJZSA-N 312.457 4.524 30 20 DJED C=CCOc1ccc(C(=O)N(C)c2cccc3ccccc23)cc1 511621164 BGCNIDYGABQZCV-UHFFFAOYSA-N 317.388 4.681 30 20 DJED CN(C(=O)NCC(C)(C)CCC#N)C1CCC(C(C)(C)C)CC1 513128731 GVEBFBKDOIRWOD-UHFFFAOYSA-N 321.509 4.563 30 20 DJED C=CCC[C@H](NCc1csc(-c2ccco2)n1)c1ccco1 513678584 PIYZUSVSXMUUMI-AWEZNQCLSA-N 314.410 4.793 30 20 DJED N#Cc1cc(NCc2ccc3ccccc3c2)nc2ccccc12 525707997 VPPZCGSIQBEWHU-UHFFFAOYSA-N 309.372 4.872 30 20 DJED CCC(C#N)(CC)C(=O)Nc1cc(-c2ccc(C)o2)ccc1C 529224820 OAJDYCWZDNAHDJ-UHFFFAOYSA-N 310.397 4.832 30 20 DJED Cc1ccc2c(c1)[C@H](NC1(c3cccc(C#N)c3)CC1)CCC2 551802869 VYUAFZNAGAYXGX-HXUWFJFHSA-N 302.421 4.523 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1ccc(N2CCCCCC2)cc1C 552961411 CBXZDXSKWKRWRM-FQEVSTJZSA-N 314.473 4.916 30 20 DJED Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCc1cccc(C#N)c1 588953745 ICCSLVQMEHVRMJ-HXUWFJFHSA-N 315.420 4.515 30 20 DJED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(C(F)F)nc1 595021672 DMBVQVMEVUEWCL-BBRMVZONSA-N 315.367 4.715 30 20 DJED CCC1(CC)CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 598218056 DKJOPODIDONMQS-GOSISDBHSA-N 312.457 4.503 30 20 DJED C[C@H](Nc1ccc(Br)c(C#N)c1)c1ccccc1F 600852463 GIFSIDIFTSOWEE-JTQLQIEISA-N 319.177 4.633 30 20 DJED CC[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1F 619746634 DPVKJVHUNWWVGA-QGZVFWFLSA-N 320.770 4.731 30 20 DJED C=CCOc1ccc(/C=C/C(=O)c2ccsc2)cc1Cl 727267218 QATGOPYCPQINOQ-HWKANZROSA-N 304.798 4.862 30 20 DJED Cc1ncccc1/C=C/C(=O)c1ccc(OCCC(C)C)cc1 728786220 VLSHQZZQZNVFHL-DHZHZOJOSA-N 309.409 4.711 30 20 DJED CCCCCC[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 742070961 DGOFTSIDJYXLJX-HNNXBMFYSA-N 304.409 4.679 30 20 DJED CCOc1cccc(/C=C2\C(=O)c3ccsc3S[C@H]2C)c1 742437387 UMSFUCUTAHNETM-SAIXKJTDSA-N 316.447 4.907 30 20 DJED C[C@H](C=NNc1ccccc1)c1cccc(Br)c1 747623873 FEDDNJVDTWOSNH-GFCCVEGCSA-N 303.203 4.651 30 20 DJED C=CCCCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 748295169 IYLPKFIKGQWBDE-LJQANCHMSA-N 304.393 4.637 30 20 DJED Cc1cc2cc(C(=O)/C=C/c3ccc(Cl)nc3)oc2cc1C 749131919 HGWOYCZUQHSBMT-HWKANZROSA-N 311.768 4.994 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1ccc(F)c(Cl)c1 755591351 SMSXHTZNLXDSJV-VURMDHGXSA-N 320.795 4.769 30 20 DJED O=C(/C=C/c1ccc(Cl)nc1Cl)c1cccc(F)c1F 761479740 MYYXHHQSIRVXNE-GQCTYLIASA-N 314.118 4.563 30 20 DJED Cc1cc(NC(=O)c2cc(C#N)cs2)ccc1-c1ccccc1 762509738 AEYGBCFJJYOZHI-UHFFFAOYSA-N 318.401 4.848 30 20 DJED CC[C@H](CC#N)NC(=O)Nc1ccc(N=Nc2ccccc2)cc1 763267647 NQJMTXKWVINIPR-CQSZACIVSA-N 321.384 4.916 30 20 DJED COc1ccsc1/C=C\C(=O)c1sc(C(C)(C)C)nc1C 764434295 YGXSDZZRLULBKI-SREVYHEPSA-N 321.467 4.715 30 20 DJED CCc1cnccc1C(=O)/C=C\c1cnc(-c2ccccc2)s1 766772369 QUJXGIKOSJOIJD-HJWRWDBZSA-N 320.417 4.664 30 20 DJED O=C(/C=C\c1ccc(-c2c(F)cccc2F)o1)c1ccco1 769783386 DKQHBXLKHPVSQT-VURMDHGXSA-N 300.260 4.714 30 20 DJED CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)OCCCCC(C)(C)C#N 786352122 PMTPFMAVHYVTPF-ULQDDVLXSA-N 323.477 4.624 30 20 DJED C[C@H](CC#N)OC(=O)c1csc(-c2ccc(Cl)cc2)c1 796883102 OADZCCXQDOTRCY-SNVBAGLBSA-N 305.786 4.527 30 20 DJED C#Cc1ccc(CN2CCCC[C@@H]2c2nc3ccccc3o2)cc1 809585764 MXLHKFJRRHWXQL-LJQANCHMSA-N 316.404 4.536 30 20 DJED CCCCCCCCCC(=O)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 811951893 QNRISLUEBIQTAC-IEBWSBKVSA-N 321.505 4.687 30 20 DJED CC[C@H](c1ccccc1)[S@@](=O)CCCCC1(C#N)CCC1 899285889 KIERCDZWNXOPTQ-UTKZUKDTSA-N 303.471 4.751 30 20 DJED C=C[C@@H](CC)CC(=O)N(c1ccccc1)c1nc(C)cs1 901285250 HIRUNTFDUGSGKW-AWEZNQCLSA-N 300.427 4.719 30 20 DJED O=[N+]([O-])c1ccc(NN=Cc2ccccc2-c2ccccc2)cc1 917529872 WLEJPWMZQRVORU-UHFFFAOYSA-N 317.348 4.708 30 20 DJED CC(=NNc1ncccc1Cl)c1cc(Cl)ccc1Cl 917549194 KKXLFARCEYNBDN-UHFFFAOYSA-N 314.603 4.878 30 20 DJED CCc1nc(CON=Cc2ccc(C(C)(C)C)cc2)cs1 920399151 LLIHAGZVMAAKKO-UHFFFAOYSA-N 302.443 4.554 30 20 DJED C[C@@H](OC(=O)c1cccc(C#N)c1)c1cccc2ccccc12 920407313 VVJNRHBFISRBOR-CQSZACIVSA-N 301.345 4.629 30 20 DJED C[C@@H](Nc1cccc(CC#N)n1)c1cc(F)c(Cl)cc1Cl 1116636196 FXNFADJEZPOHFV-SECBINFHSA-N 324.186 4.767 30 20 DJED CC[C@H](C)c1ccc([C@@H](Nc2cc(C#N)nc(C)n2)C(C)C)cc1 1162020902 QZUQWOZNRFYCQP-XOBRGWDASA-N 322.456 4.979 30 20 DJED C[C@@H]1C[C@H](CCNC(=O)Nc2cccc(C#N)c2)CC(C)(C)C1 1197550617 XQZXFRXXGOPEFW-CABCVRRESA-N 313.445 4.532 30 20 DJED N#Cc1ccc(C2CCN(CC/C=C\c3ccccc3)CC2)cc1 1198210117 FDFIXOCXDUMLSE-YWEYNIOJSA-N 316.448 4.841 30 20 DJED CCC[C@@H](CCc1ccccc1)Nc1ncc(C#N)cc1Cl 1306980020 VEYRBSFHUYTDJI-INIZCTEOSA-N 313.832 4.820 30 20 DJED COc1ccc(C#N)cc1CN1C[C@@H](C)CC[C@@H]1c1ccccc1 1307756779 PIZXZYXWEWAYDQ-OXJNMPFZSA-N 320.436 4.540 30 20 DJED C=C[C@H]1CCCCN1C(=O)c1ccc(OC)c(-c2ccccc2)c1 1320892287 MQMNGNSTWIPXMS-SFHVURJKSA-N 321.420 4.543 30 20 DJED CC(C)CN(C(=O)c1csc(C#N)c1)c1cccc(Cl)c1 1348021877 VPMYCZHXPJKNDV-UHFFFAOYSA-N 318.829 4.576 30 20 DJED Cc1ccc(-c2ccccc2NC(=O)c2csc(C#N)c2)s1 1438383915 YDPFODYQZJMZDT-UHFFFAOYSA-N 324.430 4.909 30 20 DJED C[C@@H]1[C@@H](Cc2ccccc2)CCN1CCC1(C#N)CCCCC1 1459631132 KMCZNGKPDYKIPL-UYAOXDASSA-N 310.485 4.804 30 20 DJED CN(C(=O)C[C@@H]1CCCCC1(C)C)c1ccc(C#N)c(Cl)c1 1462058379 KDBONGIWCNCJEQ-AWEZNQCLSA-N 318.848 4.781 30 20 DJED Cc1nc(N2CC3(CCCCC3)[C@@H]2C(C)C)c(Cl)cc1C#N 1472801942 IXFDWVSGKRZFSF-INIZCTEOSA-N 317.864 4.710 30 20 DJED Cc1oc(C(C)(C)C)cc1C(=O)O[C@H](C)c1ccc(C#N)cc1 1515137357 UYNYPPGQINRXAU-GFCCVEGCSA-N 311.381 4.675 30 20 DJED Cc1ccccc1-c1ccccc1C(=O)O[C@H]1CCC[C@@H](C#N)C1 1528497516 NJAZNJDLWRSSGW-SJORKVTESA-N 319.404 4.901 30 20 DJED Cc1ccc(C#N)cc1C(=O)O[C@H](C)c1cccc(Cl)c1F 1584256738 JTAZBOASURHRFW-LLVKDONJSA-N 317.747 4.577 30 20 DJED Cc1scc(C(=O)Nc2cc3ccccc3cc2C#N)c1C 1584892505 OLLXVYJMGLVEIS-UHFFFAOYSA-N 306.390 4.642 30 20 DJED Cc1cc(C#N)cc(NC(=O)[C@@H](CC(C)C)c2ccccc2)c1 1584930129 KHCOXCYUQPUAPF-IBGZPJMESA-N 306.409 4.635 30 20 DJED C[C@H](Nc1nc(C#N)c(Cl)s1)c1ccc(F)cc1Cl 1612422593 BJXBACDKJACMMK-LURJTMIESA-N 316.188 4.634 30 20 DJED C=C(Br)CN(Cc1ccsc1)c1ccccc1 1616280467 PYQRTSBZYJITPS-UHFFFAOYSA-N 308.244 4.663 30 20 DJED C[C@H](CC(=O)N(c1ccccc1C#N)C1CCC1)c1ccccc1 1617588594 MPLDXDWSLWUPDD-MRXNPFEDSA-N 318.420 4.638 30 20 DJED Cc1cc(N[C@@H](C)c2ccc(Cl)c(Cl)c2)ncc1C#N 1642492276 KICKOCNXAYMFCE-JTQLQIEISA-N 306.196 4.742 30 20 DJED CC1(C)CCc2ccccc2[C@@H](Nc2ncc(C#N)cc2F)C1 1642612426 INEAKNBTAGOQHA-KRWDZBQOSA-N 309.388 4.608 30 20 DJED C[C@H](CCC#N)CN1C[C@@H](C)CSc2ccc(Cl)cc21 1647045132 VDHHUGUSKRUANK-CHWSQXEVSA-N 308.878 4.828 30 20 DJED Cc1cc(N[C@@H]2c3ccccc3CC[C@@H]2C(C)C)ncc1C#N 1651726331 OMRHIUOLDSIHEI-XLIONFOSSA-N 305.425 4.633 30 20 DJED Cc1c(Cl)cnc(N[C@@H](C)c2ccccc2Cl)c1C#N 1651883588 CYKNUIPPHYATCT-JTQLQIEISA-N 306.196 4.742 30 20 DJED CC[C@@H]1c2ccccc2CCN1Cc1ccc(Cl)cc1C#N 1652514700 CMPXYSSHFAHTLL-LJQANCHMSA-N 310.828 4.721 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1c(F)cc(C)cc1F 1658509957 FKZHCBQSQPSNCW-UHFFFAOYSA-N 314.379 4.557 30 20 DJED Cc1c(C#N)cccc1NC(=O)N(C)[C@H]1CCC[C@H]1C(C)(C)C 1659837966 QHHPUNYMJGYKRC-WBVHZDCISA-N 313.445 4.545 30 20 DJED N#Cc1ccc(CN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1Cl 1664435637 RDYODVKFQAFSGL-YQQAZPJKSA-N 302.849 4.660 30 20 DJED C=CCC(C)(C)CC(=O)Nc1ccc2sc(C(=O)O)cc2c1 1776150733 FHEHKGZDCIXILC-UHFFFAOYSA-N 317.410 4.530 30 20 DJED C=CCn1c(S[C@@H]2CCCc3ccccc32)nnc1C1CC1 58986454 LNNTZYUJDXGVRO-MRXNPFEDSA-N 311.454 4.511 30 20 DJED Cc1cccc(C(C)(C)NCc2cccc(OCCCC#N)c2)c1 130443377 ZUMMTEPFJQHEPF-UHFFFAOYSA-N 322.452 4.703 30 20 DJED CC[C@H](CC#N)NC(=O)Nc1ccc(S[C@H](C)CC)cc1C 157318192 PBFGBTYCJUUVGT-ZIAGYGMSSA-N 319.474 4.699 30 20 DJED O=C(/C=C/c1cccnc1Cl)c1cccc(C(F)(F)F)c1 171349517 JQUGWAWMTJTGSM-VOTSOKGWSA-N 311.690 4.650 30 20 DJED C=C(C)CN(C)C(=O)c1ccccc1SCc1cccs1 180443245 CARLLLMRZBKCQL-UHFFFAOYSA-N 317.479 4.689 30 20 DJED Cc1cc(CNCc2ccc(C#N)s2)ccc1-c1ccccc1 189504735 SXNBQQXEJTXOGV-UHFFFAOYSA-N 318.445 4.885 30 20 DJED CCCC1CCC(N[C@@H](C)c2ccc(OCC#N)cc2)CC1 314959045 MKTOTSOFEXCQQM-HJOIGYKYSA-N 300.446 4.598 30 20 DJED OC(=Nc1c[nH]nc1-c1ccccn1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 329158310 DLNPZNVIISLPPG-SOUVJXGZSA-N 324.428 4.666 30 20 DJED N=C(O)[C@@H]1CCCC[C@@H]1/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 329175379 MAHALIPYFACIQS-RBZJEDDUSA-N 306.450 4.643 30 20 DJED CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1ccc(C#N)cc1Cl 426149276 NBGFTMVBQAVEBJ-MLGOLLRUSA-N 319.836 4.644 30 20 DJED CC[C@H](Nc1cc(OC)ccc1Cl)c1ccc(C#N)cc1 447597502 GJJCKSURBUMDFC-INIZCTEOSA-N 300.789 4.783 30 20 DJED C=CCCCCCN(C)C(=O)[C@H](C)CCc1cccc(F)c1 464059008 VRUQCLYJZHBUKG-MRXNPFEDSA-N 305.437 4.599 30 20 DJED CC(C)(C)[C@](C)(C#N)NC(=O)CCCc1ccc2ccccc2c1 464162544 NQOHRDMESQCCCX-NRFANRHFSA-N 322.452 4.607 30 20 DJED C=C(C)[C@@H](N[C@H](C)C1CCSCC1)c1ccc(F)c(F)c1 474924219 ATAPXGFTGFQZQQ-SJKOYZFVSA-N 311.441 4.703 30 20 DJED C=CCCCC(=O)N(Cc1ccccc1)c1ccc(OC)cc1 480886450 RZYQRQUPAUYVMY-UHFFFAOYSA-N 309.409 4.585 30 20 DJED C=CCN(C(=O)c1cc(Cl)sc1Cl)c1ccccc1 484266352 SDQDPZCGTNTEGG-UHFFFAOYSA-N 312.221 4.888 30 20 DJED C[C@@H]1C[C@H]1c1ccc(CN(Cc2ccc(C#N)s2)C2CC2)o1 506553865 DJONHBLFFOIHSH-SJKOYZFVSA-N 312.438 4.501 30 20 DJED C[C@H](c1cccc(C(F)(F)F)c1)N(C)Cc1ccc(C#N)cc1 507205358 VZBONPUHWRESOA-CYBMUJFWSA-N 318.342 4.770 30 20 DJED Cc1cccc(-c2n[nH]cc2CNc2ccc(Cl)c(C#N)c2)c1 508630232 MSLZDIOKBUUVNM-UHFFFAOYSA-N 322.799 4.522 30 20 DJED N#Cc1ccc(NC(=O)C2(c3cccc(F)c3)CCCCC2)cc1 512389177 HLOVCDLTSOCLRA-UHFFFAOYSA-N 322.383 4.538 30 20 DJED CCOc1cc(NCc2cccc(OCCCC#N)c2)ccc1C 519556580 NPHGYGBWUPRSJP-UHFFFAOYSA-N 324.424 4.688 30 20 DJED Cc1ccccc1[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C1CC1 539608630 VMISFAKDQKJACR-XOBRGWDASA-N 308.400 4.808 30 20 DJED C=CCC[C@@H](Nc1cn(-c2ccccc2)nc1C)c1ccco1 552067005 XVODRBYOPQGXAG-QGZVFWFLSA-N 307.397 4.893 30 20 DJED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)CCC2 561139556 DTMYKDSELTVUAI-OYHNWAKOSA-N 316.448 4.775 30 20 DJED N#CCC[C@H](C#N)CNc1cccc(CCCc2ccccc2)c1 571636289 GEXZRZMLCHSRKB-HXUWFJFHSA-N 317.436 4.717 30 20 DJED N#CC1(Cc2nc([C@H]3CCCc4ccccc43)no2)CCCCC1 594734145 QOHDMSTUTSADOZ-KRWDZBQOSA-N 321.424 4.554 30 20 DJED C[C@@H](CC#N)N[C@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1 602867927 FPVWZQJBEQQZMF-VHSXEESVSA-N 324.211 4.601 30 20 DJED Cc1cccc2c1CC[C@H]2N[C@H]1CCCc2cc(C#N)ccc21 611394102 GVGLQEIJHSYLJE-LEWJYISDSA-N 302.421 4.521 30 20 DJED Cc1cccc2c1CC[C@@H]2N[C@H]1CCCc2cc(C#N)ccc21 611394105 GVGLQEIJHSYLJE-SFTDATJTSA-N 302.421 4.521 30 20 DJED CCc1nc2cc(N[C@H]3CCCc4cc(C#N)ccc43)ccc2o1 611468633 MTVOKEIFFDTDAX-KRWDZBQOSA-N 317.392 4.751 30 20 DJED C=C(C)CN(C)C(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1 680263599 XYMKBZKXAMCIOK-UHFFFAOYSA-N 316.351 4.672 30 20 DJED C#Cc1cccc(N(C(=O)c2ccc(Cl)cc2F)C(C)C)c1 728247520 GQGKPKZAEXDHKL-UHFFFAOYSA-N 315.775 4.516 30 20 DJED Oc1ccc2ccccc2c1C=Nc1cc(F)c(F)cc1F 729150117 SKLMZZSLZASBSD-UHFFFAOYSA-N 301.267 4.713 30 20 DJED CC[C@H](/N=C\c1cc(Cl)cc(Cl)c1O)c1ccncc1 741466057 BYVZVVOUESABNB-GPMKDSKKSA-N 309.196 4.664 30 20 DJED Cc1cc(C)cc(-c2ccc(/C=C\C(=O)c3cnn(C)c3)cc2)c1 741468051 RNODFPFHNRXNFL-TWGQIWQCSA-N 316.404 4.600 30 20 DJED O=C1/C(=C\c2ccc(O)c(Cl)c2)Cc2cc(Cl)ccc21 742437404 MWTTVZWAFFPESH-WZUFQYTHSA-N 305.160 4.521 30 20 DJED CCCCCC[C@@](C)(CC)C(=O)N(C)Cc1cccc(C#N)c1 742528833 PRSAQEKQZUWFHX-HXUWFJFHSA-N 314.473 4.903 30 20 DJED N#Cc1ccc(OCCCSCc2ccc(F)c(F)c2)cc1 742667998 XZWHVFLDCSMSKX-UHFFFAOYSA-N 319.376 4.539 30 20 DJED CC(=NNc1nc(Cl)c(Cl)cc1Cl)c1ccsc1 749099862 VIJZBJLCPVOYTO-UHFFFAOYSA-N 320.632 4.939 30 20 DJED N#Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2F)s1 749320764 LGYJVQXQSKDWAK-UHFFFAOYSA-N 322.364 4.678 30 20 DJED Clc1ccc(NN=C2CCC[C@H]2c2ccccc2Cl)nn1 758065904 AKTLLIPTSYEJPW-NSHDSACASA-N 321.211 4.519 30 20 DJED O=C1/C(=C\c2ccc(Cl)nc2Cl)CCc2ccc(F)cc21 761480233 QGKPAPZXSDJXNI-YFHOEESVSA-N 322.166 4.740 30 20 DJED CC(=O)Nc1ccc(/C=C2\C(=O)c3ccccc3[C@H]2C(C)C)cc1 766505402 HPOOBSBZPOYIFJ-NURJGKTBSA-N 319.404 4.665 30 20 DJED CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1cc(Cl)ccc1O 775491062 YACDSLJVTQUHLY-SJKOYZFVSA-N 314.816 4.719 30 20 DJED C#CCCCCCC(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 779903853 MJOVHXKACJKRER-INIZCTEOSA-N 317.498 4.948 30 20 DJED Cc1c(C(=O)/C=C\c2cccc(C(F)(F)F)c2)cnn1C(C)C 787187651 UXLCUZFCPQQYGK-FPLPWBNLSA-N 322.330 4.687 30 20 DJED O=C1/C(=C/c2ccc(C(F)F)cc2)CCOc2cc(F)ccc21 794945986 RCQTVPPNDWIZDJ-UKTHLTGXSA-N 318.294 4.812 30 20 DJED CC1(C)CC[C@H](NCc2cc(C#N)ccc2F)c2ccccc21 795802459 UDSQPIOTJSMSFY-IBGZPJMESA-N 308.400 4.600 30 20 DJED C=CCC[C@H](NCc1cccc(O[C@H](C#N)CC)c1)c1ccco1 796817586 QUQPQJGLARGJSQ-HKUYNNGSSA-N 324.424 4.758 30 20 DJED CCC[C@H](C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)C(C)C 797569944 BKDYOLQHYMXAQF-QWHCGFSZSA-N 306.475 4.689 30 20 DJED C/C(C=NOCC(F)(F)F)=C/c1ccccc1C(F)(F)F 799883006 MAQIXFCDXYDLQK-FJRJLKPDSA-N 311.225 4.673 30 20 DJED CCC(=NNc1ccc(Cl)c(Cl)c1)c1ccc(F)cn1 814796833 RQEBWHMOFBNAQO-UHFFFAOYSA-N 312.175 4.754 30 20 DJED CCc1cccc(C)c1NN=Cc1conc1Cc1ccccc1 814923257 NFZKQIITVQLGRZ-UHFFFAOYSA-N 319.408 4.582 30 20 DJED Cc1noc(C)c1/C=C/C(=O)c1ccc(-c2cccs2)cc1 818259402 CTWYGJNXEQZHBF-MDZDMXLPSA-N 309.390 4.916 30 20 DJED CC[C@H](NCc1cccc(O[C@@H](C#N)CC)c1)c1ccsc1 834650836 RBAXLUVWEMBUFT-AEFFLSMTSA-N 314.454 4.670 30 20 DJED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCCO2 850447397 JPUVKHNJVNCNBE-OXQOHEQNSA-N 320.436 4.707 30 20 DJED C=CCC(C)(C)CNc1ccc([S@](=N)(=O)C(F)(F)F)cc1 882399525 IHDHGCPBQPMQCY-NRFANRHFSA-N 320.380 4.626 30 20 DJED C=CC(C)(C)CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 892522684 KPFVTKDLCQTKAC-AWEZNQCLSA-N 310.422 4.589 30 20 DJED CC(C)Oc1ccccc1/C=C\C(=O)c1cc(F)ccc1F 916134963 UYFDXDNSMNQIRT-YFHOEESVSA-N 302.320 4.648 30 20 DJED Cc1ccc(C(=O)N(c2ccccc2)[C@@H](C)C(C)C)cc1C#N 1133508401 ORHSXHFKPFJFNM-INIZCTEOSA-N 306.409 4.558 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1cc(F)ccc1Cl 1167248368 OSSIUJXBXBEELB-UHFFFAOYSA-N 316.807 4.761 30 20 DJED C=C(Cl)CN1CCC[C@H](Cc2csc3ccccc23)C1 1169005232 RMIHKSOJKIYUPZ-CQSZACIVSA-N 305.874 4.908 30 20 DJED CC[C@@H](C)c1ccc([C@H](Nc2ccc(C#N)nn2)C(C)C)cc1 1184667046 SFRLDZHGSNYKQJ-AUUYWEPGSA-N 308.429 4.671 30 20 DJED CC[C@H](C)[C@H]1CCCCN1c1ccc(C#N)c(Br)c1 1185978016 CRZNHWRZDVMAKP-BLLLJJGKSA-N 321.262 4.726 30 20 DJED Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ccc(C#N)c(C)c2)o1 1204346645 CCPFAPBGLBIOHX-LIRRHRJNSA-N 308.425 4.741 30 20 DJED Cc1ccc(C)c(-n2ncc(N[C@H](C)CC(C)(C)C#N)c2C)c1 1204993074 TUNBJLYICWAAOU-OAHLLOKOSA-N 310.445 4.538 30 20 DJED C[C@@H]1CCCN(C(=O)Nc2cc(F)cc(C#N)c2)c2ccccc21 1208348646 BXUQDDQUTDUQDW-CYBMUJFWSA-N 323.371 4.633 30 20 DJED CCCC[C@H](CCC)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1222971477 MJWMFSFBPUNBSL-YJBOKZPZSA-N 315.461 4.620 30 20 DJED CCCCC1CCC(C(=O)OCc2ccc(CC#N)cc2)CC1 1266640599 WMUYGLHNFSQFCE-UHFFFAOYSA-N 313.441 4.792 30 20 DJED Cc1ccc(C)c2c1CCC[C@@H]2Nc1ccc(OCC#N)cc1 1325674124 VDBDTTWZSJXYLA-IBGZPJMESA-N 306.409 4.695 30 20 DJED Cc1nc(-c2ccccc2)sc1-c1nnc(C#CC(C)(C)C)o1 1327026556 HPVVFVQVQBOYRS-UHFFFAOYSA-N 323.421 4.566 30 20 DJED C[C@@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCCC2 1349781355 DUKOGWUTIUDDRH-OLZOCXBDSA-N 316.470 4.653 30 20 DJED N#Cc1ccc(Cl)cc1Oc1nc(C2CCCC2)ns1 1458261880 ASIPVAFKALFXHK-UHFFFAOYSA-N 305.790 4.513 30 20 DJED CC(C)C[C@H]1CCC[C@@H](Nc2ccc(F)cc2OCC#N)C1 1462071652 MSNDZEWNGTVZBQ-GDBMZVCRSA-N 304.409 4.745 30 20 DJED CCC[C@@H](CC(C)C)C(=O)Nc1sc2c(c1C#N)CCC2 1530058360 WNMXWAKBZPUUPJ-LBPRGKRZSA-N 304.459 4.509 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](C)CC1CCCCC1 1584415344 QFRKHLHQMBCTEY-CVEARBPZSA-N 312.457 4.684 30 20 DJED CSc1ccc(COc2nc3c(cc2C#N)CCCCC3)cc1 1614861303 LTRXPTKQJLVBMT-UHFFFAOYSA-N 324.449 4.523 30 20 DJED N#Cc1cccc(C2(NCc3ccc(F)c4ccccc34)CC2)c1 1621328539 XGCMBNIJVUQQBH-UHFFFAOYSA-N 316.379 4.629 30 20 DJED CCc1ccc(C2CCN(Cc3ccc(C#N)c(C)c3)CC2)cc1 1621466598 UDWVVEIWJHDEJX-UHFFFAOYSA-N 318.464 4.809 30 20 DJED CN(CCC(C#N)(c1ccccc1)c1ccccc1)CC(C)(C)C 1641675951 YIBMPGKJPWVJLI-UHFFFAOYSA-N 320.480 4.864 30 20 DJED CCO[C@H]1C[C@@H](N(C)CCC2(C#N)CCCCC2)C1(CC)CC 1652781477 WSESZPZGGYJGST-MSOLQXFVSA-N 320.521 4.766 30 20 DJED Cc1c(C)c(C)c(CN(CCC#N)CC(C)(C)C)c(C)c1C 1653418900 FSFGFZRJQMYWJB-UHFFFAOYSA-N 300.490 4.990 30 20 DJED CCc1ccc([C@@H]2CCN([C@@H](C)c3cccc(C#N)c3)C2)cc1 1653736211 PCRQFXHLKUTYGH-HRAATJIYSA-N 304.437 4.671 30 20 DJED CCOc1ccc(C#N)cc1NCc1ccc(C2CCC2)cc1 1658086902 MWHJDCFQIIJLRU-UHFFFAOYSA-N 306.409 4.837 30 20 DJED C=C(Cl)CN[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F 1658292222 JMAFQFMECXPANO-JSGCOSHPSA-N 303.755 4.684 30 20 DJED CCC(CC)CN(CCC#N)Cc1ccsc1C(F)(F)F 1663717173 HUSNNXFEYPGTCM-UHFFFAOYSA-N 318.408 4.919 30 20 DJED CC(C)(C)C1CCC(C=NNc2ccc(F)c(C(=O)O)c2)CC1 1776062223 KINOXHRYNNPTQZ-UHFFFAOYSA-N 320.408 4.774 30 20 DJED Cc1cc(C(=O)/C=C/c2ccc(C(=O)O)cc2Cl)c(C)s1 1776133498 YJJRHRLQBVMXMG-AATRIKPKSA-N 320.797 4.613 30 20 DJED CCCCCCCC[C@@H](C)C(=O)Nc1cccc(F)c1C(=O)O 1776786124 NSWFZYDFLOHMGJ-CYBMUJFWSA-N 323.408 4.849 30 20 DJED C[C@@H]1/C(=C/c2ccc3oc(C(=O)O)cc3c2)C(=O)c2ccccc21 1777408044 UZHQSORZIKWTEU-RCEBRVLHSA-N 318.328 4.514 30 20 DJED C[C@H](C#N)Oc1ccccc1NC(=O)C[C@@H]1CCCCC1(C)C 182109630 BSQLNOVJFAJBML-CABCVRRESA-N 314.429 4.522 30 20 DJED Cc1cc([C@H](C)N[C@H](C)c2ccc(OCC#N)cc2)c(C)s1 193016924 ZWRRMMJWIUXTDD-KGLIPLIRSA-N 314.454 4.679 30 20 DJED CCOc1ccc(/C=C\C(=O)c2ccc(F)cc2)cc1OCC 207683899 HPSIUXTWXUARHM-WZUFQYTHSA-N 314.356 4.519 30 20 DJED COc1cc(/C=C\C(=O)c2ccc(C)s2)ccc1OC(F)F 210338107 JAFOHDUVFOMPMJ-XQRVVYSFSA-N 324.348 4.563 30 20 DJED N#Cc1csc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)c1 255888488 KLBVUNPUDSKZJF-PLNGDYQASA-N 307.296 4.535 30 20 DJED CC1CCC(c2noc(CSc3ccc(C#N)cc3)n2)CC1 356191654 KLXJNQNEAKMNKT-UHFFFAOYSA-N 313.426 4.527 30 20 DJED CCCC[C@@H](C)C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 409992680 NSLZYQIIKQZSOV-ZWNOBZJWSA-N 313.228 4.501 30 20 DJED C=CCC[C@H](C(=O)Nc1cccc2[nH]ccc12)c1ccccc1 488717963 FQIPRFPJXWIZPK-INIZCTEOSA-N 304.393 4.856 30 20 DJED C=CCOc1ccc(C(=O)N(CC)c2cc(C)ccc2C)cc1 489961975 ZKSGUTXUDRMEIC-UHFFFAOYSA-N 309.409 4.535 30 20 DJED CC(C)(C#N)CC(=O)Nc1ccc(OCC2CCCCC2)cc1 493228124 LHIDDWCVSMBECH-UHFFFAOYSA-N 314.429 4.524 30 20 DJED CC[C@@H](C)n1ncc(N[C@H](C)c2ccc(C#N)cc2)c1C1CC1 538580174 POVSAFYRKDLNLW-ZIAGYGMSSA-N 308.429 4.776 30 20 DJED C=CC[C@H](C)N[C@@H](Cc1cccnc1)c1ccc(Cl)cc1 544826881 HMLIIUGSXOMZRY-KSSFIOAISA-N 300.833 4.573 30 20 DJED N#Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)c(F)c1 548934798 SSMCWIWNUNAYSZ-ACDBMABISA-N 320.411 4.608 30 20 DJED CC(C)(C#N)c1ccccc1CN1CC[C@@H](c2ccccc2F)C1 550210432 BXEZYGUKXOGEID-MRXNPFEDSA-N 322.427 4.616 30 20 DJED C=C1CCN(C(=O)c2ccccc2Nc2ccc(C)cc2)CC1 561492133 GQOCAKLTDBFQIT-UHFFFAOYSA-N 306.409 4.531 30 20 DJED CCCc1cc(C(=O)Nc2ccccc2CC#N)ccc1Cl 561798621 FGZMQIAMUFKVQJ-UHFFFAOYSA-N 312.800 4.611 30 20 DJED C=CCC(CC=C)C(=O)N(Cc1ccc(OC)cc1)C(C)(C)C 566999226 UNEZKEBYEPKZAB-UHFFFAOYSA-N 315.457 4.591 30 20 DJED CC(C)(C#N)CCCN1CCC(c2ccnc3ccccc23)CC1 569738365 BLGUWNIILBLSLJ-UHFFFAOYSA-N 321.468 4.744 30 20 DJED Cc1c([C@H](C)N[C@H]2CCc3ccc(C#N)cc32)oc2ccccc12 573048871 YHCWHDFIXLBNMY-LIRRHRJNSA-N 316.404 4.951 30 20 DJED C[C@@H](c1ccccc1Br)N1CCC(CCC#N)CC1 575284329 MTCZHUNTBUKULO-ZDUSSCGKSA-N 321.262 4.526 30 20 DJED CC(C)Oc1ccccc1[C@@H](C)NC1CCC(C)(C#N)CC1 584760891 PWMCAPOLWDQODB-MDCZIUGASA-N 300.446 4.597 30 20 DJED CC[C@H](c1ccccc1)N(C(=O)c1sccc1C#N)C(C)C 598886827 WYADGAPTBRJIPO-MRXNPFEDSA-N 312.438 4.622 30 20 DJED Cc1c(Br)cccc1N[C@H](C#N)C1CCCCC1 609676924 GFXAPYRYCPTVHS-OAHLLOKOSA-N 307.235 4.642 30 20 DJED C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)CCC2 619755046 RMBLQPRQEIMKHC-ZDUSSCGKSA-N 310.828 4.551 30 20 DJED COc1cc(/C=C2/Cc3c(C)cccc3C2=O)ccc1SC 729149283 CVKLFNYAOVHACU-ZROIWOOFSA-N 310.418 4.548 30 20 DJED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)C(C)C)n2)cc1 733679021 AFUUZPTUBMXLFS-UKRRQHHQSA-N 312.438 4.587 30 20 DJED Cc1cc(C(=O)O[C@@H](C)CC#N)sc1-c1cccc(Cl)c1 733710923 MSGQJOOOZYOMLB-NSHDSACASA-N 319.813 4.836 30 20 DJED CSc1ccc(C(=O)/C=C/c2c(F)cccc2F)cc1F 741847551 PLRCVJDPYKPEPN-VOTSOKGWSA-N 308.324 4.722 30 20 DJED COc1ccc(/C=C2\Cc3cc(Cl)ccc3C2=O)cc1Cl 742437801 RIIVVCVBOFRIPQ-WUXMJOGZSA-N 319.187 4.824 30 20 DJED Cc1ccccc1C1CC(=NNc2ccc(OC(F)F)cc2)C1 743439329 ZDMWHFVXVCDITC-UHFFFAOYSA-N 316.351 4.942 30 20 DJED COc1cc(/C=C\C(=O)c2c[nH]c3ccccc23)ccc1SC 746341747 HNHCBGFXZGODCQ-CLFYSBASSA-N 323.417 4.795 30 20 DJED CC[C@@H](C)Oc1cc(/C=C\C(=O)c2ccsc2)ccc1OC 749452666 MWKJLTAECCUKGK-SCXUMTSISA-N 316.422 4.830 30 20 DJED O=C(/C=C\c1cc(F)c(O)c(F)c1)c1ccc2ccccc2c1 749886822 QOXAIHPUUUYJRO-YVMONPNESA-N 310.299 4.720 30 20 DJED CC1(C)CCC/C(=C/c2ccccc2OCc2ccccn2)C1=O 757535351 QUHPFWZDEKETTC-VKAVYKQESA-N 321.420 4.823 30 20 DJED Cc1ccc2cccc(N[C@@H](C)c3ccc(C#N)c(F)c3)c2n1 777626408 RZLHZYPNGDBZKB-ZDUSSCGKSA-N 305.356 4.727 30 20 DJED CCc1cccnc1C(C)=NNc1ccnc2cc(Cl)ccc12 779757415 FLPQAPJKUCKQLF-UHFFFAOYSA-N 324.815 4.682 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1sccc1Cl 782328108 OBIQSSZUPRJWGZ-AATRIKPKSA-N 308.834 4.692 30 20 DJED CCCCCCCCC(=O)Nc1cccc(NC(=O)OC)c1C 798055137 QGQPKTNZLHCIMY-UHFFFAOYSA-N 320.433 4.862 30 20 DJED CC(C)(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1CC1 806450549 QFDQJMWPGOTHDL-LJQANCHMSA-N 318.420 4.717 30 20 DJED CCOc1ccc(NN=Cc2cccc(-c3cccnc3)c2)cc1 814984139 KSZPSFZKFHIECV-UHFFFAOYSA-N 317.392 4.593 30 20 DJED CSCc1cnc(/C=C/C(=O)c2cccc(C3CC3)c2)s1 834444904 WNLCPIITTDHNOK-BQYQJAHWSA-N 315.463 4.780 30 20 DJED CC[C@@H](C)c1ccc(C(=O)/C=C/c2cn(C)nc2C(F)F)cc1 863196965 BSXUQABDHYFGBZ-BZYZDCJZSA-N 318.367 4.767 30 20 DJED C=C1CCC(C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)CC1 889532114 UXUJXSKVDGXKRR-QGZVFWFLSA-N 324.424 4.628 30 20 DJED CC[C@H](c1ccccc1)[S@](=O)CCCCC1(C#N)CCC1 899285887 KIERCDZWNXOPTQ-DYESRHJHSA-N 303.471 4.751 30 20 DJED CCCCCCCCCN(C)C(=S)NCc1cccs1 918722870 MFECWHWQRPGKCV-UHFFFAOYSA-N 312.548 4.805 30 20 DJED CCOc1cccc(C=Nc2cc(Cl)ccc2SC)c1O 920755512 LXLJPARXAGVVSU-UHFFFAOYSA-N 321.829 4.917 30 20 DJED Cc1cc(C)cc([C@@H](NCC(C)(C)CCC#N)c2cccnc2)c1 926426635 LAOGKLLCGXTTGJ-FQEVSTJZSA-N 321.468 4.707 30 20 DJED Cc1ccc([C@H]2CCC[C@H]2Nc2ccc(OCC#N)cc2)cc1 1116639413 MBYDRDFRSKRDBG-WOJBJXKFSA-N 306.409 4.646 30 20 DJED C=CCCCCNC(=O)c1nc(-c2ccccc2)oc1C(C)C 1116654140 OUTCMNLBJFMDGL-UHFFFAOYSA-N 312.413 4.551 30 20 DJED C[C@@H]1CCC[C@@H]1CC(=O)Nc1scc(C(C)(C)C)c1C#N 1129478621 UPTWYOXLNBLRNW-VXGBXAGGSA-N 304.459 4.682 30 20 DJED Cc1ccc(C2(CNc3ncc(C#N)cc3F)CCCC2)c(C)c1 1186585871 SFKFOEKVRZDLPX-UHFFFAOYSA-N 323.415 4.633 30 20 DJED CCCCN(Cc1cc(C#N)ccc1OC)[C@H](C)c1ccccc1 1191164506 FLKMNWTVVFJNQN-QGZVFWFLSA-N 322.452 4.930 30 20 DJED CSc1ccc(Cl)c(NCc2ccc(C#N)cc2F)c1 1206646164 PIWWSYPICNDGOT-UHFFFAOYSA-N 306.793 4.685 30 20 DJED CCC(CC)(NCC1(C#N)CC1)c1ccc(Cl)c(Cl)c1 1307566032 GJAIWQYYVOSQPB-UHFFFAOYSA-N 311.256 4.902 30 20 DJED CCc1ccc([C@H]2CCCN(Cc3ccc(C#N)cc3F)C2)cc1 1308748751 MHRGMWYUUZBMJM-IBGZPJMESA-N 322.427 4.639 30 20 DJED C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(C)(C)C)cc1 1351235172 ZZQPOLMTSPZGRK-OAHLLOKOSA-N 320.436 4.673 30 20 DJED N#Cc1ccc(C(=O)N[C@@H](CC2CCCCC2)c2ccccc2)o1 1357590577 BEAAQJHODWZWAJ-SFHVURJKSA-N 322.408 4.593 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CCCCC1(C)C 1444280764 NCRDHILDQAIOCL-OAHLLOKOSA-N 313.445 4.535 30 20 DJED Cc1cc(Cl)c(NC(=O)c2ccc(C#N)cc2F)cc1Cl 1458185231 WIYIKYZRSZKSFU-UHFFFAOYSA-N 323.154 4.565 30 20 DJED CCC(CC)(CN[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1 1474640883 QFHDDCVYFXWPPD-CRAIPNDOSA-N 302.437 4.555 30 20 DJED CC(C)c1cccc(C(=O)N[C@H](CCC#N)c2ccccc2)c1 1519315067 ZNCAUGBWQPNFKQ-LJQANCHMSA-N 306.409 4.585 30 20 DJED C[C@@H](OC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cccc(C#N)c1 1534857043 IRWSEYCKOJSOBY-TWKWOARYSA-N 311.425 4.769 30 20 DJED Cc1ccccc1[C@H](CC(C)C)NCc1ccc(F)cc1C#N 1559702368 PZEOHSIYQRQQJY-FQEVSTJZSA-N 310.416 4.883 30 20 DJED C[C@@H](CCC1CCCCC1)Nc1ccc(F)cc1OCC#N 1560743279 KJKFVGAGBYXXRM-AWEZNQCLSA-N 304.409 4.889 30 20 DJED CCc1ccc([C@H](C#N)N(C)C(=O)CCC2CCCCC2)cc1 1595964733 KJYTYMZNACKDNM-IBGZPJMESA-N 312.457 4.633 30 20 DJED CCOc1ccc(C#N)cc1NC[C@H](C)CC1CCCCC1 1620962586 KFZKDTADJFFOAK-OAHLLOKOSA-N 300.446 4.975 30 20 DJED CSc1ccc(CSCc2cccc(C#N)c2F)cc1 1641102601 GJJAHNMHFGLCHO-UHFFFAOYSA-N 303.427 4.853 30 20 DJED Cc1ccccc1SC[C@H](C)CN[C@H](C)c1cccc(C#N)c1 1644465421 LYUBEDBCPOZCMB-NVXWUHKLSA-N 324.493 4.946 30 20 DJED C[C@@H](CCC(C)(C)C)NCc1cc(C#N)ccc1Br 1657247693 LFFPOOBCMDDOAK-LBPRGKRZSA-N 323.278 4.625 30 20 DJED C=C(CNC(=O)NC[C@H]1CCCC[C@@H]1CCC)c1ccccc1 1686699455 WXAFWHPGPYMRCC-RBUKOAKNSA-N 314.473 4.606 30 20 DJED COc1cccc2cc(/C=C3\CCc4ccccc4C3=O)oc12 45299520 JAALWFGQUFJCBM-SDNWHVSQSA-N 304.345 4.654 30 20 DJED Cc1cccc(C(=O)Nc2ccccc2SCCC#N)c1C 108200178 OJFRCZGYFMRTHA-UHFFFAOYSA-N 310.422 4.562 30 20 DJED CSc1ccsc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 177769052 UEDRKVWQGRNJME-SECBINFHSA-N 322.480 4.540 30 20 DJED C[C@H](Nc1ccc(Nc2ncccc2C#N)cc1)c1ccccc1 301520534 GSGSCAOKKBXEQE-HNNXBMFYSA-N 314.392 4.870 30 20 DJED Cc1ccc(-c2nc(CC/N=C(/O)[C@H]3CC34CCCC4)co2)cc1 329951698 IIWAXPMUUGVUFG-QGZVFWFLSA-N 324.424 4.729 30 20 DJED C=CCC[C@H](NCc1cc[nH]c1)c1ccc(C(F)(F)F)cc1 345017194 ISUQHPSGOHJVQT-INIZCTEOSA-N 308.347 4.831 30 20 DJED C[C@H](CCC(C)(C)C)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425132448 RDDPPQZHPUJKGH-HUUCEWRRSA-N 300.446 4.540 30 20 DJED C=C(C)C(C)(C)C(=O)N1CC[C@H](C(F)(F)F)c2ccccc21 425600318 BXQUYZIQHKAVLE-ZDUSSCGKSA-N 311.347 4.672 30 20 DJED N#C[C@H]1CC[C@@H](NCC2(c3ccc(F)cc3Cl)CCCC2)C1 442847433 CJUNURZHBFPDHO-DZGCQCFKSA-N 320.839 4.573 30 20 DJED C=CC[C@H]1N(C(=O)Nc2c(F)cccc2F)CCCC1(C)C 444815355 FKWOTTSBFDIILR-CQSZACIVSA-N 308.372 4.563 30 20 DJED CCC(C)(C)OCc1ccccc1N[C@H]1CCC[C@@H](C#N)C1 446757031 PPYGFDOOFQDWRI-WBVHZDCISA-N 300.446 4.886 30 20 DJED N#CCCCSCc1cc(Cl)ccc1Br 461249957 RPGIFGKWVSNRFY-UHFFFAOYSA-N 304.640 4.639 30 20 DJED C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1cccc(C#N)c1 462260294 ULYGCYAKRHVRRE-JTQLQIEISA-N 319.191 4.607 30 20 DJED C=C[C@](C)(CC)C(=O)N1CCC(F)(c2cccc(Cl)c2)CC1 466890306 JDWTXNRKMDZCCQ-QGZVFWFLSA-N 323.839 4.730 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1ccc(Cl)cc1Br 467969906 NSYQBVIVSWAPHZ-CYBMUJFWSA-N 316.626 4.643 30 20 DJED Cc1cccc(Oc2ccc(Cl)cc2NC(=O)[C@H](C)C#N)c1 468222401 YIUDSTMVOZYUOR-GFCCVEGCSA-N 314.772 4.539 30 20 DJED C=CCCCCNC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 471702450 VNJJXHOIDIBMCP-ZDUSSCGKSA-N 313.363 4.672 30 20 DJED Cc1ccc(Cl)cc1NC(=O)C[C@@H](CC#N)c1ccccc1 474095744 NJXQNSZNBXAEDO-OAHLLOKOSA-N 312.800 4.675 30 20 DJED CC(C)(C#N)CCCN1CCC[C@H](c2ccc(F)cc2)CC1 481455379 ADCJNBKFEFVMMI-INIZCTEOSA-N 302.437 4.725 30 20 DJED N#Cc1ccc(C(=O)N(Cc2ccsc2)c2ccccc2)s1 487695565 NFLYYBXGMAPUDO-UHFFFAOYSA-N 324.430 4.528 30 20 DJED C=C(C)CN(CC)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 499820737 DMPOZJLCAFMCGY-KBPBESRZSA-N 312.240 4.522 30 20 DJED Cc1cc(N[C@H](C)c2ccc(C(C)(C)C)cc2)nn1CCC#N 504382915 XWFQNGXALOFNIG-OAHLLOKOSA-N 310.445 4.576 30 20 DJED N#Cc1cnc(Nc2ccc(OC3CCCC3)cc2)c(Cl)c1 513618699 HZGHPCPPNLDMMY-UHFFFAOYSA-N 313.788 4.672 30 20 DJED C[C@H](SCCOc1cccc(F)c1)c1ccc(C#N)cc1 522841424 VAHHOLCLCOWHEU-ZDUSSCGKSA-N 301.386 4.571 30 20 DJED C=C[C@@H](CC(=O)Nc1cccc(OC(F)F)c1)c1ccccc1 534638286 SWKZZRWPVPJUOR-ZDUSSCGKSA-N 317.335 4.586 30 20 DJED CCCCOc1ccc([C@H](C)NCC(C)(C)CCC#N)cc1 567224688 RDJGAWYKQBEWQH-INIZCTEOSA-N 302.462 4.846 30 20 DJED C=CCCO[C@@H](C)c1nc([C@H](c2ccc(C)cc2)C(C)C)no1 579884708 OKHWSQWHKNRJDO-RDJZCZTQSA-N 314.429 4.820 30 20 DJED N#Cc1nc(N2CCC[C@H]2c2ccc(Cl)cc2)sc1Cl 596073372 MYKGEDRVDZLYDU-LBPRGKRZSA-N 324.236 4.663 30 20 DJED CCN(Cc1cc2ccncc2s1)[C@@H](C)c1ccc(C#N)cc1 596983762 GCXWDMVAKVIMQO-AWEZNQCLSA-N 321.449 4.751 30 20 DJED CCC[C@H](NCc1ccc(C#N)cc1C)c1ccc(F)cc1F 614407763 YTCKWTBGTIWMIC-IBGZPJMESA-N 314.379 4.776 30 20 DJED C[C@@H](CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C1CC1 729375897 WFPGWZPWPJRODS-AWEZNQCLSA-N 320.392 4.725 30 20 DJED N#Cc1ccc(CNc2ccc3ccccc3c2)c(OC(F)F)c1 753118236 HSUCKXYNNMTCBO-UHFFFAOYSA-N 324.330 4.925 30 20 DJED COc1cccc(/C=C/C(=O)c2cc3ccc(C)cc3o2)c1OC 754830602 TTYKWUOFEMPILO-MDZDMXLPSA-N 322.360 4.655 30 20 DJED C=CCCOCCCCc1nc(-c2cccc(C(F)F)c2)no1 771507818 KDSWBPPJVHAGQK-UHFFFAOYSA-N 322.355 4.590 30 20 DJED C#CC[C@@H](N[C@@H]1CCSc2c(F)cccc21)c1ccccc1 773105658 IIMFRLMNSCRIIR-QZTJIDSGSA-N 311.425 4.717 30 20 DJED Cc1cccc(/C=C\C(=O)c2ccc(F)cc2F)c1OC(F)F 777914500 IIKJINULJLKOTK-YVMONPNESA-N 324.273 4.771 30 20 DJED C#CCCCCCC(=O)Nc1ccc(-c2csc(C)n2)cc1 779753901 FMWNMSAYWRMKQT-UHFFFAOYSA-N 312.438 4.641 30 20 DJED C[C@@H](CCc1ccccc1)CNc1ccccc1O[C@H](C)C#N 779989775 ZYUFGZTYQYCHIZ-DLBZAZTESA-N 308.425 4.658 30 20 DJED CCCCCCCN(C)[C@H](C)c1cccc(N2CCOC2=O)c1 789366141 TZPJMIJKKDGTCW-MRXNPFEDSA-N 318.461 4.606 30 20 DJED CC(C)(C)c1cnc(/C=C2\Cc3c(F)cc(F)cc3C2=O)s1 790608900 ICDKVUVVXQYKRI-WEVVVXLNSA-N 319.376 4.541 30 20 DJED Cc1ccc(/C=C2\Cc3nc(Cl)ccc3C2=O)cc1Cl 806579273 BFXHCXXMQTZDKJ-IZZDOVSWSA-N 304.176 4.519 30 20 DJED CC[C@@](C)(C#N)c1nc(-c2ccc(SC(C)(C)C)cc2)no1 809440823 TXOMWGDQTHSODA-KRWDZBQOSA-N 315.442 4.818 30 20 DJED C#Cc1cccc(N(Cc2cccs2)Cc2scnc2C)c1 809959950 HBQGDDZJURHDLK-UHFFFAOYSA-N 324.474 4.701 30 20 DJED CSCc1cnc(/C=C2/C(=O)c3ccccc3C2(C)C)s1 834417031 BDWJTAIVUZCRHJ-ZSOIEALJSA-N 315.463 4.564 30 20 DJED O=C(/C=C\c1ccc(OCc2ccncc2)cc1)C1CCCCC1 915988574 WMHQQQPJSNZNAD-FLIBITNWSA-N 321.420 4.823 30 20 DJED N#Cc1cccc2c1CCN2Cc1c(Cl)oc2ccccc12 1171345409 ZHFRXANAZUSUPZ-UHFFFAOYSA-N 308.768 4.521 30 20 DJED N#CCC1(CN[C@H](Cc2ccc(Cl)cc2)c2ccccc2)CC1 1192682050 TUPDRIPOPVNXBQ-LJQANCHMSA-N 324.855 4.907 30 20 DJED C[C@@H](CC1CCCCC1)NC(=O)Nc1ccc(C#N)cc1Cl 1201927773 OJEZAJRPHSJYCF-LBPRGKRZSA-N 319.836 4.692 30 20 DJED N#CCc1cccc(NCc2cccc(Oc3ccccn3)c2)c1 1202436577 VJVZZGPCBJPQKH-UHFFFAOYSA-N 315.376 4.552 30 20 DJED Cc1cc(CN2CC[C@@H](c3ccccc3)C2(C)C)ccc1C#N 1206327728 DQWUEOBFDMSBTD-FQEVSTJZSA-N 304.437 4.635 30 20 DJED CC[C@@H](C)c1nnc(-c2cccc(Nc3ccc(C#N)cc3)c2)o1 1324080600 AFHVFSLDLQSFLT-CYBMUJFWSA-N 318.380 4.865 30 20 DJED C[C@@H](CNc1cccc(CC#N)n1)c1c(Cl)cccc1Cl 1324084782 BUDUEQDTFOZVTA-NSHDSACASA-N 320.223 4.670 30 20 DJED C[C@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1349230677 VJFGDGXTTOVDHZ-AGIUHOORSA-N 316.470 4.509 30 20 DJED Cc1cc(NC(=O)CC2(C#N)CCCCC2)ccc1C(F)(F)F 1361072754 OMAQRHDBOWIROK-UHFFFAOYSA-N 324.346 4.817 30 20 DJED CCCCc1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)cc1 1457759722 JDNLMTYSSLZGJD-OAHLLOKOSA-N 307.393 4.819 30 20 DJED N#Cc1cccc(Oc2ccnc(Nc3cccc(Cl)c3)n2)c1 1458061155 FIBILFZVQLCJTC-UHFFFAOYSA-N 322.755 4.538 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NC/C=C/c1ccc(F)c(F)c1 1461584353 ITBVSBFXYJQJIF-NUALSEBGSA-N 324.374 4.517 30 20 DJED Cc1csc(NC(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)c1C#N 1466472449 LRRVWBHLENIVQF-ZIAGYGMSSA-N 319.474 4.655 30 20 DJED COc1ccccc1[C@H](C)Sc1nc(C)c(C#N)cc1Cl 1472707175 ZLYVJERGYOVAKO-NSHDSACASA-N 318.829 4.777 30 20 DJED Cc1cc(Sc2ccc3c4c(cccc24)CC3)c(C#N)cn1 1472859657 MTTTVHCKMIYTML-UHFFFAOYSA-N 302.402 4.665 30 20 DJED C[C@@H](SC1CCC(C)(C)CC1)C(=O)Nc1cccc(C#N)c1 1473017406 YLVPLHOWZXOMAR-CYBMUJFWSA-N 316.470 4.587 30 20 DJED C[C@@H](c1ccc(Cl)cc1)N(Cc1ccc(C#N)s1)C1CC1 1473229238 PBGJHWOPEZROOG-LBPRGKRZSA-N 316.857 4.999 30 20 DJED CC(C)[C@H](CC(=O)Nc1cccc(CC#N)c1)c1ccccc1 1525934698 WZWCLHPXAYSUDW-IBGZPJMESA-N 306.409 4.521 30 20 DJED N#CC[C@H](C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 1530686415 PPOVYWGNZZKGPZ-LBPRGKRZSA-N 319.191 4.629 30 20 DJED CCCC[C@H](CCC)CNc1ncc(Br)cc1C#N 1639610781 NCGBBNJUVZCCJP-LBPRGKRZSA-N 324.266 4.734 30 20 DJED Cc1ccc(C)c(CSCc2cn3ccccc3c2C#N)c1 1643702200 KCYUYGCMCYSHGQ-UHFFFAOYSA-N 306.434 4.861 30 20 DJED Cc1nsc(NCC(C)(C)c2ccc(F)cc2Cl)c1C#N 1650755493 RDJRIBIUOCLYEC-UHFFFAOYSA-N 323.824 4.505 30 20 DJED Cc1c(Cl)cnc(N2CC(C)(C)[C@H]2c2ccccc2)c1C#N 1651427016 JWVCDJYXWFMPSL-MRXNPFEDSA-N 311.816 4.503 30 20 DJED CCc1csc(SCc2cc(Cl)ccc2OCC#N)n1 1652129691 IFCXRQHOJWXVQT-UHFFFAOYSA-N 324.858 4.554 30 20 DJED C[C@H](c1cccc(C#N)c1)N1CCC(=Cc2cccc(F)c2)CC1 1653827258 SDFCKVCZHHZYAB-MRXNPFEDSA-N 320.411 4.938 30 20 DJED CC(C)CC[C@@H](Nc1cc(C#N)ncn1)c1ccc(Cl)cc1 1654997917 KDIMVTJQDVWKBW-MRXNPFEDSA-N 314.820 4.591 30 20 DJED C[C@@H]1CCc2c(F)cccc2[C@H]1Nc1nc(C#N)c(Cl)s1 1655211835 KPSMGPNYJQADRY-OQPBUACISA-N 321.808 4.543 30 20 DJED CC(C)(C)[C@H]1CCCC(=NNc2ccc(C(=O)O)cc2)CC1 1776013388 VKNJIVKVFDBELO-AWEZNQCLSA-N 302.418 4.779 30 20 DJED CC(=NNc1cc(Cl)ccc1C)[C@@H]1C[C@H](CC(=O)O)C1(C)C 1776106351 BBESVRYXKLQTJO-OCCSQVGLSA-N 322.836 4.573 30 20 DJED N#Cc1cc(Cl)ccc1N[C@H](c1ccccc1)c1ccccn1 68659346 RFQRNYMTDYXJSB-LJQANCHMSA-N 319.795 4.808 30 20 DJED N#Cc1ccc(N2CCC[C@@H]2c2cccs2)cc1C(F)(F)F 111221391 QTGWAHBGWKADQO-CQSZACIVSA-N 322.355 4.980 30 20 DJED C[C@@H](c1ccco1)N(Cc1ccccc1C(C)(C)C#N)C1CC1 135282664 WVQWSSDTLLDPTB-HNNXBMFYSA-N 308.425 4.806 30 20 DJED Cc1c(C#N)cccc1NC(=O)N1CCCCC[C@@H]1c1ccco1 178573681 ZESICBJKNAXFMA-QGZVFWFLSA-N 323.396 4.609 30 20 DJED C=C[C@H](CC(=O)N1CCC(c2ccccc2)CC1)c1ccccc1 179423397 KMPIKLSSYZYCRT-GOSISDBHSA-N 319.448 4.753 30 20 DJED C=CCCC[C@H](C)NC(=O)Nc1ccccc1CC(F)(F)F 179653033 GNRNJXGNNSSITI-LBPRGKRZSA-N 314.351 4.658 30 20 DJED CCc1ccc(C(=O)/C=C\c2ccc(OC(F)F)cc2)s1 210370035 QKQCCQYUGGLPEZ-UITAMQMPSA-N 308.349 4.808 30 20 DJED Cc1noc(C)c1/C=C\C(=O)c1ccc(SCC(F)F)cc1 299735956 LBEHOTBGESKGHY-FPLPWBNLSA-N 323.364 4.545 30 20 DJED N#Cc1ccccc1COc1ccc(Br)c(Cl)c1 313518148 INICYERGHLSZMT-UHFFFAOYSA-N 322.589 4.553 30 20 DJED C#CC[C@H](NCc1cccc(-c2cccnc2)c1)c1ccccc1 371088884 PRGFYGLSYSEHLR-QFIPXVFZSA-N 312.416 4.603 30 20 DJED C=CC[C@@H](CC)NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 410118620 PNJLMMDTLCRJON-CMPLNLGQSA-N 300.229 4.568 30 20 DJED Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCc1ccc(C#N)s1 421892178 WJNNKCLTLHXVSY-SFHVURJKSA-N 321.449 4.577 30 20 DJED C=CCC[C@@H](C(=O)N1CC2(CCC2)[C@H]1C1CC1)c1ccccc1 427597719 XOMCPWNCRJRKSD-RTBURBONSA-N 309.453 4.528 30 20 DJED N#Cc1ccnc(Oc2ccc(C3CC3)cc2Cl)c1Cl 432168524 XQHXEZGOJOEIID-UHFFFAOYSA-N 305.164 4.930 30 20 DJED CC1=C(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCC1 437275312 PTQVFVMNQRREHQ-UHFFFAOYSA-N 318.376 4.789 30 20 DJED CCCCCN(C(=O)Nc1ccc(CC#N)cc1Cl)C(C)C 455707580 SDJIAFWWQCLAHE-UHFFFAOYSA-N 321.852 4.839 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)C[C@H](C)c1ccccc1 461680263 FHMNTAPQVHZKFY-HNNXBMFYSA-N 321.424 4.512 30 20 DJED C=CCC[C@@H](NC(=O)Nc1c(C)cccc1F)c1ccccc1 461922335 WZJYSOXEVQOAHE-QGZVFWFLSA-N 312.388 4.963 30 20 DJED CCC[C@@H](C)N(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 482988091 OTQVSPACCGIFNX-OAHLLOKOSA-N 322.408 4.611 30 20 DJED C=CC[C@H](C(=O)Nc1ccc(COC(C)C)cc1)c1ccccc1 488689680 WMPWKUTUAYCQLS-FQEVSTJZSA-N 323.436 4.910 30 20 DJED CCOc1ccc(CN(CC)[C@@H](C)c2ccc(C#N)cc2)cc1 507689874 UZOHVRDJHBHASU-INIZCTEOSA-N 308.425 4.540 30 20 DJED C=C(C)CCN[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 508968574 XVHDPXBWOVVBIT-INIZCTEOSA-N 308.425 4.556 30 20 DJED C=CCOc1ccc(-c2nnc(SC3CCCCC3)o2)cc1 509061518 UILABJZRVCJIQC-UHFFFAOYSA-N 316.426 4.726 30 20 DJED CC[C@](C)(C#N)NC(=O)c1cc2sc3ccccc3c2s1 522868772 FIPSTAIXKNHMGS-MRXNPFEDSA-N 314.435 4.538 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCc2c(Cl)cccc21 561132722 SFWCXIVKHPTHDR-PMACEKPBSA-N 322.839 4.866 30 20 DJED Cc1cccc2cc(C(=O)Nc3ccccc3CC#N)sc12 583286954 LZKMHOIFUOBJBJ-UHFFFAOYSA-N 306.390 4.528 30 20 DJED C=CCN(Cc1cccs1)C(=O)[C@H](C)c1ccc(CC)cc1 589897251 KHNCLRRBEPIPOR-OAHLLOKOSA-N 313.466 4.629 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C[C@@H](C)CC(C)(C)C 603956801 DILYKLGHGRHXLP-MRXNPFEDSA-N 314.473 4.758 30 20 DJED C[C@]1(C#N)CCCN(c2ccc3ccc(Cl)c(Cl)c3n2)C1 612106483 BWCJPRYOMGKLID-MRXNPFEDSA-N 320.223 4.672 30 20 DJED CC(C)[C@H](CC(F)(F)F)N[C@@H]1CCCc2cc(C#N)ccc21 615096754 IRALZWDKRSAUHY-CVEARBPZSA-N 310.363 4.502 30 20 DJED CC[C@@H](Nc1ccc(C)c(NC(C)=O)c1C)c1ccc(C#N)cc1 618572960 DTKBRFWVDPSIGD-GOSISDBHSA-N 321.424 4.697 30 20 DJED N#Cc1cccc(/C=C/C(=O)c2cccc(Cl)c2Cl)c1 734979853 FJFAFUGBQIFJRI-BQYQJAHWSA-N 302.160 4.761 30 20 DJED C#CCOc1ccc(N[C@@H](CC)c2ccc(F)cc2F)cc1 738426740 VQLUPGLDRAFELL-SFHVURJKSA-N 301.336 4.540 30 20 DJED COCc1cccc(/C=C\C(=O)c2oc3ccccc3c2C)c1 742432397 VWDIZIIBKOWYDA-KHPPLWFESA-N 306.361 4.784 30 20 DJED Cc1ccc(-c2ccsc2C(=O)OCC2(CC#N)CC2)cc1 744277377 IQEKLDDBGPVMEA-UHFFFAOYSA-N 311.406 4.574 30 20 DJED C[C@@H]1CC(=NNc2nccnc2Cl)C[C@@H](c2ccccc2)C1 749858091 HAFHBFNRRUURNN-JSGCOSHPSA-N 314.820 4.502 30 20 DJED CCCCCCCCC(=O)Nc1ccccc1O[C@@H]1CCOC1 760049001 GWHUNRAGOZRTJN-MRXNPFEDSA-N 319.445 4.543 30 20 DJED N#Cc1c(F)ccc(/C=C\C(=O)c2cccc(F)c2F)c1Cl 761477942 CHMMEEHCQQUFCC-ALCCZGGFSA-N 321.685 4.525 30 20 DJED O=C(/C=C\c1ccn(-c2ccccc2)n1)c1cc2ccccc2o1 766777724 DVOZQUDNSQEERA-KHPPLWFESA-N 314.344 4.515 30 20 DJED N#CCc1cccc(NCc2cccc(Oc3ccccc3)c2)n1 771756050 FNOGTDHRBHKCCD-UHFFFAOYSA-N 315.376 4.552 30 20 DJED C=C[C@H]1CCCCN1C(=O)c1cc2c3ccccc3n(C)c2s1 785856397 OUPBVTFDZYPHGY-ZDUSSCGKSA-N 324.449 4.574 30 20 DJED Cc1ccc(C(=O)/C=C/c2cnc(-c3ccco3)s2)s1 789129505 GBLJSVIUTKZMEC-AATRIKPKSA-N 301.392 4.669 30 20 DJED O=C(/C=C/c1cnc(-c2ccco2)s1)c1cccc(F)c1F 789147028 FKSWWYLKLDBZBX-VOTSOKGWSA-N 317.316 4.577 30 20 DJED CC(=NNc1cc(C)c2ccc(C)c(C)c2n1)c1ccnc(F)c1 794889193 WLYOGQFTOROFBU-UHFFFAOYSA-N 322.387 4.530 30 20 DJED Cc1cc(C)c(C)c(OC(=O)C[C@H](CC#N)c2ccccc2)c1 796540611 VBMUSNKKHHGBND-SFHVURJKSA-N 307.393 4.605 30 20 DJED CC(=NNc1cc(F)c(F)cc1F)c1c(F)cccc1Cl 807972394 CPMWHSKKVNSABO-UHFFFAOYSA-N 316.685 4.733 30 20 DJED C=CCc1cc(/C=C2/C(=O)c3ccccc3[C@@H]2C)cc(OC)c1O 809159110 IIKUMLDZHDBLNN-FHXOWUIVSA-N 320.388 4.513 30 20 DJED CC(C)(C#N)CCCOC(=O)CCCc1ccccc1Cl 811350142 IXYCRJXPZAEAGS-UHFFFAOYSA-N 307.821 4.536 30 20 DJED CCCCc1oc2ccccc2c1C=NN[C@H](C)c1ccncc1 819815140 MKHPRTVWPULGMT-OAHLLOKOSA-N 321.424 4.855 30 20 DJED C=C[C@](C)(CC)C(=O)N1CCC(c2ccnc3ccccc23)CC1 854756984 CFVSLTFAUMYZEK-OAQYLSRUSA-N 322.452 4.543 30 20 DJED CC(C)(C)c1ccc(/C=C/C(=O)Nc2sccc2C#N)cc1 887553742 SCFILWVSHFOENH-RMKNXTFCSA-N 310.422 4.569 30 20 DJED Cc1noc(C)c1/C=C/C(=O)c1ccc(OCCC(C)C)cc1 916151120 ZLAJEJNHOAANQT-MDZDMXLPSA-N 313.397 4.612 30 20 DJED CC(=NNc1ccccc1C(F)(F)F)c1cc(C)ccc1O 916260075 USVFEXPBHWFCMC-UHFFFAOYSA-N 308.303 4.556 30 20 DJED Clc1cc(Cl)c(NN=Cc2cccs2)nc1Cl 916317905 JYAVMLOWFJDSFW-UHFFFAOYSA-N 306.605 4.549 30 20 DJED C=CCN(CC1CCCCC1)[C@H](C(=O)O)c1ccccc1Cl 1118315878 JHFOTPXKJLNABM-KRWDZBQOSA-N 321.848 4.534 30 20 DJED Cc1cccc(C)c1OC[C@@H](NCCC(C)(C)C#N)C(C)(C)C 1168766799 VHDKZRMBWGZIGH-QGZVFWFLSA-N 316.489 4.626 30 20 DJED N#Cc1cccc(CN2CC3(CCCC3)c3cccc(F)c32)c1F 1169234060 PPHJSFZKKPFRQE-UHFFFAOYSA-N 324.374 4.668 30 20 DJED C[C@H](CCC#N)CN1CC=C(c2cccc3ccccc23)CC1 1180175953 ZSUMSPRQXJXSKS-QGZVFWFLSA-N 304.437 4.869 30 20 DJED CCCC[C@H](C)[C@@H](C)Nc1ccc(NC(=O)OCC)c(C#N)c1 1308681384 PMVLHOKEWCZKTC-UONOGXRCSA-N 317.433 4.753 30 20 DJED CCCCCC[C@@H](C)CC(=O)Nc1ccc(OCC#N)cc1 1321475951 UCUKRDJUULFXTP-OAHLLOKOSA-N 302.418 4.524 30 20 DJED Cc1cccc([C@@H]2CCCN2C(=O)CC2(C#N)CCCCC2)c1C 1444495289 AEAYOABZRZEFQK-IBGZPJMESA-N 324.468 4.831 30 20 DJED CC1(C)CCCC[C@@H]1CC(=O)N[C@H]1CCCc2cc(C#N)ccc21 1460983082 MUKWTSRFGUVHNT-MJGOQNOKSA-N 324.468 4.658 30 20 DJED Cc1c(C(=O)O[C@H](C)c2ccc(C#N)cc2)oc2ccccc12 1533618816 HJYNDXFXHIEUEO-CYBMUJFWSA-N 305.333 4.531 30 20 DJED N#Cc1ccc(OC/C=C/c2ccc(Cl)cc2)cc1Cl 1559401143 VXIUJKSRHPLQKU-OWOJBTEDSA-N 304.176 4.957 30 20 DJED CCCC[C@@H](CC)CCCN(C)C(=O)[C@@]1(C#N)CC12CCCC2 1586673267 NQVAJYJCDFMKHE-XLIONFOSSA-N 318.505 4.915 30 20 DJED CCCc1ccc([C@H](Nc2ncc(C#N)cc2F)C(C)C)cc1 1639407323 ZVQAKBUFXJKMMK-GOSISDBHSA-N 311.404 4.854 30 20 DJED CCCN(Cc1ccc(C#N)cc1)[C@@H](C)CCc1ccccc1 1641515346 GDICOWJKXZKZNE-SFHVURJKSA-N 306.453 4.792 30 20 DJED CCc1nc(C#N)cc(Sc2ccc(-c3ccccc3)cc2)n1 1642095505 PAFSNZSVWNBVCH-UHFFFAOYSA-N 317.417 4.729 30 20 DJED CCC[C@H](Nc1nc(C(F)(F)F)ccc1C#N)C1CCCC1 1642786645 BLGITWBAWIZXEG-ZDUSSCGKSA-N 311.351 4.743 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1cccc(F)c1Cl 1644018007 JYCXVJIPVQUFAF-UHFFFAOYSA-N 310.155 4.892 30 20 DJED N#Cc1cccc(CN2CCC[C@@H]2CCC2CCCC2)c1F 1644947025 METHTMYXLIMQDT-GOSISDBHSA-N 300.421 4.632 30 20 DJED Cc1ccc([C@H]2CCN(Cc3ccc(C#N)cc3Cl)C2)c(C)c1 1653511408 XGAQSUIXVXLSAY-KRWDZBQOSA-N 324.855 4.818 30 20 DJED C[C@@H](COc1nc2c(cc1C#N)CCCCC2)C1CCCCC1 1656822919 GTKRGXHPOHGRAP-HNNXBMFYSA-N 312.457 4.817 30 20 DJED CC1(C)C[C@H](c2ccccc2)N(Cc2ccc(C#N)cc2F)C1 1659508798 ZNSBACBGYWMAFG-LJQANCHMSA-N 308.400 4.671 30 20 DJED CCc1ccccc1CCN1CCC(c2ccc(C#N)cc2)CC1 1660381744 IYBJODSEBFAEGV-UHFFFAOYSA-N 318.464 4.543 30 20 DJED Cc1cc(C#N)cc(NC(=O)N[C@@H](C)c2cccc(C3CC3)c2)c1 1670905485 FSUTUTLKPLXMFE-AWEZNQCLSA-N 319.408 4.627 30 20 DJED C[C@H]1CC[C@H](C)N1CCC(C#N)(c1ccccc1)c1ccccc1 60128899 JZKKWPZBJCRTTF-OALUTQOASA-N 318.464 4.759 30 20 DJED C[C@H](NCc1cc(C#N)cs1)c1ccc(Cl)cc1Cl 93492092 CDPNWJDYCDDEKX-VIFPVBQESA-N 311.237 4.777 30 20 DJED C=CCS[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 114757333 AXRKVLNOWIBKPR-MRVPVSSYSA-N 323.767 4.605 30 20 DJED C[C@@H](N[C@H](C)c1cnc2ccsc2c1)c1ccc(C#N)cc1 126491058 AZKQZWXCBOQPGH-CHWSQXEVSA-N 307.422 4.580 30 20 DJED N#CCC[C@@H](NCc1ccc(C(F)(F)F)cc1)c1ccccc1 130408726 XBGSBWYKGJNWND-QGZVFWFLSA-N 318.342 4.840 30 20 DJED CC(C)CCOc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 236578443 JARKBHHWZGSIRQ-QGZVFWFLSA-N 322.452 4.834 30 20 DJED C=CCOc1ccc(CN[C@H]2CCCc3occc32)cc1Cl 237827009 HESXMIQDRJHIBW-INIZCTEOSA-N 317.816 4.665 30 20 DJED N#Cc1csc(CNc2ccccc2Cc2ccccc2)c1 237850307 JRZTUCDCWYRDAY-UHFFFAOYSA-N 304.418 4.823 30 20 DJED CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccccc1S[C@H](C)CC#N 249419234 HGLQDUJSQZCIDG-HBUWYVDXSA-N 316.470 4.702 30 20 DJED CC(C)(C)OCc1cccc(CNc2ccc(F)cc2C#N)c1 301430739 VJWDMQNRDVBEJI-UHFFFAOYSA-N 312.388 4.625 30 20 DJED CC[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1cccc(Cl)c1 302569615 YIVLLPVWNWEPLK-HNNXBMFYSA-N 315.760 4.683 30 20 DJED C[C@@H]1C[C@H](C(O)=Nc2nc3c(Cl)cccc3s2)CCC1=O 330138199 OFZJHQOGWZMXHB-RKDXNWHRSA-N 322.817 4.543 30 20 DJED N#CCCCCN1CCC(c2ccccc2C(F)(F)F)CC1 353571816 JAQONVPXCCUWEI-UHFFFAOYSA-N 310.363 4.579 30 20 DJED C=CCC[C@H](NC(=O)N1CC[C@@H]1c1ccccc1)c1ccccc1 435101608 CIKDODYUHXQZCA-VQTJNVASSA-N 320.436 4.851 30 20 DJED C[C@@H](CCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 441294320 GOJZWARMVRTSCY-ZDUSSCGKSA-N 324.449 4.631 30 20 DJED N#CCC[C@H](NC(=O)Nc1ccc2ccoc2c1)c1ccccc1 443372724 BOAYVZGWHKTTHR-KRWDZBQOSA-N 319.364 4.599 30 20 DJED N#C[C@@H]1CC[C@H](SCCCCS[C@@H]2CC[C@@H](C#N)C2)C1 450938537 ZDZCJDLQMPTEPQ-FPCVCCKLSA-N 308.516 4.618 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 467330244 HGVCYHVLNJPYEA-UHFFFAOYSA-N 315.747 4.648 30 20 DJED C=CCC(CC=C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 476461170 RQUASAKUGNCBFI-UHFFFAOYSA-N 317.860 4.814 30 20 DJED C=CCC[C@H](CC)N[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 483637515 HTDYIPJHXBXUCZ-HIFRSBDPSA-N 317.408 4.580 30 20 DJED Cc1ccc(C#N)cc1NC(=O)CCC(C)(C)c1ccccc1 513827566 RDAGMNNCZVWULD-UHFFFAOYSA-N 306.409 4.563 30 20 DJED C[C@@H]1C[C@@H]1[C@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 525181532 XYHRQAAMSAWQIZ-ZNZDAUKMSA-N 310.828 4.699 30 20 DJED Cc1ccc(-n2nc(N[C@H](C)c3ccc(C#N)cc3)cc2C)cc1 527501820 PYZKAMNKMHOQBO-MRXNPFEDSA-N 316.408 4.534 30 20 DJED CC[C@@H](C)[C@H](NCc1ccc(C#N)o1)c1ccc(Cl)cc1 538430082 RBAFXWWMRKMJQO-PXAZEXFGSA-N 302.805 4.682 30 20 DJED C=CC[C@H](C)[C@H](C)Nc1cccc2c1CN(c1ccccn1)C2 538592112 LDKMEJCJYDBYQB-HOTGVXAUSA-N 307.441 4.614 30 20 DJED COc1ccccc1[C@@H](C)SCc1cccc(C#N)c1F 539248968 KUPDQAANDBSBSD-GFCCVEGCSA-N 301.386 4.700 30 20 DJED N#C[C@@H](C(=O)c1cccc(C2CCC2)c1)c1nc2ccccc2o1 547387042 SWSIWIRJLYYSGN-INIZCTEOSA-N 316.360 4.585 30 20 DJED N#CCc1cc(Cl)ccc1NC(=O)c1cccc(C2CCC2)c1 569208408 NPBQVIWQAXKZRE-UHFFFAOYSA-N 324.811 4.926 30 20 DJED CC(C)c1c(NCCCC(C)(C)C#N)cnn1-c1ccccc1 575377066 TXDMWZMSMRLXKV-UHFFFAOYSA-N 310.445 4.738 30 20 DJED C=CCCC(=O)N(CCC)[C@@H](C)c1ccccc1Br 588029264 VNDXYRBTGANMLO-ZDUSSCGKSA-N 324.262 4.715 30 20 DJED C[C@H](NC(=O)Nc1cccc(C2CCC2)c1)c1cccc(C#N)c1 589775672 AHHKVVHDQYAZFG-AWEZNQCLSA-N 319.408 4.708 30 20 DJED C[C@@H](N[C@@H](C#N)c1ccccc1)c1ccc(OCC2CC2)c(F)c1 595422403 XJUSVEQLCQIVIX-KUHUBIRLSA-N 324.399 4.530 30 20 DJED C[C@@H](CC#N)N[C@@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1 602867925 FPVWZQJBEQQZMF-UWVGGRQHSA-N 324.211 4.601 30 20 DJED CC[C@H](Cc1cccs1)Nc1cccc(OCCCC#N)c1 611468533 PFFBMFJITWHNKT-OAHLLOKOSA-N 314.454 4.864 30 20 DJED C=CC[C@H]1CCCN(C(=O)Nc2cc(SC)ccc2C)C1 666571349 NUNJMZVKOIUDBG-AWEZNQCLSA-N 304.459 4.537 30 20 DJED Cc1c(C(=O)/C=C\C2=Cc3ccccc3OC2)oc2ccccc12 726744134 UDBNAKXLVIMEHJ-KHPPLWFESA-N 316.356 4.956 30 20 DJED COc1cc(C(=O)/C=C\c2ccc(F)c(C)c2)ccc1SC 729151778 XQYPXBSPOKONJO-YVMONPNESA-N 316.397 4.761 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc(OC(F)F)c(Cl)c2)o1 731489308 CGDDWXWHZDBIJC-HYXAFXHYSA-N 312.699 4.739 30 20 DJED O=C1/C(=C/c2ccc(F)cc2)CCOc2c(Cl)cccc21 733749246 UFZFBGHPQKDRPY-ZRDIBKRKSA-N 302.732 4.528 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)[C@H](C#N)c1nc(C)cs1 734079495 RBRZBGKEZVQAIA-CABCVRRESA-N 304.459 4.624 30 20 DJED O=C1/C(=C\c2ccc(C(F)(F)F)cc2)Cc2cc(F)ccc21 734305624 YMIZEAXKGRDIET-GHXNOFRVSA-N 306.258 4.667 30 20 DJED N#Cc1ccc2c(c1)CC/C(=C\c1cccc3ccccc13)C2=O 742436596 CMYOLVNHLZNAET-CPNJWEJPSA-N 309.368 4.924 30 20 DJED CCCCCC[C@H](C)NN=C(C)c1c(C)nn(C(C)C)c1C 743451095 ZPVXNDPSEBWSRC-AWEZNQCLSA-N 306.498 4.753 30 20 DJED C#CC[C@@H](NCc1ccc(Cl)cc1Cl)c1ccccc1 756997323 LVPLMEXHVBKXBJ-QGZVFWFLSA-N 304.220 4.848 30 20 DJED CC(C)CN(C(=O)c1cc(Cl)cs1)c1ccc(C#N)cc1 757979457 CKUOXDSAHSSJJA-UHFFFAOYSA-N 318.829 4.576 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N1CCC[C@@H](N(C)C)CC1 760758249 NRDKITDMMAPPAH-RBUKOAKNSA-N 324.553 4.706 30 20 DJED COC1CCC(=NNc2cc(C)c3ccc(C)c(C)c3n2)CC1 783815752 FUJNPQFQASXCMN-UHFFFAOYSA-N 311.429 4.517 30 20 DJED C=CCC[C@H](NC(=S)Nc1ccsc1)c1ccccc1 790316236 DTCWEEXWIHRKLL-HNNXBMFYSA-N 302.468 4.742 30 20 DJED CCC[C@](C)(CC)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797570987 MQVCVDIUADDFLV-SJCJKPOMSA-N 306.475 4.833 30 20 DJED Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccc2ccccc2c1O 798370381 LIJGNTKNHVNHPR-PKNBQFBNSA-N 320.392 4.527 30 20 DJED CCCCCCCC(=O)Nc1ccc(O)c(COC(C)C)c1 811594620 RJILPZDNBFXFRT-UHFFFAOYSA-N 307.434 4.616 30 20 DJED C=CCC1(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)CCCC1 835040994 HVZWDOGQZHQXIV-INIZCTEOSA-N 304.393 4.548 30 20 DJED C=CC(C)(C)CC(=O)N1CCC(c2ccnc3ccccc23)CC1 880185877 GRHIPSQXELSLPI-UHFFFAOYSA-N 322.452 4.543 30 20 DJED CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)CC1 1128211497 QODKMEFNZAIWIR-BBRMVZONSA-N 318.848 4.546 30 20 DJED N#Cc1ccc(F)c(NC(=O)c2ccc(C3CCCCC3)cc2)c1 1129597864 PQPAIZOWUZCOJI-UHFFFAOYSA-N 322.383 4.997 30 20 DJED CC[C@H](Cc1ccc(Cl)cc1)N[C@@H](C)c1cccc(C#N)c1 1183800154 MHHLXJNNWGSWHT-IFXJQAMLSA-N 312.844 4.884 30 20 DJED Cc1ccccc1SC[C@H](C)CN1CCCC(C)(C)[C@@H]1C#N 1194101487 MITFIMLBLFWKMF-QAPCUYQASA-N 316.514 4.737 30 20 DJED CC[C@@H](C)CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)C)C2 1274181866 HFEQDUNAZLYXIT-OLZOCXBDSA-N 318.486 4.755 30 20 DJED Cc1cc(NCc2cccc(Oc3ccccc3)c2)ncc1C#N 1306930714 BIRNLWQWISNBIU-UHFFFAOYSA-N 315.376 4.666 30 20 DJED COC[C@@H](S[C@@H](C#N)CCc1ccccc1)c1ccccc1 1307405094 LBYZGABNIRRKAT-RTBURBONSA-N 311.450 4.632 30 20 DJED CC[C@@H](C)[C@H](C(=O)OCc1ccc(CC#N)cc1)c1ccccc1 1435686857 NJAOIGHKPJNSHG-UZLBHIALSA-N 321.420 4.626 30 20 DJED COC[C@H](CC(C)C)Nc1ccc(Oc2ccccc2)c(C#N)c1 1462130299 XIOYBGFIQYBXFV-SFHVURJKSA-N 324.424 4.824 30 20 DJED CCN(C[C@H](C)C#N)C(=O)C1(C2CCCCC2)CCCCC1 1464239629 KYEPDHWQDIGVRG-MRXNPFEDSA-N 304.478 4.525 30 20 DJED Cc1ccc(CSc2cccc(C#N)c2)c(Br)c1 1472997399 UCXFGIISFIQERZ-UHFFFAOYSA-N 318.239 4.922 30 20 DJED COc1cccc(CSc2ccc(C#N)c(C)c2)c1Cl 1473049259 SKOUDWHNKZVVOA-UHFFFAOYSA-N 303.814 4.821 30 20 DJED Cc1c(C#N)cccc1NC(=O)NCC(C)(C)C1CCCCC1 1476266755 GDGOXBYSBHLOGB-UHFFFAOYSA-N 313.445 4.595 30 20 DJED Cc1ccc(C#N)cc1NC(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 1524610829 ROCZXROVMLAYEY-NVXWUHKLSA-N 318.420 4.795 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)C3CC(C)(C)C3)c2C#N)[C@H](C)C1 1526730108 CFYXZUOGWHRHCT-WDEREUQCSA-N 316.470 4.680 30 20 DJED CC(C)(C#N)CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCCC1 1544463642 LFDZLHVYBUAQEL-GOSISDBHSA-N 316.420 4.503 30 20 DJED Cc1cc(N2C[C@H](c3ccccc3)c3ccccc32)ncc1C#N 1559179376 VYDDFIOOGUOKCK-LJQANCHMSA-N 311.388 4.545 30 20 DJED Cc1ccnc(NC[C@H]2CCCC[C@@H]2c2ccccc2)c1C#N 1559190524 UCGHEIVLCCLDRU-QZTJIDSGSA-N 305.425 4.648 30 20 DJED CC(C)(C)Cc1ccccc1C(=O)Nc1ccc(C#N)c(F)c1 1583075625 AOHTVQNEWPRTBI-UHFFFAOYSA-N 310.372 4.538 30 20 DJED N#Cc1ccc(CN[C@H]2CCCC[C@H](c3ccccc3)C2)cc1F 1621393112 NEIJXJSSYGZJMQ-ICSRJNTNSA-N 322.427 4.903 30 20 DJED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 1622780519 GCICPONEIPRVHT-UKRRQHHQSA-N 319.836 4.548 30 20 DJED N#Cc1cc2c(nc1S[C@H]1CCc3c(F)cccc31)CCCC2 1643615653 SPYOZXSJOAEQLV-SFHVURJKSA-N 324.424 4.751 30 20 DJED CC[C@@H](c1ccccc1)[C@@H]1CCCN1c1cccc(F)c1C#N 1651600661 ZSLHZDUWQTZCQL-LPHOPBHVSA-N 308.400 4.860 30 20 DJED CSc1ccc([C@H](C)Nc2nc(C#N)c(Cl)s2)cc1 1651795380 RDJYWQILUCJGAA-QMMMGPOBSA-N 309.847 4.563 30 20 DJED CC(C)C[C@@H](Cc1ccc(Cl)cc1Cl)NC[C@H](C)C#N 1652169267 HRJURFVQZSVVRV-DOMZBBRYSA-N 313.272 4.700 30 20 DJED N#Cc1cc(F)ccc1CN[C@@H]1CCCC[C@H]1Cc1ccccc1 1653362243 COPPFDXINHRREN-LAUBAEHRSA-N 322.427 4.588 30 20 DJED Cc1nc(N[C@H]2CC(C)(C)c3ccccc32)c(Cl)cc1C#N 1655255150 FKSAZNWEYONXDS-INIZCTEOSA-N 311.816 4.750 30 20 DJED C[C@H](c1cccc(C#N)c1)N1CCC[C@H](c2ccccc2)CC1 1657174530 JTGQDHRYQSHVGG-XLIONFOSSA-N 304.437 4.889 30 20 DJED COc1ccc(C#N)cc1CN[C@@H](CC(C)(C)C)c1ccccc1 1657976147 OJFJDWFBJWOAPF-IBGZPJMESA-N 322.452 4.834 30 20 DJED O=C(O)c1ccc(NN=C2CCC[C@@H](C3CCCCC3)C2)cc1 1776014415 PURZRBCYHKJNBV-MRXNPFEDSA-N 314.429 4.923 30 20 DJED CC(C)=CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 46443700 AQCSXBADZJBVDE-CYBMUJFWSA-N 316.813 4.606 30 20 DJED CC[C@@H](C)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 56745269 RJKATUVPOQNUMK-CQSZACIVSA-N 323.396 4.613 30 20 DJED C=C(C)CSc1nnc(SCc2ccc(OC)cc2)s1 72645844 XLZJKXGIYLPWGO-UHFFFAOYSA-N 324.496 4.507 30 20 DJED C[C@H](Nc1ccc(CC#N)cc1)c1ccc(OC(F)F)cc1 78991365 BMFFDZAIUVNUSO-LBPRGKRZSA-N 302.324 4.527 30 20 DJED CCc1c(C)sc(NC(=O)c2sccc2SC)c1C#N 107145271 MIMVVEUXCGJTLP-UHFFFAOYSA-N 322.480 4.526 30 20 DJED CC(C)(C#N)c1ccccc1CSc1nnc(C2CC2)s1 121707025 SFCVAAKGCVFOPE-UHFFFAOYSA-N 315.467 4.509 30 20 DJED CC[C@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(F)cc1 158233343 UYLZXQIQSMQJBG-SFHVURJKSA-N 324.399 4.759 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)CCC(F)(F)F 175146288 VLHNWSBSDQXFSB-UHFFFAOYSA-N 324.327 4.568 30 20 DJED CC(C)c1nccn1Cc1cccc(N[C@H]2CCC[C@H](C#N)C2)c1 185727643 UIYCYZVCYARHMU-WMZOPIPTSA-N 322.456 4.549 30 20 DJED C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C 189087617 GFMQBWDUTSCRMK-SUMWQHHRSA-N 308.491 4.697 30 20 DJED C=C(C)CN(CC)C(=O)N[C@H](c1ccccc1)C1CCCC1 195565243 VMZDPEMSYQPARR-GOSISDBHSA-N 300.446 4.526 30 20 DJED N#Cc1ccnc(Oc2ccc(F)c(C(F)(F)F)c2)c1Cl 236257884 BOOQSMBTMCRSCU-UHFFFAOYSA-N 316.641 4.557 30 20 DJED N#Cc1ccc(N2CCC[C@@H]2c2cccs2)c(C(F)(F)F)c1 301318059 BYHOQXJAGUNLHJ-CQSZACIVSA-N 322.355 4.980 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C)c(F)c1 302774037 VMSONNQPRSNGRP-UHFFFAOYSA-N 323.820 4.677 30 20 DJED N#Cc1cccc(C#N)c1Nc1ccc2nc(C3CC3)sc2c1 302870576 BMOSBPADGCWNGA-UHFFFAOYSA-N 316.389 4.661 30 20 DJED Cc1cc(C)cc(C(=O)Nc2ccccc2SCCC#N)c1 341812421 OIUWUTORCWSEGW-UHFFFAOYSA-N 310.422 4.562 30 20 DJED Cc1cccc(-c2nnc([C@H](C)Sc3ccccc3C#N)o2)c1 364268609 AAHHXIPCYPNXHS-ZDUSSCGKSA-N 321.405 4.770 30 20 DJED CCN(Cc1cc2c(F)cccc2[nH]1)[C@H](C)c1ccc(C#N)cc1 437579073 NHBOEQJWNIWYBY-CQSZACIVSA-N 321.399 4.762 30 20 DJED Clc1cccc(C#CCN2CCC[C@H]2c2ccsc2)c1 446762883 RVFBZWSOGNPPSH-KRWDZBQOSA-N 301.842 4.590 30 20 DJED CC[C@H](N[C@H]1c2ccccc2CC[C@H]1C)c1ccc(C#N)cc1 447585107 IDUNAZQYZUTPML-GQWLDOHISA-N 304.437 4.923 30 20 DJED N#Cc1c(Cl)cccc1N[C@@H]1CCO[C@@H](c2ccccc2)C1 450447486 VZMZGEOGQCTLQN-RDTXWAMCSA-N 312.800 4.544 30 20 DJED Cc1nc(SCC2(C#N)CCC2)n(C2CCCCC2)c1C 450710351 BEOGFEXCSDYIKX-UHFFFAOYSA-N 303.475 4.791 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1ccc(Cl)cc1Br 467969907 NSYQBVIVSWAPHZ-ZDUSSCGKSA-N 316.626 4.643 30 20 DJED C=CCCCCN[C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 471599971 XXGFQBBTWBCLIP-MRXNPFEDSA-N 317.477 4.567 30 20 DJED C=CCC[C@H](C(=O)N[C@@H]1CCC[C@H]1SCC)c1ccccc1 475965103 LOOURLPLVHNNLZ-RCCFBDPRSA-N 317.498 4.527 30 20 DJED CCCC[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C1CCC1 476300904 DIWIAGRTCLRFKM-SFHVURJKSA-N 312.457 4.576 30 20 DJED C=CCCCC(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 480555282 OGDQNWFUYCRHRO-NRFANRHFSA-N 319.404 4.995 30 20 DJED C=CCSc1ccccc1C(=O)Nc1cc(C)ccc1F 485469998 QJWRCSCCMKJLQA-UHFFFAOYSA-N 301.386 4.665 30 20 DJED CC[C@H](Nc1cccc(F)c1C#N)c1ccccc1OC(F)F 498811077 YUPVBAHVJHBQED-AWEZNQCLSA-N 320.314 4.862 30 20 DJED C[C@@H]1C[C@@]1(NCCCCC(C)(C)C#N)c1ccc(Cl)cc1 503412476 VCPLWZWTPIMYCE-KDOFPFPSSA-N 304.865 4.885 30 20 DJED CC(C)(C#N)CCCSCc1cccc(OC(C)(C)C)n1 506913202 XDIHUWSEABMYIB-UHFFFAOYSA-N 306.475 4.822 30 20 DJED N#Cc1cnc(N[C@H](c2ccc(F)cc2)C2CCC2)c(Cl)c1 513616026 WWANREGTTHXTNL-INIZCTEOSA-N 315.779 4.699 30 20 DJED C=C(C)CN(CC)C(=O)N[C@@H](c1cccs1)C(CC)CC 515816202 GSLLBJXYUZJBEO-MRXNPFEDSA-N 308.491 4.833 30 20 DJED CC(C)C[C@@H](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N 521729062 FBXZOQGIBHLYFV-HUUCEWRRSA-N 318.486 4.949 30 20 DJED CCC(CC)[C@@H](NCc1cc(C#N)cs1)c1cccs1 530879453 OZQXJCNMGUOQGZ-MRXNPFEDSA-N 304.484 4.948 30 20 DJED CC#CCCCC(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 553636239 QCRJAHAWICMVAQ-UHFFFAOYSA-N 324.251 4.678 30 20 DJED C=CCC[C@H](Nc1cnn(Cc2ccccc2)c1)c1ccco1 556894809 FXUTVBBTSQPOTA-SFHVURJKSA-N 307.397 4.644 30 20 DJED CC[C@H](c1ccccc1)N(C(=O)CCCCCC#N)C(C)C 598884825 GWWOVVKCDINUIK-GOSISDBHSA-N 300.446 4.849 30 20 DJED Cc1ccc2[nH]c3c(c2c1)CN(c1cccc(Cl)c1C#N)CC3 603849861 FXWNDCPTMMNPQW-UHFFFAOYSA-N 321.811 4.564 30 20 DJED C[C@@H](Nc1ccn([C@H](C)c2ccccc2)n1)c1cccc(C#N)c1 611475561 CGBKUFQPEGJCII-HZPDHXFCSA-N 316.408 4.537 30 20 DJED C=CCN(Cc1coc(-c2ccccc2)n1)Cc1ccccc1F 615353588 FWJKQRKSWPXMJL-UHFFFAOYSA-N 322.383 4.669 30 20 DJED C=C(C)COc1cccc(NC(=O)N[C@H](C)c2ccsc2)c1 669952883 IKIMFOKAOHEJQA-CYBMUJFWSA-N 316.426 4.586 30 20 DJED O=C(/C=C\c1cc(F)c(F)c(F)c1)c1ccc(F)c(Cl)c1 727975415 TVEKYODTZYKNGR-RJRFIUFISA-N 314.665 4.793 30 20 DJED CCCCCCCC(=O)OCc1ncc(-c2cccs2)o1 731513466 WCBNZDSUAFIYDA-UHFFFAOYSA-N 307.415 4.807 30 20 DJED CCn1cc(/C=C\C(=O)c2ccc(-c3cccs3)cc2)cn1 732530718 PZOIZUKDZULBQQ-YHYXMXQVSA-N 308.406 4.528 30 20 DJED O=C(/C=C/c1cc(C(F)(F)F)ccc1F)c1ccsc1 733206209 CXSNJRAKEHMGKF-DAFODLJHSA-N 300.276 4.802 30 20 DJED O=C(/C=C/c1cccc(OC(F)(F)F)c1)c1ccccc1F 757465086 KLZTTXMQYFQUBF-CMDGGOBGSA-N 310.246 4.620 30 20 DJED O=C(/C=C\c1nc(Cl)cs1)c1ccc2ccccc2c1O 759085763 XWMYHDKWNMSIIR-FPLPWBNLSA-N 315.781 4.551 30 20 DJED COc1cc(C)ccc1C(=O)/C=C/c1cnc(C2CCC2)s1 760261568 DRLOKGNXFBMSRX-VQHVLOKHSA-N 313.422 4.624 30 20 DJED C#CCCc1noc(-c2ccc(SCc3ccccc3)cc2)n1 762006200 GNXZWCOEVJYSCQ-UHFFFAOYSA-N 320.417 4.595 30 20 DJED C=CC[C@H](N[C@@H](C)c1cc2c(s1)CCCC2)c1ccncc1 766020396 OZRYVWQZWLKGSP-YOEHRIQHSA-N 312.482 4.990 30 20 DJED FC(F)(F)C1CCC(C=NNCc2cccc(Cl)c2)CC1 767386104 ROCFXIFBEZANPZ-UHFFFAOYSA-N 318.770 4.784 30 20 DJED Cc1cnc(CNc2cccc(C#Cc3cccs3)c2)s1 771669324 JKYGFZYUMUADJX-UHFFFAOYSA-N 310.447 4.525 30 20 DJED C[C@@H](Nc1cccc(OC(F)(F)F)c1)c1ccc(C#N)c(F)c1 776810338 NBVGHXIKYXKEKP-SNVBAGLBSA-N 324.277 4.769 30 20 DJED C[C@@H](C#N)Oc1ccccc1NCc1ccc(C(C)(C)C)cc1 779741419 CCVOMNUXXZJYGF-HNNXBMFYSA-N 308.425 4.887 30 20 DJED Cc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)cc1OC(C)C 785536674 BPZSULUTHMOSJS-INIZCTEOSA-N 324.424 4.685 30 20 DJED N#Cc1c(Cl)nsc1N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 795207674 URDPJRWJRSIARC-PWSUYJOCSA-N 321.808 4.555 30 20 DJED CC(C)(C#N)CCCCOC(=O)CC1CC(c2ccccc2)C1 798733935 AJZFPPLKCZSLRM-UHFFFAOYSA-N 313.441 4.834 30 20 DJED CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1cnoc1C 799463582 CQOBOMCLADETTM-UHFFFAOYSA-N 318.591 4.779 30 20 DJED C=CCCCCCCNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 805220280 KIYNSJVJUHCLDH-FDCMFXBMSA-N 307.453 4.548 30 20 DJED CCCCCCCCCn1cc([N+](=O)[O-])c(=O)c2ccccc21 813578756 DZTSAYBLKVCUII-UHFFFAOYSA-N 316.401 4.660 30 20 DJED CCCC[C@](C)(F)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 850829425 KCHJCKPCABTLMJ-BZNIZROVSA-N 322.380 4.530 30 20 DJED CCC[C@H](C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915179279 BUVRMBCDUWWDMF-HNAYVOBHSA-N 306.409 4.717 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc(OC(F)F)cc2)c(C)c1 916155823 DQLGUTKPWNGZIS-POHAHGRESA-N 302.320 4.801 30 20 DJED C[C@@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1CC1 920434973 GVWFDVKIRQGRFM-YWZLYKJASA-N 318.420 4.717 30 20 DJED COc1cc(C#N)ccc1CN[C@@H](CC(C)(C)C)c1ccccc1 1168578292 AGNRJWAYXGWQPG-IBGZPJMESA-N 322.452 4.834 30 20 DJED N#Cc1cc(CSCc2cccc(OC(F)F)c2)ccc1F 1188848386 DMNBKBZEHFAGMA-UHFFFAOYSA-N 323.339 4.732 30 20 DJED COc1ccc(OC)c(CSc2ccc(C#N)cc2Cl)c1 1188970877 KQTSXSJPGBKNEL-UHFFFAOYSA-N 319.813 4.521 30 20 DJED CCc1ccc(C(=O)[C@H](C)Sc2cccc(F)c2C#N)cc1 1189433055 NSBYOBKTQLGQEV-LBPRGKRZSA-N 313.397 4.623 30 20 DJED CCC1(CC)CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 1197131837 HJHAFJTXVKGIRX-UHFFFAOYSA-N 319.836 4.646 30 20 DJED CC1(C)CCCC[C@H]1CC(=O)Nc1ccc(Cl)c(C#N)c1 1351349715 ZPNFMDWBTYDQAN-ZDUSSCGKSA-N 304.821 4.757 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)Nc1ccc(C#N)c(F)c1 1436590182 WQQJSQHBUIERNQ-CQSZACIVSA-N 302.393 4.632 30 20 DJED CC(C)CC1(NCc2ccc(-c3ccccc3C#N)cc2)CC1 1460487130 JFCUEEXKXSLUGQ-UHFFFAOYSA-N 304.437 4.894 30 20 DJED Cc1c(CN(CCC#N)C(C)C)sc2c(Cl)cccc12 1461895755 MCNWTRZXDLLNJQ-UHFFFAOYSA-N 306.862 4.987 30 20 DJED Cc1cc(C#N)cc(N[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)c1 1474578243 QQNPPSJNIGSNQS-RBUKOAKNSA-N 306.409 4.525 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)CC(C1CCC1)C1CCC1 1526210372 WMVDUWOEGRJCLZ-OAHLLOKOSA-N 324.468 4.684 30 20 DJED CC(C)Cc1ccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 1526286552 MHOFGZZEKDNHEG-UHFFFAOYSA-N 323.440 4.566 30 20 DJED CCOc1ccc(C#N)cc1NC(=O)c1cccc(C(C)(C)C)c1 1526631960 HPJOSQGPZJGWRU-UHFFFAOYSA-N 322.408 4.507 30 20 DJED N#C[C@H]1CCC[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C1 1528081089 LRSQQCHJFHSWHF-KXBFYZLASA-N 305.377 4.593 30 20 DJED Cc1cc(NCC2CCC(c3ccccc3)CC2)ncc1C#N 1611958369 CYFATMNFEGRCSP-UHFFFAOYSA-N 305.425 4.648 30 20 DJED CCCN(CCC(C)(C)C#N)[C@@H]1C[C@@H](OCC)C12CCCCC2 1615712915 FOAQYCMNUSCLNF-QZTJIDSGSA-N 320.521 4.766 30 20 DJED C[C@H](CNc1c(Br)cccc1C#N)c1ccccc1 1639757244 GUTYZDLGAOQHPF-GFCCVEGCSA-N 315.214 4.536 30 20 DJED N#Cc1c(F)cccc1N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 1650706096 HBMOQFNTFYOHSX-BDJLRTHQSA-N 320.289 4.684 30 20 DJED Cc1ccc([C@@H]2CCC[C@H]2N(C)CCc2ccc(C#N)cc2)cc1 1652576050 YSIIHDHQCLCTMZ-FCHUYYIVSA-N 318.464 4.677 30 20 DJED N#Cc1ccc(CCN2CC=C(c3ccccc3Cl)CC2)cc1 1652934487 OPXGTXXOWWXLSA-UHFFFAOYSA-N 322.839 4.543 30 20 DJED CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC[C@H](C)CCC#N 1659869227 SPNTXHGRYKTOHI-QAPCUYQASA-N 306.881 4.827 30 20 DJED CC(C)Oc1ccc(NCc2cccc(OCCCC#N)c2)cc1 80192354 BOLOIDFOOICPPM-UHFFFAOYSA-N 324.424 4.768 30 20 DJED COc1ccc([C@H](C)N[C@H](CCC#N)c2ccccc2)c(F)c1 90665881 MPLCLFJLLNLKDG-IFXJQAMLSA-N 312.388 4.530 30 20 DJED Cc1cccc(C(=O)/C=C/c2csc(-c3ccccn3)n2)c1C 114992165 FTIRIWYGBNMTMO-MDZDMXLPSA-N 320.417 4.718 30 20 DJED N#Cc1cccnc1Nc1ccc2cc(Br)ccc2c1 124457837 CFZQPRMMHFNQFH-UHFFFAOYSA-N 324.181 4.613 30 20 DJED CC[C@H](SCC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 156442622 KCRKSRQBCXDZEE-SFHVURJKSA-N 324.449 4.576 30 20 DJED CC[C@H](NCc1ccc(C#N)cc1F)c1ccc(Cl)s1 177861101 ZAGOGYDIZPZSCZ-ZDUSSCGKSA-N 308.809 4.653 30 20 DJED COc1cc(C(C)=O)ccc1S[C@@H](C)c1cccc(C#N)c1 189865062 VIPRKSWPULIZTQ-ZDUSSCGKSA-N 311.406 4.623 30 20 DJED CC(C)Oc1ccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 192971290 QNTGDDRQHVUJRO-CVEARBPZSA-N 308.425 4.757 30 20 DJED CC(C)c1ccc(/C=C\C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 205665340 VTZNXVADOUWUQT-WMZJFQQLSA-N 313.328 4.753 30 20 DJED Cc1ccc(Nc2ccc(C#N)c(Br)c2)cc1C 228176577 GJWSHQYJAXBTAW-UHFFFAOYSA-N 301.187 4.681 30 20 DJED C[C@H]1CCC[C@H]1CC(=O)Nc1ccccc1S[C@H](C)CC#N 249020096 QLHWTGJUJVJBIP-ZNMIVQPWSA-N 316.470 4.846 30 20 DJED O=C(/C=C\c1ccc(Cl)c(C(F)(F)F)c1)c1cccnc1 255105546 OFTXOVSIJKKGMY-XQRVVYSFSA-N 311.690 4.650 30 20 DJED CC[C@@H](N[C@@H]1CCCOc2ccccc21)c1ccc(C#N)cc1 278902169 ZJQWJAQKMSVTEG-RTBURBONSA-N 306.409 4.513 30 20 DJED N#CCCN(CC1CC1)C(=O)Nc1cccc(-c2ccccc2)c1 287655173 KJXPRRACHINWCD-UHFFFAOYSA-N 319.408 4.511 30 20 DJED COc1cccc([C@H]2CCCN2c2ccc(C#N)c(Cl)c2)c1 301507122 HFVOKCXRTZAFIY-GOSISDBHSA-N 312.800 4.562 30 20 DJED CCCOCc1ccccc1CNc1ccc(Cl)cc1C#N 303174954 HGOBUPHUJLUFEH-UHFFFAOYSA-N 314.816 4.750 30 20 DJED C[C@H](CNCc1cc(F)cc(C(F)(F)F)c1)CC(F)(F)F 396878789 GNYLMXWKEYAZKU-QMMMGPOBSA-N 317.248 4.523 30 20 DJED C[C@H](SCCCOc1cccc(C#N)c1)c1cccc(C#N)c1 443127279 AYKASRPZWMUSJX-HNNXBMFYSA-N 322.433 4.693 30 20 DJED C[C@H](CNC1CCC(C)(C#N)CC1)c1ccc(C(F)(F)F)cc1 449272384 VXJWSNWBSCEMCO-NVPAJSRCSA-N 324.390 4.871 30 20 DJED CCc1cc(C#N)c(NC(=O)c2ccc(C(C)(F)F)cc2)s1 460021935 QCGIINHBTMAYNL-UHFFFAOYSA-N 320.364 4.546 30 20 DJED N#C[C@@H]1CCC[C@@H](N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 463281387 HGLQYOBAUFWCTM-NIKGAXFTSA-N 300.421 4.729 30 20 DJED C=C(C)[C@@H](Nc1nccc2occc12)c1ccc(F)c(F)c1 475723861 ZLSRUDKGMKYZBJ-MRXNPFEDSA-N 300.308 4.835 30 20 DJED CCN(CCO[C@@H]1CCCC[C@H]1C)[C@@H](C)c1ccc(C#N)cc1 497621104 SDEHIFHHPUJGAQ-FUHIMQAGSA-N 314.473 4.536 30 20 DJED C=CCCNc1ccc(Cl)cc1C(=O)N1[C@H](C)CCC[C@H]1C 524843849 IMGFPBRAGDQHDW-ZIAGYGMSSA-N 320.864 4.731 30 20 DJED Cc1cccc([C@H](NC(=O)c2ccc(CC#N)cc2)C(C)(C)C)c1 536174399 XRMJADNERYHBII-IBGZPJMESA-N 320.436 4.578 30 20 DJED C=CCCC[C@@H](C)NC(=O)Nc1ccc2nc(C3CC3)oc2c1 537250878 CSQVQDUAJCLAMH-GFCCVEGCSA-N 313.401 4.572 30 20 DJED CC[C@@H](CC#N)NC(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F 547274128 KSNOPIWKTUAKPJ-KRWDZBQOSA-N 324.399 4.532 30 20 DJED Cc1cc2cc(C(=O)N[C@@](C)(C#N)C3CCCCC3)oc2cc1C 550351011 SVWCQPSCWWFZSV-FQEVSTJZSA-N 324.424 4.642 30 20 DJED CCN(C(=O)CCCCCC#N)[C@@H](C)c1cc2ccccc2o1 588306182 NHLNQKMOYLBZEE-HNNXBMFYSA-N 312.413 4.816 30 20 DJED Cc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(CC#N)cc2)c(C)c1 604082940 FPMKJQOVXVJKCQ-MRXNPFEDSA-N 321.424 4.594 30 20 DJED C=C(CNCc1cnc(-c2ccc(C)cc2)s1)c1ccccc1 604415532 ZNWZJQGNQBAAAW-UHFFFAOYSA-N 320.461 4.922 30 20 DJED C=CC[C@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 664334343 YEDFPFRACHYFOB-LBPRGKRZSA-N 312.335 4.525 30 20 DJED CC(C)c1ccc(C(=O)/C=C\c2ccc(O[C@@H](C)C#N)cc2)cc1 728699700 IPLSPCKQCPUXLC-DZNGUJDPSA-N 319.404 4.997 30 20 DJED COc1cccc(/C=N\[C@@H](C)c2csc3ccccc23)c1O 729936141 IOLITZGQZFIIBH-ZTPSMGMTSA-N 311.406 4.796 30 20 DJED N#Cc1ccc(-c2ccn(Cc3ccc4ccccc4c3)n2)cc1 739900057 YWJBUCADECUJFD-UHFFFAOYSA-N 309.372 4.623 30 20 DJED CCOc1cccc(C=Nc2cccc(CC(F)(F)F)c2)c1O 743044881 SUKBMORFPXUDKA-UHFFFAOYSA-N 323.314 4.646 30 20 DJED CSc1ccc2c(c1)CC/C(=C\c1ccc(Cl)nc1)C2=O 748998138 NULRQJPRASCNLI-MDWZMJQESA-N 315.825 4.669 30 20 DJED CCCCCCCC(=O)N[C@@H](C)c1nc(C2CCCCC2)no1 752004208 ZPYWSUNZIKUXPC-AWEZNQCLSA-N 321.465 4.655 30 20 DJED Cc1ccsc1C(=O)/C=C/c1nc2ccc(F)cc2s1 761475088 CFNVOASRVDSEND-SNAWJCMRSA-N 303.383 4.701 30 20 DJED N#Cc1c(F)ccc(/C=C2/CCc3ccccc3C2=O)c1Cl 761475196 NLYMCRVBGAWDJI-LCYFTJDESA-N 311.743 4.563 30 20 DJED Cc1ccc2c(c1)C/C(=C/c1cccc(-c3cccnc3)c1)C2=O 768489381 CTMYFWXOQJMHCY-NDENLUEZSA-N 311.384 4.879 30 20 DJED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2=CCCCC2)cc1 782279763 FNHZPIREZGBWKM-HXUWFJFHSA-N 316.404 4.781 30 20 DJED C=C[C@@](C)(CC)C(=O)OCc1ncc(-c2cccc(Cl)c2)o1 785760952 ZYLUSJIQGSGZGZ-KRWDZBQOSA-N 319.788 4.641 30 20 DJED CCCCCCCC(=O)Nc1cc(-c2ccnn2C)ccc1C 798558690 LRRWGEZGDPTKCU-UHFFFAOYSA-N 313.445 4.695 30 20 DJED C#Cc1cccc(NC(=S)Nc2cc(C)c(Cl)c(C)c2)c1 799516111 ZSVZLONWJVOJOI-UHFFFAOYSA-N 314.841 4.747 30 20 DJED C=CCCCCCCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 813257133 QLUYNFAHNGDHRM-UHFFFAOYSA-N 324.808 4.505 30 20 DJED CC[C@@H](NCC(C)(C)CC#N)c1cc(Cl)cc(Cl)c1O 840787716 OLJLTWRTYUXHQP-CYBMUJFWSA-N 315.244 4.680 30 20 DJED N#C[C@@H](C(=O)CC/C=C/c1ccccc1)c1nc(C2CC2)cs1 842943887 ZRDKYUKEKPWVPR-YCOJEUHLSA-N 322.433 4.690 30 20 DJED C=CCCCC[C@@H](C)N[C@H](C(=O)O)c1ccc2ccccc2c1 901516728 QWPWOKGEZFZDSU-BEFAXECRSA-N 311.425 4.690 30 20 DJED CCCCC(=NNc1nncc2ccccc12)c1ccccc1 916592563 OKFCDXQMLUOOBF-UHFFFAOYSA-N 304.397 4.636 30 20 DJED CCCCCCC[C@@H](C)CNC(=O)N(C)Cc1cccc(O)c1 918134671 BPJRLAZCALKUOR-MRXNPFEDSA-N 320.477 4.530 30 20 DJED CCc1ccc(N(CC(C)(C)C)C(=O)c2ccc(C#N)cc2)cc1 1129097268 VCUYCNDWTUNAAH-UHFFFAOYSA-N 320.436 4.814 30 20 DJED N#Cc1ccc(CN[C@H]2CCC[C@H](c3ccccc3)C2)c(F)c1 1308743066 YVKJMDOMSCJHGU-HKUYNNGSSA-N 308.400 4.513 30 20 DJED N#Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)cc1Cl 1352434529 JIQGHNBTXHKHPC-IAGOWNOFSA-N 324.811 4.734 30 20 DJED C[C@H](OC(=O)c1ccc(-c2ccccc2)o1)c1cccc(C#N)c1 1435509011 UTXDJIIWIXQUOS-AWEZNQCLSA-N 317.344 4.736 30 20 DJED CC(C)(C)[C@H](NCCc1ccc(C#N)cc1)c1cccc(F)c1 1459817555 LUZZTAISVMRTEE-LJQANCHMSA-N 310.416 4.617 30 20 DJED CC[C@@H](Sc1ccc(C#N)c(C)c1)C(=O)Nc1ccc(C)cc1 1473048895 FUDTYDZRNRNIKB-GOSISDBHSA-N 324.449 4.685 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)N(CCC#N)CC(C)(C)C 1520955181 PKZUYORNALKYED-KRWDZBQOSA-N 306.494 4.771 30 20 DJED Cc1nc(N2CCC[C@H]2/C=C/c2ccccc2)c(Cl)cc1C#N 1559292205 IBENBIBUFOKAMB-FVNWOWOISA-N 323.827 4.597 30 20 DJED CN(Cc1cccc(Cl)c1Cl)[C@@H](C#N)c1ccccc1 1559630190 IRGKJTLDYIELCA-HNNXBMFYSA-N 305.208 4.690 30 20 DJED CCCC1CCC(CNCc2ccc(C#N)c(Cl)c2)CC1 1560451822 CYZOQMWUHPALPX-UHFFFAOYSA-N 304.865 4.908 30 20 DJED N#Cc1ccc(C2CCN([C@H]3CCCc4ccccc43)CC2)cc1 1620623353 UBIVARSWZBKLNK-QFIPXVFZSA-N 316.448 4.815 30 20 DJED N#CCC1(CN[C@@H](Cc2ccccc2Cl)c2ccccc2)CC1 1642553231 PSBJOCRYKJPEOI-IBGZPJMESA-N 324.855 4.907 30 20 DJED CCC[C@@]1(C)CCCN(c2ccc(C#N)c(Br)c2)C1 1650796020 MBYRJSSWOMGKIV-INIZCTEOSA-N 321.262 4.727 30 20 DJED CC(C)c1ccc2ncnc(Sc3cccc(F)c3C#N)c2c1 1651186876 GPDAYBYCIQZSKW-UHFFFAOYSA-N 323.396 4.915 30 20 DJED CC(C)[C@H]1CCc2ccccc2N1Cc1cccc(C#N)c1F 1653173540 LKNCAZWYJOGPFJ-GOSISDBHSA-N 308.400 4.675 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@]1(C)Cc1ccc(F)cc1 1654778754 HTCPBLLMOQHQGP-OAQYLSRUSA-N 322.427 4.603 30 20 DJED N#Cc1nc(NCC2(c3ccccc3)CCCC2)sc1Cl 1654934379 IOPIHJKLANIFHY-UHFFFAOYSA-N 317.845 4.592 30 20 DJED Cc1c(C#N)cccc1NCc1cc(F)cc(C(F)(F)F)c1 1657458255 DRZKPZJTWOHYGY-UHFFFAOYSA-N 308.278 4.637 30 20 DJED COc1ccc(C#N)cc1CN(c1cc(C)ccc1C)C(C)C 1657703340 VJFCOQJMDCAHFG-UHFFFAOYSA-N 308.425 4.599 30 20 DJED CC(C)CC[C@@H](NC(=O)Nc1cccc(CC#N)c1)C(C)(C)C 1670084656 PPWDPJHSNLDROT-QGZVFWFLSA-N 315.461 4.725 30 20 DJED N#Cc1cc(NCc2ccc(Br)cc2)ccc1Cl 35224457 SENFJVVVYZGVLQ-UHFFFAOYSA-N 321.605 4.586 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1ccc(C)cc1Cl 43188297 BWQYERCEQSZSTA-UHFFFAOYSA-N 320.845 4.930 30 20 DJED CC(C)N(CCC#N)Cc1ccc(-c2ccc(F)cc2)s1 64801712 YCXMRTFNHYULII-UHFFFAOYSA-N 302.418 4.678 30 20 DJED CC(C)(C)OCc1ccc(NCc2cc(C#N)cs2)cc1 84052468 RDCDJSBFLYSWPA-UHFFFAOYSA-N 300.427 4.547 30 20 DJED C[C@@H](C#N)CSc1ccccc1NCc1ccc(F)cc1F 84919144 HJSDYOKUVNYUME-LBPRGKRZSA-N 318.392 4.829 30 20 DJED CCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(C)C 109027907 CNWWBSFQGSUXMY-UHFFFAOYSA-N 323.396 4.613 30 20 DJED C[C@@H](N[C@H](C)c1cccc(N2CCCC2)c1)c1ccc(C#N)cc1 126528697 SMSYSSDVHPSQOV-IAGOWNOFSA-N 319.452 4.570 30 20 DJED O=C(/C=C/c1coc(-c2ccccc2)n1)c1coc2ccccc12 159026028 NLWTUCQMICKLTG-ZHACJKMWSA-N 315.328 4.984 30 20 DJED C[C@H](CCC(=O)[C@@H](C#N)c1nc2ccccc2o1)c1ccccc1 178958254 PUTIDXSJYFRQOP-GDBMZVCRSA-N 318.376 4.588 30 20 DJED CCCCCCCCC(=O)N1C[C@H](C)C[C@H]1c1cccnc1 182163572 SDJNHOPIYYWLMR-AEFFLSMTSA-N 302.462 4.742 30 20 DJED C=CCC1(C(=O)Nc2cccc(Oc3ccncc3)c2)CCC1 191630262 GIXBEWUQRJGLIR-UHFFFAOYSA-N 308.381 4.559 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)c(F)c1 213670594 QNXQQPCJJMESGJ-NEPJUHHUSA-N 302.780 4.763 30 20 DJED C[C@@H](N[C@H](C)c1ccccc1OC(F)F)c1cccc(C#N)c1 269002509 VFOGIPGSLUMNBJ-CHWSQXEVSA-N 316.351 4.571 30 20 DJED C#CC[C@@H](N[C@@H]1CCSc2ccc(OC)cc21)c1ccccc1 276082145 BLCQKHSQGIUZDX-RTBURBONSA-N 323.461 4.586 30 20 DJED C[C@H](Nc1c(C#N)cnc2ccc(Cl)cc12)c1cccc(O)c1 302909895 YUIRRRNCNPNDHA-NSHDSACASA-N 323.783 4.639 30 20 DJED CC(C)[C@H](/N=C(/O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ncc[nH]1 328719149 GEGBTRZVFARUCJ-JONQDZQNSA-N 303.450 4.670 30 20 DJED CC1(C)CCc2ccccc2[C@H]1/N=C(/O)c1ncoc1C1CC1 328893467 AFJOICWBPJGFHB-QGZVFWFLSA-N 310.397 4.570 30 20 DJED N#Cc1ccc(CC/C(O)=N/[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 329031943 PXYGWQATMVYDJQ-GBESFXJTSA-N 310.441 4.806 30 20 DJED Cc1nc(C2CC2)oc1/C(O)=N/[C@@H]1CCC[C@@H](C(C)C)CC1 329934854 CEKCEEDLOOBGQK-UKRRQHHQSA-N 304.434 4.770 30 20 DJED C[C@H]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)c2ccccc21 354694652 YOJZNKIONLPMRL-FUHWJXTLSA-N 318.420 4.614 30 20 DJED CC[C@H](c1ccccc1)[S@](=O)CCC1(C#N)CCCCC1 414258296 XQUQZXPYCOSCJD-DYESRHJHSA-N 303.471 4.751 30 20 DJED COc1ccc(Cl)cc1CN(C)CCCCC(C)(C)C#N 444595580 NYFVKRGWMXLLJE-UHFFFAOYSA-N 308.853 4.500 30 20 DJED C[C@@H](NC(=O)Nc1cccc(C2CCC2)c1)c1ccc(C#N)cc1 463821169 GZBLWJDBDRSZAV-CQSZACIVSA-N 319.408 4.708 30 20 DJED C=C[C@](C)(CC)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 467737754 NPZMJIRHASWTDJ-OAHLLOKOSA-N 300.229 4.554 30 20 DJED CC(C)[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(C(F)(F)F)cc1 471582156 SZEQHXZEXGEODL-WQVCFCJDSA-N 310.363 4.684 30 20 DJED C=CCC[C@H](C(=O)N[C@H]1CCC[C@@H]1SCC)c1ccccc1 475964917 LOOURLPLVHNNLZ-BZSNNMDCSA-N 317.498 4.527 30 20 DJED CN(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CCC(C)(C)CC1 476256171 HNEIHLLSPWGKTQ-UHFFFAOYSA-N 312.457 4.529 30 20 DJED C=CCC(C)(C)CNC(=O)c1ccc(C(F)(F)F)cc1Cl 489861132 TYJRENMFTILZIV-UHFFFAOYSA-N 319.754 4.691 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC(=O)C[C@H]1CCC[C@H](C)C1 504056509 KCUFNBBLYBLPOO-GJZGRUSLSA-N 314.429 4.500 30 20 DJED C=CCN(Cc1ccc(Cl)s1)Cc1ccc(C#N)s1 506085099 IOMRZCXEHSKMRH-UHFFFAOYSA-N 308.859 4.523 30 20 DJED C[C@H](C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(C)(C)C 522334595 ICYUJYKXDHJUMP-CQSZACIVSA-N 322.408 4.971 30 20 DJED CCCN(Cc1ccc(CC#N)cc1)[C@@H](C)c1ccccc1OC 541271580 ITUUAVRAVQMRKP-KRWDZBQOSA-N 322.452 4.734 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)cc1F)c1cccc(C2CC2)c1 556173077 JYOQBFBAINYCSV-UONOGXRCSA-N 308.400 4.987 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)c2cccc(C3CC3)c2)n1 580902383 JFFOTGGIQUBWKL-OAHLLOKOSA-N 310.422 4.634 30 20 DJED CC[C@H](C)Oc1cc(CNc2cccc(CC#N)c2)ccc1OC 590662313 RLWZONZNVISOSS-HNNXBMFYSA-N 324.424 4.551 30 20 DJED N#Cc1ccc(NCc2cccc(Br)c2Cl)cc1 600850047 PKPLMRVYCXMMDU-UHFFFAOYSA-N 321.605 4.586 30 20 DJED CC[C@H](C)C(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 603532770 RPWOVCKTGIKMKI-AWEZNQCLSA-N 324.399 4.585 30 20 DJED C=C(C)CN(CC)C(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C 612299777 WOIVNNFPCSDFOS-MRXNPFEDSA-N 308.853 4.645 30 20 DJED C=CCOC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1 730073447 FDMZEYRBSNFNKN-MRXNPFEDSA-N 320.360 4.527 30 20 DJED N#Cc1cccc(/C=C\C(=O)c2nc(-c3ccccc3)cs2)c1 730085576 QQDXTDVPUGYNBS-KTKRTIGZSA-N 316.385 4.578 30 20 DJED N#C[C@@H](NC(=O)C=C1CCCCC1)c1cccc(Cl)c1Cl 731196382 YVTBJAIJSFCJGW-CQSZACIVSA-N 323.223 4.565 30 20 DJED CC(C)c1ccc(C(C)(C)NCc2ccc(OCC#N)cc2)cc1 731214731 XUVIPICLHUYCOS-UHFFFAOYSA-N 322.452 4.737 30 20 DJED Cc1cc(F)ccc1-c1ccc(/C=C/C(=O)c2cccnc2)o1 734303701 XDXKTKAZYUHQQZ-VMPITWQZSA-N 307.324 4.685 30 20 DJED CCC1(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)CCC1 751827982 ZBWVEOLAKDSZGG-HNNXBMFYSA-N 324.449 4.875 30 20 DJED C#CCCCCCC(=O)Nc1cccc(N2CCCCCC2)c1 779917988 ODPIRTJDLDLJIW-UHFFFAOYSA-N 312.457 4.589 30 20 DJED CC(C)c1c(Cl)ncnc1NN=C1CCC[C@@H](C2CC2)C1 797404019 FDTIVOJVAUFEKJ-GFCCVEGCSA-N 306.841 4.622 30 20 DJED CC(/C=C/C(=O)c1cccc(CN(C)C)c1)=C\c1ccccc1 821022993 WYZXGILQZMOHNF-MIFVOYFBSA-N 305.421 4.591 30 20 DJED CCCCCCCC(=O)N(C)Cc1nc2ccccc2s1 826564636 QCSVGKPMZXAZJP-UHFFFAOYSA-N 304.459 4.615 30 20 DJED CC(C)=CCC[C@@H](C)CC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842943078 PGGCYXULAMFYJS-HIFRSBDPSA-N 316.470 4.969 30 20 DJED C=CC[C@H](NCc1cc2cccc(CC)c2o1)c1ccncc1 850137212 KSZPCFALCCAZLI-IBGZPJMESA-N 306.409 4.797 30 20 DJED CC(C)c1ccc(C[S@@](=O)CCCCC2(C#N)CCC2)cc1 899277287 GDWUHKHNQJUKHM-QFIPXVFZSA-N 317.498 4.923 30 20 DJED C=C[C@@](C)(CC)c1nc(-c2ccc(N3CCCCC3)cc2)no1 904613690 FIIJTCUDVADSBT-IBGZPJMESA-N 311.429 4.581 30 20 DJED CC(=O)Nc1ccc(N=Cc2c(O)ccc3ccccc23)cc1C 912787402 OSEXSZVLVMRPRM-UHFFFAOYSA-N 318.376 4.563 30 20 DJED C=C(Cl)CSCc1coc(-c2cccc(Cl)c2)n1 917952998 LTIPGHOBWQNWLS-UHFFFAOYSA-N 300.210 4.981 30 20 DJED C=CCCO[C@@H](C)C(=O)Nc1ccc(-c2ccccc2)cc1C 921147095 FJTHQWHBCWHIMX-INIZCTEOSA-N 309.409 4.582 30 20 DJED CCc1ccc([C@H](C)CC(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1 1126712747 KNJCKTNUFWUKFF-CVEARBPZSA-N 321.420 4.919 30 20 DJED Cc1ccccc1C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 1307670120 ORINLFSIPINUEN-KRWDZBQOSA-N 304.437 4.807 30 20 DJED CC(C)c1ocnc1CSCc1ccc(Cl)cc1C#N 1321366091 FWLIKEBZVDQLRX-UHFFFAOYSA-N 306.818 4.756 30 20 DJED CC(C)[C@H]1C[C@@H](Nc2ccc(OCC#N)cc2)c2ccccc21 1343910861 BSEQWBRCVFWSPQ-WOJBJXKFSA-N 306.409 4.885 30 20 DJED CC[C@H](CC(=O)Nc1cc(C#N)ccc1C)c1ccc(C)cc1 1355073608 FDKFNYXEMRYKLV-QGZVFWFLSA-N 306.409 4.698 30 20 DJED Cc1c(Cl)cnc(N[C@@H]2CC(C)(C)c3ccccc32)c1C#N 1458256643 ZBARBWYZDKFRCP-MRXNPFEDSA-N 311.816 4.750 30 20 DJED Cc1csc(NC(=O)N(C)C[C@@H](C)C2CCCCC2)c1C#N 1466472417 KZCRYZKEQITDJG-GFCCVEGCSA-N 319.474 4.608 30 20 DJED CC(C)Cc1ccc(CN2CCCc3cc(C#N)ccc32)cc1 1473507612 FKZOINDNJVFKKQ-UHFFFAOYSA-N 304.437 4.710 30 20 DJED Cc1ccc([C@@H]2C[C@H]2C(=O)O[C@@H](C)c2cccc(C#N)c2)cc1C 1534850218 VNMYBPUAWUNGAX-RYGJVYDSSA-N 319.404 4.583 30 20 DJED C[C@@H](CCC#N)CN1CCc2cc(Cl)c(Cl)cc2[C@@H]1C 1560815100 QMQNAPZBQRDABW-RYUDHWBXSA-N 311.256 4.852 30 20 DJED CCC(CC)CN(CCC#N)C(=O)[C@@H](CC)CC1CCCC1 1616413360 BZZRLIGPXRVPAG-SFHVURJKSA-N 306.494 4.771 30 20 DJED Cc1ccccc1[C@H](Nc1ccc(C#N)nn1)C1CCC(C)CC1 1640111778 CLBQFHBFPLSSHF-QJXPYNDKSA-N 320.440 4.636 30 20 DJED C=C(Br)CN[C@H](c1ccc(Cl)cc1)C1CCC1 1645096888 FLIHVSJNIVXHCX-AWEZNQCLSA-N 314.654 4.679 30 20 DJED Cc1cc(C#N)cc(NCc2cnc(-c3cccs3)s2)c1 1656435486 HWXAWDAKKIUECX-UHFFFAOYSA-N 311.435 4.664 30 20 DJED N#CC1(CCN[C@@H]2CCC[C@H]2Cc2ccccc2)CCCCC1 1658292406 MQQOHOHPIOANHM-VQTJNVASSA-N 310.485 4.852 30 20 DJED O=C(O)c1cccc(-c2ccc(C=NNc3ccccc3)s2)c1 1776032739 OMQLPUJVACEGOD-UHFFFAOYSA-N 322.389 4.559 30 20 DJED Cc1c(NN=C2CC[C@@H](Cc3ccccc3)C2)cccc1C(=O)O 1776088395 JFIVWJDVXRMFCN-INIZCTEOSA-N 322.408 4.504 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1cc(Cl)cs1 1776782967 PPIUJENAZBSLEK-ZDUSSCGKSA-N 317.882 4.695 30 20 DJED CCCCCCC[C@H](CC(=O)O)NC[C@H]1C(C)=CCC[C@H]1C 1776783314 OTCNMFRFJKMODX-KURKYZTESA-N 309.494 4.772 30 20 DJED C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1O 60217483 GLFDKGDNOSUINE-CSKARUKUSA-N 322.404 4.642 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1oc2c(C)ccc(C)c2c1C 63962525 JUDWHAKEPBKAQQ-UHFFFAOYSA-N 318.376 4.790 30 20 DJED Cc1cc(C(C)(C)C)cc(C)c1C[S@@](=O)CCCCC#N 78702121 QBBFZEMGEYTFAP-OAQYLSRUSA-N 305.487 4.544 30 20 DJED N#CCC[C@@H](NCc1ccc(F)cc1Cl)c1ccccc1 130592462 NXKLWVFLRTXBMA-QGZVFWFLSA-N 302.780 4.614 30 20 DJED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)CCCC#N)s2)cc1 134204093 IQJUYIXYINKATH-OAHLLOKOSA-N 313.470 4.724 30 20 DJED Cc1cscc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 175116865 GMWCXXCCJJDRCD-CYBMUJFWSA-N 324.430 4.670 30 20 DJED CC(C)(C#N)CCC[S@](=O)Cc1cc(Cl)ccc1Cl 178107815 LNAKRUKJKUGOGU-IBGZPJMESA-N 318.269 4.572 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)c1ccccc1 182644092 LOXWXKLOVWKHLV-GJZGRUSLSA-N 324.449 4.823 30 20 DJED N#CCC[C@@H](NC(=O)Nc1ccsc1Cl)c1ccccc1 189414684 VMGMXWMRZHAOCZ-GFCCVEGCSA-N 319.817 4.568 30 20 DJED CC1(C)CCC[C@@H](Nc2ccc(C#N)c(Br)c2)C1 228192555 YORDVKYBQQOLCH-CYBMUJFWSA-N 307.235 4.701 30 20 DJED COc1ccc(C(=O)/C=C\c2cnn(C(C)C)c2)c2ccccc12 255304308 VXEQPGGBKHQDES-NTMALXAHSA-N 320.392 4.522 30 20 DJED N#CC1(CCCSCc2ccc3c(c2)CCC3)CCOCC1 281831265 KYQXGYLDOMTEEF-UHFFFAOYSA-N 315.482 4.509 30 20 DJED COc1ccc(-c2ccc(C)c(N=C(O)C3[C@@H]4CCC[C@@H]34)c2)cn1 328673571 JDCNQSFLHBYWPV-HZPDHXFCSA-N 322.408 4.700 30 20 DJED O/C(=N/C1CCC2(CCCCC2)CC1)c1ncoc1C1CC1 329036876 ZAQUQIVRWGVREU-UHFFFAOYSA-N 302.418 4.750 30 20 DJED C[C@@H](CCC(C)(C)C)C(=O)N[C@H](CCC#N)c1ccccc1 348031911 WOKULAPANWLKML-DOTOQJQBSA-N 300.446 4.610 30 20 DJED CC(C)c1cccc(NC(=O)[C@@H](C#N)CCc2ccccc2)c1 433122766 WSSHIDSYYGWTRK-GOSISDBHSA-N 306.409 4.521 30 20 DJED CC[C@@H](C)c1ccc(NC(=O)CSc2ccccc2C#N)cc1 439711520 UDGUZLDDXZDDSK-CQSZACIVSA-N 324.449 4.803 30 20 DJED C[C@@H](Nc1ccc(Oc2ccccn2)cc1)c1cccc(C#N)c1 442791581 JULJPRBHWQGKFC-OAHLLOKOSA-N 315.376 4.919 30 20 DJED C=CCC1(C(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)CCCC1 452132406 MGUBQQRUQFKZRC-OKILXGFUSA-N 317.395 4.702 30 20 DJED C=CCOc1ccc(OCc2cc(-c3cccs3)on2)cc1 462652980 DUFSGKPIEBUCSN-UHFFFAOYSA-N 313.378 4.547 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@@H]1[C@H](CC)c1ccccc1 467519253 CPBLPPDJLRJFAI-WOJBJXKFSA-N 311.469 4.940 30 20 DJED C=CCCC[C@@H](C)NC(=O)Nc1ccc(C(=O)C2CCC2)cc1 486993704 CWZSUPVFEURVQS-CQSZACIVSA-N 314.429 4.536 30 20 DJED CC[C@](C)(C#N)C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 505961241 VUZMCUPOBVCZNO-HXUWFJFHSA-N 318.376 4.978 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CC1(C)CCCCC1 509832146 BHRBUZVCKUUVLG-UHFFFAOYSA-N 312.457 4.656 30 20 DJED C=CC[C@H](C)NC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 517999089 DVDZETDTWPNKBK-ZDUSSCGKSA-N 321.380 4.581 30 20 DJED C=CCOc1ccccc1CNC(=O)Nc1ccc(C(C)C)cc1 522072207 AYFLBCYSOXQALW-UHFFFAOYSA-N 324.424 4.697 30 20 DJED C=C[C@@H](CC(=O)N1CC[C@H](c2ccc(F)cc2)C1)c1ccccc1 530312829 WBBBKMXKJGLFDA-LPHOPBHVSA-N 323.411 4.502 30 20 DJED C=CC[C@H](C)[C@@H](C)NCc1cccc(COCc2ccco2)c1 532193092 OLTDLXCRTXTXNY-DLBZAZTESA-N 313.441 4.687 30 20 DJED C=CC[C@H](C)N[C@H](C)c1sc(-c2ccccc2F)nc1C 537969681 LBDGXFFXUHVKTO-NWDGAFQWSA-N 304.434 4.873 30 20 DJED CCc1ccc(-c2ccc(C(=O)NCC(C)(C)CCC#N)o2)cc1 554097847 DYAFPSJYQWVBFC-UHFFFAOYSA-N 324.424 4.569 30 20 DJED C=CCC(C)(C)C(=O)Nc1ccc(-c2nc(C)cs2)cc1 555711978 FXDUMTZGNPUXAA-UHFFFAOYSA-N 300.427 4.659 30 20 DJED Cc1c(CN2CCC(CC#N)CC2)sc2c(Cl)cccc12 578798519 OQGQKBPLEGFUDR-UHFFFAOYSA-N 318.873 4.989 30 20 DJED C=CCC[C@H](NC(=O)N[C@@H](C)c1ccsc1)c1ccccc1 669875393 ZBORGZSJHFMQCC-YOEHRIQHSA-N 314.454 4.816 30 20 DJED C=C(CN[C@@H](C)c1sc(C(C)C)nc1C)c1ccccc1 675783742 SEPZCEIFUGABDL-AWEZNQCLSA-N 300.471 4.939 30 20 DJED COc1cc(/C=C\C(=O)c2sccc2C)cc(Cl)c1OC 733748693 HCTYBIVDJXXCFP-PLNGDYQASA-N 322.813 4.623 30 20 DJED CCCCCCCCCNC(=O)N1CCC[C@H]1c1ccc[nH]1 734263631 NLSSGUSRIJQEPL-KRWDZBQOSA-N 305.466 4.612 30 20 DJED C/C(=C\c1ccccc1)CN(C)Cc1ccc(O[C@@H](C)C#N)cc1 756120479 IXYOKFHKGDGDRJ-KJCUYJGMSA-N 320.436 4.513 30 20 DJED Clc1ccccc1[C@@H]1CCCC1=NNc1nccnc1Cl 758125424 XWIHHMDRXASVKX-NSHDSACASA-N 321.211 4.519 30 20 DJED O=C(/C=C\c1cccc(F)c1)c1cc(Br)ccc1F 763120900 BJGGEZLBTJGLJN-DAXSKMNVSA-N 323.136 4.623 30 20 DJED Clc1ccc(C=NNc2ccccc2)c(Br)c1 769794822 HXDJCQIYRJLVJU-UHFFFAOYSA-N 309.594 4.549 30 20 DJED C#CC[C@@H](NCc1csc(-c2ccc(C)o2)n1)c1ccccc1 775399759 UHIYKLNUXJLGLH-QGZVFWFLSA-N 322.433 4.566 30 20 DJED C#CCCCCCC(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 780741864 PJDGYRDNMUMPII-KRWDZBQOSA-N 315.432 4.506 30 20 DJED CC(=NNc1c(F)cccc1Cl)c1cnn(C(C)(C)C)c1C 787161961 HTHNFWRCIPACCY-UHFFFAOYSA-N 322.815 4.575 30 20 DJED CC[C@@H](C)CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 790291527 CGZFVNDUNVJQNO-BEFAXECRSA-N 306.409 4.717 30 20 DJED C#Cc1cccc(NCc2nc(-c3ccc(C)cc3)cs2)c1 795254480 VDYKOAMRBKLKBA-UHFFFAOYSA-N 304.418 4.712 30 20 DJED C=CC[C@H](CC)NC(=S)Nc1ccc(Cl)cc1Cl 798376136 RYXZHMRHICTVSD-JTQLQIEISA-N 303.258 4.635 30 20 DJED Cc1ccsc1C(Cc1ccccc1)=NOC/C=C\Cl 811667963 IACHVRWAAGLYRR-IQWAPFIMSA-N 305.830 4.772 30 20 DJED CC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 835144220 CICPTHKDXXCQOF-AAEUAGOBSA-N 318.417 4.684 30 20 DJED CCC[C@@H]1CCC[C@H]1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 835200407 JHKFUARUZLDAQF-MGPQQGTHSA-N 304.459 4.659 30 20 DJED FC(F)(F)c1cnc(NN=C[C@H]2CC=CCC2)c(Cl)c1 916286800 WGOCZYWENLTCKL-VIFPVBQESA-N 303.715 4.508 30 20 DJED CCC(CC)CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1124213882 MBMJOTBACGGACM-NSHDSACASA-N 304.459 4.509 30 20 DJED C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 1126052853 CGVAOAZLUAFJHS-GDBMZVCRSA-N 320.392 4.725 30 20 DJED CCc1ccc(C(C)(C)C(=O)O[C@H](C)c2ccc(C#N)cc2)cc1 1126637956 QGMQSNXKFYUIFZ-OAHLLOKOSA-N 321.420 4.703 30 20 DJED Cc1cccc(C2(C(=O)O[C@H](C)c3ccc(C#N)cc3)CCC2)c1 1126638132 SCWXZOJRZKTJLG-MRXNPFEDSA-N 319.404 4.593 30 20 DJED Cc1nc(N[C@H](c2ccccc2)C2CCCCC2)ccc1C#N 1162153519 XFWNTYXQXLBTKR-HXUWFJFHSA-N 305.425 4.995 30 20 DJED N#Cc1ccc2c(c1)N(Cc1ccc(-c3ccsc3)cc1)CC2 1168924876 IYJJGCOVCNJZCP-UHFFFAOYSA-N 316.429 4.849 30 20 DJED N#Cc1cc(Cl)ccc1NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 1279076910 FSCXERIZDOJANB-HZSPNIEDSA-N 316.832 4.757 30 20 DJED C[C@H](CCC#N)N1CCC(c2c(Cl)cccc2Cl)CC1 1307809589 AHSIPIGUVBXOTO-GFCCVEGCSA-N 311.256 4.865 30 20 DJED COc1c(Cl)cc(Cl)cc1CNc1cccc(C#N)c1C 1308421120 OSMITUMKGJSRKH-UHFFFAOYSA-N 321.207 4.794 30 20 DJED CC1(C)[C@@H](Nc2ccc(OCC#N)cc2)C[C@H]1c1ccccc1 1325557867 GUISYWKJTJGGMD-OALUTQOASA-N 306.409 4.583 30 20 DJED Cc1cc(Sc2ncnc3c2oc2ccccc23)ccc1C#N 1458443860 WWOIHZCYALGVCY-UHFFFAOYSA-N 317.373 4.707 30 20 DJED C[C@H]1CN(Cc2ccc(C#N)cc2Cl)CC[C@H]1c1ccccc1 1459670463 TYAWKWAYKILPDY-HNAYVOBHSA-N 324.855 4.837 30 20 DJED C/C(=C/c1ccccc1)CN(C)Cc1ccc(Cl)cc1C#N 1459942221 ZEPBHICCMIDVPG-GDNBJRDFSA-N 310.828 4.747 30 20 DJED C=C(CNC(=O)N1CCC[C@@H](C(C)(C)C)CC1)c1ccccc1 1470420484 OVPLTMYUUTUCOP-GOSISDBHSA-N 314.473 4.558 30 20 DJED CC(C)(C)c1cnc(S[C@H](C#N)CCc2ccccc2)o1 1473005934 VVFFKMRAHAHHLF-AWEZNQCLSA-N 300.427 4.589 30 20 DJED CCc1c(C)sc(NC(=O)[C@@H](C)CCC(C)(C)C)c1C#N 1520400675 UQVLJUHUFFUXKU-NSHDSACASA-N 306.475 4.892 30 20 DJED CC(C)(C)c1csc(NC(=O)CCC2CCCC2)c1C#N 1524040348 PQOVPDRPICQBCS-UHFFFAOYSA-N 304.459 4.826 30 20 DJED N#Cc1c(F)cccc1Oc1nc2cc(Cl)cc(Cl)c2o1 1559142322 DDFPHDQWPLMICL-UHFFFAOYSA-N 323.110 4.938 30 20 DJED CC[C@@H](Cc1ccc(Cl)cc1)Nc1cccc(F)c1C#N 1611964598 CHJSUCOJBKNTAM-AWEZNQCLSA-N 302.780 4.784 30 20 DJED CC(C)(C)[C@H](Nc1ncc(C#N)cc1F)c1ccc(F)cc1F 1612135890 WOERARZWHZXSKS-OAHLLOKOSA-N 319.330 4.570 30 20 DJED C=C(Br)CN1CCCCC[C@@H]1/C=C/c1ccccc1 1616321346 AYPSBCSWFBPCCK-FMQWLBJXSA-N 320.274 4.853 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@@H]1CCCc1ccccc1 1616332244 PEUAJGLMGQIAHK-QFIPXVFZSA-N 318.464 4.854 30 20 DJED COc1cc(C#N)ccc1CN1CCCCC[C@@H]1c1ccccc1 1644482658 JTIBVKVXPGWZJL-HXUWFJFHSA-N 320.436 4.684 30 20 DJED CCCN(Cc1ccc(C#N)cc1C)[C@@H](C)c1ccccc1OC 1652361265 RXDFDNVBYSOILN-KRWDZBQOSA-N 322.452 4.849 30 20 DJED Cc1cc(F)ccc1-c1ccc(CNc2cccc(C#N)c2)o1 1657015912 YBQFSSCNGPTHPS-UHFFFAOYSA-N 306.340 4.878 30 20 DJED C[C@H](CCC#N)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1659428736 QOXVBVVRWSZVGU-IAGOWNOFSA-N 317.436 4.816 30 20 DJED CCc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 66158138 JJUIAVFAFKKZTB-UHFFFAOYSA-N 321.424 4.563 30 20 DJED C[C@H]1CCC[C@H](Sc2nc(C(F)(F)F)ccc2C#N)C1 94336975 IHIHDZIPROBYHG-ONGXEEELSA-N 300.349 4.643 30 20 DJED C#CCCCCC(=O)N(Cc1cccs1)c1ccc(F)cc1 120129175 OLIYTFUQKAJNSG-UHFFFAOYSA-N 315.413 4.614 30 20 DJED C=CCN(Cc1cccs1)C(=O)[C@@H](CCC)c1ccccc1 216650589 YPSYPZGFIXICID-SFHVURJKSA-N 313.466 4.847 30 20 DJED CCN(CCC#N)C(=O)Nc1c(C(C)C)cccc1C(C)C 266994665 ZDYZJSSBRHYZGS-UHFFFAOYSA-N 301.434 4.701 30 20 DJED C=CCN(C(=O)Nc1cccc(-c2ccccc2OC)c1)C1CC1 271456836 DLPJQUSURDELGS-UHFFFAOYSA-N 322.408 4.545 30 20 DJED C[C@H](NCCCCC(C)(C)C#N)c1nc(C(F)(F)F)cs1 279005261 UIBJRMGPYRZNFF-JTQLQIEISA-N 319.396 4.533 30 20 DJED CC(C)Oc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1 303070157 ONOGFCIYJIQUTJ-RMKNXTFCSA-N 302.320 4.648 30 20 DJED OC(=Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)[C@@H]1CC12CCCC2 330000815 XDNPYZXEWKCSPN-HNNXBMFYSA-N 322.412 4.517 30 20 DJED CC(C)CCN(CCC#N)Cc1csc(C2CCCC2)n1 362170274 OPKDTZBGNOBFLX-UHFFFAOYSA-N 305.491 4.562 30 20 DJED Cc1c(F)cccc1C(=O)Nc1sc(C(C)(C)C)cc1C#N 421571896 ZPXVFEARKPAMPU-UHFFFAOYSA-N 316.401 4.617 30 20 DJED C=CCN(C)C(=O)Nc1ccccc1Oc1ccc(Cl)cc1 429371342 HTYDJIMTPAVCAL-UHFFFAOYSA-N 316.788 4.782 30 20 DJED N#Cc1c(F)ccc(-c2nc3cc(F)ccc3s2)c1Cl 430893464 IXLMJDMSNRHGHL-UHFFFAOYSA-N 306.724 4.767 30 20 DJED C=CCC[C@H](NC(=O)Nc1ccc(OC)cc1C)c1ccccc1 435620026 YPLQKHGZRSYCKT-IBGZPJMESA-N 324.424 4.833 30 20 DJED Cc1ccc(-c2n[nH]c(SCCCCC(C)(C)C#N)n2)cc1 436126701 JOFQACFLCQQARO-UHFFFAOYSA-N 314.458 4.592 30 20 DJED N#C[C@@H]1CC[C@@H](Nc2cc(Cl)ccc2OC2CCCC2)C1 442852077 KQSOWPTVOSSWRG-TZMCWYRMSA-N 304.821 4.766 30 20 DJED CC1(C#N)CCC(NCCc2ccc(Cl)cc2Cl)CC1 449064748 WMWPLSALFNLBNL-UHFFFAOYSA-N 311.256 4.598 30 20 DJED Cc1cc(C#N)cc(NC(=O)N2CCC[C@@H]2c2ccccc2C)c1 455979861 FBUQXBGKQKJZRF-LJQANCHMSA-N 319.408 4.544 30 20 DJED Cc1cc(NCc2ccc(C#N)cc2F)ccc1C(F)(F)F 462171459 OKHMAWSGNQHQPC-UHFFFAOYSA-N 308.278 4.637 30 20 DJED CC#CCCCC(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1 464523473 LPGKOVKCNKALPS-GFCCVEGCSA-N 312.240 4.706 30 20 DJED C=CCCCC(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1 479517622 PQXDRFDVAMLVRI-LLVKDONJSA-N 300.229 4.869 30 20 DJED C=C(C)[C@H](NC(=O)N(CCCC)C1CC1)c1ccc(F)c(F)c1 483291671 KKZRGYGNOGPDFP-KRWDZBQOSA-N 322.399 4.556 30 20 DJED COc1cc(COc2cc(Cl)cc(C#N)c2)ccc1SC 487454001 GXPVEVLAOJEWHX-UHFFFAOYSA-N 319.813 4.521 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1sc2cc(F)ccc2c1C 490734067 OLLXNXDYESUMQU-UHFFFAOYSA-N 324.380 4.781 30 20 DJED CCCC[C@@H](CC)CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 504007455 VUWPULFTQKYKEC-QGZVFWFLSA-N 324.468 4.780 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1cc(-c2cncc(F)c2)ccc1C 512770515 DNPOGEWAGXHWKV-LJQANCHMSA-N 312.388 4.737 30 20 DJED CCCCCN(C(=O)CCc1ccc(C#N)cc1)[C@H](C)CCC 513453965 CAVSXLVJRIRSNN-QGZVFWFLSA-N 314.473 4.698 30 20 DJED N#CCCCCNC1(c2ccc(Br)cc2)CCCC1 533487367 DIBSZWKTCQOQLT-UHFFFAOYSA-N 321.262 4.502 30 20 DJED Cc1c([C@@H](C)Nc2ccc(C#N)c([N+](=O)[O-])c2)oc2ccccc12 555157527 DIJAUXCLEACKGK-GFCCVEGCSA-N 321.336 4.694 30 20 DJED N#CCCC1CCN(Cc2csc(C3CCCCC3)n2)CC1 566173621 MCQOPLQLUFHXCJ-UHFFFAOYSA-N 317.502 4.707 30 20 DJED C=CCN(CCC#N)C(=O)Nc1ccc2oc3ccccc3c2c1 566774853 LTSSWYDYVPZOTP-UHFFFAOYSA-N 319.364 4.520 30 20 DJED C=CCCC(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2 588091795 AVVPGVCECXHXEX-UHFFFAOYSA-N 324.468 4.972 30 20 DJED CC(C)O[C@@H](CN[C@@H](CCC#N)c1ccccc1)c1ccccc1 589990839 FLWXKJCEZNFVSU-SFTDATJTSA-N 322.452 4.787 30 20 DJED C=CC[C@H](C)NC(=O)C1(Cc2cccc(Cl)c2)CCCC1 607653124 QBBKXUVZEIJJSE-AWEZNQCLSA-N 305.849 4.524 30 20 DJED Cc1cc(C#N)ccc1OCc1ccc(Cl)c2cccnc12 608885825 PEMNZUVBHYQZHL-UHFFFAOYSA-N 308.768 4.647 30 20 DJED Cc1ccccc1C1CC(NCc2ccc(C#N)c(Cl)c2)C1 619754737 JMLFDZUQHMSWGK-UHFFFAOYSA-N 310.828 4.556 30 20 DJED C=C(CNC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 672598642 MFCSRLIYUARQID-UHFFFAOYSA-N 320.314 4.540 30 20 DJED CC(=O)c1ccc(C#N)c(NC[C@H]2CCCC[C@@H]2C(F)(F)F)c1 680374650 HUTKTVZKQAMPHR-CABCVRRESA-N 324.346 4.541 30 20 DJED COc1ccc(/C=C/C(=O)c2oc3ccc(OC)cc3c2C)cc1 729150272 JJFWOGZWWVZYIU-UXBLZVDNSA-N 322.360 4.655 30 20 DJED C=CC1CCN(C(=O)/C=C(/C)c2ccc(C(F)(F)F)cc2)CC1 732002752 FERIHCSYMZZXLM-SEYXRHQNSA-N 323.358 4.533 30 20 DJED Cc1ccsc1C(=O)/C=C/c1c(C)nn(-c2ccccc2)c1C 733749397 VQQDJPIFMHHFJW-MDZDMXLPSA-N 322.433 4.755 30 20 DJED O=C(/C=C/c1ccc(-c2c(F)cccc2F)o1)c1cccnc1 734366064 CVISQBFHQXSLBC-SOFGYWHQSA-N 311.287 4.516 30 20 DJED C#Cc1cccc(N(Cc2cccc(C)n2)Cc2cccs2)c1 745984645 VUFHHSGLOVMMSR-UHFFFAOYSA-N 318.445 4.640 30 20 DJED CCCCCCCCCN(C)C(=O)c1csc(C2CC2)n1 747379529 MTMSWPSBYXQBJL-UHFFFAOYSA-N 308.491 4.843 30 20 DJED Cc1c(Cl)c(CN(CCC#N)CC(C)C)nc2ccccc12 755670514 NRVTYWSLJUIOPG-UHFFFAOYSA-N 315.848 4.568 30 20 DJED O=C(/C=C/C=C/c1ccc(F)cc1F)c1cccc(F)c1F 758061712 CYTRXIRLZDIDTL-BQJQTIKASA-N 306.258 4.695 30 20 DJED Cc1ccc2c(C)cc(NN=C3CC(C(F)F)C3)nc2c1C 766015008 ICVXVGJCLXWMDN-UHFFFAOYSA-N 303.356 4.603 30 20 DJED C=CC[C@@H](N[C@@H](C)c1ccc(OC(C)C)cc1)c1ccncc1 766022885 YMDYJBIOCXTCJL-OXJNMPFZSA-N 310.441 4.837 30 20 DJED C[C@@H](N[C@H](C)c1nc2ccccc2s1)c1cccc(C#N)c1 766348788 BHUUZQVWMPKWQX-CHWSQXEVSA-N 307.422 4.580 30 20 DJED CCCCC[C@](C)(CC)C(=O)N(C)Cc1cccc(C#N)c1 780328429 XSKHICWMOSZHPH-IBGZPJMESA-N 300.446 4.513 30 20 DJED C=CCC[C@@H](C(=O)OCc1csc(Cl)n1)c1ccccc1 793242172 PNDVEJKPXYDMFZ-CQSZACIVSA-N 321.829 4.590 30 20 DJED COc1ccccc1CON=CC1CCC(C(F)(F)F)CC1 799118035 RRGOCQGCARIWEB-UHFFFAOYSA-N 315.335 4.566 30 20 DJED C[C@H]1/C(=C/c2cccc(OCCCC#N)c2)C(=O)c2ccccc21 809157623 UHFVKDSKYAOZAH-KWPCUBQOSA-N 317.388 4.753 30 20 DJED C#C[C@@H](NCc1coc2ccccc12)c1ccc(Cl)cc1F 809699118 NCHVTWYFKQXQHC-QGZVFWFLSA-N 313.759 4.689 30 20 DJED CC(C)(CC#N)CNC(=O)Nc1ccc2c(c1)oc1ccccc12 838755577 OBMDUJNMEHAVSM-UHFFFAOYSA-N 321.380 4.647 30 20 DJED CC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1O 841761725 KHGLICOCFZZUSE-RBUKOAKNSA-N 324.399 4.521 30 20 DJED C=CC(C)(C)CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 892538881 PWNVMIOGCUXBJU-NSHDSACASA-N 318.829 4.728 30 20 DJED Cc1ccsc1/C=C\C(=O)c1sccc1Br 915113417 OTAIWJCKRGLKQZ-IHWYPQMZSA-N 313.241 4.777 30 20 DJED CCCCCCCC(=O)Nc1cc(NC(=O)C2CC2)ccc1C 915651046 ZSVITLCFRSNLAP-UHFFFAOYSA-N 316.445 4.643 30 20 DJED CCOc1c(Cl)cc(/C=C/C(=O)c2cccs2)cc1OC 916137082 MOJZRAYTYHZOOR-VOTSOKGWSA-N 322.813 4.705 30 20 DJED N#Cc1ccc(CN2C[C@H](c3ccccc3)c3ccccc32)s1 1307730870 ZKZQQNCXMQCAPE-LJQANCHMSA-N 316.429 4.772 30 20 DJED CC(C)[C@H](C)N(CCCC1(C#N)CCOCC1)c1ccccc1 1308073963 NYYNBWZSPWEBOM-SFHVURJKSA-N 314.473 4.638 30 20 DJED C[C@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1349230678 VJFGDGXTTOVDHZ-FRRDWIJNSA-N 316.470 4.509 30 20 DJED CCC(C#N)(CC)C(=O)Nc1ccc2oc3ccccc3c2c1 1350999935 TZSSSDCUDPKCAU-UHFFFAOYSA-N 306.365 4.854 30 20 DJED CC(C)C[C@@H]1C[C@H]1C(=O)Nc1sc(-c2ccccc2)cc1C#N 1355950256 SJOIGZYWDZRPLB-GDBMZVCRSA-N 324.449 4.907 30 20 DJED N#Cc1ccc(CN(CCC2CCC2)Cc2cccc(F)c2)cc1 1473231583 NUAORXHPIIFSKQ-UHFFFAOYSA-N 322.427 4.890 30 20 DJED C[C@H](CCC#N)CN[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 1474576282 KNIIHNCKKGEPRO-UWWQBHOKSA-N 304.865 4.896 30 20 DJED CC(C)(CN[C@H]1CCC[C@@H](C#N)C1)c1ccc2ccccc2c1 1474651173 GMSVQOSVHYDBFG-UZLBHIALSA-N 306.453 4.789 30 20 DJED CC(C)Cc1cccc([C@H](C)C(=O)Nc2ccc(F)cc2C#N)c1 1515018341 ZJFMYCGBKAPUFC-AWEZNQCLSA-N 324.399 4.638 30 20 DJED CC[C@H](C#N)[C@H](OC(=O)/C(C)=C\c1ccco1)c1cccs1 1519365290 KLFHYTMFAPKHJS-CEXFEBICSA-N 315.394 4.579 30 20 DJED CC[C@H](OC(=O)C1(C#N)CCCCC1)c1cccc(Cl)c1 1521478440 SUZHYTUECWLDIG-HNNXBMFYSA-N 305.805 4.808 30 20 DJED CC(C)(C)c1csc(NC(=O)C2CCC3(CC2)CC3)c1C#N 1524039603 HMPRBTBVUNVUKY-UHFFFAOYSA-N 316.470 4.826 30 20 DJED CC(C)[C@@H](CNCc1ccc(C#N)c(Cl)c1)c1ccccc1 1620913343 BXOZCXBSJZBYLL-GOSISDBHSA-N 312.844 4.741 30 20 DJED CCN(CCC1(C#N)CCCCC1)[C@H](C)c1cccc(O)c1 1641906605 ZXGSSFFYRGSZPQ-MRXNPFEDSA-N 300.446 4.639 30 20 DJED CCc1ccc([C@@H]2C[C@H](C)CCN2CCc2ccc(C#N)cc2)o1 1644708293 WRWRGSLYQBOZED-UZLBHIALSA-N 322.452 4.729 30 20 DJED CC[C@H](C)Oc1ccc(Nc2snc(Cl)c2C#N)cc1 1650676941 OOJNYWCWQGXUDB-VIFPVBQESA-N 307.806 4.589 30 20 DJED N#Cc1csc(CNCC2(Cc3ccccc3)CCCC2)c1 1657043760 JJTWWULVGPLVQY-UHFFFAOYSA-N 310.466 4.512 30 20 DJED N#Cc1cc(Cl)ccc1CN1CC2(CCC2)c2ccccc21 1658227535 AMRFNYDGIJJBIT-UHFFFAOYSA-N 308.812 4.654 30 20 DJED Cc1ccc(/C=C\C(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)O 1776119915 PGGYMMAUHASIOR-GHXNOFRVSA-N 322.404 4.887 30 20 DJED O=C(/C=C\c1ccc(F)c(C(=O)O)c1)c1ccc(C2CCC2)cc1 1777570154 YWGJJKLBZILLAI-WZUFQYTHSA-N 324.351 4.688 30 20 DJED CC(C)c1nc(CN(Cc2ccc(C#N)cc2)C(C)C)cs1 63750688 FSIFOAMNCZMKSC-UHFFFAOYSA-N 313.470 4.549 30 20 DJED N#Cc1ccc(CNc2ccccc2CCC(F)(F)F)c(F)c1 89119159 OLPMKHPYMPRLIT-UHFFFAOYSA-N 322.305 4.804 30 20 DJED CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCCc3ccccc32)c1 113952420 ZSVYWUQKCMXYKX-WIYYLYMNSA-N 320.436 4.535 30 20 DJED CCCCCCC[S@](=O)Cc1ncc(Cl)cc1Cl 122125658 XPJKHTMHXXHRSB-GOSISDBHSA-N 308.274 4.608 30 20 DJED CC(C)(C#N)CCCOc1cccc(NC(=O)c2ccccc2)c1 135505288 KROQCTDQDOUBAV-UHFFFAOYSA-N 322.408 4.648 30 20 DJED CC(C)c1ccc(NC(=O)N(C)[C@@H](C)CC#N)c(C(C)C)c1 175725269 NGTRTCJSJKBQKY-AWEZNQCLSA-N 301.434 4.699 30 20 DJED N#Cc1csc(CN[C@@H](c2ccc(Cl)cc2)C2CCC2)c1 177697246 AJCCQXHSNDGENZ-QGZVFWFLSA-N 316.857 4.904 30 20 DJED C=CC[C@H](C(=O)Nc1ccc(F)cc1OCC)c1ccccc1 186844734 BIPCCGWHZNHSFK-INIZCTEOSA-N 313.372 4.523 30 20 DJED CC(C)(C)c1cc(NC(=O)c2ccoc2C2CC2)c(C#N)s1 281604362 SBBOOPKJNAVSPI-UHFFFAOYSA-N 314.410 4.640 30 20 DJED C=CCC[C@H](N[C@@H]1CCOc2ccc(F)cc21)c1ccco1 287526770 OTMOBRJAXXNDCI-CVEARBPZSA-N 301.361 4.539 30 20 DJED Cc1nc(-c2ccccc2)sc1[C@@H](C)Nc1cccc(C#N)n1 301298895 ZJGFNNFIRWLUKM-GFCCVEGCSA-N 320.421 4.558 30 20 DJED C[C@@H](Cc1cccc(Cl)c1)N[C@H](CCC#N)c1ccccc1 338446097 RLDVCWSEEJZXHV-HNAYVOBHSA-N 312.844 4.906 30 20 DJED C=CCCCC(=O)N(CC)[C@H](c1ccc(C)cc1)c1cccnc1 365762763 CRCYKFQMUBZGLN-OAQYLSRUSA-N 322.452 4.684 30 20 DJED N#C[C@@H]1CC[C@@H](N[C@H](c2cccc(Cl)c2)C2CCCC2)C1 442836299 ZRFRRKGXLGFFME-XWIAVFTESA-N 302.849 4.853 30 20 DJED CC(C)(C)[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1F 463239239 VBMADKFRNDCPHQ-HACGYAERSA-N 306.400 4.724 30 20 DJED CC#CCCCC(=O)N1CCC(c2cccc3ccccc23)CC1 464654048 AIMCSGNXHLMEQQ-UHFFFAOYSA-N 319.448 4.739 30 20 DJED C=CCCC(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 478117911 FZLIKDNNZHYFOX-UHFFFAOYSA-N 324.251 4.965 30 20 DJED C=CCC[C@H](CC)N[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 483668868 LVYOBBQPOLKFRQ-HIFRSBDPSA-N 317.408 4.580 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCC(c2ccsc2)CC1 486005161 ORJGVZFGDIRPEB-UHFFFAOYSA-N 324.493 4.929 30 20 DJED C=CCN(C)[C@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1 494668583 RVAKQUMIAMXTAG-SNVBAGLBSA-N 311.212 4.827 30 20 DJED C[C@H](Sc1ccc(C#N)cn1)C(=O)c1ccc(C(C)(C)C)cc1 495266455 GHADNOLZCPYKSX-ZDUSSCGKSA-N 324.449 4.614 30 20 DJED Cc1c(C#N)cccc1NC(=O)CCC(C)(C)c1ccccc1 513927333 GKEDDIAQOFHVLA-UHFFFAOYSA-N 306.409 4.563 30 20 DJED COc1ccccc1-c1ccc([C@@H](C)N(C)CC2(C#N)CC2)cc1 538352505 BXZWQOXHRJHIDG-MRXNPFEDSA-N 320.436 4.659 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C 558315540 JXIPKRDTLUZLRY-HOCLYGCPSA-N 313.445 4.545 30 20 DJED CC[C@@H](N[C@H](C)CCOCc1ccccc1)c1ccc(C#N)cc1 565957761 PEZQDVJIKSZUBT-DYESRHJHSA-N 322.452 4.594 30 20 DJED C=CCOc1ccc(CN[C@H](C)c2nccc3ccccc23)cc1 577803201 GIKTWINRSMXQPL-MRXNPFEDSA-N 318.420 4.650 30 20 DJED N#Cc1ccc2c(c1)[C@@H](Nc1ccc3oc(C4CC4)nc3c1)CC2 581458545 XXSXTTPKLYPRFF-KRWDZBQOSA-N 315.376 4.676 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccccc1C1CC1 591357482 FTSMOCNBKFVZNA-NRFANRHFSA-N 302.421 4.603 30 20 DJED CCCN(C(=O)c1ccc(C)cc1)c1cc(Cl)ccc1C#N 609286211 NSIMKHVAOVYIDB-UHFFFAOYSA-N 312.800 4.577 30 20 DJED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCCC2 618803317 HXBDLVMSRTVSAF-QRQCRPRQSA-N 316.448 4.775 30 20 DJED Fc1cccc(Cl)c1C=NNc1ccc(OC(F)F)cc1 726429854 SLMLFIKRCWSIMB-UHFFFAOYSA-N 314.694 4.527 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2ccc(CC(C)C)cc2)cc1 726942328 VLCFRHRMJPPIMQ-UHFFFAOYSA-N 320.436 4.754 30 20 DJED CC(=NN=c1cc[nH]c2ccccc12)c1oc2ccccc2c1C 730146026 BAJWUZZGACLVDP-UHFFFAOYSA-N 315.376 4.547 30 20 DJED Cc1ccc(-c2ccc(C(=O)OCCCCC#N)c(F)c2)cc1 730346877 REFMMADVUWBLAN-UHFFFAOYSA-N 311.356 4.652 30 20 DJED Fc1ccc([C@@H]2CCCC2=NNc2cnc3ccccc3n2)cc1 741163549 VJRNSLABUMCBLB-HNNXBMFYSA-N 320.371 4.505 30 20 DJED Fc1ccc2oc(C=NNc3ccc4ccccc4n3)cc2c1 741756937 KPWOOTNEZYNWNN-UHFFFAOYSA-N 305.312 4.566 30 20 DJED CCCCCC[C@@H](C)C(=O)N[C@@H](CCC#N)c1ccccc1 749035739 ROSCJKGJUFPBSG-AEFFLSMTSA-N 300.446 4.754 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CCC(c2ccc(F)cc2)CC1 752096498 VEMWHBOGBOCDKG-OAHLLOKOSA-N 308.400 4.638 30 20 DJED C=C(C)[C@H](CC(=O)Nc1ccc(Nc2ccccc2)cc1)OCC 755449492 GIODWRRJLPMQFH-IBGZPJMESA-N 324.424 4.740 30 20 DJED C#CC[C@H](NC(=O)Nc1cccc2ccsc12)c1ccccc1 757901074 UPURKIWEAAADHD-INIZCTEOSA-N 320.417 4.787 30 20 DJED CC(=NNc1nc(-c2ccccc2)cs1)c1ccc(N)cc1C 758100021 QWZXWRZMIPSFPS-UHFFFAOYSA-N 322.437 4.537 30 20 DJED COc1ccc2cc(/C=C\C(=O)c3ccc(C#N)s3)ccc2c1 762442386 KHUCLRGFBYBIPF-BAQGIRSFSA-N 319.385 4.678 30 20 DJED CCCCCCCCC(=O)N1CCC(c2ncc(C)s2)CC1 762735738 XUIBQMUDKWTFAA-UHFFFAOYSA-N 322.518 4.908 30 20 DJED C[C@]1(c2ccccc2)CCC(=NNc2cc(C#N)cc(Cl)n2)C1 780234503 BLFJJWGSORSEQJ-SFHVURJKSA-N 324.815 4.516 30 20 DJED Cc1c(C(=O)/C=C/c2ccc(F)c(Cl)c2)cnn1C(C)(C)C 787185831 JBWDTYJPDRGHIF-SOFGYWHQSA-N 320.795 4.635 30 20 DJED CC(C)n1nccc1/C=C/C(=O)c1ccc(Cl)cc1Cl 794926246 KLGRLJJYSZEROO-GQCTYLIASA-N 309.196 4.667 30 20 DJED C=CCC[C@H](Nc1ccc(OCCOC)c(F)c1)c1ccco1 796870970 FTWOSKRMFBDPMP-INIZCTEOSA-N 319.376 4.563 30 20 DJED COc1cc(/C=C2\C(=O)c3ccccc3[C@H]2C)ccc1SC 809159405 OUDDWWFQBWMYOY-YUSFRKCESA-N 310.418 4.801 30 20 DJED C/C(C=NOCc1ccccc1)=C\c1ccccc1OC(F)F 811637077 QJRGRJAEDRVONW-UJVFBOAKSA-N 317.335 4.894 30 20 DJED CC(=NNc1ccc(F)c(F)c1F)c1csc(C(C)C)n1 814945919 WSSCDCJHLNXAQI-UHFFFAOYSA-N 313.348 4.520 30 20 DJED C=CC[C@H](NCc1csc(C(F)(F)F)c1)c1ccncc1 858139062 OCKNWKMUZLFDER-ZDUSSCGKSA-N 312.360 4.569 30 20 DJED CCCCNc1nnc(SCCCCC(C)(C)C#N)s1 1116783045 QEMRILZKPSLVKC-UHFFFAOYSA-N 312.508 4.562 30 20 DJED Cc1c(C#N)cccc1C(=O)N(Cc1ccccc1)CC(C)(C)C 1125944928 DBTXFZLEEZBUCW-UHFFFAOYSA-N 320.436 4.555 30 20 DJED Cc1ccc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1C 1167464679 OXIFHNYKHJNICF-LEWJYISDSA-N 304.437 4.575 30 20 DJED C=C(CNC(=O)Nc1ccc(O[C@@H](C)CC)cc1)c1ccccc1 1214889979 KIYLIQLHMCTVMJ-INIZCTEOSA-N 324.424 4.699 30 20 DJED CC(C)(C#N)CCN(Cc1ccccc1)Cc1ccccc1F 1307436073 WTOUPRNIOMZZGS-UHFFFAOYSA-N 310.416 4.768 30 20 DJED CC(C)c1ccc2c(c1)[C@@H](NCc1cccc(F)c1C#N)CC2 1308708696 GVYJZZWPDMVXFK-FQEVSTJZSA-N 308.400 4.598 30 20 DJED CC[C@H](Nc1ccc(OCC#N)cc1)c1cccc(Cl)c1O 1322765679 ILCMMRPVJVIBKD-INIZCTEOSA-N 316.788 4.511 30 20 DJED N#CCOc1ccc(N[C@H]2CCCc3c(Cl)cccc32)cc1 1337800965 OLDPMPCWXYRBOT-SFHVURJKSA-N 312.800 4.732 30 20 DJED C=CCC[C@@H]1CCCN1C(=O)Nc1cc(SC)ccc1C 1347706574 QXDABTDEWQSKBB-CQSZACIVSA-N 304.459 4.679 30 20 DJED C=C(Cl)CNC(=O)C1(c2ccc(C(C)C)cc2)CCCCC1 1444365763 ZVYYLCXZPAUSOY-UHFFFAOYSA-N 319.876 4.881 30 20 DJED CC(C)(C)c1ccc(CCC(=O)Nc2cc(F)cc(C#N)c2)cc1 1462161231 KSCMJPJZHHTNGQ-UHFFFAOYSA-N 324.399 4.566 30 20 DJED C[C@H]1c2ccc(F)cc2CCN1c1nc(C(C)(C)C)ccc1C#N 1472869290 FLFDSTQHQPQFGT-ZDUSSCGKSA-N 323.415 4.514 30 20 DJED CC[C@H](OC(=O)c1cc(C#N)cs1)c1c(F)cccc1Cl 1535280580 NYGZICDHZACDJT-LBPRGKRZSA-N 323.776 4.720 30 20 DJED CC(C)[C@H](C(=O)O[C@H](C)c1cccc(C#N)c1)c1ccccc1 1544194388 QVDSCUPGVMALMQ-BEFAXECRSA-N 307.393 4.602 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C/C=C\c1ccc(F)c(F)c1 1560897650 IJRJDIIOCOZPEF-KXQLTZBTSA-N 312.363 4.543 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)c1ccc2ccccc2n1 1584892526 OQAGFMUPFBPQOS-UHFFFAOYSA-N 323.355 4.512 30 20 DJED CC(C)(CCc1ccccc1)NCc1ccc(Cl)cc1C#N 1657192150 DLZIRUPZMLGRPE-UHFFFAOYSA-N 312.844 4.713 30 20 DJED C[C@H](CCC#N)CN(C)[C@H](c1ccccc1)c1ccc(F)cc1 1658708935 PUCRZRMZSTVMIV-OXQOHEQNSA-N 310.416 4.787 30 20 DJED N#C[C@@H]1CC[C@@H](Nc2c(-c3ccccc3)[nH]c3ccccc23)C1 1658969953 SDWQYQYEWYPZGD-GDBMZVCRSA-N 301.393 4.939 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1cccc(C2CC2)c1 1776784106 XQCSMFXANVZAHW-LJQANCHMSA-N 317.473 4.857 30 20 DJED N#Cc1c(F)cccc1NC(c1ccccc1)c1ccccc1 7906400 VVDOZYUTQLRUCZ-UHFFFAOYSA-N 302.352 4.899 30 20 DJED Cc1cc(/C=C2\CSc3c(F)cccc3C2=O)cc(C)c1O 15662226 PNAHCYXVRPFGHY-MDWZMJQESA-N 314.381 4.520 30 20 DJED COc1cc(/C=C\C(=O)c2ccc(C)cc2)cc(Cl)c1OC 34882746 WTRDTBJUZZLCND-TWGQIWQCSA-N 316.784 4.562 30 20 DJED CC(C)=CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 46443703 AQCSXBADZJBVDE-ZDUSSCGKSA-N 316.813 4.606 30 20 DJED CC(C)c1ccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1 47376109 DCCJPFXGKFTTNZ-SFHVURJKSA-N 314.388 4.848 30 20 DJED CC(C)c1nc(CNc2cccc(OCCCC#N)c2)cs1 79922746 HDNMJUAWNRACMA-UHFFFAOYSA-N 315.442 4.561 30 20 DJED Cc1cscc1C(=O)Nc1sc2c(c1C#N)CCCCC2 175263181 NCKDOMOHLCSMPP-UHFFFAOYSA-N 316.451 4.511 30 20 DJED Cc1cscc1C(=O)Nc1ccccc1SC[C@H](C)C#N 176562126 HRUYIPQBJXTMHT-LLVKDONJSA-N 316.451 4.561 30 20 DJED C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1nc(-c2ccccc2)cs1 185817753 NVALAVZKTPXKLY-IJEWVQPXSA-N 311.454 4.543 30 20 DJED O=C(/C=C/c1ccc(OC(F)F)cc1)c1c[nH]c2ccccc12 195571848 CMJGSFBJWRIBLQ-JXMROGBWSA-N 313.303 4.665 30 20 DJED N#Cc1csc(CNC2(c3ccc(Cl)cc3)CCCC2)c1 237659621 DPHGPCYJAWYMNK-UHFFFAOYSA-N 316.857 4.832 30 20 DJED C[C@H](C#N)Oc1ccc(CN2CCCCC[C@H]2c2ccco2)cc1 245769650 ROHFNBXRXAFVME-APWZRJJASA-N 324.424 4.688 30 20 DJED C=CCCNc1ccccc1C(=O)Nc1ccc(Cl)cc1 303933742 XNYBXPVMVCPAHE-UHFFFAOYSA-N 300.789 4.580 30 20 DJED C=CCC[C@@H](NCc1ccn(C)c1)c1ccc(C(F)(F)F)cc1 343187257 FWNOQMNXTFHVAL-QGZVFWFLSA-N 322.374 4.841 30 20 DJED Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc(C#N)cc2)cc1 437651814 FROXAPNMERDZFU-LJQANCHMSA-N 319.408 4.626 30 20 DJED C[C@H](NCc1ccc(C#N)cc1Cl)c1cc2ccccc2o1 439456380 YITPKFXZHMFBOK-LBPRGKRZSA-N 310.784 4.809 30 20 DJED Cc1ccc(F)c(CN(C)Cc2ccccc2C(C)(C)C#N)c1 444738398 TZXIHZKBMVQEBU-UHFFFAOYSA-N 310.416 4.567 30 20 DJED C=C[C@H](C)NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 465144462 LIDYIAYPPHUZGK-LBPRGKRZSA-N 319.326 4.677 30 20 DJED CCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H]1CCCC[C@H]1C 475604994 SYHZCVRLXBOTRB-NEWSRXKRSA-N 312.457 4.501 30 20 DJED N#Cc1ccc(N[C@H]2CCCc3cc(OC(F)F)ccc32)cc1 477597952 MMQGUWLIHRYGJU-KRWDZBQOSA-N 314.335 4.649 30 20 DJED N#CCCCN1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 483955709 OHJLAXXNIVGEEQ-LJQANCHMSA-N 310.828 4.743 30 20 DJED CN(Cc1ccc(Cl)s1)Cc1ccccc1C(C)(C)C#N 487399402 MKNYFOGQMZTGPB-UHFFFAOYSA-N 318.873 4.835 30 20 DJED N#Cc1cc(F)ccc1CSCc1cc(-c2ccccc2)no1 488494531 NVJKSLPZFVOVIV-UHFFFAOYSA-N 324.380 4.786 30 20 DJED C=CCC[C@H](C(=O)N[C@H](CC)CC(F)(F)F)c1ccccc1 490225969 YQZUDWIDWLCMLA-CABCVRRESA-N 313.363 4.584 30 20 DJED Cc1cccc(C)c1NCc1cc(C#N)ccc1Br 492718781 BVCIQYIQFJNABH-UHFFFAOYSA-N 315.214 4.550 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccccc1OCC(C)C 523559891 DUYPXVJIJMOXGE-UHFFFAOYSA-N 318.461 4.932 30 20 DJED C=CCCCCCN(C)C(=O)c1cccc(-c2ccccn2)c1C 533648158 MBFUUEDTDBMIQS-UHFFFAOYSA-N 322.452 4.875 30 20 DJED C[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)Sc1ccccc1 537408154 SNVGTWLXRHTLQX-KBPBESRZSA-N 314.429 4.529 30 20 DJED N#CCCCN[C@@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 543427378 ZMZUOWBVSZZTMZ-HZPDHXFCSA-N 310.363 4.625 30 20 DJED Cc1ccc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cc1C 553293906 OTRWVAJDCFSAIG-IERDGZPVSA-N 304.437 4.903 30 20 DJED CC(C)(CCC#N)CNc1cc(Cl)ccc1OC(F)F 576747194 XVFBIXRJCNRNBP-UHFFFAOYSA-N 302.752 4.683 30 20 DJED Cc1cccc(C)c1CN(CC(C)C)C(=O)CCCCCC#N 592672136 MJZZQPZEUKNMHZ-UHFFFAOYSA-N 314.473 4.762 30 20 DJED COc1ccc2oc([C@@H](C)N[C@@H](C#N)c3ccccc3)c(C)c2c1 595429116 LRDJXGZJGQZADY-KDOFPFPSSA-N 320.392 4.665 30 20 DJED N#Cc1ccc(NCc2cccc(COc3ccccc3)c2)cc1 603944326 BNJSFOLLEJEODB-UHFFFAOYSA-N 314.388 4.749 30 20 DJED CC[C@H](C)[C@@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1 604419118 LHPRLZKWRRJAOT-DLBZAZTESA-N 322.452 4.661 30 20 DJED N#Cc1cc(F)c(NCc2cccc(Cl)c2Cl)c(F)c1 604532045 AUNYRTGQXVXMQM-UHFFFAOYSA-N 313.134 4.755 30 20 DJED CCN(C(=O)c1cc2occc2s1)[C@H](C)c1ccc(C#N)cc1 609854958 XVCSQANERGQRLF-GFCCVEGCSA-N 324.405 4.589 30 20 DJED C[C@H](NC1c2ccccc2-c2ccccc21)c1cccc(C#N)c1 611388164 DIRBYGMRHRHTSZ-HNNXBMFYSA-N 310.400 4.979 30 20 DJED C=CCC[C@@H](C(=O)N(CC)CCC(F)(F)F)c1ccccc1 681656029 NJFNFJWZMXJZJF-OAHLLOKOSA-N 313.363 4.537 30 20 DJED O=C1/C(=C/c2ccc3ncccc3c2)Oc2c(Cl)cccc21 729149220 DOSTZVQJTZXUQK-YBEGLDIGSA-N 307.736 4.504 30 20 DJED CC1(C)Cc2cc(/C=C3\CCc4sccc4C3=O)ccc2O1 729150769 MLMHKSPVNWDARC-UKTHLTGXSA-N 310.418 4.674 30 20 DJED Cn1nc(-c2ccccc2)c(/C=C/C(=O)c2ccccc2)c1Cl 734752428 DFVUZVVJVJAVMI-OUKQBFOZSA-N 322.795 4.637 30 20 DJED CCOc1ccc(/C=C\C(=O)c2coc3ccccc23)cc1OC 747704722 FJDLXQIMEVGIIX-NTMALXAHSA-N 322.360 4.736 30 20 DJED N#Cc1ccc(C=NN(c2ccccc2)c2ccccc2)s1 748778822 QSIPSAAOTOZLSS-UHFFFAOYSA-N 303.390 4.792 30 20 DJED O=C1/C(=C\c2cnc(-c3ccccc3)s2)Cc2ccc(F)cc21 749000005 CGTCRDNHKHGULV-ZROIWOOFSA-N 321.376 4.772 30 20 DJED O=C(/C=C/C1=Cc2ccccc2OC1)c1ccc(F)c(Cl)c1 749358507 RTLVLBAYFMAPNU-VMPITWQZSA-N 314.743 4.694 30 20 DJED CC(C)c1ccc(-c2noc(Cc3ccccc3CC#N)n2)cc1 761372716 SWNDKUJCUUZNBU-UHFFFAOYSA-N 317.392 4.517 30 20 DJED CC[C@@H](C#N)Oc1cccc(CNC2CCCCCCC2)c1 772983423 HTOVNEBBQRWEPD-SFHVURJKSA-N 300.446 4.570 30 20 DJED C=CCCOCCCCC(=O)Oc1cc(Cl)cc(Cl)c1 775647665 XNSJZVXXNSUSIU-UHFFFAOYSA-N 317.212 4.662 30 20 DJED Cc1cc(/C=C2\Cc3c(F)cc(F)cc3C2=O)cc2cccnc12 783709199 LLQCTRFOOZFORX-VGOFMYFVSA-N 321.326 4.644 30 20 DJED Cc1noc(C)c1/C=C/C(=O)c1ccc(OC(C)C)c(Cl)c1 789157942 RTWMZVLJASJDRI-VOTSOKGWSA-N 319.788 4.628 30 20 DJED CCC(=NNc1ccccc1F)c1ccc(OC(F)F)cc1 812458816 LWLIJYOZQXVGJA-UHFFFAOYSA-N 308.303 4.653 30 20 DJED C=C(C)C(C)(C)C(=O)O[C@H](C)c1nc2ccccc2n1C(F)F 819952383 DZNMCYWPUFNTCI-LLVKDONJSA-N 322.355 4.638 30 20 DJED N#Cc1ccc(N2Cc3cccc(Cl)c3C2)c(C(F)(F)F)c1 864018185 ONMVQGXBDKZNHC-UHFFFAOYSA-N 322.717 4.751 30 20 DJED FC(F)(F)c1cccnc1NN=C1CCCCc2ccccc21 915051013 JPSSTWCQLJXWRB-UHFFFAOYSA-N 319.330 4.643 30 20 DJED CC(=NNc1nccc2sccc12)c1ccc2c(c1)CCC2 915980471 WYUUPZNCCPTMRC-UHFFFAOYSA-N 307.422 4.621 30 20 DJED Cc1ccc(C(=O)/C=C\c2cccc(Br)c2)s1 917041993 BNCRNZDPDAMLSU-SREVYHEPSA-N 307.212 4.715 30 20 DJED N#CC[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 1124461270 LFOLODJEZJCHGF-HNNXBMFYSA-N 319.191 4.629 30 20 DJED CN(CCC(C)(C)C#N)Cc1ccccc1OCc1ccccc1 1196889686 URIYZHCZWRVFNC-UHFFFAOYSA-N 322.452 4.637 30 20 DJED C=CCCC[C@H](C)NC(=O)c1[nH]c2ccc(C)cc2c1Cl 1324922908 CPHPYQIGXIBHBV-LBPRGKRZSA-N 304.821 4.604 30 20 DJED CCCn1ccc2ccc(NC(=O)CC3(C#N)CCCCC3)cc21 1456863846 NNXBUMWIBYJTPC-UHFFFAOYSA-N 323.440 4.854 30 20 DJED N#Cc1cc(Cl)ccc1NC(=O)CC/C=C\c1ccccc1 1461553029 SOCHBWIDFRDOBH-YWEYNIOJSA-N 310.784 4.644 30 20 DJED CC(C)[C@@H](CC(=O)Nc1cccc(CC#N)c1)c1ccccc1 1525934701 WZWCLHPXAYSUDW-LJQANCHMSA-N 306.409 4.521 30 20 DJED C[C@H]1Cc2c(sc(NC(=O)C(C)(C)C3CC3)c2C#N)[C@H](C)C1 1527033019 YEUHEPFZJVOBPD-GHMZBOCLSA-N 316.470 4.680 30 20 DJED N#Cc1cccc(C(=O)N2CCC[C@H]2CCC2CCCCC2)c1 1535226289 OAHGOLNSLXLEOB-IBGZPJMESA-N 310.441 4.523 30 20 DJED CCCC[C@H](CCC)CNC(=O)c1ccc(C(C)(C)C#N)cc1 1544068495 BQTKNAWQLBZSPM-INIZCTEOSA-N 314.473 4.824 30 20 DJED C[C@H]1[C@@H](C)Sc2ccccc2N1Cc1ccc(F)cc1C#N 1559617722 NKDSBHQOEACHOW-QWHCGFSZSA-N 312.413 4.587 30 20 DJED N#CCc1ccc(CN2CC3(CCCC3)c3c(F)cccc32)cc1 1559643164 PTKLWMJGJOLUGN-UHFFFAOYSA-N 320.411 4.724 30 20 DJED CSc1ccc(COc2nc(C(C)(C)C)ccc2C#N)cc1 1614548251 PBRSMRHTEKTKIT-UHFFFAOYSA-N 312.438 4.552 30 20 DJED Cc1cc(C#N)ccc1CN(CCc1ccccc1)C1CCCC1 1615450856 DYKDLYFJPOFOGD-UHFFFAOYSA-N 318.464 4.854 30 20 DJED Cc1csc(Sc2c(C#N)cnc3c(Cl)cccc23)n1 1639146563 BYNKAPGXFKCSBH-UHFFFAOYSA-N 317.826 4.676 30 20 DJED Cc1cc(Nc2cccc(COC3CCCCC3)c2)ncc1C#N 1642169477 PGXPCYWTXSITMZ-UHFFFAOYSA-N 321.424 4.855 30 20 DJED CCCN(CCc1cccc(F)c1)[C@@H](C)c1cccc(C#N)c1 1657294092 VGTNXWPOIAYVGH-INIZCTEOSA-N 310.416 4.713 30 20 DJED CC(C)(C)C[C@@H]1CCN(Cc2cccc(F)c2C#N)C1(C)C 1658327907 SPGDTIUDUWSBLF-HNNXBMFYSA-N 302.437 4.734 30 20 DJED C[C@H](NCc1cccc(C#N)n1)c1ccc(Cl)c2ccccc12 1658964855 URKSICLWDHFBJY-ZDUSSCGKSA-N 321.811 4.611 30 20 DJED CC(C)(C)c1ncc(CNc2ccc(Cl)c(C#N)c2)s1 62838879 KIQSZOXLBHTBBC-UHFFFAOYSA-N 305.834 4.578 30 20 DJED N#CCc1ccc(NC(=O)C2(c3cccs3)CCCCC2)cc1 78041075 OJSQVEZRXZRFPM-UHFFFAOYSA-N 324.449 4.655 30 20 DJED CCCCCCCC(=O)Nc1ccccc1C(=O)NC(C)(C)C 100168712 FMNXIUMVRIYPCZ-UHFFFAOYSA-N 318.461 4.514 30 20 DJED C=C1CCN(C(=O)c2cc3sc4ccccc4c3s2)CC1 111175104 NNCRCNFDDKIZDL-UHFFFAOYSA-N 313.447 4.908 30 20 DJED CC(C)(C#N)CCCOc1ccc(Oc2nccs2)cc1 135510324 YCHSOJKJAPHENO-UHFFFAOYSA-N 302.399 4.644 30 20 DJED N#Cc1ccc(CN[C@@H]2CCSc3ccc(Cl)cc32)s1 135673828 LWHDWZFCQRNTEK-CQSZACIVSA-N 320.870 4.600 30 20 DJED CCN(C(=O)c1ccc(C(C)(C)C)s1)c1ccc(C#N)cc1 152065437 ONCQZTMGLHMJCQ-UHFFFAOYSA-N 312.438 4.584 30 20 DJED CC[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 160653087 GAAUVLFDVGAAJN-QGZVFWFLSA-N 302.780 4.592 30 20 DJED COc1cc(/C=C/C(=O)c2cccc(F)c2F)ccc1SC 182724822 BOTQMZSLOBDRLC-SOFGYWHQSA-N 320.360 4.591 30 20 DJED Cc1ccc(O)c([C@@H](C)Nc2cccc(OCCCC#N)c2)c1 193907399 HQVYYHGPDNNIMX-OAHLLOKOSA-N 310.397 4.556 30 20 DJED COc1cccc(/C=C\C(=O)c2ccc(C(F)(F)F)cc2)c1 206980275 CDGPWGKZAYOJQW-YHYXMXQVSA-N 306.283 4.610 30 20 DJED COc1cc(C(=O)/C=C\c2ccccc2)ccc1SC(F)F 214924151 SLJUGUMNWPZKPE-CLFYSBASSA-N 320.360 4.906 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2cccc(C(F)(F)F)c2)s1 255326981 ASYHTHLHIDOOSG-XQRVVYSFSA-N 307.296 4.535 30 20 DJED CC[C@H](N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(C#N)cc1 278680568 JVODBUSWQYSXIV-HKBOAZHASA-N 320.436 4.519 30 20 DJED N#Cc1ccc(CN2Cc3ccccc3-c3ccccc3C2)cc1 303183512 TYLOITJAYVUWOW-UHFFFAOYSA-N 310.400 4.741 30 20 DJED C[C@H]1C[C@H](C(O)=Nc2nc3cc(Cl)ccc3s2)CCC1=O 329368018 JBGNPYRSQVGSPQ-DTWKUNHWSA-N 322.817 4.543 30 20 DJED CCC(CC)CN(CCC#N)C(=O)CCCc1sccc1C 438987485 UFWUXPMVISJOPY-UHFFFAOYSA-N 320.502 4.558 30 20 DJED CC(C)(CN[C@@H]1CCC[C@@H](C#N)C1)c1ccc(C(F)(F)F)cc1 446811885 FDCMGUNHPOISGY-CZUORRHYSA-N 324.390 4.655 30 20 DJED CCCc1cccc(C(C)C)c1NC(=O)NCC(C)(C)CC#N 459533303 STGFMJJRIPGOQQ-UHFFFAOYSA-N 315.461 4.824 30 20 DJED COc1ccccc1[C@@H](C)SCc1cc(C#N)ccc1F 463212429 UCTUAAFMDZINCQ-GFCCVEGCSA-N 301.386 4.700 30 20 DJED C=CCCN(C)C(=O)Nc1ccc(S[C@H](C)CC)cc1C 466576424 MNIHBSUADOTVRK-CQSZACIVSA-N 306.475 4.925 30 20 DJED N#CC[C@@H](CC(=O)N1CCC[C@@H]1C1CCCCC1)c1ccccc1 474976130 XRFOHZSMOXLNQT-VQTJNVASSA-N 324.468 4.645 30 20 DJED CC(C)(C)CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 482776516 BABKJDSOGXERSH-UHFFFAOYSA-N 322.408 4.517 30 20 DJED Cc1cc([C@@H](NCc2ccc(C#N)c(C)c2)C2CC2)ccc1F 488167578 WGWFUDJJCCWHSD-FQEVSTJZSA-N 308.400 4.555 30 20 DJED C=CC[C@@H](C(=O)N(Cc1ccccc1)C1CC1)c1ccccc1 488968125 COGZUGHIIWTNMK-HXUWFJFHSA-N 305.421 4.538 30 20 DJED Cc1c(C#N)cccc1C(=O)Nc1ccccc1SC(C)C 510258876 OLOOKBSFOHDSQJ-UHFFFAOYSA-N 310.422 4.620 30 20 DJED Cc1ccc([C@@H]2CCCCCN2Cc2ccc(F)cc2C#N)o1 523448919 PRMXCSXSAVLXSS-SFHVURJKSA-N 312.388 4.716 30 20 DJED C=CC[C@H](C)N[C@H](Cc1cccnc1)c1ccc(Cl)cc1 544826877 HMLIIUGSXOMZRY-KBXCAEBGSA-N 300.833 4.573 30 20 DJED C[C@H](c1ccccc1Cl)N(C(=O)CCCCCC#N)C1CC1 588850671 IJGCBAFYYDXZEQ-CQSZACIVSA-N 318.848 4.866 30 20 DJED C=CCN(C(=O)c1cc2cc(F)ccc2s1)c1ccccc1 647741684 BXYKPZTWAAHBBN-UHFFFAOYSA-N 311.381 4.873 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1cc(C)ccc1C(F)(F)F 667938281 DTFZQLQZANGPHC-GFCCVEGCSA-N 312.335 4.586 30 20 DJED C#Cc1cccc(NC(=S)N(Cc2ccccc2)[C@H](C)CC)c1 726445949 RVGJVHDMPYBUTL-MRXNPFEDSA-N 322.477 4.665 30 20 DJED Cc1cc(C(=O)/C=C/c2cccc(C(F)(F)F)c2)ccc1O 728230277 CMFYPQJNUJBNDY-FNORWQNLSA-N 306.283 4.616 30 20 DJED CO[C@H](C/N=C/c1cc(Cl)ccc1O)c1ccc(Cl)cc1 741758977 VGYRSMXQBSVLHJ-LEKRSAHOSA-N 324.207 4.506 30 20 DJED COc1ccc2c(N[C@H](CCC#N)c3ccccc3)ccnc2c1 747843716 PZBOZIPEKPEMSZ-GOSISDBHSA-N 317.392 4.700 30 20 DJED O=C(/C=C/c1ccc(Cl)nc1)c1cccc(-c2ccncc2)c1 749005539 LIVXXOKQTCRHLG-GQCTYLIASA-N 320.779 4.693 30 20 DJED Cc1ccc2c(CSc3cccc(C#N)c3)cc(=O)oc2c1C 751478849 MMSYPIOUXBQGEU-UHFFFAOYSA-N 321.401 4.574 30 20 DJED CC[C@@H](C#N)Oc1cccc(CNc2ncc(C(C)C)s2)c1 754029147 HNPPVBSFQQANBS-AWEZNQCLSA-N 315.442 4.560 30 20 DJED C#Cc1cccc(NC(=O)N(CC)[C@H](CC)Cc2ccccc2)c1 759504086 VEPWFLRGJRRJSI-HXUWFJFHSA-N 320.436 4.543 30 20 DJED O=C1/C(=C/c2ccc(Cl)nc2Cl)Cc2c(Cl)cccc21 761477665 OXDOCIMLMLITKC-RMKNXTFCSA-N 324.594 4.864 30 20 DJED Cc1cccc(F)c1NN=CC1CCC(C(F)(F)F)CC1 769827838 NMMUXEDVRBJAEK-UHFFFAOYSA-N 302.315 4.901 30 20 DJED Cc1ccc2ncc(/C=C\C(=O)c3oc4ccccc4c3C)n2c1 771850289 OWWCIHRULRQICA-HJWRWDBZSA-N 316.360 4.593 30 20 DJED C#CC[C@@H](N[C@H]1CCSc2c(F)cccc21)c1ccccc1 773105657 IIMFRLMNSCRIIR-MSOLQXFVSA-N 311.425 4.717 30 20 DJED O=C1C/C(=C\c2csc3ccccc23)C(=O)c2ccccc2N1 774141143 KTXXIBQPKADQMH-FMIVXFBMSA-N 319.385 4.510 30 20 DJED N#Cc1cc2ccccc2nc1N1CCC(c2ccsc2)CC1 776842281 WBUQANYOTVVWIT-UHFFFAOYSA-N 319.433 4.552 30 20 DJED CC/C(C)=C(\C)C(=O)Nc1ccccc1SC[C@H](C)C#N 779924585 ABDZTUWIVVDTIU-VEOJIXDASA-N 302.443 4.623 30 20 DJED CCCC(=NNc1ccc2c(=O)[nH]ccc2c1)C1CCCCC1 789077026 PRTPVVZLQBUFCM-UHFFFAOYSA-N 311.429 4.676 30 20 DJED Cc1cccnc1NN=Cc1c(Cl)ccc(Cl)c1Cl 790186727 QMRKUNYBYJCOOF-UHFFFAOYSA-N 314.603 4.796 30 20 DJED C=C[C@@H](CC(=O)O[C@@H](CC)c1ccc(F)cn1)c1ccccc1 803045542 HRJIBGOQKHFOKQ-KSSFIOAISA-N 313.372 4.575 30 20 DJED N#Cc1sc(Oc2ccc(-c3ccccc3)nc2)nc1Cl 804587940 HTHXKASULRWJKU-UHFFFAOYSA-N 313.769 4.522 30 20 DJED C=CCSC1=NC(=O)/C(=C\c2csc3ccccc23)S1 814773400 QNAZTYYTYAXNDF-MDWZMJQESA-N 317.460 4.791 30 20 DJED Oc1ccc(C2CCC(=NNc3ncccc3Cl)CC2)cc1 814810596 RJORJEUZQJQHQM-UHFFFAOYSA-N 315.804 4.566 30 20 DJED C=CC(C)(C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 835069123 XBQYGVYCAOXHSB-CQSZACIVSA-N 310.422 4.507 30 20 DJED Clc1ccc([C@H]2CCCC(=NOC3CCOCC3)C2)cc1 841634429 PUWSZBSGNYKCCF-AWEZNQCLSA-N 307.821 4.549 30 20 DJED Clc1ccccc1[C@H]1CCCCC1=NOC1CCOCC1 853334353 AEHGEUMAOJUBIS-OAHLLOKOSA-N 307.821 4.549 30 20 DJED CO[C@H]1CCCCC1=NNc1cc(C)c2cc(Cl)ccc2n1 915955994 MVBWZVKWFSJPGY-INIZCTEOSA-N 317.820 4.554 30 20 DJED CC(C)c1ccc(C2(C(=O)Nc3cccc(C#N)c3)CCC2)cc1 1124268360 JVSFIECHXIKWCR-UHFFFAOYSA-N 318.420 4.742 30 20 DJED CC[C@@H](C)[C@@H](C)C(=O)Nc1sc(-c2ccccc2)cc1C#N 1125171946 DWLHSAAOABIBLA-CHWSQXEVSA-N 312.438 4.907 30 20 DJED CC(C)(CC#N)CSc1nccn1-c1ccc(Cl)cc1 1164587710 JIKDUMFNUQJKKO-UHFFFAOYSA-N 305.834 4.558 30 20 DJED N#Cc1ccc(NC(=O)[C@H]2CCC[C@@H]2c2ccccc2)c(Cl)c1 1266045406 WFFMWOWWCHPFLL-CVEARBPZSA-N 324.811 4.734 30 20 DJED CC(C)(C)c1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1Cl 1275463309 ITUXAYBSZOMZTH-OCCSQVGLSA-N 319.832 4.877 30 20 DJED Cc1nc(NCC2CCC(C(C)C)CC2)c(Cl)cc1C#N 1306996666 WPRUQHWYBPUOLK-UHFFFAOYSA-N 305.853 4.789 30 20 DJED Cc1nc(N[C@H](C)c2cc(Cl)ccc2F)c(Cl)cc1C#N 1307089300 QXHPGPGHLQIXGA-SECBINFHSA-N 324.186 4.881 30 20 DJED N#Cc1cccc(Br)c1NC[C@H]1CCC[C@@H]1C1CC1 1307141947 PCVUUALBQOLANW-ZIAGYGMSSA-N 319.246 4.559 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CCC(Cc2ccccc2F)CC1 1307525312 XLLHLMZPTIUMCW-MRXNPFEDSA-N 322.427 4.713 30 20 DJED Cc1cccnc1[C@H]1CCC[C@H](Nc2cc(F)cc(C#N)c2)C1 1308900493 FZNPRZGLZWDXCQ-RDJZCZTQSA-N 309.388 4.539 30 20 DJED CCCCCCCCC[S@@](=O)Cc1nc(C)sc1C 1321016779 APZFGOBRMNRUNZ-LJQANCHMSA-N 301.521 4.759 30 20 DJED C[C@@H](CSc1ccccc1)c1nnc(-c2cccc(C#N)c2)o1 1331890217 MKPWNVFYLPJEPL-ZDUSSCGKSA-N 321.405 4.504 30 20 DJED CC[C@H](CC1CCCC1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1436850080 PBRKIKTXUKLWBO-YLJYHZDGSA-N 324.468 4.658 30 20 DJED C[C@@H](OC(=O)c1cc(Cl)ccc1Cl)c1ccc(C#N)cc1 1457197240 ZTAZNHMBBMTZDG-SNVBAGLBSA-N 320.175 4.783 30 20 DJED CO[C@@H](CSc1ccc(C#N)cc1Cl)Cc1ccccc1 1459003753 YMTQFYRZWUNECL-OAHLLOKOSA-N 317.841 4.561 30 20 DJED CC(C)(CN[C@H]1CCC[C@H](C#N)C1)c1ccc2ccccc2c1 1474651170 GMSVQOSVHYDBFG-JXFKEZNVSA-N 306.453 4.789 30 20 DJED CCCc1ccc(-c2ccc(NC(=O)NC[C@@H](C)C#N)cc2)cc1 1562401686 DZKUYXWVWDYVHT-HNNXBMFYSA-N 321.424 4.587 30 20 DJED CC(C)(C#N)CCN(CC1CC1)c1cccc(C(F)(F)F)c1 1643302812 HNTHMIZDWXZFRF-UHFFFAOYSA-N 310.363 4.862 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCCCc2ccccc21 1644799557 INYFVYKBPLGGEL-UHFFFAOYSA-N 304.437 4.831 30 20 DJED Cc1nc(N[C@H]2c3ccccc3CC[C@H]2C(C)C)ccc1C#N 1651725646 CUZBPGGJIUYQKC-FXAWDEMLSA-N 305.425 4.633 30 20 DJED Cc1cc(C)c(C(=O)O)cc1/C=C\C(=O)c1ccccc1Cl 1776115240 RGPXYCLOQOVTDG-FPLPWBNLSA-N 314.768 4.551 30 20 DJED C=CCCCCCN(C)C(=O)c1cnc(-c2ccsc2)s1 156820626 YAVPSRRQGPLNKI-UHFFFAOYSA-N 320.483 4.690 30 20 DJED C[C@@H](N[C@@H]1CCSc2c(F)cccc21)c1cccc(C#N)c1 178178642 LVFJAEGHQGJLHO-SJKOYZFVSA-N 312.413 4.585 30 20 DJED C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)c2ccccc12 191604685 ONIZYKSRSGFAGZ-CYBMUJFWSA-N 323.827 4.554 30 20 DJED CCn1nc(C)c(/C=C\C(=O)c2ccc3ccccc3c2)c1C 209343511 NOPYYVLBTWCFCS-QXMHVHEDSA-N 304.393 4.569 30 20 DJED COc1ccccc1/C=C\C(=O)c1ccc(N2CCCCC2)cc1 210428770 QBTMKVZAFFUDHC-KAMYIIQDSA-N 321.420 4.582 30 20 DJED C=CCNC(=O)Nc1ccc(NC/C(C)=C\c2ccccc2)cc1 236706804 WUNDQRPUFHTOJG-PEZBUJJGSA-N 321.424 4.510 30 20 DJED N#Cc1ccnc(NCc2cc(Cl)sc2Cl)c1Cl 312773354 UVXDHDIOHVOMSQ-UHFFFAOYSA-N 318.616 4.587 30 20 DJED CC[C@H](CC1CCCCC1)/C(O)=N/[C@H]1CCC(O)=NC12CCC2 328727403 DFCMUGKBEAJZJX-CVEARBPZSA-N 320.477 4.981 30 20 DJED CSc1ccccc1C[C@H](C)N[C@H](CCC#N)c1ccccc1 341340800 GTCXYPRQEOLNFD-QFBILLFUSA-N 324.493 4.974 30 20 DJED C=C(C)C(C)(C)C(=O)Nc1cccc(COC(C)(C)C)c1C 424710010 UDHQITLVGMEPEV-UHFFFAOYSA-N 303.446 4.851 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1sc(-c2ccccc2)nc1C 439366545 CRGMRXSDVATUEL-AWEZNQCLSA-N 315.442 4.595 30 20 DJED CC(C)c1ccc([C@@H](C)CC(=O)N(C)c2ccc(C#N)cc2)cc1 439926040 BWNKHDLBAKCDPY-INIZCTEOSA-N 320.436 4.838 30 20 DJED Cc1ccccc1[C@H](CC(F)(F)F)N[C@@H]1CCC[C@H](C#N)C1 446849718 PWTGCOZYCSZQQD-LZWOXQAQSA-N 310.363 4.661 30 20 DJED CC[C@@H](NC[C@@H]1SCCc2ccccc21)c1ccc(C#N)cc1 447582120 YAQSFBKQQABJGK-UXHICEINSA-N 322.477 4.630 30 20 DJED C=C(CC)CNC(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 454822748 WDBQHBIBUFXWOE-UHFFFAOYSA-N 313.401 4.553 30 20 DJED C=CCC(CC=C)C(=O)Nc1cccc(CCC(F)(F)F)c1 467371662 WVWUPVLIOUNTGD-UHFFFAOYSA-N 311.347 4.888 30 20 DJED C[C@H](N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(C#N)cc1 479537830 HKAMMLPPETVURG-IXDGSTSKSA-N 310.828 4.808 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc(OCC)cc1C)c1ccccc1 533899582 IGVBZUUIHQMCQD-INIZCTEOSA-N 309.409 4.692 30 20 DJED CCC(CC)n1ccc(CSCc2ccc(CC#N)cc2)n1 543151857 PJKKWMLOCFJKJI-UHFFFAOYSA-N 313.470 4.744 30 20 DJED N#Cc1cccc(C2(NCc3csc4ccccc34)CC2)c1 551226650 UOQNJKWSEBWLAK-UHFFFAOYSA-N 304.418 4.552 30 20 DJED CCN(Cc1sccc1Cl)[C@H](C)c1ccc(C#N)cc1 555015160 UEFHVYURUGGRHM-GFCCVEGCSA-N 304.846 4.856 30 20 DJED CCCCN(C(=O)c1ccc(C#N)c(Cl)c1)C1CCCCC1 558089873 YMVMCRMTFORZPV-UHFFFAOYSA-N 318.848 4.787 30 20 DJED N#CCCCCN[C@H](c1ccccc1F)[C@@H]1C[C@H]2CC[C@H]1C2 568302496 CRSUKGJPEIEFCT-MFWIUYSUSA-N 300.421 4.586 30 20 DJED CCC(C#N)(CC)C(=O)Nc1cc(C(F)F)ccc1Cl 599700631 PNUYLMYWCQTJCH-UHFFFAOYSA-N 300.736 4.546 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)C1CCC=CCC1 602097441 OCHMNKNWQGOKLU-CQSZACIVSA-N 314.454 4.766 30 20 DJED C=C(CNCc1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccccc1 604532654 KJGPEYOZIBOFSE-UHFFFAOYSA-N 310.397 4.521 30 20 DJED Cc1ccc(NN=C(CCC(C)C)c2ccc(Cl)cc2)nn1 729938098 OUZJRSPXALMOQH-UHFFFAOYSA-N 316.836 4.691 30 20 DJED Cc1cc(C)cc(-c2ccc(/C=C\C(=O)c3cnccn3)cc2)c1 741466668 AGWSXENLJWFNFV-YVMONPNESA-N 314.388 4.657 30 20 DJED N#Cc1csc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 748438672 BIHXDEHVJCWVEJ-DUXPYHPUSA-N 308.189 4.823 30 20 DJED CC(CC1CCC1)=NNc1ncc(C(F)(F)F)cc1Cl 758359986 SQVOPXKQWWNLJK-UHFFFAOYSA-N 305.731 4.732 30 20 DJED Cc1cc(/C=C\C(=O)c2ccc(OC(F)F)cc2)cnc1Cl 760262703 CETLNCKUWAMABO-UQCOIBPSSA-N 323.726 4.541 30 20 DJED O=C1/C(=C\c2cnc(C3CCC3)s2)Cc2c(Cl)cccc21 760264680 LKEBUAXURFTXIT-XFFZJAGNSA-N 315.825 4.886 30 20 DJED Cc1cc(/C=C\C(=O)c2ccc3cc(O)ccc3c2)cnc1Cl 760266559 WBSXTCVWRSFVGT-UQCOIBPSSA-N 323.779 4.798 30 20 DJED C=CC[C@H](N[C@H](C)c1sc(C(C)C)nc1C)c1ccncc1 766021544 UMYBDRJAALWFMQ-CJNGLKHVSA-N 315.486 4.938 30 20 DJED CCCOc1c(Cl)cc(/C=C\C(=O)c2ccco2)cc1OC 769772368 YJQLRBPCEIOOAN-SREVYHEPSA-N 320.772 4.627 30 20 DJED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccccc1C(C)(C)C 780177690 QQBRLDYBAFDOOA-AWEZNQCLSA-N 322.408 4.527 30 20 DJED CC(=NNc1ccc(C#N)c(Cl)c1)c1ccccc1Cl 783876658 DCRLSZVJGVEHPI-UHFFFAOYSA-N 304.180 4.701 30 20 DJED O=C1/C(=C/c2ccc(C(F)F)cc2)COc2c(F)ccc(F)c21 794946940 ZHCRKOVCRYPIOK-YRNVUSSQSA-N 322.257 4.561 30 20 DJED CC(CCc1ccc(F)cc1)=NNc1nc2ccccc2s1 917530331 FDIMSKIQMZTVLA-UHFFFAOYSA-N 313.401 4.856 30 20 DJED Cc1ccccc1C=NOCc1csc(Cc2ccccc2)n1 918733265 MJIRLKGKINKTHW-UHFFFAOYSA-N 322.433 4.593 30 20 DJED CN(C(=O)c1ccccc1-c1ccccc1C#N)c1ccsc1 1278043960 MWBHNKUJSYXLPH-UHFFFAOYSA-N 318.401 4.563 30 20 DJED C[C@H]1CCN(C(=O)[C@H](CC#N)c2ccccc2)CC12CCCCC2 1296746913 XHKCLNNMDRQVEV-PKOBYXMFSA-N 324.468 4.503 30 20 DJED CC(C)(C)c1cn(Cc2ccc(-c3ccccc3C#N)cc2)cn1 1307382200 WWMLGHUJAVGTHO-UHFFFAOYSA-N 315.420 4.768 30 20 DJED C[C@@H](NCCn1ccc2cc(Cl)ccc21)c1cccc(C#N)c1 1308065819 IUXUYTRNLDRGRV-CQSZACIVSA-N 323.827 4.517 30 20 DJED CC(C)(C)c1ccc(NC(=O)[C@H](CC#N)c2ccccc2)cc1 1354920949 ZKUBWPGJTCWDQT-GOSISDBHSA-N 306.409 4.620 30 20 DJED Cc1ccccc1[C@H](Nc1cncc(C#N)n1)[C@@H]1CCC[C@@H](C)C1 1458173993 VNQOWFLWEQLQOY-AKCHCHLHSA-N 320.440 4.636 30 20 DJED CC(C)(C)C[C@@H](NC(=O)c1cc(C#N)cs1)c1ccccc1 1515232871 IAVPLXZIFADXCM-OAHLLOKOSA-N 312.438 4.527 30 20 DJED CCCCC1CCC(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 1520212810 ZEKSIGJSBBOMNB-LAGYLCCXSA-N 324.468 4.658 30 20 DJED CCC(CC)[C@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1523649179 PKTAHNMTEWUMTH-NEPJUHHUSA-N 318.486 4.755 30 20 DJED C[C@H]1C[C@H](CC(=O)OCc2ccc(CC#N)cc2)CC(C)(C)C1 1536935353 OCZHVVLJJRLIMK-MAUKXSAKSA-N 313.441 4.648 30 20 DJED Cc1c(C(=O)O[C@@H]2CCC[C@H](C#N)C2)sc2ccc(F)cc12 1583559264 ITVHQYSMADRMMK-WCQYABFASA-N 317.385 4.588 30 20 DJED CO[C@@H](CSc1ccc(C#N)c(C(F)(F)F)c1)CC(C)C 1613668076 VUVWVNHTUCMOJA-GFCCVEGCSA-N 317.376 4.730 30 20 DJED CC(C)Sc1cccc(Cl)c1CN(C)CC(C)(C)C#N 1621353227 KPJIRDMTXWVPIP-UHFFFAOYSA-N 310.894 4.822 30 20 DJED CC[C@H]1CCCC[C@H]1CNC(=O)Nc1ccc(C#N)cc1Cl 1623230173 FZRGRUIPMXHKRF-KBPBESRZSA-N 319.836 4.550 30 20 DJED CCCN(CC/C=C/c1ccccc1)Cc1ccc(C#N)cc1 1644334418 UGPALXFWMQCLIH-UXBLZVDNSA-N 304.437 4.874 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CC[C@H](Cc2ccccc2)C1 1652372438 ULRSWVPKIPFLDR-ZNLUXHQJSA-N 316.448 4.547 30 20 DJED CN(Cc1ccc(C#N)cc1OC(F)F)C1CCCCCCC1 1652433141 VLRWUSZBNNQWBK-UHFFFAOYSA-N 322.399 4.704 30 20 DJED CC(C)c1cccc2c1N(Cc1ccc(OCC#N)cc1)CCC2 1654748864 OHOJXWAOGLPYED-UHFFFAOYSA-N 320.436 4.665 30 20 DJED C[C@@H]1CC[C@H](c2ccccc2)N(Cc2ccc(CC#N)cc2)C1 1658597742 PABKPRCETSZLAG-DYESRHJHSA-N 304.437 4.726 30 20 DJED N#Cc1ccc(CN2Cc3ccccc3-c3ccccc32)c(F)c1 1660149278 QSYKNHCIBBZMFA-UHFFFAOYSA-N 314.363 4.885 30 20 DJED N#CCc1cccc(NC(=O)Nc2cccc3ccsc23)c1 1671984758 XIRGFLKDUWHADO-UHFFFAOYSA-N 307.378 4.611 30 20 DJED Cc1cscc1NC(=O)Nc1scc(C(C)(C)C)c1C#N 1677860296 IRRAVDGOPOOQTF-UHFFFAOYSA-N 319.455 4.931 30 20 DJED CC(C)c1cccc(C(=O)/C=C\c2ccc(/C=C/C(=O)O)cc2)c1 1776375336 GVVDSRXTHGMKPP-PJABCKPXSA-N 320.388 4.804 30 20 DJED Cc1cccc(C(C)C)c1NC(=O)N(C)Cc1ccc(C#N)cc1 43281785 FISOJPQTUBBOSC-UHFFFAOYSA-N 321.424 4.654 30 20 DJED N#CC1(C(=O)Nc2ccc3c(c2)oc2ccccc23)CCCC1 72008838 QASVZEZJWAONTI-UHFFFAOYSA-N 304.349 4.608 30 20 DJED CC(C)(C#N)CCCSc1nnc(-c2ccc(Cl)cc2)[nH]1 177194273 QCLGWDMQHXQYSD-UHFFFAOYSA-N 320.849 4.547 30 20 DJED COc1ccccc1[C@@H](CC(C)C)NCCCC(C)(C)C#N 181701325 CJKHMHHEXHOMFM-QGZVFWFLSA-N 302.462 4.702 30 20 DJED C=CCOc1ccc(CN[C@@H](C)c2cccc(OCC)c2)cc1 236979531 JRQLPDSNLNDYCC-INIZCTEOSA-N 311.425 4.501 30 20 DJED C[C@H](C#N)Oc1ccc(CN[C@@H](c2ccccc2)C(C)(C)C)cc1 237581805 HAVJTBRPJSVVBL-UZLBHIALSA-N 322.452 4.854 30 20 DJED Cc1oc(-c2cccs2)nc1CSCCC(C)(C)C#N 276631352 QDWINJBIAAESQS-UHFFFAOYSA-N 306.456 4.885 30 20 DJED N#Cc1ccc2nc(NCc3ccc(F)c(Cl)c3)ccc2c1 301989736 XCXVYRUJJWWLHK-UHFFFAOYSA-N 311.747 4.511 30 20 DJED Cc1cc(OCCCCC(C)(C)C#N)c(Cl)cc1[N+](=O)[O-] 314925097 KZFQIYPIMYXSSL-UHFFFAOYSA-N 310.781 4.656 30 20 DJED CC1(C)CCC[C@H](C(O)=Nc2cccc([C@@H]3CN=C(O)C3)c2)C1 328875921 SGEQYJWRSHIFCS-GJZGRUSLSA-N 314.429 4.935 30 20 DJED N#CCCN(Cc1ccc(C2CCCC2)cc1)Cc1ccccn1 343843433 FXYNBSOXUAQQOJ-UHFFFAOYSA-N 319.452 4.655 30 20 DJED N#CCc1ccc(CNc2ccc(F)c(C(F)(F)F)c2)cc1 398966365 RJQPEYWHUNKDLA-UHFFFAOYSA-N 308.278 4.523 30 20 DJED CCn1c(-c2ccc(F)c(C#N)c2Cl)nc2ccc(F)cc21 430897625 OYJBLYDPAKVLGX-UHFFFAOYSA-N 317.726 4.526 30 20 DJED C=CCC[C@H](NC(=O)N(C)CCc1ccccc1)c1ccccc1 435094082 JYDKDEAPPLTIFV-FQEVSTJZSA-N 322.452 4.578 30 20 DJED CC(C)[C@@H](c1ccc(F)cc1)N(C)Cc1cc(C#N)cs1 435295802 CLGJQZFCEFAZNS-KRWDZBQOSA-N 302.418 4.588 30 20 DJED CC[C@H](c1ccccc1)N(CC(C)C)C(=O)c1cc(C#N)oc1C 435462803 DPBXGYHZOSOQIP-LJQANCHMSA-N 324.424 4.709 30 20 DJED Cc1oc(C#N)cc1C(=O)N[C@@H](CC1CCCC1)c1ccccc1 436148566 GBSXAWUURGVMNI-IBGZPJMESA-N 322.408 4.511 30 20 DJED CCCCC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 437480059 KLSBAQGPIMXPIS-UHFFFAOYSA-N 312.344 4.618 30 20 DJED CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 437576056 FEOOYWZNWKQIBP-BLLLJJGKSA-N 319.836 4.644 30 20 DJED Cc1ccc([C@@H]2CCC[C@@H]2N(C)Cc2cccc(C#N)c2)cc1 441329173 CANJHFKJQGAVSH-SFTDATJTSA-N 304.437 4.635 30 20 DJED CC(C)[C@H](NC1CCC(C)(C#N)CC1)c1ccc(F)cc1F 449193375 SEDKLKQETVNJCF-GMXGEUMGSA-N 306.400 4.724 30 20 DJED CC[C@@H]1CC[C@H](C)N(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 454434165 GGSZNZLWBWKRBF-LSDHHAIUSA-N 313.445 4.530 30 20 DJED CCCCC[C@H]1CCCN1C(=O)C[C@H](CC#N)c1ccccc1 476386991 QKVQHVLNDVTNCJ-OALUTQOASA-N 312.457 4.645 30 20 DJED C=CCC(CC=C)C(=O)N1CC=C(c2cccc(Cl)c2)CC1 477360034 FCRAYFSWAHCUNG-UHFFFAOYSA-N 315.844 4.724 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1cc(F)ccc1C 485031699 HNQKOCLHARBJJG-UHFFFAOYSA-N 304.409 4.734 30 20 DJED COc1cc(CNc2ccc(Cl)c(C#N)c2)ccc1SC 508638801 LCEQBCLDIMOSJU-UHFFFAOYSA-N 318.829 4.554 30 20 DJED CCC(CC)[C@H](C)C(=O)Nc1ccccc1SC[C@H](C)C#N 535616582 MAQVUSRMVBEOFH-KGLIPLIRSA-N 318.486 4.949 30 20 DJED C=C(C)[C@H](CC(=O)Nc1cccc(-c2cccs2)c1)OCC 535882479 ILKRBFKKVZYOAO-INIZCTEOSA-N 315.438 4.725 30 20 DJED C=CCCC[C@@H](C)NC(=O)N(C)[C@H](C)c1ccccc1Cl 537187159 VUQHRZIEYSQHTF-ZIAGYGMSSA-N 308.853 4.787 30 20 DJED CC1(C)CC(C(=O)Nc2sc(-c3ccccc3)cc2C#N)C1 564072508 UZFKMUFGKYOIIY-UHFFFAOYSA-N 310.422 4.661 30 20 DJED C[C@H](N[C@H](C)Cc1ccsc1)c1ccc(C#N)cc1Cl 570235628 LIOBDEUFTHICLX-NEPJUHHUSA-N 304.846 4.555 30 20 DJED CCc1cccc2c1OCC[C@H]2N[C@H](CC)c1ccc(C#N)cc1 584569789 UHZBVOUTISORQQ-WOJBJXKFSA-N 320.436 4.685 30 20 DJED CCC(C#N)(CC)c1nc(-c2ccc(SC)cc2Cl)no1 599140744 GAQIBXDZKOYHMQ-UHFFFAOYSA-N 321.833 4.693 30 20 DJED Cc1cccc(C(=O)/C=C\c2cccc(Br)c2)c1 606208304 QQUTZUSWLADAOK-HJWRWDBZSA-N 301.183 4.654 30 20 DJED Cc1ccccc1[C@@H](C)CC(=O)Nc1sc2c(c1C#N)CCC2 609692994 ORCLMTIDHDAURV-ZDUSSCGKSA-N 324.449 4.549 30 20 DJED COCc1ccc(SCc2ccccc2C(C)(C)C#N)cc1 610863178 VTRYRNMWEUQENU-UHFFFAOYSA-N 311.450 4.926 30 20 DJED N#Cc1ccc(CNCc2cccc3ccccc23)cc1Cl 619748484 GJBLSEGZRDRKBL-UHFFFAOYSA-N 306.796 4.655 30 20 DJED C=C(C)CN(CC)C(=O)Nc1cccc(COc2ccccc2)c1 729560621 AQFAMDGSVOJQJE-UHFFFAOYSA-N 324.424 4.696 30 20 DJED C[C@H](Nc1ncc(C#N)cc1Cl)c1csc2ccccc12 729986296 KTPNPTRYNQNHKZ-JTQLQIEISA-N 313.813 4.994 30 20 DJED CCc1ccc(C(=O)/C=C\c2cc(Cl)ccc2[N+](=O)[O-])s1 739424907 MNJRHQZMYIUAIR-CLTKARDFSA-N 321.785 4.768 30 20 DJED O=C(/C=C/c1cnc2ccccn12)c1cccc(-c2ccccc2)c1 740765079 OXZWIJRRIUSUDH-OUKQBFOZSA-N 324.383 4.897 30 20 DJED CCc1c(C(=O)/C=C/c2cc(C#N)cs2)oc2ccccc12 748441027 UXNROEXORDOJPE-BQYQJAHWSA-N 307.374 4.824 30 20 DJED O=C(/C=C/c1cc(Br)ccc1F)c1ccsc1 749105516 UNTATBKVZZRZJD-DAFODLJHSA-N 311.175 4.546 30 20 DJED CC(C)C[C@@](C)(C#N)NC(=O)c1sc2ccccc2c1Cl 749373878 ONNYMFYKSUZEPT-INIZCTEOSA-N 320.845 4.613 30 20 DJED CC[C@@H](C#N)OC(=O)c1ccc(-c2ccc(Cl)cc2)s1 753424147 WFVLRAXQQRUMFZ-LBPRGKRZSA-N 305.786 4.527 30 20 DJED CCCCCCCC(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 754568737 OIPZMTPUNNMCKY-ZWKOTPCHSA-N 321.436 4.523 30 20 DJED CC(C)(C)c1ncc(/C=C/C(=O)c2cc(F)cc(F)c2)s1 755707585 ZXXPNECNXIDLJQ-SNAWJCMRSA-N 307.365 4.615 30 20 DJED CCCCCCCCCCCC(=O)N1CC[C@@]2(CCOC2)C1 757011989 ACZRBDZWONDPAI-LJQANCHMSA-N 309.494 4.546 30 20 DJED C=CCCCc1nc(-c2ccc(SC(C)(C)C)cn2)no1 762392035 YOQGQDHFOSXBPD-UHFFFAOYSA-N 303.431 4.531 30 20 DJED C=C(Cl)COc1ccc([C@@H](C)NCc2ccccc2F)cc1 764562967 HWQFQZLFQOLWFL-CQSZACIVSA-N 319.807 4.808 30 20 DJED Cc1ccc(-c2ncc(/C=C/C(=O)c3occc3C)s2)cc1 769784408 UODIRTKAYFCWMW-BQYQJAHWSA-N 309.390 4.916 30 20 DJED CCCCCCCCNC(=O)c1cc(C)oc1C(F)(F)F 770017410 HIXFINRRTQJABA-UHFFFAOYSA-N 305.340 4.697 30 20 DJED CC[C@@H](N[C@@H](C)c1nc2ccccc2s1)c1ccc(C#N)cc1 774193102 SMISZFLGBBIMPP-XJKSGUPXSA-N 321.449 4.970 30 20 DJED C=CCC[C@H](CCC)Nc1ccc(OCc2nc(C)no2)cc1 777690986 XNIBUKHPTYVUMV-HNNXBMFYSA-N 315.417 4.504 30 20 DJED CC(C)Oc1ccc(Cl)cc1C(=O)OCCCC(C)(C)C#N 783139975 JLZJIOVAMLLRPZ-UHFFFAOYSA-N 323.820 4.614 30 20 DJED COc1ccc(C(=O)/C=C\c2cc(C)c3ncccc3c2)c(F)c1 783695707 IFERAQOJMMBVAN-YVMONPNESA-N 321.351 4.587 30 20 DJED CCC(=NNc1cccc(Cl)n1)c1ccc(Cl)s1 793180824 AXCGFNKKDKVSFJ-UHFFFAOYSA-N 300.214 4.676 30 20 DJED Fc1c(Cl)cccc1NN=C1CCC[C@@H]1c1ccccn1 794903874 RUOIRAWZZZENKE-LLVKDONJSA-N 303.768 4.610 30 20 DJED CCCOc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)cc1C 858309260 KFLFRMHEKAFGNK-MRXNPFEDSA-N 324.424 4.687 30 20 DJED C[C@H](C(=O)N(O)Cc1cccc2ccccc12)c1cccc(F)c1 901371023 KTBXKCNJSVVMRH-AWEZNQCLSA-N 323.367 4.500 30 20 DJED CC(C)Cc1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1 1126637925 PHPFDNMYBWJRGV-HNNXBMFYSA-N 307.393 4.675 30 20 DJED CCOc1cccc([C@@H](CC)OC(=O)c2cc(C#N)ccc2C)c1 1126796562 ZZVDVBUKTNYKAD-LJQANCHMSA-N 323.392 4.574 30 20 DJED CCNc1ccc(C#N)cc1NC(=O)CCCC1CCCCC1 1150797114 HODBMWFEIJGPBZ-UHFFFAOYSA-N 313.445 4.679 30 20 DJED CC[C@H](Sc1nc2c(c(C)c1C#N)CCC2)c1ccccc1 1165282606 SSEWCAOARLHXPI-SFHVURJKSA-N 308.450 4.994 30 20 DJED N#Cc1cc(Cl)ccc1CSc1cccc(F)c1C#N 1189432840 KXUJJCHRIPCDMN-UHFFFAOYSA-N 302.761 4.515 30 20 DJED N#Cc1ccc(C2CCN(Cc3sccc3Cl)CC2)cc1 1198210093 DNJUAFVRKCMRFE-UHFFFAOYSA-N 316.857 4.653 30 20 DJED CCC[C@H](C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1 1275465184 UATYEMXBBBEGFM-XYPHTWIQSA-N 319.832 4.849 30 20 DJED Cc1ccc(CSc2ccccc2C#N)c(Br)c1 1307303329 UFXQDYWWEHCGGE-UHFFFAOYSA-N 318.239 4.922 30 20 DJED N#C[C@@H](CCc1ccccc1)SCc1c(F)cccc1F 1307352421 KKDLPKLYOLCVIE-CQSZACIVSA-N 303.377 4.723 30 20 DJED Cc1ccc(NN=Cc2cnc(-c3ccccc3)nc2)cc1Cl 1317902014 YWIVMPPLKXYSRT-UHFFFAOYSA-N 322.799 4.551 30 20 DJED CC(C)c1nc(C=NOc2ccccc2C(F)(F)F)cs1 1322983985 DYUUXEQMEBRVTQ-UHFFFAOYSA-N 314.332 4.698 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)C1CCC(C)(C)CC1 1354422593 GJWKKHGPHSKATD-UHFFFAOYSA-N 312.457 4.513 30 20 DJED CC[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(C#N)cc1F 1461934972 CVLWURHNTJWSQX-CTNGQTDRSA-N 322.427 4.856 30 20 DJED N#Cc1cccc(N[C@@H](c2ccc(Cl)cc2)C2CCCC2)n1 1472690544 ZTAUXZOWRKBIBT-GOSISDBHSA-N 311.816 4.950 30 20 DJED Cc1cc(S[C@H](C)C(=O)c2ccc(Cl)cc2)ccc1C#N 1473049374 WTQWCGNGPRUANY-GFCCVEGCSA-N 315.825 4.884 30 20 DJED CCCCN(C(=O)c1cc(C#N)ccc1F)[C@@H]1CCC[C@@H](C)C1 1527352106 RMKJSGJWRJBGFS-GDBMZVCRSA-N 316.420 4.518 30 20 DJED CCCc1sc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1CC 1528080899 KRECZVWQTUFFAF-OCCSQVGLSA-N 305.443 4.502 30 20 DJED Cc1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c2ccccc12 1532993816 QDCASJWLFULJMT-HNNXBMFYSA-N 314.388 4.511 30 20 DJED Cc1c(Cl)cnc(NCc2oc3ccccc3c2C)c1C#N 1559105841 DNZKMWTWJNDOEH-UHFFFAOYSA-N 311.772 4.582 30 20 DJED Cc1ccc(C#N)c(NCC2(c3cccs3)CCCCC2)n1 1559112593 DUZPADZMXDPIRL-UHFFFAOYSA-N 311.454 4.637 30 20 DJED CC(C)(C#N)CCCN1CCC(Cc2cccc(F)c2F)CC1 1559903602 FJROXNWXUKBSCD-UHFFFAOYSA-N 320.427 4.549 30 20 DJED CCC1(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)CCC1 1584028783 HVGAOVARUQJSKH-VXGBXAGGSA-N 316.470 4.824 30 20 DJED Cc1cc(C#N)cc(NC(=O)C2(c3ccccc3C)CCCC2)c1 1597280619 FAPXMGFOAHGAFA-UHFFFAOYSA-N 318.420 4.626 30 20 DJED CCC(C)(C)C1CCC(Nc2c(C#N)nnc3ccccc23)CC1 1611774191 XCAQHLWLKQHPEO-UHFFFAOYSA-N 322.456 4.908 30 20 DJED N#CC1(CSc2ncc(-c3ccc(Cl)cc3)o2)CCC1 1640820113 SVNMBIHTBASBDZ-UHFFFAOYSA-N 304.802 4.781 30 20 DJED Cc1ccc([C@@H]2CCC[C@@H]2N(C)Cc2ccc(CC#N)cc2)cc1 1641871638 NSQNPCCACLBRMH-VXKWHMMOSA-N 318.464 4.829 30 20 DJED CN(Cc1ccc(C#N)s1)[C@H]1CCCC[C@H]1c1ccccc1 1646189932 JKMSILRYZQLUPA-OALUTQOASA-N 310.466 4.778 30 20 DJED CCCN(c1cc(C)c(C#N)cn1)[C@@H](C)c1cc2ccccc2o1 1655024331 BOICMIHWAPOLOH-HNNXBMFYSA-N 319.408 4.986 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1Nc1ccc2[nH]ccc2c1 1655107551 WRKCDGRRIGUXBP-UHFFFAOYSA-N 318.767 4.985 30 20 DJED C[C@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)C(C)(C)C1 1655461228 YGOOBPWRLNVELC-MRXNPFEDSA-N 304.437 4.846 30 20 DJED CCCCc1ccc(C(=O)/C=C/c2ccc(/C=C/C(=O)O)o2)cc1 1776806045 XXNIOAZOVNOWIS-PHEQNACWSA-N 324.376 4.616 30 20 DJED Cc1sc(NC(=O)c2ccc(C(F)(F)F)cc2)c(C#N)c1C 14595976 TUSHTUSOUZZKKX-UHFFFAOYSA-N 324.327 4.508 30 20 DJED C[C@@H]1CCC[C@H](NC(=O)c2ccccc2-c2ccccc2C#N)C1 33183972 PNMMQQXRESLLLX-WBVHZDCISA-N 318.420 4.534 30 20 DJED C=CCN(CCc1ccccc1)C(=O)Nc1c(C)cc(C)cc1C 62368882 HZJKUJREQMCLGR-UHFFFAOYSA-N 322.452 4.874 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccccc1S[C@H](C)CC#N 66955024 ULCJKUVMUMWSEQ-CQSZACIVSA-N 317.458 4.511 30 20 DJED Cc1ccc(C[C@H](C#N)Sc2ccnc3ccccc23)cc1 68054164 OKVZYQGIYSLAQP-MRXNPFEDSA-N 304.418 4.770 30 20 DJED Cc1nnc(SCCCC(C)(C)C#N)n1[C@@H]1CCC[C@@H](C)C1 127586644 CBLFMJWXZGPEQT-UKRRQHHQSA-N 320.506 4.760 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1 178480396 IONFAUJDTDXGOU-UHFFFAOYSA-N 316.763 4.533 30 20 DJED O=C(/C=C\c1csc(-c2cccs2)n1)c1cccc(F)c1 209742319 COVKULRHWGAVMU-SREVYHEPSA-N 315.394 4.907 30 20 DJED O=C(/C=C\c1ccccc1F)c1cc(Br)cs1 210591418 XINWHMGGFLGQFX-WAYWQWQTSA-N 311.175 4.546 30 20 DJED Cc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)o1 264500109 LBUYASLBTULNNE-LBPRGKRZSA-N 314.410 4.543 30 20 DJED Cc1cc(N[C@@H](C)c2ccc(C#N)cc2)c(Cl)cc1[N+](=O)[O-] 301460884 ZCZBODGJYHGZIG-NSHDSACASA-N 315.760 4.601 30 20 DJED C=CCOc1cccc(NC(=O)N[C@@H](C)c2cccc(C)c2C)c1 303678857 JQEJYTIBKQJJIS-INIZCTEOSA-N 324.424 4.751 30 20 DJED CC[C@@H]1CCCC[C@@H]1/C(O)=N/[C@@H]1CCC(O)=N[C@H]1C(C)(C)C 329284433 OLMSMOAVPXRTOQ-HLPPOEQASA-N 308.466 4.693 30 20 DJED Cc1noc([C@H](C)/N=C(/O)C2(C3CCCCC3)CCCCC2)n1 329906106 RWLFVOYYJUXKTN-ZDUSSCGKSA-N 319.449 4.926 30 20 DJED CC(C)c1ccc(C(=O)N(C2CC2)C2(C#N)CCC2)cc1Cl 341626635 WUHPOZUMCGKQNB-UHFFFAOYSA-N 316.832 4.514 30 20 DJED CCC(CC)c1noc(-c2cn(CCCC#N)c3ccccc23)n1 346404875 RBROIGCEEGSKLT-UHFFFAOYSA-N 322.412 4.899 30 20 DJED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cc3ccccc3o2)s1 430606092 VUIDDJJNNCPVQF-LBPRGKRZSA-N 324.405 4.677 30 20 DJED C[C@H](SCc1ccc(F)cc1C#N)c1ccccc1[N+](=O)[O-] 437265567 BXYZYYICMCBKDX-NSHDSACASA-N 316.357 4.600 30 20 DJED N#CCC[C@@H](NC(=O)c1ccc2sccc2c1)c1ccccc1 439671603 HFTIYMONYBADKB-QGZVFWFLSA-N 320.417 4.676 30 20 DJED CC#CCCCC(=O)Nc1cc(C)ccc1OCc1ccccc1 442198839 LRSNRGRCEKZNAV-UHFFFAOYSA-N 321.420 4.706 30 20 DJED N#CCc1ccc(NC(=O)Nc2cccc3ccsc23)cc1 443872857 DEVDDJKUCPAHSK-UHFFFAOYSA-N 307.378 4.611 30 20 DJED CC(C)[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc(C#N)s1 462553743 QJSSXUKKINGFII-PKOBYXMFSA-N 310.466 4.669 30 20 DJED C=CCCC[C@H](C)NC(=O)Nc1c(C)noc1-c1ccccc1 481455659 WOZUMTVIDQBYBP-ZDUSSCGKSA-N 313.401 4.516 30 20 DJED N#Cc1c(F)cccc1NCc1ccccc1OC1CCCC1 515496034 NVHSWPUSCLLWNX-UHFFFAOYSA-N 310.372 4.631 30 20 DJED CCc1ccccc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 532717644 CZDLJSHQGBKBMN-GFCCVEGCSA-N 324.449 4.559 30 20 DJED COc1ccc(CSCc2csc(C(C)C)n2)cc1C#N 533009117 PKNVSWLPEVLIGB-UHFFFAOYSA-N 318.467 4.580 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)Nc1ccccc1CC#N 558190562 QTTHNMROVCMXET-RDJZCZTQSA-N 318.420 4.681 30 20 DJED C=CC[C@H](C)NC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 605200772 OYFOMNIZIVECBD-LBPRGKRZSA-N 315.417 4.503 30 20 DJED N#Cc1cccc(Oc2ccc(NC(=O)c3ccsc3)cc2)c1 609427462 ZYXCQINRXPZKRT-UHFFFAOYSA-N 320.373 4.664 30 20 DJED O=C1/C(=C\c2cnc(-c3ccccc3)s2)Oc2ccc(F)cc21 727267238 QRGNUIUANFSZGD-CXUHLZMHSA-N 323.348 4.565 30 20 DJED CCC/C=C\C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 729375297 CVILBJRJEJNYBZ-YWEYNIOJSA-N 306.365 4.645 30 20 DJED CC(C)(C)c1ncc(/C=C\C(=O)c2c[nH]c3ccccc23)s1 736433659 IMBHNHNRABAQEC-HJWRWDBZSA-N 310.422 4.818 30 20 DJED CC(=NNc1ccc(Cl)nc1)c1cc2cc(Cl)ccc2o1 743449981 IXHHMOUSUVMOTK-UHFFFAOYSA-N 320.179 4.971 30 20 DJED CCCCCCCCCC(=O)N[C@@H](C)c1cccc(C#N)c1 743777350 UBVMSOFQISMUHO-INIZCTEOSA-N 300.446 4.876 30 20 DJED C=C(Cl)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC 749750854 GVTOEXJEHFPHAH-LBPRGKRZSA-N 307.850 4.761 30 20 DJED CC(=NNc1nc(C(F)(F)F)cs1)[C@@H](C)c1ccccc1 755903267 INBSYXFSFKBSQG-SECBINFHSA-N 313.348 4.753 30 20 DJED CC[C@H](C)c1ccc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc1 756220788 GSDBEXVJZIZQBZ-BBRMVZONSA-N 317.392 4.566 30 20 DJED C#CCCCC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1 758516736 WTWIJVNFGSSMQW-QGZVFWFLSA-N 305.421 4.677 30 20 DJED COc1ccsc1/C=C\C(=O)c1ccc2cc(O)ccc2c1 764443733 XCWLMGIXBLUXKY-SREVYHEPSA-N 310.374 4.512 30 20 DJED CC1CC(C#N)(C(=O)OCc2sc3ccccc3c2Cl)C1 767430400 HZQASBBEERUTSF-UHFFFAOYSA-N 319.813 4.538 30 20 DJED C[C@H](C(=O)OCCC(C)(C)C#N)c1c(Cl)cccc1Cl 776381003 BJAGYIUDKYSKKB-JTQLQIEISA-N 314.212 4.580 30 20 DJED O=C(/C=C\c1ccc(F)nc1)c1ccc(-c2ccccc2)cc1 777464408 ULCBFSSWRWBOJF-SDQBBNPISA-N 303.336 4.784 30 20 DJED CCOc1c(Cl)cccc1/C=C\C(=O)c1ccc(Cl)nc1 782348565 SKISAWVCLOYPEL-VURMDHGXSA-N 322.191 4.683 30 20 DJED Cc1cc(/C=C2\Cc3c(F)ccc(F)c3C2=O)cc2cccnc12 783709699 UQEUJEBUDYFJPP-NTEUORMPSA-N 321.326 4.644 30 20 DJED Cc1ccc(-c2nnc(SCC3(C#N)CCCC3)o2)c(C)c1 806588400 MCELEEZHTPHOBH-UHFFFAOYSA-N 313.426 4.530 30 20 DJED C#C[C@@H](NCc1ncc(C(C)(C)C)s1)c1ccc(Cl)cc1 811517563 VTWIYVZIKYMHLY-CQSZACIVSA-N 318.873 4.558 30 20 DJED O=C(/C=C/c1cscc1C(F)(F)F)c1ccc(F)cc1F 811686492 CTLXKNAUAMFZBY-DAFODLJHSA-N 318.266 4.941 30 20 DJED CCc1cccc(Cl)c1C=NNc1ccc(F)c(F)c1F 814945838 SOTJAYBNCNOBJN-UHFFFAOYSA-N 312.722 4.766 30 20 DJED N#CCCCCCC(=O)O[C@H]1C[C@@H](c2ccccc2Cl)C1 835969434 XBRJLPRJJWHELG-OKILXGFUSA-N 305.805 4.603 30 20 DJED CC(C)COc1ccc(NCc2ccc(C#N)cc2)cc1Cl 914786405 AIGBODKMPLTATJ-UHFFFAOYSA-N 314.816 4.859 30 20 DJED CC1(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCCC1 915180235 MHWLLAHXAJZPLK-LJQANCHMSA-N 318.420 4.861 30 20 DJED O=C(/C=C/c1ccsc1)c1ccc(N2CCCCC2)c(F)c1 916128831 FLHBNDUVHVAUBR-QPJJXVBHSA-N 315.413 4.774 30 20 DJED CC(C)(C#N)CCN(CCc1cccc(F)c1)C1CCCC1 1168184129 KLNBGKSGGOGPJU-UHFFFAOYSA-N 302.437 4.553 30 20 DJED CCN(Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCCC[C@H]1C 1193413418 NJEDSUMLXVIHIG-CZUORRHYSA-N 322.399 4.560 30 20 DJED CC(C)CCN(CCC(C)C)C(=O)Nc1ccc(C#N)c(F)c1 1219030665 HNTMRXWVQQYRGM-UHFFFAOYSA-N 319.424 4.623 30 20 DJED C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(-c3ccccc3)s2)C1 1322945323 XCXRBZPBEGWSDX-KUHUBIRLSA-N 324.449 4.617 30 20 DJED CC(C)(C)C[C@@H](NC(=O)c1cccc(C#N)c1)c1ccc(F)cc1 1355519664 XSUWFFPAUIHEEM-GOSISDBHSA-N 324.399 4.605 30 20 DJED N#Cc1ccc(C(=O)N[C@@H](c2ccccc2)C2CCCCC2)s1 1533743922 RPCSAWUOIOREOB-SFHVURJKSA-N 324.449 4.671 30 20 DJED N#C[C@@H](Sc1nc2ccccc2n1-c1ccc(F)cc1)C1CC1 1559365752 VVKAYDAUYXTXPT-QGZVFWFLSA-N 323.396 4.559 30 20 DJED Cc1ccc(C#N)cc1C(=O)O[C@@H](C)c1cccc(OC(C)C)c1 1585056529 OYEYDSWPLNIVBQ-HNNXBMFYSA-N 323.392 4.572 30 20 DJED Cc1c(Cl)ccc2c1N(Cc1ccc(F)cc1C#N)CCC2 1615976439 XAZBRYOLIBWWFD-UHFFFAOYSA-N 314.791 4.612 30 20 DJED N#Cc1cccc(C#N)c1N1C[C@@H](c2ccccc2)c2ccccc21 1642645597 MVLAMGDCQLDSDO-FQEVSTJZSA-N 321.383 4.714 30 20 DJED CC(C)(C)[C@H]1Cc2ccccc2N(Cc2ccc(F)cc2C#N)C1 1644144527 SDDCOXGSEZSWMP-SFHVURJKSA-N 322.427 4.922 30 20 DJED COc1ccccc1[C@H]1CC[C@H](C)CN1Cc1cccc(C#N)c1 1645588707 DYVGRAMMMXCCAS-OXJNMPFZSA-N 320.436 4.540 30 20 DJED CN(c1ccccc1)c1ccc(CNc2cccc(C#N)c2)cc1 1650844229 JSFDJJALOJXZHU-UHFFFAOYSA-N 313.404 4.938 30 20 DJED C[C@@H]1CCN(Cc2ccc(F)cc2C#N)c2ccccc2S1 1652729836 WZCAKLNZCNAWKJ-CYBMUJFWSA-N 312.413 4.588 30 20 DJED N#Cc1cccc(CSc2nc3ccc(F)cc3s2)c1F 1653077181 KTFHGPNCXHESDX-UHFFFAOYSA-N 318.373 4.738 30 20 DJED N#CCC1(CN2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 1654425233 OUXWNGLATBLBBD-OAHLLOKOSA-N 322.374 4.579 30 20 DJED COc1ccc(Cl)cc1CSCc1cccc(C#N)c1 61715122 YBDMERGWSSCBGG-UHFFFAOYSA-N 303.814 4.654 30 20 DJED CCCCCCC(=O)Nc1ccccc1S[C@H](C)CC#N 108981701 OKRWSOAWPMQSQN-CQSZACIVSA-N 304.459 4.990 30 20 DJED Cc1cccc([C@@H](C)C(=O)Nc2ccccc2SCCC#N)c1 151817540 ZQMNCNGAQQPPHT-OAHLLOKOSA-N 324.449 4.743 30 20 DJED C[C@H](NCc1cccc(COC(C)(C)C)c1)c1ccc(C#N)cc1 174038304 VNODCGVHSFBKOE-INIZCTEOSA-N 322.452 4.724 30 20 DJED N#Cc1cccc(CNc2ccccc2N2CCCCCC2)c1 178246792 JLAQSKTXQQZOLW-UHFFFAOYSA-N 305.425 4.551 30 20 DJED CCCCc1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)cc1 180546699 SKXUQPHCZPQXKX-QGZVFWFLSA-N 322.452 4.782 30 20 DJED C[C@H](Nc1snc(Cl)c1C#N)c1cccc2ccccc12 301067566 DRYKKSXZKQDQRJ-JTQLQIEISA-N 313.813 4.994 30 20 DJED OC(=Nc1cccc2ocnc12)[C@H]1CCC[C@H](C(F)(F)F)C1 328920907 TUJYZDNLHNFHGO-UWVGGRQHSA-N 312.291 4.785 30 20 DJED N#CCc1ccc(N/C(O)=N/[C@@H]2CCCCC23CCCC3)cc1 329634326 TUSCYMXAOHBCMC-QGZVFWFLSA-N 311.429 4.582 30 20 DJED N#CCc1ccc(NC(=O)[C@@H](c2ccccc2)C2CC2)c(Cl)c1 411018493 RPQAMISBMCNXEL-SFHVURJKSA-N 324.811 4.538 30 20 DJED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](c1cc2ccccc2o1)C(C)C 436302950 BBGTZGPVUIZTPK-DBVUQKKJSA-N 313.441 4.701 30 20 DJED CCN(Cc1ccc(C#N)cc1Cl)[C@H](C)c1cccc(O)c1 439449967 KFLPCRDDDGKGFO-CYBMUJFWSA-N 314.816 4.500 30 20 DJED Fc1ccc([C@@H](NCCC(F)(F)F)C(F)(F)F)cc1Cl 444810011 DHXCDLBUGUOBQH-SECBINFHSA-N 323.639 4.625 30 20 DJED C=CC(C)(C)C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C 448778123 RZVUXNSICYJKJK-ZDUSSCGKSA-N 314.454 4.508 30 20 DJED C=CCN(CCc1ccco1)C(=O)Nc1c(C)cccc1Cl 467651497 SUBZCKJXEKOAMS-UHFFFAOYSA-N 318.804 4.504 30 20 DJED N#CC[C@@H](CC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 474082147 RTKVWBFNEKFELC-ZDUSSCGKSA-N 316.763 4.505 30 20 DJED CCC1(CC)CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 476818340 HCLRYVAHKJOTBI-UHFFFAOYSA-N 312.457 4.530 30 20 DJED C=C(C)[C@@H](NCc1cnc(C(C)C)s1)c1ccc(F)c(F)c1 479406142 BECYUXMOHVFSTK-MRXNPFEDSA-N 322.424 4.952 30 20 DJED Cc1cc(CN[C@@H](CC(F)(F)F)c2ccccc2)ccc1C#N 488101883 OVFHYSBQZSDICU-KRWDZBQOSA-N 318.342 4.650 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)Nc1ccc(F)cc1C#N 489709831 DHKUEGKVRRLMOL-KBPBESRZSA-N 322.383 4.625 30 20 DJED Cc1c(C(=O)N[C@@H]2CCC23CCCC3)sc2ccc(C#N)cc12 507320055 RMJSAKBMPGAEEG-MRXNPFEDSA-N 324.449 4.534 30 20 DJED C=CCCOCCCCC(=O)Nc1ccc(Cl)c(Cl)c1 537164797 HMDDWKCUKAWKDZ-UHFFFAOYSA-N 316.228 4.695 30 20 DJED C=CCN(Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)C1CC1 537853970 KNFBPTQSUCEHGN-UHFFFAOYSA-N 322.330 4.511 30 20 DJED CN(Cc1ccc(CC#N)cc1)Cc1ccc2ccccc2c1 544070604 BZHDOZLHVSYDGP-UHFFFAOYSA-N 300.405 4.538 30 20 DJED CC(C)(C)C[C@H](NC[C@@H](C#N)CCC#N)c1ccc(Cl)cc1 564856900 ZMZNRVUGIKBZIC-PBHICJAKSA-N 317.864 4.850 30 20 DJED CC#CCCCC(=O)N(C)c1ccc(Cl)c(C(F)(F)F)c1 569036251 YQPFVAAISGIWCQ-UHFFFAOYSA-N 317.738 4.515 30 20 DJED N#Cc1ccc2c(c1)[C@H](N[C@H]1CC[C@H](c3ccc(F)cc3)C1)CC2 583842476 VLFQJXXGXDCDMK-HFSMHLIXSA-N 320.411 4.611 30 20 DJED N#CCCCCCC(=O)Nc1ccc(Oc2ccccc2)cc1 588147799 SKWGMUIWHLCOAE-UHFFFAOYSA-N 308.381 4.891 30 20 DJED C[C@H](NCc1ccc(-c2ccccc2)o1)c1ccc(C#N)cc1 603633419 FBQDPZZUHYXNFN-HNNXBMFYSA-N 302.377 4.669 30 20 DJED CCCCN(Cc1ccc(C#N)cc1F)[C@@H](C)c1ccc(C)o1 604493656 VQNVIGYYHZCRHE-HNNXBMFYSA-N 314.404 4.962 30 20 DJED C=CC[C@@H](C)NC(=O)N(CC1CCC1)[C@H](C)c1ccccc1 607184361 ZYULAAQHUQGKDB-HZPDHXFCSA-N 300.446 4.524 30 20 DJED CSc1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)cc1F 610829967 UOPUBLRSQDAVGQ-OLZOCXBDSA-N 314.429 4.831 30 20 DJED Cc1cc(C#N)ccc1CNC1(c2ccc(Cl)cc2)CCC1 614402000 WNTOVMMVHBYDTB-UHFFFAOYSA-N 310.828 4.689 30 20 DJED CCCc1ccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1 620058230 PUPQZZOHIUYKBA-GOSISDBHSA-N 314.388 4.677 30 20 DJED CCC(=NNc1ncccc1Cl)c1ccc(Cl)s1 733203377 GWFAQLQOPSWUQS-UHFFFAOYSA-N 300.214 4.676 30 20 DJED C=C(C)CNC(=S)N(Cc1ccccc1)[C@H]1CCCC1(C)C 749900497 WLYKNWQZCYIIHO-KRWDZBQOSA-N 316.514 4.518 30 20 DJED O=C(/C=C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 750894488 AJUKZWFLDFLWLS-JHMJBTLWSA-N 319.769 4.762 30 20 DJED C=C(Cl)COc1ccc([C@H](C)NCc2ccc(F)cc2)cc1 764440907 CLNLNEKZSVAMDA-AWEZNQCLSA-N 319.807 4.808 30 20 DJED C=CCC[C@H](NC(=O)Nc1ccc(COC)cc1)c1ccccc1 772586950 GEAJECKZSWIPNF-IBGZPJMESA-N 324.424 4.662 30 20 DJED O=C(/C=C/c1ccc(OCC2CC2)cc1)c1cccc(F)c1F 790225719 UGJDGPXCJFAFEY-DHZHZOJOSA-N 314.331 4.650 30 20 DJED C=CCCCCC[C@H](C)N[C@H]1CCN(C(C)=O)c2ccccc21 793549759 QCRLHUHKMMMWMF-LPHOPBHVSA-N 314.473 4.599 30 20 DJED CCCCCCCCC(=O)N1CCCC[C@@H]1c1nccn1CC 797775714 JOXQUNVJAODGMX-QGZVFWFLSA-N 319.493 4.707 30 20 DJED O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Cc2c(O)cccc21 810248915 JERMAWAYJKJEFQ-UXBLZVDNSA-N 305.160 4.521 30 20 DJED CC(C)C[C@H](OC(=O)CC1(C#N)CCCCC1)c1ccccn1 850893081 ZWTYYVSZGKXQOJ-KRWDZBQOSA-N 314.429 4.576 30 20 DJED N#Cc1cccc(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)c1 917517647 KHIDCHGFOODFLZ-SNAWJCMRSA-N 302.160 4.761 30 20 DJED CC[C@H](OC(=O)c1ccc(C#N)c(Cl)c1)c1ccc(C)cc1 1127847810 IKBBZJRPXAKYMS-KRWDZBQOSA-N 313.784 4.828 30 20 DJED CCC(CC)[C@H](NC(=O)c1ccc(F)c(C#N)c1)c1ccccc1 1264510127 HBJSIVSGKYDNLH-IBGZPJMESA-N 324.399 4.605 30 20 DJED C#CCOc1ccc([C@H](C)N[C@@H](CC)c2ccc(F)cc2)cc1 1320221053 SRTUFOJKHIBTDB-YWZLYKJASA-N 311.400 4.640 30 20 DJED C[C@H]1CCc2sc(NC(=O)c3ccsc3)c(C#N)c2[C@H]1C 1527166690 YXEHQNYAIJWMGU-UWVGGRQHSA-N 316.451 4.619 30 20 DJED CC(C)[C@]1(C)C[C@H]1C(=O)Nc1cc(C(C)(C)C)sc1C#N 1535488858 REKHTPMNXAGKCT-GTNSWQLSSA-N 304.459 4.538 30 20 DJED N#Cc1ccccc1N(C(=O)C1CCCCCCC1)C1CCC1 1538981440 WRJVQMUHNIHLBJ-UHFFFAOYSA-N 310.441 4.804 30 20 DJED CC[C@@H]1c2ccccc2CN1C(=O)c1ccc(C(C)(C)C#N)cc1 1539153016 UHLSQMDCZPWIEE-LJQANCHMSA-N 318.420 4.595 30 20 DJED CCC(CC)(CNc1cc(C)c(C#N)cn1)c1ccc(F)cc1 1559244162 UECHVOKMFYWJPG-UHFFFAOYSA-N 311.404 4.571 30 20 DJED Cc1ccccc1-n1ccnc1SCc1ccc(CC#N)cc1 1559343487 VTQSUMYMFKOWKY-UHFFFAOYSA-N 319.433 4.539 30 20 DJED CC[C@@H]1CN(Cc2ccc(C#N)c(C)c2)CC[C@@H]1c1ccccc1 1621133548 ZTLIDHWIZDOKJL-KNQAVFIVSA-N 318.464 4.882 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2CC[C@H](C3CCCCC3)C2)n1 1642904491 MYFMPMNEHOXCHX-KRWDZBQOSA-N 311.473 4.657 30 20 DJED Cc1c(Cl)cc2c(c1Cl)CCCN2CCC(C)(C)C#N 1643393868 NUJGGSLJCPZSHW-UHFFFAOYSA-N 311.256 4.994 30 20 DJED Cc1ccc(C#N)c(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)n1 1650752783 NKRYXDZLTLTRFQ-SSKCKEOISA-N 311.816 4.724 30 20 DJED CC[C@H](S[C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1 1652714450 CTTNGHDCVNEQRC-KDOFPFPSSA-N 324.449 4.770 30 20 DJED Cc1ccc(C(C)(C)CNc2nc(C)c(C#N)cc2Cl)cc1 1655101223 KYOPHECGZNVOJS-UHFFFAOYSA-N 313.832 4.613 30 20 DJED C[C@H](NC[C@H](C)CCC#N)c1ccc(-c2cccc(C#N)c2)cc1 1659428740 QOXVBVVRWSZVGU-SJORKVTESA-N 317.436 4.816 30 20 DJED N#Cc1ccc(CN2CCC[C@@H]2CCC2CCCC2)c(F)c1 1663613492 ULJRMWHVYPMBGA-GOSISDBHSA-N 300.421 4.632 30 20 DJED Cc1c(C(=O)Nc2ccc(CC#N)cc2)oc2ccc(Cl)cc12 17368460 ZJNHDMIPPOTNRF-UHFFFAOYSA-N 324.767 4.713 30 20 DJED Cc1cc(N[C@@H](C)c2cccc(C#N)c2)ccc1Br 37198886 QCDMYNZMQOCQHT-LBPRGKRZSA-N 315.214 4.802 30 20 DJED Cc1ccc(N[C@@H](C)c2ccc(OCC#N)cc2)c(Cl)c1 37245028 NVDOFRCCCFBHQK-ZDUSSCGKSA-N 300.789 4.724 30 20 DJED CCC[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2o1)c1ccccc1 41548223 FGKRIMHKIQXTNN-CVEARBPZSA-N 318.376 4.588 30 20 DJED CCN(CCC#N)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 64348680 LPJFYCVAPNDACJ-UHFFFAOYSA-N 322.330 4.701 30 20 DJED N#CC1(C(=O)Nc2cccc(Nc3ccccc3)c2)CCCCC1 74071952 MAGYJUKBAREZJI-UHFFFAOYSA-N 319.408 4.843 30 20 DJED C=C[C@@H](CC(=O)N(C)c1cccc2ncccc12)c1ccccc1 89843612 JQGYCCCJTUPOGU-INIZCTEOSA-N 316.404 4.558 30 20 DJED COc1ccccc1[C@H](NCc1cccc(C#N)c1)C1CCCC1 91283995 AAOWQDCLMMGCLJ-OAQYLSRUSA-N 320.436 4.588 30 20 DJED N#Cc1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 108404120 ITMAQFWKKISNGR-UHFFFAOYSA-N 314.344 4.603 30 20 DJED Cc1nnc(SCCCC(C)(C)C#N)n1[C@H]1CCC[C@@H](C)C1 127586868 CBLFMJWXZGPEQT-HIFRSBDPSA-N 320.506 4.760 30 20 DJED N#CCCCCNC(=O)Nc1ccc(SC2CCCC2)cc1 171370330 AAUBTLCLXWCPHX-UHFFFAOYSA-N 317.458 4.537 30 20 DJED C=C(C)[C@H](N[C@H](C)c1cc(F)ccc1O)c1ccc(F)c(F)c1 186449892 JUXWBVBLDMWMTE-ZMZPIMSZSA-N 321.342 4.778 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)C[C@H]1C=CCCC1 187771122 XYKKFFHJEMJCBA-CABCVRRESA-N 314.454 4.623 30 20 DJED N#Cc1ccc(F)cc1CSc1cccc(Br)c1 236215396 KXTRULAVENCJMZ-UHFFFAOYSA-N 322.202 4.752 30 20 DJED O/C(=N/Cc1noc2c1CCCC2)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 329320442 UDTMSAFMQWUAGP-RRFJBIMHSA-N 316.445 4.616 30 20 DJED N#CCC[C@@H](NC(=O)c1cccc2ccsc12)c1ccccc1 341524959 CNCIXCYNNDYQIV-QGZVFWFLSA-N 320.417 4.676 30 20 DJED COc1ccc(C#N)cc1CN[C@@H](CC1CCC1)c1ccccc1 351026009 IPWMTRBRKJRBJQ-FQEVSTJZSA-N 320.436 4.588 30 20 DJED Cc1cc(CCCC(=O)Nc2cc(C#N)ccc2C)c(C)s1 439733661 OPVJPUDWZHROET-UHFFFAOYSA-N 312.438 4.506 30 20 DJED CC[C@@H](Nc1ccccc1OC(F)F)c1ccc(C#N)cc1 447599059 IXEKFUVUDWVAJC-CQSZACIVSA-N 302.324 4.723 30 20 DJED CC1(C#N)CCC(NCc2ccccc2OC2CCCC2)CC1 449091394 QHUHSIQIDGCVAE-UHFFFAOYSA-N 312.457 4.570 30 20 DJED N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@H]1c1ccsc1 467732730 IMOLGQNSTGGDIS-AWEZNQCLSA-N 322.355 4.980 30 20 DJED N#Cc1cc(CNc2cccc(OC3CCCC3)c2)ccc1F 467773924 TVVHGYHBKKBAPP-UHFFFAOYSA-N 310.372 4.631 30 20 DJED C=CCCC1(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)CC1 474792438 VSUTUUBJVZQLJJ-UHFFFAOYSA-N 322.408 4.904 30 20 DJED N#CC[C@@H](CC(=O)N1CCC[C@H]1C1CCCCC1)c1ccccc1 474976121 XRFOHZSMOXLNQT-PMACEKPBSA-N 324.468 4.645 30 20 DJED C[C@@H](C1CCCCC1)N(C)C(=O)c1ccc(C(C)(C)C#N)cc1 477091219 QQEWQALZIVTYFG-HNNXBMFYSA-N 312.457 4.529 30 20 DJED C=CCCCC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 479519588 XAJDUZQFKBGXPR-UHFFFAOYSA-N 304.390 4.552 30 20 DJED C[C@H](N[C@H]1CC[C@H](c2cccc(F)c2)C1)c1cccc(C#N)c1 479528796 OXOZMKSEDBRYSO-DCPHZVHLSA-N 308.400 4.684 30 20 DJED Cc1cccc2cc(C(=O)N(C)c3cc(Cl)ccc3C#N)oc12 479564661 QSQWGPSPRGXJNL-UHFFFAOYSA-N 324.767 4.543 30 20 DJED Cc1cc(CNc2nc(C)cc(C)c2C#N)c2[nH]c(C)c(C)c2c1 480430540 HWGGRAIZTKPKPQ-UHFFFAOYSA-N 318.424 4.589 30 20 DJED C=CCCCC(=O)N(Cc1ccc(Br)cc1)C(C)C 481328051 PZYXVBJQZJBWDB-UHFFFAOYSA-N 324.262 4.542 30 20 DJED C=C(C)CN(C)C(=O)Nc1ccccc1Oc1cccc(F)c1 481704375 XEYMVHJDFKZLFS-UHFFFAOYSA-N 314.360 4.658 30 20 DJED Cc1ccccc1[C@H](CC(C)C)NC(=O)c1cccc(CC#N)c1 485571483 AXONXUHHJMYMPL-FQEVSTJZSA-N 320.436 4.578 30 20 DJED C=CC[C@H](C(=O)Nc1ccc(OC(C)C)cc1)c1ccccc1 488673294 HAUFFFQMYMSETA-IBGZPJMESA-N 309.409 4.772 30 20 DJED COc1ccc(C#N)cc1N[C@@H](C)c1ccc2ccccc2c1 493837774 VWAPSGIJYLTZEO-AWEZNQCLSA-N 302.377 4.893 30 20 DJED N#Cc1cccc(CN(Cc2ccccc2Cl)CC2CC2)c1 503673166 LIFCBVSNXABKMJ-UHFFFAOYSA-N 310.828 4.624 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)CC1CCCC1 510033375 NVADHTCJWNUIAC-MRXNPFEDSA-N 312.457 4.513 30 20 DJED C=CCCCc1nc([C@H](F)c2ccc(C(F)(F)F)cc2)no1 512023699 KAYSTSMEBAIIJL-CYBMUJFWSA-N 314.282 4.656 30 20 DJED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)Cc1ccccc1C#N 519908466 ZMLHXWIFSRPMSY-ZDUSSCGKSA-N 318.342 4.770 30 20 DJED C=CC[C@H](C)N[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 523935672 BRXFPJKASSPPAL-YWZLYKJASA-N 318.420 4.646 30 20 DJED N#CCCCCN[C@@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 537294855 GYZSTBAUJUJZFR-CZUORRHYSA-N 311.256 4.913 30 20 DJED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)c(F)c1 552922768 SMZUVNVTSRCDBE-BUXKBTBVSA-N 312.363 4.565 30 20 DJED C[C@@H](N[C@H](C)c1nccc2ccccc12)c1ccc(C#N)cc1 554987930 GXUWHKZOZWYMNY-HUUCEWRRSA-N 301.393 4.518 30 20 DJED CCC[C@@H](CC1CCCCC1)C(=O)NCC(C)(C)CCC#N 567396085 QNOAIQYFHGUIRW-KRWDZBQOSA-N 306.494 4.819 30 20 DJED CCN(Cc1ccc(SC)s1)[C@@H](C)c1ccc(C#N)cc1 576392869 XUNTUQUXKPCYCX-ZDUSSCGKSA-N 316.495 4.925 30 20 DJED N#Cc1cccc(C2(NCc3ccc(Cl)cc3Cl)CC2)c1 578890911 GHPGENZUXOAJFX-UHFFFAOYSA-N 317.219 4.644 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1C[C@@H]1c1ccccc1 582632727 CRSUFVRZEOPEFP-NHCUHLMSSA-N 323.484 4.646 30 20 DJED Cc1ccc([C@H]2CCCCCN2C(=O)CCCCCC#N)o1 588756399 QPBDGNRCBZDNCT-MRXNPFEDSA-N 302.418 4.506 30 20 DJED CC[C@H](NC1(c2ccccc2Cl)CC1)c1ccc(C#N)cc1 592391836 NLUWSGMESZHJSC-SFHVURJKSA-N 310.828 4.942 30 20 DJED N#CC1(CC(=O)Nc2ccccc2CC(F)(F)F)CCCCC1 597299557 FXDMIUVFGHSKHO-UHFFFAOYSA-N 324.346 4.594 30 20 DJED CC(C)Oc1ccc(CNc2cc(F)cc(C#N)c2)cc1Cl 600856873 RUTXIXLPDDMZEF-UHFFFAOYSA-N 318.779 4.750 30 20 DJED CCCc1nc(CS[C@@H](C)c2ccc(C#N)cc2)cs1 609825164 JEBAQDYFZPNCQY-LBPRGKRZSA-N 302.468 4.962 30 20 DJED N#Cc1cccc(CSCc2cc(-c3cccs3)on2)c1 609900276 ZQXHNHGELASQKO-UHFFFAOYSA-N 312.419 4.708 30 20 DJED Cc1cc2cc(CNCc3ccc(C#N)c(Cl)c3)oc2cc1C 619748767 NYUAMMHPFVXTRP-UHFFFAOYSA-N 324.811 4.865 30 20 DJED C=C(C)[C@@H](NCc1cc(COC)cs1)c1ccc(F)c(F)c1 657437197 RHUOYHAEJCZCNK-QGZVFWFLSA-N 323.408 4.580 30 20 DJED CCc1ccc(C(=O)/C=C/c2cnc(C(C)(C)C)s2)s1 736433644 YNDDXTFZFISRBS-SOFGYWHQSA-N 305.468 4.961 30 20 DJED Cc1cccc([C@H](C)C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c1 740527597 HRAMGCXDNVNAHI-YJBOKZPZSA-N 314.388 4.523 30 20 DJED CCCCCC[C@@H](C)CC(=O)N[C@H](C)c1cccc(C#N)c1 743776191 WIRLRTYBQFJHHM-HZPDHXFCSA-N 300.446 4.732 30 20 DJED O=C1/C(=C/c2coc(-c3ccccc3)n2)CCc2sccc21 749891576 NFUAEFDEUMTNIJ-JLHYYAGUSA-N 307.374 4.616 30 20 DJED C[C@@H](C(=O)Oc1ccc(C#N)cc1)c1c(Cl)cccc1Cl 751041459 WSGVJBZMYSHJQF-SNVBAGLBSA-N 320.175 4.574 30 20 DJED C[C@H](OC(=O)Cc1coc2ccc3ccccc3c12)C(C)(C)C#N 753628602 KYWCIVDCCCGARL-ZDUSSCGKSA-N 321.376 4.610 30 20 DJED CC(=O)Nc1cccc(C(=O)/C=C\c2ccc(Cl)cc2C)c1 767340974 LQDLGUOLCYRNSX-CLFYSBASSA-N 313.784 4.503 30 20 DJED C=CCC[C@@H](NC(=O)c1sc(Cl)nc1C)c1ccccc1 772244663 MILYSOLFVGAOKH-CYBMUJFWSA-N 320.845 4.542 30 20 DJED Cc1ccc([C@@H](NCc2ccc(C#N)cc2)C2CCCC2)cc1 783220249 BSKIZHWQFLJRPW-NRFANRHFSA-N 304.437 4.888 30 20 DJED Cc1cc(/C=C/C(=O)c2cnn(C(C)C)c2C)cc2cccnc12 787186412 ARRMWWFQWYABKD-BQYQJAHWSA-N 319.408 4.525 30 20 DJED Cc1cc(C(=O)/C=C\c2ccc(Br)s2)oc1C 799896139 GQDGAEZRBHKLFW-HYXAFXHYSA-N 311.200 4.617 30 20 DJED CCOc1ccc(/C=C/C(=O)c2c(F)cccc2Cl)cc1 809159178 KAFUZIMXCFMIJX-DHZHZOJOSA-N 304.748 4.774 30 20 DJED CCc1cnccc1C(=O)/C=C/c1cscc1C(F)(F)F 811692234 CTUFYYFSXIGFIM-ONEGZZNKSA-N 311.328 4.620 30 20 DJED C=CCCCCCCCNC(=O)N(C)[C@H](C)c1cccc(O)c1 812495028 HYSRBWIEXSDPSM-MRXNPFEDSA-N 318.461 4.621 30 20 DJED CC(C)(C#N)[C@H]1CCCC1=NNc1ccc(C(F)(F)F)cc1 814882446 OZFPVUNUWYUEHN-ZDUSSCGKSA-N 309.335 4.823 30 20 DJED C=CCC(F)(F)C(=O)N(C)Cc1ccccc1-c1ccccc1 815224842 KEZUJIIDQQHGKX-UHFFFAOYSA-N 315.363 4.523 30 20 DJED C=C(Cl)COc1ccc([C@H](C)NCCC(C)(F)F)cc1 834817955 FVENDKOXNNXVPG-LBPRGKRZSA-N 303.780 4.514 30 20 DJED C=CCC1(CN[C@@H]2CCC[C@H](CCCC(=O)O)C2)CCCC1 902268666 MDIOYBDHYHZAGR-IAGOWNOFSA-N 307.478 4.526 30 20 DJED CC[C@H](/N=C/c1cc2ccccc2nc1O)c1ccc(OC)cc1 912778894 AFRHRWJBPCPELJ-LANLRWRYSA-N 320.392 4.519 30 20 DJED C[C@@H](CC1CCCCC1)C(=O)Nc1ccc(C#N)cc1Cl 1127111442 YSROVGPKMJLRJB-LBPRGKRZSA-N 304.821 4.757 30 20 DJED C[C@H](CCC(C)(C)C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 1129977618 YQZDUWCKLOTWPK-KDOFPFPSSA-N 312.457 4.514 30 20 DJED N#Cc1ccc(N[C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)nc1 1163531847 VGGFEPAJIZRECA-DOTOQJQBSA-N 311.816 4.745 30 20 DJED COc1ccc(C)cc1[C@H](C)NCCC1(C#N)CCCCC1 1194975123 RLCYOHWZNGHQAH-INIZCTEOSA-N 300.446 4.518 30 20 DJED N#C[C@@H]1CCC[C@@H](Nc2cc(Cl)cc(Br)c2)C1 1206151988 VMQPIQQLZWHNCE-BXKDBHETSA-N 313.626 4.597 30 20 DJED CCCCN(C(=O)Nc1cc(C)cc(C#N)c1)C1CCCCC1 1310872624 UYYXIPHULRZQHP-UHFFFAOYSA-N 313.445 4.833 30 20 DJED CC(C)c1nnc(-c2ccc(Sc3ccccc3C#N)cc2)o1 1330039793 TYYTXRXLPALLGO-UHFFFAOYSA-N 321.405 4.883 30 20 DJED CC[C@H]1[C@H](C)CCN1Cc1ccc(-c2ccccc2C#N)cc1 1459993746 HBDDNLYEXHRWOF-IERDGZPVSA-N 304.437 4.846 30 20 DJED COc1ccc(C#N)cc1CN(C(C)C)[C@H](C)c1ccsc1 1460306260 WMJVNLAIERZJSX-CQSZACIVSA-N 314.454 4.600 30 20 DJED C[C@@H](OC(=O)[C@]1(c2ccccc2)CC1(C)C)c1ccc(C#N)cc1 1524301388 HAXVLPLFWOKCDB-QVKFZJNVSA-N 319.404 4.530 30 20 DJED N#Cc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2F)cs1 1533357264 XGJSZXPXNJDULX-UHFFFAOYSA-N 322.364 4.678 30 20 DJED CC(C)CN(Cc1cccc(C(F)(F)F)c1)CC1(CC#N)CC1 1560030042 LDHGKJCQZFOOOX-UHFFFAOYSA-N 324.390 4.857 30 20 DJED CSc1cc(Cl)ccc1NC(=O)CC1(C#N)CCCCC1 1586043219 YHIFQBDOZXXAEG-UHFFFAOYSA-N 322.861 4.865 30 20 DJED N#Cc1cc(F)ccc1CN1CCC[C@H]1CCCc1ccccc1 1616331541 KHXXTZFKNHNUBT-OAQYLSRUSA-N 322.427 4.685 30 20 DJED CCS[C@@H]1CCCC[C@H]1Nc1nc(C(C)(C)C)ccc1C#N 1639586213 FPMVMPMVQPFVOD-HUUCEWRRSA-N 317.502 4.727 30 20 DJED CCCC[C@H](CCC)CNc1nc(C(F)(F)F)ccc1C#N 1639611178 YDFAAWXVZZYGMM-LBPRGKRZSA-N 313.367 4.990 30 20 DJED Cc1cc(C)c(C#N)c(SCc2ccc(C(C)C)nc2C)n1 1652395924 UBAKZKSXMSKHCM-UHFFFAOYSA-N 311.454 4.689 30 20 DJED Cc1cc(C)c(/C=C/CN[C@H](C)c2cccc(C#N)c2)cc1C 1658597141 WVSCEZHXALCBRH-AHKGRUIUSA-N 304.437 4.848 30 20 DJED CC1(C)CCc2ccccc2C(=NNc2ccc(C(=O)O)cc2)C1 1776012711 LQLPYJODNSWWOS-UHFFFAOYSA-N 322.408 4.564 30 20 DJED Cc1c(NN=C2CC[C@H](Cc3ccccc3)C2)cccc1C(=O)O 1776088396 JFIVWJDVXRMFCN-MRXNPFEDSA-N 322.408 4.504 30 20 DJED CC(C)[C@H](NC[C@H](C#N)CCC#N)c1ccc(C(C)(C)C)cc1 23677577 BIMXBEZAXPSMAH-LPHOPBHVSA-N 311.473 4.714 30 20 DJED C=CCN(CCc1ccccc1)C(=O)c1sccc1C(C)C 65776047 FMIMZWGQOUAFQY-UHFFFAOYSA-N 313.466 4.742 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)c2sccc2C2CC2)n1 80454634 XYLJATMTFGURRA-GFCCVEGCSA-N 316.451 4.695 30 20 DJED C[C@H]1C[C@@H]1c1ccc(CNc2cccc(OCCCC#N)c2)o1 119745086 RFYGTUQKBPLKBK-KSSFIOAISA-N 310.397 4.698 30 20 DJED N#Cc1ccc(CN[C@H](c2ccccc2)c2cccc(F)c2)s1 154258912 MQZPPAFJLHHIOA-LJQANCHMSA-N 322.408 4.638 30 20 DJED C#CCCCCC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 179946461 NORAQOGBJUXARE-KRWDZBQOSA-N 320.436 4.992 30 20 DJED C[C@@H](COc1cc(Br)ccc1C#N)C1CCCCC1 308141902 HWODABGTVHCANS-LBPRGKRZSA-N 322.246 4.916 30 20 DJED Cc1nc(C(C)(C)C)sc1/C(O)=N/[C@H](C)c1cccc(O)c1 330428185 HRKPDFCBLZDNIU-SNVBAGLBSA-N 318.442 4.520 30 20 DJED Cc1nc(Oc2cccc(C(F)(F)F)c2)c(Cl)cc1C#N 387212235 DWYXOKJCFIJXSV-UHFFFAOYSA-N 312.678 4.726 30 20 DJED CN(Cc1ccc(Oc2ccccc2)c(F)c1)CC(C)(C)C#N 433311563 IAELDTDAUUOGEG-UHFFFAOYSA-N 312.388 4.600 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](c1ccc(Cl)cc1)C(C)C 436318057 XABMKEMDQVIEBF-NXHRZFHOSA-N 307.865 4.608 30 20 DJED C[C@H]1C[C@@H](c2cccc(F)c2)N(CCCCC(C)(C)C#N)C1 444642638 RQUDVCYJIGVNAX-YJBOKZPZSA-N 302.437 4.929 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2ccc(C)cc2F)CCCC1(C)C 444822521 LDTPXNMAVPLWNE-INIZCTEOSA-N 304.409 4.733 30 20 DJED CCS[C@@H]1CCC[C@@H](N[C@@H](CC)c2ccc(C#N)cc2)C1 447584119 DXEMOXCLGBVICG-KURKYZTESA-N 302.487 4.663 30 20 DJED CC(C)Oc1cccc([C@@H](C)NC2CCC(C)(C#N)CC2)c1 449083808 VLLNJNAZBFJSEE-LSJNQWAISA-N 300.446 4.597 30 20 DJED N#CC[C@H](CC(=O)Nc1cccc2ccccc12)c1ccccc1 474418055 REDIEVYNWDHPRK-GOSISDBHSA-N 314.388 4.866 30 20 DJED Cc1cc(C)cc([C@@H](C)NC(=O)C[C@@H](CC#N)c2ccccc2)c1 475761836 RWDMJHJEZPWQJH-IEBWSBKVSA-N 320.436 4.568 30 20 DJED Cc1ccc(C#N)cc1NC(=O)C[C@@H](c1ccccc1)C(C)C 483499007 YFQROUKOCPNNHX-GOSISDBHSA-N 306.409 4.635 30 20 DJED Cc1nc(Oc2ccc(C#N)cc2)c2c(CC(C)C)csc2n1 514088672 IEDBSPIZJUVCDU-UHFFFAOYSA-N 323.421 4.862 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCc2cc(Cl)ccc21 515319439 CLSMMRIMUSZJCR-PMACEKPBSA-N 322.839 4.866 30 20 DJED C=C[C@@H](CC(=O)N(CC)Cc1cccc(F)c1)c1ccccc1 536090327 KJIQYKNELSDCLN-KRWDZBQOSA-N 311.400 4.534 30 20 DJED Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCC(C)(C)CCC#N 567646245 JCIDWYXESPTWIF-SFHVURJKSA-N 309.457 4.773 30 20 DJED CCO[C@H](C)c1nc(CSc2cccc(F)c2C#N)cs1 579733861 IQAVBRNFWPLXTN-SNVBAGLBSA-N 322.430 4.544 30 20 DJED CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)NCC1(C#N)CC1 584380408 ZLGOSCRENINQQP-OAHLLOKOSA-N 324.390 4.556 30 20 DJED N#Cc1ccc(CNCc2cccc(C(F)(F)F)c2)cc1Cl 619748396 DCPJCTVTANUBPO-UHFFFAOYSA-N 324.733 4.520 30 20 DJED C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCO[C@@H](c2cccs2)C1 658028946 LSGYAQDGLBLYSG-WCXIOVBPSA-N 305.487 4.693 30 20 DJED C=C(CNC(=O)Nc1ccccc1C(C)(C)C)c1ccccc1 672599618 RORVKHCKQSWBIL-UHFFFAOYSA-N 308.425 4.819 30 20 DJED Cc1sc2ncnc(NN=C3CCC[C@H](C4CC4)C3)c2c1C 737421759 VYMYITWGGVTAMU-ZDUSSCGKSA-N 314.458 4.676 30 20 DJED CCCCCC[C@@H](C)C(=O)Oc1c(Cl)cc(C#N)cc1OC 741886196 AKWAFTHIOHKYPI-GFCCVEGCSA-N 323.820 4.732 30 20 DJED CSc1ccc(C(=O)/C=C\c2cccc(OC(F)F)c2)cc1 747063925 RLFKPKRGKXBQMJ-YHYXMXQVSA-N 320.360 4.906 30 20 DJED C[C@@H](OC(=O)c1sccc1C#N)c1ccc2ccccc2c1 748096899 VUMQPUZGDICKFO-GFCCVEGCSA-N 307.374 4.691 30 20 DJED C=CCC[C@@H](NC(=O)C=C1CCC1)c1ccc(C(F)(F)F)cc1 749943577 KKRHBMZWGQGTMC-MRXNPFEDSA-N 323.358 4.939 30 20 DJED C=CCC(CC=C)C(=O)OCc1csc(-c2cccs2)n1 759008543 SYOQROULEXGNQT-UHFFFAOYSA-N 319.451 4.683 30 20 DJED CCC(CSc1ccc(Cl)cc1)=NOCC(F)(F)F 764844652 LRNCRCOHWHLJLK-UHFFFAOYSA-N 311.756 4.777 30 20 DJED COc1ccc(N(CCCCC(C)(C)C#N)C(C)C)cc1F 769746459 JOZZKDRMPPYRGL-UHFFFAOYSA-N 306.425 4.769 30 20 DJED CCC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(OCC#N)cc1 776155378 FEKOJPYUELNZTJ-WDYCEAGBSA-N 300.446 4.598 30 20 DJED C#CCCCCCC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 779805741 RDBKSKMZDAFEMR-KRWDZBQOSA-N 303.833 4.587 30 20 DJED C=CCCCCCCNC(=O)N1CCC[C@@H]1c1ccsc1 806004881 SXUPBAGJOQVFLA-MRXNPFEDSA-N 306.475 4.731 30 20 DJED CC1(C)CCCC[C@@H]1CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842940350 BVOIWTTWHKHAGS-ZIAGYGMSSA-N 316.470 4.803 30 20 DJED Cc1cccc(NN=Cc2cc(Cl)ccc2OC(F)F)c1 915936271 TTXHFYJBFLJBPP-UHFFFAOYSA-N 310.731 4.696 30 20 DJED CC(=NNc1nccc2sccc12)c1ccc(Cl)cc1 915980073 OXFXVCYSABGWRW-UHFFFAOYSA-N 301.802 4.786 30 20 DJED O=C(/C=C\c1cc(Br)cs1)c1ccccc1F 916135738 MRYUZUWEWGZLBX-WAYWQWQTSA-N 311.175 4.546 30 20 DJED CC(C)CN(C(=O)CC1(C)CCCCC1)c1ccc(C#N)cc1 1124901337 XKGNLVXTBGRDID-UHFFFAOYSA-N 312.457 4.908 30 20 DJED C[C@H](OC(=O)[C@@H]1CCC[C@H]1c1ccccc1)c1ccc(C#N)cc1 1126637977 QWUZXOKHCJRVCF-RYGJVYDSSA-N 319.404 4.746 30 20 DJED N#Cc1ccc(N[C@@H](c2ccc(F)cc2)C2CCCCC2)nc1 1163920662 KQUZROYCIKZLLX-LJQANCHMSA-N 309.388 4.826 30 20 DJED CCC1(CC)CN(Cc2ccccc2C(C)(C)C#N)CCS1 1193129892 LYQIQLNILXSNJP-UHFFFAOYSA-N 316.514 4.595 30 20 DJED CC(C)Oc1ccc2ccccc2c1CN1CCC[C@@](C)(C#N)C1 1307601703 KHFDBFQGBYXWKY-NRFANRHFSA-N 322.452 4.753 30 20 DJED CC[C@H](C#N)[C@@H](OC(=O)[C@@H](F)c1ccccc1)c1cccs1 1343904280 AZVYWVVZSPGEML-UHOFOFEASA-N 317.385 4.593 30 20 DJED CCN(C(=O)[C@@H]1C[C@H]1CC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 1355439246 MSKJMVSMCLGLII-FHLIZLRMSA-N 312.457 4.540 30 20 DJED CCCC[C@H](CC)CC(=O)Nc1cc(C#N)ccc1NCC 1545760016 OOYMDLLWDQFMGX-AWEZNQCLSA-N 301.434 4.535 30 20 DJED CC(C)CN(CCC#N)Cc1ccc(Cl)c(C(F)(F)F)c1 1559554263 YLDMAGQKGDZSON-UHFFFAOYSA-N 318.770 4.730 30 20 DJED C=C(Cl)CNC(=O)N[C@@H](C)c1ccc(Cl)c2ccccc12 1564621334 PNXPDASBNVOTKB-NSHDSACASA-N 323.223 4.606 30 20 DJED Cc1nc(NC[C@@H](c2ccc(Cl)cc2)C(C)C)ccc1C#N 1612357720 ONPQWKICWZLPIM-QGZVFWFLSA-N 313.832 4.767 30 20 DJED N#Cc1ccc(CCOc2ccc(Cl)c3ccccc23)cc1 1651624064 IIWSKBWOBURVKQ-UHFFFAOYSA-N 307.780 4.986 30 20 DJED N#Cc1ccc(Oc2cccc(Nc3cncc(Cl)n3)c2)cc1 1655114557 WTVUAIJEUQTLCR-UHFFFAOYSA-N 322.755 4.538 30 20 DJED CCN(Cc1cccc(F)c1Cl)[C@@H](C)c1ccc(C#N)cc1 1657042182 YYIMOJZIJZABJV-ZDUSSCGKSA-N 316.807 4.934 30 20 DJED CC(C)N(CCc1ccccc1)Cc1ccccc1C(C)(C)C#N 1657084620 RHWMQXSNOWOOFF-UHFFFAOYSA-N 320.480 4.941 30 20 DJED COc1cc(Cl)c(CNc2cc(C#N)ccc2C)cc1Cl 1658087750 XQYRJQSHADQWIX-UHFFFAOYSA-N 321.207 4.794 30 20 DJED C[C@@H](CC1(C#N)CCOCC1)NCC[C@H]1C[C@@H](C)CC(C)(C)C1 1659045010 VYXAUSQUMKTBHA-SQNIBIBYSA-N 320.521 4.527 30 20 DJED N#Cc1ccc(CNC[C@@H]2CCCC[C@H]2c2ccccc2)cc1F 1659227160 JJJQAKHLUMVQGD-PMACEKPBSA-N 322.427 4.761 30 20 DJED Cc1ccc(C2CC(N[C@@H]3CCCc4cc(C#N)ccc43)C2)cc1 1665022310 NZOJVJYGJXUCOG-QETWGEEDSA-N 316.448 4.780 30 20 DJED C[C@H]1CCC[C@@H]([C@H](C)NC(=O)Nc2ccc(C#N)cc2Cl)C1 1667925827 BQYUOFMRCUFJJH-SGMGOOAPSA-N 319.836 4.548 30 20 DJED C=C(CNC(=O)NC[C@H](CCC)CCCC)c1ccccc1 1670287365 JJGBQQFKFVLFFL-QGZVFWFLSA-N 302.462 4.606 30 20 DJED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(C#N)cc1Cl 1675376849 IOMIPAMSZWKYBA-OCCSQVGLSA-N 319.836 4.548 30 20 DJED CC(C)c1cccc(C=NNc2ccc(Cl)c(C(=O)O)c2)c1 1776034017 GOVOPIAEIQVRCZ-UHFFFAOYSA-N 316.788 4.608 30 20 DJED Cc1ccc2[nH]c(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2c1 25841483 XJGSBGYZEDVVPM-UHFFFAOYSA-N 317.392 4.530 30 20 DJED N#Cc1ccc(CSc2ccccc2Br)c(F)c1 36961465 FQZBJINCXFCYGP-UHFFFAOYSA-N 322.202 4.752 30 20 DJED C=CCN(CCc1ccccc1)C(=O)Nc1cccc(Cl)c1 65984873 KIUOIGQFPAXRAG-UHFFFAOYSA-N 314.816 4.603 30 20 DJED C[C@H](C#N)CSc1ccccc1NCc1ccc(F)cc1F 84919143 HJSDYOKUVNYUME-GFCCVEGCSA-N 318.392 4.829 30 20 DJED N#C[C@@H](C(=O)C1=CCCCC1)c1nc2cc(Cl)ccc2s1 123396437 PLBWVDPTIXNGJC-LBPRGKRZSA-N 316.813 4.626 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1cccc(C2SCCS2)c1 135473001 ROUTXKMZYQYSNL-INIZCTEOSA-N 307.484 4.706 30 20 DJED C[C@H](NCc1ccc(C#N)cc1F)c1ccccc1C(F)(F)F 177858797 DXVNZWGXXKKELS-NSHDSACASA-N 322.305 4.567 30 20 DJED C=CCOc1ccccc1C(=O)Nc1cccc2ccccc12 219359320 MTOJWXNMGAMLDP-UHFFFAOYSA-N 303.361 4.657 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@@H]2CCc3c(Cl)cccc32)c1 302095473 IYBTZNZECBKSJX-QGZVFWFLSA-N 310.784 4.514 30 20 DJED Cc1cnc(C/N=C(/O)C2(C3CCCCC3)CCCCC2)o1 329979322 JJBYYBHWLJZCET-UHFFFAOYSA-N 304.434 4.970 30 20 DJED Cc1cccc(C(C)C)c1N/C(O)=N/C[C@@H]1CCO[C@@H]1C(C)C 331173303 UXHKBQIHKZFFIM-MAUKXSAKSA-N 318.461 4.505 30 20 DJED C=CCC[C@H](NCCCCC#N)c1ccc(C(F)(F)F)cc1 342221152 KOHRNASECNLPCV-INIZCTEOSA-N 310.363 4.996 30 20 DJED C=C[C@@](C)(CC)C(=O)N(C)c1nc2cc(Cl)ccc2s1 435975845 ATOVVRBJMZCVKJ-HNNXBMFYSA-N 308.834 4.515 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](c1cc2ccccc2o1)C(C)C 436302951 BBGTZGPVUIZTPK-UXPWSPDFSA-N 313.441 4.701 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1ccc(-c2nc(C)cs2)cc1 467950230 UDPRGMWFBVUBJF-QGZVFWFLSA-N 300.427 4.659 30 20 DJED CCC[C@@]1(C)CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 476229600 XVMVJRAFIGAWHO-FQEVSTJZSA-N 312.457 4.530 30 20 DJED C=C(C)CN(C)C(=O)Nc1cccc(Cl)c1SC(C)C 477523569 BKZSBOHYJQECNU-UHFFFAOYSA-N 312.866 4.880 30 20 DJED C=CCCCC(=O)N[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F 499432852 DRNXZLGFHQYMTF-STQMWFEESA-N 313.363 4.670 30 20 DJED Cc1c(C#N)cccc1NCc1cnc(-c2cccs2)s1 500752110 OKTSEESZVAJZTE-UHFFFAOYSA-N 311.435 4.664 30 20 DJED C=C(C)CCc1noc([C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)n1 508597162 WFNFPQHALRXLTB-UONOGXRCSA-N 322.330 4.868 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 535475389 MJQORCRYUQWVTA-ZDUSSCGKSA-N 310.784 4.510 30 20 DJED C=CCCC[C@@H](C)NC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 539388031 HUEOENLKAFGKSV-CHWSQXEVSA-N 323.506 4.546 30 20 DJED CCSc1cccc(NC(=O)c2ccc(C#N)c(Cl)c2)c1 547955649 DMUAVBWDRXGTJQ-UHFFFAOYSA-N 316.813 4.576 30 20 DJED CC(C)(C#N)CCSCc1ccc(F)c(Br)c1 564752792 TUGLIBFUVXTBIN-UHFFFAOYSA-N 316.239 4.761 30 20 DJED N#CCc1ccc(NC(=O)c2ccc(C3CCCC3)cc2)cc1 576268142 IAEIYFNOPIQKRM-UHFFFAOYSA-N 304.393 4.663 30 20 DJED Cc1ccccc1[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)C(C)C 584142879 XNNLOTNXTMMIIQ-RTWAWAEBSA-N 304.437 4.841 30 20 DJED CC(C)N(C(=O)C[C@H](CC#N)c1ccccc1)c1cccc(F)c1 598881648 DUZDTBSDLBQBSH-KRWDZBQOSA-N 324.399 4.655 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1cccc(OC(C)C)c1 603849918 MLUGLAAYKGBHQI-UHFFFAOYSA-N 322.452 4.758 30 20 DJED C=CCCCCCN(C)C(=O)c1ccc(OC)c2ccccc12 606814664 PPRHJIPWPRXAEA-UHFFFAOYSA-N 311.425 4.667 30 20 DJED C=CCCCCCN(C)C(=O)c1cc2ccccc2cc1OC 606816879 UOWPHQZIZKURCY-UHFFFAOYSA-N 311.425 4.667 30 20 DJED CCCC[C@@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 619691739 GDAXJDMTGJNTFX-CQSZACIVSA-N 323.396 4.510 30 20 DJED C=CCN(C(=O)Nc1ccc(-c2ccccc2)cc1F)C1CC1 678527707 HZLHOCLHCYMRRA-UHFFFAOYSA-N 310.372 4.675 30 20 DJED O=C(/C=C/c1cccc(Cl)c1Cl)c1ccc(O)c(F)c1 728438387 DXVUZNSPZBVPSA-GQCTYLIASA-N 311.139 4.734 30 20 DJED CCCCCCCCCNC(=O)N1CC[C@@H](c2ccco2)C1 732443661 JUNITWJHAFZXKJ-MRXNPFEDSA-N 306.450 4.529 30 20 DJED Oc1ccc(Cl)cc1C=Nc1ccc(OCC2CC2)cc1 733081293 UGXAQYLSECEHGA-UHFFFAOYSA-N 301.773 4.585 30 20 DJED CCOc1cccc(C=Nc2cccc(SCC)c2)c1O 733749828 AUSDXPBJUAFLTK-UHFFFAOYSA-N 301.411 4.654 30 20 DJED COc1ccc(C(C)=NNc2cccc3ccccc23)c(F)c1 747060513 UQUXGUXQLUGISD-UHFFFAOYSA-N 308.356 4.824 30 20 DJED CCCCCCC[S@](=O)Cc1coc(-c2ccc(C)cc2)n1 764456232 XIKNJMLMIGDGRP-QFIPXVFZSA-N 319.470 4.869 30 20 DJED Cc1ccc2sc(-c3ccc(N(C)CCC#N)cc3)nc2c1 916854397 IVFDFEZMAQCNJT-UHFFFAOYSA-N 307.422 4.622 30 20 DJED Cc1cccc2oc(C(=O)O[C@@H](C)c3cccc(C#N)c3)cc12 1127021621 NRYHDHWESZZFCG-ZDUSSCGKSA-N 305.333 4.531 30 20 DJED CC(C)[C@H]1CN(Cc2ccc(C#N)cc2Cl)c2ccccc21 1169908610 RQNBBBZSNIYWDF-QGZVFWFLSA-N 310.828 4.971 30 20 DJED CC1(C)CCC(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 1191156425 LBEARDAEKFBENS-VQTJNVASSA-N 310.485 4.975 30 20 DJED CC(C)(CC#N)CN[C@H]1CC=C(c2ccc(Cl)cc2)CC1 1308812349 UFXHXIHBTKZSCA-KRWDZBQOSA-N 302.849 4.805 30 20 DJED CC(C)c1ccc(/C=C\CC(=O)N2CCCC(C)(C)[C@H]2C#N)cc1 1459843302 WTLFLJKQOWDGPO-SUOMESGTSA-N 324.468 4.754 30 20 DJED CC(C)(C)[C@H]1CN(CCOc2ccccc2C#N)c2ccccc21 1460029505 MSIBIVOVWBTPRA-SFHVURJKSA-N 320.436 4.587 30 20 DJED CC(C)Cc1ccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1 1461076584 AMHSNGBSZQPZQJ-MRXNPFEDSA-N 320.436 4.590 30 20 DJED Cc1ccc(C2=CCN(c3ncc(Cl)c(C)c3C#N)CC2)cc1 1472677227 LHSXWNYIVNAHKD-UHFFFAOYSA-N 323.827 4.517 30 20 DJED CCC[C@H]1CCc2ccccc2N1C(=O)c1cc(C#N)ccc1C 1517349488 LIHVOTNQCKZHAY-SFHVURJKSA-N 318.420 4.628 30 20 DJED C[C@@H](OC(=O)CC(C1CCC1)C1CCC1)c1cccc(C#N)c1 1525572538 XBTRZROZXAUDDE-CQSZACIVSA-N 311.425 4.769 30 20 DJED C[C@H]1CCCCN1Cc1ccc(Nc2cccc(F)c2C#N)cc1 1559071786 BIZINXAHHOPKFW-HNNXBMFYSA-N 323.415 4.815 30 20 DJED CCCOc1ccc(CNc2cc(C#N)ccc2OCC)c(C)c1 1560497316 KOYDFRMMFZTRAZ-UHFFFAOYSA-N 324.424 4.666 30 20 DJED Cc1cc(CN[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)ccc1C#N 1620971512 PHEQVNVIPHDZIN-YLJYHZDGSA-N 324.855 4.946 30 20 DJED CCCC[C@@H](CCC)CNc1ncc(Br)cc1C#N 1639610778 NCGBBNJUVZCCJP-GFCCVEGCSA-N 324.266 4.734 30 20 DJED CC(C)(C#N)CCN[C@@H](CCc1ccccc1)c1ccccc1 1642461591 PEMWCYJNDDYNCD-FQEVSTJZSA-N 306.453 4.890 30 20 DJED C[C@@H](NCCc1ccc(C#N)cc1)c1cc(Cl)ccc1Cl 1642795170 OQHGZWMVDWTMKZ-GFCCVEGCSA-N 319.235 4.758 30 20 DJED N#Cc1cc(Cl)ccc1CS[C@H]1CCOc2ccccc21 1643774945 DEBIDETZNOKMRG-KRWDZBQOSA-N 315.825 4.969 30 20 DJED N#Cc1ccc(CN[C@H]2CCCC[C@@H]2Cc2ccccc2)c(F)c1 1649084107 KKUCBOZCSDKTEJ-NQIIRXRSSA-N 322.427 4.588 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@@H]1CCCCC1(F)F 1652554759 JHMBMJBYVGJCGT-RCCFBDPRSA-N 318.411 4.584 30 20 DJED COc1cc(C#N)ccc1CN1CCC[C@@H]1c1cc(C)ccc1C 1657792829 TUFQABOXIPANOC-HXUWFJFHSA-N 320.436 4.521 30 20 DJED N#Cc1ccc(CN[C@@H]2CCC[C@@H]2Cc2ccccc2)cc1Cl 1657885727 BHLSNHKTUQFSMG-YLJYHZDGSA-N 324.855 4.713 30 20 DJED CC(C)[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1 1658042651 HPYZPJYGUSUNPF-OLMNPRSZSA-N 304.865 4.752 30 20 DJED CC(C)N(CCC#N)CC(Cc1ccccc1)Cc1ccccc1 1658939744 BLMJORHLSSOKGO-UHFFFAOYSA-N 320.480 4.712 30 20 DJED CC1CCC(C)(CNC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1667342373 ZQMTWFUYVBYOSY-UHFFFAOYSA-N 319.836 4.550 30 20 DJED C[C@H](NCc1cc(Cl)ccc1Cl)c1ccc(C#N)cc1 87758762 HEKBNUUCABSCPO-NSHDSACASA-N 305.208 4.716 30 20 DJED Cc1ccc(Nc2nnc(SCCCCC#N)s2)cc1C 136016079 SZBHHBLLHWPEDC-UHFFFAOYSA-N 318.471 4.685 30 20 DJED Cc1ccccc1[C@H](C)CC(=O)N[C@H](CCC#N)c1ccccc1 153734253 UBDGHJUGAWVXGX-YLJYHZDGSA-N 320.436 4.650 30 20 DJED N#Cc1cccc(CNCc2cc(C(F)(F)F)ccc2Cl)c1 159968681 JQRFFSNTGRNCNS-UHFFFAOYSA-N 324.733 4.520 30 20 DJED N#Cc1ccsc1NC(=O)CCCCCc1ccc(F)cc1 186075993 WZHHPRQVAQRKGG-UHFFFAOYSA-N 316.401 4.500 30 20 DJED C[C@H](NCc1ccc(C(C)(F)F)cc1)c1ccc(C#N)c(F)c1 293784228 TWSLMUOAPDFNTH-LBPRGKRZSA-N 318.342 4.660 30 20 DJED CCCCCCCC(=O)N(Cc1cccnc1)Cc1ccco1 298186991 KRZVMPQBURWUQR-UHFFFAOYSA-N 314.429 4.564 30 20 DJED N#Cc1cc(Br)ccc1CSc1cccc(F)c1 311208054 NSJDJFPULZLFPQ-UHFFFAOYSA-N 322.202 4.752 30 20 DJED CC(C)[C@@H]1CCC[C@@H](Nc2ccc(C#N)c(Br)c2)C1 312034725 ZHCXWHHZSLOBCS-TZMCWYRMSA-N 321.262 4.947 30 20 DJED CCC(C#N)(CC)C(=O)Nc1ccc(OCc2ccccc2)cc1 384093041 VMYGJVNFRDWQKY-UHFFFAOYSA-N 322.408 4.534 30 20 DJED C=CC[C@H](C(=O)NCC[C@H](C)c1ccccc1)c1ccccc1 410218757 KKQJYNSAKYGJEJ-PXNSSMCTSA-N 307.437 4.656 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)NCC(C)(C)C(C)(C)C)cc1 432696408 CFKMHVFYKUHILN-UHFFFAOYSA-N 315.461 4.682 30 20 DJED CCCOc1ccc(CN[C@@H](CC)c2ccc(C#N)cc2)cc1 447534100 ZWRIQXAWKUEPGS-FQEVSTJZSA-N 308.425 4.588 30 20 DJED C[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl 447620311 OSARPHLFEJZBBI-JTQLQIEISA-N 319.191 4.759 30 20 DJED C[C@@H](N[C@@H]1CCCc2c(F)cc(F)cc21)c1cccc(C#N)c1 453240399 UELCKMMAEGZNOF-CWTRNNRKSA-N 312.363 4.565 30 20 DJED N#Cc1c(NC(=O)c2cccc3ccsc23)sc2c1CCC2 464565492 BJDXHXFCHQETLO-UHFFFAOYSA-N 324.430 4.575 30 20 DJED C=C[C@@](C)(CC)C(=O)N(C)Cc1cccc(Cl)c1Cl 467430753 XCBRJORAGCHRMQ-HNNXBMFYSA-N 300.229 4.554 30 20 DJED CC(C)(C)OCCCCSc1nc2c(cc1C#N)CCCC2 473791776 VMWNPBVWFRQXFD-UHFFFAOYSA-N 318.486 4.519 30 20 DJED C=CCN(Cc1nc(-c2ccccc2Cl)cs1)C1CC1 480877753 JFTMPQXFQFGRTF-UHFFFAOYSA-N 304.846 4.614 30 20 DJED C=CCC[C@@H](C(=O)Nc1ncc(Cl)cc1C)c1ccccc1 485100532 BIJJTLVCINJMMO-MRXNPFEDSA-N 314.816 4.732 30 20 DJED Cc1ccccc1COc1cccc(Nc2ccc(C#N)cn2)c1 495368666 JHUZIMOTLJWBPV-UHFFFAOYSA-N 315.376 4.584 30 20 DJED CN(Cc1cccc(C#N)c1)Cc1ccc(Oc2ccccc2)o1 507621531 OTVHRZYEUYNRRX-UHFFFAOYSA-N 318.376 4.576 30 20 DJED CCCN(Cc1ccc(C#N)s1)[C@H](C)c1ccccc1OC 508625824 ROGIJAAEZYZLDH-CQSZACIVSA-N 314.454 4.602 30 20 DJED CC1(CC(=O)Nc2cccc(OCCCC#N)c2)CCCCC1 509694878 VIQIGFYHJUSSTN-UHFFFAOYSA-N 314.429 4.668 30 20 DJED CC[C@H](Nc1c(F)cc(C#N)cc1F)c1ccc(F)cc1F 523087436 DZBUENMOYNRQIC-HNNXBMFYSA-N 308.278 4.678 30 20 DJED Cc1nc(C(C)C)ccc1COc1ccc(C#N)cc1Cl 549036005 LVJFZJIDXMOMQK-UHFFFAOYSA-N 300.789 4.618 30 20 DJED N#CCCC1CCN(C(=O)c2cscc2-c2ccccc2)CC1 563188539 NJBJXPWUAPJFQL-UHFFFAOYSA-N 324.449 4.571 30 20 DJED Cc1nsc(Nc2ccc3nc(C(F)F)sc3c2)c1C#N 576856227 QTNAEHUUCDGDHX-UHFFFAOYSA-N 322.365 4.614 30 20 DJED CC(C)c1ccc(CC2CCN([C@H]3CC[C@@H](C#N)C3)CC2)cc1 583825136 DRGICLXIAVHARB-CTNGQTDRSA-N 310.485 4.757 30 20 DJED CCc1c(C)sc(NC(=O)c2cc3cccc(C)c3o2)c1C#N 609031775 VTQJZWIHEOZHQI-UHFFFAOYSA-N 324.405 4.798 30 20 DJED C=CCC1(C(=O)N2C[C@H](C(F)(F)F)CC[C@H]2C)CCCCC1 660109094 YGAVBWZQEROWKK-ZIAGYGMSSA-N 317.395 4.702 30 20 DJED C=C[C@H](CC(=O)Nc1cccc2ccncc12)c1ccccc1 677565360 KJHNWSDHTVJBMD-OAHLLOKOSA-N 302.377 4.533 30 20 DJED CCc1cccc2c(/C=C3/CCOc4ccccc4C3=O)c[nH]c12 728441596 MPDGZKRLILIRAR-QINSGFPZSA-N 317.388 4.779 30 20 DJED N#C[C@H](C(=O)CCC1CCCC1)c1nc2cc(F)ccc2s1 730417119 KYEGREYEOQDDRN-CYBMUJFWSA-N 316.401 4.582 30 20 DJED N#CCOc1ccc(CN2CCCCC[C@H]2c2ccccc2)cc1 731211340 HDUVFECQVCJJIM-NRFANRHFSA-N 320.436 4.706 30 20 DJED C=CCOCCCC(=O)OCc1sc2ccccc2c1Cl 744049979 AWHUOIKXPKCLBU-UHFFFAOYSA-N 324.829 4.581 30 20 DJED FC(F)(F)c1ccc(CON=Cc2ccc(Cl)cc2)cc1 749253867 CCHBCGAOMOAPAN-UHFFFAOYSA-N 313.706 4.910 30 20 DJED CC(=NOCC(F)(F)F)c1ccc(Cl)c(C(F)(F)F)c1 754711136 MPTLIJRAMGRPAU-UHFFFAOYSA-N 319.632 4.662 30 20 DJED C=CC[C@@H](N[C@H](C)c1cccc(OC(F)F)c1)c1ccncc1 766021459 TWRQRUHYNMQBGE-CXAGYDPISA-N 318.367 4.651 30 20 DJED O=C(/C=C/c1ccccc1F)c1ccc(Br)cc1F 767736119 OXOGBPYZRPDDLT-VMPITWQZSA-N 323.136 4.623 30 20 DJED CCC(=NNc1ccc(Cl)nc1)c1c(F)cccc1Cl 767787198 FYGWDOZHDHMWSN-UHFFFAOYSA-N 312.175 4.754 30 20 DJED CC/C(C)=C(\C)C(=O)Nc1ccccc1S[C@H](C)CC#N 779932267 ZBBMCHPVLCZMEL-MNWMYKRDSA-N 302.443 4.766 30 20 DJED O=C1/C(=C\c2scnc2C2CC2)[C@@H]2CCCc3cccc1c32 782351276 JEEKCIYQDAOFBJ-GRRFOWRYSA-N 307.418 4.720 30 20 DJED CCc1cc(C)cc(CC)c1NC(=O)/C=C/c1ccccc1C#N 797361149 OEXNJUZAHSRTPX-ZHACJKMWSA-N 318.420 4.643 30 20 DJED CC(C)[C@H](Nc1nc(Cl)c(C#N)s1)c1ccc(F)cc1 804333294 XRMWQLMWCJTUEF-LBPRGKRZSA-N 309.797 4.616 30 20 DJED Cc1csc(NC(=O)c2cc3cccc(Cl)c3o2)c1C#N 809003258 SUBANLMUBUJKBS-UHFFFAOYSA-N 316.769 4.580 30 20 DJED C#CCC1(c2nc(-c3cccc4ncccc34)no2)CCCCC1 809498358 JPZHRFDCBJMRPN-UHFFFAOYSA-N 317.392 4.510 30 20 DJED C=CC[C@H](NC(=O)c1ccc(C2CCCC2)cc1)c1ccncc1 810408763 RUWQZHFUJZVFFN-FQEVSTJZSA-N 320.436 4.786 30 20 DJED Fc1ccccc1CC(Cc1ccccc1F)=NOCC1CC1 814243302 PJRGTRSEMRSGHR-UHFFFAOYSA-N 315.363 4.533 30 20 DJED CCCOc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1OC 858606014 ZGJULATZGPXLRA-AWEZNQCLSA-N 310.397 4.529 30 20 DJED C=CCn1c(SCCCCCCC)nnc1-c1ccncc1 915790664 FVVLIUOMCBTTEL-UHFFFAOYSA-N 316.474 4.589 30 20 DJED COc1ccc(C#N)cc1COc1c(Cl)ccc2ccccc12 1166666759 NPULESPVBXNAHQ-UHFFFAOYSA-N 323.779 4.952 30 20 DJED Cc1ccc(CC2CCN(Cc3ccc(C#N)s3)CC2)cc1C 1170827794 XDEBPWHTEZRWIO-UHFFFAOYSA-N 324.493 4.691 30 20 DJED Cc1cc(N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)ncc1C#N 1184915632 AIZKTVGYLCWFMZ-IBGZPJMESA-N 319.452 4.901 30 20 DJED Cc1ccc([C@@H]2C[C@H](C)N(Cc3ccc(C#N)c(C)c3)C2)cc1 1308723153 FJPDNCLXIBDKEF-LAUBAEHRSA-N 304.437 4.553 30 20 DJED CCc1c(C(=O)O[C@@H](C)c2ccc(C#N)cc2)oc2ccccc12 1354917250 CSZBIAYTFIRAHQ-ZDUSSCGKSA-N 319.360 4.785 30 20 DJED N#C[C@@H]1CCC[C@@H](OC(=O)c2sc3ccccc3c2Cl)C1 1436647191 ABUATMGCPUGZJE-GHMZBOCLSA-N 319.813 4.794 30 20 DJED CC1(C)CCC[C@@H](CNc2nc(C(F)(F)F)ccc2C#N)C1 1458430598 GQVSJWJMOGAHCC-LLVKDONJSA-N 311.351 4.600 30 20 DJED Cc1cccc(C)c1CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 1459534734 XTDFJROEICICMO-TZIWHRDSSA-N 304.437 4.575 30 20 DJED CC(C)[C@H](Cc1ccccc1)NCc1ccc(Cl)cc1C#N 1460774608 JDMGGUNHJMGCDK-IBGZPJMESA-N 312.844 4.569 30 20 DJED CCN(CCCc1cccc(C)c1)[C@@H](C)c1ccc(C#N)cc1 1473118053 URMVHZFZIJKWQH-SFHVURJKSA-N 306.453 4.882 30 20 DJED N#Cc1cc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)cs1 1535226624 SPIIGTUZPHPEER-MRXNPFEDSA-N 316.470 4.585 30 20 DJED CCCCc1ccc([C@H](Nc2cc(C#N)cnn2)C(C)C)cc1 1559055815 DWRLNKYWFZMMOF-LJQANCHMSA-N 308.429 4.500 30 20 DJED C=C(Br)CN(CC(C)C)c1cccc(Cl)c1 1617924021 BGWWQXPNDSWWNO-UHFFFAOYSA-N 302.643 4.711 30 20 DJED CCOc1ccc(C#N)cc1N[C@@H]1CC[C@H](Cc2ccccc2)C1 1621238965 JHENNUHGROMBFX-IEBWSBKVSA-N 320.436 4.780 30 20 DJED Cc1c(Cl)cnc(NC2CCC(C3CCC3)CC2)c1C#N 1642957466 BWCANFHDOBCTRI-UHFFFAOYSA-N 303.837 4.686 30 20 DJED Cc1nc(N[C@@H]2c3ccccc3CC[C@@H]2C)c(Cl)cc1C#N 1650911849 BBSLLJYTBCWWTG-GTNSWQLSSA-N 311.816 4.651 30 20 DJED Cc1ccnc(N[C@H](C)c2ccc(Cl)c(Cl)c2)c1C#N 1651039536 VVBIHJXBDVJXJI-SNVBAGLBSA-N 306.196 4.742 30 20 DJED Cc1ccnc(N(Cc2cccc(Cl)c2)CC(C)C)c1C#N 1652076579 IWWTWMQXKFIVDZ-UHFFFAOYSA-N 313.832 4.578 30 20 DJED COc1cc(CSc2ccc(C#N)c(C)c2)ccc1SC 1652912993 XROOXFJWTZFQPE-UHFFFAOYSA-N 315.463 4.890 30 20 DJED CC(C)N(CC/C=C/c1ccccc1)Cc1ccc(C#N)cc1 1653247539 DWDHIUGVTDOROY-UXBLZVDNSA-N 304.437 4.872 30 20 DJED Cc1cc(CN(C)Cc2csc3ccccc23)ccc1C#N 1658532625 YBAYLVYJZZKKRX-UHFFFAOYSA-N 306.434 4.713 30 20 DJED Cc1c(NN=CC2CCC(C(C)C)CC2)cccc1C(=O)O 1776088243 ZRJLKEFLGZIOLG-UHFFFAOYSA-N 302.418 4.553 30 20 DJED C=CC[C@]1(C(=O)O)CCCN(CC2CCC(C(C)(C)C)CC2)C1 1776153645 QJWINBWZXUOONR-UHYCVJNDSA-N 321.505 4.582 30 20 DJED Cc1ccc(-n2c(-c3ccccc3)cnc2S[C@H](C)C#N)cc1 22333971 TYSHOCXHKGNNOL-OAHLLOKOSA-N 319.433 4.852 30 20 DJED C[C@H](Nc1ccc(Br)c(F)c1)c1ccc(C#N)cc1 88083620 YSGREOZBZDMBHN-JTQLQIEISA-N 319.177 4.633 30 20 DJED CC(C)(C#N)CCCNc1ccc(Cl)c(Br)c1 94670342 LRPJDHWPMOCFMM-UHFFFAOYSA-N 315.642 4.844 30 20 DJED Cc1cccc(NC(=O)[C@H](C)S[C@H](C)c2ccc(C#N)cc2)c1 118444699 FKIZJPZBUKZXRQ-CABCVRRESA-N 324.449 4.688 30 20 DJED CCCC(C#N)(CCC)NC(=O)[C@@H](C)c1cc2ccccc2o1 121849506 GTRFBBNSLLTBGH-AWEZNQCLSA-N 312.413 4.515 30 20 DJED C[C@H](c1ccco1)N(Cc1ccccc1C(C)(C)C#N)C1CC1 135282687 WVQWSSDTLLDPTB-OAHLLOKOSA-N 308.425 4.806 30 20 DJED C=CCC[C@H](NC(=O)N[C@H](CC)c1ccncc1)c1ccccc1 160374300 GRQFDKCTVPPINN-MOPGFXCFSA-N 323.440 4.539 30 20 DJED CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2cc(C)ccc2C)c1 160921638 PUCCLGCWMIBMFM-MJGOQNOKSA-N 322.452 4.835 30 20 DJED C[C@@H](CNCC(C)(C)CCC#N)c1ccc(C(F)(F)F)cc1 191156624 GIVBBMJEUPHICH-ZDUSSCGKSA-N 312.379 4.728 30 20 DJED N#Cc1ccc(CNc2cccc(Cl)c2Br)cc1 236052039 WVVCKQJIYZTIRN-UHFFFAOYSA-N 321.605 4.586 30 20 DJED C[C@H](c1ccc(C#N)cc1)N(C)CCc1cccc2ccccc12 303697395 NLBZNZAABRIWOL-QGZVFWFLSA-N 314.432 4.947 30 20 DJED C[C@H](CC(O)=Nc1scnc1C1CC1)/N=C(/O)C1CCCC1 328926184 OPNKPJQJWSUWNI-SNVBAGLBSA-N 321.446 4.534 30 20 DJED CCCc1cccc(C(C)C)c1N/C(O)=N/[C@@H]1CC[C@@H](OC)C1 330991218 RXXBGJMDCINLFE-HZPDHXFCSA-N 318.461 4.656 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCc2cc(F)ccc21 341897188 QMICHDONQJNZCM-LEWJYISDSA-N 320.411 4.742 30 20 DJED CC[C@@H](c1ccc(F)cc1)[S@@](=O)CCC1(C#N)CCCCC1 417143210 GOVXNBBMOOHOCU-JTSKRJEESA-N 321.461 4.890 30 20 DJED Cc1cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)sc1C 430641263 INLNDBVAXRAEPD-NSHDSACASA-N 318.467 4.609 30 20 DJED CC(C)(C#N)CCCN1CCC[C@@H](Oc2ccccc2Cl)C1 443651345 JQMYPIJOEYJJPU-OAHLLOKOSA-N 320.864 4.513 30 20 DJED C=CCC1(NC(=O)CCc2cncc3ccccc23)CCCCC1 456361601 FZZIHJWVMAVWSM-UHFFFAOYSA-N 322.452 4.563 30 20 DJED Cc1c(C(=O)N(C)c2ccc(C#N)cc2)oc2c(Cl)cccc12 461533792 NBZXLLSYZAASMW-UHFFFAOYSA-N 324.767 4.543 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C)cc(F)c1 463460292 FUSRYTQTXMSVSM-UHFFFAOYSA-N 323.820 4.677 30 20 DJED C=CCOCCCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H](C)CC 464002644 FEYMAILAWQMQRM-RDTXWAMCSA-N 323.864 4.526 30 20 DJED C=CC[C@@H](CC)NC(=O)CCOc1ccccc1-c1ccccc1 466529049 JOJOASKSRKPGTG-GOSISDBHSA-N 323.436 4.593 30 20 DJED C=C(C)CN(C)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 477505091 ABNRAWJJVVSLAH-UHFFFAOYSA-N 322.836 4.701 30 20 DJED N#Cc1cccnc1/C=C\c1ccc(-c2cccc(F)c2F)o1 486052708 KDCUVEZURIHVGV-VURMDHGXSA-N 308.287 4.662 30 20 DJED C=CCC[C@@H](NC(=O)N1CC2(CCCCC2)C1)c1ccccc1 514892985 AEAWOAHHEFREAB-GOSISDBHSA-N 312.457 4.670 30 20 DJED Cc1ccc(-c2ccc(CN3CCC(CC#N)CC3)s2)cc1 541921543 LPYCPFYCTWWURD-UHFFFAOYSA-N 310.466 4.849 30 20 DJED CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 542554454 ICLCLLDVQNSPSN-OAHLLOKOSA-N 318.848 4.500 30 20 DJED CC(C)(C)c1ccccc1NC(=O)c1ccc(C#N)c(Cl)c1 548278682 CDPIPKBHILTLLL-UHFFFAOYSA-N 312.800 4.761 30 20 DJED CC[C@H](C)n1c(S[C@@H](C)CCC#N)nnc1-c1ccccc1 551423458 GTVNRLZMYQDUOF-KBPBESRZSA-N 314.458 4.700 30 20 DJED CCCN(Cc1ccc(C#N)cc1)[C@@H](C)c1cc(F)ccc1F 558061860 NTVZRXOTJFWJJQ-AWEZNQCLSA-N 314.379 4.810 30 20 DJED CC(C)(C)c1cc(NC(=O)c2ccsc2Cl)c(C#N)s1 598824605 FBDBKMPPRHIJGC-UHFFFAOYSA-N 324.858 4.884 30 20 DJED N#Cc1cccc(CNc2ccc(SC3CCCC3)cc2)n1 602487729 NXPXYNYJSXDYHE-UHFFFAOYSA-N 309.438 4.600 30 20 DJED CC(C)(C#N)c1ccccc1CNC1(c2ccc(F)cc2)CCC1 610859212 GWNPGTNLSOYNHV-UHFFFAOYSA-N 322.427 4.796 30 20 DJED C[C@@H](NCc1ccc(F)c(Cl)c1Cl)c1cccc(C#N)c1 617791939 GFNIIJHFCUWIIG-SNVBAGLBSA-N 323.198 4.855 30 20 DJED O=C1/C(=C\c2cccc(OC(F)F)c2)CCc2sccc21 726889344 BWSYDGLJHFHRMJ-FLIBITNWSA-N 306.333 4.562 30 20 DJED COc1ccc(/C=C/C(=O)C2CCCCC2)c(Cl)c1OC 730435135 XPZNULAMSBZIPM-CSKARUKUSA-N 308.805 4.520 30 20 DJED C#Cc1cccc(N(CC)C(=O)C[C@H](C)c2ccccc2C)c1 734772530 PKXMOIIZFBAWJT-KRWDZBQOSA-N 305.421 4.523 30 20 DJED CCCCC[C@H](C)CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 744159890 HVWDCZHERHYXCL-ZFWWWQNUSA-N 311.429 4.654 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc(Br)c(C)c2)o1 746394927 UEOCITUPRAAHOL-ALCCZGGFSA-N 305.171 4.555 30 20 DJED N#Cc1ccc(/C=C2\Cc3c(ccc(Cl)c3Cl)C2=O)s1 748997318 INERCPVRERQYHV-VMPITWQZSA-N 320.200 4.749 30 20 DJED C=C[C@H](CC(=O)N(CCC#N)c1ccc(C)cc1)c1ccccc1 758817182 PBUHEJKRVIADAO-GOSISDBHSA-N 318.420 4.602 30 20 DJED Cc1ccccc1[C@H](NCc1ccc(OCC#N)cc1)C(C)(C)C 775465555 XVGGDQVJVPXWQQ-FQEVSTJZSA-N 322.452 4.774 30 20 DJED C#CCCCCCC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 777211459 ZVMMZUOGBIQHFJ-PWRODBHTSA-N 323.480 4.755 30 20 DJED CCCCCCCCCCC(=O)N1CCC[C@@H]1c1ncc[nH]1 777454112 IFVVBJJDDRNSIM-MRXNPFEDSA-N 305.466 4.604 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1CCC(c2ccc(F)cc2)CC1 782181150 DNPVWOSWLXLPSZ-HNNXBMFYSA-N 308.400 4.638 30 20 DJED C=CC[C@H](N[C@@H]1CC[C@@](C)(c2ccccc2)C1)c1ccncc1 783247436 WXVRRQVLICPABN-QHAWAJNXSA-N 306.453 4.799 30 20 DJED CN(c1ccccc1)c1ccc(/C=C\C(=O)c2ccsc2)cn1 797787886 FNNDSDPQKOFJOA-CLFYSBASSA-N 320.417 4.807 30 20 DJED FC(F)(F)c1ccc([C@H]2CCC(=NNc3ccccn3)C2)cc1 799470335 URUJVWTUJBGQBY-ZDUSSCGKSA-N 319.330 4.836 30 20 DJED C=C1CCC(C(=O)Nc2ccc(F)cc2C(F)(F)F)CC1 888782645 CLBWVPWTZIVBTA-UHFFFAOYSA-N 301.283 4.529 30 20 DJED CC(=NNc1ccc(Cl)c(Cl)c1)c1cc(F)ccc1O 916581260 WIBRAHZSHVSVAE-UHFFFAOYSA-N 313.159 4.674 30 20 DJED CC[C@H]1CN(Cc2ccc(F)cc2C#N)CC[C@H]1c1ccccc1 1167603770 ZLQHUKBGWKMLOK-HRAATJIYSA-N 322.427 4.713 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1NC[C@H]1C[C@H]2CC[C@H]1C2 1186112479 MPPYTXUDJYGJJW-RWMBFGLXSA-N 311.816 4.608 30 20 DJED Cc1cc(CNCc2ccccc2OCCC(C)C)ccc1C#N 1200293957 VGICJVUZUZWQJP-UHFFFAOYSA-N 322.452 4.581 30 20 DJED C[C@H](CC(=O)N[C@H]1CCCc2cc(C#N)ccc21)CC(C)(C)C 1276284468 SWMMRCLOLZQAPS-KDOFPFPSSA-N 312.457 4.514 30 20 DJED CC[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(F)cc1C#N 1307502314 YDHPBHUVUXPRBV-NHCUHLMSSA-N 322.427 4.856 30 20 DJED CC(=NNc1ccc(C)c(Cl)c1)c1c(C)nn(C(C)C)c1C 1318054278 JYTQIJDVZJGAFV-UHFFFAOYSA-N 318.852 4.879 30 20 DJED CCC[C@@H](Nc1ccc(OCC#N)cc1)c1ccc(OC)cc1 1319974805 UWGUVYRAQIXCKJ-LJQANCHMSA-N 310.397 4.551 30 20 DJED N#C[C@@H]1CCC[C@@H](Nc2ccc(SC(F)(F)F)cc2)C1 1320268462 XQIXSGUHZYQEQO-ZYHUDNBSSA-N 300.349 4.793 30 20 DJED C=CCC[C@H](C(=O)Nc1ccc(C)nc1Cl)c1ccccc1 1337645118 IIYJESNGXQRZRB-HNNXBMFYSA-N 314.816 4.732 30 20 DJED CCOc1ccc(C#N)cc1NC(=O)C(CC(C)C)CC(C)C 1355574104 FBVRSWICXSAVQB-UHFFFAOYSA-N 316.445 4.604 30 20 DJED CC(C)CCC[C@@H](C)N(CCC(C)C)C(=O)NCC(C)(C)C#N 1469753145 LFHQQLUCVQWVQO-QGZVFWFLSA-N 323.525 4.809 30 20 DJED N#Cc1ccc(CCN[C@H](c2ccccc2F)C2CCCC2)cc1 1473310012 UTMOVLCMUCMCEB-NRFANRHFSA-N 322.427 4.761 30 20 DJED CC(C)c1cccc2c1CCN([C@@H](C)c1ccc(C#N)cc1)C2 1473443841 SANXKNHGTIBHNT-INIZCTEOSA-N 304.437 4.801 30 20 DJED Cc1c([C@@H](C)NC(=O)c2ccc(C#N)cc2)sc2ccccc12 1536548906 RUSIFFHOMDQEQC-CYBMUJFWSA-N 320.417 4.572 30 20 DJED Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CC2(C#N)CCCCC2)C1 1538838047 YFBTVIRUBGYPOA-QZTJIDSGSA-N 324.468 4.564 30 20 DJED COc1cc(Cl)ccc1CSc1nc(C)cc(C)c1C#N 1559318546 USLVHOJVATVELB-UHFFFAOYSA-N 318.829 4.524 30 20 DJED CCCc1ccc(-c2ccc(NC(=O)NC[C@H](C)C#N)cc2)cc1 1562401687 DZKUYXWVWDYVHT-OAHLLOKOSA-N 321.424 4.587 30 20 DJED CC(C)c1ccc(SCC(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1 1584703685 WJRJGNZAAVODGH-GOEBONIOSA-N 317.454 4.528 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCC[C@@H](Cc2ccccc2)C1 1644544646 AUHUAFSQYGAMIL-KRWDZBQOSA-N 324.855 4.666 30 20 DJED N#Cc1nc(Sc2ccc3c(c2)CCCC3)sc1Cl 1651957656 QXFCQHGLCZOEJC-UHFFFAOYSA-N 306.843 4.698 30 20 DJED C[C@H](C[C@@H]1CCOC1)Nc1ccc(Oc2ccccc2)c(C#N)c1 1652269156 ACVCESYPSOQMIP-CVEARBPZSA-N 322.408 4.578 30 20 DJED CC[C@@H](CC#N)NCc1cccc(Oc2ccc(Cl)cc2)c1 1654664677 IHSAASDPFGZMRR-INIZCTEOSA-N 314.816 4.914 30 20 DJED CC(C)Oc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 78968517 UJAVHPTXOYSZOK-HZPDHXFCSA-N 308.425 4.757 30 20 DJED CC(C)(C)CCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 121811767 RNDFMTNWJMPHDM-CQSZACIVSA-N 312.438 4.813 30 20 DJED N#CCCCOc1cccc(N[C@H]2CCc3cc(F)ccc32)c1 179824624 UZGAUYNMYBMRIA-IBGZPJMESA-N 310.372 4.608 30 20 DJED N#C[C@@H]1CCC[C@@H](N[C@@H](Cc2ccccc2)c2cccs2)C1 248851900 OVWNQGPKHRLSBK-KURKYZTESA-N 310.466 4.704 30 20 DJED C[C@H](C#N)Oc1ccc(/C=C2\C(=O)c3ccccc3C2(C)C)cc1 255268956 TZAVYVWAOPKUME-ONDHQXCVSA-N 317.388 4.535 30 20 DJED Cc1ccccc1[C@H](Nc1snc(Cl)c1C#N)C(C)C 301947369 DBIOXDYQRIPYFD-CYBMUJFWSA-N 305.834 4.786 30 20 DJED Cc1nc(C2CC2)oc1C(O)=Nc1nc(CC(C)(C)C)cs1 329545283 ZINUZFQZSARKPS-UHFFFAOYSA-N 319.430 4.542 30 20 DJED N=C(O)[C@@H]1CCC[C@H](/C(O)=N/[C@@H]2CCCc3ccc(F)cc32)C1 330020498 AHKLJHMBGUMABW-DVOMOZLQSA-N 318.392 4.501 30 20 DJED N#C[C@@H]1CC[C@H](N[C@@H]2CCc3ccc(-c4ccccc4)cc32)C1 427864793 FZMHTGCCBFUIJN-MFMILTCTSA-N 302.421 4.623 30 20 DJED C=CC[C@H]1N(C(=O)Nc2c(C)cccc2F)CCCC1(C)C 444943397 PAAOXNZULDHUBT-OAHLLOKOSA-N 304.409 4.733 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1cscc1-c1ccccc1 464179565 BAMVZPCGXHPPDB-UHFFFAOYSA-N 318.401 4.848 30 20 DJED C=CCN[C@@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 486151698 VHNWOZZALNACJP-QGZVFWFLSA-N 321.342 4.579 30 20 DJED N#CCCCC(=O)Nc1ccc(Cl)cc1Nc1ccccc1 487475942 ATNMUOWFLJEALG-UHFFFAOYSA-N 313.788 4.716 30 20 DJED C=CCC[C@@H](C(=O)N(C)Cc1cccc(F)c1)c1ccccc1 487613925 FWRUOJCBYQXADB-LJQANCHMSA-N 311.400 4.534 30 20 DJED C=CC[C@H](C(=O)N[C@@H](C)[C@H](C)c1ccccc1)c1ccccc1 489699617 RIPQEPHVJXOUPJ-ZWOKBUDYSA-N 307.437 4.655 30 20 DJED C[C@@H](CN(CC#N)C1CCCC1)c1ccc(C(F)(F)F)cc1 500105510 VSTUANDQRVTSBL-ZDUSSCGKSA-N 310.363 4.577 30 20 DJED C=C(C)CN(CC)C(=O)Cc1csc2ccc(Cl)cc12 502309646 MBQAHVRQXODTRK-UHFFFAOYSA-N 307.846 4.522 30 20 DJED C=C[C@@H](CC(=O)N1CC[C@H](c2ccccc2C)C1)c1ccccc1 534694003 APERCNKHRVFMOH-ICSRJNTNSA-N 319.448 4.671 30 20 DJED C=C[C@@H](CC(=O)N(Cc1ccccc1)C1CC1)c1ccccc1 536087858 KJEVQWNXAUCRON-SFHVURJKSA-N 305.421 4.538 30 20 DJED N#C[C@@H]1CC[C@H](N[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 549997610 NHSWYEIGSTUNIN-ZCPGHIKRSA-N 322.374 4.623 30 20 DJED N#C[C@@H]1CC[C@@H](N2CCC[C@H](Cc3csc4ccccc34)C2)C1 569112369 AKIUUVQGQREHQY-JFIYKMOQSA-N 324.493 4.848 30 20 DJED C[C@H](N[C@H]1CC(C)(C)Oc2ccc(F)cc21)c1cccc(C#N)c1 593723205 SGMDAKSCGRWNQF-UGSOOPFHSA-N 324.399 4.650 30 20 DJED C=C1CCN(C(=O)c2ccccc2SCC=C(C)C)CC1 607339306 DQTOHRJMMSQXRR-UHFFFAOYSA-N 301.455 4.537 30 20 DJED C[C@H](Nc1ccccc1CC(F)(F)F)c1cccc(C#N)c1 611483260 VSBGZENXLDNCES-LBPRGKRZSA-N 304.315 4.836 30 20 DJED C=CCc1ccc(OCc2ncc(-c3ccccc3)o2)c(OC)c1 668630781 IBGFJYHHJWLMEV-UHFFFAOYSA-N 321.376 4.658 30 20 DJED CCc1oc2ccccc2c1C=NOCc1ccc(F)cc1C#N 728568845 VAYKAADDSRFLKP-UHFFFAOYSA-N 322.339 4.557 30 20 DJED CC1(c2ccccc2)CC(=NNc2ccc3ccccc3n2)C1 729632684 HBKLBXDTSRIZFB-UHFFFAOYSA-N 301.393 4.754 30 20 DJED CC(CSC(C)(C)C)=NNc1ccccc1Br 729635389 RAGQYITVQXMCRV-UHFFFAOYSA-N 315.280 4.769 30 20 DJED CC(=NNc1ccc(C)nn1)c1ccc(C2CCCCC2)cc1 729935726 MBNDGNCVCYWHEF-UHFFFAOYSA-N 308.429 4.669 30 20 DJED CCCCCCCC(=O)OCc1cnc(-c2cccs2)o1 739264700 ZIPLRZTXILRCFI-UHFFFAOYSA-N 307.415 4.807 30 20 DJED Clc1cc(Br)ccc1C=NNc1ccccc1 743419676 WWEFOCPWVXXIPF-UHFFFAOYSA-N 309.594 4.549 30 20 DJED O=C(/C=C\c1ccc(-c2cccc(F)c2)s1)c1cccnc1 750901539 UBDNNUMSAIZIJL-VURMDHGXSA-N 309.365 4.845 30 20 DJED C[C@H](NN=Cc1cnc(-c2cccs2)s1)c1ccccc1 751527150 VRJBCYVOJFLKQR-LBPRGKRZSA-N 313.451 4.556 30 20 DJED N#CC1(CN[C@@H]2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 754476629 NHAUNKLJOKBSCU-JKSUJKDBSA-N 322.374 4.625 30 20 DJED C#CC[C@H](NCc1cccc(-c2ccccn2)c1)c1ccccc1 756996542 GTELSWBOZOTFMR-NRFANRHFSA-N 312.416 4.603 30 20 DJED C=C(CN[C@H](C)c1cnn(-c2ccccc2)c1C)c1ccccc1 765414946 DFNOKGQVYPLLRV-QGZVFWFLSA-N 317.436 4.545 30 20 DJED C#CCCCSc1nnc(-c2ccco2)n1C1CCCCC1 766276302 PHRDREKLBGKLSF-UHFFFAOYSA-N 315.442 4.549 30 20 DJED CC(=NNc1cccc(C#N)c1)c1cc2cc(Cl)ccc2o1 767364579 ZQFRAWBUFOUOTI-UHFFFAOYSA-N 309.756 4.794 30 20 DJED Fc1ccc(C=NNc2ccc(OC(F)F)cc2)c(Cl)c1 767783221 RHKGXGDXWWEQNE-UHFFFAOYSA-N 314.694 4.527 30 20 DJED CC1(C)C(=NNc2ncnc3ccsc23)C[C@@H]1c1ccccc1 768481824 AYSQTFFMLRSVFL-CYBMUJFWSA-N 322.437 4.673 30 20 DJED O=C(/C=C/c1ccc(-c2cccc(F)c2F)o1)c1ccncc1 790209895 ARVIPYOZABGFNP-GQCTYLIASA-N 311.287 4.516 30 20 DJED FC(F)(F)C1CCC(C=NNc2cccc(Cl)n2)CC1 793175847 WOPVPKUOFMUUAK-UHFFFAOYSA-N 305.731 4.501 30 20 DJED C=CCCCCC[C@@H](C)Nc1ccc2c(c1)CCC(=O)N2C 793546276 WSHGUUMRXHEUIR-OAHLLOKOSA-N 300.446 4.533 30 20 DJED O=C1/C(=C\c2ccc(C(F)F)cc2)CSc2ccccc21 794934875 WPESQJFCTYCNMW-LCYFTJDESA-N 302.345 4.996 30 20 DJED C=CCC[C@@H](N[C@@H](C)c1cccc(OC)c1O)c1ccccc1 846156991 QYYILOQFUGFWAB-MAUKXSAKSA-N 311.425 4.759 30 20 DJED CCCCCCCC[C@@H](C)CC(=O)N1CCC[C@H]1c1ncon1 848115406 YCGATTPGHSHJNS-CVEARBPZSA-N 321.465 4.510 30 20 DJED C=C1CCC(C(=O)Nc2ccccc2CCC(F)(F)F)CC1 889472630 ZKTAACUMTQVTER-UHFFFAOYSA-N 311.347 4.866 30 20 DJED C=CCn1c(SCCCCCCC)nnc1-c1cccnc1 915793832 MIHCBJYQCBBFGE-UHFFFAOYSA-N 316.474 4.589 30 20 DJED Cc1cc(C)c(C#N)c(N[C@@H](C)c2ccc(OC(C)C)cc2)n1 1121017640 NLJPOPVYCBXOAC-HNNXBMFYSA-N 309.413 4.530 30 20 DJED C[C@@H](CNCC(C)(C)CC#N)Cc1ccc(C(C)(C)C)cc1 1178921953 KTLOLEIUSJXCIU-MRXNPFEDSA-N 300.490 4.692 30 20 DJED Cc1ccc(NCc2ccc(C#N)c(C)c2)cc1Br 1201141187 XSWBZSXNRYEPOU-UHFFFAOYSA-N 315.214 4.550 30 20 DJED CCC(CC)[C@@H](C)C(=O)Nc1scc(C(C)(C)C)c1C#N 1274511955 VATSTHYWAUQGID-LLVKDONJSA-N 306.475 4.928 30 20 DJED Cc1ccc(-c2nnc(-c3ccc(C#N)cc3)o2)c(Cl)c1C 1349933837 HRMWKPMUCGEDBX-UHFFFAOYSA-N 309.756 4.546 30 20 DJED N#Cc1ccc(NC(=O)c2ccc(-c3cccc(F)c3)s2)cc1 1355067294 UIWVBNRRFXBKCB-UHFFFAOYSA-N 322.364 4.678 30 20 DJED CCCCc1ccc(CC(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1 1515123166 CVOJVYXQQJHITA-INIZCTEOSA-N 321.420 4.748 30 20 DJED C[C@H](CC(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CCCCC1 1526287057 VUMCRMVQFALKKZ-CQSZACIVSA-N 315.461 4.660 30 20 DJED CCCC[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)C(C)C 1565591777 BWIYXKUJWZFPSY-KRWDZBQOSA-N 304.409 4.535 30 20 DJED N#Cc1ccc(CCN[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1 1621435085 PFNMRWHXGWGSJT-NHCUHLMSSA-N 310.485 4.829 30 20 DJED CC(C)(C)c1ccc(C#N)c(OCc2ccc(Cl)cc2F)n1 1644025532 LIHRBWSACPFZPB-UHFFFAOYSA-N 318.779 4.622 30 20 DJED N#Cc1cc(Cl)ccc1CSCc1cccc(F)c1F 1644220134 HJMGHIWKWZFFMA-UHFFFAOYSA-N 309.768 4.923 30 20 DJED Cc1cc(C#N)ccc1CN1CCc2ccccc2[C@@H]1C(C)C 1644778644 HWWXTAAHIRRXAH-NRFANRHFSA-N 304.437 4.622 30 20 DJED C[C@@H]1CCc2c(F)cccc2[C@@H]1Nc1nc(C#N)c(Cl)s1 1655211833 KPSMGPNYJQADRY-AMIZOPFISA-N 321.808 4.543 30 20 DJED Cc1nc(N[C@H](C)C2(c3ccccc3)CCCC2)ccc1C#N 1655385251 OOSZPICDIBPJQX-MRXNPFEDSA-N 305.425 4.574 30 20 DJED Cc1cc(C)c(C(=O)/C=C/c2ccc(C)c(C(=O)O)c2)cc1C 1776132780 FPGSRZJRDMGYAI-BQYQJAHWSA-N 308.377 4.515 30 20 DJED C=C(C)CN(CC)C(=O)Nc1cccc(-c2ccccc2OC)c1 111773681 UQPSMKFLCLVXJV-UHFFFAOYSA-N 324.424 4.792 30 20 DJED C[C@@H](NCCCCC#N)c1ccccc1OCc1ccccc1 178642763 FSYALFLRTHAMQY-QGZVFWFLSA-N 308.425 4.610 30 20 DJED C=CCC[C@@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccccc1 180046095 VAFZGEDDRREGET-QGZVFWFLSA-N 314.360 4.531 30 20 DJED C=CC[C@H](C(=O)Nc1cc(F)ccc1Cl)c1ccccc1 187548074 CCQCELZUHGKLKF-AWEZNQCLSA-N 303.764 4.778 30 20 DJED OC(C/N=C(/O)CC1CCCCC1)=Nc1scnc1C1CC1 328910349 FOOWXBAHWZYMAK-UHFFFAOYSA-N 321.446 4.535 30 20 DJED COc1cc(N=C(O)[C@@H]2CCC[C@H]3CCCC[C@H]32)ccc1O 329119663 VMEFWOOJTLRHDB-BPLDGKMQSA-N 303.402 4.595 30 20 DJED N#CCCSc1ccccc1NCc1nc(C2CC2)cs1 342428446 AABNOBVZAVEJRC-UHFFFAOYSA-N 315.467 4.638 30 20 DJED C=CCCc1ccccc1NC(=O)c1cccc(SCC#N)c1 410366154 LIIXMYPXWRDKKY-UHFFFAOYSA-N 322.433 4.673 30 20 DJED C=CCC(CC=C)c1nc(-c2ccc(OC(C)(C)C)cn2)no1 426559498 YHDYORXTCNJGFE-UHFFFAOYSA-N 313.401 4.545 30 20 DJED C=CCC[C@@H](Nc1cccc(N2CCCC2=O)c1)c1ccco1 428468053 MBXXWLUVWHURFM-QGZVFWFLSA-N 310.397 4.526 30 20 DJED N#C[C@H]1CC[C@@H](Nc2cccc(OCc3cccc(F)c3)c2)C1 442871089 HANHPTYPJJKNCX-KBXCAEBGSA-N 310.372 4.509 30 20 DJED CC[C@@H](NCc1cccc(OCC(C)C)c1)c1ccc(C#N)cc1 447543721 STPWGDLOYMRVBU-OAQYLSRUSA-N 322.452 4.834 30 20 DJED Cc1ccc(C(=O)Nc2ccc(C#N)cc2Cl)c(F)c1Cl 448186773 AKJTYAIAAXJIED-UHFFFAOYSA-N 323.154 4.565 30 20 DJED C=CC(C)(C)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C 450116927 RLXGLRXTEKZBCO-OAHLLOKOSA-N 300.446 4.525 30 20 DJED C=CCCC1(C(=O)N(C)Cc2cccc(Cl)c2Cl)CC1 474201889 YWEZZZLPIOTKEH-UHFFFAOYSA-N 312.240 4.698 30 20 DJED CC[C@H](CC#N)NC(=O)Nc1ccccc1Oc1ccc(C)cc1 475009498 JYSQJOPNNTZBPT-OAHLLOKOSA-N 323.396 4.601 30 20 DJED CC[C@@H](CN(CC)C(=O)C1(C#N)CCCCC1)c1ccccc1 482251643 ZHIQFPPXVJJGKA-KRWDZBQOSA-N 312.457 4.503 30 20 DJED CC(C)Oc1ccccc1/C=C\c1nc2ccccc2n1CC#N 485998488 JSVAZIIDCGSKBB-QXMHVHEDSA-N 317.392 4.517 30 20 DJED C=CCOc1cccc(CNCc2ccc(-c3ccccc3)o2)c1 513626675 BCAZBVDNTBKQBD-UHFFFAOYSA-N 319.404 4.801 30 20 DJED Cc1ccc(-c2ccncc2)cc1N[C@H](C#N)C1CCCCC1 522380522 AGLGMQYRSIDLSF-HXUWFJFHSA-N 305.425 4.941 30 20 DJED C=CC[C@@H](C)NC(=O)N1CCC(c2cccc3ccccc23)CC1 522635977 GPXOIMIKHHFWPS-MRXNPFEDSA-N 322.452 4.693 30 20 DJED CC(C)(C#N)CCN[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F 526087088 GYZXIZMJKUCXIW-GOEBONIOSA-N 324.390 4.871 30 20 DJED C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cc2cccc(F)c2o1 567315728 AHFJWHOFJNWSSY-KPZWWZAWSA-N 320.367 4.782 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCc1ccc(Cl)cn1 567899290 WXEMZGCVYBOIPG-GFCCVEGCSA-N 317.845 4.741 30 20 DJED N#Cc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1Cl 577898186 XQUSCZHXTAEKON-UHFFFAOYSA-N 316.147 4.582 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@H]2Nc1cc(C2CC2)ccn1 580885454 KZIWGCDPBWWYBN-LJQANCHMSA-N 303.409 4.710 30 20 DJED C[C@@H](c1noc(-c2ccc(C(C)(C)C#N)cc2)n1)c1cccs1 581751894 XDVJGBUQLRVMRS-GFCCVEGCSA-N 323.421 4.751 30 20 DJED C=CCCC(=O)N(c1cccc(C(F)(F)F)c1)[C@@H](C)C1CC1 588028729 NVMPBDWJNRCNKP-LBPRGKRZSA-N 311.347 4.803 30 20 DJED CCC(CC)CC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 589470639 ANUATOCDAAWRQC-UHFFFAOYSA-N 323.396 4.510 30 20 DJED N#CC1(CC(=O)N(Cc2ccco2)c2ccccc2)CCCCC1 597133108 NZLPILPAQDHONN-UHFFFAOYSA-N 322.408 4.677 30 20 DJED C[C@@H](CCC#N)CNc1ccc(COCc2ccccc2)cc1 602498474 MFTCRWJTAQFVQM-KRWDZBQOSA-N 308.425 4.755 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NC1(c2ccc(F)cc2)CCC1 611470543 QOBLPUBADAQFCX-HXUWFJFHSA-N 320.411 4.744 30 20 DJED C=CCN(C(=O)CCC1CCCC1)c1nc2c(s1)CCCC2 623331702 JAQGMANEGWJHOI-UHFFFAOYSA-N 318.486 4.511 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 675149976 HREUFLXEKGBFTP-SFHVURJKSA-N 322.452 4.642 30 20 DJED C=C(C)CNC(=S)N(Cc1ccccc1Cl)C1CCCC1 729159055 XNANENQBKAFVID-UHFFFAOYSA-N 322.905 4.535 30 20 DJED N#CCOc1cccc(/C=C\C(=O)c2cccc3ccccc23)c1 730146955 ININDDPLTVGEIT-QXMHVHEDSA-N 313.356 4.638 30 20 DJED C[C@H](/N=C\c1ccccc1O)c1nc(-c2ccccc2)cs1 730434692 QSDJRDWDMUASGX-JFENUBAZSA-N 308.406 4.696 30 20 DJED Fc1ccc(NN=Cc2ccc(F)c(-c3cccs3)c2)nc1 731318759 OHHVJOHLTZVNMN-UHFFFAOYSA-N 315.348 4.534 30 20 DJED CC(C)COc1ccc(/C=C\C(=O)c2ccc3c(c2)COC3)cc1 742438125 ZSDNKEVWHQCZEJ-YHYXMXQVSA-N 322.404 4.648 30 20 DJED Clc1ccc([C@@H]2CCCC2=NOCc2cccnc2)cc1 746587732 QWSCUSLVBWKWMD-INIZCTEOSA-N 300.789 4.575 30 20 DJED C[C@H](CC#N)OC(=O)c1ccc(Oc2ccccc2Cl)cc1 747118159 JMQBKFLJECIZRX-GFCCVEGCSA-N 315.756 4.591 30 20 DJED CCc1cccc(NC(=S)N[C@H](CCC#N)c2ccccc2)c1 747710027 RQLJUCIBEQKYMC-GOSISDBHSA-N 323.465 4.580 30 20 DJED CCCCCCCCN(C)[C@H](C)c1ccc([S@@](C)=O)cc1 747842320 CUYJMVPNFAPYRZ-IIBYNOLFSA-N 309.519 4.777 30 20 DJED CC(C)Oc1ccc(N=Cc2cc3ccccc3nc2O)c(F)c1 748033032 FOVHVICQKIMNSX-UHFFFAOYSA-N 324.355 4.617 30 20 DJED CCOc1cccc(C(=O)/C=C\c2coc(-c3ccccc3)n2)c1 749890756 AERXNOPGMCFKOA-QXMHVHEDSA-N 319.360 4.636 30 20 DJED COc1cccc(NN=CCCc2c(F)cccc2Cl)c1 755608519 MFYQUVWXCZQMLL-UHFFFAOYSA-N 306.768 4.518 30 20 DJED CC(=NNc1nc(C(F)(F)F)cs1)c1cccc(C)c1C 755903233 HYVHWKAYIHRNKS-UHFFFAOYSA-N 313.348 4.615 30 20 DJED Fc1ccc(C=NNc2ccc(Cl)nc2)c(Cl)c1Cl 761810390 QWYWDZAEMWAJDB-UHFFFAOYSA-N 318.566 4.627 30 20 DJED Cc1cncc(C(=O)/C=C\c2ccc(-c3ccc(F)cc3)o2)c1 767367486 OMBWOXORGAPAMV-VURMDHGXSA-N 307.324 4.685 30 20 DJED CC(=NNc1ccc(Cl)c(Cl)c1)c1sccc1O 769775031 NZJNLLZZTVDOQK-UHFFFAOYSA-N 301.198 4.597 30 20 DJED C=C(CC)CNc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 773207071 KECBDRDSWVWTRV-AWEZNQCLSA-N 304.434 4.650 30 20 DJED Cc1c(C(=O)/C=C/C=C\c2ccc(F)cc2F)cnn1C(C)C 787187613 SKSMNJYJMCLFEO-XGXWUAJZSA-N 316.351 4.503 30 20 DJED CCc1ccccc1NN=Cc1c(F)cccc1Br 794494559 WCPGCHYKSCSEBV-UHFFFAOYSA-N 321.193 4.597 30 20 DJED C=CC[C@H](N[C@@H]1CCC[C@@H](c2ncccc2C)C1)c1ccncc1 798929211 NRWBAYUDZBAGJZ-AQNXPRMDSA-N 321.468 4.718 30 20 DJED FC(F)(F)c1cccc(NN=Cc2cccc3cccnc23)c1 818201012 MLQZLVVNGWZJGK-UHFFFAOYSA-N 315.298 4.700 30 20 DJED C[C@@H](ON=C1CCC1)c1nnc(-c2ccc3ccccc3c2)o1 871733934 SZKAZOBJUFZCME-GFCCVEGCSA-N 307.353 4.507 30 20 DJED N#CC1(CCCC[S@](=O)Cc2ccccc2C2CC2)CCC1 899288761 ZQWNTUHFMJNVNC-QFIPXVFZSA-N 315.482 4.677 30 20 DJED Cc1c(Cl)cnc(NCCC2CCC(F)(F)CC2)c1C#N 1164332372 DEBGGIHDGFHOJW-UHFFFAOYSA-N 313.779 4.543 30 20 DJED Cc1ccccc1[C@H](NC(=O)Nc1ccc(C#N)cc1)C(C)(C)C 1309984654 OGCICCVDUTXDDI-SFHVURJKSA-N 321.424 4.776 30 20 DJED CCCCCCCCCCCC(=O)N1CCCN2CCC[C@@H]2C1 1318203137 OSTBDTLQBSLSCY-LJQANCHMSA-N 322.537 4.604 30 20 DJED N#CCN(Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C1CC1 1319706058 SLSRIPQQCOBXCU-UHFFFAOYSA-N 321.207 4.741 30 20 DJED CC[C@H](CC(C)C)C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 1357262892 AZZBIULTQKLCSV-NVXWUHKLSA-N 300.446 4.540 30 20 DJED Cc1c(Cl)cnc(NCC2(CC(C)C)CCCC2)c1C#N 1458249045 OOAHXDXLJSCPQJ-UHFFFAOYSA-N 305.853 4.934 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1nsc2ccccc12 1459388164 GYCVQVWTPUFCAV-UHFFFAOYSA-N 321.449 4.579 30 20 DJED Cc1cc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1Cl 1461880612 KGSBTYFWZKZPDI-UYAOXDASSA-N 324.855 4.920 30 20 DJED N#Cc1nc(NCc2c(Cl)cccc2Cl)sc1Cl 1472671787 APCBWELJJVBGDV-UHFFFAOYSA-N 318.616 4.587 30 20 DJED CC(C)(C)c1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)s1 1521815776 QYVVYNNKZWKPML-UHFFFAOYSA-N 318.829 4.823 30 20 DJED N#Cc1ccc(F)c(NC(=O)c2ccc(C3=CCCC3)cc2)c1 1583534128 CZRMUANGQNXLLK-UHFFFAOYSA-N 306.340 4.517 30 20 DJED C[C@H]1CC(C)(C)c2cccc(NC(=O)Cc3cccc(C#N)c3)c21 1610978559 CCFPFMPDORISND-AWEZNQCLSA-N 318.420 4.524 30 20 DJED C[C@@H]1CC[C@@H](Nc2c(C#N)cnc3c(Cl)cccc23)[C@H](C)C1 1611987957 ZTESGHIHXQBUGK-XHBSWPGZSA-N 313.832 4.996 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCC[C@H](Cc2ccccc2)C1 1644544647 AUHUAFSQYGAMIL-QGZVFWFLSA-N 324.855 4.666 30 20 DJED CC(C)[C@@H](CNCc1cc(C#N)cs1)c1ccc(Cl)cc1 1651044319 YRANWWBXPLCZQM-QGZVFWFLSA-N 318.873 4.803 30 20 DJED N#Cc1cccc(N(CC2CCCCC2)CC2CCCCC2)n1 1651678307 OGDDPQJRPRZGEG-UHFFFAOYSA-N 311.473 4.920 30 20 DJED COc1ccccc1[C@H]1CCCCN1Cc1ccc(C#N)cc1C 1657202021 WIGJSHKNWZJCDL-HXUWFJFHSA-N 320.436 4.603 30 20 DJED CC(C)(C)[C@@H]1CCCC(=NNc2ccc(F)c(C(=O)O)c2)CC1 1776062360 QGHKQXAIFPAQBS-GFCCVEGCSA-N 320.408 4.918 30 20 DJED CCOc1cc(/C=C\C(=O)c2ccc(C)cc2)cc(Cl)c1O 33476389 RCKTZTOWFULDDS-TWGQIWQCSA-N 316.784 4.649 30 20 DJED Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1cccc(C#N)c1 46690300 XYOBAMVSCVDCFP-CMDGGOBGSA-N 310.422 4.517 30 20 DJED C[C@@H](C#N)Oc1ccc(/C=C/C(=O)c2cc3ccccc3o2)cc1 57737517 JLARRFZAXIMQJN-ZHZWZMEUSA-N 317.344 4.620 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C)cc(C)c1 60451266 ZSOGVBCFULJXMA-UHFFFAOYSA-N 319.857 4.847 30 20 DJED Cc1cc(C)cc(NC(=O)Nc2cccc(OCCCC#N)c2)c1 113524245 YUIZDHUNMBNETK-UHFFFAOYSA-N 323.396 4.630 30 20 DJED CC(C)c1ccc([C@H](C)CC(=O)[C@H](C#N)c2ccccn2)cc1 121647232 IRBBTMIKUZSECQ-CRAIPNDOSA-N 306.409 4.575 30 20 DJED C[C@H](N[C@H](C)c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 121846835 RQJUUUDQXPJTTA-QWHCGFSZSA-N 318.342 4.989 30 20 DJED CCN(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(C)C 171379924 LZKYKMUOZMDGDO-UHFFFAOYSA-N 323.396 4.613 30 20 DJED C[C@@H](NCCCCC#N)c1ccc(OCc2ccccc2)cc1 178640151 PWEHZBPGBISAIP-QGZVFWFLSA-N 308.425 4.610 30 20 DJED Cc1cccc([C@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)c1C 180543270 WVEZOFWVYXKXPV-IRXDYDNUSA-N 308.425 4.618 30 20 DJED Cc1cc(C#N)ccc1CN[C@H](C)c1oc2ccccc2c1C 186329183 NRXMODXGKPBVBY-OAHLLOKOSA-N 304.393 4.772 30 20 DJED CC(C)n1cc(C(=O)/C=C\c2cccc(Cl)c2Cl)cn1 214914229 JGVMATBPMRHYHZ-SREVYHEPSA-N 309.196 4.667 30 20 DJED CC(C)[C@H](Nc1ccc(C#N)cn1)c1cccc(C(F)(F)F)c1 301188724 QQSIBNAPEDBAJD-INIZCTEOSA-N 319.330 4.781 30 20 DJED C[C@@H](Nc1c(C#N)cccc1C#N)c1ccc(C(F)(F)F)cc1 302829195 JNDVYXUSFCEWIT-LLVKDONJSA-N 315.298 4.622 30 20 DJED N#CCOc1ccc(NC2CCC(c3ccccc3)CC2)cc1 390450979 ZOGCLFTVXXCDCT-UHFFFAOYSA-N 306.409 4.727 30 20 DJED CCOc1ccc(CNc2ccc(C#N)c(C(F)(F)F)c2)cc1 391090578 YNIVUXUIJCWXBL-UHFFFAOYSA-N 320.314 4.588 30 20 DJED C=CCOc1ccccc1-c1nc(-c2occc2C(C)C)no1 426223903 FLQYMCRKBCACJY-UHFFFAOYSA-N 310.353 4.685 30 20 DJED COc1ccc(C#N)cc1CSCc1csc(C(C)C)n1 434929166 WNHHLCRYAKOMPI-UHFFFAOYSA-N 318.467 4.580 30 20 DJED Cc1ccsc1CCCC(=O)Nc1ccc(Cl)c(C#N)c1 438901722 BVRPCRKRUOVMIU-UHFFFAOYSA-N 318.829 4.543 30 20 DJED CC1(C)CCc2ccccc2[C@@H](NCc2ccc(C#N)s2)C1 441380049 OWLPGIFANYSXDS-SFHVURJKSA-N 310.466 4.813 30 20 DJED CCC(C)(C)OCc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1C 442872021 YHTGKSASDKPCLC-DOTOQJQBSA-N 300.446 4.804 30 20 DJED C=C[C@](C)(CC)C(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 442930542 AYSWJDLAPIHFEV-LJQANCHMSA-N 319.395 4.573 30 20 DJED C=CCCN[C@@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 462176275 NYLMKHDTAOHLCE-SFHVURJKSA-N 319.420 4.942 30 20 DJED CCCN(CCCC(C)(C)C#N)[C@H](C)c1ccccc1OC 472448393 HLHBYJAGKQBNQK-MRXNPFEDSA-N 302.462 4.798 30 20 DJED CC(C)CN(C(=O)C[C@@H](CC#N)c1ccccc1)C1CCCC1 475373473 DOZZELZVMRCNEC-GOSISDBHSA-N 312.457 4.501 30 20 DJED C=CCC1(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)CCC1 477784432 AQYSDVYUQAKKNE-UHFFFAOYSA-N 324.251 4.625 30 20 DJED CC(C)C[C@H](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N 521729060 FBXZOQGIBHLYFV-GJZGRUSLSA-N 318.486 4.949 30 20 DJED N#Cc1ccc(N2CCc3c(ccc(Cl)c3Cl)C2)c(F)c1 523548643 IYOGXEXFWVSXQJ-UHFFFAOYSA-N 321.182 4.567 30 20 DJED C=CCOc1cccc(CNC2(c3cccc(Cl)c3)CC2)c1 524882765 IXCMVQJJPZKCBX-UHFFFAOYSA-N 313.828 4.684 30 20 DJED C=C[C@H](CC(=O)NCC1(c2ccccc2C)CC1)c1ccccc1 533958807 VKNHFVWOEVSNCI-GOSISDBHSA-N 319.448 4.503 30 20 DJED CCOc1ccccc1[C@@H](CC(C)C)NCc1ccccc1C#N 539334943 PSWUJIXRFAFEJR-HXUWFJFHSA-N 322.452 4.834 30 20 DJED C=C(C)[C@H](NCc1cnc(C2CC2)s1)c1ccc(F)c(F)c1 548475129 PPZZUBPHQCPOMM-INIZCTEOSA-N 320.408 4.706 30 20 DJED CC[C@H](CC(=O)Nc1ccccc1CC#N)c1ccc(C)cc1 571799216 FPYKONBFHRFMKA-MRXNPFEDSA-N 306.409 4.584 30 20 DJED C=CCN(Cc1ccc(Cl)s1)Cc1cc(C#N)ccc1F 585763784 APTQBHBJSBJDAL-UHFFFAOYSA-N 320.820 4.600 30 20 DJED C=CCCc1ccccc1N[C@H]1CCc2cc(OC)c(OC)cc21 630059539 URUMJNBJBZNIIL-IBGZPJMESA-N 323.436 4.922 30 20 DJED C=C(C)CN(C)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 670071878 ISEIDPUNUOQUSC-UHFFFAOYSA-N 321.833 4.503 30 20 DJED O=C(/C=C\c1cccnc1Cl)c1ccc2c3c(cccc13)CC2 728699188 RDESPMVSPNUTQJ-LUAWRHEFSA-N 319.791 4.883 30 20 DJED CC(/C=C\C(=O)c1cc([N+](=O)[O-])ccc1C)=C\c1ccccc1 739425351 OTSJMGNKFOBKJX-RIUSXJRMSA-N 307.349 4.746 30 20 DJED Cc1ncsc1/C=C\C(=O)c1ccc2c3c(cccc13)CC2 742432602 YMHDZZLGLGJXKT-KTKRTIGZSA-N 305.402 4.599 30 20 DJED C=C(C)CN1CCC(NC(=O)[C@](C)(CC)CCCCCC)CC1 742644076 SQCQFSBBOUKMAA-HXUWFJFHSA-N 322.537 4.530 30 20 DJED C[C@H](OC(=O)[C@@H](C)c1cccc(Cl)c1)c1cccc(C#N)c1 744100373 FKZOPDHKRJUWJR-STQMWFEESA-N 313.784 4.620 30 20 DJED CCCCc1oc2ccccc2c1C=NOCc1cccnc1 746575720 BJDYTFRMRJWZIZ-UHFFFAOYSA-N 308.381 4.721 30 20 DJED C#Cc1cccc(NC(=S)N(CC2CCC2)c2ccccc2)c1 752240895 BHOKJFYACHMSAP-UHFFFAOYSA-N 320.461 4.671 30 20 DJED N#Cc1ccccc1/C=C1/CCC/C(=C\c2ccccc2C#N)C1=O 755569691 JQASKJJTBYKCSE-MGYAYREDSA-N 324.383 4.650 30 20 DJED CC(=O)Nc1cccc(C(=O)/C=C\c2cc3ccccc3s2)c1 758422436 AXGZXNVCLLHMBA-KTKRTIGZSA-N 321.401 4.756 30 20 DJED O=C(/C=C/c1cccc(-c2cccnc2)c1)c1ccc(F)c(F)c1 768493003 JKGKMRYJBZVPHP-RMKNXTFCSA-N 321.326 4.923 30 20 DJED CCC[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc(OCC#N)cc1 776155373 FEKOJPYUELNZTJ-KVSKMBFKSA-N 300.446 4.598 30 20 DJED CC(CCc1n[nH]c2ccccc12)=NNc1ccc(Cl)cc1 782219666 CCDFAAGTAFUMCP-UHFFFAOYSA-N 312.804 4.637 30 20 DJED C[C@@H](C=Nn1cnc2ccccc21)c1ccc(C(F)(F)F)cc1 788975145 LELLCGDIYSZRFJ-LBPRGKRZSA-N 317.314 4.693 30 20 DJED CC[C@@H](C)CCCCC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842944133 IWRMNTCSSMXMRO-OCCSQVGLSA-N 304.459 4.803 30 20 DJED CCCC[C@@H](C(=O)[C@H](C#N)c1nc(C2CC2)cs1)C(C)C 857034300 ZADJAWOGGVZFKM-KGLIPLIRSA-N 304.459 4.659 30 20 DJED C=CCN(C(=O)c1oc2c(ccc3ccccc32)c1C)C(C)C 915147899 POXPMQHIGDIMEU-UHFFFAOYSA-N 307.393 4.931 30 20 DJED COc1ccc(/C=C\C(=O)c2ccccc2)cc1OCC(C)C 916134282 HQAZUWZYEWLYKK-LUAWRHEFSA-N 310.393 4.626 30 20 DJED Cc1cccc(C(=O)/C=C/c2ccc(N3CCCCC3)cc2)c1 916153134 BCTDDZAWFBEMQL-JLHYYAGUSA-N 305.421 4.881 30 20 DJED C[C@@H]1CCCCC1=NNc1ncc(C(F)(F)F)cc1Cl 916286682 OHCVLJNWVTUBOI-MRVPVSSYSA-N 305.731 4.732 30 20 DJED Cc1ccc2c(c1)C/C(=C/c1ccc(Br)cc1)C2=O 921264643 WQKCVFUUISIRNS-ZROIWOOFSA-N 313.194 4.580 30 20 DJED CC[C@H](OC(=O)c1cccc(C#N)n1)c1ccc(C(C)(C)C)cc1 1127594360 KPCAMSAMCDNGDK-SFHVURJKSA-N 322.408 4.559 30 20 DJED C=C(Br)CN1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 1167477921 IWKUEEWYRHQKQR-CZUORRHYSA-N 308.263 4.677 30 20 DJED CC(C)Cc1ccc([C@H](C)C(=O)Nc2cccc(CC#N)c2)cc1 1180905234 KSTUUYBKXYMFRB-INIZCTEOSA-N 320.436 4.693 30 20 DJED O=C(/C=C\c1ncc(-c2ccccc2)[nH]1)c1csc(Cl)c1 1255999712 YLCSMRAEVMVPEN-SREVYHEPSA-N 314.797 4.688 30 20 DJED N#Cc1cccc(-c2nnc([C@@H]3CCC[C@H]3c3ccccc3)o2)c1 1329224176 YIMRDTFGDMMKAW-ZWKOTPCHSA-N 315.376 4.660 30 20 DJED Cc1c(C(=O)O[C@@H](C)c2cccc(C#N)c2)oc2ccccc12 1355915088 DOSJNVVQYBUVQN-ZDUSSCGKSA-N 305.333 4.531 30 20 DJED C[C@H]1CC[C@H](OC(=O)c2ccccc2Oc2ccccc2C#N)C1 1435778217 OAJWNQUTJXUWLW-HOCLYGCPSA-N 321.376 4.696 30 20 DJED C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1CC1(CC#N)CC1 1459629787 TUQYZMCUYQJLFQ-LLVKDONJSA-N 309.240 4.606 30 20 DJED CCN(Cc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1F 1460025143 PBYMUXJKRCSSOD-UHFFFAOYSA-N 306.743 4.516 30 20 DJED Cc1cc(C)c(/C=C\CN[C@@H](C)c2cccc(C#N)c2)c(C)c1 1461752816 JMEBBUGMHSNAGU-KKMIYCERSA-N 304.437 4.848 30 20 DJED N#CCc1ccc(CN2CCC[C@@H]2Cc2ccccc2Cl)cc1 1473124239 LITSJDWXGIZSAF-LJQANCHMSA-N 324.855 4.613 30 20 DJED Cc1cccc2nc([C@H](C#N)C(=O)[C@@H](C)CC3CCCCC3)[nH]c12 1523852121 KIAGTJFZQNFTLH-GOEBONIOSA-N 323.440 4.654 30 20 DJED C=C(Cl)CN(CC)[C@H](c1ccccc1)c1ccc(F)cc1 1559634701 WWHGRQBXPYZYNZ-GOSISDBHSA-N 303.808 4.990 30 20 DJED N#C[C@@H]1CCCN(Cc2cccc(SCc3ccccc3)c2)C1 1560130251 NYLSPZNISOAXRR-IBGZPJMESA-N 322.477 4.714 30 20 DJED C[C@H](NCCc1c(Cl)cccc1Cl)c1cccc(C#N)c1 1560135582 ULXYDTOOSONNBH-LBPRGKRZSA-N 319.235 4.758 30 20 DJED C[C@@H](CCC#N)CN1CCC(C)(c2cccc(Cl)c2)CC1 1560786311 UBORUDMHCWIPGO-HNNXBMFYSA-N 304.865 4.633 30 20 DJED Cc1ccc(CNc2ncccc2C#N)c(O[C@H](C)CC(C)C)c1 1639646066 GJAJQFIETAKNDR-MRXNPFEDSA-N 323.440 4.687 30 20 DJED CC(C)c1ccc2c(c1)CCCN2CCOc1cccc(C#N)c1 1642089628 QGSOKCTXBUUOMU-UHFFFAOYSA-N 320.436 4.513 30 20 DJED Cc1cccc([C@H]2CCCN2c2nc(C)c(C#N)cc2Cl)c1 1650663850 GASLWEOCMCGCNF-QGZVFWFLSA-N 311.816 4.565 30 20 DJED Cc1cc(CNc2cc(C#N)ccc2OC(C)C)c(C)s1 1656390480 GONRSQNMZBFJGB-UHFFFAOYSA-N 300.427 4.636 30 20 DJED CC(C)CN(CCC#N)CCCc1ccc(C(F)(F)F)cc1 1657374158 WFXDUJJVCRVBBS-UHFFFAOYSA-N 312.379 4.510 30 20 DJED CC(C)c1ccc(OC2CCN(C[C@H](C)CCC#N)CC2)cc1 1658339991 ZDOOBSAXMQDOLS-QGZVFWFLSA-N 314.473 4.593 30 20 DJED CCC(CC)N(CC(C)C)C(=O)Nc1cc(C#N)c(F)cc1F 1674400972 CMEGWCHYPHANSI-UHFFFAOYSA-N 323.387 4.515 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1cccc(SC)c1 1776783804 MSYNDARUBCHORQ-INIZCTEOSA-N 323.502 4.702 30 20 DJED O=C(O)c1cccc(C(=O)/C=C\c2c(Cl)cccc2Cl)c1 1777685050 ZVXBKLJLOJCQQD-FPLPWBNLSA-N 321.159 4.588 30 20 DJED C[C@@H](c1ccccc1Cl)N(C)Cc1ccc(C#N)cc1F 58000629 LLNWLBBWCJTEID-LBPRGKRZSA-N 302.780 4.544 30 20 DJED C=CCN(Cc1ncc(-c2ccccc2)o1)Cc1cccs1 60942752 MBPHDOAPRHPTNG-UHFFFAOYSA-N 310.422 4.591 30 20 DJED Cc1occc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 68824659 AVISODCWRLLLOA-UHFFFAOYSA-N 318.332 4.504 30 20 DJED C=CCOc1cccc(NC(=O)C2(c3cc(C)cc(C)c3)CC2)c1 108870078 UNHCRVDVSVRQEW-UHFFFAOYSA-N 321.420 4.539 30 20 DJED C=C[C@@H](CC(=O)N(C)[C@@H](C)c1ccccc1F)c1ccccc1 130281763 IYLBWNRNAQMMRY-HOTGVXAUSA-N 311.400 4.705 30 20 DJED Cc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)oc1C 151138353 DWOSHRLWURCSDV-UHFFFAOYSA-N 322.389 4.749 30 20 DJED CO[C@@H](C)c1nc(CS[C@@H](C)c2ccc(C#N)cc2)cs1 177853282 MPQWADMDVSQRGM-RYUDHWBXSA-N 318.467 4.717 30 20 DJED CCc1oc2ccccc2c1C(=O)N(CCC#N)C(C)(C)CC 189907909 OVJWOHKZKUUXDX-UHFFFAOYSA-N 312.413 4.540 30 20 DJED Cc1ccc([C@H](NCc2ccc(O[C@H](C)C#N)cc2)C2CC2)cc1 237606907 MUHFNUIATHCJQR-IERDGZPVSA-N 320.436 4.527 30 20 DJED C=C(C)[C@@H](NCc1ncc(C(C)(C)C)o1)c1ccc(F)c(F)c1 274869227 KALXWLFTBRWRTG-QGZVFWFLSA-N 320.383 4.657 30 20 DJED C[C@@H](Nc1ccc(C#N)cn1)c1ccc(Oc2ccccc2)cc1 303174207 WDKJHACXFGJVEX-OAHLLOKOSA-N 315.376 4.919 30 20 DJED C[C@@H](N[C@@H]1CCCCC12CCCC2)c1ccc(OCC#N)cc1 324098731 IPYPDBFFLQNMNY-VQIMIIECSA-N 312.457 4.743 30 20 DJED N=C(O)[C@@H]1CCC[C@@H](/C(O)=N/C[C@@H]2C[C@H]2C2CCCCC2)C1 329362718 ZBVFRVSFMMBFFQ-WCVJEAGWSA-N 306.450 4.501 30 20 DJED Cc1ccc(-c2nc(N=C(O)[C@]3(C)CCOC3)sc2C)s1 329426430 JBNFURBCHXYOSX-OAHLLOKOSA-N 322.455 4.503 30 20 DJED CCCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CC[C@H](C#N)C1 425662681 JHBPYOCIEAZSDW-GOEBONIOSA-N 313.445 4.576 30 20 DJED C=CCCCCNC(=O)N(C)[C@H](c1ccc(F)cc1)C(C)C 434367145 OQPMWZRLQGTVGY-KRWDZBQOSA-N 306.425 4.521 30 20 DJED Cc1ccc2oc(-c3noc(-c4cccc(CC#N)c4)n3)cc2c1 445758564 NUOPHRXKFPJNOQ-UHFFFAOYSA-N 315.332 4.524 30 20 DJED C=C[C@H](C)NC(=O)Nc1ccccc1O[C@H](C)c1ccccc1 465263038 JMZYDKOFDPQGKW-LSDHHAIUSA-N 310.397 4.523 30 20 DJED C=CC[C@@H]1N(C(=O)c2ccc(-c3cnco3)cc2)CCCC1(C)C 470279803 VUBPGYXTDATJQI-SFHVURJKSA-N 324.424 4.549 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1cccc(C(F)F)c1 470719070 ZVYBFXIXUYSNPK-UHFFFAOYSA-N 314.379 4.908 30 20 DJED C=CCCC1(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CC1 475474421 YMIMUAZVYCUGRI-UHFFFAOYSA-N 314.212 4.687 30 20 DJED C=CCC[C@H](C(=O)N[C@@H]1CCC[C@@H]1SCC)c1ccccc1 475965101 LOOURLPLVHNNLZ-KSZLIROESA-N 317.498 4.527 30 20 DJED CCCOc1ccc(C(C)(C)NCCCC(C)(C)C#N)cc1 483260434 BPZARJLVNZZZMW-UHFFFAOYSA-N 302.462 4.630 30 20 DJED Cn1c(SCc2ccccc2C(C)(C)C#N)nc2ccccc21 486990122 OTPNMFPHDPVZJO-UHFFFAOYSA-N 321.449 4.667 30 20 DJED C=CCC(C)(C)CNC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 489714618 LMRDOBAEEJWMNO-LBPRGKRZSA-N 313.363 4.527 30 20 DJED C=CCC(C)(C)c1noc(Cc2c[nH]c3cccc(Cl)c23)n1 518144823 XMYPCZGHFZWXGO-UHFFFAOYSA-N 315.804 4.649 30 20 DJED Cc1ccccc1[C@H](NCc1ccc(C#N)cc1F)C(C)(C)C 532567464 MCNQXSRXZFHJTA-IBGZPJMESA-N 310.416 4.883 30 20 DJED C[C@@H](SCCOCCC#N)c1ccc(Cl)c(Cl)c1 549378372 MXCQPVUNRRHQNP-SNVBAGLBSA-N 304.242 4.718 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)c2cccc3c2CCCC3)n1 583006725 NSMVYMKDHBVYSS-MRXNPFEDSA-N 324.449 4.635 30 20 DJED Cc1ccc(-c2ccncc2)cc1N[C@H](C#N)Cc1ccccc1 608789160 HHQANBOBZLPZGA-FQEVSTJZSA-N 313.404 4.604 30 20 DJED C[C@H](CC(=O)Nc1cc(C#N)cn1C(C)(C)C)CC(C)(C)C 609358567 IYTPUTKSNLGJLI-CYBMUJFWSA-N 303.450 4.516 30 20 DJED C[C@@H](C(=O)Nc1sc(-c2ccccc2)cc1C#N)c1ccco1 610171454 JDKHYIHEDRSXTP-GFCCVEGCSA-N 322.389 4.622 30 20 DJED C[C@H](Nc1ccnc2cc(Cl)ccc12)c1cccc(C#N)c1 610340255 GXBZRDYCPLDVKC-LBPRGKRZSA-N 307.784 4.933 30 20 DJED C[C@H](Nc1ccc(C(=O)C(C)(C)C)cc1)c1cccc(C#N)c1 630061063 GQEVOMKITFDGBK-AWEZNQCLSA-N 306.409 4.960 30 20 DJED C[C@@H]1C[C@H](CC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)CC(C)(C)C1 727624665 AYZNUMQQKHUVBW-KFWWJZLASA-N 323.440 4.592 30 20 DJED C#Cc1cccc(N(C)C(=O)c2sccc2-c2ccccc2)c1 728537460 USJQJAUWPSFHOP-UHFFFAOYSA-N 317.413 4.673 30 20 DJED C[C@@H](NCc1csc2ccccc12)c1ccc(OCC#N)cc1 729685928 NLJTZGXZXWQFMJ-CQSZACIVSA-N 322.433 4.654 30 20 DJED Cc1cc(OC(C)C)ccc1NCc1ccc(O[C@@H](C)C#N)cc1 747099091 ODDIBLAEICCUOD-INIZCTEOSA-N 324.424 4.685 30 20 DJED Cc1cccc2nc([C@@H](C#N)C(=O)CCCCCC(C)C)[nH]c12 749036957 IVYSWDXDRQIZQO-HNNXBMFYSA-N 311.429 4.654 30 20 DJED O=C1/C(=C\c2cnc(C3CCC3)s2)CCc2cc(F)ccc21 760266025 RJYHJMNALKBXEU-LCYFTJDESA-N 313.397 4.762 30 20 DJED C[C@@H](NCc1cccc(-c2ccc(C#N)s2)c1)c1ccccn1 766735117 QXAAQBZBSHRQIT-CQSZACIVSA-N 319.433 4.533 30 20 DJED C=C[C@H](CC(=O)O[C@@H](CC)c1ccc(F)cn1)c1ccccc1 803045541 HRJIBGOQKHFOKQ-KDOFPFPSSA-N 313.372 4.575 30 20 DJED COc1ccc(N[C@H](C)c2cccc(C#N)c2)c2ccccc12 864020505 DDTFCPZBVLEARI-CQSZACIVSA-N 302.377 4.893 30 20 DJED CCCCc1ccc(C(=O)/C=C/c2ccc(O)c(OC)c2)cc1 916133847 OYOVMLAYPVAVAM-XYOKQWHBSA-N 310.393 4.640 30 20 DJED CCc1c(C(C)=NNc2ccc([N+](=O)[O-])cc2)oc2ccccc12 916245072 SBWLULCZEUSFBR-UHFFFAOYSA-N 323.352 4.740 30 20 DJED C#Cc1cccc(NC(=O)N[C@@H](c2ccccc2)C(C)(C)C)c1 916517809 TZWFZYFCQIZOJH-SFHVURJKSA-N 306.409 4.577 30 20 DJED Cc1ccc(C(=O)/C=C\c2cnc(-c3ccccc3)nc2)c(C)c1 917143315 YIMTYKRTFDLXGQ-LUAWRHEFSA-N 314.388 4.657 30 20 DJED CC1(C)CC(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC(C)(C)C1 1128564952 MPUGAJNRODDDBH-GOSISDBHSA-N 324.468 4.514 30 20 DJED C[C@H]1C[C@H](C(C)(C)C)CCN1c1nc(C(C)(C)C)ccc1C#N 1163422083 JBVKZEULJOXXNL-GOEBONIOSA-N 313.489 4.902 30 20 DJED CC(C)Oc1cc(F)ccc1NC1CC(C#N)(c2ccccc2)C1 1180340768 ZWWDPPJHQCMQGN-UHFFFAOYSA-N 324.399 4.649 30 20 DJED C[C@@H](CCC#N)CN(Cc1cccs1)C1Cc2ccccc2C1 1181729076 JUZSWSOFVPZYKR-INIZCTEOSA-N 324.493 4.657 30 20 DJED CCCN(CCc1ccc(C#N)cc1)[C@H](CC)c1ccccc1 1190581646 HFTBZDGWCOHICT-OAQYLSRUSA-N 306.453 4.964 30 20 DJED CCN(CCCc1ccc(C)cc1)[C@@H](C)c1ccc(C#N)cc1 1307425306 CGVXFXOWUCGIIG-SFHVURJKSA-N 306.453 4.882 30 20 DJED Cc1ccc(C(=O)Nc2ccc(F)cc2C#N)c(Cl)c1Cl 1355277787 DKNOUFHBSIPGQB-UHFFFAOYSA-N 323.154 4.565 30 20 DJED CC[C@@H](C)[C@@H](C(=O)OCc1ccc(CC#N)cc1)c1ccccc1 1435686853 NJAOIGHKPJNSHG-OXQOHEQNSA-N 321.420 4.626 30 20 DJED CC[C@H](C)Oc1cc(C)ccc1CNc1c(C#N)cccc1C#N 1458252926 LOAQVJPSJMZVTG-HNNXBMFYSA-N 319.408 4.528 30 20 DJED CCC(CC)Oc1ccc([C@H](C)OC(=O)CC(C)(C)C#N)cc1 1460054444 MSDAVGUWQXBWMS-AWEZNQCLSA-N 317.429 4.798 30 20 DJED CC(C)(C)c1ccc(C#N)c(NCc2c(F)cccc2Cl)n1 1472674142 PGQSNZZGYDBBJO-UHFFFAOYSA-N 317.795 4.655 30 20 DJED N#Cc1sc(NCc2cc(Cl)cc(Cl)c2)nc1Cl 1472830080 LOKRZLSECWDEPK-UHFFFAOYSA-N 318.616 4.587 30 20 DJED Cc1ccccc1SC[C@H](C)COc1cccc(F)c1C#N 1473008087 MTBRBMMRZBMMQI-CYBMUJFWSA-N 315.413 4.813 30 20 DJED Cc1ccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)c2ccccc12 1532993817 QDCASJWLFULJMT-OAHLLOKOSA-N 314.388 4.511 30 20 DJED COc1cc(C#N)ccc1CN1CCC[C@H]1c1cccc(C)c1C 1559555821 KRINFBDGWOAJAW-FQEVSTJZSA-N 320.436 4.521 30 20 DJED C[C@H]1C[C@H](C)CC[C@H]1Nc1c(C#N)cnc2c(Cl)cccc12 1611987954 ZTESGHIHXQBUGK-BFQNTYOBSA-N 313.832 4.996 30 20 DJED Cc1ccc([C@H]2CCC[C@@H]2N(C)Cc2ccc(CC#N)cc2)cc1 1641871639 NSQNPCCACLBRMH-YADHBBJMSA-N 318.464 4.829 30 20 DJED C[C@@H](Sc1cncc(C#N)n1)c1ccc(Cl)c(Cl)c1 1642317807 ZSJPXYROSQOEQW-MRVPVSSYSA-N 310.209 4.508 30 20 DJED N#Cc1cnc(SC2CCC(c3ccccc3)CC2)c(F)c1 1643149370 MROIAAMOCGDVCR-UHFFFAOYSA-N 312.413 4.911 30 20 DJED Cc1cc(SCc2cccnc2C(F)(F)F)ccc1C#N 1652058305 IAXHNZSAHTVDBX-UHFFFAOYSA-N 308.328 4.573 30 20 DJED CO[C@H](COc1ccc(C#N)cc1Cl)c1ccc(Cl)cc1 1652547682 MSLRVYHBUIPGQM-MRXNPFEDSA-N 322.191 4.632 30 20 DJED CC[C@H]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)C1 1652696959 OYRNMOWJZBTVFT-IBGZPJMESA-N 318.464 4.618 30 20 DJED C[C@@H](CCC#N)CN1CCC(Cc2ccc(Cl)cc2)CC1 1652975710 SFFGKFAZZNIGTE-HNNXBMFYSA-N 304.865 4.534 30 20 DJED CC(C)(C)Oc1cccc(CN[C@@H](CCC#N)c2ccccc2)c1 1655957188 SSBHQTYZMYMOSM-FQEVSTJZSA-N 322.452 4.999 30 20 DJED CC[C@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(C#N)c(Cl)c1 1657862618 UPVGVZWNZZGBBF-GXTWGEPZSA-N 319.836 4.550 30 20 DJED C=C(Cl)CN[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C 1658137375 GJZORTQKHHKTJW-LBPRGKRZSA-N 306.862 4.830 30 20 DJED CC(=NNc1ccc(Cl)cc1C)[C@@H]1C[C@H](CC(=O)O)C1(C)C 1776104589 OUTKDTORDVJVNE-OCCSQVGLSA-N 322.836 4.573 30 20 DJED CC[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(OC)cc1 90664902 QRFFMZJBYKCKPU-WOJBJXKFSA-N 308.425 4.781 30 20 DJED COc1ccc(C)cc1[C@H](C)N[C@@H](CCC#N)c1ccccc1 90665686 UROXCASRTJTNIY-LPHOPBHVSA-N 308.425 4.699 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccccc1Oc1ccccc1 107003588 MYGVUOUKEDBWHE-UHFFFAOYSA-N 310.397 4.909 30 20 DJED N#Cc1ccc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1Cl 160645992 POWAHUJXJCSDOP-SJLPKXTDSA-N 312.800 4.544 30 20 DJED C[C@@H](CC1CCCCC1)C(=O)[C@H](C#N)c1nc2ccccc2o1 172086826 VTXLYDADWHUNAT-ZFWWWQNUSA-N 310.397 4.611 30 20 DJED CCCCCC(C)(C)C(=O)Nc1ccccc1O[C@H](C)C#N 182126335 YOLHUWKLJAXWIZ-CQSZACIVSA-N 302.418 4.522 30 20 DJED CC#CCCCC(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C 186027563 WLAHXEFNEMKZPC-QGZVFWFLSA-N 312.457 4.506 30 20 DJED C[C@@H](NCc1ccc(Cl)cc1C#N)c1cc2ccccc2o1 187494616 DUMGRWNANVRWSP-GFCCVEGCSA-N 310.784 4.809 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)C/C=C\c2cccc(F)c2)cc1 255624218 GHYRJMYFQXOVPG-XQRVVYSFSA-N 322.383 4.669 30 20 DJED C[C@@H](Sc1ccc(Br)cn1)c1ccc(C#N)cc1 303652369 BKXFTZZWVUXXEO-SNVBAGLBSA-N 319.227 4.569 30 20 DJED N#CCOc1ccc(NC2CC(c3ccc(Cl)cc3)C2)cc1 315127910 BMXAIWGFHXCVGB-UHFFFAOYSA-N 312.800 4.600 30 20 DJED C[C@H](NC1CC(C#N)(c2ccccc2)C1)c1ccc(Cl)cc1 315599585 HIRZLANMBCLELX-YCMKEVRSSA-N 310.828 4.615 30 20 DJED CCc1ccc2c(c1)[C@@H](CC/N=C(/O)C1(C)CCCC1)C(O)=N2 329371017 MAWUYYDHXAVCMT-CQSZACIVSA-N 314.429 4.861 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1nc(-c2cc(C)oc2C)cs1 344221119 DINKRRFTYSWNKN-INIZCTEOSA-N 304.415 4.561 30 20 DJED Cc1oc(C(C)C)cc1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 351599785 CYPAIBUSSPAFBK-UHFFFAOYSA-N 324.424 4.634 30 20 DJED N#Cc1cccc(CN2CCC(=Cc3ccc(F)c(F)c3)CC2)c1 469446372 NYKAPTNFUHVNKH-UHFFFAOYSA-N 324.374 4.516 30 20 DJED C=CCCC[C@H](C)NC(=O)c1sc2ccc(C#N)cc2c1C 497935877 FXPCEDADBDMRFC-LBPRGKRZSA-N 312.438 4.556 30 20 DJED C=CCN(Cc1cccs1)C(=O)[C@H](C)CC1CCCCC1 510141595 ZOQKXRIKAZWAPG-OAHLLOKOSA-N 305.487 4.869 30 20 DJED C=CCC(C)(C)C(=O)N1CCC(C)(c2cccc(Cl)c2)CC1 511026154 DZSGPJRLAHZZAB-UHFFFAOYSA-N 319.876 4.822 30 20 DJED C=CC[C@H](C)NC(=O)Nc1ccccc1SC1CCCC1 524207189 XYTWHMRWNAKUER-ZDUSSCGKSA-N 304.459 4.807 30 20 DJED COc1ccccc1-c1ccc([C@@H](C)N(C)CCCC#N)cc1 525125858 YQGOMFYBRXVWHL-MRXNPFEDSA-N 308.425 4.659 30 20 DJED N#CCCCN[C@@H](c1cc(F)ccc1F)c1ccccc1Cl 542497184 BDZFOHPNDSTSLP-QGZVFWFLSA-N 320.770 4.601 30 20 DJED N#Cc1ccc(Cl)c(C(=O)Nc2ccc(C3CCC3)cc2)c1 582053925 VILXKWJGTZCNSH-UHFFFAOYSA-N 310.784 4.731 30 20 DJED O=C1/C(=C/c2ccc(F)nc2)CCSc2ccc(Cl)cc21 588523955 LKUMZOSBLYUPTA-YRNVUSSQSA-N 319.788 4.636 30 20 DJED C=CCCCS[C@@H](C)C(=O)Nc1cc(Cl)ccc1F 609805220 WEPHOIIRVPZHKN-JTQLQIEISA-N 301.814 4.506 30 20 DJED CCN(CCCc1cccc(OC)c1)[C@H](C)c1ccc(C#N)cc1 610212603 KZFOLGZESCQTCA-QGZVFWFLSA-N 322.452 4.583 30 20 DJED Cc1c(Cl)cnc(N[C@H](C)c2ccc(Cl)s2)c1C#N 612070284 RLZLEHUIHLJJFV-MRVPVSSYSA-N 312.225 4.803 30 20 DJED C=CCC[C@@H](NCc1cccc(O)c1Cl)c1ccccc1 645166933 UNBPDBBJNICVOK-MRXNPFEDSA-N 301.817 4.843 30 20 DJED CCCOc1ccc(C(=O)/C=C/C2=Cc3ccccc3OC2)cc1 726742852 YLBFHSDXOUTRDB-KPKJPENVSA-N 320.388 4.690 30 20 DJED Cc1cc(/C=C\C(=O)c2ccccc2)ccc1Br 746393913 MHKAHXNNJJTVEV-NTMALXAHSA-N 301.183 4.654 30 20 DJED Cc1cn2c(/C=C/C(=O)c3coc4ccccc34)c(C)nc2s1 747706401 VRCTZZYVANHTKN-BQYQJAHWSA-N 322.389 4.655 30 20 DJED CC(=NNc1ccc(C#N)cc1)[C@H](C)c1nc2ccccc2s1 748786506 SPQYTUAFZKFYFC-LBPRGKRZSA-N 320.421 4.759 30 20 DJED CCC(=NNc1oc(CC(C)C)nc1C#N)C1CCCCC1 750936908 JVWXFOPEQFIVCB-UHFFFAOYSA-N 302.422 4.503 30 20 DJED Cc1cc(CN(CCC#N)CC(C)C)ccc1Oc1cccnc1 768153783 JMWOUACMRXBPKJ-UHFFFAOYSA-N 323.440 4.554 30 20 DJED CCSc1cccc(/C=C\C(=O)c2ccc(Cl)nc2)c1 769746367 GZWWPIUXEAKDTD-VURMDHGXSA-N 303.814 4.743 30 20 DJED Cc1ncsc1/C=C/C(=O)c1ccc(OC(C)C)c(Cl)c1 789157403 KVHUELWNTAKBPN-FNORWQNLSA-N 321.829 4.788 30 20 DJED C[C@@]1(C=NNc2nc(Cl)c(Cl)cc2Cl)CCCS1 792926510 RHIBIBKFIQVGOJ-NSHDSACASA-N 324.664 4.725 30 20 DJED Cc1ccc(COc2cccc(N[C@@H]3CC[C@@H](C#N)C3)c2)cc1 799724310 KRLAQRABWCRQKJ-IEBWSBKVSA-N 306.409 4.678 30 20 DJED CN(CC(C)(C)C#N)C(=O)Nc1ccc(SC(C)(C)C)cc1 814630765 YBLNHUOSCVNAOX-UHFFFAOYSA-N 319.474 4.591 30 20 DJED CC(CCCCCCC(=O)O)=NNc1nc2ccccc2s1 814686516 KURULXHLVDYVLC-UHFFFAOYSA-N 319.430 4.509 30 20 DJED Clc1ccccc1[C@@H]1CCCCC1=NOC1CCOCC1 853334352 AEHGEUMAOJUBIS-HNNXBMFYSA-N 307.821 4.549 30 20 DJED N#Cc1ccc(C(F)(F)F)c(N2Cc3cccc(Cl)c3C2)c1 864018460 VUJUOKTUYSWDOO-UHFFFAOYSA-N 322.717 4.751 30 20 DJED CCCC[C@](C)(F)C(=O)N(O)Cc1cc(Cl)cc(Cl)c1 901378129 CSWHUUKCNMLQGC-AWEZNQCLSA-N 322.207 4.630 30 20 DJED COc1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1F 915983250 VBTRPGSHXJNCKH-UHFFFAOYSA-N 314.143 4.597 30 20 DJED Oc1ccc(Cl)cc1C=Nc1ccc(-c2nccs2)cc1 920943909 LHZTWELTXBAWGE-UHFFFAOYSA-N 314.797 4.920 30 20 DJED C[C@H](SCC1(CC#N)CC1)[C@H](C)SCC1(CC#N)CC1 1118414226 PLEYKFSPLDDISQ-KBPBESRZSA-N 308.516 4.618 30 20 DJED C=C(Br)CN1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 1167477923 IWKUEEWYRHQKQR-XJKSGUPXSA-N 308.263 4.677 30 20 DJED N#Cc1cccc(CN2CCC(c3ccc(Cl)cc3)CC2)c1 1203757983 XVFNWIPLGKOEES-UHFFFAOYSA-N 310.828 4.591 30 20 DJED N#Cc1nc(SCc2ccccc2Cl)sc1Cl 1307093427 GKOAQRXCUVEMNM-UHFFFAOYSA-N 301.223 4.614 30 20 DJED CCc1ccc([C@H](N[C@@H]2CC[C@@H](C#N)C2)c2cccc(F)c2)cc1 1325159852 SUIKOCLCKQZMME-HBGVWJBISA-N 322.427 4.759 30 20 DJED N#Cc1cccc(-c2nnc([C@@H]3CC[C@@H]4CCCC[C@H]4C3)o2)c1 1348898642 DCHUBTVDPSRTNO-YQQAZPJKSA-N 307.397 4.682 30 20 DJED C[C@H](CC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C1CCCCC1 1357532508 YQIXBYSVAIPARC-MRXNPFEDSA-N 324.468 4.656 30 20 DJED C[C@@H](OC(=O)c1cccc(C(C)(C)C)c1)c1cccc(C#N)c1 1435508843 CEJFXVGLJUDDMS-CQSZACIVSA-N 307.393 4.774 30 20 DJED N#CCc1cccc(NC(=O)c2ccccc2-c2ccccc2)c1 1436284098 AMIIQBHRTXCGKZ-UHFFFAOYSA-N 312.372 4.672 30 20 DJED CC[C@@]1(C)CCCN(c2c(C#N)cnc3c(Cl)cccc23)C1 1472705952 DSHRFXZBJRVRRN-SFHVURJKSA-N 313.832 4.776 30 20 DJED N#Cc1sccc1C(=O)Nc1ccc2c(c1)oc1ccccc12 1515234756 NWQVTDISGNQNFG-UHFFFAOYSA-N 318.357 4.771 30 20 DJED CCCc1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1 1523027186 KINFJKAHNMTEHX-UHFFFAOYSA-N 324.399 4.566 30 20 DJED CCC[C@@H](CC(C)C)C(=O)N(C)c1cc(Cl)ccc1C#N 1532266967 JLYYMKRISZNFJG-ZDUSSCGKSA-N 306.837 4.637 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)CC1(C#N)CCCCC1 1532980528 ZLILOFSEAUZNNP-CVEARBPZSA-N 304.478 4.572 30 20 DJED CCC(C#N)(CC)C(=O)N1C[C@H](C(C)(C)C)Cc2ccccc21 1535360924 VSRWHBFXRCWHHQ-MRXNPFEDSA-N 312.457 4.568 30 20 DJED CCC[C@@H]1CCc2ccccc2N1CCOc1ccccc1C#N 1559626140 LRPMLWVWGCMVPH-LJQANCHMSA-N 320.436 4.559 30 20 DJED Cc1nc(NC[C@@H](c2ccccc2)C2CC2)c(Cl)cc1C#N 1612426079 QUEHUSFPOTYWAK-INIZCTEOSA-N 311.816 4.521 30 20 DJED Cc1ccc2c(c1C)N(Cc1ccc(Cl)cc1C#N)CCC2 1618591811 ZSFVIYOMMRFCDD-UHFFFAOYSA-N 310.828 4.781 30 20 DJED Cc1ccc(N(CCOc2cccc(C#N)c2)CC(C)C)c(C)c1 1643700904 LZJDVYICLOOLHP-UHFFFAOYSA-N 322.452 4.717 30 20 DJED Cc1ccc(-c2ncc(CNc3cc(C#N)ccc3C)s2)cc1 1657496413 LNSXUWSNJBBJLU-UHFFFAOYSA-N 319.433 4.911 30 20 DJED CN(C(=O)Nc1ccc(CC#N)cc1)c1cccc2ccccc12 1665116007 QWRBMLNWEFYPPC-UHFFFAOYSA-N 315.376 4.574 30 20 DJED CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 1672794743 SKJQIBQJBWNYRE-BLLLJJGKSA-N 319.836 4.644 30 20 DJED CC(C)(C)Oc1cccc(NC(=O)Nc2cccc(CC#N)c2)c1 1677654234 RTWSEQKEVLLODG-UHFFFAOYSA-N 323.396 4.574 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1cccc2cccnc12 43529506 JEOOBMPSGDEAFL-UHFFFAOYSA-N 323.421 4.516 30 20 DJED Cc1cccc(Cl)c1NC(=O)c1cccc(SCC#N)c1 85296412 XQPWOTVKJXFGAW-UHFFFAOYSA-N 316.813 4.516 30 20 DJED Cc1nc(-c2ccccc2F)sc1C(=O)/C=C/c1cccnc1 102971212 SHEAAAOOJHWVGX-CMDGGOBGSA-N 324.380 4.549 30 20 DJED Cc1cc(N2CCCC2)ccc1N[C@@H](C)c1ccc(C#N)cc1 121560298 LUQUNKIVACKPRP-INIZCTEOSA-N 305.425 4.640 30 20 DJED Cc1ccc(C)c(COc2ccc(Br)cc2C#N)c1 124447741 ROUNIQGYOPJLAI-UHFFFAOYSA-N 316.198 4.517 30 20 DJED N#Cc1ccc(CN[C@@H](Cc2ccccc2)c2cccs2)s1 176971438 XQFTWZKRGSVHOD-KRWDZBQOSA-N 324.474 4.755 30 20 DJED Cc1[nH]c2ccc(Cl)cc2c1C(=O)Nc1cccc(C#N)c1C 179046910 DEGKMKMJRRBSFB-UHFFFAOYSA-N 323.783 4.562 30 20 DJED C[C@H](NC[C@@H](C#N)CCC#N)c1ccc(Cl)c2ccccc12 184923964 LNHFRGWQYSBNNE-UONOGXRCSA-N 311.816 4.587 30 20 DJED C=C(C)[C@H](NC(=O)[C@@H](C)c1cccs1)c1ccc(F)c(F)c1 186053458 DAMLDEOSTZLWPK-ZBEGNZNMSA-N 321.392 4.563 30 20 DJED Cc1cc2c(cc1C)[C@H](NCC(C)(C)CCC#N)CCS2 348239756 CGOIRRURHLBIIJ-MRXNPFEDSA-N 302.487 4.760 30 20 DJED C=CCSCCN[C@@H](C)c1csc(-c2csc(C)n2)c1 358031821 ZGJDMCDSAPSCCA-NSHDSACASA-N 324.540 4.750 30 20 DJED C=CCc1cc(/C=C\c2ccc3ccccc3n2)cc(OC)c1O 436937550 FTAHDYNUVOZSRZ-LUAWRHEFSA-N 317.388 4.848 30 20 DJED N#Cc1ccc(CN[C@@H](c2ccc(F)c(Cl)c2)C2CC2)cc1 449447722 BGKKVVXIZOLZJR-GOSISDBHSA-N 314.791 4.592 30 20 DJED CC(C)(C#N)CCCNC(C)(C)c1ccc(Br)cc1 472433686 ONJPEFVLMCTNKJ-UHFFFAOYSA-N 323.278 4.604 30 20 DJED CCCC1CCC(NC(=O)C[C@@H](CC#N)c2ccccc2)CC1 475123125 WRQAUTURDIKWCY-CUYAVPTFSA-N 312.457 4.549 30 20 DJED CC(=O)c1ccc(OCc2ccc(Cl)cc2C#N)c(Cl)c1 478873395 YBIMTGRKOCKGBB-UHFFFAOYSA-N 320.175 4.647 30 20 DJED CCN(Cc1cccc(OC(C)C)c1)[C@H](C)c1ccc(C#N)cc1 497599901 NHSDXFLYUPBOJP-QGZVFWFLSA-N 322.452 4.929 30 20 DJED C[C@@H](CC(=O)N[C@@H](C#N)c1ccccc1Cl)C1CCCCC1 499931976 LXACPCRKNKQSDI-GUYCJALGSA-N 318.848 4.627 30 20 DJED CCC(C)(C)CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 505351121 RKXFMOGCLCGBAF-GFCCVEGCSA-N 313.228 4.501 30 20 DJED N#Cc1csc(CN2CC=C(c3ccc(Cl)cc3)CC2)c1 506328078 SQZYSNSCEHFFCS-UHFFFAOYSA-N 314.841 4.562 30 20 DJED CC(C)CCN(CCC#N)Cc1csc(-c2ccccc2)n1 513716575 DOQKVXBYFHQJNT-UHFFFAOYSA-N 313.470 4.572 30 20 DJED CC(C)(CCC#N)CNCc1ccc(F)c(Cl)c1Cl 520279873 BLEOOOGRFCYFSG-UHFFFAOYSA-N 303.208 4.552 30 20 DJED Cn1ccc2c(NCc3ccccc3C(C)(C)C#N)cccc21 532262232 DSTZFNAITWXGFT-UHFFFAOYSA-N 303.409 4.592 30 20 DJED CCCN(Cc1ccc(C#N)cc1)[C@H](C)c1ccc(F)cc1F 561816905 QPDPJGJYHTWTSQ-CQSZACIVSA-N 314.379 4.810 30 20 DJED N#CCCC1CCN(C(c2ccccc2)c2ccccc2)CC1 569099855 OXVFQJMGOVMQAD-UHFFFAOYSA-N 304.437 4.792 30 20 DJED C/C=C\c1ccc(NC2CCN(c3ccc(C#N)cc3)CC2)cc1 569828196 VYPNPNMTCXMPLR-IHWYPQMZSA-N 317.436 4.672 30 20 DJED N#CCCCCCC(=O)NCC1CCC(c2ccccc2)CC1 588157353 IBLVMHFBURJSPE-UHFFFAOYSA-N 312.457 4.551 30 20 DJED CCC(CC)[C@H](NC(=O)CCCCCC#N)c1cccs1 588890091 WTPHVPHKZYFWOM-KRWDZBQOSA-N 306.475 4.816 30 20 DJED C[C@@H](CC(F)(F)F)N[C@@H](C)c1ccc(F)cc1C(F)(F)F 623961891 RAKOAOLKJIEIQN-YUMQZZPRSA-N 317.248 4.836 30 20 DJED C=CCN(C(=O)N[C@H](CCCC)c1ccc(OC)cc1)C(C)C 728751610 IKTJYUSHANINBY-GOSISDBHSA-N 318.461 4.533 30 20 DJED CCOc1ccc(/C=C2\Cc3c(C)cccc3C2=O)cc1OCC 729150794 MSEFFETVWOXGSQ-LFIBNONCSA-N 322.404 4.615 30 20 DJED C[C@@H](CC1CCCC1)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 734078901 DQWKBAQLYOUDCO-YOEHRIQHSA-N 306.409 4.627 30 20 DJED Cc1ccc(F)c(/C=C\C(=O)c2ccc(OC(F)F)cc2)c1 734979583 AWEIFGRXXUTIIW-UITAMQMPSA-N 306.283 4.632 30 20 DJED C=CC[C@@H](C)NCc1c(C)nn(-c2ccc(Cl)cc2)c1Cl 735085648 GBBSPSYNXNGRMQ-LLVKDONJSA-N 324.255 4.542 30 20 DJED Cn1cc(C(=O)/C=C\c2cnc(C(C)(C)C)s2)c2ccccc21 736433635 HXQWADASEWGDTD-KTKRTIGZSA-N 324.449 4.828 30 20 DJED COc1cccc(NN=C(C)c2cccc(-c3ccncc3)c2)c1 741462881 XMGPGBNMMZRIOG-UHFFFAOYSA-N 317.392 4.593 30 20 DJED Cc1cc(F)ccc1/C=C/C(=O)c1cccc(OC(F)F)c1 750904395 VKJQZNZFFCVHEL-SOFGYWHQSA-N 306.283 4.632 30 20 DJED O=C1/C(=C/c2csc([N+](=O)[O-])c2)CCc2ccc(Cl)cc21 761206050 NBBJUGTYDGJTTO-VZUCSPMQSA-N 319.769 4.522 30 20 DJED CO[C@H](C/N=C\c1cc(Cl)ccc1O)c1ccccc1Cl 763097003 MEKKLNRDDBVTEU-OSSOMXAKSA-N 324.207 4.506 30 20 DJED Cc1cccnc1NN=CC(c1ccccc1)c1ccccc1 790187183 VDSVWFYMUSGJLU-UHFFFAOYSA-N 301.393 4.620 30 20 DJED CC(=NNc1c(Cl)cc(F)cc1Cl)c1ccnc(F)c1 794923504 QEKIGXJBPJDWQQ-UHFFFAOYSA-N 316.138 4.503 30 20 DJED C[C@@H]1/C(=C\c2cccc(OCCCC#N)c2)C(=O)c2ccccc21 809157611 UHFVKDSKYAOZAH-AUQXIXNCSA-N 317.388 4.753 30 20 DJED CSCC1CCC(=NNc2nccc3sccc23)CC1 834940594 ABSWPSKYUQVYBA-UHFFFAOYSA-N 305.472 4.617 30 20 DJED CCOC1CCC(=NNc2ccnc3cc(Cl)ccc23)CC1 853258733 BACKMEDGJZFKBU-UHFFFAOYSA-N 317.820 4.635 30 20 DJED CC1(C#N)CCC(Nc2ccccc2COC(C)(C)C)CC1 903295382 ZUSQWBUDNIWMAQ-UHFFFAOYSA-N 300.446 4.886 30 20 DJED COc1cccc2cc(/C=C\C(=O)c3cc(F)ccc3F)oc12 916134694 OIQVEJWRGCBRJD-VURMDHGXSA-N 314.287 4.616 30 20 DJED CCCCCCCCC(=O)Nc1cccc(-c2nccn2C)c1 918647756 IPTXNMOTYMZTRJ-UHFFFAOYSA-N 313.445 4.776 30 20 DJED CCC(C)(C)C1CCC(CC(=O)Nc2ccc(C#N)cn2)CC1 1125854498 HSUWDJKBEQUDHY-UHFFFAOYSA-N 313.445 4.524 30 20 DJED CC(C)(CC#N)CSc1nc(-c2ccc(F)cc2)cs1 1164510201 QELLIALQPIMFEH-UHFFFAOYSA-N 306.431 4.981 30 20 DJED C=CCCCc1nnc([C@H](C)Oc2ccc3ccccc3c2)o1 1261569488 HURDIFSNCAFZNV-AWEZNQCLSA-N 308.381 4.872 30 20 DJED CCC[C@H](CC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 1264597192 ZFWJNZOFKAQUPH-HNNXBMFYSA-N 323.396 4.510 30 20 DJED CC(C)(C#N)CCCN1CCC(Nc2ccccc2Cl)CC1 1334934413 AJUIJHRIZLEJJM-UHFFFAOYSA-N 319.880 4.546 30 20 DJED Cc1cccc([C@@H](C)SCCC(=O)Nc2cccc(C#N)c2)c1 1339563026 VDYDDGLBBVLRRM-OAHLLOKOSA-N 324.449 4.690 30 20 DJED CC(C)Cc1cccc([C@@H](C)NCc2cccc(OCC#N)c2)c1 1340989180 COJPHTMUKPNXCF-QGZVFWFLSA-N 322.452 4.638 30 20 DJED Cn1c(C#N)ccc1C(=O)OC1CCCCCCCCCCC1 1352588616 SVUTUWYATSUKBD-UHFFFAOYSA-N 316.445 4.727 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)CC1(C)CCCCC1 1358460431 SNCWRVDQJCFZAY-UHFFFAOYSA-N 312.457 4.657 30 20 DJED CC(C)c1nc(Sc2cccc(C#N)c2)cc(C(C)(C)C)n1 1458237664 NXWWEDNXOXJUHB-UHFFFAOYSA-N 311.454 4.920 30 20 DJED Cc1ccc2c(c1F)N(Cc1ccccc1C(C)(C)C#N)CCC2 1460201699 NYNQRBVULIJBNJ-UHFFFAOYSA-N 322.427 4.888 30 20 DJED CCC[C@@H](CC1CCCCC1)C(=O)Nc1cc(C#N)cc(C)n1 1534293928 JKHDXLUPWIGQIB-KRWDZBQOSA-N 313.445 4.587 30 20 DJED CCN(C(=O)C1C[C@@H](C)C[C@H](C)C1)c1ccc(C#N)c(Cl)c1 1544756854 FEFJIVMMOWBRQA-STQMWFEESA-N 318.848 4.637 30 20 DJED N#Cc1ccc(SCc2cccc(CN3CCCCC3)c2)cc1 1559361544 DMEYQVKDJAPTLM-UHFFFAOYSA-N 322.477 4.836 30 20 DJED CC(C)(C)[C@H](NCCc1ccc(C#N)cc1)c1ccc(F)cc1 1559604797 QMUCXMKNQHHYJK-LJQANCHMSA-N 310.416 4.617 30 20 DJED C[C@@H]1c2c(sc(NC(=O)c3ccccc3)c2C#N)CC[C@H]1C 1584026357 WBHBHNNSHCPZCD-NEPJUHHUSA-N 310.422 4.558 30 20 DJED N#Cc1ccnc(CSc2nc(C3CCCCC3)cs2)c1 1614875619 NHQUBAYYOXGNIE-UHFFFAOYSA-N 315.467 4.750 30 20 DJED CC[C@@H](C)[C@H](C)N(Cc1ccc(C#N)cc1OC(F)F)C1CC1 1615470258 WVDZKMGVGIMNIB-OLZOCXBDSA-N 322.399 4.559 30 20 DJED Cc1ccccc1SC[C@H](C)COc1ccc(C#N)c(F)c1 1640924786 UEWDCQJVKKKALP-CYBMUJFWSA-N 315.413 4.813 30 20 DJED CCc1cc2c(Oc3ccc(C#N)cc3C)nc(C)nc2s1 1642189015 RWLPGABFZQKQIR-UHFFFAOYSA-N 309.394 4.535 30 20 DJED Cc1cc(N2CCCC[C@@H]2C)ccc1Nc1ncc(C#N)cc1F 1642442015 UQKQDHBGZRZNCR-AWEZNQCLSA-N 324.403 4.523 30 20 DJED Cc1cc(N2CCc3c(-c4ccccc4)cccc32)ncc1C#N 1642546556 ZTXKWOPQRZRMRA-UHFFFAOYSA-N 311.388 4.623 30 20 DJED CC[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(F)c(C#N)c1 1644702067 UCUMBMFISACYPT-PZJWPPBQSA-N 322.427 4.856 30 20 DJED Cc1ccnc(NCc2cccc(Oc3ccccc3)c2)c1C#N 1654974629 MDDJJVOIYNNYQM-UHFFFAOYSA-N 315.376 4.666 30 20 DJED CCCCCCCNc1nc2ccccc2c(C)c1C(=O)O 1776785892 ISINRMZHJPNNFX-UHFFFAOYSA-N 300.402 4.624 30 20 DJED O=C(O)c1ccc2scc(/C=C/C(=O)c3cccs3)c2c1 1777683990 NDBANSNCCVLUIA-HWKANZROSA-N 314.387 4.557 30 20 DJED C=CCc1cc(-c2nc3ccccc3n2C(C)C)cc(OC)c1O 60790858 QYDUVGDZTDUBCH-UHFFFAOYSA-N 322.408 4.727 30 20 DJED C[C@H](Nc1cccc(OCCCC#N)c1)c1cc(F)ccc1F 79724198 OFPYFFUIWRHVPW-ZDUSSCGKSA-N 316.351 4.820 30 20 DJED C#Cc1cccc(NC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c1 110082206 PQFLHKFFJJCYQV-INIZCTEOSA-N 318.420 4.501 30 20 DJED C[C@@H]1C[C@H]1[C@H](NCc1cc(C#N)cs1)c1ccc(Cl)cc1 177706673 FUJOMOZHSXSLAK-SSKCKEOISA-N 316.857 4.760 30 20 DJED CC1(C)CCC(CC(=O)[C@@H](C#N)c2nc3ccccc3o2)CC1 178716747 MQXGUOVWQBZCQH-CQSZACIVSA-N 310.397 4.611 30 20 DJED C[C@@H](NCc1ccc(F)cc1C#N)c1ccc(Cl)c(Cl)c1 181531095 MLGQQDOQCSJAET-SNVBAGLBSA-N 323.198 4.855 30 20 DJED CCCCCCCCC(=O)Nc1cccc(NC(C)=O)c1C 248260446 MHPHKWIDQFMWBS-UHFFFAOYSA-N 304.434 4.643 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2ccc(N3CCCCC3)cc2)s1 255757026 STJUVUSZANLCEZ-KHPPLWFESA-N 322.433 4.506 30 20 DJED Cc1cc(N[C@H](C)c2cc(Cl)ccc2Cl)nn1CCC#N 270980760 BKCBYHCQNBVLPD-LLVKDONJSA-N 323.227 4.585 30 20 DJED CC(C)[C@H](Nc1ncccc1C#N)c1ccc(C(F)(F)F)cc1 301794090 PNLUXUCOHYKXAN-HNNXBMFYSA-N 319.330 4.781 30 20 DJED Cc1ccc(COc2cc(Br)ccc2C#N)cc1C 308149575 MBVGAFJHJIBOGO-UHFFFAOYSA-N 316.198 4.517 30 20 DJED OC(=Nc1cccc(-c2nc[nH]n2)c1)[C@@H]1CCC[C@H]2CCCC[C@H]21 329170066 JWBGJGTUMVXVRX-KBRIMQKVSA-N 324.428 4.666 30 20 DJED CC(C)(CC1CCCCCC1)/N=C(/O)[C@H]1CCc2c[nH]nc2C1 329942413 CUVPMEWZIJLNOP-HNNXBMFYSA-N 317.477 4.610 30 20 DJED Cc1cc(/C(O)=N/[C@@H](C#N)C(C)(C)C)c(C)n1C1CCCCC1 331186372 JAXMXVUALQVVAF-KRWDZBQOSA-N 315.461 4.853 30 20 DJED Cc1cccc([C@H](C)[S@](=O)CCC2(C#N)CCCCC2)c1 417142418 FFVZISLGHBBEIW-HRAATJIYSA-N 303.471 4.669 30 20 DJED Cc1cccc([C@H](N[C@@H]2CC[C@H](C#N)C2)c2cccc(F)c2)c1 424329156 PHGJOBXURDZJCF-BEVDRBHNSA-N 308.400 4.505 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1nc(C(C)(C)C)cs1 425539647 UDUYQYCUKULGEH-ZDUSSCGKSA-N 313.470 4.505 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(SC(C)C)cc1 436305902 IGFQJKDLDOMRBB-WDYCEAGBSA-N 319.514 4.819 30 20 DJED CC1(C#N)CCC(NCc2ccc(-c3ccco3)cc2F)CC1 449291002 IIGAZXGWYIISSH-UHFFFAOYSA-N 312.388 4.648 30 20 DJED CC(C)[C@@H](c1ccccc1)N(C)C(=O)[C@H](C)c1cccc(C#N)c1 463817252 KLSHHWCXIKGSKI-UZLBHIALSA-N 320.436 4.517 30 20 DJED C=CC[C@@H]1N(C(=O)c2coc(-c3ccccc3)n2)CCCC1(C)C 470279215 JRLRLZBGYFFOEM-KRWDZBQOSA-N 324.424 4.549 30 20 DJED CC(C)(CF)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 472157815 MWWGKQPIHVIZHI-UHFFFAOYSA-N 317.248 4.562 30 20 DJED N#CC[C@H](CC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccccc1 474418040 WJANLZJDRFSYTF-VNTMZGSJSA-N 324.468 4.549 30 20 DJED C[C@H](N[C@H]1CC[C@@H](c2cccc(F)c2)C1)c1cccc(C#N)c1 479528798 OXOZMKSEDBRYSO-QMIHWGKISA-N 308.400 4.684 30 20 DJED C=C(C)[C@H](N[C@H](C)c1ccc(Cl)cn1)c1ccc(F)c(F)c1 480676845 OWDSVGXJTYJMTM-DIFFPNOSSA-N 322.786 4.981 30 20 DJED N#Cc1cc(Cl)ccc1CNC1(c2ccccc2)CCCC1 480894917 GYTFWKLNIJQOGA-UHFFFAOYSA-N 310.828 4.771 30 20 DJED Cc1cc(CN(C)[C@H](C)c2nc3ccccc3s2)ccc1C#N 488178227 GUDYFCLGUXBNBZ-CQSZACIVSA-N 321.449 4.669 30 20 DJED CCCCCn1cc(CNc2c(Cl)cccc2C#N)c(C)n1 502799475 LYKJPEAWLQZZIM-UHFFFAOYSA-N 316.836 4.519 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)N[C@H](C)c1ccc(C#N)cc1 510040541 KUERABAKQSQEGB-CRAIPNDOSA-N 312.457 4.732 30 20 DJED CC(C)OCc1ccccc1CNc1ccc(Cl)cc1C#N 517796982 NGEXIVCPNZANMG-UHFFFAOYSA-N 314.816 4.749 30 20 DJED C=CC1CCN(C(=O)CC2CCC(c3ccccc3)CC2)CC1 518382430 XFXZUPQEPPZDOZ-UHFFFAOYSA-N 311.469 4.775 30 20 DJED C=CCCO[C@@H](C)C(=O)N[C@@H](CC(C)C)c1ccc(Cl)cc1 525026609 CZAKZXLMEKRDOH-YOEHRIQHSA-N 323.864 4.525 30 20 DJED C[C@@H]1CCCN(c2ccccc2OCc2ccc(C#N)cc2F)C1 553761199 PUBRRMALRLVWCX-OAHLLOKOSA-N 324.399 4.513 30 20 DJED CC(=O)c1c(C)cc(C)c(CN(CCC#N)CC(C)(C)C)c1C 558030239 HGHPWSXEWVAJGO-UHFFFAOYSA-N 314.473 4.576 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@H]2CCc3sc(Cl)cc32)c1 564561837 LFDQEOJZKABNOX-ZDUSSCGKSA-N 316.813 4.575 30 20 DJED C[C@H](Oc1ccccc1NCCCC(C)(C)C#N)C(F)(F)F 565414533 SYAMPOQSSNACBD-LBPRGKRZSA-N 314.351 4.758 30 20 DJED C=CC[C@H]1N(C(=O)Nc2cc(C3CC3)ccn2)CCCC1(C)C 575168453 QADQRDNSSPDOHH-MRXNPFEDSA-N 313.445 4.558 30 20 DJED C[C@H](NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1)c1cccc(C#N)c1 610360668 CBZRQVSYYAKGBT-HLLBOEOZSA-N 312.457 4.588 30 20 DJED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCCC2 618803309 HXBDLVMSRTVSAF-NYHFZMIOSA-N 316.448 4.775 30 20 DJED N#Cc1cc(NC(=O)/C=C\c2ccc(Cl)s2)ccc1Cl 706306477 IGDXWHPJQSYNTA-UTCJRWHESA-N 323.204 4.578 30 20 DJED C[C@H]1C[C@H](Nc2cc(F)cc(C#N)c2)c2ccsc2S1 718509848 JGKSBQNEJILXGU-XPTSAGLGSA-N 304.415 4.796 30 20 DJED CC(=NNc1cnc2ccccc2n1)c1ccc(C(C)C)cc1 727256838 WBCGGQWFNLRDII-UHFFFAOYSA-N 304.397 4.589 30 20 DJED CC(C)CC(CC(C)C)NCc1ccc(O[C@H](C)C#N)cc1 728781910 IQSLDGFQQIPLEE-MRXNPFEDSA-N 302.462 4.528 30 20 DJED COc1ccc(Cl)cc1C(=O)/C=C\c1ccc(F)c(F)c1 730584943 ILLOOOXQZFBAQL-UTCJRWHESA-N 308.711 4.523 30 20 DJED CCCCC[C@@H](C)CC(=O)Nc1cc(C#N)ccc1OC(F)F 742629008 BRFQOUFJDLDPFE-GFCCVEGCSA-N 324.371 4.705 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)C[C@@H](C)CC(C)(C)C)n1 747193664 MBACAFAILIPQIC-OLZOCXBDSA-N 306.475 4.905 30 20 DJED O=C1/C(=C/c2coc(-c3ccccc3)n2)CCc2cc(F)ccc21 749893282 FGAGZADYHZZHDL-RVDMUPIBSA-N 319.335 4.693 30 20 DJED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C1CCCCCCC1 752045986 IDPHJCCKSMQTBX-PMACEKPBSA-N 324.468 4.645 30 20 DJED CCc1cnccc1C(=O)/C=C\c1ccc(C(F)(F)F)cc1 766771634 GIYVQLJEYWBRND-YVMONPNESA-N 305.299 4.559 30 20 DJED CCc1ccc([C@@H](C)C(=O)OCCCCC(C)(C)C#N)cc1 768675352 AFIYAPPEKGCONV-OAHLLOKOSA-N 301.430 4.616 30 20 DJED Cc1nc(CC(C)C)sc1C(=O)OCCCCC(C)(C)C#N 768681423 YVWXCVCKABFMBU-UHFFFAOYSA-N 322.474 4.527 30 20 DJED C=CCOc1ccccc1CN[C@@H](C)c1cc2ccccc2[nH]1 775635420 YDHUIIMUWCRZSX-HNNXBMFYSA-N 306.409 4.584 30 20 DJED C#CCOc1ccc([C@H](C)Nc2ccc(COC(C)C)cc2)cc1 776872445 FJOFJMXGAALKJO-KRWDZBQOSA-N 323.436 4.797 30 20 DJED CCC(=NNc1nc(C(F)(F)F)cs1)c1ccccc1F 778541526 KYPMNABZWHUHHE-UHFFFAOYSA-N 317.311 4.527 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc(Cl)c(Cl)n1)c1ccccc1 782849663 WCZTYDOSQWXLFH-GFCCVEGCSA-N 321.207 4.687 30 20 DJED C=CCCN(C)C(=O)c1cc(-c2ccccc2)nc2ccccc12 786670804 NWQLDKRLZPPHPJ-UHFFFAOYSA-N 316.404 4.550 30 20 DJED CC(=NNc1nccc2sccc12)C1CCC(F)(F)CC1 788714971 SYCFBYRTLRVHJP-UHFFFAOYSA-N 309.385 4.910 30 20 DJED O=C1/C(=C\c2ccnc(Cl)c2Cl)CCc2ccccc21 791435169 QERJELVQVZLUAN-XFXZXTDPSA-N 304.176 4.601 30 20 DJED Cc1cc(C(=O)/C=C/c2ccc(OCC(F)(F)F)cc2)oc1C 799895554 CSTUBHJJRCLBGN-VMPITWQZSA-N 324.298 4.734 30 20 DJED N#CCCCCCC(=O)Oc1ccc2oc3c(c2c1)CCCC3 805856776 AZHKJMFDYFZBKI-UHFFFAOYSA-N 311.381 4.691 30 20 DJED Cc1ncccc1/C=C/C(=O)c1csc(-c2ccccc2F)n1 812245099 PHDFZCGIMRYYFM-CMDGGOBGSA-N 324.380 4.549 30 20 DJED CC[C@H](C=NNc1nc(C(F)(F)F)cs1)c1ccccc1 814867998 SIIQMBXGZFTEFE-SNVBAGLBSA-N 313.348 4.753 30 20 DJED CC(C)=CCC[C@H](C)CC(=O)[C@@H](C#N)c1nc2ccccc2o1 842693557 HUKCORCPLYCDAN-LSDHHAIUSA-N 310.397 4.777 30 20 DJED C#Cc1cccc(NC(=O)NC2CCC(c3ccccc3)CC2)c1 915339945 UHMQXBLQFXHRBI-UHFFFAOYSA-N 318.420 4.516 30 20 DJED CC1(C)Oc2ccc(N=Cc3c(O)ccc4ccccc34)cc2O1 915982953 JZEYEAQVEJUBHG-UHFFFAOYSA-N 319.360 4.803 30 20 DJED N#Cc1ccc(Oc2ccc(NC(=O)C=C3CCCC3)cc2)cc1 921010125 MTPJHOORFLYOQZ-UHFFFAOYSA-N 318.376 4.789 30 20 DJED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1coc2ccccc12 926314930 JAPJISDBOXNROM-YJYMSZOUSA-N 302.377 4.643 30 20 DJED Cc1ccc(C(=O)N[C@H](c2ccccc2C)C(C)(C)C)cc1C#N 1126881225 HFMRHAVRUHVODF-LJQANCHMSA-N 320.436 4.692 30 20 DJED CCN(Cc1ccc(Oc2ccccc2)c(F)c1)C[C@@H](C)C#N 1190644096 UHRLHVHPEAQTTL-HNNXBMFYSA-N 312.388 4.600 30 20 DJED CCCCCCCCOCc1nnc(-c2ccccc2C)o1 1257847503 MIQFSXXETRKAPC-UHFFFAOYSA-N 302.418 4.922 30 20 DJED CSc1ccccc1[C@@H](C)OC(=O)c1ccc(C)c(C#N)c1 1272305681 QYPTZXJWPOKUAT-CYBMUJFWSA-N 311.406 4.507 30 20 DJED N#CC[C@H](C(=O)Nc1cccc(C2CCC2)c1)c1ccccc1 1274339775 NLRLNYMMJQKYMC-IBGZPJMESA-N 304.393 4.590 30 20 DJED C=C[C@H](CC(=O)NCc1cccc(C(F)F)c1)c1ccccc1 1324297471 JIGPWTHODFDCFN-OAHLLOKOSA-N 315.363 4.600 30 20 DJED CC1(C)[C@@H](C(F)(F)F)CCN1CCCCC1(C#N)CCC1 1341322000 CNODPMZBPRAQBH-ZDUSSCGKSA-N 302.384 4.513 30 20 DJED C[C@@H](CC1CCCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1435301451 DDMQTHRLGMZGCZ-NSHDSACASA-N 324.346 4.732 30 20 DJED Cc1c(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)sc2cc(F)ccc12 1528490805 SYOFYYRWLLQTKC-DGCLKSJQSA-N 317.385 4.588 30 20 DJED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 1530388359 MYNRBQAPGGXNQX-OLZOCXBDSA-N 316.470 4.653 30 20 DJED Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CC2(C#N)CCCCC2)C1 1538838048 YFBTVIRUBGYPOA-ROUUACIJSA-N 324.468 4.564 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CCC[C@H]1CCC 1543963447 XWGZDTZRZUDWLF-CVEARBPZSA-N 313.445 4.535 30 20 DJED Cc1c(Cl)cnc(N2CCC[C@H]2/C=C\c2ccccc2)c1C#N 1559292358 NOCFSZOWXIWMBQ-YDZSZYSISA-N 323.827 4.597 30 20 DJED C[C@@H]1CCc2sc(NC(=O)c3ccccc3)c(C#N)c2[C@@H]1C 1584026365 WBHBHNNSHCPZCD-VXGBXAGGSA-N 310.422 4.558 30 20 DJED CC[C@@H](OC(=O)c1cccc(CC#N)c1)c1ccc(F)c(C)c1 1584319720 TVJICHHTFPZNMW-GOSISDBHSA-N 311.356 4.508 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H]2CCCC[C@@H]2C)n1 1613423803 MNQICRIUVDUTBP-TVQRCGJNSA-N 314.376 4.951 30 20 DJED CC1CC(C#N)(C(=O)NC(C2CCCCC2)C2CCCCC2)C1 1633130303 FHRCJSKGYHGHAJ-UHFFFAOYSA-N 316.489 4.572 30 20 DJED Cc1nc(NCCC(C)(C)c2ccccc2)c(Cl)cc1C#N 1639330477 JSAFZLLSYDTREX-UHFFFAOYSA-N 313.832 4.695 30 20 DJED Cc1nc(Sc2cccc(C#N)c2)c2c3c(sc2n1)CCC3 1642386203 NPCAWHUREYVXJM-UHFFFAOYSA-N 323.446 4.511 30 20 DJED COc1ccc(CN(CC(C)C)c2ccc(C#N)cc2)cc1C 1652789616 XJWWRXBWBATMOT-UHFFFAOYSA-N 308.425 4.538 30 20 DJED CC(C)c1ccc(CN(Cc2ccc(C#N)c(F)c2)C2CC2)cc1 1657653485 RHBSSPFVFAJHHC-UHFFFAOYSA-N 322.427 4.985 30 20 DJED CC[C@@H](CC#N)NC/C=C/c1ccc(OCc2ccccc2)cc1 1658140934 KMPHCNCGOYSXSU-ZGBFETHSSA-N 320.436 4.561 30 20 DJED CCC(C)(C)c1ccc(CNC(=O)Nc2cccc(C#N)c2)cc1 1665582333 MHXZNWKNPLMQCU-UHFFFAOYSA-N 321.424 4.568 30 20 DJED CCOCc1cccc(NCc2cccc(OCCCC#N)c2)c1 128944211 PFNBXPHGBMQTMH-UHFFFAOYSA-N 324.424 4.518 30 20 DJED N#Cc1ccc(CN[C@@H](c2ccccc2F)C2CCCC2)s1 154232679 JJOQSNGJKJLLPP-GOSISDBHSA-N 314.429 4.780 30 20 DJED C[C@@H](CC1CCCCC1)C(=O)[C@@H](C#N)c1nc2ccccc2o1 172086818 VTXLYDADWHUNAT-DZGCQCFKSA-N 310.397 4.611 30 20 DJED C[C@H](N[C@@H]1c2ccccc2CC[C@@H]1C)c1ccc(OCC#N)cc1 182090040 FERZNLYKXKZVNU-QYWGDWMGSA-N 320.436 4.563 30 20 DJED CC[C@@H](CC#N)NC(=O)Nc1ccc(C(C)C)cc1C(C)C 184558724 DUPFAOKUGVFRAE-HNNXBMFYSA-N 301.434 4.747 30 20 DJED O=C1/C(=C\c2cncs2)CCc2c(Cl)sc(Cl)c21 255324416 IRLSRTMWXCDFGL-UTCJRWHESA-N 316.234 4.724 30 20 DJED CSc1ccc(C(=O)/C=C\c2ccc(C#N)s2)c(Cl)c1 255388524 KVQPHTVLJXKAEY-ALCCZGGFSA-N 319.838 4.891 30 20 DJED N#Cc1c(Cl)nsc1N[C@@H](c1ccc(F)cc1)C1CCC1 301964065 SVWYNURBEQUPEL-CYBMUJFWSA-N 321.808 4.761 30 20 DJED N#Cc1ccc(N[C@H](c2ccccc2)c2ccc(F)cc2)cc1 320266748 DGNDSCRLHBVPAN-HXUWFJFHSA-N 302.352 4.899 30 20 DJED CC(C)[C@@H]1CCC[C@H](/N=C(/O)[C@H]2CCC(=O)c3cccn32)CC1 329864545 SQVWTRQGXHCPPA-HLLBOEOZSA-N 316.445 4.567 30 20 DJED C[C@H]1CC[C@H](NC2(c3cccc(C#N)c3)CC2)c2ccccc21 342801779 YKGOMRMFBMHXJE-YWZLYKJASA-N 302.421 4.776 30 20 DJED CCc1c(C(=O)N(CCC#N)C(C)(C)CC)oc2ccccc12 410725813 PTXAIIKKBQJYLI-UHFFFAOYSA-N 312.413 4.540 30 20 DJED C=CCC(C)(C)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl 429824158 DCBMWEOFIAHXCZ-SNVBAGLBSA-N 300.229 4.773 30 20 DJED C=CCC[C@@H](NC(=O)N[C@H]1CCCc2occc21)c1ccccc1 434987964 WXUYNSQSZILLCO-MSOLQXFVSA-N 324.424 4.664 30 20 DJED C=CCCO[C@H](C)c1nc(C(C)(C)c2ccccc2Cl)no1 445684652 OSXPZFJUBHKDRP-GFCCVEGCSA-N 320.820 4.703 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 467832030 NIUVSRMHFYHWID-UHFFFAOYSA-N 309.413 4.537 30 20 DJED N#C[C@@H]1CC[C@@H](N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 471583833 BWMOQNIWKODGMY-ZMYBRWDISA-N 310.828 4.711 30 20 DJED N#C[C@@H]1CC[C@@H](N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 471606613 OIPQYUNDIBSKGX-NSISKUIASA-N 324.855 4.906 30 20 DJED CCc1ccc([C@H](C)NC(=O)C[C@H](CC#N)c2ccccc2)cc1 474188766 JMSOAEOFMGKUTJ-JXFKEZNVSA-N 320.436 4.514 30 20 DJED Cc1coc2ccc(NC(=O)C[C@@H](CC#N)c3ccccc3)cc12 476813850 HNUAHGTWMJMZSA-MRXNPFEDSA-N 318.376 4.767 30 20 DJED C[C@@H](SCc1cccc(C#N)c1F)c1nc2ccccc2o1 481982546 HZHJNEVYLOPSHJ-LLVKDONJSA-N 312.369 4.833 30 20 DJED CC(=O)c1ccc2cc(Oc3ncc(C#N)cc3Cl)ccc2c1 484817523 GVJAEDJYDQZFQS-UHFFFAOYSA-N 322.751 4.755 30 20 DJED C=CCCCCCSCCC(=O)N1CCc2sccc2C1 485598969 HUJMEJORIYRVQC-UHFFFAOYSA-N 323.527 4.503 30 20 DJED COc1ccc(Cl)cc1NCc1ccccc1C(C)(C)C#N 486469172 NNINUHLXHVREFU-UHFFFAOYSA-N 314.816 4.762 30 20 DJED COc1cc(C#N)ccc1CNc1cccc(OC2CCCC2)c1 500847775 RXXQIKOTSJLALQ-UHFFFAOYSA-N 322.408 4.500 30 20 DJED C[C@@H](Cc1ccc(Cl)cc1Cl)NCc1cccc(C#N)c1 507911837 CUWQXKYQIDKKMA-LBPRGKRZSA-N 319.235 4.586 30 20 DJED C=CCOc1cccc(NC(=O)N[C@H](c2ccccc2)C2CC2)c1 510521813 FSEQGKCBOSVITO-LJQANCHMSA-N 322.408 4.524 30 20 DJED Cc1ccccc1CNc1ncc(Cc2ccc(C#N)cc2)s1 543678791 JCVKGTDEIQRFKP-UHFFFAOYSA-N 319.433 4.526 30 20 DJED C=CCC[C@@H](Nc1cnn(-c2ccccc2F)c1)c1ccco1 560552823 HQXGAOBZNBHVKN-MRXNPFEDSA-N 311.360 4.724 30 20 DJED Cc1ccc2sc(C(=O)N[C@H](C)c3ccc(C#N)cc3)cc2c1 582455510 XONDIUBNXPFEMY-CYBMUJFWSA-N 320.417 4.572 30 20 DJED C[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1 589572424 SSJPYGVETFQOKV-HNNXBMFYSA-N 315.376 4.919 30 20 DJED C[C@@H]1CCC[C@H](C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 610167947 FJALHNQJUNCHIZ-OLZOCXBDSA-N 316.470 4.653 30 20 DJED COc1ccc2c(c1)C(C)(C)C[C@H]2N[C@H](C)c1cccc(C#N)c1 616092253 WZEDPQRZOJIAJW-JLTOFOAXSA-N 320.436 4.640 30 20 DJED CCCc1ccc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)s1 634012307 NADCJIRNULCGPY-GFCCVEGCSA-N 316.451 4.525 30 20 DJED C=CCN(C(=O)c1cc2ccc(F)cc2s1)c1ccccc1 641896899 PFIXISRNBGXTIJ-UHFFFAOYSA-N 311.381 4.873 30 20 DJED CCCCCCCC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 735477627 DYWQCAMPXRZNKS-LJQANCHMSA-N 316.489 4.777 30 20 DJED CCCCCCCCCC(=O)N1CCC[C@@H](N2CCCC2)CC1 737693500 YCAIEMHZPPBHCG-LJQANCHMSA-N 322.537 4.604 30 20 DJED C[C@H](NC(=O)Nc1ccc2ccccc2c1)c1cccc(C#N)c1 743058095 NSXBEGSDCAKWEL-AWEZNQCLSA-N 315.376 4.594 30 20 DJED CCc1cccc2c(/C=C\C(=O)c3ccc(Cl)nc3)c[nH]c12 759084846 YKRLIJWCGBQZTD-VURMDHGXSA-N 310.784 4.675 30 20 DJED C#CC[C@@H](N[C@H](C)c1ccc(SC)c(F)c1)c1ccccc1 773113619 DIMSUKHAHGNYDR-RDTXWAMCSA-N 313.441 4.963 30 20 DJED C[C@H](NC(=O)C=C1CCC1)c1ccc(-c2cccc(C#N)c2)cc1 782485824 MJTLAGPSVGURTI-HNNXBMFYSA-N 316.404 4.513 30 20 DJED Clc1ccc(-c2ccc(C=NOC3CCOCC3)cc2)cc1 789050815 KPQQFWMAENBAFL-UHFFFAOYSA-N 315.800 4.537 30 20 DJED CCCCCCCCC[S@@](=O)Cc1ncc(Cl)s1 790137237 FGFYHUVPYVBOEA-GOSISDBHSA-N 307.912 4.796 30 20 DJED Cc1cnn(C)c1/C=C\C(=O)c1cc2c(ccc3ccccc32)o1 794697602 LMKXQUSSNQYHBK-HJWRWDBZSA-N 316.360 4.524 30 20 DJED CSc1ccc(/C=C/C(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 798231429 HMUADMJHKYBFBT-FNORWQNLSA-N 319.407 4.583 30 20 DJED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCC2CC2)cc1 812466873 NAMQUUXLMPTVLU-FQEVSTJZSA-N 318.420 4.861 30 20 DJED O=C(/C=C\c1ccccc1C(F)(F)F)c1ccc2c(c1)CCO2 834869980 FHQBIHXUTOMELP-ALCCZGGFSA-N 318.294 4.536 30 20 DJED C=CCN(Cc1ccccc1)C(=S)Nc1ccc(CC)cc1 914601672 CKLZUZLQEHFCTN-UHFFFAOYSA-N 310.466 4.634 30 20 DJED Cc1cc([C@H](C)/N=C/c2cc3ccccc3nc2O)c(C)s1 914701437 IHVYCNMEARJHKV-NJDFMEINSA-N 310.422 4.799 30 20 DJED CSc1ccc(C=NNCc2ccc(C(F)(F)F)cc2)cc1 915971941 GHXXESGWHWMDGX-UHFFFAOYSA-N 324.371 4.551 30 20 DJED CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(O)c2)cc1 916133598 BRKXHOBFMHAORR-XYOKQWHBSA-N 310.393 4.640 30 20 DJED COc1ccc(O)c(/C=N\[C@H](C)c2cccc(C(F)(F)F)c2)c1 920944343 BNJPFFVLITYAHW-VARIZKOUSA-N 323.314 4.600 30 20 DJED C/C(=C\c1c(Cl)cccc1Cl)C(=O)O[C@@H]1CC[C@@H](C#N)C1 1122640830 OSPRDSUXBSAEQO-SXSOHVCJSA-N 324.207 4.632 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1ccc(F)cc1Cl 1166377384 KVJRTLCCOXVQJE-UHFFFAOYSA-N 310.155 4.892 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1c(F)cccc1Cl 1167024304 UNJJDEMRCFLDOU-UHFFFAOYSA-N 316.807 4.763 30 20 DJED CN(Cc1ccc(F)c(C#N)c1)[C@@H]1CCCC[C@@H]1c1ccccc1 1171169465 HIUMCPXHTMAETD-TZIWHRDSSA-N 322.427 4.856 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1N[C@@H]1CCCC(F)(F)C1 1185785619 UPQYKGXHZSWVKH-LLVKDONJSA-N 321.758 4.750 30 20 DJED N#Cc1c(F)cccc1OCc1cc(Cl)sc1Cl 1188995361 GJCQONDRBVRZAL-UHFFFAOYSA-N 302.157 4.645 30 20 DJED CC[C@H]1C[C@@H](Nc2ccc(Oc3ccccc3)c(C#N)c2)CCO1 1205493516 YGPKFHSJSXISED-ROUUACIJSA-N 322.408 4.720 30 20 DJED CCCn1c(SCC2(CC#N)CC2)nc2cc(Cl)ccc21 1307258666 FRWVJUPGMZYKME-UHFFFAOYSA-N 319.861 4.886 30 20 DJED CC1(C)CN(Cc2ccc(F)c(C#N)c2)c2cccc(Cl)c21 1307567696 LZPLHAADPLPSHO-UHFFFAOYSA-N 314.791 4.649 30 20 DJED CC(C)(C)c1nnc(-c2ccccc2-c2ccccc2C#N)o1 1324149239 YTMVUJNNFDXSLI-UHFFFAOYSA-N 303.365 4.573 30 20 DJED C[C@H]1C[C@@H](C)C[C@H](C(=O)N(c2cccc(C#N)c2)C2CCC2)C1 1437679095 ZUOWMKXQCCFYFX-QLPKVWCKSA-N 310.441 4.516 30 20 DJED N#Cc1ccc(SCCc2ccc(OC(F)(F)F)cc2)cc1 1458909528 GNSKODBCNKFDPC-UHFFFAOYSA-N 323.339 4.792 30 20 DJED C[C@H](CCC#N)N1CCC[C@H](Cc2csc3ccccc23)C1 1459899883 VUYWHRXYQHPFTE-HZPDHXFCSA-N 312.482 4.848 30 20 DJED N#Cc1ccc(C2CCN(C/C=C/c3ccc(F)cc3)CC2)cc1 1462630858 SBDVHHNWTKFYGR-OWOJBTEDSA-N 320.411 4.590 30 20 DJED COc1cccc([C@@H](C)SCc2cc(C#N)ccc2OC)c1 1473004344 RHHPQXVZLWQVTF-CYBMUJFWSA-N 313.422 4.570 30 20 DJED C=C(Cl)CNCc1cnn(C2CCCC2)c1-c1ccccc1 1474019837 HBLIMQZNHUOGGL-UHFFFAOYSA-N 315.848 4.507 30 20 DJED CC(C)C(C)(C)C(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C 1523479712 YOSVDSCMACYXRL-RYUDHWBXSA-N 318.486 4.926 30 20 DJED C[C@@H](OC(=O)[C@@H]1CCC[C@@H]1c1ccccc1)c1cccc(C#N)c1 1534857459 QMWFVTJRMHCJKY-CDHQVMDDSA-N 319.404 4.746 30 20 DJED N#Cc1nc(Oc2cncc(-c3ccccc3)c2)sc1Cl 1612450596 GXJPGUHIOACRSV-UHFFFAOYSA-N 313.769 4.522 30 20 DJED CCCOc1ccc(Nc2nc(C)c(C#N)cc2Cl)cc1C 1612685087 KAFZFRKTCIFUBM-UHFFFAOYSA-N 315.804 4.756 30 20 DJED N#Cc1cccc(C#N)c1Sc1ccc2c3c(cccc13)CC2 1612795652 KZFIACGZMXMVLM-UHFFFAOYSA-N 312.397 4.833 30 20 DJED COc1ccc(C#N)cc1CN1CCC[C@@H]1c1cc(C)ccc1C 1642264501 ZTXWZPDWSCFYLG-HXUWFJFHSA-N 320.436 4.521 30 20 DJED C[C@H](NCCC1(C#N)CCCCC1)c1c(F)cccc1Cl 1642439704 FCEAJCIMLSXESY-ZDUSSCGKSA-N 308.828 4.994 30 20 DJED CCC(CC)[C@@H](NCCc1ccc(C#N)cc1)c1ccccc1 1642457631 RNDJFNKTZMBDFL-OAQYLSRUSA-N 306.453 4.868 30 20 DJED Cc1ccc([C@H]2CCCCCN2Cc2cccc(F)c2C#N)o1 1651825800 KQAZURSKBGLDJD-GOSISDBHSA-N 312.388 4.716 30 20 DJED CC[C@H](CN(CC)Cc1ccc(C#N)cc1OC)c1ccccc1 1653348793 ILLZCAVVGSDAGI-GOSISDBHSA-N 322.452 4.583 30 20 DJED Cc1cc(SCc2coc(-c3cccc(F)c3)n2)ccc1C#N 1656667541 XCZFALOVDHHXEZ-UHFFFAOYSA-N 324.380 4.953 30 20 DJED CC(=NNc1ccccc1C(=O)O)C1(c2ccccc2)CCCC1 1776030510 IGGAHCXQPMARJB-UHFFFAOYSA-N 322.408 4.685 30 20 DJED CN(CCC(F)(F)F)Cc1ccc(-c2ccccc2C#N)cc1 64634986 WOHHDJZPQAWPEL-UHFFFAOYSA-N 318.342 4.609 30 20 DJED CCCCCC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 65680123 MSJHQKDTPZMFCL-UHFFFAOYSA-N 308.381 4.869 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2cccc(-c3cccnc3)c2)s1 134501964 PFUYDZINBXHNJY-SOFGYWHQSA-N 316.385 4.578 30 20 DJED C=CCN(C)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 156187514 FQRXHYLDVDTEDC-UHFFFAOYSA-N 323.421 4.613 30 20 DJED C[C@H](C#N)Oc1ccccc1NC(=O)CCCC1CCCCC1 182150364 JMZMRNXLYCNCHE-OAHLLOKOSA-N 314.429 4.667 30 20 DJED O=C(/C=C\c1ccc(Br)cc1)c1ccc(F)cc1F 212509883 KXHLJUOVIHTWCB-BAQGIRSFSA-N 323.136 4.623 30 20 DJED O=C(/C=C\c1cccc(Br)c1)c1ccc(F)cc1F 212509945 BWLVXOKRCJWFIL-DAXSKMNVSA-N 323.136 4.623 30 20 DJED N#C[C@H](C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1nc2ccccc2o1 245949992 VIEVSSZJGKJCBQ-QKPAOTATSA-N 322.408 4.611 30 20 DJED Cc1ccsc1C(=O)/C=C\c1cccc(OCCCC#N)c1 255493243 YWZKKFIMIMPBCQ-FPLPWBNLSA-N 311.406 4.635 30 20 DJED C[C@H](C#N)CSc1ccccc1NCCCC1CCOCC1 279135961 XEWFGXMBNXGALV-OAHLLOKOSA-N 318.486 4.557 30 20 DJED CC(C)(C(O)=Nc1cccc([C@@H]2CN=C(O)C2)c1)C1CCCC1 328865174 NGCJWMCVTDAUBN-AWEZNQCLSA-N 314.429 4.935 30 20 DJED COc1cc(CN(C)CCCCC(C)(C)C#N)ccc1SC 409447316 AEXWQRXVPWUIMW-UHFFFAOYSA-N 320.502 4.569 30 20 DJED CC(C)(C#N)CCCCN1CCn2cccc2[C@@H]1c1ccccc1 444637158 FVLIYRHQIFRVFY-FQEVSTJZSA-N 321.468 4.613 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2ccc3[nH]ccc3c2)CCCC1(C)C 445242032 RZYOXAHXVVLIJO-KRWDZBQOSA-N 311.429 4.767 30 20 DJED C=CCC[C@H](NC(=O)N(CC1CC1)C1CCC1)c1ccccc1 474543714 VMRZPJHLRRHVMM-IBGZPJMESA-N 312.457 4.668 30 20 DJED CC[C@H](CC#N)NC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 474996639 GVEIIYZXWRLJMK-OAHLLOKOSA-N 323.396 4.601 30 20 DJED C=CCCCC(=O)N(Cc1cccc(C(F)(F)F)c1)C(C)C 481314820 CKAJGBJSODRKMP-UHFFFAOYSA-N 313.363 4.799 30 20 DJED C=CCC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 487764632 YSGHJPOLNDNCCV-INIZCTEOSA-N 324.380 4.592 30 20 DJED CC[C@@H](Nc1ccc(C#N)cc1F)c1ccccc1OC(F)F 498869929 ZYZKSQZIJKUINV-CQSZACIVSA-N 320.314 4.862 30 20 DJED C=C(C)CCSc1nnc(-c2ccc(N(CC)CC)cc2)o1 505488703 WLEWMLHBIUCSDK-UHFFFAOYSA-N 317.458 4.641 30 20 DJED C=CCC(CC=C)C(=O)N1CCc2ccc(C(C)(C)C)cc2C1 510850907 JTUDNYVNOXBECF-UHFFFAOYSA-N 311.469 4.637 30 20 DJED Cc1c(CS[C@H](C)c2ccc(C#N)cc2)cccc1[N+](=O)[O-] 522842245 MJLCZKHLIUKILR-CYBMUJFWSA-N 312.394 4.769 30 20 DJED CCc1c(C)sc(NC(=O)c2cc3cc(C)ccc3o2)c1C#N 524330002 NXWVNLUZMGMEAP-UHFFFAOYSA-N 324.405 4.798 30 20 DJED Cc1cc(C)c(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)c(C)c1 534154044 BYWISMXUJKAHDT-UHFFFAOYSA-N 322.408 4.523 30 20 DJED C=CCCC[C@H](C)NC(=O)c1ccc(CCC(F)(F)F)cc1 540534270 KUVGNERFUCAPCG-ZDUSSCGKSA-N 313.363 4.656 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(C1CCC1)C1CCC1 564057557 AEXOBPLKTPMEPM-UHFFFAOYSA-N 324.468 4.512 30 20 DJED Cc1nc(C(C)C)ccc1CN(Cc1ccc(C#N)cc1)C1CC1 571691426 VBHSIHFNHFPRPW-UHFFFAOYSA-N 319.452 4.550 30 20 DJED C=C(C)C[C@H](C)c1nc(Cc2c[nH]c3cc(Cl)ccc23)no1 581395412 GELRJZPQRYNNMI-NSHDSACASA-N 315.804 4.865 30 20 DJED N#Cc1ccc(F)c(CSc2nc3cc(Cl)ccc3o2)c1 588791680 XYOPTBOHCYBUAV-UHFFFAOYSA-N 318.760 4.784 30 20 DJED C=C(C)COc1cccc(NC(=O)c2cc3cccc(C)c3o2)c1 589382866 OPYJLMIDCGCVAF-UHFFFAOYSA-N 321.376 4.948 30 20 DJED CCN(C(=O)CCCCCC#N)c1cccc(C(F)(F)F)c1 591313527 TUAALLNPTHPMQK-UHFFFAOYSA-N 312.335 4.532 30 20 DJED C=CC[C@H](C)NC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl 604900752 GHDAKGIRONITRH-WDEREUQCSA-N 315.244 4.660 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1cc2occc2s1 605464693 BDPVINXHEPKYEJ-UHFFFAOYSA-N 303.427 4.703 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc(OC)c(Cl)c1 606935017 VHYFFUKMRNMUDU-UHFFFAOYSA-N 310.825 4.559 30 20 DJED C[C@@H](CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)CC(C)(C)C 611247135 HUVGAVXSRLDHBM-INIZCTEOSA-N 324.468 4.636 30 20 DJED C=CCCc1ccccc1NC(=O)[C@H]1CCc2cc(F)ccc21 614479913 RMRBUZULRTVQKI-SFHVURJKSA-N 309.384 4.613 30 20 DJED Cc1ccc2cc([C@H](C)N[C@@H]3CCc4cc(C#N)ccc43)oc2c1 618805348 GQOAWJWGSRNARB-IFXJQAMLSA-N 316.404 4.951 30 20 DJED N#CCOc1ccc(COc2ccc(Cl)c3ccccc23)cc1 731155881 ANDOXIBRSCXKEY-UHFFFAOYSA-N 323.779 4.975 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)C=C1CCCC1 731333011 VPDJBGWAWDOKMR-CYBMUJFWSA-N 300.427 4.520 30 20 DJED CCC(Cc1ccc(Cl)cc1Cl)=NNc1cc(C)ncn1 731934997 MVOHVNNZGDLOCH-UHFFFAOYSA-N 323.227 4.512 30 20 DJED CCOc1ccc(Cl)cc1C(=O)/C=C/c1cccc(C#N)c1 735978277 AYONWIKLEAAWDY-SOFGYWHQSA-N 311.768 4.506 30 20 DJED CC(C)c1cccc(NC(=S)N[C@H](C)c2cccc(C#N)c2)c1 743059668 NEBWLEZJFUJLGI-CQSZACIVSA-N 323.465 4.729 30 20 DJED Cc1cc(/C=C/C(=O)c2ccsc2)ccc1Br 746391818 BGLGWVSBXDWKOU-HWKANZROSA-N 307.212 4.715 30 20 DJED Cc1cc(OC(C)C)ccc1NCc1ccc(O[C@H](C)C#N)cc1 747099092 ODDIBLAEICCUOD-MRXNPFEDSA-N 324.424 4.685 30 20 DJED O=C1/C(=C\c2nc(-c3ccccc3)cs2)Cc2ccc(F)cc21 749005965 PBLDXFWCJIVWEW-ZROIWOOFSA-N 321.376 4.772 30 20 DJED CCOc1ccc(NCCCC(C)(C)C#N)c(C(F)(F)F)c1 762792889 FSDCOBZUTXNULA-UHFFFAOYSA-N 314.351 4.846 30 20 DJED C/C=C(/C=C\C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)CC 765474706 GBYDLWWOQSKEDW-SQRCLHEMSA-N 323.223 4.587 30 20 DJED C=CCCOCCCCC(=O)Oc1ccc(Cl)c(Cl)c1 775644892 WSVRNYDDQMIBBD-UHFFFAOYSA-N 317.212 4.662 30 20 DJED C/C=C(\CC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 789633617 POIYPWNJXFMLPC-CRKCGEKBSA-N 306.365 4.645 30 20 DJED CCN(C(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(C)cc1C 793132677 OPVLLDLJADYFFX-LJQANCHMSA-N 320.436 4.744 30 20 DJED O=C1/C(=C/c2ccc(C(F)F)cc2)CSc2ccccc21 794934877 WPESQJFCTYCNMW-UKTHLTGXSA-N 302.345 4.996 30 20 DJED C[C@H](CCOC(=O)CCCCCC#N)c1c[nH]c2ccccc12 805930898 BCFMHSXXIULGQX-OAHLLOKOSA-N 312.413 4.679 30 20 DJED O=C1/C(=C\c2cc3ccccc3s2)Cc2nc(Cl)ccc21 806579417 GLKCHRNFWAXYND-FLIBITNWSA-N 311.793 4.772 30 20 DJED N#Cc1c(F)cccc1/C=C/C(=O)c1ccc(-c2ccccc2)o1 811690495 BMLLFGOBRKFWCH-MDZDMXLPSA-N 317.319 4.853 30 20 DJED C=CC[C@@H]1N(C(=O)C[C@@]2(C)CC2(Cl)Cl)CCCC1(C)C 830568439 INVORKGWNJCQOR-WFASDCNBSA-N 318.288 4.554 30 20 DJED C=CC(C)(C)CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 878027360 FUVMYRHTLABNBK-CQSZACIVSA-N 314.454 4.562 30 20 DJED Cc1c(C(=O)/C=C/c2ccc3c(c2)CCO3)oc2ccccc12 917519446 OEKMDIDNXWBHAL-SOFGYWHQSA-N 304.345 4.572 30 20 DJED Cc1ccc(C=NOCc2csc(Cc3ccccc3)n2)cc1 918732882 BFGFUWHCECTLHD-UHFFFAOYSA-N 322.433 4.593 30 20 DJED CC[C@@H]1CN(CCc2ccc(C#N)cc2)CC[C@H]1c1ccccc1 1167601579 DUMWLADVYSETOF-IFMALSPDSA-N 318.464 4.616 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1Sc1ccc(O)cc1 1184938053 SXNUPWWUKHUPEM-UHFFFAOYSA-N 312.781 4.617 30 20 DJED CC[C@H](CCc1ccccc1)Nc1nc(C)c(C#N)cc1Cl 1187044732 NDASYASVMMXUKS-MRXNPFEDSA-N 313.832 4.738 30 20 DJED Cc1ccc(-c2csc(COc3ccc(C#N)c(F)c3)n2)cc1 1188787926 HGYSEJGUZJKIAH-UHFFFAOYSA-N 324.380 4.708 30 20 DJED C=CCC[C@H]1CCCN1C(=O)Nc1c(F)cc(Cl)cc1F 1263641203 JEEMVLSQDWPCHJ-NSHDSACASA-N 314.763 4.581 30 20 DJED CCC[C@@H]1CCc2ccccc2N1C(=O)c1ccc(C)c(C#N)c1 1266092826 JUSJVNXPPDUMFI-LJQANCHMSA-N 318.420 4.628 30 20 DJED COc1ccc(C#N)cc1N[C@@H](C)CC(C)(C)c1ccccc1 1308676840 KLOHGVJXALCMCR-HNNXBMFYSA-N 308.425 4.735 30 20 DJED N#Cc1ccc(CN2C[C@H]3CCCC[C@@]32c2ccccc2)s1 1323332222 WFJFCUZUCWCZRQ-VQIMIIECSA-N 308.450 4.521 30 20 DJED CCC(CC)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1356137578 UCKCJMMKYYJMSM-UHFFFAOYSA-N 323.440 4.731 30 20 DJED CC[C@@H](NC(=O)CC1(C#N)CCCCC1)c1ccc(C)c(F)c1 1357805469 VSKXHMITKBUUEI-QGZVFWFLSA-N 316.420 4.566 30 20 DJED Cc1ccc(C#N)cc1C(=O)N1CCC[C@@H]1CCC1CCCCC1 1457919104 WCRVVUUUEULZJK-LJQANCHMSA-N 324.468 4.832 30 20 DJED CC[C@@H](NCc1ccc(F)cc1C#N)C(C)(C)c1ccccc1 1459876169 UENHEYFUNRTBCP-LJQANCHMSA-N 310.416 4.543 30 20 DJED CO[C@@H]1CCC[C@H](Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1462129554 TXDSXSRXVGFWEN-QFBILLFUSA-N 322.408 4.720 30 20 DJED Cc1cc(NCC2CC(C)(C)C2)n2c(nc3ccccc32)c1C#N 1472760310 VVYKOOSEQWKDKN-UHFFFAOYSA-N 318.424 4.516 30 20 DJED C[C@H](OC(=O)[C@H](C)c1cc2ccccc2o1)c1ccc(C#N)cc1 1533618980 IZEPCWFUQKLMJZ-KGLIPLIRSA-N 319.360 4.712 30 20 DJED CC(C)(C)c1cc(Oc2ccccc2C#N)nc(C(C)(C)C)n1 1611733763 GTQREWUCTCTXHR-UHFFFAOYSA-N 309.413 4.736 30 20 DJED COc1ccc(C#N)cc1CN1CCCC[C@@H]1c1ccc(C)cc1 1641861349 SWHUCTQXTMKTAM-HXUWFJFHSA-N 320.436 4.603 30 20 DJED CC[C@H](C#N)Sc1nc2ccccc2n1CCc1ccccc1 1643461530 ZXEWEPHEEMYDEK-MRXNPFEDSA-N 321.449 4.673 30 20 DJED N#Cc1nc(Sc2nc3cc(F)ccc3s2)ccc1Cl 1651412091 XCPPHOSUFZNBRD-UHFFFAOYSA-N 321.789 4.507 30 20 DJED Cc1cc(N2CC3(CCCCC3)[C@H]2c2ccccc2)ncc1C#N 1651926022 WENNIUOJVLKQIT-HXUWFJFHSA-N 317.436 4.774 30 20 DJED CCCc1c(N[C@H](C)CCC(C)C)cnn1-c1cccc(C#N)c1 1652238732 PEOFSIJMMJHXFV-MRXNPFEDSA-N 324.472 4.933 30 20 DJED CCCN(CCCC(C)(C)C#N)[C@H]1C[C@H](OCC)C12CCCC2 1653409180 OGIKMOOJYNKMCY-ROUUACIJSA-N 320.521 4.766 30 20 DJED N#Cc1ccc(OCc2csc(C3CCCCC3)n2)c(F)c1 1656375600 WNZKJOVEDNQTGC-UHFFFAOYSA-N 316.401 4.781 30 20 DJED CCCCc1ccc(C(=O)/C=C\c2ccc(C)c(C(=O)O)c2)cc1 1776805940 GWMGBUJNLDPDEA-RAXLEYEMSA-N 322.404 4.932 30 20 DJED C#Cc1cccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 29474103 XZNOIKJZVBLSLD-UHFFFAOYSA-N 311.384 4.516 30 20 DJED N#Cc1cccc(CNCc2ccccc2Oc2ccccc2)c1 63319281 MJBRBECBYFRUTO-UHFFFAOYSA-N 314.388 4.640 30 20 DJED CC(C)CC1(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)CCC1 151098759 PGTQVZRBJDJRNZ-ZDUSSCGKSA-N 304.459 4.659 30 20 DJED COc1ccc([C@@H](C)NCc2cccc(C#N)c2)c2ccccc12 151375246 SNFPSINQVQBCJF-OAHLLOKOSA-N 316.404 4.571 30 20 DJED N#Cc1csc(C(=O)Nc2cccc(Nc3ccccc3)c2)c1 175888752 QSHBOUWOHPQGSR-UHFFFAOYSA-N 319.389 4.616 30 20 DJED N#CCCCCN[C@@H](c1ccc(F)cc1)c1ccccc1Cl 180429018 QVXVPCJJSFHTQO-SFHVURJKSA-N 316.807 4.852 30 20 DJED C[C@@H](N[C@H](c1ccccc1)C1CCC1)c1ccc(OCC#N)cc1 181685307 BCOKTFZEWKCIFF-IIBYNOLFSA-N 320.436 4.781 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)C1=CCCCCC1 186296952 LQGZKBQTVRDZTB-AWEZNQCLSA-N 314.454 4.767 30 20 DJED Cc1nnc(SCc2ccc(Cl)cc2Cl)c(C#N)c1C 218938187 PUFCTASXYYEUSA-UHFFFAOYSA-N 324.236 4.564 30 20 DJED C=CCOc1ccccc1CN[C@@H](C)c1cc2ccccc2o1 319745954 INKMIWMPXUQVLS-HNNXBMFYSA-N 307.393 4.848 30 20 DJED N#CCCSc1ccccc1NC(=O)c1ccc(Cl)cc1 341812218 ZLOWXLVYHPGXND-UHFFFAOYSA-N 316.813 4.598 30 20 DJED N#CCC[C@H](Nc1cncc(-c2ccccc2)n1)c1ccccc1 346276051 YSMKADQLUBEWSA-SFHVURJKSA-N 314.392 4.601 30 20 DJED Cc1oc2ccc(NC(=O)NCC(C)(C)CCC#N)cc2c1C 351206441 UBHNEVDLQLCWMC-UHFFFAOYSA-N 313.401 4.501 30 20 DJED N#CC1(CC[S@@](=O)CCCCc2ccccc2)CCCCC1 414248021 OZILZSACEFKUJJ-QFIPXVFZSA-N 317.498 4.622 30 20 DJED C[C@@H](NC1CCC(C)(C#N)CC1)c1ccccc1C(F)(F)F 449098711 QTQNQWPIWYYFMO-VEAWUBTESA-N 310.363 4.828 30 20 DJED Cc1ccc([C@@H]2OCCC[C@@H]2CNc2ccc(F)cc2C#N)cc1 463059554 PVXCPNKNZVQKAH-UZLBHIALSA-N 324.399 4.586 30 20 DJED N#C[C@@H]1CCC[C@@H](NC[C@@H](Cc2ccccc2)c2ccccc2)C1 463237456 VTAWRVOSAHYFTL-CEMLEFRQSA-N 318.464 4.685 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@@H]1Cc1ccccc1Cl 467811027 YPKATSGJQLRMCT-QGZVFWFLSA-N 317.860 4.642 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(C)ccc1OC 471121434 IAYFQDUANFISLI-UHFFFAOYSA-N 324.424 4.614 30 20 DJED CCCC[C@@H](CCC)NC(=O)C[C@H](CC#N)c1ccccc1 476243838 FFHVSHFVFUWKCO-ZWKOTPCHSA-N 300.446 4.549 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)/C=C/C1CCCC1 493104353 JGLSQSZMTRKJMQ-VNDWYCCKSA-N 314.454 4.766 30 20 DJED C=C(C)CN(C)C(=O)N[C@@H](c1oc2ccccc2c1C)C(C)C 497640080 UXCBTUQUJXPUCU-QGZVFWFLSA-N 314.429 4.656 30 20 DJED CC[C@@H](Nc1ccc(Cl)c(C#N)n1)c1ccc(Cl)cc1 498811716 QWUPAFNVGLMYFF-CYBMUJFWSA-N 306.196 4.823 30 20 DJED CC(C)(CCC#N)CN(CCc1ccc(F)cc1)C1CCCC1 508693967 KLUJBXZRNYDQGZ-UHFFFAOYSA-N 316.464 4.943 30 20 DJED C=CCCCCCN(C)C(=O)c1cnn(C2CCCCC2)c1C 511555124 WCIZCHDIHPZADI-UHFFFAOYSA-N 317.477 4.515 30 20 DJED C[C@H](Sc1ccc([N+](=O)[O-])cc1C#N)c1ccc(Cl)cc1 519873680 WIGFLHSFRLDVKQ-JTQLQIEISA-N 318.785 4.973 30 20 DJED CCCC(CCC)S[C@@H](C)C(=O)Nc1ccccc1C#N 521799553 SVTBBRYDTXWVFK-ZDUSSCGKSA-N 304.459 4.587 30 20 DJED C=CC1CCN(C(=O)Nc2cc(Cl)c(C)c(Cl)c2)CC1 522086214 RSNCBLFABBGEPS-UHFFFAOYSA-N 313.228 4.732 30 20 DJED C=CC[C@@H](C)NC(=O)c1ccc(SCc2ccccc2)cc1 523954789 DGYITFLLBKRLLR-OAHLLOKOSA-N 311.450 4.673 30 20 DJED CC(C)c1ccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)s1 546187826 MXMHYKGKXLCDFF-UHFFFAOYSA-N 315.442 4.552 30 20 DJED Cc1ccc([C@@H](N[C@H]2CCc3ccc(C#N)cc32)C2CC2)cc1 574561442 HAWNHSCDAYOGQC-LEWJYISDSA-N 302.421 4.595 30 20 DJED CC(C)(C1=CCCCC1)c1noc(-c2ccc(CC#N)cc2)n1 578289426 DHJFVDJNUONOIS-UHFFFAOYSA-N 307.397 4.581 30 20 DJED N#CCCCCCc1nc(-c2ccc(Cl)cc2Cl)no1 589147457 MNFAIAMWITZETC-UHFFFAOYSA-N 310.184 4.670 30 20 DJED C=C(C)COc1cccc(NC(=O)N[C@H](C)c2ccc(C)cc2)c1 589739182 JZWTVUFENSQISV-MRXNPFEDSA-N 324.424 4.833 30 20 DJED Cc1cccc2c1CC[C@H]2N[C@@H]1CCCc2cc(C#N)ccc21 611394103 GVGLQEIJHSYLJE-NHCUHLMSSA-N 302.421 4.521 30 20 DJED N#Cc1ccc(CNc2nccc3ccc(F)cc23)cc1Cl 619747041 XZGFXABBVZIYBT-UHFFFAOYSA-N 311.747 4.511 30 20 DJED C=C(C)COc1cccc(N=Cc2cc3ccccc3nc2O)c1 727264945 BEAMJCRTUOOLOY-UHFFFAOYSA-N 318.376 4.646 30 20 DJED Cn1c(-c2ccccc2)cnc1S[C@@H](C#N)C1CCCCC1 734367698 LRNFXLYWEARODL-KRWDZBQOSA-N 311.454 4.652 30 20 DJED Fc1ccc(CON=Cc2cccc(Cl)c2Cl)cc1F 735488533 SVQFQPVFESHSLB-UHFFFAOYSA-N 316.134 4.822 30 20 DJED CC(C)CN(CCC#N)Cc1csc(C2CCCCC2)n1 739915239 XJSADMWCPRIFPV-UHFFFAOYSA-N 305.491 4.562 30 20 DJED O=C(/C=C\c1cccc(Cl)c1Cl)c1ccc2c(c1)COC2 742434883 NFSOTGBTUPTAFK-SREVYHEPSA-N 319.187 4.920 30 20 DJED COCCCOc1cccc(/C=C\C(=O)c2ccc(C)cc2C)c1 746342690 YXFRVIWOHFGQIT-LUAWRHEFSA-N 324.420 4.615 30 20 DJED N#Cc1csc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 748439395 PPWDFZTYBWZJPU-DUXPYHPUSA-N 308.189 4.823 30 20 DJED COc1ccc(NN=C(C)c2oc3ccc(OC)cc3c2C)cc1 750946546 SVJAVXHWUZYUDT-UHFFFAOYSA-N 324.380 4.595 30 20 DJED COc1cc(/C=C2\CCCC(C)(C)C2=O)cc(Cl)c1OC 757534545 MAVJSOPCTGGVAI-XYOKQWHBSA-N 308.805 4.520 30 20 DJED CCSc1ccc(C(=O)/C=C\c2ccc3c(c2)ncn3C)cc1 761204492 COLGYGHYQVLXGV-WZUFQYTHSA-N 322.433 4.581 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccc(-c3ccccc3)o2)s1 762446178 FNRJMEGHQIYXAE-TWGQIWQCSA-N 305.358 4.776 30 20 DJED Cc1ccc2c(Cl)c(C(=O)OCC3(C#N)CCC3)sc2c1 768085980 PXNBJSVDZLAMCD-UHFFFAOYSA-N 319.813 4.714 30 20 DJED C=C(CC)CNc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 773207079 KECBDRDSWVWTRV-CQSZACIVSA-N 304.434 4.650 30 20 DJED Cc1ccc(-c2cccc(C=NN[C@H]3CCOC(C)(C)C3)c2)cc1 780249018 CDZVXTLEKSHACW-FQEVSTJZSA-N 322.452 4.543 30 20 DJED Cc1nn(C(C)C)cc1/C=C\C(=O)c1ccc2ccccc2c1O 798370380 LIJGNTKNHVNHPR-LUAWRHEFSA-N 320.392 4.527 30 20 DJED C=CC[C@H](CC)NC(=O)N[C@@H](C)c1csc2ccccc12 798406614 VZSXNFZRPFKAGQ-STQMWFEESA-N 302.443 4.616 30 20 DJED CCCCCCCCC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O 799055838 SIGLSKGNNWGGJS-HCXYKTFWSA-N 323.521 4.525 30 20 DJED N#C[C@@H]1CC[C@@H](Nc2ccc(OCc3ccccc3F)cc2)C1 799734879 QMWCVLKHZIKSAR-RHSMWYFYSA-N 310.372 4.509 30 20 DJED N#Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(-c3ccccc3)o1)C2 811695533 ISPGFLRAINKIDY-SFQUDFHCSA-N 311.340 4.641 30 20 DJED N#Cc1ccc2c(c1)C(=O)/C(=C/c1c(Cl)oc3ccccc13)C2 811696363 SQNVTHBNGRKAPQ-UKTHLTGXSA-N 319.747 4.780 30 20 DJED Cc1ccc(N(CC(C)C)C(=O)c2ccc(C#N)s2)c(C)c1 844665752 PTIZYCLXZHTPHZ-UHFFFAOYSA-N 312.438 4.539 30 20 DJED FC(F)C1CC(=NNc2ccc(Cl)cc2Br)C1 853438536 GCGUGCRCAUBCKO-UHFFFAOYSA-N 323.568 4.546 30 20 DJED C#CC[C@H](N[C@H](C)c1ccc(C(F)(F)F)cn1)c1ccccc1 902888006 OWIKYXFGFLCULU-DYVFJYSZSA-N 318.342 4.516 30 20 DJED O=C(/C=C\c1ccc(F)c(F)c1)c1ccc(Br)cc1 916134330 NEBBYTBTDLADDL-WAPJZHGLSA-N 323.136 4.623 30 20 DJED c1ccc(-c2csc(NN=C3CCc4ccccc43)n2)cc1 916545676 TZPSYBDFVZAYAE-UHFFFAOYSA-N 305.406 4.573 30 20 DJED C=CCN(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(C)C 916706198 LWFKCQUKTCLKHC-UHFFFAOYSA-N 320.742 4.787 30 20 DJED C[C@H](Nc1ccc(OCC#N)cc1)[C@H](C)c1ccc(Cl)cc1 1116878422 XINSMIYSARJIDC-KBPBESRZSA-N 314.816 4.846 30 20 DJED CC[C@@H](CSc1ccccc1)Nc1snc(Cl)c1C#N 1185874804 OWNLQAWTLQXEOH-JTQLQIEISA-N 323.874 4.651 30 20 DJED C[C@H]1CCCC[C@@H]1Sc1nc(C(F)(F)F)ccc1C#N 1189166420 NQJXOONSQZOMNY-ONGXEEELSA-N 300.349 4.643 30 20 DJED CCC[C@H]1CCCC[C@H]1CNC(=O)Nc1cc(C#N)ccc1C 1201424631 YCEKTOZTSHUIKL-IRXDYDNUSA-N 313.445 4.595 30 20 DJED C=C(CNC(=O)c1ccccc1-c1ccccc1)c1ccccc1 1274941371 IIFUFFNJWSJQSP-UHFFFAOYSA-N 313.400 4.797 30 20 DJED CCN(Cc1ccc(Cl)cc1C#N)Cc1c(F)cccc1F 1307446891 XDYPYHOUWOSYDJ-UHFFFAOYSA-N 320.770 4.512 30 20 DJED CCn1cc(C(=O)/C=C\c2ccc(-c3ccccc3)s2)cn1 1317998780 NUTSFTOQESRVMO-NTMALXAHSA-N 308.406 4.528 30 20 DJED N#Cc1cccc(Cl)c1NCCc1coc(-c2ccccc2)n1 1319107912 DETBNKHWFQMRSF-UHFFFAOYSA-N 323.783 4.521 30 20 DJED N#Cc1ccc(-c2nnc(-c3cccc(Cl)c3Cl)o2)cc1 1345866551 HZWCYGMDKGJPEI-UHFFFAOYSA-N 316.147 4.582 30 20 DJED C[C@@H](CCC(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccccc1 1354917167 CBHFFPBJLSJJCX-JKSUJKDBSA-N 307.393 4.746 30 20 DJED CCCN(CCC(C#N)(c1ccccc1)c1ccccc1)C1CC1 1459821374 USTAAOPHEQRHAN-UHFFFAOYSA-N 318.464 4.761 30 20 DJED CC1(C)C[C@]1(C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 1525219034 LPDLEVYHYDJDQD-LJQANCHMSA-N 324.811 4.518 30 20 DJED Cc1csc(NC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)c1C#N 1525497513 DUYUDLIZVCHOAD-AAEUAGOBSA-N 304.459 4.719 30 20 DJED CC[C@@H](CC(=O)Nc1ccc(Cl)cc1C#N)c1ccccc1 1528631976 MMGJMBDCPRDTET-ZDUSSCGKSA-N 312.800 4.734 30 20 DJED CCCOc1ccccc1[C@@H](CC(C)C)Nc1ccc(C#N)cn1 1559129028 OUEWTHONCGPHOJ-GOSISDBHSA-N 323.440 4.941 30 20 DJED N#Cc1ccc2c(c1)CCCN2CCCc1ccc(Cl)cc1 1559870040 MDQLZKQCMSRMAB-UHFFFAOYSA-N 310.828 4.597 30 20 DJED CCC[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@H](C)CC2 1595892014 NJAHJMSCSYUJKR-YVECIDJPSA-N 316.470 4.680 30 20 DJED C[C@H]1c2ccc(F)cc2C[C@@H](C)N1CCC1(C#N)CCCCC1 1616403550 SLTJTMCTOGAKHL-CVEARBPZSA-N 314.448 4.997 30 20 DJED Cc1cc(CN2C[C@@H](c3ccccc3C)C[C@H]2C)ccc1C#N 1621165736 JYXYTDHXXGRWFU-XLIONFOSSA-N 304.437 4.553 30 20 DJED Cc1c(C#N)cccc1NC(=O)Nc1ccc(C2CCC2)cc1 1623221622 XEABRLAEDRYPED-UHFFFAOYSA-N 305.381 4.778 30 20 DJED CCCOc1cccc(CN(C)[C@@H](C)c2cccc(C#N)c2)c1 1643523150 OSJMTLRVAFTFED-INIZCTEOSA-N 308.425 4.540 30 20 DJED Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2ccc(CC#N)cc2)o1 1657430808 CSORXPASWWDMKY-HNAYVOBHSA-N 308.425 4.627 30 20 DJED C[C@@H](CN[C@H]1CCc2cc(C#N)ccc21)c1cccc(Cl)c1 1657986947 ISNVRHPGNQQZHA-DJJJIMSYSA-N 310.828 4.592 30 20 DJED C[C@H](CCC#N)CN1Cc2ccccc2[C@@H](c2ccccc2)C1 1658301795 VRKVOOILFUNKNO-DYESRHJHSA-N 304.437 4.574 30 20 DJED C[C@H]1CCCC[C@@H]1CCNC(=O)Nc1ccc(C#N)c(Cl)c1 1665386107 RSVVEEOMMTXNTF-QWHCGFSZSA-N 319.836 4.550 30 20 DJED CC(=NNc1cccc(C)c1Cl)[C@@H]1C[C@H](CC(=O)O)C1(C)C 1776106869 ZXDIPKGGLNGRKJ-OLZOCXBDSA-N 322.836 4.573 30 20 DJED O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCCCCC1 43996650 QBGWJYUCLVKJLK-UHFFFAOYSA-N 324.449 4.556 30 20 DJED CC(C)(C#N)CCCNc1ccc(Cl)cc1Br 127779066 OARHZVPCIFDCOA-UHFFFAOYSA-N 315.642 4.844 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 132027044 CCUKDRWXQFFQTC-AWEZNQCLSA-N 314.454 4.788 30 20 DJED CCCCCCC[S@@](=O)[C@H](C)c1nc(-c2ccccc2)no1 133487987 XSSLXXJXBBKXQF-PEBXRYMYSA-N 320.458 4.517 30 20 DJED Cc1cccc2c1[C@H](C)/C(=C/c1ccc(O[C@@H](C)C#N)cc1)C2=O 157597957 XAYXOCLMHPDQPP-LIMDEDFOSA-N 317.388 4.669 30 20 DJED CCN(C[C@@H](C)C#N)[C@H](C)c1ncc(-c2ccc(Cl)cc2)o1 245921680 WWQFOPVWIMQYOA-QWHCGFSZSA-N 317.820 4.538 30 20 DJED N#CCOc1ccc(CN[C@H](c2ccccc2)C2CCCC2)cc1 264648266 XOIJAZQNBSRWKP-OAQYLSRUSA-N 320.436 4.610 30 20 DJED CC(C)(C#N)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl 298250108 DLWHRUJREJDCMM-UHFFFAOYSA-N 305.592 4.525 30 20 DJED N#Cc1c(Cl)nsc1Nc1cccc(NC2CCCC2)c1 301952178 IDBSMCWWRASLAZ-UHFFFAOYSA-N 318.833 4.766 30 20 DJED CC(C)c1nc2cc(N[C@@H](C)c3cccc(C#N)c3)ccc2o1 319788113 MTVQQTVMUWXKQO-ZDUSSCGKSA-N 305.381 4.996 30 20 DJED Cc1cc([C@H](C)/N=C(/O)Nc2scnc2C2CC2)c(C)s1 328911710 GQYJSDXRVCQUIJ-VIFPVBQESA-N 321.471 4.786 30 20 DJED CC1(C)CC[C@@H]2C[C@@H](/N=C(/O)CCc3cnc[nH]3)c3cccc1c32 329380624 NPCDJWBDYFNTIW-CXAGYDPISA-N 323.440 4.599 30 20 DJED CCSc1cccc(C(=O)N(CCC#N)CC(CC)CC)c1 343347231 RYEFJBFJCZDZGQ-UHFFFAOYSA-N 318.486 4.591 30 20 DJED C=CCC(C)(C)CNC(=O)N1CCC[C@@H]1c1ccc(C)s1 432573315 FLUNSOMVBFMSEV-CQSZACIVSA-N 306.475 4.505 30 20 DJED C[C@@H](SCCc1ccc2c(c1)CCO2)c1ccc(C#N)cc1 437280078 YZIIMCJCWBDSMJ-CQSZACIVSA-N 309.434 4.530 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1cccc(Cl)c1SC(C)C 438256678 VRZDMWAXJORUGZ-LLVKDONJSA-N 312.866 4.927 30 20 DJED COc1ccc(C#N)cc1CN(C)[C@H](C)c1cc2ccccc2o1 448050999 XNZMSIVZAQPQLQ-CQSZACIVSA-N 320.392 4.506 30 20 DJED Cc1nc(C(C)C)oc1CSc1ccc(C#N)cc1Cl 450861471 DTOQRXITDXEMOV-UHFFFAOYSA-N 306.818 4.924 30 20 DJED CCN(C(=O)c1ccc(C2CCCC2)cc1)c1ccc(C#N)cc1 463957041 ASCNMQCWJPXLAA-UHFFFAOYSA-N 318.420 4.883 30 20 DJED Cc1cccc(Oc2ccccc2NC(=O)CC(C)(C)C#N)c1 469088483 WKQCLQYIDAHCJF-UHFFFAOYSA-N 308.381 4.666 30 20 DJED C=CCCCC(=O)N[C@@H](c1ccc(C)cc1)c1ccc(OC)cc1 481157703 WHDXIDZWWVKLEY-NRFANRHFSA-N 323.436 4.566 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@@H]1CCCc1ccccc1 489271177 QBNNDCYIEZUZAS-FQEVSTJZSA-N 311.469 4.769 30 20 DJED C=C(C)CCc1noc(/C=C(\C)c2ccccc2OC(F)F)n1 508686660 OUKJJEIWYIUYSQ-ZRDIBKRKSA-N 320.339 4.740 30 20 DJED N#Cc1ccc(CN(Cc2ccc3ccccc3c2)C2CC2)cc1 516744802 SQHIXSYOERXMJP-UHFFFAOYSA-N 312.416 4.876 30 20 DJED N#Cc1ccc(SCc2ccccc2Br)c(F)c1 525504001 VCGIEUFHQSFDCB-UHFFFAOYSA-N 322.202 4.752 30 20 DJED Cc1ccc([C@H]2CCCCCN2Cc2ccc(C#N)s2)o1 536660712 ODWGCKAMCXMGAR-MRXNPFEDSA-N 300.427 4.639 30 20 DJED C=C[C@H](Cc1nc(-c2cccc3[nH]ccc23)no1)c1ccccc1 544945073 XMMLBFDMWDFFEF-CQSZACIVSA-N 315.376 4.730 30 20 DJED C[C@H](CC1CCCCC1)C(=O)N[C@](C)(C#N)C1CCCCC1 568312758 DYCOPQDKIXRGNV-DNVCBOLYSA-N 304.478 4.572 30 20 DJED COc1cc(Cl)ccc1[C@H](C)N[C@@H](C)c1cccc(C#N)c1 591531536 CSQCMLIURYASDB-STQMWFEESA-N 314.816 4.632 30 20 DJED CC(C)c1ccc(-c2nnc(SCC3(CC#N)CC3)o2)cc1 594889863 CBUUZYFXJAFTKS-UHFFFAOYSA-N 313.426 4.646 30 20 DJED C[C@H](SCc1cc(C#N)ccc1F)c1ccc(F)cc1F 609238115 UVLVFGSPTVITNA-JTQLQIEISA-N 307.340 4.970 30 20 DJED Cc1c(COC(C)(C)C)cccc1N[C@@H](C#N)Cc1ccccc1 610474235 ZYDSHOPZFJCKMI-LJQANCHMSA-N 322.452 4.857 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2NC1CC(c2cccc(Cl)c2)C1 618808087 YZSJLRZRRYUCHJ-OUNSHVDWSA-N 322.839 4.735 30 20 DJED C=CCC[C@@H](N[C@H](c1nc[nH]n1)C1CCCCC1)c1ccccc1 638785542 XDDYOJUCCXMRDB-MOPGFXCFSA-N 324.472 4.723 30 20 DJED CCCC(=NNc1ccccn1)c1cccc(C(F)(F)F)c1 726417285 BWTHXCADOLFIOI-UHFFFAOYSA-N 307.319 4.717 30 20 DJED Cc1ccsc1C(=O)/C=C/c1cc(Cl)ccc1[N+](=O)[O-] 739423796 DAUJHXMIUUMZJC-GORDUTHDSA-N 307.758 4.514 30 20 DJED Cc1ccccc1C1CC(=NNc2cccc3cnccc23)C1 743439350 YHPVECVNGIKIOY-UHFFFAOYSA-N 301.393 4.889 30 20 DJED COc1ccc(O)c(C=Nc2ccc(-c3nc(C)cs3)cc2)c1 750950701 ZOJMRHGBAKVXQO-UHFFFAOYSA-N 324.405 4.583 30 20 DJED CCCCC[C@@H](C)NC(=O)c1c(Cl)cc(C#N)cc1Cl 754410409 QSEOLCCWJQTOJB-SNVBAGLBSA-N 313.228 4.564 30 20 DJED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc2ccccc2c1O 756629187 ZWDPJUNYRKDTPE-CABCVRRESA-N 316.404 4.829 30 20 DJED O=C(/C=C/c1nc2ccc(F)cc2s1)c1ccc(F)c(F)c1 761477348 LFZRQRUDLWYFOT-AATRIKPKSA-N 319.307 4.610 30 20 DJED N#Cc1c(F)ccc(/C=C2\CCc3sccc3C2=O)c1Cl 761477594 NYHOPTIEMZXWBC-JXMROGBWSA-N 317.772 4.625 30 20 DJED C=CC[C@@H](N[C@@H](C)c1cnc2ccsc2c1)c1ccncc1 766018944 JSNQLKBFZVLBES-XJKSGUPXSA-N 309.438 4.659 30 20 DJED N#Cc1ccc(CNc2cccc(SC(F)F)c2)c(F)c1 772934482 KLDJYBWXRXXRGS-UHFFFAOYSA-N 308.328 4.624 30 20 DJED C=CCC[C@@H](C(=O)OCc1nc(C)sc1C)c1ccccc1 777767995 CSXQACSBWYROFD-MRXNPFEDSA-N 315.438 4.553 30 20 DJED N#CC1(CSc2nc3cc(C(F)(F)F)ccc3s2)CC1 777913927 UASVVKFVZTUPOW-UHFFFAOYSA-N 314.357 4.711 30 20 DJED CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(Cl)c(C)c2)c1 779714394 YGXBZLZTKUFGNU-VQHVLOKHSA-N 313.784 4.503 30 20 DJED CC/C(C)=C(\C)C(=O)Nc1sc2c(c1C#N)CCCCC2 779719861 YCBMKGYPCFPVHS-VAWYXSNFSA-N 302.443 4.574 30 20 DJED C#CC[C@@H](NCc1ccc(C(F)(F)F)cc1C)c1ccccc1 785541668 VDFDZYDCSVXDQZ-GOSISDBHSA-N 317.354 4.868 30 20 DJED CC(C)(C#N)c1ccccc1COC(=O)c1sccc1Cl 803769539 SFJZAAIEVKMHRL-UHFFFAOYSA-N 319.813 4.560 30 20 DJED Cc1nn(C)c2sc(C(=O)/C=C/c3ccc(Cl)s3)cc12 806579162 XZPOMGFUSVRYDR-HWKANZROSA-N 322.842 4.554 30 20 DJED CC[C@@H](/N=C\c1cc2ccccc2nc1O)c1ccc(OC)cc1 912778895 AFRHRWJBPCPELJ-LZAZYHHXSA-N 320.392 4.519 30 20 DJED CCCCCCC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 914517656 JUWOVCIGPZQCBT-UHFFFAOYSA-N 300.446 4.513 30 20 DJED CC(C)c1ccc(C(=O)/C=C/c2csc([N+](=O)[O-])c2)cc1 917143034 VAINDEBKPJWUHV-FPYGCLRLSA-N 301.367 4.676 30 20 DJED CC(C)c1cccc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)c1 1131579209 XCOVANBBWTZAGS-UHFFFAOYSA-N 318.420 4.881 30 20 DJED C[C@@H](CCC(C)(C)C)C(=O)N(C)c1ccc(C#N)c(Cl)c1 1131995652 FVMCUGDRCLQBTI-LBPRGKRZSA-N 306.837 4.637 30 20 DJED N#Cc1nc(Oc2cc(C(F)(F)F)ccc2F)ccc1Cl 1163511700 GDPUDQHLZFCHNB-UHFFFAOYSA-N 316.641 4.557 30 20 DJED CC[C@@H](C)c1ccc([C@H](Nc2nc(C)cc(C#N)n2)C(C)C)cc1 1306917275 CRBDUMXPGMPVPZ-AUUYWEPGSA-N 322.456 4.979 30 20 DJED C[C@H]1CCCC[C@@H]1CNc1c(Br)cccc1C#N 1306951077 SNXJSYAVDYTLLM-WCQYABFASA-N 307.235 4.559 30 20 DJED Cc1ccc(C(C)(C)CNc2ccc(Cl)c(C#N)n2)c(C)c1 1307129695 DECIUYACEKZIEE-UHFFFAOYSA-N 313.832 4.613 30 20 DJED C=CC[C@H](CC)NC(=O)c1nc(-c2ccccc2)oc1C(C)C 1322591257 ZZGPREXZZABYIN-HNNXBMFYSA-N 312.413 4.550 30 20 DJED C[C@H](Nc1cccc(CC#N)n1)c1ccc(F)c2ccccc12 1323402326 FLFSLDLDXIXXMF-ZDUSSCGKSA-N 305.356 4.613 30 20 DJED CC[C@@](C)(C#N)c1nnc(-c2cc3c(s2)CCCCCC3)o1 1330082676 GHUFEOATGWXADY-KRWDZBQOSA-N 315.442 4.648 30 20 DJED CC[C@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)C1CCC(C)CC1 1354184730 RZHQMRJHXWUINE-BOEXQBHPSA-N 312.457 4.588 30 20 DJED CCCCC1CCC(NC(=O)[C@@H](CC#N)c2ccccc2)CC1 1355418923 TVRKGUPSNZNSOM-KVZIAJEVSA-N 312.457 4.549 30 20 DJED C[C@@H](Sc1ccc(C#N)cc1)c1nc(-c2cccs2)no1 1458907866 BGECETBFXWHWBU-SNVBAGLBSA-N 313.407 4.523 30 20 DJED CC(C)(C#N)c1ccccc1COc1cc(Cl)ccc1F 1472992215 TWSCHEFYHDALRG-UHFFFAOYSA-N 303.764 4.859 30 20 DJED C[C@H](CCSc1ccccc1)Sc1cccnc1C#N 1473031383 UWJRMROTUMWPJC-CYBMUJFWSA-N 300.452 4.616 30 20 DJED CC[C@H](C)[C@@H](CNc1ccc(Oc2ccccc2)c(C#N)c1)OC 1474464311 MJZSLAFEUUWXKD-MGPUTAFESA-N 324.424 4.824 30 20 DJED N#CC1(CC(=O)O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCCC1 1523968504 XEOBJRGTSIYMBT-GVDBMIGSSA-N 303.446 4.753 30 20 DJED CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)NCC(C)(C)CC#N 1583480156 ANLHHBVCLFZDEZ-NGEICVOHSA-N 318.505 4.675 30 20 DJED COc1cc(C#N)ccc1CN1CCCCC[C@@H]1c1ccc(C)o1 1615634070 BEJFNZXTQXWMOD-GOSISDBHSA-N 324.424 4.586 30 20 DJED C[C@H](N[C@H](C)c1cc(Cl)ccc1F)c1cccc(C#N)c1 1616623539 TXLNYSOIIKEYKL-NWDGAFQWSA-N 302.780 4.763 30 20 DJED Cc1ccc([C@H](C)CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 1621132581 ZHZYZQOORWPODU-STZQEDGTSA-N 318.464 4.870 30 20 DJED N#Cc1ccccc1OCc1ccc(Cl)cc1Br 1643506901 QVKRNBNJIIGODD-UHFFFAOYSA-N 322.589 4.553 30 20 DJED C[C@H](CN(C)[C@H](C)c1cccc(C#N)c1)c1cc(F)cc(F)c1 1652707826 QCYFAFYZVRYMJS-ZIAGYGMSSA-N 314.379 4.633 30 20 DJED CCCC[C@@H](CC)CNc1c(Br)cccc1C#N 1654948587 OZBHGQCQLULWGY-GFCCVEGCSA-N 309.251 4.949 30 20 DJED COc1ccc(C#N)cc1CN(c1ccccc1)[C@H](C)C(C)C 1655572037 IPPQBPROFNAYKW-MRXNPFEDSA-N 308.425 4.618 30 20 DJED CN(C(=O)Nc1sccc1C#N)c1ccc(C(C)(C)C)cc1 1673282985 QLMODJKPHVSUBH-UHFFFAOYSA-N 313.426 4.586 30 20 DJED CC[C@@H](C)c1ccc(C(=O)/C=C\c2cc(C(=O)O)cs2)cc1 1776699952 JTURPIUHKOMHCA-JLVNDZCYSA-N 314.406 4.856 30 20 DJED C[C@@H](NCc1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1 35256322 BRHCRQQQQUTHHY-LLVKDONJSA-N 305.208 4.716 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccccc1Cl 43146453 QULJVPVQHBASJA-UHFFFAOYSA-N 300.789 4.560 30 20 DJED Cc1c(C(=O)N(C)c2cccc(C#N)c2)oc2c(Cl)cccc12 63325074 YCGTZBBAIVUMMI-UHFFFAOYSA-N 324.767 4.543 30 20 DJED Cc1coc(-c2ccc(C)c(NCc3ccc(F)c(C#N)c3)c2)n1 128062912 QAUFLNFHEKCVRX-UHFFFAOYSA-N 321.355 4.581 30 20 DJED C=C[C@H](CC(=O)N(C)[C@@H](C)c1ccccc1F)c1ccccc1 130281328 IYLBWNRNAQMMRY-JKSUJKDBSA-N 311.400 4.705 30 20 DJED CC(C)(CCC#N)CN(Cc1ccco1)Cc1cccs1 160666759 HHRCTMRZBSXIGV-UHFFFAOYSA-N 302.443 4.673 30 20 DJED CC(C)[Si](C#CI)(C(C)C)C(C)C 170031052 BFUSARJAXABPTC-UHFFFAOYSA-N 308.279 4.600 30 20 DJED C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@H](C)C1CCCCC1 182103173 LRDLRPZIDWNEGF-GJZGRUSLSA-N 314.429 4.522 30 20 DJED C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1Cl 192079958 HTLFUPUDQPIYIO-SNVBAGLBSA-N 323.198 4.855 30 20 DJED COc1ccc(/C=C\C(=O)c2oc3ccccc3c2C)c(OC)c1 205511986 ZZNHKODWULBDEC-LUAWRHEFSA-N 322.360 4.655 30 20 DJED C#CCCOc1ccc(CN[C@@H](C)c2cc(C)sc2C)cc1 237478574 ZMRHYNJIYGGARR-HNNXBMFYSA-N 313.466 4.618 30 20 DJED CSc1ccc(C(=O)/C=C\c2ccc(O[C@H](C)C#N)cc2)cc1 255077966 TUVFOGQFJIQBSN-WTKLMOFPSA-N 323.417 4.595 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2cc(Cl)sc2Cl)s1 255870409 GKNQJKRXBSPUKR-ARJAWSKDSA-N 314.218 4.884 30 20 DJED C=CCCO[C@H](C)c1nc(-c2ccc(C(C)(F)F)cc2)no1 289641540 CSNUAAOXPBIMNI-LLVKDONJSA-N 308.328 4.502 30 20 DJED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)CCCC#N 291781345 WXHZWKYVEXDBFU-INIZCTEOSA-N 322.408 4.767 30 20 DJED N#CCC[C@@H](Nc1nc(-c2ccccc2)ns1)c1ccccc1 301775624 HHSMXCNJOHQOCJ-MRXNPFEDSA-N 320.421 4.662 30 20 DJED Cc1noc(C(C)C)c1/C(O)=N/C[C@@H]1C[C@H]1C1CCCCC1 329339497 NTRFPLUUXLWPTK-GJZGRUSLSA-N 304.434 4.627 30 20 DJED N#Cc1ccc(NC(=O)N[C@H](c2ccccc2)C2CCCC2)cc1 409695882 RTOWOMWVXNLEAH-LJQANCHMSA-N 319.408 4.611 30 20 DJED N#Cc1ccccc1Oc1nc2cc(Cl)cc(Cl)c2o1 433029687 HKJVGAUSRQHRII-UHFFFAOYSA-N 305.120 4.799 30 20 DJED N#C[C@@H]1CC[C@@H](Nc2cccc(COCCc3ccccc3)c2)C1 442852198 FXGOAYLGAOIORC-WIYYLYMNSA-N 320.436 4.550 30 20 DJED CC(C)(C#N)CCCCN(Cc1ccc(F)cc1)CC1CC1 444655063 ZOIFXIZYQPELDU-UHFFFAOYSA-N 302.437 4.758 30 20 DJED C[C@@H](NCc1ccc(-c2ccco2)cc1F)c1ccc(C#N)cc1 447796684 XNBQDMKXUGTABP-CQSZACIVSA-N 320.367 4.808 30 20 DJED N#CC[C@H](CC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccccc1 474418039 WJANLZJDRFSYTF-UAFMIMERSA-N 324.468 4.549 30 20 DJED CC(C)(C#N)CCCOc1ccc(-c2ccc(C#N)cc2)cc1 476473566 VDLIRNSEOMIGBA-UHFFFAOYSA-N 304.393 4.934 30 20 DJED C=CCC(CC=C)C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 485517103 GVZHVDQOLLJKLU-PWRODBHTSA-N 323.480 4.940 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 487585502 SRCDFTAKJUMUQT-OAHLLOKOSA-N 315.800 4.647 30 20 DJED N#CCCNCc1ccc(-c2ccc(Cl)c(Cl)c2)s1 507395700 BFHAPKNMEYLCPJ-UHFFFAOYSA-N 311.237 4.725 30 20 DJED C=CCC[C@H](NCc1ccc(OC(F)F)cc1)c1ccco1 514086357 AAHKZMKSABMDSF-HNNXBMFYSA-N 307.340 4.678 30 20 DJED C[C@H](N[C@@H](C)c1c(F)cccc1Cl)c1ccc(C#N)c(F)c1 540707429 BEJVFRPEBBGWQZ-QWRGUYRKSA-N 320.770 4.902 30 20 DJED C=CC[C@H](CC)NC(=O)NC(c1cccs1)c1cccs1 545254006 OMAXWYYDJIQTTB-LBPRGKRZSA-N 320.483 4.553 30 20 DJED CC(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccccc2CC#N)cc1 549716672 OEHBACITRQZPOA-RBUKOAKNSA-N 318.420 4.618 30 20 DJED C[C@H]1SCCN(Cc2ccc(-c3ccccc3C#N)cc2)[C@@H]1C 558246641 APIILVYAGQHKMM-HZPDHXFCSA-N 322.477 4.551 30 20 DJED N#Cc1ccc(CNc2ccsc2Cl)c(C(F)(F)F)c1 579768656 OMLHDBMFKFFAAX-UHFFFAOYSA-N 316.735 4.904 30 20 DJED Cn1c(S[C@@H](C#N)C2CCCCC2)nc2cc(Cl)ccc21 582114469 PUCUHVOELJSZMO-HNNXBMFYSA-N 319.861 4.791 30 20 DJED N#Cc1ccc2c(c1)[C@@H](NCCc1csc3ccccc13)CC2 584261528 IIAMALJSPXDZHC-IBGZPJMESA-N 318.445 4.593 30 20 DJED CCCC(C)(C)NCc1cccc(OCc2cccc(C#N)c2)c1 609544499 RTMWDALVTAHJMW-UHFFFAOYSA-N 322.452 4.806 30 20 DJED Cc1cc(C=NNc2ccccc2F)ccc1Oc1cccnc1 732712820 QDIYKNZAJPSSDL-UHFFFAOYSA-N 321.355 4.767 30 20 DJED c1ccc2c(c1)oc1c(NN=C3CCC[C@@H](C4CC4)C3)ncnc12 737426861 FRCZFXQGLZOVOW-CYBMUJFWSA-N 320.396 4.744 30 20 DJED COc1cc(/C=C2\Cc3cc(C)ccc3C2=O)ccc1SC 746347362 ZEIKRUCKSYAIQB-OQLLNIDSSA-N 310.418 4.548 30 20 DJED CC(=NNc1cccc(Cl)c1F)c1c(C)nn(C(C)C)c1C 746495191 ZFPYPJMDOUTANS-UHFFFAOYSA-N 322.815 4.709 30 20 DJED C=C[C@H](CC(=O)OCCCCC(F)(F)F)c1ccccc1 758908046 NDCLVFGQBQJGIQ-CYBMUJFWSA-N 300.320 4.622 30 20 DJED N#Cc1cccc(SCc2c(F)c(F)c(F)c(F)c2F)c1 759056735 XUFWFSFUXFCSBZ-UHFFFAOYSA-N 315.266 4.546 30 20 DJED CCCn1nc(C)c(/C=C\C(=O)c2c(C)[nH]c3ccccc23)c1C 759664797 CJYIDSRGRQLZNX-KHPPLWFESA-N 321.424 4.596 30 20 DJED Cc1nc([C@H](C)ON=C2CCC2)oc1-c1ccc(Cl)cc1 763187705 XCLGEZLTYQECFK-NSHDSACASA-N 304.777 4.921 30 20 DJED FC(F)C1CC(=NN(Cc2ccccc2)c2ccccc2)C1 766011577 ZHMFMFQUCQMEPR-UHFFFAOYSA-N 300.352 4.724 30 20 DJED CC(C)CN(CCC#N)Cc1nc(C2CCCCC2)cs1 769728165 KCUNFIHLVJRLQC-UHFFFAOYSA-N 305.491 4.562 30 20 DJED O=C(/C=C/c1ccc(Br)cc1Cl)c1ccco1 769769839 DAZWVJGSXODHSE-GQCTYLIASA-N 311.562 4.592 30 20 DJED CCCC(=NNc1nc(C(F)(F)F)cs1)c1ccsc1 785457917 UPKGYUGTJRAQIW-UHFFFAOYSA-N 319.377 4.840 30 20 DJED CCc1cccc(Cl)c1C=NNCc1ccccc1Cl 788714736 MWZGBRTYMXMEKO-UHFFFAOYSA-N 307.224 4.680 30 20 DJED COc1ccc2nc(/C=C\C(=O)c3sccc3C)sc2c1 788733098 MXDPHJMKECDPQJ-WAYWQWQTSA-N 315.419 4.571 30 20 DJED CSc1ccc(C(=O)/C=C\c2ccnn2C(C)C)c(Cl)c1 794944296 AAMAJALZDNELPT-DAXSKMNVSA-N 320.845 4.735 30 20 DJED N#Cc1ccc2c(c1)C(=O)/C(=C/c1cc3ccccc3s1)C2 811695235 AYWIRJMIKAXVEL-XNTDXEJSSA-N 301.370 4.595 30 20 DJED CCCc1ccc(NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1 824012899 WVOFDAXTWHNPJV-HNNXBMFYSA-N 321.424 4.736 30 20 DJED CC[C@@H](Nc1ccc([C@H]2CCOC2)cc1)c1cccc(C#N)c1 903001615 WBYPJNKDNINPTL-AZUAARDMSA-N 306.409 4.625 30 20 DJED Clc1ccccc1NN=Cc1csc(Br)c1 914554378 JKKQAWNUIJQITF-UHFFFAOYSA-N 315.623 4.610 30 20 DJED N#Cc1ccc(CNCc2ccc(-c3ccccc3Cl)o2)cc1 915680876 GVPGVYSEAMGHMU-UHFFFAOYSA-N 322.795 4.761 30 20 DJED C[C@H](OC(=O)c1ccc(C2CCC2)cc1)c1ccc(C#N)cc1 1126637692 LDVQIABCQYJLOH-AWEZNQCLSA-N 305.377 4.744 30 20 DJED CC1(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CCC1 1129023224 PUTUSFNNFOCCSE-UHFFFAOYSA-N 322.433 4.838 30 20 DJED N#CCC1(CN[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)CC1 1192682011 TUPDRIPOPVNXBQ-IBGZPJMESA-N 324.855 4.907 30 20 DJED CC1(C#N)CCC(Nc2cccc(Oc3ccccc3)n2)CC1 1207775444 QTXNSQQKNLUZBJ-UHFFFAOYSA-N 307.397 4.758 30 20 DJED C[C@@H](Nc1snc(Cl)c1C#N)c1cc(Cl)ccc1F 1307089865 VAUXCRAGDVZKBH-ZCFIWIBFSA-N 316.188 4.634 30 20 DJED Cc1ccc([C@@H]2C[C@@H](C)N(Cc3ccc(C#N)c(C)c3)C2)cc1 1308723152 FJPDNCLXIBDKEF-DYESRHJHSA-N 304.437 4.553 30 20 DJED CC1(C)CC(CNc2snc(Cl)c2C#N)CC(C)(C)C1 1458480012 NWJUIPMAQCKWDF-UHFFFAOYSA-N 311.882 4.933 30 20 DJED COc1ccc([C@H](C)SCc2cc(C#N)ccc2OC)cc1 1458921164 LOQVLGCIKHQGTF-ZDUSSCGKSA-N 313.422 4.570 30 20 DJED Cc1nc2cc(NC3CC(C#N)(c4ccccc4)C3)ccc2s1 1462607409 XFVAQRQPHKPISY-UHFFFAOYSA-N 319.433 4.641 30 20 DJED C[C@@H]1CC[C@@H](CC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 1526614175 YCDQWEBJAMSPPG-ZIAGYGMSSA-N 314.429 4.500 30 20 DJED C[C@H](OC(=O)c1ccc(-c2ccco2)s1)c1cccc(C#N)c1 1534849852 AIZPHGPXVACKSE-LBPRGKRZSA-N 323.373 4.798 30 20 DJED Cc1nnc(SCC[C@@H]2C[C@@H](C)C[C@@H](C)C2)c(C#N)c1C 1613462210 KXXIRYJNJSQTDS-JYAVWHMHSA-N 303.475 4.520 30 20 DJED N#Cc1cccnc1Nc1cccc(CSC2CCCC2)c1 1639501134 AZIMDKKFSALSII-UHFFFAOYSA-N 309.438 4.873 30 20 DJED CC(C)[C@@H](C)N(Cc1ccc(OCC#N)cc1)c1ccccc1 1648301296 YKCCQXMPIWZFAG-QGZVFWFLSA-N 308.425 4.640 30 20 DJED Cc1cc(C)cc(C[C@H](C)Nc2nc(C(C)(C)C)ccc2C#N)c1 1651573071 ZXGRRSLLNVDGSX-INIZCTEOSA-N 321.468 4.911 30 20 DJED CCCOc1cccc(COc2cc(Cl)cc(C#N)c2)c1 1652869532 ZGLKUSOWXXACBW-UHFFFAOYSA-N 301.773 4.579 30 20 DJED Cc1c(C#N)cccc1NC(=O)N[C@H](C)c1cccc(C2CC2)c1 1669814744 RPSDJXDSKGVHHB-CQSZACIVSA-N 319.408 4.627 30 20 DJED CC[C@@H](C)[C@@H]1CCC(=NNc2ccc(Cl)c(C(=O)O)c2)C1 1776033905 WXYISCCXYUUKDH-GHMZBOCLSA-N 308.809 4.652 30 20 DJED Cc1c(NN=C2CC[C@@H](C)c3ccccc3C2)cccc1C(=O)O 1776089560 YHUYUJQBIKBFDP-CYBMUJFWSA-N 322.408 4.601 30 20 DJED O=C(/C=C/c1ccccc1Br)c1ccc(F)cc1F 6337381 QQOLQDNOZQHVOM-VMPITWQZSA-N 323.136 4.623 30 20 DJED N#CCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 33858099 KWPAFKWKDCDGCV-UHFFFAOYSA-N 305.406 4.749 30 20 DJED COc1ccc([C@@H](C)N[C@H](CCC#N)c2ccccc2)cc1F 90665906 KICQEVSEISQSDN-RDTXWAMCSA-N 312.388 4.530 30 20 DJED N#C[C@H](C(=O)C1CCCCCC1)c1nc(-c2ccccc2)cs1 102121621 BVSPTIRBAILQOD-MRXNPFEDSA-N 324.449 4.957 30 20 DJED CCN(Cc1csc(C(C)C)n1)[C@H](C)c1ccc(C#N)cc1 125752561 AUMRDWHSNCHILO-CQSZACIVSA-N 313.470 4.721 30 20 DJED C=CCCNc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 157162277 HDRXWYTZJFHRRC-UHFFFAOYSA-N 324.302 4.539 30 20 DJED CCc1ccc([C@@H](C)NCc2cccc(OCCCC#N)c2)cc1 236956972 BUJOTUFBUZGTNT-QGZVFWFLSA-N 322.452 4.782 30 20 DJED C=CCc1ccc(OCc2coc(-c3ccccc3)n2)c(OC)c1 247934050 UHHDZBQYDKJWFG-UHFFFAOYSA-N 321.376 4.658 30 20 DJED CC[C@H](NCc1ccc2[nH]c(C)cc2c1)c1ccc(C#N)cc1 285684020 NTMZDZOPUGMWIO-IBGZPJMESA-N 303.409 4.589 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N(C)CCc1cccc2ccccc12 303697394 NLBZNZAABRIWOL-KRWDZBQOSA-N 314.432 4.947 30 20 DJED CC[C@H](NCC(C)(C)CCC#N)c1cccc(Br)c1 348225592 KHBNQWRJDRVUBK-HNNXBMFYSA-N 323.278 4.820 30 20 DJED N#CCC[C@H](NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21)c1ccccc1 354194828 JADNJVFVCCWZAO-NBYUQASBSA-N 324.468 4.754 30 20 DJED Cc1cc(C)c(NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c(C)c1 425629055 YDXFOEQVWHNVKP-INIZCTEOSA-N 321.424 4.708 30 20 DJED Cc1ccc(CNc2ccc(Oc3ccccc3)c(C#N)c2)nc1 428412490 MFAJWORTMVXIKJ-UHFFFAOYSA-N 315.376 4.666 30 20 DJED C=CCN(C)C(=O)N[C@H](CCC)c1ccc(Cl)c(Cl)c1 430396669 DGDLRRIQXHTUQD-CQSZACIVSA-N 315.244 4.662 30 20 DJED C=CCC(C)(C)CNC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 432558797 BIQDZIUSPQZHSV-ZDUSSCGKSA-N 308.853 4.645 30 20 DJED C=C[C@](C)(CC)C(=O)N(C)c1nc2cc(Cl)ccc2s1 435975846 ATOVVRBJMZCVKJ-OAHLLOKOSA-N 308.834 4.515 30 20 DJED Cc1ccc(-c2nc(CSc3ccccc3C#N)co2)cc1 439714483 LIPGNUHGTOPTBF-UHFFFAOYSA-N 306.390 4.814 30 20 DJED C[C@@H]1CCC[C@H](CC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 464934767 DVUWVPVMGZDRLJ-BWPNAZKDSA-N 324.468 4.501 30 20 DJED C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)c1ccccc1 483695325 GSTWPQOGIAFORA-INIZCTEOSA-N 300.446 4.526 30 20 DJED C=CC[C@@H](C(=O)Nc1nc(-c2ccco2)cs1)c1ccccc1 486221796 WEEZDEJNTHYXKS-CQSZACIVSA-N 324.405 4.702 30 20 DJED CC(C)CN(C(=O)c1cc2ccccc2o1)c1ccc(C#N)cc1 499302663 UFAIPHJDAWLWDT-UHFFFAOYSA-N 318.376 4.607 30 20 DJED CCN(C(=O)c1cc(C#N)ccc1Cl)c1cccc(Cl)c1 505632792 KYAATDOLXGPIAQ-UHFFFAOYSA-N 319.191 4.532 30 20 DJED C=CCC(C)(C)C(=O)Nc1cnn(-c2ccccc2)c1C(C)C 506851835 RQALAILWCHESKM-UHFFFAOYSA-N 311.429 4.537 30 20 DJED N#Cc1ccc(CNc2ccc3nc(C(F)F)sc3c2)s1 513022603 VYWFOJVWLLPKMH-UHFFFAOYSA-N 321.377 4.779 30 20 DJED CCCCN(CCCC1(C#N)CCOCC1)[C@@H]1CCC[C@@H](C)C1 520201007 OASQSTZGPCAYDL-RTBURBONSA-N 320.521 4.768 30 20 DJED C=CCCC(=O)Nc1nc(C)c(Cc2cccc(Cl)c2)s1 523275459 XOVDXXYMHFCENM-UHFFFAOYSA-N 320.845 4.600 30 20 DJED C=CCN(C(=O)Nc1ccc2nc(C(C)C)sc2c1)C1CC1 536814755 HRIXKAMMRZHQTR-UHFFFAOYSA-N 315.442 4.602 30 20 DJED C[C@@H](C#N)CN(C)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 540998219 WYQODMLFXCTORO-LBPRGKRZSA-N 322.330 4.557 30 20 DJED N#CCC1CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 543779932 JIPCRIBBAGFHAC-UHFFFAOYSA-N 314.816 4.726 30 20 DJED CCc1ccc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cc1 552969980 BEIUVPGVTBIFRG-BTYIYWSLSA-N 304.437 4.849 30 20 DJED CC(C)(C#N)CCSCc1cccc(OCC(F)(F)F)c1 554705406 HKYDEJMEIAXSMK-UHFFFAOYSA-N 317.376 4.801 30 20 DJED C[C@H](NCCCC#N)c1ccc(-c2c(F)cccc2F)cc1 558506304 YYJVBWQTLUUENB-ZDUSSCGKSA-N 300.352 4.586 30 20 DJED CCCN(Cc1ccc(C#N)cc1)[C@H](C)c1c(F)cccc1F 563316185 MTVUUFWQXMUBDL-CQSZACIVSA-N 314.379 4.810 30 20 DJED N#CCCN(C(=O)c1cccc2ccsc12)c1ccc(F)cc1 565455956 RENLWVGVLXOZFO-UHFFFAOYSA-N 324.380 4.601 30 20 DJED Cc1cc(SCC(=O)Nc2ccccc2C(C)C)ccc1C#N 571046144 ZBTGGRIPESCCQT-UHFFFAOYSA-N 324.449 4.721 30 20 DJED CC[C@@H]1CCc2ccccc2N1C(=O)c1cc(C#N)ccc1Cl 582552900 DFKSOLTWNOVOKS-OAHLLOKOSA-N 324.811 4.583 30 20 DJED N#Cc1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1Cl 585709568 YLERNTGKZVJIOQ-UHFFFAOYSA-N 324.811 4.662 30 20 DJED C=CCN(Cc1ccccc1)C(=O)C[C@@H](C)c1ccccc1F 588360650 RLSPSUOWKADBJV-MRXNPFEDSA-N 311.400 4.534 30 20 DJED CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)CCCCCC#N 588679968 ZJDOVVBRPMRCRO-XLIONFOSSA-N 312.457 4.536 30 20 DJED C=C(C)COc1cccc(NC(=O)N(C)Cc2ccccc2C)c1 589741090 RCHNXZGWAPSUNF-UHFFFAOYSA-N 324.424 4.614 30 20 DJED C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)c1ccncc1 609782844 CSPOPTXKSMEFQN-AWEZNQCLSA-N 317.417 4.869 30 20 DJED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1Oc1ccccc1 619672629 MADBZZWOLAUKHZ-YESZJQIVSA-N 306.409 4.822 30 20 DJED CC(=NN=C1c2ccccc2-c2ccccc21)c1ccc(N)cc1 725797895 MGSFCBRIVORJKG-UHFFFAOYSA-N 311.388 4.511 30 20 DJED O=C(/C=C/C=C\c1ccccc1)c1ccccc1OC(F)F 728694735 HIKTZFPJOHGDJE-YMSJWGFRSA-N 300.304 4.740 30 20 DJED CSc1ccc2c(c1)CC/C(=C\c1cccnc1Cl)C2=O 728697849 XTAUOZOBGOEKLD-FMIVXFBMSA-N 315.825 4.669 30 20 DJED COCc1ccc(/C=C\C(=O)c2ccc(C(F)(F)F)cc2)cc1 741842290 GLKYFTCHRDCXML-WDZFZDKYSA-N 320.310 4.748 30 20 DJED C=CCN(C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C(C)C 746511186 RUVJQTANWFVXCN-NSHDSACASA-N 300.229 4.520 30 20 DJED CCc1ccc(C(=O)/C=C\c2cccc(-c3ccccn3)c2)o1 747693979 STJQHWUDWPVUIB-LUAWRHEFSA-N 303.361 4.800 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1CCC(c2cccc(F)c2)CC1 752089177 LSRSMMPPVGTHRY-HNNXBMFYSA-N 308.400 4.638 30 20 DJED Cc1cc(C=NOc2ccccc2C(F)(F)F)c(C)n1C1CC1 754725639 YTERYUQPUPJYLL-UHFFFAOYSA-N 322.330 4.872 30 20 DJED N#Cc1cccc(C(=O)/C=C/c2ccc(C(F)(F)F)s2)c1 761476383 HNWANZYLAMZWNL-GQCTYLIASA-N 307.296 4.535 30 20 DJED C#CCOc1ccc([C@H](C)N[C@@H](C)c2cc(C)sc2C)cc1 764764971 XBMSAPOHEMJVMC-GJZGRUSLSA-N 313.466 4.789 30 20 DJED O=C(/C=C\c1cccc2nccn12)c1ccc(Cl)c(Cl)c1 771281052 IVKQPXKIEKIFHM-ALCCZGGFSA-N 317.175 4.537 30 20 DJED O=C(/C=C\c1coc(-c2ccccc2)n1)c1cccc(F)c1F 776267864 HGDMPIVRMKEOKI-KTKRTIGZSA-N 311.287 4.516 30 20 DJED Cc1ccc(-c2ccc(CNc3cccc(OCC#N)c3)o2)cc1 779587654 DXYDWUMXPGYIRG-UHFFFAOYSA-N 318.376 4.770 30 20 DJED O=C(/C=C/c1nc(Cl)cs1)c1cc2ccccc2s1 780189359 YEVNCHALZDVREK-AATRIKPKSA-N 305.811 4.907 30 20 DJED CSc1ccc(C(=O)/C=C/c2ccc3cnccc3c2)cc1F 782340409 CEJRQMUFLGWTGT-ZZXKWVIFSA-N 323.392 4.992 30 20 DJED CCOc1cc(/C=C\C(=O)c2csc(Cl)c2)ccc1OC 787187164 YETUJTUCKVXUOL-XQRVVYSFSA-N 322.813 4.705 30 20 DJED COc1ccc(C(=O)/C=C/c2ccnn2C(C)C)c2ccccc12 794939153 PEBMRFCWIXVFQF-CSKARUKUSA-N 320.392 4.522 30 20 DJED C[C@@H](C#N)OCCS[C@H](C)c1cc(Cl)ccc1Cl 802750962 FJTDMDFXPCGTAY-VHSXEESVSA-N 304.242 4.716 30 20 DJED CC(/C=C\C(=O)c1ccco1)=C/c1ccccc1OC(F)F 811693651 OGVPDXXJIXBQJC-MURFETPASA-N 304.292 4.723 30 20 DJED C[C@@H](C#N)Oc1ccc(CNc2ccccc2C(C)(F)F)cc1 824721259 AYABVMSIJHFIHB-ZDUSSCGKSA-N 316.351 4.701 30 20 DJED CC1(C#N)CCC(=NNCc2cccc(Cl)c2Cl)CC1 834972580 IIEWXCCDBDEIBU-UHFFFAOYSA-N 310.228 4.543 30 20 DJED N#C[C@@H](CCc1ccccc1)c1nc(-c2cccc(Cl)c2)no1 904289335 UPCSVNAMBMTMIG-OAHLLOKOSA-N 323.783 4.630 30 20 DJED CC[C@H](C)[C@H](C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 1126054070 SKDNGTUTXAEQCT-GJZGRUSLSA-N 322.408 4.971 30 20 DJED N#Cc1ncccc1SCc1ccc(-c2ccsc2)cc1 1166182644 HVUWMNUMWQFYHG-UHFFFAOYSA-N 308.431 4.974 30 20 DJED CC(C)C[C@@H](C)OC(=O)N(CC(C)C)c1ccc(C#N)cc1 1208622003 BSTZWYPPAPRKBW-OAHLLOKOSA-N 302.418 4.592 30 20 DJED Cc1ccc(C)c([C@H]2CCCN2C(=O)CC2(C#N)CCCCC2)c1 1294944520 GATDJYPKYRJUCO-LJQANCHMSA-N 324.468 4.831 30 20 DJED Cc1ccc(O)c2c1[C@@H](C)CC2=NNc1cccc2cnccc12 1320698737 KURXYCUWUUYZHS-ZDUSSCGKSA-N 317.392 4.572 30 20 DJED CN(C(=O)c1ccc(-c2cccs2)s1)c1cccc(C#N)c1 1320873511 MYOAKWINPRBLID-UHFFFAOYSA-N 324.430 4.625 30 20 DJED N#Cc1ccc(C(=O)N[C@H](CC2CCCC2)c2ccccc2)s1 1435627760 VQOWVNFOMLWEJR-QGZVFWFLSA-N 324.449 4.671 30 20 DJED Cc1c(Cl)cnc(NCc2ccc3sccc3c2)c1C#N 1458412877 DMZDFOLBAVSCMM-UHFFFAOYSA-N 313.813 4.742 30 20 DJED CC(C)c1ccc(-n2ccnc2S[C@@H]2CC[C@H](C#N)C2)cc1 1458835212 NLIGUEHDPIXDLG-WMLDXEAASA-N 311.454 4.780 30 20 DJED CC[C@@H]1[C@H](C)CCN1Cc1ccc(-c2ccccc2C#N)cc1 1459993751 HBDDNLYEXHRWOF-IIBYNOLFSA-N 304.437 4.846 30 20 DJED Cc1nc(N[C@H](C)C(C)(C)c2ccccc2)c(Cl)cc1C#N 1472730451 BDTZLFQFDBMIOE-CYBMUJFWSA-N 313.832 4.693 30 20 DJED N#CC1(CC(=O)O[C@@H]2CCc3cc(Cl)ccc32)CCCCC1 1536140325 LTCUPIUWUGIFEQ-MRXNPFEDSA-N 317.816 4.735 30 20 DJED Cc1ccc(C(=O)Nc2cccc3c2[C@H](C)CC3(C)C)cc1C#N 1538362347 DGBGDHBZPLLLJS-CQSZACIVSA-N 318.420 4.904 30 20 DJED C[C@H](Nc1cccc(C#N)n1)c1ccc(-c2ccc(F)cc2)cc1 1559143283 RJFKLGOLNBRMDJ-AWEZNQCLSA-N 317.367 4.932 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1NCCC1CC(F)(F)C1 1559206919 SGDONIPLDMJLGH-UHFFFAOYSA-N 321.758 4.607 30 20 DJED CCCCN(Cc1ccc(F)cc1C#N)[C@H]1CCC[C@@H](C)C1 1559870777 GASYINPPTHPVED-BEFAXECRSA-N 302.437 4.878 30 20 DJED C[C@H](CCC(C)(C)C)C(=O)N(c1ccc(C#N)cc1)C1CCC1 1586911725 KJBSGTCDKVHTOV-OAHLLOKOSA-N 312.457 4.906 30 20 DJED N#CCC1(CSc2nc(-c3ccc(F)cc3)cs2)CC1 1613187031 XHLUYSLRWQMNSN-UHFFFAOYSA-N 304.415 4.735 30 20 DJED CC[C@@H](C)c1ccc([C@@H](NC(=O)c2ccc(C#N)[nH]2)C(C)C)cc1 1623977076 KHIXWCUYJJGROH-KUHUBIRLSA-N 323.440 4.527 30 20 DJED N#Cc1ccccc1OCc1cccc(Br)c1Cl 1640720936 OUCGDNDHUQHPCZ-UHFFFAOYSA-N 322.589 4.553 30 20 DJED Cc1ccc(C)c(C(=O)CSc2ccc(C#N)cc2Cl)c1 1643785228 JHMFDWUJXZEYKJ-UHFFFAOYSA-N 315.825 4.804 30 20 DJED Cc1nc(NCc2ccc3sccc3c2)c(Cl)cc1C#N 1651915533 SSQRWGYRFCVAGN-UHFFFAOYSA-N 313.813 4.742 30 20 DJED Cc1nc(N2CCC(C3CCCCC3)CC2)c(Cl)cc1C#N 1652016372 AOSQXEKGEUBNME-UHFFFAOYSA-N 317.864 4.712 30 20 DJED C=C(Br)CN1CCCSc2ccc(Cl)cc21 1652777338 QNOBDFWSNSSGNT-UHFFFAOYSA-N 318.667 4.551 30 20 DJED Cc1ccccc1CCCN1CCC(c2ccc(C#N)cc2)CC1 1654932821 QNKCAYFFAQCWOT-UHFFFAOYSA-N 318.464 4.679 30 20 DJED Cc1cc(CN[C@@H]2CCC[C@@H](c3ccccc3)C2)ccc1C#N 1657312913 RSHFQLCDTWBOEL-TZIWHRDSSA-N 304.437 4.683 30 20 DJED N#Cc1ccc(CNCC2CCC(c3ccccc3)CC2)cc1F 1658352012 WDCMSWMALWHVGP-UHFFFAOYSA-N 322.427 4.761 30 20 DJED CCCC1CCC(C(C)=NNc2cccc(C(=O)O)c2)CC1 1776038625 VAINQXVAAHGIOK-UHFFFAOYSA-N 302.418 4.779 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(F)c(Cl)c2)cc1F 71923728 GCDTZWGHEOQCTD-QHHAFSJGSA-N 308.711 4.523 30 20 DJED C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N(C)CCC#N 133532789 DZQGGXRTAKYRNY-JTQLQIEISA-N 324.211 4.555 30 20 DJED C=CCCCCCN(C)Cc1nnc(-c2ccc(Cl)cc2)o1 150875670 OEHMGQUHIWFVAT-UHFFFAOYSA-N 319.836 4.568 30 20 DJED CC[C@H](CC#N)NC(=O)Nc1ccc(SC(C)(C)C)cc1C 155959332 KJTPODKOBPARIO-CYBMUJFWSA-N 319.474 4.699 30 20 DJED C=CCN(C)C(=O)Nc1cccc(CSC2CCCC2)c1 157471810 FODVSGZMDHTKJC-UHFFFAOYSA-N 304.459 4.512 30 20 DJED Cc1ccc(N[C@H](C)c2cccc(C#N)c2)cc1OC(F)F 182160291 MGXLOJDYYSQQFJ-GFCCVEGCSA-N 302.324 4.641 30 20 DJED CC(C)(C)C[C@H](NCc1ccc(OCC#N)cc1)c1ccccc1 193019220 UJMVSQBIGKLASV-FQEVSTJZSA-N 322.452 4.856 30 20 DJED C[C@H](NCCCC1(C#N)CCOCC1)c1cccc2ccccc12 282043659 RDEXOWVBZMTPGT-KRWDZBQOSA-N 322.452 4.591 30 20 DJED N#Cc1cccc(Cl)c1N[C@H](c1ccccc1)c1ccccn1 301199079 LQWMYFDLXJIMFN-LJQANCHMSA-N 319.795 4.808 30 20 DJED Cc1noc(C)c1[C@H](C)C/C(O)=N/[C@H]1CSc2ccccc21 328705186 YPLBEUJPODUNFW-YGRLFVJLSA-N 316.426 4.589 30 20 DJED CC(C)c1ccc(N/C(O)=N/C[C@]2(C)CCOC2)c(C(C)C)c1 330754887 JTXKFWHJQCVRRW-IBGZPJMESA-N 318.461 4.686 30 20 DJED CC(C)[C@@H](Nc1ncc(C#N)cc1Cl)c1ccc(F)cc1 409540051 XFCXZQNTVJINRR-OAHLLOKOSA-N 303.768 4.555 30 20 DJED Cc1ccsc1CCCC(=O)Nc1sc(C)c(C)c1C#N 439851871 PBEVIJHSOZWZQH-UHFFFAOYSA-N 318.467 4.568 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cc(Cl)ccc1F 444715364 MUCUBHORALHUJK-LBPRGKRZSA-N 302.780 4.544 30 20 DJED CC[C@H](Nc1cc(F)ccc1OC(F)F)c1ccc(C#N)cc1 447599568 KKNPEDAKUUMGRE-AWEZNQCLSA-N 320.314 4.862 30 20 DJED CC1(C)CCC[C@@H](C(=O)Nc2ccc(CC#N)cc2Cl)C1 452649772 YBQYMUMYDYOZSM-CYBMUJFWSA-N 304.821 4.561 30 20 DJED CSc1ccc(F)cc1CNc1ccc(Cl)cc1C#N 467026012 WIZXNWTVLDFMER-UHFFFAOYSA-N 306.793 4.685 30 20 DJED CC[C@H](CC#N)N[C@@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 468476281 SBTLPHXCZLXPSG-DVOMOZLQSA-N 311.256 4.911 30 20 DJED C[C@@]1(NCc2ccc(Cl)cc2C#N)CCCc2ccccc21 480744538 YKYMVEDCQVYMFZ-LJQANCHMSA-N 310.828 4.553 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@H]2CC[C@H](c3ccccc3F)C2)c1 481085448 DRZZGYHFCZNSSV-RDJZCZTQSA-N 322.383 4.648 30 20 DJED C=CCC[C@@H](CCC)N[C@H](C)c1nc(-c2cccc(F)c2)no1 483348127 VTUMOGDWRIBFCJ-CZUORRHYSA-N 317.408 4.661 30 20 DJED C[C@@H](CC(=O)N[C@H](C#N)c1ccc(Cl)cc1)C1CCCCC1 499836058 IAOPLWCHIRIVTB-SUMWQHHRSA-N 318.848 4.627 30 20 DJED CC1(C#N)CCN(Cc2ccc(-c3ccccc3)cc2F)CC1 507704871 COMAWJIMISZAQN-UHFFFAOYSA-N 308.400 4.618 30 20 DJED CO[C@@H](CSc1ccccc1C#N)c1ccc(Cl)cc1 509061072 PWPPXXFICMMVSS-HNNXBMFYSA-N 303.814 4.691 30 20 DJED C[C@@H](CC1CCCCC1)C(=O)N[C@H](C#N)c1ccccc1Cl 510277719 VKTYCJURPFKBHV-SUMWQHHRSA-N 318.848 4.627 30 20 DJED CCc1c(C)sc(NC(=O)c2c(C)cc(C)cc2C)c1C#N 535618326 UFBOEGVIGBXCCT-UHFFFAOYSA-N 312.438 4.668 30 20 DJED CCC[C@@H](C)N(C)C(=O)c1ccccc1Oc1ccccc1C#N 540873691 KEUMTZFBSXGKSC-OAHLLOKOSA-N 322.408 4.611 30 20 DJED CC(C)c1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)s1 546153519 NCUKAZDIUXDSJG-UHFFFAOYSA-N 316.451 4.546 30 20 DJED C=CCC[C@H](NCCc1cc(C(F)(F)F)ccn1)c1ccco1 550882424 NJUSQBDYGVRSES-HNNXBMFYSA-N 324.346 4.533 30 20 DJED C=C(C)CN(CC)C(=O)[C@@H](C)S[C@H]1CCCc2ccccc21 555123008 DMMFCIVYDHNDNZ-QAPCUYQASA-N 317.498 4.610 30 20 DJED N#C[C@H](Nc1ccc(F)c(C(F)(F)F)c1)C1CCCCC1 609676980 JKPNQWFITJIDTA-AWEZNQCLSA-N 300.299 4.729 30 20 DJED N#Cc1cnc(Nc2cccc(NC3CCCC3)c2)c(Cl)c1 609840027 ZPYXXAUCRHLBFX-UHFFFAOYSA-N 312.804 4.705 30 20 DJED N#Cc1ccc(NCc2ccccc2OCC2CC2)cc1Cl 610077093 DGGJBYDVMCLOPN-UHFFFAOYSA-N 312.800 4.613 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)c1ccsc1 669882596 VJEWZQMVKIELNU-HNNXBMFYSA-N 314.454 4.597 30 20 DJED N#Cc1ccc(S[C@H]2CCCCCC2=O)cc1C(F)(F)F 679842384 NEYVXGSIJLOBGB-AWEZNQCLSA-N 313.344 4.571 30 20 DJED Cc1cc(C=NNc2ccccc2)ccc1Oc1cccnc1 732709664 GMSDRPKXQWWZEM-UHFFFAOYSA-N 303.365 4.628 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C/c3ccc(SC)cc3)c2c1 734307730 RNCFYMHPJUTTMT-BJMVGYQFSA-N 323.417 4.795 30 20 DJED C[C@@H]1Sc2sccc2C(=O)/C1=C/c1cccc(F)c1F 742437053 QQHRGMYPIXZLML-LBTPYSACSA-N 308.374 4.787 30 20 DJED CCO[C@@H]1C[C@H](/N=C/c2c(O)ccc3ccccc23)C12CCCC2 743044583 MHQXZRWUSXGZHQ-IYFKYTRQSA-N 323.436 4.702 30 20 DJED C=C(C)CCOC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 744303903 DXUMJGZHSPDJLD-UHFFFAOYSA-N 321.829 4.515 30 20 DJED CCCCCCCCNC(=O)N1C[C@H](C)C[C@@H]1c1cccnc1 754241883 GDOHYFNFNNQRAP-SJLPKXTDSA-N 317.477 4.535 30 20 DJED C[C@H]1C[C@@H]1c1ccc(C=NOc2ccccc2C(F)(F)F)o1 754712275 JEDVETFCMCPGBP-JQWIXIFHSA-N 309.287 4.835 30 20 DJED O=C(/C=C/c1cc2ccccc2s1)c1csc(C(=O)O)c1 758433244 FMGJFGKCVOYCIR-AATRIKPKSA-N 314.387 4.557 30 20 DJED O=C1/C(=C/c2cccc(-c3cccnc3)c2)Cc2cc(F)ccc21 768490399 OSSKPPSNIDATLV-VCHYOVAHSA-N 315.347 4.710 30 20 DJED O=C(/C=C/c1nc2c(s1)CCCC2)c1ccc(Cl)s1 776262113 ACXYYYKCMAHNNE-VMPITWQZSA-N 309.843 4.633 30 20 DJED CSc1ccc(Cl)c(C(=O)O[C@@H](C#N)C2CCCCC2)c1 776362057 XURONYWSNPJCAX-HNNXBMFYSA-N 323.845 4.691 30 20 DJED O=C1/C(=C\c2scnc2C2CC2)CCc2c(Cl)cccc21 782350801 DSWLCENGPTUWKO-FLIBITNWSA-N 315.825 4.886 30 20 DJED Cc1cc(C)c(N=Cc2cc(Cl)cc(Cl)c2O)cc1CO 787140879 JLLRQVNZYGITFQ-UHFFFAOYSA-N 324.207 4.559 30 20 DJED Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccc2cc(O)ccc2c1 798370511 OVNCARWITNNUNC-VQHVLOKHSA-N 320.392 4.527 30 20 DJED CC(C)c1nc(C(=O)/C=C\c2coc(-c3ccccc3)n2)cs1 812244040 YJAHDDYOKKMSPL-HJWRWDBZSA-N 324.405 4.818 30 20 DJED CCCC(=NNc1ccccc1C(F)(F)F)c1ccccn1 814689276 YCIIMWQDNOPCLC-UHFFFAOYSA-N 307.319 4.717 30 20 DJED C=CCC(F)(F)C(=O)N1CCCCC[C@H]1/C=C\c1ccccc1 815774297 UFTQXDQMDZQJFO-QOHRORDFSA-N 319.395 4.682 30 20 DJED C[C@H]1CC[C@H](C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)CC1 845447166 AWJSFFCWECUPJW-BPUTZDHNSA-N 324.449 4.813 30 20 DJED CC(=NNc1ccc(Cl)c(C(=O)O)c1)c1cc(C)sc1C 916259470 JFWOTPAXLLCCNL-UHFFFAOYSA-N 322.817 4.553 30 20 DJED C=CCN(C(=O)N[C@H](c1ccc(Cl)cc1)C(C)C)C(C)C 918062442 FJESDMRGUXZTET-INIZCTEOSA-N 308.853 4.643 30 20 DJED C=CCN(CCC(=O)Nc1ccccc1-c1ccccc1)C(C)C 920411821 JADZZCXTMFMRRB-UHFFFAOYSA-N 322.452 4.579 30 20 DJED CCCCN(C(=O)c1ccc(C)c(C#N)c1)[C@H](C)c1ccc(C)o1 1124887100 UDSOWCKBYOXPDM-MRXNPFEDSA-N 324.424 4.772 30 20 DJED C[C@@H](OC(=O)c1ccc(-c2ccco2)s1)c1ccc(C#N)cc1 1126712316 FBNRKBALVFRZFT-GFCCVEGCSA-N 323.373 4.798 30 20 DJED Cc1ccc2sc(N[C@@H](C)c3cccc(C#N)c3)nc2c1C 1164120095 NGBCUFIMSZDJQQ-ZDUSSCGKSA-N 307.422 4.958 30 20 DJED CC(C)Oc1ccc(COc2ccc(C#N)c(F)c2)cc1Cl 1188788100 JBXSRBSWHLLJQT-UHFFFAOYSA-N 319.763 4.717 30 20 DJED CC(C)CCN(CCC#N)Cc1ccc(OC(C)C)c(Cl)c1 1307513821 LISTVXQDPYONDH-UHFFFAOYSA-N 322.880 4.889 30 20 DJED CCC(CC)CN(CCC#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 1443565395 WKYZVQOAPXFZMQ-GUDVDZBRSA-N 318.505 4.771 30 20 DJED C[C@@H](CCC1CCCCC1)NC(=O)c1ccc(Cl)c(C#N)c1 1456333860 LDGBTGFZKSZDBY-ZDUSSCGKSA-N 318.848 4.690 30 20 DJED C[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)C1CCCCCC1 1458787956 HBQMMZMXDOLTKL-VQIMIIECSA-N 312.457 4.549 30 20 DJED C=C(Cl)CNC(=O)N[C@@H](c1ccc([C@H](C)CC)cc1)C(C)C 1467980273 YYSVFYFLHNMIHE-CXAGYDPISA-N 322.880 4.949 30 20 DJED Cc1cc(N[C@@H](c2ccc(F)cc2F)C(C)(C)C)ncc1C#N 1472730377 ORIBHTUADSZZJR-KRWDZBQOSA-N 315.367 4.739 30 20 DJED CCN(C[C@@H](C)CCC#N)[C@H](Cc1ccc(F)cc1)C(C)C 1474345513 PTDUWTPJHJDKFL-QFBILLFUSA-N 304.453 4.655 30 20 DJED C[C@@H](CCN1CCC(c2ccc(C#N)cc2)CC1)c1ccccc1 1474728597 ZJUAWNGJXPWOAM-SFHVURJKSA-N 318.464 4.931 30 20 DJED CC[C@H](C)Oc1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)cc1 1524303457 YHTSMHQWXKXWFI-LSDHHAIUSA-N 323.392 4.654 30 20 DJED Cc1ccc(-c2ccc(C(=O)O[C@@H]3CCC[C@@H](C#N)C3)s2)o1 1528079619 COAXJUHVFBDDEP-CHWSQXEVSA-N 315.394 4.556 30 20 DJED CC[C@@H]1CCc2ccccc2N1C(=O)CC1(C#N)CCCCC1 1532145179 XDDJMDJMBXKDQJ-QGZVFWFLSA-N 310.441 4.609 30 20 DJED Cc1cccc2c(C(=O)N(C)c3ccc(C#N)c(Cl)c3)coc12 1534658991 QEWZPMMEIRHRFH-UHFFFAOYSA-N 324.767 4.543 30 20 DJED CCCc1sc(C(=O)N(CCC#N)C(C)(C)CC)cc1CC 1537840927 WRTQAKRKDAYTIT-UHFFFAOYSA-N 320.502 4.807 30 20 DJED N#CC1(CCN2CCC[C@@H]2c2ccc(F)c(F)c2)CCCCC1 1615535769 NCIUBWJDPOAYGZ-GOSISDBHSA-N 318.411 4.966 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C 1641808878 RKPGUOKLAYXXBJ-VCBZYWHSSA-N 308.400 4.636 30 20 DJED CCC[C@@H](Cc1ccccc1)Nc1nc(C)c(C#N)cc1Cl 1642214186 AVKXBAJCDYXCRO-INIZCTEOSA-N 313.832 4.738 30 20 DJED Cc1c(Cl)cnc(N[C@H](c2ccccc2)C2CCC2)c1C#N 1651498688 RACAQOBKNYNILE-QGZVFWFLSA-N 311.816 4.868 30 20 DJED CSc1ccccc1[C@@H](C)Nc1ncc(Cl)c(C)c1C#N 1651784449 FCMGEAGGLNIOAQ-LLVKDONJSA-N 317.845 4.810 30 20 DJED N#Cc1nc(NC2(Cc3cccc(Cl)c3)CC2)sc1Cl 1651854742 BLFRPWVDIPKZNR-UHFFFAOYSA-N 324.236 4.509 30 20 DJED C=C(Cl)CNC1(c2ccc(C(F)(F)F)cc2)CCCC1 1653255135 WKDBJFHAVLWGGG-UHFFFAOYSA-N 303.755 4.817 30 20 DJED CCN(Cc1cc(Cl)ccc1OCC#N)c1cccc(C)c1 1653602641 YWIDZMRMCNVTGR-UHFFFAOYSA-N 314.816 4.577 30 20 DJED COc1ccc(Cl)cc1CSc1ccc(C#N)c(C)c1 1656666930 MGNMUJSAZSAMMP-UHFFFAOYSA-N 303.814 4.821 30 20 DJED CCCCN(Cc1ccccc1F)Cc1cccc(F)c1C#N 1657319953 PSRVYEJVQUIUJS-UHFFFAOYSA-N 314.379 4.639 30 20 DJED CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C[C@H](C)C#N 1657478477 ZVOOMRYZIVJNFX-OAHLLOKOSA-N 312.844 4.989 30 20 DJED C[C@@H](CC(C)(C)c1ccccc1)NCc1ccc(C#N)cc1F 1661205246 ZFBUDXAWBGEEGH-HNNXBMFYSA-N 310.416 4.543 30 20 DJED CCOC(=O)Nc1ccc(NC2CCC(CC)CC2)cc1C#N 1664262396 NINMOEVRACGKFI-UHFFFAOYSA-N 315.417 4.507 30 20 DJED C=C(CNC(=O)N1CCC[C@@H]1c1cccc(C)c1)c1ccccc1 1682940667 GTGFVOJWUKJMSF-HXUWFJFHSA-N 320.436 4.555 30 20 DJED O=C(O)c1ccc(NN=C2CCCCC[C@@H]2c2ccccc2)cc1 1776013787 QEHJBGFAACJXLX-GOSISDBHSA-N 322.408 4.901 30 20 DJED N#CCSc1ccccc1C(=O)Nc1ccc2ccccc2c1 29486708 JIJATJWNKWWXJK-UHFFFAOYSA-N 318.401 4.708 30 20 DJED C=C(C)CN(CC)Cc1csc(-c2ccc(OCC)cc2)n1 57847793 BLEDWFNTOFJDGZ-UHFFFAOYSA-N 316.470 4.607 30 20 DJED C[C@H](c1ccccc1Cl)N(Cc1cccc(C#N)c1)C1CC1 59334039 UAGXDRFWVSWGDV-CQSZACIVSA-N 310.828 4.937 30 20 DJED CCCn1nc(C)c(/C=C/C(=O)c2coc3ccccc23)c1C 159037929 LKFABHQOAYKZQT-MDZDMXLPSA-N 308.381 4.552 30 20 DJED Cc1cc(C#N)ccc1CSc1ccccc1Br 165996460 PIKYRXTYPKKUMH-UHFFFAOYSA-N 318.239 4.922 30 20 DJED CC(C)c1cnc(CN(Cc2ccc(C#N)cc2)C(C)C)s1 182992098 LXLKSSKEDXWWQR-UHFFFAOYSA-N 313.470 4.549 30 20 DJED N#CCCCSCCCOc1cccc(C(F)(F)F)c1 190926625 ISOITCMOYWLESS-UHFFFAOYSA-N 303.349 4.511 30 20 DJED CC[C@H]1CCCC[C@@H]1Nc1ccc(C#N)c(Br)c1 228180727 UVFSAROECZDMMT-NHYWBVRUSA-N 307.235 4.701 30 20 DJED N#Cc1cc(N2CCC[C@H]2c2cccs2)ccc1C(F)(F)F 302177268 PANMHVYSFUSLOO-AWEZNQCLSA-N 322.355 4.980 30 20 DJED N#CC1(/C(O)=N/[C@H]2C[C@H](c3ccc(F)cc3)C2)CCCCC1 329232578 GCUUYAIEFGHWCZ-KOMQPUFPSA-N 300.377 4.502 30 20 DJED CC1(C/C(O)=N/[C@@H]2CCC(O)=N[C@H]2C(C)(C)C)CCCCC1 329294483 SBEXPDKNXAQEQW-CZUORRHYSA-N 308.466 4.837 30 20 DJED CC(C)c1ccc(NC(=O)N(C)CC(C)(C)C#N)c(C(C)C)c1 432699831 QAQIHLUJKIBPFE-UHFFFAOYSA-N 315.461 4.947 30 20 DJED Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2cc(C#N)cs2)cc1 437705938 VKMWITQESOURFM-KDOFPFPSSA-N 324.449 4.542 30 20 DJED Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c(Oc2ccccc2)c1 442796374 VMSQJEXLQRPRDL-SJLPKXTDSA-N 306.409 4.569 30 20 DJED CC(C)(C#N)CC(=O)Nc1c(F)cc(F)cc1-c1ccccc1 447398934 VKJABMVQNGECCZ-UHFFFAOYSA-N 314.335 4.510 30 20 DJED C[C@@H](CC1CCCC1)C(=O)Nc1ccc(CC#N)cc1Cl 452650182 UZLMFYASANFWJK-LBPRGKRZSA-N 304.821 4.561 30 20 DJED N#Cc1ccc(Cl)cc1OCc1csc(-c2ccoc2)n1 474387467 HQJRUQNUBLFHAY-UHFFFAOYSA-N 316.769 4.507 30 20 DJED Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(C(C)(C)C#N)cc2)cc1 474707973 PUBVXIPAHCXZSN-MRXNPFEDSA-N 320.436 4.629 30 20 DJED C=C(C)[C@@H](NC(=O)N(C)C1CCCCC1)c1ccc(F)c(F)c1 483304680 JYKQIHLBJNJVPF-QGZVFWFLSA-N 322.399 4.556 30 20 DJED CCC(C)(C)c1ccc(NC(=O)NCC(C)(C)CCC#N)cc1 483943081 ODNCCSAPTGVDRU-UHFFFAOYSA-N 315.461 4.826 30 20 DJED Cc1cc(/C=C\c2ccc(C#N)cn2)ccc1Oc1cccnc1 487184033 HPHQUYOHBYQHAZ-DAXSKMNVSA-N 313.360 4.619 30 20 DJED N#Cc1cc(F)ccc1CSc1ncc(Cl)cc1Cl 488616903 IPVNTSUQZJNPFE-UHFFFAOYSA-N 313.184 4.691 30 20 DJED Cc1ccc(C#N)cc1NCc1ncc(-c2cccc(Cl)c2)o1 531101994 NNLPKDCTJNFPRF-UHFFFAOYSA-N 323.783 4.787 30 20 DJED CC(C)n1cc([C@@H](C)Nc2ccc(C(F)(F)F)cc2C#N)cn1 532626940 PDKSNGYTATZEAN-LLVKDONJSA-N 322.334 4.528 30 20 DJED C=CCC[C@@H](NCc1nc2ccc(F)cc2o1)c1ccccc1 539359547 NBTXDJNQMPURFO-MRXNPFEDSA-N 310.372 4.764 30 20 DJED Cc1ccccc1-c1cccc(CN2CCC(CC#N)CC2)c1 543780812 OZCHGNHXGZWAKM-UHFFFAOYSA-N 304.437 4.788 30 20 DJED N#C[C@@H]1CC[C@H](N[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)C1 576602168 XOAVVJHSYBXGSW-ZFVVBOAOSA-N 322.374 4.623 30 20 DJED N#CCCCCCC(=O)N[C@H](c1ccccc1F)C1CCCC1 588640623 YJEHKEGESMARLB-IBGZPJMESA-N 316.420 4.647 30 20 DJED Cc1cccc([C@@H](c2noc(CCCCCC#N)n2)C(C)C)c1 589156350 CNOQXLMFNKAEMB-SFHVURJKSA-N 311.429 4.792 30 20 DJED C=C(C)COc1cccc(NC(=O)c2sccc2CC)c1 589384610 VLHWWRUOJVCPMA-UHFFFAOYSA-N 301.411 4.518 30 20 DJED C=CCCN(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 606896270 DUVNXMJBGSZBML-MRXNPFEDSA-N 308.425 4.508 30 20 DJED N#Cc1ccc(F)c(CSc2ccc(Cl)cc2C#N)c1 610655102 PHGKBDPTNTXELT-UHFFFAOYSA-N 302.761 4.515 30 20 DJED CSc1ccccc1C[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 611966949 HZHJGLCNMDWZEM-CABCVRRESA-N 310.466 4.562 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(C3CC3)cc2)n1 659114470 CKIAATKQDUERSN-HNNXBMFYSA-N 310.422 4.634 30 20 DJED C=C(C)COc1cccc(NC(=S)Nc2ccc(C)cc2)c1 727284299 WGARXVJOBXZCGH-UHFFFAOYSA-N 312.438 4.759 30 20 DJED CC1(C)Cc2cc(/C=C\C(=O)c3ccc(F)c(F)c3)ccc2O1 729150948 RBBFELSDPPMEEI-CLTKARDFSA-N 314.331 4.574 30 20 DJED CC[C@@H](/N=C/c1c(O)ccc2ccccc12)c1nc(C)cs1 729641401 HCEGXTUMRSZCTJ-MWJIIQFGSA-N 310.422 4.881 30 20 DJED CCCCCCCCC(=O)N(CCC#N)c1ccc(F)cc1 732093964 LQTYFLAWTGJGBV-UHFFFAOYSA-N 304.409 4.823 30 20 DJED CCc1c(C(=O)/C=C\c2cnn(C(C)C)c2)oc2ccc(C)cc12 732713560 BZVBXMWOXUYGHZ-FPLPWBNLSA-N 322.408 4.977 30 20 DJED CCCCCCCCC(=O)N1CCO[C@@H](c2ccccc2C)C1 741725709 BJZJKPRQRMDFKU-LJQANCHMSA-N 317.473 4.646 30 20 DJED Cc1cc(C=NN[C@H](C)c2ccccc2)c(OC(F)F)cc1C 743435771 MVUVGQYOIDWHNX-CQSZACIVSA-N 318.367 4.590 30 20 DJED CC(C)Oc1ccc(/C=C\C(=O)c2cc(F)ccc2F)cc1 757473060 BULKGUUFGHMPMN-YHYXMXQVSA-N 302.320 4.648 30 20 DJED C=CCC(CC=C)C(=O)O[C@H](C)c1nc2ccc(Cl)cc2[nH]1 758521924 BGXIPHYSBHFWPA-LLVKDONJSA-N 318.804 4.589 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](F)c1ccccc1 769358281 ZGAMCZKTAUMAAJ-OAHLLOKOSA-N 323.820 4.627 30 20 DJED CN(CCC#N)c1ccc(CNc2ccc(C3CC3)cc2)cc1 771873506 WZRGQCGYNAYTHZ-UHFFFAOYSA-N 305.425 4.526 30 20 DJED Cc1cc(C(=O)/C=C/c2cscc2Br)oc1C 794712718 JZPGEGKATDNAPS-ONEGZZNKSA-N 311.200 4.617 30 20 DJED CC(/C=C\C(=O)c1cncs1)=C/c1ccccc1OC(F)F 811692124 VDYBHTDNFWPUSC-NJMVCRMVSA-N 321.348 4.587 30 20 DJED CC(/C=C\C(=O)c1ccc([N+](=O)[O-])cc1F)=C\c1ccccc1 821007223 GCDGZINIHBPLFZ-XQALPWGSSA-N 311.312 4.576 30 20 DJED Cc1ccccc1[C@@H](C)CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842942104 NBIJTWSMGBZOGS-XJKSGUPXSA-N 324.449 4.699 30 20 DJED CCCCCCCCCC(=O)N1CCC(c2ncco2)CC1 862110319 IHYRSPFCOKYIBU-UHFFFAOYSA-N 306.450 4.521 30 20 DJED CC(C)(C)CC(=NNc1nncc2ccccc12)c1ccccc1 915937815 MSNMEBYHCBPDPY-UHFFFAOYSA-N 318.424 4.882 30 20 DJED CCCCc1oc2ccccc2c1C=NNc1nc(C)cc(C)n1 917209040 KGZSVUFVWBKXAL-UHFFFAOYSA-N 322.412 4.628 30 20 DJED C[C@H](OC(=O)/C=C/c1ccccc1C#N)c1cccc(Cl)c1 918768068 NYWMXGDBURKRJH-LXKVQUBZSA-N 311.768 4.529 30 20 DJED COc1cccc(O)c1/C=N\[C@@H](C)c1ccccc1C(F)(F)F 920178005 NOAAZFINUZOCLV-GVHCZZSVSA-N 323.314 4.600 30 20 DJED CC(C)c1nccn1Cc1cccc(N[C@H](C)CC(C)(C)C#N)c1 925764429 YSTVQEVJTOSPEO-MRXNPFEDSA-N 324.472 4.795 30 20 DJED N#Cc1cc(CN2CCC[C@H]2c2cccc(Cl)c2)ccc1F 1205496779 RHDZOTYDCVHLJY-SFHVURJKSA-N 314.791 4.688 30 20 DJED CC(C)Cc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1 1307606770 PYTUESLSJPEVNP-UHFFFAOYSA-N 318.464 4.921 30 20 DJED C[C@@H](CCC#N)CNCc1cccc(Oc2ccccc2F)c1 1308848374 RDYNKGHZUBDTGW-HNNXBMFYSA-N 312.388 4.647 30 20 DJED C[C@@H](Cc1ccccc1Cl)c1nnc(-c2cccc(C#N)c2)o1 1326524211 SXHVVUBRGUOJND-LBPRGKRZSA-N 323.783 4.608 30 20 DJED CCCCc1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1 1361169129 WPXTYMNOEXYCRG-HNNXBMFYSA-N 307.393 4.819 30 20 DJED CCC(C#N)(CC)C(=O)N(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 1435443586 NRFUJKILOIWVOI-KBPBESRZSA-N 320.864 4.620 30 20 DJED CCC[C@@H](CC1CCCC1)C(=O)Nc1cc(C#N)ccc1NC 1448353081 GZFXOZMXYDPMHH-INIZCTEOSA-N 313.445 4.535 30 20 DJED CCN(CCCC(C)(C)C#N)c1cccc(Br)c1 1473268293 JZHOZQZPVHNYKU-UHFFFAOYSA-N 309.251 4.605 30 20 DJED Cc1ccc([C@H]2[C@@H](C)CCCN2Cc2cccc(C#N)c2)cc1 1559559464 RWGAEBLDRWOKAV-LAUBAEHRSA-N 304.437 4.840 30 20 DJED Cc1csc(NC(=O)CC(C)(C)C2CCCCC2)c1C#N 1587029261 KYTXWTYRIQZHLU-UHFFFAOYSA-N 304.459 4.863 30 20 DJED COc1ccc(C#N)cc1CS[C@@H](C)c1ccccc1F 1640883826 PTPZIGDRYBTKJJ-LBPRGKRZSA-N 301.386 4.700 30 20 DJED CCC(CC)(CC)S[C@H](C)C(=O)Nc1cccc(C#N)c1 1643847665 WMGBRERAQIIGID-CYBMUJFWSA-N 304.459 4.587 30 20 DJED Cc1ccc(C)c([C@H]2CCCN2Cc2cccc(F)c2C#N)c1 1651849034 UXEBAPMMYZNBFZ-HXUWFJFHSA-N 308.400 4.651 30 20 DJED Cc1cc(C#N)ccc1CN(CC[C@@H]1C[C@H]2CC[C@H]1C2)C1CC1 1653191462 ZTYSSEFQNKJHJV-YTQUADARSA-N 308.469 4.657 30 20 DJED CC[C@H](CC#N)NC/C=C\c1ccc(OCc2ccccc2)cc1 1658140933 KMPHCNCGOYSXSU-QKWWCAPFSA-N 320.436 4.561 30 20 DJED Cc1cc(CN2CCC(=Cc3cccc(F)c3)CC2)ccc1C#N 1659688503 QCLSVYVPPKBNPA-UHFFFAOYSA-N 320.411 4.685 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 1660053714 PUPSNUXMJVNILO-ZJSJBZJDSA-N 308.469 4.884 30 20 DJED Cc1ccc([C@H]2CCCCCN2Cc2ccc(C#N)c(C)c2)o1 1663708514 CLGXIRKWWYPPDD-LJQANCHMSA-N 308.425 4.885 30 20 DJED N#Cc1cc(F)cc(NC(=O)Nc2cccc3ccsc23)c1 1664072077 KWYWYMAEUDMYQP-UHFFFAOYSA-N 311.341 4.556 30 20 DJED C=CCN(CC=C)C(=S)Nc1ccc(Oc2ccccc2)cc1 16215304 XDXMONGSFMIAGP-UHFFFAOYSA-N 324.449 4.850 30 20 DJED C=CCN(C(=O)C1CCCC1)c1nc(-c2ccccc2)cs1 57329437 HGJXDJOISFHKCE-UHFFFAOYSA-N 312.438 4.519 30 20 DJED CCN(C(=O)c1cc(C)c(C)s1)c1ccc(C#N)c(Cl)c1 156581043 LQQBHRVKOFSJMX-UHFFFAOYSA-N 318.829 4.557 30 20 DJED N#Cc1ccc(CNc2ccc(CCC(F)(F)F)cc2)c(F)c1 176958031 CANZOTCKSJJVBS-UHFFFAOYSA-N 322.305 4.804 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)C(C)(C)c2ccccc2F)cc1 195268082 KRGMZQKAHTVGBG-UHFFFAOYSA-N 324.399 4.543 30 20 DJED C=C(C)CN(CC)C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 195647318 NXXOQEGPHUKPOO-ZDUSSCGKSA-N 313.363 4.624 30 20 DJED C#Cc1cccc(NCc2csc(-c3ccc(F)cc3)n2)c1 237699587 BXKXDXSSRMUJHQ-UHFFFAOYSA-N 308.381 4.543 30 20 DJED CC(C)(C)[C@@H]1CCC[C@H](Nc2cccc(OCC#N)c2)CC1 315884602 LJLGKRUBACAWQN-CVEARBPZSA-N 300.446 4.996 30 20 DJED Cc1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 424573641 ISWBISLBMVSJND-RTBURBONSA-N 318.420 4.538 30 20 DJED C=C[C@](C)(CC)c1nc(-c2ccc(Oc3ccccc3)nc2)no1 443098211 WZEMXUNIBJVRPE-LJQANCHMSA-N 321.380 4.778 30 20 DJED N#CCc1cccc(NCc2cccc(OC3CCCC3)c2)c1 449691179 USMOOJXFOBWNLY-UHFFFAOYSA-N 306.409 4.686 30 20 DJED C=CCCO[C@H](C)c1nc(-c2cccc(C(C)(F)F)c2)no1 453339697 BPSFUSKVQIQGCZ-LLVKDONJSA-N 308.328 4.502 30 20 DJED CCCC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(OC)cc1 463280640 FEXQGEMZOZUAEP-WDYCEAGBSA-N 300.446 4.598 30 20 DJED C=CCSCCNC(=O)Nc1c(CCC)cccc1C(C)C 471881843 FSYADXCLLYVQMQ-UHFFFAOYSA-N 320.502 4.803 30 20 DJED C=CCOc1ccc(CNCc2cccc(Cl)c2)cc1Cl 518248164 FXBKNYGYSUWVRH-UHFFFAOYSA-N 322.235 4.848 30 20 DJED C[C@@H](CNCc1ccc(C#N)cc1)c1c(Cl)cccc1Cl 518782346 UQCCWMFMDJTVSE-LBPRGKRZSA-N 319.235 4.758 30 20 DJED N#Cc1ccc(SCc2sccc2Br)cc1 518790293 CHPBTRUVUUMTOP-UHFFFAOYSA-N 310.241 4.675 30 20 DJED C=CC[C@@H](C)NC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl 522639569 RJWYVSCWDUKBOY-ZJUUUORDSA-N 318.269 4.555 30 20 DJED C=C[C@@H](CC(=O)N(Cc1cccc(F)c1)C1CC1)c1ccccc1 534606281 MPRQDUGGMMMEEY-KRWDZBQOSA-N 323.411 4.677 30 20 DJED C[C@@H](NCc1cccc(Cl)c1Cl)c1ccc(C#N)c(F)c1 537405873 AQGGUDQVLSYMBC-SNVBAGLBSA-N 323.198 4.855 30 20 DJED CC(C)(C)c1nc2cc(NCc3ccc(C#N)s3)ccc2o1 540553694 GGLJRMSBCCFORI-UHFFFAOYSA-N 311.410 4.671 30 20 DJED CCC(CC)CN(CCC#N)Cc1ncc(Cl)cc1Cl 540819065 CCCVQXNYHMFCGN-UHFFFAOYSA-N 314.260 4.540 30 20 DJED C=CCN(C(=O)c1ccc(SC2CC2)cc1)c1ccccc1 543044433 LQVPKSYBWAZLRU-UHFFFAOYSA-N 309.434 4.774 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1ccc(N2CCCCCC2)cc1C 552961412 CBXZDXSKWKRWRM-HXUWFJFHSA-N 314.473 4.916 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 565561238 MGUXUGCEYYBAPO-IXDOHACOSA-N 304.478 4.524 30 20 DJED CSc1ccc2c(c1)[C@@H](NCC(C)(C)CCC#N)CCC2 567869914 MKLUKDGGWKPRBE-KRWDZBQOSA-N 302.487 4.705 30 20 DJED CCc1cc(C#N)c(NC(=O)[C@H](C)c2ccc(Cl)cc2)s1 593036857 IUTXZOXCINILJX-SNVBAGLBSA-N 318.829 4.578 30 20 DJED C=CCCCCCN(C)C(=O)N[C@@H](c1cccs1)C1CC1 606968392 UFLRLFUIHKNGEW-MRXNPFEDSA-N 306.475 4.587 30 20 DJED Cc1cc(CNc2ccc(COC(C)(C)C)cc2)ccc1C#N 618194477 SCUDAWHFLMFLLF-UHFFFAOYSA-N 308.425 4.794 30 20 DJED N#C[C@H]1CCC[C@@H](NC(Cc2ccccc2)Cc2ccccc2)C1 618570463 DGGRDFNTEKJOOR-LEWJYISDSA-N 318.464 4.512 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 675150659 PPXXGYMHOOVLGD-UHFFFAOYSA-N 310.397 4.665 30 20 DJED C#CCCCCC(=O)Nc1ccc(OCc2ccccc2)cc1C 692857511 BOFQMPQYKNLKGR-UHFFFAOYSA-N 321.420 4.706 30 20 DJED Cc1cc(OCc2cccc(Cl)c2)ccc1N[C@@H](C)C#N 728067116 YCDGSGITHDTDKM-ZDUSSCGKSA-N 300.789 4.551 30 20 DJED CCc1oc2ccccc2c1C=NNc1ccc2ccccc2n1 730541295 NFHADZNZBLHBBX-UHFFFAOYSA-N 315.376 4.989 30 20 DJED Cc1cccc(C(=O)/C=C\c2ccc(Cl)c([N+](=O)[O-])c2)c1C 734305372 SACKTDJKXHYRMW-CLFYSBASSA-N 315.756 4.761 30 20 DJED CCCCCCCCC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 739632904 ZFSADSIYMMDLPL-SFHVURJKSA-N 319.445 4.543 30 20 DJED CCCCCCCCNC1(c2ccc(OC)cc2)CCOCC1 740877380 DTRFFLBKIBOVSC-UHFFFAOYSA-N 319.489 4.651 30 20 DJED Cc1cccc([C@H]2CCCN2Cc2ccc(OCC#N)cc2)c1C 741795597 ZPVNXQYTECFKGH-OAQYLSRUSA-N 320.436 4.543 30 20 DJED N#Cc1csc(/C=C2\CSc3ccc(Cl)cc3C2=O)c1 748441291 WWCLTKUZVBLFBB-ONNFQVAWSA-N 317.822 4.645 30 20 DJED C#Cc1cccc(NCc2csc(CCc3ccccc3)n2)c1 754847861 YWNPEFZTGAXRLN-UHFFFAOYSA-N 318.445 4.522 30 20 DJED C[C@@H](CCC(C)(C)C)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 755582571 FPMDRGHODDPQME-HOCLYGCPSA-N 308.425 4.873 30 20 DJED O=C1/C(=C/c2ccc(C(F)(F)F)s2)Cc2ccc(F)cc21 761480228 QEYXGYCPMCMYOU-RMKNXTFCSA-N 312.287 4.728 30 20 DJED C=CC[C@H](N[C@@H]1C[C@H](C)Sc2sccc21)c1ccncc1 766017841 FBCMXDIEAYOQNS-VBNZEHGJSA-N 316.495 4.976 30 20 DJED Cc1cc(CNc2ccc(OC(F)F)c(Cl)c2)ccc1C#N 767679537 BDSSOJRBMVJLDM-UHFFFAOYSA-N 322.742 4.734 30 20 DJED CC(CCCC(F)(F)F)=NNc1ccc([N+](=O)[O-])cc1Cl 774385119 LALFQORXPJNMJK-UHFFFAOYSA-N 323.702 4.769 30 20 DJED CSc1ccc(Cl)c(C(=O)OCCCC(C)(C)C#N)c1 782032047 XDJIFVWAMGAYSJ-UHFFFAOYSA-N 311.834 4.549 30 20 DJED O=C(/C=C\c1cscc1C(F)(F)F)c1ccnc(Cl)c1 811695026 ZOZDIKPQAUVWNK-UPHRSURJSA-N 317.719 4.711 30 20 DJED Clc1cccc([C@H]2CCC(=NNc3ccc(Cl)nn3)C2)c1 841603220 FYCWRVRHFKLXGM-NSHDSACASA-N 321.211 4.519 30 20 DJED CC(C)Oc1ccc(C(=O)/C=C/c2ccc(F)c(F)c2)cc1 916131186 QKGJGARJSZOLEV-ONNFQVAWSA-N 302.320 4.648 30 20 DJED O=C(/C=C/c1cc(Br)ccc1F)c1cccc(F)c1 916134479 MLKUBQQSWRNZIP-QPJJXVBHSA-N 323.136 4.623 30 20 DJED Clc1ccccc1NN=Cc1ccccc1Br 916262824 PMGFDAQNCRRLRU-UHFFFAOYSA-N 309.594 4.549 30 20 DJED CCCCCCCCC(=O)NCc1cc(-c2ccccc2)no1 917131438 PRERKYSBDANDEV-UHFFFAOYSA-N 314.429 4.708 30 20 DJED C[C@@H]1CCCC[C@@H]1CC(=O)[C@@H](C#N)c1ccc2ccccc2n1 920788333 GPSAGOLGRVWMLL-OIISXLGYSA-N 306.409 4.627 30 20 DJED CC[C@@H](C)c1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1 1124283656 SZIDYABNBFUCCL-GFCCVEGCSA-N 324.449 4.874 30 20 DJED Cc1cc(Oc2ccc(Sc3ccncc3)cc2)c(C#N)cn1 1162320579 JBALNOPLJHNEST-UHFFFAOYSA-N 319.389 4.600 30 20 DJED Cc1ccc([C@@H]2CCN([C@@H](C)c3cccc(C#N)c3)C2)c(C)c1 1194073987 NWBWYQPRIUDBRJ-FXAWDEMLSA-N 304.437 4.726 30 20 DJED C[C@H](CC(C)(C)C#N)NCC1(c2cccc(F)c2F)CCCC1 1205408959 FQUPKVQIVHGCFU-CQSZACIVSA-N 320.427 4.695 30 20 DJED C[C@@H](CC(C)(C)c1ccccc1)Nc1ccc(Cl)c(C#N)n1 1306946244 JMFWQCJORGJXLF-ZDUSSCGKSA-N 313.832 4.775 30 20 DJED Cc1ccc([C@H]2C[C@@H](C)N(Cc3ccc(C#N)c(C)c3)C2)cc1 1308723155 FJPDNCLXIBDKEF-UTKZUKDTSA-N 304.437 4.553 30 20 DJED N#Cc1ccc(C(=O)O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1Cl 1350150439 WHPBHEGZUXHSLR-WOSRLPQWSA-N 317.816 4.727 30 20 DJED N#Cc1ccc(CNC[C@H]2CCCC[C@H]2c2ccccc2)cc1 1461510418 FSDGNGPFILPBTP-RTWAWAEBSA-N 304.437 4.622 30 20 DJED C[C@@H](Cc1ccc2c(c1)CCCC2)Nc1cccc(OCC#N)c1 1462071889 SPZYUPJUADCWPI-INIZCTEOSA-N 320.436 4.511 30 20 DJED Cc1ccc(C#N)c(Nc2ccc(Oc3cccc(F)c3)cc2)n1 1472664003 MCXWYCKRBSPDCT-UHFFFAOYSA-N 319.339 4.937 30 20 DJED CCS[C@@H]1CCC[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)C1 1472716231 GYVXPFVAENLJKN-HUUCEWRRSA-N 317.502 4.727 30 20 DJED Cc1ccc([C@H]2CCC[C@H]2N(C)Cc2ccc(C#N)c(C)c2)cc1 1474313420 XXNUUXXFLNVQMV-FGZHOGPDSA-N 318.464 4.943 30 20 DJED Cc1cccc(-c2cccc(C(=O)O[C@@H]3CCC[C@H](C#N)C3)c2)c1 1535478466 DLVZJMQYVCYXGV-OXJNMPFZSA-N 319.404 4.901 30 20 DJED C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3ccc(C#N)cc3F)c21 1535699776 SZQXNMOEIRIBFZ-GFCCVEGCSA-N 322.383 4.734 30 20 DJED CC(C)(C)c1ccc(C#N)c(N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)n1 1611944770 CQJJLOSMWGPBRE-PTSWNOGYSA-N 311.473 4.877 30 20 DJED N#Cc1ccc(Br)c(CSC2CCCCC2)c1 1613317842 ZRUZWFSBUQHDFI-UHFFFAOYSA-N 310.260 4.887 30 20 DJED N#CCc1ccc(CN2C[C@H]3CCCC[C@]32c2ccccc2)cc1 1615910182 LVMZHJRQROUJKE-YADHBBJMSA-N 316.448 4.654 30 20 DJED Cc1ccc(CNc2cc(C)c(C#N)cn2)c(OCCC(C)C)c1 1639596771 OSBATXHGUNCPKI-UHFFFAOYSA-N 323.440 4.607 30 20 DJED C[C@]1(CCc2ccccc2)CCN([C@H](C#N)c2ccccc2)C1 1641971543 USQVRCIMYOJZIH-RTWAWAEBSA-N 304.437 4.596 30 20 DJED C[C@H](NCCC1(C#N)CCCCC1)c1ccc(OC(F)F)cc1 1653082667 WGLGKXILGIQPAZ-AWEZNQCLSA-N 322.399 4.803 30 20 DJED CC(C)c1ccc2c(c1)[C@@H](Nc1c(C#N)cccc1C#N)CC2 1655398854 JYABOKLATRZQII-IBGZPJMESA-N 301.393 4.653 30 20 DJED C=C[C@@H](CC(=O)N(C)c1cc(Cl)ccc1C#N)c1ccccc1 90000533 JVEWITWDTKJHJG-AWEZNQCLSA-N 324.811 4.534 30 20 DJED C[C@H](N[C@H](CCC#N)c1ccccc1)c1cnc2ccsc2c1 90665111 WJCDIJVDPNOMOM-WMLDXEAASA-N 321.449 4.992 30 20 DJED C=CCC[C@@H](NC(=O)Nc1ccc2c(c1)COC2)c1ccccc1 92149680 ZIDKJMZHCXNPBV-LJQANCHMSA-N 322.408 4.546 30 20 DJED Cc1ccnc(N[C@H](C)c2ccc(Cl)cc2Cl)c1C#N 135060680 SQQPBJCBKZWGBK-SNVBAGLBSA-N 306.196 4.742 30 20 DJED CC(C)(C#N)CCCN(Cc1ccco1)Cc1cccs1 174811085 HYCZSJFONLNOJA-UHFFFAOYSA-N 302.443 4.673 30 20 DJED C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1nc(-c2ccccc2)cs1 185817773 NVALAVZKTPXKLY-DZKIICNBSA-N 311.454 4.543 30 20 DJED C[C@@H](SCc1csc(C2CC2)n1)c1cccc(C#N)c1 190819429 WKJSXIVAINAMAX-LLVKDONJSA-N 300.452 4.887 30 20 DJED C[C@@H](N[C@@H]1CCSc2ccc(F)cc21)c1cccc(C#N)c1 192982160 CUAQPWMYILKHML-SJKOYZFVSA-N 312.413 4.585 30 20 DJED Cc1cc([C@@H](C)N[C@H](C)c2ccc(OCC#N)cc2)c(C)s1 193016914 ZWRRMMJWIUXTDD-ZIAGYGMSSA-N 314.454 4.679 30 20 DJED N=C(O)C1(C/N=C(/O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCCC1 328789116 PRNRDJYOQQHVDC-SOUVJXGZSA-N 306.450 4.645 30 20 DJED N#CCSCCCN[C@@H](CC1CCCC1)c1ccccc1 342223793 NWYQLPHXBKROPA-SFHVURJKSA-N 302.487 4.544 30 20 DJED C[C@H](Cc1ccc(Cl)cc1)N[C@@H](CCC#N)c1ccccc1 359307252 UILHDBDPRAJIOA-BEFAXECRSA-N 312.844 4.906 30 20 DJED C=CCC[C@@H](NCc1ncoc1-c1ccccc1)c1ccco1 367601996 QWYSOMLBKIPGQV-MRXNPFEDSA-N 308.381 4.732 30 20 DJED C[C@@H](CCC#N)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 411510442 YNHFHSUHEDOCHD-JKSUJKDBSA-N 303.409 4.568 30 20 DJED CCSc1cccc(CN[C@@H](CC)c2ccc(C#N)cc2)c1 426348769 BZOVUXNMWVJWBV-IBGZPJMESA-N 310.466 4.911 30 20 DJED Cc1c(C#N)cccc1NC(=O)Nc1ccc(OC(C)(C)C)cc1 432263113 FMDCYSVBJLIBHZ-UHFFFAOYSA-N 323.396 4.688 30 20 DJED C=C(C)CN(CC)C(=O)Nc1cc(-c2ccc(C)o2)ccc1C 432976470 ZUJPNPKSHFVPOB-UHFFFAOYSA-N 312.413 4.993 30 20 DJED CCCN(C(=O)c1cc(C#N)cs1)[C@@H](CC)c1ccccc1 437675839 INJZRQZPKQXNBE-INIZCTEOSA-N 312.438 4.623 30 20 DJED C=CCOc1cccc(CN[C@@H](C)c2ccccc2SC)c1 441346468 JZUJMLIIBIEBPS-HNNXBMFYSA-N 313.466 4.824 30 20 DJED C=CCCCCNC(=O)Nc1ccccc1COc1ccccc1 473657159 DJUAMQXHKSCMHZ-UHFFFAOYSA-N 324.424 4.743 30 20 DJED Cc1ccc(CCNc2ccccc2SC[C@@H](C)C#N)cc1 486193779 COYSZHWRXNEJPC-INIZCTEOSA-N 310.466 4.901 30 20 DJED C=CCCC(=O)N[C@H](c1cccc2ccccc12)C(F)(F)F 511687249 CQOJDLAMUUPLBM-MRXNPFEDSA-N 307.315 4.526 30 20 DJED C=CCN(Cc1ccccc1)C(=O)NCc1ccc(C(C)C)cc1 517737146 LCZDHCLIUZLWFJ-UHFFFAOYSA-N 322.452 4.708 30 20 DJED CCC[C@@H](C#N)NC(=O)c1ccc(Sc2ccccc2C)cc1 532983303 YFYJRGYFASQBBT-INIZCTEOSA-N 324.449 4.568 30 20 DJED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cc2c(s1)CCCC2 551805736 YFPAKODCOJCPCL-AWEZNQCLSA-N 322.477 4.838 30 20 DJED CC(C)(CCC#N)CNc1ccnc2cc(C(F)(F)F)ccc12 568553894 BAGNUINIZMEWFB-UHFFFAOYSA-N 321.346 4.995 30 20 DJED C[C@@H](N[C@H]1CCc2sc(Cl)cc21)c1cccc(C#N)c1 569630222 WFNPYEJSOJSHPS-YGRLFVJLSA-N 302.830 4.611 30 20 DJED Cc1ccc(C#N)c(Oc2ccc(Cl)c(C(F)(F)F)c2)n1 572745609 DQMHOIVARYHHRG-UHFFFAOYSA-N 312.678 4.726 30 20 DJED N#CCCCCCC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 588371136 IAOSHELHRUMWFO-IBGZPJMESA-N 316.420 4.647 30 20 DJED CC(C)(C#N)c1ccccc1CNC1(c2ccccc2Cl)CC1 592138544 ZZEUCEKAVONWLJ-UHFFFAOYSA-N 324.855 4.920 30 20 DJED Cc1ccc2c(Cl)c(C(=O)N[C@H](C#N)CC(C)C)sc2c1 609170221 LRAYNRKSKIWLTN-NSHDSACASA-N 320.845 4.531 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1cccc(-c2cnco2)c1 668626161 SIVOFXXTEBFNJG-UHFFFAOYSA-N 324.424 4.550 30 20 DJED N#C[C@H](C(=O)c1ccc(Cl)c(F)c1)c1ccc2ccccc2n1 677975971 UUHUSWKJDLCUDP-ZDUSSCGKSA-N 324.742 4.517 30 20 DJED COc1ccc2oc(C(=O)/C=C\c3cccc(C#N)c3)c(C)c2c1 729148836 BKIKLLBJIQQDSD-VURMDHGXSA-N 317.344 4.518 30 20 DJED Oc1ccccc1C=Nc1ccc(C(F)(F)C(F)(F)F)cc1 729819572 NDHYFWZPFXHDHA-UHFFFAOYSA-N 315.241 4.797 30 20 DJED CCCCCCCC(=O)Nc1ccc2nn(C(C)C)cc2c1 735801944 UNIBCAUZIUVRCG-UHFFFAOYSA-N 301.434 4.916 30 20 DJED CC(=NOCc1cccnc1)c1cc2c(ccc3ccccc32)o1 746588667 QXHVJIOMNFVUAL-UHFFFAOYSA-N 316.360 4.922 30 20 DJED C[C@@H]1Sc2sccc2C(=O)/C1=C\c1ccc(Cl)nc1 749006632 ZFLAXBVNYOHVAJ-OITNDJBGSA-N 307.827 4.557 30 20 DJED O=C(/C=C\c1csc(Cl)c1Cl)c1ccc(Cl)nc1 761479429 KGXSXMSBAFIGDV-IWQZZHSRSA-N 318.612 4.999 30 20 DJED CC1(C)C(=NNc2cnnc3ccccc23)C[C@H]1c1ccccc1 768486116 XPPJQVWMHIGNDD-INIZCTEOSA-N 316.408 4.611 30 20 DJED CC(C)[C@@H](C(=O)OCCCCC(C)(C)C#N)c1ccccc1 768736759 ALJSKBPIVSUQIK-QGZVFWFLSA-N 301.430 4.689 30 20 DJED CC(C)(C#N)CCN1CCC[C@H]1c1ccccc1C(F)(F)F 776581159 FRSOOQXFZWKKLX-HNNXBMFYSA-N 310.363 4.782 30 20 DJED CC(=NOC1CCCCC1)c1nc2ccccc2n1C(F)F 777459413 QCLZBRJCCLLAPV-UHFFFAOYSA-N 307.344 4.505 30 20 DJED O=C1/C(=C\c2scnc2C2CC2)[C@H]2CCCc3cccc1c32 782351278 JEEKCIYQDAOFBJ-MLJKTZRHSA-N 307.418 4.720 30 20 DJED Cc1c(C(=O)/C=C/C=C/c2ccc(F)cc2)cnn1C(C)(C)C 787185803 BKBWEBLWUKWPJD-KQQUZDAGSA-N 312.388 4.538 30 20 DJED CCCCCCCCS(=O)(=O)[C@@H](C)c1ccccc1F 790143149 AUODJFGSDWCPIJ-AWEZNQCLSA-N 300.439 4.662 30 20 DJED COc1ccc(/C=C/C(=O)c2coc3ccccc23)c(C)c1OC 806573743 REUOKMGXZVFQOT-CSKARUKUSA-N 322.360 4.655 30 20 DJED Cc1ccc(-c2n[nH]cc2/C=C/C(=O)c2cc(F)ccc2F)cc1 810231703 KYTFPZFMLLWWIZ-RMKNXTFCSA-N 324.330 4.559 30 20 DJED C=CCC(C)(C)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 815426847 ASJFBLWYNMXDHN-UHFFFAOYSA-N 318.417 4.574 30 20 DJED COc1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)c(Cl)c1 818333407 VUFDLTLIQOEVQH-OLZOCXBDSA-N 314.816 4.632 30 20 DJED CC(C)c1ccc(N2Cc3ccc(NCCC#N)cc3C2)cc1 819466427 SUUODDKMWFDHFF-UHFFFAOYSA-N 305.425 4.656 30 20 DJED C#CCCOc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1 826824687 HATWEKIOJICXEM-UHFFFAOYSA-N 321.420 4.773 30 20 DJED CC(C)[C@H](C#N)c1ccc(-c2cnn([C@H]3CCCCO3)c2)cc1 854209144 FIAVZSWVMCGAGW-RBUKOAKNSA-N 309.413 4.512 30 20 DJED Fc1ccc(C=NNc2nc(-c3ccccc3)cs2)c(F)c1 916545477 KHBRPDDNQBRMOU-UHFFFAOYSA-N 315.348 4.534 30 20 DJED COc1cccc(/C=N/[C@H](C)c2ccccc2C(F)(F)F)c1O 920177871 LYSBJGURIJSFMM-OHBSIKEHSA-N 323.314 4.600 30 20 DJED CCc1ccc(C(=O)/C=C/c2ncc(-c3ccccc3)[nH]2)s1 1116803759 FCRFSWUFZYLZOY-PKNBQFBNSA-N 308.406 4.597 30 20 DJED Cc1cc(-c2ccccc2)ccc1NC(=O)c1ccsc1C#N 1124981015 UFTLIYLBEQAESB-UHFFFAOYSA-N 318.401 4.848 30 20 DJED N#Cc1cc(CN2CCC[C@H]2c2ccccc2Cl)ccc1F 1205478960 KPPMLOUBVCGVGB-SFHVURJKSA-N 314.791 4.688 30 20 DJED CCC[C@H](Cc1ccccc1)N[C@H]1CCc2cc(C#N)ccc21 1205650917 WVKGJXWJKRHBHQ-CTNGQTDRSA-N 304.437 4.547 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)c1ccccc1Cl 1275726335 LEXJIXPYFMVUJY-UHFFFAOYSA-N 306.752 4.617 30 20 DJED CC[C@@H](C)CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 1359976771 CUHNVTQNWDKUJN-CQSZACIVSA-N 308.381 4.725 30 20 DJED CC(C)(C)c1ccc(CCC(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1 1436649069 LAHILXUTDGFYFU-SJLPKXTDSA-N 313.441 4.542 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2cc(-c3ccccc3)oc2C)c1 1436713423 GNXUDPZPHPBDII-UHFFFAOYSA-N 316.360 4.687 30 20 DJED CC(C)(C)[C@@H](Nc1nc(C#N)c(Cl)s1)c1ccccc1 1458258068 CQVHNNKSWAUYCT-LBPRGKRZSA-N 305.834 4.867 30 20 DJED CCC[C@H](CC(C)C)C(=O)Nc1cc(C#N)c2ccccc2n1 1459913496 NFUPFGIAQSOTLK-CQSZACIVSA-N 309.413 4.507 30 20 DJED Cc1cc(F)ccc1C1CCN([C@H](C)c2cccc(C#N)c2)CC1 1460171875 DSFFIHRHQYMIPR-MRXNPFEDSA-N 322.427 4.946 30 20 DJED Cc1cccc(C)c1[C@H](C)OC(=O)[C@@H](C)Cc1ccc(C#N)cc1 1535740306 QDOXLUYHTJJACB-IRXDYDNUSA-N 321.420 4.658 30 20 DJED Cc1ccc(C#N)c(NCC2CCC(c3ccccc3)CC2)n1 1559101948 ZFXGAPDANXMHAH-UHFFFAOYSA-N 305.425 4.648 30 20 DJED CCCc1sc(C(=O)Nc2cc(C)cc(C#N)c2)cc1CC 1584925768 LBRCQEBZWKWDLA-UHFFFAOYSA-N 312.438 4.695 30 20 DJED CN(Cc1ccc(Cl)cc1Cl)c1cccc(F)c1C#N 1611774127 VAUDSZNPAWRERR-UHFFFAOYSA-N 309.171 4.641 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@@H]1c1cccc(C)c1C 1615607252 DPGNAYWVRDADNS-OAQYLSRUSA-N 304.437 4.821 30 20 DJED CC[C@H](C)c1ccc([C@@H](NC(=O)c2ccc(C#N)[nH]2)C(C)C)cc1 1623977077 KHIXWCUYJJGROH-LIRRHRJNSA-N 323.440 4.527 30 20 DJED N#Cc1ccccc1-c1ccc(CN2CCC(C3CC3)CC2)cc1 1643317910 OHDZRLRCIQPKJL-UHFFFAOYSA-N 316.448 4.847 30 20 DJED Cc1ccc2sc(SCc3ccc(C#N)cc3F)nc2c1 1644240317 GTXUMLUNKWYKSI-UHFFFAOYSA-N 314.410 4.908 30 20 DJED Cc1ccnc(N[C@H]2CC(C)(C)CCc3ccccc32)c1C#N 1651782262 VYRDUJOLPWAHHC-SFHVURJKSA-N 305.425 4.777 30 20 DJED CC(C)(C)C[C@@H]1CCN(c2nc(C#N)c(Cl)s2)C1(C)C 1652041512 OIINLOPUIRCQJO-JTQLQIEISA-N 311.882 4.709 30 20 DJED Cc1cc(C)c(C#N)c(SC[C@H]2CCCc3ccccc32)n1 1652395756 MPNUMQHOGSXESR-MRXNPFEDSA-N 308.450 4.782 30 20 DJED Cc1ccccc1SCc1ccc(C#N)cc1OC(F)F 1652619579 VZOIBTDOJYGHCX-UHFFFAOYSA-N 305.349 4.760 30 20 DJED C[C@H]1C[C@H](CCNc2ncc(C#N)cc2Cl)CC(C)(C)C1 1655434264 LRMPLPLMDYNXPO-STQMWFEESA-N 305.853 4.871 30 20 DJED Cc1ccc(C)c(N(Cc2ccc(OCC#N)cc2)C(C)C)c1 1657703259 RYOMYCFGBPGGAG-UHFFFAOYSA-N 308.425 4.621 30 20 DJED C[C@H](Cc1ccccc1Cl)N[C@@H]1CCCc2cc(C#N)ccc21 1659475768 QKMNCWZYPIHRAD-JLTOFOAXSA-N 324.855 4.810 30 20 DJED C=C(CNCc1ccccc1OC1CCCC1)c1ccccc1 1661311238 YWKVNJXHZDYASB-UHFFFAOYSA-N 307.437 4.811 30 20 DJED CC(CCCCc1ccccc1)=NNc1ccccc1C(=O)O 1776031778 WUPOWUDRXIHSFP-UHFFFAOYSA-N 310.397 4.586 30 20 DJED CCc1cccc(/C=C2/CCCc3cc(C(=O)O)ccc3C2=O)c1 1776974774 ILEYCQOAKMAOPL-ATVHPVEESA-N 320.388 4.550 30 20 DJED CCCc1nc(CNc2ccccc2SCCC#N)cs1 86207183 IKOCURBZPVVCNP-UHFFFAOYSA-N 317.483 4.713 30 20 DJED CC(C)(C#N)c1ccccc1CNc1ccccc1OC(F)F 131425551 OIMKZZNCVPQXAP-UHFFFAOYSA-N 316.351 4.701 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 188383878 PXORBMSTCCMHDW-IBGZPJMESA-N 316.445 4.520 30 20 DJED C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(Cl)c(Cl)c1 192147142 INMLABRGXCJSNY-SNVBAGLBSA-N 323.198 4.855 30 20 DJED CCOc1ccc([C@@H](C)Nc2cccc(OCCCC#N)c2)cc1 193905834 JJLLCNIMEYUKAE-MRXNPFEDSA-N 324.424 4.941 30 20 DJED C[C@H]1CCCCN1Cc1ccc(NCc2cccc(C#N)c2)cc1 237527784 GFEFVNZKXYFQJT-KRWDZBQOSA-N 319.452 4.545 30 20 DJED Cc1ccc([C@H](N[C@@H](C)c2ccc(OCC#N)cc2)C2CC2)cc1 271874258 NRFNSFRVIFNLIH-KKSFZXQISA-N 320.436 4.699 30 20 DJED CC(C)(C)c1cnc(Sc2ccc(Cl)c(C#N)n2)s1 301660826 UKOWWHKJOPWCPJ-UHFFFAOYSA-N 309.847 4.512 30 20 DJED N#CCC[C@H](Nc1nc(-c2ccccc2)ns1)c1ccccc1 301775623 HHSMXCNJOHQOCJ-INIZCTEOSA-N 320.421 4.662 30 20 DJED CN(Cc1ccccc1N[C@@H]1CC[C@H](C#N)C1)C1CCCCC1 442869685 JIVMASVIOTVXGL-FUHWJXTLSA-N 311.473 4.555 30 20 DJED N#C[C@@H]1CCC[C@@H](N[C@H](c2ccc(Cl)cc2)C2CCC2)C1 447560041 BZXHWBCKHQAIRQ-XWIAVFTESA-N 302.849 4.853 30 20 DJED CC(C)Oc1cccc([C@H](C)NC2CCC(C)(C#N)CC2)c1 449083807 VLLNJNAZBFJSEE-DMKPSLHHSA-N 300.446 4.597 30 20 DJED Cc1sc(NC(=O)c2cccc3ccsc23)c(C#N)c1C 464556141 RPUXIWOXSMAHLP-UHFFFAOYSA-N 312.419 4.704 30 20 DJED CC(C)(C#N)CCCOc1ccc(C(=O)c2ccccc2)cc1 476471964 MQTDLCZCKSJEQU-UHFFFAOYSA-N 307.393 4.626 30 20 DJED CCN(Cc1ccc(Cl)s1)[C@H](C)c1ccc(C#N)cc1 485152498 ZQXZYKDUSUDGBL-GFCCVEGCSA-N 304.846 4.856 30 20 DJED CC[C@](C)(C#N)C(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 504650578 PYLGCVADJXOOGP-LJQANCHMSA-N 308.381 4.666 30 20 DJED N#CCc1ccc(CN2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1 511842189 GEIAUVWGQZFKDU-YPAWHYETSA-N 316.448 4.521 30 20 DJED CCN(Cc1ccc(-c2ccccc2C#N)cc1)CC(F)(F)F 517602997 LNRWQOIZNBMRHL-UHFFFAOYSA-N 318.342 4.609 30 20 DJED C=CC[C@@H](C(=O)Nc1cccc(F)c1Cl)c1ccccc1 522033139 RXMAURQMXFZHFN-CYBMUJFWSA-N 303.764 4.778 30 20 DJED N#C[C@H](Sc1ccc(C(F)(F)F)cn1)C1CCCCC1 522331906 KLLCYMWYIVCYSH-LBPRGKRZSA-N 300.349 4.665 30 20 DJED C=C[C@H](CC(=O)Nc1ccc2c(c1)C(=O)CCC2)c1ccccc1 535375828 CBLMREDDQGYUEO-OAHLLOKOSA-N 319.404 4.504 30 20 DJED CCC(CC)n1ccc(CSCc2cccc(C#N)c2F)n1 538148506 VWZGZNKKYPTHFG-UHFFFAOYSA-N 317.433 4.688 30 20 DJED C=CCC[C@H](N[C@H]1CCSC1)c1ccc(C(F)(F)F)cc1 541555444 FCQRNQJJEOTBPY-GJZGRUSLSA-N 315.404 4.808 30 20 DJED CC[C@H](CC#N)NC(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F 547274129 KSNOPIWKTUAKPJ-QGZVFWFLSA-N 324.399 4.532 30 20 DJED C[C@@H](NCC(C)(C)CCC#N)c1ccc(OC(F)(F)F)cc1 554359575 RKHABGZCYIURCF-GFCCVEGCSA-N 314.351 4.566 30 20 DJED CC(C)c1ccc(C(=O)Nc2cc(C#N)c3ccccc3n2)s1 558249027 TXQQVHZXIHDSMC-UHFFFAOYSA-N 321.405 4.544 30 20 DJED N#CC[C@@H](CC(=O)Nc1cc(F)ccc1Cl)c1ccccc1 577001976 BUOUMZGSPRFHKR-ZDUSSCGKSA-N 316.763 4.505 30 20 DJED C=CCOc1ccccc1-c1nc([C@H](C)c2cccs2)no1 583168604 KVUNMXOOWKGTEX-GFCCVEGCSA-N 312.394 4.515 30 20 DJED N#C[C@H](c1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 595290877 FVLIDLKSJOZBAD-DLBZAZTESA-N 319.433 4.698 30 20 DJED Cc1cc(C)c(NC(=O)CC2(C#N)CCCCC2)c(Cl)c1 598799344 CGAHVLCIVBTSCL-UHFFFAOYSA-N 304.821 4.760 30 20 DJED CCN(Cc1ccc(SC)cc1)[C@@H](C)c1ccc(C#N)cc1 604271994 KPVWQZSTFRMFOG-HNNXBMFYSA-N 310.466 4.863 30 20 DJED C=CCCCS[C@@H](C)C(=O)N[C@@H](C)c1ccc(CC)cc1 609804922 WJSASXMOSDSKIM-GJZGRUSLSA-N 305.487 4.514 30 20 DJED Cc1cc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc(C)c1F 618807356 UDLGEWNUDYXHTP-AUUYWEPGSA-N 308.400 4.652 30 20 DJED COc1ccc2oc(C(=O)/C=C/c3ccccc3OC)c(C)c2c1 729151910 YDFIDCGTQUTQMS-CSKARUKUSA-N 322.360 4.655 30 20 DJED CC(=NNc1cc(C)ccc1C)c1c(Cl)nc2sccn12 741839035 ZKSVQOLVQIHWEV-UHFFFAOYSA-N 318.833 4.502 30 20 DJED CCSc1ccc(C(=O)/C=C/c2cccnc2Cl)cc1 755606299 DHZBSHJKZDQBLH-JXMROGBWSA-N 303.814 4.743 30 20 DJED CCc1cccc2c(/C=C/C(=O)c3ccc(Cl)nc3)c[nH]c12 759084843 YKRLIJWCGBQZTD-SOFGYWHQSA-N 310.784 4.675 30 20 DJED CCCCCCC[S@](=O)Cc1cccc(C(F)(F)F)c1 764437862 KZXTWSIXLOJIOD-FQEVSTJZSA-N 306.393 4.925 30 20 DJED CC(=NNc1cc(C)c2cc(Cl)ccc2n1)c1cncc(C)c1 767361695 QFQLPEYTAFORBG-UHFFFAOYSA-N 324.815 4.736 30 20 DJED COc1ccc(C)cc1C(=O)/C=C\c1ccc(Cl)nc1Cl 779358858 KRNSVQXLNXZWNK-XQRVVYSFSA-N 322.191 4.602 30 20 DJED CCC(=NNc1ccc2[nH]ncc2c1)c1c(F)cccc1Cl 779817761 SLFKREABMQAJGA-UHFFFAOYSA-N 316.767 4.582 30 20 DJED CCC(CC)(CC)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797572853 JPXUYAYSLHBHHV-GFCCVEGCSA-N 306.475 4.833 30 20 DJED COc1cc(CN[C@@H](C)c2csc3ccccc23)ccc1C#N 799337266 FENHVUANSYPHBH-ZDUSSCGKSA-N 322.433 4.632 30 20 DJED COc1ccccc1-c1ccc(/C=C\C(=O)c2cc(C)on2)cc1 806555349 CJILEYAOSCGVIN-XFXZXTDPSA-N 319.360 4.555 30 20 DJED COCc1csc(/C=C2/C(=O)c3ccsc3S[C@H]2C)c1 849246369 YKKHAEIIFILTSJ-CVSYOPMASA-N 322.476 4.717 30 20 DJED CCc1cccc2c(/C=C\C(=O)c3ccc(F)cc3F)c[nH]c12 916128303 WJBVZDOFLZYMKB-TWGQIWQCSA-N 311.331 4.905 30 20 DJED CC(=NNc1ccnc2cc(Cl)ccc12)c1ccc(C#N)cc1 916269307 FQONJHBVAZWJSQ-UHFFFAOYSA-N 320.783 4.596 30 20 DJED C=CC[C@H]1N(C(=O)Nc2ccc(C)nc2Cl)CCCC1(C)C 1123428792 CIXYPVINCVXVPG-CQSZACIVSA-N 321.852 4.642 30 20 DJED C[C@@H]1C[C@@H](CC(=O)N(CCC#N)CC(C)(C)C)CC(C)(C)C1 1125955321 KWGXVZFAKXMXFL-CVEARBPZSA-N 306.494 4.627 30 20 DJED CC(C)C[C@@H](C)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1127429233 VGOVTWZUMQLXMF-OAHLLOKOSA-N 322.408 4.515 30 20 DJED N#Cc1ccc(N[C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)nc1 1163531852 VGGFEPAJIZRECA-RDJZCZTQSA-N 311.816 4.745 30 20 DJED CN(Cc1ccc(C#N)cc1)Cc1ccc(C2CCCC2)cc1 1204721810 QBNCCDGCTGSMFS-UHFFFAOYSA-N 304.437 4.848 30 20 DJED C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCCC2)C1CCC1 1264695620 OUXIWJXQCYMLJP-GFCCVEGCSA-N 316.470 4.653 30 20 DJED CC(C)N(Cc1ccc(F)cc1C#N)[C@H](C)c1ccsc1 1307855382 SOFHERRKQXUUJO-CYBMUJFWSA-N 302.418 4.730 30 20 DJED C[C@@H](OC(=O)CC1(C#N)CCCCC1)c1cccc(Cl)c1F 1358369805 OTPHHHSYALNXDG-GFCCVEGCSA-N 323.795 4.947 30 20 DJED C=C(CNC(=O)Nc1ccc2oc(C)c(C)c2c1)c1ccccc1 1466221914 GHRJPCMYDWPLTF-UHFFFAOYSA-N 320.392 4.885 30 20 DJED C[C@@H]1CCCC[C@@H]1CSc1nc2c(cc1C#N)CCCC2 1472972272 ZLCAXXQCDKZXEM-UKRRQHHQSA-N 300.471 4.750 30 20 DJED CC(C)Cc1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1 1474125175 AHJWRMYNHHRIIM-UHFFFAOYSA-N 312.844 4.700 30 20 DJED C[C@H](OC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)c1cccc(C#N)c1 1516882228 KTCAFMXSEAZMDH-RGIVZKHGSA-N 311.425 4.769 30 20 DJED CCC[C@H](CC)C(=O)N(Cc1ccco1)c1ccccc1C#N 1532912796 YWCGYGOTRLNSPQ-HNNXBMFYSA-N 310.397 4.511 30 20 DJED Cc1cccc(C2(CNc3snc(C)c3C#N)CCCC2)c1 1559089983 FZEQSAKRFKJWDY-UHFFFAOYSA-N 311.454 4.556 30 20 DJED N#Cc1nnc2ccccc2c1Nc1cccc(C2CCC2)c1 1559201173 MDEHRNDAKYQELU-UHFFFAOYSA-N 300.365 4.513 30 20 DJED Cc1ccccc1C1(CNc2nc(C(C)(C)C)ccc2C#N)CC1 1611918547 WYFYKIBEUMNYTD-UHFFFAOYSA-N 319.452 4.703 30 20 DJED CCN(Cc1cc(Cl)ccc1OCC#N)[C@H]1CCCC[C@@H]1C 1642722240 OBPQPQKKBHEGFF-YOEHRIQHSA-N 320.864 4.643 30 20 DJED Cc1ccnc(N[C@H](c2ccc(Cl)cc2)C2CCC2)c1C#N 1650735276 NOVBVVFHEZZDKB-KRWDZBQOSA-N 311.816 4.868 30 20 DJED Cc1cc(NCC2(c3ccc(F)cc3)CCCCC2)ncc1C#N 1651427475 ZGSKEFGRKVRKNJ-UHFFFAOYSA-N 323.415 4.715 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCCC[C@@H]1c1ccccc1 1653183169 PUSFNULSBZONKS-LJQANCHMSA-N 310.828 4.939 30 20 DJED Cc1cc(S[C@H](C)C(=O)Nc2cccc(C)c2C)ccc1C#N 1656666324 CXMBTNPPBJHKOW-OAHLLOKOSA-N 324.449 4.603 30 20 DJED CCCC[C@@H](C)N(CCCC)C(=O)Nc1ccc(C#N)c(F)c1 1670704843 UULTUUBVMVYVBH-CQSZACIVSA-N 319.424 4.910 30 20 DJED Cc1ccc([C@@H](NCc2ccc(C#N)cc2)c2ccccc2)cc1 14933911 NVMHYCPJXWHNCN-QFIPXVFZSA-N 312.416 4.746 30 20 DJED CC[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccccc1OC 37253279 BNQDXYFFTCSASK-INIZCTEOSA-N 300.789 4.783 30 20 DJED CCN(Cc1ccc(Cl)s1)[C@@H](C)c1ccc(C#N)cc1 60477542 ZQXZYKDUSUDGBL-LBPRGKRZSA-N 304.846 4.856 30 20 DJED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(F)cc1F 90665884 DYBFEQBJPGHXTD-ACJLOTCBSA-N 300.352 4.660 30 20 DJED C[C@H](Sc1cccc(C#N)c1)c1nc(-c2cccs2)no1 177101904 KBKPQJDEESDJMA-JTQLQIEISA-N 313.407 4.523 30 20 DJED CC(C)(CCC#N)CN1CC=C(c2c[nH]c3ccccc23)CC1 180658136 JLQGRJIOLLOCPP-UHFFFAOYSA-N 307.441 4.587 30 20 DJED C=CCC[C@@H](C(=O)Nc1ccc(C)c(O)c1C)c1ccccc1 186507927 GMCHOVDTHAPMBV-QGZVFWFLSA-N 309.409 4.698 30 20 DJED CO[C@@H](C)c1nc(CS[C@@H](C)c2cccc(C#N)c2)cs1 190804835 IZTIDOKQZMJMMK-RYUDHWBXSA-N 318.467 4.717 30 20 DJED CCCOc1ccc(/C=C\C(=O)c2cccc(F)c2)cc1OC 206087984 QIMXMVGFKUYWCO-CLFYSBASSA-N 314.356 4.519 30 20 DJED O=C(/C=C\c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1F 208528354 JLCBZZYWWPCGCU-BAQGIRSFSA-N 312.237 4.880 30 20 DJED Cc1cccc(CSc2ccc(C#N)c(Br)c2)c1 228253873 ZAESIWHVJBMCDE-UHFFFAOYSA-N 318.239 4.922 30 20 DJED C#CC[C@@H](NCc1csc(C2CCCC2)n1)c1ccccc1 271692293 KRECYHPECULBMT-GOSISDBHSA-N 310.466 4.655 30 20 DJED C[C@H](Nc1ccc(C#N)c(Cl)c1)c1cccc(-n2cccn2)c1 301414478 DIMXDZGCXDEFQH-ZDUSSCGKSA-N 322.799 4.570 30 20 DJED N#Cc1cc(NCc2cc3ccccc3[nH]2)ccc1C(F)(F)F 302171055 MATYLZCPJATMHT-UHFFFAOYSA-N 315.298 4.670 30 20 DJED C=CCN(Cc1cccc(OC)c1)Cc1ccc(Cl)s1 302747585 RSJYQPMAPIVSLP-UHFFFAOYSA-N 307.846 4.598 30 20 DJED N#CCc1cccc(NCc2ccc(F)cc2C(F)(F)F)c1 313434599 FHBPHYSXLAPUHF-UHFFFAOYSA-N 308.278 4.523 30 20 DJED N#Cc1ccc(NC(=O)c2ccc3ccccc3c2)c(Cl)c1 389509625 ZDLDZEAWEKPWPW-UHFFFAOYSA-N 306.752 4.617 30 20 DJED CCN(Cc1cnc2ccccc2c1)[C@@H](C)c1ccc(C#N)cc1 410333564 SUSYALYXXVGNEE-INIZCTEOSA-N 315.420 4.690 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@]1(C)CC=CCC1 410460640 WWQJTRNLBHDCLW-KDOFPFPSSA-N 314.454 4.623 30 20 DJED CC[C@@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)C(C)(C)C 431924232 GMSKXDYCYQOQDV-DLBZAZTESA-N 315.461 4.545 30 20 DJED CCN(Cc1ccc(Cl)s1)[C@@H](C)c1cccc(C#N)c1 442674524 CSENBLRNQXCJIC-LBPRGKRZSA-N 304.846 4.856 30 20 DJED C=CCCCCCSc1nnc(Cc2ccc(OC)cc2)o1 447303356 DXZGVGQCNLVIGA-UHFFFAOYSA-N 318.442 4.508 30 20 DJED Cc1cccc([C@@H]2CCCCCN2CCCSCC#N)c1 466728753 WEDRWKCXTCLBBB-SFHVURJKSA-N 302.487 4.559 30 20 DJED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C(C)(C)C#N)cc1 476281614 BZYCLTGAWOPWHZ-QAPCUYQASA-N 312.457 4.529 30 20 DJED Cc1ccc([C@H](Nc2ccc(F)cc2C#N)c2ccccn2)cc1 480572175 BMEPMZRJHKTNDE-FQEVSTJZSA-N 317.367 4.602 30 20 DJED C=CCC[C@H](C(=O)Nc1cccc(COCC)c1)c1ccccc1 488339722 YROFSTYRTFBYEE-FQEVSTJZSA-N 323.436 4.912 30 20 DJED C[C@H](c1cccc(C(F)(F)F)c1)N(C)Cc1cccc(C#N)c1 507204168 QIQQHQJDTPBMAV-CYBMUJFWSA-N 318.342 4.770 30 20 DJED CC(C)(C)[C@@H](NCc1cc(C#N)ccc1F)c1cccc(F)c1 537123631 AMILUNVRGROITK-SFHVURJKSA-N 314.379 4.713 30 20 DJED C[C@@H](NCC1(c2ccc(Cl)cc2)CC1)c1ccc(C#N)cc1 537294799 GCTNKXPIYLKMRW-CQSZACIVSA-N 310.828 4.594 30 20 DJED N#CCCCCN[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 540523002 AWEVJGNZIKXHJV-GFCCVEGCSA-N 324.268 4.592 30 20 DJED C=C(C)CN(CC)C(=O)[C@H](C)S[C@H]1CCCc2ccccc21 555123009 DMMFCIVYDHNDNZ-YJBOKZPZSA-N 317.498 4.610 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)Cc1ccsc1 565272181 MNJVGWOYBBRFIF-MRXNPFEDSA-N 317.502 4.535 30 20 DJED N#CC1(CNC2CCC(c3cccc(C(F)(F)F)c3)CC2)CC1 571023079 IHLAIDYANNZOJP-UHFFFAOYSA-N 322.374 4.625 30 20 DJED C=CCC(F)(F)c1nc(-c2ccc3[nH]c(C)c(C)c3c2)no1 574297680 DNKPQWITANYEJL-UHFFFAOYSA-N 303.312 4.503 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCc1ncccc1Cl 600558436 VOOXOCYNXGAZJS-GFCCVEGCSA-N 317.845 4.741 30 20 DJED Cc1nc(-c2ccc([C@@H](C)NC[C@@H](C)CCC#N)cc2)cs1 602512179 RGOHSASVDKGVDC-UONOGXRCSA-N 313.470 4.709 30 20 DJED N#Cc1cccc(Oc2ccc(NC(=O)C[C@H]3C=CCC3)cc2)c1 609427425 ROGIGWDPTBJLSF-HNNXBMFYSA-N 318.376 4.645 30 20 DJED C=C(C)[C@H](Nc1ccc([N+](=O)[O-])s1)c1ccc(F)c(F)c1 613892925 ZKAGOCOLXUJOCX-AWEZNQCLSA-N 310.325 4.664 30 20 DJED N#Cc1ccc(NN=Cc2ccccc2Cl)cc1C(F)(F)F 726425734 DQQFRVLPAIBAQX-UHFFFAOYSA-N 323.705 4.676 30 20 DJED C#Cc1cccc(N(Cc2cccs2)C(=O)CC(C)(C)C)c1 728181431 HTLHIIUGGSOFOC-UHFFFAOYSA-N 311.450 4.699 30 20 DJED C=CCN(C(=O)Nc1cccc(-c2ccccc2OC)c1)C(C)C 732436112 YPLGBLANEDJKCM-UHFFFAOYSA-N 324.424 4.791 30 20 DJED Cc1[nH]c2ccccc2c1C(=O)/C=C/c1nccc2ccccc12 740765054 OHQNVCLWINRDGH-ZHACJKMWSA-N 312.372 4.921 30 20 DJED COc1cccc2cc(C(=O)/C=C/C=C\c3ccccc3)oc12 746683584 DOFVGLCCYBPVFS-QKHYZZJUSA-N 304.345 4.894 30 20 DJED CCOc1cc(/C=C\C(=O)C2CCCCC2)cc(Cl)c1O 747003239 FGXSLBIQGCCGFL-HJWRWDBZSA-N 308.805 4.607 30 20 DJED Cc1ccc(-c2nc(/C=C\C(=O)c3cccc(C)c3)co2)cc1 749887860 ZGRWQUZYIVYKSK-KHPPLWFESA-N 303.361 4.855 30 20 DJED N#Cc1cc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)ccc1F 756263773 WKGFVZRWOQDCNZ-KRXBUXKQSA-N 319.257 4.612 30 20 DJED COc1cc(/C=C/C(=O)c2cc(F)ccc2F)ccc1SC 757474110 JCQDICBHJDPUPO-XVNBXDOJSA-N 320.360 4.591 30 20 DJED Cc1nc([C@@H](C)ON=C2CCC2)oc1-c1ccc(Cl)cc1 763187702 XCLGEZLTYQECFK-LLVKDONJSA-N 304.777 4.921 30 20 DJED CC(C)(C#N)c1ccccc1COC(=O)c1ccc(Cl)s1 767969629 SLZMYSJDAUVLAC-UHFFFAOYSA-N 319.813 4.560 30 20 DJED Cc1ccccc1[C@@H]1CCCN1Cc1ccc(O[C@H](C)C#N)cc1 768316223 AGWBRNPSJXRKDF-UTKZUKDTSA-N 320.436 4.623 30 20 DJED CCOc1cc(/C=C/C(=O)c2ccco2)ccc1OCC(C)C 769772387 YSIAQLDPOXQAOP-VQHVLOKHSA-N 314.381 4.609 30 20 DJED C=C(C)CN(C)C(=S)Nc1ccc(Oc2ccccc2)cc1 777918906 QCXSDFBVEJHJGK-UHFFFAOYSA-N 312.438 4.684 30 20 DJED O=C1/C(=C/c2sccc2Cl)CCc2ccc([N+](=O)[O-])cc21 782356504 YGEQCEOHVMXZAU-JXMROGBWSA-N 319.769 4.522 30 20 DJED N#CCC1(OC(=O)c2sc3ccccc3c2Cl)CCC1 788134974 VTMPSWOXEGITDG-UHFFFAOYSA-N 305.786 4.548 30 20 DJED Cc1ccc(Cl)c(OC(=O)C[C@@H](CC#N)c2ccccc2)c1 792870627 RQTVVYBDRSHWAA-OAHLLOKOSA-N 313.784 4.641 30 20 DJED CC/C(=C/C(=O)NCC(C)(C)CCC#N)c1cccc(Cl)c1 805280175 BNJFHIUIVDDVHU-OWBHPGMISA-N 318.848 4.580 30 20 DJED O=C(C#CC1CC1)N(Cc1cccc2ccccc12)C1CCCC1 837390363 GXNDBOLACPHAMF-UHFFFAOYSA-N 317.432 4.524 30 20 DJED C=CCC[C@@H](Nc1ccc(N(C)C(=O)CC)cc1)c1ccco1 883314537 JBKQWGGFQYZLHX-QGZVFWFLSA-N 312.413 4.772 30 20 DJED O=C1/C(=C\c2cccs2)COc2c(Cl)cc(Cl)cc21 912858824 FVMJIGKOMUMPAF-YWEYNIOJSA-N 311.189 4.714 30 20 DJED FC(F)(F)c1cccnc1NN=C1CC[C@@H]2CCCC[C@H]2C1 915050518 TWBSTAVRVOZVDF-RYUDHWBXSA-N 311.351 4.859 30 20 DJED CC(CC(C)(C)c1ccccc1)=NNc1ncnc2sccc12 915954766 LFHLAQRIDBCHJW-UHFFFAOYSA-N 324.453 4.847 30 20 DJED CCc1ccc(C(C)=NNc2nccc3sccc23)s1 915980196 PQFNUGGXXRHFLJ-UHFFFAOYSA-N 301.440 4.756 30 20 DJED Cc1nc(Sc2ccc(Cl)c(F)c2)c(Cl)cc1C#N 1163676489 ZIXUKTZNJMYSGG-UHFFFAOYSA-N 313.184 4.859 30 20 DJED CC(C)COc1cccc(COc2ccc(C#N)c(Cl)c2)c1 1166012344 DHNZIWYKGUEJDZ-UHFFFAOYSA-N 315.800 4.825 30 20 DJED Cc1ccc(N(CCc2ccc(C#N)cc2)CC(C)C)c(C)c1 1171752721 XFFZZKLITGKZQX-UHFFFAOYSA-N 306.453 4.880 30 20 DJED C=C(CNc1ncnc2sc3c(c12)CCCC3)c1ccccc1 1186640009 USEWVMJAYYGHBC-UHFFFAOYSA-N 321.449 4.695 30 20 DJED CN(Cc1cccc(C#N)c1F)Cc1c(Cl)cccc1Cl 1249684987 AHANHGGCSQWMNR-UHFFFAOYSA-N 323.198 4.636 30 20 DJED Cc1cc(C#N)cc(NC(=O)C2CCC(c3ccccc3)CC2)c1 1275796624 CTHQIIJMIMDOGP-UHFFFAOYSA-N 318.420 4.779 30 20 DJED C[C@H](C#N)CN(C)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 1307446567 SIWGHMLSPVOJTD-FZKQIMNGSA-N 316.807 4.660 30 20 DJED N#Cc1cccc(CN2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)c1 1307698826 QKTDPFIEYGAVMR-BHDDXSALSA-N 316.448 4.716 30 20 DJED C[C@H](CCC#N)CN[C@@H](c1c(Cl)cccc1Cl)C1CC1 1308804091 YQEAEQJZWBSNRZ-BDJLRTHQSA-N 311.256 4.974 30 20 DJED CC[C@H](C)c1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 1353272576 VOKWYWQPFGKREE-GJZGRUSLSA-N 306.409 4.563 30 20 DJED N#C[C@H]1CCC[C@@H](OC(=O)c2sc3ccccc3c2Cl)C1 1436647194 ABUATMGCPUGZJE-WDEREUQCSA-N 319.813 4.794 30 20 DJED Cc1ccc([C@H]2[C@@H](C)CCCN2c2ccc(C#N)c(C)n2)cc1 1458210861 GIGQRVABJZHSSB-MGPUTAFESA-N 305.425 4.548 30 20 DJED CC(C)(C)c1ccc(C#N)c(OCc2c(F)cccc2Cl)n1 1459141430 ZPPPNVACYWOIIR-UHFFFAOYSA-N 318.779 4.622 30 20 DJED COc1cc(C#N)ccc1CN1C[C@H](C)CC[C@@H]1c1ccccc1 1473466192 ZWWPNLJWRHHPLT-OXQOHEQNSA-N 320.436 4.540 30 20 DJED CC(C)CC(CC(C)C)C(=O)O[C@H](C)c1cccc(C#N)c1 1518211068 IMFHSLHTSGTGSY-OAHLLOKOSA-N 301.430 4.871 30 20 DJED N#Cc1cc(Cl)ccc1NC(=O)c1ccc(C(F)F)cc1F 1532392717 MDBNNEUZTZUERN-UHFFFAOYSA-N 324.689 4.541 30 20 DJED CCC[C@H](CC(C)C)C(=O)N(C)c1ccc(C#N)c(Cl)c1 1534659825 WZAPZRKEGAZTFP-CYBMUJFWSA-N 306.837 4.637 30 20 DJED CCC1CCC(N(Cc2cc(C#N)ccc2OC)C2CC2)CC1 1644354196 OVZTYNVVYWDGOO-UHFFFAOYSA-N 312.457 4.500 30 20 DJED N#Cc1ccc(CSc2ccc(F)cc2)c(Br)c1 1651552629 MITNDBWBYBCSME-UHFFFAOYSA-N 322.202 4.752 30 20 DJED CC(C)(C)C[C@@H]1CCN(c2ccc(Cl)c(C#N)n2)C1(C)C 1652042230 ZZFTXFJPXWEABG-LBPRGKRZSA-N 305.853 4.648 30 20 DJED C=C(CNCc1ccc(Br)c(C)c1)c1ccccc1 1656350781 SDADNQYVAADTAU-UHFFFAOYSA-N 316.242 4.561 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(F)c2ccccc12 1664566652 OECROIDBPBZNLS-OAQYLSRUSA-N 316.379 4.628 30 20 DJED C=CCCC1(C(=O)O)CCN(CC[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1 1776173150 GGOLPUNOJYKXIA-PIIMJCKOSA-N 321.505 4.582 30 20 DJED O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1C(F)(F)F 7739208 JNBDGSVCCBAPJW-CMDGGOBGSA-N 321.254 4.510 30 20 DJED C[C@@H](NCc1cccc(C#N)c1)c1cc(F)c(Cl)cc1Cl 11036183 JUKGUIRBSMZMAV-SNVBAGLBSA-N 323.198 4.855 30 20 DJED CSc1ccc(C(=O)/C=C/c2ccc(C)c([N+](=O)[O-])c2)cc1 24100106 ARLGDQBOAVZIPW-BJMVGYQFSA-N 313.378 4.521 30 20 DJED C#CCCCCC(=O)N(C1CC1)[C@@H](C)c1ccccc1Cl 119679365 GZGOXNBYLODWQN-AWEZNQCLSA-N 303.833 4.586 30 20 DJED CC(C)(C)OC(=O)Nc1ccc(NCc2cccc(C#N)c2)cc1 178381282 AEALGDKNOOQLLS-UHFFFAOYSA-N 323.396 4.517 30 20 DJED CC(C)(C#N)c1ccccc1CNC1(c2cccc(Cl)c2)CC1 179677267 YXWWENMMJOXJKU-UHFFFAOYSA-N 324.855 4.920 30 20 DJED C[C@@H](N[C@H](C)c1c(F)cccc1Cl)c1cccc(C#N)c1 182000033 PORQHQOIULGSFT-VXGBXAGGSA-N 302.780 4.763 30 20 DJED CC[C@@H](Nc1cccc(OCCCC#N)c1)c1ccccc1OC 193906622 NJIBJHBGFWJUIZ-LJQANCHMSA-N 324.424 4.941 30 20 DJED Cc1cc(SC2CCCCC2)ccc1NC(=O)C(C)(C)C#N 194720794 GTADIJUFSPIVFM-UHFFFAOYSA-N 316.470 4.908 30 20 DJED C[C@@H](NCc1cccc(OCCCC#N)c1)[C@H](C)c1ccccc1 237332676 HIFWSNXPGFQHKE-ZWKOTPCHSA-N 322.452 4.651 30 20 DJED Clc1cccc(-c2cnc(CON=Cc3cccs3)o2)c1 255117916 JEUOGPPDZGIILP-UHFFFAOYSA-N 318.785 4.607 30 20 DJED N#CC1CCC(C/N=C(/O)[C@@H]2CCSc3ccccc32)CC1 328731316 WXINKFIAIWDBGP-ZBCRRDGASA-N 314.454 4.552 30 20 DJED CC(C)(C)C1CCC(C#N)(/N=C(/O)C2CCSCC2)CC1 329963730 SRNMVBCUAWYJPG-UHFFFAOYSA-N 308.491 4.585 30 20 DJED Cc1cc(C)c(N/C(O)=N/[C@H](C)c2ccc(C)c(F)c2)c(C)n1 331339921 SAGUBNCLKNZOPW-CYBMUJFWSA-N 315.392 4.541 30 20 DJED N#CCc1ccc(CNc2cc(C(F)(F)F)ccc2F)cc1 398956722 IQGUFRYVHXNQNZ-UHFFFAOYSA-N 308.278 4.523 30 20 DJED C=CC[C@H](Cc1ccccc1)N[C@H](C)c1cnn(C(C)C)c1C 414302662 MZEZTMZBEKRDLU-VQIMIIECSA-N 311.473 4.610 30 20 DJED C=CC[C@@H](C)[C@@H](C)NCc1nc(-c2ccccc2F)cs1 428440175 RVOWCPVQMLEBJE-CHWSQXEVSA-N 304.434 4.640 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1sc2cccc(F)c2c1C 432324236 GNZNAICLXONQAK-UHFFFAOYSA-N 324.380 4.781 30 20 DJED CC(C)(C)c1csc(CNc2ccc(Cl)c(C#N)c2)n1 447369871 ZXPJYONYJXHYKS-UHFFFAOYSA-N 305.834 4.578 30 20 DJED N#Cc1cccc(Cl)c1NCc1ccc(-c2ccncc2)cc1 462850055 FHTUSACSLQLESJ-UHFFFAOYSA-N 319.795 4.886 30 20 DJED CCCCN(C(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1 476288784 FFBJFFAEADSXOZ-LJQANCHMSA-N 320.436 4.907 30 20 DJED C=CCC1(C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)CCC1 479640308 UUHAXTPNPSOBFJ-UHFFFAOYSA-N 322.408 4.867 30 20 DJED C=CCOc1ccccc1CNc1ccnc2cc(F)ccc12 500413704 ILFLAYWOVLVXGK-UHFFFAOYSA-N 308.356 4.551 30 20 DJED Cc1oc(-c2cccs2)nc1CSc1ccc(C#N)cc1 509624489 IOQCTKIWKACJAN-UHFFFAOYSA-N 312.419 4.876 30 20 DJED N#Cc1ccc(Oc2cccc(NC(=O)CC3CCCC3)c2)cc1 520531334 BGIPXLPQKDPNCY-UHFFFAOYSA-N 320.392 4.869 30 20 DJED C=C[C@H](CC(=O)Nc1ccc2ncccc2c1)c1ccccc1 535365148 GIWMZAMLVQFQSJ-OAHLLOKOSA-N 302.377 4.533 30 20 DJED CCCC[C@@H](NCCCC(C)(C)C#N)c1ccc(OC)cc1 538200688 BASBWOKVBQCCLU-GOSISDBHSA-N 302.462 4.846 30 20 DJED Cc1ccccc1[C@H](NCc1ccc(CC#N)cc1)C(C)(C)C 541327750 YRQKOSIIBAEZKE-FQEVSTJZSA-N 306.453 4.938 30 20 DJED C[C@@H]1CCCN(C(=O)c2ccc(C#N)c(Cl)c2)c2ccccc21 548616217 AFHSTCCORKEDLV-CYBMUJFWSA-N 324.811 4.756 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc3c(c2)CCC=C3)n1 551760524 GUVKWNQMNMLMNG-INIZCTEOSA-N 322.433 4.716 30 20 DJED C[C@H](NCC(C)(C)CCC#N)c1ccccc1OC(F)(F)F 554367150 UCAYJVFCPLPDJK-LBPRGKRZSA-N 314.351 4.566 30 20 DJED C=CCCCCN[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 570527498 UADYNRATWKHZKJ-QGZVFWFLSA-N 322.452 4.946 30 20 DJED N#Cc1ccc2c(c1)[C@H](N[C@H](c1ccc(F)cc1)C1CCC1)CC2 583722586 FIZRSPFRLGUFQX-RTWAWAEBSA-N 320.411 4.816 30 20 DJED CCC[C@@H]1CCCC[C@H]1NCc1cccc(OCCCC#N)c1 609122319 BYNHIRJVQKTDDX-UYAOXDASSA-N 314.473 4.818 30 20 DJED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc2ccccc2n1 610830402 QJIBVHAERIEUMC-CABCVRRESA-N 301.393 4.518 30 20 DJED CC[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(Cl)c1 618807796 XABXWJNJCQVYNP-RTBURBONSA-N 310.828 4.940 30 20 DJED Cc1ccc([C@H](NCc2ccc(C#N)c(Cl)c2)C2CCC2)o1 619755164 AUXBQTRQTVXMCG-GOSISDBHSA-N 314.816 4.744 30 20 DJED CC(C)c1cccc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c1 659114843 ISFZULFKJFGISP-OAHLLOKOSA-N 312.438 4.880 30 20 DJED C#Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)c1 731164977 VKHKTPSTUQJGQF-RTWAWAEBSA-N 311.384 4.563 30 20 DJED C=CC1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 732002905 BZCZLJBOYFVJHI-UHFFFAOYSA-N 305.830 4.593 30 20 DJED Cc1ccc2cc(C(=O)/C=C\c3cn(C)nc3C(C)(C)C)oc2c1 754830479 SBRHOKZOZMSCRH-HJWRWDBZSA-N 322.408 4.668 30 20 DJED CCc1c(C(=O)/C=C\c2ccc(C(=O)O)cc2)oc2ccccc12 916131736 LYIDLHSVGVUODP-XFXZXTDPSA-N 320.344 4.590 30 20 DJED Cc1cccc(C(=O)/C=C\c2ccc(Br)s2)c1 916153262 JXYZLQNBHTWOEG-ALCCZGGFSA-N 307.212 4.715 30 20 DJED CCCCCC1=CCCC1=NNc1ccc(C(C)(C)C)nn1 1116087755 MEBAZLBTJOIFPR-UHFFFAOYSA-N 300.450 4.843 30 20 DJED CC[C@@H](OC(=O)CC1(C#N)CCCCC1)c1ccc(F)c(C)c1 1127857889 YCNJZQSOOOPFSX-QGZVFWFLSA-N 317.404 4.993 30 20 DJED CC[C@@H](C)c1ccc([C@H](Nc2cc(C#N)nc(C)n2)C(C)C)cc1 1162020890 QZUQWOZNRFYCQP-JLTOFOAXSA-N 322.456 4.979 30 20 DJED CCCOc1cccc(CN(CCC)Cc2ccc(C#N)cc2)c1 1167023577 GUORMJKLIQOJEM-UHFFFAOYSA-N 322.452 4.759 30 20 DJED Cc1ccc(C)c(COc2cc(C#N)ccc2Br)c1 1189902876 NXSVMIAPPZKNBM-UHFFFAOYSA-N 316.198 4.517 30 20 DJED N#C[C@H]1CC[C@@H](Sc2ncc(-c3ccc(Cl)cc3)[nH]2)C1 1190251246 WRTLXCVSULKSFQ-GXFFZTMASA-N 303.818 4.514 30 20 DJED N#Cc1cc(NC(=O)c2ccc(-c3ccccc3)o2)ccc1Cl 1356441370 OGFHQVWOAWRMBI-UHFFFAOYSA-N 322.751 4.724 30 20 DJED N#Cc1ccc(C(=O)Nc2cc(C(F)F)ccc2Cl)c(F)c1 1436175264 VLPGQMHPXYTDTI-UHFFFAOYSA-N 324.689 4.541 30 20 DJED Cc1cccc2oc(C(=O)O[C@H](C)c3ccc(C#N)cc3)cc12 1457190009 HAMNOSUOQSNBJU-CYBMUJFWSA-N 305.333 4.531 30 20 DJED C[C@@H](Cc1ccccc1C(F)(F)F)Nc1cccc(CC#N)c1 1462251541 ZHAOBASQTMJGOQ-ZDUSSCGKSA-N 318.342 4.815 30 20 DJED CCN(C[C@@H](C)c1ccc(OC)cc1)[C@@H](C)c1ccc(C#N)cc1 1473117904 QWXVPAQHFBTIRF-SJORKVTESA-N 322.452 4.753 30 20 DJED CCCCN(C(=O)c1cc(C#N)ccc1C)[C@H]1CCC[C@H](C)C1 1527351400 MKXDZHQAEYFCLR-YJBOKZPZSA-N 312.457 4.688 30 20 DJED N#Cc1cccc(CSCc2cccc(OC(F)F)c2)c1F 1559378130 YVJZZCMMDKWQIT-UHFFFAOYSA-N 323.339 4.732 30 20 DJED C[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)c2ccccc21 1562318270 PVDDQKJKARAPBC-CYBMUJFWSA-N 323.371 4.633 30 20 DJED N#CC1(CCN2CCC(c3ccsc3)CC2)CCCCC1 1617325151 OBYZEBLLSMPVHW-UHFFFAOYSA-N 302.487 4.792 30 20 DJED Cc1cc(COc2cc(Br)ccc2C#N)c(C)s1 1641187246 ILJWUNJQSMXQEN-UHFFFAOYSA-N 322.227 4.578 30 20 DJED N#CC1(CC(=O)N2CCC[C@H](C3CCCCC3)C2)CCCCC1 1642219813 DUVSNFFVKSTQEN-SFHVURJKSA-N 316.489 4.669 30 20 DJED CC[C@H]1c2ccccc2CCN1Cc1ccc(Cl)cc1C#N 1652514699 CMPXYSSHFAHTLL-IBGZPJMESA-N 310.828 4.721 30 20 DJED N#Cc1ccc(SCC(=O)c2ccc(Cl)cc2)c(Cl)c1 1652723406 JIMKHEXVWVKJQH-UHFFFAOYSA-N 322.216 4.840 30 20 DJED Cc1ccc(CC2CCN([C@H](C#N)c3ccccc3)CC2)cc1C 1654628765 KVUYUDYKXJKSMB-JOCHJYFZSA-N 318.464 4.823 30 20 DJED N#Cc1nc(N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)sc1Cl 1655443737 UOGPZTJSAWLMDI-CMPLNLGQSA-N 321.808 4.555 30 20 DJED C[C@H](c1cccc(C#N)c1)N1Cc2ccccc2C2(CCC2)C1 1658601492 HQNRESKCAAMOES-MRXNPFEDSA-N 302.421 4.557 30 20 DJED Cc1cc(C#N)cc(NC(=O)N(C)[C@@H](C)c2ccc(C)cc2C)c1 1672776233 YFRCVKMJIPWGDX-INIZCTEOSA-N 321.424 4.708 30 20 DJED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccsc3)n2)cc1 41513185 GIMUIFFOSKFBIP-AWEZNQCLSA-N 324.430 4.670 30 20 DJED CC(C)c1ccsc1C(=O)[C@@H](C#N)c1nc2ccccc2o1 66516474 UXUSWYDGLOGSEV-GFCCVEGCSA-N 310.378 4.503 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCc1ccc(F)c(F)c1 117869561 NMTSESIJINVSAP-GFCCVEGCSA-N 318.392 4.971 30 20 DJED COc1ccccc1C(C)(C)NCc1ccccc1C(C)(C)C#N 135187487 YJBKBVLZPXSEAA-UHFFFAOYSA-N 322.452 4.521 30 20 DJED N#CCCCOc1cccc(N[C@@H]2CCc3ccc(F)cc32)c1 174997635 KITMBOWITFVXSU-LJQANCHMSA-N 310.372 4.608 30 20 DJED Cc1cccc(-c2ccc(CNCc3cccc(C#N)c3)cc2)c1 237812476 KKAXBWCGDKYLCA-UHFFFAOYSA-N 312.416 4.824 30 20 DJED CC(C)[C@H]1CC[C@H](/C(O)=N/[C@@H]2CCC(O)=N[C@H]2C(C)(C)C)CC1 329184683 AGDPVVWVXAAYDJ-KCYZZUKISA-N 322.493 4.939 30 20 DJED CC1(C/N=C(/O)CC/C(O)=N/C2CCCC2)CCCCCC1 329284714 OOFSSRCQRRBBHN-UHFFFAOYSA-N 308.466 4.983 30 20 DJED C[C@@H]1CCC[C@H](C/C(O)=N/CC[C@@H]2C(O)=Nc3ccccc32)C1 329483783 FIODRFFPKGXFFG-YCPHGPKFSA-N 314.429 4.935 30 20 DJED CCC(C)(C)OCc1ccccc1N=C(O)NC1(C)CCCC1 330862364 SNJBEYXEXMKGIE-UHFFFAOYSA-N 318.461 4.860 30 20 DJED CC(C)[C@H](c1ccc(F)cc1)N(C)Cc1ccc(C#N)s1 435281111 VOKKZMZZQMKCCF-QGZVFWFLSA-N 302.418 4.588 30 20 DJED Cc1ccc([C@H]2CCC[C@@H]2N(C)Cc2cccc(C#N)c2)cc1 441329171 CANJHFKJQGAVSH-RTWAWAEBSA-N 304.437 4.635 30 20 DJED CCCCCN(C(=O)NCC1CCC(C#N)CC1)[C@H](C)CCC 442725832 BBJPFDILNFMDRW-WWDZGPRUSA-N 321.509 4.707 30 20 DJED CC(C)CCN(C(=O)Nc1cccc(CC#N)c1)C1CCCC1 455909386 BIMWLPQYDLZFBU-UHFFFAOYSA-N 313.445 4.575 30 20 DJED C[C@@H](C(=O)Nc1cccc2ccsc12)c1cccc(C#N)c1 462231151 JQIUMFATWVQDEL-GFCCVEGCSA-N 306.390 4.515 30 20 DJED CCCC[C@H](CC)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 468362963 RJBXCNXBLNNQMM-UHOSZYNNSA-N 312.457 4.501 30 20 DJED Cc1ccc(-c2cnc(CSc3cccc(C#N)c3)o2)cc1 468652353 HYGBSCSEEUHXBI-UHFFFAOYSA-N 306.390 4.814 30 20 DJED C=C(C)[C@@H](NC(=O)c1ccccc1Cl)c1ccc(F)c(F)c1 475657834 AEBWZTYCCFJVRT-MRXNPFEDSA-N 321.754 4.665 30 20 DJED Cc1cc(C)c(NCc2ccc(C#N)s2)cc1Br 485705323 OHBFXTBJIWXILQ-UHFFFAOYSA-N 321.243 4.611 30 20 DJED N#Cc1cccc(C#N)c1N[C@H]1CCCc2sc(Cl)cc21 488723126 VTPICSBPEZRLBV-ZDUSSCGKSA-N 313.813 4.634 30 20 DJED C[C@H](N[C@@H](CC(C)(C)C)C(F)(F)F)c1ccc(C#N)c(F)c1 495391662 QZOFIIHAUDHUQM-HZMBPMFUSA-N 316.342 4.715 30 20 DJED C=CCOc1ccc(CN(C)[C@@H](C)c2cccs2)cc1OC 507433505 LVWXBQMNBLJMBK-AWEZNQCLSA-N 317.454 4.515 30 20 DJED N#Cc1ccccc1CN1CCCC[C@H]1c1cc2ccccc2[nH]1 513497203 SQEGQILSUOHVTQ-NRFANRHFSA-N 315.420 4.767 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCc2cc(Cl)ccc21 515319440 CLSMMRIMUSZJCR-UXHICEINSA-N 322.839 4.866 30 20 DJED C=CC[C@@H](C)[C@H](C)Nc1cccc2c1CN(c1ccccn1)C2 538592110 LDKMEJCJYDBYQB-CVEARBPZSA-N 307.441 4.614 30 20 DJED CC(C)[C@@H](NCc1ccc(F)cc1C#N)c1ccccc1Cl 540385836 JJJPDTARKGDMHU-GOSISDBHSA-N 316.807 4.838 30 20 DJED C=CCCCCCN[C@@H](c1cncc(Br)c1)C1CC1 551418207 LOHFDXLSPZBOPO-MRXNPFEDSA-N 323.278 4.631 30 20 DJED Cc1ccc(C)c([C@@H]2CCCN2c2nccc(C#N)c2Cl)c1 557627537 MRCWXDVYIJKRQG-INIZCTEOSA-N 311.816 4.565 30 20 DJED CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C#N)cc1Cl 558803920 SPTIZIDIBGHPOA-JKSUJKDBSA-N 324.811 4.516 30 20 DJED Cc1ccc(C)c2c1CCC[C@H]2NC1(c2cccc(C#N)c2)CC1 560261393 NPKKPNVMQRCSGR-HXUWFJFHSA-N 316.448 4.831 30 20 DJED CC(C)c1ccc2occ(C(=O)N(C)c3ccccc3C#N)c2c1 569384577 XQFZEZHNYUTILV-UHFFFAOYSA-N 318.376 4.704 30 20 DJED C[C@@H](NC(=O)c1cc(C#N)ccc1Cl)c1cccc(C2CC2)c1 572573991 VGUPOXFFHWGNHV-GFCCVEGCSA-N 324.811 4.580 30 20 DJED C=CCOc1cccc(CNCc2ccc(C(C)(F)F)cc2)c1 576771304 MFSVNACAUSTYGD-UHFFFAOYSA-N 317.379 4.653 30 20 DJED CC[C@@H](CC#N)NCc1csc(-c2ccc(C(C)C)cc2)n1 579969965 VHQHCKUIRZFPGF-INIZCTEOSA-N 313.470 4.715 30 20 DJED N#C[C@H](Cc1ccccc1)Sc1ccccc1Br 603454074 NCFMKCKKGJRYJR-ZDUSSCGKSA-N 318.239 4.676 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NC1(c2ccc(Cl)cc2)CC1 611473142 FUJUXLJCSISXSA-LJQANCHMSA-N 322.839 4.868 30 20 DJED C=CCC1(C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)CCC1 682865837 JZXYBSLKPSSWFO-KRWDZBQOSA-N 322.452 4.620 30 20 DJED O=C(/C=C\c1ccc(OC(F)F)c(Cl)c1)c1cccs1 731488526 IUEHNFCCPOANIA-HYXAFXHYSA-N 314.740 4.899 30 20 DJED Cc1ccc(F)c(/C=C\C(=O)c2cnn(-c3ccccc3)c2C)c1 734981933 ZPGLNFQCGXLOML-LUAWRHEFSA-N 320.367 4.524 30 20 DJED Cc1ccc(C(=O)/C=C/c2coc(-c3ccc(C)cc3)n2)cc1 748440381 JUWXQGIWYUSWBU-VAWYXSNFSA-N 303.361 4.855 30 20 DJED CCCCCCC[C@H](C)CNC(=O)[C@@H](C)c1c(C)noc1C 749793971 CDGREAUOGBRHJI-KBPBESRZSA-N 308.466 4.508 30 20 DJED C=CC[C@H](N[C@H](C)c1ccc(OC)c(Cl)c1)c1ccncc1 766020613 QQFNGKYRGYJCBV-DYVFJYSZSA-N 316.832 4.712 30 20 DJED C#Cc1cccc(NC(=S)N[C@@H](CCC=C)c2ccccc2)c1 771850927 RXANDCKHWRBBKM-IBGZPJMESA-N 320.461 4.662 30 20 DJED C[C@H](Nc1ccc(OC(F)(F)F)cc1)c1ccc(C#N)c(F)c1 776796618 QMTMUKIIPHZXES-JTQLQIEISA-N 324.277 4.769 30 20 DJED C=C[C@@H](CC(=O)O[C@@H](C)c1ccc(Cl)cn1)c1ccccc1 781612513 LNMIGWFBSGURCJ-KBPBESRZSA-N 315.800 4.699 30 20 DJED CC(=NNc1ccc(C#N)c(Cl)c1)c1cc(C)sc1C 783876578 AVBJZMPHOINTMN-UHFFFAOYSA-N 303.818 4.726 30 20 DJED CCc1cccc(Cl)c1C=NNc1cccc2cnccc12 788714742 IFAIHQNLKRIDLR-UHFFFAOYSA-N 309.800 4.897 30 20 DJED CCc1ccc(N(CC)C(=O)c2ccc(C(C)(C)C#N)cc2)cc1 793009941 ORTSMKJTTLZRBP-UHFFFAOYSA-N 320.436 4.717 30 20 DJED N#C[C@H](C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21)c1nc2ccccc2o1 796818605 OXOXQNZIETWJCU-ZJIFWQFVSA-N 322.408 4.611 30 20 DJED N#Cc1ccccc1C(=O)/C=C\c1cc(C(F)(F)F)ccc1F 799499565 MZWTWLAQOPQECC-YVMONPNESA-N 319.257 4.612 30 20 DJED Cc1cc(C(=O)/C=C/c2nc3ccc(F)cc3s2)oc1C 799897282 NOSOGEVJHVLBKZ-AATRIKPKSA-N 301.342 4.541 30 20 DJED Cc1cc(Cl)ccc1/C=C1/Cc2nc(Cl)ccc2C1=O 806579736 POYZIEZQIBTNFN-XFFZJAGNSA-N 304.176 4.519 30 20 DJED C#CC[C@@H](N[C@H](C)c1cc(Cl)cc(C)c1O)c1ccccc1 808709026 SOXDUZHHKQCGID-RDTXWAMCSA-N 313.828 4.769 30 20 DJED C[C@@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1csc2ccccc12 811802474 BVMGPBPRFCLMNF-LLVKDONJSA-N 323.377 4.854 30 20 DJED C=CCC(F)(F)C(=O)N(CC1CCC1)[C@H](C)c1ccccc1 815678901 RQWGNRNWRPKDKS-CQSZACIVSA-N 307.384 4.588 30 20 DJED Cc1cccc([C@@H]2C[C@H]2C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c1 860582421 WRJGLFRATZPXFO-XHSDSOJGSA-N 324.449 4.555 30 20 DJED CC[C@@H](N[C@@H](c1ncccc1C)C(C)C)c1cccc(C#N)c1 902805643 DNHTTXZHZVJZCK-RTBURBONSA-N 307.441 4.700 30 20 DJED CCCCCCCCCC(=O)Nc1ccc2c(c1)CCC(=O)N2 914736767 MZLGQZDEPUMBKA-UHFFFAOYSA-N 316.445 4.651 30 20 DJED O=C(/C=C/c1ccc(OCC(F)(F)F)cc1)c1cccs1 921261447 PSTYEWRKGQXSKG-VMPITWQZSA-N 312.312 4.585 30 20 DJED CCc1c(C)sc(NC(=O)c2ccc(C3CC3)cc2)c1C#N 1125717984 SJFBQJMBENPQBZ-UHFFFAOYSA-N 310.422 4.620 30 20 DJED CC[C@@H](c1ccccc1)N(C(=O)c1cccc(C#N)c1C)C(C)C 1131575737 KSGBXNYHWPMEDS-FQEVSTJZSA-N 320.436 4.869 30 20 DJED N#Cc1cccc(Br)c1Nc1ccc2c(c1)CCC2 1184554552 AHULEUUSZNBUDB-UHFFFAOYSA-N 313.198 4.553 30 20 DJED C[C@H]1CN(CCC2(C#N)CCCCC2)c2cc(Cl)ccc2O1 1191258984 QYFDZDHJPOVNHB-AWEZNQCLSA-N 318.848 4.791 30 20 DJED CCc1ccc(C(=O)Nc2ccc(Cl)cc2C#N)cc1CC 1279076875 FHYHLSRANOECOS-UHFFFAOYSA-N 312.800 4.589 30 20 DJED CCC1(CNc2nc(C(F)(F)F)ccc2C#N)CCCCC1 1307090950 PZLYZCNTOVOJGJ-UHFFFAOYSA-N 311.351 4.744 30 20 DJED N#Cc1sc(NC(C2CCCC2)C2CCCC2)nc1Cl 1307216996 VHOCGKHVSPSUHQ-UHFFFAOYSA-N 309.866 4.829 30 20 DJED COc1ccc([C@H](N[C@H](C)CC(C)(C)C#N)c2ccccc2)cc1 1308862450 XJZBAFLZNKSDKE-OXQOHEQNSA-N 322.452 4.703 30 20 DJED CCc1ccc(C(=O)Nc2ccc(C#N)cc2Cl)cc1CC 1355987961 SINWLIDIOLPKNH-UHFFFAOYSA-N 312.800 4.589 30 20 DJED CCC[C@@H](CC1CCCC1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 1459747253 FSIOOYYZEKMYCU-AZUAARDMSA-N 324.468 4.658 30 20 DJED Cc1cccc2c1N(C(=O)c1ccc(C#N)c(Cl)c1)CC[C@H]2C 1460354284 PCGVOYIGOHWKMP-GFCCVEGCSA-N 324.811 4.674 30 20 DJED C[C@@H]1CCCC[C@H]1CCNC(=O)Nc1ccc(C#N)cc1Cl 1465888622 PFBJEEVSTORPKU-OCCSQVGLSA-N 319.836 4.550 30 20 DJED C[C@]1(c2ccccc2)CCCN(c2cccc(F)c2C#N)CC1 1472780509 IRTWJTYXDDHFEW-FQEVSTJZSA-N 308.400 4.646 30 20 DJED CC(C)CN(C(=O)C1CCC2(CC1)CC2)c1ccc(C#N)cc1 1526173687 SZQREIWIQPRBLY-UHFFFAOYSA-N 310.441 4.518 30 20 DJED CC(C)c1cc(C(=O)Nc2cccc(C#N)c2)c(O)c(C(C)C)c1 1538523698 JKMQYJUKBUATCU-UHFFFAOYSA-N 322.408 4.763 30 20 DJED Cc1ccc2c(c1)SCCCN2Cc1ccc(C#N)c(F)c1 1560866021 SVWHSRWQVLNGBB-UHFFFAOYSA-N 312.413 4.508 30 20 DJED N#Cc1cnc(N[C@@H]2CCC[C@@H](c3ccccc3)C2)c(Cl)c1 1612353359 ITEIDNBHMVVTAS-HZPDHXFCSA-N 311.816 4.745 30 20 DJED Cc1ccc(F)c2c1CCCN2Cc1ccccc1C(C)(C)C#N 1616020617 UQTYDVAILRCNNI-UHFFFAOYSA-N 322.427 4.888 30 20 DJED CC(C)C(CNc1c(Br)cccc1C#N)C(C)C 1650983633 IMTYNPWBHJCQTF-UHFFFAOYSA-N 309.251 4.661 30 20 DJED N#Cc1c(F)cccc1N1CCC(CCc2ccccc2)CC1 1652236978 XZZJQRUNIZSEGL-UHFFFAOYSA-N 308.400 4.547 30 20 DJED C=C(Br)CN[C@@H](c1ccccc1F)C1CCCC1 1653886467 MKKSYINPNCAQCP-OAHLLOKOSA-N 312.226 4.555 30 20 DJED N#Cc1c(F)cccc1Sc1nc2ccc(F)cc2s1 1655612225 NPRZSPXMHBXNML-UHFFFAOYSA-N 304.346 4.597 30 20 DJED COc1ccc([C@@H](C)SCc2ccc(F)cc2C#N)cc1 1656240572 XZXJKQNSGTZXEG-GFCCVEGCSA-N 301.386 4.700 30 20 DJED C[C@@H](NCc1ccc(F)c2ccccc12)c1cccc(C#N)c1 1660698057 WPVHCJVNCZFPRI-CQSZACIVSA-N 304.368 4.701 30 20 DJED COc1ccc([C@H](Cc2ccccc2)NC[C@H](C)CCC#N)cc1 1664913657 KOJCMRHHVONVIX-UTKZUKDTSA-N 322.452 4.508 30 20 DJED C[C@H]1CCCC[C@H]1CCNC(=O)Nc1ccc(C#N)c(Cl)c1 1665386108 RSVVEEOMMTXNTF-STQMWFEESA-N 319.836 4.550 30 20 DJED CC(=NNc1cccc(C(=O)O)c1C)c1oc2ccccc2c1C 1776086528 ZHYMGUZQVMJAOS-UHFFFAOYSA-N 322.364 4.584 30 20 DJED N#Cc1cccc(CN[C@@H]2CCSc3ccc(Cl)cc32)c1 35054084 BJZHSPYMBZPHKA-MRXNPFEDSA-N 314.841 4.538 30 20 DJED C[C@H](NCc1cnc(-c2ccccc2)s1)c1ccc(C#N)cc1 66989450 KOUJWQBJJSKTEU-AWEZNQCLSA-N 319.433 4.533 30 20 DJED O=C(/C=C/c1csc(-c2cccs2)n1)c1cccs1 77563680 YMGARIOCWODCEZ-AATRIKPKSA-N 303.433 4.829 30 20 DJED C=C[C@H](CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccccc1 121597653 KLTVIKPNUJBRCA-OAHLLOKOSA-N 324.380 4.510 30 20 DJED N#CCC[C@@H](NCc1ccc(Cl)c(F)c1)c1ccccc1 130546484 GAQKEQXABZRKOL-QGZVFWFLSA-N 302.780 4.614 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)C2CCC(C)(C)CC2)n1 132473360 ADKXIWZYINJVGU-CYBMUJFWSA-N 304.459 4.659 30 20 DJED C[C@H](Nc1cccc(OCCCC#N)c1)c1cccnc1Cl 179821699 IGNSJXSHBJYBTI-ZDUSSCGKSA-N 315.804 4.591 30 20 DJED Cc1cc(C)cc([C@@H](C)N[C@H](C)c2ccc(OCC#N)cc2)c1 180536913 JJWPSEMHLUMAIC-IAGOWNOFSA-N 308.425 4.618 30 20 DJED C[C@H](NCc1ccc(C#N)c(F)c1)c1cccc(C(F)(F)F)c1 192147374 PAEIGIDANSYLRR-NSHDSACASA-N 322.305 4.567 30 20 DJED CC(C)c1ccc(C=NOCc2csc(C3CC3)n2)cc1 255393829 DGEFSBOQVCTYQQ-UHFFFAOYSA-N 300.427 4.695 30 20 DJED Cc1cc(N[C@@H](C)c2ccc(Cl)cc2Cl)nn1CCC#N 271045638 TZGHJLLLQBFMAK-NSHDSACASA-N 323.227 4.585 30 20 DJED CC(C)c1ccc(-c2nnc(S[C@@H](C)CCC#N)o2)cc1 298530711 XDQJCOUPBRCBBT-LBPRGKRZSA-N 301.415 4.644 30 20 DJED C[C@@H](Nc1ccc(Cl)c(C#N)n1)c1ccc(F)cc1Cl 301296574 XVKLWGZPSOVESV-MRVPVSSYSA-N 310.159 4.572 30 20 DJED CC(C)(C)[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(F)cc1 323089230 VYFQAEKIBDWSEN-SFHVURJKSA-N 314.379 4.713 30 20 DJED N#CCC[C@H](NC1CC(c2cccc(F)c2)C1)c1ccccc1 341355997 QSWWOINXGBRYAH-UUKMXZOPSA-N 308.400 4.706 30 20 DJED COc1cc(C(C)=O)ccc1SCCC1(C#N)CCCCC1 413001493 PUCNQJZEAORTSE-UHFFFAOYSA-N 317.454 4.854 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CC1CCCCCC1 426100318 DRCRAWIMTXLFHF-UHFFFAOYSA-N 312.457 4.656 30 20 DJED C[C@]1(c2ccccc2)CC[C@@H](N(CCC#N)Cc2ccco2)C1 437595519 YYGYXGJVIYKVHC-QUCCMNQESA-N 308.425 4.506 30 20 DJED C=CCCC[C@@H](C)NC(=O)c1ccc(-c2csc(C)n2)cc1 441286240 HIXTVJHGVXNOJZ-CYBMUJFWSA-N 314.454 4.593 30 20 DJED N#CC1(c2nc(-c3ccc(Cl)cc3Cl)no2)CCCCC1 445461886 AXFJRGHBPKFUBK-UHFFFAOYSA-N 322.195 4.769 30 20 DJED N#CCCCC(=O)N[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 462402628 OJIAVLYMACXSJB-SJORKVTESA-N 318.848 4.566 30 20 DJED C=CCCN(C)C(=O)Nc1cccc(Cl)c1SC(C)C 466575346 ROOZKICPCCXUSO-UHFFFAOYSA-N 312.866 4.880 30 20 DJED N#C[C@@H]1CC[C@H](N[C@@H](c2ccc(Cl)cc2)C2CCCC2)C1 467359597 ONSTVAJOXMNQKH-JEBQAFNWSA-N 302.849 4.853 30 20 DJED CC(C)CN(C(=O)c1ccc(C#N)s1)c1ccc(Cl)cc1 475060394 CTGGZNUAJDUAKS-UHFFFAOYSA-N 318.829 4.576 30 20 DJED Cc1ccc(-c2csc(CSc3cc(C#N)ccn3)n2)cc1 505659941 KSLPRJGBBQLXRG-UHFFFAOYSA-N 323.446 4.678 30 20 DJED CCCc1cc(C(=O)N[C@@](C)(C#N)C2CCCCC2)sc1C 515013311 GQMZCVKIADKWLX-SFHVURJKSA-N 318.486 4.601 30 20 DJED C=CCCCS[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 522758427 XWTIUWCLSLFGRY-OLZOCXBDSA-N 311.878 4.605 30 20 DJED CCSc1cccc(F)c1NCc1ccc(F)c(C#N)c1 564694212 UGGDEXPVCPKVTL-UHFFFAOYSA-N 304.365 4.561 30 20 DJED N#Cc1ccc2c(c1)[C@H](NCCc1csc3ccccc13)CC2 584261529 IIAMALJSPXDZHC-LJQANCHMSA-N 318.445 4.593 30 20 DJED COc1cccc(-c2nc(CSCCC(C)(C)C#N)co2)c1 601055260 MEFDTYLPNZKJPO-UHFFFAOYSA-N 316.426 4.523 30 20 DJED C=CCCCCCN(C)C(=O)N[C@H](c1ccccc1C)C1CC1 606983729 WNWHEWFBRNYFCW-IBGZPJMESA-N 314.473 4.834 30 20 DJED CC(C)CN(C(=O)c1cc2occc2s1)c1ccc(C#N)cc1 609854810 GSQHCTOKAAYLPO-UHFFFAOYSA-N 324.405 4.669 30 20 DJED C[C@@H](C#N)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1 609920920 PRNLDNQTMVBDGJ-NSHDSACASA-N 316.813 4.589 30 20 DJED N#Cc1ccc(N[C@H]2CCc3ccc(F)cc32)c(C(F)(F)F)c1 609963631 JIMUKZLPAIGQCI-HNNXBMFYSA-N 320.289 4.816 30 20 DJED C[C@H](NC(=O)Nc1ccc(C(C)(C)C)cc1)c1cccc(C#N)c1 610317148 TZKXUYIQAUSXOF-AWEZNQCLSA-N 321.424 4.738 30 20 DJED C[C@@H](NC(=O)Nc1ccccc1C(C)(C)C)c1cccc(C#N)c1 610317289 ZBJCJSWFADQATP-CQSZACIVSA-N 321.424 4.738 30 20 DJED CCC(C)(C)CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 610396206 QXSWTXWWVQUPCM-UHFFFAOYSA-N 323.396 4.510 30 20 DJED C=CCN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 611809630 CKXBRKWIDSODHA-ZIAGYGMSSA-N 311.347 4.574 30 20 DJED C=CC[C@@H]1CCCN(C(=O)Nc2c(CC)cccc2CC)C1 665177066 UTCWAYQKPPLFBK-OAHLLOKOSA-N 300.446 4.631 30 20 DJED C[C@@H]1C[C@@H](CC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)CC(C)(C)C1 727624664 AYZNUMQQKHUVBW-ILXRZTDVSA-N 323.440 4.592 30 20 DJED Fc1ccccc1NN=Cc1ccc(OC(F)F)c(Cl)c1 731486907 ZANUCTZFNFUXAB-UHFFFAOYSA-N 314.694 4.527 30 20 DJED Cc1ccsc1CNCc1cccc(-c2ccc(C#N)s2)c1 740013709 JBUPVFFMYWKSPA-UHFFFAOYSA-N 324.474 4.947 30 20 DJED O=C(/C=C\c1cccc(O)c1)c1ccc(SCC(F)F)cc1 741840957 CKBPTOADIPAEEG-WTKPLQERSA-N 320.360 4.646 30 20 DJED CCCCCC[C@@](C)(CC)C(=O)N(C)Cc1ccc(C#N)cc1 742528575 OJIOYALMCIICIL-HXUWFJFHSA-N 314.473 4.903 30 20 DJED C#Cc1cccc(N(CC)C(=O)[C@@H](C)c2ccc(Cl)s2)c1 749981805 SFDSOCVCZFGFFT-LBPRGKRZSA-N 317.841 4.539 30 20 DJED N#Cc1ccc(SCc2cnc(Cl)s2)c(Cl)c1 754720373 PJWIMMZXAXCHTL-UHFFFAOYSA-N 301.223 4.614 30 20 DJED O=C(/C=C\c1cccc(OC(F)(F)F)c1)c1ccccc1F 757465089 KLZTTXMQYFQUBF-HJWRWDBZSA-N 310.246 4.620 30 20 DJED O=C1/C(=C\c2ccc(C(F)(F)F)s2)Cc2cc(F)ccc21 761475062 BUKVFPCVUAHTEZ-CLFYSBASSA-N 312.287 4.728 30 20 DJED COc1c(Cl)cc(NCc2cc(C#N)cs2)cc1Cl 770552898 MMUFTVFPQSUEJQ-UHFFFAOYSA-N 313.209 4.547 30 20 DJED CSc1ccc(C)c(NCc2ccc(O[C@H](C)C#N)cc2)c1 775763790 XCBVFITZWLUZAI-CQSZACIVSA-N 312.438 4.620 30 20 DJED O=C(/C=C\c1cc(Cl)cc(C(F)(F)F)c1)c1cncs1 787172459 WDWIZBXPEKDCNG-UPHRSURJSA-N 317.719 4.711 30 20 DJED N#Cc1ccc2c(c1)CC/C(=C\c1ccc(C(F)F)cc1)C2=O 794941216 KUIQLKTVWRCZFF-CXUHLZMHSA-N 309.315 4.708 30 20 DJED N#Cc1ccccc1C(=O)/C=C\c1ccc(F)cc1C(F)(F)F 799498611 AVJHTNQBNZPILI-VURMDHGXSA-N 319.257 4.612 30 20 DJED CCCCCCCCC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1 855952142 RWXVFRWJOJHKJO-QZTJIDSGSA-N 309.494 4.545 30 20 DJED C=CCCC[C@@H](NCc1cccc(-c2ccccc2C)c1)C(=O)O 900068582 LFZKGRILHPYARH-HXUWFJFHSA-N 323.436 4.561 30 20 DJED Cc1ccc([C@H](C)/N=C\c2cc(Cl)cc([N+](=O)[O-])c2O)s1 920175232 UDWZYZRYIZHMHU-JUAVFEPTSA-N 324.789 4.504 30 20 DJED C[C@H](OC(=O)c1ccccc1CC#N)c1cccc2ccccc12 920516825 KCBZENUOASYUGO-HNNXBMFYSA-N 315.372 4.824 30 20 DJED O=C(/C=C\c1ccc(OCC(F)(F)F)cc1)c1cccs1 921261448 PSTYEWRKGQXSKG-YVMONPNESA-N 312.312 4.585 30 20 DJED C=CCN(CC1CCCCC1)C(=O)[C@@H](C)c1ccc(F)cc1F 1116135017 QPHDJMSCVRFGCO-AWEZNQCLSA-N 321.411 4.663 30 20 DJED Cc1ccc([C@H]2CCN([C@@H](C)c3cccc(C#N)c3)C2)c(C)c1 1194073989 NWBWYQPRIUDBRJ-PXNSSMCTSA-N 304.437 4.726 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1c(C)cccc1C 1197625647 XTASDLPVXLKXJT-UHFFFAOYSA-N 321.424 4.619 30 20 DJED CCCC[C@H](CCC)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 1222971475 MJWMFSFBPUNBSL-QAPCUYQASA-N 315.461 4.620 30 20 DJED N#CCc1ccc(CSCc2ccc3ncccc3c2)cc1 1261424891 IJIMUVYYSJRFBJ-UHFFFAOYSA-N 304.418 4.734 30 20 DJED Cc1ccccc1[C@@H]1C[C@@H](C)N([C@H](C)c2cccc(C#N)c2)C1 1307487550 BHPMGEBSYHOIAJ-MBOZVWFJSA-N 304.437 4.806 30 20 DJED COc1cc(CN[C@@H](CC(C)(C)C)c2ccccc2)ccc1C#N 1308201479 JGENWDNZCCFRBJ-IBGZPJMESA-N 322.452 4.834 30 20 DJED Cc1ccccc1[C@@H](CC(F)(F)F)N[C@H](C)CC(C)(C)C#N 1308725469 ZLYCYTCYCQKJOV-UKRRQHHQSA-N 312.379 4.907 30 20 DJED Cc1cc(Cl)c(-c2nnc(-c3ccc(C#N)cc3)o2)cc1C 1324098729 BQFBYQHEIRWWLK-UHFFFAOYSA-N 309.756 4.546 30 20 DJED C[C@@H](CCCc1ccccc1)C(=O)O[C@@H](C)c1cccc(C#N)c1 1435509205 YGZFHVRYIXMSDX-IRXDYDNUSA-N 321.420 4.821 30 20 DJED Cc1ccccc1[C@H](Nc1cncc(C#N)n1)[C@H]1CCC[C@H](C)C1 1458173997 VNQOWFLWEQLQOY-DKICVRJWSA-N 320.440 4.636 30 20 DJED COc1cc(OCc2c(C)ccc3ccccc23)ccc1C#N 1473022834 OBXUQAUWWDFXFM-UHFFFAOYSA-N 303.361 4.608 30 20 DJED CC[C@@H]1CCC[C@H](CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 1474326849 NDGOQDJHIXXARR-ZFMNYDKASA-N 310.485 4.975 30 20 DJED Cc1ccc(C#N)cc1C(=O)N(c1ccccc1)C1CCCCC1 1517863217 JQSADOOSRWZJOT-UHFFFAOYSA-N 318.420 4.846 30 20 DJED N#Cc1cccc(N(C(=O)C2CCCCCCC2)C2CCC2)c1 1528693039 JEOMTEMDVORDGP-UHFFFAOYSA-N 310.441 4.804 30 20 DJED C[C@H]1C[C@@H]1c1ccc(CNc2nc(C(C)(C)C)ccc2C#N)o1 1559074742 DIOFCHVFRQBRLX-WFASDCNBSA-N 309.413 4.579 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)CCC3CCC3)c2C#N)[C@@H](C)C1 1583690737 SFTSLOGCDRZBLE-RYUDHWBXSA-N 316.470 4.824 30 20 DJED CC(C)CN(Cc1cccc2cccnc12)c1ccc(C#N)cc1 1616013376 JNCZZZXNKUEWDO-UHFFFAOYSA-N 315.420 4.769 30 20 DJED Cc1ccc2oc(N(Cc3ccc(C#N)cc3)CC(C)C)nc2c1 1639364299 RZBUQAHHTJLDLU-UHFFFAOYSA-N 319.408 4.671 30 20 DJED N#Cc1nc(N[C@H]2CC[C@H](c3cccc(F)c3)C2)sc1Cl 1642658643 HFKDHYWAQNFZLL-JQWIXIFHSA-N 321.808 4.555 30 20 DJED N#Cc1nc(N[C@H](C2CCCCC2)C2CCC2)sc1Cl 1651180287 UMOUZBSZEQGNTP-CYBMUJFWSA-N 309.866 4.829 30 20 DJED CCOc1cc(C#N)ccc1OC/C=C\c1ccc(Cl)cc1 1652403478 OGEUVIUFNRIJGT-ARJAWSKDSA-N 313.784 4.703 30 20 DJED CC[C@@H](S[C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1 1652714452 CTTNGHDCVNEQRC-RDTXWAMCSA-N 324.449 4.770 30 20 DJED C[C@@H](CN[C@@H]1CCc2cc(C#N)ccc21)c1cccc(Cl)c1 1657986948 ISNVRHPGNQQZHA-ORAYPTAESA-N 310.828 4.592 30 20 DJED N#C[C@@H]1CC[C@H](N[C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)C1 1658379511 YQCQIXINZKLVKG-SIUPPRGNSA-N 302.849 4.648 30 20 DJED CCOc1ccc(C#N)cc1NCc1ccc(OCC(C)C)cc1 1662601413 XGXKQCWJFKJZPS-UHFFFAOYSA-N 324.424 4.604 30 20 DJED CCC1(CC)CCCN(C(=O)Nc2ccc(F)cc2C#N)CC1 1669068226 TVNHVLJPJHSTKY-UHFFFAOYSA-N 317.408 4.522 30 20 DJED CC(C)Cc1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)s1 1776339771 OFAMRQPHDJSAQH-WEVVVXLNSA-N 314.406 4.541 30 20 DJED CCN(C(=O)c1cccc(CC#N)c1)c1ccc2ccccc2c1 50380428 MMMKFCVCGFANMB-UHFFFAOYSA-N 314.388 4.573 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1ccccc1Cl 63469721 VPVQXNXJZQEZDS-UHFFFAOYSA-N 300.789 4.611 30 20 DJED C=CCN(CCc1ccccc1)Cc1cc(-c2cccs2)on1 65959631 JTXWCODGPNYPHV-UHFFFAOYSA-N 324.449 4.634 30 20 DJED C=CCCO[C@@H](C)C(=O)Nc1c(C(C)C)cccc1C(C)C 69312246 ASCWLNUQHKINHJ-HNNXBMFYSA-N 303.446 4.853 30 20 DJED Cc1csc(-c2cccc(NCc3ccc(F)c(C#N)c3)c2)n1 124324558 HGPDGAFUSQWMME-UHFFFAOYSA-N 323.396 4.741 30 20 DJED C[C@H](NCc1ccc(F)c(C#N)c1)c1cccc2ccccc12 136232035 VVMDZWLBVFQNDX-AWEZNQCLSA-N 304.368 4.701 30 20 DJED N#Cc1ccc(Cl)cc1N[C@@H]1CCO[C@@H](c2ccccc2)C1 160584455 XDKXFKDXKJXGCR-SJLPKXTDSA-N 312.800 4.544 30 20 DJED CC(C)(C#N)CCCSc1nnc(-c2ccc(Cl)cc2)o1 177181287 ZEBFTZZCSWSBLA-UHFFFAOYSA-N 321.833 4.812 30 20 DJED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1c(F)cccc1Cl 182000000 PORQHQOIULGSFT-NEPJUHHUSA-N 302.780 4.763 30 20 DJED O=C(/C=C\c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 211812334 RHVKVAKONVKVME-BAQGIRSFSA-N 322.147 4.798 30 20 DJED CC1(C)C(O)=Nc2cc(/C(O)=N/[C@@H]3CCCCC3(C)C)ccc21 328922089 UHQVABUOVXWEIZ-OAHLLOKOSA-N 314.429 4.839 30 20 DJED N=C(O)C1(/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CCCCC1 329038014 ZKXLJZYEIWLNBU-RRFJBIMHSA-N 306.450 4.788 30 20 DJED N=C(O)C1(C/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CCCC1 329170505 KBCSMGWUCNDBJJ-SOUVJXGZSA-N 306.450 4.645 30 20 DJED CC(C)=CCSc1c(C#N)cnc2c(F)c(F)c(F)cc12 343085824 IIKCCAXXXZBSFF-UHFFFAOYSA-N 308.328 4.582 30 20 DJED N#CCC1(CNCc2ccc(Sc3ccccc3)cc2)CC1 430023925 PRALVFJOIIWQCN-UHFFFAOYSA-N 308.450 4.621 30 20 DJED N#Cc1ccccc1SCc1ccccc1OCC(F)(F)F 439715495 FGUDMDCHGLIOMC-UHFFFAOYSA-N 323.339 4.792 30 20 DJED C=CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccccc1 487762840 RTJCFMIIOUXTCF-MRXNPFEDSA-N 324.380 4.510 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc(OC(C)C)cc1)c1ccccc1 488673295 HAUFFFQMYMSETA-LJQANCHMSA-N 309.409 4.772 30 20 DJED N#Cc1cnccc1/C=C/c1ccc(Br)c(Cl)c1 504719934 FXFXFZOXCKPICQ-HNQUOIGGSA-N 319.589 4.540 30 20 DJED N#Cc1csc(CN2CCC[C@H]2c2ccc(Cl)cc2)c1 507172004 YMXAVTXOQDDDNM-INIZCTEOSA-N 302.830 4.610 30 20 DJED C[C@H](C1CCCCC1)N(C)C(=O)C[C@H](CC#N)c1ccccc1 512746756 NSABNGHXKZDEAF-APWZRJJASA-N 312.457 4.501 30 20 DJED C=CCCO[C@H](C)C(=O)N[C@H](CC(C)C)c1ccc(Cl)cc1 525026606 CZAKZXLMEKRDOH-RHSMWYFYSA-N 323.864 4.525 30 20 DJED CC(C)Sc1cccc(Cl)c1CN1CCC(CC#N)CC1 527526198 IVDJVQRIAMNTJT-UHFFFAOYSA-N 322.905 4.966 30 20 DJED Cc1cc2cc(CN[C@H](C)c3ccc(C#N)cc3)oc2cc1C 530913079 DHTKTVYENGGMDE-OAHLLOKOSA-N 304.393 4.772 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc2ccccc2n1 531951317 BADPQEJXTJSYAP-CABCVRRESA-N 301.393 4.518 30 20 DJED Cc1cc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)ccc1F 536973092 JUOFBXMIGTVTJA-UHFFFAOYSA-N 316.401 4.617 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC=CC[C@H]1C 551193633 LJQINNPDQYLHJB-TZMCWYRMSA-N 309.862 4.518 30 20 DJED CC(C)c1ccoc1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 551605196 WTGJPYLHJAEULS-KRWDZBQOSA-N 324.424 4.695 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1CC2(CCC2)C1 576400353 HTNBDKTUUTZQFZ-ZDUSSCGKSA-N 314.454 4.600 30 20 DJED Cc1csc(NC(=O)c2oc3c(C)cccc3c2C)c1C#N 579641269 HAJSPNFKHKSOCN-UHFFFAOYSA-N 310.378 4.544 30 20 DJED C[C@@H](Nc1ccc(Oc2cccnc2)cc1)c1cccc(C#N)c1 589053691 CKKQRBPVPKACSO-OAHLLOKOSA-N 315.376 4.919 30 20 DJED C[C@H](CCC#N)CN[C@@H](c1ccc(F)cc1)c1cccs1 602501271 DYCGYPKTAOBIDD-DYVFJYSZSA-N 302.418 4.506 30 20 DJED CCCN(C(=O)c1cccc(CC#N)c1)[C@@H](CC)c1ccccc1 603737810 UEFKXBIULIMQGV-FQEVSTJZSA-N 320.436 4.756 30 20 DJED C=CCCN(Cc1ccccc1)[C@H]1CCOc2ccc(OC)cc21 607750222 WAXLMRPDASAKSK-FQEVSTJZSA-N 323.436 4.597 30 20 DJED C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(F)c(Cl)c1 619746876 PUMBKYCGMLJLOP-SNVBAGLBSA-N 323.198 4.855 30 20 DJED CCCCCCC[C@H](C)CNC(=O)c1cc2c(s1)CCOC2 728468852 RDRJTCPLKUSVML-AWEZNQCLSA-N 323.502 4.547 30 20 DJED C[C@@H](CC#N)OC(=O)c1sc2cccc(Cl)c2c1Cl 733710029 OHUQVZZFWQITHH-ZETCQYMHSA-N 314.193 4.667 30 20 DJED Cc1csc([C@@H](C#N)C(=O)[C@@H](CC2CCCCC2)C(C)C)n1 734704675 VUSSHOZHGDBSJN-HOTGVXAUSA-N 318.486 4.870 30 20 DJED CCN(CC)c1ccc(/C=C/C(=O)c2ccsc2)cc1F 739424711 KLSBUMVWUVXXDS-SOFGYWHQSA-N 303.402 4.630 30 20 DJED COc1ccc(/C=C2\CCc3sccc3C2=O)cc1Cl 741466687 AXWNTTKJCKGPFQ-DHZHZOJOSA-N 304.798 4.623 30 20 DJED Cc1cc(C(=O)/C=C/c2ccc(O[C@H](C)C#N)cc2)cc(C)c1F 741468763 XWEBSKCSANEVNS-RZIFZGNASA-N 323.367 4.630 30 20 DJED C=C(C)CCOC(=O)c1csc(-c2ccccc2Cl)n1 744303761 UTLKEGQAWHBQOE-UHFFFAOYSA-N 307.802 4.587 30 20 DJED Cc1ccc2cc(C(=O)/C=C/c3cnc(Cl)c(C)c3)oc2c1 754831192 XSGBWJLIGVZGCY-GQCTYLIASA-N 311.768 4.994 30 20 DJED O=C1/C(=C\c2ccc(O)c(Cl)c2)Cc2ccc(Cl)cc21 762446653 KNPNFUSADHKHCS-WZUFQYTHSA-N 305.160 4.521 30 20 DJED O=C(/C=C/c1ccc(SC(F)(F)F)cc1)c1cscn1 769261717 VFCDFGMZEXJJQC-ZZXKWVIFSA-N 315.341 4.651 30 20 DJED C#CC[C@H](NCc1c(Cl)cccc1Cl)c1ccccc1 775400277 YHPABJKJXRIKQC-KRWDZBQOSA-N 304.220 4.848 30 20 DJED C=CCSc1ccccc1C(=O)NCC(CC)(CC)SC 776851193 WKYNKRLWZHOQHL-UHFFFAOYSA-N 323.527 4.616 30 20 DJED O=C(/C=C/c1cscc1Br)c1ccc(F)cc1 794690837 KXBPANDNQRVCQQ-ZZXKWVIFSA-N 311.175 4.546 30 20 DJED C[C@@H](Nc1nc(Cl)c(C#N)s1)c1c(F)cccc1Cl 804530718 KMRQLMKIUJVNQT-ZCFIWIBFSA-N 316.188 4.634 30 20 DJED O=C1/C(=C/c2cccc3ccccc23)Cc2nc(Cl)ccc21 806578100 NGHWKTMOOHVRLN-GXDHUFHOSA-N 305.764 4.711 30 20 DJED Cc1cc(Cl)cc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)c1O 808680939 QVKGWTXYAWUWOJ-OLZOCXBDSA-N 314.816 4.638 30 20 DJED Cc1cc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2F)ccc1Cl 814191438 PXECMTAUZNICDN-XVNBXDOJSA-N 319.719 4.592 30 20 DJED Cc1ccc([C@H](C)Nc2cc(C(F)(F)F)cnc2C#N)s1 840249370 QBGLOEUNUVZMGI-VIFPVBQESA-N 311.332 4.515 30 20 DJED CCCC[C@](C)(F)C(=O)Nc1ccccc1SC[C@@H](C)C#N 857585928 JDDIFHBSNGWCCO-GUYCJALGSA-N 322.449 4.795 30 20 DJED O=C(/C=C/c1ccc2c(c1)CCO2)c1ccccc1C(F)(F)F 917517654 UVOZSWIKOWKWMN-FNORWQNLSA-N 318.294 4.536 30 20 DJED Cc1ccc(C[C@@H](N[C@@H](C)CC(C)(C)C#N)c2ccccn2)cc1 925078394 LPWNHJITGBPHKJ-FXAWDEMLSA-N 321.468 4.592 30 20 DJED CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1C#N 1130936845 PVAOQTWIIQQQLO-DLBZAZTESA-N 324.811 4.516 30 20 DJED N#Cc1ccc(CCN(Cc2cccc(F)c2)C2CCCC2)cc1 1167982663 FUELJYHJDGEYER-UHFFFAOYSA-N 322.427 4.685 30 20 DJED N#Cc1ccc(Sc2nc(C3CCCCC3)cs2)nc1 1187415474 SZWTVXIUEWCXFQ-UHFFFAOYSA-N 301.440 4.609 30 20 DJED Cc1cc(CN(Cc2ccccc2)CC(C)(C)C)ccc1C#N 1204441369 KUOTUDFNRHHMKK-UHFFFAOYSA-N 306.453 4.915 30 20 DJED Cc1c(C#N)c(S[C@@H](C)c2cccc(F)c2)nc2c1CCC2 1307272337 MWYNPIMXKDUMQS-LBPRGKRZSA-N 312.413 4.743 30 20 DJED CCCCCCCc1nnc(CSc2ccccc2OC)o1 1324229425 TZRCZKZGBKAXTG-UHFFFAOYSA-N 320.458 4.883 30 20 DJED C=CCC(C)(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)o1 1327366406 ZWKHWZGWQGNAIY-NSHDSACASA-N 306.793 4.717 30 20 DJED Cc1ccc(C(=O)/C=C/c2ncc(-c3ccccc3)[nH]2)cc1C 1327444241 WRIJVPILYZAUBC-ZHACJKMWSA-N 302.377 4.590 30 20 DJED Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H](CCC#N)c1ccccc1 1337800509 NLBMKPHEGUERQU-NJAFHUGGSA-N 320.436 4.884 30 20 DJED C[C@@H]1CCc2c(sc(NC(=O)C[C@@H]3CCC[C@H]3C)c2C#N)C1 1349230608 SKWMDRBARDEPIC-UPJWGTAASA-N 316.470 4.509 30 20 DJED C=C(Cl)CSc1nnc(Nc2cccc(C)c2C)s1 1472970584 GCSOEKJQTJHAQO-UHFFFAOYSA-N 311.863 4.743 30 20 DJED CC(C)Cc1cccc([C@@H](C)C(=O)Nc2ccc(F)cc2C#N)c1 1515018344 ZJFMYCGBKAPUFC-CQSZACIVSA-N 324.399 4.638 30 20 DJED CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1537997616 SHKDAIIBCVNVFE-RDTXWAMCSA-N 320.392 4.725 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1ccc(Cl)c2occc12 1540016992 UBZJSUVXVCEFHD-UHFFFAOYSA-N 310.740 4.519 30 20 DJED CC(C)(C)c1ccc(C2CCN(c3ncccc3C#N)CC2)cc1 1559194725 CYNWDPQZRCXWPP-UHFFFAOYSA-N 319.452 4.635 30 20 DJED C[C@H](NC[C@H](C)CCC#N)c1cccc(OCc2ccccc2)c1 1560803163 OECQFTPTLKTKAZ-MSOLQXFVSA-N 322.452 4.856 30 20 DJED N#Cc1nc(Sc2nc3cccc(F)c3s2)ccc1Cl 1612806926 KEWKCBKSIQXYFX-UHFFFAOYSA-N 321.789 4.507 30 20 DJED CC[C@H](C)N(CCc1ccccc1F)Cc1ccc(C#N)c(C)c1 1621182651 JRFNDKWFGDGSSI-KRWDZBQOSA-N 324.443 4.849 30 20 DJED Cc1ccc(N(CCC#N)C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 1631761784 DTEMBVLWZZZLPP-IPMKNSEASA-N 324.468 4.848 30 20 DJED N#Cc1c(F)cccc1N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 1650706097 HBMOQFNTFYOHSX-BZNIZROVSA-N 320.289 4.684 30 20 DJED N#Cc1cccc(CN2CCC[C@@H](CCCc3ccccc3)C2)c1 1652944564 QKKFPTZXLUPSAD-HXUWFJFHSA-N 318.464 4.793 30 20 DJED CC(C)c1ccc(C(=O)/C=C/c2cc(C(=O)O)ccc2F)cc1 1776370453 HMPFTQZSZYEEFJ-CSKARUKUSA-N 312.340 4.543 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCC(C)(C)c1ccccc1 1776782403 VIZKLOKQZFFGQO-GOSISDBHSA-N 319.489 4.758 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1ccc(CC)s1 1776784314 UDIXMLBBALMBII-CQSZACIVSA-N 311.491 4.604 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)cc1 16405962 JDODSYGMSNQRGI-PKNBQFBNSA-N 317.319 4.853 30 20 DJED C[C@@H](Nc1ccc(OCC(F)(F)F)cc1)c1ccc(C#N)cc1 78972653 WBGZATZFJYKNQL-GFCCVEGCSA-N 320.314 4.672 30 20 DJED CCCCCCC[S@@](=O)Cc1nc(-c2ccccc2)oc1C 132865796 MDENUFDCSXJFSG-QFIPXVFZSA-N 319.470 4.869 30 20 DJED C[C@H](C#N)CSc1ccccc1NCc1ccc(Cl)nc1 178387898 TUQPQEOTTGJUQS-GFCCVEGCSA-N 317.845 4.599 30 20 DJED N#CCc1ccc(NCc2cc(Cl)cc3cccnc23)cc1 185155250 AGKHRNSBBPYVDC-UHFFFAOYSA-N 307.784 4.566 30 20 DJED CC(C)c1ccc(C(=O)Nc2sccc2C#N)cc1Cl 191799614 GOBJAZWSTOFZNR-UHFFFAOYSA-N 304.802 4.649 30 20 DJED C[C@@H]1CC(O)=N[C@H](/C(O)=N/C(C)(C)CC2CCCCCC2)C1 329017770 RHSNBKNLPSEUFJ-ZFWWWQNUSA-N 308.466 4.837 30 20 DJED C[C@@H]1C[C@H](/C(O)=N/[C@H](CC2CCC2)c2ccccc2)CC(O)=N1 329651959 DAXXUNOQCAZKNA-XOKHGSTOSA-N 314.429 4.629 30 20 DJED CC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1F 353280084 ZTEUEBDNWMURDT-RBUKOAKNSA-N 312.363 4.565 30 20 DJED CC(C)CCN(CCC#N)Cc1c(Cl)ccc2cccnc12 358620668 ZQDIGXUJLPDGFP-UHFFFAOYSA-N 315.848 4.650 30 20 DJED N#CCc1ccc(CSc2nc(-c3ccccc3)co2)cc1 436255270 UPWKTHJMLXENQN-UHFFFAOYSA-N 306.390 4.700 30 20 DJED N#C[C@H]1CCC[C@H](NC2(c3cccc(C(F)(F)F)c3)CCC2)C1 447584431 GAIXWPZZCMQNMJ-BBRMVZONSA-N 322.374 4.757 30 20 DJED Cc1ccccc1[C@H](NC(=O)CCCC#N)[C@H]1CCC[C@H](C)C1 462076136 STFGTWQDABFXLD-RIFZZMRRSA-N 312.457 4.673 30 20 DJED C=CCCC1(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 483479534 VAYWIMCLNYMJFH-CQSZACIVSA-N 314.454 4.623 30 20 DJED Cc1cc(CN[C@@H](C)c2cc3ccccc3s2)ccc1C#N 488319871 LNGYBMMIYQIQTI-AWEZNQCLSA-N 306.434 4.932 30 20 DJED C=CC[C@H](C(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 489749630 HKJZUXOIEDZFDC-HNNXBMFYSA-N 310.784 4.510 30 20 DJED N#Cc1nnc2ccccc2c1Oc1ccc(-c2ccccc2)cc1 524843074 QGRFWRUUUCUATP-UHFFFAOYSA-N 323.355 4.961 30 20 DJED C=CCC[C@@H](Nc1ncccn1)c1ccc(C(F)(F)F)cc1 535329397 LDWUWQLSCAXTIQ-CQSZACIVSA-N 307.319 4.615 30 20 DJED C=CC[C@H](C)N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C 540174737 WGOABCBXJSXYCY-QWHCGFSZSA-N 316.470 4.742 30 20 DJED C=CCC(CC=C)c1nc(C(F)(F)c2ccc(F)cc2)no1 544436525 ORCRERBSBQHHEG-UHFFFAOYSA-N 308.303 4.585 30 20 DJED C[C@@H](CCSc1ccccc1)N[C@H](C)c1ccc(C#N)cc1 554849391 YUZCPVFQPNXXPB-JKSUJKDBSA-N 310.466 4.780 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1C[C@H]1c1ccccc1 582632728 CRSUFVRZEOPEFP-RTWAWAEBSA-N 323.484 4.646 30 20 DJED C=CCOc1cccc(NC(=O)C[C@@H](C)c2ccccc2F)c1 588368382 ZKZWWONVEYWRNY-CQSZACIVSA-N 313.372 4.523 30 20 DJED C=CCOc1cccc(NC(=O)[C@H](C)c2ccc(CC)cc2)c1 589907011 ONUPEYHAMPUUTG-OAHLLOKOSA-N 309.409 4.556 30 20 DJED C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1cc2ccccc2o1 594925299 VSQJEKMSBMYRFL-OAHLLOKOSA-N 316.404 4.839 30 20 DJED C[C@H](N[C@H]1CCc2cc(F)c(Cl)cc21)c1cccc(C#N)c1 599026471 BBYMAKHOBDVYJZ-VOJFVSQTSA-N 314.791 4.689 30 20 DJED N#Cc1ccccc1CSCc1cc(-c2cccs2)on1 609900129 LUTIUWRIUXAYHY-UHFFFAOYSA-N 312.419 4.708 30 20 DJED Cc1cccnc1[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)C(C)C 611392866 RGAXDGYEHQEJDD-PMACEKPBSA-N 319.452 4.626 30 20 DJED CC(=NNc1cccc(C(F)(F)F)c1)c1sc(C)nc1C 726737213 BLNVZMXXNKAARF-UHFFFAOYSA-N 313.348 4.615 30 20 DJED C#Cc1cccc(N(C)C(=O)C2(c3cccs3)CCCCC2)c1 737541716 RFZDCVSHHPGBOB-UHFFFAOYSA-N 323.461 4.594 30 20 DJED Cc1cc(C)c2c(c1)C(=O)/C(=C\c1nccc3ccccc13)CO2 740765352 XKELQTLXEOOSLS-WJDWOHSUSA-N 315.372 4.510 30 20 DJED CCCCCCCCCC(=O)N1CCSc2ncccc21 741956946 KTXHTWFRYLNXFF-UHFFFAOYSA-N 306.475 4.661 30 20 DJED CCCCOc1ccc(/C=C/C(=O)c2ccc3c(c2)COC3)cc1 742436569 LUYWXKGQIDMOFB-IZZDOVSWSA-N 322.404 4.792 30 20 DJED N#C[C@H](OC(=O)c1cc2sc3ccccc3c2s1)C1CC1 751177957 IZUVYGSSMWWMIL-NSHDSACASA-N 313.403 4.575 30 20 DJED C=CCCCOC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 751710604 QNJBSZROUQDXCX-YPXDRJKUSA-N 316.363 4.645 30 20 DJED CC1(CC(=O)[C@H](C#N)c2ccc3ccccc3n2)CCCCC1 753537551 RFRVWVGKRYINEL-MRXNPFEDSA-N 306.409 4.772 30 20 DJED Cc1ccc2cc(C(=O)/C=C\c3ccc(F)c(C#N)c3)oc2c1 754831135 WUVZSEHDTRWPBX-DAXSKMNVSA-N 305.308 4.648 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2c(Cl)cccc2Cl)s1 762441648 ANEGOEDQNHPCNR-WAYWQWQTSA-N 308.189 4.823 30 20 DJED CC(=NNc1ccc(C#N)c(Cl)c1)c1csc(C(C)C)n1 768781679 KERAKFIYQWPJSK-UHFFFAOYSA-N 318.833 4.628 30 20 DJED COc1ccc(/C=C\C(=O)c2occc2C)cc1OCC(C)C 769784006 MKYVOWUUKCYSNK-ALCCZGGFSA-N 314.381 4.528 30 20 DJED CCCCCCCCc1nnc(NCc2cscn2)s1 777508394 MSCKCMMVVVVMAD-UHFFFAOYSA-N 310.492 4.510 30 20 DJED CC[C@H]1CC[C@H](C(=O)[C@@H](C#N)c2ccc3ccccc3n2)CC1 783068387 SPCWZJWXMYWNAB-XIRDDKMYSA-N 306.409 4.627 30 20 DJED O=C1/C(=C/c2ccc([N+](=O)[O-])cc2Cl)CCc2sccc21 783705769 CUEXVSFDPUWBJI-JXMROGBWSA-N 319.769 4.522 30 20 DJED COc1ccc(OC)c(C(=O)/C=C/c2ccc(C(F)F)cc2)c1 794932531 WYEOJOLDGWUXQH-WEVVVXLNSA-N 318.319 4.538 30 20 DJED Cc1cc(Cl)ccc1CSCCCC1(C#N)CCOCC1 798401633 ZUCINGRCOBYMBP-UHFFFAOYSA-N 323.889 4.982 30 20 DJED O=C(/C=C/c1ccc2cnccc2c1)c1c(F)cccc1Cl 809158507 BDABXZPAGAHLFW-FNORWQNLSA-N 311.743 4.923 30 20 DJED COc1ccc(C(=O)/C=C/c2csc3ccccc23)cc1O 811697833 GYTUCSKZJZFAAC-SOFGYWHQSA-N 310.374 4.512 30 20 DJED CCCC(=NNc1cccc(C(F)(F)F)c1)c1ccccn1 814689942 NADSWMKAWAENMW-UHFFFAOYSA-N 307.319 4.717 30 20 DJED Cc1ccc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c(O)c1C 841763006 SWNMJMLTXNTAAZ-FOIQADDNSA-N 320.436 4.609 30 20 DJED C=CCC[C@H](N[C@@H](C)c1cccc(OC)c1O)c1ccccc1 846156993 QYYILOQFUGFWAB-YJBOKZPZSA-N 311.425 4.759 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)n1 850874223 WLBBMESTZKBZCS-KNCOVGOOSA-N 316.470 4.659 30 20 DJED CCN(C(=O)/C=C(\C)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 917645950 DRCXBLIDDNSRKX-FYPAKXHLSA-N 318.420 4.571 30 20 DJED CCC(CC)[C@@H](C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1126485150 ICFKIUFZCDFGHF-SNVBAGLBSA-N 312.335 4.588 30 20 DJED CCCN(Cc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 1191854489 XYZPXEXSTNHFTJ-UHFFFAOYSA-N 302.780 4.767 30 20 DJED CC(C)(C)CN(CC(C)(C)C)C(=O)c1ccc(C#N)c(Cl)c1 1266986158 RWHFOJSVXVCFBY-UHFFFAOYSA-N 320.864 4.746 30 20 DJED O=C(/C=C/c1ncc(-c2ccccc2)[nH]1)c1ccccc1Cl 1324737621 YRPICDAVZJBDLN-ZHACJKMWSA-N 308.768 4.626 30 20 DJED C[C@@H](CCC#N)CNc1ccc(F)c(NC(=O)OC(C)(C)C)c1 1330620622 FYRQVOXPRRKONK-LBPRGKRZSA-N 321.396 4.524 30 20 DJED Cc1ccc(C)c(N(C(=O)c2cc(C#N)ccc2C)C(C)C)c1 1357456784 QZUGKBBFHYBIPO-UHFFFAOYSA-N 306.409 4.539 30 20 DJED CCCC[C@@H](C(=O)N(c1ccc(C#N)cc1)C1CCC1)C(C)C 1437968167 VHLYDZQZKYPPLD-LJQANCHMSA-N 312.457 4.906 30 20 DJED C[C@H](Sc1ccnc(C#N)c1)c1cccc(Br)c1 1472795250 UXCWIMFYARSMDM-JTQLQIEISA-N 319.227 4.569 30 20 DJED COc1cccc([C@@H](C)SCc2ccc(OCC#N)cc2)c1 1473003536 GZLJSNXFPVLCRD-CQSZACIVSA-N 313.422 4.592 30 20 DJED CCC(CC)CN(CCC#N)Cc1cccc(C(F)(F)F)c1 1473203299 CCUKEDICSJUZFP-UHFFFAOYSA-N 312.379 4.857 30 20 DJED CC[C@@H](CN(CC)Cc1cc(C#N)ccc1OC)c1ccccc1 1473404603 UPKPVIPODYLMCU-SFHVURJKSA-N 322.452 4.583 30 20 DJED C[C@H](CC(=O)N(c1cccc(C#N)c1)C1CCC1)CC(C)(C)C 1528692731 HOCWBVAYIYMEBM-OAHLLOKOSA-N 312.457 4.906 30 20 DJED Cc1ccc(-c2ncc(CNc3cc(C)cc(C#N)c3)s2)cc1 1560504396 SXFXTSHAKIDHHU-UHFFFAOYSA-N 319.433 4.911 30 20 DJED C[C@H](CCc1ccc(C(F)(F)F)cc1)NCC(C)(C)CC#N 1621384317 MTGAWFDLGOYRBT-CYBMUJFWSA-N 312.379 4.556 30 20 DJED Cc1cc(C#N)cc(NC(=O)N[C@H](CC(C)C)c2ccccc2)c1 1625598697 OVYHBYVWKXVJIO-LJQANCHMSA-N 321.424 4.776 30 20 DJED CN(CC(C)(C)C#N)C(=O)C1(C2CCCCC2)CCCCC1 1628353296 YRZCVMYPUWCYGB-UHFFFAOYSA-N 304.478 4.525 30 20 DJED C[C@@H]1CCCC[C@H]1CSc1nc(C(F)(F)F)ccc1C#N 1641069094 TXYVQAXJKJATIQ-PWSUYJOCSA-N 314.376 4.890 30 20 DJED CCC(CC)(CC)CNc1c(Br)cccc1C#N 1642430500 AJMOWVNBPFTAIR-UHFFFAOYSA-N 309.251 4.949 30 20 DJED N#Cc1cc2c(nc1SCc1sccc1Cl)CCCC2 1643615385 ISRCUFDQXXIXRT-UHFFFAOYSA-N 320.870 4.839 30 20 DJED N#Cc1cc(Cl)ccc1SCc1cc(-c2ccco2)on1 1643746894 SMLOHDRSIAHEDS-UHFFFAOYSA-N 316.769 4.752 30 20 DJED CC1(C)CCC[C@H](CNc2c(Br)cccc2C#N)C1 1651151577 YDWCSIBKRWGPCH-LBPRGKRZSA-N 321.262 4.949 30 20 DJED Cc1nc(N[C@@H]2C[C@H]2c2ccccc2Cl)c(Cl)cc1C#N 1652051777 IWAILIQDQVNKLI-SWLSCSKDSA-N 318.207 4.537 30 20 DJED CC[C@H](c1ccccc1)N(CC)Cc1cc(C#N)ccc1OC 1653256091 VLQPYZYFTYPXDD-LJQANCHMSA-N 308.425 4.540 30 20 DJED C=C(Cl)CN[C@H](c1ccc(Br)cc1)C1CCC1 1653925890 ZZCMSNGHXGMTTB-AWEZNQCLSA-N 314.654 4.632 30 20 DJED C=C(Cl)CNCc1cccc(OCc2ccccc2Cl)c1 1655687663 HQTPOOWEZQRAOC-UHFFFAOYSA-N 322.235 4.761 30 20 DJED CC(C)c1ccc(C[C@@H](C)NCc2ccc(C#N)cc2F)cc1 1655926015 PQYTZGDPHDGJBT-OAHLLOKOSA-N 310.416 4.542 30 20 DJED COc1ccc2c(c1)C(=O)/C(=C/c1ccc3ccccc3c1)CO2 33984926 UFXOJFFIXZDTLD-GZTJUZNOSA-N 316.356 4.507 30 20 DJED Cc1cccc(Oc2ccc(NC(=O)N(C)[C@H](C)CC#N)cc2)c1 86280903 FMIZAHWFWCKUEV-OAHLLOKOSA-N 323.396 4.553 30 20 DJED CCC[C@@H](C(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)C 121739358 QQWHKTQKOMPMLT-HUUCEWRRSA-N 318.486 4.949 30 20 DJED CCc1cc(C#N)c(NC(=O)Cc2ccc3ccccc3c2)s1 126787504 PTBSYZOXBPZYBZ-UHFFFAOYSA-N 320.417 4.517 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1c(C)cccc1Cl 132235768 MHXHDJDFPQDNNW-UHFFFAOYSA-N 314.816 4.869 30 20 DJED N#CCCCCSCc1cccc(OCC(F)(F)F)c1 161579076 CKWDRDRFFZTODM-UHFFFAOYSA-N 303.349 4.555 30 20 DJED CC(C)(C)[C@H](NCc1ccc(C#N)s1)c1cccc(F)c1 178614642 RPASYNVXVUNXCF-MRXNPFEDSA-N 302.418 4.636 30 20 DJED C=C(C)CN(C)C(=O)Nc1ccc(S[C@H](C)CC)cc1C 181664672 OHGRQMHNCWQOGW-CQSZACIVSA-N 306.475 4.925 30 20 DJED C[C@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccc(Cl)cc1 192933438 OAYUZGXPBXBELM-UONOGXRCSA-N 314.816 4.654 30 20 DJED C#CCCOc1ccc(CN[C@@H](c2ccccc2)C(C)C)cc1 236737699 LCWHBBUBRZFLSL-OAQYLSRUSA-N 307.437 4.576 30 20 DJED N#Cc1cc(Br)ccc1CSc1ccc(F)cc1 311191292 FTSGNEXHERJKMY-UHFFFAOYSA-N 322.202 4.752 30 20 DJED CC[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)C1CCCCC1 315398564 GYLUZSKJCPOMSC-HNAYVOBHSA-N 300.446 4.598 30 20 DJED C[C@@H](/N=C(/O)C1CCCCC1)C(O)=Nc1scnc1C1CC1 328940662 SNKHPZLPJWRKMT-SNVBAGLBSA-N 321.446 4.534 30 20 DJED C[C@@]1(C(O)=Nc2ccc3nc(C4CC4)sc3c2)CCCOC1 329307267 PMVWJLHNZXJSAW-QGZVFWFLSA-N 316.426 4.578 30 20 DJED CC1(C)CCCC[C@@H]1/N=C(/O)C1CCC(/N=C(/O)C2CC2)CC1 330014253 MVYCWRKYZJLAFP-GPANFISMSA-N 320.477 4.837 30 20 DJED CC[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1c(C)noc1C 360646949 LACOBEOPPNZRDQ-MOPGFXCFSA-N 323.440 4.672 30 20 DJED C=CCCO[C@H](C)c1nc(-c2cccc(SCC)c2)no1 426576435 KJHDCCWBCUCRSK-GFCCVEGCSA-N 304.415 4.502 30 20 DJED N#C[C@@H](NC(=O)C1=CCCCCC1)c1c(Cl)cccc1Cl 481860256 HCQPCTZKOIINDK-CQSZACIVSA-N 323.223 4.565 30 20 DJED N#Cc1cccnc1/C=C\c1cnc(-c2ccc(Cl)cc2)s1 486078747 QLEUJRGPPFPZMO-FPLPWBNLSA-N 323.808 4.901 30 20 DJED C=C[C@@H]1CCCCN1Cc1ncc(-c2cccc(Cl)c2)o1 489502503 YRNNYXCIEKHKRX-OAHLLOKOSA-N 302.805 4.536 30 20 DJED C=CCN(CCc1ccco1)C(=O)Nc1ccc(C(C)C)cc1 491369405 UIZIINCPFYCBGB-UHFFFAOYSA-N 312.413 4.666 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)/C=C\C1CCCC1 493104263 JGLSQSZMTRKJMQ-BMSUMIBZSA-N 314.454 4.766 30 20 DJED N#Cc1csc(CN2CCC[C@H]2c2ccccc2Cl)c1 507174503 RONZUFFJTHQADB-INIZCTEOSA-N 302.830 4.610 30 20 DJED C=C(C)CNCc1nc(-c2cc(Cl)ccc2Cl)cs1 512390049 XRNCTDKYNGMLSK-UHFFFAOYSA-N 313.253 4.783 30 20 DJED C=C[C@H](CC(=O)N[C@H](C)c1cc(C)sc1C)c1ccccc1 534632137 OAGSKNOMJOOTJE-GDBMZVCRSA-N 313.466 4.902 30 20 DJED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(Oc2ccccc2)cc1 549535958 MUVUCOLQOPJPNF-JZXOWHBKSA-N 306.409 4.822 30 20 DJED N#C[C@@H]1CC[C@@H](N2CC=C(c3cccc4ccccc34)CC2)C1 555334432 WIDHVALTUFEFQE-VQIMIIECSA-N 302.421 4.621 30 20 DJED Cc1cc(C#N)cnc1C(=O)Nc1c(C(C)C)cccc1C(C)C 555419114 SPVYHEZZGFOMCP-UHFFFAOYSA-N 321.424 4.761 30 20 DJED N#CCc1ccc(COc2cnc3ccc(Cl)cc3c2)cc1 556287118 FMSVDTRBXYRQCX-UHFFFAOYSA-N 308.768 4.533 30 20 DJED CC(C)C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 579651839 IBERKTDXHQDQNZ-SFTDATJTSA-N 304.437 4.923 30 20 DJED CC[C@@H](CC#N)NCc1cnc(-c2ccc(C(C)C)cc2)s1 594011838 YLTKWASZFMZGGP-INIZCTEOSA-N 313.470 4.715 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)N[C@H](C)c1cccc(C#N)c1 610362329 PZGNQZBMIORIAF-CRAIPNDOSA-N 312.457 4.732 30 20 DJED C=CCCO[C@H](C)c1nc(-c2ccccc2SCC)no1 624692354 WRMBNPYNNWISAM-GFCCVEGCSA-N 304.415 4.502 30 20 DJED CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1Cl 727973552 QHBUTSWOYICUEF-UHFFFAOYSA-N 321.739 4.532 30 20 DJED Clc1ccc(OC2CCCC2)c(C=NNc2ccccn2)c1 743426308 MPHKILUBALKSRJ-UHFFFAOYSA-N 315.804 4.502 30 20 DJED CC(=NOCc1cccnc1)c1ccc2c(c1)Cc1ccccc1-2 746588020 IVAGRJLBNKTIPS-UHFFFAOYSA-N 314.388 4.594 30 20 DJED CCOc1cccc(C(=O)/C=C\c2cccc(OC(F)F)c2)c1 747061820 PNMFZAZFBCXLSF-KTKRTIGZSA-N 318.319 4.583 30 20 DJED O=C1/C(=C/c2cnc(C3CCC3)s2)Cc2c(F)ccc(F)c21 749589109 HPYAWDUVFDODFB-UXBLZVDNSA-N 317.360 4.511 30 20 DJED N#Cc1ccccc1/C=C1\Cc2c(ccc(Cl)c2Cl)C1=O 755592901 JVMIYSBUDXHROT-KPKJPENVSA-N 314.171 4.687 30 20 DJED O=C(/C=C\c1cccc(-c2ccccn2)c1)c1ccc(Cl)nc1 759084644 VPWOYYFGQIJZDB-CLFYSBASSA-N 320.779 4.693 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(Cl)nc1Cl)C2 761479345 ZWDYGSYHJQUFQX-XYOKQWHBSA-N 304.176 4.519 30 20 DJED Cc1cc2cc([C@@H](C)NCc3ccc(C#N)cc3)oc2cc1C 765013880 UFMPWCOHYVCHFG-OAHLLOKOSA-N 304.393 4.772 30 20 DJED CC(=NNc1nccnc1C(C)C)c1cc2ccccc2s1 773079430 ZQCJHGHTXMDTKD-UHFFFAOYSA-N 310.426 4.651 30 20 DJED C[C@H](C#N)Oc1ccccc1NCCCc1ccc(Cl)cc1 779739759 CLOWJGFZCGIHOV-CQSZACIVSA-N 314.816 4.676 30 20 DJED O=C1/C(=C/c2cscc2Cl)CCOc2cc(F)ccc21 781556521 YRQXUMYCSGPQDS-WEVVVXLNSA-N 308.761 4.589 30 20 DJED Cc1ccc(C(=O)/C=C\c2cc(Cl)cs2)cc1[N+](=O)[O-] 782306298 QCMLNURBUVNMSM-PLNGDYQASA-N 307.758 4.514 30 20 DJED Clc1ccc(C2CC(=NNc3nc4ccccc4[nH]3)C2)cc1 783787680 BXEGIJASLZLMQH-UHFFFAOYSA-N 310.788 4.562 30 20 DJED C=C(C)CNC(=S)N(CC(C)C)[C@H](C)c1ccccc1Cl 789361211 YXHPIDBLWWSEOA-CQSZACIVSA-N 324.921 4.810 30 20 DJED CC(C)N(C)c1ccc(/C=C/C(=O)c2csc(Cl)c2)cn1 790228088 MKOGTECEMQSABK-GQCTYLIASA-N 320.845 4.537 30 20 DJED C#Cc1cccc(NC(=O)N[C@@H](C)c2oc3ccccc3c2C)c1 790651949 SUKJLQNQOAWBQB-AWEZNQCLSA-N 318.376 4.605 30 20 DJED CCc1oc2ccccc2c1C=NOCc1ccc(C#N)cc1F 809863209 KIFSDBKGTLCOKT-UHFFFAOYSA-N 322.339 4.557 30 20 DJED C=CCC(F)(F)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C 815789395 ARJLIQFDHNGMCO-AWEZNQCLSA-N 322.399 4.524 30 20 DJED C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C#CC(C)(C)C 837333241 QOKLSPKFEKAZLU-LLVKDONJSA-N 312.240 4.562 30 20 DJED CCCCCCCC[C@H](C)Cc1nc(C2CCOCC2)no1 904583879 GLZORRNKRPFETQ-HNNXBMFYSA-N 308.466 4.893 30 20 DJED Cc1ccc(C(=O)/C=C\c2cc(Cl)ccc2OC(F)F)o1 915988602 XEPXGNJRXRSKMK-HYXAFXHYSA-N 312.699 4.739 30 20 DJED C=CCN(C(=O)Nc1cccc(C#Cc2cccs2)c1)C(C)C 916707322 WOKHYZOHAIWTIW-UHFFFAOYSA-N 324.449 4.576 30 20 DJED C[C@@H]1C[C@H](CCNc2ccc(Cl)c(C#N)n2)CC(C)(C)C1 1163192182 SRJXIVPLWYWAHT-OLZOCXBDSA-N 305.853 4.871 30 20 DJED CC(C)(C)[C@@H]1CCN(c2c(C#N)cnc3c(Cl)cccc23)C1 1185914980 RRCGXCLDUVPBAQ-CYBMUJFWSA-N 313.832 4.632 30 20 DJED N#Cc1cccc(C#N)c1N[C@H]1CCC[C@H](c2ccccc2)C1 1307113399 ZFPHGRXNLFGDJP-LPHOPBHVSA-N 301.393 4.568 30 20 DJED C[C@H](CCC#N)CN[C@H](c1c(Cl)cccc1Cl)C1CC1 1308804092 YQEAEQJZWBSNRZ-BZNIZROVSA-N 311.256 4.974 30 20 DJED C[C@H](Cc1ccccc1Cl)Nc1ccccc1O[C@H](C)C#N 1320288446 VTFIBQYWEDUPOB-ZIAGYGMSSA-N 314.816 4.674 30 20 DJED Cc1cccc2sc(C(=O)O[C@H]3CC[C@@H](C#N)C3)c(Cl)c12 1344605258 PCUIQJMKXAGIAV-MNOVXSKESA-N 319.813 4.712 30 20 DJED N#C[C@@]1(C(=O)Nc2ccc(-c3ccccc3)cc2)CC12CCCC2 1350805856 QPMWRTGVIRIPBG-OAQYLSRUSA-N 316.404 4.766 30 20 DJED Cc1c(Cl)cnc(N[C@H](C)c2c(F)cccc2Cl)c1C#N 1458234438 UPOIGLQGYQXPMR-SECBINFHSA-N 324.186 4.881 30 20 DJED C=C(Br)CN(C)c1ccccc1-c1ccccc1 1459681284 JHQHSQAMEQCJEB-UHFFFAOYSA-N 302.215 4.698 30 20 DJED C=C(CNC(=O)C1CCC(c2ccccc2)CC1)c1ccccc1 1535089019 UFCPDJQSILLTJU-UHFFFAOYSA-N 319.448 4.790 30 20 DJED Cc1ccc(COc2ccc(C#N)c(C)c2)cc1Br 1559406392 OBXJQQNBLUFLEP-UHFFFAOYSA-N 316.198 4.517 30 20 DJED C[C@@H](CC1CCCCC1)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 1584415347 QFRKHLHQMBCTEY-JKSUJKDBSA-N 312.457 4.684 30 20 DJED N#Cc1cc(NC(=O)c2ccc(C3=CCCC3)cc2)c(F)cc1F 1597374416 ZLKNMJFXMAFZEF-UHFFFAOYSA-N 324.330 4.656 30 20 DJED C[C@H](CSc1cc(C#N)ccn1)c1ccc(C(F)(F)F)cc1 1613475596 QOWQUSJLZNTLNO-LLVKDONJSA-N 322.355 4.868 30 20 DJED CC1(c2ccccc2)CCC(NCc2ccc(C#N)cc2)CC1 1620855914 TXOBOFRAQIQGQX-UHFFFAOYSA-N 304.437 4.548 30 20 DJED Cc1nnc(SCc2ccc(C3CCCC3)cc2)c(C#N)c1C 1640842344 TYSMSDAPRVHTOF-UHFFFAOYSA-N 323.465 4.915 30 20 DJED CC[C@H]1CCC[C@H]1NCc1ccc(-c2ccccc2C#N)cc1 1645283581 YDWAJCAZANJKJS-LAUBAEHRSA-N 304.437 4.894 30 20 DJED CCCc1ccc(CNc2cc(C#N)ccc2OC(C)C)cc1 1651183742 FIHJZUUAKKLBGS-UHFFFAOYSA-N 308.425 4.910 30 20 DJED CCC[C@@H]1[C@@H](C)CCCN1c1ccc(C#N)c(Br)c1 1655191556 GBILVASPYZSYMN-BLLLJJGKSA-N 321.262 4.726 30 20 DJED CC[C@@H](CC#N)NCc1ccc(N(CC)c2ccccc2)cc1 1657118764 NKBSEWKHDAUZTB-SFHVURJKSA-N 307.441 4.626 30 20 DJED CC(C)(C)CN(CCC#N)Cc1cccc(Oc2ccccn2)c1 1663717115 FQEUUZYXYUESQR-UHFFFAOYSA-N 323.440 4.636 30 20 DJED CC1(C)CC[C@@H](NC(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1670294985 WQMBNIRAJUWDQI-LLVKDONJSA-N 319.474 4.617 30 20 DJED CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 1672794746 SKJQIBQJBWNYRE-WBMJQRKESA-N 319.836 4.644 30 20 DJED O=C(/C=C/c1ccc(C(=O)O)c(F)c1)c1ccc2ccccc2c1 1776130938 BCXIMXSIZXOLCG-UXBLZVDNSA-N 320.319 4.573 30 20 DJED Cc1cc(/C=C\C(=O)c2ccc(C(=O)O)s2)ccc1C1CC1 1777420842 CGSDTFNUWVQCEE-CLTKARDFSA-N 312.390 4.528 30 20 DJED CCOc1cccc2cc(C(=O)/C=C/c3ccc(C#N)cc3)oc12 7716149 WIKVIXZAACHEMP-ZHACJKMWSA-N 317.344 4.599 30 20 DJED N#Cc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1 58184970 YTJZXTXNCWLPSR-UHFFFAOYSA-N 323.355 4.512 30 20 DJED CCC(CC)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 65852467 XWYKZPFWPUSOFF-UHFFFAOYSA-N 308.381 4.725 30 20 DJED C[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1-c1ccccc1C#N 104879716 STQQAQXBGDSKET-YWZLYKJASA-N 318.420 4.534 30 20 DJED CC(C)Oc1ccc(C(=O)/C=C/c2cccc(F)c2F)cc1 112570123 OVQDIQYZEWMPHC-DHZHZOJOSA-N 302.320 4.648 30 20 DJED CC1(C)Cc2cccc(CN[C@@H](CCC#N)c3ccccc3)c2O1 130548658 ZNYYELVEYLIVNX-IBGZPJMESA-N 320.436 4.535 30 20 DJED C[C@H](N[C@H](C)c1cc2ccccc2o1)c1ccc(OCC#N)cc1 188066781 OODVAAYGODQLJX-LSDHHAIUSA-N 320.392 4.747 30 20 DJED CC(=O)c1cc(Cl)c(Cl)cc1OCCCC(C)(C)C#N 193101128 HAODELGDVVVNBE-UHFFFAOYSA-N 314.212 4.905 30 20 DJED CSc1ccccc1C(=O)/C=C/c1ccc(O[C@H](C)C#N)cc1 194595225 MIWKTXIFDCRSBY-BRADTZPFSA-N 323.417 4.595 30 20 DJED C=CCN(C(=O)/C(C)=C/CC)c1nc(-c2ccccc2)cs1 207101014 BODBNAJINQIHJL-NTEUORMPSA-N 312.438 4.685 30 20 DJED CCCCCCCCC(=O)N1CCC(c2ccc(O)cc2)CC1 390870810 PWVNIBVLVQWEMD-UHFFFAOYSA-N 317.473 4.849 30 20 DJED CC(C)C(=O)Nc1ccc(OCCC2(C#N)CCCCC2)cc1 418908150 YXEGXSWEWCRIRU-UHFFFAOYSA-N 314.429 4.524 30 20 DJED N#C[C@@H]1CC[C@H](Sc2nc(-c3ccco3)nc3ccccc23)C1 430118618 DMURSAKWWUKQPB-OLZOCXBDSA-N 321.405 4.674 30 20 DJED COC(=O)c1cc([C@@H](C)SCCCCC(C)(C)C#N)oc1C 431078513 GHNRZLBUEVTHAE-CYBMUJFWSA-N 323.458 4.889 30 20 DJED CC[C@H](c1ccc(F)cc1)[S@](=O)CCCCC(C)(C)C#N 436108138 XJGFLBODQZGZRT-IIBYNOLFSA-N 309.450 4.746 30 20 DJED C[C@H](Nc1ccc(Oc2ccccn2)cc1)c1ccc(C#N)cc1 439597698 RQHLZRJPPWMRSJ-HNNXBMFYSA-N 315.376 4.919 30 20 DJED C=C[C@H](C)NC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 464756806 KMDVTAQDHUTHJA-HOTGVXAUSA-N 308.425 4.631 30 20 DJED C=CCN(CC=C)C(=O)N[C@@H](CC(C)C)c1ccc(Cl)cc1 465969712 RDKZYDQMJLCODU-KRWDZBQOSA-N 320.864 4.811 30 20 DJED Cc1ccc([C@@H](Nc2ccc(F)cc2C#N)c2ccccn2)cc1 480572176 BMEPMZRJHKTNDE-HXUWFJFHSA-N 317.367 4.602 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1cc(C)ccc1C 485021775 YMHCUVCDPDVFCJ-UHFFFAOYSA-N 300.446 4.904 30 20 DJED N#CCC[C@H](Nc1cnc(-c2ccccc2)cn1)c1ccccc1 488132621 VKGNXYAONRIAOK-SFHVURJKSA-N 314.392 4.601 30 20 DJED CC(C)(C)Oc1cc(F)ccc1NCc1cc(C#N)ccc1F 498390305 NDDWYDXQLMPQSC-UHFFFAOYSA-N 316.351 4.626 30 20 DJED C=CCCO[C@@H](C)C(=O)Nc1ccc(S[C@H](C)CC)cc1C 499727746 VEWAUCHPBSNEDO-CABCVRRESA-N 321.486 4.805 30 20 DJED N#Cc1ccc(N[C@H](c2ccccc2)[C@H]2CCCO2)cc1Cl 505779914 ZNHVTJAGLKYNJP-QZTJIDSGSA-N 312.800 4.544 30 20 DJED C[C@@H](CCc1c(F)cccc1F)N[C@H](C)c1ccc(C#N)cc1 510654489 YGJBXHIHWWVACK-UONOGXRCSA-N 314.379 4.508 30 20 DJED CC(C)(C#N)CCN[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 511813363 FEZHYBIUYGPUBB-CVEARBPZSA-N 324.390 4.871 30 20 DJED CC(C)(C)[C@H](NCc1cccc(C#N)c1)c1ccc(F)cc1F 531566957 JJCFDLYSKLQOMK-GOSISDBHSA-N 314.379 4.713 30 20 DJED CCCOc1ccc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 551816531 AELINUYDRIOGFJ-MRXNPFEDSA-N 320.436 4.687 30 20 DJED Cc1ccc(C)c([C@H]2CCCN2c2nccc(C#N)c2Cl)c1 557627541 MRCWXDVYIJKRQG-MRXNPFEDSA-N 311.816 4.565 30 20 DJED Cc1ccc(-c2nnc([C@H](C)SCC3(C#N)CCC3)o2)cc1 562824276 XUAFGDGGNQAFPL-ZDUSSCGKSA-N 313.426 4.533 30 20 DJED C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)o1 571018264 ODSDEQBPOPLVRL-UAOJZALGSA-N 320.436 4.832 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(Oc2cccnc2)cc1 574115880 WZTYFTVJQHMEJF-UHFFFAOYSA-N 308.381 4.581 30 20 DJED N#CCCCCCC(=O)Nc1ccc2nc(C3CC3)sc2c1 588154683 BULXAKLDFAQZLB-UHFFFAOYSA-N 313.426 4.586 30 20 DJED C=C(C)COc1cccc(NC(=O)[C@H](CC)c2ccccc2)c1 589385122 YQGDRGPLOKSFQE-LJQANCHMSA-N 309.409 4.774 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1coc(-c2ccccc2)n1 606198657 SROMKHSQFYGLQM-UHFFFAOYSA-N 324.424 4.550 30 20 DJED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1csc(Cl)c1 618804431 LFTZQBIKSKDPHQ-ZUZCIYMTSA-N 302.830 4.611 30 20 DJED CCCc1ccc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)s1 634012321 NADCJIRNULCGPY-LBPRGKRZSA-N 316.451 4.525 30 20 DJED CC(=O)c1c(C)cc(C)c(CN[C@H](C)c2cccc(C#N)c2)c1C 678764892 XAUGLZDFJVHRBS-MRXNPFEDSA-N 320.436 4.537 30 20 DJED Cc1ccc(C(=O)/C=C\c2cccc(OC(F)(F)F)c2)s1 727974185 HJEZKWIETILDQG-SREVYHEPSA-N 312.312 4.851 30 20 DJED C#Cc1cccc(N(C(=O)c2cc(Cl)ccc2F)C(C)C)c1 728247872 SYXLDWGFIUUQNC-UHFFFAOYSA-N 315.775 4.516 30 20 DJED C#Cc1cccc(N(C)Cc2coc(-c3ccc(Cl)cc3)n2)c1 728686258 NYGJLKOUURLKEA-UHFFFAOYSA-N 322.795 4.613 30 20 DJED Cc1cc(C)cc(C(=O)/C=C\c2ccc(Cl)c([N+](=O)[O-])c2)c1 730436772 LYFQEEPZYYDYGU-XQRVVYSFSA-N 315.756 4.761 30 20 DJED C=CC[C@@H](NC(=O)Nc1cccc2ccccc12)c1ccncc1 734516465 WXFOEEWKJHBWAE-GOSISDBHSA-N 317.392 4.674 30 20 DJED Cc1cccc2c(N3Cc4ccccc4[C@H](C)C3)c(C#N)cnc12 742174944 GWLHILJUHJLXOJ-OAHLLOKOSA-N 313.404 4.539 30 20 DJED CC[C@H](C#N)OC(=O)c1ccc(-c2ccc(Cl)cc2)s1 753424139 WFVLRAXQQRUMFZ-GFCCVEGCSA-N 305.786 4.527 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C1/CC[C@H](C)C1 753570492 BXUWFCXPRQXFCE-IXJPEXDMSA-N 309.862 4.663 30 20 DJED O=C(/C=C/c1ccc(O)c(F)c1)c1ccc(Cl)cc1Cl 755570621 MAKDJCIQJLKPKT-ORCRQEGFSA-N 311.139 4.734 30 20 DJED CC(=NNc1c(Cl)cc(F)cc1Cl)c1cncc(C)c1 767386135 POCRBXYZZYFFFM-UHFFFAOYSA-N 312.175 4.672 30 20 DJED CCc1noc(C)c1C(C)=NN[C@@H](C)c1ccc(C(C)C)cc1 769794249 ZBPCQJBCIZGQTC-ZDUSSCGKSA-N 313.445 4.744 30 20 DJED Cc1cccc(NCc2cccc(-c3ccc(C#N)s3)c2)n1 771757511 URXBXASAJFCQNP-UHFFFAOYSA-N 305.406 4.602 30 20 DJED Cc1cc2c(cc1C)C(=O)/C(=C/c1cccnc1Cl)CS2 777471063 YZSQIVQOTKISDF-MDWZMJQESA-N 315.825 4.724 30 20 DJED C#CCCCCCC(=O)N(CCCC)[C@H](C)c1ccc(C)o1 779829338 GXWGWQHHQXGICU-QGZVFWFLSA-N 303.446 4.861 30 20 DJED CC[C@H](C)[C@@H](C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 779836336 CUCMGUAMGYMNAV-YRNRMSPPSA-N 320.436 4.963 30 20 DJED N#CCc1ccc(CSC2=Nc3ccccc3CS2)cc1 783890602 DXSQFGSEBJEGQL-UHFFFAOYSA-N 310.447 4.920 30 20 DJED C[C@H](SCCCOc1ccc(C#N)cc1)c1cccc(C#N)c1 785535636 TWDOFJPVNVWIPJ-HNNXBMFYSA-N 322.433 4.693 30 20 DJED CC(C)(C)c1cnc(/C=C\C(=O)c2cc(F)ccc2F)s1 790602791 HDPRKYPIGIGVEX-SREVYHEPSA-N 307.365 4.615 30 20 DJED C[C@@H]1CCCC[C@@H]1CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797570561 HQNNWAPWYSHUNB-MGPQQGTHSA-N 318.486 4.833 30 20 DJED CCCCCCCc1nc(-c2cc(O)nc3ccccc23)no1 809500030 ZVKVRXBIOSRUBC-UHFFFAOYSA-N 311.385 4.503 30 20 DJED C#Cc1ccc(CNC(c2cccs2)c2cccs2)cc1 809623595 YEYQGJBBNCOPES-UHFFFAOYSA-N 309.459 4.670 30 20 DJED CC(C)C[C@@H](C)N(C(=O)CCCC#N)c1ccc2[nH]ccc2c1 812960926 LAQVZQDFPURXQR-OAHLLOKOSA-N 311.429 4.629 30 20 DJED CCCCCCCCCC(=O)N[C@@H](C)c1ccc(C#N)cc1 914445808 FXGGVCQPQZRLNY-INIZCTEOSA-N 300.446 4.876 30 20 DJED CCCCCCCC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 917844072 UDCZNSHRZLZTFR-MJGOQNOKSA-N 321.436 4.523 30 20 DJED Cc1ccc2c(c1)C/C(=C/c1cccc(Br)c1)C2=O 921264463 ULKHRYUAWVJIOR-ZSOIEALJSA-N 313.194 4.580 30 20 DJED CC(C)CC1(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CCCC1 1129983863 OVOCRNXJCJBRHC-INIZCTEOSA-N 312.457 4.684 30 20 DJED CC1(C)CN(Cc2ccccc2C(C)(C)C#N)c2ccccc2O1 1168183829 HJTRIFGWGGGJLZ-UHFFFAOYSA-N 320.436 4.665 30 20 DJED CC(C)(C)CN(Cc1ccc(OCC#N)cc1)c1ccccc1 1169482232 HJMDEZNZQVVOJK-UHFFFAOYSA-N 308.425 4.642 30 20 DJED Cc1ccnc(N(C)[C@H](C)c2ccc(Cl)c(Cl)c2)c1C#N 1185081912 VPXCCWZBQKPBCU-LLVKDONJSA-N 320.223 4.766 30 20 DJED N#CCc1cccc(NCC2(c3cccs3)CCCCC2)n1 1255096163 QSLSPIMZMAZCDK-UHFFFAOYSA-N 311.454 4.523 30 20 DJED C[C@H]1CCCC[C@@H]1CC(=O)Nc1cc2ccccc2cc1C#N 1275727011 ZNFCYFKYYLRTOQ-LSDHHAIUSA-N 306.409 4.866 30 20 DJED CSc1ccccc1C(=O)/C=C/c1nccc2ccccc12 1321179532 DOBJSQYRMUCCCW-ZHACJKMWSA-N 305.402 4.853 30 20 DJED N#Cc1ncccc1S[C@@H](c1ccccc1)c1ccc(F)cc1 1459074248 LEASMWAVBDKFGB-IBGZPJMESA-N 320.392 4.974 30 20 DJED CC[C@H](OC(=O)c1sccc1C#N)c1cccc(Cl)c1F 1517270153 LDHRXSTYZVNQKJ-LBPRGKRZSA-N 323.776 4.720 30 20 DJED C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC3(C)C)c2C#N)C1 1530057054 FMWHQJCNLNHJBV-RISCZKNCSA-N 316.470 4.509 30 20 DJED C[C@@H](CC#N)Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 1611964799 JYBPKSCWCGIZMQ-LBPRGKRZSA-N 322.799 4.664 30 20 DJED CC(C)(C)[C@@H]1CCCN(Cc2ccc(Cl)cc2C#N)CC1 1615519533 ICYGYHPDYIFTLL-MRXNPFEDSA-N 304.865 4.860 30 20 DJED N#C[C@H](Sc1nnc(-c2ccccc2)c2ccccc12)C1CC1 1640735298 OKVCIYZNGYZMDK-KRWDZBQOSA-N 317.417 4.691 30 20 DJED CC[C@@H](Cc1ccc(C)cc1)N(CC)Cc1ccc(CC#N)cc1 1641865890 QETRLJXEFXFJIE-QFIPXVFZSA-N 320.480 4.904 30 20 DJED Cc1cccc([C@@H]2CCCN2c2ncc(Cl)c(C)c2C#N)c1 1651411298 RKHYIALGONTLBB-KRWDZBQOSA-N 311.816 4.565 30 20 DJED Cc1cc(C)c(/C=C/C=NNc2cccc(C(=O)O)c2C)cc1C 1776088871 NUMCOMRVJVKSKB-DANWGHKQSA-N 322.408 4.730 30 20 DJED CCC(=NNc1cccc(C(=O)O)c1C)c1sccc1Cl 1776088915 QNWOTMLWZRDRHV-UHFFFAOYSA-N 322.817 4.634 30 20 DJED C=CCN(C(=O)/C=C/c1nc2ccccc2s1)c1ccccc1 71846285 ARDWPGLIOPZZCK-OUKQBFOZSA-N 320.417 4.529 30 20 DJED CCOc1cccc(/C=C/C(=O)c2ccc(OC(F)F)cc2)c1 71923673 BZXITJDXJKAMCR-IZZDOVSWSA-N 318.319 4.583 30 20 DJED CCOc1ccccc1[C@H](C)N[C@@H](CCC#N)c1ccccc1 90664447 JQVQZQXUKYFQKZ-LPHOPBHVSA-N 308.425 4.781 30 20 DJED CCOc1ccc([C@H](C)N[C@H](CCC#N)c2ccccc2)cc1 90665208 TXUVHGSUKQTJFB-OXJNMPFZSA-N 308.425 4.781 30 20 DJED CCCCCCCCc1nnc(NC(=O)c2ccoc2C)s1 104908651 ARROIBIJJPXUDI-UHFFFAOYSA-N 321.446 4.595 30 20 DJED CCCCCCCC(=O)N(C)[C@H]1CCCc2nc(C)sc21 110525730 QPBFHFSHPIEWNC-HNNXBMFYSA-N 308.491 4.648 30 20 DJED CC(C)c1cc(=O)oc2cc(OCCCC(C)(C)C#N)ccc12 177227042 SRCBMEHSFJNEFO-UHFFFAOYSA-N 313.397 4.625 30 20 DJED N#Cc1csc(CNC(c2cccs2)c2cccs2)c1 177704248 NMQNBRAFXROYSY-UHFFFAOYSA-N 316.476 4.622 30 20 DJED CC(C)(C#N)CCC[S@@](=O)Cc1ccc(Cl)c(Cl)c1 177941256 JAHRJBTUKMHZPF-LJQANCHMSA-N 318.269 4.572 30 20 DJED CCCCOc1ccccc1N[C@@H](C)c1ccc(OCC#N)cc1 182753455 IKDWVMOGKQIYBL-INIZCTEOSA-N 324.424 4.941 30 20 DJED C[C@@H](Sc1nnc(-c2cccs2)o1)c1cccc(C#N)c1 189795509 MKXNAGTWWCYSLW-SNVBAGLBSA-N 313.407 4.523 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)C1C[C@H](C)O[C@H](C)C1 189907595 RJIJFLIKMKSGFA-FKEKPDDDSA-N 315.457 4.681 30 20 DJED C=CCC(CC=C)C(=O)Nc1cnn(-c2ccccc2)c1C(C)C 191047026 UJMLWVKMQQQKPK-UHFFFAOYSA-N 323.440 4.703 30 20 DJED CC(C)Oc1ccc(C(=O)/C=C\c2ccc(O)c(Cl)c2)cc1 207714446 SNIUCZZPRSQTBY-OQFOIZHKSA-N 316.784 4.729 30 20 DJED Cc1noc(C)c1/C=C\C(=O)c1cc2cc(Cl)ccc2o1 255480759 PPNGXRCQPYBULQ-PLNGDYQASA-N 301.729 4.587 30 20 DJED C=C(C)[C@H](N[C@H](C)c1csc(C)n1)c1ccc(F)c(F)c1 274739108 DYPPBHOMWYTYGO-HWPZZCPQSA-N 308.397 4.698 30 20 DJED CC(O)=Nc1ccc(C(=O)N[C@@H]2CCCCC23CCCC3)cc1 329736454 LLZOBHSBPSMXMW-QGZVFWFLSA-N 314.429 4.527 30 20 DJED CC[C@@H]1CCC[C@H](/N=C(/O)C2CCC(/N=C(/O)C3CC3)CC2)C1 330016292 PHRQUDQBTLZIFT-MFNRNEDNSA-N 320.477 4.837 30 20 DJED CCOc1ccc(N(CCC#N)C(=O)CCCC(C)(C)C)cc1 342826493 UOIXSQLTUQQENC-UHFFFAOYSA-N 316.445 4.548 30 20 DJED CCSc1ccccc1[C@H](C)NCc1ccc(C#N)s1 421877586 KXAFOUFGUYRBHT-LBPRGKRZSA-N 302.468 4.583 30 20 DJED CCCc1ccccc1NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425606174 IEGKWGKLJWYDPH-OAHLLOKOSA-N 321.424 4.736 30 20 DJED C[C@H](SCc1nccn1-c1ccccc1)c1cccc(C#N)c1 434631176 OZOHQWAUHOYQIK-HNNXBMFYSA-N 319.433 4.738 30 20 DJED N#Cc1cccc(Cl)c1NCc1cccc(Br)c1 462389830 OKNNEPATUVYOHV-UHFFFAOYSA-N 321.605 4.586 30 20 DJED CC(C)[C@@H]1CCc2ccccc2[C@H]1NCc1cc(C#N)cs1 462541726 HDYWUEJRQNQZGK-HKUYNNGSSA-N 310.466 4.669 30 20 DJED CC(C)c1cnc(-c2ccc(N[C@@H]3CCC[C@H](C#N)C3)cc2)o1 463277752 DUSOQUFVDUMVNI-WMLDXEAASA-N 309.413 4.959 30 20 DJED C=CCN(Cc1ccc(Cl)s1)Cc1ncc(Cl)s1 473138680 NHADFLDIWBVBOH-UHFFFAOYSA-N 319.282 4.700 30 20 DJED N#Cc1ccc(CN2CC=C(c3cccc(Cl)c3)CC2)s1 475431330 UJHKIIDIZUPREW-UHFFFAOYSA-N 314.841 4.562 30 20 DJED C[C@H](N[C@H]1CC[C@H](c2ccccc2F)C1)c1cccc(C#N)c1 481719757 CYMGQXOBXFYMGH-WBAXXEDZSA-N 308.400 4.684 30 20 DJED N#Cc1cccnc1/C=C/c1ccc(Br)c(Cl)c1 485977856 NNVODHLZQAMURZ-GQCTYLIASA-N 319.589 4.540 30 20 DJED Cc1cc(/C=C/c2ccncc2C#N)ccc1Oc1cccnc1 504713095 UIGUAJKYXPFJTJ-GQCTYLIASA-N 313.360 4.619 30 20 DJED C=CCOc1ccc(-c2nc3cc(F)ccc3s2)cc1OC 513869047 FVLYRQWLLOIKFP-UHFFFAOYSA-N 315.369 4.676 30 20 DJED C=CCCCC(=O)N1CCC(Oc2ccc(C(C)C)cc2)CC1 530643801 ZIRGBAJQRNTMNN-UHFFFAOYSA-N 315.457 4.536 30 20 DJED C=CCCC[C@@H](C)NC(=O)Nc1cccc(-c2nccs2)c1 540547379 CPNBURIGCVGBLV-CYBMUJFWSA-N 315.442 4.676 30 20 DJED CC(C)[C@H](NCc1ccc(CC#N)cc1)c1ccc(Cl)cc1 543139275 PVOIDAYZLKMYCL-IBGZPJMESA-N 312.844 4.893 30 20 DJED C[C@H](C(=O)N[C@](C)(C#N)C1CCCCC1)c1cc2ccccc2o1 550349169 DGZWARQRUNGCBO-VBKZILBWSA-N 324.424 4.515 30 20 DJED CCCOc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 553304997 DJALICPZJNDGKQ-NRFANRHFSA-N 320.436 4.514 30 20 DJED CN(Cc1cccc(C#N)c1)C1c2ccccc2-c2ccccc21 559157044 YSFYWLSMQIZIFY-UHFFFAOYSA-N 310.400 4.760 30 20 DJED CCC(C)(C)OCc1ccccc1NC(=O)CCCCCC#N 588757905 LIDYNQOYVCKFEL-UHFFFAOYSA-N 316.445 4.804 30 20 DJED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(C(F)F)nc1 595021674 DMBVQVMEVUEWCL-CZUORRHYSA-N 315.367 4.715 30 20 DJED C[C@@H](Nc1ccc(Br)c(C#N)c1)c1ccccc1F 600852464 GIFSIDIFTSOWEE-SNVBAGLBSA-N 319.177 4.633 30 20 DJED N#Cc1nc(NCc2c(Cl)cccc2Cl)ccc1Cl 609449145 KHBKZZPNOVUBOE-UHFFFAOYSA-N 312.587 4.526 30 20 DJED CC(C)c1cnc(SCc2cc(C#N)ccc2F)n1C(C)C 610034113 RPBQJOYJYXSWJD-UHFFFAOYSA-N 317.433 4.890 30 20 DJED COc1ccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)cc1Cl 610346474 VOAQCZAOEOGWGN-CHWSQXEVSA-N 314.816 4.632 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NC1(c2ccc(Cl)cc2)CC1 611473140 FUJUXLJCSISXSA-IBGZPJMESA-N 322.839 4.868 30 20 DJED C=CCCc1ccccc1NC(=O)[C@@H]1CCc2cc(F)ccc21 614479910 RMRBUZULRTVQKI-GOSISDBHSA-N 309.384 4.613 30 20 DJED C=CCc1ccccc1OCc1nc(-c2ccccc2)oc1C 643834225 ZISZIMLLPWXBKJ-UHFFFAOYSA-N 305.377 4.958 30 20 DJED C=CCC[C@@H](N[C@H](C)c1nccn1-c1ccccc1)c1ccco1 672617164 MYYHBUIBNIVRSG-SJLPKXTDSA-N 321.424 4.823 30 20 DJED C=C[C@H](CC(=O)N1CCc2cc(F)ccc2[C@@H]1C)c1ccccc1 677553817 HXRZYIRZFVNKQA-JKSUJKDBSA-N 323.411 4.631 30 20 DJED C#Cc1cccc(NC(=S)N(CC)c2ccc(C)cc2C)c1 726471540 QCSQIBAKAFFFGV-UHFFFAOYSA-N 308.450 4.508 30 20 DJED O=C(/C=C\c1csc2ccccc12)c1csc(C(=O)O)c1 730148516 HPNAQSOSYBILIC-WAYWQWQTSA-N 314.387 4.557 30 20 DJED CCCC[C@@H]1CCCC1=NNc1ccc(Br)nc1 732712146 RLXQSTCDUADKRW-LLVKDONJSA-N 310.239 4.602 30 20 DJED Fc1cc(F)c(NN=Cc2ccc(Cl)cc2Cl)cc1F 734301905 ULIKCQUKKZAGED-UHFFFAOYSA-N 319.113 4.857 30 20 DJED C=C(C)[C@H](CC(=O)N(CC)c1ccc2ccccc2c1)OCC 755791303 CEORYZIGOOCNMS-IBGZPJMESA-N 311.425 4.564 30 20 DJED C[C@@H](NCc1cc2ccccc2s1)c1ccc(OCC#N)cc1 758484076 VDBQEBMMLUQIKH-CQSZACIVSA-N 322.433 4.654 30 20 DJED C=CCC[C@@H](NC(=O)Nc1ccc(COC)cc1)c1ccccc1 772586951 GEAJECKZSWIPNF-LJQANCHMSA-N 324.424 4.662 30 20 DJED C#CC[C@@H](N[C@@H](C)c1sc(C(C)C)nc1C)c1ccccc1 773115169 MTDWDQRNWQMQSU-WMLDXEAASA-N 312.482 4.990 30 20 DJED CC[C@@H](Nc1ccc(OCC2CC2)cc1)c1ccc(C#N)cc1 774293833 QNOOLCGQZDNDLE-HXUWFJFHSA-N 306.409 4.910 30 20 DJED C=CCCCC[C@@H](C)NC1CCC(NC(=O)OC(C)(C)C)CC1 779107344 ZRQQYUISJSFGHL-KLAILNCOSA-N 324.509 4.547 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1ccc(OC)c(OC2CCCC2)c1 785495788 RHJPTEPLUZJZAR-IBGZPJMESA-N 317.429 4.557 30 20 DJED COc1ccc(C(=O)/C=C\c2ccsc2Cl)c(C)c1OC 794738260 JPNKNJOYNWIBJW-XQRVVYSFSA-N 322.813 4.623 30 20 DJED O=C(/C=C\c1cccnc1)c1ccc(-c2c(F)cccc2F)cc1 811696527 FEMSOYPRHZEGQT-WDZFZDKYSA-N 321.326 4.923 30 20 DJED C=CCc1ccc(OC(=O)C[C@H](C)c2ccccc2)c(OC)c1 875112008 BGPMXQBBYZGVOD-HNNXBMFYSA-N 310.393 4.523 30 20 DJED CC[C@H](N[C@@H](CCC#N)c1ccccc1)c1cccc(C#N)c1 902884662 JWZSDOSPZACLLY-PMACEKPBSA-N 303.409 4.644 30 20 DJED CC(=NNc1ccc(C(F)(F)F)cn1)c1cccc(Cl)c1 915917975 XFHVDMJYNPDSKF-UHFFFAOYSA-N 313.710 4.590 30 20 DJED CCOc1ccccc1C(C)=NNc1nccc2sccc12 915978148 BCMRWQHLYNKLOX-UHFFFAOYSA-N 311.410 4.531 30 20 DJED Cc1cc(/C=C\C(=O)c2ccc(O)cc2)cc(C)c1OC(F)F 916134934 YHYPOQFWBSIIDG-BAQGIRSFSA-N 318.319 4.507 30 20 DJED CCC[C@@H](CC(C)C)C(=O)N[C@H](CCC#N)c1ccccc1 1127297304 NVNRTWHZXUWPNE-ZWKOTPCHSA-N 300.446 4.610 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 1128304411 JRUQJKOYJZNQPJ-CVEARBPZSA-N 306.494 4.770 30 20 DJED C[C@@H]1CC(C)(C)c2cccc(NC(=O)Cc3ccc(C#N)cc3)c21 1133932081 ZLKKODXOURGQOL-CQSZACIVSA-N 318.420 4.524 30 20 DJED CC(C)(C)OCc1cccc(Nc2nc(Cl)c(C#N)s2)c1 1187774477 UHEGNRXPILPUBL-UHFFFAOYSA-N 321.833 4.727 30 20 DJED Cc1cccc([C@@H](C)Sc2nc3c(cc2C#N)CCCC3)c1 1188565066 NDQOYLZQWRTCPS-CQSZACIVSA-N 308.450 4.994 30 20 DJED CCC(CC)CN(CCC#N)Cc1csc(C2CCCC2)n1 1191367074 KZOVTMQUCVURSG-UHFFFAOYSA-N 319.518 4.953 30 20 DJED Cc1cc(C#N)ccc1CN1CCCc2c(Cl)ccc(C)c21 1194933068 RCCLWDLNDMLYSH-UHFFFAOYSA-N 310.828 4.781 30 20 DJED CCC1(CC)CN(C(=O)c2cc(C#N)ccc2C)c2ccccc21 1266457787 SNEOICYMYALVLX-UHFFFAOYSA-N 318.420 4.585 30 20 DJED C[C@H](NCCC1(C#N)CCCCC1)c1ccc(F)cc1Cl 1307792577 YHODBZPELZNWHC-ZDUSSCGKSA-N 308.828 4.994 30 20 DJED CC(C)(C)OC(=O)C1CCC(=NNc2ccccc2Cl)CC1 1336943075 IZJGSQANTBXLRE-UHFFFAOYSA-N 322.836 4.640 30 20 DJED CC[C@H](Cc1ccc(C)cc1)N(CC)Cc1ccc(C#N)s1 1459549374 JXLGLSZBZBRLBS-QGZVFWFLSA-N 312.482 4.771 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cc2ccccc2s1 1461077702 JJWCSIMKFJZRMN-CYBMUJFWSA-N 320.417 4.606 30 20 DJED CCc1cccc2cc(CNC3(c4cccc(C#N)c4)CC3)oc12 1474144978 YELBOTHZNNEJHB-UHFFFAOYSA-N 316.404 4.646 30 20 DJED CCN(C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1)c1ccc(C#N)cc1 1532303204 VYAPAEKRRXQFAG-RDJZCZTQSA-N 312.457 4.764 30 20 DJED CC[C@@](C)(C#N)C(=O)Nc1cccc(Oc2ccc(C)cc2C)c1 1532541285 GNHCCZSQFVOKME-FQEVSTJZSA-N 322.408 4.974 30 20 DJED CC[C@@H](C)c1ccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1 1584414899 DMTSGAJNWJEZKU-HZPDHXFCSA-N 320.436 4.905 30 20 DJED N#CCC1(CN[C@@H](c2c(Cl)cccc2Cl)C2CC2)CC1 1618299805 GKIFBHISRGHSNH-OAHLLOKOSA-N 309.240 4.728 30 20 DJED CC(C)CN(CCC#N)C(=O)CC1CCC(C(C)(C)C)CC1 1625794692 NQCTYCDCDWGHTC-UHFFFAOYSA-N 306.494 4.627 30 20 DJED C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3ccc(C#N)cc3)c21 1626489928 AOJCASRSVWAQFF-CYBMUJFWSA-N 304.393 4.595 30 20 DJED CCc1nc(C#N)cc(Oc2ccc(C3CCCCC3)cc2)n1 1641937326 FKTRYKPVZZHFBK-UHFFFAOYSA-N 307.397 4.751 30 20 DJED C[C@H]1CC[C@H](c2ccccc2)N(Cc2cccc(C#N)c2F)C1 1643044694 KVEVWLBULLGFPC-HNAYVOBHSA-N 308.400 4.671 30 20 DJED C[C@@H]1CCC[C@@H](CSc2nc3c(cc2C#N)CCCC3)C1 1643615522 NFUDXYLCBLBRSI-ZIAGYGMSSA-N 300.471 4.750 30 20 DJED CCc1nc(C#N)cc(NCc2ccc(C3CCCCC3)cc2)n1 1651090269 NJTUNFRREQXVIZ-UHFFFAOYSA-N 320.440 4.570 30 20 DJED C[C@@H]1[C@@H](Cc2ccccc2)CCN1Cc1ccc(Cl)cc1C#N 1652670002 WFUASXIQYMPJDA-NVXWUHKLSA-N 324.855 4.665 30 20 DJED N#CC1(c2ccccc2)CC(NC(C2CCCC2)C2CCCC2)C1 1658949788 QNKKDNAFMWZYOH-UHFFFAOYSA-N 322.496 4.949 30 20 DJED CC(C)Sc1cccc(Cl)c1CN(CCC#N)CC1CC1 1663717336 KGFGPVTWTREJLB-UHFFFAOYSA-N 322.905 4.966 30 20 DJED CCC(CC1CCCCC1)=NNc1ccc(C(=O)O)cc1OC 1776050822 FSYRPKYCJLWXMW-UHFFFAOYSA-N 318.417 4.542 30 20 DJED N#Cc1ccc(F)c(CSc2ccc(Br)cc2)c1 36961464 NCUYOSMYXGZASU-UHFFFAOYSA-N 322.202 4.752 30 20 DJED CC(C)c1ccc(-c2nc(CN(C)C[C@@H](C)C#N)cs2)cc1 143163325 GFSVQCROLMIWJG-AWEZNQCLSA-N 313.470 4.525 30 20 DJED C=CCN(Cc1cccs1)C(=O)CCCc1sccc1C 160399379 FRONNXLRCBIRSH-UHFFFAOYSA-N 319.495 4.656 30 20 DJED N#Cc1ccc(CNc2cc(Cl)cc(C(F)(F)F)c2)s1 169026984 QYKWWBGEHLJCGJ-UHFFFAOYSA-N 316.735 4.904 30 20 DJED C[C@H](SCCOc1cccc(C#N)c1)c1nc2ccccc2o1 183267703 LTJZQKUPQIFLBX-ZDUSSCGKSA-N 324.405 4.573 30 20 DJED C=C[C@@](C)(CC)c1nc(-c2cccnc2Oc2ccccc2)no1 191168166 PZRMCPVAZMVYPV-IBGZPJMESA-N 321.380 4.778 30 20 DJED COc1cc(C(=O)/C=C\c2ccc(C)s2)ccc1SC 211329906 YFABXHHAOXZIRC-FPLPWBNLSA-N 304.436 4.683 30 20 DJED CC1(C)C(O)=Nc2cc(/C(O)=N/C[C@@H]3CCCC3(C)C)ccc21 329363051 DBZPHMWDAFEXFC-ZDUSSCGKSA-N 314.429 4.697 30 20 DJED Cc1nc(C2CC2)oc1/C(O)=N/[C@@H]1CCC[C@H](C(C)C)CC1 329934852 CEKCEEDLOOBGQK-DZGCQCFKSA-N 304.434 4.770 30 20 DJED C=CC[C@H](CC)NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 410124479 WTMGRKNOOOGVBV-DOMZBBRYSA-N 313.363 4.670 30 20 DJED C[C@H](CCCC(F)(F)F)N[C@@H]1CCCc2cc(C#N)ccc21 426065069 XKFMNBUEFMTJMH-MLGOLLRUSA-N 310.363 4.646 30 20 DJED CC(C)(C#N)CCCN1CC[C@H](Sc2cccc(Cl)c2)C1 429120194 DGJUZWLAWSKACN-INIZCTEOSA-N 322.905 4.836 30 20 DJED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cccc(Cl)c1Cl 436287991 UMIZABMYCQILSN-MKBNYLNASA-N 314.256 4.625 30 20 DJED CC(C)CCC[C@@H](C)NC(=O)N[C@@H](CCC#N)c1ccccc1 438840137 MVYOMDGCJJTNOE-AEFFLSMTSA-N 315.461 4.545 30 20 DJED N#Cc1ccccc1-c1ccc(CSc2ccncc2)cc1 440775361 NLQFNXHWVPTSLD-UHFFFAOYSA-N 302.402 4.913 30 20 DJED Cc1cccc(Oc2ccccc2CN[C@@H]2CC[C@@H](C#N)C2)c1 442776130 BLGAOHHARIFZMD-SJLPKXTDSA-N 306.409 4.569 30 20 DJED C[C@@H](NCc1cc(C2CC2)ccc1F)c1ccc(C#N)c(F)c1 453251871 FRKXRWWEBQSSRW-GFCCVEGCSA-N 312.363 4.565 30 20 DJED CCOc1ccccc1C1=CCN(CCCC(C)(C)C#N)CC1 472242886 TYXWASPYMSJORI-UHFFFAOYSA-N 312.457 4.504 30 20 DJED C=CCCC[C@H](C)NC(=O)c1ccc(Cl)cc1C(F)(F)F 472396745 LXZXSNIQKMQTHM-JTQLQIEISA-N 319.754 4.833 30 20 DJED N#CCCCCSc1nc2c(n1-c1ccccc1)CCCC2 475738203 PHZAKOZRPQKAQH-UHFFFAOYSA-N 311.454 4.537 30 20 DJED N#CCCCSCc1ccc(Br)c(Cl)c1 479523690 FTYCPOJSFRIVMH-UHFFFAOYSA-N 304.640 4.639 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)c1 480786571 PHRSUHZIUOKYHL-VQIMIIECSA-N 322.383 4.648 30 20 DJED CC(C)c1ccc2c(c1)[C@H](NCc1ccc(C#N)cc1F)CC2 495147567 QHJREQSWIYBLOL-HXUWFJFHSA-N 308.400 4.598 30 20 DJED CC(C)Cc1ccc([C@H](NCc2cccc(C#N)c2)C2CC2)cc1 508076044 AKSJHYQCZXKKHN-QFIPXVFZSA-N 318.464 4.998 30 20 DJED C=CCCC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 522570544 XFPZUXPVDNOQRY-SFHVURJKSA-N 313.828 4.706 30 20 DJED CC(C)Cc1ccc([C@H](NCCCSCC#N)C2CC2)cc1 540590230 XSJHTOZDMDQVRC-IBGZPJMESA-N 316.514 4.573 30 20 DJED Cc1ccc(C(=O)N[C@](C)(C#N)C2CCCCC2)c(Cl)c1C 584016199 NVIDTDNRHJFOCH-GOSISDBHSA-N 318.848 4.549 30 20 DJED C=CCn1c(S[C@@H]2CCC[C@@H](C)C2)nnc1-c1ccoc1C 605076198 PPMSGCMQODGZJF-TZMCWYRMSA-N 317.458 4.703 30 20 DJED C=CCCCCCN(C)C(=O)c1oc2ccc(F)cc2c1C 606815949 IMAFYPUXKZGTDN-UHFFFAOYSA-N 303.377 4.699 30 20 DJED C=CCSCc1coc(-c2ccc(Br)cc2)n1 609633819 ISEYNHWFMYKYCQ-UHFFFAOYSA-N 310.216 4.523 30 20 DJED Cc1ccc(C(C)C)cc1Oc1c(C#N)nnc2ccccc12 610128448 LMZDQZNVRYMBRM-UHFFFAOYSA-N 303.365 4.726 30 20 DJED CCCn1c(-c2ccc3cnccc3c2)nc2cc(C#N)ccc21 618622417 QEGWPSLTCLXTMU-UHFFFAOYSA-N 312.376 4.533 30 20 DJED CCc1ccc(C(C)=NNc2ccc(OC(F)F)cc2)s1 726426890 LOCSBWBHBQETJV-UHFFFAOYSA-N 310.369 4.748 30 20 DJED CSc1ccc(C(=O)/C=C/C2=Cc3ccccc3OC2)cc1 726743561 LWWHVFBWPYBNCT-IZZDOVSWSA-N 308.402 4.623 30 20 DJED O=C(/C=C/c1ccc(-c2ccccc2F)o1)c1cncc(F)c1 737445656 CVUQGMNOASIPIV-FNORWQNLSA-N 311.287 4.516 30 20 DJED CC1(C)C(=NNc2ccc(Cl)c(Cl)c2)[C@@H]2CCCO[C@H]21 743436003 RNYDEINUOBOFQV-IINYFYTJSA-N 313.228 4.596 30 20 DJED CC(=NNc1cc(F)c(F)c(F)c1)c1cnc2ccsc2c1 747642316 MLULSCLBCMDTFI-UHFFFAOYSA-N 321.327 4.550 30 20 DJED C#CC[C@H](NC(=O)N(C)C1CCCCCCC1)c1ccccc1 757772477 QFYNAGYRYIBATI-IBGZPJMESA-N 312.457 4.505 30 20 DJED CC(C)n1cc(C(=O)/C=C/c2c(Cl)oc3ccccc23)cn1 761199218 INDXROZCZNDJSG-BQYQJAHWSA-N 314.772 4.760 30 20 DJED CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)CCC=C(C)C)c1 772985228 UNHBDTWFDDASJY-WMZOPIPTSA-N 300.446 4.592 30 20 DJED CC(C)Cc1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2o1 791785077 ZEWGKLYTMFISJJ-MRXNPFEDSA-N 318.376 4.516 30 20 DJED C=CCC[C@H](Nc1ccc(CN(C)C)c(F)c1)c1ccco1 796923650 OZVBYTRBGFDZFX-KRWDZBQOSA-N 302.393 4.600 30 20 DJED C[C@@H](NC(=O)[C@@]1(C#N)CC12CCCC2)c1csc2ccccc12 823147866 DYBGXVBYOOGDGL-YJYMSZOUSA-N 324.449 4.553 30 20 DJED Br/C(C=NOCc1ccccc1)=C\c1ccccc1 839418363 NBUHRTXCTIJGTN-YBGCTQOOSA-N 316.198 4.625 30 20 DJED CCCCS[C@H](C)C(=O)Nc1cc2ccccc2cc1C#N 839434696 FOBSEQGBADUTPC-CYBMUJFWSA-N 312.438 4.572 30 20 DJED C[C@@H](C#N)Oc1ccccc1NCc1ccc(F)c2ccccc12 864031843 RXCIASPJUZRNOZ-AWEZNQCLSA-N 320.367 4.882 30 20 DJED CCCCCCCSc1nnc(-c2ccccc2OC)n1C 915792176 UYIVRFAOIRCUEG-UHFFFAOYSA-N 319.474 4.553 30 20 DJED Cc1cc(C)c(C=NNCc2ccc(C(F)(F)F)cc2)c(C)c1 915972998 YEZBEQZKLFNBFN-UHFFFAOYSA-N 320.358 4.754 30 20 DJED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(C(C)(C)O)cc1 925602577 WKLUBYGJGJPTGQ-UZLBHIALSA-N 322.452 4.610 30 20 DJED CCCC[C@H]1CCC[C@@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 1125839639 VKRDFNLEGSEHFQ-YJBOKZPZSA-N 312.457 4.576 30 20 DJED C[C@H]1CCC[C@@H]1CC(=O)Nc1scc(C(C)(C)C)c1C#N 1129478619 UPTWYOXLNBLRNW-NWDGAFQWSA-N 304.459 4.682 30 20 DJED Cc1sccc1NC(=O)c1sc2ccc(C#N)cc2c1C 1132350325 OBPBNXRQCHCTQA-UHFFFAOYSA-N 312.419 4.704 30 20 DJED N#Cc1ccc(CCN2CCC[C@H]2c2cccc(Cl)c2)cc1 1208929490 QHPZOCYNZRIRGE-IBGZPJMESA-N 310.828 4.591 30 20 DJED C[C@H]1CCC[C@@H]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 1264129138 KPMACQAQIPXRBO-QWHCGFSZSA-N 316.470 4.653 30 20 DJED CC[C@@H]1CCC[C@H](Nc2nccc(Oc3cccc(C#N)c3)n2)C1 1306972451 HUBZWKOTOZBHHQ-ZBFHGGJFSA-N 322.412 4.521 30 20 DJED Cc1ccc(C#N)c(Nc2ccc(N3CCCC[C@H]3C)cc2C)n1 1307001486 VIQAWQOLJMZDNW-MRXNPFEDSA-N 320.440 4.693 30 20 DJED CC[C@](C)(C#N)c1nnc(-c2sc3ccccc3c2Cl)o1 1333095198 MEUHBRLDVSQSAA-OAHLLOKOSA-N 317.801 4.796 30 20 DJED CCC(CC)C(=O)OCc1ccccc1Oc1ccccc1C#N 1521370594 MAFUSWBSNUUCQW-UHFFFAOYSA-N 323.392 4.830 30 20 DJED N#Cc1ccc(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)cc1Cl 1524024332 SXDTVCCFVIUJDU-HDJSIYSDSA-N 316.832 4.757 30 20 DJED CC(C)(Cc1cccc(Cl)c1)C(=O)O[C@H]1CCC[C@@H](C#N)C1 1525048977 POVOBXPZSRJQRX-ZBFHGGJFSA-N 319.832 4.534 30 20 DJED CSc1ccccc1[C@@H](C)OC(=O)c1cc(C#N)ccc1C 1525678564 JNQJPTRBLUDZOK-CYBMUJFWSA-N 311.406 4.507 30 20 DJED N#Cc1cc(Cl)ccc1CN(CC1CC1)C1CCCCC1 1559523139 IDSNECSKTCRFOA-UHFFFAOYSA-N 302.849 4.756 30 20 DJED N#Cc1cnc(N2CC3(CCCCC3)[C@H]2c2ccccc2)c(F)c1 1640004426 AFDJPWNHFRORJF-GOSISDBHSA-N 321.399 4.604 30 20 DJED CCC1(CC)CCCN(c2ncc(Cl)c(C)c2C#N)CC1 1642572141 SAMLNAXDNUKZTQ-UHFFFAOYSA-N 305.853 4.712 30 20 DJED CC[C@@H](Nc1nc(Cl)c(C#N)s1)c1ccc(C)c(F)c1 1651690468 UAZHJASQFUDGJT-LLVKDONJSA-N 309.797 4.679 30 20 DJED N#Cc1ccc(SCc2ccc(F)cc2Br)cc1 1652613054 PRQAUSJZBGONPV-UHFFFAOYSA-N 322.202 4.752 30 20 DJED C[C@H](CCC#N)CN1CCC(CCc2ccc(F)cc2F)CC1 1652744882 MCHOQTUMNUHSOA-OAHLLOKOSA-N 320.427 4.549 30 20 DJED Cc1cc(F)ccc1C1CCN([C@H](C#N)c2ccccc2)CC1 1653736812 YZLPLCINMPVLAJ-HXUWFJFHSA-N 308.400 4.578 30 20 DJED Cc1nc(N[C@H](Cc2ccccc2)c2ccccc2)ccc1C#N 1654950767 OMLNIDUIFVUQOU-HXUWFJFHSA-N 313.404 4.658 30 20 DJED C[C@@H]1C[C@@H]1[C@@H](Nc1ncc(C#N)cc1F)c1ccc(Cl)cc1 1655135843 NGASGZOLXJICIF-OOVXXXAESA-N 315.779 4.555 30 20 DJED CC(C)(C)Oc1cccc(CN[C@H](CCC#N)c2ccccc2)c1 1655957189 SSBHQTYZMYMOSM-HXUWFJFHSA-N 322.452 4.999 30 20 DJED Cc1c(NN=C2CCC[C@H]2CCC(C)C)cccc1C(=O)O 1776086692 IZDSQQWCLKNTQR-AWEZNQCLSA-N 302.418 4.697 30 20 DJED CC(C)(C)c1ccccc1/C=C\C(=O)c1csc(C(=O)O)c1 1776276487 MWMCIXPNLYAWKA-HJWRWDBZSA-N 314.406 4.640 30 20 DJED Cc1c(Br)c(-c2ccc(C#N)cc2)nc2ccccc12 15453985 BGWAXCYBZMGPNP-UHFFFAOYSA-N 323.193 4.844 30 20 DJED C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 25437871 XSHOVMADDUEZTN-CQSZACIVSA-N 324.449 4.607 30 20 DJED CC(C)(C)[C@H](NCc1ccc(C#N)cc1F)c1ccc(F)cc1 53644114 RNMPRHNPBIOWGN-GOSISDBHSA-N 314.379 4.713 30 20 DJED C=C(C)CN(CC)C(=O)c1csc(-c2ccccc2Cl)n1 66283433 KXPCFPAZXYZTOF-UHFFFAOYSA-N 320.845 4.502 30 20 DJED Cc1cccc(C(C)C)c1NC(=O)c1cccc(SCC#N)c1 79381550 GODHJNRSDWWVHR-UHFFFAOYSA-N 324.449 4.986 30 20 DJED CC[C@@H](C)[C@H](C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 180326565 GCNBOAHTZGVMOX-MJBXVCDLSA-N 304.459 4.559 30 20 DJED Cc1cncc(C(=O)/C=C/c2csc(-c3ccc(F)cc3)n2)c1 184769362 VGUJPAGFRVHIFV-VOTSOKGWSA-N 324.380 4.549 30 20 DJED N#Cc1cccc(C(=O)/C=C\c2ccc(-c3ccc(F)cc3)o2)c1 206974022 ZAQGFAPBUNNFIA-NTMALXAHSA-N 317.319 4.853 30 20 DJED C[C@@H]1CCCC[C@H]1CNc1ccc(C#N)c(Br)c1 228183491 GBHCSBBCVSMBEV-YPMHNXCESA-N 307.235 4.559 30 20 DJED Cc1ccccc1-c1nnc(SCCCCC(C)(C)C#N)o1 277470226 AQXIKIBRODLBPP-UHFFFAOYSA-N 315.442 4.857 30 20 DJED C[C@H](Nc1cccc(F)c1C#N)c1ccccc1C(F)(F)F 314243335 PQIXZXPIRPIHLT-JTQLQIEISA-N 308.278 4.889 30 20 DJED Cc1noc(C)c1C(C)(C)/C(O)=N/C[C@@H]1C[C@H]1C1CCCCC1 329267055 DBFKNLKKAWLEMX-HOTGVXAUSA-N 318.461 4.742 30 20 DJED Cc1nc(-c2cc([C@@H](C)NCC3(CC#N)CC3)cs2)cs1 430744462 VCDLOUYLXPDFGY-LLVKDONJSA-N 317.483 4.525 30 20 DJED Cc1ccc(SCC(F)(F)F)c(N[C@H]2CC[C@H](C#N)C2)c1 442853733 JMQGHIIHDXXFTB-RYUDHWBXSA-N 314.376 4.754 30 20 DJED CCCc1nc(C)c(CSc2ccc(C#N)cc2Cl)o1 450875712 VXOOLTNMQFNWQU-UHFFFAOYSA-N 306.818 4.753 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@@H]1C[C@H]1c1ccccc1 463101163 CWUYSFBVLYNCGP-FNAHDJPLSA-N 316.448 4.562 30 20 DJED C[C@H](Nc1cc(F)ccc1OCC1CC1)c1ccc(C#N)cc1 477922533 KVUCAYAGHOPJQN-ZDUSSCGKSA-N 310.372 4.659 30 20 DJED CC(C)Oc1ccc(CSc2ccc(C#N)cn2)cc1Cl 488747157 IJFZJOKLIASDRJ-UHFFFAOYSA-N 318.829 4.686 30 20 DJED C=C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 488878366 MACYXBKLVYGBJB-OAGGEKHMSA-N 324.251 4.664 30 20 DJED C=C(C)CN(CC)C(=O)N[C@H](CC(C)(C)C)c1ccccc1 503389672 ZQEXHGWSAMNDSW-QGZVFWFLSA-N 302.462 4.772 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1cccc(C)c1Cl 525825051 SOXQNCRSYBYPDO-UHFFFAOYSA-N 314.816 4.869 30 20 DJED C=CCC[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 565924882 ZPDDRFGEIXTZIP-RTWAWAEBSA-N 302.421 4.843 30 20 DJED CC(C)c1ccc(/C=C/CC(=O)N2CCC(CCC#N)CC2)cc1 566739923 IBBGYAYMXDEJDK-HWKANZROSA-N 324.468 4.756 30 20 DJED N#CCCC1CCN(C2c3ccccc3-c3ccccc32)CC1 579226653 YMFAXNBDVGMZFI-UHFFFAOYSA-N 302.421 4.772 30 20 DJED N#CC1(CC[S@@](=O)Cc2cc3ccccc3o2)CCCCC1 591345502 RFSMRJNFGPAUHB-JOCHJYFZSA-N 315.438 4.546 30 20 DJED Cc1cc(F)c(C(F)(F)F)cc1NC(=O)CCCCCC#N 601595050 FKHLDEAYTBHTTD-UHFFFAOYSA-N 316.298 4.566 30 20 DJED Cc1ccc(NC(=O)CS[C@H](C)c2ccc(C#N)cc2)cc1C 609825577 GMCUYIKEZJSGHO-OAHLLOKOSA-N 324.449 4.608 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1nccc2ccccc12 611255747 BAJNRMQHTOZVBP-UHFFFAOYSA-N 315.420 4.519 30 20 DJED CC(C)(C)c1cccc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)c1 654999377 DMAUJKFGGVQXEP-OAHLLOKOSA-N 324.449 4.808 30 20 DJED N#Cc1ccc(NC(=O)Nc2cccc(SC(F)F)c2)cc1 727472906 PDNAGTQLNXSYRV-UHFFFAOYSA-N 319.336 4.517 30 20 DJED CCCCCCC[C@H](C)CNC(=O)N[C@H](C)c1c(C)noc1C 733803147 HPFTWQYXPNZPBV-UONOGXRCSA-N 323.481 4.648 30 20 DJED C[C@@H](/N=C\c1cccc(O)c1O)c1cccc(Cl)c1Cl 735415632 YBCQFHDMVMDLIA-YSUMALLGSA-N 310.180 4.585 30 20 DJED O=C(/C=C/c1cnc2ccccn12)c1ccc(-c2ccccc2)cc1 740666188 NGGKNFHDEWNKQU-BUHFOSPRSA-N 324.383 4.897 30 20 DJED CCCCCCCCOCC(=O)N1CCC[C@H]1c1cccs1 741520388 FPGNESYNEZOPCR-INIZCTEOSA-N 323.502 4.789 30 20 DJED CSc1ccc(C(=O)/C=C\c2ccc3ncccc3c2)cc1F 741846737 ICEBWMNDHADRJL-YVMONPNESA-N 323.392 4.992 30 20 DJED C[C@H](C/N=C\c1cc2ccccc2nc1O)Sc1ccccc1 743044903 TXSHATKCFHYLQZ-KELUXRKGSA-N 322.433 4.540 30 20 DJED COc1ccc(CNc2ccc(OCCC(C)C)cc2)cc1C#N 744449383 IJHRMXLUYBEGCF-UHFFFAOYSA-N 324.424 4.604 30 20 DJED C(=NN(c1ccccc1)c1ccccc1)c1cnc2ccccc2n1 744539533 MBTOMRPMFDNSTH-UHFFFAOYSA-N 324.387 4.802 30 20 DJED C#CC[C@@H](NCc1cccc(-c2ccccn2)c1)c1ccccc1 756996550 GTELSWBOZOTFMR-OAQYLSRUSA-N 312.416 4.603 30 20 DJED O=C(/C=C\c1ccc(Cl)nc1Cl)c1cc(F)ccc1F 761476401 IODKSQZHUVWFEY-KTAJNNJTSA-N 314.118 4.563 30 20 DJED N#Cc1c(F)ccc(/C=C\C(=O)c2cc(F)cc(F)c2)c1Cl 761478445 HGOYKIJUKQHCDW-RQOWECAXSA-N 321.685 4.525 30 20 DJED C=CC[C@H](N[C@H](C)c1csc(C(C)C)n1)c1ccncc1 769419546 YTLRCYLKODWYTE-HIFRSBDPSA-N 301.459 4.630 30 20 DJED O=C(/C=C/c1ccn(-c2ccccc2)n1)c1coc2ccccc12 773154246 SUNRZBYDYUQOLE-ZHACJKMWSA-N 314.344 4.515 30 20 DJED C[C@H](OC(=O)/C=C/c1ccccc1C#N)c1ccccc1Cl 775081638 FTALBQGWHSJVJU-NHAQELONSA-N 311.768 4.529 30 20 DJED CC[C@@H](Cc1ccc(C)cc1)Nc1ccccc1O[C@H](C)C#N 780746327 YPWDKHBWYXIHPZ-AEFFLSMTSA-N 308.425 4.719 30 20 DJED Cc1cc(OC(=O)C[C@@H](CC#N)c2ccccc2)ccc1Cl 796517517 VNUWJNFRMPMVFC-OAHLLOKOSA-N 313.784 4.641 30 20 DJED CC(C)n1cc(/C=C\C(=O)c2ccc(C3CCCCC3)cc2)nn1 806569284 PKIYGFGWGWVNLH-SEYXRHQNSA-N 323.440 4.803 30 20 DJED C=C[C@H](Cc1nc(-c2cccc(Cl)c2)no1)c1ccccc1 904289652 IGBAXPMRSUKLHR-CYBMUJFWSA-N 310.784 4.902 30 20 DJED CC[C@H](C#N)[C@H](OC(=O)C[C@H](C)c1ccco1)c1cccs1 1123106234 MCGAGWRDSBUUCE-AHIWAGSCSA-N 317.410 4.669 30 20 DJED CCc1ccc([C@@H](C)CC(=O)O[C@H](C)c2ccc(C#N)cc2)cc1 1126712750 KNJCKTNUFWUKFF-JKSUJKDBSA-N 321.420 4.919 30 20 DJED CC(C)(C#N)CCNC1(c2c(Cl)cccc2Cl)CCC1 1194029797 KLCLRARIWLFICF-UHFFFAOYSA-N 311.256 4.902 30 20 DJED C=C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 1214562924 ZXZANWWCCDXAHT-UHFFFAOYSA-N 321.207 4.828 30 20 DJED CCCC(C)(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 1264596993 RWXSPQGPKQPSOM-UHFFFAOYSA-N 323.396 4.510 30 20 DJED C[C@H]1C[C@H](C(=O)N(c2ccccc2C#N)C2CCC2)CC[C@H]1C 1279123038 VOINQCLJUIPRMP-OWCLPIDISA-N 310.441 4.516 30 20 DJED C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(C)(C)C 1349985293 RSOLINWQSZGXAH-HNNXBMFYSA-N 320.436 4.673 30 20 DJED CCc1cc(C#N)c(NC(=O)C(CC(C)C)CC(C)C)s1 1351203304 CGDRTSUNZJRSFW-UHFFFAOYSA-N 306.475 4.829 30 20 DJED CCN(C(=O)c1cc(C#N)ccc1F)c1cccc2ccccc12 1351562518 PEWHEHAHRIOVHY-UHFFFAOYSA-N 318.351 4.517 30 20 DJED CCc1c(C)sc(NC(=O)C[C@@H](C)CC(C)(C)C)c1C#N 1352443219 RRGMUOJLETWCKU-LLVKDONJSA-N 306.475 4.892 30 20 DJED Cc1ccc([C@H]2C[C@@H](C)N(C(=O)CC3(C#N)CCCCC3)C2)cc1 1436086731 IVMMFEPNYMWRRY-MJGOQNOKSA-N 324.468 4.564 30 20 DJED Cc1ccc(C)c([C@H]2CCCN2Cc2cccc(C#N)c2F)c1 1459769513 GOHUIGGFDXPJAX-LJQANCHMSA-N 308.400 4.651 30 20 DJED CCC[C@H](CC(C)C)C(=O)Nc1sc2c(c1C#N)CCC2 1530058359 WNMXWAKBZPUUPJ-GFCCVEGCSA-N 304.459 4.509 30 20 DJED Cc1ccc(C(=O)NC(C)(C)c2ccc(C(C)C)cc2)cc1C#N 1531950756 VGEAYCGMFUUUQC-UHFFFAOYSA-N 320.436 4.655 30 20 DJED CC(C)(C)c1ccc(CCC(=O)Nc2ccc(C#N)c(F)c2)cc1 1583075949 PFRFGXUCRBLCDQ-UHFFFAOYSA-N 324.399 4.566 30 20 DJED Cc1cc(F)ccc1CSc1nc2c(cc1C#N)CCCC2 1640826597 KUQAYOUJVTWITJ-UHFFFAOYSA-N 312.413 4.572 30 20 DJED Cc1cc(C)c2nc(N[C@H]3CCc4cc(C#N)ccc43)sc2c1 1642654495 WUAMIUARDSMFGS-INIZCTEOSA-N 319.433 4.884 30 20 DJED Cc1cccc2c1N(C1CC1)CCN2CCC1(C#N)CCCCC1 1654193677 SVQHNLCQLCAVNS-UHFFFAOYSA-N 323.484 4.648 30 20 DJED C[C@H](NCc1cc(C#N)ccc1F)c1ccc(Cl)cc1Cl 19980876 LAOSMWIIMJQHTG-JTQLQIEISA-N 323.198 4.855 30 20 DJED Cc1cccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1C 108238679 NQLBZWSLMVREEG-CYBMUJFWSA-N 324.449 4.808 30 20 DJED N#Cc1ccc(Cl)cc1OCc1ccc(Br)cc1 129025548 KYPVCOPHMCCTMM-UHFFFAOYSA-N 322.589 4.553 30 20 DJED CC(C)c1nc([C@H](C)N[C@H](CCC#N)c2ccccc2)cs1 186427853 OLBTUQYQLFRKRF-GOEBONIOSA-N 313.470 4.962 30 20 DJED Cc1cc(F)c(Br)cc1NCCCC(C)(C)C#N 235858430 HBAJLHGIPSOHSB-UHFFFAOYSA-N 313.214 4.639 30 20 DJED N#CCCCOc1cccc(CNC2(c3ccccc3)CCC2)c1 237820562 PQBOMLOCPXFZSX-UHFFFAOYSA-N 320.436 4.538 30 20 DJED O=C1/C(=C\c2cccnc2)CCc2c(Cl)sc(Cl)c21 255396619 MQBLODGDZLCMRO-TWGQIWQCSA-N 310.205 4.662 30 20 DJED C=C(C)COc1cccc(NC(=O)c2cc(C)c(C)s2)c1 303187787 MARGYAORVKDPOV-UHFFFAOYSA-N 301.411 4.572 30 20 DJED CC(C)(C)C[C@H](NCc1ccc(F)c(C#N)c1)c1ccccc1 323165683 UKUUIHDZDWMHJT-IBGZPJMESA-N 310.416 4.964 30 20 DJED CCc1noc(CC)c1C/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 329162809 GDJUVQTWAHFVSN-SOUVJXGZSA-N 318.461 4.862 30 20 DJED Cc1cccc(N=C(O)C2CCC(/N=C(/O)C3CC3)CC2)c1 329999229 UKLIVMXSSDOVTR-UHFFFAOYSA-N 300.402 4.508 30 20 DJED CC[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1ccc(C)cc1 353511205 BOCNEBSRIPLKPR-VQTJNVASSA-N 320.436 4.650 30 20 DJED N#CC1(CN[C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCC1 418144723 UZLKSCUQPCWMIO-ZBFHGGJFSA-N 322.374 4.625 30 20 DJED N#Cc1ccc(CN[C@H]2CCc3cc(Cl)cc(Cl)c32)s1 421888654 UEGLZXHXINMOQH-AWEZNQCLSA-N 323.248 4.704 30 20 DJED Cc1cc(NCc2ccc(CC#N)cc2)ccc1-c1ccncc1 427428196 MINIPQBOZSCYSM-UHFFFAOYSA-N 313.404 4.735 30 20 DJED CCS[C@@H]1CCCC[C@H]1NCc1ccccc1C(C)(C)C#N 429675272 XBQXSKNJGMZGFP-QZTJIDSGSA-N 316.514 4.642 30 20 DJED C=CCCCSCC(=O)N(Cc1cccc(F)c1)C(C)(C)C 437269257 OUMNOLKWOOYOLW-UHFFFAOYSA-N 323.477 4.652 30 20 DJED C[C@H](CC(=O)N[C@H](CCC#N)c1ccccc1)C1CCCCC1 439666275 OHWBRCPGBPHEET-VQIMIIECSA-N 312.457 4.754 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](CC)CC(F)(F)F 451329611 XVLAVKYUEORBBA-HNNXBMFYSA-N 313.363 4.570 30 20 DJED Cc1ccc([C@H]2OCCC[C@@H]2CNc2cccc(F)c2C#N)cc1 463063807 JASIJBSLLDJHDX-OXQOHEQNSA-N 324.399 4.586 30 20 DJED CC#CCCCC(=O)N1CC=C(c2cccc3ccccc23)CC1 464652263 XXQZSWRBRYJFAI-UHFFFAOYSA-N 317.432 4.649 30 20 DJED CC#CCCCC(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1 466651728 QOAVDTIFHUCYAN-UHFFFAOYSA-N 322.408 4.623 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(C)cc1F 471129050 KESOHTWCZFRSBL-UHFFFAOYSA-N 312.388 4.744 30 20 DJED COc1cccc([C@@H](C)N[C@H]2CCCCc3cc(C#N)ccc32)c1 481922512 PEOWVEBINYXVKP-VFNWGFHPSA-N 320.436 4.685 30 20 DJED C[C@@H](Sc1ccc(C#N)cn1)c1ccc(Br)cc1 487114986 LEKWXIQIZHNCAM-SNVBAGLBSA-N 319.227 4.569 30 20 DJED Cc1ccc2ncc(C#N)c(OCCCCC(C)(C)C#N)c2c1 488260210 HXFYMQDPIMISAI-UHFFFAOYSA-N 307.397 4.514 30 20 DJED C=C[C@@H]1CCCCN1C(=O)CC(c1ccccc1)c1ccccc1 488838412 ZTBFVNBZUXNPLE-HXUWFJFHSA-N 319.448 4.776 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1cccc(C(F)(F)F)c1 490337034 NFXPETAGBNJFIX-CYBMUJFWSA-N 318.342 4.770 30 20 DJED N#Cc1ccc(CNC2(Cc3ccc(Cl)cc3)CCC2)s1 491584005 PABZCYXMDNZWRP-UHFFFAOYSA-N 316.857 4.528 30 20 DJED CCC[C@@H](CC1CCCCC1)C(=O)NCc1cccc(C#N)c1 499345286 ZJYVRMAFRTZCMQ-IBGZPJMESA-N 312.457 4.561 30 20 DJED CSc1ccccc1C(=O)N(CC(C)C)c1ccc(C#N)cc1 500240279 LVPZWCSMUKUFND-UHFFFAOYSA-N 324.449 4.583 30 20 DJED C=C(C)COc1cccc(NC(=O)N[C@@H](C)c2ccccc2)c1 504055983 PAONBBZVKITTLV-HNNXBMFYSA-N 310.397 4.524 30 20 DJED C=CCC(C)(C)C(=O)N1CCC(c2cccc(Cl)c2)CC1 510921195 OUUGJGXOHILFGP-UHFFFAOYSA-N 305.849 4.648 30 20 DJED C=CCCc1ccccc1NC(=O)c1nsc2ccc(C)cc12 512778766 KABDJZTXVSNAIZ-UHFFFAOYSA-N 322.433 4.976 30 20 DJED C[C@H](N[C@H]1CCC[C@@H]1c1ccccc1)c1ccc(C#N)c(F)c1 538507858 HZNZZUSZJCGECV-QMIHWGKISA-N 308.400 4.684 30 20 DJED C=C[C@H](CC(=O)N1CC[C@@H](c2cccc(C)c2)C1)c1ccccc1 543338744 NBZKXXZMXHAMPX-WIYYLYMNSA-N 319.448 4.671 30 20 DJED C=C(C)CCc1noc(-c2cc(Cl)ccc2OC(C)C)n1 568139087 UMUNRTKVONATMB-UHFFFAOYSA-N 306.793 4.686 30 20 DJED CCCCN(C(=O)c1cc(C#N)ccc1Cl)c1ccccc1 578798450 IGFQEXGFHLSQIP-UHFFFAOYSA-N 312.800 4.659 30 20 DJED N#CCCCCCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 588691202 WENKXYXRVIAESL-VAMGGRTRSA-N 324.468 4.645 30 20 DJED Cc1ncccc1COc1ccc(-c2ccc(C#N)cc2)cc1 589262543 AVRTTXCOSIYBFR-UHFFFAOYSA-N 300.361 4.508 30 20 DJED CCSc1cccc(F)c1NCc1ccc(CC#N)cc1 589570689 CEDRBXMGKZHXLS-UHFFFAOYSA-N 300.402 4.616 30 20 DJED COc1ccc2oc([C@H](C)Nc3ccc(C#N)cc3F)c(C)c2c1 609288093 VWVOFOADCMKRGC-LBPRGKRZSA-N 324.355 4.934 30 20 DJED Cc1cc(C#N)ccc1CN[C@H](c1ccccc1)C1CCCC1 614401906 PLDROBDAAAUKQI-OAQYLSRUSA-N 304.437 4.888 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)c1cc(CC)c(C)s1 615971239 BPYZAYPQYYSWAW-UHFFFAOYSA-N 317.429 4.586 30 20 DJED C=CCOc1ccc(CN[C@H](C)c2cnc(C)s2)cc1Cl 631223879 IBVOXEMIBXXUJK-LLVKDONJSA-N 322.861 4.521 30 20 DJED CCc1ccc(C(=O)/C=C/c2cc(Cl)ccc2[N+](=O)[O-])s1 739424912 MNJRHQZMYIUAIR-XVNBXDOJSA-N 321.785 4.768 30 20 DJED CCCCCCCC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 739782018 URXNWJNFIQWSII-HNNXBMFYSA-N 314.429 4.879 30 20 DJED O=C(/C=C\c1ccc(F)cc1F)c1ccc(-c2ccncc2)cc1 745990096 JNBFYCJZMOUGDW-VURMDHGXSA-N 321.326 4.923 30 20 DJED C=C(C)CN(CC)C(=S)Nc1cc(Cl)cc(Cl)c1 745993800 ZUVCNFLANXBJJE-UHFFFAOYSA-N 303.258 4.588 30 20 DJED CCc1ccc(C(=O)/C=C\c2cc3cccc(OC)c3o2)s1 747201255 YOIQOVFYHYBLCZ-CLFYSBASSA-N 312.390 4.961 30 20 DJED Cc1cc(/C=C\C(=O)c2c[nH]c3cc(F)ccc23)cc(C)c1O 749450607 AWGILYABICIMAN-UTCJRWHESA-N 309.340 4.526 30 20 DJED Cc1ccc(-c2nc(/C=C/C(=O)c3ccccc3C)co2)cc1 749886763 OZMCYFSZXJZPMG-VAWYXSNFSA-N 303.361 4.855 30 20 DJED O=C(/C=C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1Cl 750900397 NSFLNXMKDZVDOQ-ROYNJUEVSA-N 313.740 4.701 30 20 DJED CCn1nccc1/C=C/C(=O)c1ccc(-c2cccs2)cc1 753711693 LXHPJARMGNAJFM-MDZDMXLPSA-N 308.406 4.528 30 20 DJED CCCCCC1=CCCC1=NNc1ccc(C(F)(F)F)nn1 754708999 KUZNHURIHIXDOC-UHFFFAOYSA-N 312.339 4.564 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccc(-c3ccccc3F)o2)s1 762447071 NAAKHSOKKZAWII-YVMONPNESA-N 323.348 4.915 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1 777418498 MBCSNFCOOLAFIU-HXUWFJFHSA-N 320.436 4.585 30 20 DJED CC(CCCCN(C)C)=NNc1cc(Cl)ccc1Cl 781128019 SPKWEFPGRBJDBG-UHFFFAOYSA-N 302.249 4.513 30 20 DJED C=CCN(C(=O)Nc1cccnc1-c1ccc(C)s1)C(C)C 782914463 LCGUGJLPYVLBQZ-UHFFFAOYSA-N 315.442 4.547 30 20 DJED Cc1cc(/C=C/C(=O)c2ccc(N(C)C)cc2)cc2cccnc12 783698911 BJTATUNRHZBCTG-IZZDOVSWSA-N 316.404 4.505 30 20 DJED C=C(C)CNC(=S)N(CC(C)C)[C@@H](C)c1ccccc1Cl 789361209 YXHPIDBLWWSEOA-AWEZNQCLSA-N 324.921 4.810 30 20 DJED CC(=NNc1ccc(F)c(F)c1F)C1CCC(F)(F)CC1 814945929 XFKTUBMNOQVCOX-UHFFFAOYSA-N 306.278 4.717 30 20 DJED CCCCCCCCC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842939548 QXJOIZDWYQZUQM-AWEZNQCLSA-N 304.459 4.947 30 20 DJED C[C@@H](CC(C)(C)C#N)OC(=O)C[C@H](C)c1c[nH]c2ccccc12 851205708 IVWALOAWKPSSQQ-KBPBESRZSA-N 312.413 4.533 30 20 DJED FC(F)(F)c1ccc(NN=C2CC[C@H]3CCCC[C@H]3C2)nc1 915917487 DNRWCDYRFAQIFB-NEPJUHHUSA-N 311.351 4.859 30 20 DJED CC(=NNc1nccc2sccc12)c1cccc(Cl)c1 915979926 LMUMJQCYLWVQCS-UHFFFAOYSA-N 301.802 4.786 30 20 DJED CSc1ccc(/C=C/C(=O)c2cccc(OC(F)F)c2)cc1 916127981 ARDPCROKAAUDKA-JXMROGBWSA-N 320.360 4.906 30 20 DJED Clc1ccc2c(c1)C(=NNc1ncccc1Cl)CCS2 917546528 PKMPISOZLOUHQQ-UHFFFAOYSA-N 324.236 4.700 30 20 DJED C=C(C)CNc1ccccc1C(=O)Nc1ccc(F)cc1Cl 917816262 DMORUGFWKZUEMK-UHFFFAOYSA-N 318.779 4.719 30 20 DJED COc1cccc(O)c1/C=N\[C@H](C)c1ccccc1C(F)(F)F 920178011 NOAAZFINUZOCLV-VARIZKOUSA-N 323.314 4.600 30 20 DJED CCc1c(C)sc(NC(=O)C2(CC)CCCCC2)c1C#N 1125780876 YIHOLHYGFGRXIG-UHFFFAOYSA-N 304.459 4.790 30 20 DJED CCCCC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1128919965 LAURYJABKOBNIH-UHFFFAOYSA-N 310.422 4.838 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCCc2cc(Cl)ccc21 1169656363 ONOQFQDGDKWTTP-UHFFFAOYSA-N 317.219 4.818 30 20 DJED CSc1ccc(Cl)cc1NCc1ccc(C#N)c(C)c1 1178015830 JQAVSCAHGSVXRB-UHFFFAOYSA-N 302.830 4.854 30 20 DJED CC[C@H](Cc1ccccc1)N(CC)Cc1ccc(C#N)c(C)c1 1180057444 DNBWIXJESRBFCR-OAQYLSRUSA-N 306.453 4.710 30 20 DJED CC(C)(C)CN(CCC#N)Cc1nc(C2CCCCC2)cs1 1191134549 ZUDILWDXGOCFOG-UHFFFAOYSA-N 319.518 4.953 30 20 DJED Cc1cc(C#N)cc(NC(=O)N2CCCC[C@@H]2c2ccccc2)c1 1206305275 ARHPYLJJLFFZCA-LJQANCHMSA-N 319.408 4.626 30 20 DJED N#CC1(CNCc2ccc(-c3cc(Cl)ccc3Cl)o2)CC1 1321571775 HNYHYMMKFJNJHJ-UHFFFAOYSA-N 321.207 4.647 30 20 DJED C=CCC[C@H]1CCCN1C(=O)Nc1c(C)cc(OC)c(C)c1C 1350109073 IFYMSHBUVWRVEP-INIZCTEOSA-N 316.445 4.583 30 20 DJED Cc1ccc([C@@H]2C[C@H](C)N(C(=O)CC3(C#N)CCCCC3)C2)cc1 1436086732 IVMMFEPNYMWRRY-PKOBYXMFSA-N 324.468 4.564 30 20 DJED N#C[C@H]1CCC[C@H](OC(=O)c2cc3cccc(Cl)c3s2)C1 1528488705 BKQLOEOZQUVMPF-JQWIXIFHSA-N 319.813 4.794 30 20 DJED Cc1ccccc1-n1ccnc1S[C@H](C#N)C1CCCCC1 1559343439 SZEFOJHXUDWFGK-QGZVFWFLSA-N 311.454 4.745 30 20 DJED CC[C@H](Cc1ccccc1)N(CC)Cc1ccc(C#N)cc1F 1560661583 FMMJBFBNYLCKQT-LJQANCHMSA-N 310.416 4.541 30 20 DJED CC[C@@H]1CCC[C@H](CNc2cc(C#N)ccc2OC(C)C)C1 1620962533 IEAHFEHYNYMPHU-WBVHZDCISA-N 300.446 4.974 30 20 DJED CCCCN(CC)C(=O)Nc1scc(C(C)(C)C)c1C#N 1625087863 QIDPVOGJULWLAH-UHFFFAOYSA-N 307.463 4.571 30 20 DJED Cc1ccc([C@@H]2[C@H](C)CCCN2c2nccc(C)c2C#N)cc1 1642334911 RPYDXKWQYDUPTH-APWZRJJASA-N 305.425 4.548 30 20 DJED Cc1cc(CSc2ccc(C#N)cn2)ccc1N1CCCCC1 1643633231 JNLXNIHGHVOEOL-UHFFFAOYSA-N 323.465 4.544 30 20 DJED N#CCOc1ccc(CN2CCC[C@H]2CCC2CCCC2)cc1 1644947183 QUGYODKFSQYMCU-IBGZPJMESA-N 312.457 4.524 30 20 DJED Cc1cc(N[C@H](c2ccc(Cl)cc2)C2CCC2)ncc1C#N 1655114372 OWVSDNHUTDQVLG-SFHVURJKSA-N 311.816 4.868 30 20 DJED CCCN(Cc1ccc(C#N)c(C)c1)[C@@H]1CCc2ccccc2C1 1658355037 PSHPWXVONFDOEC-JOCHJYFZSA-N 318.464 4.636 30 20 DJED N#C[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)C1 1658379512 YQCQIXINZKLVKG-UWIFEVILSA-N 302.849 4.648 30 20 DJED CN(Cc1cccc(F)c1C#N)Cc1c(Cl)cccc1Cl 1663600816 QURPKYBRYLEQBD-UHFFFAOYSA-N 323.198 4.636 30 20 DJED Cc1csc(NC(=O)N[C@H]2CCC[C@@H]2CCC(C)C)c1C#N 1677351620 ROAHNKHOEDVLLE-HIFRSBDPSA-N 319.474 4.655 30 20 DJED CC(C)CC[C@H]1CCC(=NNc2ccc(F)c(C(=O)O)c2)C1 1776063109 AKUKWMZYHIRVEB-LBPRGKRZSA-N 306.381 4.528 30 20 DJED C=CCN(C(=O)c1ccc(N(CC)C(C)C)cc1)c1ccccc1 60299855 WLAMQOPXYWLVAN-UHFFFAOYSA-N 322.452 4.754 30 20 DJED C[C@@H](NCc1cc(C#N)ccc1F)c1cccc(Cl)c1Cl 90117716 GWOPZHQAJFLIDU-SNVBAGLBSA-N 323.198 4.855 30 20 DJED Cc1cc2c(S[C@H](C)c3ccc(C#N)cc3)ncnc2s1 90201455 RGPQHWWMDLJQLN-LLVKDONJSA-N 311.435 4.725 30 20 DJED Cc1ccccc1C(=O)/C=C/c1cccc(OCCCC#N)c1 102598586 WDTXCTPAZNLCOV-VAWYXSNFSA-N 305.377 4.574 30 20 DJED C=CCCCC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 177497704 OJRUAQXZNHKANU-UHFFFAOYSA-N 323.396 4.625 30 20 DJED N#CCCCCN[C@H](c1ccc(F)cc1)c1ccccc1Cl 180428997 QVXVPCJJSFHTQO-GOSISDBHSA-N 316.807 4.852 30 20 DJED CC(C)(NCc1ccc(F)cc1C#N)c1cccc(Cl)c1F 186884953 OWSKMNOMHHXRKR-UHFFFAOYSA-N 320.770 4.515 30 20 DJED CCN(CC)Cc1cccc(N[C@H](C)c2ccc(C#N)cc2)c1 192805293 DVJROPANPAWAHP-MRXNPFEDSA-N 307.441 4.573 30 20 DJED Cc1cc(C)cc(C(=O)/C=C\c2csc(-c3ccccn3)n2)c1 263634564 WHFUSFNXGSKFFI-SREVYHEPSA-N 320.417 4.718 30 20 DJED CC[C@@H](C)N(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H](C)CC 280223651 BKDCTAHKKJENPN-HUUCEWRRSA-N 300.446 4.527 30 20 DJED C[C@@H]1CC[C@@H](Nc2ccc(C#N)c(Br)c2)[C@H](C)C1 300294546 JNPUEXWCNAVJMV-UEKVPHQBSA-N 307.235 4.557 30 20 DJED CC(C)c1nnc(C/N=C(/O)[C@@H](C)CC2CCCCC2)s1 329835572 UVSXEYQDYTWCED-LBPRGKRZSA-N 309.479 4.725 30 20 DJED C=CCC[C@H](Nc1cccc(-n2cc(C)nc2O)c1)c1ccco1 353594776 NRFXOUJSKLCADA-KRWDZBQOSA-N 323.396 4.599 30 20 DJED C[C@H](Sc1ccccc1C#N)c1nnc(-c2cccs2)o1 357494428 XZICRGDNBDVUET-JTQLQIEISA-N 313.407 4.523 30 20 DJED C=CCCCN(C)C(=O)c1cc(Cl)c2cc(Cl)ccc2n1 410502563 ZVFJMKSJSAVFOT-UHFFFAOYSA-N 323.223 4.580 30 20 DJED C=CCC(C)(C)C(=O)Nc1cc(-c2cncc(F)c2)ccc1C 410841779 ISNGNDUIMMQXGL-UHFFFAOYSA-N 312.388 4.737 30 20 DJED C=CCC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccco1 417355754 BKGMGZUKDAKVAI-OALUTQOASA-N 306.409 4.826 30 20 DJED N#CCCCC(=O)Nc1cccc(CSC2CCCCC2)c1 462122989 NHQUUCPOIJHHPR-UHFFFAOYSA-N 316.470 4.885 30 20 DJED C=CC[C@H](CC)NC(=O)N(CCC)[C@@H](C)c1ccccc1OC 466410814 WMHVTTHWBYPCGT-HOTGVXAUSA-N 318.461 4.533 30 20 DJED C=CCN(CC=C)C(=O)c1cc(SC)c(Cl)cc1Cl 471139781 KQXASOJVHFLCJK-UHFFFAOYSA-N 316.253 4.530 30 20 DJED C=CCCC1(C(=O)Nc2cccc(N3CCC(C)CC3)c2)CC1 476074351 OLKJCRURNCXSTC-UHFFFAOYSA-N 312.457 4.608 30 20 DJED CCC(C)(C)CC(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 486561698 DKOIJTBPTAICAH-UHFFFAOYSA-N 316.489 4.524 30 20 DJED Cc1cc(CN[C@H](C)c2cccc(C(F)(F)F)c2)ccc1C#N 488112533 ZRIGJOFWWSDTNW-CYBMUJFWSA-N 318.342 4.736 30 20 DJED CC[C@@H](Nc1ncc(C#N)cc1Cl)c1ccc(Cl)cc1 498812031 SMZHOGDZKFQHOD-CQSZACIVSA-N 306.196 4.823 30 20 DJED C[C@H](CC1CCCCC1)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 511157265 RILDNTRRVXBVAM-CXAGYDPISA-N 318.848 4.627 30 20 DJED CC(C)(C)c1ccc([C@H](C#N)NC(=O)CC2CCCCC2)cc1 518710294 WPIQHSPDALLEJY-SFHVURJKSA-N 312.457 4.635 30 20 DJED CC(C)(CCC#N)CNCC(C)(C)Cc1cccc(Cl)c1 531789325 DOXYBWDMGIBSIF-UHFFFAOYSA-N 306.881 4.828 30 20 DJED Cc1cccnc1CSc1nc(-c2ccccc2)ccc1C#N 536739292 FDWYMHRKOPTNIE-UHFFFAOYSA-N 317.417 4.616 30 20 DJED C[C@@H](NCc1cccc(C#N)c1F)c1cccc(Cl)c1Cl 538215880 PLOPMYXXRMIEIO-SNVBAGLBSA-N 323.198 4.855 30 20 DJED CC(C)(C)[C@@H](NCC1(C#N)CC1)c1cccc(C(F)(F)F)c1 540588591 AKTQWWDQYBWWRO-AWEZNQCLSA-N 310.363 4.686 30 20 DJED COc1ccc([C@@H](CCC#N)NC[C@H](C)c2cccc(C)c2)cc1 546308617 NKKRVHWSUXXFDS-LAUBAEHRSA-N 322.452 4.742 30 20 DJED CC(C)(CCC#N)CN[C@@H]1CCC[C@H]1c1ccccc1Cl 554074790 GKIWKVKYSLQXGN-DOTOQJQBSA-N 304.865 4.896 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccc2nc(C3CC3)sc2c1 591505758 LLZRXHAVPXELFK-UHFFFAOYSA-N 315.442 4.604 30 20 DJED CC[C@H](C)CCNC(=O)Nc1ccccc1S[C@@H](C)CC#N 596732743 NQFDXFXADYEACO-KBPBESRZSA-N 319.474 4.639 30 20 DJED N#CCCCN1CCC(CCc2cccc(C(F)(F)F)c2)CC1 603857843 YBFKEXYPHFSWEN-UHFFFAOYSA-N 324.390 4.654 30 20 DJED C[C@@]1(C#N)CCCN(C(=O)c2ccc(C3CCCCC3)cc2)C1 612238295 YMOIELSZNDSGSH-FQEVSTJZSA-N 310.441 4.500 30 20 DJED C=CCCOC(=O)c1ccccc1SCc1ccc(C#N)cc1 729072491 OMTQAQFVRDHQGJ-UHFFFAOYSA-N 323.417 4.583 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)/C=C/c1ccccc1 730990561 ZWHFZXLLQVWZLW-AYJWMTRPSA-N 322.433 4.590 30 20 DJED Cc1ccnc(-c2cccc(N=Cc3cc(Cl)ccc3O)c2)n1 734303063 BZNAEPPRFMEIQC-UHFFFAOYSA-N 323.783 4.562 30 20 DJED C=CCN(C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(C)C 737495261 LMSYNOWLFOORNG-CYBMUJFWSA-N 313.363 4.622 30 20 DJED C[C@@H]1CCC[C@@H](CC(=O)[C@@H](C#N)c2ccc3ccccc3n2)C1 750667549 HIWWAXBQSUAKAU-INMHGKMJSA-N 306.409 4.627 30 20 DJED Cc1cccc2c1C/C(=C\c1ccc(Cl)nc1Cl)C2=O 761475350 DRTJVVYKARZWNN-YRNVUSSQSA-N 304.176 4.519 30 20 DJED C[C@@H](C#N)Oc1ccc(CN2CCCC[C@@H]2c2ccccc2)cc1 762792871 APYBXVWGLJEOLS-LAUBAEHRSA-N 320.436 4.705 30 20 DJED CCc1cnccc1C(=O)/C=C/c1cccc(C(F)(F)F)c1 766771308 BVEQWTXXHQDTMJ-VOTSOKGWSA-N 305.299 4.559 30 20 DJED C=C(C)[C@@H](NC(=S)Nc1ccccc1)c1ccc(F)c(F)c1 774208325 WPHHIFKNLVKEBG-MRXNPFEDSA-N 318.392 4.569 30 20 DJED C#CC[C@H](NCc1ccc(Cl)c2cccnc12)c1ccccc1 775398976 CTYNCRGEWMFJTA-IBGZPJMESA-N 320.823 4.742 30 20 DJED C[C@H](c1cccc(C#N)c1)N1CCC(c2cccc(F)c2)CC1 782181737 KORPRLYRDOPCST-OAHLLOKOSA-N 308.400 4.638 30 20 DJED O=C1/C(=C/c2ccc3cnccc3c2)CSc2ccc(F)cc21 782307768 ZTCAWFMRPMXCDA-OVCLIPMQSA-N 321.376 4.746 30 20 DJED O=C1/C(=C\c2ccc3cnccc3c2)Oc2c(Cl)cccc21 782324771 GSCQQSRQIGBZCY-CXUHLZMHSA-N 307.736 4.504 30 20 DJED CC[C@]1(C)Oc2ccc(N[C@H](C)c3ccc(C#N)cc3)cc2O1 785572283 YUJNXFZFOOJPDT-BFUOFWGJSA-N 308.381 4.629 30 20 DJED O=C(/C=C/c1ccc(-c2cccc(F)c2F)o1)c1cncs1 790219788 NKDMQZSSRGKMII-GQCTYLIASA-N 317.316 4.577 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)c(Cl)c1 797126175 CXNXVWSESRJIIR-XVNBXDOJSA-N 308.711 4.523 30 20 DJED CC(=NNc1ncnc(Cl)c1C(C)C)c1ccc(C)cc1C 797405177 ZGGYYAJDIMFTQJ-UHFFFAOYSA-N 316.836 4.706 30 20 DJED N#Cc1sc(S[C@@H]2CCCc3ccccc32)nc1Cl 804543907 CPZWPJPKUPKDIS-LLVKDONJSA-N 306.843 4.838 30 20 DJED CCCCCCCCCC(=O)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 811951892 QNRISLUEBIQTAC-HKUYNNGSSA-N 321.505 4.687 30 20 DJED CC(C)N(Cc1ccc(O[C@@H](C)C#N)cc1)[C@H](C)c1ccccc1 814169388 GVTBVMQGDWZGNK-ZWKOTPCHSA-N 322.452 4.949 30 20 DJED Cc1cc(C)c([C@@H](C)Nc2cccc(OCCCC#N)c2)c(O)c1 815602809 KZHWIPPSEYKSLW-MRXNPFEDSA-N 324.424 4.865 30 20 DJED CC(=NNc1cccc(Cl)c1F)c1nc2ccccc2s1 921137940 VAVGBXYVOCPCES-UHFFFAOYSA-N 319.792 4.925 30 20 DJED N#Cc1cc(CN[C@H]2CCCC[C@@H]2Cc2ccccc2)ccc1F 1169553923 GNHNKHWFHQQPHE-NQIIRXRSSA-N 322.427 4.588 30 20 DJED Cc1cc(C)nc(Nc2ccc(Oc3ccccc3C#N)cc2)n1 1185016386 AMYBFEHBIIJQSA-UHFFFAOYSA-N 316.364 4.501 30 20 DJED C[C@H](CCc1ccccc1)N[C@@H]1CCCc2cc(C#N)ccc21 1206329224 UFZDBCCBMYZOPF-IIBYNOLFSA-N 304.437 4.547 30 20 DJED CC1(C)CCC(C)(CNC(=O)CC2(C#N)CCCCC2)CC1 1276120022 ORUMIMXXSMTGJY-UHFFFAOYSA-N 304.478 4.573 30 20 DJED C=C(Cl)CN[C@H](C)c1ccc(OCc2cccc(C)c2)cc1 1307609673 ATOCBXQRRJZZME-MRXNPFEDSA-N 315.844 4.977 30 20 DJED CCc1cc(C#N)c(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)s1 1355622685 WMELEJBMJWSHNM-VBNZEHGJSA-N 316.470 4.727 30 20 DJED CSc1ccc(C)c(NC(=O)Nc2cc(C)cc(C#N)c2)c1 1466839288 FCCZWIRMKVSDQU-UHFFFAOYSA-N 311.410 4.541 30 20 DJED N#CCC1(CN[C@H](c2cccc(Cl)c2)C2CCCC2)CC1 1473326560 GHAQQAKKUJTYIM-KRWDZBQOSA-N 302.849 4.855 30 20 DJED CCCCN(Cc1cc(C#N)ccc1OC)[C@@H]1CCC[C@H](C)C1 1473510175 NXUZGGDPGBOPAP-QFBILLFUSA-N 314.473 4.748 30 20 DJED C[C@@H](Sc1ccnc(C#N)c1)c1ccc(OC(F)(F)F)cc1 1559084571 ZLZULYLLHWUAAO-SNVBAGLBSA-N 324.327 4.705 30 20 DJED CCOc1ccc(Oc2c(Br)cccc2C#N)cc1 1639160124 HQXNJXPDPXNSMY-UHFFFAOYSA-N 318.170 4.512 30 20 DJED C=C(Br)CN(CCCC)[C@@H](C)c1ccc(C)o1 1641609612 PRAPAEBJICVFRL-ZDUSSCGKSA-N 300.240 4.660 30 20 DJED N#Cc1cc(CN(CCc2ccccc2)C2CCCC2)ccc1F 1644553600 QYWXQVRKXMUPFK-UHFFFAOYSA-N 322.427 4.685 30 20 DJED CC(C)CN(Cc1ccc2c(c1)CCC2)c1ccc(C#N)cc1 1644856208 YSLSSZKZSMXPCX-UHFFFAOYSA-N 304.437 4.710 30 20 DJED N#Cc1cccc(CN[C@H]2CCCC[C@H]2Cc2ccccc2)c1F 1645366528 ZVUZNVVUMCEETA-PXNSSMCTSA-N 322.427 4.588 30 20 DJED CC1(C)CCC[C@@H](CNc2c(Br)cccc2C#N)C1 1651151576 YDWCSIBKRWGPCH-GFCCVEGCSA-N 321.262 4.949 30 20 DJED CC(C)N(CCC#N)Cc1cccc(Oc2ccc(F)cc2)c1 1651823206 QCFOOWGPXTUKJA-UHFFFAOYSA-N 312.388 4.742 30 20 DJED COc1cc(C#N)ccc1OCc1c(C)ccc2ccccc12 1652369244 KTBBTDTZVQFMDL-UHFFFAOYSA-N 303.361 4.608 30 20 DJED Cc1ccc([C@@H]2CCCCCN2CCc2ccc(C#N)cc2)o1 1653432421 BKJHYHXMPAOLRW-IBGZPJMESA-N 308.425 4.620 30 20 DJED Cc1ccc([C@@H]2CCCCN2c2ccc(Cl)c(C#N)n2)cc1 1655192011 KZBABDIOPCXWOD-KRWDZBQOSA-N 311.816 4.647 30 20 DJED Cc1cc(N[C@@H](C)CCC2CC2)n2c(nc3ccccc32)c1C#N 1655402581 YQNXCEUDUZGIEB-AWEZNQCLSA-N 318.424 4.658 30 20 DJED N#Cc1cc(N[C@H]2C[C@H]3CC[C@H]2C3)ccc1Oc1ccccc1 1657865718 GOIHBAPPNWSDJY-DOXZYTNZSA-N 304.393 4.951 30 20 DJED N#Cc1c(F)cccc1CN1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 1658987961 ANCYXWBNTUAHCD-RTBURBONSA-N 318.395 4.518 30 20 DJED CCCc1ccc(C(=O)/C=C\c2ccc(/C=C/C(=O)O)cc2)cc1 1776112983 RSRQOMCQWSAOMH-YCRUPXPOSA-N 320.388 4.633 30 20 DJED C=CCC1(C(=O)O)CCN([C@@H](C)c2cccc3ccccc23)CC1 1776157337 CEWUQSAAJSTJIY-INIZCTEOSA-N 323.436 4.644 30 20 DJED N#Cc1ccc(/C=C2\CCC/C(=C\c3ccc(C#N)cc3)C2=O)cc1 7739964 FLEJFAFNXSGQKC-ZIOPAAQOSA-N 324.383 4.650 30 20 DJED C=CCN(Cc1ccccc1)C(=O)c1cc2cc(C)ccc2o1 58105053 CNBGPGANNCDDFB-UHFFFAOYSA-N 305.377 4.570 30 20 DJED N#Cc1ccc(N[C@H]2CCOC3(CCCCC3)C2)cc1Cl 94367263 RJPOYBVZCFXFCK-HNNXBMFYSA-N 304.821 4.505 30 20 DJED N#Cc1ccc(CN[C@@H](c2cccc(F)c2)C2CCCC2)s1 154474553 QCPBJNAODIOSNZ-GOSISDBHSA-N 314.429 4.780 30 20 DJED Cc1noc(C)c1COc1ccc(Oc2ccc(C#N)cc2)cc1 176862864 YAHGAXWGEZWSMF-UHFFFAOYSA-N 320.348 4.534 30 20 DJED Cc1ccc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc1Cl 177750006 JNYXQWUTLSCCCG-GFCCVEGCSA-N 318.829 4.718 30 20 DJED CC[C@H](N[C@H](CCC#N)c1ccccc1)c1cccc([N+](=O)[O-])c1 181577662 PZAHHVJPGDACMJ-RBUKOAKNSA-N 323.396 4.681 30 20 DJED C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(C(F)(F)F)cc1 192149540 IKXQYUKRPMBFDL-NSHDSACASA-N 322.305 4.567 30 20 DJED N#CCCCCN[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 284325590 MAZUTWWSBFDRCW-HOTGVXAUSA-N 310.363 4.625 30 20 DJED Cc1csc(-c2ccc(Nc3c(C#N)cccc3C#N)cc2)n1 302872207 CHOPZSMBUGEUBI-UHFFFAOYSA-N 316.389 4.605 30 20 DJED Cc1ccc(N/C(O)=N/[C@@H]2CCO[C@@H](CC(C)C)C2)c(Cl)c1 330691535 GUBMSZJLVUNNHX-KGLIPLIRSA-N 324.852 4.568 30 20 DJED CC(C)(CCC#N)CN[C@@H]1CCSc2c(Cl)cccc21 348209836 APKDQANHQURNQX-CQSZACIVSA-N 308.878 4.796 30 20 DJED N#CCn1c(/C=C/c2cc3cc(F)ccc3o2)nc2ccccc21 352008720 RPQKXVZFDZTLPJ-SOFGYWHQSA-N 317.323 4.616 30 20 DJED C=C(C)CN(C)C(=O)Nc1cc(C)ccc1OCc1ccccc1 442469352 RMFMDOGGJMCWIP-UHFFFAOYSA-N 324.424 4.614 30 20 DJED CC(C)(CN[C@H]1CC[C@@H](C#N)C1)c1c(Cl)cccc1Cl 442874787 NVMBTINLGAVIEM-NEPJUHHUSA-N 311.256 4.553 30 20 DJED CC1(C#N)CCC(Nc2cccc(COCc3ccco3)c2)CC1 449041750 OKWGJBAFCOQQHA-UHFFFAOYSA-N 324.424 4.881 30 20 DJED CC[C@H]1CCCCCN1C(=O)Nc1ccc(CC#N)cc1Cl 455704735 NYBOWGWTEAAPOQ-AWEZNQCLSA-N 319.836 4.593 30 20 DJED C=CCCN(C)C(=O)c1ccccc1SCc1cccs1 466650678 XKKOJFRWAGSSMS-UHFFFAOYSA-N 317.479 4.689 30 20 DJED N#Cc1cccc(SCCCSc2cccc(C#N)c2)c1 468627456 NGXYDWWVYJNZEZ-UHFFFAOYSA-N 310.447 4.704 30 20 DJED C[C@H](N[C@H]1CC[C@H](c2ccccc2F)C1)c1ccc(C#N)cc1 481720804 UMPGVQPUOHIRER-WBAXXEDZSA-N 308.400 4.684 30 20 DJED C=CCN(CCc1ccco1)C(=O)Nc1cc(Cl)ccc1C 491369417 UMQOSQNQXUDBFF-UHFFFAOYSA-N 318.804 4.504 30 20 DJED Cc1ccc([C@@H]2CCCN2c2ccc(C#N)c(Cl)c2)s1 513744813 PTATWCNZNGGHIS-HNNXBMFYSA-N 302.830 4.923 30 20 DJED CC[C@H](CC(=O)Nc1ccc(CC#N)cc1)c1ccc(C)cc1 523100573 YDZCGWHYTRTDOV-QGZVFWFLSA-N 306.409 4.584 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1cccc2ccc(C)nc12 524962790 PSOLKLKFTXPHJX-UHFFFAOYSA-N 322.452 4.752 30 20 DJED CC[C@@H](C)Oc1cc(C)ccc1CNCC(C)(C)CCC#N 531789749 XXGWFPGKNLCTFI-MRXNPFEDSA-N 302.462 4.592 30 20 DJED CCCCCSCC(=O)c1cn(CCC#N)c2ccccc12 540347620 GWZFIKOMOOISRX-UHFFFAOYSA-N 314.454 4.661 30 20 DJED C=C[C@@H](Cc1nc(-c2ccc3[nH]ccc3c2)no1)c1ccccc1 547019559 BOGSPCCTNCJHLB-AWEZNQCLSA-N 315.376 4.730 30 20 DJED C=CCCCCCN(C)C(=O)NCc1cc2ccccc2s1 571750662 ZZISIZSANVJMPI-UHFFFAOYSA-N 316.470 4.789 30 20 DJED C[C@H](CCc1ccc(F)cc1F)N[C@H](C)c1cccc(C#N)c1 586790627 VDUKGUAMSIXUPX-ZIAGYGMSSA-N 314.379 4.508 30 20 DJED N#Cc1ccc(F)c(CN2CCC[C@H]2c2cccc(Cl)c2)c1 603855148 CNURXJQHHVIZBK-SFHVURJKSA-N 314.791 4.688 30 20 DJED C=CCCCSCC(=O)N[C@H](CC(C)C)c1ccccc1 609804733 CXTWVQAHEGVTDQ-QGZVFWFLSA-N 305.487 4.589 30 20 DJED C=C(C)COc1cccc(NC(=O)CCSCCCC)c1 610044046 LMMCQGRHKDDMCJ-UHFFFAOYSA-N 307.459 4.503 30 20 DJED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1Cl 618801695 BROILKUZLZREQQ-BBATYDOGSA-N 314.791 4.689 30 20 DJED C=CCOc1ccc(/C=C2\Cc3ccccc3C2=O)cc1Cl 727264306 PZABNTKXBJKQFN-XNTDXEJSSA-N 310.780 4.727 30 20 DJED CCSc1ccc([C@@H](C)/N=C/c2cccc(OC)c2O)cc1 728785269 BZRRBEOTVHFRSV-KZKLBEMASA-N 315.438 4.693 30 20 DJED Cc1cccc2c1C/C(=C/c1cccc(Br)c1)C2=O 729151695 VWFRYENJWJIILQ-JYRVWZFOSA-N 313.194 4.580 30 20 DJED C#CCN(C(=O)N[C@H](c1ccccc1)C1CCC1)C1CCCCC1 729613987 AXIOFHNXYJOZMW-HXUWFJFHSA-N 324.468 4.505 30 20 DJED C[C@H](SCc1ccc(OCC#N)cc1)c1ccc(F)cc1 731158954 ZGTDCDSNGFSSCT-ZDUSSCGKSA-N 301.386 4.722 30 20 DJED Cc1ccsc1C(=O)/C=C\c1ccc(Oc2cnccn2)cc1 743056529 XKVJKNSVKTXTJN-DAXSKMNVSA-N 322.389 4.535 30 20 DJED CCOc1cccc([C@@H](C)/N=C/c2cc3ccccc3nc2O)c1 745011829 AJFYVUMMBZAOIZ-CNRHGSOZSA-N 320.392 4.519 30 20 DJED N#Cc1csc(/C=C/C(=O)c2ccc(-c3ccncc3)cc2)c1 748440985 UGQVJCHHNHSZIY-AATRIKPKSA-N 316.385 4.578 30 20 DJED O=C1/C(=C\c2cnc(C3CCC3)s2)Cc2c(F)cc(F)cc21 751536687 SXDITPSQUAEMCM-WMZJFQQLSA-N 317.360 4.511 30 20 DJED O=C(/C=C/c1ccc(O)c(F)c1)c1ccc(SC(F)F)cc1 755593022 LYMYDMWSDMSDPQ-LREOWRDNSA-N 324.323 4.742 30 20 DJED Cc1ccc2c(c1)C/C(=C\c1ccc(Cl)nc1Cl)C2=O 761477376 NHIWABADVRTWET-KPKJPENVSA-N 304.176 4.519 30 20 DJED COc1ccccc1C=NOCc1cccc(Cl)c1Cl 774783661 ANGVDHRGNKZUAM-UHFFFAOYSA-N 310.180 4.553 30 20 DJED CC[C@@H](CC#N)OC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C 787092694 RZMMHXSLVFEXCC-YJBOKZPZSA-N 324.424 4.563 30 20 DJED CN(C(=O)c1cc(C#N)ccc1Cl)c1ccc2ccccc2c1 794963748 JPXPNYLUNMJSKR-UHFFFAOYSA-N 320.779 4.641 30 20 DJED CC(C)(C)c1ccc2c(c1)CCCN2C(=O)CCCCCC#N 808666302 OPACXAWKHGJPBH-UHFFFAOYSA-N 312.457 4.737 30 20 DJED CC1(CC(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)CCCCC1 813217850 PHSNUEXYYZKLNZ-ZDUSSCGKSA-N 324.346 4.637 30 20 DJED CC(=NNC1CCCC1)c1sc(-c2ccc(F)cc2)nc1C 814832235 AFROYZVJIVWVPR-UHFFFAOYSA-N 317.433 4.514 30 20 DJED Cc1ccc2ccccc2c1OCCCC1(C#N)CCOCC1 883069631 PVPDOAFLJRHPSW-UHFFFAOYSA-N 309.409 4.628 30 20 DJED C=CCC(CC=C)c1nc(-c2cccc(C(F)(F)F)c2)no1 904314555 JBODQWJDXPTDRP-UHFFFAOYSA-N 308.303 4.991 30 20 DJED N#CCCCOC(=O)c1sc2cccc(Cl)c2c1Cl 913331569 TVLYQXNQYDREMC-UHFFFAOYSA-N 314.193 4.669 30 20 DJED C=CCN(CC=C)C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C 914748538 MIJFFTQCIICBSK-QGZVFWFLSA-N 322.452 4.528 30 20 DJED CCC[C@@H](C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915179275 BUVRMBCDUWWDMF-BEFAXECRSA-N 306.409 4.717 30 20 DJED Cc1cc(C)c2c(c1)OC/C(=C/c1ccc3ncccc3c1)C2=O 920066093 LJOYCSPUYKWMLI-BOPFTXTBSA-N 315.372 4.510 30 20 DJED COc1ccc(O)c(C=Nc2cccc(-c3csc(C)n3)c2)c1 920945420 YUSKAJYLQZILLV-UHFFFAOYSA-N 324.405 4.583 30 20 DJED Cc1cc(C(=O)Nc2scc(C(C)(C)C)c2C#N)ccc1F 1129361888 WJDPGGLDPLKSPM-UHFFFAOYSA-N 316.401 4.617 30 20 DJED Cc1cc(SCc2cc(Br)cs2)ccc1C#N 1166399662 QVTMEXIIKYWJQB-UHFFFAOYSA-N 324.268 4.983 30 20 DJED N#Cc1cccc(NCc2cccc(COc3ccccc3)c2)c1 1201663929 KJEFXBUOOJLIGU-UHFFFAOYSA-N 314.388 4.749 30 20 DJED CC[C@H]1CCC[C@@H]1C(=O)N(Cc1ccco1)c1ccccc1C#N 1349928965 FFUZWVLZVPRFFE-YJBOKZPZSA-N 322.408 4.511 30 20 DJED C[C@H](OC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc(C#N)cc1 1354919451 QSYBSKPIMYYXAW-JEDBISTDSA-N 311.425 4.769 30 20 DJED CCC1(CC)CCC(NC(=O)[C@H](CC#N)c2ccccc2)CC1 1459734438 INLOBGBZSWOZMV-GOSISDBHSA-N 312.457 4.549 30 20 DJED CCN(CC1(CC#N)CC1)C(c1ccccc1)c1ccccc1 1460293845 XTYFLWQERHKTMH-UHFFFAOYSA-N 304.437 4.792 30 20 DJED C[C@H]1CCCC[C@H]1C(=O)Nc1scc(C(C)(C)C)c1C#N 1460578130 ABKUOXFEKHEQDG-NWDGAFQWSA-N 304.459 4.682 30 20 DJED Cc1ccc(CN(C(=O)c2cc(C#N)ccc2C)C(C)(C)C)cc1 1461739757 KEQXLBYJVPZPBI-UHFFFAOYSA-N 320.436 4.616 30 20 DJED CCN(CC1CCC1)C(=O)Nc1scc(C(C)(C)C)c1C#N 1466648604 ODWFEHWZZJDHDD-UHFFFAOYSA-N 319.474 4.571 30 20 DJED CCC[C@H](CC)SCC[C@](C#N)(C(C)=O)c1ccccc1 1473026018 NSHNIWXUTOJCMK-ROUUACIJSA-N 303.471 4.739 30 20 DJED CN(Cc1cccc(C#N)c1)[C@H]1CC[C@@](C)(c2ccccc2)C1 1474401416 NHLPFWLZJSBTID-LEWJYISDSA-N 304.437 4.500 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)C1CC(C)(C)CC(C)(C)C1 1529668584 DWRAXWDZNZRJEK-UHFFFAOYSA-N 306.494 4.770 30 20 DJED CCc1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)cc1CC 1544194331 MYDJVLMWFKKALK-CQSZACIVSA-N 307.393 4.601 30 20 DJED CC1=C(C(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@H]3C)CCC1 1583690466 PRFPADDCBUSSGU-ZYHUDNBSSA-N 314.454 4.744 30 20 DJED CC(C)(C)c1csc(NC(=O)CC(C2CC2)C2CC2)c1C#N 1584033935 MBDZNYGMHLHZOD-UHFFFAOYSA-N 316.470 4.682 30 20 DJED CC(C)(C#N)CCN(Cc1ccc(F)cc1Cl)CC1CC1 1617867417 CHJOBIMHVZSGEZ-UHFFFAOYSA-N 308.828 4.631 30 20 DJED Cc1cccc(CN(CC(C)C)c2nc(C#N)c(Cl)s2)c1 1642145996 CCPUSRXCLASBFF-UHFFFAOYSA-N 319.861 4.639 30 20 DJED CCC(CC)[C@H](NCc1ccc(C#N)cc1OC)c1ccccc1 1642457721 UCTDRNJEIDHADH-NRFANRHFSA-N 322.452 4.834 30 20 DJED CC[C@@H]1CN(Cc2ccc(C#N)s2)CC[C@H]1c1ccccc1 1644758379 BCHMJUSJWIXFQV-DNVCBOLYSA-N 310.466 4.635 30 20 DJED N#Cc1ccccc1-c1ccc(CN2CCC3(CCC3)C2)cc1 1645465839 BGYZYDUOSOCMQD-UHFFFAOYSA-N 302.421 4.601 30 20 DJED CCC(CC)(CNc1ncccc1C#N)c1ccc(Cl)cc1 1651465120 DLAZQGQJMBRXDS-UHFFFAOYSA-N 313.832 4.777 30 20 DJED CC(=O)c1cc(Cl)ccc1OCc1ccc(Cl)cc1C#N 1655982209 WFEODROFRBNAGD-UHFFFAOYSA-N 320.175 4.647 30 20 DJED COc1ccc(C#N)cc1CN(c1ccc(F)cc1)C1CCCC1 1657681469 BAQAILCEWLNGBK-UHFFFAOYSA-N 324.399 4.655 30 20 DJED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(SC)cc1)CC2 60247458 WFDWBOXCGKIGSU-RVDMUPIBSA-N 310.418 4.630 30 20 DJED CC(C)C[C@H](NCc1cc(C#N)ccc1F)c1cccs1 90117425 XPDRNGZZMWRKPP-INIZCTEOSA-N 302.418 4.636 30 20 DJED COc1ccc(CN(CCCC(C)(C)C#N)[C@@H](C)C2CC2)cc1 174832384 ZOSRGBUFHITWNA-INIZCTEOSA-N 314.473 4.626 30 20 DJED CC(C)[C@@H](NCc1cc(C#N)cs1)c1ccccc1Cl 177702156 JYFHAQUVEJGNHL-MRXNPFEDSA-N 304.846 4.760 30 20 DJED CC(C)(C#N)CCC[S@@](=O)Cc1cc(Cl)ccc1Cl 178107802 LNAKRUKJKUGOGU-LJQANCHMSA-N 318.269 4.572 30 20 DJED CC[C@H](Nc1cccc(OCCCC#N)c1)c1ccccc1O 193905906 KKXJRZMQLUEBRW-SFHVURJKSA-N 310.397 4.638 30 20 DJED N#Cc1cccc(CN[C@H](c2ccccc2F)C2CCCC2)c1 237876182 SCYOZLGXOKOAPP-FQEVSTJZSA-N 308.400 4.718 30 20 DJED Cc1ncccc1/C=C\C(=O)c1ccc(SC(F)F)cc1 255208012 KAJANZIVQCJASC-TWGQIWQCSA-N 305.349 4.601 30 20 DJED CCO[C@H](C)c1ncc(/C(O)=N/C2CCC(C(C)C)CC2)s1 331076455 LNCNKQCVZZFNSM-IYXRBSQSSA-N 324.490 4.760 30 20 DJED C=CCC[C@H](NCc1cc(C)on1)c1ccc(C(F)(F)F)cc1 342217249 FPOCHESZDSPRQU-INIZCTEOSA-N 324.346 4.799 30 20 DJED CC(C)c1cccc(NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c1 425623766 PVSZIUUCEMPJEC-HNNXBMFYSA-N 321.424 4.907 30 20 DJED C=CCC1(C(=O)N(C)c2nc3cc(Cl)ccc3s2)CCC1 435985861 SQKIPLFYHOODKZ-UHFFFAOYSA-N 320.845 4.659 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cc2cc(Cl)ccc2o1 436308931 RDVDYCPOUHVQAP-JCGVRSQUSA-N 319.832 4.718 30 20 DJED C=CCC(CC=C)C(=O)N(C)c1nc2ccc(Cl)cc2s1 436448973 LLDKVWDKEVQVSL-UHFFFAOYSA-N 320.845 4.681 30 20 DJED Cc1c(CNCc2ccc(C#N)o2)sc2ccc(Cl)cc12 441361106 SEMWGNSEXFOWEJ-UHFFFAOYSA-N 316.813 4.618 30 20 DJED CC[C@@H](NCC1(CCOC)CCCCC1)c1ccc(C#N)cc1 447592315 KPGXSVUMQIXNBT-LJQANCHMSA-N 314.473 4.586 30 20 DJED CC1(C#N)CCC(N[C@@H]2CCCOc3cc(Cl)ccc32)CC1 453172958 HKYBAARRCCVNIH-BFHRDPOASA-N 318.848 4.616 30 20 DJED N#CCCCOc1cccc(NC[C@@H]2C[C@H]2c2ccccc2)c1 459336657 CNMCBFMVPPKCRC-PXNSSMCTSA-N 306.409 4.585 30 20 DJED Cc1ccccc1[C@@H]1CCCN1c1nc(C)c(C#N)cc1Cl 461783747 FJYZTGTUUXKBML-KRWDZBQOSA-N 311.816 4.565 30 20 DJED C=CCCC[C@H](C)N[C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 474878922 AWNKPEZVRGYNRN-XHSDSOJGSA-N 305.462 4.530 30 20 DJED C=CCCC1(C(=O)Nc2ccc(-c3nc(C)cs3)cc2)CC1 475538925 VIJUOFRJDVGMDY-UHFFFAOYSA-N 312.438 4.803 30 20 DJED CC(C)CC[C@@H]1CCCN1C(=O)C[C@@H](CC#N)c1ccccc1 476372451 GMJGSPFAQSYQSZ-MOPGFXCFSA-N 312.457 4.501 30 20 DJED N#CC[C@@H](CC(=O)Nc1ccc(C2CCC2)cc1)c1ccccc1 477098261 HCQULZNYZJPEGM-IBGZPJMESA-N 318.420 4.980 30 20 DJED C=CCn1cccc1C(=O)Nc1ccccc1-c1cccs1 490053970 MCDMEEXIUFQNKO-UHFFFAOYSA-N 308.406 4.655 30 20 DJED CCN(CCO[C@@H]1CCCC[C@H]1C)[C@H](C)c1ccc(C#N)cc1 497621110 SDEHIFHHPUJGAQ-MBOZVWFJSA-N 314.473 4.536 30 20 DJED C=C(C)CN(CC)C(=O)N[C@H](CCCC)c1ccc(OC)cc1 503770324 NGDMYYYNSXEZNB-GOSISDBHSA-N 318.461 4.534 30 20 DJED Cc1csc(-c2ccc(Nc3cccc(F)c3C#N)cc2)n1 506758153 FLGALDWSAKBIFT-UHFFFAOYSA-N 309.369 4.873 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)[C@H](CC)c1ccccc1 515875341 OZKLNOIXONPQRY-GOSISDBHSA-N 311.400 4.534 30 20 DJED C[C@H](Nc1ncc(C#N)cc1Cl)c1cccc2ccccc12 524232787 KQKAONNFDVDSJX-LBPRGKRZSA-N 307.784 4.933 30 20 DJED C=C(C)[C@@H](NC(=O)c1occc1C(C)C)c1ccc(F)c(F)c1 560118804 QWFXHOACEFNIEY-MRXNPFEDSA-N 319.351 4.728 30 20 DJED CCSc1cccc(F)c1NCc1ccc(C#N)cc1F 589571026 WXAUDUZPZILBRP-UHFFFAOYSA-N 304.365 4.561 30 20 DJED CCC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(OC)cc1 610829745 IGIZXQWVFPCHOP-FOIQADDNSA-N 308.425 4.759 30 20 DJED N#C[C@H]1CCC[C@@H](Nc2ccccc2SCC(F)(F)F)C1 613252207 CHAFNWNXXJVAOM-NWDGAFQWSA-N 314.376 4.835 30 20 DJED COCCCC[C@H](NCc1ccc(C#N)cc1C)c1ccccc1 619292047 SAXVJEPVZZVSNB-NRFANRHFSA-N 322.452 4.514 30 20 DJED C=C(CN[C@H](C)c1sc(C(C)C)nc1C)c1ccccc1 675783744 SEPZCEIFUGABDL-CQSZACIVSA-N 300.471 4.939 30 20 DJED CCCC(=NNc1oc(CC(C)C)nc1C#N)C1CCCCC1 727778524 KWAKQDHQJIWQMF-UHFFFAOYSA-N 316.449 4.893 30 20 DJED C=C1CCN(C(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)CC1 731197682 ZMTVUBKZTIBWTP-QGZVFWFLSA-N 322.452 4.506 30 20 DJED N#C[C@H](C(=O)/C=C/C1CCCCC1)c1ccc2ccccc2n1 735593999 SGEMICCDJWGMOU-RTGRKSDTSA-N 304.393 4.548 30 20 DJED CCCCCCCC(=O)N[C@H](C)c1nc2ccccc2n1CC 743729442 GIFPHUCIWJBYAU-OAHLLOKOSA-N 315.461 4.594 30 20 DJED C=CC[C@H](N[C@H]1CC2(CCC2)Oc2ccccc21)c1ccncc1 766020563 QIOOJYMMMAOFSX-OALUTQOASA-N 320.436 4.735 30 20 DJED N#Cc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1F 770569120 MORDRYJTNDPHDP-QHHAFSJGSA-N 320.150 4.900 30 20 DJED N#Cc1cccc(C(=O)/C=C/c2cc(F)cc(C(F)(F)F)c2)c1 772809294 XZKUADXSAJPKOQ-SNAWJCMRSA-N 319.257 4.612 30 20 DJED C#CC[C@@H](N[C@H](C)c1cnc2ccsc2c1)c1ccccc1 773116989 SNIYVIHFHYXTSL-RHSMWYFYSA-N 306.434 4.712 30 20 DJED CC(CCc1ccc(C(F)(F)F)cc1)=NO[C@@H]1CCCCO1 800814929 FCXHNMFCPDBYQQ-OAHLLOKOSA-N 315.335 4.557 30 20 DJED CC[C@@H](Nc1nc(Cl)c(C#N)s1)c1ccc(Cl)cc1 804340252 NZWNNETVPITMKY-SNVBAGLBSA-N 312.225 4.885 30 20 DJED N#Cc1sc(N[C@@H](c2ccccc2)C2CCC2)nc1Cl 804430622 CDOLOXUHANCHAP-ZDUSSCGKSA-N 303.818 4.621 30 20 DJED N#CCCCCCC(=O)OCc1csc(C2CCCCC2)n1 805697293 XAFRRGWGWWGNOF-UHFFFAOYSA-N 320.458 4.708 30 20 DJED C=CCC(F)(F)C(=O)Nc1cccc(COC2CCCCC2)c1 815121744 OQNSQBGLMFZOJL-UHFFFAOYSA-N 323.383 4.686 30 20 DJED O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)c1ccncc1 834680669 FFXJRSHPEORDOB-ALCCZGGFSA-N 309.365 4.845 30 20 DJED CC(=NNc1cc(C(F)(F)F)ccn1)C1CCC(F)(F)CC1 834983902 JHAAHHDZGQTPKT-UHFFFAOYSA-N 321.293 4.714 30 20 DJED CCC[C@H](CC(C)C)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 835201030 ROFNRSIXMNTINH-KGLIPLIRSA-N 306.475 4.905 30 20 DJED CC(C)Oc1ccccc1C=NOCc1c(F)cccc1Cl 852285088 ZPSWCVWYHWGVDL-UHFFFAOYSA-N 321.779 4.817 30 20 DJED CC(=NNc1cc(C)cc(C)c1)c1[nH]c(-c2ccccc2)nc1C 915111308 GGMODGGTRKGHCN-UHFFFAOYSA-N 318.424 4.838 30 20 DJED Cc1ncc(C=NNc2c(Cl)cc(Cl)cc2Cl)s1 917530581 OFUHJUJFQMNCLZ-UHFFFAOYSA-N 320.632 4.858 30 20 DJED CCn1cc(C(=O)/C=C/c2cccc(Oc3ccccc3)c2)cn1 920991850 PSXCXHAKCHPVIA-VAWYXSNFSA-N 318.376 4.591 30 20 DJED Cc1ccccc1SCc1ccc(C#N)cc1Br 1165562464 MKHHZRBERUPWEY-UHFFFAOYSA-N 318.239 4.922 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1cccc(Cl)c1F 1189562101 YKHBONODBDEDOU-UHFFFAOYSA-N 310.155 4.892 30 20 DJED C[C@@H](Cc1ccc(F)cc1Cl)Nc1cc(F)cc(C#N)c1 1207134938 DZLZWKKXFPSELQ-JTQLQIEISA-N 306.743 4.533 30 20 DJED CC(C)(NC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 1214368444 YJCOWBJKDJCIOX-UHFFFAOYSA-N 319.836 4.692 30 20 DJED Cc1ccc(CCCN(CC(C)C)c2ccc(C#N)cc2)cc1 1307551184 DUYBIKDXRJRPSY-UHFFFAOYSA-N 306.453 4.962 30 20 DJED CC(C)C[C@@H](c1ccccc1)c1nnc(-c2ccc(C#N)cc2)o1 1349935253 VKOXVMIJFHUMAN-SFHVURJKSA-N 317.392 4.786 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1ccc(C)c(Cl)c1Cl 1457268951 UWAANXVIPOTEBA-UHFFFAOYSA-N 319.191 4.734 30 20 DJED C[C@@H](OC(=O)[C@H](C)c1cc2ccccc2o1)c1cccc(C#N)c1 1457764492 VUAAWRZYDGRJTO-ZIAGYGMSSA-N 319.360 4.712 30 20 DJED CCO[C@@H]1C[C@H](NCCC2(C#N)CCCCC2)C12CCCCC2 1473448743 VNARVRVDUUZPBK-ZWKOTPCHSA-N 318.505 4.568 30 20 DJED CC[C@@H](C)[C@H](C(=O)O[C@H](C)c1cccc(C#N)c1)c1ccccc1 1516898192 CYFJPVZNROMABW-QINHECLXSA-N 321.420 4.992 30 20 DJED Cc1ccccc1[C@@H](C)CC(=O)Nc1ccc(Cl)cc1C#N 1528631923 KXOCJASUIZLHLB-ZDUSSCGKSA-N 312.800 4.652 30 20 DJED CN(C(=O)CC1CCC(C(C)(C)C)CC1)c1ccc(C#N)cc1 1532302916 PSWYRKWZMSIZIM-UHFFFAOYSA-N 312.457 4.764 30 20 DJED CCc1ccc([C@H](C#N)N(C)C(=O)CC2CCCCCC2)cc1 1534662822 LSRSEHDYWFRXLO-IBGZPJMESA-N 312.457 4.633 30 20 DJED C=C(CNC(=O)N[C@H]1CCC[C@H](C(C)C)CC1)c1ccccc1 1564611456 WMWFSHVGOALEOH-HKUYNNGSSA-N 314.473 4.604 30 20 DJED CC(C)(C#N)CCN1CCC(c2cccc3ccccc23)CC1 1615326873 KFCMRHUHSLAANG-UHFFFAOYSA-N 306.453 4.959 30 20 DJED N#Cc1ccc(CCN(C2CC2)[C@H]2CCCc3ccccc32)cc1 1615914794 MHPPQFLCZNMTGK-QFIPXVFZSA-N 316.448 4.643 30 20 DJED CNc1ccc(C#N)cc1NC(=O)c1ccc(C2CCCC2)cc1 1633875830 RSTBCZUZYFNWON-UHFFFAOYSA-N 319.408 4.510 30 20 DJED Cc1cc(Nc2c(Br)cccc2C#N)ccc1F 1650724700 ZGOMFPISSWSRPR-UHFFFAOYSA-N 305.150 4.512 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1CCC(=Cc2ccccc2F)CC1 1653782165 PQWCQZSVJRLIFO-INIZCTEOSA-N 320.411 4.938 30 20 DJED Cc1ccc(CSc2nc3c(c(C)c2C#N)CCC3)c(C)c1 1656126772 BFAUQJWICPKUAB-UHFFFAOYSA-N 308.450 4.660 30 20 DJED CCc1oc2ccccc2c1CN(C)Cc1cccc(F)c1C#N 1659229391 ORDDZNGIPFOCCM-UHFFFAOYSA-N 322.383 4.638 30 20 DJED CCCCN(C(=O)Nc1sccc1C#N)[C@H]1CCC[C@@H](C)C1 1663159894 SMUZGXIZOBOWEI-HIFRSBDPSA-N 319.474 4.832 30 20 DJED CC(C)(C)c1ccc(C(=O)/C=C\c2csc(C(=O)O)c2)cc1 1776119972 QXPGWLNWRNCQGC-WTKPLQERSA-N 314.406 4.640 30 20 DJED O=C(/C=C/c1ccc(Br)cc1)c1ccc(F)c(F)c1 6337295 DVAOMAQCBCYUFC-FPYGCLRLSA-N 323.136 4.623 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)c2csc3ccccc23)cc1 29153216 APCDASAZFYDZIQ-UHFFFAOYSA-N 320.417 4.955 30 20 DJED CSc1ccc(/C=C\C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 33716220 AXQFDWJTEMZOOG-POHAHGRESA-N 313.378 4.521 30 20 DJED CC(C)c1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1 58236245 DWFWZIFEHQUTMR-UHFFFAOYSA-N 324.449 4.554 30 20 DJED C=CCOc1ccc(CN[C@H](CC)c2ccc(OC)cc2)cc1 60844358 HITDPYDCDOLHMD-HXUWFJFHSA-N 311.425 4.501 30 20 DJED N#CCCn1cc(-c2csc(-c3ccoc3)n2)c2ccccc21 78527027 GYOAQYPXOPUFKR-UHFFFAOYSA-N 319.389 4.938 30 20 DJED C=C[C@H](CC(=O)Nc1cccc2cnccc12)c1ccccc1 89485331 DNHSJVWKGTYZIZ-OAHLLOKOSA-N 302.377 4.533 30 20 DJED CC[C@H](NCc1ccc(F)cc1C#N)c1ccc(Cl)cc1 103139568 RMVMWYBTPHWTMO-KRWDZBQOSA-N 302.780 4.592 30 20 DJED CCc1cc(C#N)c(NC(=O)c2c(CC)oc3ccccc23)s1 119131474 FOUOJISIOMMQRN-UHFFFAOYSA-N 324.405 4.743 30 20 DJED CCCCCCCCC(=O)[C@H](C#N)c1nc2ccccc2n1C 122136384 ZDRANLFBWQELOE-HNNXBMFYSA-N 311.429 4.500 30 20 DJED N#Cc1cc(Cl)ccc1N[C@H]1CCO[C@@H](c2ccccc2)C1 160581696 OAIDBUBJZGBKNM-FUHWJXTLSA-N 312.800 4.544 30 20 DJED CC(C)Sc1ccc([C@@H](C)NCc2ccccc2C#N)cc1 179084780 MMEMMBLMFGQIKH-OAHLLOKOSA-N 310.466 4.910 30 20 DJED CC(C)c1cccc(-c2ccc(C(=O)N(C)C3(C#N)CCC3)o2)c1 182021593 UKJCLVHWFSVJPU-UHFFFAOYSA-N 322.408 4.588 30 20 DJED CC(C)(C)c1ccc(C(=O)/C=C\c2csc([N+](=O)[O-])c2)cc1 207189870 SBIGDABQJKSLNH-WTKPLQERSA-N 315.394 4.850 30 20 DJED N#CCc1ccc(NCc2ccc(SC(F)(F)F)cc2)cc1 237765129 HMFSPSVKQHBJAC-UHFFFAOYSA-N 322.355 4.977 30 20 DJED CSc1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 272304344 RYYWFTDYNJZKSB-AWEZNQCLSA-N 308.450 4.620 30 20 DJED C=CCC[C@H](Nc1nnc(-c2ccccn2)s1)c1ccccc1 302231109 RYFAYIBYWHGUKZ-HNNXBMFYSA-N 322.437 4.720 30 20 DJED C=CCN(CC1CCCCC1)C(=O)[C@@H](C)c1cccc(F)c1 303996650 JRUHCWWXBXVUJU-HNNXBMFYSA-N 303.421 4.524 30 20 DJED CC1CCC(C)(/N=C(/O)c2ccc3c(c2)N=C(O)C3(C)C)CC1 328771898 AUDRADMUAVOXIL-UHFFFAOYSA-N 314.429 4.839 30 20 DJED C=CCC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccco1 417355750 BKGMGZUKDAKVAI-MOPGFXCFSA-N 306.409 4.826 30 20 DJED CC[C@H]1CC[C@H](C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 439526274 ZPIRCLMAMIUCHL-LEAZDLGRSA-N 324.468 4.501 30 20 DJED Cc1ccc([C@@H]2CCC[C@H]2N(C)Cc2ccc(C#N)cc2)cc1 441352438 XSQVRXIMODTJLJ-LEWJYISDSA-N 304.437 4.635 30 20 DJED C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1Cl 453250653 YIAODWUJMUJMIJ-VOJFVSQTSA-N 314.791 4.689 30 20 DJED CCN(C(=O)Nc1ccc(CC#N)cc1Cl)C1CCCCC1 455700424 IOCWDLYIKBFBIM-UHFFFAOYSA-N 319.836 4.593 30 20 DJED C=C[C@](C)(CC)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 463285944 JOBCKWPDTFWBCK-XJKSGUPXSA-N 309.862 4.595 30 20 DJED C=CCC[C@@H](CC)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 483637513 HTDYIPJHXBXUCZ-DZGCQCFKSA-N 317.408 4.580 30 20 DJED C=CCC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 487745990 BWGYRFUDLIUDIV-QGZVFWFLSA-N 324.380 4.592 30 20 DJED C=CCOc1ccc(-c2nnc(S[C@@H]3C=CCCC3)o2)cc1 489810097 QJMAYQRMJFDZDI-OAHLLOKOSA-N 314.410 4.502 30 20 DJED C[C@H](c1ccccc1)N(C(=O)c1cc(C#N)ccc1Cl)C1CC1 508531373 MZALWIWGINLLKK-CYBMUJFWSA-N 324.811 4.577 30 20 DJED CC[C@@H](CC1CCCC1)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 513433361 XVAWHOJUQRBKKB-IBGZPJMESA-N 324.468 4.656 30 20 DJED N#Cc1nnc2ccccc2c1Sc1ccc2ccccc2c1 525358169 BADKAXMZANNGEZ-UHFFFAOYSA-N 313.385 4.806 30 20 DJED CCN(C(=O)CCC1CCCC1)c1ccc(C#N)c(Cl)c1 535880050 NYLMHCVNMVOZQQ-UHFFFAOYSA-N 304.821 4.535 30 20 DJED C=CCCC[C@@H](C)NC(=O)N(CC)[C@@H](C)c1cccc(OC)c1 537274106 VWOLJTAKPALZCN-CVEARBPZSA-N 318.461 4.533 30 20 DJED C[C@H](NCc1ccc(CC#N)cc1)c1cccc(Cl)c1Cl 541324280 CNDAPNABAHVEHP-LBPRGKRZSA-N 319.235 4.910 30 20 DJED C=CC[C@H](CC)NC(=O)N[C@H](C)c1cc2ccccc2s1 541782591 OIHGFVDYPQYSFM-OCCSQVGLSA-N 302.443 4.616 30 20 DJED CC[C@@H](CC(F)(F)F)NCc1cc(F)cc(C(F)(F)F)c1 544841749 PYFLEKFPCUHNGV-NSHDSACASA-N 317.248 4.665 30 20 DJED C=C(C)C[C@@H](C)c1nc(-c2ccccc2COC(C)C)no1 561879115 QKDCILYPDKEEJX-CQSZACIVSA-N 300.402 4.731 30 20 DJED Cc1cc(F)cc(-c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)c1 567145198 JDDJKABODJEQIC-UHFFFAOYSA-N 321.355 4.652 30 20 DJED C=C(C)CCc1noc(-c2sc(C)nc2-c2ccccc2)n1 571482807 WRVDAUWOHDQZPZ-UHFFFAOYSA-N 311.410 4.677 30 20 DJED C[C@H](NCCCSCc1ccccc1)c1ccc(C#N)cc1 574465819 RLYAYOOCXCCZOQ-INIZCTEOSA-N 310.466 4.532 30 20 DJED CCCOc1cc(C)ccc1CN[C@@H](CC)c1ccc(C#N)cc1 576305660 NUTIGTBCVQBGFO-FQEVSTJZSA-N 322.452 4.896 30 20 DJED C=CCC(C)(C)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 576592758 YKPDJYHSWDXDQI-CYBMUJFWSA-N 314.454 4.590 30 20 DJED N#Cc1ccc(CNCc2ccc(C3CCCC3)cc2)c(F)c1 589731579 MBWAABSPOSRFFZ-UHFFFAOYSA-N 308.400 4.645 30 20 DJED C#Cc1cccc(N(Cc2ccco2)C(=O)CC2CCCCC2)c1 728185972 UCQFAXJCEJNUKY-UHFFFAOYSA-N 321.420 4.765 30 20 DJED CCc1oc2ccccc2c1C=NNc1cccc2cnccc12 728432210 PFAGPVGIKOQYLJ-UHFFFAOYSA-N 315.376 4.989 30 20 DJED C#Cc1cccc(N(CC)C(=O)c2ccc(CSCC)cc2)c1 728480335 NSCFTOJRMWEYLQ-UHFFFAOYSA-N 323.461 4.588 30 20 DJED Cc1cccc2nc([C@H](C#N)C(=O)C[C@H](C)CC(C)(C)C)[nH]c12 735793337 SOAIKHSZONDBDK-GXTWGEPZSA-N 311.429 4.510 30 20 DJED CCCCCC[C@@H](C)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 742068933 QYTUHFHWZVGECY-CZUORRHYSA-N 306.837 4.627 30 20 DJED CC(CC(C)(C)c1ccccc1)=NNc1ccc(Cl)nc1 743450458 QNDZTZWNEAVBHJ-UHFFFAOYSA-N 301.821 4.891 30 20 DJED Cc1ccc(C=NNc2cccc3ccccc23)cc1[N+](=O)[O-] 747060546 WITHRIXEXOEIDH-UHFFFAOYSA-N 305.337 4.502 30 20 DJED O=C(/C=C/c1cc(F)c(O)c(F)c1)c1ccc2ccccc2c1 749886819 QOXAIHPUUUYJRO-VMPITWQZSA-N 310.299 4.720 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1 758179026 CENGWOMWNYKGRN-KRWDZBQOSA-N 320.436 4.585 30 20 DJED C=CCC(CC=C)C(=O)O[C@H](C)c1ncc(-c2ccccc2)o1 759012538 WXHBHSQJBAYCEV-CQSZACIVSA-N 311.381 4.714 30 20 DJED CCCC1(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)CC1 761049751 QNTYSTRRERFQAP-OAHLLOKOSA-N 324.449 4.875 30 20 DJED CCCCCCCC(=O)N(C)[C@@H]1CCCc2nc(CC)sc21 763802394 WVMOTIIFCWEHKM-OAHLLOKOSA-N 322.518 4.902 30 20 DJED O=C(/C=C/c1cccc(F)c1)c1ccc(Br)cc1F 767735206 AESZNILSMCOLEJ-QPJJXVBHSA-N 323.136 4.623 30 20 DJED C=CCC[C@@H](NCc1occc1Br)c1ccccc1 771992085 JCTAWHWCUQHCME-OAHLLOKOSA-N 320.230 4.839 30 20 DJED C[C@H](Nc1ccc(F)cc1OC(F)F)c1ccc(C#N)c(F)c1 777709882 UDRQOWFYCPWEJM-VIFPVBQESA-N 324.277 4.611 30 20 DJED CC(C)(C)c1cnc(SCc2ccc(CC#N)cc2)s1 783906050 BFFJGZYPQDOXCX-UHFFFAOYSA-N 302.468 4.799 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2ccc3cnccc3c2)c(Cl)c1 788360553 ZBXMOHVKOBADGY-ZZXKWVIFSA-N 318.763 4.656 30 20 DJED CC(C)(C)c1cnc([C@H](C#N)C(=O)/C=C/C2CCCCC2)s1 797570532 IFHKVHXZSCABEO-ATWMFIQVSA-N 316.470 4.753 30 20 DJED Cc1nn(C)c2sc(C(=O)/C=C/c3cscc3Cl)cc12 806577081 QBMDSSMHYYWHIK-ONEGZZNKSA-N 322.842 4.554 30 20 DJED CCCC[C@H](CC)CC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842940913 FUEOGVNTBYBRND-JSGCOSHPSA-N 304.459 4.803 30 20 DJED C[C@@H](Cc1ccc(C#N)cc1)c1nc(-c2ccccc2Cl)no1 904570487 OUECCXBEEBCVRJ-LBPRGKRZSA-N 323.783 4.608 30 20 DJED Cc1ccc(/C=C\C(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 916134787 AECQQNFHUVBKNX-QXMHVHEDSA-N 317.344 4.953 30 20 DJED C=CCN(C(=O)Nc1ccccc1Cc1ccccc1)C(C)C 916707134 IOHVZBIDHHEDKP-UHFFFAOYSA-N 308.425 4.706 30 20 DJED CCC/C=C\C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 920457177 NBQFIBUXAMGEAV-AJWDXOCTSA-N 304.393 4.637 30 20 DJED C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)CC1(C#N)CCCCC1 1129395462 PTMHTPRKDXILNR-HOTGVXAUSA-N 304.478 4.524 30 20 DJED N#Cc1c(F)cccc1SC1CC(OCc2ccccc2)C1 1166246818 MSRCRKSYKTUNCT-UHFFFAOYSA-N 313.397 4.537 30 20 DJED N#Cc1cc(CN2CCC(CCc3ccccc3)CC2)ccc1F 1176193178 KVWXSHRWARPFNP-UHFFFAOYSA-N 322.427 4.542 30 20 DJED Cc1nc(S[C@H]2CCOc3ccccc32)c(Cl)cc1C#N 1185726714 RTPCDTASNDOWIO-HNNXBMFYSA-N 316.813 4.531 30 20 DJED CCCC[C@H](C)N(CCCC)C(=O)Nc1cccc(CC#N)c1 1205390262 OQPLBFXEPNFFAA-INIZCTEOSA-N 315.461 4.965 30 20 DJED Cc1c(C(=O)N[C@H](C)CCC(C)C)sc2ccc(C#N)cc12 1264164058 LHDZDQQNKGXDOE-GFCCVEGCSA-N 314.454 4.636 30 20 DJED CN(C(=O)CC1(C#N)CCCCC1)[C@@H]1CCC[C@H]1c1ccccc1 1436656531 PWFSTTZPHOIDMF-RBUKOAKNSA-N 324.468 4.645 30 20 DJED Cc1c(C#N)cccc1NC(=O)N[C@@H](c1ccccc1)C(C)(C)C 1465873266 QDWHKYJHHVXTOJ-SFHVURJKSA-N 321.424 4.776 30 20 DJED N#CCc1cccc(Nc2ccnc(-c3cccc(Cl)c3)n2)c1 1472784832 GZFFYGYVQNEEGR-UHFFFAOYSA-N 320.783 4.607 30 20 DJED CCCOc1ccc(CN(CCC#N)CC(C)(C)C)c(C)c1 1474339237 GGJTTYXEEXWKRR-UHFFFAOYSA-N 302.462 4.546 30 20 DJED CC(C)[C@H](Sc1cccc(F)c1C#N)C(=O)c1ccccc1 1559419244 WRRMHOPHJSHBEH-SFHVURJKSA-N 313.397 4.697 30 20 DJED COCCN(CCC1(C#N)CCCCC1)[C@H](C)c1ccccc1 1559507146 KOXIDTDAWAXRNF-GOSISDBHSA-N 314.473 4.560 30 20 DJED Cc1ccccc1SC[C@H](C)CN(CCC#N)CCC(C)C 1559578661 PAXVNFRMZRKBNX-QGZVFWFLSA-N 318.530 4.985 30 20 DJED C[C@H](CCc1c[nH]c2ccccc12)Nc1cccc(CC#N)c1 1560837657 XXSWXJGCLYLSIY-OAHLLOKOSA-N 303.409 4.667 30 20 DJED C=C(CNC(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C)c1ccccc1 1564882343 RBAQSZMYHDUKNV-SJLPKXTDSA-N 314.473 4.556 30 20 DJED CCN(Cc1cccc(-c2ccc(Cl)cc2)c1)C[C@@H](C)C#N 1651960404 QEUFWNNWJGIKNK-HNNXBMFYSA-N 312.844 4.989 30 20 DJED CC[C@H](CN1CCC(c2ccc(C#N)cc2)CC1)c1ccccc1 1658990548 ULWBPGYGPQTBRU-LJQANCHMSA-N 318.464 4.931 30 20 DJED CCNc1ccccc1CN(CC)[C@H](C)c1ccc(C#N)cc1 1659095248 DUIIJQFFYJVQKQ-MRXNPFEDSA-N 307.441 4.573 30 20 DJED O=C(/C=C\c1ccc(C(=O)O)c(F)c1)c1ccc2ccccc2c1 1776130937 BCXIMXSIZXOLCG-POHAHGRESA-N 320.319 4.573 30 20 DJED Cc1cc(N[C@H](C)c2ccc(C#N)cc2)ccc1Br 19908100 HNPJBLNDTJLFTR-GFCCVEGCSA-N 315.214 4.802 30 20 DJED C=CCNc1nnc(S[C@H](C)c2ccc(Cl)cc2)s1 48833474 KDHRWWDMPRNEFD-SECBINFHSA-N 311.863 4.643 30 20 DJED CCOc1ccc(/C=C/C(=O)c2cccc(OC(F)F)c2)cc1 58732362 NTLXSXXEZZVVCV-DHZHZOJOSA-N 318.319 4.583 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)c2cccnc2)n1 60427332 HOHIMWSMRHKWFV-JTQLQIEISA-N 323.343 4.529 30 20 DJED C=CCOc1ccc(CN[C@H](C)c2cccc(OCC)c2)cc1 63319458 JRQLPDSNLNDYCC-MRXNPFEDSA-N 311.425 4.501 30 20 DJED CN(C(=O)c1ccccc1-c1ccccc1C#N)C1CCCCC1 78947652 CPFIRWLSAKHUPB-UHFFFAOYSA-N 318.420 4.630 30 20 DJED CCOc1cccc2cc(C(=O)/C=C/c3cccc(OC)c3)oc12 83201537 IXYHZBPVOUVDFP-ZHACJKMWSA-N 322.360 4.736 30 20 DJED C[C@H](C#N)Oc1ccc(/C=C2/C[C@@H](C)c3ccccc3C2=O)cc1 131146079 BOEYPTXMBZWUKL-AZYZYFAASA-N 317.388 4.751 30 20 DJED CCN(C(=O)c1ccccc1Cl)c1ccc(C#N)c(Cl)c1 156521694 TWWUSZXSFOFARO-UHFFFAOYSA-N 319.191 4.532 30 20 DJED Cc1cc(C)c(NC(=O)[C@H](C)Sc2cccc(C#N)c2)c(C)c1 158743039 BWCMVRWDXVTNGF-HNNXBMFYSA-N 324.449 4.603 30 20 DJED CCOc1ccc(C=Nc2cccc(C(F)(F)F)c2)c(O)c1 252611549 IKQZMYPGICDCQZ-UHFFFAOYSA-N 309.287 4.560 30 20 DJED C[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)c1ccc(C#N)cc1 303671920 GQELFDOTDULVKJ-SNVBAGLBSA-N 313.813 4.941 30 20 DJED N#CCOc1ccc(N[C@H]2CCCC[C@H]2c2ccccc2)cc1 319649333 AMWWBAVJPJQGSE-PMACEKPBSA-N 306.409 4.727 30 20 DJED CC1(C)CCC[C@H](C(O)=Nc2cccc([C@H]3CN=C(O)C3)c2)C1 328875923 SGEQYJWRSHIFCS-LSDHHAIUSA-N 314.429 4.935 30 20 DJED OC1=NCc2ccc(N=C(O)[C@@H]3CCC[C@H]4CCCC[C@H]43)cc21 329086046 GPMMYLQDYZQLEX-DAXOMENPSA-N 312.413 4.699 30 20 DJED CC(C)CCN(CCC#N)Cc1ccc(C(F)(F)F)s1 432747601 KVUBLDYHQYBOPY-UHFFFAOYSA-N 304.381 4.529 30 20 DJED CC[C@H](F)CN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 440503253 JDFDJTMZSLYIJM-KWQFWETISA-N 317.248 4.647 30 20 DJED CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CC1 475650340 MSMSQUWLDMYNQJ-HUUCEWRRSA-N 312.457 4.527 30 20 DJED C=CC[C@H](C(=O)Nc1cccc2cccnc12)c1ccccc1 487522076 BSMTTYBIZGALMT-KRWDZBQOSA-N 302.377 4.533 30 20 DJED C=CCC(C)(C)CNC(=O)c1ccc(OC2CCC2)cc1Cl 489907647 OZHFQPYDWFJQIH-UHFFFAOYSA-N 321.848 4.603 30 20 DJED N#Cc1cccc(CNC2(c3cccc(Cl)c3)CCCC2)c1 531698741 QJQWPBROWWJXJY-UHFFFAOYSA-N 310.828 4.771 30 20 DJED N#CCCCCN1CCCC[C@H]1c1ccccc1C(F)(F)F 533508488 XTFDFBYDZQAICV-INIZCTEOSA-N 310.363 4.926 30 20 DJED C=CC[C@H](C)N[C@@H]1CCCc2nc(-c3ccccc3F)sc21 540169599 FKVGSKVAADBNIL-SWLSCSKDSA-N 316.445 4.881 30 20 DJED Cc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)c(Cl)c1C 543969432 FCXYPKVOSHYSES-UHFFFAOYSA-N 319.191 4.734 30 20 DJED C[C@@H]1CC(=O)c2c(OCCCCC(C)(C)C#N)ccc(F)c21 556687269 FGABUTXKRGVNJY-GFCCVEGCSA-N 303.377 4.614 30 20 DJED CC(C)(C#N)CCSCc1ccccc1OCC(F)(F)F 572036849 HJIYTBUPCVSPME-UHFFFAOYSA-N 317.376 4.801 30 20 DJED COc1ccc([C@@H](NCCCC(C)(C)C#N)c2ccccc2)cc1 594714688 CAVKKYYOUXIVHB-FQEVSTJZSA-N 322.452 4.704 30 20 DJED N#Cc1ccc(N(C(=O)c2sccc2C2CC2)C2CCC2)cc1 598887071 NTTNPHFYJPYWAT-UHFFFAOYSA-N 322.433 4.696 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2NC1CC(c2ccc(Cl)cc2)C1 618807797 XCHMLXWTHNQPIZ-NLPFYKDJSA-N 322.839 4.735 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1C[C@H](c2cccc(F)c2)C1 619554197 UUXGLUFBIKYKNR-YFVAEKQCSA-N 320.411 4.611 30 20 DJED Fc1cccc(F)c1NN=Cc1cnc(-c2ccccc2)s1 735615046 JDQUEOAMSPVLLO-UHFFFAOYSA-N 315.348 4.534 30 20 DJED CC(C)Sc1ccc(C(=O)/C=C\c2cnc3ccccn23)cc1 740765684 NNUVTSZIKSLEDH-FLIBITNWSA-N 322.433 4.731 30 20 DJED CCC(=NNc1ccc(Cl)nc1)c1cc(Cl)ccc1OC 743449916 HTADWTWXHPEPHH-UHFFFAOYSA-N 324.211 4.623 30 20 DJED CC/C(=C/C(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccc(C)cc1 743775270 KKORHRSXAIONBA-CQUHBBLWSA-N 318.420 4.538 30 20 DJED COc1cc(C(C)=NNc2cc(C)ccc2C)ccc1SC 747611086 QQBDYXUGSZKRLN-UHFFFAOYSA-N 314.454 4.870 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2cc3cc(Cl)ccc3o2)s1 748998723 OJPVDLJIPVTAII-SNAWJCMRSA-N 313.765 4.915 30 20 DJED CC(CCc1ccsc1)=NNc1ccc(Cl)c(C(=O)O)c1 764884054 ANAAAWOERRSFDM-UHFFFAOYSA-N 322.817 4.520 30 20 DJED CC(=NNc1cccc(C(F)(F)F)c1)c1ccc(C)cc1O 767028001 HSTLOEJCGSSMOD-UHFFFAOYSA-N 308.303 4.556 30 20 DJED N#C[C@@H]1CCC[C@H](Nc2cccc(COc3ccccc3)c2)C1 774283768 YBKNWUSRTBEQAC-AEFFLSMTSA-N 306.409 4.760 30 20 DJED C#CCCCCCC(=O)N1CC[C@@H](c2ccccc2)[C@H](CC)C1 779931597 RFWKIMJIOYPNRR-UYAOXDASSA-N 311.469 4.612 30 20 DJED O=C(/C=C\c1cc(Cl)cc(C(F)(F)F)c1)c1cscn1 780185842 AUAPVRDMCSKFAB-UPHRSURJSA-N 317.719 4.711 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C/c3sccc3Cl)c2c1 782327617 SRDVCAITSUBLMF-SNAWJCMRSA-N 317.797 4.788 30 20 DJED CC1CC(C#N)(C(=O)O[C@@H](C)c2cc(Cl)ccc2Cl)C1 784200120 GHQUCCOOFQGBJF-VOZQYIJBSA-N 312.196 4.537 30 20 DJED Fc1cccc(NN=Cc2sc3ccccc3c2Cl)n1 795008865 QLVBFSBLYPMAJF-UHFFFAOYSA-N 305.765 4.535 30 20 DJED CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2CCCCCC2)s1 797573840 YEUFCUCKQIVUNM-ZDUSSCGKSA-N 304.459 4.587 30 20 DJED N#Cc1c(F)cccc1/C=C/C(=O)c1cc2ccccc2s1 811693971 NXLZOSQZXOYKSU-CMDGGOBGSA-N 307.349 4.808 30 20 DJED CC(C)(C#N)[C@H]1CCCC1=NNc1ncc(Cl)cc1Cl 814740456 OFQCRLXWMDBMCW-JTQLQIEISA-N 311.216 4.506 30 20 DJED CC(C)CON=C(Cc1ccc(F)cc1Cl)c1ccoc1 814884406 WVJYEBVELQRIBO-UHFFFAOYSA-N 309.768 4.692 30 20 DJED N#Cc1cccc(/C=C\C(=O)c2cc(Cl)ccc2Cl)c1 834690122 XXUBWEWDGASITH-DAXSKMNVSA-N 302.160 4.761 30 20 DJED CC(C)(C#N)CCCOC(=O)c1csc(C2CCCCC2)n1 840663855 BLQDUZPZIVKIIR-UHFFFAOYSA-N 320.458 4.678 30 20 DJED COc1cc(F)cc(NN=C[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 853319429 SPWGEGJJXXMCHL-GHMZBOCLSA-N 318.314 4.601 30 20 DJED C=CCCCC[C@@H](C)N[C@@H](C(=O)O)c1ccc2ccccc2c1 901516739 QWPWOKGEZFZDSU-DNVCBOLYSA-N 311.425 4.690 30 20 DJED Clc1ccc(NN=Cc2csc(Br)c2)cc1 914555685 KJNZGJXRSRQFMB-UHFFFAOYSA-N 315.623 4.610 30 20 DJED COc1ccc2cc(C(C)=NNc3ccc(C#N)cc3)ccc2c1 915962702 PUXFPAFGLOVLPE-UHFFFAOYSA-N 315.376 4.556 30 20 DJED COc1cc(/C=C/C(=O)c2ccc(C)s2)cc(Cl)c1OC 917045419 ZLHOLPLEVCIHPQ-AATRIKPKSA-N 322.813 4.623 30 20 DJED CCCCCCCCCC(=O)N1CCC(N2CCCCC2)CC1 918695750 DEQPPHDMAPAGQR-UHFFFAOYSA-N 322.537 4.604 30 20 DJED C=C(C)CNc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 920402643 VAPQZLXVTYPTSM-UHFFFAOYSA-N 324.302 4.539 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc(Cl)c(F)c2)c(F)c1 921259396 QFKOLHWFLHDCQF-CLTKARDFSA-N 308.711 4.523 30 20 DJED CCCCCCCc1nnc(-c2ccc(Cl)cc2OC)o1 1117236868 DOONWSXUDCUCLA-UHFFFAOYSA-N 308.809 4.912 30 20 DJED COc1cccc([C@H](C)SCc2cn3ccccc3c2C#N)c1 1188953428 WJJVKCJBAKOYAK-AWEZNQCLSA-N 322.433 4.814 30 20 DJED N#Cc1ccc(CCN[C@H](c2ccc(Cl)cc2)C2CCC2)cc1 1192781620 ZKMYQMGLFVLOHH-FQEVSTJZSA-N 324.855 4.885 30 20 DJED CN(C(=O)CCC1CCCCC1)c1ccc(C#N)c(Cl)c1 1287624743 LPWSRZYUZAMWQF-UHFFFAOYSA-N 304.821 4.535 30 20 DJED CC(C)c1ccc(NC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 1310044127 MMDQNMBYBDQUIN-UHFFFAOYSA-N 313.788 4.979 30 20 DJED C[C@@H](Cc1ccccc1Cl)c1nnc(-c2ccc(C#N)cc2)o1 1326061147 RZUJHQQISVSJAH-LBPRGKRZSA-N 323.783 4.608 30 20 DJED CC[C@H](OC(=O)c1cc(C#N)ccn1)c1ccc(C(C)(C)C)cc1 1358022808 MMCYRKIQSCPMNB-SFHVURJKSA-N 322.408 4.559 30 20 DJED Cc1cccc(C)c1[C@H](C)OC(=O)C[C@H](CC#N)c1ccccc1 1458064739 WEGVGEZBRZVIHZ-HKUYNNGSSA-N 321.420 4.995 30 20 DJED C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)CC2(C#N)CCCCC2)C1 1459950835 KIOSFCGQOBHMLX-HKUYNNGSSA-N 324.468 4.850 30 20 DJED C[C@H]1C[C@@H](c2ccccc2)N(Cc2ccc(Cl)cc2C#N)C1 1460079625 XAGONZBXBXCKOQ-LIRRHRJNSA-N 310.828 4.795 30 20 DJED CC(C)(C)c1csc(NC(=O)c2ccc(Cl)s2)c1C#N 1534595682 WTZPTZSFXYZNLR-UHFFFAOYSA-N 324.858 4.884 30 20 DJED N#Cc1ccc(N[C@H](c2cccc(Cl)c2)C2CCCC2)nc1 1559144744 XOPLHYJPWRYSPF-SFHVURJKSA-N 311.816 4.950 30 20 DJED CC(C)(C)c1ccc(C#N)c(NCC(C)(C)c2ccccc2)n1 1612588947 GCWIWUIJHAXBRX-UHFFFAOYSA-N 307.441 4.640 30 20 DJED C[C@@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)c1cccc(C#N)c1 1613393177 SUZHSNNYHOQVOG-GFCCVEGCSA-N 323.396 4.941 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@H]1CCCc1ccccc1 1616332243 PEUAJGLMGQIAHK-JOCHJYFZSA-N 318.464 4.854 30 20 DJED Cc1nc(N[C@@H]2CCCc3ccc(C(C)C)cc32)ccc1C#N 1639732350 FDDRDRGEJRVQFY-LJQANCHMSA-N 305.425 4.875 30 20 DJED C[C@@H]1C[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)c2ccccc2O1 1642710025 RMQSQEOACFKSFV-CZUORRHYSA-N 321.424 4.575 30 20 DJED N#CC1(CSc2nc3ccccc3n2-c2ccc(F)cc2)CC1 1643668909 RJBWKQKGIOFUTP-UHFFFAOYSA-N 323.396 4.560 30 20 DJED CC1(C)CCc2ccccc2[C@@H](NCc2ccc(F)cc2C#N)C1 1654260965 CAANSKGCCFRSOP-FQEVSTJZSA-N 322.427 4.891 30 20 DJED CC(C)CC[C@H](Nc1cc(C#N)cnn1)c1ccc(Cl)cc1 1654998178 SZALTOGFDPEQNO-INIZCTEOSA-N 314.820 4.591 30 20 DJED N#Cc1cccc(NCc2ccc(-c3c(F)cccc3F)o2)c1 1655988094 PDIIEOPKBBTHKN-UHFFFAOYSA-N 310.303 4.709 30 20 DJED Cc1cc(CN2CCC[C@H]2c2ccccc2Cl)ccc1C#N 1658428884 PEJSWIMKSBYOHX-IBGZPJMESA-N 310.828 4.857 30 20 DJED CC(C)CC[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)C(C)(C)C 1666728644 FWYCIDCAHIHYNK-MRXNPFEDSA-N 319.424 4.670 30 20 DJED Clc1ccccc1/N=C1\NN=C(C2CCCCC2)CS1 22690728 YSLUQXFJUMJNAJ-UHFFFAOYSA-N 307.850 4.600 30 20 DJED C=CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)c1ccccc1 71846382 ZVUPOUOHQPPCEQ-IAGOWNOFSA-N 311.812 4.663 30 20 DJED N#CCCCCN1CCc2ccccc2[C@@H]1Cc1ccccc1 119138745 YDUYANHNMKWGNX-NRFANRHFSA-N 304.437 4.522 30 20 DJED N#CCCCCSCc1coc(-c2cccc(Cl)c2)n1 161406993 AROFHKLANNLJMB-UHFFFAOYSA-N 306.818 4.922 30 20 DJED N#Cc1ccc(/C=C(\Cl)c2nc3ccccc3s2)s1 176405055 BVDAIKJUZTWDNL-XFFZJAGNSA-N 302.811 4.966 30 20 DJED CC[C@H](C)[C@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N 246253695 MKZHZHMUTJFKHZ-MJBXVCDLSA-N 319.474 4.637 30 20 DJED CCC[C@H](C)N(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 264628082 SKZAVQMCYQTTGY-KBPBESRZSA-N 319.474 4.733 30 20 DJED C[C@H](c1cccc(Cl)c1)[S@](=O)CCCCC(C)(C)C#N 277988926 UCRRWIXMNCXIEQ-ZUOKHONESA-N 311.878 4.870 30 20 DJED N#CCOc1ccc(N[C@H]2CCCC[C@@H]2c2ccccc2)cc1 319649335 AMWWBAVJPJQGSE-UXHICEINSA-N 306.409 4.727 30 20 DJED C[C@H](Nc1ccc(OCC#N)cc1)c1ccc2c(c1)CCCC2 319992209 KVLNMCIXPWWDQT-HNNXBMFYSA-N 306.409 4.641 30 20 DJED CC(C)c1occc1/C(O)=N/C[C@@H]1CCCO[C@@H]1C(C)(C)C 331096499 MCUMTWIZEFCWFC-BBRMVZONSA-N 307.434 4.549 30 20 DJED C[C@H]1CC[C@@H](CC(=O)N(Cc2ccco2)c2ccccc2C#N)C1 345473196 WHDQFJBHHCLJEK-JKSUJKDBSA-N 322.408 4.511 30 20 DJED CC(C)(C)c1cc(C#N)c(NC(=O)c2ccc(Cl)s2)s1 411003654 ALZGUAOBXUDPMM-UHFFFAOYSA-N 324.858 4.884 30 20 DJED C=CCC[C@H](NC(=O)c1cc(F)c(F)cc1F)c1ccccc1 437122553 IVQQYNLEBZPOPT-KRWDZBQOSA-N 319.326 4.541 30 20 DJED CCc1ccc(-c2ccc(C(=O)Nc3ccc(C#N)cc3)o2)cc1 463455209 ZBWCKPBMOGMYNI-UHFFFAOYSA-N 316.360 4.633 30 20 DJED C=CCCN(C)C(=O)Nc1cccnc1-c1ccc(Cl)s1 466707907 OSZFJBUHFSCDNK-UHFFFAOYSA-N 321.833 4.503 30 20 DJED CC(C)(C)CCC(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 486581329 AKYSLNYGQVWCMK-UHFFFAOYSA-N 316.489 4.524 30 20 DJED C=CC[C@@H](C(=O)N(CC)Cc1cccc(F)c1)c1ccccc1 487765984 MRMQTIYVVKCHMH-LJQANCHMSA-N 311.400 4.534 30 20 DJED N#Cc1c(F)cccc1CSc1nc(-c2ccccc2)co1 488268410 WRXCTJGNORYKLR-UHFFFAOYSA-N 310.353 4.645 30 20 DJED N#Cc1ccc(SCc2ccc(-c3ccccc3)cc2)nc1 495273524 ZKDCSFZLHQLGRC-UHFFFAOYSA-N 302.402 4.913 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CCC[C@H](C)C1 498445727 LINMPCWETRCCKF-QFBILLFUSA-N 312.457 4.513 30 20 DJED CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1ccccc1Oc1ccccc1 509209647 HZYDLWZLMUEEJS-YWZLYKJASA-N 322.408 4.596 30 20 DJED CCN(Cc1ccc(C#N)s1)[C@H](C)c1cc2ccccc2o1 511894093 QLQCMWHUOZSHHK-CYBMUJFWSA-N 310.422 4.949 30 20 DJED N#Cc1ccc(CN[C@@H]2CCCc3ccc(Cl)cc32)cc1F 516849174 AKPCEHFWDZFINU-GOSISDBHSA-N 314.791 4.518 30 20 DJED N#Cc1cccc(CN[C@@H](c2ccccc2)C2CCCC2)c1F 540294652 CCXDICGROMAUIC-FQEVSTJZSA-N 308.400 4.718 30 20 DJED CC(C)(C#N)c1ccccc1CN[C@H](C(C)(C)C)C(F)(F)F 542775680 AMEAYIMZTXLMIP-CQSZACIVSA-N 312.379 4.554 30 20 DJED C[C@@H](NCCC(C)(C)C#N)c1ccc(-c2cccc(C#N)c2)cc1 542945688 XRHKUSLUSKMBJK-MRXNPFEDSA-N 317.436 4.816 30 20 DJED N#Cc1cnc(Oc2cnc3ccc(Cl)cc3c2)c(Cl)c1 553562772 QHBIWCFQROQGNP-UHFFFAOYSA-N 316.147 4.601 30 20 DJED C=CCC(F)(F)c1nc(-c2ccc(OC(C)(C)C)cc2)no1 559935316 OHSWMINVFBYPNQ-UHFFFAOYSA-N 308.328 4.582 30 20 DJED Cc1cccc2cc(C(=O)N[C@H](C)c3ccc(C#N)cc3)sc12 567644098 SPSFVYNRJLUIBN-CYBMUJFWSA-N 320.417 4.572 30 20 DJED N#Cc1ccc2c(c1)[C@H](NC(c1ccccc1)c1ccccc1)CC2 578404592 YYHPUWNANMITQX-JOCHJYFZSA-N 324.427 4.925 30 20 DJED C[C@]1(C#N)CCCN(C(=O)Nc2cccc(-c3ccccc3)c2)C1 588342484 ZAOXBDVIRHNHFC-HXUWFJFHSA-N 319.408 4.511 30 20 DJED C=CCC(C)(C)CNC(=O)c1oc2ccccc2c1CSC 590098597 WOZUQBNFHUPWPE-UHFFFAOYSA-N 317.454 4.628 30 20 DJED C[C@H](N[C@@H]1CC(C)(C)Oc2ccc(F)cc21)c1cccc(C#N)c1 593723204 SGMDAKSCGRWNQF-SCLBCKFNSA-N 324.399 4.650 30 20 DJED CC[C@@H](C)C(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 603532771 RPWOVCKTGIKMKI-CQSZACIVSA-N 324.399 4.585 30 20 DJED C=CCCN(Cc1ccccc1)[C@@H]1CCOc2ccc(OC)cc21 607750223 WAXLMRPDASAKSK-HXUWFJFHSA-N 323.436 4.597 30 20 DJED Cc1ccc(C2CC(=NNc3ccc(C(F)(F)F)cn3)C2)cc1 729818238 LXVZMSPWVSDXTR-UHFFFAOYSA-N 319.330 4.754 30 20 DJED C#Cc1cccc(NC(=O)N(Cc2ccccc2)[C@@H](C)CC)c1 731899590 NPLSQHVXVWLZNS-INIZCTEOSA-N 306.409 4.501 30 20 DJED Oc1ccc2ccccc2c1C=Nc1cc(F)c(F)c(F)c1 741165907 SOAUBSOSMQRTJR-UHFFFAOYSA-N 301.267 4.713 30 20 DJED COc1ccc(/C=C/C(=O)c2c[nH]c3ccccc23)cc1Cl 741468928 XVNZGPDGHRYASR-SOFGYWHQSA-N 311.768 4.726 30 20 DJED O=C(/C=C\c1ccc(Cl)cc1)c1c(Cl)nc2sccn12 741844286 NQQGCFQAHVEXRC-UTCJRWHESA-N 323.204 4.599 30 20 DJED CCC(=NNc1nc2ccccc2s1)c1cc(F)ccc1F 743418803 KNBRLKFGVUOYNN-UHFFFAOYSA-N 317.364 4.801 30 20 DJED Cc1c([C@@H](C)OC(=O)c2cccc(CC#N)c2)oc2ccccc12 747034076 PLRNJZPXCHGZIL-CQSZACIVSA-N 319.360 4.725 30 20 DJED CSc1ccc2c(c1)CC/C(=C/c1ccc(C)s1)C2=O 748145842 AUCNXCHLYWOJHC-RAXLEYEMSA-N 300.448 4.991 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2nc(-c3ccccc3)cs2)s1 749006394 UWBMALZIFZBEON-CMDGGOBGSA-N 322.414 4.639 30 20 DJED COc1ccc([C@H](C)NCc2ccc(C#N)cc2)c2ccccc12 765013865 UBQZCHSEVGJKBH-HNNXBMFYSA-N 316.404 4.571 30 20 DJED CC(C)[C@H]1/C(=C\c2ccc3c(c2)ncn3C)C(=O)c2ccccc21 766506701 QGFGISXLFCQVLE-OTJDAXFFSA-N 316.404 4.593 30 20 DJED Cc1ccc([C@H]2CCCN2Cc2ccc(O[C@H](C)C#N)cc2)cc1 768235881 AOIZQYBZVNGKBY-DYESRHJHSA-N 320.436 4.623 30 20 DJED CCc1ccc(C(=O)/C=C\c2nn(CC)c3ccccc23)s1 769743561 VDLMDDOFKUDQHX-KHPPLWFESA-N 310.422 4.576 30 20 DJED C#CCCCCC(=O)Nc1cc(C)ccc1Oc1ccccc1 773432713 VZSNQONSZJJYQY-UHFFFAOYSA-N 307.393 4.919 30 20 DJED C=CCC[C@@H](C(=O)OCc1sc(C)nc1C)c1ccccc1 777631577 JHDDHEIAKNYWOC-MRXNPFEDSA-N 315.438 4.553 30 20 DJED C=CC[C@H](N[C@@H]1CC[C@H](Cc2ccccc2)C1)c1ccncc1 783246416 RTQQPSOALDBANM-NRSPTQNISA-N 306.453 4.700 30 20 DJED CCc1cccc(Cl)c1C=NNc1ccc(OC(F)F)cc1 788714515 DCYNQAGIMBYDNP-UHFFFAOYSA-N 324.758 4.950 30 20 DJED C=CC[C@H](NCc1cscc1C(F)(F)F)c1ccncc1 811481042 NACHZCOWPKVKDN-AWEZNQCLSA-N 312.360 4.569 30 20 DJED C=CCC(F)(F)C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 815400030 URGUTFXZERMVQU-LBPRGKRZSA-N 313.413 4.576 30 20 DJED CC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 835144225 CICPTHKDXXCQOF-WCQYABFASA-N 318.417 4.684 30 20 DJED FC1(F)CCC(=NNc2ccnc3cc(Cl)ccc23)CC1 842519057 DNKFDVRFJYWMHF-UHFFFAOYSA-N 309.747 4.865 30 20 DJED Cc1ccc(CNc2cc(C#N)ccc2C(F)(F)F)cc1F 864000620 XFETUSXFMIOXAF-UHFFFAOYSA-N 308.278 4.637 30 20 DJED CC[C@H](N[C@H](c1ncccc1C)C(C)C)c1cccc(C#N)c1 902805641 DNHTTXZHZVJZCK-OALUTQOASA-N 307.441 4.700 30 20 DJED CCc1ccc(-c2noc([C@H](C#N)CCc3ccccc3)n2)cc1 904575228 YEDHEHBPDXFQFX-SFHVURJKSA-N 317.392 4.539 30 20 DJED CC(=NNc1cccc(F)c1)c1sc(C(C)(C)C)nc1C 920385616 DSVUYNZMSIMUJW-UHFFFAOYSA-N 305.422 4.724 30 20 DJED Cc1ccc2c(c1)C/C(=C/c1cccc(C(F)(F)F)c1)C2=O 921264306 QOHBPRITJLIADT-ZSOIEALJSA-N 302.295 4.836 30 20 DJED N#Cc1ccc(Sc2nc(C3CCCCC3)ns2)cc1 1184973586 WCWWPXJYOLLGGI-UHFFFAOYSA-N 301.440 4.609 30 20 DJED N#Cc1cc(Cl)ccc1CSc1c(F)cc(F)cc1F 1188660654 QRUKDURBQGSGLX-UHFFFAOYSA-N 313.731 4.921 30 20 DJED CCOc1cc(Cl)ccc1NCc1ccc(C#N)c(C)c1 1201372548 JWWGONKXTHQUNG-UHFFFAOYSA-N 300.789 4.531 30 20 DJED N#CC[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 1264302305 WDAQDKFTXMUNEG-CYBMUJFWSA-N 319.191 4.629 30 20 DJED C[C@H](OC(=O)c1ccccc1C(C)(C)C)c1ccc(C#N)cc1 1265620703 RJGKDPDRPPJNNU-AWEZNQCLSA-N 307.393 4.774 30 20 DJED CC(C)(C#N)c1ccccc1COc1ccc(F)c2cccnc12 1307366879 PDOKTPVVIIEOTI-UHFFFAOYSA-N 320.367 4.754 30 20 DJED CCc1cccc2c1N(Cc1ccc(Cl)cc1C#N)CCC2 1459707620 LEPKSLSBXHWWPO-UHFFFAOYSA-N 310.828 4.727 30 20 DJED N#Cc1c(F)cccc1CN(C1CC1)[C@@H]1CCCc2ccccc21 1474362811 XZLABTJZUUPSEE-OAQYLSRUSA-N 320.411 4.739 30 20 DJED CC(C)N(Cc1cccc(Br)c1)C[C@H](C)CCC#N 1474363069 YASFJBBCIJEYGT-CQSZACIVSA-N 323.278 4.599 30 20 DJED Cc1c([C@@H](C)OC(=O)[C@@]2(C#N)CC23CCCC3)oc2ccccc12 1522672616 XKEVXZGTYWSDSW-VLIAUNLRSA-N 323.392 4.820 30 20 DJED CCC(CC)[C@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1523649181 PKTAHNMTEWUMTH-RYUDHWBXSA-N 318.486 4.755 30 20 DJED CC(C)(CCCc1ccccc1)C(=O)O[C@H]1CCC[C@H](C#N)C1 1525048127 AATSTVCQXHDSTN-ROUUACIJSA-N 313.441 4.661 30 20 DJED Cc1cc(C#N)ccc1CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 1617765310 HGPDOPRHVONMMV-BHDDXSALSA-N 316.448 4.635 30 20 DJED C[C@@]1(CCc2ccccc2)CCN(Cc2cccc(F)c2C#N)C1 1621153767 ZCWMXWVYQJPFRW-OAQYLSRUSA-N 322.427 4.542 30 20 DJED N#Cc1ccc(CN[C@H]2CCCC[C@H]2Cc2ccccc2)c(F)c1 1649084108 KKUCBOZCSDKTEJ-RXVVDRJESA-N 322.427 4.588 30 20 DJED CC1CCC(CNc2c(Br)cccc2C#N)CC1 1651429558 XIXDAYHOORMNJV-UHFFFAOYSA-N 307.235 4.559 30 20 DJED Cc1ccc(CN(Cc2ccc(C#N)c(C)c2)C2CC2)cc1C 1651751066 OUBXGJQCROKJCH-UHFFFAOYSA-N 304.437 4.648 30 20 DJED Cc1cc(C#N)ccc1CN(CC[C@H]1C[C@H]2CC[C@H]1C2)C1CC1 1653191461 ZTYSSEFQNKJHJV-WDSOQIARSA-N 308.469 4.657 30 20 DJED Cc1nc(Sc2c(C#N)cnc3c(Cl)cccc23)oc1C 1654866987 JJHQJGMPOIFMSA-UHFFFAOYSA-N 315.785 4.516 30 20 DJED CCc1ccc([C@H]2CCCN(Cc3ccc(C#N)c(C)c3)C2)cc1 1658039841 YHLCGLAPGCFNBQ-QFIPXVFZSA-N 318.464 4.809 30 20 DJED C=Cc1ccc(/C=C2/CCCc3cc(C(=O)O)ccc3C2=O)cc1 1776192940 RFFDNIRYKCYTED-ATVHPVEESA-N 318.372 4.630 30 20 DJED C[C@H](NCc1ccc(C#N)cc1F)c1ccc(Cl)cc1Cl 21018447 PTDQWKQAONFRJP-JTQLQIEISA-N 323.198 4.855 30 20 DJED C=CCOc1ccccc1CN[C@@H](C)c1ccccc1Cl 34992567 DTDOWCCIAKYCSE-AWEZNQCLSA-N 301.817 4.756 30 20 DJED C=CCN(Cc1ccccc1)C(=O)N[C@@H](c1ccccc1)C1CC1 45347197 DCTQCZWNKMXRMA-FQEVSTJZSA-N 320.436 4.536 30 20 DJED COc1ccc(C(=O)/C=C/c2scnc2C)c2ccccc12 78693241 VMNODZQKDVWCIP-CSKARUKUSA-N 309.390 4.509 30 20 DJED CC[C@H](C)Sc1ccc(NC(=O)N(C)[C@H](C)CC#N)c(C)c1 86284770 PQRKHROADFJVJL-KGLIPLIRSA-N 319.474 4.652 30 20 DJED CCCC(=O)Nc1ccc(Cl)c(NCCCC(C)(C)C#N)c1 161761703 XHXZJGCOQPKKTC-UHFFFAOYSA-N 321.852 4.820 30 20 DJED CCSc1cccc(N[C@H](C)c2ccc(OCC#N)cc2)c1 179880899 KHPDPSZPFBJHSL-CQSZACIVSA-N 312.438 4.874 30 20 DJED Cc1ccc([C@H](NCc2ccc(OCC#N)cc2)C2CCC2)cc1 187326951 VFAYXWUTHLLACB-OAQYLSRUSA-N 320.436 4.528 30 20 DJED CC(C)(C)c1cc(NC(=O)c2sccc2Cl)c(C#N)s1 288840586 VVAUKHBGFAKJOC-UHFFFAOYSA-N 324.858 4.884 30 20 DJED Cc1ccc(F)c(/C=C/C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 303669839 OWOCDWKURNIGLJ-QPJJXVBHSA-N 319.719 4.592 30 20 DJED CC[C@H](CC#N)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 317060278 XETPRKNOHZKMDM-GFCCVEGCSA-N 324.268 4.506 30 20 DJED C=CCC[C@@H](NC(=O)Nc1ccc2[nH]ccc2c1)c1ccccc1 435605162 CXACVZWKESTMQC-LJQANCHMSA-N 319.408 4.997 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1ccc(-c2nc(C)cs2)cc1 439518551 SDNUPBDTSVJSON-CQSZACIVSA-N 315.442 4.595 30 20 DJED N#Cc1cccc(/C=C/c2nc(-c3coc4ccccc34)no2)c1 445580447 VYRXNLLXOILLRG-CMDGGOBGSA-N 313.316 4.525 30 20 DJED CC(C)(c1noc(-c2ccc(C#N)cc2)n1)c1ccccc1Cl 445682136 MIIMSYURIJQFHN-UHFFFAOYSA-N 323.783 4.588 30 20 DJED CCC(C)(C)OCc1ccccc1N[C@@H]1CCC[C@H](C#N)C1 446757028 PPYGFDOOFQDWRI-DOTOQJQBSA-N 300.446 4.886 30 20 DJED C=C(C)CN(CC)C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 471286509 FHRKOKFNRLVWBN-NSHDSACASA-N 300.229 4.522 30 20 DJED C=CCCCCNC(=O)Nc1cccc(CCC(F)(F)F)c1 473697507 QBHKGJSHNBSNTA-UHFFFAOYSA-N 314.351 4.659 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)cc1)C1CCC(C(F)(F)F)CC1 474481111 UFBSLQNGSJGZOJ-UDNWOHKBSA-N 324.390 4.966 30 20 DJED CC1(CNC(=O)C[C@H](CC#N)c2ccccc2)CCCCCC1 476575819 QATDDJCCRGCGRP-SFHVURJKSA-N 312.457 4.551 30 20 DJED N#CCn1c(/C=C\c2csc3ccccc23)nc2ccccc21 486103217 QBZRRFLBDMFVID-KTKRTIGZSA-N 315.401 4.945 30 20 DJED Cc1cscc1NC(=O)c1sc2ccc(C#N)cc2c1C 486280324 KWFIJGFJHSEHOT-UHFFFAOYSA-N 312.419 4.704 30 20 DJED N#CC1(CN(Cc2ccccc2C(F)(F)F)C2CCCC2)CC1 501535446 WMVAPYMZBOZULD-UHFFFAOYSA-N 322.374 4.754 30 20 DJED CCCC[C@H](C)C(=O)Nc1ccccc1SC[C@H](C)C#N 503341988 DRUCVPZQENOOPS-KGLIPLIRSA-N 304.459 4.703 30 20 DJED CCc1c(C)sc(NC(=O)C2(c3ccccc3)CCC2)c1C#N 524331431 KJQGGIPBDSLCQO-UHFFFAOYSA-N 324.449 4.551 30 20 DJED C=C[C@@H](CC(=O)N(CC)Cc1ccccc1C)c1ccccc1 535333968 ZCZMBPZRETUDAT-SFHVURJKSA-N 307.437 4.703 30 20 DJED Cc1c(C(=O)N(CC#N)c2ccccc2)sc2cc(F)ccc12 571677615 PGJUSFVCYGCLKE-UHFFFAOYSA-N 324.380 4.519 30 20 DJED Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)cc1C 592973381 FEFQYEXQAUQKBB-AWEZNQCLSA-N 324.380 4.542 30 20 DJED Cc1cc(C#N)ccc1CNC(C)(C)c1cccc(Cl)c1F 614405672 ATLUAOMKMNQGIR-UHFFFAOYSA-N 316.807 4.684 30 20 DJED C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1cccc(C#N)c1 619508400 OYPJOXHGRNWTOK-YCRPNKLZSA-N 315.420 4.548 30 20 DJED CCCc1nc(CON=C(C)c2cc3ccccc3o2)cs1 725792109 VKRVLQHXKCXKHO-UHFFFAOYSA-N 314.410 4.783 30 20 DJED c1ccc2c(c1)OCCCC2=NNc1cccc2ccccc12 728429246 BOWGFAUKFYAIIR-UHFFFAOYSA-N 302.377 4.829 30 20 DJED CCCCCCCCCN(C)C(=O)c1cc2nc(C)ccc2o1 729178653 OOVSHQNEPHDPND-UHFFFAOYSA-N 316.445 4.959 30 20 DJED CCn1cc(/C=C\C(=O)c2ccc(Oc3ccccc3)cc2)cn1 732529028 KVPDMPNHKFHJAD-JYRVWZFOSA-N 318.376 4.591 30 20 DJED C=CCN(C(=O)[C@@H](C)c1c(Cl)cccc1Cl)C(C)C 733095098 WECZYJFBLIDCMS-NSHDSACASA-N 300.229 4.520 30 20 DJED N#Cc1cccc(C(=O)/C=C\c2cccc(-c3ccccn3)c2)c1 747695920 NONDRDAQSPKVPM-KHPPLWFESA-N 310.356 4.516 30 20 DJED CC(=NNc1ccc(F)cc1C)c1[nH]c(-c2ccccc2)nc1C 750938651 KXRTXAMDJRPSDS-UHFFFAOYSA-N 322.387 4.669 30 20 DJED N#Cc1ccc(CN(Cc2ccccc2O)C2CCCCC2)cc1 756335135 DTPJFBSXBBLIHG-UHFFFAOYSA-N 320.436 4.599 30 20 DJED Cc1cc(/C=C2/C(=O)c3cccc4c3[C@H]2CCC4)cnc1Cl 763289158 JWPQRPXIMBNWSZ-FSEGOYHTSA-N 309.796 4.743 30 20 DJED Cc1cc2c(cc1C)C(=O)/C(=C/c1nc(Cl)cs1)CS2 777471854 TVNILLJGXIYVTQ-BJMVGYQFSA-N 321.854 4.785 30 20 DJED Cc1ccc(C(=O)/C=C/c2sccc2Cl)cc1[N+](=O)[O-] 782304984 DCWWXNCKNHJMMQ-SNAWJCMRSA-N 307.758 4.514 30 20 DJED C=C[C@@H](CC(=O)OCc1ncc(C(C)C)s1)c1ccccc1 783491698 DIFKKUSCMGRGDG-AWEZNQCLSA-N 315.438 4.670 30 20 DJED CC[C@@H](C)CC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 791773177 JJBCFRYQVTZCLU-DOMZBBRYSA-N 312.438 4.731 30 20 DJED C=C(C)CCOC(=O)C(C)(C)c1csc(-c2cccs2)n1 800394441 GTDIZYRFGTZGFS-UHFFFAOYSA-N 321.467 4.659 30 20 DJED CC[C@](C)(C#N)C(=O)O[C@@H](C)c1ccc(Cl)cc1Cl 802819870 HUCRIRUKQKGDQH-LKFCYVNXSA-N 300.185 4.537 30 20 DJED C[C@@H](NN=C1CC[C@@H](c2cccc(Cl)c2)C1)C(F)(F)F 841639864 HECBWGQKWYIUKP-MWLCHTKSSA-N 304.743 4.504 30 20 DJED CC[C@H](N[C@@H](C)c1cccc(F)c1F)c1cccc(C#N)c1 902890991 LEACDZZNSJSQSG-SJCJKPOMSA-N 300.352 4.638 30 20 DJED O=[N+]([O-])c1cccc(-c2ccc(C=NNc3ccccc3)s2)c1 912773654 KDWUSYNQYGKEFQ-UHFFFAOYSA-N 323.377 4.769 30 20 DJED C=CCN(Cc1ccccc1)C(=S)Nc1cccc(Cl)c1 914601706 GUKWHVMGFDGUIN-UHFFFAOYSA-N 316.857 4.725 30 20 DJED O=C(/C=C\c1ccc(C(F)(F)F)cc1)c1cc(F)ccc1F 916133300 DFBZTTKXJWELJD-BAQGIRSFSA-N 312.237 4.880 30 20 DJED Cc1ccccc1[C@H](C)C(=O)Nc1ccccc1SCCC#N 932297558 UNBAMCTWTHBZLF-HNNXBMFYSA-N 324.449 4.743 30 20 DJED N#Cc1cccc(NC(=O)c2ccccc2NC2CCCCC2)c1 1135315235 BCEAJXLEPRWNPJ-UHFFFAOYSA-N 319.408 4.555 30 20 DJED N#CCc1ccc(CN2CCc3c(-c4ccccc4)cccc32)cc1 1193070765 SDSPYIQQYIXAGS-UHFFFAOYSA-N 324.427 4.982 30 20 DJED CC[C@@H](CC1CCCCC1)Nc1ccc(F)cc1OCC#N 1205334623 LWOLSWUQFIVRQT-INIZCTEOSA-N 304.409 4.889 30 20 DJED CC1(c2ccccc2)CCC(NCCc2ccc(C#N)cc2)CC1 1206636467 NKJFDDIKCQSLLK-UHFFFAOYSA-N 318.464 4.591 30 20 DJED CC[C@H](C#N)[C@@H](OC(=O)[C@H](C)c1ccc(C)o1)c1cccs1 1346399000 DYGKQEFAAQAKAA-XJKCOSOUSA-N 317.410 4.587 30 20 DJED CC[C@@H](C)CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 1360224768 JALYWCSGGWWWPC-CQSZACIVSA-N 308.381 4.725 30 20 DJED CCN(C(=O)c1ccc(C)c2ccccc12)c1ccc(C#N)cc1 1360679879 GYLQYSNCXYZYDB-UHFFFAOYSA-N 314.388 4.687 30 20 DJED N#Cc1cc(N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)ccn1 1458113424 MSILWHQGGFHSHJ-INIZCTEOSA-N 318.207 4.602 30 20 DJED CC(C)(C)c1cc(Nc2cccc(CC#N)c2)nc(C(C)(C)C)n1 1458378583 KDLLTVHUITWIQQ-UHFFFAOYSA-N 322.456 4.881 30 20 DJED Cc1nc(NC[C@@H]2CCCC[C@@H]2c2ccccc2)ccc1C#N 1458384754 QGCRTTITTFUTIK-RBUKOAKNSA-N 305.425 4.648 30 20 DJED CCCC[C@@H](C)N(CCCC)C(=O)c1c(F)cc(C#N)cc1F 1460310409 FUJMJVVBBJDRSS-CYBMUJFWSA-N 322.399 4.657 30 20 DJED Cc1nc(N[C@H](c2ccc(Cl)cc2)C2CCC2)ccc1C#N 1472689778 BKCWVPYVUIRINZ-SFHVURJKSA-N 311.816 4.868 30 20 DJED N#Cc1cccnc1N[C@@H](c1cccc(Cl)c1)C1CCCC1 1472734391 GZFJGWYICNVWDG-QGZVFWFLSA-N 311.816 4.950 30 20 DJED CN(Cc1cccc(C#N)c1)[C@@H]1CC[C@](C)(c2ccccc2)C1 1474401418 NHLPFWLZJSBTID-RTWAWAEBSA-N 304.437 4.500 30 20 DJED CC[C@H](C)CC(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@H](C)CC2 1527164928 QYBKGJWGOKSAIF-TUAOUCFPSA-N 304.459 4.680 30 20 DJED Cc1cc(NCc2ccc(C3CCCCC3)cc2)ncc1C#N 1639952776 BHGKMUBVSBVJKN-UHFFFAOYSA-N 305.425 4.922 30 20 DJED CC[C@H]1C[C@@H](C)CN1Cc1ccc(-c2ccccc2C#N)cc1 1644702024 SGMAQTGKRGWAAE-UZLBHIALSA-N 304.437 4.846 30 20 DJED CN(Cc1cccc(C#N)c1)c1ccc(Oc2ccccc2)cc1 1652877634 QKJKDAOKHHWJLM-UHFFFAOYSA-N 314.388 4.987 30 20 DJED N#Cc1c(F)cccc1N1CCC[C@H](CCCc2ccccc2)C1 1655293108 AUQRZPUKSYWIKW-SFHVURJKSA-N 322.427 4.937 30 20 DJED CCCC[C@H](CCC)NCc1cc(C#N)ccc1Br 1655762013 KKUKVALEYJRDMV-HNNXBMFYSA-N 323.278 4.769 30 20 DJED N#Cc1ccc(CNCC2(c3cccc(F)c3)CCCCC2)cc1 1656180469 BWANJUGSGHZMCV-UHFFFAOYSA-N 322.427 4.689 30 20 DJED Cc1ccc([C@H](C)CN(Cc2ccc(C#N)cc2)C(C)C)cc1 1658858211 ATJYBTOWFMPLBF-GOSISDBHSA-N 306.453 4.881 30 20 DJED C[C@@H](C#N)CN(CCCc1c(Cl)cccc1Cl)C1CC1 1659045406 LAGDUMMCCXLYQA-LBPRGKRZSA-N 311.256 4.550 30 20 DJED CC(=NNc1ccc(Cl)c(C(=O)O)c1)[C@H]1CCCC[C@@H]1C 1776033805 KBQXFNGQPGYFRI-GWCFXTLKSA-N 308.809 4.652 30 20 DJED O=C(O)c1cc(NN=C2CCCC23CCCCC3)ccc1Cl 1776033932 ZEBYDMCLNGHEOC-UHFFFAOYSA-N 320.820 4.941 30 20 DJED C#Cc1cccc(NC(=O)Nc2cc(Cl)ccc2Cl)c1 42011890 OTCUJCZGUULDNQ-UHFFFAOYSA-N 305.164 4.619 30 20 DJED CCCCNc1nc(-c2cn(CCC#N)c3ccccc23)cs1 57942867 SUKVQRPFEQCWAB-UHFFFAOYSA-N 324.453 4.890 30 20 DJED CCCCCC[C@@H](C)/C(O)=N/S(=O)(=O)/C=C/c1ccccc1 76760754 RYXLZKILWKZFNH-SZGUKTLCSA-N 323.458 4.550 30 20 DJED C[C@H]1CCC[C@@H](OCc2cccc(NCc3ccc(C#N)o3)c2)C1 123844086 DHEVBCXSSVXREM-MAUKXSAKSA-N 324.424 4.859 30 20 DJED N#CCC[C@H](Nc1ccc(C(F)(F)F)cn1)c1ccccc1 164306944 GQVYMEGMCUYNGO-AWEZNQCLSA-N 305.303 4.557 30 20 DJED CCCCCCCCC(=O)N1CCC[C@H]1c1cccc(C)n1 167096731 YCAKDYCKYIABPS-SFHVURJKSA-N 302.462 4.804 30 20 DJED C[C@@H](Nc1cccc(Oc2ccccn2)c1)c1ccc(C#N)cc1 174352135 TUTCNZVXOIZINS-OAHLLOKOSA-N 315.376 4.919 30 20 DJED C[C@@H](c1ccccc1)N(CCCCC#N)Cc1ccccc1O 176680848 WVUHRFKUUFXPNQ-KRWDZBQOSA-N 308.425 4.649 30 20 DJED CC#CCCCC(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 185699070 LBFUQVJYSSPCFN-OAQYLSRUSA-N 317.432 4.506 30 20 DJED N#C[C@@H]1CCC[C@H](Nc2cccc(CSc3ccccn3)c2)C1 185743364 MUDIHQZWSCZDHI-WBVHZDCISA-N 323.465 4.868 30 20 DJED Cc1cc(C#N)ccc1CN[C@@H](C)c1cc2ccccc2s1 186329526 VBWASULIDUSVLY-AWEZNQCLSA-N 306.434 4.932 30 20 DJED CC(C)(C)C[C@@H]1CCN(c2ccc(C#N)c(Br)c2)C1 307767938 AIYLGGQLAZTWMW-LBPRGKRZSA-N 321.262 4.583 30 20 DJED OC(=Nc1csc(-c2ccncc2)n1)C1CCCCCC1 329789900 CKZSRXQIXISSNC-UHFFFAOYSA-N 301.415 4.764 30 20 DJED Cc1c(/C(O)=N/Cc2ccc3c(n2)CCCC3)oc2ccccc12 329959169 QJPBWDCXRPTKCB-UHFFFAOYSA-N 320.392 4.520 30 20 DJED CC#CCCCC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 373345087 DMCZYVMIYURZLN-INIZCTEOSA-N 323.358 4.563 30 20 DJED N#CCCCOc1cccc(N[C@@H]2CCCc3sccc32)c1 387240772 QMDYWGGXGVDXAD-QGZVFWFLSA-N 312.438 4.920 30 20 DJED Cc1nc(-c2ccccc2)sc1[C@H](C)NCC(C)(C)CC#N 414160146 CPWQYRRDQSFISC-ZDUSSCGKSA-N 313.470 4.709 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1oc2c(Cl)cccc2c1C 432341504 AMEWQKWIBBAAHM-UHFFFAOYSA-N 324.767 4.827 30 20 DJED Cc1sc(NC(=O)c2ccccc2C(C)(C)C)c(C#N)c1C 433713184 KKFOXSQPBXUMCN-UHFFFAOYSA-N 312.438 4.786 30 20 DJED C[C@@H](c1cc(F)ccc1F)N(C)Cc1ccc(C#N)cc1Cl 439437652 ZTNRELDHSFDUTI-NSHDSACASA-N 320.770 4.683 30 20 DJED COc1cc(N[C@H](C)c2cccc(C#N)c2)ccc1C(F)(F)F 448021005 GCUAGJAJIUGJBQ-LLVKDONJSA-N 320.314 4.759 30 20 DJED C=CC(C)(C)CNC(=O)c1occc1CSc1ccccc1 452774194 DKLFAGMQYPYAJQ-UHFFFAOYSA-N 315.438 4.514 30 20 DJED C=CC[C@H](CC)NC(=O)N1CCC[C@H]1c1cccc(Cl)c1 466326498 SHJRQGVUZDPCGK-HOTGVXAUSA-N 306.837 4.541 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1ccc(-c2csc(C)n2)cc1 466405342 NVWXCKROKHCWPU-CQSZACIVSA-N 315.442 4.595 30 20 DJED Cc1ccc(-c2nnc(SCCCC(C)(C)C#N)o2)cc1C 476471440 KHMRQEIUPXDQAF-UHFFFAOYSA-N 315.442 4.776 30 20 DJED N#CCCCSCc1cc(Br)ccc1Cl 479524942 IBAAUQALKIOSTO-UHFFFAOYSA-N 304.640 4.639 30 20 DJED CC(C)(C#N)CCCN1CCC[C@@H](c2ccc(F)cc2)CC1 481455380 ADCJNBKFEFVMMI-MRXNPFEDSA-N 302.437 4.725 30 20 DJED C=C(C)CN1CCC(N[C@H](C)c2ccc(-c3ccccc3)o2)CC1 482628660 JRKRZOZLCOUJQI-QGZVFWFLSA-N 324.468 4.638 30 20 DJED C=CC[C@@H](C(=O)Nc1cc(Cl)ccc1F)c1ccccc1 487581492 FSJHHJMFGVLERI-CQSZACIVSA-N 303.764 4.778 30 20 DJED Cc1ccc2ncc(C#N)c(OCc3ccc(C(F)F)cc3)c2c1 488280226 KUQHXHBKACXGJL-UHFFFAOYSA-N 324.330 4.932 30 20 DJED CCCCCOc1cc(/C=C\c2ccc(C#N)cn2)ccc1OC 489128442 ORGPGAXBFLVRPW-TWGQIWQCSA-N 322.408 4.701 30 20 DJED C=C[C@@H]1CCCCN1Cc1coc(-c2cccc(Cl)c2)n1 489402291 LVVJYWAFCSJPFY-MRXNPFEDSA-N 302.805 4.536 30 20 DJED C[C@@H](SCc1ccc(C#N)cc1F)c1ccc(F)c(F)c1 498131109 FQHGHKBJIHWYOX-SNVBAGLBSA-N 307.340 4.970 30 20 DJED Cc1cc(CN2CC=C(c3ccc(C#N)cc3)CC2)c(C)s1 502545513 VOQBUKPWWGQAFM-UHFFFAOYSA-N 308.450 4.526 30 20 DJED N#CCCN(Cc1ccco1)Cc1ccc(-c2ccccc2)s1 505765552 GFHBQSRTUKVKCR-UHFFFAOYSA-N 322.433 4.924 30 20 DJED Cc1ccc([C@@H](C)N(C)Cc2cccc(OCCCC#N)c2)cc1 507195715 VLFAQBGZWGJXBG-GOSISDBHSA-N 322.452 4.871 30 20 DJED CC(C)(C#N)CCCCN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 511895670 YEFVTTLVGDDJBY-ZCNNSNEGSA-N 310.485 4.975 30 20 DJED N#CC1CCC(CNC2CC(c3ccccc3Cl)C2)CC1 513491180 SCPLLAFOFKGVLT-UHFFFAOYSA-N 302.849 4.506 30 20 DJED C=CCOc1ccccc1C(=O)Nc1cc(C)c(F)cc1Cl 516112724 BAYMSJOYDOUDMP-UHFFFAOYSA-N 319.763 4.605 30 20 DJED CCCn1ccc2cc(NC(=O)Nc3cccc(C#N)c3)ccc21 519901987 IJTVPXYHTDUFGG-UHFFFAOYSA-N 318.380 4.567 30 20 DJED C[C@@H](NCc1ccc(CC#N)cc1)c1cc2ccccc2s1 527484603 PBBZEEWHZLUDRS-CQSZACIVSA-N 306.434 4.818 30 20 DJED CC(C)c1ccc(/C=C/CC(=O)Nc2ccccc2CC#N)cc1 554750246 CFVODKYUMZWYQT-AATRIKPKSA-N 318.420 4.918 30 20 DJED Cc1c(C(=O)Nc2ccccc2CC#N)oc2ccc(Cl)cc12 555513424 BEZQDYOBFZULKJ-UHFFFAOYSA-N 324.767 4.713 30 20 DJED C=CCC(C)(C)c1noc([C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)n1 556363863 OXSHMJUKYIWOPV-WDEREUQCSA-N 322.330 4.612 30 20 DJED N#C[C@@H](N[C@@H]1CCSc2ccc(Cl)cc21)C1CCCCC1 570001269 VDSWEMDIISCTDW-HZPDHXFCSA-N 320.889 4.939 30 20 DJED CCCCOc1cccc(CN[C@H](CC)c2ccc(C#N)cc2)c1 579433148 CIHPHNOOXNFWMQ-OAQYLSRUSA-N 322.452 4.978 30 20 DJED CC(C)[C@@H](NCc1ccc(C#N)s1)c1cc2ccccc2o1 579746616 MSZRXZAQTJBFLJ-GOSISDBHSA-N 310.422 4.853 30 20 DJED C[C@H](N[C@H](C)CCc1ccc(F)cc1F)c1cccc(C#N)c1 586790625 VDUKGUAMSIXUPX-KGLIPLIRSA-N 314.379 4.508 30 20 DJED CCC(C)(CC)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 589543544 OOHWFAPOECMFML-UHFFFAOYSA-N 323.396 4.510 30 20 DJED C[C@H](NCc1cnc(-c2ccccc2)s1)c1cccc(C#N)c1 610344645 CNWIPNVDTXJZLN-AWEZNQCLSA-N 319.433 4.533 30 20 DJED CCN(Cc1nccc2ccccc12)[C@@H](C)c1ccc(C#N)cc1 611256480 YUPAGJBHBFGOAY-INIZCTEOSA-N 315.420 4.690 30 20 DJED N#CCC1(CN[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)CC1 619535099 FTKBCGQRUFDAMW-HOCLYGCPSA-N 322.374 4.625 30 20 DJED C=C[C@@H]1CCCCN1C(=O)c1cc2c(Cl)cccc2s1 683788261 KOUFBCZXQVNCDK-LLVKDONJSA-N 305.830 4.735 30 20 DJED Cc1c(Cl)cccc1C(=O)[C@H](C#N)c1ccc2ccccc2n1 683807041 FESGQXUPJNEADR-OAHLLOKOSA-N 320.779 4.687 30 20 DJED C#Cc1cccc(NC(=S)N[C@H](c2ccccc2)C(C)(C)C)c1 726482566 KQXWQAXSOAWIFB-GOSISDBHSA-N 322.477 4.742 30 20 DJED CC1(c2ccccc2)CC(=NNc2nc3ccccc3s2)C1 729633961 UFKMCNPZMSRZMF-UHFFFAOYSA-N 307.422 4.816 30 20 DJED C=CCCC(=O)Oc1c(Cl)cc(Br)cc1Cl 731181918 YPZISTNCGRZBIP-UHFFFAOYSA-N 324.001 4.628 30 20 DJED C[C@H](CC#N)OC(=O)c1ccc(Oc2cccc(Cl)c2)cc1 733709065 IYIMPISLEQNEAC-GFCCVEGCSA-N 315.756 4.591 30 20 DJED CCC(=NNc1cnnc2ccccc12)c1cccc(Cl)c1 733750261 RGJAWABGBIKCNO-UHFFFAOYSA-N 310.788 4.509 30 20 DJED N#Cc1ccc(-c2cccc(CNCc3ccccc3F)c2)s1 740011338 MYGYOIILJQLFNW-UHFFFAOYSA-N 322.408 4.716 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl 741472738 XJOFVHXSUUSMRN-QHHAFSJGSA-N 308.711 4.523 30 20 DJED O=C(/C=C\c1cccc(F)c1)c1cccc(-c2ccncc2)c1 741472816 KOJQDJNFFOKVCN-FPLPWBNLSA-N 303.336 4.784 30 20 DJED CSc1ccc2c(c1)CC/C(=C/c1ccc(Cl)nc1)C2=O 748998137 NULRQJPRASCNLI-JYRVWZFOSA-N 315.825 4.669 30 20 DJED C#CCCCC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 757866077 QFQYFEJAPLZNDN-UHFFFAOYSA-N 320.417 4.705 30 20 DJED CC[C@@H](C#N)Oc1cccc(CNCC[C@@H](C)c2ccccc2)c1 775027870 LVLIBCMLXSSUDS-XLIONFOSSA-N 322.452 4.651 30 20 DJED CC[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccccc1OC 775089718 RUOPHOOHCKLRKT-LJQANCHMSA-N 322.452 4.737 30 20 DJED CCCCCCC1=NN(C)/C(=N/Cc2ccccc2)SC1 783935307 LBPSJSPIZVQPLI-ZCXUNETKSA-N 303.475 4.548 30 20 DJED CC(/C=C/C(=O)c1ccc(F)cc1)=C\c1cccc([N+](=O)[O-])c1 787168050 HYYSVAAJWNSLNI-VFIIPLLCSA-N 311.312 4.576 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccc(N(C)c3ccccc3)nc2)o1 797788155 KNTDVOXWVXBLLG-PKNBQFBNSA-N 318.376 4.647 30 20 DJED C[C@H](C#N)OCCSCC1CCC(c2ccccc2)CC1 802753096 WREGSQHPQAYTMN-KLHKWILBSA-N 303.471 4.622 30 20 DJED C/C(=C\c1cccc(Cl)c1)C(=O)Nc1scc(C)c1C#N 809005699 SWVXCDIGTPDPDE-UXBLZVDNSA-N 316.813 4.624 30 20 DJED Cc1cc(/C=C\C(=O)c2c(F)cccc2Cl)cnc1Cl 809159497 QJGZTAPYPWHUNQ-WAYWQWQTSA-N 310.155 4.732 30 20 DJED Brc1ccccc1NN=C/C=C\c1ccccc1 812461510 YDTWANOVIPRKOS-FUMQGXJOSA-N 301.187 4.560 30 20 DJED C#CCN(C(=O)Nc1ccc(SC(C)(C)C)cc1C)C1CC1 836361142 FWNSPZKUKFMMSO-UHFFFAOYSA-N 316.470 4.515 30 20 DJED C=CCC(C)(C)CNc1ccc([S@@](=N)(=O)C(F)(F)F)cc1 882399526 IHDHGCPBQPMQCY-OAQYLSRUSA-N 320.380 4.626 30 20 DJED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC=CCC2)cc1 915086394 JSYAMWLCATZIPQ-AZUAARDMSA-N 316.404 4.637 30 20 DJED CCC[C@H](CC(C)C)C(=O)N[C@@H](CCC#N)c1ccccc1 1127297301 NVNRTWHZXUWPNE-MSOLQXFVSA-N 300.446 4.610 30 20 DJED CCC[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@H]2C 1129228044 ZPBGCWSCYNZTKO-FDYHWXHSSA-N 316.470 4.680 30 20 DJED Cc1cc(Cl)ccc1CNc1cc(C#N)ccc1OC(C)C 1178901031 LDPFMISJOYXJOF-UHFFFAOYSA-N 314.816 4.919 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1CC[C@@](C)(CCc2ccccc2)C1 1191444106 ICWLLXIYYOEAPH-PGRDOPGGSA-N 318.464 4.964 30 20 DJED CCc1cc2c(Sc3cccc(C#N)c3)nc(C)nc2s1 1306992046 QLKMJDVKHMLRCE-UHFFFAOYSA-N 311.435 4.585 30 20 DJED N#Cc1cccc(C#N)c1N[C@@H]1CCC[C@H](c2ccccc2)C1 1307113401 ZFPHGRXNLFGDJP-QFBILLFUSA-N 301.393 4.568 30 20 DJED CCc1ccc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 1307488921 ZLJZOCJRWQBNDS-NHCUHLMSSA-N 304.437 4.521 30 20 DJED C[C@H]1CCC[C@@H]([C@H](C)NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 1310043334 PLRFVMOTQVOWHR-RWMBFGLXSA-N 319.836 4.548 30 20 DJED N#Cc1cccc(C(=O)OCc2ccc(-c3ccccc3)cc2)c1 1353774845 SQDMVJMYCKYJNX-UHFFFAOYSA-N 313.356 4.582 30 20 DJED Cc1coc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 1356125528 ZVWSGLBDRFUQPM-UHFFFAOYSA-N 318.332 4.504 30 20 DJED CC[C@H](C)CC(=O)OCc1ccccc1Oc1ccccc1C#N 1436239554 SGEAJQHJHHCCOD-HNNXBMFYSA-N 323.392 4.830 30 20 DJED Cc1cc(C#N)ccc1CN(C)[C@H]1CCC[C@@H]1c1ccccc1 1473539538 QVIINCJDQSSIKZ-RTWAWAEBSA-N 304.437 4.635 30 20 DJED CC(C)(C)c1ccc2c(c1)CCCN2C(=O)C1(C#N)CCCCC1 1535526253 ACZPCGOMLYMTCP-UHFFFAOYSA-N 324.468 4.737 30 20 DJED CC[C@H](C)CC(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@@H]2C 1544389909 FJVBGCIXPCEFOG-TUAOUCFPSA-N 304.459 4.680 30 20 DJED C[C@@H](CC(C)(C)C#N)NCC1(c2ccc(F)cc2F)CCCC1 1560771916 JPEWXINSYQTJKD-AWEZNQCLSA-N 320.427 4.695 30 20 DJED COc1ccc(COc2c(C)cc(Cl)cc2C#N)cc1Cl 1641218100 UDVXYROLBVWBNT-UHFFFAOYSA-N 322.191 4.761 30 20 DJED CC(C)N(Cc1ccc(-c2ccccc2C#N)cc1)CC(F)F 1644937564 XIYDRCQRKPCFTK-UHFFFAOYSA-N 314.379 4.701 30 20 DJED CCCCn1ncc(NCc2ccc(C#N)c(C)c2)c1C(C)C 1656186444 NKYPXEWWTYQYJQ-UHFFFAOYSA-N 310.445 4.599 30 20 DJED CC[C@H](CN(CC)Cc1ccc(F)cc1C#N)c1ccccc1 1658336072 HLZDJNPBDWQNBR-MRXNPFEDSA-N 310.416 4.713 30 20 DJED C[C@@H](Cc1ccc(C(F)(F)F)cc1)Nc1cccc(CC#N)c1 1659236138 MIIWNBFWSDTXSL-ZDUSSCGKSA-N 318.342 4.815 30 20 DJED C=C(CNC(=O)NC1CCC(CCCC)CC1)c1ccccc1 1667254195 QJOCTDINFVOZFC-UHFFFAOYSA-N 314.473 4.748 30 20 DJED CC(C)(C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 46706813 VBNFMDBJUQRTCD-GFCCVEGCSA-N 318.829 4.686 30 20 DJED CCCCCCCCOC(=O)c1nc(C(C)C)ncc1Cl 88218570 KCWKJWHIHSXAOJ-UHFFFAOYSA-N 312.841 4.771 30 20 DJED CC(C)c1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 106873172 VTZNXVADOUWUQT-ONNFQVAWSA-N 313.328 4.753 30 20 DJED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1cccs1 117110746 UVJQYVDENYDXMF-GFCCVEGCSA-N 323.508 4.505 30 20 DJED Cc1cccc(NC(=O)CS[C@H](C)c2ccc(C#N)cc2)c1C 118446532 MWMCFPJPMYIGPG-OAHLLOKOSA-N 324.449 4.608 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)c1ccccc1 123741740 WBMOWEAEDJPLJF-LSDHHAIUSA-N 324.449 4.681 30 20 DJED CCCCCCCSc1nnc(-c2cccnc2)n1C1CC1 125467231 IVVYHRZPTBQMRI-UHFFFAOYSA-N 316.474 4.738 30 20 DJED C=CCCSCC(=O)Nc1ccccc1Cc1ccccc1 151994685 HVHNLSHMLHLOQI-UHFFFAOYSA-N 311.450 4.525 30 20 DJED C=CCCCCCN(C)C(=O)Nc1cc(OC)ccc1Cl 158691173 ZQPDGHQSJSHUTP-UHFFFAOYSA-N 310.825 4.559 30 20 DJED Cc1ccccc1[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)C(C)C 181741780 WQKCIAZWWCFRQE-UTKZUKDTSA-N 322.452 4.945 30 20 DJED C=CCCC[C@@H](C)NC(=O)C[C@H](c1ccccc1)C(F)(F)F 182632061 ZCNFHHPCPONIGF-UKRRQHHQSA-N 313.363 4.584 30 20 DJED N#CCCSc1ccccc1NCc1cc(F)cc(F)c1 187282125 JUOIZCOJUAGWBW-UHFFFAOYSA-N 304.365 4.583 30 20 DJED N#Cc1ccc(OCc2coc(-c3cccs3)n2)c(Cl)c1 198333332 XIERCOJWHAAWIV-UHFFFAOYSA-N 316.769 4.507 30 20 DJED N#Cc1ccc(F)cc1CSc1nc2ccccc2s1 236156905 HCAPWPWZBWLKBN-UHFFFAOYSA-N 300.383 4.599 30 20 DJED C[C@H](N[C@@H]1CC2(CCC2)Oc2ccccc21)c1ccc(C#N)cc1 268815235 PRPFEPCPOZHKPB-HNAYVOBHSA-N 318.420 4.655 30 20 DJED CC[C@@H]1OCCC[C@H]1C(O)=Nc1scnc1-c1ccccc1 330253570 OVQASJOOLIKGER-KGLIPLIRSA-N 316.426 4.603 30 20 DJED N#CC1(CCN(CCC(F)(F)F)CC2CC2)CCCCC1 411331909 MCCHHOCJBULFNP-UHFFFAOYSA-N 302.384 4.515 30 20 DJED Cc1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 424573637 ISWBISLBMVSJND-OALUTQOASA-N 318.420 4.538 30 20 DJED Cc1cc(C#N)cc(NC(=O)N2CCC[C@H]2c2ccccc2C)c1 455979860 FBUQXBGKQKJZRF-IBGZPJMESA-N 319.408 4.544 30 20 DJED CC[C@@H]1CN(C(=O)C2(C#N)CCCCC2)CC[C@@H]1c1ccccc1 470193636 KPSBORLTTPKVCU-MJGOQNOKSA-N 324.468 4.503 30 20 DJED Cc1nc(SCc2cccc(C#N)c2)[nH]c1-c1ccccc1 488222924 QGVLIHMORWXKRG-UHFFFAOYSA-N 305.406 4.549 30 20 DJED C=CC[C@H](C(=O)Nc1ncc(C(C)C)s1)c1ccccc1 489024475 SUWAWIJCWFIFSQ-AWEZNQCLSA-N 300.427 4.565 30 20 DJED C=CC1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 517658671 OBANQOINYFMOCP-UHFFFAOYSA-N 307.393 4.517 30 20 DJED C=CCOc1ccccc1CN[C@H]1CCc2c(Cl)cccc21 531715409 XVLPGRPLFBXFEX-SFHVURJKSA-N 313.828 4.682 30 20 DJED C=C(C)[C@@H](CC(=O)Nc1cc(Cl)c(C)cc1Cl)OCC 535205405 HFGANYFONUMSDW-CQSZACIVSA-N 316.228 4.612 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 539408471 VPWNTLZGOBWQNC-PMACEKPBSA-N 323.411 4.534 30 20 DJED N#CCc1ccc(CNc2ccccc2OC2CCCC2)cc1 543166334 OOEOSBJKTJVDOX-UHFFFAOYSA-N 306.409 4.686 30 20 DJED Cc1cc(C#N)cc(C)c1OCc1ncc(-c2ccc(F)cc2)o1 567532429 CJVBIMLPVMEFRU-UHFFFAOYSA-N 322.339 4.548 30 20 DJED CC(C)(C#N)CCSCc1ccc(F)cc1Br 574193243 KEJPRYOWOCRFGV-UHFFFAOYSA-N 316.239 4.761 30 20 DJED C[C@@H](c1ccc(Br)cc1)N1CCC(CCC#N)CC1 576104631 UMIFRXKWRCUPJW-ZDUSSCGKSA-N 321.262 4.526 30 20 DJED C[C@H](CCC#N)CN1CCc2sccc2[C@@H]1c1cccs1 602435623 JDYAWLXOWZSRCN-CXAGYDPISA-N 316.495 4.697 30 20 DJED C=CCCCCCN(C)C(=O)NCc1cccc2ccccc12 606923528 QQOFZOKDWAVUQR-UHFFFAOYSA-N 310.441 4.728 30 20 DJED CC(C)c1ccc(C(C)(C)NC(=O)c2ccc(CC#N)cc2)cc1 611148737 JNPUPISUZDQUOQ-UHFFFAOYSA-N 320.436 4.541 30 20 DJED CCCc1ccc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1 618806298 QJFKWSZATBJYIM-YCRPNKLZSA-N 304.437 4.849 30 20 DJED C=CCN(CC=C)C(=O)Nc1ccccc1Oc1ccc(C)cc1 642424331 RVWKQDDZIAEUFG-UHFFFAOYSA-N 322.408 4.993 30 20 DJED C=C(C)CN(CC)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 676438752 OMBCNCKCUVGBKA-UHFFFAOYSA-N 313.372 4.656 30 20 DJED C=CCN(C(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C)C(C)C 728868187 CSSOLZMXABIGNZ-KRWDZBQOSA-N 324.468 4.751 30 20 DJED C=CCCC(=O)O[C@@H](C)C(=O)c1ccc(Oc2ccccc2)cc1 744919846 GDQJXRQMDBGPMW-HNNXBMFYSA-N 324.376 4.560 30 20 DJED CCC(=NNc1ccc(Cl)c(Cl)c1)C1CCOCC1 745199995 HMYNJJYGPJHVIG-UHFFFAOYSA-N 301.217 4.598 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)s1 748994127 HBAPMRBDILRUSD-GQCTYLIASA-N 308.189 4.823 30 20 DJED C=C(Br)CN1CCCC[C@@H]1c1cc2ccccc2[nH]1 749299263 VHFQNVIGBKDSLC-MRXNPFEDSA-N 319.246 4.604 30 20 DJED CC(=NNc1nccnc1C(C)C)c1cccc(Cl)c1Cl 773093683 NOOLLGKOCMESSB-UHFFFAOYSA-N 323.227 4.743 30 20 DJED CCCOc1ccc(/C=C\C(=O)c2cccc(F)c2F)cc1 776268449 ONGSPAAKHUEYPW-FLIBITNWSA-N 302.320 4.650 30 20 DJED CC(C)(C)[C@](C)(C#N)NC(=O)c1sc2ccccc2c1Cl 779464263 OSUUEFWBVCBKOQ-INIZCTEOSA-N 320.845 4.613 30 20 DJED C#CCCCCCC(=O)N1CCC[C@H]1c1ccccc1Cl 780388719 SOPHGUVSMMCBTB-KRWDZBQOSA-N 303.833 4.587 30 20 DJED O=C1/C(=C\c2ccc3cnccc3c2)CCc2cc(F)ccc21 782340918 HBRYGIVJLAJYHL-YBEGLDIGSA-N 303.336 4.586 30 20 DJED COc1ccc(NN=C[C@H](C)c2ccc(C(F)(F)F)cc2)cc1 789033885 JWSPFKWAYOLGKA-LBPRGKRZSA-N 322.330 4.915 30 20 DJED CC(C)CC[C@H]1CCCC1=NNc1ccc2c(=O)[nH]ccc2c1 789073283 IQBVTIDJBCDLQD-CQSZACIVSA-N 311.429 4.532 30 20 DJED COc1ccc(C(=O)/C=C/c2ccsc2Cl)c(C)c1OC 794738258 JPNKNJOYNWIBJW-GQCTYLIASA-N 322.813 4.623 30 20 DJED N#Cc1ccc(SCOC2CCCC2)cc1C(F)(F)F 808032675 ZREMWUVOWDRLIZ-UHFFFAOYSA-N 301.333 4.586 30 20 DJED CCCCCCCCC(=O)Nc1cccnc1C(F)(F)F 809330663 SDXQWGJCWYFCIR-UHFFFAOYSA-N 302.340 4.790 30 20 DJED C=CCC1(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)CCCC1 835388816 WTUFLUSPYLDXAL-CYBMUJFWSA-N 316.470 4.753 30 20 DJED CC[C@H](CC1CCCC1)C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842940455 AEMQKJCPQSVRBN-HIFRSBDPSA-N 316.470 4.803 30 20 DJED O=C(/C=C\c1ccc(-n2cccn2)cc1)c1ccc2ccccc2c1 884003421 RVELKLMCFXXFBN-JYRVWZFOSA-N 324.383 4.922 30 20 DJED C=CC[C@@H](c1ccccc1)c1nc(CCc2ccccc2)no1 904580258 PCMZDXBRZZGHGS-SFHVURJKSA-N 304.393 4.563 30 20 DJED Cc1ccc(C#N)cc1NC(=O)C(C)(C)CCCc1ccccc1 1126698524 WUBOICPXSMGREX-UHFFFAOYSA-N 320.436 4.854 30 20 DJED Cc1cc(N(C)[C@H](C)c2ccc(Cl)c(Cl)c2)ncc1C#N 1185082007 YRPOARTZBDZRTP-LLVKDONJSA-N 320.223 4.766 30 20 DJED CCC(CC)Oc1ccc(C(=O)Nc2cc(C)cc(C#N)c2)cc1 1275796934 MQLSKCTZKSQVFB-UHFFFAOYSA-N 322.408 4.686 30 20 DJED Cc1cccc(CCCN(Cc2ccc(C#N)cc2)C(C)C)c1 1307439393 YCYSQBFUODHOEV-UHFFFAOYSA-N 306.453 4.710 30 20 DJED N#Cc1ccc(CN[C@@H]2CCCC[C@H]2Cc2ccccc2)s1 1307709360 PYTFQIZHIHWNON-QFBILLFUSA-N 310.466 4.511 30 20 DJED CC(C)CCC[C@H](C)NC(=O)Nc1ccc(C#N)c(Cl)c1 1310044329 PJYKACVRPLHPTK-LBPRGKRZSA-N 307.825 4.548 30 20 DJED Cn1cc(-c2ccc(/C=C/C(=O)c3cccc(Cl)c3)cc2)cn1 1339669413 FSAZCCHHIBGVNJ-JXMROGBWSA-N 322.795 4.637 30 20 DJED Cc1coc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 1359976860 GOYRZOBKMUVQGJ-UHFFFAOYSA-N 318.332 4.504 30 20 DJED CCC(C)(CC)C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 1456776568 NHFPSIYCWQUWGL-UHFFFAOYSA-N 323.396 4.510 30 20 DJED Cc1cccc2nc(N(Cc3ccc(C#N)cc3)CC(C)C)oc12 1458143969 OLTYICXARQZXTK-UHFFFAOYSA-N 319.408 4.671 30 20 DJED N#CC1(CC(=O)NC(C2CCCC2)C2CCCC2)CCCCC1 1462943088 OLPASTFGHGPBRF-UHFFFAOYSA-N 316.489 4.716 30 20 DJED CC(C)c1ccc2ncnc(N(CCC#N)CC(C)(C)C)c2c1 1472748691 IUFWVEDDYZZUGL-UHFFFAOYSA-N 310.445 4.519 30 20 DJED C[C@H]1CCCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 1476646434 LYWCUARFDPZOBM-LBPRGKRZSA-N 319.474 4.571 30 20 DJED CC[C@H](CC(=O)Nc1scc(C(C)(C)C)c1C#N)C(C)C 1595897632 LLIVEAOKUTZAIW-GFCCVEGCSA-N 306.475 4.928 30 20 DJED N#Cc1cc(CN(C2CC2)[C@H]2CCCc3ccccc32)ccc1F 1644806206 KXNCTKZSKXZSFP-NRFANRHFSA-N 320.411 4.739 30 20 DJED C[C@H]1CCCC[C@H]1CNc1ccc(Oc2ccnc(C#N)c2)cc1 1657466119 RJNQSDZYFBWCQY-HOTGVXAUSA-N 321.424 4.984 30 20 DJED C[C@@H]1CN(Cc2ccc(CC#N)cc2)CCc2ccc(Cl)cc21 1659272810 QAKWGFFVEVIVQU-OAHLLOKOSA-N 324.855 4.568 30 20 DJED CC(C)(C)C[C@H](NC(=O)Nc1ccc(C#N)cc1)c1ccccc1 1665020709 JNQZMCLYYMHXMP-SFHVURJKSA-N 321.424 4.857 30 20 DJED CCc1c(C)sc(NC(=O)c2ccc(F)cc2Cl)c1C#N 68677918 ZQDUHUZZBNSZFI-UHFFFAOYSA-N 322.792 4.535 30 20 DJED O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 96766639 BEXCWVQKOHIDBI-FPLPWBNLSA-N 321.254 4.510 30 20 DJED Cc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)c(Cl)c1 123796919 ZGQRLQPRTVWPPL-CYBMUJFWSA-N 300.789 4.551 30 20 DJED C=C[C@@H](CC(=O)N(C1CC1)[C@H](C)c1ccco1)c1ccccc1 179077340 HFYPWQWQHIQQLC-CVEARBPZSA-N 309.409 4.692 30 20 DJED CC[C@H](C)[C@@H](C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 180326547 GCNBOAHTZGVMOX-MELADBBJSA-N 304.459 4.559 30 20 DJED C[C@@H](NCc1ccc(F)cc1C#N)c1cccc2ccccc12 181668099 JCHPUJHPYVZBOW-CQSZACIVSA-N 304.368 4.701 30 20 DJED CC(C)(C)C[C@H](NCc1ccc(C#N)cc1)c1ccc(F)cc1 236631354 VZSBVJSJTKEDTO-IBGZPJMESA-N 310.416 4.964 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@@H]2Nc1snc(Cl)c1C#N 301932793 PSWAZQPCAVTASO-NSHDSACASA-N 321.833 4.695 30 20 DJED Cc1ccccc1[C@@H](C)CC(=O)Nc1ccc(C(C)(C)C#N)cc1 303639140 HCJSSJJJTPASQA-INIZCTEOSA-N 320.436 4.929 30 20 DJED C=CCCSc1nnc(-c2cccs2)n1-c1ccccc1 303834968 RPDXWZAJWPQRQB-UHFFFAOYSA-N 313.451 4.664 30 20 DJED CC(C)Oc1ccccc1[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 320238737 WCGDQPWRIPLBMH-JKSUJKDBSA-N 308.425 4.757 30 20 DJED N#Cc1ccc(CC/C(O)=N/[C@H]2CCCCC23CCCC3)cc1 329721525 DZJVQUBORJXDTP-SFHVURJKSA-N 310.441 4.950 30 20 DJED C=CCC[C@@H](NCCCCC#N)c1ccc(C(F)(F)F)cc1 342221169 KOHRNASECNLPCV-MRXNPFEDSA-N 310.363 4.996 30 20 DJED C=CCC1(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CCC1 361467436 VGCGQYDAAXNRHM-AWEZNQCLSA-N 321.873 4.740 30 20 DJED CC[C@H](CC(C)C)C(=O)Nc1ccccc1SCCC#N 410460916 YTSZOVREOHPTRZ-CQSZACIVSA-N 304.459 4.703 30 20 DJED CCC(CC)CN(CCC#N)Cc1nc2ccc(F)cc2s1 432749406 UMMBLBAKIOHPRT-UHFFFAOYSA-N 319.449 4.587 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@@H]1C[C@H]1c1ccccc1 463101164 CWUYSFBVLYNCGP-KJJMTIBFSA-N 316.448 4.562 30 20 DJED CC(C)(C#N)c1ccc(C(=O)N(CC2CC2)C2CCCCC2)cc1 475584484 BZNKXTHJACVOJI-UHFFFAOYSA-N 324.468 4.673 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@H]2CC[C@H](c3ccc(F)cc3)C2)c1 480588628 KCEIVAMEUSOOBS-LPHOPBHVSA-N 322.383 4.648 30 20 DJED C=CCC[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 487586058 DKRRDXHIQGXGRC-KRWDZBQOSA-N 309.409 4.692 30 20 DJED Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2NCCCCC#N 489480121 AAPUTHIJMHAPNH-GOSISDBHSA-N 314.473 4.790 30 20 DJED CC(C)(C#N)c1ccccc1CN[C@@H](Cc1ccccc1)C1CC1 495461619 WPFLTQPZTTUULA-NRFANRHFSA-N 318.464 4.599 30 20 DJED N#Cc1ccc(F)c(CN2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)c1 502782986 FPFSGDPAEQXNCG-WOJBJXKFSA-N 318.395 4.518 30 20 DJED C=CCN(CC=C)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 503336051 JJOOFKJTRSONNC-KRWDZBQOSA-N 300.446 4.548 30 20 DJED CCC[C@H](C)CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 505539185 FRIHWPBGUPUSAP-GXFFZTMASA-N 313.228 4.501 30 20 DJED Cc1ccc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c2c1CCC2 519584818 UMRDNVYOWNWHAI-MRXNPFEDSA-N 324.449 4.554 30 20 DJED C=CC[C@@H](C)N[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 523935671 BRXFPJKASSPPAL-QRWLVFNGSA-N 318.420 4.646 30 20 DJED C[C@H](C(=O)Nc1ccc(Cl)c(C#N)c1)c1cccc(Cl)c1 525136245 KVMRHHYPTLLTAJ-JTQLQIEISA-N 319.191 4.607 30 20 DJED C[C@H](NC[C@@H](C)Sc1ccccc1)c1ccc(C#N)c(F)c1 537408159 SNVGTWLXRHTLQX-KGLIPLIRSA-N 314.429 4.529 30 20 DJED CCCC[C@@H](NCc1ccc(CC#N)cc1)c1ccc(OC)cc1 543182406 REHWSZIRKFZSOH-OAQYLSRUSA-N 322.452 4.782 30 20 DJED CC(C)c1ccc2occ(C(=O)N[C@](C)(C#N)C(C)(C)C)c2c1 582444307 YPFCIALPFZRFSC-LJQANCHMSA-N 312.413 4.614 30 20 DJED N#CCCCCCC(=O)N1CCC[C@@H]1c1cccc2ccccc12 588751823 PMRLDSDFCJJEGR-HXUWFJFHSA-N 320.436 4.977 30 20 DJED CC(C)(C#N)Cc1nc(C(C)(C)c2ccc3ccccc3c2)no1 601392292 YOEJQDFGTZEGTI-UHFFFAOYSA-N 319.408 4.641 30 20 DJED N#Cc1ccc(CN2CCC[C@H]2c2ccccc2Cl)c(F)c1 603856967 IMVXDIQJKWUBAE-SFHVURJKSA-N 314.791 4.688 30 20 DJED C[C@@H](CCC1CCCCC1)NC(=O)Nc1ccc(CC#N)cc1 609683426 UDYBSVSAYQEMQK-HNNXBMFYSA-N 313.445 4.623 30 20 DJED CCN(CCC(F)(F)F)Cc1ccc(F)cc1C(F)(F)F 678223144 PTFHYGBBEVBJNX-UHFFFAOYSA-N 317.248 4.619 30 20 DJED N#Cc1ccc(NC(=S)Nc2ccccc2Cl)cc1Cl 726433824 URGXQELDDLDCNY-UHFFFAOYSA-N 322.220 4.674 30 20 DJED N#C[C@H](C(=O)C1CCCCCC1)c1nc2cc(F)ccc2s1 730416723 HGBHOBOJCQNJOA-CYBMUJFWSA-N 316.401 4.582 30 20 DJED CC[C@H](CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)C(C)C 730418653 YDBVHFMQWRSWKO-DGCLKSJQSA-N 318.417 4.684 30 20 DJED CCOc1cccc(C(=O)/C=C\c2cnc(C(C)(C)C)s2)c1 736433301 CMEGACPWWZZJHG-KTKRTIGZSA-N 315.438 4.735 30 20 DJED C=C(Cl)CNC(=O)Nc1cccc(CSC2CCCC2)c1 741072524 WGGXMAALXNMRCG-UHFFFAOYSA-N 324.877 4.736 30 20 DJED COc1ccc(/C=C\C(=O)c2ccccc2C(F)(F)F)cc1F 747003256 GBFHFZTZIBBTGJ-VURMDHGXSA-N 324.273 4.749 30 20 DJED CCCCCC1=C(C)CCC1=NNc1nc(O)c2ccccc2n1 757582526 AXUWCIDXUJDKMS-UHFFFAOYSA-N 324.428 4.794 30 20 DJED C=CC[C@H]1N(C(=O)c2cc(Cl)c(Cl)[nH]2)CCCC1(C)C 768096034 AXLJUYLFRVFVRM-GFCCVEGCSA-N 315.244 4.528 30 20 DJED C#CC[C@H](N[C@H](CCC)c1ccc(OC)cc1)c1ccccc1 773113146 BUYAFWBPJLRBRX-LEWJYISDSA-N 307.437 4.891 30 20 DJED C[C@@H](OC(=O)/C=C/c1ccccc1C#N)c1ccccc1Cl 775081642 FTALBQGWHSJVJU-OCHBPSSRSA-N 311.768 4.529 30 20 DJED CCCCC[C@@H](CC)C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 776090455 KJNKXVBGDSJDKP-HUUCEWRRSA-N 311.429 4.654 30 20 DJED C#CCCCCCC(=O)Nc1ccc(F)cc1OC1CCCC1 779989525 ZORXNJRAZLXSSU-UHFFFAOYSA-N 317.404 4.669 30 20 DJED C#CCCCCCC(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C 780007007 LGHZQELVNWXXQJ-HNNXBMFYSA-N 320.502 4.678 30 20 DJED CCCCCCCCC[S@@](=O)c1ccc(NC(C)=O)cc1 790205069 PHMWMJOLLWGUDA-OAQYLSRUSA-N 309.475 4.503 30 20 DJED COc1ccc(C(=O)/C=C/C=C/c2ccc(F)c(F)c2)cc1F 794697192 KLWWZGSQSZNGJY-ZUVMSYQZSA-N 318.294 4.565 30 20 DJED CCOc1ccc2ccccc2c1OC(=O)CCCCCC#N 805918110 ITDNBBQPBQRVCV-UHFFFAOYSA-N 311.381 4.618 30 20 DJED CCCCCCC[C@H](C)CN[C@@H]1CCO[C@H](C(F)(F)F)C1 806130898 DQOBDVPVYVHPOG-ZNMIVQPWSA-N 309.416 4.683 30 20 DJED C[C@@H](C(=O)N(O)Cc1cccc2ccccc12)c1ccccc1F 901370062 PUCOLALDLQQPIN-CQSZACIVSA-N 323.367 4.500 30 20 DJED N#CC1(c2cccc(-c3cccc4scnc34)c2)CCOCC1 906204050 DVESPNVZVRYMEI-UHFFFAOYSA-N 320.417 4.535 30 20 DJED CCCCCCCCCSc1nnc(-c2ccncc2)o1 915791760 IPSOXDIZDMJXPT-UHFFFAOYSA-N 305.447 4.974 30 20 DJED FC(F)(F)c1ccccc1NN=C1CSCc2ccccc21 915939796 VYUSNSDIXJKVQC-UHFFFAOYSA-N 322.355 4.768 30 20 DJED N#C[C@@H](C(=O)CSc1ccc2ccccc2c1)c1ccccc1 917136613 IMJUBHHOJWEOSC-LJQANCHMSA-N 317.413 4.808 30 20 DJED CC(=NN[C@@H](C)c1ccccc1)c1ccccc1Br 920386421 ZXAVJDJFSXCCIK-LBPRGKRZSA-N 317.230 4.524 30 20 DJED Cc1cc(CSc2cccc(F)c2C#N)c2ccccc2n1 1166246412 GOFVMDQSDYVENR-UHFFFAOYSA-N 308.381 4.846 30 20 DJED N#CC1(CN[C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CCC1 1206328998 RGEJPUQUYHSKAU-WBVHZDCISA-N 302.849 4.650 30 20 DJED Cc1cc(C#N)ccc1CN1C[C@@H](C)C[C@H]1c1ccccc1F 1307503873 LROILPPBAZEGES-XOBRGWDASA-N 308.400 4.589 30 20 DJED CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 1355656098 KOXQWDDRXAHXKZ-RDTXWAMCSA-N 320.392 4.725 30 20 DJED CC(C)CC1(CNc2c(Br)cccc2C#N)CCC1 1458251370 HUJZLMNVUYSFFX-UHFFFAOYSA-N 321.262 4.949 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCCC2(CCCCC2)C1 1459469325 VQVLODJCOKTJBT-UHFFFAOYSA-N 302.849 4.758 30 20 DJED CCOC(=O)Nc1ccc(N[C@@H](C)C2CCCCC2)cc1C#N 1462074295 WMZGRGBZMFNPIH-ZDUSSCGKSA-N 315.417 4.507 30 20 DJED CCc1ccc(CCN(Cc2ccc(C#N)cc2)CC(C)C)cc1 1473128316 INAUPVAERVEYAL-UHFFFAOYSA-N 320.480 4.821 30 20 DJED CCCc1ccc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 1473180900 PUGOUXZGCTVAJK-VXKWHMMOSA-N 318.464 4.911 30 20 DJED C[C@H](CC1CCCCC1)C(=O)Nc1cc(C#N)c2ccccc2n1 1539551184 CSBNQXDQLDYMPP-CQSZACIVSA-N 321.424 4.651 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)Nc1cc(C#N)ccc1F 1596936978 VSYBJOWIAZSSEE-DZGCQCFKSA-N 322.383 4.625 30 20 DJED Cc1cc(N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)ncc1C#N 1612487233 BEMHTZHQXZTMBP-WMLDXEAASA-N 311.816 4.663 30 20 DJED C[C@@H]1CCN(Cc2cccc(C#N)c2F)c2ccccc2S1 1615929141 OPXUFUABJIPRFV-CYBMUJFWSA-N 312.413 4.588 30 20 DJED C[C@H](NCCc1ccc2ccccc2c1)c1ccc(C#N)cc1 1645614055 HHERVWPUESOOER-INIZCTEOSA-N 300.405 4.605 30 20 DJED Cc1nsc(NC[C@H]2CCCC[C@H]2c2ccccc2)c1C#N 1651067235 MYPJBIRPXHRAPY-CVEARBPZSA-N 311.454 4.709 30 20 DJED Cc1nc(N2C[C@H](C)C[C@H]2c2ccccc2)c(Cl)cc1C#N 1651830161 NCPNCBAADHGNSL-PXAZEXFGSA-N 311.816 4.503 30 20 DJED C[C@@H]1CCCC[C@@H]1COc1cc(Br)ccc1C#N 1652879523 UWHQYGQVJGECKV-DGCLKSJQSA-N 308.219 4.526 30 20 DJED COc1cc(CN[C@H](CC(C)C)c2ccccc2C)ccc1C#N 1655620917 ITZLJPUIXWHUCL-HXUWFJFHSA-N 322.452 4.752 30 20 DJED N#CCC1(CN2CCC(Sc3ccc(Cl)cc3)CC2)CC1 1657849404 GPASLGXOOIPUIU-UHFFFAOYSA-N 320.889 4.590 30 20 DJED C[C@@H](CCC#N)CN(Cc1ccc(F)cc1F)C1CCCC1 1658927297 KZGSZWMSCLHNDA-AWEZNQCLSA-N 306.400 4.649 30 20 DJED CC(C)CC[C@@H](NC(=O)Nc1ccc(F)cc1C#N)C(C)(C)C 1669604932 PZCGGYNMRUVAMB-MRXNPFEDSA-N 319.424 4.670 30 20 DJED CC(C)(C)CC(=NNc1ccc(Cl)c(C(=O)O)c1)C1CC1 1776033719 XBPOTMSJEUTNCO-UHFFFAOYSA-N 308.809 4.652 30 20 DJED Cc1c(NN=C2C[C@@H](C)CC[C@@H]2C(C)C)cccc1C(=O)O 1776086465 WBLFWHTZAMQZLZ-GXTWGEPZSA-N 302.418 4.553 30 20 DJED Cc1c(NN=C(C(C)C)C2CCCCC2)cccc1C(=O)O 1776087108 JAHAWTYUMNLNAO-UHFFFAOYSA-N 302.418 4.697 30 20 DJED N#CCCCOc1cccc(NCc2cccc(Cl)c2)c1 37777362 CMPIPFMBTHMOAM-UHFFFAOYSA-N 300.789 4.635 30 20 DJED CCn1c([C@H]2CCCN2CCCC(C)(C)C#N)nc2ccccc21 84131395 INXPTEWURGWANC-GOSISDBHSA-N 324.472 4.523 30 20 DJED C[C@H](CCc1ccco1)Nc1ccc(C#N)c(C(F)(F)F)c1 108968937 UMMSNUKZCHBAIJ-LLVKDONJSA-N 308.303 4.603 30 20 DJED N#CCOc1ccc(C(=O)/C=C/c2cc3ccccc3s2)cc1 125074016 ILDWCMNYSIHECP-MDZDMXLPSA-N 319.385 4.700 30 20 DJED C=C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)c1ccccc1 155717246 KOJCEKTZTLMKEB-QGZVFWFLSA-N 320.436 4.585 30 20 DJED N#Cc1ccccc1SCc1coc(-c2cccc(F)c2)n1 173711046 AEPWDNVFZMBVHV-UHFFFAOYSA-N 310.353 4.645 30 20 DJED Cc1cc(C)c(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)o1 175117203 MAFNXJIIEIEZAX-AWEZNQCLSA-N 322.389 4.510 30 20 DJED N#Cc1cc(NC(=O)c2ccc3ccccc3c2)ccc1Cl 196521858 HQYREUMGNRJTIZ-UHFFFAOYSA-N 306.752 4.617 30 20 DJED Cc1cc(C)c2c(c1)C(=O)/C(=C/c1ccc3ncccc3c1)CO2 210707991 ZXFFNGFKLYYBSU-GZTJUZNOSA-N 315.372 4.510 30 20 DJED CCCCN(CCCC)c1ccc(C#N)c(Br)c1 228177303 DLRGCZPMLINQMP-UHFFFAOYSA-N 309.251 4.727 30 20 DJED COc1ccc2cc(CNc3ccc(CC#N)cc3)ccc2c1 237288288 ZQEQGXXJKLJNAE-UHFFFAOYSA-N 302.377 4.527 30 20 DJED C=C[C@@H](CC(=O)N1CCc2sccc2[C@@H]1C)c1ccccc1 270267072 ZJMRAGFOQNDILX-GJZGRUSLSA-N 311.450 4.554 30 20 DJED C=CCSc1ccccc1C(=O)Nc1sc(CC)nc1C 341664022 TXELFRFWULYIMF-UHFFFAOYSA-N 318.467 4.544 30 20 DJED Cc1c(C(=O)N[C@H](C)c2ccccc2)sc2ccc(C#N)cc12 428002436 XIQTVWKXGFVHPX-CYBMUJFWSA-N 320.417 4.572 30 20 DJED C=CCC(C)(C)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 431754801 POLLAXBQAZMUMB-HXUWFJFHSA-N 319.448 4.763 30 20 DJED CCN(Cc1ccc(C#N)cc1Cl)[C@@H](C)c1cccc(O)c1 439449978 KFLPCRDDDGKGFO-ZDUSSCGKSA-N 314.816 4.500 30 20 DJED CCCc1nc(CS[C@H](C)c2cccc(C#N)c2)cs1 443162091 OHIOMXGYAWMJAO-GFCCVEGCSA-N 302.468 4.962 30 20 DJED CC[C@H](NCc1oc2ccc(F)cc2c1C)c1ccc(C#N)cc1 447544703 OXLWSIGKENNDQE-SFHVURJKSA-N 322.383 4.993 30 20 DJED CC1(C#N)CCC(N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC1 449303683 XQCGAKMJEOQCPU-RSWLEGOBSA-N 302.849 4.648 30 20 DJED CC#CCCCC(=O)Nc1ccc(C)cc1OCc1ccccc1 464451414 SJMXBGRJSSIUKY-UHFFFAOYSA-N 321.420 4.706 30 20 DJED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCC1CCCCC1 464940333 KYJAQASITISDNS-VQTJNVASSA-N 324.468 4.645 30 20 DJED Cc1ccc(SC[C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 471600722 DMBRMNWNTJMDOF-JKSUJKDBSA-N 310.466 4.698 30 20 DJED CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)C[C@H](CC#N)c2ccccc2)C1 474897793 OVYNQQCEHFMMCI-BBTUJRGHSA-N 324.468 4.501 30 20 DJED CCC(CC)[C@@H](NC(=O)c1sccc1C#N)c1cccs1 497979879 HCKKKDUFUSDQTB-CQSZACIVSA-N 318.467 4.589 30 20 DJED CCc1ccc(CSCCCC2(C#N)CCOCC2)cc1 507699894 UXHCJQGDADHMRH-UHFFFAOYSA-N 303.471 4.583 30 20 DJED CCCN(C(=O)Nc1ccc(C#N)cc1)[C@H](CC)c1ccccc1 520153465 INCJMWIJYBQWNC-LJQANCHMSA-N 321.424 4.953 30 20 DJED C=CCN(CC=C)C(=O)Nc1ccc2nc(C(C)C)sc2c1 521444854 JQEBQIQKSCZXOC-UHFFFAOYSA-N 315.442 4.626 30 20 DJED C=CCCNc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 545210377 ZUQUMHFMQUTTJV-UHFFFAOYSA-N 318.779 4.719 30 20 DJED CC[C@H](C)n1ncc(N[C@H]2CCc3ccc(C#N)cc32)c1C1CC1 558506102 UFQWPWUYQVIJBT-UGSOOPFHSA-N 320.440 4.703 30 20 DJED Cc1cccc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c1C 561132056 PFNYJIJTQVCULF-IIBYNOLFSA-N 304.437 4.903 30 20 DJED CC(C)c1ccc(C(=O)NCC(C)(C)CCC#N)cc1Cl 561711536 JMAYFSTWMWIUQV-UHFFFAOYSA-N 306.837 4.523 30 20 DJED CC(C)(C)c1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 566649822 OBZVAAOXTWXHCQ-HXUWFJFHSA-N 304.437 4.633 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccc2occc2c1 572763099 CQYVQVWQOASDGX-WOJBJXKFSA-N 316.404 4.705 30 20 DJED C=CCC(C)(C)c1noc(CCCc2c[nH]c3ccccc23)n1 576168396 CZBAWQTWSIZQFL-UHFFFAOYSA-N 309.413 4.580 30 20 DJED CCC[C@H](NC[C@@H](C#N)CCC#N)c1cccc(C(F)(F)F)c1 578740373 FAKMWWNRZMAZFF-CJNGLKHVSA-N 323.362 4.580 30 20 DJED CCO[C@@H](C)c1nc(CSc2cccc(F)c2C#N)cs1 579733857 IQAVBRNFWPLXTN-JTQLQIEISA-N 322.430 4.544 30 20 DJED C[C@@H](Nc1ccc(C(F)(F)F)c(F)c1)c1cccc(C#N)c1 600856005 IWXFKQUFSFZKDH-SNVBAGLBSA-N 308.278 4.889 30 20 DJED Cc1ccc(C[C@@H](C#N)Sc2c(F)cc(F)cc2F)cc1 603938830 KZXRGVZXRVPERF-ZDUSSCGKSA-N 307.340 4.639 30 20 DJED C=CC1CCN(C(=O)N[C@H](c2ccccc2Cl)C(C)C)CC1 604590402 PTOABJPDFSOUJT-KRWDZBQOSA-N 320.864 4.645 30 20 DJED C=CCCCCCN(C)C(=O)Nc1cccc(N(C)C(C)C)c1 606946605 BZTZZNSFOAZKDK-UHFFFAOYSA-N 317.477 4.741 30 20 DJED CCC[C@H](CC1CCCC1)C(=O)N[C@@H](C)c1cccc(C#N)c1 610360765 FRSFHZJUWMRUOQ-HNAYVOBHSA-N 312.457 4.732 30 20 DJED O=C(/C=C/c1cccc(OC(F)(F)F)c1)c1ccc(F)cc1 727972893 KBVGIAFIKIXHBH-RUDMXATFSA-N 310.246 4.620 30 20 DJED O=C1/C(=C\c2ccc(O)cc2)Cc2c1ccc(Cl)c2Cl 729150648 LITKCESYDGMCME-YFHOEESVSA-N 305.160 4.521 30 20 DJED CC(=NNc1ccc(C)nn1)c1cc2c(ccc3ccccc32)o1 729936485 RWYJUSIJLFKEDK-UHFFFAOYSA-N 316.364 4.521 30 20 DJED Cc1cc(/C=C2\Cc3ccccc3C2=O)c(OC(F)F)cc1C 742429423 QIPMKMITJHICDN-XNTDXEJSSA-N 314.331 4.727 30 20 DJED O=C(/C=C/c1cccc2ccccc12)c1ccc2c(c1)COC2 742434282 FBJBVSHSELSWHY-ZHACJKMWSA-N 300.357 4.766 30 20 DJED CC(C)C(Cc1ccc(F)cc1)=NNc1ncccc1Cl 743439491 YOFPRIKTIBCJRM-UHFFFAOYSA-N 305.784 4.541 30 20 DJED CC(C)[C@H](C(=O)OCCC(C)(C)C#N)c1cccc(Cl)c1 776393446 GIVXSJJOIZITTC-HNNXBMFYSA-N 307.821 4.563 30 20 DJED Cc1ccc(C(C)C)cc1OC(=O)CCc1ccc(C#N)cc1 790042787 LPBVBVRWACNSGQ-UHFFFAOYSA-N 307.393 4.528 30 20 DJED c1cncc([C@@H]2CCCC(=NNc3nc4ccccc4s3)C2)c1 799866141 VNDFKMFXSKOQBW-CYBMUJFWSA-N 322.437 4.817 30 20 DJED C[C@@H](C#N)OCCSCc1sc2ccccc2c1Cl 802750018 UYNSVCRTACQBQQ-JTQLQIEISA-N 311.859 4.717 30 20 DJED Cc1oc(C(C)C)cc1C(=O)N(C)c1ccc(C#N)c(Cl)c1 876167912 ADZJTVGNOUNCRZ-UHFFFAOYSA-N 316.788 4.513 30 20 DJED C=CCN(C(=O)c1cc(C)n(C2CCCCC2)c1C)C(C)C 918701388 SNYILLJKZQZYKY-UHFFFAOYSA-N 302.462 4.647 30 20 DJED C=C(C)CN[C@@H](c1ccccc1)c1ccc(Br)cc1 920866230 ZITDLBLNLCYMHL-KRWDZBQOSA-N 316.242 4.704 30 20 DJED Cc1nc(S[C@@H]2CCOc3ccccc32)c(Cl)cc1C#N 1185726715 RTPCDTASNDOWIO-OAHLLOKOSA-N 316.813 4.531 30 20 DJED CC[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cccc(C#N)c1 1307498895 FSRFZDWLCZPOTE-RTWAWAEBSA-N 304.437 4.716 30 20 DJED C=C(Cl)CNCc1cn(Cc2ccccc2)c2ccccc12 1308283084 PPTVRRFXJPWYAJ-UHFFFAOYSA-N 310.828 4.532 30 20 DJED CCC[C@@H]1CCCC[C@@H]1CNC1CC(C#N)(c2ccccc2)C1 1308820196 JYZXZUMVHGQGLD-IGBVOLGGSA-N 310.485 4.806 30 20 DJED C[C@H](C(=O)O[C@H](C)c1cccc(C#N)c1)c1cc2ccccc2o1 1457764486 VUAAWRZYDGRJTO-UONOGXRCSA-N 319.360 4.712 30 20 DJED Cc1nc(NC[C@H]2CCCC[C@@H]2c2ccccc2)ccc1C#N 1458384757 QGCRTTITTFUTIK-RTBURBONSA-N 305.425 4.648 30 20 DJED COc1ccc(C#N)cc1CN(C)C1CC(C)(C)CC(C)(C)C1 1460375857 USCNUMUOSASAGL-UHFFFAOYSA-N 314.473 4.604 30 20 DJED Cc1c(Cl)cccc1-n1ccnc1S[C@H]1CC[C@H](C#N)C1 1472952794 GIHSDWDYUBEPNN-STQMWFEESA-N 317.845 4.619 30 20 DJED CCC[C@H](C)CC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1526993350 RWQOXECDDLWWKS-AWEZNQCLSA-N 323.396 4.510 30 20 DJED CC(C)(C)c1ccc2[nH]c(C(=O)Nc3cccc(C#N)c3)cc2c1 1540364330 JQSXLOUCKZLQNF-UHFFFAOYSA-N 317.392 4.589 30 20 DJED CCCC[C@@H](C(=O)N[C@@H](CCC#N)c1ccccc1)C(C)C 1545081833 CWIBWNJLABGNEV-MSOLQXFVSA-N 300.446 4.610 30 20 DJED N#Cc1ccc(OCc2ccccc2OCc2ccccc2)cc1 1640678973 UNIDLEIHMZMVNO-UHFFFAOYSA-N 315.372 4.716 30 20 DJED COCc1ccccc1/C=C(/C)CNc1cccc(C#N)c1C 1651152088 LYNAVPFIIJUCTD-PTNGSMBKSA-N 306.409 4.529 30 20 DJED CC(C)(C)c1ccc([C@H]2CCCN2c2ncc(C#N)cc2F)cc1 1651395221 LFAOFPCGJZKZGJ-GOSISDBHSA-N 323.415 4.731 30 20 DJED CC(C)(C)c1ccc(C#N)c(N[C@H]2C[C@H](c3ccc(F)cc3)C2)n1 1651899995 ITRUQUJHPASOKC-JCNLHEQBSA-N 323.415 4.748 30 20 DJED Cc1cc(N[C@H]2CCC[C@@H](C)C2)n2c(nc3ccccc32)c1C#N 1654962793 BEJWTVPPSJPUOB-HIFRSBDPSA-N 318.424 4.658 30 20 DJED C[C@H]1C[C@H](N(C)Cc2ccc(C#N)cc2)c2ccsc2S1 1659070169 SYPRAQSICHVUER-LRDDRELGSA-N 314.479 4.677 30 20 DJED Cc1ccc(C#N)cc1NCc1ccc(CSC(F)F)o1 50429922 PXLAAWSZLUFXGN-UHFFFAOYSA-N 308.353 4.528 30 20 DJED Cc1ccc(CN(Cc2ccco2)Cc2ccccc2C#N)s1 59404634 YIRVULYZWXUKFZ-UHFFFAOYSA-N 322.433 4.724 30 20 DJED O=C(/C=C/c1ccc(F)cc1)c1cc(Br)ccc1F 83205268 KBWTUJMLWSRNJE-FPYGCLRLSA-N 323.136 4.623 30 20 DJED CCc1ccccc1C(=O)Nc1ccccc1S[C@H](C)CC#N 125118511 ZTUFOKBMDCCAKL-CQSZACIVSA-N 324.449 4.896 30 20 DJED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 131830588 YTDPZZPXQXDQQY-FQEVSTJZSA-N 322.452 4.990 30 20 DJED N#Cc1ccccc1CN[C@@H](Cc1ccccc1)c1cccs1 179092011 FMBROLBCUVMKFQ-IBGZPJMESA-N 318.445 4.693 30 20 DJED C=C(C)CN(C)C(=O)Nc1cccc(COc2ccccc2)c1C 181774665 LCKYRCVWYIYQNE-UHFFFAOYSA-N 324.424 4.614 30 20 DJED CCCCCCCCCCCC(=O)N1CC[C@H](O)C(C)(C)C1 320000468 QLVJNLDYIRXJKV-KRWDZBQOSA-N 311.510 4.527 30 20 DJED CSCc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1 355616700 CHAOGKUASKLWGI-QGZVFWFLSA-N 324.449 4.576 30 20 DJED N#CCC[C@H](N[C@H]1CCc2ccc(Cl)cc21)c1ccccc1 358343684 SYRGEFASFBBAAE-OALUTQOASA-N 310.828 4.962 30 20 DJED C=CC[C@H](CC)NC(=O)c1ccccc1SCC=C(C)C 466531513 QPLWHQLNFBLRNA-HNNXBMFYSA-N 303.471 4.829 30 20 DJED C=CCCN(C)C(=O)c1csc(-c2ccc(C(C)C)cc2)n1 468184390 VQBKCQGGKXMJBX-UHFFFAOYSA-N 314.454 4.582 30 20 DJED C=C[C@H](CC(=O)Nc1cc(OC)c(C)cc1C)c1ccccc1 478574288 SMYSAFJEIOYOBD-MRXNPFEDSA-N 309.409 4.610 30 20 DJED C=CCCCC(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 479569813 TXVSKALJZPSKGW-IBGZPJMESA-N 321.420 4.650 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 480588645 KCEIVAMEUSOOBS-VQIMIIECSA-N 322.383 4.648 30 20 DJED Cc1ccc(C[C@@H](C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 484739566 SIMVRYQDGAADHA-MRXNPFEDSA-N 320.436 4.614 30 20 DJED N#CC1(CN2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)CC1 501528175 ONOKTCCVCNNIJC-LJQANCHMSA-N 322.839 4.743 30 20 DJED CC(C)c1ccc([C@@H](C)CC(=O)N(C)c2ccccc2C#N)cc1 508087797 MGQNBVHJCJHRPR-INIZCTEOSA-N 320.436 4.838 30 20 DJED C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)c1cccnc1 510180385 LLWNATJUGLHCEY-AWEZNQCLSA-N 317.417 4.869 30 20 DJED C=CCSCc1csc(-c2ccc(OCC)c(OC)c2)n1 524458534 JNJLYRRDGKVAMS-UHFFFAOYSA-N 321.467 4.637 30 20 DJED C=CCCSc1nnc(-c2ccncc2)n1C1CCCCC1 532272347 PJUIWSMDJSXNNX-UHFFFAOYSA-N 314.458 4.514 30 20 DJED C=CCCC[C@H](C)NC(=O)Nc1ccc(CC(F)(F)F)cc1 537251711 URWJHVLBXXBFOV-LBPRGKRZSA-N 314.351 4.658 30 20 DJED CC[C@@H](Cc1ccc(Cl)cc1Cl)NCc1ccc(C#N)o1 537297879 GAVXUEOGSFZHCY-ZDUSSCGKSA-N 323.223 4.569 30 20 DJED C[C@@H](NCc1cccc(C#N)c1F)c1ccccc1C(F)(F)F 539344188 WTNKIMFGDZLLBV-LLVKDONJSA-N 322.305 4.567 30 20 DJED N#CCC1CCN(C(=O)Nc2ccccc2-c2ccccc2)CC1 542901290 DYEDDEIUFSHGRR-UHFFFAOYSA-N 319.408 4.511 30 20 DJED N#CCc1ccc(CN(Cc2ccco2)Cc2cccs2)cc1 543138863 MDAWDOCFHMWLDB-UHFFFAOYSA-N 322.433 4.610 30 20 DJED N#CC1(CC(=O)N2CCC[C@@H]2/C=C\c2ccccc2)CCCCC1 597489508 SCPVKSCBHAACMM-YAINUAMHSA-N 322.452 4.555 30 20 DJED C[C@@H](Nc1ccnc2cc(Cl)ccc12)c1cccc(C#N)c1 610340248 GXBZRDYCPLDVKC-GFCCVEGCSA-N 307.784 4.933 30 20 DJED CCCCC1CCC(C(=O)N[C@H](C)c2cccc(C#N)c2)CC1 610363963 JZHITMKYELRQMR-KLHKWILBSA-N 312.457 4.732 30 20 DJED Cc1cccc2sc(C(=O)N[C@H](C#N)C(C)(C)C)c(Cl)c12 610659658 CGFBFHBXMHMYEE-LLVKDONJSA-N 320.845 4.531 30 20 DJED C=C(C)[C@@H](Nc1ncc(Cl)s1)c1ccc(F)c(F)c1 681238589 CKZWULSJRAEHQK-GFCCVEGCSA-N 300.761 4.804 30 20 DJED CCCCCC[C@H](C)CC(=O)N[C@H](C)c1ccc(C#N)cc1 727663982 MDGMIXVJEIUKSA-JKSUJKDBSA-N 300.446 4.732 30 20 DJED COc1cc(C(=O)/C=C\c2ccc(C)c(F)c2)ccc1SC 731489692 JLEDAPXEIMGBCG-VURMDHGXSA-N 316.397 4.761 30 20 DJED COc1ccc(OC(F)F)c(/C=C/C(=O)c2sccc2C)c1 733748590 CYRYIXKRVYTIOT-HWKANZROSA-N 324.348 4.563 30 20 DJED CC(C)(C)c1ncc(/C=C\C(=O)c2cccc(Cl)c2)s1 736433284 QPMNHDWPJUMTSD-FPLPWBNLSA-N 305.830 4.990 30 20 DJED CCCCCCCCOCC(=O)N1C[C@H](C)[C@H]1c1ccccc1 742897146 GHKMMSDXHFVAFD-PXNSSMCTSA-N 317.473 4.583 30 20 DJED CC(C)n1cc(C(=O)/C=C/c2ccc(-c3ccccc3F)o2)cn1 746687200 RLTUIONCLDQWRQ-VQHVLOKHSA-N 324.355 4.759 30 20 DJED N#Cc1csc(/C=C2/CSc3ccc(Cl)cc3C2=O)c1 748441292 WWCLTKUZVBLFBB-WMZJFQQLSA-N 317.822 4.645 30 20 DJED Cc1ccc(-c2nc(/C=C/C(=O)c3cccc(C)c3)co2)cc1 749887864 ZGRWQUZYIVYKSK-ZHACJKMWSA-N 303.361 4.855 30 20 DJED N#Cc1ccccc1/C=C1/CCC/C(=C/c2ccccc2C#N)C1=O 755569689 JQASKJJTBYKCSE-BKHHGCLFSA-N 324.383 4.650 30 20 DJED C#CC[C@H](NCc1cc(F)cc(C(F)(F)F)c1)c1ccccc1 756997528 WMLPQBJLBMBTCX-KRWDZBQOSA-N 321.317 4.699 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccc(F)cc2C(F)(F)F)cc1 771839556 WVUQJMFTNJVXEL-VURMDHGXSA-N 319.257 4.612 30 20 DJED CC[C@H](Nc1cc2c(cc1Cl)OCO2)c1ccc(C#N)cc1 774304753 YDOLZPFKBIPXLF-AWEZNQCLSA-N 314.772 4.504 30 20 DJED C[C@H](NCCCC1CCCCC1)c1ccc(OCC#N)cc1 776153263 AUBMXIYZSXUAPS-INIZCTEOSA-N 300.446 4.600 30 20 DJED C#CCCCCCC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 779883655 YQPLAPOGKQGTJU-UHFFFAOYSA-N 324.251 4.682 30 20 DJED C[C@H](OC(=O)c1c(Cl)cccc1Cl)c1cccc(C#N)c1 782022031 OWDAPVSFSCXOKN-JTQLQIEISA-N 320.175 4.783 30 20 DJED C=CCCCCC[C@@H](C)Nc1cccc2c1CCN2C(C)=O 793554027 PJCVBTXYQVBRLZ-OAHLLOKOSA-N 300.446 4.533 30 20 DJED N#CC[C@H](CC(=O)OCc1cc2ccccc2o1)c1ccccc1 795983902 QMXYZPJUKBLVNI-MRXNPFEDSA-N 319.360 4.564 30 20 DJED C[C@H]1/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)c2ccccc21 809155678 CXBFGQNBEJVEMJ-ZOWLKQDUSA-N 305.333 4.534 30 20 DJED C#CC1CCN(C(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 831047310 OSAMXOHRBYBKKM-UHFFFAOYSA-N 312.457 4.811 30 20 DJED FC(F)(F)c1cccc(NN=C2CSCc3ccccc32)c1 915938889 FWHRTAMTCDCYAG-UHFFFAOYSA-N 322.355 4.768 30 20 DJED CCOc1cc(/C=C\C(=O)c2ccc(C)cc2C)ccc1OC 916155912 MDPVMFAKYXBTIQ-YFHOEESVSA-N 310.393 4.607 30 20 DJED CC(=NNc1ncc(Cl)cc1Cl)c1cc(F)ccc1F 916316877 OJJGTLTWPRXSCD-UHFFFAOYSA-N 316.138 4.503 30 20 DJED CC(C)(C)Sc1ccc(NC(=O)C2(C#N)CCCC2)cc1F 1129235635 NFUUTPBYVNUVLE-UHFFFAOYSA-N 320.433 4.739 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)c1cc2ccccc2o1 1129796225 PYCBDVAKBGEFMK-UHFFFAOYSA-N 312.328 4.710 30 20 DJED CC1(CC(=O)N(c2ccc(C#N)cc2)C2CCC2)CCCCC1 1131579202 WYNXYGQIUOWNBW-UHFFFAOYSA-N 310.441 4.804 30 20 DJED CC[C@H](c1ccccc1)N1CCC(c2ccc(C#N)cc2)CC1 1176578386 NDEBRHITZUHTSB-OAQYLSRUSA-N 304.437 4.889 30 20 DJED CSc1ccc([C@H](C)Nc2ccc(OCC#N)cc2)cc1F 1254228221 HNIZZMWRAMZGML-LBPRGKRZSA-N 316.401 4.623 30 20 DJED C[C@@H]1CC[C@@H](C(F)(F)F)CN1CCCCC1(C#N)CCC1 1262242229 WECRPYJMEWSWNW-ZIAGYGMSSA-N 302.384 4.513 30 20 DJED CC(C)c1cccc(C(=O)Nc2sc3c(c2C#N)CCCC3)c1 1264196153 RBVWHKGOSQVKGS-UHFFFAOYSA-N 324.449 4.874 30 20 DJED Cc1ccc(C#N)c(N[C@@H]2CCCc3ccc(C(C)C)cc32)n1 1458311349 UPCBWNARIJFIDJ-LJQANCHMSA-N 305.425 4.875 30 20 DJED CC(=O)[C@H](Cc1ccccc1)Sc1ccc(C#N)cc1Cl 1458990953 BFLCKVPTZVUXRE-KRWDZBQOSA-N 315.825 4.504 30 20 DJED C=C(CNC(=O)C[C@H](C)c1ccc(CC)cc1)c1ccccc1 1460680719 KYYAGQARKKTFMV-INIZCTEOSA-N 307.437 4.572 30 20 DJED N#Cc1cc(Cl)ccc1NC(=O)CC/C=C/c1ccccc1 1461552014 SOCHBWIDFRDOBH-XBXARRHUSA-N 310.784 4.644 30 20 DJED CC(C)CC[C@H]1CCCCN1C(=O)Nc1ccc(F)c(C#N)c1 1465518814 MWFVHNTWLADRQI-MRXNPFEDSA-N 317.408 4.520 30 20 DJED CCc1nsc(Nc2ccc(Oc3cccc(C#N)c3)cc2)n1 1472690542 ASLSDZUFDFLYEG-UHFFFAOYSA-N 322.393 4.508 30 20 DJED N#CCc1cccc(NC(=O)c2ccc(-c3cccs3)s2)c1 1587608776 AMBXYSKFNAQLOI-UHFFFAOYSA-N 324.430 4.795 30 20 DJED CC(C)(CNc1cccc(C#N)n1)c1c(Cl)cccc1Cl 1611950528 PYACZKADHDTWAL-UHFFFAOYSA-N 320.223 4.650 30 20 DJED N#Cc1ccccc1-c1ccc(CN2[C@H]3CCC[C@H]2CC3)cc1 1615817549 BWVMWQFPLSLXGU-PMACEKPBSA-N 302.421 4.742 30 20 DJED CCN(Cc1c(Cl)cccc1SC(C)C)C[C@@H](C)C#N 1621183857 UYEDABNBQHUSSM-ZDUSSCGKSA-N 310.894 4.822 30 20 DJED CC1(C)C[C@H](Nc2cccc(F)c2C#N)c2cc(F)ccc2O1 1640116345 KPUGAZWBVGGLLZ-INIZCTEOSA-N 314.335 4.551 30 20 DJED CC(C)c1csc(S[C@H](C#N)CCc2ccccc2)n1 1641252624 ONBZKSWMPXNBQY-AWEZNQCLSA-N 302.468 4.884 30 20 DJED N#CCC1(CSc2ncc(-c3ccc(Cl)cc3)[nH]2)CC1 1644286768 RDLQAQPKTLQXGM-UHFFFAOYSA-N 303.818 4.516 30 20 DJED C[C@@H]1N(Cc2ccc(C#N)cc2Cl)c2ccccc2C1(C)C 1647755174 VYTKNXMJSOYTMX-ZDUSSCGKSA-N 310.828 4.898 30 20 DJED C[C@@H](CCc1ccccc1)Nc1nc(C(C)(C)C)ccc1C#N 1651303502 TWLAZCNDMWFTTJ-HNNXBMFYSA-N 307.441 4.684 30 20 DJED C[C@H]1CC(C)(C)CN1Cc1ccc(-c2ccccc2C#N)cc1 1653910100 VDRFNMYIDVKFIM-INIZCTEOSA-N 304.437 4.846 30 20 DJED COc1cc(CNc2cc(C#N)ccc2C)cc(C(F)(F)F)c1 1656390224 DIDWWHDXBSSCLE-UHFFFAOYSA-N 320.314 4.506 30 20 DJED C=C(CNC(=O)Nc1ccccc1C(C)(F)F)c1ccccc1 1677689632 PTBBQTSDLHQMEP-UHFFFAOYSA-N 316.351 4.633 30 20 DJED CC(C)CC[C@@H](NC(=O)Nc1sccc1C#N)C(C)(C)C 1678963333 SXMMKHKVRYRLPW-CYBMUJFWSA-N 307.463 4.592 30 20 DJED CC[C@H](C)c1ccc(C(=O)/C=C\c2cc(C(=O)O)cs2)cc1 1776699953 JTURPIUHKOMHCA-LAUAKBEESA-N 314.406 4.856 30 20 DJED O=C(O)/C=C/c1ccc(/C=C\C(=O)c2ccc(C3CC3)cc2)cc1 1777623833 BIKMJENJWZKKIL-FUJGBLOQSA-N 318.372 4.558 30 20 DJED C=CCN(CC=C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1752456 NSRFAQWRGLDQLS-UHFFFAOYSA-N 318.726 4.565 30 20 DJED C[C@@H](NC(=O)Nc1ccccc1C(C)(C)C)c1ccc(C#N)cc1 43314169 GBOCUVLIKOTXQM-CQSZACIVSA-N 321.424 4.738 30 20 DJED C=CCN(C(=O)CCSc1ccccc1F)c1ccccc1 58642307 WGDXEVOECCOXFF-UHFFFAOYSA-N 315.413 4.527 30 20 DJED CCCCC[C@H](C(=O)Nc1ccc(F)cc1OCC#N)C(C)C 120165426 QLGSCDZSYIIHBS-HNNXBMFYSA-N 320.408 4.519 30 20 DJED C=CCN(C)C(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C 157313927 GDUXFBNAVJUHLG-MRXNPFEDSA-N 324.424 4.785 30 20 DJED O=C(/C=C\c1cccc(O)c1)c1ccc2c3c(cccc13)CC2 212109318 CIEFGKMHBSKIJC-GHXNOFRVSA-N 300.357 4.540 30 20 DJED N#C[C@@H]1CCC[C@@H](N[C@H](c2ccccc2)c2cccc(F)c2)C1 249038850 UEPKTYMUKMWSKN-CDHQVMDDSA-N 308.400 4.587 30 20 DJED CCOc1ccccc1CNc1ccc(C#N)cc1C(F)(F)F 319664078 HAGZJJRGOCTVOL-UHFFFAOYSA-N 320.314 4.588 30 20 DJED C=CC[C@@H](C(=O)NC1CC(C)(c2ccccc2)C1)c1ccccc1 410081778 JKCOOOONWMHULN-SNCIUUNGSA-N 319.448 4.583 30 20 DJED N#CC1(CCCN2CCC[C@H]2CC2CCCCC2)CCOCC1 410342111 ZVLCQQJGDUVAQF-IBGZPJMESA-N 318.505 4.522 30 20 DJED Cc1c(C#N)cccc1NC(=O)[C@H](C)c1ccc2ccccc2c1 432316792 ALTMGLSNHXYOPJ-OAHLLOKOSA-N 314.388 4.762 30 20 DJED Cc1ccc([C@@H](C)c2noc([C@@H](C)c3cccc(C#N)c3)n2)cc1 463044703 UAZAXLKCWXVSGL-CABCVRRESA-N 317.392 4.553 30 20 DJED N#C[C@@H]1CCC[C@H](Nc2cc(F)ccc2SCC(F)F)C1 463286497 HBEWZPGKDLHXFW-PWSUYJOCSA-N 314.376 4.677 30 20 DJED N#Cc1cc(F)ccc1NC(=O)c1ccc(C2CCCC2)cc1 464277336 QRRGPNVEZRLNIC-UHFFFAOYSA-N 308.356 4.607 30 20 DJED C[C@@H](c1ccccc1)N(CCCSCC#N)c1ccccc1 468507180 SFWXDOQENKKRMB-KRWDZBQOSA-N 310.466 4.901 30 20 DJED C=CC[C@H]1N(C(=O)c2ccc(C(F)F)cc2)CCCC1(C)C 470308033 KYENZZVZTANXGT-OAHLLOKOSA-N 307.384 4.831 30 20 DJED N#Cc1ccc(/C=C/c2ccc(-c3cccc(F)c3F)o2)nc1 478918862 YXUCGSAGOXINDF-VOTSOKGWSA-N 308.287 4.662 30 20 DJED N#Cc1cc(Cl)ccc1CN[C@H](c1ccccc1)C1CCC1 480739932 UEOGLGUFSBKJEP-LJQANCHMSA-N 310.828 4.843 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@@H]2NC1(c2ccccc2F)CC1 481998144 HWAUMSCKZKANBY-FQEVSTJZSA-N 320.411 4.744 30 20 DJED C=C(C)[C@H](NC(=O)N1[C@@H](C)CC[C@H]1CC)c1ccc(F)c(F)c1 483317623 YMSMVKWARHZYJI-QEORTHHSSA-N 322.399 4.555 30 20 DJED Cc1ccccc1[C@@H](C)CC(=O)Nc1ccc(C#N)cc1Cl 494638777 WRWICFWNGWQJNA-ZDUSSCGKSA-N 312.800 4.652 30 20 DJED C[C@@H](SCCOc1ccc(C#N)cc1)c1ccccc1F 507813134 IMTDIHZQWCTMBV-CYBMUJFWSA-N 301.386 4.571 30 20 DJED Cc1cc(C)cc([C@@H](C)Nc2nc(C(F)(F)F)ccc2C#N)c1 523755262 FIPIENIYYWUTAK-GFCCVEGCSA-N 319.330 4.762 30 20 DJED CC(C)N(CCC#N)Cc1csc(-c2ccc(Cl)cc2)n1 556812080 QIVIVTKJHDIVOQ-UHFFFAOYSA-N 319.861 4.588 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@H](C(F)(F)F)C1 557517895 SJOFKMHILLLFKV-UXLLHSPISA-N 322.374 4.646 30 20 DJED CC(C)(CCC#N)CNCc1ccc(-c2cccc(F)c2F)o1 584552526 GOUUTLJRDLHVNG-UHFFFAOYSA-N 318.367 4.644 30 20 DJED CC(=C/c1ccccc1)/C=C/C(=O)c1cc([N+](=O)[O-])ccc1C 739425350 OTSJMGNKFOBKJX-FENWIEIGSA-N 307.349 4.746 30 20 DJED C[C@H](C/N=C/c1cc2ccccc2nc1O)Sc1ccccc1 743044902 TXSHATKCFHYLQZ-GNUZOCDUSA-N 322.433 4.540 30 20 DJED C[C@H](/N=C/c1c(O)ccc2ccccc12)c1cccc(C#N)c1 743501245 HFWHHDKFOVCKJM-KOUDTOEKSA-N 300.361 4.597 30 20 DJED CC[C@H](C)Oc1cccc(NCc2ccc(O[C@@H](C)C#N)cc2)c1 747099044 IEXAQJFYYVXKMW-HOTGVXAUSA-N 324.424 4.767 30 20 DJED O=C(/C=C\c1cccc(-c2ccccn2)c1)c1ccccc1F 747697382 APPYYAOFUVFMFF-QXMHVHEDSA-N 303.336 4.784 30 20 DJED COc1cc(C)c(/C=C\C(=O)c2cc3ccccc3o2)cc1OC 751512737 KFPYYHSUVUDNSJ-HJWRWDBZSA-N 322.360 4.655 30 20 DJED C=CC[C@H](NC(=O)[C@@H](CC)C1CCC(C)CC1)c1ccncc1 763481481 WKILAGWBCXSVBQ-VHZYLWGESA-N 314.473 4.668 30 20 DJED CCc1cnccc1C(=O)/C=C/c1cccc(-c2cccnc2)c1 776193468 ZFTGMPLAVGRNNW-CMDGGOBGSA-N 314.388 4.602 30 20 DJED C=C(Cl)COc1ccc([C@H](C)Nc2cnn(CCC)c2)cc1 777198995 LUMAAWNMZAUWLB-AWEZNQCLSA-N 319.836 4.598 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)/C(C)=C/c1cccc(Cl)c1 787944934 RPLWIPBPQRSIKT-WYMLVPIESA-N 318.848 4.674 30 20 DJED Clc1cc(Cl)c(NN=C2CCC23CCC3)nc1Cl 799869718 IBHNEWDQIYOGDL-UHFFFAOYSA-N 304.608 4.774 30 20 DJED C=CC[C@H](N[C@H](C)c1cc(Cl)cc(C)c1O)c1ccncc1 808695794 KIIOYAVWLXEWOC-DYVFJYSZSA-N 316.832 4.717 30 20 DJED O=C(/C=C/c1ccc(C(F)F)cc1)c1cc([N+](=O)[O-])ccc1F 814192109 YATKAEZVOALFMN-FPYGCLRLSA-N 321.254 4.568 30 20 DJED C#CCCCc1nc(C(C)(C)c2cccc3ccccc23)no1 815703045 QZIVYTKXNKEANW-UHFFFAOYSA-N 304.393 4.505 30 20 DJED Clc1cc(NN=C2CCC[C@@H]2c2ccccn2)cc(Cl)n1 819828474 FFCCVWSKWJYJFZ-LLVKDONJSA-N 321.211 4.519 30 20 DJED Cc1cc(/C=C/C(=O)c2ccccc2C(F)(F)F)cc(C)c1O 916135953 ALHNVSHDWHSVAP-BQYQJAHWSA-N 320.310 4.924 30 20 DJED CCC(=NNc1cccc(F)c1)c1ccc(OC(F)F)cc1 920384133 PQHRCMJKCGVVHW-UHFFFAOYSA-N 308.303 4.653 30 20 DJED CCOc1ccc(N=Cc2cc(Cl)ccc2O)cc1OCC 920942196 QNYUXZTXHYHYDU-UHFFFAOYSA-N 319.788 4.594 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)CCCc1ccccc1Cl 1171400232 VGDJYTMPTOUVIQ-OAHLLOKOSA-N 312.844 4.837 30 20 DJED CCC[C@@H](C(=O)Nc1sccc1C#N)c1cccc(Cl)c1 1264107724 CQBUICOQIQWMGM-CQSZACIVSA-N 318.829 4.796 30 20 DJED CC(C)(C#N)c1ccccc1COc1cccc(Cl)c1F 1307331478 MAMUJZDABWBOTN-UHFFFAOYSA-N 303.764 4.859 30 20 DJED CCc1ccc([C@H](N[C@@H]2CC[C@H](C#N)C2)c2cccc(F)c2)cc1 1325159851 SUIKOCLCKQZMME-DQLDELGASA-N 322.427 4.759 30 20 DJED CC(C)c1cnc(SCc2cc(F)ccc2C#N)n1C1CC1 1458953998 HXYSUHJNVPHLBI-UHFFFAOYSA-N 315.417 4.644 30 20 DJED N#C[C@H]1CC[C@@H](NCc2ccc(-c3cccc(Cl)c3)s2)C1 1461591234 KGXREMGWIVCGNN-SWLSCSKDSA-N 316.857 4.850 30 20 DJED CC[C@@H]1CN(Cc2ccc(C#N)cc2F)CC[C@@H]1c1ccccc1 1461879465 FBPOUSCJHKRJNW-XLIONFOSSA-N 322.427 4.713 30 20 DJED Cc1ccc(CNc2c(Br)cccc2C#N)c(C)c1 1472662338 MYUWYWRMPZSWLP-UHFFFAOYSA-N 315.214 4.550 30 20 DJED N#CC1(CC(=O)N2CCC[C@H]2CCC2CCCC2)CCCCC1 1517726270 GLXQFZPEUXCPPV-SFHVURJKSA-N 316.489 4.812 30 20 DJED CC(C)(C)n1cc(C#N)cc1NC(=O)CCCC1CCCCC1 1534572065 YZGHUKQPPFEQCM-UHFFFAOYSA-N 315.461 4.804 30 20 DJED Cc1cc(N(C)Cc2ccccc2-c2ccccc2)ncc1C#N 1559090401 XPYIQYVVACSVGE-UHFFFAOYSA-N 313.404 4.565 30 20 DJED CCc1ccc(C(C)(C)NCc2ccc(Cl)cc2C#N)cc1 1559695886 KCNZPANQKWENAK-UHFFFAOYSA-N 312.844 4.799 30 20 DJED COc1ccc(CNc2cc(F)cc(C#N)c2)cc1C(C)(C)C 1560558617 CZKABHXXNFBFPM-UHFFFAOYSA-N 312.388 4.616 30 20 DJED CC(C)CN(Cc1csc(C2CC2)n1)c1ccc(C#N)cc1 1644856195 YJGVWVONNRCWCS-UHFFFAOYSA-N 311.454 4.555 30 20 DJED CC[C@H](CN(Cc1ccc(C#N)cc1)C1CC1)c1ccccc1 1652011800 HVYCTGGKWOHOJD-LJQANCHMSA-N 304.437 4.716 30 20 DJED Cc1cc(CN(CCC#N)CCC(C)C)ccc1C(F)(F)F 1658348302 PLDLVNRZKJXSCC-UHFFFAOYSA-N 312.379 4.776 30 20 DJED C[C@@H](CC(C)(C)c1ccccc1)NCc1cc(C#N)ccc1F 1660710032 XXNUGXQVSUTIFF-HNNXBMFYSA-N 310.416 4.543 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)CCCc2cccs2)cc1 29151804 IFACOVMOWRYSTC-UHFFFAOYSA-N 312.438 4.511 30 20 DJED CC(C)c1cccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 43551284 ZMNQGPCPOIVAPQ-AWEZNQCLSA-N 307.397 4.564 30 20 DJED C=C(C)CN(CC)CC(=O)Nc1c(C(C)C)cccc1C(C)C 48617356 AMTSEIIOTWOYTD-UHFFFAOYSA-N 316.489 4.770 30 20 DJED Cc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)s1 66801175 ZBJKHCFHZVMEHJ-GFCCVEGCSA-N 316.451 4.703 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCCc3sccc32)cc1 137448677 MVOXYHHDIUKFCD-MRXNPFEDSA-N 324.449 4.608 30 20 DJED CCCn1nc(C)c(/C=C/C(=O)c2ccccc2SC)c1C 194594473 OGGLTBHUMDFCAK-ZHACJKMWSA-N 314.454 4.528 30 20 DJED O=C(/C=C\c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 210442801 GCAMNDUFFSLUIJ-QXMHVHEDSA-N 303.317 4.644 30 20 DJED C[C@H]1CCC[C@@H]1CC(=O)Nc1ccccc1SC[C@H](C)C#N 249023797 REAFNBPDCVWUKK-QLFBSQMISA-N 316.470 4.703 30 20 DJED CC(C)(C#N)CCCC[S@@](=O)[C@H]1CCc2c(Cl)cccc21 277942287 QOBVJGACDBZPSJ-HRAATJIYSA-N 323.889 4.796 30 20 DJED C=CC[C@@H](CC)NC(=O)c1ccc(C2SCCCS2)cc1 281544879 YPNCDYMZEIDEDL-OAHLLOKOSA-N 321.511 4.640 30 20 DJED C=CCC(C)(C)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 292728692 JAEFCANDSZCYGF-UHFFFAOYSA-N 316.445 4.520 30 20 DJED Cc1ccc([C@@H]2CCCN2c2c(C#N)cnc3ccccc23)s1 301413223 ZIEZDYGGDSVDFP-KRWDZBQOSA-N 319.433 4.818 30 20 DJED C[C@H](Nc1cc(C(F)(F)F)ccc1F)c1cccc(C#N)c1 315745502 QTJMNAOSSZNAFT-JTQLQIEISA-N 308.278 4.889 30 20 DJED C=C[C@H](CC(=O)NCC[C@H](C)c1ccccc1)c1ccccc1 410217889 VQBZVYPWSOUSOD-ZWKOTPCHSA-N 307.437 4.656 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C 467964249 JIWYQSIUMYVDJE-OXJNMPFZSA-N 314.473 4.915 30 20 DJED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)Cc1cccc(C#N)c1 477695493 BGFCNUBXCHLZJG-CYBMUJFWSA-N 318.342 4.770 30 20 DJED C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccc(C#N)cc1 481654359 VETVHJOXDAVXAZ-BTYIYWSLSA-N 315.420 4.548 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc(Cl)cc1 481932542 NHISWFFAXJGDHG-IBGZPJMESA-N 310.828 4.769 30 20 DJED C=CCC[C@@H](NC(=O)N(C)C1CCCCC1)c1ccccc1 486080043 NINXZWFHMOFGRE-GOSISDBHSA-N 300.446 4.668 30 20 DJED N#Cc1ccc(NC(=O)c2cccc(OC3CCCCC3)c2)cc1 524249648 UVNPOMNFIZDDOM-UHFFFAOYSA-N 320.392 4.522 30 20 DJED Cc1cnc([C@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)o1 537772365 SBABZTZTJJVDHD-AWEZNQCLSA-N 319.364 4.820 30 20 DJED C=CC[C@@H](C)[C@H](C)NCC1(c2ccc(Cl)cc2)CCOCC1 540191175 LYZHQBXISZIXPA-CVEARBPZSA-N 321.892 4.579 30 20 DJED N#CCc1ccc(CSCc2cc(-c3ccccc3)no2)cc1 543152867 MEKLAIYUMYWPAY-UHFFFAOYSA-N 320.417 4.841 30 20 DJED C=CCCC[C@H](C)NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 553192761 OKRCJHSLELWNBA-XJKSGUPXSA-N 306.837 4.541 30 20 DJED C=C(CC)CSCC(=O)Nc1c(Cl)cccc1Cl 557305853 KAUBKHRSWJPHPQ-UHFFFAOYSA-N 304.242 4.631 30 20 DJED N#Cc1csc(CNCc2ccc(C3CCCCC3)cc2)c1 560542719 ILLJDLQUWLTWIM-UHFFFAOYSA-N 310.466 4.957 30 20 DJED C[C@H](NCC(C)(C)CCC#N)[C@H](C)c1nc2ccccc2s1 562047529 LAHHBJGFSWWJLX-KBPBESRZSA-N 315.486 4.708 30 20 DJED Cc1csc(NC(=O)[C@@H](C)CCCc2ccccc2)c1C#N 568558796 GBSDOQVDWVTKKX-ZDUSSCGKSA-N 312.438 4.526 30 20 DJED CC(C)(C#N)CCSCc1nc(-c2ccc(Cl)cc2)no1 578395220 WJMRCKMVCUYDEB-UHFFFAOYSA-N 321.833 4.563 30 20 DJED N#CC1(CC(=O)Nc2cccnc2-c2ccccc2)CCCCC1 597439696 CZWULKJJTSNWFQ-UHFFFAOYSA-N 319.408 4.551 30 20 DJED Cc1sc(NC(=O)C[C@H](C)c2cccc(F)c2)c(C#N)c1C 609692944 IZJWXDBAAWAIFR-JTQLQIEISA-N 316.401 4.508 30 20 DJED CCC[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccccn1 619508336 XQWGRWWTPASEBQ-FPOVZHCZSA-N 319.452 4.852 30 20 DJED CC(=NNc1ccc(OCC(F)(F)F)cc1)c1ccsc1 727257987 NOEGKGILQGQIHL-UHFFFAOYSA-N 314.332 4.525 30 20 DJED CC(C)(CCCc1ccccc1)C(=O)Oc1ccc(C#N)cc1 732930387 NHCRJSIIHISPGO-UHFFFAOYSA-N 307.393 4.513 30 20 DJED CCC(=NNc1cnnc2ccccc12)c1ccc(Cl)cc1 733750436 ZEIPVIPVFUMWEH-UHFFFAOYSA-N 310.788 4.509 30 20 DJED N#Cc1ccc(-c2cccc(CNCc3cccs3)c2)s1 740012114 WUHMNOMCHPDBRZ-UHFFFAOYSA-N 310.447 4.638 30 20 DJED COc1ccc(/C=C2/Cc3cc(Cl)ccc3C2=O)cc1Cl 742437799 RIIVVCVBOFRIPQ-SDQBBNPISA-N 319.187 4.824 30 20 DJED O=C(/C=C/c1cc2ccccc2o1)c1c[nH]c2cc(F)ccc12 750908328 FJAYEUULTAKJEU-SOFGYWHQSA-N 305.308 4.949 30 20 DJED N#Cc1ccc(OCCCSCCCCC(F)(F)F)cc1 752809306 OLFQYGLYTAOFCJ-UHFFFAOYSA-N 317.376 4.793 30 20 DJED O=C(/C=C/c1cccc(-n2cccn2)c1)c1cc2ccccc2o1 760266079 YWAGAXLOAASJMM-MDZDMXLPSA-N 314.344 4.515 30 20 DJED FC(F)(F)CON=C1CCCSc2ccc(Cl)cc21 764833771 AGVWHUCSQJRUBR-UHFFFAOYSA-N 309.740 4.509 30 20 DJED COc1ccc([C@@H](CCC(C)C)NCc2ccc(C#N)cc2)cc1 765012834 PLHUTCFDZSNUBS-OAQYLSRUSA-N 322.452 4.834 30 20 DJED CCCCCCCC[C@@H](C)CC(=O)N1CCC2(CCOCC2)C1 774820274 UWEKYYRPJJAAKX-GOSISDBHSA-N 323.521 4.792 30 20 DJED CCCCCCCC[C@@H](C)CC(=O)N1CCC[C@@H]1c1ncc[nH]1 777452962 JIZFBINBGHYBBM-IAGOWNOFSA-N 319.493 4.850 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCc1ccc2c(c1)COC2 777936099 YOBJFDXGDQAAFZ-CQSZACIVSA-N 324.449 4.723 30 20 DJED O=C1/C(=C/c2scnc2C2CC2)CSc2ccc(F)cc21 782305008 FKNSZTFMMNEBMC-BJMVGYQFSA-N 317.410 4.532 30 20 DJED CC(=NNc1ccc(Cl)c(F)c1)c1cnn(C(C)(C)C)c1C 787158781 YFLZWHJHOSHJDB-UHFFFAOYSA-N 322.815 4.575 30 20 DJED CC[C@H](C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 791773179 JJBCFRYQVTZCLU-SWLSCSKDSA-N 312.438 4.731 30 20 DJED O=C1/C(=C\c2ccc(-c3ccccc3F)o2)Cc2c(O)cccc21 810251290 QDRILGLBAKDCJQ-BENRWUELSA-N 320.319 4.614 30 20 DJED C[C@H](C#N)Oc1ccc(CN[C@H]2CCCCC23CCCC3)cc1 812781069 ZNALHCLEMCEBRO-APWZRJJASA-N 312.457 4.570 30 20 DJED CC[C@@H](Nc1ccc(OC)c(SC)c1)c1ccc(C#N)cc1 840774005 KQZWEFINRGARGL-MRXNPFEDSA-N 312.438 4.852 30 20 DJED N#C[C@H](C(=O)C1CC2(CCC2)C1)c1nc(-c2ccccc2)cs1 842688367 FOTZBLASNPFJLQ-OAHLLOKOSA-N 322.433 4.567 30 20 DJED C=C1CCC(C(=O)Nc2ccccc2-c2csc(C)n2)CC1 890338276 NGNFCXJEAAIYAG-UHFFFAOYSA-N 312.438 4.803 30 20 DJED CCc1ccc(C=NOCc2cc(-c3ccc(F)cc3)no2)cc1 915213046 JOOSOMYYZNNGLD-UHFFFAOYSA-N 324.355 4.594 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccc(OC(F)F)cc2)c(C)c1 916155824 DQLGUTKPWNGZIS-UXBLZVDNSA-N 302.320 4.801 30 20 DJED C=CCn1c(SC[C@@H]2CC2(Cl)Cl)nc2ccccc21 916433701 SSPGSTNLYAUGFB-JTQLQIEISA-N 313.253 4.508 30 20 DJED CCCCCCCC(=O)N[C@H]1CCCOc2ccc(F)cc21 919706165 GKHLRUXAZHJIAM-INIZCTEOSA-N 307.409 4.516 30 20 DJED COc1cccc(C=Nc2cc(Cl)ccc2SC)c1O 920755872 SRSIFSXYOKVXEB-UHFFFAOYSA-N 307.802 4.527 30 20 DJED CC(C)C[C@@]1(C)CCCN1c1ccc(C#N)c(Br)c1 1163390438 MLBAZHVQPSRFEV-MRXNPFEDSA-N 321.262 4.726 30 20 DJED N#Cc1cc(F)cc(NC(=O)c2ccccc2-c2ccccc2)c1 1287796862 QFJWOYWTQFOGFM-UHFFFAOYSA-N 316.335 4.617 30 20 DJED CCC1(c2ccc(Cl)cc2)CCN(CC2(CC#N)CC2)CC1 1307741369 ZXGADYLBXLELRM-UHFFFAOYSA-N 316.876 4.777 30 20 DJED CC(C)(CNc1c(C#N)cnc2c(Cl)cccc12)C1CCC1 1458376774 AXDPFDDXUIBOHR-UHFFFAOYSA-N 313.832 4.998 30 20 DJED Cc1c(C#N)cccc1C(=O)Nc1cccc2c1[C@@H](C)CC2(C)C 1535683396 YEMFPBKMYLSOOA-ZDUSSCGKSA-N 318.420 4.904 30 20 DJED CC(=O)c1ccc(CSc2ccc(Cl)cc2C#N)cc1 1559379275 KYFFSSFAVVIXPU-UHFFFAOYSA-N 301.798 4.707 30 20 DJED N#Cc1nc(Sc2ccc3c(c2)CCCC3)ccc1Cl 1612505088 PDHQMBOBYOABIN-UHFFFAOYSA-N 300.814 4.637 30 20 DJED COc1cc(CN2C[C@H](C)CC[C@@H]2c2ccccc2)ccc1C#N 1621326185 IMKINFYVTAFBEJ-OXQOHEQNSA-N 320.436 4.540 30 20 DJED C[C@H]1C[C@H](CCNC(=O)Nc2ccc(C#N)cc2)CC(C)(C)C1 1622711830 GPHRKRRUOMOTGQ-HOCLYGCPSA-N 313.445 4.532 30 20 DJED C[C@H](CCC(C)(C)C)C(=O)Nc1cc(C#N)ccc1NC1CC1 1639417797 HMRBQNMACKBRON-CYBMUJFWSA-N 313.445 4.533 30 20 DJED C[C@H](Nc1nc(C#N)c(Cl)s1)c1cc2ccccc2o1 1639787531 OGKUWIORMRCDGJ-QMMMGPOBSA-N 303.774 4.587 30 20 DJED C=C(Br)CN1CCCCC[C@H]1c1ccc(CC)o1 1641827694 CBCZVDWMMCLVEU-AWEZNQCLSA-N 312.251 4.668 30 20 DJED Cc1ccc(CSc2nc3c(cc2C#N)CCCC3)cc1C 1651742728 BPHSPNVJQQQUNK-UHFFFAOYSA-N 308.450 4.741 30 20 DJED Cc1ccc(F)c2c1CCCN2CCC1(C#N)CCCCC1 1652792449 YBWWQMZCGJYPDJ-UHFFFAOYSA-N 300.421 4.751 30 20 DJED CN(Cc1ccccc1C(C)(C)C#N)c1ccc(F)c(Cl)c1 1653088639 ATOHZFMVVBURMO-UHFFFAOYSA-N 316.807 4.917 30 20 DJED CCc1ccc(CCN(CC)[C@@H](C)c2ccc(C#N)cc2)cc1 1653200507 QIGQHNOLTVHMIV-KRWDZBQOSA-N 306.453 4.746 30 20 DJED CCc1ccc([C@@H]2CCN(CCC3(C#N)CCCCC3)C2)cc1 1654582486 IUGNUWQPNFMQTL-HXUWFJFHSA-N 310.485 4.902 30 20 DJED N#Cc1cc(Cl)ccc1SCc1cccc2nsnc12 1656331540 FNICMHMFSMQKMT-UHFFFAOYSA-N 317.826 4.509 30 20 DJED CO[C@@H](CSc1ccc(C#N)cc1Cl)c1ccc(F)cc1 1656378218 ISAMNWFYXNEUJC-HNNXBMFYSA-N 321.804 4.831 30 20 DJED N#Cc1cc(NC2CCSCC2)ccc1Oc1ccccc1 1658959639 ZLCCJJITFJGTJW-UHFFFAOYSA-N 310.422 4.658 30 20 DJED Cc1cc(CN2CCC[C@H]2Cc2ccccc2Cl)ccc1C#N 1658962696 GZMJCEVUMDWONL-IBGZPJMESA-N 324.855 4.727 30 20 DJED CC[C@H](Cc1ccccc1)N[C@@H]1CCCc2cc(C#N)ccc21 1659476383 XTSYMJCRMZSTFC-TZIWHRDSSA-N 304.437 4.547 30 20 DJED Cc1noc(C)c1/C=C\C(=O)c1ccc(-c2ccccc2)cc1 35684829 UJWOQNZAXJDRHZ-SEYXRHQNSA-N 303.361 4.855 30 20 DJED CCC(CC)CN(CCC#N)Cc1ncc(-c2cccs2)o1 72692662 XQMDCNCRHUWJJR-UHFFFAOYSA-N 317.458 4.555 30 20 DJED C[C@@H](Nc1cccc(OCCCC#N)c1)c1cc(F)cc(F)c1 120866606 MRRNASRSLVZITJ-CYBMUJFWSA-N 316.351 4.820 30 20 DJED Oc1ccccc1/C=N/[C@H](CC(F)(F)F)c1ccc(F)cc1 131236490 BRNYWNASHFBRLH-YVJZOELXSA-N 311.278 4.644 30 20 DJED N#CCC[C@@H](Nc1nc(C(F)(F)F)cs1)c1ccccc1 164304237 XGWKMYLDRWLYOI-LLVKDONJSA-N 311.332 4.619 30 20 DJED C=CCCCC(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 177900546 XMIPEIPYSNEHFS-HXUWFJFHSA-N 305.421 4.669 30 20 DJED C[C@H](NCCCC(C)(C)C#N)c1ccc(-c2ccncc2)cc1 180890870 GIONIASIMKCOMF-INIZCTEOSA-N 307.441 4.729 30 20 DJED N#Cc1ccc(OCc2coc(-c3cccs3)n2)cc1Cl 190271060 QWNJJMFAQKPGMJ-UHFFFAOYSA-N 316.769 4.507 30 20 DJED C[C@H](N[C@H]1CCSc2ccc(F)cc21)c1cccc(C#N)c1 192982171 CUAQPWMYILKHML-SJCJKPOMSA-N 312.413 4.585 30 20 DJED C=C(C)[C@@H](N[C@H](C)c1cc(C)ccn1)c1ccc(F)c(F)c1 286215864 SBNRPVSLSLKYPX-FZKQIMNGSA-N 302.368 4.636 30 20 DJED C[C@H]1CCC[C@H](COc2ccc(Br)cc2C#N)C1 302458737 YGHYBOWTFLOSFW-RYUDHWBXSA-N 308.219 4.526 30 20 DJED N#Cc1cc(F)c(NC2CCCCCC2)cc1Br 310624405 JDOGHCIGTOPDQY-UHFFFAOYSA-N 311.198 4.595 30 20 DJED CC(C)(C)CC(C)(C)NCc1ccc(Br)cc1C#N 311663557 WZAWIPTTYAAMSX-UHFFFAOYSA-N 323.278 4.625 30 20 DJED C[C@@H]1C[C@H]1c1ccc(CNc2ccc(C#N)cc2C(F)(F)F)o1 320177993 ZTQAUPOMGYWBBJ-ZWNOBZJWSA-N 320.314 4.906 30 20 DJED CC(C)(C)c1nc2cc(N=C(O)[C@@H]3CCCSC3)ccc2o1 329856336 USLLKGPNEYONDT-LLVKDONJSA-N 318.442 4.857 30 20 DJED CC[C@H](C)c1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1 355899199 XYFRQUKNZXWLCV-CMUBDUJZSA-N 320.396 4.622 30 20 DJED CC(C)(C#N)CCCCN1CC[C@@H](CSc2ccccc2)C1 444641099 DDLLZZFOCBECRV-QGZVFWFLSA-N 316.514 4.821 30 20 DJED C=C(C)CN(CC)C(=O)Nc1cccnc1-c1csc(C)c1 446423832 AJDDUWSMFIPZIL-UHFFFAOYSA-N 315.442 4.548 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](C)c1cccc(F)c1 470646758 YKQBYSZYIOBWNJ-INIZCTEOSA-N 311.400 4.534 30 20 DJED CC[C@@H](CN(CC)C(=O)Nc1cccc(C#N)c1)c1ccccc1 479816955 JDQPFGRDFRUSHN-KRWDZBQOSA-N 321.424 4.606 30 20 DJED CCCCN(CC)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 482053764 OPMQOHXPUMSHDK-UHFFFAOYSA-N 322.408 4.613 30 20 DJED Cc1ccccc1[C@H](CC(C)C)NC(=O)C1(C#N)CCCCC1 485598396 KCSVOJNGVYMHSJ-SFHVURJKSA-N 312.457 4.673 30 20 DJED Cc1cc(C)c(C#N)c(N[C@H](C)c2oc3ccccc3c2C)n1 516672402 UFIDXUDSODDLMD-CQSZACIVSA-N 305.381 4.798 30 20 DJED CC(C)CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519052985 SIECGHRFXXFHRQ-UHFFFAOYSA-N 323.396 4.518 30 20 DJED C[C@H](N[C@@H]1CC(C)(C)c2ccccc21)c1ccc(C#N)c(F)c1 538509093 YHOSNQUKOBGJFA-ORAYPTAESA-N 308.400 4.771 30 20 DJED CC(=O)c1ccc(C#N)c(NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 542506717 JWWXMQAAEKSAFR-SWLSCSKDSA-N 324.346 4.541 30 20 DJED Cc1cc(CNc2ccc3oc(C(C)C)nc3c2)ccc1C#N 559815631 FRSHHIFQZYHWMQ-UHFFFAOYSA-N 305.381 4.743 30 20 DJED Cc1ccsc1[C@@H](Cc1ccccc1)Nc1cc(C#N)ccn1 561225861 SOZGBNFJSJEMCT-QGZVFWFLSA-N 319.433 4.719 30 20 DJED Cc1cccc(NC(=O)C[C@@H](CC#N)c2ccccc2)c1Cl 569101613 CZOJMYROBNHRRH-OAHLLOKOSA-N 312.800 4.675 30 20 DJED N#CCC[C@H](C#N)CN[C@H](CC1CCCCC1)c1ccccc1 580769453 QMZADNFLPXWFBD-UYAOXDASSA-N 309.457 4.731 30 20 DJED C=CCCC(=O)N(Cc1ccc(C)cc1)[C@@H]1CCc2ccccc21 588030224 FZOKPLROAAEGQK-OAQYLSRUSA-N 319.448 4.977 30 20 DJED N#Cc1ccc(N(C(=O)CCCc2cccs2)C2CCC2)cc1 598884543 HBDJHUUYNPZUFR-UHFFFAOYSA-N 324.449 4.528 30 20 DJED C=CCC(C)(C)c1noc([C@H](C)OCc2ccc(C)cc2)n1 624633597 QYIDLIOZXSTWAK-AWEZNQCLSA-N 300.402 4.510 30 20 DJED O=C(/C=C/c1cnc(-c2ccccc2)s1)c1cccc(F)c1 727263757 HLGLXAHSKMIVEQ-MDZDMXLPSA-N 309.365 4.845 30 20 DJED Cc1cccc(-c2n[nH]cc2/C=C2/Cc3cc(C)ccc3C2=O)c1 728787593 PGFKMAMGLUPSSD-BOPFTXTBSA-N 314.388 4.516 30 20 DJED CCCCCCCCC(=O)N1CC[C@@H](c2ccccc2F)C1 730505971 GWJGJWLTQNCNGI-MRXNPFEDSA-N 305.437 4.892 30 20 DJED Cc1ccc(-c2ncc(/C=C3\Cc4ccccc4C3=O)s2)cc1 734303514 SBGQTOIQGUCRCF-LFIBNONCSA-N 317.413 4.941 30 20 DJED CC(=NNc1ccc(Cl)nc1)c1ccc(OCC(C)C)cc1 743450507 SSEJAPIWXPFBLI-UHFFFAOYSA-N 317.820 4.606 30 20 DJED Clc1ccccc1C=NNc1cccc(Br)c1 745987530 HCVYGOFNXSLAQY-UHFFFAOYSA-N 309.594 4.549 30 20 DJED COc1cc(C(=O)/C=C\c2cc(F)cc(F)c2)ccc1SC 755589777 AQZHGMKKYRTMBO-HYXAFXHYSA-N 320.360 4.591 30 20 DJED FC(F)(F)CON=C(CC(F)(F)F)c1ccc(Cl)cc1 763370033 KZUOCHJIBVUTGO-UHFFFAOYSA-N 319.632 4.575 30 20 DJED CCCCC[C@H](CC)C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 776090456 KJNKXVBGDSJDKP-LSDHHAIUSA-N 311.429 4.654 30 20 DJED C[C@H](Nc1ccc2c(c1)CC(C)(C)O2)c1ccc(C#N)c(F)c1 777700966 KUGHIABTAUSHAW-LBPRGKRZSA-N 310.372 4.584 30 20 DJED Cn1ncc(Cl)c1/C=C\C(=O)c1ccc(-c2ccccc2)cc1 780175126 IKMGCZLWYQOORC-QXMHVHEDSA-N 322.795 4.637 30 20 DJED C=CCCCCC[C@H](C)NCc1nc(C(F)(F)F)cs1 793532285 GZDDMLOFUQSTOA-NSHDSACASA-N 306.397 4.777 30 20 DJED CCOc1cccc2cc(C(=O)/C=C\c3ccnn3C(C)C)oc12 794938611 MPLLZQQAWRKPNZ-HJWRWDBZSA-N 324.380 4.505 30 20 DJED Cc1sc2ncnc(NN=C3CCC(C(F)F)CC3)c2c1C 799469706 ZIVYCMSWHHCZQL-UHFFFAOYSA-N 324.400 4.531 30 20 DJED CCc1nc(C(C)C)ccc1C(=O)OCCCCC(C)(C)C#N 815353461 CWCNGILTXNOVHB-UHFFFAOYSA-N 316.445 4.644 30 20 DJED O=C1/C(=C\c2cccc(F)c2)CC/C1=C/c1cccc([N+](=O)[O-])c1 818238168 HTFOFBMBJINPIH-VULZFCBJSA-N 323.323 4.564 30 20 DJED C=CC[C@H]1N(C(=O)C[C@]2(C)CC2(Cl)Cl)CCCC1(C)C 830568437 INVORKGWNJCQOR-IUODEOHRSA-N 318.288 4.554 30 20 DJED CCCc1ccc(CNc2ccccc2O[C@H](C)C#N)s1 856776529 ULNVGRUCQJYPBZ-CYBMUJFWSA-N 300.427 4.604 30 20 DJED CC(=NNc1cc(F)cc(F)c1)c1sc(C(C)(C)C)nc1C 920374950 NRRAAURPOPABSW-UHFFFAOYSA-N 323.412 4.863 30 20 DJED C=CCCc1noc(-c2nc(-c3ccccc3)oc2C(C)C)n1 1117831264 LHVKEAQYHOFZNA-UHFFFAOYSA-N 309.369 4.634 30 20 DJED CCc1ccc(C2CCN(CCc3ccc(C#N)cc3)CC2)cc1 1175088611 TZJNHDVEAPFOIN-UHFFFAOYSA-N 318.464 4.543 30 20 DJED CCC[C@@H](CC)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1264129617 SJYNWUHTYXHJHA-VXGBXAGGSA-N 304.459 4.509 30 20 DJED Cc1cc(OCc2nc(C3CCCCC3)cs2)ccc1C#N 1307337745 QEUUHCLFIZJLNF-UHFFFAOYSA-N 312.438 4.950 30 20 DJED Cc1ccc2ncc(C#N)c(OCc3cccc(Cl)c3)c2c1 1307347985 BILUYJOUDZLIBJ-UHFFFAOYSA-N 308.768 4.647 30 20 DJED CC(C)Cc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 1350213385 NGCFVXFGFNFVMS-UHFFFAOYSA-N 312.800 4.662 30 20 DJED Cc1cccc2c1N(C(=O)CC1(C#N)CCCCC1)CC[C@H]2C 1436462507 NVRFAEKKLYCMLT-OAHLLOKOSA-N 310.441 4.699 30 20 DJED Cc1ccc(CNc2ccccc2O[C@@H](C)C#N)c(Cl)c1 1461385045 VVSGEPCTRWQNBY-ZDUSSCGKSA-N 300.789 4.551 30 20 DJED Cc1nc2ccc(CSc3ccc(Cl)cc3C#N)cc2[nH]1 1472996967 BFFSPISUMXKUJP-UHFFFAOYSA-N 313.813 4.689 30 20 DJED CCCc1cc(C(=O)O[C@H](C)c2cccc(C#N)c2)sc1C 1525564804 RVQOHPAYSKMYSB-GFCCVEGCSA-N 313.422 4.799 30 20 DJED CC(C)[C@H](CC(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccccc1 1539791769 RXPIZLBHCAEAPZ-UZLBHIALSA-N 321.420 4.992 30 20 DJED N#Cc1ccc(F)c(CNC2CCC(c3ccccc3)CC2)c1 1561008258 VHSNKVPQTBHAMH-UHFFFAOYSA-N 308.400 4.513 30 20 DJED C[C@@H]1CCC[C@H](CNc2c(Br)cccc2C#N)[C@@H]1C 1612321869 KTUDXJGEOKYSSB-YRGRVCCFSA-N 321.262 4.805 30 20 DJED Cc1nc(NCC2(c3ccc(F)cc3)CCCCC2)ccc1C#N 1639339556 OIYJQAZSWSUHKM-UHFFFAOYSA-N 323.415 4.715 30 20 DJED N#Cc1cccc(SCc2cc(F)cc(Br)c2)c1 1640957565 ZRHITYVUAPLMEM-UHFFFAOYSA-N 322.202 4.752 30 20 DJED N#Cc1ccc(CCN[C@H]2CCCC[C@H](c3ccccc3)C2)cc1 1656622236 FHSSVAKCSFXMLN-VXKWHMMOSA-N 318.464 4.807 30 20 DJED CC[C@@H](Cc1ccc(Cl)cc1)NCc1ccc(C#N)c(C)c1 1657190058 SVWVTXFSLFHKTD-IBGZPJMESA-N 312.844 4.631 30 20 DJED CC(C)(C)CN(Cc1ccccc1)Cc1ccc(F)c(C#N)c1 1657285154 VJPMRHXLQJFPLM-UHFFFAOYSA-N 310.416 4.746 30 20 DJED CCN(C/C=C/c1ccc(OCc2ccccc2)cc1)CCC#N 1659326035 UMCYCQGYDGVUAK-UXBLZVDNSA-N 320.436 4.514 30 20 DJED Cc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 43281466 DVMIAQQHFDGWTN-HNNXBMFYSA-N 321.424 4.873 30 20 DJED N#Cc1ccccc1CN[C@H](Cc1ccccc1)c1ccccc1 53098409 JDCFDEYPMQAFRP-JOCHJYFZSA-N 312.416 4.632 30 20 DJED CSc1ccsc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 80474684 UEDRKVWQGRNJME-VIFPVBQESA-N 322.480 4.540 30 20 DJED CC(C)Oc1ccccc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 105947938 JLPQOVHJAGDLNF-UHFFFAOYSA-N 322.408 4.527 30 20 DJED C[C@@H](CC(=O)Nc1ccccc1SCCC#N)c1ccccc1 108201267 HISNIPLQYGARFJ-HNNXBMFYSA-N 324.449 4.825 30 20 DJED Cc1ccc(CN[C@H](C)c2ccc(C#N)cc2)c(OCC2CC2)c1 124806814 CFDPCNHTWSYSCF-MRXNPFEDSA-N 320.436 4.506 30 20 DJED C=C[C@](C)(CC)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 188320060 XMMSJRVRWHIWPE-FZKQIMNGSA-N 314.454 4.590 30 20 DJED N#CCCCOc1cccc(NCc2sccc2Cl)c1 193030480 VCRCDEYNRXQGOQ-UHFFFAOYSA-N 306.818 4.696 30 20 DJED Cc1ccc([C@H](C)Nc2cccc(OCCCC#N)c2)c(O)c1 193907580 JBSBKJOVSFUUML-HNNXBMFYSA-N 310.397 4.556 30 20 DJED C=CCOc1ccc(/C=C\c2nc3ccccc3o2)cc1OC 209308539 UPZMJDHGFGWHSO-LUAWRHEFSA-N 307.349 4.572 30 20 DJED C[C@@H](CNc1ccc(C#N)c(Br)c1)c1ccccc1 228194937 UOQHUJXMMMXGLA-LBPRGKRZSA-N 315.214 4.536 30 20 DJED CC(C)c1noc([C@H](C)Sc2ccc(C#N)cc2Cl)n1 268187602 DIOVMBPIKGPICF-VIFPVBQESA-N 307.806 4.571 30 20 DJED Cc1nc(-c2ccccc2)sc1[C@@H](C)Nc1ccc(C#N)nc1 301541757 VPWKDTBMPFDVAD-GFCCVEGCSA-N 320.421 4.558 30 20 DJED C[C@@H](Nc1ccc2cc(C#N)ccc2n1)c1cccc(F)c1F 301953715 IKNZOCSFFMEBEU-LLVKDONJSA-N 309.319 4.558 30 20 DJED O/C(=N/Cc1noc2c1CCCC2)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 329320443 UDTMSAFMQWUAGP-SOUVJXGZSA-N 316.445 4.616 30 20 DJED N=C(O)[C@@H]1CCC[C@H](/C(O)=N/[C@H]2CCCc3ccc(F)cc32)C1 330020500 AHKLJHMBGUMABW-WWGRRREGSA-N 318.392 4.501 30 20 DJED CC1CCC(CC(=O)N[C@H](CCCC#N)c2ccccc2)CC1 352165038 AMAVXYIZGNXCCP-FAFZWHIHSA-N 312.457 4.754 30 20 DJED CC(C)C[C@@H](NCCCCC#N)c1cccc(Br)c1 358747906 IEVDSBBCGVSTSZ-MRXNPFEDSA-N 323.278 4.820 30 20 DJED Cc1ccc2c(c1)[C@H](N[C@@H]1CCc3ccc(C#N)cc31)CCC2 426287932 HNXDRDKDGLVHES-NHCUHLMSSA-N 302.421 4.521 30 20 DJED N#CCC[C@@H](NCc1ccc(C(F)(F)F)s1)c1ccccc1 428890863 VTYXGABSEDERFN-CQSZACIVSA-N 324.371 4.902 30 20 DJED Cc1noc(C)c1-c1ccc(OCc2ccc(F)cc2C#N)cc1 432339672 JIPDGTLVLXWSCS-UHFFFAOYSA-N 322.339 4.548 30 20 DJED CC(C)(C#N)CCCCNC1(c2ccc(F)cc2)CCCC1 444661154 LEDCYQQGOQOBRL-UHFFFAOYSA-N 302.437 4.905 30 20 DJED N#C[C@@H]1CC[C@@H](N[C@H](CCc2ccccc2)c2ccccc2)C1 471599587 ULUJTWZEYSNJHQ-HMXCVIKNSA-N 304.437 4.642 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1nc(C2CC2)cs1 482019059 LXJMNFYBBWQGMS-UHFFFAOYSA-N 319.474 4.621 30 20 DJED C[C@@H](NCCCCC#N)c1ccc(-c2ccc(F)cc2)s1 482452256 APRTYJBMZLWRLV-CYBMUJFWSA-N 302.418 4.899 30 20 DJED C=CCOCCCC(=O)N(C1CCCC1)[C@@H](C)c1ccccc1 485464153 HYSXWXGPTRGSKW-KRWDZBQOSA-N 315.457 4.502 30 20 DJED C[C@@H](Sc1ccc(C#N)cn1)c1cccc(Br)c1 488638561 OVYXSMQYHKCEQG-SNVBAGLBSA-N 319.227 4.569 30 20 DJED C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)c1cccc(Cl)c1 512162488 CHHZNGJGVASQKP-CQSZACIVSA-N 319.832 4.565 30 20 DJED CC(C)(C)c1cc(NC(=O)CCCC(F)(F)F)c(C#N)s1 536973034 GBASWBXXPDAGIX-UHFFFAOYSA-N 318.364 4.588 30 20 DJED N#Cc1ccc(CNC2(c3c(Cl)cccc3Cl)CC2)s1 538420106 IGVDSKFGHOVXOS-UHFFFAOYSA-N 323.248 4.705 30 20 DJED N#CCc1ccc(CSCc2cc(-c3ccccc3)on2)cc1 541297166 ZQQQCNBIBVGHCT-UHFFFAOYSA-N 320.417 4.841 30 20 DJED C=CCC[C@H](NCc1cc(F)ccc1SC)c1ccco1 556870824 IXQUWGXPOURODA-HNNXBMFYSA-N 305.418 4.938 30 20 DJED Cc1cccc2cc(C(=O)N[C@@H](C)c3ccc(C#N)cc3)sc12 567644099 SPSFVYNRJLUIBN-ZDUSSCGKSA-N 320.417 4.572 30 20 DJED CC(C)(C)[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 568334031 QIPWJWAMTQQWIZ-UXHICEINSA-N 304.437 4.923 30 20 DJED C=CCC1(C(=O)Nc2ccc(-c3cncnc3)cc2)CCCCC1 569555839 ZYPJFWHAMKDRFK-UHFFFAOYSA-N 321.424 4.609 30 20 DJED CCc1cccc2c1OCC[C@@H]2N[C@H](CC)c1ccc(C#N)cc1 584569787 UHZBVOUTISORQQ-UXHICEINSA-N 320.436 4.685 30 20 DJED N#CCCCCCC(=O)Nc1cccc(Oc2ccccc2)c1 588147780 ORVKFOGCHMEJIB-UHFFFAOYSA-N 308.381 4.891 30 20 DJED C[C@@H](NC(=O)CCCCCC#N)c1cc2ccccc2s1 588157323 FIAGKFQHXFRKNB-CYBMUJFWSA-N 300.427 4.553 30 20 DJED C=C(C)COc1cccc(NC(=O)c2ccc(C(F)F)cc2)c1 589382865 OPLLTMJYKLSUAF-UHFFFAOYSA-N 317.335 4.831 30 20 DJED C[C@@H](NCC(C)(C)CCC#N)c1ccc(F)cc1C(F)(F)F 599047267 RIUTWRYKVQVBDD-LLVKDONJSA-N 316.342 4.825 30 20 DJED CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C#N)cc1 603501061 FRLKHFLSBXHSFD-UHFFFAOYSA-N 321.424 4.520 30 20 DJED CC(C)[C@@H](NCc1ccnc(C#N)c1)c1ccc(C(C)(C)C)cc1 610994490 RSGBRYSLVVWLMS-HXUWFJFHSA-N 321.468 4.738 30 20 DJED Cc1cc(C#N)ccc1CSCc1ccn(C2CCCC2)n1 614394651 GDDYEWDAVMGNCL-UHFFFAOYSA-N 311.454 4.612 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cscc1Cl 685443158 VAGILVWECKPJQP-UHFFFAOYSA-N 323.893 4.757 30 20 DJED CC(C)C(=NNc1ccc(Br)nc1)C1CCCCC1 733901432 OLILGXPEEAFSSX-UHFFFAOYSA-N 324.266 4.848 30 20 DJED Clc1ccc(Br)c(C=NNc2ccccc2)c1 743419240 QOJGABLSNUEPFO-UHFFFAOYSA-N 309.594 4.549 30 20 DJED CC(C)=CCC[C@@H](C)CC=NNc1oc(C(C)C)nc1C#N 745625221 UKKVSLFSLSIOAV-CQSZACIVSA-N 302.422 4.840 30 20 DJED O=C(/C=C/c1ccccc1F)c1ccc(-c2ccncc2)cc1 745990803 YKALCPHZAGPZKT-MDZDMXLPSA-N 303.336 4.784 30 20 DJED CC1(C)/C(=C\c2coc(-c3ccccc3)n2)C(=O)c2ccccc21 749890979 FOMWVZFHRGXNRJ-PDGQHHTCSA-N 315.372 4.899 30 20 DJED Cc1cccc(C(=O)/C=C\c2coc(-c3ccccc3)n2)c1C 749893481 ITZZVCIRVLIFDC-QXMHVHEDSA-N 303.361 4.855 30 20 DJED CC(/C=C\C(=O)c1c(C)nn(C(C)C)c1C)=C\c1ccccc1 750910393 SKRWUQPSODWUMS-XGRKLIJNSA-N 308.425 4.923 30 20 DJED C=CCCO[C@@H](C)C(=O)Nc1ccc(SC(C)(C)C)cc1C 751253156 VXFIVTRNTBMAAC-AWEZNQCLSA-N 321.486 4.805 30 20 DJED CC(C)(CC#N)COC(=O)c1sc2ccccc2c1Cl 764842845 GSQMSGHMUYWPFF-UHFFFAOYSA-N 307.802 4.651 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](F)c1ccccc1 769358275 ZGAMCZKTAUMAAJ-HNNXBMFYSA-N 323.820 4.627 30 20 DJED N#Cc1cc(/C=C\C(=O)c2cccc(Cl)c2Cl)ccc1F 770571416 CTWQSMZAKYRSRJ-ALCCZGGFSA-N 320.150 4.900 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N1CC[C@H]([C@@H]2CCOC2)C1 774819532 FFXTYHZIFYHGIM-GBESFXJTSA-N 323.521 4.648 30 20 DJED Clc1ccc([C@H]2CCCC2=NNc2cnccn2)cc1Cl 776185384 JCSOVRHWVRUKRR-LLVKDONJSA-N 321.211 4.519 30 20 DJED O=C1/C(=C\c2nc3c(s2)CCCC3)[C@H]2CCCc3cccc1c32 776264381 GJHQRXRYAPIUOL-LKKYZFDUSA-N 321.445 4.722 30 20 DJED C=CC[C@@H](C(=O)OCc1ccc2ccccc2n1)c1ccccc1 777442985 GYWFKZIXKGPXMQ-LJQANCHMSA-N 317.388 4.638 30 20 DJED C=CCCN(Cc1csc(C2CC2)n1)OCc1ccccc1 782668543 BPDFJTJCQJKROH-UHFFFAOYSA-N 314.454 4.530 30 20 DJED CC(C)=CCC[C@H](C)CC=NNc1ccc2c(=O)[nH]ccc2c1 789073267 IMSJINOWXARROB-HNNXBMFYSA-N 311.429 4.698 30 20 DJED CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797567440 IGNRGAGMOXLYSF-HZSPNIEDSA-N 318.486 4.833 30 20 DJED CCN(CCCC1(C#N)CCOCC1)c1ccc2ccccc2c1 799129957 WEAJLRFURVDALN-UHFFFAOYSA-N 322.452 4.767 30 20 DJED CCCCCCCCCC(=O)N1CCC=C(c2ccncc2)C1 804746308 GVPPDEZQINUSRQ-UHFFFAOYSA-N 314.473 4.838 30 20 DJED CCC(=NNc1nccnc1C1CCC1)c1cccc(Cl)c1 807994847 VEUSXAOXKINOPL-UHFFFAOYSA-N 314.820 4.624 30 20 DJED C[C@H]1/C(=C/C=C\c2ccccc2[N+](=O)[O-])C(=O)c2ccccc21 809155677 CXBFGQNBEJVEMJ-URKMTCRQSA-N 305.333 4.534 30 20 DJED C[C@H]1/C(=C\c2cnc(-c3ccccc3)nc2)C(=O)c2ccccc21 809159144 JDNUZEXUXPLYEC-HIPSJFSSSA-N 312.372 4.527 30 20 DJED C[C@H](NCc1ccc2sccc2c1)c1ccc(OCC#N)cc1 810242567 DTGNHIPVCVZGEA-AWEZNQCLSA-N 322.433 4.654 30 20 DJED CC1(CC(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)CCCCC1 813217821 PHSNUEXYYZKLNZ-CYBMUJFWSA-N 324.346 4.637 30 20 DJED COc1cccc(NN=C(C)c2nc(-c3ccccc3)cs2)c1 814778657 PRHHXNHWLYJYAT-UHFFFAOYSA-N 323.421 4.655 30 20 DJED COc1cc(NN=C2CC(c3ccccc3)C2)ccc1Cl 814919954 VWEYIQNLQTYLSB-UHFFFAOYSA-N 300.789 4.694 30 20 DJED C=CC(C)(C)C(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1 826982686 NUTVSEAAIIHTHN-IBGZPJMESA-N 323.436 4.504 30 20 DJED CN(Cc1cc2cc(Cl)ccc2nc1Cl)CC(C)(C)C#N 846921926 FNLRYNMWLQDZCN-UHFFFAOYSA-N 322.239 4.523 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCC=C(Cl)Cl 849315029 UUJZSPLOYWVYSQ-JTQLQIEISA-N 301.242 4.812 30 20 DJED COc1cccc(/C=N\[C@@H](C)c2ccccc2C(F)(F)F)c1O 920177867 LYSBJGURIJSFMM-GVHCZZSVSA-N 323.314 4.600 30 20 DJED O=C1/C(=C\c2cccc(C(F)(F)F)c2)COc2c(F)cccc21 921267046 UTCNLUQQDYTXOS-XFFZJAGNSA-N 322.257 4.503 30 20 DJED CC(C)Cc1cccc([C@@H](C)C(=O)Nc2ccc(F)c(C#N)c2)c1 1264923944 ZAJROMBDNSKZKD-CQSZACIVSA-N 324.399 4.638 30 20 DJED CC(C)c1ccc2c(c1)CN(Cc1ccc(C#N)cc1Cl)CC2 1307912269 SBTCNCFCUWANGU-UHFFFAOYSA-N 324.855 4.893 30 20 DJED N#Cc1cccc(C#N)c1N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 1458434279 XWIQSEHMNWAQAI-RDTXWAMCSA-N 321.811 4.832 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NC/C=C/c1ccc(F)c(F)c1 1461584365 ITBVSBFXYJQJIF-ZOXCZHJPSA-N 324.374 4.517 30 20 DJED CCN(C/C=C/c1cccc(F)c1)[C@H](C)c1ccc(C#N)cc1 1474370679 ZZJMQJATDAEBKY-BIENSFFJSA-N 308.400 4.794 30 20 DJED C[C@@H](CC(C)(C)C#N)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 1560762729 RUGOGDHXFFTKBS-OLZOCXBDSA-N 312.379 4.727 30 20 DJED Cc1cc(C#N)ccc1CN1CCCc2cc(C(C)C)ccc21 1615954111 KDBVXIAZDZXMTC-UHFFFAOYSA-N 304.437 4.943 30 20 DJED Cc1cc([C@@H](C)Nc2c(Br)cccc2C#N)c(C)o1 1642165532 MGPYTFQKJZBEPZ-SNVBAGLBSA-N 319.202 4.704 30 20 DJED N#Cc1cc(Cl)ccc1COc1ccccc1C(F)(F)F 1651733171 RBYOQQKPDPHPNO-UHFFFAOYSA-N 311.690 4.809 30 20 DJED Cc1ccccc1-c1ccccc1CN(CCC#N)CC1CC1 1651831742 XSKAIOAENATRBA-UHFFFAOYSA-N 304.437 4.788 30 20 DJED COc1ccc(C#N)cc1NC/C=C\c1c(C)cc(C)cc1C 1656390151 AIBOLNJJFOOOPT-WAYWQWQTSA-N 306.409 4.617 30 20 DJED CCc1ccc(C(=O)[C@@H](C)Sc2ccc(C#N)c(C)c2)cc1 1656666703 IJIAOUTXOMMQRN-CQSZACIVSA-N 309.434 4.793 30 20 DJED Cc1cc(CN(CCc2ccccc2)CC(C)C)ccc1C#N 1657409133 KSXNVGXSXRDSGH-UHFFFAOYSA-N 306.453 4.567 30 20 DJED Cc1ccc(C[C@H]2CCCN(Cc3ccc(C#N)c(C)c3)C2)cc1 1658214684 XKVHTXYKYPRWCU-HXUWFJFHSA-N 318.464 4.630 30 20 DJED Cc1cc(C#N)cc(N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)c1 1659445470 ZBJRVULMZKTUQA-ZDUSSCGKSA-N 318.342 4.929 30 20 DJED CCOc1ccc(C#N)cc1NC1CCC(C(C)(C)C)CC1 1664234765 YTKRMXCXSOKGPN-UHFFFAOYSA-N 300.446 4.974 30 20 DJED Cc1cc(C#N)cc(NC(=O)N[C@H](c2ccccc2C)C(C)C)c1 1672775849 SAMSBBIJBJGNOI-IBGZPJMESA-N 321.424 4.694 30 20 DJED C=C(Cl)Cn1c(C2CCCC2)nnc1N(CC(C)C)C(C)C 1690342714 UFGSWHQAGAQOMR-UHFFFAOYSA-N 324.900 4.559 30 20 DJED N#Cc1ccc(Cl)cc1NCc1ccc(C(F)(F)F)cc1 36954314 PDXKELXFSHFTQU-UHFFFAOYSA-N 310.706 4.843 30 20 DJED Cc1ccc(C(=O)/C=C/c2csc(-c3ccc(F)cc3)n2)o1 71813686 CSJPCXZEUZIGOH-BQYQJAHWSA-N 313.353 4.747 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)C[C@@H](C)c1ccccc1 108437332 DRKIFJPVHJVURU-MRXNPFEDSA-N 311.400 4.534 30 20 DJED CSc1ccc2c(c1)CC/C(=C/c1ccc(C#N)s1)C2=O 176407615 MFOOORNSEXBVTC-XFXZXTDPSA-N 311.431 4.554 30 20 DJED CC(C)(C#N)CCCN[C@H](CC(F)(F)F)c1ccc(F)cc1 180552632 CBHLASGSVIQTMI-CQSZACIVSA-N 316.342 4.739 30 20 DJED CC(C)[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(F)cc1F 181893761 LHDIEKJWJBBFDE-YJYMSZOUSA-N 314.379 4.884 30 20 DJED CCCCc1nc(CSCc2ccccc2C#N)cs1 195594626 BUEHVDMHZJDBPZ-UHFFFAOYSA-N 302.468 4.791 30 20 DJED Cc1cc([C@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)c(C)s1 271941969 OYDGGWCILWFXBG-NEPJUHHUSA-N 302.418 4.788 30 20 DJED Cc1ccc([C@@H](C)Nc2cccc(OCCCC#N)c2)c(O)c1C 273502213 QLTJWIFKCRXICB-MRXNPFEDSA-N 324.424 4.865 30 20 DJED Cc1cnc([C@H](C)/N=C(/O)N[C@@H]2CCCCC23CCCC3)s1 329612620 KCWJCWPIRKYZQI-UONOGXRCSA-N 321.490 4.519 30 20 DJED CC(C)c1nnc(C/N=C(/O)C[C@@H](C)C2CCCCC2)s1 329835109 LXOZVMVKYLNRFI-GFCCVEGCSA-N 309.479 4.725 30 20 DJED Cc1nc(CC2CC2)oc1/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@H]2C1 330004809 BKVUDRIWPNUKOR-HRCADAONSA-N 316.445 4.599 30 20 DJED C[C@H](CCC#N)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F 411615606 RTHVWGCBQGRDRQ-INWMFGNUSA-N 310.363 4.623 30 20 DJED CC(C)(C#N)CCCCSCCCOc1cccc(C#N)c1 435880455 JKVSTHAZIZKNGB-UHFFFAOYSA-N 316.470 4.780 30 20 DJED C=CCOc1cccc(NC(=O)N2CCC[C@@H](C)[C@H]2CCC)c1 437840387 JNBMMPNFCFPQCA-CRAIPNDOSA-N 316.445 4.684 30 20 DJED N#Cc1ccc(OCc2cc(-c3cccs3)on2)cc1Cl 438897334 DYUNDDPQFPCORV-UHFFFAOYSA-N 316.769 4.507 30 20 DJED CC[C@H](CC#N)NC(=O)Nc1ccc(Oc2cccc(C)c2)cc1 460130989 ZDYODDWCMVLHNN-OAHLLOKOSA-N 323.396 4.601 30 20 DJED C=CCCC1(C(=O)Nc2cccc(CCC(F)(F)F)c2)CC1 476283349 GVXQKLFEMIWBGB-UHFFFAOYSA-N 311.347 4.866 30 20 DJED N#CCCCCSCCOc1cc(Cl)cc(Cl)c1 480360606 FSIPWVWYRFBNCE-UHFFFAOYSA-N 304.242 4.799 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1ccsc1Cl 483179506 SYYJLYQRVQKYIH-UHFFFAOYSA-N 304.846 4.684 30 20 DJED C[C@H](c1ccccc1)N(C(=O)c1cccc(C#N)c1)C1CCCC1 485466338 JNADMGLJHPCORC-MRXNPFEDSA-N 318.420 4.704 30 20 DJED C=CCCCCCS[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 485588789 KNOMSEDJYZDYHD-HNNXBMFYSA-N 319.470 4.696 30 20 DJED CC(C)CCn1ncc(NCc2ccc(C#N)s2)c1C(C)C 486881588 MWHXSNLHXXLSEQ-UHFFFAOYSA-N 316.474 4.598 30 20 DJED C=CC[C@H](C(=O)N[C@@H]1CCSc2ccccc21)c1ccccc1 487810380 YOLAHURCOMHXGP-FUHWJXTLSA-N 323.461 4.700 30 20 DJED Cc1nc(SCc2ccc(F)c(C#N)c2)[nH]c1-c1ccccc1 488221921 NVAZAAICXWSADL-UHFFFAOYSA-N 323.396 4.688 30 20 DJED C=CCOc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 495634547 GORLLFPXNGOCSW-UHFFFAOYSA-N 321.298 4.523 30 20 DJED CCC(CC)[C@H](NC(=O)c1sccc1C#N)c1ccccc1 497994125 OYMDRGRYBTUDKT-INIZCTEOSA-N 312.438 4.527 30 20 DJED CC(C)(C)C[C@H](NC(=O)CC(C)(C)C#N)c1ccc(Cl)cc1 498933203 KUVHJPYINRSIMV-HNNXBMFYSA-N 320.864 4.873 30 20 DJED CCN(Cc1ccc(F)c(-c2cccs2)c1)C[C@@H](C)C#N 509831834 JPVFXMFPCIYFNI-ZDUSSCGKSA-N 302.418 4.536 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)CC1=CCCCC1 519319994 WRYQOKIVNCMLLT-UHFFFAOYSA-N 309.862 4.807 30 20 DJED CCCN(CC)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 521842278 UTFLSFIZGHDYDT-UHFFFAOYSA-N 323.396 4.614 30 20 DJED C=CCCCNc1ccc(C(=O)N2CCCC[C@@H]2C)c(Cl)c1 524844385 JEINKLYKCBFVHD-AWEZNQCLSA-N 320.864 4.733 30 20 DJED Cc1ccc(C#N)cc1NC(=O)CCCCCc1cccs1 531071045 MOCBZHGYQNEUJE-UHFFFAOYSA-N 312.438 4.670 30 20 DJED C=CCC[C@H](N[C@H]1CCc2ccc(OC)cc21)c1ccccc1 537949012 OPLMEXMSBOPUHY-SFTDATJTSA-N 307.437 4.980 30 20 DJED N#CC[C@H](Cc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 571122960 KQLBNGOJNOKKAK-OAHLLOKOSA-N 323.783 4.630 30 20 DJED C=C(C)COc1cc(CNc2cccc(CC)c2)ccc1OC 604064222 FLOAKBOBNXQPMC-UHFFFAOYSA-N 311.425 4.825 30 20 DJED CC[C@@H](c1ccc(Br)cc1)N1CCC[C@](C)(C#N)C1 612165068 KBUTYWUEWHXIEN-JKSUJKDBSA-N 321.262 4.526 30 20 DJED C=CCOc1ccc(C(=O)N2CCC[C@H]2c2cccc(C)c2)cc1 615172978 MPTUOQYPEKBQHX-FQEVSTJZSA-N 321.420 4.537 30 20 DJED C=CCN(C(=O)c1cc(C)c(-c2ccc(F)cc2)s1)C(C)C 726500984 XMSAZCOLKNHWEW-UHFFFAOYSA-N 317.429 4.899 30 20 DJED C=CCOc1ccc(/C=C/C(=O)c2ccc(C)o2)cc1Cl 727264217 OKBRFARDYSGJND-FNORWQNLSA-N 302.757 4.702 30 20 DJED CC(C)Sc1ccc(C(=O)/C=C/c2cccc(C#N)c2)cc1 728441860 RVEUHDCXPQEKNM-IZZDOVSWSA-N 307.418 4.955 30 20 DJED CCC(Cc1cccs1)=NNc1ccc(Cl)c(C(=O)O)c1 730945219 BJORKWKFPOQPOR-UHFFFAOYSA-N 322.817 4.520 30 20 DJED O=C(/C=C/c1ccc(OC(F)F)c(Cl)c1)c1cccs1 731488525 IUEHNFCCPOANIA-HWKANZROSA-N 314.740 4.899 30 20 DJED CCCCCCCCCN(C)C(=O)/C=C/c1cnc(C)s1 732734390 FSHDGXYHKOCECB-VAWYXSNFSA-N 308.491 4.674 30 20 DJED Fc1cccc(F)c1NN=Cc1csc(-c2ccsc2)n1 735616005 URUUEGRLBDLECS-UHFFFAOYSA-N 321.377 4.596 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(-c3ccncc3)cc2)cc1 745990103 JYUMFHLRLAQTOZ-NYYWCZLTSA-N 315.372 4.653 30 20 DJED CC[C@H](C)Oc1cc(/C=C/C(=O)c2ccc(C)o2)ccc1OC 749453325 PZWLQWNVHFQDAR-XOVSCCBYSA-N 314.381 4.670 30 20 DJED Cc1cc(/C=C\C(=O)c2ccc(F)c(Cl)c2)cnc1Cl 760264282 RFVXOKPIOVOVLS-DJWKRKHSSA-N 310.155 4.732 30 20 DJED N#Cc1c(F)ccc(/C=C\C(=O)c2ccccc2Cl)c1Cl 761474312 KJIFZEYPQXRDBT-VURMDHGXSA-N 320.150 4.900 30 20 DJED COc1cc(F)ccc1NN=CC1CCC(C(F)(F)F)CC1 761894819 CUDVIVZRYITIEN-UHFFFAOYSA-N 318.314 4.601 30 20 DJED CC1(C)C(=NNc2cnnc3ccccc23)C[C@@H]1c1ccccc1 768486118 XPPJQVWMHIGNDD-MRXNPFEDSA-N 316.408 4.611 30 20 DJED Cc1c(C(=O)/C=C\c2ccc(F)c(C#N)c2)oc2ccccc12 770571400 RQKBGUTXBGNHAO-CLFYSBASSA-N 305.308 4.648 30 20 DJED C#CC[C@@H](NC(=O)Nc1c(C)cccc1SC)c1ccccc1 771289872 NYZHJRGRQBFLCG-MRXNPFEDSA-N 324.449 4.603 30 20 DJED Fc1ccc(C=NNc2c(F)cccc2F)c(C(F)(F)F)c1 771878827 NPQWTCCEQILUHP-UHFFFAOYSA-N 318.220 4.569 30 20 DJED CCC[C@@H](Cc1ccccc1)N[C@H](C)c1ccc(OCC#N)cc1 776157681 SVGFUGHSRSQTII-XLIONFOSSA-N 322.452 4.651 30 20 DJED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(-c2ccccc2)cc1 782197320 IPYYTSKMRLWKLA-FQEVSTJZSA-N 309.409 4.521 30 20 DJED CC[C@H](CC#N)OC(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 787079524 UNVTYQITGPPDRJ-OAHLLOKOSA-N 322.408 4.578 30 20 DJED O=C(/C=C/c1ccnc(Cl)c1Cl)c1ccc(Cl)cc1 791432747 CDAQLMGUSQOZJO-ZZXKWVIFSA-N 312.583 4.938 30 20 DJED CC(C)(C)c1cnc([C@@H](C#N)C(=O)CC2CCCCCC2)s1 797566976 WPXJAJCNXCWCFZ-AWEZNQCLSA-N 318.486 4.977 30 20 DJED CCCCCCCC(=O)OCc1nc2ccccc2n1C(F)F 890141203 LFJUBELDVYUBGC-UHFFFAOYSA-N 324.371 4.835 30 20 DJED C=CCCCC[C@H](C)N[C@@H](C(=O)O)c1ccc2ccccc2c1 901516742 QWPWOKGEZFZDSU-HNAYVOBHSA-N 311.425 4.690 30 20 DJED C=CCCCC[C@H](C)N[C@H](C(=O)O)c1ccc2ccccc2c1 901516744 QWPWOKGEZFZDSU-KXBFYZLASA-N 311.425 4.690 30 20 DJED CCc1ccccc1NN=Cc1cc(C)n(-c2nccs2)c1C 915051622 KGNFIDNMFQHYPL-UHFFFAOYSA-N 324.453 4.559 30 20 DJED CCC(=NNc1nc2ccccc2s1)c1ccc(OC)cc1 916246937 YLPFHRGVJGQVTL-UHFFFAOYSA-N 311.410 4.531 30 20 DJED CCC(=NNc1ncc(Cl)cc1Cl)c1ccc(OC)cc1 916316875 OHGAMZGNBQBNEE-UHFFFAOYSA-N 324.211 4.623 30 20 DJED CC(C)(C)c1ncc(C=NNc2cccc(Cl)c2F)s1 921137836 NWNMZOAJKMTOCY-UHFFFAOYSA-N 311.813 4.679 30 20 DJED CCc1ccc([C@@H](Nc2ccc(Cl)c(C#N)n2)C(C)C)cc1 1184644000 FPBBJIOFVPLTHK-SFHVURJKSA-N 313.832 4.978 30 20 DJED N#Cc1cccc(N[C@H](c2c(Cl)cccc2Cl)C2CC2)n1 1186626974 MFJNXNJYAGWWSU-INIZCTEOSA-N 318.207 4.823 30 20 DJED Cc1ccc(C(=O)N[C@H](C)c2cccc(C#N)c2)c2ccccc12 1288803930 PWCXGZBPMNCKIW-OAHLLOKOSA-N 314.388 4.511 30 20 DJED CCC(C)(C)c1ccc(NC(=O)c2ccccc2CC#N)cc1 1297450894 QRKZLCMSBSZPIU-UHFFFAOYSA-N 306.409 4.693 30 20 DJED Cc1ccc(CN(Cc2cccc(F)c2C#N)CC(C)C)c(C)c1 1308834128 NWTILNMAWKNPGY-UHFFFAOYSA-N 324.443 4.972 30 20 DJED CCN(Cc1ccccc1F)Cc1ccccc1C(C)(C)C#N 1319232333 VFBSWQHYGGHPPA-UHFFFAOYSA-N 310.416 4.649 30 20 DJED Cc1cc(C)c(C#N)c(N[C@@H](C)c2cccc(C(F)(F)F)c2)n1 1337008899 NRBLMROHVQGFOZ-LBPRGKRZSA-N 319.330 4.762 30 20 DJED CC(C)(C)C1CCC(CC(=O)Nc2ccc(F)c(C#N)c2)CC1 1435013397 FEUCGYJITYVSMP-UHFFFAOYSA-N 316.420 4.878 30 20 DJED Cc1ccccc1[C@@H](NC(=O)c1cc(C#N)ccc1F)C(C)(C)C 1435429674 ZLWRQQYJWLEKAJ-GOSISDBHSA-N 324.399 4.523 30 20 DJED Cc1c(Cl)cnc(N2CCC(C)(CC(C)C)CC2)c1C#N 1458414738 NRRSJRLEDFDSMI-UHFFFAOYSA-N 305.853 4.568 30 20 DJED Cc1c(C#N)cccc1NC(=O)N[C@H](CCC(C)C)C(C)(C)C 1465871934 VBGJAIKPHGDUMM-QGZVFWFLSA-N 315.461 4.839 30 20 DJED N#CC1(CCN2CCc3cc(Cl)ccc3C2)CCCCC1 1473376688 HCCKPZJCBGULOV-UHFFFAOYSA-N 302.849 4.562 30 20 DJED CCC(C)(C)c1ccc(COC(=O)C2(C#N)CCCCC2)cc1 1520634551 TYDCNAOLPZRLMT-UHFFFAOYSA-N 313.441 4.891 30 20 DJED Cc1coc(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c1 1524141707 IGXWMTBMKSPYLW-UHFFFAOYSA-N 318.332 4.504 30 20 DJED C=C(CNC(=O)N(Cc1ccccc1)CC(C)C)c1ccccc1 1635923646 RPZRDCPLVRLGHK-UHFFFAOYSA-N 322.452 4.568 30 20 DJED N#Cc1sc(N[C@H]2CCC[C@@H](c3ccccc3)C2)nc1Cl 1639882722 KXAHCLFUAGBEPU-OLZOCXBDSA-N 317.845 4.806 30 20 DJED N#Cc1nc(N[C@@H](c2ccccc2)C2CCC2)sc1Cl 1642232924 VKJLAJPFGSYIRX-ZDUSSCGKSA-N 303.818 4.621 30 20 DJED N#CCCN(Cc1ccco1)CC1CCC(c2ccccc2)CC1 1653501689 UCQKEFQLDTUPHD-UHFFFAOYSA-N 322.452 4.969 30 20 DJED C=C(Br)CN[C@@H](C)c1ccc(F)c2ccccc12 1653773720 NGNWJDFQYSHRFX-NSHDSACASA-N 308.194 4.538 30 20 DJED COc1cc(CNc2cc(C)cc(C(F)(F)F)c2)ccc1C#N 1662815776 WOUNMNNQXQKXDU-UHFFFAOYSA-N 320.314 4.506 30 20 DJED Cc1csc(NC(=O)N[C@@H](C)CCC2CCCCC2)c1C#N 1671134515 SPQXYHKQRUDEQI-ZDUSSCGKSA-N 319.474 4.799 30 20 DJED CCCc1ccc(/C=C/C(=O)c2cc(C(=O)O)ccc2C)cc1 1776832117 FAOARVJFIMLYIZ-ZRDIBKRKSA-N 308.377 4.542 30 20 DJED N#Cc1ccccc1Oc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 65680229 ZALXRBVMKZIZNU-OAHLLOKOSA-N 318.376 4.645 30 20 DJED CCO[C@@H](C)c1nc(CSCc2ccc(C#N)cc2)cs1 76862624 CKXMPAADHOBADZ-LBPRGKRZSA-N 318.467 4.546 30 20 DJED N#C[C@@H](C(=O)CC1CCCC1)c1nc(-c2ccccc2)cs1 78735508 QMYPHELNXZZQCH-HNNXBMFYSA-N 310.422 4.567 30 20 DJED CC[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCO2 90664948 LOQQGWCBJUUJHL-UXHICEINSA-N 320.436 4.707 30 20 DJED CCCOc1ccc(CN[C@@H](CCC#N)c2ccccc2)cc1 130611426 ZTJSPTYQMSKAMI-FQEVSTJZSA-N 308.425 4.610 30 20 DJED C=CCC[C@@H](NCc1ccc(O[C@H](C)C#N)cc1)c1ccccc1 158827426 BUYSYRDJFSWHPJ-DYESRHJHSA-N 320.436 4.775 30 20 DJED C[C@H](NCc1ccccc1C#N)c1nc(-c2ccccc2)cs1 162069663 WFZQQIWKRKOGMH-AWEZNQCLSA-N 319.433 4.533 30 20 DJED Cc1ccc(C#N)cc1NCc1csc(-c2ccsc2)n1 172892848 ZGHOYOZXRFJRAN-UHFFFAOYSA-N 311.435 4.664 30 20 DJED COc1cccc(-c2nc(CSCCCCC#N)cs2)c1 178390320 XWUFDUOSAUDFTQ-UHFFFAOYSA-N 318.467 4.746 30 20 DJED Cc1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1-c1ncco1 180005568 MRPLZRYEYAKMIE-CQSZACIVSA-N 303.365 4.695 30 20 DJED C[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 193002534 UUIQRDBLAANWCE-STQMWFEESA-N 318.342 4.989 30 20 DJED COc1ccc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)cc1F 205685657 DWYVPSLSYJSQIV-ALCCZGGFSA-N 324.273 4.749 30 20 DJED Cc1ccoc1C(=O)/C=C\c1csc(-c2ccc(F)cc2)n1 255414345 ADBWKVITKRJZKU-SREVYHEPSA-N 313.353 4.747 30 20 DJED Cc1ccc(C=NOCc2nc(-c3cccs3)oc2C)cc1 255419539 JJBRSEOPZSEABS-UHFFFAOYSA-N 312.394 4.571 30 20 DJED CC[C@H](Nc1ccc(C#N)cc1)c1ccccc1OC(F)F 301283448 QSOKHXGULRKHCT-HNNXBMFYSA-N 302.324 4.723 30 20 DJED C[C@H](NCc1c(Cl)oc2ccccc12)c1ccc(C#N)cc1 316903054 KCYIPKSZADWLHP-LBPRGKRZSA-N 310.784 4.809 30 20 DJED CCC1(C/N=C(/O)C2CCC(/N=C(/O)C3CC3)CC2)CCCC1 330020986 XBRQDYFMBCARRL-UHFFFAOYSA-N 320.477 4.839 30 20 DJED Cc1nc(-c2ccc([C@@H](C)Nc3cnccc3C#N)cc2)cs1 354556838 DDXNTFFVTRKSJG-GFCCVEGCSA-N 320.421 4.558 30 20 DJED C[C@H](CCC(=O)N(C)[C@H](C)c1cccc(C#N)c1)c1ccccc1 425127722 JDPRJANDAALXJA-IAGOWNOFSA-N 320.436 4.662 30 20 DJED Cc1cc2cc(C(=O)Nc3sc(C)c(C)c3C#N)oc2cc1C 443815055 IVKDFOCFYFWSGU-UHFFFAOYSA-N 324.405 4.852 30 20 DJED C=CCCC(=O)Nc1cc(C(F)(F)F)ccc1NCCCC 461562834 OHBUZCAPVUAEFJ-UHFFFAOYSA-N 314.351 4.822 30 20 DJED CCOc1ccc(C(F)(F)F)cc1N[C@H]1CCC[C@@H](C#N)C1 463298158 BCJKZYGEKYFQRO-YPMHNXCESA-N 312.335 4.598 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1c(C)cccc1F 469915619 HCGSDNBBEFCTCN-UHFFFAOYSA-N 312.388 4.744 30 20 DJED C[C@@H](C(=O)Nc1ccc(Cl)c(C#N)c1)c1cc2ccccc2o1 482147741 FHBNJWXDEZBJLF-LLVKDONJSA-N 324.767 4.700 30 20 DJED Cc1ccccc1[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)C(C)C 484567930 NIIJCSQRCPDTAL-GOSISDBHSA-N 309.369 4.584 30 20 DJED N#Cc1cccnc1/C=C/c1ccc(Cl)c(Br)c1 486077184 QIGNZTHNNDEBEL-GQCTYLIASA-N 319.589 4.540 30 20 DJED C=C[C@H](CC(=O)NC[C@]1(C)C[C@H]1c1ccccc1)c1ccccc1 501669791 NILWUQJBGRPIAU-AGHHOFFYSA-N 319.448 4.656 30 20 DJED CCC(CC)CC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 505991941 ONBIFSKEIIRBCZ-AWEZNQCLSA-N 313.228 4.501 30 20 DJED C[C@H](NC[C@H](c1ccccc1)C1CC1)c1ccc(C#N)cc1F 517722274 YVGNYVXEIYSCSH-IFXJQAMLSA-N 308.400 4.542 30 20 DJED N#Cc1ccccc1SCc1ccc(F)c(Br)c1 525083887 ZFEZZKODBGDNAA-UHFFFAOYSA-N 322.202 4.752 30 20 DJED CCOc1ccc(C(F)(F)F)cc1NCCCC(C)(C)C#N 531786049 NQMHSBDFQOXDHZ-UHFFFAOYSA-N 314.351 4.846 30 20 DJED C=C[C@@H](CC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccccc1 533886030 LEEMBIYRWDEJGY-KKSFZXQISA-N 305.421 4.614 30 20 DJED CC[C@@H](C)Oc1cc(C)ccc1CN[C@H](C)c1cccc(C#N)c1 537295962 PNHCKCJYGSHTDF-IAGOWNOFSA-N 322.452 4.895 30 20 DJED CCc1cnc(CNc2ccc(Oc3ccccc3)c(C#N)c2)o1 548611405 DCFDDZIWTOJKKW-UHFFFAOYSA-N 319.364 4.513 30 20 DJED CC1(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCCCC1 558447172 FUSDFZJYIUJAEI-UHFFFAOYSA-N 313.445 4.580 30 20 DJED C=C(C)CN(CC)C(=O)N[C@@H](C)c1ccc(F)c2ccccc12 561591069 PPQASTKKSHTGNW-AWEZNQCLSA-N 314.404 4.648 30 20 DJED CC[C@@H](CC#N)NCc1ccc(Oc2cc(F)cc(F)c2)cc1 562252050 AVEAWTCPAPNAQJ-INIZCTEOSA-N 316.351 4.539 30 20 DJED COc1ccc2cc(-c3noc(CCCCCC#N)n3)ccc2c1 589089107 BVOJYFQQHSHJSC-UHFFFAOYSA-N 321.380 4.525 30 20 DJED CCC[C@@H](C)CC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604528468 VJJNNEUDWIWKQR-CQSZACIVSA-N 323.396 4.510 30 20 DJED Cc1ccc(C)c2c1CCC[C@H]2N[C@H]1CCc2cc(C#N)ccc21 618803340 ICSDXCGNRWROQH-LEWJYISDSA-N 316.448 4.830 30 20 DJED C[C@@H]1CC[C@H](N[C@@H]2CCc3cc(C#N)ccc32)c2ccccc21 618804053 JUDKKGAPSVOOEX-IFZYUDKTSA-N 302.421 4.774 30 20 DJED C#Cc1cccc(NC(=S)Nc2c(Cl)cccc2Cl)c1 726433874 VUGHGSVMEKVTLV-UHFFFAOYSA-N 321.232 4.784 30 20 DJED CCOc1ccc(C(=O)/C=C\c2cccc(OC(F)F)c2)cc1 747063519 MMRRVMIIWCHLEQ-WDZFZDKYSA-N 318.319 4.583 30 20 DJED O=C(/C=C/c1ccc(Cl)s1)c1c[nH]c2cc(F)ccc12 749452603 LIWSWPGMYOIXSU-GORDUTHDSA-N 305.761 4.918 30 20 DJED Cc1ccc(-c2nc(/C=C\C(=O)c3ccc(C)s3)co2)cc1 749892208 SUKALHZKTLREOL-HJWRWDBZSA-N 309.390 4.916 30 20 DJED N#Cc1cccc(-c2csc(NC(=O)C=C3CCCCC3)n2)c1 752376112 JAQQNGAONMDQDF-UHFFFAOYSA-N 323.421 4.511 30 20 DJED O=C(/C=C\c1ccc(Sc2ccccc2)cc1)c1cnccn1 753900268 LXTHOBANIQHAKQ-FLIBITNWSA-N 318.401 4.524 30 20 DJED CCOc1cc(/C=C\C(=O)c2cc3ccc(C)cc3o2)ccc1O 754828109 CWMYUMJACFAURR-TWGQIWQCSA-N 322.360 4.742 30 20 DJED C(CCC1CCOCC1)=NN(Cc1ccccc1)c1ccccc1 764884736 FLJDTKJHTMYNNB-UHFFFAOYSA-N 322.452 4.886 30 20 DJED C=CC[C@@H](N[C@@H](C)c1cc2c(s1)CCCC2)c1ccncc1 766020394 OZRYVWQZWLKGSP-WMLDXEAASA-N 312.482 4.990 30 20 DJED CC(C)(C#N)CCCCOC(=O)[C@H]1CCSc2ccccc21 768739212 WSLKKOHFZXAWDN-HNNXBMFYSA-N 317.454 4.529 30 20 DJED C[C@@H](NCc1ccc(SC(F)F)cc1)c1ccc(C#N)cc1 775160584 HHXMXGJHDPNPJW-GFCCVEGCSA-N 318.392 4.724 30 20 DJED O=C(/C=C/c1ccc(Cl)nc1Cl)c1ccc(F)c(F)c1 779359738 VPFJOIIHXKPIJG-GORDUTHDSA-N 314.118 4.563 30 20 DJED CCc1ccc(C(=O)/C=C\c2cn(C)nc2C2CCCCC2)o1 783711029 QYFROVXEOWOJRN-LUAWRHEFSA-N 312.413 4.519 30 20 DJED Cn1cc(C(=O)/C=C\c2ncc(C(C)(C)C)s2)c2ccccc21 790601458 VALWYGXPEYYGHR-KTKRTIGZSA-N 324.449 4.828 30 20 DJED COc1ccc2cc(N[C@H](C)c3cccc(C#N)c3)ccc2c1 795315621 GWUIETVGWHNWHN-CQSZACIVSA-N 302.377 4.893 30 20 DJED CCCCCCCCCC(=O)N1CCCC[C@@H]1c1cc[nH]n1 804275907 GBSDRQKQPRYISO-QGZVFWFLSA-N 305.466 4.604 30 20 DJED C=CCC(F)(F)C(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 815774295 UFTQXDQMDZQJFO-GZKZCVOOSA-N 319.395 4.682 30 20 DJED N#Cc1cccc(C(=O)/C=C/c2cccc(OC3CCCC3)c2)c1 917518279 YKYGBJNBFXUOMH-VAWYXSNFSA-N 317.388 4.776 30 20 DJED COc1cccc(/C=N/[C@@H](C)c2ccccc2C(F)(F)F)c1O 920177869 LYSBJGURIJSFMM-JYQBEENSSA-N 323.314 4.600 30 20 DJED Fc1ccc(NN=Cc2csc(-c3ccsc3)n2)c(F)c1 920356465 LPVNXLKJLRJUKJ-UHFFFAOYSA-N 321.377 4.596 30 20 DJED CC[C@@H](C)c1ccc(C(=O)OCc2cc(C#N)ccc2F)cc1 1126764077 NKWNCQQBGPIZGR-CYBMUJFWSA-N 311.356 4.568 30 20 DJED CCCC[C@@H](C)N(CCCC)Cc1ccc(C#N)cc1OC 1170518986 LWTPVPMTKQSTPF-MRXNPFEDSA-N 302.462 4.748 30 20 DJED CC(C)[C@@H]1CCc2ccccc2[C@H]1NCc1ccc(C#N)c(F)c1 1180623109 MTXSSZCTKQBJOZ-RXVVDRJESA-N 322.427 4.747 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cscc1C(F)(F)F 1182499168 LUYHCPKHNVOCDN-NSHDSACASA-N 324.371 4.832 30 20 DJED CCc1nsc(Nc2ccc(Oc3ccc(C#N)cc3)cc2)n1 1185088675 JWZOOPVXCTVNTL-UHFFFAOYSA-N 322.393 4.508 30 20 DJED CCc1ccc(-c2nc(COc3ccccc3C#N)cs2)cc1 1188317564 RLKOZVHIRDDFPR-UHFFFAOYSA-N 320.417 4.823 30 20 DJED N#Cc1ccc(C2CCN(CC/C=C/c3ccccc3)CC2)cc1 1198210116 FDFIXOCXDUMLSE-XBXARRHUSA-N 316.448 4.841 30 20 DJED CC(C)[C@H](NCc1cc(F)cc(C(F)(F)F)c1)C(F)(F)F 1202066138 MLFQFWCVGIMNBU-NSHDSACASA-N 317.248 4.521 30 20 DJED CCCCN(C(=O)Nc1cc(F)cc(C#N)c1)C1CCCCC1 1219799481 UDVGFKWCLFDRTR-UHFFFAOYSA-N 317.408 4.664 30 20 DJED CC[C@H](OC(=O)c1ccc(C#N)s1)c1cccc(Cl)c1 1267310739 OAFRHNFRILEIHI-ZDUSSCGKSA-N 305.786 4.581 30 20 DJED CCN(C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1)c1ccc(C#N)c(Cl)c1 1458034143 IDMJQTWQJXIDMZ-BFHYXJOUSA-N 318.848 4.637 30 20 DJED N#Cc1nc(Oc2ccc(Cc3ccccc3)cc2)ccc1Cl 1458164284 WJBLUOJFRRMXAW-UHFFFAOYSA-N 320.779 4.990 30 20 DJED Cc1cc(C#N)ccc1CN1[C@@H](C)Cc2cc(F)ccc2[C@H]1C 1459773005 FEOHQSGJRITZHN-LSDHHAIUSA-N 308.400 4.514 30 20 DJED CC(C)(C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1cccc2ccccc12 1460800119 YKWHVTUVMNFHDO-NVXWUHKLSA-N 321.420 4.743 30 20 DJED C[C@@H](NCCc1cccc(Cl)c1Cl)c1ccc(C#N)cc1 1473469433 ZDLGIPDJEHLJHB-GFCCVEGCSA-N 319.235 4.758 30 20 DJED C[C@H](CCC1CCCCC1)NC(=O)CC1(C#N)CCCCC1 1531199541 UWFCBAMYXBBHBM-MRXNPFEDSA-N 304.478 4.716 30 20 DJED C[C@H](OC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1 1531748103 XIUKNWIITRIKQX-JTQLQIEISA-N 320.175 4.783 30 20 DJED CCC[C@@H](CC(C)C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1536557544 MIMOIZICXLCIPC-PKOBYXMFSA-N 312.457 4.514 30 20 DJED Cc1nsc(Nc2ccc(Nc3ccccc3)cc2)c1C#N 1559054105 ZMQBALURDPEBSV-UHFFFAOYSA-N 306.394 4.810 30 20 DJED Cc1cc(Sc2nc(Cl)nc3ccccc23)ccc1C#N 1559218571 HGGSITLLERBTBP-UHFFFAOYSA-N 311.797 4.615 30 20 DJED C[C@@H](CCc1ccccc1)Sc1nc2c(cc1C#N)CCCC2 1559355093 OCLMMKDRKNDTTO-HNNXBMFYSA-N 322.477 4.945 30 20 DJED CCCC[C@@H](C)N(CCCC)C(=O)Nc1sccc1C#N 1563024669 SFZPQLMESUDFLR-CYBMUJFWSA-N 307.463 4.832 30 20 DJED Cc1nc(NC[C@H](c2ccccc2)C(C)C)c(Cl)cc1C#N 1611779487 KGPXLJXYKSZFLB-INIZCTEOSA-N 313.832 4.767 30 20 DJED C[C@H](NCCC(C)(C)C#N)c1ccccc1OCc1ccccc1 1616915346 XQEAFDPNRLIOLU-KRWDZBQOSA-N 322.452 4.856 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2CCCC[C@H]2c2ccccc2)n1 1650942514 KJDWQWXEPBLMLE-SFHVURJKSA-N 319.452 4.982 30 20 DJED Cc1nc(N2CCC[C@@H]2CCC2CCCC2)c(Cl)cc1C#N 1651641036 FBXQBOXNDUSLSL-MRXNPFEDSA-N 317.864 4.854 30 20 DJED CC[C@H]1CN(Cc2cccc(C#N)c2)CC[C@H]1c1ccccc1 1652659715 YPOGHQLVTXODET-PZJWPPBQSA-N 304.437 4.574 30 20 DJED CC(C)(C)c1ccc2c(c1)CCCN2Cc1ccc(F)c(C#N)c1 1652918847 XWWSTLVIDRONMQ-UHFFFAOYSA-N 322.427 4.948 30 20 DJED CCSc1ccccc1CN(C)[C@H](C)c1cccc(C#N)c1 1653972708 MTZMTDCWXWDHPO-OAHLLOKOSA-N 310.466 4.863 30 20 DJED Cc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)c(Cl)c1 1658146626 SKILEWRPZIRFPN-IBGZPJMESA-N 310.828 4.687 30 20 DJED N#Cc1ccc(/C=C2/CCC/C(=C/c3ccc(C#N)cc3)C2=O)cc1 174993 FLEJFAFNXSGQKC-FDYZEBBJSA-N 324.383 4.650 30 20 DJED COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC 6338299 WTRDTBJUZZLCND-RMKNXTFCSA-N 316.784 4.562 30 20 DJED CSc1ccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)cc1 49371987 IEOIMIMGAKYMNQ-KRXBUXKQSA-N 304.798 4.664 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1)c1cccc(Cl)c1Cl 117951236 RNSUZMDXYAVEPB-LLVKDONJSA-N 305.208 4.716 30 20 DJED O=C(/C=C/c1cnc(C2CCC2)s1)c1ccc(O)c(Cl)c1 119256630 GBZICDZDYGSDDX-FNORWQNLSA-N 319.813 4.666 30 20 DJED N#Cc1ccc(Oc2nc(-c3ccccc3)ns2)c(Cl)c1 120809563 BHRFSLBRSVGJIU-UHFFFAOYSA-N 313.769 4.522 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)C2CCC(C)(C)CC2)n1 132473151 ADKXIWZYINJVGU-ZDUSSCGKSA-N 304.459 4.659 30 20 DJED C=C[C@@H](CC(=O)Nc1cccc(-c2cnco2)c1)c1ccccc1 156348702 POUQLMURMZTLFU-HNNXBMFYSA-N 318.376 4.640 30 20 DJED Cc1ccc(C)c(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 186547196 AYJHSKGSZUNFQQ-UHFFFAOYSA-N 307.397 4.749 30 20 DJED Cc1ccccc1-c1nnc(S[C@@H](C)c2cccc(C#N)c2)o1 189767189 XMWOCOBKEZIZJS-ZDUSSCGKSA-N 321.405 4.770 30 20 DJED Cc1ccnc(Oc2cc(Nc3ccc(C#N)cn3)ccc2C)c1 301443358 JHAMISWAFZSWQR-UHFFFAOYSA-N 316.364 4.501 30 20 DJED C[C@H](c1ccccc1)N(C(=O)c1ccc(C#N)s1)C1CCCC1 425581130 KDEMQNDIHRMECM-CQSZACIVSA-N 324.449 4.766 30 20 DJED Cc1cc(NCc2ccc(C#N)cc2F)ccc1-c1ccncc1 427418152 ACTXCYOVKZCTNA-UHFFFAOYSA-N 317.367 4.680 30 20 DJED C=CCC[C@@H](NC(=O)N(CC1CC1)CC1CC1)c1ccccc1 435114671 VAQXSAPFBANKBC-LJQANCHMSA-N 312.457 4.526 30 20 DJED CC[C@H](N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(C#N)cc1 436303560 CMXYTIXQGJYFHM-IHPCNDPISA-N 308.400 4.684 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1cc(Cl)c(Cl)cc1F 439975368 DJJCRRSIUHEJMI-SECBINFHSA-N 317.191 4.705 30 20 DJED N#C[C@@H]1CC[C@@H](N[C@@H](c2ccc(Cl)cc2)c2cccs2)C1 442793684 QORRUUPWSSRIKR-VMGRFDJRSA-N 316.857 4.773 30 20 DJED C[C@@H](NC1CCC(C)(C#N)CC1)c1ccc(-c2ccncc2)cc1 449186883 POINUYXCCNROKI-YMTQGWHGSA-N 319.452 4.872 30 20 DJED CC1(C#N)CCC(N[C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 449227445 PJDFMUCCVIFSTH-XEVCZEQESA-N 312.432 4.824 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](CSc2ccccc2)C1 464760411 GZKRNSGMGHBDCY-FUHWJXTLSA-N 322.477 4.733 30 20 DJED C=CCC(CC=C)C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 467339176 RDNCYTWZGSROIB-UHFFFAOYSA-N 310.397 4.665 30 20 DJED C=C(C)[C@@H](NCCCc1ccc(C)nc1)c1ccc(F)c(F)c1 474933943 YGRFDUQUNLSWRP-LJQANCHMSA-N 316.395 4.508 30 20 DJED CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C(C)(C)C#N)cc1 476281609 BZYCLTGAWOPWHZ-CRAIPNDOSA-N 312.457 4.529 30 20 DJED N#Cc1ccc(CNc2ccccc2N2CCCCCC2)cc1F 479493664 ZXRRMDBJHZIOOA-UHFFFAOYSA-N 323.415 4.690 30 20 DJED C=CCCCC(=O)N(Cc1cccs1)c1ccc(F)cc1F 481153198 JHMYNQKYOODCFP-UHFFFAOYSA-N 321.392 4.916 30 20 DJED C=CCCC1(C(=O)Nc2cc(OC)ccc2OCCCC)CC1 483301430 XRLLRNBMQMVJNB-UHFFFAOYSA-N 317.429 4.559 30 20 DJED N#CCn1c(/C=C/c2csc3ccccc23)nc2ccccc21 486103226 QBZRRFLBDMFVID-MDZDMXLPSA-N 315.401 4.945 30 20 DJED CCC[C@@H](C)CC(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 486566751 OZNCKZTWGODRFW-HWWITLHISA-N 316.489 4.524 30 20 DJED C=C[C@@H]1CCCCN1C(=O)CCCCCO[C@H]1CCC[C@H](C)C1 488879954 PRHQYRYRNDJFBP-OTWHNJEPSA-N 321.505 4.709 30 20 DJED N#C[C@H](NC(=O)CC1=CCCCC1)c1ccc(Cl)c(Cl)c1 505928864 VWUUJZNSVAMEJG-HNNXBMFYSA-N 323.223 4.565 30 20 DJED CC[C@H](CN(CC)C(=O)c1cccc(C#N)c1C)c1ccccc1 509331206 KUHSMDRGLOSSJT-QGZVFWFLSA-N 320.436 4.523 30 20 DJED Cc1ccc(-c2nc(CSc3ccc(C#N)cc3)co2)cc1 509625940 OOLAFPKTHLYPJD-UHFFFAOYSA-N 306.390 4.814 30 20 DJED Cc1c(C#N)cccc1C(=O)Nc1cc(Cl)c(Cl)cc1F 510779957 IVJNGUGYXMMNIR-UHFFFAOYSA-N 323.154 4.565 30 20 DJED C=CC[C@H]1N(Cc2ncc(CSC)s2)CCCC1(C)C 513271193 JBKBIHCINXKTGO-CQSZACIVSA-N 310.532 4.573 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C[C@H]1CCCC(F)(F)C1 513885209 MMZSVPIXSHLMET-KRWDZBQOSA-N 306.400 4.594 30 20 DJED C=CCCCCCN(C)C(=O)c1cccc(OC2CCCC2)c1 523510207 XKYXZANKZZLLDP-UHFFFAOYSA-N 315.457 4.826 30 20 DJED C=CCCc1csc([C@H](CCC)NC(=O)c2ccccc2)n1 534879901 XXQUPJJCRAPYBJ-INIZCTEOSA-N 314.454 4.533 30 20 DJED N#Cc1c(F)cccc1N1CCCC[C@H]1c1nc2ccccc2o1 535632109 QCWNTTGKCLJAAB-KRWDZBQOSA-N 321.355 4.570 30 20 DJED C[C@H](NCc1cccc(C#N)c1F)c1cccc(Cl)c1Cl 538215879 PLOPMYXXRMIEIO-JTQLQIEISA-N 323.198 4.855 30 20 DJED CC[C@@H](NCc1ccc(CC#N)cc1)c1ccc(Cl)s1 541626108 UCGVJNASYKHPCI-CQSZACIVSA-N 304.846 4.708 30 20 DJED Cc1ccc2oc(SCc3ccccc3C(C)(C)C#N)nc2n1 542217689 GUHDUHMFAFEHOB-UHFFFAOYSA-N 323.421 4.625 30 20 DJED CC(C)OCCCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542944085 XECNVIROQNPRQE-QGZVFWFLSA-N 322.452 4.691 30 20 DJED Cc1cc(Cl)cc(C)c1CNC1(c2cccc(C#N)c2)CC1 551835320 QMGNOCCXMZOJDH-UHFFFAOYSA-N 310.828 4.607 30 20 DJED Cc1cc(F)ccc1-c1ccc(CN(CCC#N)C(C)C)o1 551970155 INFHTBIYYZQZLJ-UHFFFAOYSA-N 300.377 4.518 30 20 DJED C[C@@H](Nc1ccc2c(c1)C(=O)CCCC2)c1ccc(C#N)cc1 564815782 KFBIBEHJGGSJCC-CQSZACIVSA-N 304.393 4.640 30 20 DJED Cc1ccccc1C(N[C@@H]1CC[C@H](C#N)C1)c1ccccc1C 572019278 SFBMWNZWAQDNLN-ZWKOTPCHSA-N 304.437 4.675 30 20 DJED N#CCC1(CSCc2csc(-c3ccc(F)cc3)n2)CC1 596326872 BFNSKPUXBRKHFR-UHFFFAOYSA-N 318.442 4.876 30 20 DJED N#C[C@H](Cc1ccccc1)Sc1nc2cc(Cl)ccc2o1 597230308 FYTFDKFZRBTGDR-ZDUSSCGKSA-N 314.797 4.708 30 20 DJED CCCN(Cc1ccc(OC)cc1)[C@@H](C)c1ccc(C#N)cc1 604492901 SDKCNTSRMJZINB-INIZCTEOSA-N 308.425 4.540 30 20 DJED C=CC[C@H](C)NC(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 604900761 GZZMIGSQVZINEV-QWRGUYRKSA-N 315.244 4.660 30 20 DJED COc1ccc(/C=C\c2nc3cc(Cl)ccc3o2)cc1C#N 610218457 QRDFXDVLGGORJY-CLTKARDFSA-N 310.740 4.532 30 20 DJED N#Cc1ccc(CNc2ccc3ccc(F)cc3n2)cc1Cl 619746564 FHOVUWXANWSITF-UHFFFAOYSA-N 311.747 4.511 30 20 DJED N#Cc1ccc(CN[C@@H]2CCc3c(Cl)cccc32)cc1Cl 619746785 KJCRQYVEBQWNML-QGZVFWFLSA-N 317.219 4.642 30 20 DJED CC(=NNc1ccc(Br)cc1C)c1cc(C)oc1C 728432903 HYSSJTSQVQLIFV-UHFFFAOYSA-N 321.218 4.803 30 20 DJED CCC(=NNc1ccc(Br)nc1)C1CCCCC1 732711538 CQQVLLQZKDRUJP-UHFFFAOYSA-N 310.239 4.602 30 20 DJED CCOc1ccc(C=Nc2cccc(CC(F)(F)F)c2)c(O)c1 743044643 NOKDFRHMBOMVDT-UHFFFAOYSA-N 323.314 4.646 30 20 DJED CC(=NNc1cccc(F)c1)c1ccc(-c2ccncc2)cc1 745195318 IFRJDNWHOFKYQH-UHFFFAOYSA-N 305.356 4.724 30 20 DJED C[C@H](/N=C\c1ccccc1O)c1ccc(-c2ccncc2)cc1 746394969 UKWZVMZQNQNXHE-HSMAQGNYSA-N 302.377 4.634 30 20 DJED CCCCCCCCCC(=O)N1CC=C(C(F)(F)F)CC1 757576094 LUMQGFMDZAPREX-UHFFFAOYSA-N 305.384 4.848 30 20 DJED C#CCCc1noc(-c2csc(-c3ccc(C(C)C)cc3)n2)n1 762014895 UWMFSNVWBSOVLN-UHFFFAOYSA-N 323.421 4.549 30 20 DJED Cc1ccccc1[C@H]1CCCN1Cc1ccc(O[C@H](C)C#N)cc1 768316221 AGWBRNPSJXRKDF-DYESRHJHSA-N 320.436 4.623 30 20 DJED CCn1nc(/C=C2/Cc3c(Cl)cccc3C2=O)c2ccccc21 769743551 XCVXAASMCALLCK-QXMHVHEDSA-N 322.795 4.532 30 20 DJED CC1(C)Oc2ccc(N[C@@H]3CCCc4cc(C#N)ccc43)cc2O1 777636611 XUXPUSJDOLRBOY-QGZVFWFLSA-N 320.392 4.555 30 20 DJED Cc1ccc2cc(C(=O)/C=C/c3cn4cc(C)ccc4n3)oc2c1 789149182 WRMHWQAHAUYWMZ-VOTSOKGWSA-N 316.360 4.593 30 20 DJED CC(C)c1cccc2c1OCC/C(=C/c1ccnn1C(C)C)C2=O 794941712 WCFBLWUBYBQZPT-QINSGFPZSA-N 324.424 4.636 30 20 DJED Cc1nn(C(C)C)cc1/C=C\C(=O)c1cc(Cl)ccc1Cl 798369466 HXZBZQCOBNZUBP-DAXSKMNVSA-N 323.223 4.975 30 20 DJED C/C(C=NO[C@@H]1CCCCO1)=C\c1ccccc1C(F)(F)F 799885607 ZVSLGSXFNTVACY-ZLNRTJOXSA-N 313.319 4.638 30 20 DJED FCCC[C@@H]1CCCC1=NNc1ccc(OC(F)F)cc1 800811764 IISGMXBGMVOSAW-NSHDSACASA-N 300.324 4.606 30 20 DJED Clc1ccc(Cl)c(C=NNCC2CCCC2)c1Cl 808006628 ZJASWLXFNRSQNM-UHFFFAOYSA-N 305.636 4.761 30 20 DJED C[C@@H]1/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)c2ccccc21 809155676 CXBFGQNBEJVEMJ-RHTWYOILSA-N 305.333 4.534 30 20 DJED CC(=NNc1ccccc1)c1sc(Cc2ccccc2)nc1C 814684201 HPYUHGNRWVHLRU-UHFFFAOYSA-N 321.449 4.878 30 20 DJED CC(C)(C#N)[C@@H]1CCCC1=NNc1ncc(Cl)cc1Cl 814740460 OFQCRLXWMDBMCW-SNVBAGLBSA-N 311.216 4.506 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)/C(F)=C/C2CCCCC2)n1 815970619 FAVQXFXBZDLQAR-HRYODUOUSA-N 320.433 4.876 30 20 DJED Cc1ccc([C@H](C)C(=O)Nc2scc(C(C)(C)C)c2C#N)o1 839369709 NNIAGPRZPQQBLC-NSHDSACASA-N 316.426 4.561 30 20 DJED CC[C@H](OC(=O)CC1(C#N)CCCCC1)c1ccnc(Cl)c1 851019257 ATMOARFPCURZLF-AWEZNQCLSA-N 320.820 4.593 30 20 DJED C=CCN(Cc1ccccc1)C(=S)Nc1ccc(C)c(C)c1 914601728 IYHUJOHZNWBXSU-UHFFFAOYSA-N 310.466 4.688 30 20 DJED CC(C)c1cccc(NC(=S)N(C)c2cccc(C#N)c2)c1 920393443 JQZYOGYVQPBWOU-UHFFFAOYSA-N 309.438 4.515 30 20 DJED CCc1ccc([C@@H](NCC(C)(C)CCC#N)c2cccnc2)cc1 926426329 AIOLKHQAEPGLER-HXUWFJFHSA-N 321.468 4.653 30 20 DJED CCCN(c1cccc(F)c1C#N)[C@@H](C)c1ccccc1OC 1185065061 NNGKGLIAKMDYBH-AWEZNQCLSA-N 312.388 4.684 30 20 DJED N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCc1ccccc1Cl 1191157376 XSEKOEFVSLWXRP-AZUAARDMSA-N 324.855 4.654 30 20 DJED C=C(CNC(=O)Nc1ccc(OCCC)cc1C)c1ccccc1 1214827837 BOXLDEOPMKJJAH-UHFFFAOYSA-N 324.424 4.619 30 20 DJED CC[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(F)cc1C#N 1307502313 YDHPBHUVUXPRBV-LEWJYISDSA-N 322.427 4.856 30 20 DJED N#CCc1cccc(NCc2ccc(-c3ccccc3F)o2)c1 1308408139 PUBDBXRGASCIIW-UHFFFAOYSA-N 306.340 4.764 30 20 DJED CCOc1ccc(C#N)cc1N[C@@H]1CC[C@](C)(c2ccccc2)C1 1308677605 PRXYHWBPHNLOAJ-NQIIRXRSSA-N 320.436 4.879 30 20 DJED N#Cc1cc(NC(=O)c2ccc(C3CCC3)cc2)ccc1Cl 1351349332 SATQLQPNULXYBJ-UHFFFAOYSA-N 310.784 4.731 30 20 DJED C[C@H](OC(=O)c1cccc(Cl)c1Cl)c1cccc(C#N)c1 1457754363 HVTXZYGBNGYRQW-JTQLQIEISA-N 320.175 4.783 30 20 DJED CC(C)Cc1ccc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1 1461076583 AMHSNGBSZQPZQJ-INIZCTEOSA-N 320.436 4.590 30 20 DJED CCc1ccc2ccccc2c1CNCc1cc(C#N)cs1 1474261353 TWMUGTQAMQDYBP-UHFFFAOYSA-N 306.434 4.625 30 20 DJED CC(C)C[C@@H](C(=O)O[C@H](C)c1cccc(C#N)c1)c1ccccc1 1518199119 KYVDYKWARTUMCT-OXQOHEQNSA-N 321.420 4.992 30 20 DJED N#Cc1ccccc1-c1ccccc1C(=O)OC1CCCCC1 1521791642 FXZMHPSHIANWHH-UHFFFAOYSA-N 305.377 4.715 30 20 DJED CN(Cc1ccc(C#N)cc1Cl)[C@@H]1CCC[C@H]1c1ccccc1 1559899027 SIMDKWQXXNZJMB-AZUAARDMSA-N 324.855 4.980 30 20 DJED CCOc1ccc(C#N)cc1NCc1ccc(Cl)c(Cl)c1 1560497671 ZSRZZANDKWTORW-UHFFFAOYSA-N 321.207 4.876 30 20 DJED Cc1cc(N[C@H](C)CC(C)(C)C#N)cnc1N1CCCC[C@@H]1C 1560703504 HXXYBUYDNCEHPD-CVEARBPZSA-N 314.477 4.509 30 20 DJED C[C@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)c1cccc(C#N)c1 1613393178 SUZHSNNYHOQVOG-LBPRGKRZSA-N 323.396 4.941 30 20 DJED CC[C@@H]1CCCC[C@H]1C(=O)N(c1ccccc1C#N)C1CCC1 1617593625 AMSRNAJLMPHLEI-CRAIPNDOSA-N 310.441 4.660 30 20 DJED Cc1cccc2c1CC(C)(C)N(Cc1ccc(Cl)cc1C#N)C2 1643178973 AMSHFVWOHSDWQP-UHFFFAOYSA-N 324.855 4.857 30 20 DJED CSc1cc(NCc2ccc(C#N)cc2F)ccc1Cl 1651216890 YRZTWNROCFSZRN-UHFFFAOYSA-N 306.793 4.685 30 20 DJED Cc1cc(C)cc(Nc2nccc(Oc3cccc(C#N)c3)n2)c1 1651300333 AOUNJNRUASJAFM-UHFFFAOYSA-N 316.364 4.501 30 20 DJED N#Cc1c(F)cccc1N[C@@H]1C[C@H]1c1ccc2ccccc2c1 1651793278 KECVQHSHTBDTOK-OXJNMPFZSA-N 302.352 4.819 30 20 DJED CCN(Cc1ccc2ccccc2c1)Cc1cccc(F)c1C#N 1651950909 ZUEHOWDIXVDDFU-UHFFFAOYSA-N 318.395 4.873 30 20 DJED N#Cc1ccc(SCCc2cc(Cl)cc(Cl)c2)nc1 1656215794 VIXVKDUVTPDPFB-UHFFFAOYSA-N 309.221 4.595 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCCCCc2ccccc21 1657636101 YUUMJRKMLPNPEN-UHFFFAOYSA-N 310.828 4.945 30 20 DJED CO[C@@H](CNc1ccc(Oc2ccccc2)c(C#N)c1)CC(C)C 1658963760 GZUXRYVWHAKYOG-LJQANCHMSA-N 324.424 4.824 30 20 DJED CC[C@@H](C)c1ccc(C(C)=NNc2cccc(C(=O)O)c2)cc1 1776037457 ISUZBKZUJQUYTJ-CYBMUJFWSA-N 310.397 4.734 30 20 DJED C[C@@H](NCc1cccc(C#N)c1)c1ccc(-c2ccccc2)o1 151395906 LMRTUYKZQQDJMN-OAHLLOKOSA-N 302.377 4.669 30 20 DJED N#Cc1ccccc1SCc1ncc(-c2ccccc2F)o1 173709407 KBWFGQUIYOTVGN-UHFFFAOYSA-N 310.353 4.645 30 20 DJED CC[C@H](C)[C@H](C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 180326583 GCNBOAHTZGVMOX-IHRRRGAJSA-N 304.459 4.559 30 20 DJED C=C[C@H](CC(=O)Nc1ccccc1CSC)c1ccccc1 186125633 XYBKBXKDQGFMID-OAHLLOKOSA-N 311.450 4.848 30 20 DJED CC[C@H](CC#N)NCc1ccc2c(c1)c1ccccc1n2CC 236919229 NYKBSUZLRGOUGB-MRXNPFEDSA-N 305.425 4.596 30 20 DJED Cc1ccc([C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)C2CC2)cc1 271874254 NRFNSFRVIFNLIH-HRAATJIYSA-N 320.436 4.699 30 20 DJED CC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc(OC)cc1 271978688 YLXCTOUOAFSWRH-YJYMSZOUSA-N 312.388 4.508 30 20 DJED C[C@@H](Nc1ccc(Cl)c(C#N)n1)c1c(F)cccc1Cl 301492035 OTIGOGPOJBHSGU-MRVPVSSYSA-N 310.159 4.572 30 20 DJED CCOc1cccc([C@H](C)Nc2ccc3cc(C#N)ccc3n2)c1 301979106 OSENDFUETZCMLW-AWEZNQCLSA-N 317.392 4.678 30 20 DJED C[C@@H](Cc1ccc(Cl)cc1)N[C@@H](CCC#N)c1ccccc1 359307265 UILHDBDPRAJIOA-KXBFYZLASA-N 312.844 4.906 30 20 DJED CC(C)c1ccoc1-c1noc([C@@H]2C[C@H]2c2cccc(C#N)c2)n1 420505165 QLIUCEZSWUKELD-JKSUJKDBSA-N 319.364 4.596 30 20 DJED CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@H]1CC[C@H](C#N)C1 425620212 IHNKLHGTQYZCCB-LSDHHAIUSA-N 313.445 4.747 30 20 DJED C=CCC(C)(C)CNC(=O)N(C)[C@@H](C)c1ccccc1Cl 432571590 ANPVVYDYZVPMEN-ZDUSSCGKSA-N 308.853 4.645 30 20 DJED C=C[C@@H](CC(=O)Nc1cc(Cl)cc(F)c1F)c1ccccc1 441568266 UQLDARDWSYVQGO-NSHDSACASA-N 321.754 4.917 30 20 DJED CC(C)C(=O)c1ccc(NCc2ccccc2C(C)(C)C#N)cc1 453153249 CEXICDVKVITLMD-UHFFFAOYSA-N 320.436 4.939 30 20 DJED CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)c1cc(C)ccc1C 475022742 LAVOBZGIKFDILB-UHFFFAOYSA-N 320.436 4.771 30 20 DJED Cc1ccc2ccccc2c1C[S@](=O)CCCC(C)(C)C#N 479997440 VDFQFSVSVNTXEQ-JOCHJYFZSA-N 313.466 4.727 30 20 DJED CC(C)(C)[C@H](NCc1ccc(C#N)c(F)c1)c1cccc(F)c1 484070715 SUVKJQBDZOSKFI-GOSISDBHSA-N 314.379 4.713 30 20 DJED CC(C)(C#N)c1ccccc1CNc1cc(F)cc(Cl)c1 486563829 IFAOZSWRNBCBCV-UHFFFAOYSA-N 302.780 4.892 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1cc(-c2cncc(F)c2)ccc1C 512770514 DNPOGEWAGXHWKV-IBGZPJMESA-N 312.388 4.737 30 20 DJED C=CCCC[C@@H](C)NC(=O)Nc1ccc(CC(F)(F)F)cc1 537251701 URWJHVLBXXBFOV-GFCCVEGCSA-N 314.351 4.658 30 20 DJED C[C@H](NCc1cccc(Cl)c1Cl)c1ccc(C#N)c(F)c1 537405869 AQGGUDQVLSYMBC-JTQLQIEISA-N 323.198 4.855 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 539408478 VPWNTLZGOBWQNC-UXHICEINSA-N 323.411 4.534 30 20 DJED C=CC[C@@H](C)[C@@H](C)NCC1(c2ccc(Cl)cc2)CCOCC1 540191177 LYZHQBXISZIXPA-HZPDHXFCSA-N 321.892 4.579 30 20 DJED C[C@@H]1CC=CC[C@H]1C(=O)Nc1sc(-c2ccccc2)cc1C#N 556378644 ZJLRMELQMPVFGH-CZUORRHYSA-N 322.433 4.828 30 20 DJED C[C@H](NCC1(C#N)CC1)c1ccc(O[C@@H](C)c2ccccc2)cc1 595680918 ITYNNEAMFCHBBG-IRXDYDNUSA-N 320.436 4.781 30 20 DJED CC(C)(C)CC(C)(C)NC(=S)Nc1ccc(C#N)c(Cl)c1 726435471 AUZRPFMRZBVTQZ-UHFFFAOYSA-N 323.893 4.713 30 20 DJED CC(C)c1ccc(C2(C(=O)OCCCCC#N)CCCC2)cc1 731093232 LAGPJRQALROKJJ-UHFFFAOYSA-N 313.441 4.859 30 20 DJED C=CCN(C(=O)Nc1ccc(C(F)(F)F)cc1Cl)C(C)C 732435174 LNMUVTUITFPSAY-UHFFFAOYSA-N 320.742 4.787 30 20 DJED COc1cc(C#N)ccc1OCCS[C@@H](C)c1cccs1 740767373 AXLVTHPBKIKCOE-LBPRGKRZSA-N 319.451 4.502 30 20 DJED C=CCCC(=O)O[C@H]1CCCc2nc(-c3ccccc3)sc21 741195013 NHZNFLXZFVDRPU-HNNXBMFYSA-N 313.422 4.697 30 20 DJED C#Cc1cccc(NC(=O)C(C)(C)c2ccc3ccccc3c2)c1 741895024 OFBGQHGBXDSNFQ-UHFFFAOYSA-N 313.400 4.737 30 20 DJED CCCCCCCC(=O)NC[C@@H](OC)c1ccc(Cl)cc1 741965448 QHEATTYYACVGLF-MRXNPFEDSA-N 311.853 4.504 30 20 DJED CCCCCCC[C@@H](C)CNC(=O)N(C)[C@@H](C)c1ccncc1 744280775 UOXYIJREVVRIDI-SJORKVTESA-N 319.493 4.781 30 20 DJED COc1cc(C)ccc1C(=O)/C=C\c1cnc(C2CCC2)s1 760261566 DRLOKGNXFBMSRX-CLFYSBASSA-N 313.422 4.624 30 20 DJED C=CC[C@H](N[C@@H](CC)c1ccc(N(C)C)cc1)c1ccncc1 766018103 GAAJOXWMARLHSN-PMACEKPBSA-N 309.457 4.506 30 20 DJED O=C1/C(=C/c2ccc3cnccc3c2)Cc2c(Cl)cccc21 782327309 JAMUWWYOECSSIO-OQLLNIDSSA-N 305.764 4.711 30 20 DJED COc1ccc2nc(/C=C\C(=O)c3ccc(C)cc3)sc2c1 788733805 VQHGHKPCHKIEPD-KTKRTIGZSA-N 309.390 4.509 30 20 DJED O=C(/C=C/c1ccc(OCC2CC2)cc1)c1ccc(F)cc1F 790209612 DEQBQMSVLKXGSJ-BJMVGYQFSA-N 314.331 4.650 30 20 DJED CC(C)N(Cc1ccc(OCC#N)cc1)[C@@H](C)c1ccccc1 794686071 UFGSIXJYSMTXEY-KRWDZBQOSA-N 308.425 4.561 30 20 DJED C=CCN(C(=O)Nc1cc(-c2ccc(C)o2)ccc1C)C(C)C 797655435 KSANORCPTXXUNS-UHFFFAOYSA-N 312.413 4.992 30 20 DJED CC(C)(C#N)[C@H]1CCCC1=NNc1cc(Cl)nc(Cl)c1 819828756 PGKAQUOGCFYFIY-JTQLQIEISA-N 311.216 4.506 30 20 DJED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(Cl)cc1O 841747608 CXROCODDQRQKEL-CXAGYDPISA-N 314.816 4.741 30 20 DJED O=C(/C=C\c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 916129131 WIPGOPHCSNLSAA-XFXZXTDPSA-N 309.384 4.712 30 20 DJED CCC(=NNc1ccc(Cl)c(C(=O)O)c1)c1ccc(C)cc1 916259515 MNBHREHGHPSPQK-UHFFFAOYSA-N 316.788 4.573 30 20 DJED Clc1cccc(NN=Cc2cc(Br)cs2)c1 916267959 ALTOJHQNFGSEQA-UHFFFAOYSA-N 315.623 4.610 30 20 DJED O=C1/C(=C\c2ccccc2OC2CCCC2)Cc2ccccc21 920062911 FVSOAHUMPAYNFA-VKAVYKQESA-N 304.389 4.830 30 20 DJED CC[C@@H](C)[C@H](C)C(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1124963700 YZZKDTJTNBGRJC-KGLIPLIRSA-N 323.440 4.587 30 20 DJED Cc1cccc(C(C)C)c1NC(=O)c1cc(F)c(C#N)c(F)c1 1148704340 CQFURZNIVGVDQR-UHFFFAOYSA-N 314.335 4.521 30 20 DJED C[C@H]1CCCc2ccccc2[C@@H]1NCc1ccc(C#N)c(F)c1 1180623125 MZXMHZFGATWJSX-VBKZILBWSA-N 308.400 4.501 30 20 DJED CC(C)(C#N)c1ccccc1CN(Cc1cccc(F)c1)C1CC1 1190416441 DJFADOVKSWDKFE-UHFFFAOYSA-N 322.427 4.791 30 20 DJED CCCCN(C)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1203838721 DQIRXIWTIASAMD-UHFFFAOYSA-N 323.396 4.614 30 20 DJED CCC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 1214367947 MWWJLYKXOPLMCB-BLLLJJGKSA-N 319.836 4.692 30 20 DJED CC(C)[C@H]1CCCCCN1C(=O)C[C@@H](CC#N)c1ccccc1 1266690705 BKECJUAQAKAEHZ-RTBURBONSA-N 312.457 4.501 30 20 DJED N#Cc1ccc(F)cc1CSc1nc2ccc(F)cc2s1 1307395258 LVTJXTFKRMCWBN-UHFFFAOYSA-N 318.373 4.738 30 20 DJED CC(C)(c1cccc(Cl)c1)c1nnc(-c2cccc(C#N)c2)o1 1324182608 IXYFWDHBHCRRFB-UHFFFAOYSA-N 323.783 4.588 30 20 DJED C=CCC(C)(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)o1 1327366405 ZWKHWZGWQGNAIY-LLVKDONJSA-N 306.793 4.717 30 20 DJED C=C[C@@H](Cc1nnc(-c2cc3ccccc3o2)o1)c1ccccc1 1328325236 OPSIRHLLDHYIIO-AWEZNQCLSA-N 316.360 4.995 30 20 DJED Cc1c(C#N)cccc1NC(=O)[C@@H](CCc1ccccc1)C(C)C 1355858622 SJBLZLZJQNGHEE-IBGZPJMESA-N 320.436 4.710 30 20 DJED C[C@@H](OC(=O)c1ccc(OC(C)(C)C)cc1)c1ccc(C#N)cc1 1457192914 QMGIRQUVLFMHNS-CQSZACIVSA-N 323.392 4.654 30 20 DJED N#Cc1ccc(CN2CC3(CCCC3)[C@H]2c2ccccc2)s1 1460207657 MWJYTZJSRFXTEG-GOSISDBHSA-N 308.450 4.737 30 20 DJED Cc1ccc(C#N)cc1NC(=O)Nc1cccc(OC(C)(C)C)c1 1465799391 XFAZZKWLJIUJEM-UHFFFAOYSA-N 323.396 4.688 30 20 DJED Cc1ccc(-c2cc(CSc3cccc(F)c3C#N)on2)cc1 1473036986 FWCPKPIUSWGZQO-UHFFFAOYSA-N 324.380 4.953 30 20 DJED C[C@H](NC(=O)Nc1sccc1C#N)c1cccc2ccccc12 1476828114 DBCSDKFESDDVKT-LBPRGKRZSA-N 321.405 4.656 30 20 DJED CCc1cc(C)cc(CC)c1NC(=O)c1cc(C#N)ccc1C 1520039304 RIASELFQEWPYFW-UHFFFAOYSA-N 306.409 4.552 30 20 DJED Cc1ccc(C#N)cc1C(=O)N[C@H](C)c1cc2ccccc2s1 1523194652 UXDXIRUTNREUBQ-CYBMUJFWSA-N 320.417 4.572 30 20 DJED CC(C)[C@@H]1CCc2c(sc(NC(=O)CC(C)(C)C)c2C#N)C1 1523679640 XJICAYPWJBEOEQ-GFCCVEGCSA-N 318.486 4.755 30 20 DJED CC(C)Cc1ccc([C@H](C)C(=O)O[C@H]2CCC[C@H](C#N)C2)cc1 1528080780 KFPUFFWGCIOAFQ-IEZWGBDMSA-N 313.441 4.614 30 20 DJED CCC[C@@H](CC1CCCCC1)C(=O)N1CCc2cc(C#N)ccc21 1584800208 LIWVNULCRBKPIR-IBGZPJMESA-N 324.468 4.834 30 20 DJED Cc1ccc(CN(Cc2ccc(F)c(C#N)c2)CC(C)C)c(C)c1 1646368314 VZLVSWAOKBJKLI-UHFFFAOYSA-N 324.443 4.972 30 20 DJED Cc1nc(NCc2ccc(Oc3ccccc3)cc2)ccc1C#N 1651467492 AMAPUXGFDOKYHD-UHFFFAOYSA-N 315.376 4.666 30 20 DJED Cc1ccccc1[C@H]1CCCN1Cc1ccc(Cl)cc1C#N 1652308489 ZDTGBCCLPDFGAC-LJQANCHMSA-N 310.828 4.857 30 20 DJED N#Cc1ccc(CN(Cc2ccc3ccccc3c2)C2CC2)s1 1652338826 STOFOWSBKCNLHM-UHFFFAOYSA-N 318.445 4.938 30 20 DJED Cc1cc(SCc2cc(-c3ccccc3)on2)ccc1C#N 1656667275 RGGUMHREYJEWSO-UHFFFAOYSA-N 306.390 4.814 30 20 DJED CCN(CCC(C)(C)C#N)[C@@H](Cc1ccc(F)cc1)C(C)C 1657416461 YDKXGSXIABFKRO-SFHVURJKSA-N 304.453 4.655 30 20 DJED O=C(/C=C\c1ccc(/C=C\C(=O)c2ccco2)cc1)c1ccco1 34806531 NZUQBRSPJPOUOM-HWAYABPNSA-N 318.328 4.665 30 20 DJED CCCCOc1ccc(/C=C/C(=O)c2cnn(C(C)C)c2)cc1 58465411 CNSDFLCEIRPZPU-DHZHZOJOSA-N 312.413 4.539 30 20 DJED Cc1nn(C)c(C)c1C(=O)/C=C/c1ccc(-c2ccccc2)s1 64926026 SZBDXDDNICTUQS-PKNBQFBNSA-N 322.433 4.662 30 20 DJED N#Cc1c(Cl)nsc1Oc1ccc(-c2ccccc2)nc1 92694558 LIEZKXMZULRQIU-UHFFFAOYSA-N 313.769 4.522 30 20 DJED CCCCCCCC(=O)Nc1ccc(C(=O)N[C@@H](C)CC)cc1 100296808 DBLQOSNBEFTPAA-HNNXBMFYSA-N 318.461 4.514 30 20 DJED CC(C)c1cccc2c1OCCC[C@H]2NCc1cccc(C#N)c1 121879666 ACBRGLTXCZBIKT-HXUWFJFHSA-N 320.436 4.685 30 20 DJED Cc1ccccc1CN(Cc1cccnc1)CC(C)(C)CCC#N 289427071 KBFHQSDCKISMII-UHFFFAOYSA-N 321.468 4.722 30 20 DJED COc1ccc([C@H]2CCCN2c2c(Cl)cccc2C#N)cc1 301370189 SFVRWATYUVDVTJ-QGZVFWFLSA-N 312.800 4.562 30 20 DJED Cc1nc(C)c(C#N)c(S[C@@H](C)c2ccc3ccccc3c2)n1 303011381 XAWMGIPXZBWFID-ZDUSSCGKSA-N 319.433 4.972 30 20 DJED CCC(C)(C)C1CCC(Nc2cccc(OCC#N)c2)CC1 315888574 PGZADULRHYUMDY-UHFFFAOYSA-N 300.446 4.996 30 20 DJED CC[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(C#N)cc1Cl 426153840 PICSUVOCQSFNMX-CZUORRHYSA-N 319.836 4.644 30 20 DJED C=CCN(Cc1cccs1)C(=O)C(C)(C)c1ccc(C)cc1 448133956 FEJNFZSUBNBBMB-UHFFFAOYSA-N 313.466 4.549 30 20 DJED N#Cc1ccc(C2=CCN(Cc3ccc(C(F)F)cc3)CC2)cc1 461392839 ZBDGLPUKJHZLOZ-UHFFFAOYSA-N 324.374 4.785 30 20 DJED N#Cc1cc(F)ccc1NCc1nc2cc(Cl)ccc2s1 462366784 ARXKTTVLBWKAIP-UHFFFAOYSA-N 317.776 4.573 30 20 DJED CC#CCCCC(=O)Nc1cccc(COC(C)(C)CC)c1C 466639928 FKJXEXLDCLLTTK-UHFFFAOYSA-N 315.457 4.832 30 20 DJED N#Cc1ccccc1OC1CCC(N[C@@H]2CCC23CCCC3)CC1 474080569 LHXUABWBNVYBDI-AFMYVXGZSA-N 324.468 4.561 30 20 DJED CC(C)CCN(CCC#N)C(=O)c1ccc(-c2ccccc2)cc1 505187491 OBFFFFVEJGYGPU-UHFFFAOYSA-N 320.436 4.756 30 20 DJED C=C(C)CN(CC)C(=O)[C@H](C)S[C@H](CC)c1ccccc1 507750079 MJJOGJDYYBCUQY-DOTOQJQBSA-N 305.487 4.684 30 20 DJED C=CCC[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccccc1 517064007 WLJPPPLGOQQWPV-KRWDZBQOSA-N 307.353 4.586 30 20 DJED C=CCN(CC=C)C(=O)[C@@H](C)S[C@@H](CC)c1ccc(F)cc1 523389408 RQBHDZPRKKKXOL-PBHICJAKSA-N 321.461 4.599 30 20 DJED C=CC[C@H](C)NC(=O)CCCc1ccc2c(c1)-c1ccccc1C2 523968172 BGPPIFMNDOBINS-INIZCTEOSA-N 319.448 4.661 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc(CSC)cc1)c1ccccc1 536115357 NFTVVAPLLPAYCY-INIZCTEOSA-N 311.450 4.848 30 20 DJED Cc1ccsc1[C@@H](Cc1ccccc1)NCCC(C)(C)C#N 541595508 AQKVFFAEHRHHGX-QGZVFWFLSA-N 312.482 4.870 30 20 DJED Cc1ccccc1[C@@H]1CCCN1c1ncc(Cl)c(C)c1C#N 543136262 NYIUAAQUYSZBKV-KRWDZBQOSA-N 311.816 4.565 30 20 DJED C[C@H](CC(C)(C)c1c[nH]c2ccccc12)NCC1(CC#N)CC1 550932954 YXCYABJLTVSZDJ-OAHLLOKOSA-N 309.457 4.508 30 20 DJED CCC(CC)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609063779 BEAKOTQBQQXFQH-UHFFFAOYSA-N 322.408 4.512 30 20 DJED Cc1cc(C#N)ccc1CN[C@@H](c1ccc(F)cc1)C(C)(C)C 614402772 HWRMCDBSMMOWNA-IBGZPJMESA-N 310.416 4.883 30 20 DJED O=C1/C(=C\c2ccc(N3CCCCC3)cc2)CCc2sccc21 726891160 GTGNAFJMMHYQAH-PEZBUJJGSA-N 323.461 4.951 30 20 DJED C=CCN(C(=O)c1sc2cc(C)ccc2c1Cl)C(C)C 729175348 TZROJIBKVJDIDC-UHFFFAOYSA-N 307.846 4.900 30 20 DJED N#CCOc1ccc(CN2CCC[C@H]2CC2CCCCC2)cc1 731211947 KFGPOCAYXIOPLG-IBGZPJMESA-N 312.457 4.524 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)C[C@@H]2CCC[C@@H](C)C2)n1 747194352 YYESKPWJMYTYOQ-MCIONIFRSA-N 304.459 4.659 30 20 DJED Cc1ccsc1C(=O)/C=C/c1ccc(OC(F)F)c(F)c1 754686687 VVYLPJPDTJNWLD-DUXPYHPUSA-N 312.312 4.693 30 20 DJED C=CCC[C@H](N[C@@H]1CC[C@@H]2SCCS[C@H]21)c1ccccc1 775414491 MVPSXBXRFPKIBA-MHORFTMASA-N 319.539 4.663 30 20 DJED Fc1cccc(C2CC(=NNc3nc4ccccc4s3)C2)c1 781573478 GQYPBWJYHZPZCJ-UHFFFAOYSA-N 311.385 4.781 30 20 DJED C/C=C(/CC)C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 789626601 QCUUFMCMSZAACG-BASWHVEKSA-N 322.433 4.680 30 20 DJED CC1(CC(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)CCCCC1 797569568 SKBSNNQSMGPJKL-CYBMUJFWSA-N 318.486 4.977 30 20 DJED Cc1ccc(C[S@](=O)CCCCC2(C#N)CCC2)c(Cl)c1 899408477 ZBKOCRGRADQPOV-OAQYLSRUSA-N 323.889 4.761 30 20 DJED CCC1CCC(N(C(=O)/C=C\c2ccccc2C#N)C2CC2)CC1 914490421 PCXKSCZROWJQAQ-ZROIWOOFSA-N 322.452 4.531 30 20 DJED Cc1ccc(-c2n[nH]cc2/C=C\C(=O)c2cccc(C)c2)cc1 920065521 ZSMXJAXJXTVFDM-KHPPLWFESA-N 302.377 4.590 30 20 DJED CCCC[C@@H](NCc1cccc(OCC#N)c1)c1ccccc1 1116459474 GPPWTLCLZLZTOM-HXUWFJFHSA-N 308.425 4.610 30 20 DJED Cc1ccc([C@H](C)CN(Cc2ccc(C#N)cc2)C2CC2)cc1 1180317761 NLPCFDNVKNJYRQ-QGZVFWFLSA-N 304.437 4.635 30 20 DJED Cc1ccccc1CCCN(Cc1ccc(C#N)cc1)C(C)C 1190635850 RVXIZERKNSNYEV-UHFFFAOYSA-N 306.453 4.710 30 20 DJED C[C@@H](CC(C)(C)C#N)NCC1(c2cccc(F)c2F)CCCC1 1205408957 FQUPKVQIVHGCFU-AWEZNQCLSA-N 320.427 4.695 30 20 DJED CCNc1ccc(C#N)cc1NC(=O)[C@H](C)CC1CCCCC1 1295029727 MRBQMFINHYYIFQ-CQSZACIVSA-N 313.445 4.535 30 20 DJED N#Cc1ccc(CN2CCCc3c2cccc3C(F)(F)F)s1 1307865292 MSHNSZMRKCAQHG-UHFFFAOYSA-N 322.355 4.591 30 20 DJED N#Cc1cccc(-c2nnc(-c3ccc(Cl)c(Cl)c3)o2)c1 1322584835 FTOYPHIGXMUOGE-UHFFFAOYSA-N 316.147 4.582 30 20 DJED Cc1cc(C#N)cc(NC(=O)N[C@H]2CCC[C@H](C(C)C)CC2)c1 1476740405 LGYMMUMLUYVSBJ-IRXDYDNUSA-N 313.445 4.593 30 20 DJED CC[C@H](C)CC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1529907894 WRCPUYWNXWRQNB-AWEZNQCLSA-N 308.381 4.725 30 20 DJED Cc1ccc(C)c([C@@H](C)OC(=O)[C@@H](CC#N)c2ccccc2)c1 1537747606 VSWHNJUOAOXUFH-AEFFLSMTSA-N 307.393 4.605 30 20 DJED Cc1cc(C(C)(C)C)cc(C)c1CCNc1ccnc(C#N)c1 1559055042 VKORUUHFLIVUPU-UHFFFAOYSA-N 307.441 4.522 30 20 DJED Cc1ccnc(NCC2CCC(c3ccccc3)CC2)c1C#N 1559101807 WICWVEOUGAXXRD-UHFFFAOYSA-N 305.425 4.648 30 20 DJED Cc1c(C#N)cccc1C(=O)N1CC[C@@H](CC(C)(C)C)C1(C)C 1584833907 KTZHLOPDMZYHNU-INIZCTEOSA-N 312.457 4.544 30 20 DJED N#Cc1ccc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1Br 1639474620 PDCCRRFUHGMVJO-MBNYWOFBSA-N 319.246 4.701 30 20 DJED N#Cc1ccc(Nc2ccc(CCCc3ccccc3)cc2)nc1 1642199116 SWTRREPPLNXRBU-UHFFFAOYSA-N 313.404 4.872 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@@H]1CCCCC1(F)F 1652554756 JHMBMJBYVGJCGT-KSZLIROESA-N 318.411 4.584 30 20 DJED Cc1ccc([C@H]2CCCCN2Cc2ccc(F)c(C#N)c2)cc1 1652568176 OKQCJHJOGLQCOL-HXUWFJFHSA-N 308.400 4.733 30 20 DJED N#Cc1nc(N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)sc1Cl 1655443740 UOGPZTJSAWLMDI-ZYHUDNBSSA-N 321.808 4.555 30 20 DJED Cc1nc(NCc2ccc(C)c3ccccc23)c(Cl)cc1C#N 1655573779 RJKMTNISIIGYJY-UHFFFAOYSA-N 321.811 4.989 30 20 DJED N#Cc1ccc(CNCC2(c3ccc(F)cc3)CCCCC2)cc1 1661132614 QJFBAVVOVJHJQY-UHFFFAOYSA-N 322.427 4.689 30 20 DJED CC[C@H]1[C@H](C)CCN1C(=O)Nc1scc(C(C)(C)C)c1C#N 1662084824 QKPZWOICFONLSY-RISCZKNCSA-N 319.474 4.570 30 20 DJED O=C(O)c1ccc2scc(/C=C\C(=O)C3CCCCC3)c2c1 1777685680 UEMLBZSAWUIWRK-VURMDHGXSA-N 314.406 4.762 30 20 DJED N#C[C@@H](C(=O)C1CCCCC1)c1nc(-c2ccccc2)cs1 42654079 ZVJIIERHBDIHAX-HNNXBMFYSA-N 310.422 4.567 30 20 DJED Cc1cccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1C 66800537 RORUBXDOSSCXDR-CQSZACIVSA-N 324.449 4.950 30 20 DJED C[C@H](C#N)CSc1ccccc1N[C@H](C)c1ccc(C#N)cc1 118443356 DQZLZMPKJZQRID-HUUCEWRRSA-N 321.449 4.983 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 120807649 ZGNDPJHLSVWIIG-UHFFFAOYSA-N 310.397 4.665 30 20 DJED C=C[C@H](CC(=O)N(C)[C@H](C)c1ccc(OC)cc1)c1ccccc1 129171636 AAMAMYUXAUXGRK-IAGOWNOFSA-N 323.436 4.575 30 20 DJED N#CCOc1cc(F)ccc1NCc1ccc(-c2ccccc2)o1 181546573 MPMGQVVMBTZVJV-UHFFFAOYSA-N 322.339 4.600 30 20 DJED C[C@H](NCCCC(C)(C)C#N)c1ccc(OC(F)(F)F)cc1 182509419 LTWCMGWJCJRYPS-LBPRGKRZSA-N 314.351 4.566 30 20 DJED Cc1c([C@H](C)N[C@H](CCC#N)c2ccccc2)cnn1C(C)(C)C 191388513 HNCIEXNRYGYMEN-HNAYVOBHSA-N 324.472 4.642 30 20 DJED CC(C)Oc1ccccc1/C=C\C(=O)c1ccc(F)c(F)c1 206083266 XORCAPXAGOLPDB-NTMALXAHSA-N 302.320 4.648 30 20 DJED O=C(/C=C\c1cccc(-c2cccnc2)c1)c1ccc(F)cc1F 255064254 QFTCNYZBKPZKMF-TWGQIWQCSA-N 321.326 4.923 30 20 DJED CCCn1ccc2ccc(N=C(O)[C@@H]3CCC(=O)[C@@H](C)C3)cc21 328905027 JTLXOVWNYAMLIO-DZGCQCFKSA-N 312.413 4.645 30 20 DJED O/C(Cc1coc(-c2ccccc2)n1)=N/[C@H]1CC12CCCCC2 329134340 ZQBFQJWHWIZJBE-INIZCTEOSA-N 310.397 4.563 30 20 DJED C/C=C/c1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1 353278376 ZYPDGYCUIOSPPB-DBKQCEECSA-N 319.408 4.886 30 20 DJED CC(C)c1ccc(NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1 425617488 BSEVPXCTQNBBFJ-HNNXBMFYSA-N 321.424 4.907 30 20 DJED N#CCC1(CN[C@H](CCc2ccccc2)c2ccccc2)CC1 430736696 FKYYKBRBPZOWGU-HXUWFJFHSA-N 304.437 4.644 30 20 DJED C=CCC(C)(C)CNC(=O)Nc1ccc(F)cc1C(F)(F)F 432864054 GRCTZEGMGDKGMW-UHFFFAOYSA-N 318.314 4.568 30 20 DJED C[C@H](NC1CCC(C)(C#N)CC1)c1ccc(Br)cc1 449062668 JSBOWMNWVXRDEZ-JQRITLKVSA-N 321.262 4.572 30 20 DJED Cc1cc([C@@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)ccc1F 453264541 VWUGOVGTCVRMIS-OLZOCXBDSA-N 300.352 4.557 30 20 DJED CC(C)=CCC[C@@H](C)NC(=O)Nc1ccc(CC#N)cc1Cl 455732322 MHFRIBUGIGKEFD-CYBMUJFWSA-N 319.836 4.662 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc(OC)c(SC)c1 459780389 TZKZZNPQRYTWRC-UHFFFAOYSA-N 322.474 4.627 30 20 DJED CC(C)c1cnc(-c2ccc(N[C@@H]3CCC[C@@H](C#N)C3)cc2)o1 463277748 DUSOQUFVDUMVNI-RHSMWYFYSA-N 309.413 4.959 30 20 DJED CC(C)(C#N)CCCSc1cc2c(cc1Cl)OCCO2 475930474 PQVNRHVGPIWIBC-UHFFFAOYSA-N 311.834 4.533 30 20 DJED C=CCC[C@@H](C(=O)Nc1ccc(OC)cc1C)c1ccccc1 488330399 LAAKIMZXSSWEAJ-GOSISDBHSA-N 309.409 4.692 30 20 DJED C[C@@H](NCc1ccc(Oc2ccccc2)o1)c1ccc(C#N)cc1 503568239 GNMAGYOOYIGUHF-OAHLLOKOSA-N 318.376 4.794 30 20 DJED Cc1ccc(-c2ncc(/C=C\c3ccncc3C#N)s2)cc1 504730655 NEJNPOPOXWMDLK-SREVYHEPSA-N 303.390 4.556 30 20 DJED CCC[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCCC2 515677659 PUOHXPNOALROSW-GFCCVEGCSA-N 304.459 4.653 30 20 DJED C=CCC[C@@H](NC(=O)N(CC)CCC1CC1)c1ccccc1 546219236 AYCJLZITIUBNSZ-GOSISDBHSA-N 300.446 4.526 30 20 DJED C[C@H](NCCc1cc2ccccc2s1)c1cccc(C#N)c1 550883430 ZMALWVNWIKLBAG-AWEZNQCLSA-N 306.434 4.666 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)c2ccc3c(c2)CCC=C3)cc1 551310006 ZNDSJCNINLVHSZ-UHFFFAOYSA-N 316.404 4.699 30 20 DJED C=C(CC)Cn1ccc(=O)c2cc(Oc3ccccc3)ccc21 579531529 BUYKQOSUPDYPRO-UHFFFAOYSA-N 305.377 4.760 30 20 DJED C=CC[C@H](C)NC(=O)N1CCC[C@H]1c1cccc2ccccc12 604900786 JTBKEXGFZSKSEX-KXBFYZLASA-N 308.425 4.651 30 20 DJED CC[C@H](CC#N)NC(=O)Nc1ccc(Oc2ccccc2)cc1C 613855428 YPYRWGWLTMJKMV-OAHLLOKOSA-N 323.396 4.601 30 20 DJED C=CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(SCC)c1 639405574 ZSVSMYXWKPEERV-SFHVURJKSA-N 324.449 4.551 30 20 DJED CC(=NNc1cccc2cnccc12)c1cc2ccccc2o1 728432004 KOGZESOLUMMFBN-UHFFFAOYSA-N 301.349 4.817 30 20 DJED O=C1/C(=C/c2ccc(N3CCCCC3)cc2)Cc2cc(F)ccc21 734305643 ZACCZNXEZZFLKL-SFQUDFHCSA-N 321.395 4.638 30 20 DJED CCCCCCCCC(=O)N[C@@](C)(CC)c1nc(C)cs1 741616898 RTNGVFLQMLOJBA-KRWDZBQOSA-N 310.507 4.944 30 20 DJED CCCCCC[C@H](C)C(=O)Nc1cc(C#N)ccc1OC(C)C 741909828 LTPGHPCUIPFHHH-HNNXBMFYSA-N 316.445 4.890 30 20 DJED CC(C)(C(=O)OCCCCC#N)c1ccc(-c2ccccc2)cc1 751925527 DMTHPNZLMIGISG-UHFFFAOYSA-N 321.420 4.868 30 20 DJED Cc1cccc2nc([C@@H](C#N)C(=O)C[C@@H]3CCCCC3(C)C)[nH]c12 752504061 DZXGBQJQPGVYNL-GJZGRUSLSA-N 323.440 4.654 30 20 DJED N#CCOc1cc(F)ccc1N[C@H]1CCCCc2ccccc21 760219317 LJCVDJOXQCWJPN-KRWDZBQOSA-N 310.372 4.608 30 20 DJED CCCC1(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)CC1 761046849 LCZZOFPOOIUZPI-LLVKDONJSA-N 318.829 4.706 30 20 DJED CC[C@H](Nc1ccc(OC(C)C)c(OC)c1)c1ccc(C#N)cc1 774348019 IMBSSPVAXGGPDQ-SFHVURJKSA-N 324.424 4.917 30 20 DJED C[C@@H]1CC(=NNc2ncncc2Cl)C[C@@H](c2ccccc2)C1 780280958 BEXKCIRTFDWOCX-JSGCOSHPSA-N 314.820 4.502 30 20 DJED Cc1c(C(=O)/C=C/c2ccc(F)cc2Cl)cnn1C(C)(C)C 787185961 DODKVFDHVIJFPO-SOFGYWHQSA-N 320.795 4.635 30 20 DJED C=CC[C@@H](NC(=O)c1csc2cc(C)ccc12)c1ccncc1 795102148 BCOLOMPFTAZKES-QGZVFWFLSA-N 322.433 4.652 30 20 DJED Cc1cc(C(=O)/C=C/c2cc(Br)cs2)oc1C 799898250 XCTCWVWPCIEDAC-ONEGZZNKSA-N 311.200 4.617 30 20 DJED Cc1ccc(OC(F)F)c(/C=C/C(=O)c2coc(C(C)C)n2)c1 806558132 STJNYVKOFSHUOA-AATRIKPKSA-N 321.323 4.604 30 20 DJED CC(/C=C/C(=O)c1cscn1)=C\c1ccccc1OC(F)F 811694246 QVSAXMZKKQSJFD-HRCSPUOPSA-N 321.348 4.587 30 20 DJED CC1(C)C[C@H](NN=C2CCCC[C@@H]2C2CCCCC2)CCO1 814908300 MWIBFZXJQZFNHR-IAGOWNOFSA-N 306.494 4.660 30 20 DJED Fc1cccc(Cl)c1CC(=NOC1CCC1)c1ccoc1 814936296 JJFRPSLLALBBJC-UHFFFAOYSA-N 307.752 4.588 30 20 DJED CCC(C#N)(CC)C(=O)Nc1ccc(SC(C)(C)C)cc1 859101186 PWLAAMSEJXBZRJ-UHFFFAOYSA-N 304.459 4.846 30 20 DJED C[C@H](/N=C\c1cc(Cl)cc(Cl)c1O)c1ccc(C#N)cc1 915112739 DNATYZWEISWBNQ-ZFKRWFGPSA-N 319.191 4.751 30 20 DJED Cc1cc(C)c2c(c1)C(=NNc1nccc3sccc13)CCO2 920375104 PDRRHBCFVFXGKF-UHFFFAOYSA-N 323.421 4.512 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C1[C@H]2CCCCCC[C@H]12 1124922731 VMKPIEXXBWGNAF-OALUTQOASA-N 324.468 4.512 30 20 DJED CC[C@@H](C)c1ccc([C@@H](Nc2cc(C#N)nc(C)n2)C(C)C)cc1 1162020900 QZUQWOZNRFYCQP-VLIAUNLRSA-N 322.456 4.979 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1NC[C@H]1CCCC1(F)F 1186480066 WURLEHXDOVFYEA-LLVKDONJSA-N 321.758 4.607 30 20 DJED C[C@@H]1CN(CCC2(C#N)CCCCC2)c2cc(Cl)ccc2O1 1191258985 QYFDZDHJPOVNHB-CQSZACIVSA-N 318.848 4.791 30 20 DJED CCC(C)(C)C1CCC(CC(=O)Nc2cc(C#N)ccn2)CC1 1269436360 JJHCSJGCVRWWLN-UHFFFAOYSA-N 313.445 4.524 30 20 DJED C[C@@H]1CCCC[C@H]1CNc1c(C#N)cnc2c(Cl)cccc12 1306951780 RVTPDYYKGVIUFH-OLZOCXBDSA-N 313.832 4.998 30 20 DJED Cc1cc(CN2CCCC(C)(C)c3ccccc32)ccc1C#N 1308795654 OMCRECWLRBLOGH-UHFFFAOYSA-N 304.437 4.945 30 20 DJED CC(C)[C@@H](C#N)C=NNc1c(Cl)cc(Cl)cc1Cl 1319380820 MMILRRVMOOILBJ-QMMMGPOBSA-N 304.608 4.840 30 20 DJED COc1ccc(/C=C(/C)c2ccc3ccccc3n2)cc1C#N 1321259842 NLAUBBCDWRGUDF-KAMYIIQDSA-N 300.361 4.676 30 20 DJED N#CC1(Cc2nnc(-c3ccc(Cl)cc3F)o2)CCCCC1 1330119857 FQSXPFFFJFVSGQ-UHFFFAOYSA-N 319.767 4.546 30 20 DJED CC(=NNc1ccc(C)c(Cl)c1)c1cc([N+](=O)[O-])ccc1C 1339360727 HSHRREGGJXXESA-UHFFFAOYSA-N 317.776 4.701 30 20 DJED N#Cc1cccc(-c2nnc(-c3ccc(C4CCC4)cc3)o2)c1 1346033535 IEHTUAIMSMTTTJ-UHFFFAOYSA-N 301.349 4.543 30 20 DJED Cc1sc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c(C#N)c1C 1353587207 QSWAILLIMSLTMB-RBSFLKMASA-N 316.470 4.782 30 20 DJED N#Cc1cccc(SCC(=O)c2c(Cl)cccc2Cl)c1 1458982942 VTWWKQLGQAJPFA-UHFFFAOYSA-N 322.216 4.840 30 20 DJED C=C(Cl)CN(Cc1ccccc1C(F)(F)F)CC1CC1 1460097579 GVYQUTRVUOVZPH-UHFFFAOYSA-N 303.755 4.670 30 20 DJED C[C@H](NCc1ccc(C#N)s1)C1(c2ccccc2)CCCC1 1473394675 CIQVXNWNBFIYIS-HNNXBMFYSA-N 310.466 4.610 30 20 DJED Cc1c(C#N)cccc1C(=O)NC(C)(C)CC1CCCCCC1 1523273853 XBSFORSVFBNKRJ-UHFFFAOYSA-N 312.457 4.736 30 20 DJED CC[C@H](CC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C(C)C 1526613161 NTUJOCQSUXLCCD-CQSZACIVSA-N 316.445 4.746 30 20 DJED C[C@H]1CCCN(C(=O)Nc2cc(C#N)ccc2F)c2ccccc21 1562917201 MNVDMFLVEKMYBS-ZDUSSCGKSA-N 323.371 4.633 30 20 DJED C[C@@H]1c2c(sc(NC(=O)CCCC3CC3)c2C#N)CC[C@H]1C 1584029800 XPNNAOBGIHRUAK-NEPJUHHUSA-N 316.470 4.824 30 20 DJED CC(C)(C)c1ccc([C@H]2CCCN2c2cccc(C#N)n2)cc1 1611820856 DEIXQTLMVXWDLR-GOSISDBHSA-N 305.425 4.592 30 20 DJED CC(C)(C)c1ccc2c(c1)CCN(Cc1cccc(C#N)c1F)C2 1615362694 CISGFYRDDWUYCT-UHFFFAOYSA-N 322.427 4.553 30 20 DJED N#Cc1ccc(NC(=O)NCC2CCCCCCC2)c(Cl)c1 1623230531 YKGMSLNFLMHXBT-UHFFFAOYSA-N 319.836 4.694 30 20 DJED CC(C)CC[C@H](Nc1cncc(C#N)n1)c1ccc(Cl)cc1 1642099513 ALCUURXQKQOEDW-INIZCTEOSA-N 314.820 4.591 30 20 DJED CCCCN(CCCC)Cc1ccc(C#N)cc1Br 1644715954 KKMCJLKFEKXCOF-UHFFFAOYSA-N 323.278 4.723 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2CCCC3(CCCCC3)C2)n1 1651495363 DNYAFGPDIHCXGH-UHFFFAOYSA-N 311.473 4.801 30 20 DJED CCC[C@@H]1CCCN(c2c(C#N)cnc3c(Cl)cccc23)C1 1651622854 PQEHSBOKDFAJKP-CYBMUJFWSA-N 313.832 4.776 30 20 DJED CC(C)(C)c1ccc(C#N)c(NCc2ccc3occc3c2)n1 1652024484 XXRKBZCZZIQXMM-UHFFFAOYSA-N 305.381 4.609 30 20 DJED CC[C@H]1CN(Cc2cccc(C#N)c2F)CC[C@H]1c1ccccc1 1652659591 WEYKXENWSSZSRE-OXJNMPFZSA-N 322.427 4.713 30 20 DJED N#Cc1ccc(CN(Cc2ccc(C3CCC3)cc2)C2CC2)cc1 1659197419 MTQLCNBVCXOEJM-UHFFFAOYSA-N 316.448 4.990 30 20 DJED CC(C)c1ccc(C(C)(C)NC(=O)Nc2cccc(C#N)c2)cc1 1665582722 QJFMXJJXONSSJK-UHFFFAOYSA-N 321.424 4.738 30 20 DJED Cc1ccc(C)c(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 6472270 XSXJILKIISWMBY-UHFFFAOYSA-N 324.449 4.758 30 20 DJED C[C@@H](NCc1cc(C#N)ccc1F)c1cccc2ccccc12 120123807 RVZHPAYQGGRDNQ-CQSZACIVSA-N 304.368 4.701 30 20 DJED CC(C)(CCC#N)CNc1cccc(C2SCCS2)c1 158300128 IGJLBUNYXVXMBM-UHFFFAOYSA-N 306.500 4.907 30 20 DJED C[C@@H](NC[C@H](c1ccccc1)C(F)(F)F)c1ccc(C#N)cc1 186840973 PFMQBRMKAIVCEN-CXAGYDPISA-N 318.342 4.555 30 20 DJED COc1cc(/C=C/C(=O)c2cc3ccccc3s2)ccc1O 187233052 VKYHSQUNVUGNAJ-VQHVLOKHSA-N 310.374 4.512 30 20 DJED Cc1cccc(NC(=O)CS[C@@H](C)c2cccc(C#N)c2)c1C 190896415 DMKJHCZQYMGJKG-HNNXBMFYSA-N 324.449 4.608 30 20 DJED Cc1c(Cl)cccc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 193839164 CQSYFQHOLRPIDH-GFCCVEGCSA-N 318.829 4.718 30 20 DJED N#Cc1cccc(CNc2cccc(Cl)c2Br)c1 236052437 PKMGQMXARDMLHR-UHFFFAOYSA-N 321.605 4.586 30 20 DJED N#CCc1ccc(NCc2cc(Cl)ccc2OC(F)F)cc1 237815403 AEXSZXNHPHLPOJ-UHFFFAOYSA-N 322.742 4.620 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1ccc(Cl)s1 277289137 MJIKXLVVKYZZDT-GFCCVEGCSA-N 317.882 4.695 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Cc1c(C)[nH]c2ccccc12 303467452 PTAHMNSEQRZHJF-UHFFFAOYSA-N 324.468 4.614 30 20 DJED CCCCCCCCC(=O)NCc1coc(-c2ccccc2)n1 303960634 WLMXIUGVQNOFJR-UHFFFAOYSA-N 314.429 4.708 30 20 DJED C[C@H](Nc1cccc(OCCCC#N)c1)c1ccncc1Cl 421837964 SUJZVUCELIPRGS-ZDUSSCGKSA-N 315.804 4.591 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1csc(C(C)(C)C)n1 425367029 ROYUJIXKXICDFN-CYBMUJFWSA-N 313.470 4.505 30 20 DJED N#CCCCC(=O)N[C@@H](c1cccc(Cl)c1)C1CCCCC1 462226542 ABFMCDAOOFQANK-GOSISDBHSA-N 318.848 4.771 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)CCc1ccc2ccccc2c1 471168965 KFCWINXFBWAPBG-UHFFFAOYSA-N 322.452 4.703 30 20 DJED Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c(C)cc1Cl 483481622 IFHQTKAZZAPZOZ-CYBMUJFWSA-N 324.767 4.588 30 20 DJED C=C(C)COc1cccc(NCc2cccc3cccnc23)c1 533208665 SRKVTHACMNIWAX-UHFFFAOYSA-N 304.393 4.802 30 20 DJED C=C[C@H](CC(=O)Nc1nc2ccsc2s1)c1ccccc1 534688667 SPQKGXPGGPIYPI-LLVKDONJSA-N 314.435 4.656 30 20 DJED C=C(C)[C@H](CC(=O)Nc1cccc(Nc2ccccc2)c1)OCC 535914434 LHVQYHUOSOKMLG-IBGZPJMESA-N 324.424 4.740 30 20 DJED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](C)CCC(C)(C)C 541607183 BZSLMXVYFKTAEY-INIZCTEOSA-N 312.457 4.535 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1c(F)cccc1Cl 549168942 OUIAFPASLKDTKL-UHFFFAOYSA-N 324.808 4.761 30 20 DJED N#CCCC1CCN(Cc2csc(Cl)c2Cl)CC1 576400285 DZPXDPZXFPZAQI-UHFFFAOYSA-N 303.258 4.571 30 20 DJED N#CCC[C@H](C#N)CN[C@@H](CC1CCCCC1)c1ccccc1 580769452 QMZADNFLPXWFBD-QUCCMNQESA-N 309.457 4.731 30 20 DJED C/C(=C/c1ccccc1OC(F)F)CNCC(C)(C)CCC#N 581280172 PMVMETHTABEJGG-KAMYIIQDSA-N 322.399 4.611 30 20 DJED CCOCc1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1 726428779 FDWCYNNOGDEWPL-UHFFFAOYSA-N 324.207 4.986 30 20 DJED C#Cc1cccc(NC(=S)Nc2ccc(O[C@@H](C)CC)cc2)c1 726476369 WMGDFQWOCDGZSJ-AWEZNQCLSA-N 324.449 4.654 30 20 DJED CCCCCCCCCN(C)C(=O)c1cc(C(C)=O)cs1 730174397 HDLGVXZPGRRQHW-UHFFFAOYSA-N 309.475 4.773 30 20 DJED Cc1ccc(-c2ncc(/C=C\C(=O)c3cccc(O)c3)s2)cc1 734306138 LJPJZOKIHZURLO-KTKRTIGZSA-N 321.401 4.720 30 20 DJED N#Cc1ccc(/C=C2\CCCc3ccc(Cl)cc3C2=O)cc1 735232277 KZMZMAZULVYNEV-MHWRWJLKSA-N 307.780 4.814 30 20 DJED CCCCCC[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 742070966 DGOFTSIDJYXLJX-OAHLLOKOSA-N 304.409 4.679 30 20 DJED CCCCCCCC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 752034534 QJGKNNHUXYPYQO-RTBURBONSA-N 312.457 4.645 30 20 DJED Cc1ccsc1C(=O)/C=C\c1sccc1Br 764916987 HPGWVJPQAAIXOB-IHWYPQMZSA-N 313.241 4.777 30 20 DJED Cc1csc([C@H](C#N)C(=O)CC2CCC(C(C)(C)C)CC2)n1 766234378 LTBYYHNAHVCTBK-YMAMQOFZSA-N 318.486 4.870 30 20 DJED CCCC(=NNc1cccc(C(F)(F)F)n1)c1ccsc1 785454877 XAEQBNGGALGNJX-UHFFFAOYSA-N 313.348 4.778 30 20 DJED CC1(C)/C(=C/c2cnc(-c3ccco3)s2)C(=O)c2ccccc21 789128223 OILZULRHVHZDQI-XNTDXEJSSA-N 321.401 4.961 30 20 DJED CSCC1CCC(=NNc2nc3ccccc3s2)CC1 834915145 XEUUUUFNPWJRRB-UHFFFAOYSA-N 305.472 4.617 30 20 DJED COCc1csc(/C=C2\C(=O)c3cccc4c3[C@@H]2CCC4)c1 849247750 XIGCYEPMVYZEFF-GESOSKEOSA-N 310.418 4.594 30 20 DJED C=CCCCCC[C@H](C)N[C@@H](C(=O)O)c1ccc(C)c(C)c1 901846165 UEFNJWIELAZGPH-FUHWJXTLSA-N 303.446 4.544 30 20 DJED C=CCN(C(=O)Nc1ccc(OCCC)c(Cl)c1)C(C)C 916713320 BSXYGACHQXZGFC-UHFFFAOYSA-N 310.825 4.557 30 20 DJED CC(C)c1ccc([C@@H](C)NN=Cc2cc(F)ccc2F)cc1 917553269 YWVJWJXAVWHRML-CYBMUJFWSA-N 302.368 4.773 30 20 DJED CC(C)COC(=O)Nc1cccc(N[C@H](C)CC(C)(C)C#N)c1 925776601 YFYJVUYRWCXVQW-CQSZACIVSA-N 317.433 4.631 30 20 DJED O=C(/C=C/c1ccc(N2CCCC2)cc1)c1c[nH]c2ccccc12 1115843426 HXMCPHONPQVSCC-FMIVXFBMSA-N 316.404 4.664 30 20 DJED CC[C@H](C)c1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1 1124283657 SZIDYABNBFUCCL-LBPRGKRZSA-N 324.449 4.874 30 20 DJED Cc1cc(CN2C[C@@H]3CCCC[C@@]32c2ccccc2)ccc1C#N 1204633796 ZFNSXHLVIAYSFN-FCHUYYIVSA-N 316.448 4.768 30 20 DJED CSCc1cccc(NC2CC(C#N)(c3ccccc3)C2)c1 1255466885 FWOWDFBILTZOAY-UHFFFAOYSA-N 308.450 4.585 30 20 DJED C[C@@H](CCC(=O)O[C@@H](C)c1cccc(C#N)c1)c1ccccc1 1266016659 RMZRDEKFXAUDFZ-HOTGVXAUSA-N 307.393 4.746 30 20 DJED C/C(=C/c1cccc(Cl)c1)c1nnc(-c2ccc(C#N)cc2)o1 1345866440 GWXYFBNQZHCFBE-XFXZXTDPSA-N 321.767 4.822 30 20 DJED CC(C)(C)c1cc(NC(=O)[C@@H]2CCCC2(C)C)c(C#N)s1 1358071727 IIZVJDPZXNCBEV-NSHDSACASA-N 304.459 4.682 30 20 DJED CC(C)[C@H](CCc1ccccc1)C(=O)O[C@H]1CCC[C@H](C#N)C1 1436649594 PUUQQNJDQLEFKB-FHWLQOOXSA-N 313.441 4.517 30 20 DJED Cc1cc(CN2CCCSc3ccc(F)cc32)ccc1C#N 1462309758 XUCNLRWEDBLTGZ-UHFFFAOYSA-N 312.413 4.508 30 20 DJED CCC[C@H]1CCCC[C@@H]1CNC(=O)Nc1cccc(C#N)c1C 1476267061 RFLWCIGRNHLWBA-DOTOQJQBSA-N 313.445 4.595 30 20 DJED N#C[C@H]1CCC[C@@H](OC(=O)Cc2ccc(-c3ccccc3)cc2)C1 1535479307 OQWKUCCEDQHUJC-FXAWDEMLSA-N 319.404 4.522 30 20 DJED C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)CC1(C#N)CCCCC1 1536543502 UODXPZTZYPIFJD-OXQOHEQNSA-N 324.468 4.680 30 20 DJED N#Cc1cnc(NCc2ccc(Cl)c(Cl)c2)c(Cl)c1 1559238471 KMNZFDXRNYMQJE-UHFFFAOYSA-N 312.587 4.526 30 20 DJED CCN(C[C@@H](C)c1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 1621174054 MGBJHYKILGHWJN-CVEARBPZSA-N 310.416 4.884 30 20 DJED CCOc1ccccc1[C@H](CC(C)C)Nc1ccc(C#N)c(C)n1 1642380042 AXMFBYGXGACEBX-SFHVURJKSA-N 323.440 4.860 30 20 DJED Cc1nc(N[C@@H](C)c2cc3ccccc3o2)c(Cl)cc1C#N 1642575072 LGCVFKAOTHRCRL-NSHDSACASA-N 311.772 4.834 30 20 DJED CC(C)(Cc1ccccc1Cl)Nc1ncc(C#N)cc1Cl 1650724155 OAZCWMVNNZSNAA-UHFFFAOYSA-N 320.223 4.693 30 20 DJED C[C@@H](CCC#N)CN(CCc1ccc(F)cc1)C1CCCC1 1651881388 WRJIXSJZIPSSRN-INIZCTEOSA-N 302.437 4.553 30 20 DJED Cc1cc(SCC(=O)c2ccc(Cl)s2)ccc1C#N 1652058810 VLVQZTHADIISHK-UHFFFAOYSA-N 307.827 4.557 30 20 DJED N#Cc1cccc(CN2Cc3ccccc3C[C@@H]2c2ccccc2)c1 1652944115 JBFXPPCEODZGKX-HSZRJFAPSA-N 324.427 4.858 30 20 DJED CN(Cc1ccc(CC#N)cc1)[C@H]1CCC[C@@H]1c1ccccc1 1653848485 UOGPNPDLRICCBU-RTWAWAEBSA-N 304.437 4.521 30 20 DJED CC(C)c1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 1657554910 WHJZDBXTGWRHMF-NRFANRHFSA-N 304.437 4.849 30 20 DJED CC[C@H](Cc1ccc(Cl)cc1)N[C@H]1CCc2cc(C#N)ccc21 1664566530 LTGWIZDBACBVEV-QUCCMNQESA-N 324.855 4.810 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NC[C@H]1CCCC(C)(C)C1 1776783357 SOZCJQVMYCBSFX-IRXDYDNUSA-N 311.510 4.996 30 20 DJED CC(C)(C)c1ccc(C/N=C(\S)NCc2ccccc2)cc1 13587937 NLCPBDHFYIQOEB-UHFFFAOYSA-N 312.482 4.560 30 20 DJED CCOc1cc(/C=C/C(=O)c2ccc(Cl)s2)ccc1OC 57437858 BFMOFBUELFVLJV-GQCTYLIASA-N 322.813 4.705 30 20 DJED Cc1ccccc1[C@H](NCc1ccc(O[C@@H](C)C#N)cc1)C(C)C 69879764 ZHHPTPIVCTVMJI-LAUBAEHRSA-N 322.452 4.773 30 20 DJED CCC[C@H](C(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)C 121738883 QQWHKTQKOMPMLT-GJZGRUSLSA-N 318.486 4.949 30 20 DJED CC[C@@H](C)Oc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)cc1 177555407 YFGUFFADJUOYGK-CVEARBPZSA-N 324.424 4.767 30 20 DJED COc1ccc(OC(C)C)c(N[C@H](C)c2cccc(C#N)c2)c1 179795045 KPPWKXXYDLHKGS-CQSZACIVSA-N 310.397 4.527 30 20 DJED COc1ccc(/C=C/C(=O)c2cc3ccccc3s2)cc1O 187232360 WZAWHGHKUAJAKR-SOFGYWHQSA-N 310.374 4.512 30 20 DJED Cc1ccc2cc(CN[C@H](CCC#N)c3ccccc3)ccc2n1 189403673 GTUQNPVCKQBGLE-HXUWFJFHSA-N 315.420 4.678 30 20 DJED CC1CCC(N(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 193047963 IMDOLELZRQUCEB-UHFFFAOYSA-N 313.445 4.530 30 20 DJED CC(C)(C)c1nc2cc(NCc3cccc(C#N)c3)ccc2o1 236732339 WACOJPAGTPNURC-UHFFFAOYSA-N 305.381 4.609 30 20 DJED Oc1ccccc1C=Nc1ccc(OCc2ccccc2)cc1 254745881 CCZOHCQQAGPMIX-UHFFFAOYSA-N 303.361 4.722 30 20 DJED C=C[C@H](CC(=O)N[C@H]1CCCc2sccc21)c1ccccc1 341302456 DILCHCCSCKXTQU-PBHICJAKSA-N 311.450 4.602 30 20 DJED Cc1ccc(NCc2ccc(Br)cc2C#N)cc1C 389457390 XWJSANCLSGIOGW-UHFFFAOYSA-N 315.214 4.550 30 20 DJED C[C@@H](Cc1ccccc1F)Nc1cccc(OCCCC#N)c1 391543962 YPYYZLZIAXBPPY-HNNXBMFYSA-N 312.388 4.551 30 20 DJED N#Cc1ccc(NC(=O)N[C@@H](c2ccccc2)C2CCCC2)cc1 409695879 RTOWOMWVXNLEAH-IBGZPJMESA-N 319.408 4.611 30 20 DJED N#Cc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c(Cl)c1 430379787 WOUWBRSUUOFPAL-UHFFFAOYSA-N 324.811 4.662 30 20 DJED CCN(C(=O)c1sccc1C1CC1)[C@H](C)c1ccc(C#N)cc1 432713803 MBMGHOYEYSZZHJ-CYBMUJFWSA-N 324.449 4.720 30 20 DJED N#CCCC[C@@H](NC[C@@H]1CCCC(F)(F)C1)c1ccccc1 433025723 AXDMMZSVRAEPKV-NVXWUHKLSA-N 306.400 4.837 30 20 DJED CC(C)(C#N)CCC[S@](=O)Cc1ccc(C2CCC2)cc1 447112173 UVHFJLBLLMVAET-NRFANRHFSA-N 303.471 4.533 30 20 DJED N#C[C@@H]1CC[C@H](Sc2ncc(-c3ccc(Cl)cc3)o2)C1 450768324 KYBIGFKPCDGILM-MFKMUULPSA-N 304.802 4.779 30 20 DJED C=C[C@H](CC(=O)Nc1scnc1C(C)C)c1ccccc1 456437898 MFAIIXSSKYGDSR-CYBMUJFWSA-N 300.427 4.565 30 20 DJED C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@@H]1c1cccc(C)c1 460393235 IIOZXZRYYUIPJP-GOSISDBHSA-N 324.472 4.628 30 20 DJED Cc1cc(Cl)ccc1NC(=O)[C@@H](C)SCCC(C)(C)C#N 461245783 LJIOTPSCUCHPKX-GFCCVEGCSA-N 324.877 4.649 30 20 DJED C=CCC(CC=C)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 467816639 HNUFJCSOLZOIRM-HXUWFJFHSA-N 323.411 4.800 30 20 DJED CCC[C@H](N[C@H]1CC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 471619022 MCBWLPQGMDTXEM-RCBQFDQVSA-N 310.363 4.828 30 20 DJED C=CCN(CC1CCCCC1)C(=O)N[C@H](C)c1ccccc1 483695326 GSTWPQOGIAFORA-MRXNPFEDSA-N 300.446 4.526 30 20 DJED Cc1ccc2sc(C(=O)N[C@@](C)(C#N)C(C)(C)C)c(C)c2c1 486141534 CZCAVTZHHFLWFY-SFHVURJKSA-N 314.454 4.576 30 20 DJED C=CCCCCCN(C)C(=O)Nc1sc(CCC)nc1C 486318540 JWOILFHOTAMUPF-UHFFFAOYSA-N 309.479 4.614 30 20 DJED CC(C)(C#N)c1ccccc1COc1c(F)c(F)cc(F)c1F 487191465 FBZMFDFHPDKPCU-UHFFFAOYSA-N 323.289 4.623 30 20 DJED Cc1ccc(Oc2ccccc2CNc2ccc(C#N)cn2)cc1 520734669 NGSSXUBOEQIIKD-UHFFFAOYSA-N 315.376 4.666 30 20 DJED Cc1cnc([C@@H](C)Nc2cccc(Oc3ccc(C#N)cc3)c2)o1 538875543 OBTRNEPJJXLBJZ-CQSZACIVSA-N 319.364 4.820 30 20 DJED C[C@H](NCc1ccccc1C#N)c1cc(F)c(Cl)cc1Cl 539242625 BZAKZQHFHBDPTA-JTQLQIEISA-N 323.198 4.855 30 20 DJED C[C@H]1CCCN(C(=O)c2ccc(Cl)c(C#N)c2)c2ccccc21 541658490 BVHRJPBWWCCKTE-ZDUSSCGKSA-N 324.811 4.756 30 20 DJED CC(C)N(CCC#N)Cc1cnc(-c2ccc(Cl)cc2)s1 551804464 AXZOEPOZVVXFFQ-UHFFFAOYSA-N 319.861 4.588 30 20 DJED C=CCCOCCCCC(=O)Nc1ccc(CC)c(Cl)c1 557132589 AHVCOBVROLSWAN-UHFFFAOYSA-N 309.837 4.604 30 20 DJED Cc1csc(NC(=O)C[C@@H](c2ccccc2)C(C)C)c1C#N 570005076 GDWBJISGCQEYMT-OAHLLOKOSA-N 312.438 4.697 30 20 DJED C=C[C@@H](CC(=O)N[C@@H]1CCC[C@H]1c1ccccc1)c1ccccc1 576724177 OAYMEZUICZYTPT-DZFGPLHGSA-N 319.448 4.799 30 20 DJED CCN(CCCCC#N)[C@H](C)Cc1ccc(C(F)(F)F)cc1 595869113 UPNJIAAGJUFETO-CQSZACIVSA-N 312.379 4.652 30 20 DJED N#CC[C@H](CC(=O)N1CC[C@@H](C2CCCCC2)C1)c1ccccc1 598154069 SRZWLCUQMCZFFS-WOJBJXKFSA-N 324.468 4.503 30 20 DJED N#Cc1cccc(C(=O)Nc2ccc(NC3CCCCC3)cc2)c1 604537855 HRAHWDUHXHKGQB-UHFFFAOYSA-N 319.408 4.555 30 20 DJED C=CCCCS[C@@H](C)C(=O)Nc1c(CC)cccc1CC 609804929 WRDPIHFCVNXXPR-AWEZNQCLSA-N 305.487 4.838 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NC1(c2ccccc2)CCC1 611469509 GUMGPHXDNUQSQN-FQEVSTJZSA-N 302.421 4.605 30 20 DJED CC(=NNC1CCCC1)c1sc(-c2ccc(C)cc2)nc1C 727652259 XFQQAWPPMGOHKB-UHFFFAOYSA-N 313.470 4.683 30 20 DJED O=C1/C(=C\c2coc(-c3ccccc3)n2)CSc2ccccc21 731835627 LCGSENKWPNRXPY-UVTDQMKNSA-N 319.385 4.714 30 20 DJED CCc1ccc(C(=O)/C=C\c2ccc(OCC(F)F)cc2)s1 741849044 SZAOUIKXYVMAAR-UITAMQMPSA-N 322.376 4.851 30 20 DJED CCc1ccc2c(CSc3ccccc3C#N)cc(=O)oc2c1 743454886 RGKONODGZQWZFC-UHFFFAOYSA-N 321.401 4.519 30 20 DJED C[C@H](NCc1ccc2c(c1)CCC(C)(C)O2)c1cccc(C#N)c1 743495101 ATAMYTMIZSPZJS-HNNXBMFYSA-N 320.436 4.513 30 20 DJED CC(C)(C)c1ccc(C=NOCc2cnc(Cl)s2)cc1 760343397 SPOPJBBZLFXOSC-UHFFFAOYSA-N 308.834 4.645 30 20 DJED CC(C)n1cc(/C=C2/CCc3c(sc4ccccc34)C2=O)cn1 763101152 MJSNWVGZJHMQKX-ZROIWOOFSA-N 322.433 4.891 30 20 DJED CC(C)c1ccc(N(C)C(=O)c2ccccc2SCC#N)cc1 763741205 KXLKARJFJWHCPO-UHFFFAOYSA-N 324.449 4.702 30 20 DJED CC(C)(C#N)CCCCOC(=O)c1scnc1C1CCCC1 768855125 MSCJAKZDMOOWMC-UHFFFAOYSA-N 320.458 4.678 30 20 DJED O=C(/C=C/c1cc(F)cc(C(F)(F)F)c1)c1cccs1 772800833 CHMPFYVVMJPDHF-ONEGZZNKSA-N 300.276 4.802 30 20 DJED C[C@H](N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc(OCC#N)cc1 772960727 VBRQLIQTVIEQIY-JCHJZTRSSA-N 312.457 4.598 30 20 DJED Cc1cc(C(=O)/C=C\c2scnc2C2CC2)cc(C)c1F 782343463 WBXPFSNIVPLHQI-WAYWQWQTSA-N 301.386 4.673 30 20 DJED O=C(/C=C\c1cn2cc(Cl)ccc2n1)c1csc(Cl)c1 787185523 CJUHKGHPZSMNQD-IHWYPQMZSA-N 323.204 4.599 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc(-c3cnn(C)c3)s2)cc1C 800792279 PWBCZFSDVXEDCJ-VURMDHGXSA-N 322.433 4.662 30 20 DJED Cc1cccc(C(=O)/C=C/c2ccc(-c3cnn(C)c3)s2)c1C 800793252 INVKYIIPZAUDCL-VQHVLOKHSA-N 322.433 4.662 30 20 DJED C#CC[C@@H](N[C@H](CC)c1cccc(Cl)c1O)c1ccccc1 806149126 PNJCKGJVNILVMS-QZTJIDSGSA-N 313.828 4.851 30 20 DJED C[C@@H]1/C(=C\c2nc3ccc(F)cc3s2)C(=O)c2ccccc21 809159084 HZJDKMWTMMLHTH-RSYJBZMQSA-N 309.365 4.819 30 20 DJED CCCCCCCC(=O)c1ccc(OCc2nc(C)no2)cc1 822776760 QGBUSWZAPXZBRB-UHFFFAOYSA-N 316.401 4.500 30 20 DJED CCc1ccc([C@@H](C)C(=O)[C@H](C#N)c2nc(C3CC3)cs2)cc1 842940453 ADYQKYRCBILDRW-WBMJQRKESA-N 324.449 4.563 30 20 DJED O=C(/C=C1\COc2ccc(F)cc21)c1cc(Cl)ccc1Cl 918154385 LQZCFADSPYTGCY-WEVVVXLNSA-N 323.150 4.791 30 20 DJED C[C@@H](NN=Cc1cc(Cl)ccc1OC(F)F)c1ccccc1 920382191 DRKFJKBFOCRHOY-LLVKDONJSA-N 324.758 4.626 30 20 DJED C=C[C@@H](CC)CC(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 932527141 XTHLKMYCLIDBAO-AWEZNQCLSA-N 316.445 4.520 30 20 DJED N#Cc1ccc(N[C@@H]2CCSc3ccc(F)cc32)cc1Cl 1120866396 OOEBZPMFZJOZRY-OAHLLOKOSA-N 318.804 5.000 30 20 DJED Cc1nc(N2CCC[C@@H](C3CCCCC3)C2)c(Cl)cc1C#N 1163795148 AOCRLFRNKGDBBE-OAHLLOKOSA-N 317.864 4.712 30 20 DJED N#Cc1c(F)cccc1CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 1181162495 JATGTMIXKFWIRT-REPLKXPHSA-N 320.411 4.608 30 20 DJED Cc1cc(C#N)ccc1CN(Cc1ccco1)c1ccccc1 1191970638 ZPKLVOIRJSRHLF-UHFFFAOYSA-N 302.377 4.667 30 20 DJED CC(C)c1ccc(/C=C/CC(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1 1275464337 LSFMIJMQBGSURU-HWUNFHLVSA-N 311.425 4.839 30 20 DJED CC(=O)c1cccc(CSc2ccc(Cl)cc2C#N)c1 1307310399 MLHFBFRAKDCNMT-UHFFFAOYSA-N 301.798 4.707 30 20 DJED CC(C)(C)CN(CCC#N)Cc1ccc(Oc2ccccc2)o1 1308589995 ZDCRTXUBYDKCMV-UHFFFAOYSA-N 312.413 4.834 30 20 DJED C[C@@H](CNc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 1308656769 NMAOTYZIGVDACD-LBPRGKRZSA-N 304.315 4.793 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc(C(F)F)c1 1324333535 DFSOKFVFSMJSOM-GOSISDBHSA-N 312.363 4.663 30 20 DJED CC(C)(C#N)c1ccc(C(=O)NC(C)(C)C2CCCCC2)cc1 1326835374 IZOKLGNREGCWEC-UHFFFAOYSA-N 312.457 4.576 30 20 DJED CCCCC1CCC(C(=O)N(CCC#N)CC(C)(C)C)CC1 1360065074 KPCSEPYUOGHHGW-UHFFFAOYSA-N 306.494 4.771 30 20 DJED CC(C)(C#N)c1ccccc1COc1ccc(F)cc1Cl 1458795862 OTWWDHJLEZTVBJ-UHFFFAOYSA-N 303.764 4.859 30 20 DJED CCCC[C@H](CCC)CNC(=O)Nc1ccc(C#N)c(Cl)c1 1465061057 APPMBZXEHNJFBC-ZDUSSCGKSA-N 321.852 4.940 30 20 DJED CSc1ccc(C)c(C(=O)O[C@H](C)c2ccc(C#N)cc2)c1 1515125809 SFIOXWJDPVMEST-CYBMUJFWSA-N 311.406 4.507 30 20 DJED Cc1ccc(-c2ccc(C(=O)O[C@@H]3CCC[C@H](C#N)C3)s2)o1 1528079621 COAXJUHVFBDDEP-QWHCGFSZSA-N 315.394 4.556 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)c1cc2occc2s1 1528748489 YSRNOIWXFIMQPV-UHFFFAOYSA-N 318.357 4.771 30 20 DJED Cc1csc(NC(=O)c2cc(-c3ccccc3)oc2C)c1C#N 1532084493 VKIXNVQOCRBHHO-UHFFFAOYSA-N 322.389 4.749 30 20 DJED C=C(CNC(=O)c1ccccc1CC(C)(C)C)c1ccccc1 1535094794 IIRJCHDXRPFWCG-UHFFFAOYSA-N 307.437 4.718 30 20 DJED CC(C)c1cc(N(C)[C@H](C)c2cccc(C#N)c2)nc(C(C)C)n1 1612516241 IQOIYDNRVQBUPG-OAHLLOKOSA-N 322.456 4.792 30 20 DJED CC(C)N(Cc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 1616050388 CICQSEGCIAJKDX-UHFFFAOYSA-N 302.780 4.766 30 20 DJED N#Cc1ccc(CN2CC3(CCCC3)[C@@H]2c2ccccc2)c(F)c1 1652615780 QZJFUGAWDDHRTL-FQEVSTJZSA-N 320.411 4.815 30 20 DJED N#Cc1cccc(CN2CCC[C@H]2CCCc2ccccc2)c1 1652899700 JSRSWIILUMGWIO-OAQYLSRUSA-N 304.437 4.546 30 20 DJED C[C@H](c1ccc(Cl)cc1Cl)N(C)c1ncc(C#N)cc1F 1654952107 CIURUHMEFKFPAW-SECBINFHSA-N 324.186 4.597 30 20 DJED Cc1ccc(C(=O)[C@@H](C)Sc2cccc(F)c2C#N)cc1C 1656588640 BURPXAPRPRKFSU-CYBMUJFWSA-N 313.397 4.678 30 20 DJED CC(C)[C@@H]1CN(C(=O)Nc2cccc(CC#N)c2)c2ccccc21 1671984837 ZSWNWZXMIAZECF-SFHVURJKSA-N 319.408 4.544 30 20 DJED CC(CCCCCCC(=O)O)=NNc1ccc(F)c(Cl)c1 1776097857 GWEMTIBLAYGUJP-UHFFFAOYSA-N 314.788 4.692 30 20 DJED Cc1ccc(C(=O)/C=C\c2csc3ccc(C(=O)O)cc23)cc1 1776114154 HQSLIHMETYARSG-VURMDHGXSA-N 322.385 4.804 30 20 DJED N#Cc1ccc(NCc2cccc(C(F)(F)F)c2)cc1Cl 37393370 YPDGVEMBGWOFBB-UHFFFAOYSA-N 310.706 4.843 30 20 DJED CC(C)COc1cccc(CN[C@H](CCC#N)c2ccccc2)c1 126786459 WPJINUYQOYXDCE-OAQYLSRUSA-N 322.452 4.856 30 20 DJED C=CCC[C@@H](C(=O)Nc1cnn([C@H](C)C2CC2)c1)c1ccccc1 186430061 KYMHNXGWLCAGFM-DNVCBOLYSA-N 323.440 4.543 30 20 DJED Cc1cccc([C@H](C)CNCc2cccc(OCCCC#N)c2)c1 237551225 YFEZJYLAAIQVJQ-GOSISDBHSA-N 322.452 4.571 30 20 DJED CSc1ccc(C(=O)/C=C\c2cc(C#N)cs2)c(Cl)c1 254998530 HXUIEOZCPWIYSU-HYXAFXHYSA-N 319.838 4.891 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2ccc(SC(F)F)cc2)s1 255885082 LIXYYQDFMFCKJM-FPLPWBNLSA-N 321.373 4.831 30 20 DJED N=C(O)c1ccc(N=C(O)[C@@H]2CCC[C@H]3CCCC[C@H]32)c(F)c1 329165608 HNTRHOSBNDZLBN-MRVWCRGKSA-N 318.392 4.904 30 20 DJED Cc1c([C@H](C)/N=C(/O)C[C@@H]2CCCC(O)=N2)oc2ccccc12 329329165 KVTBAEFTTZBHFX-STQMWFEESA-N 314.385 4.658 30 20 DJED Cc1cc(O)nc2cc(/C(O)=N/[C@H]3CCCCC3(C)C)ccc12 329656332 MQOHABQQBGXHDM-INIZCTEOSA-N 312.413 4.522 30 20 DJED CC(C)(C)C[C@@H]1CCN(CCCC2(C#N)CCOCC2)C1(C)C 412030732 FESBVMHKLSHQJG-KRWDZBQOSA-N 320.521 4.624 30 20 DJED C=CCC(C)(C)CNC(=O)N1CC2(CCC2)[C@H]1c1ccccc1 432558239 ONUJUNCERFPOBW-QGZVFWFLSA-N 312.457 4.526 30 20 DJED C=CCC[C@H](NC(=O)Nc1cc(C#N)ccc1C)c1ccccc1 435592217 JUIYEUOVOAKZDG-SFHVURJKSA-N 319.408 4.696 30 20 DJED N#CCC[C@H](NC(=O)c1ccc2sccc2c1)c1ccccc1 439671590 HFTIYMONYBADKB-KRWDZBQOSA-N 320.417 4.676 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H]1c1cccc(N(C)C)c1 441486566 NLYXZSLEKCAHCN-IIBYNOLFSA-N 319.452 4.522 30 20 DJED C=CC[C@@H](C(=O)Nc1cc2[nH]ccc2cc1C)c1ccccc1 444452492 YADWSPMBXKNHSC-QGZVFWFLSA-N 304.393 4.775 30 20 DJED C=CC[C@@H](CC)NC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 466540567 KUAHDAQYXYXFHT-CABCVRRESA-N 313.363 4.670 30 20 DJED C=C[C@](C)(CC)C(=O)N[C@H](C)CCc1ccc(OC(C)C)cc1 467741826 SXTSHBWRUSZUAJ-OXQOHEQNSA-N 317.473 4.513 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1cnn(CCC(C)C)c1C(C)C 490532959 BLVNEARSPVGOAT-SFHVURJKSA-N 305.466 4.593 30 20 DJED C=C(C)COc1cccc(NC(=O)[C@H](CCC)c2ccccn2)c1 495252405 ALCCEOCCSXFPRG-GOSISDBHSA-N 324.424 4.559 30 20 DJED C=CCN(Cc1ccccc1)C(=O)c1oc2ccccc2c1C 497796679 FUICEUABWQMYDG-UHFFFAOYSA-N 305.377 4.570 30 20 DJED C=C(C)CCc1noc([C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)n1 508642842 BTIRMEWVONNMKQ-KBPBESRZSA-N 322.330 4.868 30 20 DJED CO[C@H](CSc1ccc(C#N)cc1)c1ccc(Cl)cc1 509104275 VATAFGVQCSPVHT-MRXNPFEDSA-N 303.814 4.691 30 20 DJED CCOc1ccc(C#N)cc1NC(=O)[C@@H](CC)CC1CCCC1 510498618 CTFWGWWRYLMUIK-INIZCTEOSA-N 314.429 4.502 30 20 DJED C=C(C)[C@@H](N[C@H](C)Cc1ccc(O)cc1)c1ccc(F)c(F)c1 512652298 LKIPLUJXLMAFKF-BFUOFWGJSA-N 317.379 4.508 30 20 DJED CC(C)[C@H](NCc1ccc(CC#N)cc1)c1ccccc1Cl 543183197 IDLRLJKNAAHYMB-IBGZPJMESA-N 312.844 4.893 30 20 DJED C=CCC[C@H](C(=O)NCCCc1cccs1)c1ccccc1 548637109 HRLABWGFSCZJRU-SFHVURJKSA-N 313.466 4.547 30 20 DJED C[C@H](SCc1ccc(C(F)(F)F)cn1)c1cccc(C#N)c1 551003172 GKFCAVOPEUEXND-NSHDSACASA-N 322.355 4.966 30 20 DJED CCCCCSCC(=O)N(CCC#N)c1cccc(Cl)c1 557435161 WCBSVTPVKRPJJQ-UHFFFAOYSA-N 324.877 4.510 30 20 DJED N#CCC[C@H](C#N)CNc1cccc(CSC2CCCC2)c1 573293161 CIESOGFIPYQYJI-MRXNPFEDSA-N 313.470 4.718 30 20 DJED CC(C)(CCC#N)CNc1nc(-c2ccccc2Cl)cs1 573835724 WQOWTCPXYVFIMT-UHFFFAOYSA-N 319.861 5.205 30 20 DJED C=CCn1c(SCc2ccc(Cl)cn2)nc2ccccc21 579749550 ZUZASOVFFNOTNM-UHFFFAOYSA-N 315.829 4.563 30 20 DJED Cc1c(C(=O)N[C@](C)(C#N)C2CCCCC2)oc2c(C)cccc12 583310956 RDVLABOWTUXITN-HXUWFJFHSA-N 324.424 4.642 30 20 DJED C=CCOc1cccc(NC(=O)[C@@H](C)c2ccc(CC)cc2)c1 589907010 ONUPEYHAMPUUTG-HNNXBMFYSA-N 309.409 4.556 30 20 DJED C=CCCCCCN(C)C(=O)N[C@H](c1ccc(C)cc1)C1CC1 606966557 GNNCDTDDNFFELO-LJQANCHMSA-N 314.473 4.834 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc(Cl)c1Cl 618741007 BPJIYWFNNCCYGS-MRXNPFEDSA-N 317.219 4.642 30 20 DJED CCCCCCCCC(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C 735642322 XRVWSGSNRKVZQZ-AEFFLSMTSA-N 311.510 4.695 30 20 DJED Cc1cccc([C@@H](C)OC(=O)c2ccccc2SCC#N)c1 737346773 YGLIDZKZAIRXMP-CQSZACIVSA-N 311.406 4.529 30 20 DJED CC(=NNc1cccc2cnccc12)c1coc2ccccc12 747751599 NWBSJRHJCLMVPB-UHFFFAOYSA-N 301.349 4.817 30 20 DJED C[C@H](NCc1ccc(C#N)cc1)c1ccc(SC(F)F)cc1 749287105 AUZUFVLLGLAITH-LBPRGKRZSA-N 318.392 4.724 30 20 DJED CCc1c(C)sc(NC(=O)CCCSC(C)(C)C)c1C#N 754348846 GULHREUUIGBTPK-UHFFFAOYSA-N 324.515 4.741 30 20 DJED COc1cc(F)ccc1NN=C(C)c1sc(C(C)C)nc1C 761884591 KVFRNJZNVVIGSM-UHFFFAOYSA-N 321.421 4.559 30 20 DJED Cc1ncsc1/C=C\C(=O)c1ccc(OC(C)(C)C)cc1 764921246 PGVPQPTWJXRNQM-KTKRTIGZSA-N 301.411 4.525 30 20 DJED C#C[C@H](C)N(C)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 770060238 VVVSYSVIKUKYGN-AWEZNQCLSA-N 306.369 4.587 30 20 DJED C[C@@H](C#N)CNN=Cc1c2ccccc2c(Cl)c2ccccc12 771114016 ZDMHNOZZCIAQNM-ZDUSSCGKSA-N 321.811 4.730 30 20 DJED O=C(/C=C/c1cscc1Cl)c1c(Cl)nc2ccccn12 771860978 UFQYKUUQDCTKGR-SNAWJCMRSA-N 323.204 4.599 30 20 DJED COc1ccc(N[C@H](C)c2ccc(C#N)c(F)c2)cc1Cl 776797804 ZKZHIWCMMMTZQY-SNVBAGLBSA-N 304.752 4.532 30 20 DJED C#CCC1(C(=O)Nc2cccc(-c3nc(C)co3)c2)CCCCC1 788450292 IEIJWOBVTCVDDC-UHFFFAOYSA-N 322.408 4.562 30 20 DJED O=C(/C=C/c1ccc(-c2cccc(F)c2F)o1)c1ccco1 790221795 FTKRZRNCWPBAOZ-SOFGYWHQSA-N 300.260 4.714 30 20 DJED Cc1ccc(C)c(C(=O)/C=C\c2c(C)nc3sc(C)cn23)c1 797109701 NNBZBHVRJYELSN-FPLPWBNLSA-N 310.422 4.526 30 20 DJED CC[C@](C)(C#N)C(=O)O[C@@H](C)c1cc(Cl)ccc1Cl 797173519 WOCQQBGQRZCFQW-LKFCYVNXSA-N 300.185 4.537 30 20 DJED CCc1cccc2c(/C=C\C(=O)c3ccc(OC)cc3)c[nH]c12 916137111 LAUAQVGNUGWPRU-XFXZXTDPSA-N 305.377 4.635 30 20 DJED N#Cc1cccc(CNc2cccc(COc3ccccc3)c2)c1 917520840 VGEYPMLDYNMAOK-UHFFFAOYSA-N 314.388 4.749 30 20 DJED CCC(C)(C)C1CCC(CC(=O)NCC(C)(C)CC#N)CC1 1129696012 UOTPHLXOHYITFY-UHFFFAOYSA-N 306.494 4.675 30 20 DJED N#Cc1cccc(N[C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)n1 1163489027 QXBVBAZIFQXVJD-GOEBONIOSA-N 311.816 4.745 30 20 DJED N#Cc1ccccc1SCc1cccc(CN2CCCCC2)c1 1165679519 FSAOXJFYEWBYFP-UHFFFAOYSA-N 322.477 4.836 30 20 DJED CC[C@H]1CCCC[C@@H]1N(C)Cc1ccc(C#N)cc1OC(F)F 1193461412 PDMJFNSWYPRUKG-HOCLYGCPSA-N 322.399 4.560 30 20 DJED CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1scc(C(C)(C)C)c1C#N 1274506602 CYLQHMFTJOFBDL-PXAZEXFGSA-N 304.459 4.538 30 20 DJED C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cc2ccccc2cc1C#N 1275727010 ZNFCYFKYYLRTOQ-HUUCEWRRSA-N 306.409 4.866 30 20 DJED N#CCCCCSCc1ccc(OCc2ccccn2)cc1 1319277114 AXVKCLQFEJAUMH-UHFFFAOYSA-N 312.438 4.588 30 20 DJED N#C[C@H]1CCC[C@H](Nc2ccc(SC(F)(F)F)cc2)C1 1320268458 XQIXSGUHZYQEQO-JQWIXIFHSA-N 300.349 4.793 30 20 DJED N#CCc1ccc(NC(=O)c2ccc(-c3cccs3)s2)cc1 1320291050 SLGWHQXTSQBPSF-UHFFFAOYSA-N 324.430 4.795 30 20 DJED CC(C)(CC(=O)Nc1ccc(Cl)cc1C#N)c1ccccc1 1532005856 SXGWLRJCXTZEQX-UHFFFAOYSA-N 312.800 4.518 30 20 DJED CC(C)c1ccc(/C=C/CC(=O)Nc2cccc(CC#N)c2)cc1 1545049135 XNQBFWOWDKTPLJ-SNAWJCMRSA-N 318.420 4.918 30 20 DJED COc1ccc(C(C)(C)C)cc1Nc1snc(Cl)c1C#N 1559053524 SYOLCZIEBLIMDG-UHFFFAOYSA-N 321.833 4.718 30 20 DJED Cc1ccc(-c2ccc(CNc3cc(F)cc(C#N)c3)o2)cc1 1621032704 JOKKCTWVEKKRAL-UHFFFAOYSA-N 306.340 4.878 30 20 DJED CN(C(=O)CC1(C#N)CCCCC1)[C@@H]1CCC[C@@H]1C(C)(C)C 1639425115 OTAGBAAGXDBDOC-JKSUJKDBSA-N 304.478 4.524 30 20 DJED CC[C@H](CSc1nc2c(cc1C#N)CCCC2)CC(F)F 1643615469 LMNBXDSEHMYIEV-NSHDSACASA-N 310.413 4.606 30 20 DJED Cc1ccc(CN(Cc2ccc(F)cc2C#N)C(C)(C)C)cc1 1647831299 ONDHFRRDTPIDJS-UHFFFAOYSA-N 310.416 4.807 30 20 DJED N#Cc1cc(F)ccc1CN(c1ccccc1F)C1CCCC1 1657635650 JATWMVGCSJOBLW-UHFFFAOYSA-N 312.363 4.786 30 20 DJED CC[C@@H]1[C@@H](C)CCN1C(=O)Nc1scc(C(C)(C)C)c1C#N 1662084825 QKPZWOICFONLSY-SMDDNHRTSA-N 319.474 4.570 30 20 DJED CCC(C)(C)c1ccc(CNC(=O)Nc2ccc(C#N)cc2)cc1 1666946252 PHBBLDSSUDZZPY-UHFFFAOYSA-N 321.424 4.568 30 20 DJED CCCCCCCC[C@H](C)C(=O)Nc1ccc(C(=O)O)c(F)c1 1776786181 WDHKGIUOXWQGOI-ZDUSSCGKSA-N 323.408 4.849 30 20 DJED C[C@@H](NC(=O)Nc1cccc2ccccc12)c1ccc(C#N)cc1 47956009 NKGAZFKCJBTRJV-CQSZACIVSA-N 315.376 4.594 30 20 DJED Cc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)cc1Cl 155593904 PEAMSQHDXHSTAP-ZDUSSCGKSA-N 300.789 4.551 30 20 DJED CC[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(Cl)s1 180551667 AOLGIVFKQZDBDO-CQSZACIVSA-N 320.845 4.545 30 20 DJED N#CCc1ccc(NCc2ccc(SC(F)F)cc2)cc1 185149546 LHWULBRTZXVUQN-UHFFFAOYSA-N 304.365 4.679 30 20 DJED N#C[C@H]1CCC[C@H](NC(c2cccs2)c2cccs2)C1 185843546 RHDKOBVRQLSJIF-STQMWFEESA-N 302.468 4.571 30 20 DJED CCSc1ccc([C@H](C)NCc2ccc(C#N)c(F)c2)cc1 192156140 QHLUNPWKMIHNRA-ZDUSSCGKSA-N 314.429 4.660 30 20 DJED CC[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(Cl)s1 273520418 QMRBKSOCSGVNDK-CYBMUJFWSA-N 308.809 4.653 30 20 DJED C[C@H](Nc1cccc(F)c1C#N)c1cccc(C(F)(F)F)c1 302605518 SGOCHSLXEGADKW-JTQLQIEISA-N 308.278 4.889 30 20 DJED CCC(C#N)(CC)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 320291765 QSHXSWPADJHMPB-UHFFFAOYSA-N 304.393 4.526 30 20 DJED C[C@@H](CC(C)(C)c1c[nH]c2ccccc12)NCC(C)(C)CC#N 414168123 QHHWNWWFMWXRAK-HNNXBMFYSA-N 311.473 4.754 30 20 DJED Cc1nc(C(C)C)oc1CN[C@H](CCCC#N)c1ccccc1 433025127 HTYQODZKCYVBDI-QGZVFWFLSA-N 311.429 4.631 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H]1c1cccc(N(C)C)c1 442686020 YHVZCACKOOQYQN-HRAATJIYSA-N 319.452 4.522 30 20 DJED CCCOc1ccc(C(F)(F)F)cc1N[C@@H]1CC[C@@H](C#N)C1 442875813 ULECNXNBZIFUHU-DGCLKSJQSA-N 312.335 4.598 30 20 DJED CCC(CC)CN(CCC#N)Cc1ncc(C(C)(C)C)s1 448334140 GTCXQWAMOOHUFZ-UHFFFAOYSA-N 307.507 4.592 30 20 DJED CC1(C#N)CCC(NCCc2cc(Cl)cc(Cl)c2)CC1 449106893 NLPYMZPIDPQBPQ-UHFFFAOYSA-N 311.256 4.598 30 20 DJED C=CCC[C@@H](N[C@H](C)c1cn[nH]c1)c1ccc(C(F)(F)F)cc1 453182840 XTLTWFXHQDUVIS-MLGOLLRUSA-N 323.362 4.787 30 20 DJED N#CCCCN[C@H](Cc1ccccc1Cl)c1ccsc1 453192220 JEKKXXPFGYYNGW-MRXNPFEDSA-N 304.846 4.579 30 20 DJED CC(C)c1ccc([C@H](C)NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1 461737117 NEIKXRITZSYDBR-HOTGVXAUSA-N 320.436 4.663 30 20 DJED CC#CCCCC(=O)N(Cc1ccccc1)[C@H](C)c1ccccc1 462637078 FLEUFOYTWGQBKL-LJQANCHMSA-N 319.448 4.970 30 20 DJED Cc1cccc(C)c1[C@H](C)NC(=O)c1ccc(C(C)(C)C#N)cc1 476683080 CJBBLJJSDXAFFG-INIZCTEOSA-N 320.436 4.596 30 20 DJED C=CCCCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 479523981 QULYTTXSMJVPRK-UHFFFAOYSA-N 305.381 4.525 30 20 DJED CC(C)(CCC#N)CN1CCC(c2ccc(Cl)cc2)CC1 482494443 CRZXOUJIUJQBIQ-UHFFFAOYSA-N 304.865 4.849 30 20 DJED CC(C)c1ccc(CN(C(=O)c2ccc(C#N)s2)C2CC2)cc1 486860544 VEEYJPDMWJMBFY-UHFFFAOYSA-N 324.449 4.548 30 20 DJED C=CC[C@H](C(=O)N[C@@H]1CCCc2sccc21)c1ccccc1 490279859 SGRURBJMAAMHAD-DOTOQJQBSA-N 311.450 4.602 30 20 DJED CC(C)(C#N)CC(=O)Nc1ccc(CCCc2ccccc2)cc1 494108892 YOVIXJOXZBUNSJ-UHFFFAOYSA-N 320.436 4.740 30 20 DJED C=C[C@@H](CC(=O)N[C@H](C)c1cccc(F)c1F)c1ccccc1 500155338 ORGJPQAGXLVADM-KGLIPLIRSA-N 315.363 4.502 30 20 DJED CCN(C(=O)c1ccc(C(C)C)cc1)[C@@H](C)c1ccc(C#N)cc1 509594097 USPUMGGWNLUICS-INIZCTEOSA-N 320.436 4.905 30 20 DJED CCN(C(=O)[C@@H](C)CC1CCCC1)[C@H](C)c1ccc(C#N)cc1 510304630 CYZVGILLWCOMIB-JKSUJKDBSA-N 312.457 4.684 30 20 DJED C=CCCCC(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 510892204 GPIVMOYFJZHWPG-UHFFFAOYSA-N 324.251 4.965 30 20 DJED N#Cc1ccc2c(c1)[C@@H](N[C@H](c1ccccc1)C1CCC1)CC2 519794922 QJPVXRGYZLAFSK-LEWJYISDSA-N 302.421 4.677 30 20 DJED C=C[C@H](CC(=O)Nc1ccc2scnc2c1)c1ccccc1 536209671 LOILXNYMWJUSDY-CYBMUJFWSA-N 308.406 4.595 30 20 DJED C=CC[C@@H](C)[C@H](C)Nc1cccc2c1CN(c1nccs1)C2 540745327 AXHPMFBZRYSADQ-KGLIPLIRSA-N 313.470 4.676 30 20 DJED CC[C@H](CC(=O)N[C@@](C)(C#N)C1CCCCC1)c1ccccc1 550747944 KWVBQAXSDFYJCL-UZLBHIALSA-N 312.457 4.549 30 20 DJED C=CCC[C@@H](NCc1cc(-c2ccccc2)on1)c1ccco1 560525072 GBMLYONHZMZPNR-QGZVFWFLSA-N 308.381 4.732 30 20 DJED Cc1cccnc1C(C)(C)CNc1cccc(C(F)F)c1C#N 566481345 HOPWDEFPSDJPKN-UHFFFAOYSA-N 315.367 4.589 30 20 DJED N#C[C@@H](N[C@H]1CCSc2ccc(Cl)cc21)C1CCCCC1 570001270 VDSWEMDIISCTDW-JKSUJKDBSA-N 320.889 4.939 30 20 DJED CCC1(c2ccc(Cl)cc2)CCN([C@@H]2CC[C@@H](C#N)C2)CC1 572009996 QPSWTRXBMJHRGF-CRAIPNDOSA-N 316.876 4.776 30 20 DJED CC(C)[C@](C)(Cc1ccc(Cl)cc1)N[C@@H]1CC[C@H](C#N)C1 583276710 OBCIKSFHFOFYAJ-JQHSSLGASA-N 304.865 4.579 30 20 DJED N#Cc1ccc(CNc2ncc(Cl)cc2Cl)cc1Cl 588043119 IQOUUNONBCVOII-UHFFFAOYSA-N 312.587 4.526 30 20 DJED C=C(C)COc1cccc(NC(=O)N(C)[C@H](C)c2ccccc2)c1 589740140 LGYHRKROEVAKKR-MRXNPFEDSA-N 324.424 4.866 30 20 DJED CCC(C)(C)OCc1cccc(NCc2cccc(C#N)n2)c1C 602493266 RVFMCTOOFCMSHL-UHFFFAOYSA-N 323.440 4.579 30 20 DJED C=CC[C@@H](C)NC(=O)C1(c2cccc(Cl)c2)CCCCC1 604879998 FOUHTQFQDIFKTI-CQSZACIVSA-N 305.849 4.623 30 20 DJED C=CCC[C@@H](N[C@@H](C)c1ccc2nc(O)oc2c1)c1ccccc1 671753743 IKFIPDBWSASOSU-WMLDXEAASA-N 322.408 4.892 30 20 DJED Cc1ccc2c(C=NNc3ccc(OC(F)F)cc3)c[nH]c2c1 726426796 HXXYQMKGJQBILZ-UHFFFAOYSA-N 315.323 4.524 30 20 DJED CC1(C)Cc2cc(/C=C/C(=O)c3ccc(F)c(F)c3)ccc2O1 729150949 RBBFELSDPPMEEI-XVNBXDOJSA-N 314.331 4.574 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC[C@H]1CC1(Cl)Cl 731351988 ITFUKDGXBBHOCK-WDEREUQCSA-N 315.269 4.687 30 20 DJED Cc1ccsc1C(=O)/C=C/c1ccccc1OC(F)(F)F 733749130 RNLNIRIWRDHZKW-VOTSOKGWSA-N 312.312 4.851 30 20 DJED CC1CCC(=CC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 734099993 ZCUCHFKKDHSPOD-UHFFFAOYSA-N 314.454 4.574 30 20 DJED C=CCCCCCN(C)C(=S)NC12CC3CC(CC(C3)C1)C2 739455454 CMGNMRCVJBFAMV-UHFFFAOYSA-N 320.546 4.508 30 20 DJED CC(C)C(=NNc1c(F)cc(F)cc1Br)C1CC1 741770407 BKFGTKIRKVGODF-UHFFFAOYSA-N 317.177 4.561 30 20 DJED CC(C)CCn1cccc1C=NOc1ccccc1C(F)(F)F 755817422 YFVHKVFZGLYGTF-UHFFFAOYSA-N 324.346 4.966 30 20 DJED C#CC[C@H](NC(=O)Nc1c(CC)cccc1CC)c1ccccc1 757755526 KSRSRTGVKHICGC-IBGZPJMESA-N 320.436 4.698 30 20 DJED Clc1csc(C=NN=C2c3ccccc3-c3ccccc32)n1 758097983 KSLWUOMMYNQEDT-UHFFFAOYSA-N 323.808 4.648 30 20 DJED CC(C)c1cccc2c1OC/C(=C/c1nc(Cl)cs1)C2=O 759083727 PIMMVPGOKQSRRZ-POHAHGRESA-N 319.813 4.579 30 20 DJED CCCCCCC[S@@](=O)Cc1cc(-c2ccccc2)no1 764438309 MSBQIDINIILCMG-OAQYLSRUSA-N 305.443 4.561 30 20 DJED C=CC[C@H](N[C@@H](C)c1ccc(F)cc1Cl)c1ccncc1 766022983 YSTXGGNLJJCGFU-SJCJKPOMSA-N 304.796 4.842 30 20 DJED FC(F)(F)c1cccc(CCCC=NO[C@H]2CCCCO2)c1 769799930 PTFXPEVQYYHPJJ-HNNXBMFYSA-N 315.335 4.557 30 20 DJED C=CCC[C@@H](N[C@@H](C)c1ccc2c(c1)CCO2)c1ccccc1 773079228 XQSCWZMXWTUQQD-OXJNMPFZSA-N 307.437 4.980 30 20 DJED O=C(/C=C/c1ccc(-c2c(F)cccc2F)o1)c1ccncc1 776188566 WMZHDWDQPKPVAS-GQCTYLIASA-N 311.287 4.516 30 20 DJED C[C@@H](C#N)Oc1ccc(CNc2cc(Cl)cc(Cl)c2)cc1 776494404 NPHLVDWCJHKFLK-NSHDSACASA-N 321.207 4.896 30 20 DJED CC1(C)CC(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 795204772 NEBUOHYOOMSRDO-IBGZPJMESA-N 318.420 4.717 30 20 DJED CCCOc1ccc(C(=O)/C=C/c2ccc3oncc3c2)cc1 821031409 JLBKPWCKSKKYNI-YCRREMRBSA-N 307.349 4.513 30 20 DJED C/C(=C/c1ccc(C)cc1)C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842942258 XBFLOYFYPWAKFU-OVHOFWQVSA-N 322.433 4.609 30 20 DJED CCCCCCCCCC(=O)N1CC[C@H](c2cccnc2)C1 843635247 PQCCRXXFCVCXPF-SFHVURJKSA-N 302.462 4.538 30 20 DJED C#Cc1cccc(NC(=O)c2cc3ccc(C(C)C)cc3[nH]2)c1 914470344 BOVVJNRJTNYQBS-UHFFFAOYSA-N 302.377 4.525 30 20 DJED CC(C)c1ccc2c(c1)[C@H](NC(=O)c1cc(C#N)cs1)CCC2 1127672228 LYSYUUVUUYQISL-QGZVFWFLSA-N 324.449 4.551 30 20 DJED CCc1cccc(Nc2c(Br)cccc2C#N)c1 1184607956 JMWFFYDSKPVLTQ-UHFFFAOYSA-N 301.187 4.627 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C[C@@H]1C[C@H]1c1ccccc1 1204803782 QUKZRSGPIJALKF-SFTDATJTSA-N 304.437 4.574 30 20 DJED N#CCc1cccc(NC(=O)c2ccc(-c3ccccc3)s2)c1 1272960408 KDTZDSMYEKGLLT-UHFFFAOYSA-N 318.401 4.733 30 20 DJED Cc1cc(SCc2cc(-c3ccc(F)cc3)no2)ccc1C#N 1307361619 MUZDLSKHKIAXTP-UHFFFAOYSA-N 324.380 4.953 30 20 DJED Cc1ccc(C[C@@H](C#N)Sc2nc3ccc(F)cc3o2)cc1 1307400730 ILKZHTKBRTYSNF-AWEZNQCLSA-N 312.369 4.502 30 20 DJED CC(C)CN(Cc1ccn(C2CCCC2)n1)c1ccc(C#N)cc1 1307551800 MGGKAJNPMPGMGH-UHFFFAOYSA-N 322.456 4.532 30 20 DJED CC1(C)CCC[C@H](CN2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 1308579092 TWLQMWDBHRILGM-SXLOBPIMSA-N 310.485 4.975 30 20 DJED CC(C)[C@@H](C#N)c1ccc(-c2ccc3c(c2)CCC(=O)N3)cc1 1327719592 ISCOQEPCZMEAQU-GOSISDBHSA-N 304.393 4.501 30 20 DJED COc1cc(Cl)c(Cl)cc1NCc1ccc(C#N)c(C)c1 1461428767 SSPVDRLQVXDXHA-UHFFFAOYSA-N 321.207 4.794 30 20 DJED Cc1c(Cl)cnc(NCc2ccc(C)c3ccccc23)c1C#N 1472806882 KVJACMJGKVDKEP-UHFFFAOYSA-N 321.811 4.989 30 20 DJED Cc1ccc2ncc(C#N)c(OC[C@@H]3CCCCC3(F)F)c2c1 1473036560 NQUZGQYKRULFSF-AWEZNQCLSA-N 316.351 4.619 30 20 DJED Cc1cc(SCc2csc(-c3ccoc3)n2)ccc1C#N 1473049157 OUDSRLLJHNZWOA-UHFFFAOYSA-N 312.419 4.876 30 20 DJED CC(C)(C)OCc1cccc(NCc2ccc(C#N)cc2F)c1 1474282667 GZCOEWSCJSSVIE-UHFFFAOYSA-N 312.388 4.625 30 20 DJED C[C@@H]1CC[C@@H](C(=O)N(c2cccc(C#N)c2)C2CCC2)C[C@H]1C 1532439902 PXMIWFPOCGBDFE-BFYDXBDKSA-N 310.441 4.516 30 20 DJED N#Cc1ccc(OC/C=C\c2ccc(Cl)cc2)cc1Cl 1559401144 VXIUJKSRHPLQKU-UPHRSURJSA-N 304.176 4.957 30 20 DJED CCN(Cc1ccc(Cl)cc1C#N)c1cccc(C)c1F 1560088079 WUELWBIJVWQXDL-UHFFFAOYSA-N 302.780 4.686 30 20 DJED C[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)c1ccc(F)cc1F 1642373668 DXUADLPPCUTOOF-LLVKDONJSA-N 315.367 4.702 30 20 DJED Cc1cc(N2CCc3c(-c4ccccc4)cccc32)c(C#N)cn1 1651722814 KBSIEOLVOAPZBG-UHFFFAOYSA-N 311.388 4.623 30 20 DJED CC[C@@H]1C[C@H]1CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 1652721062 GQSSVUKHLSRNRT-UXHICEINSA-N 322.427 4.746 30 20 DJED CC(C)[C@@H]1C[C@H](NCc2ccc(C#N)c(F)c2)c2ccccc21 1652949908 KUBYDQHIXKODSY-ICSRJNTNSA-N 308.400 4.672 30 20 DJED CC1(C)C[C@@]1(NCc1ccc(C#N)cc1Cl)c1ccccc1 1654353719 KZRNVIQDQOTELZ-LJQANCHMSA-N 310.828 4.627 30 20 DJED CN(c1c(Br)cccc1C#N)C1CCC(C)(C)CC1 1655245532 WEEGATICCVMCNU-UHFFFAOYSA-N 321.262 4.726 30 20 DJED Cc1cc(Cl)cc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 1658146090 LXQRBBNAOWPXQY-IBGZPJMESA-N 310.828 4.687 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccc3oc(C(=O)O)cc3c2)c(C)c1 1776132795 FZFGCCVXWGSKQM-QPJJXVBHSA-N 320.344 4.644 30 20 DJED Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1ccccc1C#N 120976690 JPGBGOFFLPEADN-AWEZNQCLSA-N 313.470 4.640 30 20 DJED N#Cc1cccc(CN[C@@H]2CCSc3c(Cl)cccc32)c1 151395259 MUVHHDYCSOVOCN-MRXNPFEDSA-N 314.841 4.538 30 20 DJED O=C(/C=C/c1cccnc1Cl)c1cc(Cl)sc1Cl 171539709 BKEKFKGFADBBQA-ONEGZZNKSA-N 318.612 4.999 30 20 DJED O=C(/C=C/c1cnc(-c2cccs2)s1)c1ccsc1 177614852 SBMYZTRMYILEIU-ONEGZZNKSA-N 303.433 4.829 30 20 DJED Cc1nc(C(C)C)sc1[C@@H](C)N(C)Cc1cccc(C#N)c1 178874308 MUFYUPHXFIVWKI-CQSZACIVSA-N 313.470 4.640 30 20 DJED C[C@H](NCCCC(C)(C)C#N)c1nc(-c2ccccc2)cs1 184516923 OWNDBGMDHHKSQB-AWEZNQCLSA-N 313.470 4.791 30 20 DJED N#CCC[C@H](NCc1ccc(OCC2CC2)cc1)c1ccccc1 191460908 SZQAJAMOUHFOFR-NRFANRHFSA-N 320.436 4.610 30 20 DJED COc1cc(C=NN(c2ccccc2)c2ccccc2)ccc1O 252617308 KQEFTOVGCDTEQD-UHFFFAOYSA-N 318.376 4.573 30 20 DJED N#Cc1cccc(OCc2cc(Cl)ccc2Br)c1 311135575 RYJALFNPCMSFMM-UHFFFAOYSA-N 322.589 4.553 30 20 DJED C[C@@H](NCCCF)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 314377340 SJBWGYQDFQCADV-MRVPVSSYSA-N 317.248 4.734 30 20 DJED C[C@H]1C(=O)CC[C@@H](C(O)=Nc2nc(C(C)(C)C)cs2)C1(C)C 329824373 BLPQUBQOYZQEGP-QWRGUYRKSA-N 322.474 4.670 30 20 DJED C=C(CN[C@H]1CCSc2ccc(OC)cc21)c1ccccc1 343474116 XHGOMAAPETXWGK-SFHVURJKSA-N 311.450 4.535 30 20 DJED CC[C@@H](C#N)Sc1nc(-c2cccs2)nc2ccccc12 436052353 PBPLQASHRKRMPC-NSHDSACASA-N 311.435 4.753 30 20 DJED N#CCCN(Cc1ccc(-c2cccs2)cc1)Cc1ccco1 444652533 UHMICEVGIIHARY-UHFFFAOYSA-N 322.433 4.924 30 20 DJED C=CC[C@@H](CC)NC(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 466326926 VMUUKEWJBDDPFV-GOEBONIOSA-N 314.429 4.880 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)CCCc1ccc(Cl)cc1 471171352 ZPRHEBSFOJVQRF-UHFFFAOYSA-N 320.864 4.594 30 20 DJED CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 476185547 BESTXKKXUFBVKC-MAUKXSAKSA-N 312.457 4.529 30 20 DJED C=C[C@H](CC(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccccc1 481547028 VFZCNRZZKUNDPX-XFQXTVEOSA-N 323.411 4.548 30 20 DJED N#Cc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)s1 486832501 GSKQHCUUELCHHT-UHFFFAOYSA-N 320.373 4.664 30 20 DJED N#CCc1ccc(CN2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)cc1 502812050 YMMHMIBLLLTYJI-FGZHOGPDSA-N 314.432 4.573 30 20 DJED N#CC1(CSCc2coc(-c3cccc(Cl)c3)n2)CC1 537317153 GGOCYDQOKKTZJC-UHFFFAOYSA-N 304.802 4.532 30 20 DJED CCC(C)(C)OCc1cccc(NC(=O)[C@](C)(C#N)CC)c1C 552266583 UCNGITFLSHMHLC-IBGZPJMESA-N 316.445 4.579 30 20 DJED C=CCCC1(C(=O)Nc2cc(Cl)cc3cccnc23)CC1 575181718 HAVXGLDDVLWJHP-UHFFFAOYSA-N 300.789 4.573 30 20 DJED CCC[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(OC)cc1 580175281 XHFCETWBRNFWAB-FQEVSTJZSA-N 320.436 4.687 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc([C@@H]2CCOC2)cc1 590262203 QJVCTVOGLXMJPY-NQIIRXRSSA-N 318.420 4.552 30 20 DJED CO[C@@H](c1ccc(Cl)cc1)[C@H](C)Nc1cccc(F)c1C#N 609894658 YTQRCTRJEQJLFA-APPDUMDISA-N 318.779 4.539 30 20 DJED C[C@@H](NCc1cnc(C2CCCC2)s1)c1cccc(C#N)c1 610860042 HXWQWHKGBVLOLN-CYBMUJFWSA-N 311.454 4.523 30 20 DJED N#CCC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 611394331 CQSJSFZQJZLKJV-SFTDATJTSA-N 315.420 4.570 30 20 DJED Cc1c([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)oc2ccccc12 618805657 OVCHKAZFVYZVHH-AUUYWEPGSA-N 316.404 4.951 30 20 DJED C#Cc1cccc(N(Cc2cccs2)C(=O)CCCCC)c1 728181372 DMTWQXGXVSGGSL-UHFFFAOYSA-N 311.450 4.843 30 20 DJED CCCC[C@H](CC)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730418156 RHVFLPDKNYEWOF-AAEUAGOBSA-N 318.417 4.828 30 20 DJED O=C(/C=C\c1coc(-c2ccccc2)n1)c1cc2ccccc2o1 731835434 CUEFHQKCCPDMHO-KHPPLWFESA-N 315.328 4.984 30 20 DJED COc1ccccc1/C=C1/CCc2cc(SC)ccc2C1=O 748147292 MFANGLHSZBYHMC-PTNGSMBKSA-N 310.418 4.630 30 20 DJED Cc1ccc(-c2nc(/C=C\C(=O)c3coc(C(C)C)n3)co2)cc1 752888681 NYWDCTNADOIJFO-HJWRWDBZSA-N 322.364 4.658 30 20 DJED Cc1nc(CON=Cc2ccc(C(C)(C)C)cc2)sc1C 755938780 ARCIBXSCHJQIAW-UHFFFAOYSA-N 302.443 4.608 30 20 DJED Cc1cc(/C=C2\C(=O)c3cccc4c3[C@@H]2CCC4)cnc1Cl 763289159 JWPQRPXIMBNWSZ-SLVCOGOPSA-N 309.796 4.743 30 20 DJED C#CCCCN(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 766903670 UTWPCRIQNAYCFV-QGZVFWFLSA-N 307.437 4.768 30 20 DJED O=C(/C=C/c1ccc(Cl)cc1Br)c1ccco1 769772063 VMFOHHKLKGSSOK-GQCTYLIASA-N 311.562 4.592 30 20 DJED CCCC(=CC(=O)[C@@H](C#N)c1ccc2ccccc2n1)CCC 771258351 GBTFFWYZTJSGIT-KRWDZBQOSA-N 306.409 4.938 30 20 DJED CC[C@H](Nc1ccc(OC)c2cccnc12)c1ccc(C#N)cc1 774356259 OVRIBBBBNCWUGW-KRWDZBQOSA-N 317.392 4.678 30 20 DJED CCCCC[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 775318681 KNKYMMREUDHMJN-NHCUHLMSSA-N 322.452 4.503 30 20 DJED CCOc1cc(/C=C/C(=O)c2csc(Cl)c2)ccc1OC 787187162 YETUJTUCKVXUOL-GQCTYLIASA-N 322.813 4.705 30 20 DJED C=CCCCCC[C@@H](C)Nc1cccc(N2CCCNC2=O)c1 793556863 ZSMJDARPIOEMEJ-MRXNPFEDSA-N 315.461 4.543 30 20 DJED O=C(/C=C/c1ccc(C(F)F)cc1)c1ccc2c(c1)COC2 794942940 SUPDZARLHDAPGZ-FPYGCLRLSA-N 300.304 4.551 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@H]2Nc1nc(Cl)c(C#N)s1 804352824 CZGIMMZSQUIPKO-SNVBAGLBSA-N 321.833 4.695 30 20 DJED COCc1ccccc1/C=C(C)/C=C\C(=O)c1ccc(OC)cc1 814187616 OEVITZRYUAIIPI-FEYJQQLRSA-N 322.404 4.684 30 20 DJED Cc1cccc(NC(=S)N(C)[C@@H](C)c2cccc(C#N)c2)c1C 819028749 PTZCAVMANQFTKT-HNNXBMFYSA-N 323.465 4.565 30 20 DJED CSCc1cnc(/C=C2/C[C@@H](C)c3ccccc3C2=O)s1 834430753 XNHZBYKHHPWBIM-HQQGHWSLSA-N 315.463 4.780 30 20 DJED C[C@H](Oc1ccc(C#N)cc1)c1nc(C2CCCCCC2)no1 904677673 CXMMLMWMOKTWMQ-ZDUSSCGKSA-N 311.385 4.519 30 20 DJED CCCCCCCCCNC(=O)Nc1ccc(CC#N)cc1 915331079 QZJHKYOWGNMDRA-UHFFFAOYSA-N 301.434 4.625 30 20 DJED CC(C)=CCC/C(C)=C/C=NNc1ncnc2sccc12 916368701 WQAYMQDTZCNOIB-MHONVUMFSA-N 300.431 4.782 30 20 DJED Cc1ccc(C(=O)N2CCCC(C)(C)c3ccccc32)cc1C#N 1127708175 UECWPEACSNXCRU-UHFFFAOYSA-N 318.420 4.585 30 20 DJED Cc1cc(NC(=O)c2ccsc2C#N)ccc1-c1ccccc1 1127764341 UZQYJFKSQLRTNB-UHFFFAOYSA-N 318.401 4.848 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)CC/C=C\c1ccccc1 1129983537 FIEKQELJGBBBAN-ACAQERRYSA-N 318.420 4.571 30 20 DJED Cc1cc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)ncc1C#N 1185365188 CCCYNEJDSFDIBU-BJOOFOGMSA-N 311.816 4.724 30 20 DJED C/C(=C/Cl)CSc1c(C#N)cnc2c(Cl)cccc12 1186305913 WMOHPPWOACKUMF-UITAMQMPSA-N 309.221 4.995 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1NC[C@@H]1C[C@H]1C1CCC1 1307148767 KIQCZMATNBYPFG-WFASDCNBSA-N 311.816 4.608 30 20 DJED Cc1cc(SCc2ccccc2C(C)(C)C#N)ccc1C#N 1307361311 JUWKOZNBNKPZQA-UHFFFAOYSA-N 306.434 4.960 30 20 DJED C[C@H](NCCc1ccc(C#N)cc1)c1ccc(Cl)cc1Cl 1307728845 BNMOWSGTWZJRBM-LBPRGKRZSA-N 319.235 4.758 30 20 DJED C=C(Cl)CNC(=O)Nc1cc(C)ccc1Oc1ccccc1 1310400939 RHAAUMLOUTUKFC-UHFFFAOYSA-N 316.788 4.661 30 20 DJED CCCCCCCC(=O)NC1(c2ccccc2OC)CCC1 1318591595 UUGMQZDQXPPOPS-UHFFFAOYSA-N 303.446 4.551 30 20 DJED C#CCCCCc1nnc([C@@H](C)Oc2ccc3ccccc3c2)o1 1328231598 LQHGZHYQSQPDPJ-OAHLLOKOSA-N 320.392 4.709 30 20 DJED N#Cc1ccc(NC(=O)C2(Cc3ccccc3)CCC2)cc1Cl 1352436376 ZDWGMOKCXPMWEO-UHFFFAOYSA-N 324.811 4.563 30 20 DJED CCc1ccccc1[C@@H]1C[C@H]1C(=O)O[C@@H](C)c1cccc(C#N)c1 1435509170 VXPHZBICCRMZMQ-PNHOKKKMSA-N 319.404 4.529 30 20 DJED CCC(CC)CN(CCC#N)C(=O)CC(C1CCC1)C1CCC1 1443564144 PQZYUBMIVUCQHD-UHFFFAOYSA-N 318.505 4.771 30 20 DJED CCC1(CC)CN(C(=O)c2ccc(C)c(C#N)c2)c2ccccc21 1458158253 GPMJJOOXVBELIU-UHFFFAOYSA-N 318.420 4.585 30 20 DJED Cc1cc(SCC(=O)c2ccc(C(C)C)cc2)ccc1C#N 1459141386 JZPLXZQREGGOOB-UHFFFAOYSA-N 309.434 4.965 30 20 DJED Cc1ccc(-c2ccc(C)c(NC(=O)c3csc(C#N)c3)c2)o1 1459850130 UZRPPKFAHZGHDW-UHFFFAOYSA-N 322.389 4.749 30 20 DJED CSc1cc(NC(=O)CC2(C#N)CCCCC2)ccc1Cl 1460914680 ORUFMHJTRRMLHC-UHFFFAOYSA-N 322.861 4.865 30 20 DJED CC(C)[C@H]1CCC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 1472688732 IJQGPBLVXDWAJS-AAEUAGOBSA-N 311.351 4.599 30 20 DJED N#Cc1ccc(NC(=O)c2ccc(C3CCCC3)cc2)cc1F 1527516754 SNANZCZTSUVBNE-UHFFFAOYSA-N 308.356 4.607 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2ccc(-c3ccccc3F)o2)c1 1535886898 VWYICLLQJXLMFL-UHFFFAOYSA-N 320.323 4.518 30 20 DJED CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1539250365 RPXPPCGEACWCMI-FZMZJTMJSA-N 324.346 4.732 30 20 DJED N#Cc1cc(F)cc(NC(=O)c2ccc(C3CCCCC3)cc2)c1 1588159071 GEYXQFOVVGXGCL-UHFFFAOYSA-N 322.383 4.997 30 20 DJED Cc1ccc(-n2ncc(NC[C@@H](C)CCC#N)c2C(C)C)cc1 1621249845 QZFNEAHKSZGZAZ-INIZCTEOSA-N 310.445 4.656 30 20 DJED CC(C)c1ccc([C@H](C)CC(=O)Nc2cc(F)cc(C#N)c2)cc1 1624287058 GPAILCUENPVQAH-CQSZACIVSA-N 324.399 4.953 30 20 DJED N#Cc1sc(Nc2cccc(OC3CCCC3)c2)nc1Cl 1639249510 MYRXWKOSMJULLA-UHFFFAOYSA-N 319.817 4.733 30 20 DJED COc1ccc([C@H](C)Sc2nc(Cl)c(C#N)s2)cc1 1651434433 WIRDTGOOSJGPNR-QMMMGPOBSA-N 310.831 4.530 30 20 DJED COc1ccc(C)cc1[C@H](C)Nc1nc(C(C)(C)C)ccc1C#N 1651925753 LOHSROXDJBUINP-AWEZNQCLSA-N 323.440 4.741 30 20 DJED CC(=O)[C@@](C#N)(CCSc1cccc(C)c1)c1ccccc1 1652625142 YCSYCBPSHQQNDH-IBGZPJMESA-N 309.434 4.528 30 20 DJED Cc1occc1CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1656071105 GQSBFHCXXIVTJZ-HNNXBMFYSA-N 316.404 4.978 30 20 DJED Cc1ccc([C@@H]2CCC[C@@H]2N(C)Cc2cccc(F)c2C#N)cc1 1658827029 DAWDDUAFDSZYLT-RXVVDRJESA-N 322.427 4.774 30 20 DJED CCC[C@@H](CC)NC(=O)Nc1scc(C(C)(C)C)c1C#N 1662084495 GUGJJOXGPWAOMB-LLVKDONJSA-N 307.463 4.617 30 20 DJED CC(C)(CC#N)CN[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 1664967210 WZSGBPUFMCFHJF-DOTOQJQBSA-N 304.865 4.896 30 20 DJED O=C(O)c1cc(C=NNc2ccc(-c3ccccc3)cc2)cs1 1776059742 IFLOAIUFSIRTTR-UHFFFAOYSA-N 322.389 4.559 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1ccc(C)cc1C 1776783950 BMFGIGGUPASIIE-GOSISDBHSA-N 305.462 4.597 30 20 DJED Cc1ccc(-c2ccsc2C(=O)[C@@H](C#N)c2ccccn2)cc1 49457193 KSUQNEREIQAMFI-INIZCTEOSA-N 318.401 4.609 30 20 DJED C=CCN(CCc1ccccc1)C(=O)c1cc(C)n(C(C)C)c1C 65912378 ZWHWTSRYJAISNS-UHFFFAOYSA-N 324.468 4.557 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCc1ccccc1F 66861093 MHXDWECBBRXKHP-ZDUSSCGKSA-N 300.402 4.832 30 20 DJED COc1ccc2cc(C(=O)/C=C/c3scnc3C)ccc2c1 78692035 YTGXADNRPCJZJK-BQYQJAHWSA-N 309.390 4.509 30 20 DJED CCCCCCCCCC(=O)N1CCC[C@@H]1c1ccncc1 127847861 PDZGUIAJXOPFBT-GOSISDBHSA-N 302.462 4.886 30 20 DJED CCc1ccc([C@@H](C)C(=O)N[C@@H](CCC#N)c2ccccc2)cc1 153254020 BWSJXPYXKNIJOT-UZLBHIALSA-N 320.436 4.514 30 20 DJED Cc1sc([C@H](C)NCCCC#N)nc1-c1ccc(Cl)cc1 184948296 WKJNMUDVOLXNAX-NSHDSACASA-N 319.861 4.726 30 20 DJED N#CCCCOc1cccc(CNc2ccc3scnc3c2)c1 192257016 OWYGSCQEPIGAHF-UHFFFAOYSA-N 323.421 4.591 30 20 DJED COc1cccc(/C=C\C(=O)c2ccc(C)cc2)c1OC(F)F 206087270 IQXOVYPMQADOAO-KHPPLWFESA-N 318.319 4.501 30 20 DJED CCCC[C@H](NCc1ccc(OCC#N)cc1)c1ccccc1 266771850 JUEZYQQQGSZCQT-FQEVSTJZSA-N 308.425 4.610 30 20 DJED CC(C)Sc1ccccc1NCCCC1(C#N)CCOCC1 280910027 CJBYAZFSBUBRGM-UHFFFAOYSA-N 318.486 4.700 30 20 DJED C[C@@H](CSCCCC1(C#N)CCOCC1)c1ccccc1 281117389 ZTDZWVQKTMYCAE-INIZCTEOSA-N 303.471 4.624 30 20 DJED O/C(=N/Cc1nc2ccccc2[nH]1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 329019056 RSTFSJQUSDOHKY-SOUVJXGZSA-N 311.429 4.626 30 20 DJED Cc1cc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c(C)s1 341756052 BSXAOAOVYPSNAR-BFUOFWGJSA-N 310.466 4.965 30 20 DJED Cc1oc(C(C)C)cc1C(=O)Nc1sc(C)c(C)c1C#N 360935228 FNFMTODKYCRVFD-UHFFFAOYSA-N 302.399 4.514 30 20 DJED CC[C@H](N[C@H](C)c1cc(C)ccc1OC)c1ccc(C#N)cc1 414155432 NMPJQLJIEZPKDV-BEFAXECRSA-N 308.425 4.677 30 20 DJED C=CCC(C)(C)C(=O)NCC(c1ccccc1)c1ccccc1 429918909 FKFCZQAQJOABOU-UHFFFAOYSA-N 307.437 4.537 30 20 DJED N#CCC1(CN[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 430736445 DNCKLMYQYWJEHV-JKSUJKDBSA-N 322.374 4.625 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1cccc(-c2ccccc2OC)c1 439492245 DIJPNGIUSAFTCR-MRXNPFEDSA-N 324.424 4.838 30 20 DJED Cc1ccc(-c2n[nH]c(S[C@H](C)c3cccc(C#N)c3)n2)cc1 442913958 KFAVMLLYKRVWTH-CYBMUJFWSA-N 320.421 4.505 30 20 DJED CC(C)CN(C(=O)c1ccc(C#N)s1)c1cccc(Cl)c1 456792159 AJSSCAQOVYDMOW-UHFFFAOYSA-N 318.829 4.576 30 20 DJED Cc1ccc(Cl)c(NC(=O)[C@@H](C)c2cccc(C#N)c2)c1C 464461164 MJVMISJOAQGZHC-ZDUSSCGKSA-N 312.800 4.571 30 20 DJED CC(C)(C#N)CCCN(Cc1cccc(F)c1)C1CCCC1 472426782 AYOHKGNQXSVLNO-UHFFFAOYSA-N 302.437 4.900 30 20 DJED N#CC[C@@H](CC(=O)Nc1ccc(Cl)cc1F)c1ccccc1 474091213 WULONEKIHNWSJZ-ZDUSSCGKSA-N 316.763 4.505 30 20 DJED COc1cc(C#N)ccc1CN(C)[C@@H](C)c1cc2ccccc2o1 501256907 JPPYOONOJKJWRO-AWEZNQCLSA-N 320.392 4.506 30 20 DJED C[C@H](CN[C@H](CC(F)(F)F)c1ccc(F)cc1)C(F)(F)F 538177560 ZROKYJFNTXYALK-LDYMZIIASA-N 317.248 4.607 30 20 DJED C=CCC[C@H](NCc1c(F)cccc1SC)c1ccco1 560574873 QIFXVWYGJINRHX-HNNXBMFYSA-N 305.418 4.938 30 20 DJED CCCN(Cc1ccc(C#N)cn1)[C@H](C)c1cc2ccccc2o1 567483225 QDRYHXQZNJQBAQ-OAHLLOKOSA-N 319.408 4.673 30 20 DJED CC(C)Oc1ccc([C@H](C)N[C@H]2CCc3ccc(C#N)cc32)cc1 569055310 FUQSDTMQBGZKGL-BTYIYWSLSA-N 320.436 4.684 30 20 DJED Cc1cc(N2CCCCCC2)ccc1N[C@@H]1CCC[C@@H](C#N)C1 586795027 ZJSBIBIHDSWWDN-QZTJIDSGSA-N 311.473 4.870 30 20 DJED N#Cc1ccc(CNc2ccc3ccoc3c2)c(C(F)(F)F)c1 589317880 ZSCRXRZJSVPBLG-UHFFFAOYSA-N 316.282 4.935 30 20 DJED COc1ccc([C@H](CC(C)C)NCC(C)(C)CCC#N)cc1 592390089 JZNRUTRKDJRQEN-SFHVURJKSA-N 302.462 4.702 30 20 DJED N#CCC1(CSCc2cc(-c3ccc(Cl)cc3)no2)CC1 596334488 AEQHQIQHTJPKSB-UHFFFAOYSA-N 318.829 4.922 30 20 DJED N#Cc1ccc(CN[C@@H]2CCCc3ccc(Cl)cc32)c(F)c1 599022480 LJKYALOPABOQAL-GOSISDBHSA-N 314.791 4.518 30 20 DJED COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@@H](C)c1cccc(C#N)c1 616092256 WZEDPQRZOJIAJW-XOBRGWDASA-N 320.436 4.640 30 20 DJED CC[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccccc1F 619754606 FVCVCZWEVMTDDS-KRWDZBQOSA-N 302.780 4.592 30 20 DJED Cc1cccc2c1[C@H](C)C[C@H]2NCc1ccc(C#N)c(Cl)c1 619754994 QFBTZQCTNQSWRY-FZKQIMNGSA-N 310.828 4.858 30 20 DJED N#C[C@H](C(=O)c1ccc2c(c1)CCC=C2)c1ccc2ccccc2n1 671278967 RMZWSIIUFNLVOB-IBGZPJMESA-N 324.383 4.684 30 20 DJED CC(C)c1ccc2c(Cl)c(C(=O)NC[C@H](C)C#N)sc2c1 732658683 JQOHCXUHBUKFOW-SNVBAGLBSA-N 320.845 4.568 30 20 DJED Cc1ccsc1C(=O)/C=C\c1cc(Br)cs1 733748976 PDEZKPZTJXZVTA-IHWYPQMZSA-N 313.241 4.777 30 20 DJED Cc1ccc([C@H]2CCCCCN2Cc2ccc(OCC#N)cc2)o1 738344302 YYWDPHRPWDEWEY-LJQANCHMSA-N 324.424 4.608 30 20 DJED CCCCCC1=C(C)CCC1=NNc1cc(Cl)nc(C)n1 741763851 HUFORMAQGKLXMX-UHFFFAOYSA-N 306.841 4.897 30 20 DJED COc1cccc(C(=O)/C=C/c2coc(-c3ccc(C)cc3)n2)c1 748440773 NGNRKUXLVBJRGR-ZHACJKMWSA-N 319.360 4.555 30 20 DJED C=CCOc1cccc(/C=C\C(=O)c2c[nH]c3cc(F)ccc23)c1 749450591 ASKJGYXNEZKMDD-TWGQIWQCSA-N 321.351 4.768 30 20 DJED CCOC(=O)Nc1ccc(N[C@H](C)c2ccccc2C)cc1C#N 752796160 LIHDWRZHGFNPDP-CQSZACIVSA-N 323.396 4.608 30 20 DJED Cc1ccc2c(C)cc(NN=CC(C)(C)CCC#N)nc2c1C 755591247 AWBWHGGSECRCRH-UHFFFAOYSA-N 308.429 4.888 30 20 DJED C=CC[C@@H](N[C@H](CC)c1ccc(N(C)C)cc1)c1ccncc1 766018107 GAAJOXWMARLHSN-WOJBJXKFSA-N 309.457 4.506 30 20 DJED CCCCOc1ccccc1/C=C/C(=O)c1cnn(C(C)C)c1 767358744 DOEKGRFWWGSLIU-ZHACJKMWSA-N 312.413 4.539 30 20 DJED CC(C)(C#N)c1ccccc1CON=Cc1ccc(Cl)cc1 767823403 DOYCXWFDVFFJRO-UHFFFAOYSA-N 312.800 4.692 30 20 DJED Cc1cc(F)ccc1-c1ccc(/C=C\C(=O)c2cscn2)o1 776192268 NQNVDOWMALLOCI-UTCJRWHESA-N 313.353 4.747 30 20 DJED O=C1/C(=C\c2nccc3ccccc23)CCc2ccc(F)cc21 776193764 UYNCXXLDUSNDFB-PTNGSMBKSA-N 303.336 4.586 30 20 DJED CC(C)Cc1ccc(CNc2ccc(F)cc2OCC#N)cc1 779604942 MKVNCFRBVAIAGX-UHFFFAOYSA-N 312.388 4.539 30 20 DJED C=CCCCCC[C@H](C)Nc1ccc(CN2CCCC2=O)cc1 793546323 NSUDSKHTSZIIKG-KRWDZBQOSA-N 314.473 4.746 30 20 DJED N#Cc1c(Cl)nsc1N[C@H]1CC[C@H](c2cccc(F)c2)C1 795273914 JNXKOWBVDCOUNL-JQWIXIFHSA-N 321.808 4.555 30 20 DJED CC(=NNc1ncnc(Cl)c1C(C)C)c1cc(C)sc1C 797404759 PTUQJSQFIXOMKV-UHFFFAOYSA-N 322.865 4.768 30 20 DJED C[C@@H]1/C(=C/c2ccc(F)c(C#N)c2Cl)C(=O)c2ccccc21 809156353 LDXBXLVSMIJIJE-WULZRQGASA-N 311.743 4.734 30 20 DJED C=CC[C@@H](NC(=O)c1ccc(C2CCCC2)cc1)c1ccncc1 810408764 RUWQZHFUJZVFFN-HXUWFJFHSA-N 320.436 4.786 30 20 DJED CCOc1cccc2cc(C(C)=NNc3ccccc3F)oc12 812459577 BMXLZSUREKKOCD-UHFFFAOYSA-N 312.344 4.807 30 20 DJED CCCCCCCCCCCC(=O)N1Cc2cccnc2C1 819963784 LQTIOKFBTFVJSX-UHFFFAOYSA-N 302.462 4.845 30 20 DJED Nc1ccc(/C=C\C(=O)c2ccc(C3CCCCC3)cc2)cn1 821028369 SEZVCEFIUXTVFZ-SDQBBNPISA-N 306.409 4.608 30 20 DJED Fc1ccc(C=NOCc2cc(Cl)cc3cccnc23)cc1 914786888 RVNMVDLBIAHXQZ-UHFFFAOYSA-N 314.747 4.578 30 20 DJED CC(=NNc1nccc2sccc12)c1cc(C)sc1C 915980464 WOGAWNDQSAAGPX-UHFFFAOYSA-N 301.440 4.811 30 20 DJED CC(=O)Nc1cccc(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)c1 916137852 GIIOLUXHUGIDIK-RAXLEYEMSA-N 321.420 4.839 30 20 DJED Cc1c(C(=O)O)oc2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)CC2 920065972 PJLLIZYJQYHMDA-XNTDXEJSSA-N 324.376 4.622 30 20 DJED O=C1/C(=C\c2ccccc2OC(F)F)Cc2c(Cl)cccc21 921264056 NWYAGABVIJZSBU-FLIBITNWSA-N 320.722 4.764 30 20 DJED CC(C)(C#N)CCCN1CCCc2c(Br)cccc21 1176903337 YATOEFAOELGQHG-UHFFFAOYSA-N 321.262 4.532 30 20 DJED N#Cc1ccc(-c2ccccc2)nc1SCC1(C#N)CCCC1 1188779486 NHZPKELEEVFVQO-UHFFFAOYSA-N 319.433 4.796 30 20 DJED CCC(C)(C)CNc1cc(C)c(C#N)c2nc3ccccc3n12 1307095026 CSMUXNOEQQUVDD-UHFFFAOYSA-N 306.413 4.516 30 20 DJED N#CC1(CN[C@@H](c2cccc(Cl)c2)C2CCCCC2)CC1 1307628129 IBCPYRNVXJDBNO-QGZVFWFLSA-N 302.849 4.855 30 20 DJED CC1(C)CC(C(=O)OCc2ccc(CC#N)cc2)CC(C)(C)C1 1435687570 VSIWOADMJFDDJD-UHFFFAOYSA-N 313.441 4.648 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)c1ccc(Cl)s1 1436728479 QIVHBUYTGMKCAS-UHFFFAOYSA-N 312.781 4.679 30 20 DJED CCC(C)(C)c1ccc(CN2CCc3ccc(C#N)cc32)cc1 1459889592 PSDZKIYNIZVAEC-UHFFFAOYSA-N 304.437 4.809 30 20 DJED C[C@@H](NCc1cc(Cl)ccc1OCC#N)C1CCCCCC1 1459920407 GCKBCJMBCOIVIG-CQSZACIVSA-N 320.864 4.691 30 20 DJED Cc1ccc(Oc2ccccc2CCN[C@@H]2CC[C@H](C#N)C2)cc1 1462342391 NONQGBYXZZWONR-PKOBYXMFSA-N 320.436 4.612 30 20 DJED C[C@H](c1cccc(C#N)c1)N1CC2(CCC2)c2c(F)cccc21 1473224660 RCXWAJKPTPWSOD-CQSZACIVSA-N 306.384 4.700 30 20 DJED Cc1ccc([C@@H]2C[C@H](C)N([C@@H](C)c3ccc(C#N)cc3)C2)cc1 1473431821 HJSKSSJAFRWMNT-XGHQBKJUSA-N 304.437 4.806 30 20 DJED CCCCN(C(=O)c1cc(C#N)ccc1F)[C@H]1CCC[C@H](C)C1 1527352108 RMKJSGJWRJBGFS-HOCLYGCPSA-N 316.420 4.518 30 20 DJED CC[C@@H](C#N)N(C)C(=O)c1ccc(C)cc1Sc1ccccc1 1530452658 VCZUPLRWHIZHNC-HNNXBMFYSA-N 324.449 4.520 30 20 DJED CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1cc(C(C)(C)C)sc1C#N 1535488856 REKHTPMNXAGKCT-APPDUMDISA-N 304.459 4.538 30 20 DJED C[C@@H]1CC[C@@H](C(=O)N(c2ccc(C#N)cc2)C2CCC2)C[C@H]1C 1586911899 MGBOHXVILWMUBD-BFYDXBDKSA-N 310.441 4.516 30 20 DJED Cc1ccccc1[C@H](C)C(=O)N(c1ccccc1C#N)C1CCC1 1587309634 AGQJCMJAVNXQOJ-INIZCTEOSA-N 318.420 4.556 30 20 DJED Cc1cc(CSc2ccc(C#N)cc2Cl)ccc1N(C)C 1613627052 DWQSDXIORNDCMH-UHFFFAOYSA-N 316.857 4.878 30 20 DJED N#Cc1cc(CN(c2ccc(F)cc2)C2CCCC2)ccc1F 1616068378 UKHVZHGTFMZZCH-UHFFFAOYSA-N 312.363 4.786 30 20 DJED CCOc1ccccc1[C@@H](CC(C)C)Nc1ccc(C#N)c(C)n1 1642380040 AXMFBYGXGACEBX-GOSISDBHSA-N 323.440 4.860 30 20 DJED Cc1nc(N[C@H](c2ccccc2F)C2CCCC2)ccc1C#N 1642400768 KHVYUOPMIQSOOK-IBGZPJMESA-N 309.388 4.744 30 20 DJED Cc1ccc(Oc2cccc(NC(=O)C3(C#N)CCC3)c2)c(C)c1 1643881445 QHZXURBMHUVCAE-UHFFFAOYSA-N 320.392 4.728 30 20 DJED C[C@@H](Nc1nc(Cl)c(C#N)s1)c1cc(Cl)ccc1F 1655349137 SDGJVRYHGGRQOK-ZCFIWIBFSA-N 316.188 4.634 30 20 DJED CC(C)N(Cc1cccs1)Cc1ccc(Cl)cc1C#N 1657073470 PGDHLHDGRKIJNJ-UHFFFAOYSA-N 304.846 4.684 30 20 DJED Cc1ccc([C@H]2[C@H](C)CCCN2Cc2ccc(F)cc2C#N)cc1 1657395013 VBMVRZGXPRNFLB-IIBYNOLFSA-N 322.427 4.979 30 20 DJED CC(C)[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1F 1659407035 AMVSSHRMZLKXAE-IFIJOSMWSA-N 308.828 4.848 30 20 DJED Cc1cc(CN(C)Cc2cccc(C(F)(F)F)c2)ccc1C#N 1663691126 PWCQWSNBJXGOLJ-UHFFFAOYSA-N 318.342 4.518 30 20 DJED CN(C(=O)Nc1cc(C#N)ccc1F)c1ccc2ccccc2c1 1672126182 STGKBBYHTUAJBZ-UHFFFAOYSA-N 319.339 4.519 30 20 DJED CC(C)CCC(=NNc1ccc(Cl)c(C(=O)O)c1)C1CC1 1776033871 RPZOOQMQGVYFTK-UHFFFAOYSA-N 308.809 4.652 30 20 DJED CCCCc1ccc(C(=O)/C=C/c2ccc(C(=O)O)s2)cc1 1776806019 STWJNFKGYZBXKL-PKNBQFBNSA-N 314.406 4.685 30 20 DJED CC[C@@H](C)[C@H](C(=O)Nc1ccc(CC#N)cc1)c1ccccc1 57821078 YHVJTSMIDOTDEW-BEFAXECRSA-N 306.409 4.521 30 20 DJED O=C1/C(=C\c2csc(-c3ccsc3)n2)Cc2ccccc21 63275233 UONJRSYBXUQPNV-JYRVWZFOSA-N 309.415 4.694 30 20 DJED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCC2 90664904 JLRPATNCLFUYEG-IERDGZPVSA-N 304.437 4.871 30 20 DJED COc1ccc(C(=O)/C=C\c2cccc3ccccc23)cc1OC 96766920 ZMGHNHWGAPMRMP-BENRWUELSA-N 318.372 4.753 30 20 DJED C#Cc1cccc(NC(=O)N2CCCCC[C@H]2c2ccc(C)o2)c1 151815930 RHWOGABSLCZDAE-SFHVURJKSA-N 322.408 4.719 30 20 DJED CC#CCCCC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 186088397 CQRZXHFZINXLJD-KRWDZBQOSA-N 320.436 4.992 30 20 DJED C=CCn1c(SCc2csc(CC)n2)nc2ccccc21 253605133 JQTRIXDUUHOTMI-UHFFFAOYSA-N 315.467 4.534 30 20 DJED Cc1csc([C@H](C#N)C(=O)c2coc3ccc(C(C)C)cc23)n1 347517451 LQWUNIGKLZUTMQ-CQSZACIVSA-N 324.405 4.811 30 20 DJED CCc1cnccc1[C@@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 360664957 SXCDLQCLPBZOBS-QVKFZJNVSA-N 319.452 4.634 30 20 DJED C=CCN(CCC#N)Cc1ccc(-c2ccccc2Cl)o1 430109624 DCYDKFHBSVUBBF-UHFFFAOYSA-N 300.789 4.502 30 20 DJED C=CCC[C@@H](NC(=O)Nc1cccc(COC)c1)c1ccccc1 435671438 JMRAJZZUSNWWIQ-LJQANCHMSA-N 324.424 4.662 30 20 DJED CCSc1ccc([C@@H](C)Nc2ccc(F)cc2C#N)cc1 462827990 SIUDDLRMOYYBKB-GFCCVEGCSA-N 300.402 4.982 30 20 DJED N#Cc1cc(NCc2cccc3cc[nH]c23)ccc1C(F)(F)F 466365052 RIDRSOQTSDKIMK-UHFFFAOYSA-N 315.298 4.670 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1cc2c(s1)CCCCC2 471172623 HWVBTFMIIQTUDW-UHFFFAOYSA-N 318.486 4.561 30 20 DJED C=CCCCCNC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 471706549 QSSUYEWQBGQMAV-ZDUSSCGKSA-N 313.363 4.672 30 20 DJED CCC[C@]1(C)CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 476229606 XVMVJRAFIGAWHO-HXUWFJFHSA-N 312.457 4.530 30 20 DJED CC[C@@H](c1ccccc1)N(CC)C(=O)Nc1cc(C#N)ccc1C 476824993 LMXQTNAKIQSYGS-IBGZPJMESA-N 321.424 4.872 30 20 DJED C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(C#N)s1 487598693 ODHHJJPLQLGVNJ-AWEZNQCLSA-N 324.449 4.623 30 20 DJED C=CCOc1ccc(CNCc2cc3c(C)cc(C)cc3[nH]2)cc1 512560956 HSYHKJLJYRPOJO-UHFFFAOYSA-N 320.436 4.639 30 20 DJED CC[C@H](CC#N)N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 514741916 VXBFXHNYUINQEV-OWCLPIDISA-N 310.363 4.623 30 20 DJED C=CCCCCCN(C)C(=O)Nc1nc2ccccc2s1 523551848 GLUVGKOLSFJQCX-UHFFFAOYSA-N 303.431 4.506 30 20 DJED C=C[C@@H](CC(=O)N[C@H](C)c1cccc(OCC)c1)c1ccccc1 536094019 DBQRZRUXIXLYEL-SJORKVTESA-N 323.436 4.622 30 20 DJED C[C@H](N[C@H](CC(F)(F)F)c1ccccc1)c1cccc(C#N)c1 540596528 OYIQRGYSDXUYNS-SUMWQHHRSA-N 318.342 4.903 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCC(C)(C)C1 541935957 LBTHMMXKDJRCTP-KGLIPLIRSA-N 316.470 4.846 30 20 DJED C=CCC(C)(C)c1noc(-c2cc(F)ccc2-c2ccoc2)n1 556362278 LJAUEYWYWIJICV-UHFFFAOYSA-N 312.344 4.989 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C 558315530 JXIPKRDTLUZLRY-GDBMZVCRSA-N 313.445 4.545 30 20 DJED COc1ccc(C)cc1[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 565546528 YDLAPNJLFBLGMQ-MGPUTAFESA-N 320.436 4.604 30 20 DJED C=CCCCCCN(C)C(=O)Cc1c[nH]c2ccc(Cl)cc12 606815600 PZIKGPCAJLPLKI-UHFFFAOYSA-N 318.848 4.569 30 20 DJED CO[C@H](c1ccc(Cl)cc1)[C@H](C)Nc1cccc(F)c1C#N 609894660 YTQRCTRJEQJLFA-GTNSWQLSSA-N 318.779 4.539 30 20 DJED CCCc1ccc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1 618806295 QJFKWSZATBJYIM-VFNWGFHPSA-N 304.437 4.849 30 20 DJED C=CCN(Cc1cccs1)Cc1nc(-c2ccccc2)oc1C 645078059 IWTUEYIRBLMPLU-UHFFFAOYSA-N 324.449 4.900 30 20 DJED C=CC[C@@H]1CCCC[C@H]1N[C@@H]1CCO[C@@H](c2cccs2)C1 658031632 LSGYAQDGLBLYSG-QBPKDAKJSA-N 305.487 4.693 30 20 DJED C[C@H]1C[C@@H](Nc2cc(F)cc(C#N)c2)c2ccsc2S1 718509847 JGKSBQNEJILXGU-LKFCYVNXSA-N 304.415 4.796 30 20 DJED C#Cc1cccc(N(C(=S)Nc2cccc(CC)c2)C(C)C)c1 728226947 QOEZYMSXYMSWDS-UHFFFAOYSA-N 322.477 4.842 30 20 DJED Cc1cc(/C=C/C(=O)c2cccc(OC(F)F)c2)ccc1F 729148553 BZOLHBWWOWMVHC-SOFGYWHQSA-N 306.283 4.632 30 20 DJED CCCCCCCC(=O)N1[C@@H](C)[C@@H](c2ccccc2)OC[C@H]1C 731889494 DKPMTTDTVWOQAL-UWVAXJGDSA-N 317.473 4.724 30 20 DJED C#CCOc1ccc(CN[C@@H](CC(C)C)c2cccs2)cc1 733325153 AVKVDAIQTVFKHK-SFHVURJKSA-N 313.466 4.637 30 20 DJED C[C@H](CCC(C)(C)C)NC(=S)Nc1ccc(C#N)c(Cl)c1 735988007 XHXYETFSMMWDFV-LLVKDONJSA-N 323.893 4.713 30 20 DJED CCCCCCCCC/C=C\C(=O)N1CCC2(CCOCC2)C1 743783742 GYAHMFYYVGIFKA-KHPPLWFESA-N 321.505 4.712 30 20 DJED C/C(=C/C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)C(C)(C)C 744119953 YMBSRRHOLGEPSP-MQGYJPLLSA-N 316.401 4.604 30 20 DJED COc1cc(/C=C\C(=O)c2ccc(F)cc2F)ccc1SC 746342060 KTTKNZLSMABVIO-CLTKARDFSA-N 320.360 4.591 30 20 DJED N#Cc1c(F)cccc1N[C@@H]1CC2(CCC2)Oc2ccccc21 757785725 FDFSMZWRUHJMGK-QGZVFWFLSA-N 308.356 4.556 30 20 DJED CC(C)c1ncc(/C=C2\CSc3c(F)cccc3C2=O)s1 758430001 NQBWMYHTNNINHL-UXBLZVDNSA-N 319.426 4.778 30 20 DJED CC(C)c1ncc(/C=C\C(=O)c2cn(C)c3ccccc23)s1 758434771 UXCDWJDBXGIXSC-HJWRWDBZSA-N 310.422 4.654 30 20 DJED COCc1ccc(/C=C2/C(=O)c3cccc4c3[C@@H]2CCC4)cc1 763288694 IQBRNKUMXRLBJS-MIQLPHMESA-N 304.389 4.533 30 20 DJED CC(C)(C)c1ccc(C=NOCc2ccc(Cl)cn2)cc1 767534593 PQEMAYGWFGLEKD-UHFFFAOYSA-N 302.805 4.583 30 20 DJED N#Cc1c(Cl)nsc1S[C@@H]1CCCc2ccccc21 771237957 XDWZADQHGJVXNS-GFCCVEGCSA-N 306.843 4.838 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2cccc3ccccc23)c(F)c1 772803949 WJHFHBWLMLCBGK-ZHACJKMWSA-N 301.320 4.747 30 20 DJED C#CCCCCC(=O)Nc1nc(-c2ccccc2Cl)cs1 773349036 JRJQHZPQLYKYST-UHFFFAOYSA-N 318.829 4.596 30 20 DJED Cc1ccc([C@@H](NCc2cc(C#N)ccc2F)C2CCCC2)o1 775633624 QUPKTNUNMUKEAN-IBGZPJMESA-N 312.388 4.620 30 20 DJED N#CCOc1cccc(NCc2ccc(-c3ccccc3F)o2)c1 779588555 NYRWECZOZJWFPP-UHFFFAOYSA-N 322.339 4.600 30 20 DJED FC(F)(F)[C@@H]1CCCC(=NNc2ccc3ccccc3n2)C1 783508288 VKMABBWYNRIZSN-GFCCVEGCSA-N 307.319 4.755 30 20 DJED Clc1ccc(C2CC(=NNc3ncccc3Cl)C2)cc1 783833617 VOIQVDJFSSRLOY-UHFFFAOYSA-N 306.196 4.734 30 20 DJED CC[C@H](CC#N)OC(=O)c1sc2cc(C)ccc2c1Cl 787084766 ROBUJCBFLUXJPJ-SNVBAGLBSA-N 307.802 4.712 30 20 DJED O=C(/C=C\c1cnc(-c2ccco2)s1)c1ccc(Cl)cc1 788096353 AYRVNIJBZFIAKS-FPLPWBNLSA-N 315.781 4.953 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C/c3ccsc3Cl)c2c1 790220466 VPBQKMMMAIVKTR-GORDUTHDSA-N 317.797 4.788 30 20 DJED CCC(=NNc1ncnc(Cl)c1C(C)C)c1ccc(F)cc1 797404394 JPENOCIQVLVANC-UHFFFAOYSA-N 320.799 4.619 30 20 DJED Cc1nn(C(C)C)cc1/C=C1\C(=O)c2ccccc2[C@@H]1C(C)C 798370612 SHMIYILFJQJKLU-UDKWZTAFSA-N 308.425 4.792 30 20 DJED C[C@H](C#N)OCCSCc1ccccc1Oc1ccccc1 802749675 JPHVRYRQRXMXDM-OAHLLOKOSA-N 313.422 4.641 30 20 DJED COc1ccc(/C=C2\CSc3ccc(F)cc3C2=O)cc1C 810228287 FDFQORZLVAHCSH-MDWZMJQESA-N 314.381 4.515 30 20 DJED Fc1ccc(CON=C2CC(c3cc(F)cc(F)c3)C2)cc1 814903779 ZZMNZEBTGSXBQH-UHFFFAOYSA-N 305.299 4.554 30 20 DJED CSc1cc(C)ccc1NCc1ccc(O[C@@H](C)C#N)cc1 840956598 YWFFSWKTMBFODH-AWEZNQCLSA-N 312.438 4.620 30 20 DJED Cc1cc(F)ccc1[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 841763409 XMEKZYCWERSVPU-VBKZILBWSA-N 308.400 4.734 30 20 DJED C[C@@H](CC(=O)N(O)Cc1cccc2ccccc12)c1ccccc1 901367846 MBJXPVZSLUZSPR-INIZCTEOSA-N 319.404 4.751 30 20 DJED CCCCCCCC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 913138549 AWMXCSDZLKKCMI-GOSISDBHSA-N 319.445 4.543 30 20 DJED O=C(/C=C/c1ccc(O)c(Cl)c1)c1nc2ccccc2s1 921265558 LEOPRBDUBMVEGC-SOFGYWHQSA-N 315.781 4.551 30 20 DJED CCCc1ccc(CCCC(=O)Nc2cc(F)cc(C#N)c2)cc1 1132224137 CVQFHQBEFQISGH-UHFFFAOYSA-N 324.399 4.611 30 20 DJED CC(C)CCc1ccc(Nc2c(C#N)nnc3ccccc23)cc1 1185107111 QALHWPSJUNVQRP-UHFFFAOYSA-N 316.408 4.834 30 20 DJED CCC1(C)CCN(c2c(C#N)cnc3c(Cl)cccc23)CC1 1185126938 KUWWLWJIBSIEOY-UHFFFAOYSA-N 313.832 4.776 30 20 DJED N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(Cl)cc1 1191156992 POINFRWRPDBDCL-RBUKOAKNSA-N 310.828 4.612 30 20 DJED CN(Cc1ccc(-c2ccccc2C#N)cc1)C1CC(C)(C)C1 1194994227 ULMPJDNEFMBFDY-UHFFFAOYSA-N 304.437 4.846 30 20 DJED CCC[C@@H](CC)C(=O)Nc1ccccc1SC[C@@H](C)C#N 1265068847 DGUIZDVGZCFGAT-UONOGXRCSA-N 304.459 4.703 30 20 DJED N#Cc1ccc(Oc2ccc(Nc3ncncc3Cl)cc2)cc1 1306947301 RRMUXJUHARVACA-UHFFFAOYSA-N 322.755 4.538 30 20 DJED CC(C)CCOc1ccccc1NCc1cc(C#N)cs1 1308448516 JLIQZJHRZNUTMU-UHFFFAOYSA-N 300.427 4.657 30 20 DJED N#Cc1ccc(-c2nnc(-c3cc4cccc(Cl)c4o3)o2)cc1 1322893213 KWLFTQKAZAIFQH-UHFFFAOYSA-N 321.723 4.675 30 20 DJED CC(C)Cc1ccc(CC(=O)O[C@H](C)c2cccc(C#N)c2)cc1 1457761127 SSXPSFZLYMRIBZ-MRXNPFEDSA-N 321.420 4.604 30 20 DJED C[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)CCc2ccc(Cl)cc21 1460342579 XODUVTOIHCBEAE-CABCVRRESA-N 324.855 4.934 30 20 DJED Cc1ccc(Oc2ccccc2CCN[C@@H]2CC[C@@H](C#N)C2)cc1 1462342389 NONQGBYXZZWONR-IEBWSBKVSA-N 320.436 4.612 30 20 DJED Cc1ccccc1SC[C@@H](C)COc1cccc(F)c1C#N 1473008088 MTBRBMMRZBMMQI-ZDUSSCGKSA-N 315.413 4.813 30 20 DJED CC(C)CC[C@@H]1CCCN1Cc1cc(Cl)ccc1OCC#N 1473273747 RMSHIMSXNPYYIQ-KRWDZBQOSA-N 320.864 4.643 30 20 DJED Cc1cc(Br)c(CNc2cc(C#N)ccc2C)s1 1474172689 ZGYBXMXISAZBMT-UHFFFAOYSA-N 321.243 4.611 30 20 DJED CC(C)[C@@H]1C[C@H](NC(=O)Nc2ccc(C#N)cc2)c2ccccc21 1475824399 TVLUKLIPLKETMG-OALUTQOASA-N 319.408 4.564 30 20 DJED C[C@@H](OC(=O)c1ccc(Cl)cc1Cl)c1ccc(C#N)cc1 1515124039 JAQSIPDZBYAFSB-SNVBAGLBSA-N 320.175 4.783 30 20 DJED C[C@@H](OC(=O)c1ccc(C(C)(C)C)s1)c1ccc(C#N)cc1 1515135195 BTAXLNZKUABYGF-GFCCVEGCSA-N 313.422 4.835 30 20 DJED CC[C@@H](C#N)[C@@H](OC(=O)c1coc(SC)c1)c1cccs1 1525978928 UXJIJRCRMRRLEW-IINYFYTJSA-N 321.423 4.511 30 20 DJED C[C@@H]1CC[C@@H](C(=O)Nc2sc3c(c2C#N)CCCCCC3)C1 1526034139 NGOZRDVXICKVLQ-CHWSQXEVSA-N 316.470 4.653 30 20 DJED CC[C@@H](C)[C@@H](C)NC(=O)c1ccccc1Oc1ccccc1C#N 1530089242 ZLPHXBXSAQBDFN-HUUCEWRRSA-N 322.408 4.515 30 20 DJED CCC[C@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1539250369 RPXPPCGEACWCMI-SMDDNHRTSA-N 324.346 4.732 30 20 DJED N#Cc1cnnc(Nc2ccc(Oc3cccc(Cl)c3)cc2)c1 1559086730 LXFQCFIUBUXQJH-UHFFFAOYSA-N 322.755 4.538 30 20 DJED Cc1cccc(Cl)c1COC(=O)c1ccc(Cl)c(C#N)c1 1588046594 QCCWUQFHSKEWKN-UHFFFAOYSA-N 320.175 4.531 30 20 DJED CCc1cccc(C)c1Nc1nnc(S[C@@H](C#N)CC)s1 1613410283 RQMYOQBMRDWASQ-GFCCVEGCSA-N 318.471 4.547 30 20 DJED Cc1cccc2nc(Oc3cc(Cl)ccc3C#N)sc12 1642431401 MBGKEIGITGWDNB-UHFFFAOYSA-N 300.770 4.922 30 20 DJED COc1ccc(C#N)cc1CN[C@H](CCC(C)C)C(C)(C)C 1645042056 VQDMFAPOKHDMFB-GOSISDBHSA-N 302.462 4.507 30 20 DJED CC(C)c1cccc(CNc2nc(C(F)(F)F)ccc2C#N)c1 1651760118 CKQNONRYOMXTMR-UHFFFAOYSA-N 319.330 4.708 30 20 DJED Cc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1C(=O)O 1776131522 TTZJLPIJMFMGDE-DHZHZOJOSA-N 316.356 4.743 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1ccccc1CC 1776787044 KZGQEINHTSRBQZ-SFHVURJKSA-N 305.462 4.542 30 20 DJED N#Cc1ccc(-c2ccc(OCc3ccc(Cl)nc3)cc2)cc1 31678433 QOVHEMDQSPVLMA-UHFFFAOYSA-N 320.779 4.853 30 20 DJED C=CCn1c(SCC(=O)c2ccc(C)cc2)nc2ccccc21 58698029 OVJCPGDGRYHOKO-UHFFFAOYSA-N 322.433 4.506 30 20 DJED COc1ccc2c(c1)CCC[C@H]2N[C@H](CCC#N)c1ccccc1 90665034 FHNREWQIRGRYGK-NHCUHLMSSA-N 320.436 4.707 30 20 DJED CC[C@@H](NCc1ccc(C#N)cc1F)c1ccc(Cl)cc1 120270189 PYAWKZVPHIJJCQ-QGZVFWFLSA-N 302.780 4.592 30 20 DJED CCC[C@@H](C)CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 155486666 VOICZTIVPFQQGZ-UKRRQHHQSA-N 312.438 4.813 30 20 DJED C[C@@H](C#N)Oc1ccc(/C=C2/C(=O)c3ccccc3C2(C)C)cc1 171541284 TZAVYVWAOPKUME-YQNUULROSA-N 317.388 4.535 30 20 DJED COc1ccc2oc([C@H](C)NCCCC(C)(C)C#N)c(C)c2c1 184321369 DZNYYVMLLFTSKZ-AWEZNQCLSA-N 314.429 4.730 30 20 DJED CC[C@](C)(C#N)C(=O)Nc1cccc(CSC(C)C)c1C 285458895 AFCUXLCVTAYGRU-QGZVFWFLSA-N 304.459 4.515 30 20 DJED C[C@@H](Nc1ccc(F)cc1C#N)c1nc(C(C)(C)C)cs1 301388378 DUSHLJRUZCKHID-SNVBAGLBSA-N 303.406 4.624 30 20 DJED C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1cccc(OC(F)F)c1 302932685 HIRLWGXLDZHGJP-SNVBAGLBSA-N 322.742 4.986 30 20 DJED C=CCC(CC=C)C(=O)Nc1onc(C2CCCCC2)c1C 410878479 XWGQWXCFPYEFCQ-UHFFFAOYSA-N 302.418 4.738 30 20 DJED N#Cc1cc(F)ccc1NC(=O)C1CCC(c2ccccc2)CC1 433969283 IXQMKLZDJIMMAH-UHFFFAOYSA-N 322.383 4.610 30 20 DJED CCOCCC1(CN[C@@H](CC)c2ccc(C#N)cc2)CCCC1 447581590 VKXBDOWZOAZECE-IBGZPJMESA-N 314.473 4.586 30 20 DJED CCc1ccsc1C(=O)Nc1cc(C(C)(C)C)sc1C#N 464409689 WHVQUXVNIOVDDK-UHFFFAOYSA-N 318.467 4.793 30 20 DJED CSc1ccc(F)cc1CNc1cc(Cl)ccc1C#N 467014741 OWLYNTQXFZSKPF-UHFFFAOYSA-N 306.793 4.685 30 20 DJED C=CCC(CC=C)C(=O)N[C@H](CC)c1ccccc1OC(F)F 467819533 QPCUBLCJMMBFSB-OAHLLOKOSA-N 323.383 4.624 30 20 DJED CC(C)[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1 474417372 UNEIIPJUKHPQQM-CTNGQTDRSA-N 320.436 4.587 30 20 DJED C[C@]1(NCc2ccc(Cl)cc2C#N)CCCc2ccccc21 480744536 YKYMVEDCQVYMFZ-IBGZPJMESA-N 310.828 4.553 30 20 DJED CC(C)(C#N)c1ccccc1COc1cccc2cccnc12 486925236 DXKXVFCDGYKNNM-UHFFFAOYSA-N 302.377 4.615 30 20 DJED C=CCC[C@H](C(=O)Nc1cccc(F)c1F)c1ccccc1 488714141 NORXRLSHTNANSB-AWEZNQCLSA-N 301.336 4.653 30 20 DJED C[C@@H](Nc1ncccc1C#N)c1ccccc1Oc1ccccc1 506768928 SODXNDUDHAARQN-OAHLLOKOSA-N 315.376 4.919 30 20 DJED CCC(C)(C)N(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 525911638 CPMSAZJAJDSGFD-UHFFFAOYSA-N 322.408 4.611 30 20 DJED C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)[C@@H]1c1ccccc1 538724068 PWCYVYPGQSIJHE-UTKZUKDTSA-N 320.436 4.562 30 20 DJED C=CCC[C@@H](NCc1cccn1C)c1ccc(C(F)(F)F)cc1 539524886 UBZWMFIAKGFFEU-QGZVFWFLSA-N 322.374 4.841 30 20 DJED C=CCC1(C(=O)N2CCC(c3ccc(F)cc3C)CC2)CCC1 552626684 KZOGMMFNZYZNCH-UHFFFAOYSA-N 315.432 4.587 30 20 DJED N#CCc1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)cc1 554032383 XGNFGBKGSDSNAO-UHFFFAOYSA-N 312.372 4.672 30 20 DJED C=CCCC1(C(=O)Nc2ccc(Oc3cccnc3)cc2)CC1 558305884 CPTSGJIRSMPIAL-UHFFFAOYSA-N 308.381 4.559 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCCC(C)(C)C 572067415 LXFPXEULDJWUNV-UHFFFAOYSA-N 319.493 4.585 30 20 DJED N#CC1(CC(=O)Nc2cc(Cl)ccc2Cl)CCCCC1 598799243 YHQIXOMUPYOLPR-UHFFFAOYSA-N 311.212 4.796 30 20 DJED Cc1cc(C)c(C#N)c(S[C@H](C)c2c(F)cccc2F)n1 603898215 STWRTMRURNUFJS-LLVKDONJSA-N 304.365 4.702 30 20 DJED C[C@@H](SCCOc1cccc(C#N)c1)c1ccc(F)cc1 604062673 FZLRHEOMTGHVQL-CYBMUJFWSA-N 301.386 4.571 30 20 DJED C[C@@H](C(=O)Nc1ccc(C#N)cc1)c1c(Cl)cccc1Cl 604565964 IBGYVKDBFKRINQ-SNVBAGLBSA-N 319.191 4.607 30 20 DJED C=C[C@H](Cc1nc([C@@H]2CCc3ccccc32)no1)c1ccccc1 680747591 QLXXHTIRSQXYFM-DNVCBOLYSA-N 316.404 4.660 30 20 DJED Cc1cccc(C)c1NC(=S)Nc1ccc(C#N)c(Cl)c1 726436038 RTRGVCBKXKCVHA-UHFFFAOYSA-N 315.829 4.637 30 20 DJED COc1cc(/C=C2\CCc3sccc3C2=O)ccc1SC 726894334 YDOGBNCBLDBBCV-FMIVXFBMSA-N 316.447 4.691 30 20 DJED COc1ccc(/C=C/C(=O)c2ccccc2C)c(Cl)c1OC 730433064 AWVHDFALUZNYHX-CSKARUKUSA-N 316.784 4.562 30 20 DJED COCCOc1ccc(/C=C\C(=O)c2cc(C)c(C)cc2C)cc1 730464042 DMBQYMIRIXYETD-YFHOEESVSA-N 324.420 4.533 30 20 DJED C=CCN(Cc1cccs1)C(=S)Nc1cccc(CC)c1 730594354 XBXUVECUYBPUGX-UHFFFAOYSA-N 316.495 4.696 30 20 DJED C#Cc1cccc(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)c1 731164978 VKHKTPSTUQJGQF-SFTDATJTSA-N 311.384 4.563 30 20 DJED C#CCCOc1ccc(CN[C@@](C)(CC)c2ccccc2)cc1 733327701 CEDODJMPEMKJDB-NRFANRHFSA-N 307.437 4.504 30 20 DJED CCN(C(=O)C1CCCCCCC1)[C@@H](C)c1ccc(C#N)cc1 741533472 GZAOBBRTYVFCJO-INIZCTEOSA-N 312.457 4.828 30 20 DJED N#CCc1ccc(NC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1 746176926 ACLHFXWCGLLKHH-UHFFFAOYSA-N 324.383 4.576 30 20 DJED C=C(Cl)CN[C@@H]1CCCc2nc(-c3ccccc3F)sc21 773005603 SGOMNZHUBRUOQJ-CYBMUJFWSA-N 322.836 4.669 30 20 DJED C#CCCCCCC(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 779913480 HSPUXWAWJUHHSA-UHFFFAOYSA-N 322.408 4.705 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccccc2Cl)c(Cl)c1 788361008 RJHHXAHGLQMDSI-VURMDHGXSA-N 302.160 4.761 30 20 DJED C[C@H](ON=Cc1cccc(Cl)c1Cl)c1ccc(C#N)cc1 794713486 HFUBXDKINAPLGM-NSHDSACASA-N 319.191 4.977 30 20 DJED C=CCC(C)(C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 796754879 CUKCEJSACREDDZ-LLVKDONJSA-N 318.829 4.728 30 20 DJED C=CCSc1nn(-c2ccc(Cl)cc2)c(=S)s1 819927565 UKHIKMVGMLMKHI-UHFFFAOYSA-N 300.861 4.595 30 20 DJED CSCc1cnc(/C=C/C(=O)c2cc(C)cc(C)c2)s1 834425437 STOKEOZFTWXLBG-SNAWJCMRSA-N 303.452 4.519 30 20 DJED N#C[C@@H](C(=O)C1CCCCCCC1)c1nc(C2CC2)cs1 842940247 ABEWNUOEJYZLSG-AWEZNQCLSA-N 302.443 4.557 30 20 DJED CC[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(C#N)c1 902874772 IXDCGUOLHPQJOJ-KBXCAEBGSA-N 323.396 4.577 30 20 DJED CCCCCCCC(=O)N[C@H](C)c1ccccc1OC(F)F 914495360 CTEIYSMSWYCFSH-CYBMUJFWSA-N 313.388 4.826 30 20 DJED C#Cc1cccc(NC(=O)N[C@@H](C)c2cccc3ccccc23)c1 915340132 AYKBQFZJNTWBBL-HNNXBMFYSA-N 314.388 4.704 30 20 DJED CC(C)(C)OCc1ccccc1NCc1cc(C#N)cs1 922550089 DBALHCMXPIWVLK-UHFFFAOYSA-N 300.427 4.547 30 20 DJED N#CCOc1ccc(NCc2ccc(-c3ccccc3F)o2)cc1 1116067523 GMHPVMMNYSSIRR-UHFFFAOYSA-N 322.339 4.600 30 20 DJED C#CCCCCCc1nnc([C@H](C)Oc2cccc(Cl)c2)o1 1261576439 QTUUKEKEUBPNAJ-ZDUSSCGKSA-N 318.804 4.599 30 20 DJED CCC(C#N)(CC)C(=O)N(C)c1ccc(-c2ccccc2)cc1 1265570773 PGGOMZIARATEQN-UHFFFAOYSA-N 306.409 4.646 30 20 DJED CN(Cc1ccc(C(C)(C)C)cc1)Cc1ccc(C#N)cc1F 1308656847 PHJDVHBBKKSGPG-UHFFFAOYSA-N 310.416 4.627 30 20 DJED CC(C)OCc1cccc(NC2CC(C#N)(c3ccccc3)C2)c1 1343292273 QVHZJHZNFXWVDW-UHFFFAOYSA-N 320.436 4.647 30 20 DJED CC1(C)C[C@]1(C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 1351131310 ZGVROMJBPDREEU-LJQANCHMSA-N 324.811 4.518 30 20 DJED CC[C@@H](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1354317101 XWJXWBONBHEQAZ-NEPJUHHUSA-N 304.459 4.509 30 20 DJED CC[C@H](CC(C)C)C(=O)Nc1sc2c(c1C#N)CCCC2 1354846212 DXDQNPPZWQCVAX-GFCCVEGCSA-N 304.459 4.509 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2Nc1nc2ccc(F)cc2s1 1458438109 PHPQLTCFSQAVHP-HNNXBMFYSA-N 323.396 4.797 30 20 DJED Cc1ccc(Oc2cccc(Nc3ccc(C#N)nn3)c2)c(C)c1 1472858246 TUULKCXHJNJCAZ-UHFFFAOYSA-N 316.364 4.501 30 20 DJED C[C@H]1CC[C@@H](C(=O)Nc2sc3c(c2C#N)CCCCCC3)C1 1526034141 NGOZRDVXICKVLQ-QWHCGFSZSA-N 316.470 4.653 30 20 DJED CCC(CC)C(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@H]2C 1526732731 VESHKWXQGISFFX-GHMZBOCLSA-N 304.459 4.680 30 20 DJED CCCc1sc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1CC 1528080812 KRECZVWQTUFFAF-GXTWGEPZSA-N 305.443 4.502 30 20 DJED N#C[C@@H]1CCC[C@@H](OC(=O)C2=C(c3ccccc3)CCCC2)C1 1528082420 XZOJRISWHXZJCU-NVXWUHKLSA-N 309.409 4.640 30 20 DJED CCCc1ccc(C(=O)N(C)c2ccc(C#N)c(Cl)c2)s1 1531509327 MOUGMNVHZRDAJS-UHFFFAOYSA-N 318.829 4.502 30 20 DJED CC[C@@H]1CN(Cc2cccc(F)c2C#N)CC[C@@H]1c1ccccc1 1560646917 LGUIVHCGDLCRQA-APWZRJJASA-N 322.427 4.713 30 20 DJED CCN(C[C@@H]1C[C@@H]1c1ccccc1)[C@H](C)c1ccc(C#N)cc1 1560684985 HJHXGHGZYUXPQN-TYCQWZJGSA-N 304.437 4.745 30 20 DJED CC[C@H](CC(=O)N(CCC#N)C(C)(C)CC)c1ccc(C)cc1 1585574707 GRRFIGPQMHROFR-QGZVFWFLSA-N 314.473 4.810 30 20 DJED CC[C@@H](CSc1ccccc1)Nc1cccc(F)c1C#N 1651667007 FACJLOYWUQVQOU-ZDUSSCGKSA-N 300.402 4.680 30 20 DJED CC[C@@H]1CCCC[C@H]1N(C)c1ccc(C#N)c(Br)c1 1655259332 ZQOHEHYKCMFWIX-MLGOLLRUSA-N 321.262 4.726 30 20 DJED N#Cc1ccc(CSc2ccccc2Br)s1 1656151039 CVOHSODFEHBKFL-UHFFFAOYSA-N 310.241 4.675 30 20 DJED C=C(CNC(=O)Nc1cccc2ccsc12)c1ccccc1 1668193613 SGFKOKYYVAYCHD-UHFFFAOYSA-N 308.406 4.736 30 20 DJED O=C(O)c1ccc(NN=Cc2ccc(-c3cccs3)cc2)cc1 1776012077 BGIAXESCBWNRPE-UHFFFAOYSA-N 322.389 4.559 30 20 DJED C=C(C)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 71822395 FMRBAXRSZDJLCT-UHFFFAOYSA-N 321.449 4.526 30 20 DJED C[C@H]1C[C@H]1c1ccc(CNc2cccc(OCCCC#N)c2)o1 119745332 RFYGTUQKBPLKBK-KBXCAEBGSA-N 310.397 4.698 30 20 DJED C[C@H](SCc1ccc(F)cc1C#N)c1ncc(C(C)(C)C)o1 153861609 MBPFAQQRXQKBOH-NSHDSACASA-N 318.417 4.977 30 20 DJED Cc1ccsc1C(=O)Nc1cc(C(C)(C)C)sc1C#N 154281792 GGIJHGMCDQTETA-UHFFFAOYSA-N 304.440 4.540 30 20 DJED CCSc1cc(Cl)ccc1C(=O)Nc1ccc(C#N)cc1 156951858 WOXNZFHHBKCIFH-UHFFFAOYSA-N 316.813 4.576 30 20 DJED CC(C)n1cc(/C=C/C(=O)c2ccc(SC(F)F)cc2)cn1 172215664 OFDCBXFXXPCDHC-FPYGCLRLSA-N 322.380 4.675 30 20 DJED C[C@H](N[C@H](C)c1nc(C(C)(C)C)cs1)c1ccc(C#N)cc1 181719106 WLOHMYLGVORDMY-QWHCGFSZSA-N 313.470 4.724 30 20 DJED O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(O)c(F)c1 220139954 JSWOWDOWOMTFLY-GORDUTHDSA-N 311.139 4.734 30 20 DJED Cc1ccc([C@H]2CCCN2c2nc3c(cc2C#N)CCCC3)s1 301907212 ZQWZLXUJLLEMKO-QGZVFWFLSA-N 323.465 4.544 30 20 DJED CC1(/C(O)=N/[C@H]2CC[C@H](/N=C(/O)C3(C)CCC3)CC2)CCC1 328743998 NTEQJRNASZHTFL-HDJSIYSDSA-N 306.450 4.591 30 20 DJED COc1ccc2c(c1)[C@H](NCC(C)(C)CCC#N)CCCS2 348249802 ZJCXQZSDKHUVLW-MRXNPFEDSA-N 318.486 4.542 30 20 DJED C=CCC1(C(=O)Nc2ccc(CC#N)cc2Cl)CCCCC1 411022770 YPINICQHTHRCND-UHFFFAOYSA-N 316.832 4.871 30 20 DJED C=CCC(C)(C)C(=O)Nc1cccc(-c2csc(C)n2)c1 430889756 PJLBALQYNQKIOF-UHFFFAOYSA-N 300.427 4.659 30 20 DJED C[C@H](c1ccc(Cl)cc1)[S@](=O)CCCCC(C)(C)C#N 435424992 XWQAIEACRBYYTI-ZUOKHONESA-N 311.878 4.870 30 20 DJED CC(C)(C#N)CCCCSCc1ccn(C2CCCC2)n1 435881090 NTWRSPNOLDEJCH-UHFFFAOYSA-N 305.491 4.951 30 20 DJED CC(C)(C#N)CCCCSCc1cc(-c2ccco2)on1 435889137 RKLLFOZSHQGDFY-UHFFFAOYSA-N 304.415 4.888 30 20 DJED C=C[C@H](C)NC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 465172130 FWNCQPMRHHRZCZ-LBPRGKRZSA-N 323.421 4.659 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1ccc(Br)cc1CC 467987453 BJNXDJWGTZXYJX-HNNXBMFYSA-N 310.235 4.552 30 20 DJED Cc1cccc(C(N[C@H]2CC[C@@H](C#N)C2)c2cccc(C)c2)c1 471597780 HGYUOQLEMSHBFC-XLIONFOSSA-N 304.437 4.675 30 20 DJED CC(C)C[C@@H]1CCCCN1C(=O)C[C@@H](CC#N)c1ccccc1 476292787 MYNGZTJVWPKVSH-MOPGFXCFSA-N 312.457 4.501 30 20 DJED C=CCCCC(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 480555286 OGDQNWFUYCRHRO-OAQYLSRUSA-N 319.404 4.995 30 20 DJED C=C(C)CN(CC)C(=O)Nc1cc(Cl)ccc1SCC 519200586 SHSOQTUUAXVFNT-UHFFFAOYSA-N 312.866 4.882 30 20 DJED CC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1F 539608573 RZBHNYKFBYPCRM-VOJFVSQTSA-N 318.342 4.777 30 20 DJED C=CCC(C)(C)c1noc([C@@H](C)Sc2ccc(OC)cc2)n1 551497866 HNWJJIHIFAJMNA-GFCCVEGCSA-N 318.442 4.785 30 20 DJED CCc1cccc(N(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 574463061 OZDLQOVRTJJTTG-UHFFFAOYSA-N 321.424 4.718 30 20 DJED C=CCCC(=O)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 588031056 KHFNSEAMFUZBIZ-AWEZNQCLSA-N 313.372 4.761 30 20 DJED CN(C(=O)CCCCCC#N)c1ccc(-c2ccccc2)cc1 588934125 MFJGEESXBJVNDS-UHFFFAOYSA-N 306.409 4.790 30 20 DJED Cc1cc(C)c([C@H](C)Sc2nc(C)nc(C)c2C#N)c(C)c1 604441197 YMSXLSCIRLHYED-AWEZNQCLSA-N 311.454 4.744 30 20 DJED C=CCOc1cccc(CNc2ccccc2OCC2CC2)c1 607168535 APPCKQKKLKKPAW-UHFFFAOYSA-N 309.409 4.652 30 20 DJED CCCC1CCC(NCc2cccc(OCCCC#N)c2)CC1 608861009 IBTSBDKYCPTCQM-UHFFFAOYSA-N 314.473 4.818 30 20 DJED C[C@@H](NC(=O)Nc1cccc2ccsc12)c1cccc(C#N)c1 611052022 KDOSUALCWWJWEE-GFCCVEGCSA-N 321.405 4.656 30 20 DJED Cc1cccc2c1[C@H](C)C[C@@H]2NCc1ccc(C#N)c(Cl)c1 619754993 QFBTZQCTNQSWRY-ACJLOTCBSA-N 310.828 4.858 30 20 DJED C[C@@H]1C[C@@H](CC(=O)[C@H](C#N)c2nc3ccccc3o2)CC(C)(C)C1 727629486 YQMQASSPHCNWTE-ILXRZTDVSA-N 324.424 4.857 30 20 DJED COc1cc(C(=O)/C=C\c2cccc(C)c2C)ccc1SC 731158492 BFMUVQJWZCKQBO-NTMALXAHSA-N 312.434 4.930 30 20 DJED CCCCCC[C@@H](CC)C(=O)N[C@H](C)c1cccc(C#N)c1 743776903 KEBOTMWJLTUEPG-NVXWUHKLSA-N 300.446 4.732 30 20 DJED CC(=NNc1ccccn1)[C@@H](C)Oc1ccc(Cl)cc1Cl 749857049 AZTCKEYGMGKNMB-LLVKDONJSA-N 324.211 4.644 30 20 DJED C[C@H](N[C@H](C)c1cc2c(cc1O)CCCC2)c1cccc(C#N)c1 756625326 JKHBATLYMWHYOF-LSDHHAIUSA-N 320.436 4.554 30 20 DJED CCOc1cccc(C(=O)/C=C/c2cnc(C(C)C)s2)c1 758428668 FRQUUPBVVLFDLF-CMDGGOBGSA-N 301.411 4.561 30 20 DJED CCCCCCCC[C@@H](C)CC(=O)NC1(C#N)CCSCC1 775492576 QJXCCPORTCPAQT-MRXNPFEDSA-N 324.534 4.669 30 20 DJED C=C[C@](C)(CCOC)C(=O)Nc1ccc(SC(C)(C)C)cc1 782416801 VVOVGKSLBIXFAK-GOSISDBHSA-N 321.486 4.745 30 20 DJED Cc1cc(C=NNc2cccc3cnccc23)cc2cccnc12 783846019 KKFJWQQNTNVWNX-UHFFFAOYSA-N 312.376 4.537 30 20 DJED COc1cc(C)ccc1C(=O)/C=C/c1ccccc1OC(F)F 797279539 WEWYFWWQSWXOQW-CSKARUKUSA-N 318.319 4.501 30 20 DJED Cc1nn(C(C)C)cc1/C=C/C(=O)c1cc2c(s1)CCCC2 798370637 SUPHOZJSIRQLJA-CMDGGOBGSA-N 314.454 4.609 30 20 DJED Cc1ccc(-c2cccc(/C=C/C(=O)c3ccnc(O)c3)c2)cc1 806556738 YYEORVJHNXWILX-JXMROGBWSA-N 315.372 4.659 30 20 DJED CC(CCCCCCC(=O)O)=NNc1ccc(Cl)c(F)c1 814862529 NNEIIEXEKHQVMA-UHFFFAOYSA-N 314.788 4.692 30 20 DJED CC(C)[C@@H](C#N)c1ccc(-c2cnn([C@@H]3CCCCO3)c2)cc1 854209141 FIAVZSWVMCGAGW-MOPGFXCFSA-N 309.413 4.512 30 20 DJED C[C@@H](Nc1ccc(OC(F)(F)F)c(C#N)c1)c1ccccc1F 864012062 OYGDYABILYCRIX-SNVBAGLBSA-N 324.277 4.769 30 20 DJED Cc1cc(Cl)ccc1NC(=O)c1ccccc1SCC#N 877378405 IVUZJAZWSWRTOB-UHFFFAOYSA-N 316.813 4.516 30 20 DJED C=CCC(CC=C)c1nc(-c2ccc(N3CCCCC3)cc2)no1 904615280 QAMFWSABVFAQBF-UHFFFAOYSA-N 323.440 4.963 30 20 DJED CSc1ccsc1C(=O)Nc1cc2ccccc2cc1C#N 1129674875 NBHWGFPXHKEUEK-UHFFFAOYSA-N 324.430 4.747 30 20 DJED CCCC[C@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1264129369 OZMXYLHYOWTXPT-NEPJUHHUSA-N 304.459 4.509 30 20 DJED Cc1ccc(C(=O)Nc2cc(C#N)c(F)cc2F)c2ccccc12 1288003732 VFFOURHEBYNKSE-UHFFFAOYSA-N 322.314 4.550 30 20 DJED CC[C@H]1CCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)[C@@H]1C 1310783648 OXXDLEXVHIQABP-NEPJUHHUSA-N 319.474 4.570 30 20 DJED CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc(-c2cccs2)s1 1323987785 BBSRHWHORZENRV-MRXNPFEDSA-N 318.467 4.535 30 20 DJED N#C[C@H]1CC[C@H](OC(=O)c2sc3cc(F)ccc3c2Cl)C1 1342575308 ODKPJQXQRJORGR-WPRPVWTQSA-N 323.776 4.543 30 20 DJED C[C@H](OC(=O)c1cccc(Cl)c1Cl)c1ccc(C#N)cc1 1435362931 JPAJTXRESBMGNH-JTQLQIEISA-N 320.175 4.783 30 20 DJED CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)N(C1CC1)[C@@H](C)C#N 1437467635 RBGKOSDHKOGWBO-RDFYBTABSA-N 316.489 4.522 30 20 DJED Cc1ccc2ncc(C#N)c(OCc3ccc(C)c(C)c3)c2c1 1459101893 ZKIFLXJOIMRGFJ-UHFFFAOYSA-N 302.377 4.611 30 20 DJED Cc1ccc([C@H]2CCC[C@@H]2N(C)Cc2ccc(F)c(C#N)c2)cc1 1459555597 BYPQQGKAUIUWGL-CTNGQTDRSA-N 322.427 4.774 30 20 DJED CCc1ccc(C2CCN(Cc3cccc(C#N)c3F)CC2)cc1 1460580137 TXTXGQTXHCOAQB-UHFFFAOYSA-N 322.427 4.639 30 20 DJED CC(C)Cc1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)s1 1525218393 FWGLLQPAAJGECZ-UHFFFAOYSA-N 318.829 4.724 30 20 DJED C[C@H](CC(=O)O[C@H]1CCC[C@H](C#N)C1)Cc1ccc(Cl)cc1 1535479632 VLNQAPOLJJAUJS-QRTARXTBSA-N 319.832 4.534 30 20 DJED N#Cc1c(F)cccc1Nc1ccc2nc(C3CC3)sc2c1 1559083568 MEBQCHXBBQCHEW-UHFFFAOYSA-N 309.369 4.928 30 20 DJED CC(C)c1cnc(S[C@@H](C#N)C2CCCCC2)n1C1CC1 1559374693 MBCGXVNDCIDATA-INIZCTEOSA-N 303.475 4.906 30 20 DJED N#CC1(CN[C@H]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CCC1 1560890888 TWFZCFKDMLWCNP-BBRMVZONSA-N 323.267 4.913 30 20 DJED CCNc1ccc(C#N)cc1NC(=O)CCC1CCCCCC1 1566403258 SFUSCKDTLSXXBK-UHFFFAOYSA-N 313.445 4.679 30 20 DJED CN(CCC(C)(C)C)C(=O)c1ccccc1-c1ccccc1C#N 1611092046 NEWGRGUYBJPBRE-UHFFFAOYSA-N 320.436 4.733 30 20 DJED Cc1nsc(Nc2ccc(NCC3CCCC3)cc2)c1C#N 1611915131 URURTEAXRHOELK-UHFFFAOYSA-N 312.442 4.669 30 20 DJED CCCCN1CCc2ccc(Nc3cccc(F)c3C#N)cc21 1639642562 ACHABJVMXCQQOE-UHFFFAOYSA-N 309.388 4.604 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccccc1Cl 1641621679 LZQOIFPTVDEJGH-UHFFFAOYSA-N 312.844 4.870 30 20 DJED C[C@H](Sc1ccnc(C#N)n1)c1ccc(Cl)c(Cl)c1 1651562263 LMULICUYESUIJS-QMMMGPOBSA-N 310.209 4.508 30 20 DJED Cc1nc(N[C@H](C)Cc2c(Cl)cccc2Cl)ccc1C#N 1651699851 WXUSHBHNONBPJT-SNVBAGLBSA-N 320.223 4.612 30 20 DJED CC(C)c1cccc2c1N(CCc1ccc(C#N)cc1)CCC2 1654749043 YYHLGWFQKQNDRL-UHFFFAOYSA-N 304.437 4.677 30 20 DJED Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2cccc(F)c2C#N)o1 1663653172 MDDWZLQWUXTLCH-UGSOOPFHSA-N 312.388 4.572 30 20 DJED O=C(O)c1ccccc1NN=C1CCCC[C@H](c2ccccc2)C1 1776030358 QLSLCIOHYVIRSO-INIZCTEOSA-N 322.408 4.901 30 20 DJED CC(C)(C)c1ccc(C(=O)/C=C\c2ccc(C(=O)O)s2)cc1 1776120125 WKVXANYTVSYATH-NTMALXAHSA-N 314.406 4.640 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC 7714230 IACHKMPECXGVMM-VZUCSPMQSA-N 310.393 4.723 30 20 DJED N#Cc1ccc(NCc2ccccc2Br)cc1Cl 37393179 NJJBOXVZGVSHKF-UHFFFAOYSA-N 321.605 4.586 30 20 DJED Cc1cccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c1F 91208707 HHQFHGRAJNIHDZ-UHFFFAOYSA-N 316.401 4.617 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2ccc(Cl)cc2C)cc1 153221401 IAYYCNYEDDJOAY-UHFFFAOYSA-N 312.800 4.517 30 20 DJED C=CCCCCCN(C)C(=O)Nc1cccc(COC(C)C)c1 158681364 WILHNDIAMRAIGX-UHFFFAOYSA-N 318.461 4.822 30 20 DJED C=CCCCC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 175393132 QVEWVPUVBFRERK-UHFFFAOYSA-N 314.429 4.500 30 20 DJED N#Cc1ccc(NCc2cccc(Cl)c2)cc1Br 228185714 QFZMUQNURNBINM-UHFFFAOYSA-N 321.605 4.586 30 20 DJED Cc1cc([C@H](C)Nc2cccc(OCCCC#N)c2)cs1 294278766 SNLZGMZBBILWGD-AWEZNQCLSA-N 300.427 4.912 30 20 DJED CC[C@H](C)[C@@H](C(=O)Nc1cc(C#N)ccc1C)c1ccccc1 320292439 QVUUTMPHUWKAQT-IFXJQAMLSA-N 306.409 4.635 30 20 DJED OC(=Nc1ccc2c(c1)oc1ccccc12)[C@H]1C[C@]12CCOC2 329603278 LIGATIQMRONWIX-BEFAXECRSA-N 307.349 4.601 30 20 DJED CC(O)=Nc1ccc(C(=O)N[C@H]2CCCCC23CCCC3)cc1 329736453 LLZOBHSBPSMXMW-KRWDZBQOSA-N 314.429 4.527 30 20 DJED N#CCCSc1ccccc1NC(=O)c1ccccc1Cl 341809490 RAKHUZXJHRAKBY-UHFFFAOYSA-N 316.813 4.598 30 20 DJED CC[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1cc(F)ccc1F 353274085 OEAXPGIJTFMPSU-MOPGFXCFSA-N 312.363 4.565 30 20 DJED CSc1ccccc1[C@@H](C)Nc1ncc(C#N)cc1Cl 409650419 GMXFOICPUAKKTI-SNVBAGLBSA-N 303.818 4.502 30 20 DJED C=CCC(C)(C)C(=O)Nc1ccccc1COC(C)(C)CC 410703648 QQDJVLHKTAORKG-UHFFFAOYSA-N 303.446 4.933 30 20 DJED C[C@H](SCCOc1ccccc1F)c1cccc(C#N)c1 442743320 ZGQKJSVIZGGVSK-ZDUSSCGKSA-N 301.386 4.571 30 20 DJED CC[C@H](NC[C@H]1CCCC[C@H]1C(F)(F)F)c1ccc(C#N)cc1 447587157 PAWKNZFUXODKKX-ZACQAIPSSA-N 324.390 4.968 30 20 DJED Cc1c(NC(=O)[C@@H](C)c2cccc(C#N)c2)sc2c1CCCC2 462148321 BOSHNMNTHIYDGY-LBPRGKRZSA-N 324.449 4.549 30 20 DJED CC(C)c1ccc([C@@H](C)CC(=O)N[C@](C)(C#N)C(C)(C)C)cc1 464158798 PUFNBRNPUCKLJT-MGPUTAFESA-N 314.473 4.748 30 20 DJED CC(C)(C#N)CCCN(CCc1ccc(Cl)cc1)CC1CC1 472247403 DSYPICPEZFWNFT-UHFFFAOYSA-N 318.892 4.924 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccnn1[C@@H](C)CC(C)C 481467870 VRCJVTSXAROVBI-INIZCTEOSA-N 320.481 4.700 30 20 DJED CCN(C(=O)c1ccc(F)c2ccccc12)c1ccc(C#N)cc1 483643439 XVBBGCUDOALGJS-UHFFFAOYSA-N 318.351 4.517 30 20 DJED N#CCn1c(/C=C/C=C\c2ccc(F)cc2F)nc2ccccc21 485984532 NYOMOOPBSOSBHB-QRYPCPAXSA-N 321.330 4.565 30 20 DJED Cc1cc(CN[C@@H](C)c2ccc(OC(C)C)cc2)ccc1C#N 488110590 NBSSGTIKQXQVLZ-INIZCTEOSA-N 308.425 4.505 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1cnc2ccccc2c1 500996320 COMXYFQKMDHQKA-UHFFFAOYSA-N 317.392 4.506 30 20 DJED CCN(C(=O)C[C@@H]1CCC[C@H](C)C1)[C@@H](C)c1ccc(C#N)cc1 504075470 YTLOHWZMVORTJR-XYJFISCASA-N 312.457 4.684 30 20 DJED COc1ccccc1[C@H]1CC[C@H](C)CN1CCCC(C)(C)C#N 510258550 ZQNDRJAHKIUZQO-FUHWJXTLSA-N 314.473 4.798 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1cccc(Cl)c1C 515107593 HYLBVPYPLNYGBE-UHFFFAOYSA-N 314.816 4.869 30 20 DJED C=C(C)CN(CC)C(=O)CS[C@@H](C)c1ccccc1Cl 516147288 YLURKGBJCGBSTE-ZDUSSCGKSA-N 311.878 4.559 30 20 DJED C=CC1CCN(C(=O)C2(Sc3ccccc3)CCCC2)CC1 521955702 VJBMQPAQDFGAMB-UHFFFAOYSA-N 315.482 4.516 30 20 DJED CCCN(CCC)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 523122777 VXYFQEFPFSQRJJ-UHFFFAOYSA-N 321.424 4.564 30 20 DJED C=CCCC[C@H](C)NC(=O)N(CC)[C@H](C)c1ccc(F)cc1 538368334 BTAFCOLHFQOIQW-LSDHHAIUSA-N 306.425 4.663 30 20 DJED Cc1c(C#N)cccc1NCc1csc(-c2ccccc2F)n1 538535512 RCNDISIGMACJOH-UHFFFAOYSA-N 323.396 4.741 30 20 DJED CC[C@@H](CC(F)(F)F)Nc1cc(C#N)ccc1C(F)(F)F 542102034 FEBBHVIFIVIBKG-VIFPVBQESA-N 310.241 4.720 30 20 DJED C=C(C)[C@@H](NC(=O)C1=CCCCCC1)c1ccc(F)c(F)c1 547845482 HTXXXAOSCOTDGB-QGZVFWFLSA-N 305.368 4.589 30 20 DJED CCN(Cc1ccc(C(C)C)nc1C)[C@@H](C)c1ccc(C#N)cc1 569507085 GGARDRLFIJXNTH-KRWDZBQOSA-N 321.468 4.968 30 20 DJED C[C@@H](N[C@H](C)c1nccc2ccccc12)c1cccc(C#N)c1 589340556 JMYVGMZJHGMLQX-HUUCEWRRSA-N 301.393 4.518 30 20 DJED Cc1cc(C)c([C@@H](C)Sc2nc(C)nc(C)c2C#N)c(C)c1 604441198 YMSXLSCIRLHYED-CQSZACIVSA-N 311.454 4.744 30 20 DJED CCCCN(CC)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 609986090 VZSUDCCMCNXFHU-UHFFFAOYSA-N 321.424 4.564 30 20 DJED CC(C)(C#N)CCCN1CCC[C@H](c2cc3ccccc3[nH]2)C1 610447435 JYZUXVHCJNGLDY-KRWDZBQOSA-N 309.457 4.677 30 20 DJED C=C[C@H](CC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C)c1ccccc1 677562608 GFJBEXHPBSBHRX-UEXGIBASSA-N 319.448 4.751 30 20 DJED N#Cc1ccc(NC(=O)/C=C/c2ccc(Cl)s2)c(Cl)c1 701278315 DJKMBIRLKQVCOT-ZZXKWVIFSA-N 323.204 4.578 30 20 DJED Fc1ccc(NN=Cc2ccc(OC(F)F)c(Cl)c2)cc1 731486338 USXHWIUYJSEAPF-UHFFFAOYSA-N 314.694 4.527 30 20 DJED CC(C)c1ccc2c(Cl)c(C(=O)N[C@@H](C)CC#N)sc2c1 732656062 RCDRURHEASQBCL-JTQLQIEISA-N 320.845 4.710 30 20 DJED CCCCCCCCCN(C)C(=O)c1cnc(C)nc1C(C)C 734101656 AMZRUJCSRYGGNT-UHFFFAOYSA-N 319.493 4.731 30 20 DJED Fc1cc(F)c(NN=Cc2ccccc2C(F)(F)F)cc1F 734301774 OVFJRQZDCMYBIU-UHFFFAOYSA-N 318.220 4.569 30 20 DJED O=C(/C=C\c1cccc(Oc2ccccc2)c1)c1cncs1 735792992 PPQDHOWDXJZHSQ-KTKRTIGZSA-N 307.374 4.832 30 20 DJED CC(=NNc1nccc2sccc12)c1coc2ccccc12 747752816 FEXCMMSRSVDMTP-UHFFFAOYSA-N 307.378 4.879 30 20 DJED CC(C)(C#N)CCCSc1nnc(-c2ccccc2)s1 747808255 FMHSTVGXSDHHRB-UHFFFAOYSA-N 303.456 4.627 30 20 DJED CC[C@@H](C#N)OC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F 753429913 IGEHDOXNYSXYQI-AWEZNQCLSA-N 317.747 4.605 30 20 DJED O=C(/C=C/c1ccc(O)c(F)c1)c1ccc(-c2ccccc2)o1 755600081 XKSKZIJBUKHCTB-VQHVLOKHSA-N 308.308 4.687 30 20 DJED O=C(/C=C\c1ccc(C(F)(F)F)s1)c1cccc(F)c1 761475245 OERNYBAEHKQBRW-XQRVVYSFSA-N 300.276 4.802 30 20 DJED CCCCCCCCNC(=O)CCc1cncc2ccccc12 765088747 MABUAARVWBMIDU-UHFFFAOYSA-N 312.457 4.644 30 20 DJED C#CC[C@@H](N[C@@H](C)c1cccc(OC(F)F)c1)c1ccccc1 773113248 CTXYWGDFTIAALY-KBXCAEBGSA-N 315.363 4.703 30 20 DJED CCC[C@@H]1CCCC[C@H]1N[C@H](C)c1ccc(OCC#N)cc1 776155377 FEKOJPYUELNZTJ-SZVBFZGTSA-N 300.446 4.598 30 20 DJED C[C@@H](Nc1ccc(OCC(F)F)cc1)c1ccc(C#N)c(F)c1 777132404 AQKTUXDRPPCVPR-LLVKDONJSA-N 320.314 4.514 30 20 DJED O=C1/C(=C/c2ccc3cnccc3c2)Oc2ccc(Cl)cc21 782324635 GAWZVBSYOYQXCL-IUXPMGMMSA-N 307.736 4.504 30 20 DJED Cc1cc(/C=C2/Cc3c(F)cc(F)cc3C2=O)cc2cccnc12 783709194 LLQCTRFOOZFORX-AUWJEWJLSA-N 321.326 4.644 30 20 DJED CCC(CC)(C(=O)OCCCC(C)(C)C#N)c1ccccc1 783946598 ACOLIXBHXNRXMA-UHFFFAOYSA-N 301.430 4.618 30 20 DJED COc1c(C)cc(C(=O)/C=C\c2cccnc2Cl)cc1Cl 794724891 SXAGWRCXSUZFCX-WAYWQWQTSA-N 322.191 4.602 30 20 DJED COc1ccc(/C=C2\CSc3c(F)cccc3C2=O)cc1C 810237831 KNOCJOKEBJCHEX-UKTHLTGXSA-N 314.381 4.515 30 20 DJED CC(=NNc1ccccc1F)c1nc(-c2ccccc2)cs1 814791797 IJJVJJZSZKVZJG-UHFFFAOYSA-N 311.385 4.785 30 20 DJED Cn1c(Cl)nc(Cl)c1/C=C\C(=O)c1cccc(C2CC2)c1 834444555 HHGPXEPUHASGFD-FPLPWBNLSA-N 321.207 4.500 30 20 DJED Cc1ccsc1/C=C\C(=O)c1ccc(Br)s1 916134251 JQCHOZALRZZZLM-IHWYPQMZSA-N 313.241 4.777 30 20 DJED CCC(=NNc1ncnc2sc(C)c(C)c12)c1cccs1 916307399 DSHQEFOCPAOYJI-UHFFFAOYSA-N 316.455 4.596 30 20 DJED N#Cc1cccc2c1CCN2CC1CCC(c2ccccc2)CC1 1171343557 JTWJMBBYUIWOPB-UHFFFAOYSA-N 316.448 4.895 30 20 DJED N#Cc1ccc(CNCc2ccc(C3CCCCC3)cc2)cc1 1202536338 KNKPAAXWARDQFS-UHFFFAOYSA-N 304.437 4.896 30 20 DJED C[C@@H](CC#N)NCc1ccccc1Oc1ccc(F)c(Cl)c1 1203522043 MRBBPGGANGAVLX-LBPRGKRZSA-N 318.779 4.663 30 20 DJED CCCc1ccc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)s1 1204360737 WPJAQKCFXFMXDO-PMACEKPBSA-N 324.493 4.972 30 20 DJED N#Cc1cccc(Oc2ccnc(Oc3ccc(Cl)cc3)n2)c1 1306915912 RLXOMWZWHNTAPB-UHFFFAOYSA-N 323.739 4.586 30 20 DJED COc1ccc([C@@H](C)SCc2cccc(C#N)c2F)cc1 1307296066 ZROJVMXMMFVXEC-GFCCVEGCSA-N 301.386 4.700 30 20 DJED CCCN(C/C=C\c1ccc(F)cc1)Cc1ccc(C#N)cc1 1308624001 TXJXVLWBMJVMHL-ARJAWSKDSA-N 308.400 4.623 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCC[C@H](C(C)C)CC1 1310382437 ROEPREKEYGLAQL-IRXDYDNUSA-N 313.445 4.593 30 20 DJED Cc1cc2cc(-c3nnc(-c4ccc(C#N)cc4)o3)oc2cc1C 1322891037 AUGICNVDNUTMNH-UHFFFAOYSA-N 315.332 4.638 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1ccccc1CC(C)(C)C 1361270630 YEQSIGGMCDZVGG-UHFFFAOYSA-N 306.409 4.708 30 20 DJED CC(C)Cc1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)s1 1435363131 KKBGFYYNNWXWLW-ZDUSSCGKSA-N 313.422 4.736 30 20 DJED N#Cc1ccccc1Sc1ccc(NC(=O)CC2CCC2)cc1 1460089156 PTRDEEUTJLQIRY-UHFFFAOYSA-N 322.433 4.838 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1cccc(F)c1Cl 1460274249 BUOQATIZQXMHOO-GFCCVEGCSA-N 302.780 4.544 30 20 DJED CCc1cccc2c(C3CCN(C[C@@H](C)CCC#N)CC3)c[nH]c12 1461934922 LXAAJWOKXPEQDC-INIZCTEOSA-N 323.484 4.850 30 20 DJED C[C@H](c1ccccc1Cl)N(Cc1ccc(C#N)s1)C1CC1 1473148680 GSTCJDDTCPCYIR-GFCCVEGCSA-N 316.857 4.999 30 20 DJED N#Cc1ccc(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)c(Cl)c1 1517074425 ZUGNMSNUADAHQP-SHTZXODSSA-N 316.832 4.757 30 20 DJED CC(C)[C@H]1CCc2c(sc(NC(=O)CC(C)(C)C)c2C#N)C1 1523679642 XJICAYPWJBEOEQ-LBPRGKRZSA-N 318.486 4.755 30 20 DJED Cc1ccc(C(=O)N(Cc2ccccc2)CC(C)(C)C)cc1C#N 1530568535 VRPZCZJSGNXOLU-UHFFFAOYSA-N 320.436 4.555 30 20 DJED C[C@H]1C[C@H](C(=O)N(c2cccc(C#N)c2)C2CCC2)CC[C@H]1C 1532439904 PXMIWFPOCGBDFE-HLLBOEOZSA-N 310.441 4.516 30 20 DJED Cc1ccccc1C1(C(=O)O[C@H](C)c2ccc(C#N)cc2)CCC1 1533618641 FOPYSSVXDSTURU-MRXNPFEDSA-N 319.404 4.593 30 20 DJED CC1(C)CCCN(C(=O)CC2(C#N)CCCCC2)c2ccccc21 1537475918 CWIMUAVPENHEPR-UHFFFAOYSA-N 324.468 4.955 30 20 DJED N#C[C@@H]1CCC[C@H](NCc2cccc(Oc3ccccc3F)c2)C1 1560914396 JALVXDNDBWTOIA-WBVHZDCISA-N 324.399 4.790 30 20 DJED CC[C@@H](C#N)C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 1587877996 OCWYILGZSLIZKK-ZDUSSCGKSA-N 304.349 4.588 30 20 DJED Cc1ccc(Br)cc1CSc1cccc(C#N)c1 1613584063 HGFWLHDTISWDJL-UHFFFAOYSA-N 318.239 4.922 30 20 DJED CO[C@H]1CCC[C@H](Sc2ccc(C#N)c(C(F)(F)F)c2)C1 1613667453 IWQVGGSCKWNHAB-RYUDHWBXSA-N 315.360 4.627 30 20 DJED Cc1cc(C#N)cc(NC(=O)N[C@@H](CC(C)C)c2ccccc2)c1 1625598696 OVYHBYVWKXVJIO-IBGZPJMESA-N 321.424 4.776 30 20 DJED CC(C)(C)Oc1ccc(NC(=O)C2=CCCCCC2)cc1C#N 1636101196 URLDKJBSNXIXEU-UHFFFAOYSA-N 312.413 4.565 30 20 DJED N#C[C@@H](c1ccccc1)N1CC=C(c2c[nH]c3ccccc23)CC1 1644650698 JSHDCDBQRXAVTC-NRFANRHFSA-N 313.404 4.522 30 20 DJED N#Cc1cccc(CN2Cc3ccccc3-c3ccccc32)c1F 1646508956 UNJLFCAUCMBIHA-UHFFFAOYSA-N 314.363 4.885 30 20 DJED Cc1nc(N2CCCC[C@H]2CCCc2ccccc2)ccc1C#N 1650896473 WNBYHLJZTMBYKG-FQEVSTJZSA-N 319.452 4.644 30 20 DJED N#Cc1cc(F)ccc1CN1CC2(CCCC2)c2ccccc21 1653657763 ZGZLKSSYYJPIFA-UHFFFAOYSA-N 306.384 4.529 30 20 DJED CCCC[C@@H](CC)CCCN(C)c1c(C#N)nnc2ccccc12 1655687314 DLQZNQSZMWGPDQ-MRXNPFEDSA-N 324.472 4.934 30 20 DJED COc1cccc([C@@H](C)SCc2ccc(F)cc2C#N)c1 1656369175 HPTUBVBHNMXDPV-GFCCVEGCSA-N 301.386 4.700 30 20 DJED Cc1cc(C#N)cc(NCc2ccccc2OC2CCCC2)c1 1656435765 IYMVNZSEUVJTEH-UHFFFAOYSA-N 306.409 4.800 30 20 DJED CCCOc1cccc(CN(CC)[C@@H](C)c2ccc(C#N)cc2)c1 1657041510 CAPKZNAOVUBCHX-KRWDZBQOSA-N 322.452 4.930 30 20 DJED CCCCCC[C@@H]1CCCC1=NNc1ccc(CC(=O)O)cc1 1776084416 NQULWZKAUXBCKW-MRXNPFEDSA-N 316.445 4.852 30 20 DJED O=C(/C=C\c1ccc(F)cc1)c1ccc(N2CCCCC2)cc1 107214596 ZJTSNUUIZWEZDE-MLPAPPSSSA-N 309.384 4.712 30 20 DJED C/C(=C/C(=O)Nc1ccccc1SCCC#N)c1ccccc1 108199173 QKZXKYGXFJGWJF-PFONDFGASA-N 322.433 4.734 30 20 DJED N#Cc1ccc(CN[C@H](c2ccccc2F)C2CCCC2)s1 154232803 JJOQSNGJKJLLPP-SFHVURJKSA-N 314.429 4.780 30 20 DJED C[C@@H](N[C@H]1CCSc2ccccc21)c1ccc(C#N)c(F)c1 271938494 NXTFMLIYHIORED-PXAZEXFGSA-N 312.413 4.585 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1ccccc1CCC(F)(F)F 281323296 JIICXYMGRHJLRJ-ZDUSSCGKSA-N 314.351 4.658 30 20 DJED CC(C)c1ccc(-c2nnc(S[C@H](C)CCC#N)o2)cc1 298530710 XDQJCOUPBRCBBT-GFCCVEGCSA-N 301.415 4.644 30 20 DJED C[C@H](NCc1cscn1)c1ccc(-c2cccc(C#N)c2)cc1 374690596 AKVGQZLVUBUGEJ-AWEZNQCLSA-N 319.433 4.533 30 20 DJED C[C@@H](NCC(C)(C)CC#N)c1csc(-c2ccccc2F)n1 414173677 XBWNBCPOOLTMGP-GFCCVEGCSA-N 317.433 4.540 30 20 DJED C=CCCCCCN(C)C(=O)Nc1nc(C2CCC2)cs1 442029018 KLBBMCSGJTYNRB-UHFFFAOYSA-N 307.463 4.621 30 20 DJED C=C(C)Cn1c(C)nnc1N1CCC[C@H]1c1ccc(C(C)C)cc1 460559044 LKFPXXOMSCZRQZ-IBGZPJMESA-N 324.472 4.628 30 20 DJED CC1(C)CCC(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 466006828 QEAZDEOHCIOELC-UHFFFAOYSA-N 313.445 4.578 30 20 DJED C=C(C)CN1CCC(N[C@H](CCCC)c2ccccc2)CC1 467849314 GQZHEEGCDMAXPD-HXUWFJFHSA-N 300.490 4.548 30 20 DJED Cc1ccc2sc(C(=O)Nc3cc(C#N)ccc3C)c(C)c2c1 469528046 YJGRYIQIEUUOQX-UHFFFAOYSA-N 320.417 4.951 30 20 DJED CCSc1ccc(Cl)cc1NC(=O)c1ccc(C#N)s1 487274880 HDXHIQPRJAYJJD-UHFFFAOYSA-N 322.842 4.637 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N(CC#N)c1ccccc1 489918506 OADPGHPPIUKEEP-DLBZAZTESA-N 318.420 4.533 30 20 DJED C[C@H](SCCOc1cccc(C#N)c1)c1ccccc1F 507880630 OLPZPQQRGRSRMY-ZDUSSCGKSA-N 301.386 4.571 30 20 DJED Cc1c(C#N)cccc1C(=O)N[C@@H](C)c1cc2ccccc2s1 509531671 FLQNPMYFOBNRCL-ZDUSSCGKSA-N 320.417 4.572 30 20 DJED CC1(CC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCCCC1 510466438 WZAATZBBOSQSEB-RBUKOAKNSA-N 324.468 4.645 30 20 DJED CSc1ccccc1CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 511116057 PQHWNUSFUVRNSJ-RBUKOAKNSA-N 322.477 4.680 30 20 DJED C=CCC[C@@H](NCc1cccc(Br)c1)c1ccco1 513701847 APKCCIBEDZVGSG-OAHLLOKOSA-N 320.230 4.839 30 20 DJED Cc1csc(-c2cccc(OCc3cccc(C#N)c3)c2)n1 539939663 WDWBPYUPZWQAQO-UHFFFAOYSA-N 306.390 4.569 30 20 DJED C=CCNc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 540736988 GJQMILUDBFZFCA-UHFFFAOYSA-N 312.266 4.630 30 20 DJED CC(C)c1ccc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)s1 545475923 TXWFTOGXTABKSB-UHFFFAOYSA-N 324.449 4.548 30 20 DJED C=CCC(CC=C)c1nc(-c2ccc(CN3CCCC3)cc2)no1 546944418 FMZPRRILGPCBKT-UHFFFAOYSA-N 323.440 4.568 30 20 DJED N#C[C@@H]1CC[C@@H](N2CCC(c3cccc4ccccc34)CC2)C1 555334597 YHNILAAOLCDHTJ-VQIMIIECSA-N 304.437 4.711 30 20 DJED C=C[C@H](CC(=O)N1CCC[C@@H](c2ccccc2)C1)c1ccccc1 569521004 YVAPMPQBYJINAR-WIYYLYMNSA-N 319.448 4.753 30 20 DJED CSc1ccc2c(c1)[C@@H](NCc1ccc(C#N)s1)CCC2 571326875 MKOMDDMQTZEBPR-KRWDZBQOSA-N 314.479 4.509 30 20 DJED CCC1(c2ccc(Cl)cc2)CCN([C@H]2CC[C@H](C#N)C2)CC1 572010000 QPSWTRXBMJHRGF-YJBOKZPZSA-N 316.876 4.776 30 20 DJED N#CCCCCCC(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 590888958 QIQGVFRTLOOHJY-NVXWUHKLSA-N 318.848 4.566 30 20 DJED N#CC1(Cc2nc([C@@H]3CCCc4ccccc43)no2)CCCCC1 594734146 QOHDMSTUTSADOZ-QGZVFWFLSA-N 321.424 4.554 30 20 DJED N#CCC1(CSCc2coc(-c3c(F)cccc3F)n2)CC1 596350452 OUOIIDCHHKELSI-UHFFFAOYSA-N 320.364 4.547 30 20 DJED Cc1ccc(C)c(NC(=S)Nc2ccc(C#N)c(Cl)c2)c1 726434103 GKOSHCQRRGRELJ-UHFFFAOYSA-N 315.829 4.637 30 20 DJED C=CCc1cc(/C=C\C(=O)c2cccc(C)c2C)cc(OC)c1O 734305011 DUPVEDKRKDSPBI-KHPPLWFESA-N 322.404 4.642 30 20 DJED CC[C@@H]1CCCC(=NNc2ncnc3sc(C)c(C)c23)C1 734977471 ULVFACWFNBEGNC-GFCCVEGCSA-N 302.447 4.676 30 20 DJED CCOc1ccc(Cl)cc1C(=O)/C=C\c1cccc(C#N)c1 735978278 AYONWIKLEAAWDY-VURMDHGXSA-N 311.768 4.506 30 20 DJED COc1ccc(/C=C/C(=O)c2cc3ccccc3o2)cc1Cl 741469446 SDKALUNOTZNESB-SOFGYWHQSA-N 312.752 4.991 30 20 DJED CCCCCC[C@@H](C)C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 744161029 RMBKYTNEOCLTHM-HUUCEWRRSA-N 311.429 4.654 30 20 DJED O=C(/C=C/c1ccc(O)cc1)c1cc(Cl)ccc1OC(F)F 748440697 PWUFJZSWDAWYBY-XVNBXDOJSA-N 324.710 4.543 30 20 DJED CCc1ccc(C(=O)/C=C\c2ccc(Br)s2)o1 752238146 OHJXNVSHSNFSRI-XQRVVYSFSA-N 311.200 4.562 30 20 DJED N#Cc1cccc(C(=O)/C=C/c2csc(Cl)c2Cl)c1 761478122 PVYGSXZIHZPCJQ-SNAWJCMRSA-N 308.189 4.823 30 20 DJED C=CCC[C@@H](C(=O)OCc1ncc(C(C)C)o1)c1ccccc1 778552955 SIDMOSZAPWGRPL-MRXNPFEDSA-N 313.397 4.591 30 20 DJED C=CC[C@@H](NCc1ccc(C(F)(F)F)cc1C)c1ccncc1 785538391 HFEHYAVJJFFBPO-QGZVFWFLSA-N 320.358 4.816 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccsc2Cl)cc1[N+](=O)[O-] 790210148 ZEOHGQGOCKHOKK-PLNGDYQASA-N 307.758 4.514 30 20 DJED FC(F)CON=C1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 799486003 YGRUOUBHIXQPTJ-JTQLQIEISA-N 307.262 4.611 30 20 DJED C[C@H]1/C(=C/c2ccccc2OC(F)F)C(=O)c2ccccc21 809158795 DHYVFHTYONESKT-MKVLZVNKSA-N 300.304 4.671 30 20 DJED O=C(/C=C/c1cc(F)c(F)c(F)c1)c1c(F)cccc1Cl 809159450 PPOXRCPSZMXXIB-SNAWJCMRSA-N 314.665 4.793 30 20 DJED CC(/C=C\C(=O)c1cccnc1)=C\c1ccccc1OC(F)F 811685327 PGABAGYOHXDMFX-CWXHDNBGSA-N 315.319 4.525 30 20 DJED C=C(C)COC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 900231163 CLMLIRZXXOVGLB-UHFFFAOYSA-N 301.411 4.666 30 20 DJED C=CCCCCC[C@@H](C)N[C@H](C(=O)O)c1ccc(C)c(C)c1 901846163 UEFNJWIELAZGPH-AEFFLSMTSA-N 303.446 4.544 30 20 DJED N#CC1(C(=O)OCc2ccc(Cl)c(Cl)c2)CCCCC1 920021401 NYWOVKZVSOKRHJ-UHFFFAOYSA-N 312.196 4.511 30 20 DJED COc1ccc2cc(C=NN[C@@H](C)c3ccccc3)ccc2c1 920386104 QCEIVLKTRYYXLU-HNNXBMFYSA-N 304.393 4.533 30 20 DJED Cc1c(C#N)cccc1NC(=O)CCc1ccc(CC(C)C)cc1 1127069371 NJBYLUITUNCDJV-UHFFFAOYSA-N 320.436 4.637 30 20 DJED COc1cc(C#N)ccc1OCC1CCC(C(C)(C)C)CC1 1164464705 SAYNPESRFPBAAW-UHFFFAOYSA-N 301.430 4.798 30 20 DJED CC[C@H](CN(CC)c1nc(Cl)c(C#N)s1)c1ccccc1 1186184204 JPTFWHYUMPVLQR-GFCCVEGCSA-N 319.861 4.688 30 20 DJED C=CCC[C@@H]1CCCN1C(=O)Nc1c(F)cc(Cl)cc1F 1263641202 JEEMVLSQDWPCHJ-LLVKDONJSA-N 314.763 4.581 30 20 DJED Cc1cc(C)cc(Oc2ccc(Nc3cc(C#N)cnn3)cc2)c1 1306940407 RODGYXFICHSURD-UHFFFAOYSA-N 316.364 4.501 30 20 DJED C[C@H](NCCn1ccc2cc(Cl)ccc21)c1cccc(C#N)c1 1308065818 IUXUYTRNLDRGRV-AWEZNQCLSA-N 323.827 4.517 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC[C@H]1CC 1350098103 PZMONZMZHSGIDQ-RTBURBONSA-N 312.457 4.513 30 20 DJED CC[C@@H](C)N(CC)C(=O)Nc1ccccc1S[C@@H](C)CC#N 1354580412 QZZOIPZCAKSKMW-KGLIPLIRSA-N 319.474 4.733 30 20 DJED CC(C)[C@H](CC1CCCCC1)C(=O)Nc1ccc(C#N)c(C#N)c1 1361044491 ZPHSFVHKFOBLTO-IBGZPJMESA-N 323.440 4.611 30 20 DJED C[C@H](CSc1nc(C(F)(F)F)ccc1C#N)C(C)(C)C 1459030774 CZYCBRNJESRQKV-SECBINFHSA-N 302.365 4.746 30 20 DJED C[C@H](CC1CCCC1)C(=O)N(c1ccccc1C#N)C1CCC1 1532032428 ATPJYFHIRSBASM-OAHLLOKOSA-N 310.441 4.660 30 20 DJED N#Cc1ccc(CN(CC2CCCCC2)C2CC2)c(Cl)c1 1559490862 OPCYIHCUSVFSFR-UHFFFAOYSA-N 302.849 4.756 30 20 DJED CC(C)(C)c1ccc2cc(C(=O)Nc3cccc(C#N)c3)[nH]c2c1 1586892790 WQKCKVBQVIHVOV-UHFFFAOYSA-N 317.392 4.589 30 20 DJED CC1(C)CC[C@H](Nc2ncc(C#N)cc2Cl)c2ccccc21 1639364442 YYFRZWGDLMBGJH-INIZCTEOSA-N 311.816 4.831 30 20 DJED CCC[C@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2 1651676988 JLCTXZNYPNLCRZ-LBPRGKRZSA-N 312.438 4.983 30 20 DJED Cc1c(Cl)cnc(N[C@@H](C)c2ccc(F)cc2Cl)c1C#N 1651883920 JAOCOFJSUOBKDS-VIFPVBQESA-N 324.186 4.881 30 20 DJED CCC(CC)[C@H](NCc1ccc(F)cc1C#N)c1ccccc1 1653049261 QKMDJMCCBJXUFK-FQEVSTJZSA-N 310.416 4.964 30 20 DJED Cc1ccc([C@H]2[C@H](C)CCCN2Cc2ccc(F)c(C#N)c2)cc1 1653437661 BQMXLTGANOIKMO-IIBYNOLFSA-N 322.427 4.979 30 20 DJED C[C@H](N[C@H]1CC[C@](C)(c2ccccc2)C1)c1cccc(C#N)c1 1658897377 KGICLRJJWKKFIJ-NDXORKPFSA-N 304.437 4.719 30 20 DJED CCCC[C@H](CC)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 6043034 XPMQDHHMZRBEFN-STQMWFEESA-N 318.486 4.899 30 20 DJED Cc1cc(C)c(NC(=S)N(CCC#N)CC(C)C)c(Cl)c1 15150843 OWONTEYOCISTDE-UHFFFAOYSA-N 323.893 4.525 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1cccc(SC)c1 43157369 WKBWKGMTQCFHDR-UHFFFAOYSA-N 318.467 4.690 30 20 DJED Cc1ccc(C)c2c(C)c(C(=O)N(C)c3cccc(C#N)c3)oc12 63327240 NMGOYANGTQHTJO-UHFFFAOYSA-N 318.376 4.506 30 20 DJED N#CCC[C@@H](NCc1ccc(F)c(Cl)c1)c1ccccc1 119273134 FZSLJHOYTOORGR-QGZVFWFLSA-N 302.780 4.614 30 20 DJED CC(C)(C#N)CCCNc1ccc(C(=O)Nc2ccccc2)cc1 153629073 CYNUWZWSDJQPEG-UHFFFAOYSA-N 321.424 4.681 30 20 DJED C=C(C)[C@@H](N[C@@H](C)c1ccccc1O)c1ccc(F)c(F)c1 186448503 PNUJVSJYQOLDLH-KPZWWZAWSA-N 303.352 4.638 30 20 DJED CCc1ccc([C@H](C)NCc2cccc(OCCCC#N)c2)cc1 236979031 BUJOTUFBUZGTNT-KRWDZBQOSA-N 322.452 4.782 30 20 DJED Cc1cc([C@H](C)NCc2ccc(O[C@H](C)C#N)cc2)c(C)s1 237580167 GWTKBLXUABGINH-OCCSQVGLSA-N 314.454 4.507 30 20 DJED Cc1noc(C)c1/C=C\C(=O)c1cc(Cl)sc1Cl 255915690 WSGQZDIGDWSVIO-ARJAWSKDSA-N 302.182 4.556 30 20 DJED CCc1c([C@H](C)NCc2ccc(C#N)c(F)c2)oc2ccccc12 404674075 FKMIUEIBIUGAOD-ZDUSSCGKSA-N 322.383 4.857 30 20 DJED CC1(C)CCC[C@H](C(=O)Nc2ccc(Cl)cc2CC#N)C1 410968789 OJGYIEXSBBHXMX-ZDUSSCGKSA-N 304.821 4.561 30 20 DJED C=CC[C@H](C(=O)N[C@@H](C)CCCC(F)(F)F)c1ccccc1 427727785 SGDDMHSUQKCDKC-ZFWWWQNUSA-N 313.363 4.584 30 20 DJED C=CCC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(C(F)(F)F)cc1 442820162 ARPJBILHSFSAIH-COXVUDFISA-N 322.374 4.995 30 20 DJED CC1(C#N)CCC(N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 449295219 QQSNUAIPBGSDRY-ZTRSQXPZSA-N 300.421 4.524 30 20 DJED C=CCCC[C@H](C)NC(=O)Nc1cccc(-c2ncco2)c1C 455492747 RCQBPNJNKHCSFY-ZDUSSCGKSA-N 313.401 4.516 30 20 DJED C=CCCN(C)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 467011572 ZJXMNVNOFPAWLU-MRXNPFEDSA-N 324.424 4.757 30 20 DJED Cc1cc(NC(=O)c2cccc(SCC#N)c2)ccc1C1CC1 475885762 UTELURDQCBHBQT-UHFFFAOYSA-N 322.433 4.740 30 20 DJED C[C@H](CC1CCCCC1)NC(=O)C[C@H](CC#N)c1ccccc1 477098209 HQSVNCVULFGOPT-APWZRJJASA-N 312.457 4.549 30 20 DJED C=C(C)[C@H](N[C@@H]1CCc2ccc(F)cc21)c1ccc(F)c(F)c1 480696232 UUCCNZCFLJCVFF-MOPGFXCFSA-N 317.354 4.998 30 20 DJED C[C@H](NC[C@H]1CCCCC(F)(F)C1)c1ccc(C#N)c(F)c1 495029553 NZTHTYWRYQEIRT-STQMWFEESA-N 310.363 4.564 30 20 DJED CC[C@H](CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 504494646 AZXNENJMZSTZDR-CYBMUJFWSA-N 312.800 4.734 30 20 DJED C=CCN(Cc1cnn(C(C)(C)C)c1)Cc1ccc(Cl)s1 506126844 WSZQREJPDOWDQE-UHFFFAOYSA-N 323.893 4.541 30 20 DJED CC(C)(C)N(Cc1ccc(F)cc1)Cc1ccc(C#N)s1 513028181 WITCVQVYKFOHGC-UHFFFAOYSA-N 302.418 4.560 30 20 DJED Cc1sc(NC(=O)C[C@@H](C)c2ccccc2F)c(C#N)c1C 524271467 MXNILJCASACFKB-SNVBAGLBSA-N 316.401 4.508 30 20 DJED CC(C)(C#N)CCCN[C@H](c1ccccc1F)C1CCCC1 537125423 NTTCKBGJHQDGAA-SFHVURJKSA-N 302.437 4.977 30 20 DJED CC[C@](C)(C#N)C(=O)Nc1cc(-c2ccccc2)ccc1Cl 552219078 FNAUXIWZUCPGOK-GOSISDBHSA-N 312.800 4.885 30 20 DJED CCCCSc1nnc(S[C@H](C#N)c2ccccc2)s1 563441975 NDHOISGMJOQWLH-GFCCVEGCSA-N 321.496 4.787 30 20 DJED CSc1ccccc1[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 581913884 DEEDYDOXSJNLNH-ACJLOTCBSA-N 308.450 4.618 30 20 DJED CC(C)n1cc(C(=O)/C=C\c2ccc(SC(F)F)cc2)cn1 588419308 PBRNHUMKYHBPFU-YVMONPNESA-N 322.380 4.675 30 20 DJED N#CCCCCCC(=O)Nc1ccc(Cl)cc1-n1cccc1 588921157 IMTRLYFZIFLCER-UHFFFAOYSA-N 315.804 4.543 30 20 DJED CC[C@@H](CC#N)N[C@@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 597085669 GUIPCWZQJFLRCM-JQWIXIFHSA-N 318.770 4.572 30 20 DJED C=CCCCCCN(C)C(=O)N[C@@H](c1ccccc1)C(C)C 606918585 JOSOCSFYXWUPHA-GOSISDBHSA-N 302.462 4.772 30 20 DJED C[C@@H](Nc1cccc(C#N)n1)c1ccccc1Oc1ccccc1 609892508 JYTCZUUJDWWHPO-OAHLLOKOSA-N 315.376 4.919 30 20 DJED C=CCC[C@H](NC(=O)N1CCC(F)(F)C[C@H]1C)c1ccccc1 623785789 KCNKDYDUVCQGNE-ZBFHGGJFSA-N 322.399 4.523 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H](CC)CC(F)F 660539486 LYHZOKOEOALDGZ-OAHLLOKOSA-N 313.436 4.524 30 20 DJED C#Cc1cccc(N(C(=O)CCSc2ccccc2)C(C)C)c1 728247708 NFLPVFZTTQPUHQ-UHFFFAOYSA-N 323.461 4.592 30 20 DJED CCCCCCC[C@H](C)CNC(=O)N1CCC[C@@H]1c1ccc[nH]1 734269095 FRMWLFAONDUNPD-FUHWJXTLSA-N 319.493 4.858 30 20 DJED CC(C)(C)c1ncc(/C=C2/Cc3c(Cl)cccc3C2=O)s1 736434435 SGKGBUHKZLZERY-YFHOEESVSA-N 317.841 4.916 30 20 DJED CC(C)Oc1cccc(/C=C2\CCc3cc(C#N)ccc3C2=O)c1 742438427 XEXQHDNIQQGRMI-VCHYOVAHSA-N 317.388 4.558 30 20 DJED C[C@H](OC(=O)/C=C/c1ccc(Cl)s1)c1ccc(C#N)cc1 748680224 AQNIZISWCZVYOD-DJYGCBNOSA-N 317.797 4.591 30 20 DJED C#CCCCCC(=O)N(CCC)[C@@H](C)c1cc2ccccc2o1 773274568 DYHDXCMXDNBFAG-INIZCTEOSA-N 311.425 4.926 30 20 DJED CC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cc(Cl)ccc1O 775491043 YACDSLJVTQUHLY-PXAZEXFGSA-N 314.816 4.719 30 20 DJED CC(C)(C#N)CCCOC(=O)c1sccc1-c1ccccc1 780005137 SUMDGCROEWSQOD-UHFFFAOYSA-N 313.422 4.902 30 20 DJED CCC1(C=NN(Cc2ccccc2)c2ccccc2)CCOCC1 781115602 RIGSOMMRBUNATB-UHFFFAOYSA-N 322.452 4.886 30 20 DJED COc1ccccc1CON=C1CCC[C@@H](c2ncccc2C)C1 799118456 HEHAGSHDYVICEN-MRXNPFEDSA-N 324.424 4.629 30 20 DJED O=[N+]([O-])c1ccc(NN=C2CCC[C@@H]2CCCF)c(Cl)c1 800811812 KEUWJIYUEMEHFI-SNVBAGLBSA-N 313.760 4.566 30 20 DJED C=CCCCCCCNC(=O)c1ccc(F)cc1C(F)(F)F 805218700 KFHFUXGPRAYCDL-UHFFFAOYSA-N 317.326 4.711 30 20 DJED CC(/C=C\C(=O)c1cscn1)=C\c1ccccc1OC(F)F 811694243 QVSAXMZKKQSJFD-BQGCWICQSA-N 321.348 4.587 30 20 DJED COCc1ccccc1/C=C(C)/C=C/C(=O)c1ccc(C#N)s1 814191027 YECWDVPDCWDXHV-DTCTWCMCSA-N 323.417 4.609 30 20 DJED C=CCC(F)(F)C(=O)Nc1ccccc1Oc1ccccc1 814817839 WQCYMJQCNLJHSJ-UHFFFAOYSA-N 303.308 4.629 30 20 DJED Cc1cccc2c(C(=O)O[C@H](C)c3ccc(C#N)cc3)coc12 1126638391 XINPGHKCOFILGB-CYBMUJFWSA-N 305.333 4.531 30 20 DJED Cc1nc(N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)ccc1C#N 1163327132 PDEWBABMNDRPBK-QGZVFWFLSA-N 315.779 4.617 30 20 DJED Cc1c(Cl)ccc2c1N(CCc1ccc(C#N)cc1)CCC2 1167785337 VJKJTPBTKXIWGC-UHFFFAOYSA-N 310.828 4.515 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1N1CCCCCCCC1 1186470542 ONBMNYOAKQFHGD-UHFFFAOYSA-N 313.832 4.920 30 20 DJED Cc1ccc(C(=O)O[C@@H](C)c2cc3ccccc3o2)cc1C#N 1269512118 XXJWGGHIUDZSGH-ZDUSSCGKSA-N 305.333 4.531 30 20 DJED CC(C)[C@H](CC1CCCCC1)C(=O)Nc1cc(C#N)ccc1F 1275426422 XPPKEMVKEIVOKK-INIZCTEOSA-N 316.420 4.878 30 20 DJED CC(C)[C@@H](C)N(CCCC1(C#N)CCOCC1)c1ccccc1 1308073961 NYYNBWZSPWEBOM-GOSISDBHSA-N 314.473 4.638 30 20 DJED CCCC[C@H](CCC)CNC(=O)Nc1cc(C)cc(C#N)c1 1310873390 VGDFDWVPZQCETL-HNNXBMFYSA-N 301.434 4.595 30 20 DJED N#C[C@@H]1CC[C@@H](OC(=O)c2sc3cc(F)ccc3c2Cl)C1 1342575305 ODKPJQXQRJORGR-PSASIEDQSA-N 323.776 4.543 30 20 DJED Cc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1F 1436553066 RFQMPXLQVCECIT-UHFFFAOYSA-N 316.401 4.617 30 20 DJED C[C@@H](Cc1cccc(F)c1)N(C)CCC1(C#N)CCCCC1 1460222226 VXLNFJZYFPNNPH-INIZCTEOSA-N 302.437 4.553 30 20 DJED N#Cc1ccc(NC(=O)c2ccc(-c3ccccc3)s2)cc1F 1460674920 ORJDIRMZRNOBAP-UHFFFAOYSA-N 322.364 4.678 30 20 DJED CC1CC(CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)C1 1472948420 TXXSQOPEIAEAFF-UHFFFAOYSA-N 324.449 4.840 30 20 DJED CCC(CC)(C(=O)OCc1ccc(CC#N)cc1)c1ccccc1 1520640441 KITMYPORJPVELL-UHFFFAOYSA-N 321.420 4.554 30 20 DJED CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1csc(C#N)c1)CCC2 1520915373 LGODJYMNPJQQKA-SFHVURJKSA-N 324.449 4.551 30 20 DJED Cc1cccc([C@@H]2CCCN2Cc2ccc(CC#N)cc2)c1C 1559556184 UZUFYVZDMYKFAZ-NRFANRHFSA-N 304.437 4.707 30 20 DJED CCCc1occc1C(=O)Nc1cc2ccccc2cc1C#N 1584892139 FOZSMEPEJLBCBN-UHFFFAOYSA-N 304.349 4.509 30 20 DJED Cc1nc(C#N)cc(N2CCCC[C@H]2c2ccc(C(C)C)cc2)n1 1650934343 MOCUBIQQZPLBBP-IBGZPJMESA-N 320.440 4.512 30 20 DJED Cc1ccnc(N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)c1C#N 1651395418 VVIGNVMHGDGVKO-IBGZPJMESA-N 319.452 4.901 30 20 DJED Cc1cc(CN(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)ccc1C#N 1652053595 BKHSTLBZRNGXDB-MGPUTAFESA-N 320.436 4.748 30 20 DJED Cc1csc(Nc2cccc(Nc3cccc(F)c3C#N)c2)n1 1655879169 XFKVFLPCGQSSIB-UHFFFAOYSA-N 324.384 4.950 30 20 DJED CCCc1ccc(/C=C\C(=O)c2cc(C(=O)O)ccc2C)s1 1776832130 GLTFZAKXZWHLHJ-KTKRTIGZSA-N 314.406 4.603 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(F)c1 77687470 LFJUITJPYLCSIL-UHFFFAOYSA-N 322.364 4.678 30 20 DJED CC(C)Oc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1 83192842 SVQVCABYWKPDAQ-RMKNXTFCSA-N 302.320 4.648 30 20 DJED C[C@H](NCc1cc(C#N)ccc1F)c1ccccc1C(F)(F)F 90117343 NDRVNXKZSFCDQB-NSHDSACASA-N 322.305 4.567 30 20 DJED CCCN(C(=O)c1sccc1C#N)c1cccc2ccccc12 128134847 SEXJCVVJQPFVAI-UHFFFAOYSA-N 320.417 4.830 30 20 DJED Cc1ccc(-c2noc([C@H](C)SCCCCC#N)n2)cc1F 161437486 HPXIBOFOFLKIPD-LBPRGKRZSA-N 319.405 4.672 30 20 DJED C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 193046609 IGXQHTUQGRVKDG-PBHICJAKSA-N 313.445 4.530 30 20 DJED C[C@H]1C[C@H](Nc2cccc(OCC#N)c2)c2ccsc2S1 216887090 YAHYMOCTDHMZTQ-NHYWBVRUSA-N 316.451 4.688 30 20 DJED C[C@@H]1CC(C)(C)CC[C@@H]1Nc1ccc(C#N)c(Br)c1 311660419 JTAZWPRNFZPRLC-ABAIWWIYSA-N 321.262 4.947 30 20 DJED CC[C@@H](/N=C(/O)c1coc(C2CCCC2)n1)c1nc(C)cs1 328828844 UGBZKIQCYFPVBO-GFCCVEGCSA-N 319.430 4.553 30 20 DJED C=CC[C@@H](C(=O)N[C@@H](C)CCCC(F)(F)F)c1ccccc1 427727782 SGDDMHSUQKCDKC-DZGCQCFKSA-N 313.363 4.584 30 20 DJED Cc1cccc(COc2cccc(N[C@H]3CC[C@H](C#N)C3)c2)c1 442864470 ZTMYUVZQOWDDJR-LPHOPBHVSA-N 306.409 4.678 30 20 DJED CC[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1S[C@@H](C)CC#N 448942831 KXVPLGBUFBXZCX-RRFJBIMHSA-N 316.470 4.846 30 20 DJED CC[C@](C)(C#N)c1nc(C2CCC(c3ccccc3)CC2)no1 453197008 MVYJQESRLDPYKS-LADRWXRNSA-N 309.413 4.702 30 20 DJED Cc1cc(Cl)c(NC(=O)N(CCC#N)CCC(C)C)cc1C 455756876 YVHTUZRJHYVAAA-UHFFFAOYSA-N 321.852 4.751 30 20 DJED CC[C@@H](C)n1ncc(N[C@H]2CCCCc3cc(C#N)ccc32)c1C 481997863 AZUWXLAGXRGPAD-KUHUBIRLSA-N 322.456 4.914 30 20 DJED CC(C)(C)CCC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 505481972 VVRGISFFAPRESG-LBPRGKRZSA-N 313.228 4.501 30 20 DJED C=CCCC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 523956223 FECKREIONSNFSK-UHFFFAOYSA-N 300.427 4.640 30 20 DJED C=CCOc1ccc(CNC2CCC(F)(F)CC2)cc1Cl 534898809 FSQRDSHJZUHGCN-UHFFFAOYSA-N 315.791 4.572 30 20 DJED CCSc1ccc([C@H](C)NCc2cccc(C#N)c2F)cc1 537101436 MPPKJHNQVIFJFB-ZDUSSCGKSA-N 314.429 4.660 30 20 DJED C[C@H](N[C@H]1CCC[C@H]1c1ccccc1)c1ccc(C#N)c(F)c1 538507857 HZNZZUSZJCGECV-DCPHZVHLSA-N 308.400 4.684 30 20 DJED N#Cc1csc(CNC2CCC(c3ccc(F)cc3)CC2)c1 541923205 KICSOQBIJINILV-UHFFFAOYSA-N 314.429 4.575 30 20 DJED N#CCc1ccc(NCc2ccc(-c3c(F)cccc3F)o2)cc1 544729314 IBTUMYIBYRYBQP-UHFFFAOYSA-N 324.330 4.903 30 20 DJED CC#CCCCC(=O)N(Cc1cccs1)C(C)(C)CCC 554986764 FQMKWKXLOWROGV-UHFFFAOYSA-N 305.487 4.849 30 20 DJED N#CC[C@@H](Cc1nc(CCC2CCCCC2)no1)c1ccccc1 583838038 OOUFSCTWBXQFNG-SFHVURJKSA-N 323.440 4.822 30 20 DJED C[C@@H](NCc1ccc(Cl)c2cccnc12)c1cccc(C#N)c1 611387601 QJVASWONYBEUNQ-CYBMUJFWSA-N 321.811 4.611 30 20 DJED CC(C)(C)OCc1ccc(NCc2ccc(C#N)c(F)c2)cc1 616273819 VLIPLHDNJXDMMP-UHFFFAOYSA-N 312.388 4.625 30 20 DJED Cc1ccc2c(c1)[C@@H](NCc1ccc(C#N)c(Cl)c1)[C@@H](C)C2 619755916 YUHWHWZMZYXMBY-DJJJIMSYSA-N 310.828 4.543 30 20 DJED CCCCC[C@@H](C)CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 742646369 MRTJXPHOGQAOGA-CZUORRHYSA-N 306.837 4.627 30 20 DJED Cc1ccc2cc(C(=O)/C=C/c3c[nH]nc3C(C)(C)C)oc2c1 754823936 GSTRGVVLUMVTLJ-BQYQJAHWSA-N 308.381 4.658 30 20 DJED CC(C)(C)Oc1ccc(C(=O)/C=C\c2cccnc2Cl)cc1 764918832 AOHLOBZXNINOSZ-FLIBITNWSA-N 315.800 4.808 30 20 DJED Fc1cccc(C2CC(=NNc3cccc4cnccc34)C2)c1 781593524 UXOIKMNXRMEGAI-UHFFFAOYSA-N 305.356 4.719 30 20 DJED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)OCCCC(C)(C)C#N 784952605 AFVNCTNFQANVFY-CVEARBPZSA-N 313.441 4.849 30 20 DJED CCCCCCCCCC(=O)N1CCCCC[C@H]1c1ncon1 787264026 YCRZBPQLFNCMRN-INIZCTEOSA-N 321.465 4.654 30 20 DJED Cc1oc(C#N)cc1C(=O)N[C@H](c1ccccc1)C1CCCCC1 797828468 DUJTYLKTEWVGGD-LJQANCHMSA-N 322.408 4.511 30 20 DJED Cc1nn(C(C)C)cc1/C=C\C(=O)c1cccc(C(F)(F)F)c1 798369794 RYCXHBFVMWEGHS-FPLPWBNLSA-N 322.330 4.687 30 20 DJED Cc1cc(C(=O)/C=C/c2ccc(Br)s2)oc1C 799896137 GQDGAEZRBHKLFW-HWKANZROSA-N 311.200 4.617 30 20 DJED c1nc(NN=C2CCC3(CCCC3)CC2)c2sccc2n1 811645215 DMLJXVVEJZHCPH-UHFFFAOYSA-N 300.431 4.594 30 20 DJED CC(=NNc1cccc(C)c1)c1nc2ccccc2n1C(F)F 812374580 FWPGNRBODCNIHN-UHFFFAOYSA-N 314.339 4.576 30 20 DJED CSc1ccc(C=NNc2nccc3sccc23)s1 814808476 APNFYFCOMKXDEG-UHFFFAOYSA-N 305.453 4.526 30 20 DJED CCCCC[C@H](CC)C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842941131 OFASGPQPVLFORM-JSGCOSHPSA-N 304.459 4.803 30 20 DJED CCC(C#N)(CC)C(=O)Nc1ccc(-c2ccccc2)cc1C 858406047 CEILZEHTNPPRSS-UHFFFAOYSA-N 306.409 4.931 30 20 DJED CCCCCCCNC(=O)Nc1cccc(-c2ncco2)c1C 861141338 VEKPNIXYSRDFOE-UHFFFAOYSA-N 315.417 4.742 30 20 DJED Cc1cc2occ(CC(=O)OCCCCC#N)c2cc1C(C)C 914618197 OYRUKADDWWBFGJ-UHFFFAOYSA-N 313.397 4.644 30 20 DJED Cc1cc(C=Nn2c(C)nnc2C)c2c(C)ccc(C(C)C)cc1-2 916350533 RBDGUQDEDVADBD-UHFFFAOYSA-N 320.440 4.622 30 20 DJED C/C(=C\C(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 917543366 MWWRKOZLPJLCRT-ACCUITESSA-N 322.433 4.541 30 20 DJED CCOc1ccccc1[C@@H](CC(C)C)Nc1cccc(CC#N)n1 1116662021 NQSDOFZMKULTIY-GOSISDBHSA-N 323.440 4.746 30 20 DJED CC[C@@H](Nc1ncc(C#N)cc1Cl)C(C)(C)c1ccccc1 1162822919 AIXKRBDIBFWSHB-MRXNPFEDSA-N 313.832 4.775 30 20 DJED N#Cc1cccc(SCc2c(F)cccc2Br)c1 1165755648 TUYXFCKDLZLZTL-UHFFFAOYSA-N 322.202 4.752 30 20 DJED CC[C@@H](CN(CC)c1nc(Cl)c(C#N)s1)c1ccccc1 1186184205 JPTFWHYUMPVLQR-LBPRGKRZSA-N 319.861 4.688 30 20 DJED N#Cc1cc(NC(=O)C2(F)CCCC2)ccc1Oc1ccccc1 1269953424 SMPSTKLCLXRDAM-UHFFFAOYSA-N 324.355 4.571 30 20 DJED Cc1nc(Nc2ccc3nc(C(C)C)sc3c2)ccc1C#N 1306947854 WOZZXYBAKGKBEL-UHFFFAOYSA-N 308.410 4.738 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C/C=C/c1cccc(F)c1 1308577797 LTTYYEIBHLHNBH-OCXKFJFWSA-N 320.411 4.611 30 20 DJED CCc1ccc([C@H](N[C@H]2CC[C@@H](C#N)C2)c2cccc(F)c2)cc1 1325159846 SUIKOCLCKQZMME-CZAAIQMYSA-N 322.427 4.759 30 20 DJED Cc1cccc(-c2ccc(CNc3cccc(CC#N)n3)cc2)c1 1330033808 CDDIMQDCYKZLKL-UHFFFAOYSA-N 313.404 4.735 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[C@H](CC)CC1 1355729462 SZDGCPPKXDNXJI-RUCARUNLSA-N 312.457 4.513 30 20 DJED CC(C)Cc1cccc([C@@H](C)C(=O)N(C)c2ccccc2C#N)c1 1356249410 NJBZJVIORAAYRJ-MRXNPFEDSA-N 320.436 4.523 30 20 DJED Cc1nc(N[C@H](C)Cc2ccccc2Cl)c(Cl)cc1C#N 1458115738 ZMGMCOATAPQYMD-SNVBAGLBSA-N 320.223 4.612 30 20 DJED N#CC[C@H](C(=O)N[C@H](C1CCCCC1)C1CCC1)c1ccccc1 1461142583 WKBVQYNVJMNTOR-VQTJNVASSA-N 324.468 4.549 30 20 DJED COc1cccc([C@H](C)Sc2nc(Cl)c(C#N)s2)c1 1472725606 NTXOIHQPFRPSKF-QMMMGPOBSA-N 310.831 4.530 30 20 DJED CC(C)CC1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 1473218274 YGXUAXVLCWGGKF-UHFFFAOYSA-N 320.864 4.500 30 20 DJED N#Cc1ccc(CCN[C@@H](c2ccccc2F)C2CCCC2)cc1 1473310014 UTMOVLCMUCMCEB-OAQYLSRUSA-N 322.427 4.761 30 20 DJED N#CC[C@H]1CCCN(Cc2ccc(Oc3cccc(F)c3)cc2)C1 1474625121 KCVJPPCHQLCHHF-MRXNPFEDSA-N 324.399 4.744 30 20 DJED N#C[C@H]1CCC[C@H](OC(=O)c2ccc(-c3cccs3)s2)C1 1584702440 BGLSKTZTQVABAU-RYUDHWBXSA-N 317.435 4.716 30 20 DJED Cc1ccc(CNc2ccc(C#N)cn2)c(O[C@H](C)CC(C)C)c1 1642442027 VBLWJVKCSCZBGS-MRXNPFEDSA-N 323.440 4.687 30 20 DJED CCCC[C@H](CC)CN1CCC(Oc2cccc(C#N)c2)CC1 1653339170 KIOMLXIOFULJSM-KRWDZBQOSA-N 314.473 4.618 30 20 DJED CCCOc1cccc(COc2cc(Cl)ccc2C#N)c1 1656382014 QFSZYVSDSXHRJL-UHFFFAOYSA-N 301.773 4.579 30 20 DJED CC[C@@H](NC(=O)Nc1cccc(CC#N)c1)c1cc(C)ccc1C 1661888071 LUBUKKPYGRUGQJ-LJQANCHMSA-N 321.424 4.642 30 20 DJED CC(C)(C)C1CCC(C=NNc2ccc(C(=O)O)cc2)CC1 1776013112 ACHSAQSMQUSVGU-UHFFFAOYSA-N 302.418 4.635 30 20 DJED CCCC[C@H](CC)CC(CC)=NNc1ccc(C(=O)O)nc1 1776072703 KBNHJNBSYLQRBQ-ZDUSSCGKSA-N 305.422 4.564 30 20 DJED N#Cc1ccc(CNC(c2ccccc2)c2ccccc2)c(F)c1 14901493 CIYQDLIPPHHAQA-UHFFFAOYSA-N 316.379 4.577 30 20 DJED CC(C)CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 46706819 FLPMXFVVTSCLHW-ZDUSSCGKSA-N 318.829 4.686 30 20 DJED C#Cc1cccc(NC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)c1 47399789 MOJFABZKORVCJX-GOSISDBHSA-N 324.811 4.690 30 20 DJED CCCCCCCC[S@@](=O)Cc1nc2ccccc2nc1C 190744649 UBISDEGORRYKES-JOCHJYFZSA-N 318.486 4.547 30 20 DJED N#CCC[C@@H](N[C@@H]1CCCc2ccc(F)cc21)c1ccccc1 344284221 CCOHTIMRDLGORR-WOJBJXKFSA-N 308.400 4.838 30 20 DJED COc1cc(CN[C@H](c2ccccc2C)C(C)(C)C)ccc1C#N 440615448 HRZSOJKPYCVWLH-HXUWFJFHSA-N 322.452 4.752 30 20 DJED CC1(C#N)CCC(NCC(C)(C)c2cccc(Cl)c2)CC1 449108212 SRLKSNYLPRICFD-UHFFFAOYSA-N 304.865 4.680 30 20 DJED C[C@H](CCN[C@H]1CCC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 463246650 RTZATEXYNKKOLA-CPUCHLNUSA-N 324.390 4.871 30 20 DJED C=CC[C@@H](CC)NC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 466378469 NPPMPODSNCZGFI-HZPDHXFCSA-N 306.837 4.541 30 20 DJED C=CCC(CC=C)C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 467833435 ZJTQGRKTHPWUPD-GFCCVEGCSA-N 311.347 4.651 30 20 DJED Cc1cc(C)cc([C@H](C)NC(=O)C[C@@H](CC#N)c2ccccc2)c1 475761838 RWDMJHJEZPWQJH-PKOBYXMFSA-N 320.436 4.568 30 20 DJED CCC[C@@H](C(=O)N(Cc1ccco1)c1ccccc1C#N)C(C)C 488404197 DXXSBFLTUPZHCX-GOSISDBHSA-N 324.424 4.757 30 20 DJED C[C@@H](c1ccc(F)cc1)N1CC=C(c2ccc(C#N)cc2)CC1 502513185 WNLKBJZZIMLMMO-HNNXBMFYSA-N 306.384 4.548 30 20 DJED Cc1cc(NCC(C)(C)CCC#N)cnc1N1CCCC[C@H]1C 503889995 FPHBXMVCANFTJJ-MRXNPFEDSA-N 314.477 4.511 30 20 DJED N#Cc1cccc(C(=O)Nc2cccc(-c3cccs3)c2)c1 505898651 KWOSAKMOPJXOGG-UHFFFAOYSA-N 304.374 4.539 30 20 DJED CC1(CC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCCCC1 510466437 WZAATZBBOSQSEB-OALUTQOASA-N 324.468 4.645 30 20 DJED CC[C@H](c1ccccc1)N(CC)C(=O)Nc1ccc(C#N)cc1 519888311 NHKOUYGPINYIMD-GOSISDBHSA-N 307.397 4.563 30 20 DJED N#CCc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 535373377 YRTOWAHDJDWZEK-UHFFFAOYSA-N 312.372 4.672 30 20 DJED C[C@@H]1C[C@H]1c1noc(-c2cccc(Oc3ccc(C#N)cc3)c2)n1 547187842 WCLCPDILUSMHRY-SJKOYZFVSA-N 317.348 4.524 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1cc2ccccc2o1 559432397 RQKPILYFXFUBQU-UHFFFAOYSA-N 304.393 4.717 30 20 DJED C=CCCSCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 570608884 NSWSWMRJVPVKSY-UHFFFAOYSA-N 323.767 4.607 30 20 DJED CC(C)CC[C@@H](NC[C@H](C#N)CCC#N)c1ccc(Cl)cc1 571790208 CNAHNQQUXDJUDT-MAUKXSAKSA-N 317.864 4.850 30 20 DJED N#CCCCCCC(=O)NCC1(c2cccs2)CCCCC1 588378488 ZZQDWBCLCFLSAV-UHFFFAOYSA-N 318.486 4.540 30 20 DJED CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCCCCC#N)o1 588628963 ZEISACAQBBXNKD-WBVHZDCISA-N 316.445 4.616 30 20 DJED C=CCOc1ccc(CN[C@H](C)CCc2ccco2)cc1Cl 589636143 ZUMKCGGJGZCXBL-CQSZACIVSA-N 319.832 4.609 30 20 DJED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1cc2ccncc2s1 595021838 GHZIAKBZSAYLTH-RHSMWYFYSA-N 321.449 4.992 30 20 DJED Cc1oc(-c2cccs2)nc1CSCC1(CC#N)CC1 596327616 ILSCZOFJEJHIQY-UHFFFAOYSA-N 304.440 4.639 30 20 DJED C=CCC[C@@H](NC(=O)CCCF)c1ccc(C(F)(F)F)cc1 612803514 SNIJCZIBZIQZKQ-CQSZACIVSA-N 317.326 4.579 30 20 DJED C[C@H]1CCCC[C@H]1c1noc(-c2cc3ccccc3n2CC#N)n1 612928331 UJJMBDBMZVNSEA-DZGCQCFKSA-N 320.396 4.509 30 20 DJED CC(C)c1ccc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)cc1 647371696 WUJACWQXMIJRPK-HNNXBMFYSA-N 310.422 4.634 30 20 DJED C=CCCC1(C(=O)Nc2ccc3nc(C(F)F)sc3c2)CC1 672299904 AUFWHVLBNVHMMD-UHFFFAOYSA-N 322.380 4.919 30 20 DJED Cc1ccsc1C(=O)/C=C\c1ccccc1OC(F)(F)F 733749127 RNLNIRIWRDHZKW-SREVYHEPSA-N 312.312 4.851 30 20 DJED O=C(/C=C\c1cnc2ccccn12)c1ccc(Cl)cc1Cl 740764224 OZOGMGRKBNSJRV-ALCCZGGFSA-N 317.175 4.537 30 20 DJED O=C(/C=C/c1nc(Cl)cs1)c1ccccc1C(F)(F)F 759069727 BGBDOIZRSSGHMN-AATRIKPKSA-N 317.719 4.711 30 20 DJED C#CC[C@H](NCc1ccc(F)c(Cl)c1Cl)c1ccccc1 762455307 SAWUWFNATLSDDC-HNNXBMFYSA-N 322.210 4.987 30 20 DJED COc1ccsc1/C=C/C(=O)c1cccc(-c2ccncc2)c1 764433129 CNOHAEPXMWWDLK-AATRIKPKSA-N 321.401 4.715 30 20 DJED C=CCN(C(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1)C(C)C 766347691 ZFODYVFPMIXKAR-QZTJIDSGSA-N 309.494 4.565 30 20 DJED Cc1cc(C(=O)/C=C/c2cccc(-c3cccnc3)c2)ccc1O 768489761 GQIJINVCFRCEIL-VQHVLOKHSA-N 315.372 4.659 30 20 DJED CCOc1c(Cl)cc(/C=C/C(=O)c2occc2C)cc1OC 769783232 ASJFOWWLXUSEMQ-AATRIKPKSA-N 320.772 4.545 30 20 DJED C=C(Cl)CN[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 773003612 FNDFIWCDAAQHFI-JTQLQIEISA-N 310.825 4.661 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1cc(F)cc(Cl)c1 776720183 IUIYVNXNSUSUEY-AATRIKPKSA-N 320.795 4.769 30 20 DJED C[C@@H](Nc1ccc(F)cc1OC(F)F)c1ccc(C#N)c(F)c1 777709877 UDRQOWFYCPWEJM-SECBINFHSA-N 324.277 4.611 30 20 DJED CC(=NNc1cnnc2ccccc12)c1cc2ccccc2s1 780227745 SDUZNWVRNZGCIP-UHFFFAOYSA-N 318.405 4.681 30 20 DJED C#CCC1(C(=O)Nc2ccc(-c3nccs3)cc2)CCCCC1 788431051 NLHWYYUGLJMXMG-UHFFFAOYSA-N 324.449 4.722 30 20 DJED C[C@H](Nc1cccc(OCC#N)c1)[C@H](C)c1ccc(Cl)cc1 793060359 ASRJHASUZJSAEM-KBPBESRZSA-N 314.816 4.846 30 20 DJED CC[C@](C)(C#N)C(=O)O[C@@H](C)c1ccc(Cl)c(Cl)c1 796889480 KDCFTWGCTZSJGX-LKFCYVNXSA-N 300.185 4.537 30 20 DJED C#C[C@@H](NCc1sccc1Cl)c1ccc(Cl)cc1F 809699209 LOWMZFVAFOHHEN-CYBMUJFWSA-N 314.212 4.658 30 20 DJED C=CCC(F)(F)C(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1 815067984 VURMNPRIKXKPAO-LLVKDONJSA-N 313.775 4.603 30 20 DJED C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C#CC(C)(C)C 837330978 KQQLTMGEFKGIHQ-NSHDSACASA-N 312.240 4.562 30 20 DJED FC(F)(F)[C@H]1CCC[C@@H](C=NNc2ccnc(Cl)c2)C1 853397283 NGMMDFGMXIJPMQ-ZJUUUORDSA-N 305.731 4.501 30 20 DJED COc1ccc(C(=O)/C=C\c2ccccc2OC(C)C)c(F)c1 916141427 IXZVWMDWLUHSGF-FLIBITNWSA-N 314.356 4.518 30 20 DJED CC(=NNc1ccc(Cl)c(Cl)c1)c1nc(C)sc1C 916250326 ZYKHQZHTSMZXCQ-UHFFFAOYSA-N 314.241 4.903 30 20 DJED CCC/C(C)=C\C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 920323781 JRLLHAXAYOBMIB-VSKPTYQZSA-N 310.422 4.733 30 20 DJED C[C@@H](NN=Cc1csc(-c2ccsc2)n1)c1ccccc1 920382352 GFNQWBYDYKTCMF-GFCCVEGCSA-N 313.451 4.556 30 20 DJED Cc1ccc(-c2ccc(C=Nn3cnc4ccccc43)s2)cc1 920478554 AZPNNCAEIXRHBQ-UHFFFAOYSA-N 317.417 4.955 30 20 DJED CC[C@H](OC(=O)c1cc(C#N)oc1C)c1c(F)cccc1Cl 1127133391 WZDRZQUSOHFXFA-AWEZNQCLSA-N 321.735 4.560 30 20 DJED CC(C)(C#N)c1ccccc1COc1cc(F)cc(Cl)c1 1189830989 DBTWECZVMVWSCB-UHFFFAOYSA-N 303.764 4.859 30 20 DJED CCCCN(C(=O)c1cccc(C#N)c1C)[C@H](C)c1ccc(C)o1 1264453587 CWKCYGKMPOBEAW-MRXNPFEDSA-N 324.424 4.772 30 20 DJED Cc1cc(NC(=O)CC2(C#N)CCCCC2)cc(C)c1Cl 1270143433 CBIJDTMZMSPLHJ-UHFFFAOYSA-N 304.821 4.760 30 20 DJED C[C@H](CCC#N)CNCc1cccc(Oc2ccccc2F)c1 1308848375 RDYNKGHZUBDTGW-OAHLLOKOSA-N 312.388 4.647 30 20 DJED C[C@H]1CC(C)(C)CC[C@H]1NC(=O)Nc1ccc(C#N)cc1Cl 1310423302 JASTVGWNTFIUNZ-SMDDNHRTSA-N 319.836 4.548 30 20 DJED O=C(O)c1ccc(-c2ccc(/C=C/C(=O)c3ccsc3)o2)cc1 1318328667 XMFNSUGVTADOSY-FNORWQNLSA-N 324.357 4.602 30 20 DJED Cc1ccc(C#N)c(NC[C@H]2CCC(C)(C)c3ccccc32)n1 1458268516 SJXGQDDTIRWGGG-MRXNPFEDSA-N 305.425 4.529 30 20 DJED C[C@H](c1ccc(Cl)cc1)N(Cc1ccc(C#N)s1)C1CC1 1473229237 PBGJHWOPEZROOG-GFCCVEGCSA-N 316.857 4.999 30 20 DJED CC(C)C[C@H](C(=O)OCc1ccc(CC#N)cc1)c1ccccc1 1520148467 KGLZUCWRKBTHKD-FQEVSTJZSA-N 321.420 4.626 30 20 DJED CC(C)[C@@H](C(=O)Nc1cccc(C#N)c1)c1cccc(Cl)c1 1521495892 XIHRVOBVIYDNPP-QGZVFWFLSA-N 312.800 4.590 30 20 DJED C[C@@H]1CCc2c(sc(NC(=O)CC(C)(C)C3CC3)c2C#N)C1 1523649028 OFWCHSQXBYKGGI-LLVKDONJSA-N 316.470 4.509 30 20 DJED N#Cc1ccc(CN(C(=O)CCC2CCCCCC2)C2CC2)cc1 1536687241 PZQKCZTVSAFPID-UHFFFAOYSA-N 324.468 4.800 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)Nc1scc(C)c1C#N 1544278195 YKVWSNNCTCNOTR-CQSZACIVSA-N 304.459 4.863 30 20 DJED CC[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cccc(C#N)c1F 1559566166 ZFHLFQCWMGEBOB-VQTJNVASSA-N 322.427 4.856 30 20 DJED CCCC[C@@H](CC)CCCN(C)C(=O)c1cc(C#N)ccc1F 1586673982 WLFGTHXONLGUMW-OAHLLOKOSA-N 318.436 4.766 30 20 DJED CCCN(CCc1cccs1)Cc1ccc(Cl)cc1C#N 1642642873 VEAMVEHNAUNHNM-UHFFFAOYSA-N 318.873 4.728 30 20 DJED N#Cc1ccc(Sc2nc(C3CCCCC3)ns2)c(F)c1 1651540137 VBNUUDDNXBUBGA-UHFFFAOYSA-N 319.430 4.748 30 20 DJED N#Cc1c(F)cccc1OCCc1cccc(Cl)c1Cl 1656389330 YZKBJJUYBQGASF-UHFFFAOYSA-N 310.155 4.626 30 20 DJED C[C@@H]1CCC[C@H](Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 1662563742 RWWCLNZHYWRXPP-ZBFHGGJFSA-N 307.397 4.736 30 20 DJED C[C@@H](CCC#N)CN(CCc1ccccc1)CCC(C)(C)C 1665528652 IXLYZKUTIFBYCU-SFHVURJKSA-N 300.490 4.907 30 20 DJED C=CCc1ccccc1CNc1ccc([C@H](C)CC(=O)O)cc1 1776188626 BBFOFSLJRRCAAT-OAHLLOKOSA-N 309.409 4.605 30 20 DJED N#Cc1ccc(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1 36719967 FFXHCUDWPIRHKL-UHFFFAOYSA-N 310.706 4.843 30 20 DJED CCCN(CCC)C(=O)Nc1ccccc1S[C@H](C)CC#N 109028203 LMBHJZMDGQLGHH-CQSZACIVSA-N 319.474 4.735 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cc2c(s1)CCCC2 154328251 OWSXKWUFGWZFLQ-KGLIPLIRSA-N 310.466 4.910 30 20 DJED CCCc1ccccc1NC(=O)Nc1ccccc1O[C@@H](C)C#N 183635933 BNMDBCKXEOBVNB-AWEZNQCLSA-N 323.396 4.574 30 20 DJED COc1cccc(CNc2ccc(C#N)cc2)c1OC1CCCC1 301303963 WWUTUBCJYARWOJ-UHFFFAOYSA-N 322.408 4.500 30 20 DJED Cc1oc(C(C)C)cc1/C(O)=N/[C@H](CC(=N)O)C1CCCCC1 330609974 MULBQHQNQTVAOX-OAHLLOKOSA-N 320.433 4.890 30 20 DJED N#CCCC[C@H](NC(=O)[C@@H]1CC12CCCCC2)c1ccccc1 352192073 IVRYKLOXLIZXFH-ROUUACIJSA-N 310.441 4.508 30 20 DJED Cc1nc2c(s1)[C@H](N(C)CCC1(C#N)CCCCC1)CCC2 411378608 OBNHKFXPBMSQEY-MRXNPFEDSA-N 317.502 4.625 30 20 DJED CN(CCC1CCCCC1)C(=O)Nc1ccc(C#N)cc1Cl 426127460 IIUSOMIQORKXAI-UHFFFAOYSA-N 319.836 4.646 30 20 DJED N#C[C@H]1CC[C@H](Sc2nc(-c3ccco3)nc3ccccc23)C1 430118620 DMURSAKWWUKQPB-STQMWFEESA-N 321.405 4.674 30 20 DJED CC[C@H](C)Oc1cccc(NC(=O)Nc2ccc(CC#N)cc2)c1 432647208 ZSADDCSTIMBQFH-AWEZNQCLSA-N 323.396 4.574 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1cc(Cl)c(Cl)cc1F 439975369 DJJCRRSIUHEJMI-VIFPVBQESA-N 317.191 4.705 30 20 DJED C[C@@H](Sc1nccn1Cc1ccccc1)c1cccc(C#N)c1 442899454 FUHBZISAEJJQNO-OAHLLOKOSA-N 319.433 4.656 30 20 DJED C=CCCCC[C@@H](C)Nc1cccc(NC(=O)N(C)C)c1C 449295426 SAFWDWUXGYRYFZ-CQSZACIVSA-N 303.450 4.635 30 20 DJED N#CC[C@@H](CC(=O)Nc1cccc2c1CCCC2)c1ccccc1 474406794 AMLWXERDHOZPPI-SFHVURJKSA-N 318.420 4.591 30 20 DJED CCCC(C#N)(CCC)NC(=O)c1cc2cc(C)c(C)cc2o1 475735938 WEJIWWJUVOCCDJ-UHFFFAOYSA-N 312.413 4.642 30 20 DJED CCCCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H](C)CC 475771410 UHYZNWZWMVOCRG-AEFFLSMTSA-N 300.446 4.501 30 20 DJED C=C(C)CN(C)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 479224509 WWOBNDZSMFRRDB-SFHVURJKSA-N 311.450 4.555 30 20 DJED C=CCC[C@H](C(=O)Nc1ncc(Cl)cc1C)c1ccccc1 485100528 BIJJTLVCINJMMO-INIZCTEOSA-N 314.816 4.732 30 20 DJED COc1cc(C#N)cc(Cl)c1OCc1cc2ccccc2o1 486921241 BDDYKXRFKCRMLL-UHFFFAOYSA-N 313.740 4.545 30 20 DJED CC(C)(C)c1cc(NC(=O)C[C@@H]2C=CCCC2)c(C#N)s1 489655976 FLEKOLXSWMMXKM-GFCCVEGCSA-N 302.443 4.602 30 20 DJED N#CCC[C@@H](C#N)CNc1cc(Cl)ccc1OC1CCCC1 516966009 FGVYKUTYTWCNFM-ZDUSSCGKSA-N 317.820 4.517 30 20 DJED CCC(CC)[C@@H](C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 535616586 MAQVUSRMVBEOFH-UONOGXRCSA-N 318.486 4.949 30 20 DJED C=CCCOCCCCc1nc(-c2cccc3ccccc23)no1 539408631 MJJRZJDNBZXVHJ-UHFFFAOYSA-N 322.408 4.805 30 20 DJED C=CCCC[C@@H](C)NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 540490396 QJCISRUZJRLWNS-CABCVRRESA-N 314.429 4.880 30 20 DJED C=CCCC[C@@H](C)N[C@H](C)c1ccc(NC(=O)NC(C)C)cc1 540605826 LJIGDPMAEDXQIT-HZPDHXFCSA-N 317.477 4.612 30 20 DJED CC(C)(C#N)c1ccccc1CN[C@@H](C(C)(C)C)C(F)(F)F 542775679 AMEAYIMZTXLMIP-AWEZNQCLSA-N 312.379 4.554 30 20 DJED C[C@H](c1cc2ccccc2o1)N(C)c1nccc(C#N)c1Cl 570577772 NWSKBFHTSWQJPF-LLVKDONJSA-N 311.772 4.550 30 20 DJED C=CCCN[C@H](c1ccccc1)c1ccc(OC(F)F)cc1 606896333 IAIKQKZOCBSKRL-QGZVFWFLSA-N 303.352 4.543 30 20 DJED CC(C)(C)c1ccc([C@@H](NCCCCC#N)C(F)(F)F)cc1 608832842 VCDWEAWBBYLYCZ-OAHLLOKOSA-N 312.379 4.871 30 20 DJED C[C@@H](N[C@H](C)c1cc2c(s1)CCCC2)c1cccc(C#N)c1 610829837 NXYZSJZTXXJGET-ZIAGYGMSSA-N 310.466 4.910 30 20 DJED CCOc1cccc2cc([C@@H](C)Nc3ccc(C#N)cc3)oc12 619511639 VSIAYJXDJTXIRW-CYBMUJFWSA-N 306.365 4.876 30 20 DJED Cc1c(C(=O)/C=C/c2cccc(OCC#N)c2)oc2ccccc12 730150613 CQUJUJPYBMKCCZ-MDZDMXLPSA-N 317.344 4.540 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C\c3cccc(C)c3C)c2c1 734306981 KFBUFCNRLQGFMW-YFHOEESVSA-N 305.377 4.689 30 20 DJED O=C(/C=C/c1cc(F)ccc1F)c1ccc(-c2ccncc2)cc1 745989906 GJHWGKJXTOKHNL-VMPITWQZSA-N 321.326 4.923 30 20 DJED CC1=C(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCC1 746825925 JNQQSUICHNZDMQ-FQEVSTJZSA-N 316.404 4.781 30 20 DJED CCc1ccccc1NC(=S)N(c1cccc(C#N)c1)C(C)C 749767691 KOLMEQKNOHRKKH-UHFFFAOYSA-N 323.465 4.732 30 20 DJED COc1ccc(C(=O)/C=C/C=C\c2ccc(F)cc2F)c(F)c1 758018462 WGEWJEZPBZXCMU-VOERYJCWSA-N 318.294 4.565 30 20 DJED COc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1OC1CCCC1 765921951 UFYHZRSABRFQGA-GJZGRUSLSA-N 314.429 4.511 30 20 DJED CC(C)(C)c1cc(NC(=O)[C@@H](F)c2ccccc2)c(C#N)s1 769477199 SAYKCACENVPJRF-HNNXBMFYSA-N 316.401 4.567 30 20 DJED C=C(C)[C@H](NCc1ccc(OC)c(C)c1)c1ccc(F)c(F)c1 775319788 ZXLFPGUVYKBZFD-IBGZPJMESA-N 317.379 4.689 30 20 DJED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1c(F)cccc1F 775375239 JGXBFAVSIZACIH-KPZWWZAWSA-N 312.363 4.565 30 20 DJED CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cc(Cl)ccc1O 775491064 YACDSLJVTQUHLY-YVEFUNNKSA-N 314.816 4.719 30 20 DJED Clc1ccccc1[C@@H]1CCCC1=NNc1ncncc1Cl 780282911 KXUAZXKUPXMCIL-NSHDSACASA-N 321.211 4.519 30 20 DJED C[C@@]1(c2ccccc2)CC[C@H](Nc2ccc(F)cc2OCC#N)C1 783661139 OIRQURCORNNQPK-FXAWDEMLSA-N 324.399 4.650 30 20 DJED Cc1nn(C(C)C)cc1/C=C1\C(=O)c2ccccc2[C@H]1C(C)C 798370614 SHMIYILFJQJKLU-XLYVWGIVSA-N 308.425 4.792 30 20 DJED FCCC[C@H]1CCCC1=NNc1ncc(Cl)cc1Cl 800807271 QOVDBCKNZFVPIG-SECBINFHSA-N 304.196 4.706 30 20 DJED C=C1CCC(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 888862949 VHQHSCVQRCOXBA-CQSZACIVSA-N 314.454 4.623 30 20 DJED C/C(=C(/F)C(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CC1 900630252 JUJZVJLEWFNJAE-SPSOFYIISA-N 318.417 4.530 30 20 DJED CCCCCCCCCC(=O)Nc1ccc(Cl)c(C(N)=O)c1 913011095 SNUADVQVHPFERQ-UHFFFAOYSA-N 324.852 4.518 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc(OC(C)C)cc2)c(F)c1 915984171 PVMZXNQQLCPTKW-WDZFZDKYSA-N 314.356 4.518 30 20 DJED O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)c1cccc(O)c1 916155561 KCBNBJVECXOEHP-CSKARUKUSA-N 308.308 4.687 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C\c1cccs1 916564410 TWZGQAZNDLUFCP-VURMDHGXSA-N 323.870 4.691 30 20 DJED CC(=NNc1oc(C)nc1C#N)c1ccc(C2CCCCC2)cc1 917554983 HZRWHMRAFOLDNI-UHFFFAOYSA-N 322.412 4.739 30 20 DJED Cc1c(C(=O)O)oc2c1C(=O)/C(=C\c1ccc(C(C)C)cc1)CC2 920065971 PJLLIZYJQYHMDA-GDNBJRDFSA-N 324.376 4.622 30 20 DJED COc1cccc(O)c1/C=N/[C@@H](C)c1ccccc1C(F)(F)F 920178007 NOAAZFINUZOCLV-JYQBEENSSA-N 323.314 4.600 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)C[C@@H]1CC[C@@H]2C[C@H]12 1125171961 FGPZATLZVPHRPW-YCPHGPKFSA-N 322.433 4.661 30 20 DJED CCc1ccc([C@H](C)CC(=O)O[C@@H](C)c2cccc(C#N)c2)cc1 1127090975 ZBDXKLHXASKTQW-CVEARBPZSA-N 321.420 4.919 30 20 DJED Cc1cc(C)c(C(=O)Nc2cc3ccccc3cc2C#N)s1 1129675396 QYMXZTUVKNEBAN-UHFFFAOYSA-N 306.390 4.642 30 20 DJED CCc1ccc([C@@H]2C[C@H](C)CCN2Cc2ccc(CC#N)cc2)o1 1167508315 GENXMFBNCRIKCR-UZLBHIALSA-N 322.452 4.881 30 20 DJED C=C(Br)CN[C@H](c1ccc(CC(C)C)cc1)C1CC1 1192585042 NUNPEPUALNRUCF-QGZVFWFLSA-N 322.290 4.834 30 20 DJED CC[C@H](CC1CCCCC1)Nc1ccc(F)cc1OCC#N 1205334624 LWOLSWUQFIVRQT-MRXNPFEDSA-N 304.409 4.889 30 20 DJED C=CCN(C(=O)c1nc(-c2ccccc2)oc1C(C)C)C(C)C 1251253638 UFNAVVBMEIEJOF-UHFFFAOYSA-N 312.413 4.502 30 20 DJED CCc1ccc([C@H](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 1345952825 TZUFAEHDECHFKX-CQSZACIVSA-N 317.392 4.517 30 20 DJED CC(C)(C)[C@@H](NC(=O)CC1(C#N)CCCCC1)c1ccccc1 1355942588 MVQWYRKJKUGTEJ-SFHVURJKSA-N 312.457 4.754 30 20 DJED N#Cc1ccc(NC(=O)CCCC2CCCC2)cc1C(F)(F)F 1361170010 BLLPPHDZRPYZGM-UHFFFAOYSA-N 324.346 4.876 30 20 DJED CC(C)c1ccc([C@H]2CCCCN2c2ccc(C#N)cn2)cc1 1458307597 DNLSRMZRKYLUAX-LJQANCHMSA-N 305.425 4.808 30 20 DJED CC(C)C[C@@H](C)CC(=O)Nc1cc(C(C)(C)C)sc1C#N 1458456658 UEWTUEORTUDOFW-GFCCVEGCSA-N 306.475 4.928 30 20 DJED CC(=O)c1ccc(OCc2ccc(Cl)cc2C#N)cc1Cl 1459284695 SVKPUEDMAHRJQW-UHFFFAOYSA-N 320.175 4.647 30 20 DJED C[C@H]1CC[C@H](c2ccccc2)N(C(=O)CC2(C#N)CCCCC2)C1 1459950848 KIOSFCGQOBHMLX-PKOBYXMFSA-N 324.468 4.850 30 20 DJED CCOc1ccc(CN(CCC#N)CC(CC)CC)c(C)c1 1461902969 XIWGWYQNKUJLOP-UHFFFAOYSA-N 302.462 4.546 30 20 DJED C[C@H]1CCC[C@@H](OCc2cccc(Nc3ccc(C#N)cn3)c2)C1 1472674456 JDGPXZNYROZZFV-HNAYVOBHSA-N 321.424 4.792 30 20 DJED Cc1ccc2ccccc2c1CN1CCCc2cc(C#N)ccc21 1473507596 DRMXLBGJUMBRSY-UHFFFAOYSA-N 312.416 4.973 30 20 DJED Cc1cccc2c(C(=O)N[C@@H](CCC#N)c3ccccc3)coc12 1519986857 VMTQBZQWIBCRPL-SFHVURJKSA-N 318.376 4.516 30 20 DJED Cc1ccccc1C1(C(=O)Nc2cccc(C#N)c2)CCCCC1 1521496033 ZNQJKKAECSYKPX-UHFFFAOYSA-N 318.420 4.707 30 20 DJED CCC(CC)NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 1522373996 JHMZKJCCYMWLAL-UHFFFAOYSA-N 322.408 4.577 30 20 DJED Cc1cocc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 1528199768 RTCXNLPMPYXXMC-UHFFFAOYSA-N 318.332 4.504 30 20 DJED CCc1c(C)sc(NC(=O)[C@H]2CCCC[C@@H]2CC)c1C#N 1529661920 LKHAIDHLACLCFK-JSGCOSHPSA-N 304.459 4.646 30 20 DJED C[C@H]1CC[C@@H](C)N(Cc2ccc(-c3ccccc3C#N)cc2)C1 1559560462 LTLRJXCJEQFDFH-DLBZAZTESA-N 304.437 4.846 30 20 DJED C[C@H](CC(C)(C)C#N)NC[C@H](C)c1ccc(C(F)(F)F)cc1 1560762730 RUGOGDHXFFTKBS-QWHCGFSZSA-N 312.379 4.727 30 20 DJED C[C@@H](NCCc1ccc(C(C)(C)C)cc1)c1cccc(C#N)c1 1561006273 NFCMUXDHKNEROB-MRXNPFEDSA-N 306.453 4.749 30 20 DJED Cc1csc(NC(=O)N(C)[C@H]2CCC[C@@H]2C(C)(C)C)c1C#N 1562766740 ONZCFEDGORHWMV-KBPBESRZSA-N 319.474 4.607 30 20 DJED COc1ccc(C#N)cc1CN(c1ccccc1)C1CCCC1 1615930804 DTDMYCSJCJQQKW-UHFFFAOYSA-N 306.409 4.516 30 20 DJED N#C[C@@H]1CCC[C@@H](N[C@H](c2ccc(F)c(Cl)c2)C2CC2)C1 1621342586 TUPXOXRMNOVGCD-ZLENFMNRSA-N 306.812 4.602 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1ccc(CC(C)C)s1 1628441360 IYXTVMPWINEYGQ-UHFFFAOYSA-N 320.502 4.739 30 20 DJED CCC[C@@H]1[C@H](C)CCCN1Cc1cc(Cl)ccc1OCC#N 1642115486 HSZXWMCLKNHZJG-RHSMWYFYSA-N 320.864 4.643 30 20 DJED Cc1ccccc1[C@@H]1CCN(c2nc(C(C)(C)C)ccc2C#N)C1 1642175488 DDSMVFCKPWNVSO-QGZVFWFLSA-N 319.452 4.553 30 20 DJED C[C@@H](NCCc1ccc(C#N)cc1)[C@H](C)c1ccc(Cl)cc1 1652811653 JFHAFIDKPKUSAI-LSDHHAIUSA-N 312.844 4.536 30 20 DJED Cc1cc(NC2CCC(C)(C#N)CC2)cc(C)c1Br 1657910361 NLTGAQZHVALAFM-UHFFFAOYSA-N 321.262 4.950 30 20 DJED CC(C)CC[C@H](NC(=O)Nc1sccc1C#N)C(C)(C)C 1678963334 SXMMKHKVRYRLPW-ZDUSSCGKSA-N 307.463 4.592 30 20 DJED N#Cc1ccccc1CSc1cccc(Br)c1 55307716 VODKGZYXYZSMTL-UHFFFAOYSA-N 304.212 4.613 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2nc(-c3ccccc3)cs2)cc1 60370809 MOGFPGCORLJLDV-ZHACJKMWSA-N 316.385 4.578 30 20 DJED Cc1ccccc1N(C(=O)c1cccc(SCC#N)c1)C(C)C 79471132 MXPWXTJFFVNXDI-UHFFFAOYSA-N 324.449 4.666 30 20 DJED C=CCOc1ccccc1CN[C@H](CC(C)C)c1ccccn1 161491186 KPOILKCGQOJJQI-LJQANCHMSA-N 310.441 4.523 30 20 DJED C#CCCCC(=O)Nc1ccccc1-c1nc2ccccc2s1 192079783 HLBHQWPFYSHFOU-UHFFFAOYSA-N 320.417 4.705 30 20 DJED N#CCOc1ccc(NCc2cc(Cl)ccc2Cl)cc1 229194128 FNJWQYLHJNEDEX-UHFFFAOYSA-N 307.180 4.508 30 20 DJED CC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(OC)cc1 271978680 YLXCTOUOAFSWRH-DJJJIMSYSA-N 312.388 4.508 30 20 DJED CC(C)(C)c1cnc(CN[C@H](CCC#N)c2ccccc2)s1 279211402 WDPSDQNWILFIRP-OAHLLOKOSA-N 313.470 4.575 30 20 DJED CC[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)c1c(C)noc1C 301804151 BAGFELLQYYTOCA-CYBMUJFWSA-N 323.318 4.745 30 20 DJED N#CCC[C@H](N[C@@H]1CCC[C@@H](c2cccnc2)C1)c1ccccc1 337364429 ASEWCHLOVJVVHW-NRSPTQNISA-N 319.452 4.742 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(Cl)c(F)c1 418151147 WSNJPEOMYXYDAF-GOSISDBHSA-N 314.791 4.518 30 20 DJED C[C@@H](CSCc1ccccc1C(C)(C)C#N)C(F)(F)F 439024470 CXXFUJQJVXYOPB-NSHDSACASA-N 301.377 4.919 30 20 DJED Cc1ccc(CN[C@H]2CC[C@@H](C#N)C2)c(Oc2ccccc2)c1 442796370 VMSQJEXLQRPRDL-AEFFLSMTSA-N 306.409 4.569 30 20 DJED CC[C@@H](N[C@H](C)c1ccc(F)cc1F)c1ccc(C#N)cc1 447511184 SFNSQUXFQFXYNM-KZULUSFZSA-N 300.352 4.638 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 468109798 RYNFPFLUIIPFDY-LJQANCHMSA-N 310.397 4.760 30 20 DJED C[C@@H](Sc1cccc(C#N)c1)C(=O)c1cccc(Cl)c1 468647930 HWSWCCRUNODJJV-LLVKDONJSA-N 301.798 4.575 30 20 DJED C=CCN(C)C(=O)Nc1cc(-c2ccccc2)ccc1Cl 471399047 RNCHHGOLULYARI-UHFFFAOYSA-N 300.789 4.657 30 20 DJED Cc1cc2cc[nH]c2cc1NC(=O)c1ccc(C(C)(C)C#N)cc1 476881245 HPFHYNQYOAZLHZ-UHFFFAOYSA-N 317.392 4.530 30 20 DJED Cc1cc(C(=O)Nc2sc(C)c(C)c2C#N)c(C)cc1Cl 483065472 AQCLAKAMTUVLPK-UHFFFAOYSA-N 318.829 4.759 30 20 DJED CCCC1CCC(N(C)C(=O)Nc2ccc(CC#N)cc2)CC1 483507175 IPGPHRSPZWUPCB-UHFFFAOYSA-N 313.445 4.575 30 20 DJED C=CC[C@H](C(=O)N(Cc1cccc(F)c1)C1CC1)c1ccccc1 487708143 LOQPRDMIQYAPSF-FQEVSTJZSA-N 323.411 4.677 30 20 DJED C=CCCCCNC(=O)Nc1cc(C(F)F)ccc1Cl 497379869 AXLHGPAIHVQOJI-UHFFFAOYSA-N 302.752 4.755 30 20 DJED Cc1cc(/C=C\c2ccncc2C#N)ccc1Oc1cccnc1 504713097 UIGUAJKYXPFJTJ-XQRVVYSFSA-N 313.360 4.619 30 20 DJED C=CCC(C)(C)C(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1 509805277 KVCPLWMUZIHZAI-UHFFFAOYSA-N 319.876 4.822 30 20 DJED CCCCc1ccc(NC(=O)N2CCC(CCC#N)CC2)cc1 518973340 PCNSEHJBERGZFM-UHFFFAOYSA-N 313.445 4.577 30 20 DJED CC(C)CCn1ncc(NCCCC(C)(C)C#N)c1C(C)C 519672011 IZNPPJJVONUYOC-UHFFFAOYSA-N 304.482 4.794 30 20 DJED CC(C)[C@@H](CC1CCCCC1)C(=O)Nc1ccc(CC#N)cc1 524489781 TVDAIVZOKMHUEM-LJQANCHMSA-N 312.457 4.934 30 20 DJED C=C(C)COc1cccc(NC(=O)N(C2CCCC2)C2CC2)c1 531075387 APHFVAULNXPGIO-UHFFFAOYSA-N 314.429 4.580 30 20 DJED C=CCN(CC=C)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 591608935 UWFDFIPYOYRSBI-QGZVFWFLSA-N 318.848 4.565 30 20 DJED C[C@@H](NCCCC#N)c1ccc(O[C@H](C)c2ccccc2)cc1 595034564 YBTIQVBICXWXEA-IAGOWNOFSA-N 308.425 4.781 30 20 DJED C=CCNc1nnc(S[C@@H](CC)c2ccc(F)cc2)s1 606148994 UGTJAJNCVZPFGI-LBPRGKRZSA-N 309.435 4.519 30 20 DJED CC(C)(C)c1csc(CCNc2ccc(C#N)c(Cl)c2)n1 609510189 AOWZCYFKFLMUSF-UHFFFAOYSA-N 319.861 4.620 30 20 DJED CCCCOc1ccc(OC)cc1N[C@H](C)c1ccc(C#N)cc1 609825100 GHJZTEHWBZGPEQ-OAHLLOKOSA-N 324.424 4.919 30 20 DJED Cc1cc(C#N)ccc1CSCc1ccc(C(F)(F)F)cn1 618116470 WCTFYUAAYKDAKR-UHFFFAOYSA-N 322.355 4.714 30 20 DJED CCC(Cc1cccs1)=NNc1nc2ccccc2s1 730945383 HHWVATLETGENRH-UHFFFAOYSA-N 301.440 4.778 30 20 DJED COc1cc(C)c(C(=O)/C=C\c2cccc(C)c2C)cc1OC 731320327 VLBHGPALNWBGMS-KTKRTIGZSA-N 310.393 4.525 30 20 DJED C=CCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)C 731400157 LKCBMAKBOOPXAL-AWEZNQCLSA-N 317.458 4.509 30 20 DJED Cn1c(-c2ccccc2)cnc1S[C@H](C#N)C1CCCCC1 734367699 LRNFXLYWEARODL-QGZVFWFLSA-N 311.454 4.652 30 20 DJED Oc1ccc2ccccc2c1/C=N\[C@@H]1CSc2ccccc21 735415253 RJYDLYOTQNGRFY-LELXDKESSA-N 305.402 4.811 30 20 DJED C=C(Cl)CNC(=O)c1ccccc1SCc1cccs1 736245169 KMWLHEBCJBTERS-UHFFFAOYSA-N 323.870 4.523 30 20 DJED CCCCCCCCOCC(=O)N1C[C@@H](C)[C@H]1c1ccccc1 742897147 GHKMMSDXHFVAFD-XLIONFOSSA-N 317.473 4.583 30 20 DJED COc1cccc(C=Nc2ccc(OCCC(C)C)cc2)c1O 745976658 MOILNICWYSFBTE-UHFFFAOYSA-N 313.397 4.576 30 20 DJED CC1(C)C(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)C1(C)C 747106423 SOMDSBVAUATBJB-CYBMUJFWSA-N 324.449 4.669 30 20 DJED CC[C@@H](C)c1ccc(C(=O)N(CCC#N)c2ccc(F)cc2)cc1 755341075 CPXAFTODRYGOHV-OAHLLOKOSA-N 324.399 4.900 30 20 DJED FC(F)(F)c1ccccc1ON=C[C@@H]1CCc2ccccc21 755815563 IWDBZVAVZCAHIY-ZDUSSCGKSA-N 305.299 4.800 30 20 DJED C#CC[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1ccccc1 756776883 ULWFBYJONUHGSS-KKSFZXQISA-N 319.448 4.686 30 20 DJED CC(C)(C#N)CCCCOC(=O)c1cncc(-c2ccccc2)c1 768746372 QWAJCYSTROWHFR-UHFFFAOYSA-N 322.408 4.625 30 20 DJED O=C(/C=C\c1ccc(-c2ccccc2F)s1)c1ccncc1 776188491 TYCZQKFGSGIDIL-ALCCZGGFSA-N 309.365 4.845 30 20 DJED C#Cc1cccc(N(Cc2ccco2)C(=O)C[C@H]2C=CCCC2)c1 777640625 QILOGOBIEXPJLF-SFHVURJKSA-N 319.404 4.541 30 20 DJED Cc1[nH]c2ccccc2c1C(=O)/C=C\c1scnc1C1CC1 782321470 BBHBTTWIIWJHSX-HJWRWDBZSA-N 308.406 4.706 30 20 DJED C(CCc1ccc(-c2ccccc2)cc1)=NOCc1cccnc1 794924717 ZSZBWPFNBZJUOW-UHFFFAOYSA-N 316.404 4.884 30 20 DJED CC(=NNc1ncnc(Cl)c1C(C)C)c1ccccc1Cl 797404616 QXVMIWYGTZZZFJ-UHFFFAOYSA-N 323.227 4.743 30 20 DJED COc1cccc(O)c1C=Nc1cccc(-c2csc(C)n2)c1 812396462 TXKKUGBFRNLDES-UHFFFAOYSA-N 324.405 4.583 30 20 DJED C=C1CCC(C(=O)Nc2cc(-c3nc(C)co3)ccc2C)CC1 889502407 LLJNKJMHDDHOTJ-UHFFFAOYSA-N 310.397 4.643 30 20 DJED N#C[C@H]1CC[C@H](N[C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)C1 927063711 DBBGHQIFBQGSPZ-OQKHSGFDSA-N 318.420 4.533 30 20 DJED CC[C@H]1CCC[C@H]1NC(=O)c1ccccc1-c1ccccc1C#N 1127157367 TXPCAEWIFQHPHS-MGPUTAFESA-N 318.420 4.534 30 20 DJED CC(C)c1cccc2c1CCN(Cc1ccc(Cl)cc1C#N)C2 1194042478 UNRWAQNIHJTIOQ-UHFFFAOYSA-N 324.855 4.893 30 20 DJED CCC(CC)(CC)CNC(=O)Nc1ccc(C#N)c(Cl)c1 1214367991 OADFSRMDTQXTLA-UHFFFAOYSA-N 307.825 4.550 30 20 DJED C[C@@H]1CCCC[C@H]1CNc1c(Br)cccc1C#N 1306951078 SNXJSYAVDYTLLM-YPMHNXCESA-N 307.235 4.559 30 20 DJED N#Cc1cccc(Sc2c(C#N)cnc3c(Cl)cccc23)c1 1306991601 CMZLGAVOAHHLMC-UHFFFAOYSA-N 321.792 4.783 30 20 DJED C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1360912670 YJMUZCHDVSJQAD-NEPJUHHUSA-N 324.346 4.732 30 20 DJED CC[C@@H]1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1OC(C)C 1434887711 PAGNVRJJUXEVPQ-HZPDHXFCSA-N 314.429 4.500 30 20 DJED N#Cc1cc(N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)ccn1 1458113426 MSILWHQGGFHSHJ-MRXNPFEDSA-N 318.207 4.602 30 20 DJED C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)CC[C@H]1c1ccccc1 1459670451 TYAWKWAYKILPDY-DNVCBOLYSA-N 324.855 4.837 30 20 DJED C[C@H](OC(=O)[C@]1(C#N)CC12CCCC2)c1cc(Cl)ccc1F 1521004760 QHSPGNKEHFSTKY-APPDUMDISA-N 321.779 4.557 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)Nc1cccc(CC#N)c1 1525933999 NXNBCYDAVHHMCO-DOTOQJQBSA-N 318.420 4.681 30 20 DJED C[C@@H](OC(=O)[C@H]1CCC[C@@H]1c1ccccc1)c1cccc(C#N)c1 1534857462 QMWFVTJRMHCJKY-YSGRDPCXSA-N 319.404 4.746 30 20 DJED Cc1c(C#N)cccc1NC(=O)N1CCCCC[C@H]1CC(C)C 1562483731 JATDEOYDNIZFCE-KRWDZBQOSA-N 313.445 4.689 30 20 DJED CCC(C)(C)c1ccc(C(=O)Nc2nc(C)cc(C)c2C#N)cc1 1585962032 LQMYDTYIJZPEQE-UHFFFAOYSA-N 321.424 4.510 30 20 DJED CCC[C@@H]1CCC[C@H]1C(=O)N(c1cccc(C#N)c1)C1CCC1 1587314068 HWMHDVVQRKHXHT-VQIMIIECSA-N 310.441 4.660 30 20 DJED C[C@@H]1C[C@@H](OC(=O)c2ccc(Cl)c(C#N)c2)CC(C)(C)C1 1623443084 UWDQLBCFKMBGOE-BXUZGUMPSA-N 305.805 4.583 30 20 DJED Cc1ccc([C@@H]2CCCCCN2Cc2cccc(F)c2C#N)o1 1651825801 KQAZURSKBGLDJD-SFHVURJKSA-N 312.388 4.716 30 20 DJED CCOc1ccc(C#N)cc1N[C@@H](C)C1CCC(F)(F)CC1 1652158521 HJDNVRJISHHULC-LBPRGKRZSA-N 308.372 4.583 30 20 DJED CCc1ccc([C@H]2CCN([C@H](C)c3cccc(C#N)c3)C2)cc1 1653736212 PCRQFXHLKUTYGH-IERDGZPVSA-N 304.437 4.671 30 20 DJED C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1Cc1ccc(Cl)cc1C#N 1654572071 CUTHWWOUODJFQX-STXHMFSFSA-N 324.855 4.978 30 20 DJED CC(CCCCCCC(=O)O)=NNc1ccc(F)cc1Cl 1776106352 BCXVDAFPHOEKTD-UHFFFAOYSA-N 314.788 4.692 30 20 DJED N#Cc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 14176130 XXUBWEWDGASITH-QPJJXVBHSA-N 302.160 4.761 30 20 DJED C[C@H](c1ccc(Cl)cc1)N(C(=O)c1cccc(C#N)c1)C1CC1 45397385 CNRWSIMXPXLTBI-CYBMUJFWSA-N 324.811 4.577 30 20 DJED N#Cc1ccc(-c2csc(Cc3cccc(Cl)c3)n2)cc1 57359191 SHLKJZZINBAFER-UHFFFAOYSA-N 310.809 4.926 30 20 DJED C[C@H](N[C@H]1CCc2sc(Cl)cc21)c1ccc(C#N)cc1 123279046 XLEJQNCYCIATFT-HZMBPMFUSA-N 302.830 4.611 30 20 DJED C[C@H](NCc1ccc(F)c(C#N)c1)c1cccc(C(F)(F)F)c1 136221645 JVAFCZFVGYXSKL-NSHDSACASA-N 322.305 4.567 30 20 DJED O=C1/C(=C\c2cnc(-c3cccs3)s2)Cc2ccccc21 177609336 AZTBNHCCWYETHB-XFXZXTDPSA-N 309.415 4.694 30 20 DJED C[C@@H](CCC(=O)[C@@H](C#N)c1nc2ccccc2o1)c1ccccc1 178958239 PUTIDXSJYFRQOP-GOEBONIOSA-N 318.376 4.588 30 20 DJED C[C@H](N[C@@H](C)c1cccc(N2CCCC2)c1)c1cccc(C#N)c1 181886176 UMQJNMCKKDZVGQ-IRXDYDNUSA-N 319.452 4.570 30 20 DJED C=CC[C@@H](C(=O)Nc1cccc(COCC)c1)c1ccccc1 187428475 OXAIJTCAWWSFJV-LJQANCHMSA-N 309.409 4.522 30 20 DJED CCCCOc1ccc(/C=C2/Cc3ccccc3C2=O)cc1OC 204069905 XDMUCTPPZREVSJ-ATVHPVEESA-N 322.404 4.697 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccc(-c3ccccc3F)o2)cc1 208391807 UQEKBARHOPPLDX-LUAWRHEFSA-N 317.319 4.853 30 20 DJED COc1ccc(/C=C\C(=O)c2cccc(C)c2)cc1OC(F)F 212923728 XPVMLNNMMMWVGK-VURMDHGXSA-N 318.319 4.501 30 20 DJED C=C(Br)CN[C@@H](C)c1cccc(Cl)c1Cl 235505859 JOKJGZMFOAPCHD-QMMMGPOBSA-N 309.034 4.553 30 20 DJED Cc1cccc(C)c1NC(=O)CCCSCCC(C)(C)C#N 276665918 YAHUIPIFCKKYPK-UHFFFAOYSA-N 318.486 4.695 30 20 DJED C=CCC[C@@H](CCC)Nc1cccc(NC(=O)N(C)C)c1C 279667080 MSRHSXRGCULISX-OAHLLOKOSA-N 303.450 4.635 30 20 DJED CCOc1ccccc1CNc1ccc(C#N)c(C(F)(F)F)c1 322002524 HCQGDWGWAVBLCN-UHFFFAOYSA-N 320.314 4.588 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1cc(C(C)C)oc1C 349479700 YZAHENHXJQGUON-UHFFFAOYSA-N 303.427 4.601 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CC[C@H](F)C1 351528356 CFBULDMNOPETBQ-LSDHHAIUSA-N 304.409 4.551 30 20 DJED C=CCOc1ccc(CN[C@H](C)c2ccc(SC)cc2)cc1 378887502 JCZFCPIEFRRRPU-OAHLLOKOSA-N 313.466 4.824 30 20 DJED C=CCC[C@@H](NC(=O)[C@H]1Cc2ccccc2S1)c1ccccc1 435280361 SKYTWXBNLRLMFH-IEBWSBKVSA-N 323.461 4.527 30 20 DJED C=C[C@H]1CCCCN1C(=O)c1cc(C(C)C)nc2ccccc12 448388168 PCHDPFVCEPTRTP-HNNXBMFYSA-N 308.425 4.539 30 20 DJED CCCCN(CCCC)C(=O)Nc1ccc(CC#N)cc1Cl 455761350 ZLANERSMWAWBMF-UHFFFAOYSA-N 321.852 4.840 30 20 DJED CC#CCCCC(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C 466440271 FQVMNZDDMPHNAC-GFCCVEGCSA-N 324.251 4.633 30 20 DJED C=CCC(CC=C)C(=O)N1CCC(CCc2ccccc2)CC1 467746033 ZQLSUZPRKWWOHM-UHFFFAOYSA-N 311.469 4.626 30 20 DJED C=CCOCCCSCc1nc(-c2ccccc2)cs1 479589362 LMAURTSJVLYREI-UHFFFAOYSA-N 305.468 4.636 30 20 DJED Cc1cc(CN[C@H](C)c2cccc3ccccc23)ccc1C#N 488113322 JCHKJNHBPNZERE-MRXNPFEDSA-N 300.405 4.871 30 20 DJED CC1(C)CCC(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 494893884 XSBGIYWZWUOKJN-RTBURBONSA-N 324.468 4.501 30 20 DJED N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cc(Cl)cs1 494942458 XLJKYAKGPJRKQL-DLBZAZTESA-N 316.857 4.673 30 20 DJED COc1cc2nc(C)sc2cc1N[C@@H](C)c1ccc(C#N)cc1 522841007 HHLUOXUGGQTTTG-NSHDSACASA-N 323.421 4.658 30 20 DJED N#Cc1ccccc1NC(=O)c1cccc(OC2CCCCC2)c1 524249586 RCZPQIZAQGYAMJ-UHFFFAOYSA-N 320.392 4.522 30 20 DJED C=CCCCCCN(C)C(=O)c1cnn([C@@H](C)CC)c1C1CC1 535531007 WYMLLDFWGVNNAG-HNNXBMFYSA-N 317.477 4.550 30 20 DJED C=CCC[C@@H](N[C@@H]1CCc2c(OC)cccc21)c1ccccc1 537950191 MAQMSDFKNSDCKL-WOJBJXKFSA-N 307.437 4.980 30 20 DJED C=C(CC)CN(CCC)Cc1nnc(-c2ccccc2Cl)o1 538016756 JWGLSFZVALFVCR-UHFFFAOYSA-N 319.836 4.568 30 20 DJED CC(C)[C@@H](NCc1ccc(CC#N)cc1)c1ccccc1Cl 543183198 IDLRLJKNAAHYMB-LJQANCHMSA-N 312.844 4.893 30 20 DJED CCCCN(C(=O)c1ccc(Cl)c(C#N)c1)C1CCCCC1 571066552 BSPVFBLEPIHMMR-UHFFFAOYSA-N 318.848 4.787 30 20 DJED C=CCC1(c2nc(Cc3nccc4ccccc34)no2)CCCC1 581649296 SPTOTPOWSVJPIF-UHFFFAOYSA-N 319.408 4.597 30 20 DJED C=C(C)CN(CC)C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 607779813 WHMUJLDCMFWBBL-GJZGRUSLSA-N 312.240 4.522 30 20 DJED CC(C)c1ccc(C(C)(C)NC(=O)c2cccc(CC#N)c2)cc1 609188898 DCDSKRFSQHPOAX-UHFFFAOYSA-N 320.436 4.541 30 20 DJED Cc1cc(C)c([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1C 618805327 NQBIAMWETCXVOE-KKSFZXQISA-N 304.437 4.822 30 20 DJED C=C(C)[C@H](N[C@H]1CCCc2cccnc21)c1ccc(F)c(F)c1 684962768 XMRPHTFAFGVQIG-ROUUACIJSA-N 314.379 4.644 30 20 DJED C#Cc1cccc(NC(=S)Nc2cccc(OCCCC)c2)c1 726477377 XDVUHEZNZSJXOF-UHFFFAOYSA-N 324.449 4.656 30 20 DJED C=CCN(C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1)C(C)C 729054527 YDXCWRTWVLPTJU-HNNXBMFYSA-N 320.502 4.854 30 20 DJED CCc1ccc(C(=O)/C=C\c2cnc(C(C)(C)C)s2)s1 736433646 YNDDXTFZFISRBS-VURMDHGXSA-N 305.468 4.961 30 20 DJED CCC(Cc1cccs1)=NNc1cccc(C(F)(F)F)n1 739421410 IOLGWRYIRVXXPU-UHFFFAOYSA-N 313.348 4.583 30 20 DJED CC(C)Sc1ccc(C(=O)/C=C/c2cnc3ccccn23)cc1 740765683 NNUVTSZIKSLEDH-DHZHZOJOSA-N 322.433 4.731 30 20 DJED CC[C@H](C)Oc1cc(/C=C/C(=O)c2cccs2)ccc1OC 749453445 TYNLEGJHYWAHBI-XOVSCCBYSA-N 316.422 4.830 30 20 DJED O=C(/C=C/c1nc(Cl)cs1)c1ccc(Cl)cc1Cl 759074414 VYMOIFUMYPGCBO-ONEGZZNKSA-N 318.612 4.999 30 20 DJED CCn1nc(/C=C\C(=O)c2coc3ccccc23)c2ccccc21 769747294 ZNUUKTROFKFOML-QXMHVHEDSA-N 316.360 4.699 30 20 DJED C#CC[C@@H](N[C@H](C)c1ccc(OC(C)C)cc1)c1ccccc1 773105453 HIABAPAVZSTFTI-DYESRHJHSA-N 307.437 4.889 30 20 DJED Cc1cc(C)c2c(c1)C(=O)/C(=C/c1ccc3cnccc3c1)CO2 782329407 MOZUWLYQOZFWMD-VCHYOVAHSA-N 315.372 4.510 30 20 DJED CCOc1c(Cl)cccc1/C=C/C(=O)c1ccc(Cl)nc1 782348564 SKISAWVCLOYPEL-SOFGYWHQSA-N 322.191 4.683 30 20 DJED C#CCCCCCC(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 782518334 CYEFVRKZNMGQIQ-UHFFFAOYSA-N 323.383 4.664 30 20 DJED CC(C)c1c(Cl)ncnc1NN=Cc1ccccc1C1CC1 797404031 FOPQLQSULUYIOH-UHFFFAOYSA-N 314.820 4.577 30 20 DJED Cc1nn(C)c2sc(C(=O)/C=C/c3cc(Cl)cs3)cc12 806576878 IZCOSPPQTRTZHP-ONEGZZNKSA-N 322.842 4.554 30 20 DJED c1ccc([C@H]2CCC(=NNc3cccc4cnccc34)C2)cc1 814836619 VXDFZEGNBTXYNW-INIZCTEOSA-N 301.393 4.970 30 20 DJED CC(=NNc1cc(Cl)cc(Cl)c1)c1cc(N)ccc1F 814913314 OIXSBURDFFWPRY-UHFFFAOYSA-N 312.175 4.551 30 20 DJED N#C[C@@H](CCc1ccccc1)c1nc(-c2ccccc2Cl)no1 904568220 DDBFKGMCGZMHFZ-CQSZACIVSA-N 323.783 4.630 30 20 DJED C#CCCCCCc1nc(-c2ccsc2C(F)(F)F)no1 904923995 ZKOHGGYEXYMJLW-UHFFFAOYSA-N 314.332 4.553 30 20 DJED Cc1cc(/C=C/C(=O)c2ccccc2)cc(C)c1OC(F)F 916134267 CYERZKGXWPHHRG-CMDGGOBGSA-N 302.320 4.801 30 20 DJED CCC(C)(C)c1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1 1128724957 KVFSJGYGFIFDRL-HXUWFJFHSA-N 310.441 4.787 30 20 DJED N#C[C@H](SCc1cccc(OC(F)F)c1)C1CCCCC1 1165736049 SWDAKRDTXKXEBN-HNNXBMFYSA-N 311.397 4.994 30 20 DJED CN(CCC1(C#N)CCCCC1)Cc1ccc(Cl)c(F)c1 1168918149 FZHQYDFVAYKNKI-UHFFFAOYSA-N 308.828 4.775 30 20 DJED CCCCN(Cc1ccc(OCC#N)cc1)[C@@H]1CCC[C@@H](C)C1 1170683623 RHVRYCYKXNLNKL-IEBWSBKVSA-N 314.473 4.770 30 20 DJED C[C@@H](OC(=O)c1ccc(OC(C)(C)C)cc1)c1cccc(C#N)c1 1266018786 JXMMMHDZYBUOTL-CQSZACIVSA-N 323.392 4.654 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)c2cc3cc(Cl)ccc3s2)C1 1275465051 RKZWRVVGLKCTFV-MFKMUULPSA-N 319.813 4.794 30 20 DJED CCCC[C@H](NCc1ccc(C#N)cc1OC(F)F)C1CCC1 1307667738 OBFXTJMVOMHEQA-INIZCTEOSA-N 322.399 4.608 30 20 DJED Cc1coc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1C 1325287155 ORXFIDVIJFUUNY-LBPRGKRZSA-N 314.410 4.543 30 20 DJED Cc1sc(NC(=O)c2coc3c(C)cccc23)c(C#N)c1C 1348418983 OGRFKXQEVOIIGM-UHFFFAOYSA-N 310.378 4.544 30 20 DJED N#Cc1ccc(C(=O)O[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1Cl 1350150438 WHPBHEGZUXHSLR-HEHGZKQESA-N 317.816 4.727 30 20 DJED CC(C)c1ccc(/C=C\CC(=O)Nc2ccc(C#N)cc2)cc1 1355066314 MEHCHMLNVHLLQK-ARJAWSKDSA-N 304.393 4.724 30 20 DJED C=C(Br)CN(C1CC1)[C@@H](C)c1ccc(Cl)cc1 1459679085 XDDLFBDSWYIBDT-NSHDSACASA-N 314.654 4.774 30 20 DJED Cc1c(C#N)cccc1C(=O)N(C)C1CCC(C(C)(C)C)CC1 1524857076 BPXSZBNAAGIEGW-UHFFFAOYSA-N 312.457 4.544 30 20 DJED CCC(C)(C)c1ccc(COC(=O)c2cc(C#N)ccc2C)cc1 1535000828 MZHJGQKXRPISGR-UHFFFAOYSA-N 321.420 4.911 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)NC1(c2cccc(C#N)c2)CC1 1544451089 BTAYKJVJUPGPDV-GOSISDBHSA-N 324.468 4.660 30 20 DJED C=C(CNC(=O)N1CCCC[C@H]1c1ccccc1)c1ccccc1 1564881868 FFPZOHLUUAIJGZ-FQEVSTJZSA-N 320.436 4.637 30 20 DJED C=C(Cl)Cn1c(C(C)C)nnc1N(CC(C)C)C1CCCC1 1593807440 KPQTXUOOOZOSIS-UHFFFAOYSA-N 324.900 4.559 30 20 DJED C[C@H](C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1ccc2ccccc2c1 1596977857 JCNQQWKEOQAYGX-QMTMVMCOSA-N 307.393 4.569 30 20 DJED CC(C)N(CCCc1cccc(F)c1)Cc1ccc(C#N)cc1 1641628712 NXIKWYZEIQQSPJ-UHFFFAOYSA-N 310.416 4.541 30 20 DJED N#Cc1cccnc1N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 1651939848 QUGXLYRBYPWNDT-PBHICJAKSA-N 311.816 4.745 30 20 DJED C=CCN(Cc1cccs1)C(=O)CCc1ccc(Cl)cc1 53665149 OAQUQTRVONFGQB-UHFFFAOYSA-N 319.857 4.549 30 20 DJED C[C@H](Nc1ccc(F)c(Br)c1)c1ccc(C#N)cc1 135377231 XQAPXWIIDZYGRK-JTQLQIEISA-N 319.177 4.633 30 20 DJED C=CCC[C@@H](NC(=O)N[C@@H](CC)c1ccncc1)c1ccccc1 160374424 GRQFDKCTVPPINN-RBUKOAKNSA-N 323.440 4.539 30 20 DJED C=CCCCCCN(C)C(=O)Nc1c(C)cccc1SC 185028562 ILUWTOMHRNXRJI-UHFFFAOYSA-N 306.475 4.927 30 20 DJED C[C@@H](Sc1cccc(C#N)n1)c1ccc(OC(F)(F)F)cc1 301809307 AYKHPPHOUJXHBQ-SNVBAGLBSA-N 324.327 4.705 30 20 DJED Cc1ccc(CN(Cc2cn3ccccc3c2C#N)C(C)C)s1 302975812 HBHBSAIPDHQEBJ-UHFFFAOYSA-N 323.465 4.592 30 20 DJED O/C(=N/[C@@H]1CCCC[C@H]1Cc1ccccc1)c1ncoc1C1CC1 328799905 HRHZSYCJWIZKJD-DLBZAZTESA-N 324.424 4.658 30 20 DJED Cc1cc(N=C(O)c2scc(C)c2Cl)nc(C(C)C)n1 331120074 LVUTVUFKHJATIK-UHFFFAOYSA-N 309.822 4.568 30 20 DJED CCC[C@@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)c1ccccc1 425641169 UZPOYLVIMMMYHO-OXJNMPFZSA-N 320.436 4.662 30 20 DJED N#CCSCCCN1CC2(CCCCC2)[C@H]1c1ccccc1 459750466 PTSBBWLWMKOPJF-GOSISDBHSA-N 314.498 4.641 30 20 DJED C[C@@H](Nc1nc2c(cc1C#N)CCC2)c1cc2cccc(F)c2o1 473905512 XQCKJKAQXJQJOL-LLVKDONJSA-N 321.355 4.500 30 20 DJED C=CCN(CCc1ccccc1)C(=O)c1ccc2ccccc2c1 499298122 ABMLEQJEGCHNOP-UHFFFAOYSA-N 315.416 4.711 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1cc(SC)ccc1C 504002078 ARKVVXVIUISOII-UHFFFAOYSA-N 317.479 4.607 30 20 DJED C=CC1CCN(C(=O)c2ccc3c(c2)oc2ccccc23)CC1 511624824 DNTWMSZBVJWSRD-UHFFFAOYSA-N 305.377 4.624 30 20 DJED CCC[C@@H](C#N)NC(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F 521917659 QLNQGNOXCAKACY-KRWDZBQOSA-N 324.399 4.532 30 20 DJED C=CCCCCCN(C)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl 523575519 XIFVUYFINILAMD-ZIAGYGMSSA-N 323.839 4.787 30 20 DJED C=C[C@@H](CC(=O)N(CC)c1ccc(F)c(F)c1)c1ccccc1 534757514 GSLXTVCUNSOVMZ-AWEZNQCLSA-N 315.363 4.678 30 20 DJED C=CCCC[C@H](C)NC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 539388034 HUEOENLKAFGKSV-STQMWFEESA-N 323.506 4.546 30 20 DJED C=CCCC[C@H](C)NC(=O)N1CCC[C@H]1c1ccccc1C 539390051 JQEJDQLQJCETLX-WMZOPIPTSA-N 300.446 4.586 30 20 DJED N#CC1(CSc2nc(-c3cccs3)nc3ccccc23)CC1 540860734 HWAPWNPMUXSAQN-UHFFFAOYSA-N 323.446 4.754 30 20 DJED C[C@@H]1CCC[C@@H](c2noc(CSc3ccc(C#N)cc3)n2)C1 544228530 GKLITPMHDBNTBL-TZMCWYRMSA-N 313.426 4.527 30 20 DJED C[C@](C#N)(NC(=O)c1cc(F)c2ccccc2c1)C1CCCCC1 573630360 SCFPMSZUJNRWRA-HXUWFJFHSA-N 324.399 4.571 30 20 DJED C=CCC(C)(C)c1noc(-c2c(-c3ccccc3)noc2C)n1 582681318 XKKVHVPKNZPOSN-UHFFFAOYSA-N 309.369 4.554 30 20 DJED CC[C@@H]1CN(C(=O)CCCCCC#N)CC[C@H]1c1ccccc1 588160332 FGUOEPACGKLVEL-IEBWSBKVSA-N 312.457 4.503 30 20 DJED CCSc1ccc(Cl)cc1NCc1ccc(C#N)cc1 609221063 NASRGDCQWFQQNW-UHFFFAOYSA-N 302.830 4.936 30 20 DJED CSc1ccccc1C[C@H](C)N[C@@H](C)c1cccc(C#N)c1 611966957 HZHJGLCNMDWZEM-GJZGRUSLSA-N 310.466 4.562 30 20 DJED COc1ccc(/C=C\C(=O)c2cccc(Cl)c2)cc1Cl 741467821 CVJPMMSPXSAMGT-ALCCZGGFSA-N 307.176 4.898 30 20 DJED C=CCN(Cc1ccc(OC)cc1)C(=O)C1CCCCCCC1 741544046 PNKQWTINPWTOQR-UHFFFAOYSA-N 315.457 4.570 30 20 DJED COc1cc(/C=C\C(=O)c2ccc(F)c(F)c2)ccc1SC 746342234 OTLACYCFMHLOMD-CLTKARDFSA-N 320.360 4.591 30 20 DJED CCCCCC[C@H](C)C(=O)N[C@@H](CCC#N)c1ccccc1 749035750 ROSCJKGJUFPBSG-WMZOPIPTSA-N 300.446 4.754 30 20 DJED C[C@@H]1C[C@@H](N[C@@H](CCC#N)c2ccccc2)c2c(O)ccc(F)c21 756767964 HLCKTSLFAVTNRK-XOKHGSTOSA-N 324.399 4.714 30 20 DJED C#CC[C@H](NCc1ccc(C(F)(F)F)s1)c1ccccc1 758418002 WZHNNSXLKSUBJO-AWEZNQCLSA-N 309.356 4.621 30 20 DJED O=C1/C(=C\c2cccnc2Cl)CCc2ccc(Cl)cc21 761206595 PSNWVPURAKLRFV-FLIBITNWSA-N 304.176 4.601 30 20 DJED O=C(/C=C\c1cccc2nccn12)c1cc(Cl)ccc1Cl 769603017 VBBLUOUQNNMGSE-ALCCZGGFSA-N 317.175 4.537 30 20 DJED Cc1ccc(C(=O)N(c2ccccc2F)C2CCCC2)cc1C#N 799341881 DVDBZRYMXNSKTN-UHFFFAOYSA-N 322.383 4.595 30 20 DJED N#Cc1sc(NCCc2csc3ccccc23)nc1Cl 804356748 PNTLSTAQAPKRFC-UHFFFAOYSA-N 319.842 4.537 30 20 DJED O=C(/C=C/c1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1F 821008968 VKOQLXUWYDPOGQ-UXBLZVDNSA-N 321.307 4.783 30 20 DJED CCOc1cccc(/C=C/C(=O)c2ccccc2OC(F)F)c1 915982649 SQBZCEGVIGXZKS-ZHACJKMWSA-N 318.319 4.583 30 20 DJED COc1cccc2cc(C(C)=NNc3ccc(F)cc3F)oc12 916248133 NLRYVSSNIGXNBE-UHFFFAOYSA-N 316.307 4.556 30 20 DJED CCCc1ccc(C(=O)/C=C\c2csc([N+](=O)[O-])c2)cc1 917142691 MYGNKSGLXZXTNE-TWGQIWQCSA-N 301.367 4.505 30 20 DJED Cc1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c(Cl)c1Cl 1129724568 IOIQYZAWODYGIC-WDEREUQCSA-N 312.196 4.541 30 20 DJED CC(C)C[C@]1(C)CCCN1c1ccc(C#N)c(Br)c1 1163390437 MLBAZHVQPSRFEV-INIZCTEOSA-N 321.262 4.726 30 20 DJED Cc1ccc([C@@H]2[C@H](C)CCCN2Cc2ccc(C#N)s2)cc1 1167478831 ZBRKKOGCULULOZ-BEFAXECRSA-N 310.466 4.901 30 20 DJED Cc1cc(CNc2ccc(-c3ccccc3)c(C)n2)ccc1C#N 1178831138 IRFGKYLFNKFBSO-UHFFFAOYSA-N 313.404 4.849 30 20 DJED Cc1cc(C#N)cc(NC(=O)N(C)C[C@H](C)C2CCCCC2)c1 1219115233 GETACGVMFPWLOL-HNNXBMFYSA-N 313.445 4.547 30 20 DJED CC(C)[C@H](Cc1ccccc1)c1nnc(-c2cccc(C#N)c2)o1 1328429340 LTVWJHYCDOMTPA-SFHVURJKSA-N 317.392 4.591 30 20 DJED CC[C@H](OC(=O)c1cccc(CC#N)c1)C(C)(C)c1ccccc1 1360825516 KYFODRWETZJSIU-IBGZPJMESA-N 321.420 4.666 30 20 DJED CC(C)(C#N)CCN(Cc1c(Cl)cccc1Cl)C1CC1 1460069411 ZCRFFPLASITJDS-UHFFFAOYSA-N 311.256 4.898 30 20 DJED COc1ccc([C@@H](NCCC2(C#N)CCCCC2)C(C)C)cc1 1473337525 BRHHBDDPRUUXHY-IBGZPJMESA-N 314.473 4.846 30 20 DJED N#Cc1ccc(CNCc2ccc(-c3cccs3)cc2)cc1F 1474579442 FPDIHBMWDMEZTO-UHFFFAOYSA-N 322.408 4.716 30 20 DJED CC(C)[C@H](C(=O)Nc1cccc(C#N)c1)c1cccc(Cl)c1 1521495891 XIHRVOBVIYDNPP-KRWDZBQOSA-N 312.800 4.590 30 20 DJED CC(C)Cc1cccc([C@H](C)C(=O)O[C@@H]2CCC[C@H](C#N)C2)c1 1525049772 YEJQMEGHYVPCJY-VDZJLULYSA-N 313.441 4.614 30 20 DJED Cc1ccc(F)cc1[C@@H](C)OC(=O)c1ccc(Cl)c(C#N)c1 1527684812 VCTGICXANLMMER-LLVKDONJSA-N 317.747 4.577 30 20 DJED C[C@@H](C(=O)Nc1ccc(Cl)cc1C#N)c1cccc(Cl)c1 1532393264 ZXCRSNRTDVMAKH-SNVBAGLBSA-N 319.191 4.607 30 20 DJED Cc1cccc(-c2nsc(Sc3ccc(C#N)cc3)n2)c1 1611842714 QCGHWXOECRNXPY-UHFFFAOYSA-N 309.419 4.536 30 20 DJED Cc1nc(N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)ccc1C#N 1612500902 WKDSCDYLCFZAKD-WMLDXEAASA-N 311.816 4.663 30 20 DJED C=C(Br)CN(C1CC1)C1CC(c2ccccc2C)C1 1641917937 LLHLIHOXIFOIBX-UHFFFAOYSA-N 320.274 4.614 30 20 DJED CCOc1ccc(CN(Cc2ccc(C#N)cc2C)C(C)C)cc1 1652390384 WCSUKIXNFYRCKA-UHFFFAOYSA-N 322.452 4.676 30 20 DJED N#Cc1cccc(CN2CCc3c(-c4ccccc4)cccc32)c1 1653187103 FXAYEPHOCHNJQI-UHFFFAOYSA-N 310.400 4.788 30 20 DJED C[C@@H]1CCCc2ccccc2[C@@H]1Nc1ncc(C#N)cc1Cl 1655353736 CRLLHAOUDZJCPZ-SJKOYZFVSA-N 311.816 4.732 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1cc2ccncc2s1 1656390754 JWJOEQOWGDHTDU-UHFFFAOYSA-N 323.421 4.567 30 20 DJED CCC[C@H](CCc1ccccc1)N[C@H]1CCc2cc(C#N)ccc21 1659091464 IEVFPSGYNUBDQP-IRLDBZIGSA-N 318.464 4.937 30 20 DJED CC1(C)CCC[C@H](CN2CCC(c3ccc(C#N)cc3)CC2)C1 1660792441 HPKVMSPWUUGIPS-SFHVURJKSA-N 310.485 4.954 30 20 DJED N#C[C@@H]1CCC[C@@H](Nc2cccc(OCc3ccccc3)c2)C1 1665391937 MCRPMZFXNCZYAI-QZTJIDSGSA-N 306.409 4.760 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1ccc(C)c(C)c1 1776784337 WNTNXRBDTYVOGP-GOSISDBHSA-N 305.462 4.597 30 20 DJED CCCCCCCCCCCN(C)c1ccnc(C(=O)O)c1 1776787861 YTYLLNLNQYXTEJ-UHFFFAOYSA-N 306.450 4.747 30 20 DJED Cc1c(Cl)cccc1Nc1nnc(SCCCC#N)s1 27817179 JGGGCKOVPJDMFX-UHFFFAOYSA-N 324.862 4.639 30 20 DJED C[C@@H](Sc1cc(C#N)ccn1)c1ccc(C(F)(F)F)cc1 78480897 IXONPNXRMYEQPU-SNVBAGLBSA-N 308.328 4.825 30 20 DJED CCN(C(=O)c1cc2ccccc2o1)c1ccc(C#N)c(Cl)c1 156535875 QYWCHKVYQKSZBQ-UHFFFAOYSA-N 324.767 4.625 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(Cl)c(F)c2)n1 162462841 JTNSNUNKZDCEBY-JTQLQIEISA-N 322.792 4.549 30 20 DJED Cc1ccccc1[C@@H](C)CC(=O)[C@@H](C#N)c1nc2ccccc2o1 172210007 YRTSKWSURFAYRO-GOEBONIOSA-N 318.376 4.506 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)s1 176399452 AWMWFFVLZAAFGO-VOTSOKGWSA-N 307.296 4.535 30 20 DJED CC(C)c1ccc(/C=C\C(=O)c2ccc(OCC#N)cc2)cc1 213640517 MYJRSYKHLPEXFS-XGICHPGQSA-N 305.377 4.608 30 20 DJED O=C(/C=C/c1ccc(Cl)nc1)c1ccc(Cl)c(Cl)c1 217021215 GEWVFSPSEBDAME-ORCRQEGFSA-N 312.583 4.938 30 20 DJED CC(C)(C#N)CCCCN(Cc1ccco1)Cc1ccco1 278229260 VCGZWJIYQWHMKI-UHFFFAOYSA-N 300.402 4.595 30 20 DJED C[C@@H](N[C@H]1CCCc2c1[nH]c1ccccc21)c1ccc(C#N)cc1 289160167 GYBGKYVXPKCKIH-VLIAUNLRSA-N 315.420 4.768 30 20 DJED CC(C)Oc1ccc([C@H](C)Nc2ccc(Cl)c(C#N)n2)cc1 301188958 XKARILLWWAEWDD-LBPRGKRZSA-N 315.804 4.567 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@@H](C)c2cccc(OC(C)C)c2)c1 302123265 VFXUCUASRHNZOC-AWEZNQCLSA-N 322.408 4.721 30 20 DJED Cc1coc2ccc(N=C(O)[C@H](C)/N=C(/O)C3CCCC3)cc12 328781203 HGUIMPWMHCYFFZ-LBPRGKRZSA-N 314.385 4.864 30 20 DJED CC[C@@H]1OCCC[C@H]1C(O)=Nc1cc(-c2cccnc2)ccc1C 330059594 LEZUTYLMBBCYBA-MJGOQNOKSA-N 324.424 4.850 30 20 DJED CC[C@H](C)n1ncc(N=C(O)N(C)[C@@H](C)C2CCCCC2)c1C 330431435 JCDJGIFWYXFTHB-KBPBESRZSA-N 320.481 4.609 30 20 DJED CCc1ccsc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 430583531 MURPOUGRVSZGAY-NSHDSACASA-N 318.467 4.555 30 20 DJED C=CCC(C)(C)CNC(=O)N1CCC[C@H]1c1ccc(C)s1 432573314 FLUNSOMVBFMSEV-AWEZNQCLSA-N 306.475 4.505 30 20 DJED COc1cccc(OCCSCCCCC(C)(C)C#N)c1 435889056 QVEDEXNKLRYQEJ-UHFFFAOYSA-N 307.459 4.527 30 20 DJED C=C[C@](C)(CC)C(=O)N(C)c1nc2cccc(Cl)c2s1 436392298 SIBBIXULJXBKKG-OAHLLOKOSA-N 308.834 4.515 30 20 DJED CC[C@H](NCCCCN(C)c1ccccc1)c1ccc(C#N)cc1 447530801 NSBYEWDHEKNPOP-NRFANRHFSA-N 321.468 4.516 30 20 DJED Cc1csc(NC(=O)c2ccc(C3CCCC3)cc2)c1C#N 464576934 OFTAWNLKGUYOTL-UHFFFAOYSA-N 310.422 4.838 30 20 DJED C=CCC(CC=C)C(=O)Nc1cccc(-c2csc(C)n2)c1 467735850 QZBCUPXBPYACEM-UHFFFAOYSA-N 312.438 4.825 30 20 DJED N#Cc1cccc(SCC(=O)c2ccc3ccccc3c2)c1 468628056 PIUFNGJDXSGAHU-UHFFFAOYSA-N 303.386 4.686 30 20 DJED C[C@H](N[C@H](C)c1cc2cccc(F)c2o1)c1ccc(C#N)cc1 474102594 BLHJKKNBOGQMBE-QWHCGFSZSA-N 308.356 4.855 30 20 DJED C[C@H](NCCCCC#N)c1ccc2ccccc2c1OC(F)F 482438663 MWZGHACBUJZWCT-ZDUSSCGKSA-N 318.367 4.786 30 20 DJED CCOc1cccc2cc([C@H](C)Nc3nc(C)ccc3C#N)oc12 500251490 FVYNWGJATJRAFQ-ZDUSSCGKSA-N 321.380 4.580 30 20 DJED N#Cc1ccc(Cl)c(C(=O)Nc2cccc3ccccc23)c1 505923683 XHKDKKUGDUPMEE-UHFFFAOYSA-N 306.752 4.617 30 20 DJED CC(C)(C)CN(Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1 508266668 WFKJBCDPJCTOKR-UHFFFAOYSA-N 321.424 4.638 30 20 DJED CC[C@H](CC1CCCC1)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 513433363 XVAWHOJUQRBKKB-LJQANCHMSA-N 324.468 4.656 30 20 DJED C=CCN(Cc1cccs1)C(=O)NC[C@@H](CC)CCCC 515293261 VRGDFLCGBLRMDE-HNNXBMFYSA-N 308.491 4.662 30 20 DJED C=CC[C@H](C)NCc1cn(-c2ccccc2)nc1-c1ccccc1 523941036 LUTSMSMMYOZMAN-KRWDZBQOSA-N 317.436 4.594 30 20 DJED C[C@@H]1C[C@@H]1[C@H](NCc1ccccc1C#N)c1ccc(Cl)cc1 540523678 WYXCRKPELSMHCE-ZNZDAUKMSA-N 310.828 4.699 30 20 DJED C[C@H](CCC(C)(C)C)C(=O)N(C)c1cc(Cl)ccc1C#N 543481565 QTOJXUOWSFYVAT-GFCCVEGCSA-N 306.837 4.637 30 20 DJED Cc1sccc1CNc1ccc(Oc2ccnc(C#N)c2)cc1 555586905 KPKVQZFOGWSRHN-UHFFFAOYSA-N 321.405 4.728 30 20 DJED CC(C)(CCC#N)CN[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 558239115 ZIFWCKLHDVJKLQ-IAGOWNOFSA-N 304.865 4.896 30 20 DJED COc1cc(CN[C@H]2C[C@@H](C(C)C)c3ccccc32)ccc1C#N 564434495 YBCDFEGSQXJQET-PMACEKPBSA-N 320.436 4.541 30 20 DJED CC[C@H](C)Oc1cccc(N[C@H]2CCc3ccc(C#N)cc32)c1 568045129 NNIUROPRPUUBSY-XOBRGWDASA-N 306.409 4.835 30 20 DJED CCc1ccccc1NC(=O)[C@H](C)Sc1ccc(C#N)c(C)c1 578192412 PJBRDBJVJSMMPV-AWEZNQCLSA-N 324.449 4.548 30 20 DJED CC(C)Cn1ccc2cc(NC(=O)CCCCCC#N)ccc21 588156433 JPQZAAHUTZZZER-UHFFFAOYSA-N 311.429 4.710 30 20 DJED CCSc1ccc(Cl)cc1N[C@H](C#N)Cc1ccccc1 609221603 NDTTZAJGJSPSMP-HNNXBMFYSA-N 316.857 4.999 30 20 DJED C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccccc1C(C)(C)C#N 611554134 FIIDGKLSVFJVJJ-ZFWWWQNUSA-N 324.390 4.651 30 20 DJED Cc1c(COC(C)(C)C)cccc1N[C@H]1CCC[C@@H](C#N)C1 618574025 RUFPDAXNOSXKPA-WBVHZDCISA-N 300.446 4.804 30 20 DJED CC(=NNc1ncnc2sccc12)c1ccc(C(C)C)cc1 725819369 SBRRLSIMOJWOAX-UHFFFAOYSA-N 310.426 4.651 30 20 DJED C[C@@H]1C[C@H](CC(=O)[C@H](C#N)c2nc3ccccc3o2)CC(C)(C)C1 727629487 YQMQASSPHCNWTE-KFWWJZLASA-N 324.424 4.857 30 20 DJED Cc1cc(C)c(C(=O)/C=C\c2c(Cl)nc(Cl)n2C)cc1C 728439125 FIDSGEFPBCELSE-WAYWQWQTSA-N 323.223 4.548 30 20 DJED C=CCCO[C@@H](C)C(=O)Oc1ccc([C@@H](C)c2ccccc2)cc1 728853013 UJIHIVGZSOTZRV-IRXDYDNUSA-N 324.420 4.725 30 20 DJED CCOc1ccc(C(=O)/C=C\c2coc(-c3ccccc3)n2)cc1 731835566 ITQQWAOHTRQNFF-RAXLEYEMSA-N 319.360 4.636 30 20 DJED C#Cc1cccc(NC(=O)N(C)[C@H](c2ccccc2)C(C)C)c1 733031850 PNXOXRNYHPLVTM-IBGZPJMESA-N 306.409 4.529 30 20 DJED CCCCCCCCCC(=O)N1CCC[C@H](N2CCCC2)CC1 737693498 YCAIEMHZPPBHCG-IBGZPJMESA-N 322.537 4.604 30 20 DJED C/C(=C\C(=O)N(Cc1ccc(C#N)cc1)CC(C)C)C(C)(C)C 742594865 ADTVHDFJSBMHSC-LFIBNONCSA-N 312.457 4.535 30 20 DJED CC(C)c1ccc(/C=C/C(=O)c2ccsc2)cc1[N+](=O)[O-] 749104828 ORMJUXSLKKBXMA-GQCTYLIASA-N 301.367 4.676 30 20 DJED CC(C)(C#N)CCCSCc1c(F)c(F)c(F)c(F)c1F 764643015 RWCCIFOXJUSJKU-UHFFFAOYSA-N 323.330 4.945 30 20 DJED COCc1ccc(C=NN(c2ccccc2)c2ccccc2)o1 764648527 IGTLWNGSFWOEKU-UHFFFAOYSA-N 306.365 4.598 30 20 DJED CC(C)(C)[C@@H](NCc1ccc(C#N)cn1)c1cc2ccccc2o1 783295096 ZGYUKVKCOKRXAF-IBGZPJMESA-N 319.408 4.576 30 20 DJED Cc1cc(F)ccc1[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 841763411 XMEKZYCWERSVPU-XOBRGWDASA-N 308.400 4.734 30 20 DJED O=C1/C(=C/c2cc(Cl)cc(Cl)c2)Cc2c(O)cccc21 917518536 BTGYQZNCWMGEIU-ONNFQVAWSA-N 305.160 4.521 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 1128304414 JRUQJKOYJZNQPJ-JKSUJKDBSA-N 306.494 4.770 30 20 DJED Cc1ccc(CC2CCN(Cc3ccc(C#N)c(C)c3)CC2)cc1 1180310855 SVFRBXKRMNZNDF-UHFFFAOYSA-N 318.464 4.630 30 20 DJED C[C@H]1CCCC[C@H]1Sc1nc(C(F)(F)F)ccc1C#N 1189166414 NQJXOONSQZOMNY-GXSJLCMTSA-N 300.349 4.643 30 20 DJED FC(F)(F)[C@@H]1CCC[C@@H](C=NNc2cc(Cl)ccn2)C1 1261653220 FBSMISZZERSXOY-NXEZZACHSA-N 305.731 4.501 30 20 DJED CCC[C@H]1CCC[C@@H]1C(=O)Nc1cc2ccccc2cc1C#N 1275734004 XGGXBKHPDWRUBQ-KSSFIOAISA-N 306.409 4.866 30 20 DJED Cc1cc(SCc2cscc2Br)ccc1C#N 1307363144 YDLSYYRFMSSXKZ-UHFFFAOYSA-N 324.268 4.983 30 20 DJED CCSc1ccc([C@H](C)NCCc2ccc(C#N)cc2)cc1 1307609703 BKFHLOYRNKHIMO-HNNXBMFYSA-N 310.466 4.564 30 20 DJED C=CCC(CC=C)c1nnc(-c2cc(C)nc3ccccc23)o1 1322179650 OAASWSNKGBEPGR-UHFFFAOYSA-N 305.381 4.829 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)C2C[C@H]3CCC[C@H](C2)C3)n1 1343347878 BDGPVQOKGCQBPJ-KCQAQPDRSA-N 316.470 4.659 30 20 DJED C=C[C@H](Cc1nnc(-c2ccccc2Cl)o1)c1ccccc1 1345635336 ASVXNCCQSWIBJY-CYBMUJFWSA-N 310.784 4.902 30 20 DJED N#Cc1cc(C(=O)Nc2cccc(-c3cccs3)c2)cs1 1357494679 GZLBRLHAUWJJIF-UHFFFAOYSA-N 310.403 4.601 30 20 DJED C[C@H](OC(=O)[C@H](C)c1cc2ccccc2o1)c1cccc(C#N)c1 1457761444 VUAAWRZYDGRJTO-KGLIPLIRSA-N 319.360 4.712 30 20 DJED CC[C@H](C(=O)N(c1cccc(C#N)c1)C1CCC1)c1ccccc1 1461559054 IUOPMJHXLMUFHJ-FQEVSTJZSA-N 318.420 4.638 30 20 DJED C[C@@H]1CCC[C@@H](CNc2c(C#N)cnc3c(Cl)cccc23)C1 1472669341 JGODUGMEFPKJHB-CHWSQXEVSA-N 313.832 4.998 30 20 DJED CC(C)[C@H](CC1CCCCC1)C(=O)Nc1cccc(CC#N)c1 1543579751 WBKYPOPJNFLRSA-IBGZPJMESA-N 312.457 4.934 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)c1cccc2cccnc12 1584892547 QCGSUGYNTNEAHM-UHFFFAOYSA-N 323.355 4.512 30 20 DJED Cc1ccnc(N[C@@H](C)c2ccc(SC(C)C)cc2)c1C#N 1611958614 NOXYWXWASKBXRX-AWEZNQCLSA-N 311.454 4.935 30 20 DJED C[C@@H]1C[C@H](CCNc2nc(C#N)c(Cl)s2)CC(C)(C)C1 1612324576 BSHVAUYQABDNOM-MNOVXSKESA-N 311.882 4.933 30 20 DJED Cc1cc(C)cc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 1641842207 KIZPDCPRSPSTJK-LEWJYISDSA-N 304.437 4.575 30 20 DJED CC[C@@H]1c2ccccc2CCN1c1nc(C(C)(C)C)ccc1C#N 1642274069 DTJCUYADPSZOHD-GOSISDBHSA-N 319.452 4.765 30 20 DJED CC[C@H]1CN(Cc2cccc(C#N)c2F)CC[C@@H]1c1ccccc1 1652659590 WEYKXENWSSZSRE-JXFKEZNVSA-N 322.427 4.713 30 20 DJED Cc1ccc(C#N)c(Oc2cccc(Oc3ccccc3)c2)n1 1654901291 AZNAPSSLKMLBPQ-UHFFFAOYSA-N 302.333 4.846 30 20 DJED O=C(O)c1ccc(-c2ccc(/C=C\C(=O)c3ccco3)cc2)cc1 1777671201 RNGOGPXZSUQUTC-XGICHPGQSA-N 318.328 4.541 30 20 DJED CC(C)(C#N)CCSc1nn(-c2ccccc2)c(=S)s1 123744772 VSDIETKDQRDFCT-UHFFFAOYSA-N 321.496 4.695 30 20 DJED CCCC(CCC)SCc1nnc(-c2ccc(C#N)cc2)o1 150933866 NBUZYCFVPAHSAC-UHFFFAOYSA-N 315.442 4.810 30 20 DJED C=C(C)[C@@H](N[C@@H](C)c1cncc(C)c1)c1ccc(F)c(F)c1 186452358 AIPQDYRMGZWMAM-SCLBCKFNSA-N 302.368 4.636 30 20 DJED CCc1cc(C#N)c(NC(=O)c2csc3ccccc23)s1 193796948 XAENJTDMBPDIKA-UHFFFAOYSA-N 312.419 4.649 30 20 DJED COc1ccc2cc(/C=C\C(=O)c3ccc(F)cc3)ccc2c1 212552936 IJRPHKGMEWQRIR-JYOAFUTRSA-N 306.336 4.884 30 20 DJED N#Cc1cccc(C2(N[C@H]3CCSc4ccc(F)cc43)CC2)c1 272310457 TUAGPKPSNOYYHR-KRWDZBQOSA-N 324.424 4.513 30 20 DJED CC[C@@H](NCc1ccc2[nH]c(C)cc2c1)c1ccc(C#N)cc1 285684026 NTMZDZOPUGMWIO-LJQANCHMSA-N 303.409 4.589 30 20 DJED C[C@@H](Nc1ccccc1OC(F)(F)F)c1cccc(C#N)c1 315042284 BEHIXSNRBMENJO-LLVKDONJSA-N 306.287 4.630 30 20 DJED N#CCCCOc1cccc(NCc2cc(F)cc(Cl)c2)c1 319139016 FQVQGUBZJPHLNA-UHFFFAOYSA-N 318.779 4.774 30 20 DJED Cc1ccc([C@@H]2OCCC[C@H]2C(O)=Nc2cnc(C)s2)cc1 328786291 KTAYBJHMIIIMPA-ZBFHGGJFSA-N 316.426 4.516 30 20 DJED O/C(C/N=C(/O)c1ccsc1)=N/[C@@H]1CCCCC12CCCC2 329633687 SPJZNLYDKXLSRZ-CQSZACIVSA-N 320.458 4.512 30 20 DJED C=CCC[C@@H](NC(=O)N(C1CC1)[C@H](C)C1CC1)c1ccccc1 435763250 QIFOGNNNIFPTQE-DNVCBOLYSA-N 312.457 4.666 30 20 DJED COc1ccc2cc([C@@H](C)Sc3cc(C#N)ccn3)ccc2c1 439267944 BMYNXFIUVZRFRW-CYBMUJFWSA-N 320.417 4.968 30 20 DJED C[C@H](C#N)Sc1nc2c(Cl)c(Cl)cc(Cl)c2o1 440585995 VGJZVSMDFGTSQF-SCSAIBSYSA-N 307.589 4.792 30 20 DJED CC[C@H](NCCCO[C@@H](C)c1ccccc1)c1ccc(C#N)cc1 447516906 QNSOFZGEDPXRNM-UWJYYQICSA-N 322.452 4.767 30 20 DJED C=CCC1(C(=O)N2CCC(CC(F)(F)F)CC2)CCCCC1 451558251 ZAPJCLVOYLGTGI-UHFFFAOYSA-N 317.395 4.704 30 20 DJED N#CCc1cccc(NCc2nc(C3CCCCC3)cs2)c1 453139935 FGLDALCYJOQMMG-UHFFFAOYSA-N 311.454 4.869 30 20 DJED Cc1ccc([C@@H](C)N(C)C(=O)Nc2cccc(CC#N)c2)c(C)c1 455916526 IRDDVXRLLIOYFM-MRXNPFEDSA-N 321.424 4.594 30 20 DJED N#Cc1cc(CNc2ccccc2OC2CCCC2)ccc1F 467773608 RJMFQOBERNDKDB-UHFFFAOYSA-N 310.372 4.631 30 20 DJED CC(C)C[C@H]1CCCCN1C(=O)C[C@H](CC#N)c1ccccc1 476292791 MYNGZTJVWPKVSH-RBUKOAKNSA-N 312.457 4.501 30 20 DJED C[C@H](N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cccc(C#N)c1 479489700 NDGGPJKKMQIZHR-BOUXLOLZSA-N 308.400 4.684 30 20 DJED C=CCC1(C(=O)N2CC[C@H](c3ccccc3)[C@@H](CC)C2)CCC1 479873072 NSFDTMWDPBWBJI-HKUYNNGSSA-N 311.469 4.775 30 20 DJED C[C@H](NC[C@H]1CCSC1)c1ccc(-c2cccc(C#N)c2)cc1 487571578 INYKELJUYSWMMT-DOTOQJQBSA-N 322.477 4.629 30 20 DJED CSc1ccc([C@H](C)NCc2ccc(C#N)cc2Cl)cc1 500242660 AOVIKRZVCMXUPH-LBPRGKRZSA-N 316.857 4.784 30 20 DJED C=CC[C@H](C)NC(=O)Nc1cccc(OCc2ccccc2C)c1 522652653 YRUZCBYYIRSPGG-INIZCTEOSA-N 324.424 4.660 30 20 DJED Cc1cccc([C@H]2CCCN2Cc2ccc(C#N)cc2F)c1C 525635389 WVLLFKBYVCIWMH-HXUWFJFHSA-N 308.400 4.651 30 20 DJED C[C@@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)[C@H]2CCCC[C@H]21 526981154 LWDXZRXPNXBBST-GTAWCEEGSA-N 324.468 4.501 30 20 DJED C=C[C@H](CC(=O)Nc1ncc(C(C)C)s1)c1ccccc1 536182192 ARPIXPLAMLDTNG-CYBMUJFWSA-N 300.427 4.565 30 20 DJED C=C(CC)CSCCC(=O)Nc1ccc(Cl)cc1F 539094887 AOWYVQFKBMEZPI-UHFFFAOYSA-N 301.814 4.507 30 20 DJED C=CCC[C@H](NC(=O)N(CC)CCC1CC1)c1ccccc1 546219237 AYCJLZITIUBNSZ-SFHVURJKSA-N 300.446 4.526 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@@H]2Nc1cccc2ccncc12 555418297 GNYVKWLVHVURQB-FQEVSTJZSA-N 313.404 4.986 30 20 DJED N#CCCC1CCN(C(=O)Nc2cccc(C3CCC3)c2)CC1 570041072 KDOBTXKRAASAKL-UHFFFAOYSA-N 311.429 4.502 30 20 DJED Cc1csc(NC(=O)N2CCC[C@@H]2C2CCCCC2)c1C#N 577692502 XVOLMSLHKDANSA-OAHLLOKOSA-N 317.458 4.505 30 20 DJED CSc1cc(Cl)ccc1NCc1ccc(C#N)cc1F 600857169 KJVRYSIOBQZHAW-UHFFFAOYSA-N 306.793 4.685 30 20 DJED C[C@H]1CCC[C@H](C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 610167949 FJALHNQJUNCHIZ-STQMWFEESA-N 316.470 4.653 30 20 DJED Cc1ccc2ccccc2c1CN[C@H](C)c1cccc(C#N)c1 611386105 CNTSXYVUPYYOJP-MRXNPFEDSA-N 300.405 4.871 30 20 DJED CN(c1ccccc1)c1ccc(CN2CCC(CC#N)CC2)cc1 611622779 HGZAILNQDUTBEL-UHFFFAOYSA-N 319.452 4.580 30 20 DJED CSc1ccccc1C[C@@H](C)N[C@H](C)c1cccc(C#N)c1 611966958 HZHJGLCNMDWZEM-HUUCEWRRSA-N 310.466 4.562 30 20 DJED C=C(C)[C@@H](NCCCc1cnccc1C)c1ccc(F)c(F)c1 685427651 OZGSKEXKRPIXGO-LJQANCHMSA-N 316.395 4.508 30 20 DJED CC(C)CN(CC(C)C)C(=S)Nc1ccc(C#N)c(Cl)c1 726433019 XFARQJKFSAHLEH-UHFFFAOYSA-N 323.893 4.522 30 20 DJED C#Cc1cccc(N(CC)C(=O)c2cc3c(F)cccc3s2)c1 728481132 KLEDVUWPYOSWNL-UHFFFAOYSA-N 323.392 4.688 30 20 DJED CCC(Cc1cccs1)=NNc1ncc(Cl)cc1Cl 730946209 LLUAYYVQZUOWQS-UHFFFAOYSA-N 314.241 4.871 30 20 DJED C[C@@H](C/N=C\c1cc2ccccc2nc1O)Sc1ccccc1 743044901 TXSHATKCFHYLQZ-DABDWFRDSA-N 322.433 4.540 30 20 DJED CC(=NNc1ccccc1Cl)c1c(C)nn(C(C)C)c1C 746485531 YGJJNPCFOKZYGZ-UHFFFAOYSA-N 304.825 4.570 30 20 DJED COc1ccccc1/C=C1\CCc2cc(SC)ccc2C1=O 748147294 MFANGLHSZBYHMC-RVDMUPIBSA-N 310.418 4.630 30 20 DJED CC(=NO[C@@H]1CCCCO1)C(c1ccccc1)c1ccccc1 755822773 UOBMPNULFKUKBH-LJQANCHMSA-N 309.409 4.738 30 20 DJED Clc1cncc(NN=C2CCC[C@H]2c2ccccc2Cl)n1 758102712 CFHLZURLSOPQNZ-NSHDSACASA-N 321.211 4.519 30 20 DJED C=CC[C@H](N[C@H](C)c1cccc(OC(F)F)c1)c1ccncc1 766021462 TWRQRUHYNMQBGE-DYVFJYSZSA-N 318.367 4.651 30 20 DJED CCCOc1ccc2[nH]cc(C=NOCc3ccccc3)c2c1 768353845 AJQCSAJNDDSNIL-UHFFFAOYSA-N 308.381 4.507 30 20 DJED CCCCCCCCCCC(=O)N[C@H]1CCOC2(CCC2)C1 768399390 YBLUQOSXCSVNQU-KRWDZBQOSA-N 309.494 4.735 30 20 DJED Cc1ccc(CCC=NOCc2ccc(C(F)(F)F)cc2)cn1 774395820 UKPKAKHXIDEGGE-UHFFFAOYSA-N 322.330 4.544 30 20 DJED O=C(/C=C/c1scnc1C1CC1)c1cccc(OC(F)F)c1 782307644 XVNMJWNBPUJKBV-VOTSOKGWSA-N 321.348 4.518 30 20 DJED Cc1ccc(/C=C\C(=O)c2csc(Cl)c2)cc1[N+](=O)[O-] 787185921 JWLSFTBPUBDWLJ-PLNGDYQASA-N 307.758 4.514 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2cscc2Cl)c(Cl)c1 788360319 IHKQRWJXOOVYOE-DUXPYHPUSA-N 308.189 4.823 30 20 DJED O=C(/C=C/c1ccc(C(F)F)cc1)c1ccnn1-c1ccccc1 798372186 IWOXOIYYTXHQII-DHZHZOJOSA-N 324.330 4.706 30 20 DJED COc1ccc(/C=C/C(=O)c2ccccc2C#N)c2ccccc12 799497771 BKVZFTMCDDCWAB-ZRDIBKRKSA-N 313.356 4.616 30 20 DJED C[C@@H](OC(=O)/C=C/c1ccccc1C#N)c1ccc(Cl)cc1 799635948 DBNZTIHPLYCFEM-RUNBWSAHSA-N 311.768 4.529 30 20 DJED CCC(=NN[C@H]1CCOC(C)(C)C1)C12CC3CC(CC(C3)C1)C2 811647927 AZQRTSKJIUCCEN-FAKMSMKASA-N 318.505 4.516 30 20 DJED CC(=NNc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1 814802830 AJJDXWKWCMSKRD-UHFFFAOYSA-N 318.405 4.518 30 20 DJED CCCC[C@@](C)(F)C(=O)Nc1ccccc1SC[C@H](C)C#N 857585926 JDDIFHBSNGWCCO-CXAGYDPISA-N 322.449 4.795 30 20 DJED CCCCCCCC(=O)N1CCC[C@H]1c1cccc(OC)c1 886552903 XUNNXQHRDOTAQD-SFHVURJKSA-N 303.446 4.719 30 20 DJED CC(=NNc1ccc(C(F)(F)F)cn1)c1ccccc1Cl 915917580 GRJVGBISAJNGPI-UHFFFAOYSA-N 313.710 4.590 30 20 DJED CC(=NNc1ccc(F)cc1F)c1cccc(C(F)(F)F)c1 916248143 OEFQUMTVKKYCTF-UHFFFAOYSA-N 314.257 4.820 30 20 DJED CCc1cc(C#N)c(NC(=O)/C=C\c2ccc(Cl)s2)s1 917878326 NMOUPZIMZJSWST-XQRVVYSFSA-N 322.842 4.549 30 20 DJED CN(CCCCC1(C#N)CCC1)Cc1nc2ccccc2s1 929234074 YEWJYVZPWJFJRF-UHFFFAOYSA-N 313.470 4.592 30 20 DJED Cc1ccc(CSc2nc(C)cc(C)c2C#N)c(Cl)c1 1164515301 MOLWNCOWGFLUDW-UHFFFAOYSA-N 302.830 4.824 30 20 DJED CC1(C)CCC(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 1191156427 LBEARDAEKFBENS-WOJBJXKFSA-N 310.485 4.975 30 20 DJED Cc1cccc(C2=CCN([C@@H](C#N)c3ccccc3)CC2)c1C 1198564188 YZBXCZHJBOTMRU-NRFANRHFSA-N 302.421 4.657 30 20 DJED CCC1(CC)CCCN(C(=O)Nc2cccc(C#N)c2C)CC1 1215786386 LSCZUNVJGHRTRD-UHFFFAOYSA-N 313.445 4.691 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc(Cl)c(F)c1 1254215735 LEBFAIJQKXRFRI-MNOVXSKESA-N 320.770 4.902 30 20 DJED CC[C@H](OC(=O)c1cccc(CC#N)c1)c1cccc(Cl)c1 1267311012 STWRTXPKJUQKRS-KRWDZBQOSA-N 313.784 4.714 30 20 DJED CCC[C@H]1CCC[C@H]1C(=O)Nc1cc2ccccc2cc1C#N 1275734002 XGGXBKHPDWRUBQ-KBXCAEBGSA-N 306.409 4.866 30 20 DJED CC[C@H](NCCC1(C#N)CCCCC1)c1cc(F)ccc1OC 1308090738 PXKHFLJCRCPRMR-KRWDZBQOSA-N 318.436 4.739 30 20 DJED Cc1cc(C)cc(C2CCN(Cc3ccc(F)cc3C#N)CC2)c1 1308137993 YOMDUUNLZNSZJC-UHFFFAOYSA-N 322.427 4.694 30 20 DJED N#CCOc1ccc(N[C@@H]2CC=C(c3ccc(F)cc3)CC2)cc1 1321027329 LHOVATHIBDZWLT-GOSISDBHSA-N 322.383 4.776 30 20 DJED CCC(C#N)(CC)C(=O)Nc1ccc(SC(F)(F)F)cc1 1329976885 BNTZHYLRICRMDA-UHFFFAOYSA-N 316.348 4.567 30 20 DJED C=Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 1352009400 GWJIPJHZYNIQFW-UHFFFAOYSA-N 322.433 4.784 30 20 DJED Cc1cccc(Sc2c(Br)cccc2C#N)c1 1472673365 MUSDASRLFUEZJY-UHFFFAOYSA-N 304.212 4.780 30 20 DJED CCCc1ccc(COc2nc3c(cc2C#N)CCCCC3)cc1 1473074890 COISFGRECLKHTD-UHFFFAOYSA-N 320.436 4.754 30 20 DJED CC(C)(C)CN(CCC#N)Cc1ccsc1C(F)(F)F 1474340188 VLXQPNRVRYQTEI-UHFFFAOYSA-N 304.381 4.529 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)C3CC(C)(C)C3)c2C#N)[C@@H](C)C1 1526730106 CFYXZUOGWHRHCT-QWRGUYRKSA-N 316.470 4.680 30 20 DJED CC(C)(C)C1CCC(CC(=O)O[C@H]2CCC[C@@H](C#N)C2)CC1 1528490642 RCVISIJADSIHLQ-MYBQVCMBSA-N 305.462 4.855 30 20 DJED C=C(CNc1ncnc2ccc(C(C)C)cc12)c1ccccc1 1559206260 VKJINLICKRQJFU-UHFFFAOYSA-N 303.409 4.879 30 20 DJED COc1cc(CN2CC(C)(C)C[C@@H]2c2ccccc2)ccc1C#N 1560898426 JTZIJOGIHLLBRG-LJQANCHMSA-N 320.436 4.540 30 20 DJED CC(C)c1ccc(O[C@H](C)CNC2CCC(C)(C#N)CC2)cc1 1651063170 DADODDFDTFISCD-PPDQVPDSSA-N 314.473 4.639 30 20 DJED COc1cc(C#N)ccc1OCc1ccc(-c2cccs2)cc1 1651554956 AWGABKVQQOYNKS-UHFFFAOYSA-N 321.401 4.874 30 20 DJED Cc1cc(C#N)ccc1CN(C1CC1)[C@H]1CCCc2ccccc21 1653599414 QMTMPTILXFFOFX-QFIPXVFZSA-N 316.448 4.909 30 20 DJED CCN(Cc1cccc(Cl)c1)c1ncc(Cl)c(C)c1C#N 1654988467 SHGMYBFEMMDXKC-UHFFFAOYSA-N 320.223 4.595 30 20 DJED Cc1cccc(C2=CCN([C@H](C)c3cccc(C#N)c3)CC2)c1 1657937445 XXGSHSSKJYDRKT-QGZVFWFLSA-N 302.421 4.717 30 20 DJED N#C[C@H]1CCC[C@H](Nc2cccc(SC(F)(F)F)c2)C1 1660423539 NVERVPQOVFGBPF-QWRGUYRKSA-N 300.349 4.793 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)Nc1sccc1C#N 1663159570 NJGUVFRLUZTQJX-ZIAGYGMSSA-N 319.474 4.594 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N[C@H](CC(C)C)c1ccccc1 1669595520 YJPFEQPYNNCGOI-LJQANCHMSA-N 321.424 4.776 30 20 DJED N#Cc1c(NC(=O)C2CCCCC2)sc2c1CCCCCC2 5897496 WTYDQEZACONKEJ-UHFFFAOYSA-N 316.470 4.798 30 20 DJED CC(C)c1ccc2c(c1)/C(=N/Nc1ccc(F)cc1F)C(O)=N2 6673129 YGOWRDFBKBMHHK-UHFFFAOYSA-N 315.323 4.506 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCc1cccc(F)c1 66861406 WRZVUCLBUXPCKU-CYBMUJFWSA-N 300.402 4.832 30 20 DJED C=C[C@@H](CC(=O)N1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 128198071 AYXJKDJNMBBWBX-JXFKEZNVSA-N 323.411 4.849 30 20 DJED CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1F 160737222 ZBRAIPYDMKYOHP-KZULUSFZSA-N 300.352 4.638 30 20 DJED CCCc1cccc(C(C)C)c1NC(=O)N1CCC(C#N)CC1 189955106 GAEKKCUSNOIYAD-UHFFFAOYSA-N 313.445 4.530 30 20 DJED CCCCCCCC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C 302924756 BYVZSGTUVSXRME-HNNXBMFYSA-N 321.461 4.550 30 20 DJED C[C@@H]1CC[C@H](/N=C(/O)Cc2ccc3n[nH]cc3c2)c2ccccc21 330021139 XIGGQLPWUGWJFF-YJYMSZOUSA-N 319.408 4.701 30 20 DJED C=CCC1(NC(=O)c2cc(C)oc2C(F)(F)F)CCCCC1 411065503 KUJXUWYZWQLFHY-UHFFFAOYSA-N 315.335 4.616 30 20 DJED C=CCOc1cccc(CN[C@@H](CC(F)F)c2ccccc2)c1 421380690 ZCXKDZQAIBBNKG-SFHVURJKSA-N 317.379 4.738 30 20 DJED C=CCC(CC=C)c1nc([C@H]2CSc3ccccc3O2)no1 446010003 ICWKOSFDVOYAFD-CQSZACIVSA-N 314.410 4.531 30 20 DJED C=CCCCC[C@H](C)Nc1cccc(NC(=O)N(C)C)c1C 449295425 SAFWDWUXGYRYFZ-AWEZNQCLSA-N 303.450 4.635 30 20 DJED C=CC[C@@H]1N(C(=O)c2cc3ccncc3s2)CCCC1(C)C 451209201 CGDWBHCJMYYMPT-INIZCTEOSA-N 314.454 4.503 30 20 DJED Cc1cc(Cl)ccc1NC(=O)[C@H](C)SCCC(C)(C)C#N 461245790 LJIOTPSCUCHPKX-LBPRGKRZSA-N 324.877 4.649 30 20 DJED CC(C)(C)CN(CCC#N)C(=O)CCc1ccc2ccccc2c1 494431763 YYIQHOUVLHGUGD-UHFFFAOYSA-N 322.452 4.561 30 20 DJED CCOc1cccc(CN(CC)[C@@H](C)c2ccc(C#N)cc2)c1 508668122 WPMYNKKDQMOYTA-INIZCTEOSA-N 308.425 4.540 30 20 DJED C=CC[C@@H](C)NC(=O)c1ccc(CSc2ccccc2)cc1 522665647 OGGLKLALWTWSLX-OAHLLOKOSA-N 311.450 4.673 30 20 DJED N#Cc1cc(F)c(NCc2ccc(-c3ccccc3)o2)c(F)c1 523322169 SPBGPJNYCFKYSJ-UHFFFAOYSA-N 310.303 4.709 30 20 DJED C=CCCC[C@H](C)NC(=O)Nc1ccc(OC(C)C)cc1C 538353206 DEBIMURXAWOIML-HNNXBMFYSA-N 304.434 4.649 30 20 DJED Cc1ccc2c(c1)[C@@H](N[C@@H]1CCCc3cc(C#N)ccc31)CC2 557483718 RSKXUZGBQCGGKO-RTWAWAEBSA-N 302.421 4.521 30 20 DJED Cc1cc(NC(=O)CCCCCC#N)ccc1Oc1cccnc1 588154064 RZOFRQFQNBSZEC-UHFFFAOYSA-N 323.396 4.595 30 20 DJED N#CCCCCCC(=O)Nc1ccc(COC2CCCC2)cc1 588158810 PFFWEWDMXTWTIK-UHFFFAOYSA-N 314.429 4.558 30 20 DJED CC(=O)c1ccc(-c2cc(CC#N)ccc2OC(C)C)c(F)c1 592985575 ALAFEORXSZRKBH-UHFFFAOYSA-N 311.356 4.549 30 20 DJED C=C[C@H](C)NCc1nc(-c2cc(Cl)ccc2Cl)cs1 677149360 BEYINAWAMXBPLY-VIFPVBQESA-N 313.253 4.781 30 20 DJED CC(=NNc1ccc(Br)cc1C)c1sccc1C 733747805 TWIJEEAZRZOTEJ-UHFFFAOYSA-N 323.259 4.964 30 20 DJED CC(=NNc1cccc(F)c1)c1ccc(SC(F)F)cc1 734980208 OXFFYJWUMAKTBP-UHFFFAOYSA-N 310.344 4.977 30 20 DJED N#Cc1ccc(COC(=O)C2CCC(c3ccccc3)CC2)cc1 744115770 NQTDKCVTBUOIGV-UHFFFAOYSA-N 319.404 4.575 30 20 DJED Cc1ccc(C#N)cc1NC(=S)Nc1cccc(C(C)C)c1 746344006 KWXRJYWFOWXZNF-UHFFFAOYSA-N 309.438 4.799 30 20 DJED CC(C)N(Cc1ccc(O[C@H](C)C#N)cc1)C1CCCCC1 768159167 BTMMRWNJPXOQFI-MRXNPFEDSA-N 300.446 4.521 30 20 DJED N#Cc1cc(Cl)ccc1CNc1ccc(OCC2CC2)cc1 774287879 IOMSPIOXAGTDJL-UHFFFAOYSA-N 312.800 4.613 30 20 DJED C#CC[C@H](NCc1ccccc1C(F)(F)F)c1ccccc1 775400389 ZOVXGOYILRMUTH-KRWDZBQOSA-N 303.327 4.560 30 20 DJED CC(C)(C#N)CCCOC(=O)CCc1ccc2ccccc2c1 783086600 QANZFERBSSWBRF-UHFFFAOYSA-N 309.409 4.646 30 20 DJED COc1ccc(-c2ccccc2)cc1/C=C\C(=O)c1cncs1 787171419 LWHLAWBHFDDCIS-CLFYSBASSA-N 321.401 4.715 30 20 DJED Cc1c(C(=O)/C=C\c2csc3ccccc23)cnn1C(C)C 787187630 SZZBMQAZOYNSDL-HJWRWDBZSA-N 310.422 4.883 30 20 DJED C=CCC[C@H](C(=O)Nc1cc(C)cnc1Cl)c1ccccc1 787976135 DDDPXBHWLSCBGZ-HNNXBMFYSA-N 314.816 4.732 30 20 DJED Cc1cc(C(=O)/C=C/c2cnc(-c3ccco3)s2)c(C)s1 789131009 SVPNULHJOCLHME-AATRIKPKSA-N 315.419 4.978 30 20 DJED CCCCCCCCS(=O)(=O)[C@@H](C)c1ccccc1OC 790173084 DITHJQJFHCDUBX-HNNXBMFYSA-N 312.475 4.532 30 20 DJED CC[C@@H](C)CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 790291528 CGZFVNDUNVJQNO-DNVCBOLYSA-N 306.409 4.717 30 20 DJED CC(C)(C)c1cnc([C@H](C#N)C(=O)C2=CCCCCC2)s1 797572287 XFJVXMKNQXBOJD-CYBMUJFWSA-N 302.443 4.507 30 20 DJED CC(CCCCC#N)=NNc1nc(Cl)c(Cl)cc1Cl 841608385 DOSFLGNKPCWYBF-UHFFFAOYSA-N 319.623 4.914 30 20 DJED FC(F)(F)[C@H]1CCC[C@H](C=NNc2ncccc2Cl)C1 853294540 UVLJXOHUKNTVRH-UWVGGRQHSA-N 305.731 4.501 30 20 DJED O=C(/C=C\c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl 917517007 IEEWHHVQZNWQFD-KTAJNNJTSA-N 319.187 4.824 30 20 DJED Cc1ccccc1OCC/N=C\c1cc(Cl)cc(Cl)c1O 917557600 BFQFBRLSFPEPEH-GRSHGNNSSA-N 324.207 4.505 30 20 DJED Cc1c(C(=O)O[C@H]2CC[C@H](C#N)C2)oc2c1ccc1ccccc12 1122639216 JMGLEOVWNLZDCJ-ZFWWWQNUSA-N 319.360 4.744 30 20 DJED CC(C)(C)[C@@H]1Cc2ccccc2N(CCc2ccc(C#N)cc2)C1 1196919238 JXLJVCAQRUXEHZ-HXUWFJFHSA-N 318.464 4.826 30 20 DJED N#CC1(CN[C@H](c2cccc(Cl)c2)C2CCCCC2)CC1 1307628128 IBCPYRNVXJDBNO-KRWDZBQOSA-N 302.849 4.855 30 20 DJED N#Cc1ccc(F)c(CN[C@H]2CCCC[C@@H]2c2ccccc2)c1 1308941447 WBWHGYIVUOHBLD-QUCCMNQESA-N 308.400 4.513 30 20 DJED C=CCC1(C(=O)N2CCC(Cc3ccc(C)cc3)CC2)CCC1 1338928203 DMOJDMQKNLHJIQ-UHFFFAOYSA-N 311.469 4.523 30 20 DJED CCn1c2ccccc2c2cc(CN(C)CC3(C#N)CC3)ccc21 1341784267 LHSSJMLOLCTVIK-UHFFFAOYSA-N 317.436 4.550 30 20 DJED C=C(CNC(=O)c1[nH]c2ccc(C)cc2c1Cl)c1ccccc1 1343743658 SCOVOBCPDRIXED-UHFFFAOYSA-N 324.811 4.573 30 20 DJED Cc1ccc(C#N)cc1NC(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1 1361270083 PUGTUSYPIZQLAO-TZMCWYRMSA-N 324.346 4.564 30 20 DJED CN(CCc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1c1ccccc1 1460247469 NGVCIAUHBWZBRH-VXKWHMMOSA-N 318.464 4.759 30 20 DJED Cc1cc(C(F)(F)F)ccc1CNc1cccc(F)c1C#N 1472758434 QRCXQHGEWXWEPE-UHFFFAOYSA-N 308.278 4.637 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)C[C@@H](C)c1ccc(F)cc1 1474362422 KEIYCBQBWFWLML-QGZVFWFLSA-N 324.443 4.959 30 20 DJED Cc1ccc(C)c([C@@H](C)NC(=O)C[C@@H](CC#N)c2ccccc2)c1 1520624944 QJUSKKMYZBULJR-IEBWSBKVSA-N 320.436 4.568 30 20 DJED CC[C@@H](C)Oc1cccc(NC(=O)CC2(C#N)CCCCC2)c1 1523597132 NEWYCDOCOGUDGU-OAHLLOKOSA-N 314.429 4.667 30 20 DJED N#Cc1cc(NC(=O)c2ccc(C3CCCC3)cc2)ccc1F 1528017928 QWTZTDYHVBQJMA-UHFFFAOYSA-N 308.356 4.607 30 20 DJED Cc1ccccc1-c1ccccc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 1528497513 NJAZNJDLWRSSGW-DLBZAZTESA-N 319.404 4.901 30 20 DJED CC[C@@H](C)c1ccc([C@H](NC(=O)c2ccc(C#N)o2)C(C)C)cc1 1531422333 NUGRVNXQVVXKQT-AUUYWEPGSA-N 324.424 4.792 30 20 DJED Cc1cc(Cl)ccc1COc1nc(C(C)(C)C)ccc1C#N 1559428381 FNHCUINVPHSJHS-UHFFFAOYSA-N 314.816 4.792 30 20 DJED Cc1ccnc(N[C@H](C)c2ccc(SC(C)C)cc2)c1C#N 1611958615 NOXYWXWASKBXRX-CQSZACIVSA-N 311.454 4.935 30 20 DJED CC[C@H](C)c1ccc([C@@H](Nc2cc(C#N)cnn2)C(C)C)cc1 1639204703 POTVBDOZVAGAFE-LIRRHRJNSA-N 308.429 4.671 30 20 DJED CCc1cc2c(Sc3ccc(C#N)c(C)c3)ncnc2s1 1640060974 UWOWPQAHFAAZQC-UHFFFAOYSA-N 311.435 4.585 30 20 DJED C[C@@]1(CCc2ccccc2)CCN([C@H](C#N)c2ccccc2)C1 1641971542 USQVRCIMYOJZIH-NHCUHLMSSA-N 304.437 4.596 30 20 DJED CC[C@H](C)[C@@H](C)Nc1cc(C)c(C#N)c2nc3ccccc3n12 1642292137 DPTDIPPNUQXYCC-GXTWGEPZSA-N 306.413 4.514 30 20 DJED N#Cc1nc(SCc2ccccc2C2CC2)ccc1Cl 1642579026 KMKWSIUZNCFKEN-UHFFFAOYSA-N 300.814 4.776 30 20 DJED Cc1ccc([C@H]2C[C@@H](C)N(Cc3ccc(Cl)cc3C#N)C2)cc1 1642921969 TUFRTRSXXWUTFA-BEFAXECRSA-N 324.855 4.898 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C[C@@H]1CCCCC1(F)F 1644453867 UFMBGXIYZWPDTC-KRWDZBQOSA-N 306.400 4.594 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@@H]1CNc1ncc(C#N)cc1Cl 1650709157 DQOZXCJYZWCMDA-ZIAGYGMSSA-N 305.853 4.871 30 20 DJED Cc1ccc(CC2CCN([C@H](C)c3cccc(C#N)c3)CC2)cc1 1653859711 YBRSMWVWASCARG-GOSISDBHSA-N 318.464 4.882 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](c2ccccc2)CC1 1657174529 JTGQDHRYQSHVGG-PXNSSMCTSA-N 304.437 4.889 30 20 DJED CCC(CC)CN(CCC#N)C(=O)OCc1cccc(Cl)c1 1660082303 XRBZQNHSWYBYQZ-UHFFFAOYSA-N 322.836 4.628 30 20 DJED CCC[C@@H](CC)NC(=O)Nc1ccccc1SC[C@H](C)C#N 108533164 PEMASQMVVSMFIV-ZIAGYGMSSA-N 319.474 4.639 30 20 DJED COc1ccc(CN[C@@H](C)c2cccc3ccccc23)cc1C#N 124932256 LSLGDSFJKIQMEW-HNNXBMFYSA-N 316.404 4.571 30 20 DJED CC(C)CCOc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 236578116 JARKBHHWZGSIRQ-KRWDZBQOSA-N 322.452 4.834 30 20 DJED CC(C)[C@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 271859991 KEEIQGJTLRUEBC-UZLBHIALSA-N 308.425 4.637 30 20 DJED CCc1nc(N[C@@H](CCC#N)c2ccccc2)c2ccsc2n1 301820724 BEUBJNOPURRBMJ-HNNXBMFYSA-N 322.437 4.711 30 20 DJED Cc1ccc(-c2cccnc2)cc1N=C(O)[C@H]1CCCCC(O)=N1 330042409 DRLLNWLXYTYLMM-MRXNPFEDSA-N 323.396 4.544 30 20 DJED Cc1cc(C)nc(N=C(O)c2ccc(C(C)C)c(Cl)c2)n1 330907707 FLWPVPGTDRAYON-UHFFFAOYSA-N 303.793 4.507 30 20 DJED Cc1cc(C)c(NC(=O)[C@@H](C)SCCC(C)(C)C#N)c(C)c1 342009057 SYRSXZZDRXTVRM-OAHLLOKOSA-N 318.486 4.612 30 20 DJED C[C@H](CCC#N)N1CCC(c2ccccc2C(F)(F)F)CC1 411351280 TXHLFUBHDFWJEX-CYBMUJFWSA-N 310.363 4.577 30 20 DJED CC1(C)C[C@H](Sc2ccc(C#N)c(C(F)(F)F)c2)CCO1 412996954 GJDSVJCDQKFSAV-GFCCVEGCSA-N 315.360 4.627 30 20 DJED C=CCC[C@@H](NC(=O)Nc1ccccc1OC)c1ccccc1 435140290 HHOPIOMDRWELNR-MRXNPFEDSA-N 310.397 4.524 30 20 DJED C=C(C)CN(CC)C(=O)Nc1cc2sc(C)nc2cc1Cl 435186576 NAKGTQREKIIPRQ-UHFFFAOYSA-N 323.849 4.688 30 20 DJED COc1c(C)cnc(CS[C@@H](C)c2cccc(C#N)c2)c1C 443132306 KVTJWKWWRRRCGH-AWEZNQCLSA-N 312.438 4.573 30 20 DJED CC[C@H](CSc1ccccc1)NC1CCC(C)(C#N)CC1 449197018 YDIYOXICRGDGRT-KLHKWILBSA-N 302.487 4.619 30 20 DJED C=CCOc1cccc(CNc2ccc(CC(F)(F)F)cc2)c1 462722989 DJFUGAJEFMKGJR-UHFFFAOYSA-N 321.342 4.968 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(COC2CCCC2)cc1 467319290 WVPBCDPYLCEJNA-UHFFFAOYSA-N 313.441 4.853 30 20 DJED C=CCC(CC=C)C(=O)N1CC[C@H](c2ccccc2)[C@H](CC)C1 467322704 WFYUOJXPUGDBPM-XLIONFOSSA-N 311.469 4.797 30 20 DJED C=CCOc1ccc(CN(C(=O)CC2CCC2)C(C)(C)C)cc1 467904364 QTYQXYIVAUCOHN-UHFFFAOYSA-N 315.457 4.569 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H]2CCC[C@H]21 475583366 MTAYPTUBTJYUJF-MAUKXSAKSA-N 312.457 4.945 30 20 DJED C[C@@H](NC(=O)CC(C)(C)C#N)c1ccc(Cl)c2ccccc12 505264450 LGQRKGBNHUHDBN-GFCCVEGCSA-N 314.816 4.610 30 20 DJED CCN(Cc1cccc(O)c1Cl)[C@H](C)c1ccc(C#N)cc1 507331978 GXBZFEYHVWEISV-CYBMUJFWSA-N 314.816 4.500 30 20 DJED COc1ccccc1-c1ccc(/C=C/c2ccc(C#N)cn2)cc1 525045527 BSZKQTTZAWYIGM-XYOKQWHBSA-N 312.372 4.799 30 20 DJED N#CC1(CN[C@H](Cc2ccc(Cl)cc2)c2ccccc2)CC1 538389158 AWDMBFOLNPDHBZ-GOSISDBHSA-N 310.828 4.517 30 20 DJED C[C@@H]1C[C@H]1[C@H](NCc1ccc(CC#N)cc1)c1ccc(Cl)cc1 543183256 LRLDXWJONRIPRG-JSNMRZPZSA-N 324.855 4.893 30 20 DJED N#C[C@@H]1CC[C@H](N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)C1 559150416 WCHYPSOHHCKWMR-DOMZBBRYSA-N 321.251 4.775 30 20 DJED C[C@@](C#N)(NC(=O)c1ccc(F)c2ccccc12)C1CCCCC1 576087250 KCLGBTRSQNUYIS-FQEVSTJZSA-N 324.399 4.571 30 20 DJED CC(C)(C)C[C@@H](NC(=O)CCCCCC#N)c1ccc(F)cc1 588151712 LFPMHEVCUSSNQX-QGZVFWFLSA-N 318.436 4.893 30 20 DJED C=CCN(Cc1ccccc1)C(=O)C[C@H](C)c1ccccc1F 588360649 RLSPSUOWKADBJV-INIZCTEOSA-N 311.400 4.534 30 20 DJED Cc1cccc2[nH]c(CN[C@@H](CCC#N)c3ccccc3)cc12 594958332 PWYFOJQZTGDLJA-IBGZPJMESA-N 303.409 4.611 30 20 DJED Cc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)s1 603969456 XFBXSIQOEBIKGD-UHFFFAOYSA-N 324.430 4.909 30 20 DJED CC(C)(C)SCC/N=C\c1cc(Cl)cc(Cl)c1O 727265073 HHGLATNAMITVMB-PXNMLYILSA-N 306.258 4.650 30 20 DJED CC(C)C[C@@H](C)CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730416952 JJMINGVRWISQSI-YPMHNXCESA-N 318.417 4.684 30 20 DJED C[C@H](CC1CCCC1)C(=O)[C@H](C#N)c1ccc2ccccc2n1 734078899 DQWKBAQLYOUDCO-RHSMWYFYSA-N 306.409 4.627 30 20 DJED C=C(C)COc1cc(/C=C\C(=O)c2ccc(C)cc2)ccc1OC 747062081 SGPLRDUINSZJAM-XFFZJAGNSA-N 322.404 4.855 30 20 DJED CC(C)Oc1ccc(/C=C/C(=O)c2c[nH]c3cc(F)ccc23)cc1 749454209 XLGWFWXAKBKNAJ-BJMVGYQFSA-N 323.367 4.990 30 20 DJED Cc1cccc2nc([C@@H](C#N)C(=O)[C@H](C)CCC(C)(C)C)[nH]c12 755693654 AVAUYYPEXRPDEO-KGLIPLIRSA-N 311.429 4.510 30 20 DJED CC(C)(C)c1ccc(CNc2ccc(F)cc2OCC#N)cc1 760466396 YHMMGKICWFXNEW-UHFFFAOYSA-N 312.388 4.638 30 20 DJED CCCCCCCC[C@@H](C)CC(=O)N1CCC[C@H]1c1ncc[nH]1 777452964 JIZFBINBGHYBBM-SJORKVTESA-N 319.493 4.850 30 20 DJED CC(C)Cc1ccc(CNc2ccccc2O[C@@H](C)C#N)cc1 779990879 AEXOYEDALSUUSA-INIZCTEOSA-N 308.425 4.788 30 20 DJED CC(=O)Nc1ccc(C(=O)/C=C/c2c(C)oc3ccccc23)cc1 781553904 ZAAYITSCXQTZKB-VAWYXSNFSA-N 319.360 4.596 30 20 DJED COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2F)c(F)c1 782199982 KSWVMVWFSWHBSG-XVNBXDOJSA-N 308.711 4.523 30 20 DJED C=CC[C@H]1N(C(=O)Nc2ccc(Cl)nc2C)CCCC1(C)C 788807292 FVGIEIOFMQAGME-CQSZACIVSA-N 321.852 4.642 30 20 DJED CC1(C)CCC(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)CC1 797569802 XJZLIYMHVWHDCR-CYBMUJFWSA-N 318.486 4.833 30 20 DJED CCCCCCCCC(=O)N1CCC[C@@H](c2ccncc2)C1 816607651 AWVFDZKJANTNOV-GOSISDBHSA-N 302.462 4.538 30 20 DJED C=C(Cl)CS[C@@H](C)C(=O)Nc1c(CC)cccc1CC 853782877 CCYVLRYMJRIODZ-LBPRGKRZSA-N 311.878 4.624 30 20 DJED Oc1ccc(Cl)cc1C=Nc1ccc2oc(C3CC3)nc2c1 914703089 OECJHSWMOQQQJS-UHFFFAOYSA-N 312.756 4.815 30 20 DJED C[C@@H](/N=C\c1c(O)ccc2ccccc12)c1ccc(C#N)cc1 915113203 QUCMVEIZNUEJEW-BXSODOALSA-N 300.361 4.597 30 20 DJED CC(C)Oc1ccc(C(=O)/C=C\c2c(F)cccc2F)cc1 916130795 DCRRINNTYIFKJK-KHPPLWFESA-N 302.320 4.648 30 20 DJED CCCCC1CCC(C(=O)Nc2nc(C)cc(C)c2C#N)CC1 1130815077 MPZGZSRFBLNYPG-UHFFFAOYSA-N 313.445 4.505 30 20 DJED CC(C)[C@@H](Nc1ccc(Cl)c(C#N)n1)c1ccc(F)cc1 1159061649 NMPNPXMSKGSUNM-MRXNPFEDSA-N 303.768 4.555 30 20 DJED Cc1ccc([C@H](C)CNc2nc(C(C)(C)C)ccc2C#N)cc1 1185429654 LREOMDIZBCRECF-OAHLLOKOSA-N 307.441 4.775 30 20 DJED N#Cc1cccc(N[C@@H](c2c(Cl)cccc2Cl)C2CC2)n1 1186626975 MFJNXNJYAGWWSU-MRXNPFEDSA-N 318.207 4.823 30 20 DJED N#Cc1cccc(COc2ccc(Cl)cc2C(F)(F)F)c1 1189050323 PMRHXADLYSUQAU-UHFFFAOYSA-N 311.690 4.809 30 20 DJED COc1ccc(C#N)cc1CN1CCCC2(CCCCC2)CC1 1193430530 MIHWEPDOEPRDRG-UHFFFAOYSA-N 312.457 4.503 30 20 DJED CCCC[C@@H](C)N(CCCC)C(=O)Nc1cccc(CC#N)c1 1205390263 OQPLBFXEPNFFAA-MRXNPFEDSA-N 315.461 4.965 30 20 DJED C[C@@H]1CCC[C@H]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 1264129137 KPMACQAQIPXRBO-OLZOCXBDSA-N 316.470 4.653 30 20 DJED CC1(C)C[C@H](c2ccccc2)N(c2ncc(C#N)cc2Cl)C1 1307148778 KSHUAKRXIRELRG-MRXNPFEDSA-N 311.816 4.584 30 20 DJED CC[C@H]1CCC[C@H]1C(=O)Nc1sc2c(c1C#N)CCCCC2 1350729393 ILEPFHIVOZDCIT-QWHCGFSZSA-N 316.470 4.653 30 20 DJED CC[C@H](CC(C)C)C(=O)Nc1cc(C(C)(C)C)sc1C#N 1358071430 FXLBAXYVCZRRBX-GFCCVEGCSA-N 306.475 4.928 30 20 DJED CCC[C@@H](C(=O)O[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 1457188794 CJXWCANXSRZIIY-HNAYVOBHSA-N 307.393 4.746 30 20 DJED Cc1nc(N2CCC[C@@H]2CC2CCCCC2)c(Cl)cc1C#N 1458148718 ZZQVIERRFGCCBI-MRXNPFEDSA-N 317.864 4.854 30 20 DJED COc1ccc(C#N)cc1CS[C@H](C)c1ccc(F)cc1 1458933555 COTWEXAKYYYDNG-GFCCVEGCSA-N 301.386 4.700 30 20 DJED N#Cc1ccc(CN[C@@H]2CCCCC23CCCC3)cc1Cl 1462146096 PUDYTUSJBZRNAM-QGZVFWFLSA-N 302.849 4.804 30 20 DJED C[C@@H]1CCC[C@H](CNc2c(C#N)cnc3c(Cl)cccc23)C1 1472669343 JGODUGMEFPKJHB-OLZOCXBDSA-N 313.832 4.998 30 20 DJED N#Cc1ccc(COc2ccccc2Cl)c(Br)c1 1472926848 XRGATXYANBRKDH-UHFFFAOYSA-N 322.589 4.553 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1cc(Cl)ccc1F 1473106247 MLSDXRGXCKOPEI-UHFFFAOYSA-N 316.807 4.763 30 20 DJED Cc1ccc2c(C(=O)OCc3ccc(CC#N)cc3)csc2c1 1520148843 VVKLSVGOIBWTFM-UHFFFAOYSA-N 321.401 4.633 30 20 DJED CCCC[C@H](CC)CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1529288055 YCMMPFMKDVGDHL-HNAYVOBHSA-N 312.457 4.658 30 20 DJED CC(C)[C@]1(C)C[C@H]1C(=O)Nc1sc2c(c1C#N)CCCCC2 1530061569 CKZJOWUTJDAXJK-KSSFIOAISA-N 316.470 4.509 30 20 DJED N#Cc1cccc(CSc2nc3ccc(F)cc3s2)c1 1559464751 IDMJRLWQSPJUPM-UHFFFAOYSA-N 300.383 4.599 30 20 DJED CCN(C(=O)O[C@H](C)CC(C)C)[C@@H](C)c1ccc(C#N)cc1 1561131027 FEBAASJAIAADNX-CABCVRRESA-N 302.418 4.512 30 20 DJED CCC[C@H](CC1CCCCC1)C(=O)O[C@H]1CCC[C@H](C#N)C1 1583559873 YNBYQIBWZKLUDQ-KSZLIROESA-N 305.462 4.999 30 20 DJED CC(C)[C@@H]1C[C@@H](OC(=O)c2cccc(CC#N)c2)c2ccccc21 1586468641 HANVSYHDTSHUKQ-VQTJNVASSA-N 319.404 4.794 30 20 DJED C[C@@H](C(=O)Nc1ccc(Cl)cc1C#N)c1cc2ccccc2o1 1587283611 TVYHZGBRPOCUPV-LLVKDONJSA-N 324.767 4.700 30 20 DJED CC[C@@H](NCc1cc(Cl)ccc1OCC#N)C1CCCCC1 1616636454 MOLDTNLGTKYDKB-QGZVFWFLSA-N 320.864 4.691 30 20 DJED Cc1ccc(-c2csc(COc3ccc(C#N)cc3)n2)cc1 1643452856 OTMCOVKAERQULC-UHFFFAOYSA-N 306.390 4.569 30 20 DJED CC[C@H](NCc1ccc(Cl)cc1C#N)c1ccc(C)c(F)c1 1645131138 XONYEJPQIFFTCC-SFHVURJKSA-N 316.807 4.900 30 20 DJED N#Cc1ccccc1SCc1cc(O)cc(C(F)(F)F)c1 1651815710 JWKUVMHBNKKWMW-UHFFFAOYSA-N 309.312 4.575 30 20 DJED CN(Cc1ccc(Cl)cc1C#N)[C@H]1CCC[C@@H]1c1ccccc1 1653848650 WJSKFNZHYXIRIG-UXHICEINSA-N 324.855 4.980 30 20 DJED CCc1ccc(CN2CCC(c3ccc(C#N)cc3)CC2)cc1 1654932878 SSFXEULMHFUAKQ-UHFFFAOYSA-N 304.437 4.500 30 20 DJED CCCOc1cccc(COc2ccc(C#N)c(Cl)c2)c1 1656474699 VQYAGPYGNDKJGM-UHFFFAOYSA-N 301.773 4.579 30 20 DJED Cc1cc(Cl)ccc1CN(Cc1ccc(C#N)cc1)C1CC1 1657912621 PDNAJCSIPRGXEZ-UHFFFAOYSA-N 310.828 4.685 30 20 DJED CC[C@@H](Cc1ccccc1)N[C@@H]1CCCc2cc(C#N)ccc21 1659476382 XTSYMJCRMZSTFC-PZJWPPBQSA-N 304.437 4.547 30 20 DJED C=C(CNC(=O)N[C@H](C)c1cccc(C2CC2)c1)c1ccccc1 1682888041 AGSUUIBRGARCEN-MRXNPFEDSA-N 320.436 4.638 30 20 DJED CCCCC1CCC(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 26128043 SMPLTFYITJMFQZ-LYGPFTKASA-N 312.457 4.732 30 20 DJED Cc1sc2ncnc(Nc3ccc(C(C)(C)C#N)cc3)c2c1C 26723988 LLFCUEVPEXWFGJ-UHFFFAOYSA-N 322.437 4.853 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1cc(Cl)ccc1F 43528066 AECWYKSLCHMMDL-UHFFFAOYSA-N 324.808 4.761 30 20 DJED CCC(C#N)(CC)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 44765233 WQEYHXNPBJMEQD-SNVBAGLBSA-N 313.228 4.501 30 20 DJED C[C@@H](Nc1ncccc1C#N)c1cc(F)c(Cl)cc1Cl 46228727 SCZJYCVCGQACAT-MRVPVSSYSA-N 310.159 4.572 30 20 DJED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(C)cc(C)c1 56541896 SPNAPIUGEJFIQG-UHFFFAOYSA-N 324.424 4.532 30 20 DJED CC[C@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 57375773 OLYWOPRIZCVJLS-ZDUSSCGKSA-N 308.381 4.644 30 20 DJED O=C(/C=C/c1csc([N+](=O)[O-])c1)c1ccc2ccccc2c1 59404720 OVWMAKIKKQXSOC-VMPITWQZSA-N 309.346 4.706 30 20 DJED C=CCCO[C@H](C)C(=O)N(CCC)c1cccc2ccccc12 63956223 XADGPDQRXHGTSD-MRXNPFEDSA-N 311.425 4.564 30 20 DJED N#C[C@@H](C(=O)CC1=CCCCC1)c1nc(-c2ccccc2)cs1 106985219 CCJCSJNCSJEBPY-INIZCTEOSA-N 322.433 4.877 30 20 DJED CCC[C@H](CC)NC(=O)Nc1ccccc1SC[C@H](C)C#N 108533167 PEMASQMVVSMFIV-KGLIPLIRSA-N 319.474 4.639 30 20 DJED C=C(Cl)CNC(=O)c1sc2cc(Cl)ccc2c1Cl 134809191 IWYXCLJEUCLXDF-UHFFFAOYSA-N 320.628 4.690 30 20 DJED N#Cc1ccccc1-c1ccc(Cn2cnc3ccccc32)cc1 138729877 ATSRIGZYDGCANL-UHFFFAOYSA-N 309.372 4.623 30 20 DJED CC(C)CCN(CCC#N)Cc1csc(-c2ccsc2)n1 173540437 ZRPOCDJRWQSBMN-UHFFFAOYSA-N 319.499 4.633 30 20 DJED CC(C)(CCC#N)CNCC(c1ccccc1)c1ccccc1 174242901 IPQYPFPBUMEEBJ-UHFFFAOYSA-N 306.453 4.738 30 20 DJED N#Cc1ccc(CN[C@@H](c2ccccc2)c2ccc(F)cc2)s1 176956518 YWMNLDRUKARKEL-IBGZPJMESA-N 322.408 4.638 30 20 DJED COc1cc(C#N)ccc1CS[C@H](C)c1nc2ccccc2o1 183457750 BHMWPOWTLOJBKF-GFCCVEGCSA-N 324.405 4.702 30 20 DJED CCCCSc1ccc(Cl)cc1C(=O)NCCCCC#N 183776030 ZOUHXAUYUMBUIG-UHFFFAOYSA-N 324.877 4.656 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)C[C@H]1CCC[C@H]1C 249023799 REAFNBPDCVWUKK-RBSFLKMASA-N 316.470 4.703 30 20 DJED C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1cc2ccccc2s1 302209727 YKFQKASHWSDXIO-LLVKDONJSA-N 323.377 4.854 30 20 DJED Cc1sccc1C(=O)Nc1cc(C(C)(C)C)sc1C#N 410616323 GBOHUUUKIXZROI-UHFFFAOYSA-N 304.440 4.540 30 20 DJED Cc1ccc(C[S@](=O)CCC2(C#N)CCCCC2)c(Cl)c1 417159429 GSHBJDDAKAPTFI-OAQYLSRUSA-N 323.889 4.761 30 20 DJED C[C@@H](c1ccc2c(c1)CCC2)[S@](=O)CCCCC(C)(C)C#N 417206281 JPRBQIYNSZHEMW-OYHNWAKOSA-N 317.498 4.705 30 20 DJED C=CC[C@@H](C(=O)Nc1cccc2ccc(O)cc12)c1ccccc1 427620391 GZZNXQIOCNVVNS-GOSISDBHSA-N 317.388 4.844 30 20 DJED Cc1ccccc1NC(=O)c1cn(CCCC#N)c2ccccc12 436451019 RVPNDHXNVDTVHA-UHFFFAOYSA-N 317.392 4.506 30 20 DJED C[C@@H](SCCOc1ccccc1F)c1cccc(C#N)c1 442743315 ZGQKJSVIZGGVSK-CYBMUJFWSA-N 301.386 4.571 30 20 DJED N#C[C@@H]1CC[C@H](Nc2ccccc2COCc2ccccc2)C1 442867388 OHDOPZHYKBPJCB-MJGOQNOKSA-N 306.409 4.508 30 20 DJED Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(C(C)C)cc1C(C)C 448697144 ADBQISDBZTYOGJ-UHFFFAOYSA-N 309.413 4.694 30 20 DJED C=CCC1(C(=O)N2CCC(c3cccc(Cl)c3)CC2)CCC1 478244693 UBLCBIKSKAKQLZ-UHFFFAOYSA-N 317.860 4.792 30 20 DJED C=CCCC1(C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)CC1 483801306 QMWAEXPYCUIJMP-CQSZACIVSA-N 320.502 4.841 30 20 DJED C=C[C@H](CC(=O)N[C@@H](C)[C@H](C)c1ccccc1)c1ccccc1 536171978 WVXVNRMBTFSIFC-OKZBNKHCSA-N 307.437 4.655 30 20 DJED N#CC1(NC(=O)CCCc2ccc3ccccc3c2)CCCCC1 539395563 RFZDMWPOAHUQSY-UHFFFAOYSA-N 320.436 4.505 30 20 DJED C=C[C@@H](Cc1nc(-c2cccc3[nH]ccc23)no1)c1ccccc1 544945072 XMMLBFDMWDFFEF-AWEZNQCLSA-N 315.376 4.730 30 20 DJED C=C(C)CCNc1ccc(CC(=O)N(CC)c2ccccc2)cc1 558267678 OBOCIZQQCZJYIX-UHFFFAOYSA-N 322.452 4.660 30 20 DJED C[C@@H](c1ccccc1)N(C(=O)c1ccc(C#N)c(Cl)c1)C1CC1 561253681 BVEBSDRJKQCFRJ-ZDUSSCGKSA-N 324.811 4.577 30 20 DJED CN(C(=O)c1sccc1C#N)c1ccccc1-c1ccccc1 604523614 KHQYZHWIYHDBKZ-UHFFFAOYSA-N 318.401 4.563 30 20 DJED C=CCCCCCN(C)C(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 606816408 VXCSNBOJGLKIBZ-RDJZCZTQSA-N 303.446 4.540 30 20 DJED C[C@H]1C[C@H](N[C@H](C)c2cccc(C#N)c2)c2ccsc2S1 610829945 SVNJLWYMEJWVGZ-OZVIIMIRSA-N 314.479 4.896 30 20 DJED CC[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)cc1 618807680 VTUVHBANHVHRLO-RTBURBONSA-N 310.828 4.940 30 20 DJED COc1cc(/C=C2\Cc3ccc(C)cc3C2=O)ccc1SC 730948507 GBDJOUHZKQQCNV-OQLLNIDSSA-N 310.418 4.548 30 20 DJED C=CCN(CC1CCCCC1)C(=S)N[C@H](C)c1ccccc1 732624907 GGKZQSFOMQUYMD-MRXNPFEDSA-N 316.514 4.690 30 20 DJED O=C1/C(=C/c2cc(F)ccc2F)CCOc2c(Cl)cccc21 733748767 JBNLHNBKYLERPS-CSKARUKUSA-N 320.722 4.667 30 20 DJED C=CCCCCCN(C)C(=O)c1ccc(SC(F)F)cc1 739655981 XSZABJVXXYTSRI-UHFFFAOYSA-N 313.413 4.820 30 20 DJED CCc1cccc2c(/C=C/C(=O)c3ccc4c(c3)COC4)c[nH]c12 742436696 MYNJGPFDNJEDKD-CMDGGOBGSA-N 317.388 4.657 30 20 DJED COc1ccc(C)cc1C(=O)/C=C\c1ccc(OC(F)F)cc1 747168817 YHQVJCPPYRVBSI-TWGQIWQCSA-N 318.319 4.501 30 20 DJED O=C(/C=C/c1cnc(-c2cccs2)s1)c1ccc(F)cc1 751511993 FEFYZEKDEKANCN-BQYQJAHWSA-N 315.394 4.907 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)C(F)=C1CCCC1 763045896 ZKDDPVFQMOUWJA-GFCCVEGCSA-N 318.417 4.817 30 20 DJED Cc1cc(NN=C2CC(C(F)F)C2)nc2ccc(Cl)cc12 766015860 OSWBAOPGLBHLRW-UHFFFAOYSA-N 309.747 4.640 30 20 DJED O=C(/C=C\c1nc2c(s1)CCCC2)c1cccc(Cl)c1 776263263 QBHUMJAAYRCHDE-HJWRWDBZSA-N 303.814 4.571 30 20 DJED C#CCCCCCC(=O)N1CCCCC[C@@H]1c1ccc(CC)o1 779959642 WDYSSSUMJHSIDK-GOSISDBHSA-N 315.457 4.869 30 20 DJED C#CCC1(C(=O)N2CCc3sccc3[C@@H]2CC)CCCCC1 788430604 ACWGGUFPKWMJMO-INIZCTEOSA-N 315.482 4.558 30 20 DJED CCc1ccc(C(=O)/C=C\c2cscc2Br)o1 794701499 LXWIXUTUCYDIOL-HYXAFXHYSA-N 311.200 4.562 30 20 DJED C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1scc(C)c1C#N 809002113 ZAOBZFFIRWDZNI-JXMROGBWSA-N 316.813 4.624 30 20 DJED C[C@H](Nc1ccc(OC(F)(F)F)c(C#N)c1)c1ccccc1F 864012061 OYGDYABILYCRIX-JTQLQIEISA-N 324.277 4.769 30 20 DJED COc1ccc(CNc2cccc(C(F)(F)F)c2C)cc1C#N 864018866 ATMRUCAOYCYZND-UHFFFAOYSA-N 320.314 4.506 30 20 DJED COc1cc(F)ccc1N=Cc1cc(Cl)cc(Cl)c1O 914558052 QMIBHVZHWGYVLP-UHFFFAOYSA-N 314.143 4.597 30 20 DJED Oc1cccc(C=Nc2ccc3c(c2)oc2ccccc23)c1O 915271035 HMSXTQPFRKKWGG-UHFFFAOYSA-N 303.317 4.748 30 20 DJED CCC/C(C)=C\C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 920323782 JRLLHAXAYOBMIB-WVUXNXBLSA-N 310.422 4.733 30 20 DJED N#Cc1ccc(C(F)(F)F)nc1Nc1ccc(C2CC2)cc1 1201675638 UWJDQHSCBBWNAH-UHFFFAOYSA-N 303.287 4.593 30 20 DJED CC(C)[C@H]1CCC[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1 1215837686 CEYIQFAONWJHAB-KBPBESRZSA-N 319.836 4.548 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2ccc(C)c3ccccc23)c1 1275797450 WMPSLUZHXLLJEP-UHFFFAOYSA-N 300.361 4.581 30 20 DJED CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCCc3c(F)cccc32)n1 1307131986 PTGGMMJPERWZON-QGZVFWFLSA-N 323.415 4.879 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)CC(C)C)n1 1307283516 OZWXGFJXAYVYTF-SNVBAGLBSA-N 302.365 4.807 30 20 DJED Cc1ccc(C)c([C@H]2CCCN2CCc2ccc(C#N)cc2)c1 1307580875 YJMYZSFGPZGGIM-OAQYLSRUSA-N 304.437 4.555 30 20 DJED CC(C)[C@H]1CCc2c(sc(NC(=O)[C@H](C)C(C)C)c2C#N)C1 1436522721 GIYFOQANNOEBQJ-OLZOCXBDSA-N 318.486 4.611 30 20 DJED CCCn1c(SCC2(C#N)CCC2)nc2cc(Cl)ccc21 1458826288 SGJYUUGMKFDPBK-UHFFFAOYSA-N 319.861 4.886 30 20 DJED Cc1cccc(SCc2ccc(C#N)cc2OC(F)F)c1 1458920959 KRDYSCPTNYFUMT-UHFFFAOYSA-N 305.349 4.760 30 20 DJED CC(C)(C#N)CCN(CCc1ccc(F)cc1)C1CCCC1 1459769510 NGJQSXYIXXUKNW-UHFFFAOYSA-N 302.437 4.553 30 20 DJED Cc1ccc(C)c(C2CCN(Cc3cccc(C#N)c3F)CC2)c1 1460896473 MTIGCFJIFBWBAN-UHFFFAOYSA-N 322.427 4.694 30 20 DJED Cc1c(Cl)cnc(NCC(C)(C)Cc2ccccc2)c1C#N 1472695634 CTRMXYXGFFJQPG-UHFFFAOYSA-N 313.832 4.596 30 20 DJED N#Cc1ccccc1-c1ccc(CN2CCC[C@H]3CCC[C@H]32)cc1 1473171572 BKZRWQOXWSMHFV-DENIHFKCSA-N 316.448 4.990 30 20 DJED CCCCC1CCC(C(=O)N(CCC#N)C(C)(C)CC)CC1 1523892534 ZMSUQNDTOGXMGU-UHFFFAOYSA-N 306.494 4.914 30 20 DJED Cc1ccc(C)c(CC(=O)Nc2cc3ccccc3cc2C#N)c1 1528748160 QQIBUQJGGWIPDP-UHFFFAOYSA-N 314.388 4.510 30 20 DJED N#CC1(CC(=O)Nc2ccc3c(c2)CCCCC3)CCCCC1 1530742179 OMPYVCZITUMYQX-UHFFFAOYSA-N 310.441 4.758 30 20 DJED CC(C)[C@H](Cc1ccccc1)C(=O)O[C@H](C)c1cccc(C#N)c1 1544194382 QEKPBXYFXSPGFI-UZLBHIALSA-N 321.420 4.677 30 20 DJED CCCC[C@@H](C(=O)N[C@H](CCC#N)c1ccccc1)C(C)C 1545081834 CWIBWNJLABGNEV-QZTJIDSGSA-N 300.446 4.610 30 20 DJED CCc1ccccc1CCN(Cc1ccc(C#N)cc1)C(C)C 1615327158 SUSLKXKSNKJUGJ-UHFFFAOYSA-N 306.453 4.574 30 20 DJED Cc1c(Cl)cnc(N[C@@H]2CCc3c(Cl)cccc32)c1C#N 1650673731 AWYDJNHAGDXNRV-OAHLLOKOSA-N 318.207 4.668 30 20 DJED CCCCN(Cc1ccc(C#N)cc1OC)[C@@H]1CCC[C@H](C)C1 1654582766 NXHRIFBVNGUIEG-QFBILLFUSA-N 314.473 4.748 30 20 DJED Cc1cc(NCC2(Sc3ccccc3)CCCC2)ncc1C#N 1655101453 NMEQLRJYSGSMKU-UHFFFAOYSA-N 323.465 4.779 30 20 DJED N#Cc1nc(Oc2cc(C(F)(F)F)ccc2F)sc1Cl 1655575898 RRBWUUWFFCFPEC-UHFFFAOYSA-N 322.670 4.618 30 20 DJED CCCCN(Cc1ccc(C#N)c(OC)c1)C1CCCCC1 1659882541 UTTYRGVHLULORY-UHFFFAOYSA-N 300.446 4.502 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccc(Cl)cc2Cl)cc1 33863271 WNBDILDTZSNVAS-VURMDHGXSA-N 302.160 4.761 30 20 DJED Cc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)c1 66800359 NNLPZRUNMXDOLF-OAHLLOKOSA-N 324.449 4.950 30 20 DJED C=CCc1ccccc1OCc1csc([C@H](C)OCC)n1 76695156 GCPXUGZSGGDVQQ-ZDUSSCGKSA-N 303.427 4.548 30 20 DJED CCCc1ccccc1NC(=O)N[C@@H](CCC#N)c1ccccc1 160114441 KVZGWAIQKGPDTC-IBGZPJMESA-N 321.424 4.806 30 20 DJED C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1nc(-c2ccccc2)cs1 185817734 NVALAVZKTPXKLY-OFQRWUPVSA-N 311.454 4.543 30 20 DJED CC(C)(CCC#N)CN[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 280581899 HQJLMJJPSMZXQX-KOMQPUFPSA-N 324.390 4.871 30 20 DJED CSc1ccc(C)c(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1 281131461 IXCDYKKJGBSOBC-UHFFFAOYSA-N 324.449 4.770 30 20 DJED C[C@@H](N[C@H](C)c1ccc2c(c1)CCCC2)c1cccc(C#N)c1 320008846 DWUJDTZCOCKPHT-HZPDHXFCSA-N 304.437 4.849 30 20 DJED CC[C@H](C)Oc1cccc(NC2CC(C#N)(c3ccccc3)C2)c1 325685731 IIVZFSVMNCRZLX-YQHFOJDRSA-N 320.436 4.900 30 20 DJED N#C[C@@H]1CCC[C@@H]1/N=C(/O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 330053638 QSFUQHLBYZLTKO-OKYOBFRVSA-N 304.393 4.592 30 20 DJED CC(C)(CC#N)CNC(c1ccc(F)cc1)c1ccc(F)cc1 414166946 OKXHFKHHOJWQJH-UHFFFAOYSA-N 314.379 4.584 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1c(CC)cc(C)cc1CC 435181678 NLDXOEFCMPBYRJ-KRWDZBQOSA-N 300.446 4.692 30 20 DJED Cc1oc(-c2ccccc2)c(C(=O)Nc2cccc(C#N)c2)c1C 435836512 QFUVCWOIRTVNKT-UHFFFAOYSA-N 316.360 4.687 30 20 DJED CC(C)(C#N)CCCCSCc1ccc(-n2cccn2)cc1 435884672 VSCNZMLRZFYBGC-UHFFFAOYSA-N 313.470 4.826 30 20 DJED C[C@@H](SCc1nc(C2CC2)cs1)c1cccc(C#N)c1 443144702 LHNZYZDRQQRASF-LLVKDONJSA-N 300.452 4.887 30 20 DJED C[C@H](C(=O)N[C@H](C)CCC1CCCCC1)c1cccc(C#N)c1 462073744 LYRYDGOJDBYYGM-CVEARBPZSA-N 312.457 4.527 30 20 DJED CCCN(Cc1cc(C#N)n(C)c1)[C@H](C)c1cc2ccccc2o1 483276020 CKZUSJUMUXBIAB-OAHLLOKOSA-N 321.424 4.616 30 20 DJED C=CCCO[C@@H](C)C(=O)N(C1CCCC1)[C@@H](C)c1ccccc1 485466950 OCBOVXUXDWUYNZ-IRXDYDNUSA-N 315.457 4.500 30 20 DJED C[C@H](c1ccccc1)N(C(=O)c1ccc(C#N)cc1)C1CCCC1 485471984 UXDZKSOETVOZEQ-MRXNPFEDSA-N 318.420 4.704 30 20 DJED C[C@@H](SCc1ccc(C#N)cc1F)c1ccc(F)cc1F 498126408 SPZFNNZWZCYQAU-SNVBAGLBSA-N 307.340 4.970 30 20 DJED CCc1cc(C#N)c(NC(=O)C[C@@H](CC)c2ccccc2)s1 504311244 IBXYMVJOLVQFBO-CYBMUJFWSA-N 312.438 4.705 30 20 DJED CCN(Cc1cccc(OCCCC#N)c1)C1CCCCC1 505249759 VFLLCEJZBJNWRD-UHFFFAOYSA-N 300.446 4.524 30 20 DJED N#CCCCOc1cccc(NC/C=C/c2ccc(F)cc2)c1 533361400 JDABYHIKYJLYMF-SNAWJCMRSA-N 310.372 4.634 30 20 DJED Cc1nc(SCc2ccc(CC#N)cc2)n(CC(C)C)c1C 543142459 DKIDSHLESCDWHL-UHFFFAOYSA-N 313.470 4.514 30 20 DJED COc1ccc([C@H](N[C@H]2CCc3ccc(C#N)cc32)C(C)C)cc1 562096867 WYKHSYLHINDOCE-LEWJYISDSA-N 320.436 4.541 30 20 DJED COc1cc(Cl)c(Cl)cc1NCCCC(C)(C)C#N 573377048 XTCIIQDUGYIADV-UHFFFAOYSA-N 301.217 4.744 30 20 DJED CC(C)(CC#N)CSc1nnc(CCC2CCCCC2)o1 580216671 CCHMAPLXLDXXAV-UHFFFAOYSA-N 307.463 4.614 30 20 DJED CC(C)COc1ccc(NC(=O)CCCCCC#N)cc1Cl 588149605 HVJIBINSPJRAQJ-UHFFFAOYSA-N 322.836 4.787 30 20 DJED Cc1ccccc1[C@H]1CCCN1C(=O)CC1(C#N)CCCCC1 596854830 RYZPYJWNZBSGSO-GOSISDBHSA-N 310.441 4.523 30 20 DJED C[C@H](CC(=O)N(Cc1ccc(C#N)cc1)C1CC1)CC(C)(C)C 603871638 VOINVJOSAMPOAC-OAHLLOKOSA-N 312.457 4.512 30 20 DJED CCCCC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 603990959 IJXYROQJZDWPOJ-UHFFFAOYSA-N 310.422 4.514 30 20 DJED CN(Cc1ccc(C#N)s1)Cc1ccc(Cl)cc1Cl 611252232 ALNLJNSXJNJBOQ-UHFFFAOYSA-N 311.237 4.559 30 20 DJED C=CCN(C(=O)Nc1cccc(-c2cccs2)c1)C(C)C 726079091 ZJHYZBIRBKIVAS-UHFFFAOYSA-N 300.427 4.843 30 20 DJED COc1ccc(/C=C2\Cc3c(ccc(Cl)c3Cl)C2=O)cc1 729149141 CDBNEGSFZIOEPN-DHZHZOJOSA-N 319.187 4.824 30 20 DJED COc1ccc(/C=C2/Cc3cc(F)ccc3C2=O)c2ccccc12 734305215 MIQJGXHDAVZPIX-GDNBJRDFSA-N 318.347 4.810 30 20 DJED COc1ccc(C)cc1C(=O)/C=C\c1cnc(C(C)(C)C)s1 736433355 SOKWYDKYWJEEIP-FPLPWBNLSA-N 315.438 4.654 30 20 DJED CCCOc1ccc(C(=O)/C=C\c2nccc3ccccc23)cc1 740764552 YIUPCVJYYGXQCX-QXMHVHEDSA-N 317.388 4.920 30 20 DJED C#Cc1cccc(NC(=S)Nc2cccc3ccsc23)c1 752788826 JPSZDGYOTZUPPS-UHFFFAOYSA-N 308.431 4.692 30 20 DJED Cc1ccc2cc(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)oc2c1 754828130 FBUITZPVZQSMKX-UITAMQMPSA-N 307.305 4.546 30 20 DJED C[C@@H](CC=NNc1cccc(C(F)(F)F)n1)c1ccccc1 755740892 YRPAZGWVLJNRGN-LBPRGKRZSA-N 307.319 4.692 30 20 DJED C#CC[C@H](NCc1csc(-c2ccccc2)n1)c1ccccc1 756996069 NFIVCKOLXBIVSV-IBGZPJMESA-N 318.445 4.664 30 20 DJED C#CCCN1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 760864232 WUCHOSZOHZAPMB-KRWDZBQOSA-N 308.425 4.625 30 20 DJED CC(C)c1ncc(/C=C2\C(=O)c3cccc4c3[C@H]2CCC4)s1 763288253 GVXFBECJYNHXBY-CIKBWMHTSA-N 309.434 4.966 30 20 DJED C#CCC(C)(C)C(=O)Nc1ccc(OCc2ccccc2)cc1C 767090622 BRYRNBCROWGCLI-UHFFFAOYSA-N 321.420 4.562 30 20 DJED COc1ccc(/C=C/C(=O)c2ccco2)cc1OCCC(C)C 769769674 BZYHSTCBYBUSDV-SOFGYWHQSA-N 314.381 4.609 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2cccc(Cl)c2Cl)c(F)c1 772804106 BGWVZGNUXYBDEX-SREVYHEPSA-N 320.150 4.900 30 20 DJED COc1ccccc1[C@@H](NCc1ccc(C#N)cc1)C1CCCC1 774393133 MONCHITWWPRSER-NRFANRHFSA-N 320.436 4.588 30 20 DJED CC(=NNc1cc(Cl)ccn1)c1cc(Cl)sc1Cl 777905917 CDWWMVFPRWICIZ-UHFFFAOYSA-N 320.632 4.939 30 20 DJED C=CC[C@@H](C(=O)O[C@@H](C)c1cccc(C#N)c1)c1ccccc1 778631578 IKWZGJUCCMJGEM-HNAYVOBHSA-N 305.377 4.522 30 20 DJED COc1ccc(C(=O)/C=C/c2cc(C)c3ncccc3c2)cc1F 783702064 QRFYTWYAZWRFGS-FNORWQNLSA-N 321.351 4.587 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C/c1cnc(-c3ccco3)s1)C2 789141952 IICBUXCAPZYWHQ-UKTHLTGXSA-N 307.374 4.534 30 20 DJED C=CCCCCCCNC(=O)N(C)[C@@H](C)c1sc(C)nc1C 806005211 DCAMGDDPTRFUSF-AWEZNQCLSA-N 323.506 4.599 30 20 DJED Cc1cccc2c(N3Cc4cccc(Cl)c4C3)c(C#N)cnc12 808086166 XHJSQPDROITIFE-UHFFFAOYSA-N 319.795 4.589 30 20 DJED C#C[C@H](NCc1cc2cc(F)ccc2o1)c1ccc(Cl)cc1 811516933 YREKWJNNPZXKOJ-KRWDZBQOSA-N 313.759 4.689 30 20 DJED Cc1ccc(NC(=S)N(C)[C@@H](C)c2cccc(C#N)c2)c(C)c1 819028507 LXNKXBKUCIYMDW-HNNXBMFYSA-N 323.465 4.565 30 20 DJED N#CCCCC(=O)O[C@@H](c1ccc2ccccc2c1)C(F)(F)F 851583678 NOADGMICZKQUJZ-INIZCTEOSA-N 321.298 4.680 30 20 DJED Oc1ccc(C2CCC(=NNc3ccnc(Cl)c3)CC2)cc1 853395059 JFFLGRJROHJHPL-UHFFFAOYSA-N 315.804 4.566 30 20 DJED CC(C)n1cncc1/C=C\C(=O)c1ccc(SC(F)F)cc1 901476857 KZKSANZJTUYNPF-YVMONPNESA-N 322.380 4.675 30 20 DJED C=C[C@](C)(CC)c1nc(-c2ccc(N3CCCCC3)cc2)no1 904613691 FIIJTCUDVADSBT-LJQANCHMSA-N 311.429 4.581 30 20 DJED CCCCCCCCC(=O)Nc1ccc(C(=O)NC(C)C)cc1 917779937 QRIIDGIXBRBLPJ-UHFFFAOYSA-N 318.461 4.514 30 20 DJED CCCCCCCC(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 917844071 UDCZNSHRZLZTFR-IEBWSBKVSA-N 321.436 4.523 30 20 DJED Cc1ccccc1C(NCC1(CC#N)CC1)c1ccccc1C 1169031909 DITCIQRLKRWQSC-UHFFFAOYSA-N 304.437 4.676 30 20 DJED Cc1cccc(-c2nsc(N[C@@H](C)c3ccc(C#N)cc3)n2)c1 1185046902 WZAFXXRCRUGSRV-ZDUSSCGKSA-N 320.421 4.558 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2Nc1nc2cccc(F)c2s1 1307143400 INMMXSKQDKKVGK-OAHLLOKOSA-N 323.396 4.797 30 20 DJED CCCc1c(NC[C@@H](C)CC(C)C)cnn1-c1cccc(C#N)c1 1308700666 UCGZFODUEGUWEP-INIZCTEOSA-N 324.472 4.791 30 20 DJED N#Cc1ccc(-c2nnc([C@@H]3CC[C@H]4CCCC[C@@H]4C3)o2)cc1 1345515030 YJKKGWRFDBIMLS-DJIMGWMZSA-N 307.397 4.682 30 20 DJED CCCCc1ccc([C@@H](NC(=O)CC(C)(C)C#N)C(C)C)cc1 1348959639 ZTWNIGCUOUJBEQ-IBGZPJMESA-N 314.473 4.782 30 20 DJED C[C@H]1CCC[C@H](OC(=O)c2ccccc2-c2ccccc2C#N)C1 1349839579 FEKGBIRVKMALHC-RDJZCZTQSA-N 319.404 4.961 30 20 DJED N#Cc1cccc(C(=O)NCc2ccc(C3CCCCC3)cc2)c1 1436432273 CJPAZNCYWYPSSK-UHFFFAOYSA-N 318.420 4.536 30 20 DJED CC1(C)CC(CNC(=O)CC2(C#N)CCCCC2)CC(C)(C)C1 1437495985 MSECUDBMXNQVNV-UHFFFAOYSA-N 318.505 4.819 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCCCC1(C)C 1444280755 NCRDHILDQAIOCL-HNNXBMFYSA-N 313.445 4.535 30 20 DJED CC(C)c1cc(N[C@H](C)c2cccc(C#N)c2)nc(C(C)C)n1 1472875668 GAEAWPUCVIWESA-CQSZACIVSA-N 308.429 4.768 30 20 DJED CCC[C@H](CC(C)C)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 1520448336 IYWCQNHNLAZKLR-GOSISDBHSA-N 312.457 4.512 30 20 DJED C[C@@H]1c2c(sc(NC(=O)c3ccsc3)c2C#N)CC[C@H]1C 1527166697 YXEHQNYAIJWMGU-ZJUUUORDSA-N 316.451 4.619 30 20 DJED Cc1cccc(-c2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 1530022788 WGUILUOCXSQRQQ-UHFFFAOYSA-N 312.372 4.786 30 20 DJED CCCCC1CCC(C(=O)NC2(c3cccc(C#N)c3)CC2)CC1 1539838526 HFTPMVUAZUKEFH-UHFFFAOYSA-N 324.468 4.660 30 20 DJED Cc1ccc(CN(CCOc2ccccc2C#N)C(C)(C)C)cc1 1620442917 JEBAIMTUAAICMU-UHFFFAOYSA-N 322.452 4.546 30 20 DJED Cc1ccc([C@H]2CCCCCN2Cc2ccc(F)c(C#N)c2)o1 1641850936 DAKPIFYSJXMDCI-GOSISDBHSA-N 312.388 4.716 30 20 DJED N#Cc1ccc(Oc2ccc(Nc3ncc(Cl)cn3)cc2)cc1 1650696196 UDVRJOGARJKHHF-UHFFFAOYSA-N 322.755 4.538 30 20 DJED Cc1c(Cl)cnc(N(CCC(C)C)CCC(C)C)c1C#N 1651360034 LTDQFANBIIOVMY-UHFFFAOYSA-N 307.869 4.814 30 20 DJED Cc1cc(CN[C@H]2CCC(C)(C)c3ccccc32)ccc1C#N 1655566227 RYMCGSZHHGIDQQ-FQEVSTJZSA-N 304.437 4.769 30 20 DJED Cc1ccc(C2(CNCc3ccc(C#N)cc3)CCCC2)c(C)c1 1662544083 NNVQJIVBJOPJRC-UHFFFAOYSA-N 318.464 4.777 30 20 DJED CC1(C)CN(Cc2cccc(F)c2C#N)c2cccc(Cl)c21 1664247958 IXIFULZIHRZDGG-UHFFFAOYSA-N 314.791 4.649 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(SC)cc1 43855797 JUSLSATYKMTAHL-UHFFFAOYSA-N 312.438 4.629 30 20 DJED C[C@@H](SCCOc1ccccc1C#N)c1ccccc1F 60522141 OPBJSNZKBSIEBM-CYBMUJFWSA-N 301.386 4.571 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)Nc2cccc3[nH]ccc23)cc1 172212061 SCBIBGXLTHFXBJ-UHFFFAOYSA-N 318.380 4.613 30 20 DJED N#CCCCCN[C@H](CCc1ccccc1)Cc1ccccc1 178648054 QTVPIAGZUCOVPC-OAQYLSRUSA-N 306.453 4.514 30 20 DJED COc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1OC(C)C 185986882 BNUKXQMTNJNZOY-AWEZNQCLSA-N 310.397 4.527 30 20 DJED C(=NNc1ccccc1)c1cccc(C=NNc2ccccc2)c1 254578188 QFWOILTZMJENKD-UHFFFAOYSA-N 314.392 4.579 30 20 DJED C=CCn1c(SCC)nnc1-c1ccc(C(C)(C)C)cc1 255933047 BYDVNZOGJFXQJQ-UHFFFAOYSA-N 301.459 4.541 30 20 DJED CSc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)cc1 281620627 NSKBHCOJEDPXJI-QWHCGFSZSA-N 314.429 4.831 30 20 DJED CC(C)c1ccc(-c2nnc(S[C@H]3CC[C@@H](C#N)C3)o2)cc1 296100263 UOBWSNUGPZITHB-DOMZBBRYSA-N 313.426 4.644 30 20 DJED CCCOc1ccc([C@@H](C)Nc2ccc(OCC#N)cc2)cc1 320233458 XJLZTMAHBGBBFL-OAHLLOKOSA-N 310.397 4.551 30 20 DJED CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1CC#N 410970182 QRFKZTUZEZUQHK-WFASDCNBSA-N 304.821 4.561 30 20 DJED CC1(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCC1 426970055 ATDXEKBLOZERTF-UHFFFAOYSA-N 324.355 4.618 30 20 DJED Cc1cccc(N(C(=O)c2cccc(SCC#N)c2)C(C)C)c1 429794789 PQMTYESPKPBEML-UHFFFAOYSA-N 324.449 4.666 30 20 DJED C=CCN(C(=O)[C@H](C)CCc1ccccc1F)c1ccccc1 443810338 MKPICSALZLJFOD-MRXNPFEDSA-N 311.400 4.614 30 20 DJED CC[C@H](NCc1csc(-c2ccco2)n1)c1ccc(C#N)cc1 447586983 PMMSJEVTKPSFGW-INIZCTEOSA-N 323.421 4.516 30 20 DJED N#Cc1csc(CN[C@@H](c2ccc(F)c(Cl)c2)C2CC2)c1 449454589 ZVPFJRMVDKLKCZ-MRXNPFEDSA-N 320.820 4.653 30 20 DJED C=CCC1(C(=O)N2CCc3sccc3[C@H]2CC)CCCC1 459993102 UFERNEGHNDTCSV-OAHLLOKOSA-N 303.471 4.720 30 20 DJED N#CC[C@H](CC(=O)N[C@@H]1CCCCC12CCCC2)c1ccccc1 462406188 HNGJYQOKGBXNQA-RTBURBONSA-N 324.468 4.693 30 20 DJED Cc1cc(C)cc([C@@H](C)NC(=O)C[C@H](CC#N)c2ccccc2)c1 475761837 RWDMJHJEZPWQJH-MJGOQNOKSA-N 320.436 4.568 30 20 DJED Cc1cccc([C@H](C)NC(=O)c2ccc(C(C)(C)C#N)cc2)c1C 476066176 XIVKHYKMSFJHGS-INIZCTEOSA-N 320.436 4.596 30 20 DJED C[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccc(C#N)cc1 481654369 VETVHJOXDAVXAZ-VFNWGFHPSA-N 315.420 4.548 30 20 DJED C=CCC[C@@H](NC(=O)N1Cc2ccc(C)cc2C1)c1ccccc1 483258120 JOFSCQFKKJNHDD-HXUWFJFHSA-N 320.436 4.728 30 20 DJED CCCC(C#N)(CCC)NC(=O)c1ccc(F)c2ccccc12 483824167 RVKCJPFEFXCVFH-UHFFFAOYSA-N 312.388 4.571 30 20 DJED C=C[C@H](CC(=O)N(c1ccccc1OC)C(C)C)c1ccccc1 484910052 OCCFOKTUWKVXSC-QGZVFWFLSA-N 323.436 4.797 30 20 DJED Cc1ccccc1[C@@H](CC(C)C)NC(=O)C1(C#N)CCCCC1 485598395 KCSVOJNGVYMHSJ-GOSISDBHSA-N 312.457 4.673 30 20 DJED CCC[C@H](CC1CCCC1)C(=O)N(C)Cc1cccc(C#N)c1 499397208 WIFJWMKIPHTMSC-LJQANCHMSA-N 312.457 4.513 30 20 DJED C[C@H](CC(=O)N[C@@H](C#N)c1ccccc1Cl)C1CCCCC1 499931975 LXACPCRKNKQSDI-DYVFJYSZSA-N 318.848 4.627 30 20 DJED CSc1ccc([C@H](C)NCc2ccc(Cl)cc2C#N)cc1 500216222 DXKSNIKRCIGPLF-LBPRGKRZSA-N 316.857 4.784 30 20 DJED CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 505557370 IYZODXAPLKMXIN-YOEHRIQHSA-N 313.445 4.578 30 20 DJED C=CC[C@H](C)NC(=O)c1ccc(-c2cccc3cccnc23)cc1 512740088 NMXWBPRTJFLFOK-HNNXBMFYSA-N 316.404 4.596 30 20 DJED CCC(CC)n1ccc(CN(CC)[C@@H](C)c2ccc(C#N)cc2)n1 533321575 FLBVKYODSWQIHK-INIZCTEOSA-N 324.472 4.699 30 20 DJED CC(C)c1ccc([C@H]2CCCN2CCCSCC#N)cc1 534728319 KYVUSLMZHOCHTB-GOSISDBHSA-N 302.487 4.594 30 20 DJED Cc1ccc([C@H](C)NCCSCc2ccccc2C#N)s1 537969044 JJDPYAXGCUIALZ-AWEZNQCLSA-N 316.495 4.512 30 20 DJED C[C@H](NCc1cc2ccccc2s1)c1ccc(C#N)c(F)c1 550857025 MFYFVSWQNDBIHM-LBPRGKRZSA-N 310.397 4.763 30 20 DJED C=CCOc1ccc(CN[C@H]2CCCOc3cc(C)ccc32)cc1 560569726 IOZPNFLYBKEMAF-FQEVSTJZSA-N 323.436 4.563 30 20 DJED Cc1cccc2cc(C(=O)N(CCC#N)CC(C)(C)C)sc12 580671727 GNVSMCZBTVZDOV-UHFFFAOYSA-N 314.454 4.612 30 20 DJED C=CCN(Cc1cccs1)C(=O)[C@@H](C)c1ccc(CC)cc1 589897250 KHNCLRRBEPIPOR-HNNXBMFYSA-N 313.466 4.629 30 20 DJED CC[C@H](CSCCCC1(C#N)CCOCC1)CC(F)F 596389996 BZODXQWEVWIOHC-ZDUSSCGKSA-N 305.434 4.502 30 20 DJED C=CCCCSCC(=O)N[C@@H](C)c1ccc2ccccc2c1 609805196 VDJKATKVVFMISO-HNNXBMFYSA-N 313.466 4.716 30 20 DJED Cc1ccc(C[C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)s1 611393637 YQBYJRPXJXMOFB-BFUOFWGJSA-N 310.466 4.526 30 20 DJED Fc1ccc(NN=Cc2cc(C(F)(F)F)ccc2F)c(F)c1 733201609 WIIHVPZUBLAVEQ-UHFFFAOYSA-N 318.220 4.569 30 20 DJED C#CCOc1ccc(CN[C@H](CC)c2cccc(Cl)c2)cc1 733324662 RKRPQYRSMCABQJ-LJQANCHMSA-N 313.828 4.593 30 20 DJED Cc1ccc(C)c(C(=O)/C=C/c2coc(-c3ccccc3)n2)c1 749887871 ZIZPTBPUWQOHTA-ZHACJKMWSA-N 303.361 4.855 30 20 DJED FC(F)(F)c1ccccc1ON=CC1=Cc2ccccc2OC1 754712220 GRSOYZLDKUFFPA-UHFFFAOYSA-N 319.282 4.546 30 20 DJED Clc1ccc(CNN=Cc2c(Cl)cccc2Cl)cc1 764717800 IDRFKDCUWFWEOX-UHFFFAOYSA-N 313.615 4.771 30 20 DJED C=CC[C@@H](N[C@@H]1CCSc2c(F)cccc21)c1ccncc1 766019172 KMQYHHXBKIKVSB-IAGOWNOFSA-N 314.429 4.665 30 20 DJED Cc1cncc(C(=O)/C=C/c2ccccc2OC2CCCC2)c1 767361350 OHMKUFIXUSIXLC-ZHACJKMWSA-N 307.393 4.608 30 20 DJED FC(F)(F)c1csc(NN=C2CC[C@H]2c2ccccc2)n1 769793739 PWCWELUDJKUPLB-JTQLQIEISA-N 311.332 4.507 30 20 DJED C=CCC[C@H](NCc1occc1Br)c1ccccc1 771992084 JCTAWHWCUQHCME-HNNXBMFYSA-N 320.230 4.839 30 20 DJED C=C(CC)COC(=O)c1ccc(C2SCCCS2)cc1 773452872 KVTZVMBWNHWFGG-UHFFFAOYSA-N 308.468 4.678 30 20 DJED CC(C)Cc1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2o1 791785075 ZEWGKLYTMFISJJ-INIZCTEOSA-N 318.376 4.516 30 20 DJED C[C@@H](OC(=O)c1ccc(C(C)(F)F)cc1)c1ccc(C#N)cc1 796267173 HIIWIZOHYINYJR-GFCCVEGCSA-N 315.319 4.588 30 20 DJED C=CC[C@@H](N[C@H](C)CCc1ccc(F)cc1F)c1ccncc1 796770016 BANRZOPRSSWSBN-AUUYWEPGSA-N 316.395 4.588 30 20 DJED CC[C@H](CN(CC)C(=O)c1ccc(C)c(C#N)c1)c1ccccc1 799370736 VHUFXHNXHGEEFH-QGZVFWFLSA-N 320.436 4.523 30 20 DJED COc1c(C)cc([C@H](C)NCC(C)(C)CCC#N)cc1Cl 806177604 DMRNFFFBTXBYKW-ZDUSSCGKSA-N 308.853 4.638 30 20 DJED C=CC[C@@H](NC1CC(c2cc(F)cc(F)c2)C1)c1ccncc1 809621271 ZJGOMNAMWXSQIU-XUJQIHCRSA-N 314.379 4.513 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)C1(F)CCCCC1 811875071 SGCLMWHOIMVYKG-UHFFFAOYSA-N 315.841 4.589 30 20 DJED Cc1cc(F)ccc1[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 841763408 XMEKZYCWERSVPU-JLTOFOAXSA-N 308.400 4.734 30 20 DJED FC(F)(F)[C@@H]1CCC[C@@H](C=NNc2cccc(Cl)n2)C1 853350329 QTLHBXOCXKMXQU-NXEZZACHSA-N 305.731 4.501 30 20 DJED CC[C@H](Nc1cccc(NC(=O)C(C)C)c1)c1cccc(C#N)c1 902900860 AUSBBJYRIUUUOQ-IBGZPJMESA-N 321.424 4.716 30 20 DJED C=C1CCC(c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 904310624 CBDPMCWWRTXTPH-UHFFFAOYSA-N 308.303 4.969 30 20 DJED COc1cccc(/C=C\C(=O)c2ccc(OC)c3ccccc23)c1 916547037 YGOPSIHBGIMLTJ-BENRWUELSA-N 318.372 4.753 30 20 DJED CCC[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 916627901 CLKKKJZLVVRWMR-ZFWWWQNUSA-N 312.438 4.731 30 20 DJED CC(C)OCc1ccccc1C/N=C\c1cc(Cl)ccc1O 920927721 UGSXROVKTCPWEO-JAIQZWGSSA-N 317.816 4.590 30 20 DJED CCCC[C@H](C(=O)[C@H](C#N)c1nc(C(C)C)cs1)C(C)C 1122734665 DSROAEWAZKNNSY-KBPBESRZSA-N 306.475 4.905 30 20 DJED CCCC1(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 1125368799 POIQUWGGBCOKKP-UHFFFAOYSA-N 320.392 4.869 30 20 DJED CCc1ccc(NC(=O)[C@H](CC#N)c2ccccc2)cc1Cl 1128821843 PYSIHIXYPDSVPK-MRXNPFEDSA-N 312.800 4.538 30 20 DJED Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 1265678439 OLEFIWOWVYPORW-RTBURBONSA-N 318.420 4.779 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2cccc(C(C)(C)C)c2)cc1 1292455728 CHMFXVLDNULDAH-UHFFFAOYSA-N 320.436 4.853 30 20 DJED Cc1cc(CN(CCc2ccccc2)C2CCCC2)ccc1C#N 1308614915 HVUSUZBTDRHGHJ-UHFFFAOYSA-N 318.464 4.854 30 20 DJED CCCC[C@@H](CC)CC(=O)Nc1cc(C#N)ccc1NC1CC1 1448356115 KJRNIBUMISNIET-CQSZACIVSA-N 313.445 4.678 30 20 DJED C[C@@H]1c2ccc(F)cc2CCN1c1nc(C(C)(C)C)ccc1C#N 1472869289 FLFDSTQHQPQFGT-CYBMUJFWSA-N 323.415 4.514 30 20 DJED CC[C@H](NCc1ccc(C#N)cc1C)C(C)(C)c1ccccc1 1473314315 KMLUBKQXQSIPRG-FQEVSTJZSA-N 306.453 4.713 30 20 DJED C[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1523664746 SSVWAEUEOTVIGL-LSDHHAIUSA-N 320.392 4.725 30 20 DJED CN(C(=O)CC1CCC(C(C)(C)C)CC1)c1ccccc1C#N 1535274065 WKNJMTLUNSGGLP-UHFFFAOYSA-N 312.457 4.764 30 20 DJED CC1(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CCCC1 1539410462 VLYMHSWGWCEJFS-UHFFFAOYSA-N 320.392 4.869 30 20 DJED CC(C)CCc1ccc(NC(=O)c2ccccc2CC#N)cc1 1544499101 AWIJTRFGFBFTGD-UHFFFAOYSA-N 306.409 4.594 30 20 DJED Cc1ccc(C(=O)O[C@H](C)c2cccc(OC(C)C)c2)cc1C#N 1585057493 XMJDOWLHQMTYIQ-OAHLLOKOSA-N 323.392 4.572 30 20 DJED C[C@@H](CCC(C)(C)C)C(=O)Nc1cc(C#N)ccc1NC1CC1 1639417798 HMRBQNMACKBRON-ZDUSSCGKSA-N 313.445 4.533 30 20 DJED C=C(Cl)CN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 1642553561 ZPIAVMMLAXSZLC-KRWDZBQOSA-N 307.771 4.591 30 20 DJED C[C@H](C#N)N(CCC1CCC1)Cc1cccc(C(F)(F)F)c1 1646330715 OCCAJVDSCDEVIG-CYBMUJFWSA-N 310.363 4.610 30 20 DJED CC(C)c1ccc(CNc2nc(C(C)(C)C)ccc2C#N)cc1 1651422455 ZBNDVMZIQZXZAB-UHFFFAOYSA-N 307.441 4.986 30 20 DJED CC(C)(C)c1ccc(Nc2c(C#N)nnc3ccccc23)cc1 1654899094 WIDBMDOGKCXCIX-UHFFFAOYSA-N 302.381 4.543 30 20 DJED Cc1cc2c(Oc3cc(C)c(C#N)c(C)c3C)ncnc2s1 1655458425 VVFMNDLBLGNFLJ-UHFFFAOYSA-N 309.394 4.589 30 20 DJED N#Cc1c(F)cccc1CN[C@@H]1CC=C(c2ccc(F)cc2)CC1 1657536784 BIKGWVYMDXUDBN-GOSISDBHSA-N 324.374 4.562 30 20 DJED CCc1cccc(Cl)c1CN(Cc1ccc(C#N)cc1)C1CC1 1658595795 INXNNLYWPYYUTN-UHFFFAOYSA-N 324.855 4.939 30 20 DJED C[C@@H](CCC#N)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1659428735 QOXVBVVRWSZVGU-DLBZAZTESA-N 317.436 4.816 30 20 DJED CC(C)C1CCC(CN(Cc2ccc(C#N)cc2)C2CC2)CC1 1664008804 UOGHLGPVHNFNRX-UHFFFAOYSA-N 310.485 4.985 30 20 DJED CC(CCCCCCC(=O)O)=NNc1ccc(C)c(Cl)c1 1776034989 VDGSCOTXYYRPOZ-UHFFFAOYSA-N 310.825 4.861 30 20 DJED CC(C)Cc1ccc(C(=O)/C=C/c2csc(C(=O)O)c2)s1 1776339621 FNYXBBGLJOIGSS-HWKANZROSA-N 320.435 4.602 30 20 DJED O=C(/C=C/c1ccc(C(=O)O)s1)c1ccc(C2CCC2)cc1 1777569833 SCIQCMYEHMYJIY-CSKARUKUSA-N 312.390 4.610 30 20 DJED O=C(/C=C/c1cccc(Oc2ccccc2)c1)c1cccnc1 7739371 KUUKBRQPLYBHBT-VAWYXSNFSA-N 301.345 4.770 30 20 DJED CCc1cc2c(Nc3ccc(C(C)(C)C#N)cc3)ncnc2s1 26723969 XYTNTXMRTKZUNX-UHFFFAOYSA-N 322.437 4.798 30 20 DJED COC(=O)c1ccc(/C=C\C(=O)c2cccc3ccccc23)cc1 96766219 ZIVHMPLAZSDLAM-KAMYIIQDSA-N 316.356 4.523 30 20 DJED Cc1ccc(CNc2cc(C#N)ccc2C)cc1Br 97897957 IQHOPGBLVWQDQR-UHFFFAOYSA-N 315.214 4.550 30 20 DJED N#Cc1csc(CNc2ccc3nc(C4CC4)sc3c2)c1 178205190 GPQJEKLWCOWFJL-UHFFFAOYSA-N 311.435 4.719 30 20 DJED C[C@H](C#N)Oc1ccccc1NCc1csc2ccccc12 181125158 PNDOTKJSKLJXSR-CYBMUJFWSA-N 308.406 4.804 30 20 DJED C[C@@H](SCCOc1cccc(C#N)c1)c1nc2ccccc2o1 183267721 LTJZQKUPQIFLBX-CYBMUJFWSA-N 324.405 4.573 30 20 DJED C[C@H](Nc1cccc(C(F)(F)F)c1)c1ccc(OCC#N)cc1 192912246 BMRPJVKYNOIYMS-LBPRGKRZSA-N 320.314 4.781 30 20 DJED N#CCOc1ccc(CN[C@H](CC2CCC2)c2ccccc2)cc1 271817129 BRGKLWSHMBUXSM-OAQYLSRUSA-N 320.436 4.610 30 20 DJED C[C@@H](Nc1ccc(C#N)c(Br)c1)[C@H]1C[C@H]2CC[C@H]1C2 300295948 UASTUZOFCFTYKX-OXJKWZBOSA-N 319.246 4.557 30 20 DJED CCN(C(=O)c1cc(C(C)C)oc1C)[C@H](C)c1ccc(C#N)cc1 350081998 PDWMVWNNRPFBBR-CQSZACIVSA-N 324.424 4.806 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1cc(-c2cccnc2)ccc1C 439425047 QYOJVCNHBRUSLI-QGZVFWFLSA-N 309.413 4.533 30 20 DJED N#CC[C@H](CC(=O)NCCCC1CCCCC1)c1ccccc1 474778613 BZSZBHNYZGNSIU-LJQANCHMSA-N 312.457 4.551 30 20 DJED N#Cc1ccc(C(F)(F)F)c(N2CCC[C@@H]2c2ccsc2)c1 475348607 FCPSTUBTZLWIRN-CQSZACIVSA-N 322.355 4.980 30 20 DJED Cc1cc(CN[C@@H](c2ccc(F)cc2)C2CCC2)ccc1C#N 488234803 SCTBWVBVYJBZGG-HXUWFJFHSA-N 308.400 4.637 30 20 DJED N#Cc1ccc(CN2CC=C(c3ccc(Cl)cc3)CC2)s1 506394538 JHKRBSZIXZDYKR-UHFFFAOYSA-N 314.841 4.562 30 20 DJED C[C@@H](F)CCN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 509007273 OUOFYKACTJAUBC-KCJUWKMLSA-N 317.248 4.647 30 20 DJED CC1(C)CC[C@@H](C(=O)N(Cc2ccco2)c2ccccc2C#N)C1 514127973 BDQRIMBTNCXAEQ-OAHLLOKOSA-N 322.408 4.511 30 20 DJED COc1ccc(C#N)cc1CN[C@H](c1ccccc1)C1CCCC1 533384085 FORCQOMIKKLPIK-OAQYLSRUSA-N 320.436 4.588 30 20 DJED C[C@@H](NCCc1csc2ccccc12)c1ccc(C#N)cc1 540597502 SZQIMPIAOVQQAU-CQSZACIVSA-N 306.434 4.666 30 20 DJED CC[C@H](CC#N)NCc1ccc(-c2ccc(Cl)cc2)s1 545875142 GXYNUTPZJNBUKH-CQSZACIVSA-N 304.846 4.850 30 20 DJED C=CCC[C@@H](NCc1ccc(OC(C)(C)C)nc1)c1ccco1 552067381 IFCTZOAXQSPZOM-MRXNPFEDSA-N 314.429 4.649 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCc2c(Cl)cccc21 561132732 SFWCXIVKHPTHDR-WOJBJXKFSA-N 322.839 4.866 30 20 DJED CC[C@H](Nc1cccc2c(OC)ccnc12)c1ccc(C#N)cc1 571849799 FIYRVZKERODXMC-KRWDZBQOSA-N 317.392 4.678 30 20 DJED CC(C)Oc1ccc2ccccc2c1CNc1cccnc1C#N 578705354 UDQGQDJDYZRBSD-UHFFFAOYSA-N 317.392 4.506 30 20 DJED N#CC1(NC(=O)c2cc3c(Cl)cccc3s2)CCCCC1 585719858 WUAOFJMGORLMCY-UHFFFAOYSA-N 318.829 4.511 30 20 DJED Cc1nc(-c2ccccc2)sc1C(=O)/C=C\c1ccc(F)nc1 588524070 SJKNSXXSVSAOJK-CLFYSBASSA-N 324.380 4.549 30 20 DJED CC[C@@H](CN(CC)C(=O)CCCCCC#N)c1ccccc1 588688901 DVGJPFFZRFWMMG-KRWDZBQOSA-N 300.446 4.503 30 20 DJED C=CCNc1nnc(S[C@H](CC)c2ccc(F)cc2)s1 606148979 UGTJAJNCVZPFGI-GFCCVEGCSA-N 309.435 4.519 30 20 DJED CCC[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)c1ccccc1 609669460 PVLHIPWFVTXQJP-CQSZACIVSA-N 319.330 4.925 30 20 DJED Cc1ccccc1[C@H](C)c1noc(/C=C\c2ccccc2C#N)n1 612980701 WERWRCAVJDIXGB-SSCKCOOKSA-N 315.376 4.572 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2NC1CC(c2ccc(Cl)cc2)C1 618807798 XCHMLXWTHNQPIZ-OUNSHVDWSA-N 322.839 4.735 30 20 DJED C#Cc1cccc(NC(=S)N(CC)c2cccc(C)c2C)c1 726476806 MCRJNEODGQEFMN-UHFFFAOYSA-N 308.450 4.508 30 20 DJED CCC(CC)CN(CCC#N)C(=O)/C=C\c1ccc(Cl)cc1 729432645 KUALWGLGDXQJQQ-FLIBITNWSA-N 318.848 4.532 30 20 DJED C[C@@H](C/N=C/c1c(O)ccc2ccccc12)Oc1ccccc1F 743043185 SXKBQFBWNKTRRR-KOUDTOEKSA-N 323.367 4.571 30 20 DJED CC(C)(C#N)CCCCN1CCC[C@H]1c1ccc(F)c(F)c1 769728487 ZZYNXZSQVCOENI-KRWDZBQOSA-N 306.400 4.822 30 20 DJED C#CCCCCC(=O)N[C@H](c1oc2ccccc2c1C)C(C)C 773373641 BXLCFPYMQAUUNK-IBGZPJMESA-N 311.425 4.748 30 20 DJED CC(C)Cc1ccc(CNc2ccccc2O[C@H](C)C#N)cc1 779990892 AEXOYEDALSUUSA-MRXNPFEDSA-N 308.425 4.788 30 20 DJED Cc1ccc(CC[C@H](C)Nc2ccccc2O[C@@H](C)C#N)cc1 780745445 PVWGRWZOFWXGOS-IRXDYDNUSA-N 308.425 4.719 30 20 DJED C[C@@H](Nc1cccc2c1OC(C)(C)C2)c1ccc(C#N)c(F)c1 788980817 AJQWQTQLNLOOCV-GFCCVEGCSA-N 310.372 4.584 30 20 DJED Cc1nn(C(C)C)cc1/C=C1/CCc2c(Cl)cccc2C1=O 798370813 YKBCKNHSVONECB-LCYFTJDESA-N 314.816 4.638 30 20 DJED FC(F)(F)c1csc(NN=C2CCCC23CCCC3)n1 814868271 ZCMGTZVSERZVPQ-UHFFFAOYSA-N 303.353 4.674 30 20 DJED Cc1ccc(NC(=O)c2cccc(CC#N)c2)c(Cl)c1Cl 1116399758 KFRVXBVZNFKJKD-UHFFFAOYSA-N 319.191 4.620 30 20 DJED CCC[C@@H](Nc1cncc(C#N)n1)c1ccc(Cl)c(Cl)c1 1185461355 YHHUJIJPQMJINU-CQSZACIVSA-N 321.211 4.608 30 20 DJED CC[C@@H](Cc1ccc(C)cc1)N[C@H]1CCCc2cc(C#N)ccc21 1206329017 RPGADLYPAQJJLE-UNMCSNQZSA-N 318.464 4.855 30 20 DJED CN(CCc1ccc(C#N)cc1)Cc1c(Cl)cccc1Cl 1208926266 NSEOEUYSWXOAFA-UHFFFAOYSA-N 319.235 4.540 30 20 DJED Cc1cc(NCc2ccc(Oc3ccccc3)cc2)ncc1C#N 1306952446 DTTVVIUOXWKXLL-UHFFFAOYSA-N 315.376 4.666 30 20 DJED CSc1ccccc1[C@@H](C)Nc1nc(C#N)c(Cl)s1 1458335233 WHAAWIWSUHQJQE-MRVPVSSYSA-N 309.847 4.563 30 20 DJED COc1cc(CSc2ccc(C#N)cc2Cl)ccc1C 1458996352 HYAUMUSNZAMULP-UHFFFAOYSA-N 303.814 4.821 30 20 DJED Cc1ccc([C@@H]2C[C@@H](C)N(Cc3ccc(C#N)cc3C)C2)cc1 1460026985 DBKAEGADWPJWNI-DYESRHJHSA-N 304.437 4.553 30 20 DJED C[C@H]1CCC[C@H](OCc2cccc(Nc3cccc(C#N)n3)c2)C1 1472675453 WLEUBTDMQMNTOH-KXBFYZLASA-N 321.424 4.792 30 20 DJED C[C@H](N[C@@H]1CCC[C@H]1Cc1ccccc1)c1ccc(C#N)cc1 1473390758 FYIPFDNFGHAURC-ORYQWCPZSA-N 304.437 4.620 30 20 DJED C[C@@H](NCCc1cc(Cl)cc(Cl)c1)c1cccc(C#N)c1 1473786678 HSMAFGQTJKVVNB-GFCCVEGCSA-N 319.235 4.758 30 20 DJED CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 1518341691 BZPUVWXBWJSBSQ-CABCVRRESA-N 322.408 4.971 30 20 DJED CC(C)c1ccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)cc1Cl 1520595004 KPBWDJOZAUAGJC-MRXNPFEDSA-N 318.848 4.618 30 20 DJED CC[C@@H](C)c1ccc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1 1584414897 DMTSGAJNWJEZKU-CVEARBPZSA-N 320.436 4.905 30 20 DJED CC[C@@H]1CN(Cc2ccc(F)c(C#N)c2)CC[C@H]1c1ccccc1 1615812017 NIJAUQBPPXVRDR-YLJYHZDGSA-N 322.427 4.713 30 20 DJED CCC(CC)Sc1cc(C)c(C#N)c2nc3ccccc3n12 1639414205 AWRQSSUQBSUJOS-UHFFFAOYSA-N 309.438 4.948 30 20 DJED Cc1cc(NC[C@@H]2CC[C@@H](C)C2)n2c(nc3ccccc32)c1C#N 1639868058 MDZRHLRXJQUCIL-UKRRQHHQSA-N 318.424 4.516 30 20 DJED C[C@@H](C#N)N(CCCC1CC1)Cc1cccc(C(F)(F)F)c1 1646331442 TZXSZFFSPYBUAL-ZDUSSCGKSA-N 310.363 4.610 30 20 DJED C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1CC1(CC#N)CC1 1652689667 MSTAFIJTYZTLJI-LLVKDONJSA-N 309.240 4.606 30 20 DJED C=C(CNC(=O)N(C)[C@@H](c1ccccc1)C(C)C)c1ccccc1 1673395744 UBNZNBUPYQNUES-HXUWFJFHSA-N 322.452 4.739 30 20 DJED CCCC[C@@H](C)N(CCCC)C(=O)NCC1CCC(C#N)CC1 1681932698 ZOVZZFIMYYJSED-WWDZGPRUSA-N 321.509 4.707 30 20 DJED Cc1c(NN=C[C@H](C)c2cccc(Cl)c2)cccc1C(=O)O 1776087160 LJMSQXMGHRWXEW-NSHDSACASA-N 316.788 4.548 30 20 DJED CCCCCCC[C@H](CC(=O)O)NC[C@H]1C(C)=CCC[C@@H]1C 1776783313 OTCNMFRFJKMODX-KSZLIROESA-N 309.494 4.772 30 20 DJED Cc1cc(C)c(C#N)c(SCc2ccccc2OC(C)C)n1 59738971 AVVMXEUHYFYGKY-UHFFFAOYSA-N 312.438 4.650 30 20 DJED N#CCC[C@H](N[C@H]1CCc2cc(Cl)ccc21)c1ccccc1 90664928 JOVIXBTXBQJNSD-OALUTQOASA-N 310.828 4.962 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCc1ccc(C#N)cc1 109002798 PTMSCAYHJMKMRD-CQSZACIVSA-N 307.422 4.565 30 20 DJED Cc1ccc(CN(CCC(C)(C)C#N)Cc2ccco2)s1 131293483 ZGLSZROBIZXISV-UHFFFAOYSA-N 302.443 4.592 30 20 DJED CCOc1ccc(-c2nc(CSCCCCC#N)co2)cc1 162585439 HALBPNMPQDCYEK-UHFFFAOYSA-N 316.426 4.667 30 20 DJED CC(C)Oc1ccccc1[C@H](C)N[C@@H](C)c1cccc(C#N)c1 320238734 WCGDQPWRIPLBMH-HOTGVXAUSA-N 308.425 4.757 30 20 DJED OC(=Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@@H]1CCCCS1 329341360 SBXPFXLBEYZKBN-HNNXBMFYSA-N 315.442 4.704 30 20 DJED Cc1cnc([C@H](C)/N=C(/O)N[C@H]2CCCCC23CCCC3)s1 329612614 KCWJCWPIRKYZQI-KBPBESRZSA-N 321.490 4.519 30 20 DJED C[C@H](CC(C)(C)c1c[nH]c2ccccc12)NCC(C)(C)CC#N 414168124 QHHWNWWFMWXRAK-OAHLLOKOSA-N 311.473 4.754 30 20 DJED C[C@@H](C(=O)Nc1ccc(C#N)cc1Cl)c1cccc(Cl)c1 430367791 UXIRPPWUGPARBI-SNVBAGLBSA-N 319.191 4.607 30 20 DJED C[C@H](Sc1nc2c(cc1C#N)CCCC2)c1cccc(C#N)c1 442918173 IXXYTAJGBVVQRL-ZDUSSCGKSA-N 319.433 4.557 30 20 DJED CSc1ccc(F)cc1CNc1c(Cl)cccc1C#N 467021851 GIWKFYSPGBDXOH-UHFFFAOYSA-N 306.793 4.685 30 20 DJED CC(C)[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(C(F)(F)F)cc1 471582129 SZEQHXZEXGEODL-KCXAZCMYSA-N 310.363 4.684 30 20 DJED N#CC[C@@H](CC(=O)N1CCCC2(CCCCC2)C1)c1ccccc1 475907435 SHBPYEBRTDHFRT-IBGZPJMESA-N 324.468 4.647 30 20 DJED C=CC1CCN(C(=O)N[C@H](C)c2cccc3ccccc23)CC1 476622155 CVPYQKFFATXMAC-OAHLLOKOSA-N 308.425 4.508 30 20 DJED COc1cccc([C@@H](C)N[C@@H]2CCCCc3cc(C#N)ccc32)c1 481922511 PEOWVEBINYXVKP-QVKFZJNVSA-N 320.436 4.685 30 20 DJED C=CCSc1ccccc1C(=O)N[C@H]1CCc2cc(C)ccc21 485469673 WFVJSVJXNXEBLO-SFHVURJKSA-N 323.461 4.690 30 20 DJED N#Cc1cc(F)ccc1CN1CCC[C@H]1c1ccc(Cl)cc1 488271924 ZBRWLMGSGJAEBB-SFHVURJKSA-N 314.791 4.688 30 20 DJED Cc1ccccc1[C@H](C)CC(=O)Nc1ccc(C#N)cc1Cl 494638776 WRWICFWNGWQJNA-CYBMUJFWSA-N 312.800 4.652 30 20 DJED CCCC[C@H](C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 503341984 DRUCVPZQENOOPS-KBPBESRZSA-N 304.459 4.703 30 20 DJED CC[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 532758997 UBTWHPNSEYLVDL-HNNXBMFYSA-N 315.760 4.683 30 20 DJED CCN(C[C@@H](C)C#N)C(=O)c1ccc(-c2cccc(C(C)C)c2)o1 540689373 IIVYCJKJUSWTML-HNNXBMFYSA-N 324.424 4.692 30 20 DJED CC[C@@H](CC(F)(F)F)Nc1ccc(C#N)c(C(F)(F)F)c1 544840510 VFNXIYQWOACFIU-VIFPVBQESA-N 310.241 4.720 30 20 DJED C[C@H](c1cccc(Cl)c1)N(C)Cc1cn2ccccc2c1C#N 603856628 NMLULDPXUIXWHG-CQSZACIVSA-N 323.827 4.657 30 20 DJED CCC[C@H](C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609434215 DXHRTZDNRXNWNF-AWEZNQCLSA-N 323.396 4.661 30 20 DJED CCN(C(=O)[C@H](C)c1cccc(C)c1)[C@H](C)c1ccc(C#N)cc1 610039033 SPGIFCBXKYDCOP-IAGOWNOFSA-N 320.436 4.580 30 20 DJED C=CCC(C)(C)CNC(=O)Nc1ccc(COC(C)(C)C)cc1 645018606 GRYVDJUIMFSFIH-UHFFFAOYSA-N 318.461 4.726 30 20 DJED N#Cc1ccc(OCCc2cc(Cl)cc(Cl)c2)cc1F 722134355 FEEJDNPFTBEAGQ-UHFFFAOYSA-N 310.155 4.626 30 20 DJED O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1Cl 734980984 NUZULCHVBVERSQ-RMKNXTFCSA-N 322.147 4.798 30 20 DJED O=C1/C(=C\c2ccccc2C(F)(F)F)CCc2c(O)cccc21 742434289 FHFNUPVVQCFFSJ-BENRWUELSA-N 318.294 4.624 30 20 DJED CCCCOc1ccc(/C=C/C(=O)c2ccsc2)cc1OC 749101842 LXYUXNDAAZALRZ-FNORWQNLSA-N 316.422 4.832 30 20 DJED Cc1c(C(=O)/C=C/c2cc(F)c(O)c(F)c2)oc2ccccc12 749890983 FRPXFESOJHLGEK-VOTSOKGWSA-N 314.287 4.621 30 20 DJED C=CCN(C(=S)Nc1ccccc1-c1ccccc1)C(C)C 751001813 PTIPYSQLAZUEET-UHFFFAOYSA-N 310.466 4.947 30 20 DJED C=CC[C@H](NC(=O)c1ccc([C@H](C)CC)cc1)c1ccncc1 755322421 WRSGFLZKVQHROU-BEFAXECRSA-N 308.425 4.642 30 20 DJED C#CCCCCCC(=O)N(C1CC1)[C@H](C)c1ccccc1Cl 779808075 XGMZGBYULMLBCB-OAHLLOKOSA-N 317.860 4.976 30 20 DJED CC(C)Oc1ccc(C(=O)/C=C/c2scnc2C2CC2)cc1 782306805 PFTWMNJOORHLHH-MDZDMXLPSA-N 313.422 4.704 30 20 DJED C/C=C(/CC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 788797437 GNWVHZJOYFPEHI-XRVIQIRUSA-N 320.392 4.954 30 20 DJED O=C(/C=C\c1c(F)cccc1Br)c1ccsc1 794935044 PXTJDNFYNUOZIH-PLNGDYQASA-N 311.175 4.546 30 20 DJED C[C@H](c1cc2ccccc2o1)N(C)c1nc(Cl)c(C#N)s1 804342062 UHKPLSODNLHWQT-SECBINFHSA-N 317.801 4.612 30 20 DJED N#CCCCCCC(=O)OCc1cccc(Cl)c1Cl 805695945 OZRXXKQQAAEOOG-UHFFFAOYSA-N 300.185 4.511 30 20 DJED C=CCC(F)(F)C(=O)N[C@H](C)c1ccc(SC(C)C)cc1 815400029 URGUTFXZERMVQU-GFCCVEGCSA-N 313.413 4.576 30 20 DJED N#C[C@@H](C(=O)[C@@H](F)CC1CCCCC1)c1nc(C2CC2)cs1 842945761 RXNDKTMFWIQDMX-KBPBESRZSA-N 320.433 4.505 30 20 DJED COc1cccc2cc(/C=C3\Cc4cc(C)ccc4C3=O)oc12 921263879 KFQJJIIIDNIIRO-RVDMUPIBSA-N 304.345 4.572 30 20 DJED CCC(C)(C)c1ccc(COC(=O)c2cccc(CC#N)c2)cc1 1127468685 GBJHSTFJVQAQKA-UHFFFAOYSA-N 321.420 4.797 30 20 DJED C[C@H]1C[C@@H](C)Cc2c1sc(NC(=O)CCCC1CC1)c2C#N 1129333847 DVLQYSYIHZHJQN-NEPJUHHUSA-N 316.470 4.824 30 20 DJED Cc1ccc(N(CCC#N)C(=O)C[C@H]2CCCCC2(C)C)cc1 1142835650 PVNYRBWQUMTGFC-QGZVFWFLSA-N 312.457 4.848 30 20 DJED CCc1ccc([C@@H]2CCCN(c3cccc(F)c3C#N)C2)cc1 1163260459 LZVHTKNEKNGMIZ-QGZVFWFLSA-N 308.400 4.644 30 20 DJED N#Cc1ccc(N[C@H](c2ccc(F)cc2)C2CCCCC2)nc1 1163920661 KQUZROYCIKZLLX-IBGZPJMESA-N 309.388 4.826 30 20 DJED C[C@@H](CCNc1ncc(C#N)cc1Br)CC(C)(C)C 1186121088 KJLOERPSWBDATE-NSHDSACASA-N 324.266 4.590 30 20 DJED CC(C)Oc1ccccc1COc1cc(Cl)ccc1C#N 1188980194 SRRPGYWKGNOTGW-UHFFFAOYSA-N 301.773 4.578 30 20 DJED N#Cc1ccc(CCN2CCC(c3ccc(Cl)cc3)CC2)cc1 1208925807 SYFWHEBIHLFBMP-UHFFFAOYSA-N 324.855 4.634 30 20 DJED COc1ccccc1C1(CNc2cccc(F)c2C#N)CCCC1 1306943448 MAXAKDOGSKQKAC-UHFFFAOYSA-N 324.399 4.630 30 20 DJED CC(C)(C(=O)Nc1ccc(C#N)cc1)c1cccc2ccccc12 1349952058 ULODZHFSJQGIGA-UHFFFAOYSA-N 314.388 4.628 30 20 DJED N#Cc1ccc(C(=O)O[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1Cl 1350150440 WHPBHEGZUXHSLR-XJKCOSOUSA-N 317.816 4.727 30 20 DJED C[C@H](C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C1CCCC1 1351999323 CYSCULRHJNKMCQ-NEPJUHHUSA-N 316.470 4.509 30 20 DJED Cc1sc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c(C#N)c1C 1353587220 QSWAILLIMSLTMB-SOUVJXGZSA-N 316.470 4.782 30 20 DJED CCCN(C(=O)c1cc(C#N)ccc1F)[C@@H](CC)c1ccccc1 1355647080 SFTCHPZDLYEFGD-IBGZPJMESA-N 324.399 4.701 30 20 DJED C[C@@H](CCC(=O)Nc1ccc(Cl)cc1C#N)c1ccccc1 1437645206 CPLPBIKFMBGAHZ-ZDUSSCGKSA-N 312.800 4.734 30 20 DJED C=C(Br)CN(C)[C@@H]1CCCC[C@H]1c1ccccc1 1460246450 LDBFLBWRBNZPFN-JKSUJKDBSA-N 308.263 4.553 30 20 DJED Cc1ccc(CNc2cccc(C#N)n2)c(O[C@H](C)CC(C)C)c1 1472730971 MUHVVHMLBHJSTE-MRXNPFEDSA-N 323.440 4.687 30 20 DJED N#Cc1ccc(F)c(C(=O)Nc2cccc(-c3ccccc3)c2)c1 1520651469 IKGBWTNPVLPRSX-UHFFFAOYSA-N 316.335 4.617 30 20 DJED N#Cc1ccc(C(=O)N[C@H](c2ccccc2)C2CCCCC2)s1 1533743921 RPCSAWUOIOREOB-GOSISDBHSA-N 324.449 4.671 30 20 DJED C[C@H]1CC(C(=O)N(c2ccccc2C#N)C2CCC2)C[C@H](C)C1 1538981126 SYLZQCLFYJYYGV-HUUCEWRRSA-N 310.441 4.516 30 20 DJED C=C(Cl)CN1CCc2ccccc2[C@H](c2ccccc2)[C@@H]1C 1559661041 KTEWANXERFWSRM-JXFKEZNVSA-N 311.856 4.818 30 20 DJED Cc1ccc(F)c2c1CCCN2Cc1ccc(Cl)cc1C#N 1642136996 JRIXEFBCWZGLOS-UHFFFAOYSA-N 314.791 4.612 30 20 DJED C[C@H]1[C@@H](c2ccccc2)CCN1c1nc(C(C)(C)C)ccc1C#N 1651595893 PPUADWNXGWUYCO-YJBOKZPZSA-N 319.452 4.633 30 20 DJED CCN(CCC1(C#N)CCCCC1)[C@@H](C)c1cccc(OC)c1 1652329762 SPPZUMDCXWIIDJ-KRWDZBQOSA-N 314.473 4.942 30 20 DJED CCCCN(Cc1cccc(C#N)c1F)[C@@H]1CCC[C@@H](C)C1 1654582368 GNAIEKFBZWOKKM-CRAIPNDOSA-N 302.437 4.878 30 20 DJED Cc1ccc(CC2CCN([C@@H](C#N)c3ccccc3)CC2)cc1C 1654628766 KVUYUDYKXJKSMB-QFIPXVFZSA-N 318.464 4.823 30 20 DJED CC[C@H](CC#N)NCc1ccc(N(CC)c2ccccc2)cc1 1657118763 NKBSEWKHDAUZTB-GOSISDBHSA-N 307.441 4.626 30 20 DJED C[C@H]1CC[C@@H](c2ccccc2)N(Cc2ccc(CC#N)cc2)C1 1658597745 PABKPRCETSZLAG-UWJYYQICSA-N 304.437 4.726 30 20 DJED CCCC[C@H](C)Nc1cnn(-c2cccc(C#N)c2)c1CCC 1659506771 XESKZZWQSSWHIY-HNNXBMFYSA-N 310.445 4.687 30 20 DJED CC(=NNc1c(Cl)cccc1Cl)c1ccccc1C(=O)O 1776048907 LEXNABMVXOPDEA-UHFFFAOYSA-N 323.179 4.528 30 20 DJED COc1ccc2cc(/C=C/C(=O)c3ccc(F)cc3)ccc2c1 6339655 IJRPHKGMEWQRIR-QDEBKDIKSA-N 306.336 4.884 30 20 DJED CC[C@H](C)[C@@H](C(=O)Nc1ccc(CC#N)cc1)c1ccccc1 57821086 YHVJTSMIDOTDEW-HNAYVOBHSA-N 306.409 4.521 30 20 DJED O=C(/C=C/c1ccc(OCC(F)(F)F)cc1)c1ccc(F)cc1 72041985 FBVADZJFWWYBEJ-XCVCLJGOSA-N 324.273 4.663 30 20 DJED N#Cc1c(NC(=O)c2csc3ccccc23)sc2c1CCC2 73170931 LDNVWRGIDNQSJO-UHFFFAOYSA-N 324.430 4.575 30 20 DJED CCC(C)(CC)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 131918996 BLXGBMPVXPOIBC-LLVKDONJSA-N 320.845 4.952 30 20 DJED C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)c2ccccn2)cc1 152419028 GMAMGVGVUTXFKX-CABCVRRESA-N 316.832 4.625 30 20 DJED N#Cc1csc(/C=C(/Cl)c2nc3ccccc3s2)c1 176841970 YMBBQRJJTOQSLD-IZZDOVSWSA-N 302.811 4.966 30 20 DJED CC1(C)CCC[C@@H](C(=O)Nc2ccccc2SCCC#N)C1 178895364 VDBBVDAXHRLWAJ-CQSZACIVSA-N 316.470 4.847 30 20 DJED C=C(C)CN(C)C(=O)c1cc(-c2ccc(F)cc2)c(C)s1 180426296 DJVFTNCCEUBBAD-UHFFFAOYSA-N 303.402 4.511 30 20 DJED N#Cc1cc(Cl)cc(OCc2ccccc2Br)c1 310902074 MYXMTPQHZYIWMS-UHFFFAOYSA-N 322.589 4.553 30 20 DJED C[C@H](C(O)=Nc1nc2c(s1)CCCCCC2)c1ccccn1 328791996 REGKHZBVINPCOT-LBPRGKRZSA-N 315.442 4.589 30 20 DJED O/C(C/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)=N/C1CCCCC1 329037130 CNHRWVPRRNGNSY-BHYGNILZSA-N 320.477 4.839 30 20 DJED N=C(O)C[C@@H](/N=C(/O)[C@H]1CC12CCCC2)c1cccc(Cl)c1 329783182 UXFNLGWOPOPWCT-ZIAGYGMSSA-N 320.820 4.843 30 20 DJED CC[C@H](c1ccccc1)[S@@](=O)CCC1(C#N)CCCCC1 414258298 XQUQZXPYCOSCJD-UTKZUKDTSA-N 303.471 4.751 30 20 DJED N#C[C@H]1CC[C@@H](N[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)C1 424336276 XOAVVJHSYBXGSW-IEAZIUSSSA-N 322.374 4.623 30 20 DJED C=CCCCCCSc1nncn1[C@@H](C)c1ccccc1 447289880 GUBYIQGCFQQDDI-HNNXBMFYSA-N 301.459 4.726 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1 471474595 CLHBNUQODGOBKF-KRWDZBQOSA-N 308.425 4.536 30 20 DJED C[C@@H](C#N)CSc1ccccc1NCCCCOC(C)(C)C 473658645 IGADIQZUKRCBDF-HNNXBMFYSA-N 320.502 4.946 30 20 DJED CC[C@@H]1CCCC[C@@H]1C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 475117820 MOIRBXKZYLBAIW-WDYCEAGBSA-N 312.457 4.684 30 20 DJED C=C(C)[C@@H](NC(=O)N(CC)[C@@H](C)C(C)C)c1ccc(F)c(F)c1 483288658 HVHIAMLTPRHQPS-SUMWQHHRSA-N 324.415 4.658 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1cccc(Cl)c1OC(C)C 488500703 FYOAHCXJQVASNN-CYBMUJFWSA-N 322.836 4.700 30 20 DJED C=CC1CCN(C(=O)N[C@H](CC(C)C)c2ccccc2C)CC1 491131636 HRCKOQPVTMTZQY-LJQANCHMSA-N 314.473 4.690 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Cc1cccc2ccccc12 497806020 WKZBAXHAVSPLPW-UHFFFAOYSA-N 315.416 4.597 30 20 DJED C=CCOc1ccc(C(=O)Nc2cccc(SCC)c2)cc1 504157305 KNMRMGNEJFWBAG-UHFFFAOYSA-N 313.422 4.616 30 20 DJED CCC(CC)CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 505541562 ZJDVSPNAUJDVHL-CYBMUJFWSA-N 313.228 4.501 30 20 DJED CCN(Cc1ccc(-c2ccccc2F)s1)C[C@@H](C)C#N 509820904 SEEIECYAIXFEDT-ZDUSSCGKSA-N 302.418 4.536 30 20 DJED Cc1ccc(C)c(SCc2noc(-c3ccc(C#N)cc3)n2)c1 544896759 FVKDXIXPMBUSHM-UHFFFAOYSA-N 321.405 4.517 30 20 DJED CC(C)(C)c1ccc(NC(=O)CSc2ccccc2C#N)cc1 558599271 LDRWHENEBNLKJR-UHFFFAOYSA-N 324.449 4.587 30 20 DJED CCCCN(C(=O)c1cccc(CC#N)c1)[C@H](C)c1ccc(C)o1 603739071 AHLYTNQZNYVKCC-MRXNPFEDSA-N 324.424 4.658 30 20 DJED C=C1CCN(CC/C=C/c2ccc(Br)cc2)CC1 604998321 OYUJJNUHFUPIGP-DUXPYHPUSA-N 306.247 4.504 30 20 DJED Cc1ccc(N(CCC#N)C(=O)CC(C)(C)c2ccccc2)cc1 726940227 ONIKOAVZWRYRKK-UHFFFAOYSA-N 320.436 4.610 30 20 DJED C#CCCOc1ccc(CNCc2csc3ccccc23)cc1 733324818 ZKOIHQNOLNJCCD-UHFFFAOYSA-N 321.445 4.593 30 20 DJED CN(C)c1ccc(C(=O)/C=C/c2cc3cc(F)ccc3o2)cc1 741848057 LBYCLPYYFLYMNR-CMDGGOBGSA-N 309.340 4.534 30 20 DJED CCC1(C)C/C(=C/c2cccnc2)C(=O)/C(=C/c2cccnc2)C1 751517996 QNJFZHWZXUQOQQ-OMYAATJGSA-N 318.420 4.723 30 20 DJED CCCCCCCCCNC1CCC(O)(C(F)(F)F)CC1 764667762 PFJZPCJQXFNHEW-UHFFFAOYSA-N 309.416 4.563 30 20 DJED C#CCOc1ccc([C@H](C)N[C@H](C)c2cc(C)sc2C)cc1 764764979 XBMSAPOHEMJVMC-LSDHHAIUSA-N 313.466 4.789 30 20 DJED CCCOc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1OCCC 765922104 ZWTQSDZHURMURC-HZPDHXFCSA-N 316.445 4.758 30 20 DJED Cc1ccccc1[C@@H](CC(C)C)NCc1ccc(OCC#N)cc1 772958429 KEMDWQMNKOOIPB-OAQYLSRUSA-N 322.452 4.774 30 20 DJED CC(=NNc1nc2ccccc2cc1C)c1c(F)cccc1F 776782361 JGPVWYNVTRTMFL-UHFFFAOYSA-N 311.335 4.658 30 20 DJED O=C(/C=C\c1ccc(F)nc1)c1cccc(-c2ccccc2)c1 777466624 BPKGUPUPUAUNGA-LUAWRHEFSA-N 303.336 4.784 30 20 DJED CC(=NNc1cccc(Cl)c1F)c1cnn(C(C)(C)C)c1C 787153969 SLTFVKVGHIVJBB-UHFFFAOYSA-N 322.815 4.575 30 20 DJED C#CC[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 795812822 SLYINOOCIDOMND-VXKWHMMOSA-N 314.432 4.680 30 20 DJED CC(C)(C)c1cnc([C@H](C#N)C(=O)/C=C\C2CCCCC2)s1 797570533 IFHKVHXZSCABEO-CFYYFVFUSA-N 316.470 4.753 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1cccc(C2SCCS2)c1 798496204 WCOPSJHWRNFIHN-CYBMUJFWSA-N 322.499 4.641 30 20 DJED C/C(C=NOCC(F)(F)F)=C\c1ccccc1C(F)(F)F 799883007 MAQIXFCDXYDLQK-ULJBZDOTSA-N 311.225 4.673 30 20 DJED CC(C)(C#N)[C@H]1CCCC1=NNc1ccc(Br)cc1 814796542 YSPIOACKEGJVIC-ZDUSSCGKSA-N 320.234 4.567 30 20 DJED COc1cccc2cc(CN(C)[C@@H](C)c3cccc(C#N)c3)oc12 822525480 HMMOUUXZFNZBGO-AWEZNQCLSA-N 320.392 4.506 30 20 DJED Cc1csc([C@H](C#N)C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)n1 835035780 IEHVTMAIBATZRH-BRWVUGGUSA-N 324.449 4.602 30 20 DJED CCCCCCCCCNC(=O)N1CCC[C@H]1c1cc(C)on1 916194370 WRYVCFFAZUUITC-KRWDZBQOSA-N 321.465 4.580 30 20 DJED C[C@H]1C[C@@H](C)C[C@H](CCN(Cc2ccc(C#N)cc2)C2CC2)C1 1168415070 YCSLCFICBUSSLO-YRWFTTLQSA-N 310.485 4.985 30 20 DJED CSc1ccc([C@H](C)NCCC2(C#N)CCCCC2)cc1 1169792167 SMQBSHDZGSQNRO-HNNXBMFYSA-N 302.487 4.923 30 20 DJED C/C=C/c1ccc(Oc2nc(C#N)c(Cl)s2)c(OC)c1 1184516669 XUGVGEIAKIOQDB-ONEGZZNKSA-N 306.774 4.502 30 20 DJED Cc1cccc(-n2ccnc2SCC2(C#N)CCCC2)c1C 1188530740 NHFQJSPUCKCZBQ-UHFFFAOYSA-N 311.454 4.665 30 20 DJED COc1ccc(C#N)cc1N[C@@H](C)CCc1ccc(Cl)s1 1205348175 YLMDJNNSDFXZEB-NSHDSACASA-N 320.845 4.715 30 20 DJED CCCc1c(N[C@H](C)CC(C)C)cnn1-c1cccc(C#N)c1 1205453279 AQPXKWHCJPOYSF-OAHLLOKOSA-N 310.445 4.543 30 20 DJED Cc1nc(N2CCC[C@@H](CCCc3ccccc3)C2)ccc1C#N 1307074462 GGUMOQKAMSXJPF-LJQANCHMSA-N 319.452 4.501 30 20 DJED C=CCN(C(=O)CC1c2ccccc2Oc2ccccc21)C(C)C 1317822217 HLYAXGOJEYNLSM-UHFFFAOYSA-N 321.420 4.737 30 20 DJED CC(C)Sc1ccc(-c2nnc(-c3ccc(C#N)cc3)o2)cc1 1345866127 AJLQUYUAMLYKIS-UHFFFAOYSA-N 321.405 4.776 30 20 DJED Cc1cccc(-c2cccc(C(=O)Nc3ccc(C#N)cc3)c2)c1 1349960078 AQFURPKIDPOFDS-UHFFFAOYSA-N 312.372 4.786 30 20 DJED CC(C)(C)C[C@H](NC(=O)c1ccc(F)c(C#N)c1)c1ccccc1 1353676716 ZRJKBPHWINCGEI-SFHVURJKSA-N 324.399 4.605 30 20 DJED Cc1ccc(CN(Cc2ccc(C#N)cc2Cl)C(C)C)s1 1459358905 ZFTYUQAPYYTOER-UHFFFAOYSA-N 318.873 4.992 30 20 DJED CCc1cccc2c(C3CCN(CC4(CC#N)CC4)CC3)c[nH]c12 1473115703 BKRPIRXSGDACQE-UHFFFAOYSA-N 321.468 4.604 30 20 DJED N#Cc1c(F)cccc1CN(C1CC1)[C@H]1CCCc2ccccc21 1474362810 XZLABTJZUUPSEE-NRFANRHFSA-N 320.411 4.739 30 20 DJED Cc1ccc(Oc2ccccc2CNc2cccc(C#N)n2)cc1 1559100422 QBRIJIDIQFVCPX-UHFFFAOYSA-N 315.376 4.666 30 20 DJED Cc1ccc(C#N)cc1NCc1ccc(Oc2ccccc2)o1 1620962925 ZCBULNQYCCQWTA-UHFFFAOYSA-N 304.349 4.864 30 20 DJED N#Cc1cc(C(=O)Nc2ccccc2Nc2ccccc2)cs1 1636979308 QZOCCRSHHIKMJB-UHFFFAOYSA-N 319.389 4.616 30 20 DJED C[C@@]1(c2ccccc2)CCCN([C@@H](C#N)c2ccccc2)CC1 1654425045 JWEFHBDOCIFMQZ-LEWJYISDSA-N 304.437 4.695 30 20 DJED CC(C)(C)c1ccc(C2CCN(CC3(CC#N)CC3)CC2)cc1 1654503932 RNJDIKKVGLURPA-UHFFFAOYSA-N 310.485 4.857 30 20 DJED Cc1ccccc1-c1cnc(CSc2cccc(F)c2C#N)o1 1656593219 WHVKBDWGCLCDTD-UHFFFAOYSA-N 324.380 4.953 30 20 DJED CCCN(Cc1ccc(C#N)cc1)CC1CCC(F)(F)CC1 1656984471 ILNPTTPDKCWNKQ-UHFFFAOYSA-N 306.400 4.596 30 20 DJED C[C@@H](Cc1ccccc1Cl)N[C@H]1CCCc2cc(C#N)ccc21 1659475771 QKMNCWZYPIHRAD-XOBRGWDASA-N 324.855 4.810 30 20 DJED CC(C)(C)[C@@H]1CCCC(=NNc2ccc(CC(=O)O)cc2)CC1 1776084862 UBHBKCOGWCBEIT-OAHLLOKOSA-N 316.445 4.708 30 20 DJED CC(C)(C#N)C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 79435662 NLWRRQIOYXYVFL-UHFFFAOYSA-N 304.349 4.588 30 20 DJED N#Cc1ccccc1CN[C@@H](c1ccccc1)c1cccc(F)c1 88536813 BEZIKKFYYLRKGQ-NRFANRHFSA-N 316.379 4.577 30 20 DJED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1cccs1 117110744 UVJQYVDENYDXMF-LBPRGKRZSA-N 323.508 4.505 30 20 DJED C[C@H](SCc1ncc(C(C)(C)C)o1)c1ccc(C#N)cc1 118445348 RLNQTGLITWADMR-LBPRGKRZSA-N 300.427 4.838 30 20 DJED C[C@H]1C[C@H]1c1ccc(CN(CCCC(C)(C)C#N)C2CC2)o1 174819675 ZVUSMHWZZPHPQN-WMLDXEAASA-N 300.446 4.697 30 20 DJED CCCCCCCCC(=O)Nc1ccccc1O[C@@H](C)C#N 182149144 CPMLBIZDVPODPU-HNNXBMFYSA-N 302.418 4.667 30 20 DJED C[C@H](Nc1ccc(OCC#N)cc1)c1ccc(C(F)(F)F)cc1 320392772 XUQNAKPGGQZPDB-LBPRGKRZSA-N 320.314 4.781 30 20 DJED C[C@@H]1CCN=C(O)[C@@H]1/N=C(/O)C1(C2CCCCC2)CCCCC1 328829856 URBMDBQMHIBLMU-GDBMZVCRSA-N 320.477 4.839 30 20 DJED C[C@H]1CC[C@@H](CC(O)=Nc2csc(-c3ccccn3)n2)C1 329671667 UDIPWGQDESEVJI-NWDGAFQWSA-N 301.415 4.619 30 20 DJED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cccc(F)c1F 341898378 SUWXHVTVJWUUCM-XIKOKIGWSA-N 312.363 4.565 30 20 DJED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cc(F)cc(F)c1 417376894 CQGXEOWGNSIHNJ-BUXKBTBVSA-N 312.363 4.565 30 20 DJED Cc1cc([C@H]2CCCN2CCCCC#N)ccc1Br 430238505 KNXMHVUDSMIOIU-MRXNPFEDSA-N 321.262 4.588 30 20 DJED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1oc2ccccc2c1CC 436296059 QWRAMFJYUOMREH-VCBZYWHSSA-N 313.441 4.627 30 20 DJED C[C@@H](Nc1ccc(Oc2ccccn2)cc1)c1ccc(C#N)cc1 439597699 RQHLZRJPPWMRSJ-OAHLLOKOSA-N 315.376 4.919 30 20 DJED COc1ccc([C@@H](NCCCCC(C)(C)C#N)C(C)C)cc1 444690206 RLDFZIDGXCTBRM-SFHVURJKSA-N 302.462 4.702 30 20 DJED CC[C@@H](NCc1ccccc1OCC1CC1)c1ccc(C#N)cc1 447538796 DIIYRNJCPFZICN-HXUWFJFHSA-N 320.436 4.588 30 20 DJED CC[C@@H](NCc1csc(-c2ccco2)n1)c1ccc(C#N)cc1 447586984 PMMSJEVTKPSFGW-MRXNPFEDSA-N 323.421 4.516 30 20 DJED N#CCCCCN[C@H]1CCCCc2ccc(Br)cc21 453105092 GRYGUHZQBCLQOL-INIZCTEOSA-N 321.262 4.500 30 20 DJED Cc1ccc(C[C@H](C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 484739563 SIMVRYQDGAADHA-INIZCTEOSA-N 320.436 4.614 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1cc(C)ccc1OC 484949297 VCYZTFADPUFIKL-UHFFFAOYSA-N 316.445 4.604 30 20 DJED C=CCSc1ccccc1C(=O)Nc1ncc(C(C)C)s1 486338986 FTIZLUXDRHPUFA-UHFFFAOYSA-N 318.467 4.797 30 20 DJED Cc1ccc2ncc(C#N)c(N3Cc4cccc(Cl)c4C3)c2c1 487993614 WYPIREMHXBIZLD-UHFFFAOYSA-N 319.795 4.589 30 20 DJED C=CCCC[C@@H](C)NC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 507478807 RHJMMKWXOMFWBY-NSISKUIASA-N 324.468 4.761 30 20 DJED C[C@H](CC1CCCCC1)C(=O)Nc1sc2c(c1C#N)CCC2 510209749 GQYCWDUAFTUUEY-GFCCVEGCSA-N 316.470 4.653 30 20 DJED N#Cc1ccc2c(c1)[C@@H](N[C@@H](c1ccccc1)C1CCC1)CC2 519794940 QJPVXRGYZLAFSK-SFTDATJTSA-N 302.421 4.677 30 20 DJED C=CC[C@@H](C)NC(=O)c1cc(C)c(-c2ccc(F)cc2)s1 522643185 IEOGJBZQTZIZCY-GFCCVEGCSA-N 303.402 4.557 30 20 DJED CC[C@@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 532758998 UBTWHPNSEYLVDL-OAHLLOKOSA-N 315.760 4.683 30 20 DJED C=CCC(C)(C)c1noc(-c2nc3ccccc3cc2Cl)n1 551111177 HZPNMRPLOILOKI-UHFFFAOYSA-N 313.788 4.792 30 20 DJED CO[C@@H](CSCCCCC(C)(C)C#N)c1ccc(F)cc1 600637453 UQKSEDSYIPZARS-INIZCTEOSA-N 309.450 4.966 30 20 DJED C=CCCCNc1ccc(CC(=O)N(CC)c2ccccc2)cc1 607149313 RWIPLAILQVHSLU-UHFFFAOYSA-N 322.452 4.660 30 20 DJED CC(C)Oc1ccc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1 618807729 WEDYLAAWPHPEIK-QVKFZJNVSA-N 320.436 4.684 30 20 DJED CSc1ccc([C@@H](C)NCc2ccc(C#N)c(Cl)c2)cc1 619754513 BUVPCZGSOVOSIT-GFCCVEGCSA-N 316.857 4.784 30 20 DJED Clc1cccc(Cl)c1C=NNCCCc1ccccc1 729146128 MKFVSHYNYGMELS-UHFFFAOYSA-N 307.224 4.550 30 20 DJED CC(=NN[C@H](C)c1ccccc1)c1cccc(-c2ccncc2)c1 741460832 COVJXGWEQBVBDK-MRXNPFEDSA-N 315.420 4.823 30 20 DJED Cc1cc(C(=O)/C=C/C2=Cc3ccccc3OC2)cc(C)c1F 741467383 NAFTVHMNZWOQGU-BQYQJAHWSA-N 308.352 4.657 30 20 DJED Oc1ccc(Cl)cc1C=Nc1ccc(Oc2ccncc2)cc1 747614969 PKSMJJMCAAARIR-UHFFFAOYSA-N 324.767 4.984 30 20 DJED C=C(C)CNC(=S)Nc1ccc(S[C@@H](C)CC)cc1C 748160076 ZARZUIGVOAVCHN-ZDUSSCGKSA-N 308.516 4.748 30 20 DJED CSc1ccc2c(c1)CC/C(=C\c1nc(Cl)cs1)C2=O 759086148 ZYXXMKVIBHHWEC-JXMROGBWSA-N 321.854 4.731 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2cc3ccccc3s2)c(F)c1 780189001 READXXUOYMZDIF-FPLPWBNLSA-N 307.349 4.808 30 20 DJED O=C(/C=C\c1cnc(-c2ccco2)s1)c1cc(F)ccc1F 789131548 ZYCBINDAIAGWAR-XQRVVYSFSA-N 317.316 4.577 30 20 DJED C=CC[C@@H](C(=O)Oc1ccc2cccnc2c1)c1ccccc1 791858627 CVXBYBNWWTYMSU-GOSISDBHSA-N 303.361 4.500 30 20 DJED CCCCCCC[S@@](=O)[C@H](C)c1nccn1-c1ccccc1 806641422 FPHJSJWDJBWXGH-OPAMFIHVSA-N 318.486 4.652 30 20 DJED C=C(C)CCN[C@H](C)c1ccc(SC(F)F)c(OC)c1 834882123 ICGALJVHBMGBSI-LLVKDONJSA-N 301.402 4.627 30 20 DJED C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C#CC(C)(C)C 837330977 KQQLTMGEFKGIHQ-LLVKDONJSA-N 312.240 4.562 30 20 DJED Cc1cccc([C@H](C)[S@](=O)CCCCC2(C#N)CCC2)c1 899394324 GKVSLHAIXVXHKE-HRAATJIYSA-N 303.471 4.669 30 20 DJED CCOc1cc(/C=C\C(=O)c2ccc(C(C)C)cc2)ccc1O 916132367 AALJYXNDCBMQBY-WZUFQYTHSA-N 310.393 4.810 30 20 DJED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1scnc1C 917552470 QWKYEWQIYITIBS-LBPRGKRZSA-N 301.459 4.650 30 20 DJED N#Cc1ccccc1/C=C\c1nnc(-c2cc3ccccc3o2)o1 1117218431 NCIVGSORHZMWNO-KTKRTIGZSA-N 313.316 4.525 30 20 DJED N#Cc1nc(S[C@@H]2CCCc3ccccc32)ccc1Cl 1185676905 MYXHFBZLKFGOBO-OAHLLOKOSA-N 300.814 4.776 30 20 DJED Cc1nc(NCC(C)(C)C2CCCCC2)c(Cl)cc1C#N 1185838539 JMFKQEPGTBPFMU-UHFFFAOYSA-N 305.853 4.934 30 20 DJED Cc1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)c(Cl)c1 1192947848 QLSDCRJTOUSDBH-UHFFFAOYSA-N 322.839 4.809 30 20 DJED CC[C@H](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@H]2C 1273945934 FGPDOVLGGCRSFD-RVMXOQNASA-N 318.486 4.926 30 20 DJED C=C(Cl)CN(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 1307445937 NEQDWBXLTOOVRW-NSHDSACASA-N 303.755 4.983 30 20 DJED N#C[C@H]1CC[C@@H](N[C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)C1 1308830563 YQCQIXINZKLVKG-UNQWWWNPSA-N 302.849 4.648 30 20 DJED C=CCn1cnnc1S[C@H](c1ccccc1)c1ccccc1C 1318344242 JHGJAVFSQHTNEZ-GOSISDBHSA-N 321.449 4.654 30 20 DJED CCCc1ccc(C[S@](=O)CCCCC(C)(C)C#N)cc1 1320806558 LPFCHXNCFWBRSZ-OAQYLSRUSA-N 305.487 4.608 30 20 DJED C[C@@H](OC(=O)Cc1ccc(C(C)(C)C)cc1)c1ccc(C#N)cc1 1354918651 KLYMEXVINGGIBV-OAHLLOKOSA-N 321.420 4.703 30 20 DJED CN(C(=O)C[C@H]1CCCCC1(C)C)c1cc(Cl)ccc1C#N 1435414836 ZTMAEMQXNDFKKP-CQSZACIVSA-N 318.848 4.781 30 20 DJED Cc1nc(N(C)[C@@H]2CCC[C@@H]2C(C)(C)C)c(Cl)cc1C#N 1458444790 KJTJDQVZIRMLFM-DZGCQCFKSA-N 305.853 4.566 30 20 DJED CCc1ccc([C@@H](C#N)N(C)C(=O)c2ccc(C(C)C)cc2)cc1 1460593306 ZJGJZWRMTWDGFQ-HXUWFJFHSA-N 320.436 4.709 30 20 DJED CCC[C@@H](CC(C)C)C(=O)N(c1cccc(C#N)c1)C1CCC1 1461559114 JFSOBEMASAVJNX-KRWDZBQOSA-N 312.457 4.906 30 20 DJED N#Cc1ccc(CN2CCC[C@@H]2CC2CCCCC2)c(F)c1 1474365200 XXXYGKUXXVMJQC-GOSISDBHSA-N 300.421 4.632 30 20 DJED Cc1cccc2c(C(=O)Nc3ccc(Cl)cc3C#N)coc12 1528631929 LBLFBBASNGFTDE-UHFFFAOYSA-N 310.740 4.519 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CCC[C@@H]1CCC 1543963451 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CVDDAWUYRFEIQH-BZUAXINKSA-N 324.424 4.590 30 20 DJED CC(C)c1cccc(NC(=O)Nc2ccccc2O[C@H](C)C#N)c1 183576696 QXLAMTLFNAEJSS-CQSZACIVSA-N 323.396 4.745 30 20 DJED CC(C)C(CNc1ccc(C#N)c(Br)c1)C(C)C 228198148 ZGJIORRWHYMBFL-UHFFFAOYSA-N 309.251 4.661 30 20 DJED CC[C@@H](NCc1cccc(OCCCC#N)c1)c1ccc(C)cc1 237017616 OWZNIBNZUGWDMI-OAQYLSRUSA-N 322.452 4.919 30 20 DJED N#Cc1ccc(CNC2(c3ccc(Cl)cc3)CCCC2)s1 237660001 SLDOZECOVXHSQJ-UHFFFAOYSA-N 316.857 4.832 30 20 DJED COc1cc(C)c(C(=O)/C=C/c2ccccc2Cl)cc1OC 303364478 QTYLZJAZKLJORW-CMDGGOBGSA-N 316.784 4.562 30 20 DJED C[C@@H](NCc1cc(Cl)sc1Cl)c1cccc(C#N)c1 312767979 HXENGRMAQLTQIV-SECBINFHSA-N 311.237 4.777 30 20 DJED CC[C@@H]1OCCC[C@H]1C(O)=Nc1ncc(-c2ccccc2)s1 330312430 OHTNLHFBFRMDJE-KGLIPLIRSA-N 316.426 4.603 30 20 DJED CSc1ccccc1C[C@H](C)N[C@@H](CCC#N)c1ccccc1 341340799 GTCXYPRQEOLNFD-LPHOPBHVSA-N 324.493 4.974 30 20 DJED N#Cc1ccc(/C=C\c2ccc(Cl)c(C(F)(F)F)c2)nc1 409719147 JDVRIYREXONCQD-RJRFIUFISA-N 308.690 4.796 30 20 DJED C=C[C@@H](CC(=O)NC1CC(C)(c2ccccc2)C1)c1ccccc1 410078497 AGRLFVIVIWXAAP-RYHLMMNBSA-N 319.448 4.583 30 20 DJED N#Cc1ccc(CN[C@H](CC2CC2)c2ccc(Cl)cc2)s1 421880010 NVNUHLANZOUUEA-QGZVFWFLSA-N 316.857 4.904 30 20 DJED Cc1nc(-c2cccc(NCc3ccc(C#N)c(C)c3)c2)cs1 443985227 YCVHJPQPDHVGSI-UHFFFAOYSA-N 319.433 4.911 30 20 DJED Cc1cccc([C@@H](NC2CCC(C)(C#N)CC2)c2ccccn2)c1 449212422 VASVMRBEEGWZHF-VEDCXYSMSA-N 319.452 4.542 30 20 DJED N#CCc1cccc(NC(=O)C2(c3cccs3)CCCCC2)c1 456720193 ACOIRNSKTGADFB-UHFFFAOYSA-N 324.449 4.655 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@H](c2ccc(F)cc2)C2CCCC2)C1 463281385 HGLQYOBAUFWCTM-CCKFTAQKSA-N 300.421 4.729 30 20 DJED C=CCCN(C)C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 467088313 GIZALRGLTCFYOQ-FQEVSTJZSA-N 320.436 4.558 30 20 DJED C=CCN(CC1CCCCC1)C(=O)C[C@@H](CC#N)c1ccccc1 475905989 OBSXLWZATZVXBB-HXUWFJFHSA-N 324.468 4.669 30 20 DJED C=C(C)CN(CC)C(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 481199011 LDIMBPOQIKZGCC-HNNXBMFYSA-N 313.363 4.624 30 20 DJED C=CCCC1(C(=O)NC2CC(F)(c3cccc(Cl)c3)C2)CC1 482989300 UAGYQBOWWSHQED-UHFFFAOYSA-N 321.823 4.530 30 20 DJED CCN(CC(C)(C)C)C(=O)c1ccccc1-c1ccccc1C#N 485448064 XGEYFNNHOXYOEH-UHFFFAOYSA-N 320.436 4.733 30 20 DJED CCC[C@@H](CC1CCCC1)C(=O)N(C)Cc1ccc(C#N)cc1 499412683 KELQQOWHAYTNDK-IBGZPJMESA-N 312.457 4.513 30 20 DJED CCC(CC)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510380784 XVPHYXSIRNYPCR-UHFFFAOYSA-N 323.396 4.661 30 20 DJED C=CCOc1cccc(NC(=O)N[C@H](CC)c2cccs2)c1 510658171 NIGATGKCQIMYFU-OAHLLOKOSA-N 316.426 4.586 30 20 DJED C=CCOc1ccccc1CNCc1ccc2ccccc2c1 518289975 DIHVOHXMWPQTOB-UHFFFAOYSA-N 303.405 4.694 30 20 DJED C=CC[C@H](C)NC(=O)N1CCC(c2cccc3ccccc23)CC1 522635976 GPXOIMIKHHFWPS-INIZCTEOSA-N 322.452 4.693 30 20 DJED N#Cc1ccccc1N(Cc1ccco1)C(=O)C1CCCCCC1 523868054 MEHUXJLIMVSJFT-UHFFFAOYSA-N 322.408 4.655 30 20 DJED N#Cc1cc(CN[C@@H](c2ccccc2)C2CCCC2)ccc1F 533063802 WDHSTDOZRHJGFF-FQEVSTJZSA-N 308.400 4.718 30 20 DJED N#Cc1ccc(SCCCc2ccncc2)cc1C(F)(F)F 545132027 MXOURCWDOJABFK-UHFFFAOYSA-N 322.355 4.697 30 20 DJED N#C[C@H]1CC[C@H](N2CCC(c3c(Cl)cccc3Cl)CC2)C1 555527705 MSRPZBJGASFXLV-JSGCOSHPSA-N 323.267 4.865 30 20 DJED C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)o1 571018263 ODSDEQBPOPLVRL-JSNMRZPZSA-N 320.436 4.832 30 20 DJED CC(C)Oc1cccc([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)c1 576197501 HICMKXHZAYEHBV-VFNWGFHPSA-N 320.436 4.684 30 20 DJED CCCCOc1ccc([C@H](C)Nc2ccc(C#N)cc2)cc1OC 603867166 YJJVZNRPPCMRMY-HNNXBMFYSA-N 324.424 4.919 30 20 DJED CC(C)c1cccc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)c1 659115682 GEVWVOZYICXFHR-HNNXBMFYSA-N 310.422 4.634 30 20 DJED O=C(/C=C\C1=Cc2ccccc2OC1)c1c[nH]c2cc(F)ccc12 726741010 RTLDIHWYTRYZGX-YVMONPNESA-N 319.335 4.522 30 20 DJED CCCCCCC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 731198219 HMGVLMUXWNJMJY-QGZVFWFLSA-N 300.446 4.635 30 20 DJED C=C(Cl)CNC(=S)Nc1ccccc1Oc1ccccc1 735981503 HVZAACFGCAIRHV-UHFFFAOYSA-N 318.829 4.518 30 20 DJED CC(C)=CCSc1ccccc1C(=O)OCCCCC#N 741367955 AWJCRZYGYRUVTF-UHFFFAOYSA-N 303.427 4.596 30 20 DJED Cc1ccc(C#N)cc1NCc1ccc(SC(F)F)cc1 742261790 UZLOLNUMIFMRFT-UHFFFAOYSA-N 304.365 4.794 30 20 DJED C#CCCCNC(=O)Nc1ccccc1SCc1ccccc1 743082829 UFYFYAKDZVPKAB-UHFFFAOYSA-N 324.449 4.514 30 20 DJED Cc1cc2cc(/C=C\C(=O)c3ccc(C#N)s3)oc2cc1C 762438424 NVPBLMRLIYBPDQ-HYXAFXHYSA-N 307.374 4.879 30 20 DJED O=C(/C=C/c1cccc(Br)c1)c1cccc(F)c1F 776268395 NDLNMOVBNYBALD-BQYQJAHWSA-N 323.136 4.623 30 20 DJED COc1ccc(Cl)cc1N[C@@H](C)c1ccc(C#N)c(F)c1 777604838 DBJJRZPNUVJDJY-JTQLQIEISA-N 304.752 4.532 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2nccc3ccccc23)c(Cl)c1 788361093 TXSGOCOYSUBVSU-BQYQJAHWSA-N 318.763 4.656 30 20 DJED CC(=NNc1cc(C)ccn1)[C@@H]1C[C@H]1c1ccc(Cl)s1 788433272 LMTNICPAXBKIAH-NWDGAFQWSA-N 305.834 4.696 30 20 DJED C=CCCC[C@@H](C)NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 801689430 LIXAISRKAXEORC-BXUZGUMPSA-N 317.326 4.577 30 20 DJED COc1ccc2c(c1)C(=O)/C(=C\c1cscc1C(F)(F)F)C2 811692097 USIFNOUBDOZWMZ-YHYXMXQVSA-N 324.323 4.598 30 20 DJED N#Cc1c(Cl)nsc1NCCc1cc2ccccc2s1 814911579 OEWFWCLZZUWIKT-UHFFFAOYSA-N 319.842 4.537 30 20 DJED O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCO2 834869957 FEACEKXSTKGZQA-XVNBXDOJSA-N 318.294 4.536 30 20 DJED Cc1ccc(C)c(NN=Cc2sc3nc(C)nc(C)c3c2C)c1 874083592 JAFVUFRHZMVEFH-UHFFFAOYSA-N 324.453 4.679 30 20 DJED O=C1/C(=C\c2cccc(OC3CCCC3)c2)Cc2c(O)cccc21 917519272 QASUHWWGUFXVLE-PTNGSMBKSA-N 320.388 4.536 30 20 DJED C[C@H]1Cc2c(sc(NC(=O)c3ccccc3)c2C#N)[C@H](C)C1 1129227100 QMMMWVMTCGGKOZ-VXGBXAGGSA-N 310.422 4.558 30 20 DJED CC(C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C 1129333471 MKMGWWCCZIXOPK-SDDRHHMPSA-N 304.459 4.536 30 20 DJED CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)CCO[C@H](C)C#N 1193976942 OBCDWWDRGXTGHI-KDOFPFPSSA-N 322.880 4.678 30 20 DJED C=C(CNCc1cccc(OC2CCCC2)c1)c1ccccc1 1200134917 BYECFPFIEIPSAF-UHFFFAOYSA-N 307.437 4.811 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@H]1[C@H](C)c1ccccc1 1308100148 WMNKEZFBSWDASJ-UTKZUKDTSA-N 304.437 4.635 30 20 DJED CC[C@@H](CC(C)C)C(=O)N(CC(C)C)c1ccc(C#N)cc1 1349945797 UUVLVVAEOBRORK-KRWDZBQOSA-N 300.446 4.620 30 20 DJED CCC[C@H](CC1CCCC1)C(=O)Nc1cc(C#N)ccc1F 1436644413 WKONPBGSMUJJOE-OAHLLOKOSA-N 302.393 4.632 30 20 DJED CC(C)(C)c1ccc(CCC(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1 1436649067 LAHILXUTDGFYFU-FUHWJXTLSA-N 313.441 4.542 30 20 DJED C[C@@H]1CCC[C@@H](OCc2cccc(Nc3cccc(C#N)n3)c2)C1 1472675451 WLEUBTDMQMNTOH-DNVCBOLYSA-N 321.424 4.792 30 20 DJED Cc1ccc(Br)cc1CN(CCC#N)CCC(C)C 1473203575 FVJLDOQQYKWELF-UHFFFAOYSA-N 323.278 4.519 30 20 DJED CC(C)CN(C/C=C\c1ccc(F)cc1)Cc1ccc(C#N)cc1 1474362304 IERJMZMWCMHQIF-ARJAWSKDSA-N 322.427 4.869 30 20 DJED CCOc1ccc(C#N)cc1N[C@H](C)CCc1ccc(F)cc1 1474430858 SDEGCSIEFYKZTB-CQSZACIVSA-N 312.388 4.529 30 20 DJED CCc1ccc([C@@H](C)CC(=O)OCc2ccc(CC#N)cc2)cc1 1520640159 HXKOFCDFWASBFH-INIZCTEOSA-N 321.420 4.552 30 20 DJED CCC(C)(C)c1ccc(COC(=O)c2cc(C#N)cs2)cc1 1527008027 OENFLZKZJZKUSZ-UHFFFAOYSA-N 313.422 4.664 30 20 DJED Cc1ccc(C(=O)Nc2cccc3c2[C@@H](C)CC3(C)C)cc1C#N 1538362346 DGBGDHBZPLLLJS-AWEZNQCLSA-N 318.420 4.904 30 20 DJED CC(C)(C#N)CC(=O)N[C@H](c1ccc(F)cc1)C1CCCCC1 1544463645 LFDZLHVYBUAQEL-SFHVURJKSA-N 316.420 4.503 30 20 DJED CC[C@@H](C#N)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 1598198285 VNWOWQDGELCZAR-LBPRGKRZSA-N 314.772 4.621 30 20 DJED Cc1ccccc1SC[C@@H](C)COc1ccc(C#N)c(F)c1 1640924787 UEWDCQJVKKKALP-ZDUSSCGKSA-N 315.413 4.813 30 20 DJED Cc1ccc([C@H]2CCCCCN2CCc2ccc(C#N)cc2)o1 1653432423 BKJHYHXMPAOLRW-LJQANCHMSA-N 308.425 4.620 30 20 DJED C[C@@H](CCNc1nc(C(F)(F)F)ccc1C#N)CC(C)(C)C 1655377688 UWJPWDHHZVBGFB-NSHDSACASA-N 313.367 4.846 30 20 DJED N#Cc1ccc(CN2CCC[C@H]2CCCc2ccccc2)c(F)c1 1657180323 WBYJTWSBYSKLFX-HXUWFJFHSA-N 322.427 4.685 30 20 DJED CC(C)Sc1cccc(Cl)c1CN1CCC[C@@H](C#N)C1 1665629266 LZHFDFGSPBZIPP-ZDUSSCGKSA-N 308.878 4.576 30 20 DJED CC(CCC1CCCCC1)=NNc1ccc(C(=O)O)c(F)c1 1776074269 RABDPSVCFOAXAT-UHFFFAOYSA-N 306.381 4.672 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1cccc(CC)c1 1776784061 WEFRLRLTXKGICR-GOSISDBHSA-N 305.462 4.542 30 20 DJED N#CCOc1ccc(C(=O)/C=C/c2ccc3ccccc3c2)cc1 8321725 HKRFAYZBFMBIHA-WUXMJOGZSA-N 313.356 4.638 30 20 DJED Cc1cc(Br)ccc1N[C@@H](C)c1ccc(C#N)cc1 19905593 ZKCBPDFAQZPYJG-LBPRGKRZSA-N 315.214 4.802 30 20 DJED O=C1/C(=C/c2ccc(F)cc2)CC/C1=C\c1cccc([N+](=O)[O-])c1 23608959 MLTQPUWHJAOBCT-RWPWKDLBSA-N 323.323 4.564 30 20 DJED C=C(C)COc1cccc(NC(=O)c2c(F)cccc2Cl)c1 66463628 NPBUERYMEXARNV-UHFFFAOYSA-N 319.763 4.686 30 20 DJED CC1(C)Cc2cc(CN[C@@H](CCC#N)c3ccccc3)ccc2O1 130418332 HEDCTCDGSVFKCK-IBGZPJMESA-N 320.436 4.535 30 20 DJED Cc1nc(-c2ccc(OCCCC(C)(C)C#N)cc2)cs1 158128179 VZVHGHBUEJADHX-UHFFFAOYSA-N 300.427 4.827 30 20 DJED C[C@@H](SCc1cc(F)ccc1C#N)c1nc2ccccc2o1 183411107 WPZLPMCWSABVQC-LLVKDONJSA-N 312.369 4.833 30 20 DJED Cc1nc(C(C)(C)C)sc1C(O)=Nc1cccc2ocnc12 328928241 XTDNVJNMFLCSRU-UHFFFAOYSA-N 315.398 4.527 30 20 DJED C[C@@H]1CCC[C@@H](C(O)=Nc2csc(-c3ccncc3)n2)C1 329810723 MNSWFIQENDQJRX-DGCLKSJQSA-N 301.415 4.619 30 20 DJED C=CCc1cccc(F)c1OCc1csc([C@H](C)OCC)n1 424105123 UWUYVYUTDFROOO-LBPRGKRZSA-N 321.417 4.687 30 20 DJED N#C[C@@H]1CC[C@H](NCC2(c3cccc(Cl)c3F)CCCC2)C1 442860060 RNEOMSTZOPMDAS-KGLIPLIRSA-N 320.839 4.573 30 20 DJED CC(C)(C#N)CCCCN(CCc1ccc(F)cc1)C1CC1 444655299 SZRSAWATXRQOOZ-UHFFFAOYSA-N 302.437 4.553 30 20 DJED CC[C@@H](NCc1ccccc1OCC(C)C)c1ccc(C#N)cc1 447538033 AKAZHWMLDBHUSX-HXUWFJFHSA-N 322.452 4.834 30 20 DJED C[C@H](NC1CCC(C)(C#N)CC1)c1cccc(C(F)(F)F)c1 449067762 OBHCCMHNNQRCBP-JQRITLKVSA-N 310.363 4.828 30 20 DJED C=CCN(CC=C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H](C)CC 466071622 WMCIHAQAQUTXCH-PBHICJAKSA-N 320.864 4.811 30 20 DJED C=C(C)C[C@H](C)C(=O)N1CC=C(c2c[nH]c3cc(C)ccc23)CC1 466838468 PROAUTMBRJMUQT-INIZCTEOSA-N 322.452 4.694 30 20 DJED C=C[C@](C)(CC)C(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 468281939 NJJHGILMGCCHMK-BLLLJJGKSA-N 313.363 4.527 30 20 DJED CC(C)c1ccc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc1 474443905 FTRQYCITHWKHQV-HNNXBMFYSA-N 312.438 4.880 30 20 DJED C[C@@H](NC[C@@H]1CCSC1)c1ccc(-c2cccc(C#N)c2)cc1 487571581 INYKELJUYSWMMT-WBVHZDCISA-N 322.477 4.629 30 20 DJED N#Cc1ccc(NC(=O)N(Cc2ccoc2)C2CCCCC2)cc1 497680371 WDWXOSZWNLQRFE-UHFFFAOYSA-N 323.396 4.518 30 20 DJED CC(C)(CC(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 519138010 HRGKKENCHPDYLY-UHFFFAOYSA-N 312.800 4.518 30 20 DJED C=C[C@@H](CC(=O)NC[C@@H](CC)c1ccccc1)c1ccccc1 533917918 LOGMTQUALQHNID-ZWKOTPCHSA-N 307.437 4.656 30 20 DJED Cc1ccccc1-c1cnc(CSc2cccc(C#N)c2)o1 536020793 SMAGFGDRXLPZNE-UHFFFAOYSA-N 306.390 4.814 30 20 DJED Cc1ccc(Oc2ccc(-c3noc(C(C)(C)C#N)n3)cc2)cc1 547102014 YJGFMHAZZREGIM-UHFFFAOYSA-N 319.364 4.639 30 20 DJED C=CCC(C)(C)CN[C@@H](c1cccnc1)c1ccc(F)cc1F 550857019 MFCNAQOSICFWPJ-SFHVURJKSA-N 316.395 4.641 30 20 DJED CC(C)(C#N)CCN(Cc1ccccc1C(F)(F)F)C1CC1 551775677 KIUNDSDCCLSWIO-UHFFFAOYSA-N 310.363 4.610 30 20 DJED C[C@H](Oc1ccccc1N[C@H]1CCC[C@H](C#N)C1)C(F)(F)F 589209726 RIHYTECUQSMRNE-AVGNSLFASA-N 312.335 4.510 30 20 DJED C=C(C)COc1cccc(NC(=O)N(CC)[C@@H](C)C(C)C)c1 589739495 QCWQGUNZRFXJIU-HNNXBMFYSA-N 304.434 4.540 30 20 DJED CC(C)CCOc1ccccc1NC(=O)CCCCCC#N 594081091 MUXYCVPSJWMEDG-UHFFFAOYSA-N 302.418 4.524 30 20 DJED CC(C)C[C@@H](C)CC(=O)N(CC(C)C)c1ccc(C#N)cc1 609010543 HBTKVSLZEQQJNG-MRXNPFEDSA-N 300.446 4.620 30 20 DJED Cc1cc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc(C)c1F 618807370 UDLGEWNUDYXHTP-LIRRHRJNSA-N 308.400 4.652 30 20 DJED N#CC1(CNCc2c(Cl)cccc2Oc2ccccc2)CC1 619535276 CRUZUGLEUSLCGU-UHFFFAOYSA-N 312.800 4.526 30 20 DJED CC/C=C(\C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 729375547 KKBPIRBDFAQWAN-LHHJGKSTSA-N 306.365 4.645 30 20 DJED CC(=NNc1cccc(Cl)c1F)c1cnc2ccsc2c1 739409313 COTGKBDXZCRBCV-UHFFFAOYSA-N 319.792 4.925 30 20 DJED Clc1ccc([C@@H]2CCCC2=NNc2nccnc2Cl)cc1 741459901 GQMGCBOEEFEVLN-LBPRGKRZSA-N 321.211 4.519 30 20 DJED Cc1cc(CON=Cc2ccc(Cl)cc2)c2ccccc2n1 742350992 PIKUQEPWLNYMPQ-UHFFFAOYSA-N 310.784 4.747 30 20 DJED C=CCN(C(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1)C(C)C 748175231 YKBWZRJXHXZHCC-QBFSEMIESA-N 311.347 4.532 30 20 DJED O=C(/C=C/c1coc(-c2ccccc2)n1)c1c[nH]c2ccccc12 749893523 ZALTYFITVWJOAB-ZHACJKMWSA-N 314.344 4.719 30 20 DJED COc1cc(C)c([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1C 753631952 HQASQQGUBVLXET-CVEARBPZSA-N 308.425 4.596 30 20 DJED C#CC[C@@H](NC(=O)Nc1ccc(Cl)cc1C)c1ccccc1 757760903 KTJYVUCFBQBRMT-QGZVFWFLSA-N 312.800 4.535 30 20 DJED O=C1/C(=C\c2nc3ccc(F)cc3s2)CCc2sccc21 761476452 IURUQOAPKXUAIE-CLFYSBASSA-N 315.394 4.709 30 20 DJED C#CCCCCc1nc(-c2cccc(-c3csc(C)n3)c2)no1 762071803 ZNGJIKYQDIHEKC-UHFFFAOYSA-N 323.421 4.515 30 20 DJED C=CCCCC[C@H](C)NC1CCC(O)(c2ccccc2)CC1 765942030 ULTHNZXRDRZFLC-KKXNLOMOSA-N 301.474 4.541 30 20 DJED Cc1cnc(NCc2cccc(-c3ccc(C#N)s3)c2)s1 767230186 MUACURYYVZFYGN-UHFFFAOYSA-N 311.435 4.664 30 20 DJED CCCCCCCSCc1cc(-c2cnn(C)c2C)no1 767873271 AJFSMJSEOAAHQQ-UHFFFAOYSA-N 307.463 4.587 30 20 DJED C=CC[C@H](N[C@@H]1CC[C@](C)(c2ccccc2)C1)c1ccncc1 783247434 WXVRRQVLICPABN-HKBOAZHASA-N 306.453 4.799 30 20 DJED FC(F)(F)COc1ccc(NN=C2CCC23CCCC3)cc1 788714760 JCMUIFIJQTWNKC-UHFFFAOYSA-N 312.335 4.750 30 20 DJED COc1cccc(O)c1/C=N/[C@H](C)c1cccc(C(F)(F)F)c1 812394723 XADVHHMBBINLDV-OHBSIKEHSA-N 323.314 4.600 30 20 DJED C#CC[C@H](NC/C(C)=C\c1ccccc1COC)c1ccccc1 814295347 XTHVFHKYNKMPFU-BBXQBHCASA-N 319.448 4.591 30 20 DJED COc1cccc(-c2nc(/C=C\C(=O)c3ccccc3)cs2)c1 916134412 SANSSWRTRWHFQO-KHPPLWFESA-N 321.401 4.715 30 20 DJED CCOc1ccc(/C=C\C(=O)c2ccccc2Cl)cc1OC 916135329 RFWLCKKCDFLDHZ-NTMALXAHSA-N 316.784 4.643 30 20 DJED CC(C)(C)c1ccccc1-c1nnc(-c2cccc(C#N)c2)o1 1117261202 LLOIOHPTBPSSQJ-UHFFFAOYSA-N 303.365 4.573 30 20 DJED Cc1ccc(COc2cc(C#N)ccc2Br)c(C)c1 1307383339 LUNDZEFDSBKFTF-UHFFFAOYSA-N 316.198 4.517 30 20 DJED CCc1oc2ccccc2c1C=NOCc1ncoc1C(C)C 1320524885 ARJSPFCRRGLIJU-UHFFFAOYSA-N 312.369 4.657 30 20 DJED C[C@H](Nc1ncc(C#N)cc1Cl)c1ccc(Cl)c(F)c1 1324644755 OKQQSRMYHLGZLE-QMMMGPOBSA-N 310.159 4.572 30 20 DJED Cc1ccc(NN=Cc2sc(Cl)nc2Cl)cc1Cl 1341143728 CCSXXRKOBUVOFO-UHFFFAOYSA-N 320.632 4.858 30 20 DJED CCC(C#N)(CC)C(=O)OCc1ccc(-c2ccccc2)cc1 1348612200 OQEUZEGZMIUEKS-UHFFFAOYSA-N 307.393 4.727 30 20 DJED N#C[C@H](c1ccccc1)N1CC=C(c2ccccc2Cl)CC1 1459786938 RWDCSAZEDIOKCJ-LJQANCHMSA-N 308.812 4.694 30 20 DJED Cc1ccccc1[C@@H](C)C(=O)N(c1ccc(C#N)cc1)C1CCC1 1461768846 LUUOKXWBDSABMH-MRXNPFEDSA-N 318.420 4.556 30 20 DJED C=C(Cl)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 1472921018 GMQLDZPZPUXWDQ-UHFFFAOYSA-N 321.877 4.624 30 20 DJED CC[C@H](C#N)Oc1cccc(CNC[C@@H]2CCCC(C)(C)C2)c1 1474008196 WYTITYJNNOALSE-QZTJIDSGSA-N 314.473 4.674 30 20 DJED CCCN(Cc1ccc(C#N)c(C)c1)[C@@H](C)c1ccccc1OC 1474373550 AAWWPJTZOFYNHI-KRWDZBQOSA-N 322.452 4.849 30 20 DJED Cc1ccc(F)cc1[C@H](C)OC(=O)CC1(C#N)CCCCC1 1520780151 ONFCQDYMAVBZLN-AWEZNQCLSA-N 303.377 4.603 30 20 DJED Cc1cc(C(=O)Nc2cc3ccccc3cc2C#N)sc1C 1528322489 MVGCHIPTCVBJIL-UHFFFAOYSA-N 306.390 4.642 30 20 DJED CC[C@H](C)CSc1nc2c(c(C#N)c1C#N)CCCCCC2 1559137736 KTNWINBBCMENOQ-ZDUSSCGKSA-N 313.470 4.622 30 20 DJED C[C@@H]1CCCC[C@H]1COc1cc(C#N)ccc1Br 1641344238 IKWIFZLBFLAIRG-YPMHNXCESA-N 308.219 4.526 30 20 DJED N#Cc1ccc(SCc2cc(O)cc(C(F)(F)F)c2)cc1 1652613737 ZZDVKOMOFSRQFT-UHFFFAOYSA-N 309.312 4.575 30 20 DJED C[C@H]1c2cc(Cl)c(Cl)cc2CCN1CCC(C)(C)C#N 1653873823 NRYHYWATDZEYLS-NSHDSACASA-N 311.256 4.852 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1ccc(Cl)c(F)c1 1662601284 UODICIMIKVUYPX-UHFFFAOYSA-N 318.779 4.750 30 20 DJED O=C(O)c1ccc(NN=CC2CCC(c3ccccc3)CC2)cc1 1776012900 VQPIKFKLYHKXEA-UHFFFAOYSA-N 322.408 4.757 30 20 DJED Cc1ccc(C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)cc1 7717909 OAEOPLGGLAHXOL-BUHFOSPRSA-N 316.404 4.694 30 20 DJED Cc1c(C(=O)Nc2ccc(C#N)cc2)oc2ccc(Cl)cc12 18115022 AKNTZTYBOMVKOT-UHFFFAOYSA-N 310.740 4.519 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1ccc(Cl)c(F)c1 48477350 CAKBVZZROHMVME-UHFFFAOYSA-N 324.808 4.761 30 20 DJED C=CCCC(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1 60364885 HOYAZMUWOLVKEO-UHFFFAOYSA-N 320.845 4.600 30 20 DJED CC[C@H](Nc1snc(Cl)c1C#N)c1cc(F)ccc1F 77232880 AKNUQXRPBXFKRO-NSHDSACASA-N 313.760 4.510 30 20 DJED N#CCC[C@H](NCc1cc2cc(F)ccc2o1)c1ccccc1 130439379 AGBPUPXCIVEXEP-SFHVURJKSA-N 308.356 4.707 30 20 DJED N#CCCCOc1cccc(NCc2cccc(Cl)c2F)c1 133262838 AUAUMWHJSAIYIY-UHFFFAOYSA-N 318.779 4.774 30 20 DJED N#Cc1ccc(CN[C@H](c2cccc(Cl)c2)C2CCCC2)o1 135972362 PIROCQCVVVAHJT-SFHVURJKSA-N 314.816 4.826 30 20 DJED Cc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)s1 154289894 NCAXKHFHVPUAIK-UHFFFAOYSA-N 304.440 4.540 30 20 DJED CCCCSCC(=O)Nc1ccccc1S[C@@H](C)CC#N 170992134 HIPPBDFOMORJBU-ZDUSSCGKSA-N 322.499 4.553 30 20 DJED N#Cc1ccc(CNCc2ccc(Oc3ccccc3)cc2)s1 176959798 AWMDTRKRSOEBGT-UHFFFAOYSA-N 320.417 4.702 30 20 DJED CO[C@@H](C)c1nc(CO/N=C/c2ccc(C(C)C)cc2)cs1 177539605 ZNWNWPBTETVAFI-VVSAQIQQSA-N 318.442 4.525 30 20 DJED C=C(C)CSCC(=O)Nc1c(Cl)cccc1C(F)(F)F 177864362 UBPVDXKIOLDOGM-UHFFFAOYSA-N 323.767 4.607 30 20 DJED C=C(C)CSCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 177871158 FJILYZZZZIJCBY-UHFFFAOYSA-N 323.767 4.607 30 20 DJED Cc1cccc([C@H]2CCCN2C(=O)Nc2cccc(C#N)c2C)c1 178565156 GGORLWWQGWRZCI-LJQANCHMSA-N 319.408 4.544 30 20 DJED C[C@H](/N=C(/O)C1CCCCC1)/C(O)=N/[C@@H]1CC12CCCCC2 329092599 AFSFOLMVQCEAQA-DZGCQCFKSA-N 306.450 4.591 30 20 DJED CC[C@@H](NCC(C)(C)CCC#N)c1ccc(OC(F)F)cc1 348235522 ZWRWNTUXAVOGJQ-OAHLLOKOSA-N 310.388 4.659 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(Cl)c(F)c1 442898282 NYZSIZZVIVNBTM-GFCCVEGCSA-N 302.780 4.544 30 20 DJED C[C@@H](SCc1ccn(-c2ccccc2)n1)c1cccc(C#N)c1 443143981 OQEGMEPSZXQRAY-OAHLLOKOSA-N 319.433 4.738 30 20 DJED CC[C@H](NCC1(CCOC)CCCCC1)c1ccc(C#N)cc1 447592314 KPGXSVUMQIXNBT-IBGZPJMESA-N 314.473 4.586 30 20 DJED C[C@@H](N[C@@H]1CCCc2c(F)cc(F)cc21)c1ccc(C#N)cc1 453230837 IDXMWHKXNIECCO-CWTRNNRKSA-N 312.363 4.565 30 20 DJED C[C@@H](c1ccccc1)N(CCCSCC#N)Cc1ccccc1 463222084 HFBFKXABJCNWTM-SFHVURJKSA-N 324.493 4.897 30 20 DJED Cc1cccc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)c1C 464592726 ODWXLEKMORXGIJ-HXUWFJFHSA-N 318.420 4.543 30 20 DJED C=CC[C@@H](CC)NC(=O)N1CCC[C@H]1c1cccc(C)c1C 466376647 LOQILUIIAYTOFC-AEFFLSMTSA-N 300.446 4.505 30 20 DJED CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CC1 475650334 MSMSQUWLDMYNQJ-CABCVRRESA-N 312.457 4.527 30 20 DJED CSc1ccc(CSc2c(C#N)nnc3ccccc23)cc1 480824277 HSZNZRWLKOJGMI-UHFFFAOYSA-N 323.446 4.516 30 20 DJED C[C@H](NCc1ccc(Cl)cc1C#N)c1ccc(F)cc1Cl 480896894 JNLSZDUHQRVMIQ-JTQLQIEISA-N 323.198 4.855 30 20 DJED C=CCSc1ccccc1C(=O)Nc1ccc(C)cc1OC 485756206 PTNYHIJCJHTWJA-UHFFFAOYSA-N 313.422 4.534 30 20 DJED C=CC[C@@H](C(=O)N[C@H](CC)c1ccc(OC)cc1)c1ccccc1 487777759 RALKKVNNPUDFCA-WOJBJXKFSA-N 323.436 4.622 30 20 DJED Cc1ccc(-c2ncc(/C=C/c3ccncc3C#N)s2)cc1 504730656 NEJNPOPOXWMDLK-VOTSOKGWSA-N 303.390 4.556 30 20 DJED N#CCCCCN1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 511138564 NXEINMDWXCZQSN-OAHLLOKOSA-N 310.363 4.579 30 20 DJED C=C(C)[C@@H](N[C@@H](C)Cc1ccc(O)cc1)c1ccc(F)c(F)c1 512652300 LKIPLUJXLMAFKF-ORAYPTAESA-N 317.379 4.508 30 20 DJED C=CCCCCCN(C)C(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl 523575517 XIFVUYFINILAMD-KGLIPLIRSA-N 323.839 4.787 30 20 DJED C=CCCCCCN(C)C(=O)N[C@@H](CC)c1ccc(F)cc1F 524807920 XMJFOGHHQJUFQV-KRWDZBQOSA-N 324.415 4.804 30 20 DJED C[C@H](N[C@@H]1CCc2c(Cl)cccc21)c1ccc(C#N)c(F)c1 539610054 OBIKWAYAFQPOCS-BBATYDOGSA-N 314.791 4.689 30 20 DJED Cc1ccc(-c2cccc(CN3CCC(CC#N)CC3)c2)cc1 542854952 YBXIRFFQGWOTHH-UHFFFAOYSA-N 304.437 4.788 30 20 DJED C=C[C@](C)(CC)c1nc(-c2ccc(Oc3cccnc3)cc2)no1 565897533 NOXIQACGHQWREC-LJQANCHMSA-N 321.380 4.778 30 20 DJED CCc1ccc(CN(CC(C)C)C(=O)CCCCCC#N)cc1 592670967 CQMJNOHPLNDODG-UHFFFAOYSA-N 314.473 4.708 30 20 DJED C[C@@H](C#N)N(C(=O)c1cc(-c2ccccc2)ccc1Cl)C1CC1 598129199 SQMMSNOEBIWJIB-ZDUSSCGKSA-N 324.811 4.524 30 20 DJED N#Cc1ccccc1NCc1cccc(Br)c1Cl 600848183 DUSPZBHDGKLISZ-UHFFFAOYSA-N 321.605 4.586 30 20 DJED C[C@]1(C#N)CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1 612036480 CAQUNNNSFDQQPH-HXUWFJFHSA-N 319.408 4.511 30 20 DJED C[C@H]1CC[C@@H](NCc2ccc(C#N)c(Cl)c2)c2ccccc21 619754463 AFRPXGHTYZQCGD-ORAYPTAESA-N 310.828 4.940 30 20 DJED C=CCN(C(=O)c1cccc(-c2csc(C)n2)c1)C(C)(C)C 622944213 JQQGLGMMRZDAPS-UHFFFAOYSA-N 314.454 4.545 30 20 DJED CCCCc1ccc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)cc1 647373315 FUAYJPMPBAPWLA-INIZCTEOSA-N 324.449 4.853 30 20 DJED O=C1/C(=C\c2cccc(C(F)(F)F)c2)CCOc2ccccc21 728442129 WYENFGLGCMIWIQ-RAXLEYEMSA-N 318.294 4.754 30 20 DJED COc1ccc(/C=C\C(=O)c2sccc2C)c(OC(F)F)c1 734094803 GWNGTIMSXJTGAC-XQRVVYSFSA-N 324.348 4.563 30 20 DJED O=C1/C(=C\c2cccc(OC(F)F)c2)Cc2cc(Cl)ccc21 742437730 QMNJDLHYTRWLFT-SDQBBNPISA-N 320.722 4.764 30 20 DJED C=CCCCNc1ccc(Cl)cc1[C@H](O)c1ccccc1 746051303 JMVQDCJZAJJFKZ-GOSISDBHSA-N 301.817 4.800 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccc(Br)c(C)c2)o1 746394932 UEOCITUPRAAHOL-FNORWQNLSA-N 305.171 4.555 30 20 DJED CCN(C)c1ccc(C(=O)/C=C/c2nccc3ccccc23)cc1 748440482 DALKEHKLJCGIFO-OUKQBFOZSA-N 316.404 4.587 30 20 DJED N#Cc1ccc(-c2ccc(OCc3ccnc(Cl)c3)cc2)cc1 748583552 GBOJEXCZWIQRBU-UHFFFAOYSA-N 320.779 4.853 30 20 DJED COc1cc(F)ccc1NN=Cc1c(Cl)oc2ccccc12 761891004 SDEDUAGQMQZJGL-UHFFFAOYSA-N 318.735 4.680 30 20 DJED Cc1ccc([C@H](C)N(C)Cc2ccc(O[C@H](C)C#N)cc2)c(C)c1 768269359 RTLGSFYELCYFRU-MSOLQXFVSA-N 322.452 4.787 30 20 DJED CC(C)CC1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 768996289 SJPHGDPAKDTIQC-UHFFFAOYSA-N 319.836 4.502 30 20 DJED O=C(/C=C/c1ccc(-c2ccccc2F)s1)c1ccncc1 776188492 TYCZQKFGSGIDIL-FNORWQNLSA-N 309.365 4.845 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2csc3ccccc23)cc1F 776727340 WKQWNJOPYPTCHB-BQYQJAHWSA-N 307.349 4.808 30 20 DJED O=C(/C=C\c1cc(F)c(F)c(F)c1)c1csc(Cl)c1 787187261 ZQABLGFIDNRLBG-UPHRSURJSA-N 302.704 4.715 30 20 DJED Cc1c(C(=O)/C=C\c2cccc(Cl)c2Cl)cnn1C(C)C 787187594 RTGGZQQUFPCUJL-FPLPWBNLSA-N 323.223 4.975 30 20 DJED FCC[C@H]1CCCC1=NNc1ccnc2cc(Cl)ccc12 794858414 IKWSSDUUGXXODG-LLVKDONJSA-N 305.784 4.816 30 20 DJED CC(=NNc1ncccc1F)c1cc(F)c(Cl)cc1Cl 794983674 DMWGWEDIBZVYEL-UHFFFAOYSA-N 316.138 4.503 30 20 DJED N#CC[C@@H](CC(=O)Oc1ccc2c(c1)CCCC2)c1ccccc1 796790392 XGJMMASUAXFWSQ-IBGZPJMESA-N 319.404 4.558 30 20 DJED Cc1ccc([C@@H]2CCCCN2c2nc(Cl)c(C#N)s2)cc1 804535894 OAPASHFKYRUOPN-ZDUSSCGKSA-N 317.845 4.708 30 20 DJED C=CCC(F)(F)C(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 815745987 UFAFGFZCBTWQHL-NEPJUHHUSA-N 315.791 4.502 30 20 DJED Clc1ccccc1NN=Cc1cc(Br)cs1 916262362 JAXVFJVEMXMLSB-UHFFFAOYSA-N 315.623 4.610 30 20 DJED O=C1/C(=C/c2ccccc2OC(F)(F)F)Cc2c(F)cccc21 921264471 UOPPBFCUNGFOLW-DHZHZOJOSA-N 322.257 4.547 30 20 DJED C[C@H](NCc1ccc(F)cc1C#N)C1(c2ccccc2)CCCC1 1169382621 LEDDDZLUTBGIOB-INIZCTEOSA-N 322.427 4.687 30 20 DJED Cc1cc([C@@H](Nc2nc(C#N)c(Cl)s2)C2CC2)ccc1F 1185847493 GPBDGWPAMJOKJG-ZDUSSCGKSA-N 321.808 4.679 30 20 DJED C[C@@]1(c2ccccc2)CC[C@@H](Nc2ccc(OCC#N)cc2)C1 1255466867 DQRPQNIPMYGXQM-UYAOXDASSA-N 306.409 4.511 30 20 DJED Cc1c(C#N)cccc1C(=O)OCc1ccc(Cl)cc1Cl 1457267267 NFSRUKVXNXDHGJ-UHFFFAOYSA-N 320.175 4.531 30 20 DJED N#Cc1cccc(C#N)c1N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 1458434262 XWIQSEHMNWAQAI-KBXCAEBGSA-N 321.811 4.832 30 20 DJED CC(C)c1ccc(C(C)(C)NCCc2ccc(C#N)cc2)cc1 1460419416 SNVUBXAZAZTTRD-UHFFFAOYSA-N 306.453 4.749 30 20 DJED C=C(CNC(=O)N[C@@H](CCC(C)C)C(C)(C)C)c1ccccc1 1468841851 NQENIKMDEGILFV-SFHVURJKSA-N 316.489 4.850 30 20 DJED CCN(C(=O)c1ccc(C2CC2)cc1)[C@H](C)c1ccc(C#N)cc1 1527009220 FHFPOMUWYMZAGI-OAHLLOKOSA-N 318.420 4.659 30 20 DJED CC(C)CCC[C@@H](C)N(CCC(C)C)C(=O)c1cc(C#N)c[nH]1 1630230182 JOEQESHLJRBABW-MRXNPFEDSA-N 317.477 4.589 30 20 DJED Cc1cc(C)c2nc(N(CCC#N)CCC(C)C)sc2c1 1642484112 ZDAORMZQOCNLJH-UHFFFAOYSA-N 301.459 4.679 30 20 DJED Cc1c(Cl)cnc(N2CCCC[C@@H]2c2ccccc2)c1C#N 1642538237 ULASITOUMRSGOB-QGZVFWFLSA-N 311.816 4.647 30 20 DJED C=C(Br)CN1CC[C@H](Cc2ccc(C(C)C)cc2)C1 1642618150 TXJSAIZYHQIZND-MRXNPFEDSA-N 322.290 4.583 30 20 DJED C=C(Cl)CSc1nccn1-c1ccc(C(F)(F)F)cc1 1643706604 PYHJJOMWDMHKOB-UHFFFAOYSA-N 318.751 4.736 30 20 DJED CC[C@H](Nc1nc(C#N)c(Cl)s1)c1cc(C)ccc1C 1652132676 ZKWKLLMSTXDAMW-LBPRGKRZSA-N 305.834 4.848 30 20 DJED N#CC1(CCN2CCC[C@H]2c2cccc(F)c2)CCCCC1 1652310638 MGGULQLYXICYOW-SFHVURJKSA-N 300.421 4.827 30 20 DJED CC(C)CN(Cc1ccc(CC#N)cc1)Cc1ccccc1F 1653243071 WEQCJCYHUBGHND-UHFFFAOYSA-N 310.416 4.550 30 20 DJED CCOc1ccc([C@@H]2CCCN2Cc2ccc(C#N)c(C)c2)cc1 1658727249 JNODISBWBLHFJK-NRFANRHFSA-N 320.436 4.603 30 20 DJED CN(CCc1cccc2ccccc12)Cc1cccc(F)c1C#N 1658923413 HFFVWEMUTAGADV-UHFFFAOYSA-N 318.395 4.525 30 20 DJED N#Cc1cccc(CNc2ccc(Br)cc2Cl)c1 37388901 UMNYMEBMAGYYRN-UHFFFAOYSA-N 321.605 4.586 30 20 DJED C=CCN(CCc1ccccc1)C(=O)Nc1cccc(C)c1C 62368398 VSSITBCTVOGQBY-UHFFFAOYSA-N 308.425 4.566 30 20 DJED N#CCCCOc1cccc(NCc2cc(Cl)ccc2F)c1 160086556 LDDLBUVCONYVPD-UHFFFAOYSA-N 318.779 4.774 30 20 DJED C=CCN(CC=C)C(=O)Nc1cccc(CSC(C)C)c1C 173878076 ZSKVPODBOTXBTP-UHFFFAOYSA-N 318.486 4.843 30 20 DJED Cc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1-c1ncco1 180005551 MRPLZRYEYAKMIE-AWEZNQCLSA-N 303.365 4.695 30 20 DJED O=C(/C=C\c1cccs1)c1ccc(-c2ccc(C(=O)O)o2)cc1 213623021 MQFGJWGBYRBOKS-FPLPWBNLSA-N 324.357 4.602 30 20 DJED C[C@@H](NCc1cc(Cl)sc1Cl)c1ccc(C#N)cc1 312630583 TTZKNHAOSVQBMO-SECBINFHSA-N 311.237 4.777 30 20 DJED Cc1ccc(C(F)(F)F)cc1NCc1ccc(C#N)cc1F 317073883 ZQVTWCTXIPSFKD-UHFFFAOYSA-N 308.278 4.637 30 20 DJED COc1cc(C)ccc1[C@@H](C)Nc1cccc(OCCCC#N)c1 324407191 UVDDSZPFGKUWBA-MRXNPFEDSA-N 324.424 4.859 30 20 DJED N#Cc1c(N=C(O)[C@H]2CCCCS2)sc2c1CCCCC2 329337208 PRCCAULDPAWHLA-CQSZACIVSA-N 320.483 4.762 30 20 DJED C[C@@H](SCc1nc(C2CC2)cs1)c1ccc(C#N)cc1 342567896 MSZJYDKRZBBVNE-LLVKDONJSA-N 300.452 4.887 30 20 DJED N#CCCCOc1cccc(CN2CCC[C@@H]2c2ccccc2)c1 349752090 ZNEUIPTVLVFKJU-OAQYLSRUSA-N 320.436 4.706 30 20 DJED C[C@H](CCC#N)N[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 411723035 WAPZSKCNLOZJDB-KCXAZCMYSA-N 310.363 4.623 30 20 DJED CC[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc(Cl)s1 426904797 KNLSPJWCVDKCRN-LLVKDONJSA-N 321.789 4.745 30 20 DJED C[C@H](NCc1ccc(F)c(Cl)c1Cl)c1ccc(C#N)cc1 432239844 HIKQAASRQVYWBN-JTQLQIEISA-N 323.198 4.855 30 20 DJED C=CCCCCCSc1nnc(-c2ccncc2)n1CCC 447310866 CEXQPPBSADLGHG-UHFFFAOYSA-N 316.474 4.589 30 20 DJED N#Cc1cccc(Cl)c1N[C@@H]1CCSc2c(F)cccc21 462929838 SRTXOQFIHSMAPJ-CQSZACIVSA-N 318.804 5.000 30 20 DJED CCCCN(C)C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 464864614 PWGUUGSSWJJMOB-UHFFFAOYSA-N 322.408 4.531 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1sc(-c2ccccc2)nc1C 467914529 RSLRFRMQRDMCDF-QGZVFWFLSA-N 300.427 4.659 30 20 DJED CC(C)(CCC#N)CNCC(C)(C)c1cccc(Cl)c1F 469563524 JQHPHSZZGYJYGJ-UHFFFAOYSA-N 310.844 4.676 30 20 DJED C=C(C)CN(Cc1ccccc1)Cc1cc(-c2ccco2)on1 470911030 OHKQMTNCPPBXKA-UHFFFAOYSA-N 308.381 4.513 30 20 DJED Cc1ccc2[nH]c(CN[C@@H](C)c3ccc(C#N)cc3)cc2c1C 472047537 KTNWMADBODGTCG-HNNXBMFYSA-N 303.409 4.507 30 20 DJED CC(C)(C#N)c1ccc(C(=O)Nc2cccc(C(F)F)c2)cc1 475524215 HNYNDSVLUNNFBT-UHFFFAOYSA-N 314.335 4.678 30 20 DJED CC(C)CC[C@@H]1CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 476371176 BJGWHSATHOFIGV-SFHVURJKSA-N 312.457 4.529 30 20 DJED C=C(C)[C@H](NCc1nc(C2CC2)cs1)c1ccc(F)c(F)c1 481610611 QRAGADQIICEENG-KRWDZBQOSA-N 320.408 4.706 30 20 DJED C=CCC(CC=C)C(=O)Nc1cnn(CCCC)c1C(C)C 482698865 SPBAPLNGUFOUPG-UHFFFAOYSA-N 303.450 4.514 30 20 DJED C=C(C)[C@@H](CC(=O)N(c1ccsc1)C1CCCCC1)OCC 487246098 XIMXDPZKTZBBKU-QGZVFWFLSA-N 321.486 4.785 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1cc(Cl)cs1 494921340 LCBWESAJWGMISB-UHFFFAOYSA-N 304.846 4.684 30 20 DJED C=CCC(CC=C)C(=O)N(CC1CCCCC1)c1ccccn1 507971154 XTJDOVBFUPIRLX-UHFFFAOYSA-N 312.457 4.763 30 20 DJED N#CCCCCN(Cc1ccccc1C(F)(F)F)CC1CC1 511073079 NSXXVRJWRDIIAW-UHFFFAOYSA-N 310.363 4.611 30 20 DJED C[C@H](CCc1ccc(F)cc1F)N[C@H](C)c1ccc(C#N)cc1 513648276 QJKIESAIHJVRLY-ZIAGYGMSSA-N 314.379 4.508 30 20 DJED C=CCCN[C@@H](c1ccc(OC)cc1)c1ccccc1Cl 525356879 XCWLQTVGYAJMQT-SFHVURJKSA-N 301.817 4.604 30 20 DJED C[C@H](Sc1ccc(C#N)cc1)c1nccn1-c1ccccc1 561441999 XYGCFWXRQSAGEF-AWEZNQCLSA-N 305.406 4.597 30 20 DJED C=CCCO[C@@H](C)c1nc(-c2cc3cc(Cl)ccc3[nH]2)no1 573794157 LVNJXDPFMOEAGC-JTQLQIEISA-N 317.776 4.525 30 20 DJED CCC[C@@H](C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609063882 DZLPSMITDVWYEG-OAHLLOKOSA-N 322.408 4.512 30 20 DJED CC(C)n1cc([C@@H](C)Nc2ccc(C#N)c(C(F)(F)F)c2)cn1 609586025 QQFGBJGCHWIZOJ-LLVKDONJSA-N 322.334 4.528 30 20 DJED CC(C)(C#N)CCSCc1nc(-c2cccc(Cl)c2)no1 616296272 LBNDTLGMFWAIQI-UHFFFAOYSA-N 321.833 4.563 30 20 DJED Cc1ccc2c(C(=O)N[C@H](C)c3cccc(C#N)c3)csc2c1 619493093 CGQFAXPOEXDAAQ-CYBMUJFWSA-N 320.417 4.572 30 20 DJED C=CCN(C(=O)Nc1c(C)cc(C(F)(F)F)cc1C)C1CC1 640767077 JACBKNIVCHIVLN-UHFFFAOYSA-N 312.335 4.505 30 20 DJED CCCCCC[C@@H](C)C(=O)N(Cc1ccc(C#N)cc1)C(C)C 741898984 JXRMWEBJLBYPPX-QGZVFWFLSA-N 314.473 4.902 30 20 DJED CC(=NNc1ccc(C)cc1)c1ccc(-c2ccncc2)cc1 745193153 HFHYOKGOJOXGID-UHFFFAOYSA-N 301.393 4.893 30 20 DJED CCCCCCCCCN(C)C(=O)c1ccc2c(c1)COC2 747379546 NGMMCWYNSXOGHL-UHFFFAOYSA-N 303.446 4.539 30 20 DJED CCCCCCCC(=O)N1CCC[C@H]1CC(=O)c1cccs1 751187108 BEEDHMZJCIOJJS-HNNXBMFYSA-N 321.486 4.672 30 20 DJED COc1ccc(NN=CCCc2c(F)cccc2Cl)cc1 755802177 QGMAYKPAUZYKEU-UHFFFAOYSA-N 306.768 4.518 30 20 DJED O=C(O)c1ccc(C(=O)/C=C/c2cc3ccccc3s2)s1 758430340 QEYACAQOFKECEQ-AATRIKPKSA-N 314.387 4.557 30 20 DJED CCn1nc(/C=C2/Cc3ccc(Cl)cc3C2=O)c2ccccc21 769747165 WUJOFWHVSYAXRL-RAXLEYEMSA-N 322.795 4.532 30 20 DJED CCCCC[C@@H](CC)C(=O)N[C@@H](CCC#N)c1ccccc1 775781397 BMKKQDHVQGPIIX-AEFFLSMTSA-N 300.446 4.754 30 20 DJED CC(=NOCC(F)(F)F)c1ccccc1SC(C)(C)C 788434088 GEKYBVMJMNOHMR-UHFFFAOYSA-N 305.365 4.880 30 20 DJED O=C(/C=C\c1ccnc(Cl)c1Cl)c1cccc(Cl)c1 791435101 PAPSSALCEWYWGV-PLNGDYQASA-N 312.583 4.938 30 20 DJED CSc1ccc([C@H](C)Nc2nc(Cl)c(C#N)s2)cc1 804684188 RUQUHFMWGDWPNZ-QMMMGPOBSA-N 309.847 4.563 30 20 DJED C#CCC(C)(C)c1nc(-c2ccccc2OCC2CCCC2)no1 809434571 ACUSSXQUSZISIZ-UHFFFAOYSA-N 324.424 4.607 30 20 DJED C(=NOCc1ccccc1)c1ccc(OCc2ccccc2)cc1 849850335 PGODEOIAZUOKAB-UHFFFAOYSA-N 317.388 4.816 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccccc2OC(F)F)c(C)c1 916155820 DKHVJQUYIJXZQS-CSKARUKUSA-N 302.320 4.801 30 20 DJED CC(=NNc1ccc2ccccc2n1)c1nc2ccccc2s1 917564752 HHVZLFOOCCZLJY-UHFFFAOYSA-N 318.405 4.681 30 20 DJED N#Cc1cccc(N[C@H](CCc2ccccc2)c2ccccc2)n1 1162200043 BPURTSGARAVAMI-HXUWFJFHSA-N 313.404 4.739 30 20 DJED Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)c1cc(C#N)oc1C 1272320460 PLBANGGXKJINHI-HNNXBMFYSA-N 324.424 4.628 30 20 DJED C=CC[C@H](C)NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 1318540538 XUCJBYLAOCRTFM-NSHDSACASA-N 320.776 4.562 30 20 DJED C=CCC(C)(C)c1nnc(CSc2ccc(Cl)cc2)o1 1330075618 TVWMXAYFIYTULX-UHFFFAOYSA-N 308.834 4.869 30 20 DJED CCC[C@H](C(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccccc1 1457188787 CJXWCANXSRZIIY-BEFAXECRSA-N 307.393 4.746 30 20 DJED CCCC[C@H](CC)COc1ccc(Br)c(C#N)c1 1459291636 PEUOLPWSPXGNEH-LBPRGKRZSA-N 310.235 4.916 30 20 DJED Cc1cc(CNC2(Cc3ccc(Cl)cc3)CCC2)ccc1C#N 1461538674 PWSKKBCILOLGAW-UHFFFAOYSA-N 324.855 4.775 30 20 DJED Cc1csc(NC(=O)c2ccc(Cl)c3occc23)c1C#N 1525674970 QKSKGEOWKUIUHY-UHFFFAOYSA-N 316.769 4.580 30 20 DJED CCC[C@H](CC1CCCCC1)C(=O)N1CCc2ccc(C#N)cc21 1527834081 FZAPALDMRXYINW-LJQANCHMSA-N 324.468 4.834 30 20 DJED Cc1nc(N[C@@H]2CCC[C@@H]2c2ccccc2)c(Cl)cc1C#N 1559256623 OTYRPXAQXRSCOO-NVXWUHKLSA-N 311.816 4.663 30 20 DJED CCOc1ccc(C#N)cc1N[C@H]1CC[C@@H](Cc2ccccc2)C1 1621238964 JHENNUHGROMBFX-HKUYNNGSSA-N 320.436 4.780 30 20 DJED N#Cc1ccc(CCN[C@H]2CCCC[C@H]2C2CCCCC2)cc1 1621435087 PFNMRWHXGWGSJT-SFTDATJTSA-N 310.485 4.829 30 20 DJED Cc1ccc(C#N)c(Nc2ccccc2COc2ccccc2)n1 1639317520 JFYGWYSEBITHCS-UHFFFAOYSA-N 315.376 4.584 30 20 DJED CCCC[C@H](CC)COC(=O)CSCc1ccccc1C#N 1643656081 HBBWFTXSMNKGGP-HNNXBMFYSA-N 319.470 4.551 30 20 DJED CC(C)(C)c1ccc(C#N)c(OCc2cccc(C(F)F)c2)n1 1644024952 CGRXFMIVQJCBTK-UHFFFAOYSA-N 316.351 4.767 30 20 DJED Cc1cc(N2CCCC[C@@H]2C)ccc1Nc1ccc(C#N)c(C)n1 1651644307 FPFRBGQWXFHVKQ-HNNXBMFYSA-N 320.440 4.693 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1cccc2ncccc12 1652051063 ZKEZCZYWCLMPNQ-UHFFFAOYSA-N 308.768 4.647 30 20 DJED N#Cc1cnc(NC(C2CCCC2)C2CCCC2)c(Cl)c1 1655878773 JUUAAVKOXSPKFL-UHFFFAOYSA-N 303.837 4.768 30 20 DJED CSc1ccccc1[C@@H](C)NC1CC(C#N)(c2ccccc2)C1 1658984160 HPKDLDRCKJRWPA-XRTORIHISA-N 322.477 4.683 30 20 DJED CCOc1ccc(/C=C/C(=O)c2cc3ccccc3o2)cc1OC 7744936 UHDNAMFIFNYBDW-CSKARUKUSA-N 322.360 4.736 30 20 DJED N#Cc1ccc(CNc2ccc(-c3ccccc3)cc2F)cc1 25715020 MXWBTQISNFQPEX-UHFFFAOYSA-N 302.352 4.976 30 20 DJED Cc1cc(NCc2ccc(O[C@H](C)C#N)cc2)ccc1OC(C)C 151883621 PMSMRUDUMXNIHV-MRXNPFEDSA-N 324.424 4.685 30 20 DJED CC(C)c1ccccc1NC(=O)N[C@@H](CCC#N)c1ccccc1 159670411 BTARBDSOKYAKMB-SFHVURJKSA-N 321.424 4.977 30 20 DJED N#Cc1csc(/C=C/C(=O)c2cccc(-c3ccncc3)c2)c1 176844754 DNNIXHMTXNIRCQ-SNAWJCMRSA-N 316.385 4.578 30 20 DJED C[C@@H](NCc1ccccc1OC1CCCC1)c1cccc(C#N)c1 181533590 RALJXAMQQWMEMK-MRXNPFEDSA-N 320.436 4.730 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1ccc(Cl)c(Cl)c1 187517939 OKIFEKBTBSASKD-UHFFFAOYSA-N 313.228 4.538 30 20 DJED C[C@H](SCc1csc(C2CC2)n1)c1cccc(C#N)c1 190819410 WKJSXIVAINAMAX-NSHDSACASA-N 300.452 4.887 30 20 DJED N#CCCCOc1cccc(N[C@@H](c2ccccc2)C2CC2)c1 194334353 QMYNBXMGDDSNJT-FQEVSTJZSA-N 306.409 4.932 30 20 DJED C[C@H]1CC[C@H](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 246483118 GSUPKAXRJXUNRB-ZNMIVQPWSA-N 316.470 4.703 30 20 DJED CC(=O)c1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1 252462705 VNAYYFPJOUJOGK-UHFFFAOYSA-N 308.164 4.652 30 20 DJED COc1ccc(Cl)cc1[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 268782852 BHNSMNASAFMOEU-STQMWFEESA-N 314.816 4.632 30 20 DJED Cc1cscc1C(=O)Nc1sc(C(C)(C)C)cc1C#N 297700017 HZSOYRLSEXHCIK-UHFFFAOYSA-N 304.440 4.540 30 20 DJED C=CCOCCCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 298256164 FGZIAHITBZKTEC-UHFFFAOYSA-N 322.619 4.568 30 20 DJED C[C@H](Nc1ccc(C#N)c(Br)c1)[C@H]1C[C@H]2CC[C@H]1C2 300295947 UASTUZOFCFTYKX-JUFZMCDQSA-N 319.246 4.557 30 20 DJED C=C(C)CN(CC)C(=O)CC(c1ccccc1)c1ccccc1 301997294 MNHOZIRDTFAFPD-UHFFFAOYSA-N 307.437 4.633 30 20 DJED C[C@H]1C[C@@H](Nc2cccc(CC#N)c2)c2ccsc2S1 313409683 LSBVBEBZXLAUJG-XHDPSFHLSA-N 300.452 4.852 30 20 DJED CC[C@@H]1CCCC[C@@H]1/N=C(/O)c1ccc2c(c1)N=C(O)C2(C)C 328748038 LWYBEJINHSYTRU-DOMZBBRYSA-N 314.429 4.839 30 20 DJED CC(C)C[C@](C)(C#N)/N=C(/O)c1cc(Cl)sc1Cl 330764547 RSDNSODGAMIKLX-GFCCVEGCSA-N 305.230 4.688 30 20 DJED C[C@@H](N[C@H](CC(F)F)c1ccccc1)c1ccc(C#N)cc1F 421872467 GVRPYUPEGIGDIF-SJKOYZFVSA-N 318.342 4.744 30 20 DJED C=C(C)C(C)(C)C(=O)Nc1cc(NC(=O)CCC)ccc1Cl 424747268 MVHKXBPJOAHJPX-UHFFFAOYSA-N 322.836 4.619 30 20 DJED CCS[C@H]1CCCC[C@H]1NCc1ccccc1C(C)(C)C#N 429675271 XBQXSKNJGMZGFP-MSOLQXFVSA-N 316.514 4.642 30 20 DJED N#CCc1cccc(NCc2ccccc2OC2CCCC2)c1 449689737 LBKFEWOPTDETTK-UHFFFAOYSA-N 306.409 4.686 30 20 DJED C=CCCN(C)C(=O)NC(c1ccccc1C)c1ccccc1C 467094727 JCGXKBPQEHJBDO-UHFFFAOYSA-N 322.452 4.610 30 20 DJED Cc1c(C#N)cccc1NC(=O)N(C1CC1)[C@H](C)c1ccccc1 478073150 WGFTXLKDXRVICB-OAHLLOKOSA-N 319.408 4.624 30 20 DJED C=CCC1(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)CCC1 478077495 CHYZQWSHVUMUNX-UHFFFAOYSA-N 303.833 4.577 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1ccccc1OC1CCCC1 488339028 WMIWYAZIPDYJFT-HNNXBMFYSA-N 314.429 4.580 30 20 DJED C=CCC(C)(C)CNC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 489714614 LMRDOBAEEJWMNO-GFCCVEGCSA-N 313.363 4.527 30 20 DJED C=CCN(C(=O)[C@@H](C)C(C)C)c1nc(-c2ccccc2)cs1 497531333 CXJCTUGOJHIWPN-AWEZNQCLSA-N 314.454 4.621 30 20 DJED C[C@@H](NC(=O)Nc1cccc(C#N)c1)c1cc2ccccc2s1 502068973 DDIFUTLFTAHHMA-GFCCVEGCSA-N 321.405 4.656 30 20 DJED C=CCN(CC=C)C(=O)Nc1ccc2c(ccn2CC(C)C)c1 509974261 GOFYWARDBCFERJ-UHFFFAOYSA-N 311.429 4.503 30 20 DJED CC(C)[C@H](CNCC(C)(C)CCC#N)c1ccc(Cl)cc1 513018270 XUVXMNVOVSBEPL-KRWDZBQOSA-N 306.881 4.999 30 20 DJED N#Cc1c(CSc2c(F)cc(F)cc2F)cn2ccccc12 515593511 VEOMQOALBIMOEY-UHFFFAOYSA-N 318.323 4.521 30 20 DJED N#Cc1cccc(CSCc2cccc(OC(F)F)c2)c1 517937382 DXHZBRQDPYNKMU-UHFFFAOYSA-N 305.349 4.593 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CCC(Cc2cccc(F)c2)CC1 522832972 BGSXXBSOQFNSEG-MRXNPFEDSA-N 322.427 4.713 30 20 DJED C=CC[C@@H](C)NCc1cn(-c2ccccc2)nc1-c1ccccc1 523941037 LUTSMSMMYOZMAN-QGZVFWFLSA-N 317.436 4.594 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)C[C@@H](C=C)c1ccccc1 533922079 FTHANHQHIORCED-QGZVFWFLSA-N 323.411 4.700 30 20 DJED COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2CCCC#N)c1 544125420 IEMWAMNBPICOQB-NHCUHLMSSA-N 320.436 4.530 30 20 DJED CC[C@H](CC#N)NC(=O)c1ccc(Sc2ccccc2C)cc1 545153167 DHRQLCWQYHXPJG-MRXNPFEDSA-N 324.449 4.568 30 20 DJED CC[C@@H](CC(F)(F)F)NCc1cc(C(F)(F)F)ccc1F 546178517 GCRLEWHKIZHULU-JTQLQIEISA-N 317.248 4.665 30 20 DJED CC(C)(C)c1nc2cc(NC(=O)CCCCCC#N)ccc2o1 588149723 ODWVWWNJUWTAHH-UHFFFAOYSA-N 313.401 4.538 30 20 DJED CC(C)c1nc2ccc(NC(=O)CCCCCC#N)cc2s1 588154003 IOHQIPAGMQGBSS-UHFFFAOYSA-N 315.442 4.832 30 20 DJED CCC(CC)(NC(=O)CCCCCC#N)c1ccc(Cl)cc1 588907504 PMAQLBYLLBUACI-UHFFFAOYSA-N 320.864 4.946 30 20 DJED Cc1ccc(-c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)c(F)c1 589143781 XYKJJTIJVWADLS-UHFFFAOYSA-N 321.355 4.652 30 20 DJED N#C[C@@H](N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)c1ccccc1 595510019 JAMQXJTVZMTXAN-QZTJIDSGSA-N 314.791 4.785 30 20 DJED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CC(C)C 603532647 IVCLUVOQYJIOGG-UHFFFAOYSA-N 324.399 4.585 30 20 DJED CC[C@H](CC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccc(C)cc1 610364754 UKWJVQOHGQDPAH-SJLPKXTDSA-N 320.436 4.628 30 20 DJED CSCc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 615095110 RYQHCBKIEFZQEG-HXUWFJFHSA-N 322.477 4.588 30 20 DJED COc1cccc2c(S[C@H](C)c3cccc(C#N)c3)ccnc12 615466748 ISLIUNWOOITYBL-CYBMUJFWSA-N 320.417 4.968 30 20 DJED Cc1cc(Cl)c2ncc(C#N)c(N[C@H]3CCC(F)(F)C3)c2c1 619792800 WHJNRHCRIDQWJL-NSHDSACASA-N 321.758 4.668 30 20 DJED C#Cc1cccc(NC(=S)N[C@@H](CC(C)C)c2ccccc2)c1 726445710 YMGCERKTSJMKOM-IBGZPJMESA-N 322.477 4.742 30 20 DJED CCCCCCCC(=O)N[C@@H](c1ccccc1)c1nccs1 728849169 DBBOCIJTYDDSQG-KRWDZBQOSA-N 316.470 4.709 30 20 DJED CCCCCCCC(=O)OCc1csc(-c2ccoc2)n1 731068967 BWCBHFSNCJONMQ-UHFFFAOYSA-N 307.415 4.807 30 20 DJED Cc1ccc2[nH]cc(C=NNc3nccc4sccc34)c2c1 735612418 KEKWQLUOJMIJTG-UHFFFAOYSA-N 306.394 4.532 30 20 DJED COc1ccc(/C=C\C(=O)c2cc3ccccc3o2)cc1Cl 741469448 SDKALUNOTZNESB-VURMDHGXSA-N 312.752 4.991 30 20 DJED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C)CCCCCC 741912889 SXHBKLSASQJRKJ-QGZVFWFLSA-N 312.457 4.679 30 20 DJED N#Cc1ccc2c(c1)CC/C(=C\c1ccc(Cl)c(F)c1)C2=O 742437753 QTRHWNNCLMPTAL-VGOFMYFVSA-N 311.743 4.563 30 20 DJED CC(C)n1cc(C(=O)/C=C\c2ccccc2OC2CCCC2)cn1 746686501 HEOZJPGHAVRWOT-QXMHVHEDSA-N 324.424 4.682 30 20 DJED N#Cc1ccccc1/C=C\C(=O)c1ccc(-c2ccncc2)cc1 755601033 LVRHALDJIWTDCB-KTKRTIGZSA-N 310.356 4.516 30 20 DJED O=C(/C=C/C=C\c1ccc(F)cc1F)c1ccc(F)cc1F 758016165 KPJMUPJUBUVZPW-HSFFGMMNSA-N 306.258 4.695 30 20 DJED O=C(/C=C/c1nc(Cl)cs1)c1cc2c(s1)CCCC2 759083797 QPDAHJYHUFQCJS-AATRIKPKSA-N 309.843 4.633 30 20 DJED O=C(/C=C/c1nc2ccc(F)cc2s1)c1cc(F)ccc1F 761478245 OEEAGZVSEQRRFL-AATRIKPKSA-N 319.307 4.610 30 20 DJED Cc1ccc(C(=O)/C=C/c2cscc2Cl)cc1[N+](=O)[O-] 771846447 NCJGPKIPIGDFOW-SNAWJCMRSA-N 307.758 4.514 30 20 DJED C#CC[C@H](N[C@@H]1CC2(CCC2)Oc2ccccc21)c1ccccc1 773118166 YONVCMKEJMEUBZ-VQTJNVASSA-N 317.432 4.787 30 20 DJED Cc1cc(C(=O)/C=C/c2cccs2)sc1Br 794733040 MIFXPRCKWJOCMB-SNAWJCMRSA-N 313.241 4.777 30 20 DJED C=CCN(C(=O)Nc1ccccc1-c1csc(C)n1)C(C)C 797668483 BJMBSKQELZZUSJ-UHFFFAOYSA-N 315.442 4.547 30 20 DJED CN(c1ccccc1)c1ccc(/C=C\C(=O)c2cccs2)cn1 797788682 RNPHSPXBMWILLX-LUAWRHEFSA-N 320.417 4.807 30 20 DJED C[C@@H](C#N)OCCS[C@H](C)c1ccc(Cl)cc1Cl 802750036 VGWHIPNPPQULJX-VHSXEESVSA-N 304.242 4.716 30 20 DJED CCCCCCCCCC(=O)N1CCCC[C@@H]1c1nc(C)no1 804858331 SXTDQFOPLMLLKT-MRXNPFEDSA-N 321.465 4.572 30 20 DJED C#Cc1ccc(CN[C@@H](CC(F)(F)F)c2ccccc2C)cc1 809655431 KHAPYJAYTWHXML-SFHVURJKSA-N 317.354 4.760 30 20 DJED CC(C)c1ccc(C=NOCc2cccc3cccnc23)cc1 809835973 HSAGJVKERPJOOS-UHFFFAOYSA-N 304.393 4.909 30 20 DJED CC[C@H](NCC(C)(C)CC#N)c1ccc(Cl)c(Cl)c1O 840787732 OTAZVCPGOAMEOO-LBPRGKRZSA-N 315.244 4.680 30 20 DJED N#CC1(CCCCSCc2nnc(C3CC3)s2)CCC1 901796930 XTYNWVDIFJUKQV-UHFFFAOYSA-N 307.488 4.513 30 20 DJED Cc1ccc(C(=O)/C=C\c2csc(Br)c2)s1 913617604 NKZVKHMMVMGLLG-ARJAWSKDSA-N 313.241 4.777 30 20 DJED Cc1cc(-c2ccccc2)ccc1N=Cc1ccc(O)c(O)c1O 914701588 MHBIQKGGEGFSFQ-UHFFFAOYSA-N 319.360 4.529 30 20 DJED C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCCC2)C(C)(C)C 1125266044 LUDUSZIQLOVEIC-LBPRGKRZSA-N 318.486 4.899 30 20 DJED CCC[C@@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)C)C2 1129398863 WFKWUUFLXBJLDC-CHWSQXEVSA-N 318.486 4.755 30 20 DJED CC[C@@H](C#N)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 1136075698 FTJWEFLCIQPMRX-LBPRGKRZSA-N 314.772 4.621 30 20 DJED CCCC(C)(C)NCc1cccc(OCc2ccccc2C#N)c1 1177683775 UUHUCLHITVDBBE-UHFFFAOYSA-N 322.452 4.806 30 20 DJED CCC[C@@H]1CCCC[C@@H]1CNC(=O)CC1(C#N)CCCCC1 1275984709 XQZAZPWNGIXNGZ-IAGOWNOFSA-N 304.478 4.573 30 20 DJED CC(C)N(Cc1ccc(Cl)cc1C#N)c1cccc(F)c1 1307944183 OUNLMUFEEVREDM-UHFFFAOYSA-N 302.780 4.766 30 20 DJED Cc1nc(CSCc2ccccc2C(C)(C)C#N)c(C)s1 1320121303 FGLNSRTYHCSXAE-UHFFFAOYSA-N 316.495 4.995 30 20 DJED CCn1nc(/C=C/C(=O)c2ccccc2SC)c2ccccc21 1321668699 QSBYRMFUXZARCL-OUKQBFOZSA-N 322.433 4.674 30 20 DJED C=CCCO[C@H](C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 1322468312 MNMVRVMXGBRRGD-NWDGAFQWSA-N 318.442 4.577 30 20 DJED CC[C@@H](Nc1ccc(OCC#N)cc1)c1cccc(Cl)c1O 1322765682 ILCMMRPVJVIBKD-MRXNPFEDSA-N 316.788 4.511 30 20 DJED CC(C)C[C@@H](C)CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1349230236 DHCRFSVRWTYMQS-QWHCGFSZSA-N 318.486 4.755 30 20 DJED CC1(CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 1353489635 HJUIIGVZINOUFL-IBGZPJMESA-N 318.420 4.861 30 20 DJED CC(C)(C)c1cccc(C(=O)N[C@H](CCC#N)c2ccccc2)c1 1435621523 JOVAZTJPGGHBCU-LJQANCHMSA-N 320.436 4.759 30 20 DJED Cc1nc(NCCc2ccc(C(C)C)cc2)c(Cl)cc1C#N 1458042437 CWEKDTMSZURBMX-UHFFFAOYSA-N 313.832 4.693 30 20 DJED CCCc1occc1C(=O)Nc1scc(C(C)(C)C)c1C#N 1460570808 NSVBWOAWZVSTBD-UHFFFAOYSA-N 316.426 4.715 30 20 DJED CCC1CCC(CNC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1465062549 XVIUCTYMLCPPMK-UHFFFAOYSA-N 319.836 4.550 30 20 DJED Cc1cc(NCC2(c3ccccc3)CCCCC2)ncc1C#N 1472648672 JALYZIVSOHYDHK-UHFFFAOYSA-N 305.425 4.576 30 20 DJED CC(C)(C)[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1Cl 1473278555 IVYLNKNBLBZFGW-DOTOQJQBSA-N 304.865 4.906 30 20 DJED Cc1csc(NC(=O)N[C@@H]2CCCCC23CCCC3)c1C#N 1476558592 DDZXKFYDEPKISR-CQSZACIVSA-N 317.458 4.553 30 20 DJED Cc1cc(C)c(C#N)c(SCc2ccc(F)c(Cl)c2)n1 1559318192 FWFPUIOUJFARCW-UHFFFAOYSA-N 306.793 4.655 30 20 DJED N#Cc1ccc(CN2CCC[C@H]2CCC2CCCCC2)s1 1559652584 OXBUKKSRTHNCLN-INIZCTEOSA-N 302.487 4.945 30 20 DJED C[C@H]1CCC[C@H]1NCCC(C#N)(c1ccccc1)c1ccccc1 1559749205 JCXNJUKZWRYTEH-GHTZIAJQSA-N 318.464 4.665 30 20 DJED Cc1cc(CN(Cc2ccccc2)[C@H](C)C2CC2)ccc1C#N 1560718470 UQGJXRAFCPPWGW-QGZVFWFLSA-N 304.437 4.667 30 20 DJED C[C@@H]1CCCC[C@H]1NC(=O)Nc1scc(C(C)(C)C)c1C#N 1562851467 YGNLKGOKASZNJQ-BXUZGUMPSA-N 319.474 4.617 30 20 DJED C[C@H](c1cccc(F)c1)N1CCC(c2ccc(C#N)cc2)CC1 1620623109 LQMMRTATFNIDBV-OAHLLOKOSA-N 308.400 4.638 30 20 DJED CC[C@H](Nc1ccc(Cl)c(C#N)n1)c1cccc(Cl)c1 1639551098 BUGINSVWKHJUAX-ZDUSSCGKSA-N 306.196 4.823 30 20 DJED CC(C)c1ccc(C[C@H]2CCN(c3cccc(F)c3C#N)C2)cc1 1639745601 MPYWNEUEIVZESW-QGZVFWFLSA-N 322.427 4.890 30 20 DJED N#Cc1ccc(CSc2ccc(F)cc2)c(OC(F)F)c1 1640574873 YGVFWFDOVMKQQB-UHFFFAOYSA-N 309.312 4.591 30 20 DJED CCCN(Cc1ccc(C#N)cc1)[C@H](C)CCc1ccccc1 1641515345 GDICOWJKXZKZNE-GOSISDBHSA-N 306.453 4.792 30 20 DJED Cc1nc(C(C)C)ccc1COc1cc(Cl)cc(C#N)c1 1643968160 XHIKIEAZGWWZHS-UHFFFAOYSA-N 300.789 4.618 30 20 DJED CC[C@@H]1CCC[C@@H]1Nc1cc(C)c(C#N)c2nc3ccccc3n12 1650870960 TXGUXHDOQABSKN-ZBFHGGJFSA-N 318.424 4.658 30 20 DJED N#Cc1ccc(CN(Cc2ccccc2Cl)CC2CC2)s1 1654425221 OMUIRYSAVIZRPE-UHFFFAOYSA-N 316.857 4.685 30 20 DJED COc1ccc(C(C)(C)C)cc1Nc1ccc(Cl)c(C#N)n1 1654898958 OCLOMYJHXRSYIG-UHFFFAOYSA-N 315.804 4.656 30 20 DJED CC(C)(C)[C@H]1CCCC[C@@H]1CNc1ccc(Cl)c(C#N)n1 1655066116 NWFUVPMHUGRJGH-OLZOCXBDSA-N 305.853 4.871 30 20 DJED Cc1cc(C#N)ccc1CN(Cc1cccc(F)c1)C1CCCC1 1657729739 YCYHUJGGLHYAKV-UHFFFAOYSA-N 322.427 4.951 30 20 DJED CCc1ccc(CN(Cc2ccc(CC#N)cc2)CC(C)C)cc1 1659125563 UKGIZYKJDJQJMJ-UHFFFAOYSA-N 320.480 4.973 30 20 DJED Cc1ccc(C2(CNCc3cccc(F)c3C#N)CCC2)cc1C 1659636138 PIXQHOFXMQZUME-UHFFFAOYSA-N 322.427 4.526 30 20 DJED N#Cc1ccc(CN[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 1662656834 BKJBNUYDQTURAV-MJGOQNOKSA-N 310.828 4.638 30 20 DJED CC(C)c1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 25438152 CCJWXFZOOLOZDU-UHFFFAOYSA-N 306.409 4.863 30 20 DJED C=C(C)CN(CC)C(=O)c1occc1CSc1ccccc1 73419010 YRRSHRYGUBZZNJ-UHFFFAOYSA-N 315.438 4.610 30 20 DJED CCc1cc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)sc1C 80449354 NZJOQSFJIJKYMD-LBPRGKRZSA-N 318.467 4.689 30 20 DJED N#Cc1cc(F)ccc1CNC(c1ccccc1)c1ccccc1 103138615 FTMVXDHHJYINBW-UHFFFAOYSA-N 316.379 4.577 30 20 DJED C=CC1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC1 110365365 INBVNWDIKMZMNZ-ZIAGYGMSSA-N 324.251 4.522 30 20 DJED C[C@@H](NCc1cccc(OCC#N)c1)c1ccc2ccccc2c1 113308740 JQXLQONIZQIQIP-MRXNPFEDSA-N 316.404 4.593 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCc1ccc(F)c(F)c1 117869558 NMTSESIJINVSAP-LBPRGKRZSA-N 318.392 4.971 30 20 DJED C[C@H](NCc1ccc(F)c(C(F)(F)F)c1)c1ccc(C#N)cc1 162543068 BHTPZZODFYSNMX-NSHDSACASA-N 322.305 4.567 30 20 DJED C[C@H](NCCCCC#N)c1cccc(OCc2ccccc2)c1 178640408 SKNHBPFVQZQCJH-KRWDZBQOSA-N 308.425 4.610 30 20 DJED CC(C)(C)c1ncc(/C=C/C(=O)c2cccc(F)c2F)s1 182724018 ZHXLRBKQNPCYQX-BQYQJAHWSA-N 307.365 4.615 30 20 DJED CC(=O)Nc1ccc(/C=C\C(=O)c2oc3ccccc3c2C)cc1 205511947 FJVQZHMRNJOSDH-XFXZXTDPSA-N 319.360 4.596 30 20 DJED N#Cc1ccc(CNc2ccc(Br)c(Cl)c2)cc1 227596228 XLFOCWBWBOOTNM-UHFFFAOYSA-N 321.605 4.586 30 20 DJED C[C@H]1CCC[C@@H](C(O)=Nc2csc(-c3ccncc3)n2)C1 329810727 MNSWFIQENDQJRX-WCQYABFASA-N 301.415 4.619 30 20 DJED N#Cc1ccc(CN[C@H](CC2CCC2)c2ccccc2)c(F)c1 344124317 XTUIXCGXCUBBQZ-HXUWFJFHSA-N 308.400 4.718 30 20 DJED N#CC1(CCCN2CCC[C@H]2CCC2CCCC2)CCOCC1 410412466 BVCMQTRSRWNXHL-IBGZPJMESA-N 318.505 4.522 30 20 DJED CC(C)(C)C[C@H]1CCN(CCCC2(C#N)CCOCC2)C1(C)C 412030766 FESBVMHKLSHQJG-QGZVFWFLSA-N 320.521 4.624 30 20 DJED N#Cc1ccc(CN[C@H]2CCSc3c(Cl)cccc32)s1 421872869 HANOGDRQWYEBMY-AWEZNQCLSA-N 320.870 4.600 30 20 DJED C=C(C)C(C)(C)C(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 424793299 SCJDHFXBBHZESA-OAHLLOKOSA-N 303.421 4.524 30 20 DJED N#Cc1ccc(F)cc1CSc1nc(-c2ccccc2)co1 436256195 ZAJNADXOQTUEOJ-UHFFFAOYSA-N 310.353 4.645 30 20 DJED N#Cc1ccc(CSc2ncnc3ccsc23)c(Cl)c1 438886105 LNCDZJPHXFTKKC-UHFFFAOYSA-N 317.826 4.509 30 20 DJED C=C[C@H](C)NC(=O)Nc1ccc(O[C@@H](C)c2ccccc2)cc1C 465249542 ABDZRGBUEWXZTI-HOTGVXAUSA-N 324.424 4.831 30 20 DJED C=CC[C@H](CC)NC(=O)N1CCC[C@H]1c1ccccc1Cl 466367654 XTDOASSVOJLNAK-BBRMVZONSA-N 306.837 4.541 30 20 DJED CC(C)(C)CC(C)(C)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 467190449 GTFNYQSOCKIPGK-UHFFFAOYSA-N 315.461 4.824 30 20 DJED C=CC1CCN(C(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)CC1 471909772 JFNQUJOJZMKWPM-LLVKDONJSA-N 312.240 4.522 30 20 DJED C=CCS[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 531902916 OCDQKRWGUMVREW-VIFPVBQESA-N 314.332 4.736 30 20 DJED C=C[C@@H](CC(=O)N(C)C[C@@H](C)c1ccccc1)c1ccccc1 536114190 OATXAHOWUHDLFA-MSOLQXFVSA-N 307.437 4.608 30 20 DJED C[C@@H](c1cc2ccccc2o1)N(C)Cc1ccc(CC#N)cc1 542211545 CVVHQLAUNCUNAA-HNNXBMFYSA-N 304.393 4.692 30 20 DJED N#Cc1cc(C(=O)N2CCCC[C@H]2c2ccccc2)ccc1Cl 547383425 LEHPBKCSTLQLQB-SFHVURJKSA-N 324.811 4.579 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)Cc1ccsc1 565272176 MNJVGWOYBBRFIF-INIZCTEOSA-N 317.502 4.535 30 20 DJED CCCN(C(=O)c1cscc1C)c1cc(Cl)ccc1C#N 598808613 FZDKPHDECRPEMY-UHFFFAOYSA-N 318.829 4.638 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 603519076 QCVXJASASSLTFT-RTBURBONSA-N 324.468 4.535 30 20 DJED C=CCCOCC(=O)N[C@@H](CC(C)(C)C)c1ccc(Cl)cc1 607518521 QREYJPKEAZRRDL-INIZCTEOSA-N 323.864 4.526 30 20 DJED N#Cc1csc(CNc2ccc(F)cc2OC2CCCC2)c1 611168119 INJZHCFAFFZTJR-UHFFFAOYSA-N 316.401 4.692 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc(Cl)c1Cl 618741006 BPJIYWFNNCCYGS-INIZCTEOSA-N 317.219 4.642 30 20 DJED C=C(C)CN(CC)C(=O)[C@H](C)Sc1ccc2ccccc2c1 664717667 RIRGZLNIKJKDPP-HNNXBMFYSA-N 313.466 4.745 30 20 DJED Cc1ccsc1C(=O)/C=C\c1nc2ccc(F)cc2s1 761475087 CFNVOASRVDSEND-PLNGDYQASA-N 303.383 4.701 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C/c1nc3ccc(F)cc3s1)C2 761478690 VJIRDCHLEWSLEY-XYOKQWHBSA-N 309.365 4.566 30 20 DJED CSc1ccc(C(C)=NNc2cccc(C#N)c2)c(Cl)c1 763355077 XXIIFOVBJXMUOG-UHFFFAOYSA-N 315.829 4.770 30 20 DJED CCC[C@H](C=NNc1nncc2ccccc12)c1ccccc1 769566575 FIEYTFKPDVJEKQ-MRXNPFEDSA-N 304.397 4.611 30 20 DJED C#CC[C@H](N[C@@H](C)c1cc(Cl)ccc1OC)c1ccccc1 773117883 YAUZPIYRXZMPLC-KSSFIOAISA-N 313.828 4.764 30 20 DJED CC[C@@H](C#N)Oc1cccc(CNCC[C@H](C)c2ccccc2)c1 775027869 LVLIBCMLXSSUDS-PXNSSMCTSA-N 322.452 4.651 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 785518749 TYSMYHIJBUQCBZ-CTNGQTDRSA-N 318.420 4.883 30 20 DJED Cc1cc(C(F)(F)F)ccc1CNc1cccc(OCC#N)c1 785979406 OBOASRJZRZSHKB-UHFFFAOYSA-N 320.314 4.528 30 20 DJED Cc1c(C(=O)/C=C\c2ccc(Cl)cc2F)cnn1C(C)(C)C 787186823 NVBKRZQIJKHYPI-VURMDHGXSA-N 320.795 4.635 30 20 DJED Cc1c(C(=O)/C=C/c2cc3cc(F)ccc3o2)cnn1C(C)C 787187076 MWDLCMLEDLPVSP-AATRIKPKSA-N 312.344 4.554 30 20 DJED C=CCC1(C(=O)OCc2nc(-c3ccccc3)cs2)CCC1 791786106 SBDYEPMHVBSMLV-UHFFFAOYSA-N 313.422 4.600 30 20 DJED CC(C)n1nccc1/C=C\C(=O)c1cccc(Cl)c1Cl 794943352 XWMXEITVVQAMHS-SREVYHEPSA-N 309.196 4.667 30 20 DJED CC(=C/c1ccccc1OC(F)F)/C=C/C(=O)c1ccncc1 811685173 KWWSJZMIERCPFB-BWLOLTEUSA-N 315.319 4.525 30 20 DJED Nc1ccc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)cn1 821028370 SEZVCEFIUXTVFZ-WUXMJOGZSA-N 306.409 4.608 30 20 DJED Cc1ccccc1[C@H](C)CC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842942100 NBIJTWSMGBZOGS-CJNGLKHVSA-N 324.449 4.699 30 20 DJED CC[C@H](C#N)C(=O)N[C@H](c1ccccc1C)[C@@H]1CCC[C@@H](C)C1 1145003854 IXISSSSBZJRJON-MYZZLAAOSA-N 312.457 4.528 30 20 DJED CSc1ccc(CSc2nc(C#N)c(Cl)s2)cc1 1186344196 QDKKAQKBVLNWMR-UHFFFAOYSA-N 312.872 4.682 30 20 DJED N#Cc1cccc(NC(=O)N[C@@H](CC2CCC2)c2ccccc2)c1 1202798705 MCSDSZZMOOACBQ-IBGZPJMESA-N 319.408 4.611 30 20 DJED Cc1ccc(CN(Cc2ccc(OCC#N)cc2)C(C)(C)C)cc1 1307951370 FQJYJABAPKKADD-UHFFFAOYSA-N 322.452 4.698 30 20 DJED CC(C)(CC#N)CN[C@@H]1CC=C(c2ccc(Cl)cc2)CC1 1308812350 UFXHXIHBTKZSCA-QGZVFWFLSA-N 302.849 4.805 30 20 DJED CC1(C)CC[C@@H](C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 1436357526 ZTLALZWNHLHFIF-CYBMUJFWSA-N 314.429 4.500 30 20 DJED C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)c1cccc(F)c1C#N 1458233186 BYTSMSALHPASLK-OLZOCXBDSA-N 316.807 4.979 30 20 DJED N#Cc1cccc(C#N)c1N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 1458434274 XWIQSEHMNWAQAI-KSSFIOAISA-N 321.811 4.832 30 20 DJED Cc1ccc(C)c2c(C)c(C(=O)Nc3cccc(CC#N)c3)oc12 1460143952 PXELCJVLWRENQP-UHFFFAOYSA-N 318.376 4.676 30 20 DJED Cc1ccccc1[C@@H](C)C(=O)N(CC(C)C)c1ccc(C#N)cc1 1532927867 IXBQOIZHKIGZQW-QGZVFWFLSA-N 320.436 4.659 30 20 DJED CCc1c(C)sc(NC(=O)c2cccc3c2CCCC3)c1C#N 1536890086 SHXBDPWZGKWKEE-UHFFFAOYSA-N 324.449 4.622 30 20 DJED Cc1nnc(N[C@H]2CCCc3ccc(C(C)C)cc32)c(C#N)c1C 1559157681 SJGDXIDKQZWWLC-IBGZPJMESA-N 320.440 4.578 30 20 DJED CC(C)[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc(C#N)cc1F 1656058847 GOQRJSDMRSUQPH-GHTZIAJQSA-N 322.427 4.747 30 20 DJED CC[C@@H](C#N)Sc1nc2ccccc2n1-c1ccc(F)cc1 1656246729 QZDHEFWEYNTNKE-AWEZNQCLSA-N 311.385 4.559 30 20 DJED CC1(C)CCC[C@@H](CNC(=O)Nc2ccc(C#N)cc2Cl)C1 1669349780 AYGQNTPPTNUZFZ-CYBMUJFWSA-N 319.836 4.550 30 20 DJED CC(=NNc1ccc(C(=O)O)c(F)c1)c1cccc2ccccc12 1776073500 YHJYXZNJFXCZHT-UHFFFAOYSA-N 322.339 4.513 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1oc2ccc(Cl)cc2c1C 63961279 KZXIHRMVTCLSMF-UHFFFAOYSA-N 324.767 4.827 30 20 DJED CCCCCCCC(=O)N[C@@H]1CCOc2c(Cl)cccc21 105409932 BQEYQPURVJGYGK-OAHLLOKOSA-N 309.837 4.640 30 20 DJED C=CCCCSCC(=O)c1cc(C)n(CC(F)(F)F)c1C 117944851 MDKCXDXAXOPQPX-UHFFFAOYSA-N 319.392 4.549 30 20 DJED C[C@@H](C(=O)Nc1cc(C(C)(C)C)sc1C#N)c1ccccc1 121566494 MIGLBIYKBSPLAJ-GFCCVEGCSA-N 312.438 4.659 30 20 DJED N#Cc1cccc(CNCc2ccc(-c3ccccc3)s2)c1 127321918 UZGUVGBREKPGBL-UHFFFAOYSA-N 304.418 4.577 30 20 DJED Cc1cc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)ccc1Cl 152473197 SXTCZTSKJJDLRT-LBPRGKRZSA-N 318.829 4.718 30 20 DJED N#CCCCOc1cccc(/C=C2/CCc3ccccc3C2=O)c1 171148305 HZCACZOPPPURKK-JXAWBTAJSA-N 317.388 4.582 30 20 DJED C[C@@H](Nc1cccc(COCC2CC2)c1)c1cccc(C#N)c1 180294553 XSPFONZQTCXISJ-OAHLLOKOSA-N 306.409 4.658 30 20 DJED CCCOc1ccc(CN[C@H](C)c2cccc(C#N)c2)c(C)c1 191029143 ZCRZAGCWUHSSTF-MRXNPFEDSA-N 308.425 4.506 30 20 DJED N#Cc1ccc(CNCc2ccc(OC3CCCCC3)cc2)cc1 237843073 BRYFGCSQCKTSIU-UHFFFAOYSA-N 320.436 4.560 30 20 DJED Cc1cc(C(=O)/C=C\c2ccc(O[C@@H](C)C#N)cc2)c(C)s1 254980164 LNTWZLLOEOEFCI-PWWFUAJNSA-N 311.406 4.552 30 20 DJED N#CCc1cccc(NCc2ccc(-c3ccc(F)cc3)o2)c1 313484738 VXNXJWDFJMYSNZ-UHFFFAOYSA-N 306.340 4.764 30 20 DJED C[C@@H](CC1CCCCC1)/C(O)=N/Cc1nnc(C(C)(C)C)s1 329811931 CBURCMYNNPLLCX-LBPRGKRZSA-N 323.506 4.899 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCc2ccc(F)cc21 341799808 COTFSKSYMONWFE-LEWJYISDSA-N 320.411 4.742 30 20 DJED CC(C)C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccn1 341878899 SQALGTHIZVRNHM-PZJWPPBQSA-N 319.452 4.708 30 20 DJED Cc1oc2ccccc2c1CN[C@H]1CCCc2cc(C#N)ccc21 344138755 TYBWGPAQVNNJIX-FQEVSTJZSA-N 316.404 4.780 30 20 DJED COc1cc(CN[C@H](CC2CCC2)c2ccccc2)ccc1C#N 353623222 OIJJEKNXYAFWMG-HXUWFJFHSA-N 320.436 4.588 30 20 DJED N#C[C@H]1CC[C@@H](N[C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 424324956 KMJXJAZUQRHSOT-OWRWGESLSA-N 309.240 4.726 30 20 DJED C[C@H](NCc1ccc(C#N)cc1Cl)c1c(F)cccc1Cl 439440815 QQAKZAYZTAOZAG-JTQLQIEISA-N 323.198 4.855 30 20 DJED CC(C)CN(C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCC1 444496689 KPVYTETVOKDWRL-UHFFFAOYSA-N 319.836 4.644 30 20 DJED C[C@H](CCC1CCCCC1)NC(=O)[C@H](C)c1cccc(C#N)c1 462073748 LYRYDGOJDBYYGM-HZPDHXFCSA-N 312.457 4.527 30 20 DJED C[C@H](Cc1ccc(Cl)cc1Cl)N[C@@H]1CCC[C@H](C#N)C1 463288133 LTQGTXQRZBULSQ-TYNCELHUSA-N 311.256 4.596 30 20 DJED C=CC[C@H](CC)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 467409885 BHBFTCWYMCNCCY-JSGCOSHPSA-N 301.352 4.633 30 20 DJED CC1(CC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CCCCC1 503906308 BAHSDIDHJFTPOF-UHFFFAOYSA-N 322.452 4.534 30 20 DJED N#CCCN(Cc1ccco1)Cc1cc(Cl)ccc1Cl 505770591 HCSYMUVIKFZIJE-UHFFFAOYSA-N 309.196 4.502 30 20 DJED C=CC[C@@H](C)NC(=O)c1sc2cc(Cl)ccc2c1Cl 524195032 PBNVGXCZGHWQIU-MRVPVSSYSA-N 314.237 4.903 30 20 DJED CCCc1nc(CSCc2cccc(C#N)c2F)cs1 537047195 SHZUPJBOEUNBPW-UHFFFAOYSA-N 306.431 4.540 30 20 DJED N#Cc1csc(CN2CCCC[C@@H]2c2ccc(F)cc2F)c1 539895325 QJKBLLAFBNSECF-QGZVFWFLSA-N 318.392 4.625 30 20 DJED C=CCC[C@H](NCCc1c[nH]c2cc(F)ccc12)c1ccco1 552047483 NXAXIEBHZRYGIE-KRWDZBQOSA-N 312.388 4.740 30 20 DJED C[C@@H](CNC1(c2cccc(C#N)c2)CC1)c1cccc(Cl)c1 556410855 SQOCEABVOTZXSI-AWEZNQCLSA-N 310.828 4.594 30 20 DJED C=CCC(C)(C)c1noc([C@@H](C)c2cn(C)c3ccccc23)n1 560008694 XXQFBPACDSYVBQ-ZDUSSCGKSA-N 309.413 4.567 30 20 DJED C=CCOc1cccc(NC(=O)N(C)C[C@@H](C)c2ccccc2)c1 589726175 ARQGYNTXWXVYLK-MRXNPFEDSA-N 324.424 4.519 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCCc1ccc(C#N)cc1 594704406 BVMUGMDDVQBLBF-OAHLLOKOSA-N 321.449 4.607 30 20 DJED C[C@H](Nc1cccc(C(=O)OC(C)(C)C)c1)c1cccc(C#N)c1 600857382 MBYLAZOCEIZIJI-AWEZNQCLSA-N 322.408 4.687 30 20 DJED Cc1ccc2[nH]c3c(c2c1)CN(c1cc(Cl)ccc1C#N)CC3 609891638 RSLLWMVIQHRIJZ-UHFFFAOYSA-N 321.811 4.564 30 20 DJED CC(C)(C)c1ccc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)cc1 647370965 GYOXNXPWOOGDSA-OAHLLOKOSA-N 324.449 4.808 30 20 DJED COc1cc(/C=C\C(=O)c2sccc2C)ccc1OC(F)F 733749027 ATVLDVWQXMCKCD-HYXAFXHYSA-N 324.348 4.563 30 20 DJED C[C@@H](/N=C/c1cccc(O)c1O)c1cccc(Cl)c1Cl 735415631 YBCQFHDMVMDLIA-SEYNJHBTSA-N 310.180 4.585 30 20 DJED CCCCCCCCC(=O)N1C[C@H](C)OC[C@H]1c1ccccc1 742972210 UREHUFRJGYDORZ-HKUYNNGSSA-N 317.473 4.726 30 20 DJED COc1ccc(C)cc1C(=O)/C=C\c1cc2cccc(OC)c2o1 747167916 JONDDNOHLWIUDG-HJWRWDBZSA-N 322.360 4.655 30 20 DJED O=C1/C(=C/c2cccc(-c3ccccn3)c2)Cc2c(F)cccc21 747694208 VDFIFFGZEKIQJU-FOWTUZBSSA-N 315.347 4.710 30 20 DJED C[C@@H](Nc1ccc(OC2CCC2)c(F)c1)c1ccc(C#N)cc1 748267017 LWBGVMNHKNWQEW-CYBMUJFWSA-N 310.372 4.802 30 20 DJED CC(=NOCc1ccccc1)[C@@H](C)c1nc2ccccc2s1 748780747 NEHGTUTZYBEDKW-CYBMUJFWSA-N 310.422 4.993 30 20 DJED C=CCC[C@@H](NC(=O)C=C(C)C)c1ccc(C(F)(F)F)cc1 749943794 OXUMCBNGFQTJIP-OAHLLOKOSA-N 311.347 4.795 30 20 DJED Cc1cccc2nc([C@@H](C#N)C(=O)CC3CCC(C)(C)CC3)[nH]c12 752506377 XJYMSSOXACKEPM-HNNXBMFYSA-N 323.440 4.654 30 20 DJED N#C[C@H]1CCC[C@@H](Nc2ccc(N3CCCCC3)c(Cl)c2)C1 765919469 CGCWRWCWNIWHTI-LSDHHAIUSA-N 317.864 4.825 30 20 DJED C[C@H](C#N)Oc1ccccc1N[C@@H]1CCCCc2ccccc21 779713789 ZJXGLEHQPKVZFJ-CRAIPNDOSA-N 306.409 4.857 30 20 DJED CC[C@H](CC#N)OC(=O)c1ccc(-c2ccc(C)cc2)cc1F 787086095 IJZBZHJUIINJQG-MRXNPFEDSA-N 311.356 4.650 30 20 DJED C[C@@H]1CCCC[C@H]1CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797570559 HQNNWAPWYSHUNB-HZSPNIEDSA-N 318.486 4.833 30 20 DJED C=CC[C@H](N[C@H](C)c1nccc2ccccc12)c1ccncc1 810218148 GMIJGSIOBKZIOU-BEFAXECRSA-N 303.409 4.598 30 20 DJED CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1c[nH]nc1C 814685339 KJJVDORQEWMYSB-UHFFFAOYSA-N 317.607 4.514 30 20 DJED C#C[C@H](NC(=O)Nc1c(C)cccc1C(C)C)c1ccccc1 831062576 MZHCMQZYFYQTFV-SFHVURJKSA-N 306.409 4.614 30 20 DJED N#C[C@H](CCc1ccccc1)c1nc(C2CCCCCC2)no1 904688300 STXHXAQWUFRJIM-KRWDZBQOSA-N 309.413 4.747 30 20 DJED FC(F)(F)c1cccnc1NN=C1CC[C@H]2CCCC[C@H]2C1 915050516 TWBSTAVRVOZVDF-NEPJUHHUSA-N 311.351 4.859 30 20 DJED O=C(/C=C\c1ccc(F)c(F)c1)c1cccc(C(F)(F)F)c1 916137485 YRUSTNDQCXSMHL-ALCCZGGFSA-N 312.237 4.880 30 20 DJED CCCCCCCC(=O)Nc1ccc(-c2csnn2)cc1 919987726 PYUSHDXCRYGIMS-UHFFFAOYSA-N 303.431 4.504 30 20 DJED COc1ccc(/C=C2\Cc3c(F)cccc3C2=O)c2ccccc12 921263388 CMOLGBWFMIFLGK-SDNWHVSQSA-N 318.347 4.810 30 20 DJED Cc1ccc(C(=O)N2C[C@H](C(C)(C)C)c3ccccc32)cc1C#N 1128474753 SSZFUCASSUGNJC-SFHVURJKSA-N 318.420 4.657 30 20 DJED CCOc1ccccc1[C@@H](CC(C)C)Nc1cc(C)c(C#N)cn1 1162711731 JWYLTTTVTMCTNS-GOSISDBHSA-N 323.440 4.860 30 20 DJED Cc1cccc(C)c1[C@H]1CCCN1c1nc(C#N)c(Cl)s1 1163705259 NUPHZIFYFWJMPK-CYBMUJFWSA-N 317.845 4.627 30 20 DJED Cc1ccc(CN(CCC(C)(C)C#N)c2ccc(F)cc2)o1 1167735233 VZJXIPBPJMKTIS-UHFFFAOYSA-N 300.377 4.674 30 20 DJED C[C@H](CCNc1ccnc(C#N)c1)c1cccc(C(F)(F)F)c1 1185630303 LLBUHFMCFNTPHC-GFCCVEGCSA-N 319.330 4.578 30 20 DJED CCOc1cccc(Cl)c1COc1ccc(C#N)c(Cl)c1 1189166440 NXAVMXFDAMMBGI-UHFFFAOYSA-N 322.191 4.843 30 20 DJED Cc1ccc(-c2nc(CNc3cc(C#N)ccc3C)cs2)cc1 1202716012 SBGMCIYPSLPLDU-UHFFFAOYSA-N 319.433 4.911 30 20 DJED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)c1 1219113331 OKFJSTRRCJGFIV-DLBZAZTESA-N 313.445 4.593 30 20 DJED Cc1c(C#N)cccc1NC(=O)N[C@H](C)CCC1CCCCC1 1310418422 LSDVXWSLCXQJPQ-CQSZACIVSA-N 313.445 4.737 30 20 DJED N#CC1(CCCS[C@@H]2CCc3c(F)cccc32)CCOCC1 1321308525 BTLAIBYDOWFADM-QGZVFWFLSA-N 319.445 4.647 30 20 DJED N#Cc1cccc(-c2nnc(-c3occc3-c3ccccc3)o2)c1 1328429504 OELOMZVRZYLOGV-UHFFFAOYSA-N 313.316 4.535 30 20 DJED CC[C@@H](CC(=O)Nc1cc(C)cc(C#N)c1)c1ccc(C)cc1 1436713240 DRSRJSPWRNFXGO-KRWDZBQOSA-N 306.409 4.698 30 20 DJED COc1ccc([C@@H](C)SCc2ccc(C#N)cc2OC)cc1 1458920967 KTILNKJWLSCCRH-CYBMUJFWSA-N 313.422 4.570 30 20 DJED CC(C)c1ccc(C(=O)Nc2ccc(C#N)c(F)c2)cc1Cl 1460672333 FUTNFJBNFWJECN-UHFFFAOYSA-N 316.763 4.726 30 20 DJED Cc1ccc(C#N)cc1C(=O)N[C@@H](C)c1cc2ccccc2s1 1523194654 UXDXIRUTNREUBQ-ZDUSSCGKSA-N 320.417 4.572 30 20 DJED N#Cc1cccc(C(=O)NCC2(C3CCCCC3)CCCCC2)c1 1527544910 QNJVHSSPZCACQX-UHFFFAOYSA-N 324.468 4.819 30 20 DJED C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 1528199787 RWVCVLMPUKLFAN-HUUCEWRRSA-N 320.392 4.725 30 20 DJED C[C@H]1CCCC[C@H]1CC(=O)N(c1cccc(C#N)c1)C1CCC1 1532438184 CDOJZEFOFGOEEO-RDJZCZTQSA-N 310.441 4.660 30 20 DJED CCC(CC)CN(CCC#N)C(=O)CC[C@@H](C)c1ccccc1 1543034588 JAAQNWBGWKYCCU-QGZVFWFLSA-N 314.473 4.749 30 20 DJED N#CCc1cccc(NC(=O)C2=C(c3ccccc3)CCCC2)c1 1543579908 XGPWTUPNRKJCQR-UHFFFAOYSA-N 316.404 4.719 30 20 DJED CCCC[C@@H](CC)CC(=O)Nc1cc(C#N)ccc1NCC 1545760017 OOYMDLLWDQFMGX-CQSZACIVSA-N 301.434 4.535 30 20 DJED CC[C@H](NCCC1(C#N)CCCCC1)c1ccc(F)cc1F 1559693158 AEKLLIALYNKEBB-KRWDZBQOSA-N 306.400 4.870 30 20 DJED CCCN(CCc1cccs1)CCC1(C#N)CCCCC1 1559729875 OFZRDDAVVDNHLU-UHFFFAOYSA-N 304.503 4.867 30 20 DJED N#C[C@@H]1CCC[C@H](Nc2cccc(OCCc3ccccc3)c2)C1 1560787899 FMWWDIUCFXXIAA-MOPGFXCFSA-N 320.436 4.802 30 20 DJED Cc1c(C#N)cccc1NC(=O)N[C@H]1CCC[C@H]1CCC(C)C 1562483526 ATGGQMYCFILKMS-YJBOKZPZSA-N 313.445 4.593 30 20 DJED CC1(C)CCC(CC(=O)Nc2cc(C#N)c3ccccc3n2)CC1 1586982349 RIPKGCZKXUXRMZ-UHFFFAOYSA-N 321.424 4.651 30 20 DJED N#Cc1cccc(Br)c1NCc1ccc(Cl)cc1 1639216618 AOOOUDQEXZQOOJ-UHFFFAOYSA-N 321.605 4.586 30 20 DJED CC(C)CN(CCC#N)Cc1c(OC(C)C)ccc2ccccc12 1641833266 IMBUFQVDWHNQNM-UHFFFAOYSA-N 324.468 4.999 30 20 DJED CC[C@H](Cc1ccc(C)cc1)N(CC)Cc1cccc(C#N)c1F 1641865551 HSLLVNSDNJFWBU-HXUWFJFHSA-N 324.443 4.849 30 20 DJED N#Cc1cccc(C#N)c1NCC1(c2ccc(Cl)cc2)CCC1 1642202442 HLEOFMIFJIIPRS-UHFFFAOYSA-N 321.811 4.617 30 20 DJED CCc1cccc(CN(Cc2ccc(C#N)cc2)CC(C)C)c1 1653242841 QVUKWSLUXYKJFA-UHFFFAOYSA-N 306.453 4.779 30 20 DJED CC(=NNc1ccccc1C(=O)O)c1ccc(Cl)c(Cl)c1 1776029912 LHPHIZVREARHCU-UHFFFAOYSA-N 323.179 4.528 30 20 DJED C=C(C)COc1cc(CN[C@@H](C)c2ccccc2)ccc1OC 57959007 VFUFWRWXKVEWRB-INIZCTEOSA-N 311.425 4.501 30 20 DJED CCCCOc1ccc(/C=C/C(=O)c2cccc(C#N)c2)cc1 59270283 QAWZVUCXPRSGMU-FMIVXFBMSA-N 305.377 4.633 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)c2coc3ccccc23)n1 80460294 QFHFFAOXCXEMAN-GFCCVEGCSA-N 310.378 4.503 30 20 DJED N#Cc1ccc(C(=O)CSc2ccc(Cl)c(Cl)c2)cc1 88310493 UKLSBKKTMJLTLN-UHFFFAOYSA-N 322.216 4.840 30 20 DJED C[C@@H]1CCC[C@@H](Sc2nc(C(F)(F)F)ccc2C#N)C1 94336976 IHIHDZIPROBYHG-MWLCHTKSSA-N 300.349 4.643 30 20 DJED Cc1ccc(N[C@H](C)c2cccc(C#N)c2)cc1Br 104058167 NRAVWQIHVXHTOG-GFCCVEGCSA-N 315.214 4.802 30 20 DJED N#CCOc1cccc(NCc2cc(Cl)ccc2Cl)c1 230578120 LCEHVOFJYMFJNH-UHFFFAOYSA-N 307.180 4.508 30 20 DJED O=C(/C=C\c1ccccc1OCc1cccnc1)c1ccsc1 255326376 BIOWEGCOVLVLQV-FPLPWBNLSA-N 321.401 4.618 30 20 DJED CSc1ccc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 272304349 RYYWFTDYNJZKSB-CQSZACIVSA-N 308.450 4.620 30 20 DJED CCc1cccc2c(C3CCN([C@H]4CC[C@H](C#N)C4)CC3)c[nH]c12 293384191 GLYHHBZSQUOZLT-YJBOKZPZSA-N 321.468 4.602 30 20 DJED C[C@H]1C[C@H]1c1ccc(CN(Cc2ccc(F)cc2C#N)C2CC2)o1 303234423 ZRJMLRCYDQMJQD-ORAYPTAESA-N 324.399 4.578 30 20 DJED C=CCCC(=O)N(CC)[C@@H](c1ccccc1)c1ccc(F)cc1 303353870 YXPATANNGHGOIO-FQEVSTJZSA-N 311.400 4.730 30 20 DJED OC1=NCc2cccc(N=C(O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)c21 329024489 UWGLOABTPYRIOT-NWANDNLSSA-N 312.413 4.699 30 20 DJED C=C[C@@H]1CCCCN1C(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1 428050723 BXEYEDPRZMHUQE-LLVKDONJSA-N 323.223 4.655 30 20 DJED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cccc(Cl)c2)s1 430588903 BBHFDTCBUKGLMV-LBPRGKRZSA-N 318.829 4.584 30 20 DJED COc1cc(CN[C@@H]2C[C@H](C(C)C)c3ccccc32)ccc1C#N 441384429 YBCDFEGSQXJQET-WOJBJXKFSA-N 320.436 4.541 30 20 DJED C=CCCN(C)[C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 467298318 MZQMYZNTMPLZRQ-ZDUSSCGKSA-N 304.821 4.872 30 20 DJED CC[C@H](CC(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 494637793 QJOUQNIOFOIGSZ-CQSZACIVSA-N 312.800 4.734 30 20 DJED N#Cc1cnccc1/C=C\c1ccc(Cl)c(C(F)(F)F)c1 504713685 YFACQAAJEZFMAD-IWQZZHSRSA-N 308.690 4.796 30 20 DJED CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 505557367 IYZODXAPLKMXIN-PBHICJAKSA-N 313.445 4.578 30 20 DJED Cc1nc(CSc2nc(-c3ccccc3)ccc2C#N)oc1C 510181177 OPITZRQFWGLUEY-UHFFFAOYSA-N 321.405 4.517 30 20 DJED COc1ccc(C#N)cc1N[C@@H](C)c1cccc2ccccc12 519940241 ZPZMEZUYFWRAEG-AWEZNQCLSA-N 302.377 4.893 30 20 DJED CCc1ccc(C(=O)Nc2ccccc2SCCC#N)cc1 520807860 SYWWCHRRUUDWON-UHFFFAOYSA-N 310.422 4.507 30 20 DJED C=CCN(Cc1cccs1)Cc1ccc(F)c2cccnc12 534334651 WZQJBRWYKAIEPL-UHFFFAOYSA-N 312.413 4.624 30 20 DJED C=C[C@@H](CC(=O)N(Cc1ccccc1F)C1CC1)c1ccccc1 534649021 PVIXGJCVEUZDOM-INIZCTEOSA-N 323.411 4.677 30 20 DJED C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cccc(OCCCC#N)c1 537635954 DFJCRLKNWSIQTD-POAQFYNOSA-N 312.457 4.522 30 20 DJED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(Oc2ccccc2)c(F)c1 549927611 BRDDCENVGXIKMV-ZOBUZTSGSA-N 324.399 4.961 30 20 DJED CC(C)c1ccoc1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 551605197 WTGJPYLHJAEULS-QGZVFWFLSA-N 324.424 4.695 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1ccc(C)cc1OCc1ccccc1 604905970 SIIAJHSCNXYPAK-MRXNPFEDSA-N 324.424 4.660 30 20 DJED C=CCCCCCN(C)C(=O)c1cc(SC)ccc1Cl 606815114 PPKBOXXAMKTGJX-UHFFFAOYSA-N 311.878 4.880 30 20 DJED CC1CCC(CC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 609650933 ALCWAHHIJQDPPG-UHFFFAOYSA-N 316.470 4.653 30 20 DJED N#Cc1cccc(CNCC2(c3cccs3)CCCCC2)c1 610090174 RFOSAJDMMKLDKS-UHFFFAOYSA-N 310.466 4.611 30 20 DJED C=CCC[C@H](NC[C@@H](Cc1ccccc1)C(F)(F)F)C1CC1 685660140 RDASNFLYRZGHOP-SJORKVTESA-N 311.391 4.742 30 20 DJED C#CCOc1ccc(CN[C@H](CC)c2ccc(Cl)cc2)cc1 733323995 CNMIPCAEQNAJQA-LJQANCHMSA-N 313.828 4.593 30 20 DJED CCOc1ccc(Cl)cc1C(=O)/C=C\c1ccc(C#N)s1 749006106 RFNSCOFDPITJAH-SREVYHEPSA-N 317.797 4.568 30 20 DJED CCc1ccc(C(=O)/C=C\c2coc(-c3ccccc3)n2)s1 749891946 PRVGBDQDIKHNLY-NTMALXAHSA-N 309.390 4.862 30 20 DJED CCC(=NNc1nc2cc(F)c(F)cc2[nH]1)C1CCCCC1 750937215 HRIKUSNGZIKGNZ-UHFFFAOYSA-N 306.360 4.599 30 20 DJED CC[C@H](C#N)OC(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F 753428988 FIHPJBGMCAYDNK-MRXNPFEDSA-N 311.356 4.569 30 20 DJED O=C(/C=C\c1ccc(OCC(F)(F)F)cc1)c1ccccc1F 757475326 RNZMSKCVTQIVEH-YFHOEESVSA-N 324.273 4.663 30 20 DJED C=CCOc1ccc(CNc2ccc(COC)cc2)cc1Cl 767739485 XCJNFZWQPPJVJS-UHFFFAOYSA-N 317.816 4.663 30 20 DJED C[C@H](CCc1cccc(F)c1)C(=O)OCCCCC(C)(C)C#N 768740711 ZPPNKANLTWLUJJ-OAHLLOKOSA-N 319.420 4.658 30 20 DJED CC(C)CC(=NNc1nccnc1C(C)C)c1cccs1 773078012 LPAQNWNEBAZUOR-UHFFFAOYSA-N 302.447 4.524 30 20 DJED CC(C)(C)c1cc(NC(=O)/C=C\c2ccsc2)c(C#N)s1 774166297 ZDSVUDHRLULKTF-PLNGDYQASA-N 316.451 4.631 30 20 DJED C[C@H](OC(=O)c1c(Cl)cccc1Cl)c1ccc(C#N)cc1 778025242 UYOQMRKOBNYIIB-JTQLQIEISA-N 320.175 4.783 30 20 DJED CC/C=C(/C)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782485189 FPHXKFVTQSVIGC-OBHDYHNASA-N 318.420 4.759 30 20 DJED Cc1ccc2c(c1)C/C(=C/c1cnc(-c3ccco3)s1)C2=O 789129568 VRQDVZCBRXXSCO-LCYFTJDESA-N 307.374 4.534 30 20 DJED COc1ccc(OC)c(C(=O)/C=C\c2ccc(C(F)F)cc2)c1 794932528 WYEOJOLDGWUXQH-UITAMQMPSA-N 318.319 4.538 30 20 DJED N#Cc1c(Cl)nsc1N[C@@H]1CC[C@H](c2cccc(F)c2)C1 795273911 JNXKOWBVDCOUNL-CMPLNLGQSA-N 321.808 4.555 30 20 DJED C=CCC[C@@H](Nc1ccc(OC)c(OCC)c1)c1ccco1 796864371 ALBJGXRNSPDAIN-OAHLLOKOSA-N 301.386 4.806 30 20 DJED C#C[C@@H](N[C@@H](C)CCCC(F)(F)F)c1ccc(Cl)cc1 811516518 NZMHRTZROMIRSD-SMDDNHRTSA-N 303.755 4.725 30 20 DJED CCCCCCC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 811612954 ODVWLGJSFIUDCU-UHFFFAOYSA-N 323.396 4.654 30 20 DJED COc1cc(NN=Cc2ccc(SC)s2)ccc1Cl 814918820 AXQPFDDWJQOISF-UHFFFAOYSA-N 312.847 4.578 30 20 DJED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 915086397 JSYAMWLCATZIPQ-UYAOXDASSA-N 316.404 4.637 30 20 DJED O=C1/C(=C/c2cccc(OC3CCCC3)c2)Cc2ccccc21 917516837 BUGPMJJZNFEYSP-SFQUDFHCSA-N 304.389 4.830 30 20 DJED CC(C)(C)c1ccc(C#N)c(N(CC2CC2)C2CCCCC2)n1 1162414156 ZSPTWCWZKDWXQR-UHFFFAOYSA-N 311.473 4.800 30 20 DJED N#Cc1ccc(SCCc2cccc(OC(F)(F)F)c2)cc1 1165544838 GHXNHIKBYYZQLQ-UHFFFAOYSA-N 323.339 4.792 30 20 DJED CN(Cc1ccc(C(C)(C)C)cc1)c1ncc(C#N)cc1Cl 1184554680 CFERSLBPOFEQGP-UHFFFAOYSA-N 313.832 4.541 30 20 DJED Cc1nc(N[C@@H]2CCC[C@@H](C(C)C)CC2)c(Cl)cc1C#N 1186195009 IUZQPZDNYAUDCS-UKRRQHHQSA-N 305.853 4.932 30 20 DJED Cc1cc(C#N)ccc1CSCc1cccc(OC(F)F)c1 1188849301 TZNBHSPSHYAGHG-UHFFFAOYSA-N 319.376 4.902 30 20 DJED CC[C@H](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1354317104 XWJXWBONBHEQAZ-NWDGAFQWSA-N 304.459 4.509 30 20 DJED CC(C)(C)C[C@H](NC(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 1355518846 QMTUFYXYOAQMDZ-SFHVURJKSA-N 324.399 4.605 30 20 DJED CC(C)Cc1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)cc1 1357211977 GWSKYNIJOJRCGD-FQEVSTJZSA-N 320.436 4.660 30 20 DJED Cc1c(C(=O)O[C@@H](C)c2ccc(C#N)cc2)oc2c(F)cccc12 1361168876 NVYLGYFZBHOGSF-LBPRGKRZSA-N 323.323 4.670 30 20 DJED Cc1ccc(C(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@H]3C)cc1 1460379715 MTGQIPRMOYEFOU-CHWSQXEVSA-N 324.449 4.866 30 20 DJED Cc1ccc(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@@H]3C)cc1 1460379729 MTGQIPRMOYEFOU-STQMWFEESA-N 324.449 4.866 30 20 DJED C[C@H](OC(=O)c1ccc(C(C)(C)C)s1)c1cccc(C#N)c1 1525564855 VUGLWBSIVNAPDP-LBPRGKRZSA-N 313.422 4.835 30 20 DJED CCC[C@@H]1CCC[C@H]1C(=O)N(c1ccc(C#N)cc1)C1CCC1 1533787761 QELMNNNRFGGBML-VQIMIIECSA-N 310.441 4.660 30 20 DJED C[C@H](OC(=O)c1cccc(C2CCC2)c1)c1cccc(C#N)c1 1544187854 WGOLSPRWAVFFPQ-AWEZNQCLSA-N 305.377 4.744 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)C[C@@H](C)c1ccccc1 1560679504 PWHLNIFWWRPZCA-GOSISDBHSA-N 306.453 4.820 30 20 DJED CC1(C)C[C@H](c2ccccc2)N(c2nc(C#N)c(Cl)s2)C1 1612519195 JBNLWLXWYUWICG-CYBMUJFWSA-N 317.845 4.646 30 20 DJED CCCN(CC[C@H](C)c1ccccc1)Cc1ccc(C#N)cc1 1621181113 MXZFPGAKOFTULI-SFHVURJKSA-N 306.453 4.964 30 20 DJED CC(C)CN(CCC#N)C(=O)C/C=C\c1ccc(C(C)C)cc1 1631260015 GKPXUVOQAGOVMV-ALCCZGGFSA-N 312.457 4.612 30 20 DJED CC(C)c1ccc([C@@H]2CCCCN2c2ncccc2C#N)cc1 1642528628 PROUTSFIVZVZHR-IBGZPJMESA-N 305.425 4.808 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)CC(C(C)C)C(C)C 1651905565 BNUJBCBKGSAHAH-UHFFFAOYSA-N 300.490 4.944 30 20 DJED N#Cc1cccnc1Sc1nc(C2CCCCC2)cs1 1652157684 RUKYTPWEBUGHRF-UHFFFAOYSA-N 301.440 4.609 30 20 DJED CC(C)c1ccc(CCNC2(c3cccc(C#N)c3)CC2)cc1 1664687198 WFWFTDNFXPHRGD-UHFFFAOYSA-N 304.437 4.503 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(Cl)cc2Cl)cc1 90530769 ZMEDBKYDRYWFLR-WTKPLQERSA-N 307.176 4.898 30 20 DJED C[C@H](NCc1ccc(C#N)cc1F)c1ccc2ccccc2c1 120100655 ARYUAQRWPUTCIH-AWEZNQCLSA-N 304.368 4.701 30 20 DJED N#Cc1cccc(Cl)c1N[C@@H]1CCO[C@H](c2ccccc2)C1 160583814 AIHZOAURFHSPSS-WBVHZDCISA-N 312.800 4.544 30 20 DJED O=C(/C=C/c1ccccc1OCc1ccccn1)c1ccsc1 194614678 WWIWZETUXWIASL-CMDGGOBGSA-N 321.401 4.618 30 20 DJED CC(=NNc1nc2ccccc2[nH]1)c1cc(Cl)ccc1Cl 254488398 CWEIESJRPQRRBS-UHFFFAOYSA-N 319.195 4.706 30 20 DJED Cc1cc(CNc2ccc(C#N)cc2C(F)(F)F)ccc1F 315046730 RBIOGGZASUHAFT-UHFFFAOYSA-N 308.278 4.637 30 20 DJED Cc1c([C@H](C)/N=C(/O)[C@@H]2CCC(=O)[C@H](C)C2)oc2ccccc12 328894320 ATCQQPLGFFZQNJ-KWCYVHTRSA-N 313.397 4.764 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cc(C)sc1C 352917334 WGRCNTBFEWCREA-UHFFFAOYSA-N 317.502 4.721 30 20 DJED C=CCC[C@@H](N[C@@H]1CCOc2c(F)cccc21)c1ccco1 375897653 KCUFVAGSSGZJCB-HZPDHXFCSA-N 301.361 4.539 30 20 DJED C[C@@H](CC(=O)N[C@@H](CCC#N)c1ccccc1)C1CCCCC1 439666273 OHWBRCPGBPHEET-LPHOPBHVSA-N 312.457 4.754 30 20 DJED Cc1nc(C)c(C#N)c(SCc2cccc(Cl)c2Cl)n1 446066316 AKJIFUDNVRCQPE-UHFFFAOYSA-N 324.236 4.564 30 20 DJED CC#CCCCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl 464535706 FBWGXJGABRTPHR-LBPRGKRZSA-N 312.240 4.706 30 20 DJED Cc1ccc2sc(C(=O)Nc3scc(C)c3C#N)cc2c1 464579843 CVDUZYUMDHDCKS-UHFFFAOYSA-N 312.419 4.704 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1cccc2c1CN(CCC(C)C)C2 468004391 LGGCLUXWJWKABL-FQEVSTJZSA-N 314.473 4.589 30 20 DJED CC(C)(NCc1cccc(C#N)c1F)c1cccc(Cl)c1F 473450461 BEKBKXIFKHWDGT-UHFFFAOYSA-N 320.770 4.515 30 20 DJED CC(C)c1cccc(N(C)C(=O)c2ccc(C(C)(C)C#N)cc2)c1 475178178 XOAKMTNQPGSNAZ-UHFFFAOYSA-N 320.436 4.888 30 20 DJED Cc1ccc2ncc(C#N)c(N3CCC[C@H]3c3ccsc3)c2c1 487868712 GIXUCGABQYIMHP-SFHVURJKSA-N 319.433 4.818 30 20 DJED N#Cc1cc(F)ccc1CSCc1coc(-c2ccccc2)n1 488458165 KUVFEZMJAUODLE-UHFFFAOYSA-N 324.380 4.786 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)C[C@H]1C=CCCC1 488667242 AFWDJQWBJYFSEP-AWEZNQCLSA-N 322.433 4.972 30 20 DJED C=CC[C@H](C)N[C@H](c1ccc(Br)cc1)c1ccco1 498795296 OETJGYXSRAJKTA-BLLLJJGKSA-N 320.230 4.686 30 20 DJED N#Cc1cccc(Oc2ccc(NC(=O)C3CCCCC3)cc2)c1 519507668 DFDBFICLUDMLMF-UHFFFAOYSA-N 320.392 4.869 30 20 DJED Cc1c(C#N)c(-c2ccccc2OC(F)F)nc2ccccc12 539406954 KLOJORXREULAPZ-UHFFFAOYSA-N 310.303 4.683 30 20 DJED C=C(C)COc1cccc(NCc2coc(-c3ccccc3)n2)c1 539920282 IZWWXEWNKXNTFA-UHFFFAOYSA-N 320.392 4.909 30 20 DJED Cc1cc([C@H](N[C@@H]2CCc3ccc(C#N)cc32)C2CC2)ccc1F 578472523 BNGRIOJPNCCEKO-NHCUHLMSSA-N 320.411 4.734 30 20 DJED N#Cc1ccc2c(c1)[C@@H](N[C@H]1C[C@H](c3ccccc3Cl)C1)CC2 581325161 KELVKLHHSAZKDH-FTRWYGJKSA-N 322.839 4.735 30 20 DJED C=C(C)COc1cccc(NC(=O)N(C)[C@@H](C)c2ccccc2)c1 589740139 LGYHRKROEVAKKR-INIZCTEOSA-N 324.424 4.866 30 20 DJED C=C(C)COc1cccc(NC(=O)N(C)C2CCC(C)CC2)c1 589740874 GVMHICPVTWKKAO-UHFFFAOYSA-N 316.445 4.684 30 20 DJED CN(C(=O)CCCCCC#N)[C@H]1CCCC[C@@H]1c1ccccc1 591311445 VABIPOFKPVJYEG-MOPGFXCFSA-N 312.457 4.645 30 20 DJED CCCCn1c(SCc2cc(C#N)ccc2F)nc(C)c1C 600817700 ROZUUKLBUKVDNC-UHFFFAOYSA-N 317.433 4.603 30 20 DJED CC(C)n1c([C@@H]2CCCN2C[C@H](C)CCC#N)nc2ccccc21 602471818 JGAPSEZQKWAYCH-APWZRJJASA-N 324.472 4.694 30 20 DJED N#Cc1ccc(/C=C/c2ccc(-c3ccc(F)cc3)s2)nc1 603894013 PNRMSGCAGWHUFP-BQYQJAHWSA-N 306.365 4.991 30 20 DJED Cc1cccnc1[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)C(C)C 611392867 RGAXDGYEHQEJDD-UXHICEINSA-N 319.452 4.626 30 20 DJED CCC(=O)c1cc(Cl)ccc1OCc1ccc(C#N)cc1F 641882029 QJJMFEYIIMRSAI-UHFFFAOYSA-N 317.747 4.522 30 20 DJED CC(C)C(CCc1ccccc1)=NNc1cnc2ccccc2n1 727256815 VAYVIQZEXAQYBN-UHFFFAOYSA-N 318.424 4.687 30 20 DJED C=C(C)CN(CC)C(=S)Nc1c(Cl)ccc(C)c1Cl 728443498 WGAHVGBBVFXWHK-UHFFFAOYSA-N 317.285 4.897 30 20 DJED C/C(=C\C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C1CC1 729375925 XCBBSGUURCNCCM-SDNWHVSQSA-N 318.376 4.645 30 20 DJED CC(C)(C)c1nc(C#N)c(NN=C2CCC[C@H]2c2ccccc2)o1 732528721 WDCDSCWOHKFFCZ-AWEZNQCLSA-N 322.412 4.579 30 20 DJED C=CC[C@@H](NC(=O)C[C@H](CC)c1ccc(C)cc1)c1ccncc1 737855604 ZSVJEEMZSQYEKE-FXAWDEMLSA-N 322.452 4.707 30 20 DJED COc1ccc(/C=C2/CCc3cc(SC)ccc3C2=O)cc1 748147420 ODSMUDSMOGORKX-PTNGSMBKSA-N 310.418 4.630 30 20 DJED C[C@H]1CC(=NNc2cncc(Cl)n2)C[C@@H](c2ccccc2)C1 749859095 PYNPQBGQPMRUBH-OCCSQVGLSA-N 314.820 4.502 30 20 DJED CCc1ccc(C=NOCc2ncc(-c3ccccc3C)o2)cc1 756848638 QGMXGIAWGTVDFJ-UHFFFAOYSA-N 320.392 4.763 30 20 DJED COc1cc(F)cc(NN=C(C)c2ccc3ccccc3c2O)c1 759212245 BYXVOGNBTOXKMJ-UHFFFAOYSA-N 324.355 4.529 30 20 DJED COc1cccc(NN=Cc2c(Cl)oc3ccccc23)c1 761256490 VPCOLPBXSWABID-UHFFFAOYSA-N 300.745 4.541 30 20 DJED CC(C)(C)[C@@H](C#N)OC(=O)c1sc2ccccc2c1Cl 765630446 QWWFOQJRIKOJTP-LLVKDONJSA-N 307.802 4.650 30 20 DJED Cc1ccc(CCC=NNc2ccc(Cl)c(Cl)c2)cn1 774362505 KRHRLPHHUSJOCU-UHFFFAOYSA-N 308.212 4.727 30 20 DJED C#CC[C@@H](N[C@H](C)c1cc2cccc(OC)c2o1)c1ccccc1 776169291 GLCIQUCBUZYSGJ-CRAIPNDOSA-N 319.404 4.857 30 20 DJED O=C1/C(=C/c2ccc(F)nc2)CCc2c1sc1ccccc21 777467237 JSMYVXWYYJZTEK-FMIVXFBMSA-N 309.365 4.648 30 20 DJED C#CCCCCCC(=O)N[C@@H](C)c1ccc(SCC)cc1 779903060 CSHNEEXOGJBNGR-HNNXBMFYSA-N 303.471 4.560 30 20 DJED O=C(/C=C\c1c(Cl)ccc(Cl)c1Cl)c1cncs1 787167237 BMGVCIYWCCEVSD-RJRFIUFISA-N 318.612 4.999 30 20 DJED O=C(/C=C/c1cnc(-c2ccco2)s1)c1ccc(Cl)cc1 788096350 AYRVNIJBZFIAKS-BQYQJAHWSA-N 315.781 4.953 30 20 DJED CC(C)O[C@H](C=NNc1ccc(F)cc1F)c1ccccc1 792868571 GYNGBCYMUJLHLE-QGZVFWFLSA-N 304.340 4.529 30 20 DJED O=C(/C=C\c1cscc1Br)c1ccc(F)cc1 794690836 KXBPANDNQRVCQQ-UTCJRWHESA-N 311.175 4.546 30 20 DJED CCCCCCCCC[C@H](C)CC(=O)N1CCC2(CCO2)CC1 800653840 YBDJUZAIBKLTKH-SFHVURJKSA-N 323.521 4.935 30 20 DJED N#Cc1c(F)cccc1/C=C/C(=O)c1cc(Cl)ccc1Cl 811684738 CMMIJOQRRXIREX-QPJJXVBHSA-N 320.150 4.900 30 20 DJED C/C(C=NNc1ccc(C(F)(F)F)cn1)=C/c1ccccc1 915917452 BUSVIVXNQNRTPX-YNNJCDJHSA-N 305.303 4.602 30 20 DJED Fc1ccc(C=NOCc2ccc(Cl)c3cccnc23)cc1 917394862 UAGLGBOTCOZWRI-UHFFFAOYSA-N 314.747 4.578 30 20 DJED CC(C)O[C@@H](COc1cc(Cl)cc(C#N)c1)c1ccccc1 1189456846 DYVXCPHSVBSNCN-SFHVURJKSA-N 315.800 4.757 30 20 DJED CC(C)(C)[C@H]1CCC[C@@H](NC(=O)Nc2sccc2C#N)CC1 1207293313 PCKNQQMEGWPSGD-UONOGXRCSA-N 319.474 4.736 30 20 DJED CC[C@@H](NCc1ccc(C#N)cc1F)C(C)(C)c1ccccc1 1308282228 GKKDHKKPXQJKBO-LJQANCHMSA-N 310.416 4.543 30 20 DJED N#Cc1ccc(CN2C[C@H]3CCCC[C@]32c2ccccc2)s1 1323332207 WFJFCUZUCWCZRQ-APWZRJJASA-N 308.450 4.521 30 20 DJED C[C@H]1CCC[C@@H](OC(=O)c2ccccc2-c2ccccc2C#N)C1 1349839574 FEKGBIRVKMALHC-DOTOQJQBSA-N 319.404 4.961 30 20 DJED CCc1cc(C#N)c(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)s1 1355185342 SEDGNWZMRIUKSS-JOCQHMNTSA-N 304.459 4.583 30 20 DJED CC1(C)CCCC[C@H]1CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 1458254201 PHJXVTKFTSWLLR-SFHVURJKSA-N 324.468 4.656 30 20 DJED COc1ccc([C@H](NCCC2(C#N)CCCCC2)C(C)C)cc1 1473337528 BRHHBDDPRUUXHY-LJQANCHMSA-N 314.473 4.846 30 20 DJED Cc1c(C#N)cccc1NC(=O)N[C@@H](CC(C)C)c1ccccc1 1476267022 PQOFGSMHRUBXGM-IBGZPJMESA-N 321.424 4.776 30 20 DJED CC(C)C(C)(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 1519283994 DUQHVNCTWWGWEM-UHFFFAOYSA-N 322.408 4.971 30 20 DJED CCC(CC)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)C)C2 1527279427 ZKIYZDASKWDMHU-CYBMUJFWSA-N 318.486 4.755 30 20 DJED CC(C)C(C)(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 1528992144 FLRPJMNXMCRJRH-UHFFFAOYSA-N 322.408 4.971 30 20 DJED CCC(CC)CN(CCC#N)c1ncnc2c1oc1ccccc12 1559156757 IVJVVRWPQCWNOV-UHFFFAOYSA-N 322.412 4.532 30 20 DJED CC(C)[C@H](Nc1ncc(C#N)cc1F)c1ccc(Cl)cc1F 1559162410 HHBKFCHMHQHGFG-HNNXBMFYSA-N 321.758 4.694 30 20 DJED CCCOc1ccc(CNc2ccccc2O[C@H](C)C#N)cc1C 1560412451 VGELIJTYNWYVKR-MRXNPFEDSA-N 324.424 4.687 30 20 DJED C[C@H](CC(C)(C)C#N)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 1560790484 FZPBXAZEDRADKR-XNRPHZJLSA-N 324.390 4.869 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)CC(C)(C)C)c2C#N)[C@H](C)C1 1583689280 GLYBSBBTQHPRRQ-WDEREUQCSA-N 304.459 4.680 30 20 DJED CC(C)c1ccc([C@@H](C)CC(=O)Nc2ccc(C#N)c(F)c2)cc1 1596289461 VOBOMIFAQGTQHC-AWEZNQCLSA-N 324.399 4.953 30 20 DJED CCCN(CCC(C)(C)C#N)[C@H]1C[C@@H](OCC)C12CCCCC2 1615712918 FOAQYCMNUSCLNF-ZWKOTPCHSA-N 320.521 4.766 30 20 DJED CCC[C@H](C(=O)N(CCC#N)CC(C)C)c1cccc(Cl)c1 1631265881 QSSSBGWLJTZIOQ-KRWDZBQOSA-N 320.864 4.622 30 20 DJED C[C@@H]1[C@H](c2ccccc2)CCN1Cc1ccc(C#N)cc1Cl 1644756149 LNLNLRNGSSZRKC-RDTXWAMCSA-N 310.828 4.590 30 20 DJED Cc1c(C#N)c(SCC2CCCCCC2)nc2c1CCC2 1651686166 LKDRDCSBQXLQFH-UHFFFAOYSA-N 300.471 4.813 30 20 DJED CC[C@H](Cc1ccc(C)cc1)NCc1ccc(C#N)c(Cl)c1 1652285308 NFWBYOPYBZUWAN-GOSISDBHSA-N 312.844 4.631 30 20 DJED CCCc1cccc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 1657255710 OXMLGOKTBXWKNW-VXKWHMMOSA-N 318.464 4.911 30 20 DJED CCN(Cc1cccc2c1CCC2)[C@H](C)c1ccc(C#N)cc1 1658489663 LGCGOPNFAWFZLV-MRXNPFEDSA-N 304.437 4.630 30 20 DJED CC(C)(CC1CCCCCC1)NC(=O)Nc1ccc(C#N)cc1 1672412730 UZBHLQRBPQJSKK-UHFFFAOYSA-N 313.445 4.819 30 20 DJED C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CCC(CC)(CC)C1 1690328569 MRJJRCKRZLMALX-CYBMUJFWSA-N 324.900 4.561 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2Cl)c(C)c1 1776133042 MEZWBFGYKIPZDX-SOFGYWHQSA-N 314.768 4.551 30 20 DJED C[C@@H](Nc1ncc(C#N)cc1Cl)c1ccc2c(c1)CCCC2 60372194 FJAKCHUTQWYVEF-GFCCVEGCSA-N 311.816 4.659 30 20 DJED C[C@@H](NC(c1ccccc1)c1ccccc1)c1ccc(C#N)cc1 74334594 IGEZCNCEOIBCIB-QGZVFWFLSA-N 312.416 4.998 30 20 DJED C[C@@H]1CC[C@@H](CC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)C1 151700049 UOCDNBHDGJOZGP-IIAWOOMASA-N 324.449 4.813 30 20 DJED C[C@H](NCc1ccccc1C(C)(C)C#N)c1cccc(F)c1F 181959866 ZYBQCSLSUFKDOG-ZDUSSCGKSA-N 314.379 4.617 30 20 DJED Cc1ccc(F)cc1CNc1ccccc1SC[C@@H](C)C#N 187282450 AXCQMKYAUKFRDP-ZDUSSCGKSA-N 314.429 4.998 30 20 DJED Cc1cc(NCCCC(C)(C)C#N)cc(C)c1Br 235769742 HUQBEAQXHZQWTG-UHFFFAOYSA-N 309.251 4.808 30 20 DJED C[C@H](C(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)(C)C 265328679 WDTSGBXLJQAXJN-CHWSQXEVSA-N 304.459 4.559 30 20 DJED CC[C@@H](C(=O)Nc1ccccc1SCCC#N)c1ccccc1 279539726 ICCZXMQTBSKTNM-MRXNPFEDSA-N 324.449 4.825 30 20 DJED C[C@H](Nc1ccc(OCC#N)cc1)c1cc2c(s1)CCCC2 316652894 RDURAJBZLHPLEZ-ZDUSSCGKSA-N 312.438 4.702 30 20 DJED C=C[C@H](CC(=O)Nc1cc2[nH]ccc2cc1C)c1ccccc1 444453764 KBBNMIRPUGKQCC-OAHLLOKOSA-N 304.393 4.775 30 20 DJED N#C[C@H]1CCC[C@H](Nc2cccc(OCc3cccc(F)c3)c2)C1 463300212 IVVBEEAPASQDAA-YJBOKZPZSA-N 324.399 4.899 30 20 DJED COCCCC[C@H](Nc1ccc(C#N)cc1F)c1ccccc1 480576962 HTTHSBXBWHUYQH-SFHVURJKSA-N 312.388 4.667 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc2occ(C)c2c1 482558589 UDNXCLBHDAVMER-UHFFFAOYSA-N 300.402 4.951 30 20 DJED Cc1nc(N[C@@H](c2ccccc2)c2cccc(F)c2)ccc1C#N 488126610 NDSGLPYDKMTTOO-FQEVSTJZSA-N 317.367 4.602 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)C[C@@H]1C=CCCC1 488667244 AFWDJQWBJYFSEP-CQSZACIVSA-N 322.433 4.972 30 20 DJED CCCC1CCC(N(C(=O)c2cccc(C#N)c2)C(C)C)CC1 504804911 HMIIVHXHPZOIGX-UHFFFAOYSA-N 312.457 4.768 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CCCC[C@@H]1C 520394020 WWXWNPORSZSASY-LPHOPBHVSA-N 312.457 4.513 30 20 DJED CSc1ccc(F)cc1CNc1ccc2cc(C#N)ccc2n1 537877291 ZBTWYKKMHAJBHE-UHFFFAOYSA-N 323.396 4.580 30 20 DJED Cc1cc([C@@H](N[C@H](C)c2ccc(C#N)cc2)C2CC2)ccc1F 539424211 KEDSBCVCKBZXBR-VLIAUNLRSA-N 308.400 4.808 30 20 DJED CC(C)(C#N)CCN[C@H](c1cccc2ccccc12)C(F)(F)F 543753958 NIAZIMWUDLSCLM-MRXNPFEDSA-N 320.358 4.973 30 20 DJED C[C@@H](c1noc(CSCc2ccc(C#N)cc2)n1)C(C)(C)C 544986312 JMPQBDKPLKIUGF-LBPRGKRZSA-N 315.442 4.524 30 20 DJED Cc1ccc(C)c2c1CCC[C@H]2N[C@@H](C)c1ccc(C#N)cc1 545313191 PBHVIJDRZQJXQD-OXJNMPFZSA-N 304.437 4.903 30 20 DJED Cc1ccsc1-c1noc(-c2ccc(C(C)(C)C#N)cc2)n1 569893007 WUOWIDPJFQRDJZ-UHFFFAOYSA-N 309.394 4.575 30 20 DJED N#CCCCCSCc1ccc(OCc2ccccc2)nc1 575195743 TWRMPCCHOUDYLU-UHFFFAOYSA-N 312.438 4.588 30 20 DJED N#CCCCCCC(=O)N1CCC(c2cccc(Cl)c2)CC1 588166001 DOEVXFFYMSSFGU-UHFFFAOYSA-N 318.848 4.520 30 20 DJED N#Cc1ccccc1C(=O)/C=C\c1cnc(-c2ccccc2)s1 588618526 XQPPVBHFBYADAM-KHPPLWFESA-N 316.385 4.578 30 20 DJED CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)CCCCCC#N 588654480 VQFOVJGMZDCXAI-IBGZPJMESA-N 314.473 4.639 30 20 DJED C=C(C)COc1cccc(NC(=O)c2cc3cc(F)ccc3[nH]2)c1 589552652 AIFSZOLXJRDIIH-UHFFFAOYSA-N 324.355 4.514 30 20 DJED CC[C@@H](C#N)c1ccc(-c2cccc(COCCOC)c2)cc1 592985885 IGTSCIHCRIQDNK-KRWDZBQOSA-N 309.409 4.534 30 20 DJED C[C@@H](SCc1ccc(C#N)cc1F)c1c(F)cccc1F 604068999 UIFAPIMVBUAPTE-SNVBAGLBSA-N 307.340 4.970 30 20 DJED N#Cc1ccc(NCc2ccccc2-c2ccc(Cl)cc2)nc1 608856153 WXLIHFUUYXIOKK-UHFFFAOYSA-N 319.795 4.886 30 20 DJED N#Cc1cccc(Oc2ccc(NC(=O)C[C@@H]3C=CCC3)cc2)c1 609427426 ROGIGWDPTBJLSF-OAHLLOKOSA-N 318.376 4.645 30 20 DJED CCCC[C@H](CC)CC(=O)N[C@H](C#N)c1ccccc1Cl 609766555 OVWHZAINESSWQX-XJKSGUPXSA-N 306.837 4.627 30 20 DJED C=CCCNC(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 661572761 ZLUVZPDJAKDNEG-HNNXBMFYSA-N 314.454 4.597 30 20 DJED Cc1ccc2c(Cl)c(C(=O)OCCCCC#N)sc2c1 729728996 VMKWLZZYGDWBAK-UHFFFAOYSA-N 307.802 4.714 30 20 DJED C=CC[C@H](NCc1ccc(-c2ccccc2)o1)c1ccncc1 734509269 JWFQQIUYXCSEFK-IBGZPJMESA-N 304.393 4.749 30 20 DJED O=C(/C=C\c1ccc(OCC(F)F)cc1)c1ccc(F)c(F)c1 741852462 LBUIUQBIKDRQGQ-BAQGIRSFSA-N 324.273 4.505 30 20 DJED Cc1cc(/C=C\C(=O)c2ccsc2)c(OC(F)F)cc1C 742434854 OWIUPXPZSSYSSB-ARJAWSKDSA-N 308.349 4.862 30 20 DJED CC(C)COc1ccc(/C=C/C(=O)c2ccc3c(c2)COC3)cc1 742438121 ZSDNKEVWHQCZEJ-BJMVGYQFSA-N 322.404 4.648 30 20 DJED Cc1cccc(NN=Cc2cc(Cl)ccc2Br)c1 743417346 HEMZWGSTKHYXOO-UHFFFAOYSA-N 323.621 4.857 30 20 DJED CCc1ccc(NC(=S)N[C@@H](CCC#N)c2ccccc2)cc1 747710929 XLCGMJILHYIWKK-SFHVURJKSA-N 323.465 4.580 30 20 DJED C[C@@H](OC(=O)c1cc2c(Cl)cccc2s1)C(C)(C)C#N 753620412 HDFGQZYWEDLOGU-SECBINFHSA-N 307.802 4.650 30 20 DJED CC(C)(C)Oc1ccc(C(=O)/C=C/c2cccnc2Cl)cc1 764918827 AOHLOBZXNINOSZ-DHZHZOJOSA-N 315.800 4.808 30 20 DJED CCCCCCCCCN(C)C(=O)Cc1nc(C)sc1C 765012400 LJIZFFYHJBGTKG-UHFFFAOYSA-N 310.507 4.511 30 20 DJED CC(=NNc1cc(Cl)ccc1Cl)C1CCSCC1 777439681 YNMXZFGQQGMIOC-UHFFFAOYSA-N 303.258 4.924 30 20 DJED CCC[C@H](N[C@H](CC)c1ccc(C#N)cc1)[C@@H](O)c1ccccc1 794830187 HWRCPYJWTZDJKC-HKBOAZHASA-N 322.452 4.501 30 20 DJED Cc1nn(C(C)C)cc1/C=C1/C(=O)c2ccccc2[C@@H]1C(C)C 798370613 SHMIYILFJQJKLU-VBIXMBBUSA-N 308.425 4.792 30 20 DJED CC(CC(C)(C)c1c[nH]c2ccccc12)=NO[C@@H]1CCCCO1 799481783 AYLJPXVLLLRFNP-GOSISDBHSA-N 314.429 4.755 30 20 DJED Cc1cc(C)c(C(=O)N(O)Cc2cccc3ccccc23)s1 901369305 AEIBFGPKQMKYJM-UHFFFAOYSA-N 311.406 4.550 30 20 DJED N#C[C@@H](c1ccccc1)c1ccc(N=Cc2ccccc2O)cc1 915113542 YFHVTOQQTBSKLD-FQEVSTJZSA-N 312.372 4.798 30 20 DJED C=CCN(Cc1cccs1)C(=O)N[C@@H](C)CCCCCC 915887102 PCDKEBWGPMVVFA-HNNXBMFYSA-N 308.491 4.805 30 20 DJED CC[C@H](Cc1ccc(Cl)cc1)N[C@H](C)c1cccc(C#N)c1 1183800149 MHHLXJNNWGSWHT-AUUYWEPGSA-N 312.844 4.884 30 20 DJED C=C(Br)CN[C@@H](c1ccc(CC(C)C)cc1)C1CC1 1192585041 NUNPEPUALNRUCF-KRWDZBQOSA-N 322.290 4.834 30 20 DJED CC(C)(C)Oc1cccc(NC(=O)Nc2ccc(CC#N)cc2)c1 1214205840 OSQGGQOWMQQQPB-UHFFFAOYSA-N 323.396 4.574 30 20 DJED Cc1ccc(C)c(C2CCN(Cc3ccc(F)cc3C#N)CC2)c1 1308133160 CJTBDWKEQPEZRN-UHFFFAOYSA-N 322.427 4.694 30 20 DJED CCC[C@@H]1CCCC[C@H]1Nc1nc(C(F)(F)F)ccc1C#N 1458163003 HDLROJJINRDTFA-DGCLKSJQSA-N 311.351 4.743 30 20 DJED Cc1cc(N2CCCC[C@@H]2c2cccc(C)c2C)ncc1C#N 1458216396 DAQDVNXGNFHVPO-LJQANCHMSA-N 305.425 4.610 30 20 DJED Cc1ccnc(NC[C@H]2CCC(C)(C)c3ccccc32)c1C#N 1472733165 SDCLNBMUTPCNCY-OAHLLOKOSA-N 305.425 4.529 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C[C@@H]1C[C@H]1c1ccccc1 1474319471 KUOBRIKBSDRRCI-SFTDATJTSA-N 304.437 4.572 30 20 DJED CCSCc1ccc(NC(=O)[C@@H](CC#N)c2ccccc2)cc1 1521766897 JEZDUYZWBMSRDV-SFHVURJKSA-N 324.449 4.576 30 20 DJED C[C@@H](NC(=O)CC1(C#N)CCCCC1)c1cccc(C2CC2)c1 1523590281 ITEUADLVDCWXSB-OAHLLOKOSA-N 310.441 4.605 30 20 DJED CCN(C(=O)C[C@H](C)CC(C)C)c1ccc(C#N)c(Cl)c1 1526042240 WDOJZMJSQYLCGT-CYBMUJFWSA-N 306.837 4.637 30 20 DJED Cc1c(C(=O)Nc2ccc(Cl)c(C#N)c2)oc2c(C)cccc12 1531847698 WKZNAPQCQPHUGO-UHFFFAOYSA-N 324.767 4.827 30 20 DJED CC[C@H](OC(=O)c1ccc(CC#N)cc1)C(C)(C)c1ccccc1 1532020326 JGIBROVWLOGUFG-IBGZPJMESA-N 321.420 4.666 30 20 DJED CC1(C)CCCC[C@@H]1C(=O)N(c1ccccc1C#N)C1CCC1 1532422043 ADGQLPWTXXFBDI-QGZVFWFLSA-N 310.441 4.660 30 20 DJED C[C@H]1C[C@H](C)CC[C@@H]1Nc1c(Br)cccc1C#N 1559107191 TXWVRNHDVPANGX-SUNKGSAMSA-N 307.235 4.557 30 20 DJED N#Cc1cnc(N2CC3(CCCC3)[C@H]2c2ccccc2)c(Cl)c1 1559206614 IBAHKQGSZKTBCA-QGZVFWFLSA-N 323.827 4.728 30 20 DJED Cc1cccc(C)c1CN(CCc1ccc(C#N)cc1)CC(C)C 1559935453 JSCTZBNKPDEEIY-UHFFFAOYSA-N 320.480 4.876 30 20 DJED COc1cc(Cl)c(Cl)cc1NC1CCC(C)(C#N)CC1 1560754263 DQRSMMGJQUJTCD-UHFFFAOYSA-N 313.228 4.886 30 20 DJED C[C@H]1CN([C@@H](C#N)c2ccccc2)CCc2ccc(Cl)cc21 1619638728 GBGUNVMTBFQJEB-LIRRHRJNSA-N 310.828 4.566 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1csc(C(F)(F)F)c1 1621404882 ZURYLRCUNFYAFO-NSHDSACASA-N 324.371 4.832 30 20 DJED Cc1nc(N[C@H](C)c2cccc(C3CC3)c2)c(Cl)cc1C#N 1642724977 IOYIIIMRWCBEJI-LLVKDONJSA-N 311.816 4.966 30 20 DJED CCc1nc2ccc(Nc3snc(Cl)c3C#N)cc2s1 1655607280 NOTNNNHZMOBVJH-UHFFFAOYSA-N 320.830 4.584 30 20 DJED C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1cccc(OC(F)(F)F)c1 1658852449 IGQJJSZIKYYRHU-RYUDHWBXSA-N 314.351 4.564 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccc2[nH]ccc2c1 1663841852 VNXQXWVPOIAHIH-UHFFFAOYSA-N 317.436 4.698 30 20 DJED CCc1c(C)sc(NC(=O)c2ccc(C(C)C)cc2)c1C#N 6122893 GGQOHIIBWFUZBN-UHFFFAOYSA-N 312.438 4.866 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC(=O)CCC1CCCCC1 60017595 MXRNPWJCSJOMQR-UHFFFAOYSA-N 314.429 4.644 30 20 DJED N#Cc1ccc(SCc2ccc(OC(F)(F)F)cc2)cc1 108040338 CVSBNJAFTGLQIL-UHFFFAOYSA-N 309.312 4.749 30 20 DJED Cc1ccc(CN[C@H](C)c2cccc(C#N)c2)c(OCC2CC2)c1 181878428 RHBZDSPCZYAOQH-MRXNPFEDSA-N 320.436 4.506 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)C/C=C\c2ccccc2F)cc1 255081075 GJDUBDKXNDJZCC-ALCCZGGFSA-N 322.383 4.669 30 20 DJED N#Cc1nc(N2CCC[C@@H]2c2cccc(Cl)c2)ccc1Cl 301507915 CARVJROJFINHJK-OAHLLOKOSA-N 318.207 4.602 30 20 DJED CCOc1ccc2nc(S[C@H](C)c3ccc(C#N)cc3)[nH]c2c1 303736157 XECNSIFIIZWNBP-GFCCVEGCSA-N 323.421 4.687 30 20 DJED N#CCCC[C@H](NCc1cc2ccc(F)cc2[nH]1)c1ccccc1 353911816 CYLIWBOIJGRZPK-IBGZPJMESA-N 321.399 4.832 30 20 DJED C[C@@H](NCc1ccco1)c1ccc(-c2cccc(C#N)c2)cc1 374694212 OBCIOVSFVOHKPC-OAHLLOKOSA-N 302.377 4.669 30 20 DJED C[C@@H](c1ccccc1)N(C(=O)c1ccc(C#N)s1)C1CCCC1 425581128 KDEMQNDIHRMECM-AWEZNQCLSA-N 324.449 4.766 30 20 DJED Cc1c(C#N)cccc1NC(=O)N(C)Cc1ccc(C(C)C)cc1 431731419 AWQZFPAJLBHREM-UHFFFAOYSA-N 321.424 4.654 30 20 DJED N#CCC[C@@H](Nc1ccc2c(Cl)cccc2n1)c1ccccc1 443496121 CLTHJMUMNMTDOC-QGZVFWFLSA-N 321.811 5.345 30 20 DJED N#Cc1cccc(Cl)c1NCc1ccc(Br)cc1 462829461 FRSUIEQAICMMNS-UHFFFAOYSA-N 321.605 4.586 30 20 DJED C=CCC(CC=C)C(=O)N1CC[C@H](C)Sc2ccccc21 467733892 CIWUBCKIFAXEIA-AWEZNQCLSA-N 301.455 4.672 30 20 DJED CCCC(C)(C)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483666756 KEDCGTNHXFXGMT-UHFFFAOYSA-N 322.408 4.659 30 20 DJED CCc1cccc(NC(=O)N(CCC#N)CCC(C)C)c1CC 487660810 UXBMXEUCDBBLMR-UHFFFAOYSA-N 315.461 4.605 30 20 DJED C=CCC(C)(C)CNC(=O)c1ccc(CCC(F)(F)F)cc1 489968228 WFPVOZZBPQRCRP-UHFFFAOYSA-N 313.363 4.514 30 20 DJED C=C(C)CCN[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 508968575 XVHDPXBWOVVBIT-MRXNPFEDSA-N 308.425 4.556 30 20 DJED Cc1noc(C)c1CSc1nc(-c2ccccc2)ccc1C#N 510218436 QYDKEWYSGOQTBE-UHFFFAOYSA-N 321.405 4.517 30 20 DJED CCN(C(=O)CC(C)(C)c1ccc(C)cc1)c1ccc(C#N)cc1 510400423 ZARDBXDGJXZVOH-UHFFFAOYSA-N 320.436 4.588 30 20 DJED Cc1ccc(C)c2c(C)c(C(=O)N[C@@]3(C#N)CCC[C@H](C)C3)oc12 522642289 AOMMAPYPQPNANH-YUNKPMOVSA-N 324.424 4.560 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)CC2(c3ccccc3)CC2)cc1 527864048 DLYMUXUUIZOCDZ-UHFFFAOYSA-N 318.420 4.548 30 20 DJED CSc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1F 531696294 FXBNZOHUMPPQRH-OLZOCXBDSA-N 314.429 4.831 30 20 DJED C=CCCC[C@H](C)NC(=O)N(C)[C@@H](C)c1ccccc1Cl 537187156 VUQHRZIEYSQHTF-KBPBESRZSA-N 308.853 4.787 30 20 DJED N#CCC[C@H](N[C@H]1CCc2c(Cl)cccc21)c1ccccc1 539046792 MMXTUANKDSFLRA-OALUTQOASA-N 310.828 4.962 30 20 DJED Cc1ccccc1[C@@H](CC(C)C)NCc1cccc(C#N)c1F 539259910 DLLDIASGVZXIDW-LJQANCHMSA-N 310.416 4.883 30 20 DJED C[C@@H]1CCCC[C@H]1c1noc(CSc2ccc(C#N)cc2)n1 544758105 WPXYDNKUQWWUGP-IUODEOHRSA-N 313.426 4.527 30 20 DJED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cccc(Cl)c1 552970667 ZBYQXZPGVTWEMF-BFUOFWGJSA-N 310.828 4.940 30 20 DJED COc1ccc2cc([C@H](C)NCc3ccc(C#N)s3)ccc2c1 557757111 YRNURGAJLOXFOP-ZDUSSCGKSA-N 322.433 4.632 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)C(C1CCC1)C1CCC1 565114432 JYZUDLXVMASGNN-UHFFFAOYSA-N 324.468 4.513 30 20 DJED C=C[C@@H](CC(=O)N1CCC[C@@H](c2ccccc2)C1)c1ccccc1 569520995 YVAPMPQBYJINAR-GHTZIAJQSA-N 319.448 4.753 30 20 DJED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc2occc2c1 572763093 CQYVQVWQOASDGX-PMACEKPBSA-N 316.404 4.705 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccc(OCCC)c(Cl)c1 591496840 HNMKRURKMWWEAG-UHFFFAOYSA-N 310.825 4.559 30 20 DJED CSc1ccsc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 593595356 IVXZUQICJBUKSG-LBPRGKRZSA-N 324.430 4.508 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1cccc(Sc2ccccc2)c1 604907340 ZZBREESVWZLQHZ-CQSZACIVSA-N 312.438 4.924 30 20 DJED CC(C)Cc1ccc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)cc1 647375717 DEDGJSZGJSAXHN-INIZCTEOSA-N 324.449 4.709 30 20 DJED CCC(CC)CN(CCC#N)C(=S)Nc1ccccc1Cl 729643070 YYKLOWPVHOHFCR-UHFFFAOYSA-N 323.893 4.689 30 20 DJED CC(=NNc1ccc(OC(F)F)cc1)[C@H](C)c1ccccc1 746370013 FHWOROXEZQSLPZ-LBPRGKRZSA-N 304.340 4.880 30 20 DJED C#CCCSc1nnc(-c2ccc(F)cc2)c2ccccc12 751732811 LOSCIWQCXJKNSU-UHFFFAOYSA-N 308.381 4.551 30 20 DJED COc1ccsc1/C=C\C(=O)c1cc(C)ccc1OC(F)F 764432721 HQMVTFGWDMNFIE-XQRVVYSFSA-N 324.348 4.563 30 20 DJED CC(C)(C#N)CCCCOC(=O)/C=C\c1ccc(Cl)s1 768459039 DIFVTHOJSLKAOF-VURMDHGXSA-N 311.834 4.678 30 20 DJED Cc1ccc(-c2ccc(C(=O)OC(C)(C)C#N)c(F)c2)cc1C 779227406 IQJFWJMPRIJJIX-UHFFFAOYSA-N 311.356 4.569 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1sccc1Cl 782328111 OBIQSSZUPRJWGZ-WAYWQWQTSA-N 308.834 4.692 30 20 DJED CSc1ccc(C(=O)/C=C\c2ccc3cnccc3c2)cc1F 782340408 CEJRQMUFLGWTGT-UTCJRWHESA-N 323.392 4.992 30 20 DJED C=CC[C@H](N[C@H]1CC[C@@](C)(c2ccccc2)C1)c1ccncc1 783247435 WXVRRQVLICPABN-PCCBWWKXSA-N 306.453 4.799 30 20 DJED COc1ccc(C(=O)/C=C/c2cc(C)c3ncccc3c2)c(F)c1 783695702 IFERAQOJMMBVAN-VMPITWQZSA-N 321.351 4.587 30 20 DJED CC(C)(C)C=NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1 794979323 FSHPUKQEYWDQMN-UHFFFAOYSA-N 322.334 4.606 30 20 DJED CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)[C@H](C#N)c1ccccn1 796780011 GEQWVJHSXDSCHI-NHUHVJRWSA-N 324.468 4.891 30 20 DJED C/C(=C/c1ccccc1OC(F)F)CN(CCC#N)CC(C)C 811452843 AOHCUEKDHKKUJL-PTNGSMBKSA-N 322.399 4.563 30 20 DJED C[C@H](NCc1ccc(O[C@H](C)C#N)cc1)c1cccc(C2CC2)c1 824462626 HMOASDJZSPXCIN-CVEARBPZSA-N 320.436 4.706 30 20 DJED CC(C)c1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)ccc1O 882655451 PTEBVYWHCMZVJD-UHFFFAOYSA-N 322.408 4.569 30 20 DJED CC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cc(F)ccc1OC 903370975 MIDKCBHETHDIBG-ACJLOTCBSA-N 312.388 4.508 30 20 DJED CC(=NNc1ccc(Cl)cc1Cl)c1nc(C)sc1C 916338267 LTBITJUQAQUKBJ-UHFFFAOYSA-N 314.241 4.903 30 20 DJED CCCCCCCC(=O)N1CCC[C@H]1Cc1cccc(OC)c1 917820476 KSQUIMUMMJPTKS-SFHVURJKSA-N 317.473 4.589 30 20 DJED CC(C)[C@@H](Nc1ccc(OCC#N)cc1)c1cc(F)ccc1F 1116876294 TZYBGBZWXDONEC-GOSISDBHSA-N 316.351 4.676 30 20 DJED C=C(C)CCC(=O)Nc1ccc(NC(=O)CCC(=C)C)c(C)c1 1120670997 YVJQHYRUDCMUHO-UHFFFAOYSA-N 314.429 4.585 30 20 DJED CCC[C@H](C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C(C)C 1126564668 MPWKFVAUMDKRDF-ZDUSSCGKSA-N 312.335 4.588 30 20 DJED CC(C)CC(CC(C)C)C(=O)N[C@H](CCC#N)c1ccccc1 1127379418 WGLDOXDCZFPXOR-LJQANCHMSA-N 314.473 4.856 30 20 DJED CCCC[C@H]1CCC[C@@H]1NCc1ccc(C#N)cc1OC(F)F 1168981037 LMUVZACAUBCCGM-HOCLYGCPSA-N 322.399 4.608 30 20 DJED Cc1cc(Oc2ccc(Sc3ccncc3)cc2)ncc1C#N 1185108343 YJSFXAOXHXDRBF-UHFFFAOYSA-N 319.389 4.600 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1Cc2ccccc2C2(CCC2)C1 1307760873 KHWRSNLZKYSIPT-INIZCTEOSA-N 302.421 4.557 30 20 DJED COc1cc(-c2ccccc2)ccc1CN(CCC#N)CC(C)C 1308650999 QJKKGRBTAZEBDS-UHFFFAOYSA-N 322.452 4.734 30 20 DJED Cc1cc(C#N)cc(NC(=O)N[C@H]2CCC[C@@H]2CCC(C)C)c1 1310872332 LUDZOJPQGOJQBW-AEFFLSMTSA-N 313.445 4.593 30 20 DJED CC(C)CC(CC(C)C)C(=O)Nc1sc2c(c1C#N)CCC2 1352000546 LFUJAGAFCWPIIZ-UHFFFAOYSA-N 318.486 4.755 30 20 DJED Cc1ccc(C(=O)N(CCC#N)CC(C)(C)C)c2ccccc12 1359885964 AOGKRLSFMDPAQF-UHFFFAOYSA-N 308.425 4.550 30 20 DJED C[C@H](Sc1ccc(C#N)cc1)c1nc(-c2cccs2)no1 1458907860 BGECETBFXWHWBU-JTQLQIEISA-N 313.407 4.523 30 20 DJED C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)CC2(C#N)CCCCC2)C1 1459950843 KIOSFCGQOBHMLX-MJGOQNOKSA-N 324.468 4.850 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1=CCC(C)(C)CC1 1464552389 YTEHOGWSDTXVSB-UHFFFAOYSA-N 324.468 4.679 30 20 DJED CCOC(=O)Nc1ccc(N[C@@H]2CCC[C@H](CC)C2)cc1C#N 1474435025 QKEWPIYHMDDFGE-DZGCQCFKSA-N 315.417 4.507 30 20 DJED N#C[C@@H]1CCC[C@@H](Nc2cccc(OCCc3ccccc3)c2)C1 1560787902 FMWWDIUCFXXIAA-RTBURBONSA-N 320.436 4.802 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)CCC3(C)CC3)c2C#N)[C@H](C)C1 1583694346 IYPPNEHUXCRVAB-NWDGAFQWSA-N 316.470 4.824 30 20 DJED C[C@H](SCC1(C)CCCCC1)C(=O)Nc1ccccc1C#N 1613797951 UIUKCVKZLCTEJS-AWEZNQCLSA-N 316.470 4.589 30 20 DJED CCCN(CCC(C)(C)C#N)[C@H]1C[C@H](OCC)C12CCCCC2 1615712916 FOAQYCMNUSCLNF-ROUUACIJSA-N 320.521 4.766 30 20 DJED CC(C)(NCc1ccc(Cl)cc1C#N)c1ccc(F)cc1F 1620585272 SDHBLVDLPPZPJO-UHFFFAOYSA-N 320.770 4.515 30 20 DJED CC(C)(C)[C@@H](Nc1ncc(C#N)cc1Cl)c1ccc(F)cc1 1639646973 WXIVVSLCODZPQH-HNNXBMFYSA-N 317.795 4.945 30 20 DJED Cc1cc(SCc2ccc(-c3ncco3)cc2F)ccc1C#N 1641226268 UQDFBKBJIHDXNK-UHFFFAOYSA-N 324.380 4.953 30 20 DJED COc1ccccc1[C@@H]1CCCN1CCC1(C#N)CCCCC1 1641696372 XOULPLZLIGOXAR-SFHVURJKSA-N 312.457 4.696 30 20 DJED N#CC1(CN(C2CC2)[C@H]2CCCC[C@@H]2C2CCCCC2)CC1 1652620194 LVFGBNDVASLRMK-MOPGFXCFSA-N 300.490 4.894 30 20 DJED C[C@H](Nc1ncc(C#N)cc1F)c1cc(Cl)ccc1Cl 1655395480 IWCKZGYYBRTOQY-QMMMGPOBSA-N 310.159 4.572 30 20 DJED N#Cc1ccccc1OCCN1CCCCC[C@H]1c1ccccc1 1657137876 BWSXIAJSMMWHJL-FQEVSTJZSA-N 320.436 4.554 30 20 DJED N#Cc1c(F)cccc1CN[C@@H]1CCC[C@H](c2ccccc2)C1 1659107431 XLFYNOXOVQQXLT-FUHWJXTLSA-N 308.400 4.513 30 20 DJED Cc1cc(Cl)ccc1N[C@H](C)c1ccc(OCC#N)cc1 37217095 MJCPBQIELHBDLE-CYBMUJFWSA-N 300.789 4.724 30 20 DJED CC(C)Oc1ccc(CNc2ccc(C#N)c(Cl)c2)cc1 37253270 WDYQXTIUGWFHHE-UHFFFAOYSA-N 300.789 4.611 30 20 DJED Cc1cn2c(/C=C/C(=O)c3ccc(Cl)s3)c(C)nc2s1 48391488 FCCNTRRANFWNNL-ONEGZZNKSA-N 322.842 4.624 30 20 DJED N#Cc1ccccc1Oc1ccc(NC(=O)C2CCCCC2)cc1 65680110 GVPVIPDHUXXBHP-UHFFFAOYSA-N 320.392 4.869 30 20 DJED Cc1ccc(-c2nnc(S[C@@H](C)c3ccc(C#N)cc3)[nH]2)cc1 118173206 YNXOOOVHMQQFEW-ZDUSSCGKSA-N 320.421 4.505 30 20 DJED Cc1cc(C)c(NC(=O)N[C@@H](CCC#N)c2ccccc2)c(C)c1 159607550 YEMFQLKBWQFKKU-SFHVURJKSA-N 321.424 4.778 30 20 DJED C/C=C(\C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 175824706 GULORKXJBORPFX-IXFQTGQWSA-N 324.811 4.900 30 20 DJED CC(C)[C@H](NCc1cc(C#N)cs1)c1ccccc1Cl 177702144 JYFHAQUVEJGNHL-INIZCTEOSA-N 304.846 4.760 30 20 DJED Cc1cc(C#N)ccc1CN[C@H](C)c1ccc(F)cc1Cl 186322270 QANBQFIJPMRZKJ-GFCCVEGCSA-N 302.780 4.510 30 20 DJED C=CCC1(C(=O)Nc2cc(-c3nc(C)co3)ccc2C)CCC1 191924404 NDFGNLGEAPLXNW-UHFFFAOYSA-N 310.397 4.643 30 20 DJED CCCOc1ccc(Cl)cc1NCc1ccccc1C#N 226365656 JPXUKZTZBVTXJV-UHFFFAOYSA-N 300.789 4.613 30 20 DJED Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C\c1cccnc1 255372404 LZHOQFDOTYTNLU-WTKPLQERSA-N 324.380 4.549 30 20 DJED C[C@@H](c1ccc2ccccc2c1)N(C(=O)CCCC#N)C1CC1 291426274 GQJZIKFUYRYUFD-HNNXBMFYSA-N 306.409 4.586 30 20 DJED Cc1nc(C)c(-c2csc(N=C(O)[C@@H]3CC[C@H](C)C3)n2)s1 329253117 YXJLJRSCIIKVHS-GZMMTYOYSA-N 321.471 4.908 30 20 DJED Cc1nc(C)c(-c2csc(N=C(O)[C@H]3CC[C@H](C)C3)n2)s1 329253119 YXJLJRSCIIKVHS-KWQFWETISA-N 321.471 4.908 30 20 DJED C[C@@H](CCc1ccccc1F)N[C@@H](CCC#N)c1ccccc1 358340980 NGBMJOUKVLWESK-JXFKEZNVSA-N 310.416 4.781 30 20 DJED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cc(F)cc(F)c1 417376893 CQGXEOWGNSIHNJ-BLVKFPJESA-N 312.363 4.565 30 20 DJED CCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H]1CCCC[C@H]1C 475604995 SYHZCVRLXBOTRB-NZSAHSFTSA-N 312.457 4.501 30 20 DJED CC[C@@H](NC[C@@H]1CCCCC(F)(F)C1)c1ccc(C#N)cc1 495004897 NAQWUTWDQKQMOV-NVXWUHKLSA-N 306.400 4.815 30 20 DJED N#Cc1cccc(CNC(=O)c2ccc(C3CCCCC3)cc2)c1 496723525 PVOPCYGEUFSINU-UHFFFAOYSA-N 318.420 4.536 30 20 DJED C=C(C)CCc1noc([C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)n1 508642843 BTIRMEWVONNMKQ-KGLIPLIRSA-N 322.330 4.868 30 20 DJED CC[C@@](C)(C#N)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 509988228 WNDGNNOKGQATIR-QRWLVFNGSA-N 322.408 4.596 30 20 DJED CC[C@H](C)CCC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 512097877 GLVSBSVALYOQFT-GXFFZTMASA-N 313.228 4.501 30 20 DJED Cc1cc(N2CCCCCC2)ccc1NCc1ccc(C#N)cc1 512869569 UZROADIUQCZACP-UHFFFAOYSA-N 319.452 4.859 30 20 DJED CCCC(CCC)S[C@@H](C)C(=O)Nc1cccc(C#N)c1 520165758 HRNSWMCGLBFXAU-ZDUSSCGKSA-N 304.459 4.587 30 20 DJED CC(C)OCCCSc1nc(-c2ccccc2)ccc1C#N 525006020 AKVREUHJNVUZEW-UHFFFAOYSA-N 312.438 4.527 30 20 DJED C[C@@H]1OCC[C@H]1SCc1ccc(-c2ccccc2C#N)cc1 533626102 JGFHFGIMBLJSSV-IFXJQAMLSA-N 309.434 4.636 30 20 DJED C=C[C@@H](CC(=O)N(C)c1cccc(SC)c1)c1ccccc1 535411178 PFOZHVBDHORPCB-HNNXBMFYSA-N 311.450 4.731 30 20 DJED C=CCCCN[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C 543499882 KFFRPLBYQWTFBM-ZDUSSCGKSA-N 316.470 4.744 30 20 DJED C=CCCCCCN(C)C(=O)Cc1c(C)nc2ccccc2c1C 606816415 VXTULVXVMDHCBA-UHFFFAOYSA-N 324.468 4.599 30 20 DJED CCCCN(C(=O)c1ccc(CC#N)cc1)[C@H](C)c1ccc(C)o1 611147082 YGUWBYDHFDMXBQ-MRXNPFEDSA-N 324.424 4.658 30 20 DJED CCOc1cccc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c1 611392074 GKKUTMPCLZSJAO-QVKFZJNVSA-N 320.436 4.685 30 20 DJED CCc1ccc([C@@H](CC)N[C@H]2CCc3cc(C#N)ccc32)cc1 618803040 GRCYZNIGAOHKEB-RTWAWAEBSA-N 304.437 4.849 30 20 DJED C[C@@H]1CC[C@H](N[C@H]2CCc3cc(C#N)ccc32)c2ccccc21 618804054 JUDKKGAPSVOOEX-OREJSRFESA-N 302.421 4.774 30 20 DJED C=CCn1c(SCC2CCCC2)nnc1-c1ccc(F)cc1 643094003 NTFUUSRFOKLMGK-UHFFFAOYSA-N 317.433 4.553 30 20 DJED C=CC[C@@H]1CCCN(C(=O)Nc2c(C)cccc2SC)C1 666737971 UVUQKVLIGYCXBX-CQSZACIVSA-N 304.459 4.537 30 20 DJED CC(Cc1cccs1)=NNc1ccccc1Br 729635117 CZAXPOXVRSVZPM-UHFFFAOYSA-N 309.232 4.541 30 20 DJED Cc1ccc(-c2nc(/C=C3/Cc4ccc(F)cc4C3=O)co2)cc1 749894186 PILPQJFBWHEFNO-DHDCSXOGSA-N 319.335 4.612 30 20 DJED N#CCCCCOC(=O)c1cc(Cl)ccc1OC1CCCC1 750468133 HKJKQOMLCPMLLN-UHFFFAOYSA-N 321.804 4.512 30 20 DJED C=C(C)CCOC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 751854240 YTDCVKYPILLBSD-YPXDRJKUSA-N 316.363 4.645 30 20 DJED C=CC[C@@H](N[C@@H](C)c1ccc2ccccc2c1O)c1ccncc1 756582480 JBCBZUNXJAWCRZ-MGPUTAFESA-N 318.420 4.908 30 20 DJED C#CC[C@H](N[C@H](C)c1ccc(OC(C)C)cc1)c1ccccc1 773105463 HIABAPAVZSTFTI-UTKZUKDTSA-N 307.437 4.889 30 20 DJED Clc1ccc(C2CC(=NNc3cnc4ccccc4n3)C2)cc1 783840045 UKIJMPRZLSBMGV-UHFFFAOYSA-N 322.799 4.629 30 20 DJED Cc1cccc(OC(=O)C[C@H](CC#N)c2ccccc2)c1Cl 796904526 KRRDLEXJUJXCGY-HNNXBMFYSA-N 313.784 4.641 30 20 DJED c1ccc(C[C@H]2CCCC2=NNc2nccnc2C2CCC2)cc1 807992425 IWAZPAWBEAEEOH-QGZVFWFLSA-N 320.440 4.555 30 20 DJED CN(C(=O)Nc1cccc(CC#N)c1)c1ccc(C(C)(C)C)cc1 847194232 UVEUZLRXSIXHQF-UHFFFAOYSA-N 321.424 4.718 30 20 DJED CC(C)Oc1ccccc1C=NOCc1ccc(F)cc1Cl 852289165 KFCATCTUXFMPMM-UHFFFAOYSA-N 321.779 4.817 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)C1C[C@H]2CCC[C@H](C1)C2 1129674747 MCRYEXPZIUGQDR-GJZGRUSLSA-N 318.420 4.866 30 20 DJED Cc1nc(C#N)cc(N[C@@H](c2ccc(F)cc2)C2CCCCC2)n1 1163920516 DPKNRZSYBNYAMR-LJQANCHMSA-N 324.403 4.529 30 20 DJED Cc1ccc([C@@H]2[C@@H](C)CCCN2Cc2ccc(C#N)s2)cc1 1167478834 ZBRKKOGCULULOZ-KXBFYZLASA-N 310.466 4.901 30 20 DJED CCCc1c(N[C@@H]2CCC[C@H](C#N)C2)cnn1-c1cccc(C)c1 1181337797 TXRPJTGDDVSYHI-DLBZAZTESA-N 322.456 4.628 30 20 DJED Cc1cc(C)c(/C=C\CN[C@@H](C)c2ccc(C#N)cc2)c(C)c1 1199821948 CPEWQIRHMSNOHY-XFHJGTJQSA-N 304.437 4.848 30 20 DJED CC[C@@H](OC(=O)c1cc(C#N)cs1)c1cccc(Cl)c1F 1269569221 ZUNWQZJKRDLRNZ-GFCCVEGCSA-N 323.776 4.720 30 20 DJED C[C@@H]1CC[C@H](C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C 1456951914 XWQXHVOELXIRTA-UTUOFQBUSA-N 324.346 4.588 30 20 DJED N#CCCN(CCc1c(Cl)cccc1Cl)Cc1ccco1 1459602326 LDRWSEFMBBUGLP-UHFFFAOYSA-N 323.223 4.545 30 20 DJED C[C@@]1(c2ccccc2)CC[C@@H](NCc2ccc(C#N)c(Cl)c2)C1 1462145107 NYBWJJWDMDDVLQ-UYAOXDASSA-N 324.855 4.812 30 20 DJED CC(C)(C)[C@@H]1CN(C(=O)C2(C#N)CCCCC2)c2ccccc21 1530839085 IDODDYKACXNPSA-MRXNPFEDSA-N 310.441 4.637 30 20 DJED CCCn1c(S[C@H]2CC[C@H](C#N)C2)nc2cc(Cl)ccc21 1559329046 XQMTUOQWCCNAOZ-AAEUAGOBSA-N 319.861 4.884 30 20 DJED Cc1c(NCC(C)(C)C)cccc1C(=O)Nc1cccc(C#N)c1 1586892312 DTGOOOCMLQCACE-UHFFFAOYSA-N 321.424 4.577 30 20 DJED Cc1cc(Nc2nc(C)c(C#N)cc2Cl)ccc1OC(C)C 1612000667 AKVDOEVVRHSLAP-UHFFFAOYSA-N 315.804 4.754 30 20 DJED N#Cc1cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cs1 1623949755 LAULCRVFHCTFDV-UHFFFAOYSA-N 319.389 4.616 30 20 DJED Cc1ccccc1[C@H]1CCCN1c1nc(C(C)(C)C)ccc1C#N 1642110136 UTAKRNNUBZZMQW-GOSISDBHSA-N 319.452 4.901 30 20 DJED N#CC1(CCN2CCCSc3ccccc32)CCCCC1 1654016929 NGOLTHOECWFTLP-UHFFFAOYSA-N 300.471 4.853 30 20 DJED Cc1cc(CN(C)[C@@H](c2ccccc2)C(F)(F)F)ccc1C#N 1658503749 XZBQFCMZJWIJAX-KRWDZBQOSA-N 318.342 4.602 30 20 DJED CC(C)Cc1ccc([C@@H](C)[C@H](C)NCC(C)(C)CC#N)cc1 1659994948 JUUZYYLXQJKNBD-IRXDYDNUSA-N 300.490 4.907 30 20 DJED C[C@H](CCN[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 1665022394 QMDVSGYGARPRKW-IERDGZPVSA-N 304.437 4.719 30 20 DJED CC(C)=CCC[C@H](C)CC=NNc1ccc(F)c(C(=O)O)c1 1776061117 GIUNGOBDNLWDCS-ZDUSSCGKSA-N 306.381 4.694 30 20 DJED CC(=NNc1ccc(C(=O)O)c(F)c1)c1ccc2ccccc2c1 1776073474 WRAAIZDUFOKEPZ-UHFFFAOYSA-N 322.339 4.513 30 20 DJED CC(C)Cc1ccc(/C=C\C(=O)c2csc(C(=O)O)c2)cc1 1776340477 VNMYJODDSIEFFQ-FPLPWBNLSA-N 314.406 4.541 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(F)cc1Cl 60208212 MNQGTQUVUDJLKW-UHFFFAOYSA-N 316.807 4.761 30 20 DJED C[C@H](Nc1nc(C(F)F)nc2ccccc12)c1ccc(C#N)cc1 66453019 DPXHJVMKRWGSLX-NSHDSACASA-N 324.334 4.612 30 20 DJED CC[C@H](CC(=O)N[C@H](CCC#N)c1ccccc1)c1ccccc1 153343423 MRXQBMXYDUWUHP-YLJYHZDGSA-N 320.436 4.732 30 20 DJED CC(C)n1cc(/C=C/C(=O)c2cc(Cl)sc2Cl)cn1 171981736 JIOVKRDWSVWBCA-ONEGZZNKSA-N 315.225 4.728 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)[C@@H](C)CC2CCCC2)n1 177761280 QEAXOVULMUUJFK-GXTWGEPZSA-N 304.459 4.659 30 20 DJED Cc1c([C@@H](NCCCSCC#N)C(C)C)oc2ccccc12 183277004 NWEIEXMPRWZSIL-KRWDZBQOSA-N 316.470 4.675 30 20 DJED N#CCCCCSc1nc2ccccc2n1-c1ccccc1 195550728 UXHBCQPYSOEXTQ-UHFFFAOYSA-N 307.422 4.811 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2nc(-c3ccccc3)cs2)cc1 206843508 MOGFPGCORLJLDV-KHPPLWFESA-N 316.385 4.578 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)/C=C\C2CCCCC2)n1 255919210 DFFPGDTUCVHEGW-QIAWRQBBSA-N 302.443 4.579 30 20 DJED Cc1ccc(C)c([C@@H]2CCCN2c2snc(Cl)c2C#N)c1 301676225 QKXRDRADQAEWCW-AWEZNQCLSA-N 317.845 4.627 30 20 DJED CCC(CC)c1cc(CNc2ccc3cc(C#N)ccc3n2)on1 301823662 NJHNGNKQXFWBQT-UHFFFAOYSA-N 320.396 4.610 30 20 DJED Cc1nc([C@H](C)Nc2cccc(OCCCC#N)c2)c(C)s1 314443627 INWZBWGMQNTXGI-LBPRGKRZSA-N 315.442 4.616 30 20 DJED CC(C)(C)[C@@H]1N=C(O)CC[C@H]1/N=C(/O)[C@@H]1CCCCC1(C)C 329266580 HLVNAHVHFONPPY-GZBFAFLISA-N 308.466 4.693 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCCc2cc(F)ccc21 341897198 QMICHDONQJNZCM-RTWAWAEBSA-N 320.411 4.742 30 20 DJED C=CC[C@H](CC)NC(=O)CC(c1ccccc1)c1ccccc1 410131422 RFLXOOIAOZCQAM-IBGZPJMESA-N 307.437 4.680 30 20 DJED CC(C)[C@H](CCc1ccc(Cl)cc1)NCC1(CC#N)CC1 430724619 ORCLRFHBNXBSJQ-KRWDZBQOSA-N 304.865 4.581 30 20 DJED C=CCN(CC=C)C(=O)Nc1cc(-c2ccc(C)o2)ccc1C 432990937 HSUUFACAJAJYKI-UHFFFAOYSA-N 310.397 4.769 30 20 DJED C=CCC[C@@H](NC(=O)[C@H](C)c1cccc(OC)c1)c1ccccc1 435272882 UGSCJMLBDZVAGJ-OXQOHEQNSA-N 323.436 4.622 30 20 DJED C=CCc1cc(C)cc(OC)c1OCc1ncc(C(C)(C)C)o1 438303750 KEXWOQHPNSISHZ-UHFFFAOYSA-N 315.413 4.597 30 20 DJED Cc1c(COc2ccccc2)cccc1N[C@@H]1CC[C@H](C#N)C1 442880651 ZFKXGUKTIKEGKO-FUHWJXTLSA-N 306.409 4.678 30 20 DJED Cc1ccc(CNCc2ccc(C#N)c(C)c2)c(OC(C)(C)C)c1 443996096 PGBGZUXVSZPGLU-UHFFFAOYSA-N 322.452 4.642 30 20 DJED CC[C@H](NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(C#N)cc1 447585946 LCLJMEYLBWSETC-PVAVHDDUSA-N 324.390 4.968 30 20 DJED C=CCC[C@H](NC(=O)N1CC(C)(C)[C@@H]1C1CC1)c1ccccc1 460390855 XEUUIGWMFKHPPB-ROUUACIJSA-N 312.457 4.524 30 20 DJED CO[C@H](CNc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 462893156 BYUZKLXOKNYACQ-MRXNPFEDSA-N 321.207 4.665 30 20 DJED CC(C)(C#N)CC(=O)Nc1cc(-c2ccccc2)ccc1Cl 471435635 JERIYXYDPOXOOM-UHFFFAOYSA-N 312.800 4.885 30 20 DJED CC(C)Cc1ccc([C@H](NCc2ccc(C#N)cc2)C2CC2)cc1 508077573 IJFPLBVUAURGJN-QFIPXVFZSA-N 318.464 4.998 30 20 DJED CC(C)[C@H]1CC[C@H](C(=O)N[C@H](CCC#N)c2ccccc2)CC1 510466068 UQMVLLKCYLTDAM-BHIYHBOVSA-N 312.457 4.610 30 20 DJED CSc1ccccc1CN1CC=C(c2ccc(C#N)cc2)CC1 511202110 XPOVIEMQZAZYDH-UHFFFAOYSA-N 320.461 4.569 30 20 DJED C=CCC(C)(C)c1noc(/C(C)=C\c2ccc(OC)c(F)c2)n1 551108938 HBFJAUKHFPRNAD-BENRWUELSA-N 316.376 4.632 30 20 DJED N#Cc1cccc(CN2CC[C@H](C(F)(F)F)c3ccccc32)c1 552085271 XKGOBCWWEXHZNC-INIZCTEOSA-N 316.326 4.614 30 20 DJED COc1nc(C)cc(C)c1CSCCCCC(C)(C)C#N 565974830 ZPCIPFVHDXDLTL-UHFFFAOYSA-N 306.475 4.660 30 20 DJED C[C@H]1C[C@H](c2ccccc2)C[C@H](NC(=O)CCCCCC#N)C1 591098916 BSNYTVXVNORRNF-YTQUADARSA-N 312.457 4.549 30 20 DJED CC[C@@H](C#N)C(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C 593450268 JXTGGJZNENPUMD-CVEARBPZSA-N 322.408 4.623 30 20 DJED CCOc1cccc2cc([C@@H](C)N[C@H](C#N)c3ccccc3)oc12 595433102 VRCLVQWTTKKWDF-RHSMWYFYSA-N 320.392 4.747 30 20 DJED CCN(C(=O)C1CCC2(CC1)CC2)c1ccc(C#N)c(Cl)c1 598820400 IFDIMBFJRCNOAF-UHFFFAOYSA-N 316.832 4.535 30 20 DJED CC1CCC(c2noc(-c3cc4ccccc4n3CC#N)n2)CC1 612911202 ZMVTUMQYNHSEAC-UHFFFAOYSA-N 320.396 4.509 30 20 DJED CCOc1cccc2cc(C(C)=NNc3cccc(OC)c3)oc12 725854937 GNDZMTXOSUXKQW-UHFFFAOYSA-N 324.380 4.676 30 20 DJED C#Cc1cccc(N(C(=S)Nc2cc(C)cc(C)c2)C(C)C)c1 728226939 QEEGCCKHHUFTTA-UHFFFAOYSA-N 322.477 4.897 30 20 DJED C#Cc1cccc(N(C)C(=O)c2oc3ccc(Cl)cc3c2C)c1 728482036 CPCHDVIDSIAUCK-UHFFFAOYSA-N 323.779 4.653 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC[C@@H]1CC1(Cl)Cl 731027926 CIWSCBGACVJTTE-QWRGUYRKSA-N 315.269 4.544 30 20 DJED Cc1cccc(C(=O)/C=C/C=C\c2ccccc2[N+](=O)[O-])c1C 734305405 SZMGEUWZKKSFLF-JHGLROMCSA-N 307.349 4.664 30 20 DJED COc1cccc2cc(/C=C3\Cc4cc(Cl)ccc4C3=O)oc12 742436390 BHXHRKCBEKPUPC-JLHYYAGUSA-N 324.763 4.917 30 20 DJED Cc1cc(/C=C\C(=O)c2ccsc2)ccc1Br 746391819 BGLGWVSBXDWKOU-HYXAFXHYSA-N 307.212 4.715 30 20 DJED N#Cc1cc(/C=C\C(=O)c2ccc3ccccc3c2)ccc1F 756265289 GJHFYMLHIYDYIQ-POHAHGRESA-N 301.320 4.747 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C/C(=C\C)CC 764591176 QMOQKNGFTHKSBK-FHQGNSKOSA-N 309.862 4.829 30 20 DJED C/C=C(/C=C\C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)CC 765437404 KGFZTCSEQFKTEM-ORNNYVHBSA-N 323.223 4.587 30 20 DJED C=CCC[C@H](C(=O)OCc1ncc(Cl)s1)c1ccccc1 778552822 QTERURFHENKJGS-ZDUSSCGKSA-N 321.829 4.590 30 20 DJED O=C1/C(=C/c2ccc3cnccc3c2)Cc2ccc(Cl)cc21 782350981 GVDMBMMZBSGNBC-LZYBPNLTSA-N 305.764 4.711 30 20 DJED CCC1(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)CCCC1 797572302 XHSAMQMNIFENMT-LBPRGKRZSA-N 304.459 4.587 30 20 DJED C#CCSc1nnc(SCc2ccc(C(C)C)cc2)s1 843295571 QZHHGANDCXGGQR-UHFFFAOYSA-N 320.508 4.679 30 20 DJED CCc1c(C(C)=NNc2cc(C)nc(C)n2)oc2ccc(C)cc12 915967302 HAVJJHTULIEZLQ-UHFFFAOYSA-N 322.412 4.547 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccc(C(C)C)c([N+](=O)[O-])c2)s1 917043697 MNCQKPVXKZZGMU-SOFGYWHQSA-N 315.394 4.984 30 20 DJED CCCCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CCC[C@H](C)C1 1129417702 WPLBEGXJDBPZCJ-WMLDXEAASA-N 316.420 4.518 30 20 DJED Cc1cccc(C2(CNc3ncc(C#N)cc3F)CCCCC2)c1 1162176848 MFBQRIWITKUJHN-UHFFFAOYSA-N 323.415 4.715 30 20 DJED C[C@H]1C[C@@H](CCNC(=O)Nc2cccc(C#N)c2)CC(C)(C)C1 1197550620 XQZXFRXXGOPEFW-LSDHHAIUSA-N 313.445 4.532 30 20 DJED Cc1c(C#N)cccc1C(=O)N1CCCCC[C@H]1c1ccccc1 1264865568 UQGXQIAPSJGPOX-FQEVSTJZSA-N 318.420 4.624 30 20 DJED C[C@H](OC(=O)CC1(C#N)CCCCC1)c1cc2ccccc2o1 1269516942 QSBYUKXBTQEXLT-AWEZNQCLSA-N 311.381 4.901 30 20 DJED Cc1ccc(CNc2ncccc2C#N)c(Oc2ccccc2)c1 1306995973 UPHXSVHPVLJBAB-UHFFFAOYSA-N 315.376 4.666 30 20 DJED Cc1ccc(C)c([C@@H]2CCCN2CCc2ccc(C#N)cc2)c1 1307580874 YJMYZSFGPZGGIM-NRFANRHFSA-N 304.437 4.555 30 20 DJED CCCCCCCCC(=O)N1CCC(Oc2ccccc2)CC1 1324072184 ILPJNOYFSWNZFH-UHFFFAOYSA-N 317.473 4.807 30 20 DJED CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1361170769 LESBEXNVYZABOC-BXUZGUMPSA-N 324.346 4.732 30 20 DJED C[C@H]1CCC[C@@H](C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1460571056 QIPQJRZBCIDABG-NWDGAFQWSA-N 304.459 4.682 30 20 DJED Cc1cccc(C2=CCN(c3ccc(Cl)c(C#N)n3)CC2)c1C 1472898598 CQWQLVZVUNRNHN-UHFFFAOYSA-N 323.827 4.517 30 20 DJED N#Cc1ccc(CSc2nc3ccc(F)cc3s2)c(F)c1 1473086025 USAGBAXZODVBSC-UHFFFAOYSA-N 318.373 4.738 30 20 DJED CC[C@H](Cc1ccccc1)N(CC)Cc1ccc(F)cc1C#N 1473270327 UYGNHRSFWDFJRX-HXUWFJFHSA-N 310.416 4.541 30 20 DJED CC(C)c1ccc(/C=C\CC(=O)Nc2cccc(CC#N)c2)cc1 1545049133 XNQBFWOWDKTPLJ-PLNGDYQASA-N 318.420 4.918 30 20 DJED Cc1nsc(NCC2(c3ccc(Cl)cc3)CCC2)c1C#N 1559093881 TUQVGIXMXOCJHZ-UHFFFAOYSA-N 317.845 4.510 30 20 DJED C[C@H](CN[C@H](C)CC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 1560762728 RUGOGDHXFFTKBS-CHWSQXEVSA-N 312.379 4.727 30 20 DJED CC(C)c1ccc(SCC(=O)O[C@H]2CCC[C@H](C#N)C2)cc1 1584703686 WJRJGNZAAVODGH-HOCLYGCPSA-N 317.454 4.528 30 20 DJED C[C@H]1Cc2cc(F)ccc2[C@@H](C)N1CCC1(C#N)CCCCC1 1616403566 SLTJTMCTOGAKHL-JKSUJKDBSA-N 314.448 4.997 30 20 DJED Cc1nc(N2C[C@H](c3ccccc3)c3ccccc32)ccc1C#N 1642645932 YTDZPJWAWSMFPF-LJQANCHMSA-N 311.388 4.545 30 20 DJED CCc1ccc([C@@H]2C[C@@H](C)CCN2CCc2ccc(C#N)cc2)o1 1644708287 WRWRGSLYQBOZED-JXFKEZNVSA-N 322.452 4.729 30 20 DJED Cc1nc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)ccc1C#N 1650752494 DHIAJVKOKBHRFS-DPZKZMLUSA-N 311.816 4.724 30 20 DJED N#Cc1sc(N2CCC[C@H]2CCC2CCCCC2)nc1Cl 1650868188 VQJBAJZGDSZKGX-ZDUSSCGKSA-N 323.893 4.997 30 20 DJED N#Cc1cccc(Br)c1N[C@H]1C[C@@H]1C1CCCCC1 1651577536 PXQXEUCMLBKEMC-HIFRSBDPSA-N 319.246 4.701 30 20 DJED Cc1cc(CN[C@H]2CCC[C@H](c3ccccc3)C2)ccc1C#N 1657312911 RSHFQLCDTWBOEL-FPOVZHCZSA-N 304.437 4.683 30 20 DJED C[C@H]1C[C@@H](c2ccccc2)CN1Cc1ccccc1C(C)(C)C#N 1657320598 IBBCDBMGDOMACM-FXAWDEMLSA-N 318.464 4.866 30 20 DJED N#Cc1ccc(N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)nc1 52454194 VZPUGORAVWAHFE-HNNXBMFYSA-N 318.207 4.602 30 20 DJED CC[C@H](C(=O)Nc1cccc(OCCCC#N)c1)c1ccccc1 55569111 CRYHYXAZHXGGFS-IBGZPJMESA-N 322.408 4.501 30 20 DJED CC(C)N(CCC#N)Cc1ccc(-c2ccccc2F)s1 64988359 LWEDDJLUKMRSAX-UHFFFAOYSA-N 302.418 4.678 30 20 DJED Cc1cccc(C)c1C(=O)Nc1ccccc1SC[C@@H](C)C#N 74950160 IVLGONNUUGIFKA-ZDUSSCGKSA-N 324.449 4.808 30 20 DJED Cc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c(F)c1 91208575 CYEXVSCRZJIZSG-UHFFFAOYSA-N 316.401 4.617 30 20 DJED CC(C)(C)CCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 121811918 RNDFMTNWJMPHDM-AWEZNQCLSA-N 312.438 4.813 30 20 DJED C=CCC(CC=C)C(=O)N1CCCCC[C@@H]1c1ccc(C)o1 150802902 AJDXOYOBYIOCBD-QGZVFWFLSA-N 301.430 4.800 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)CCC1CCC1 176576268 PWYMOLCNGJMOOI-CYBMUJFWSA-N 302.443 4.600 30 20 DJED N#Cc1csc(/C=C\C(=O)c2cc(Cl)sc2Cl)c1 255049214 ZHHGYNLZLMZJOL-UPHRSURJSA-N 314.218 4.884 30 20 DJED COc1ccccc1-c1ccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1 274629037 OMLMQHMZOWETFJ-FRQCXROJSA-N 320.436 4.705 30 20 DJED Cc1ccc(C(=O)/C=C/c2cc(C)c(OC(F)F)c(C)c2)o1 302916696 ZCIMNLVLNDFLMN-AATRIKPKSA-N 306.308 4.702 30 20 DJED C=C(C)COc1cccc(NC(=O)[C@H](C)c2cccc(F)c2)c1 304110233 YZXVKCPZSMRXAM-CQSZACIVSA-N 313.372 4.523 30 20 DJED C[C@H](CNCc1ccc(F)c(C(F)(F)F)c1)CC(F)(F)F 396901926 YXVQAKMMKBJAKR-QMMMGPOBSA-N 317.248 4.523 30 20 DJED Cc1ccccc1[C@@H](C)CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425119884 AETQOGDZKCRJJZ-IRXDYDNUSA-N 320.436 4.580 30 20 DJED N#CC[C@@H](CC(=O)Nc1cccc(C2CCC2)c1)c1ccccc1 462375280 KTXNFGNNDMTRFJ-IBGZPJMESA-N 318.420 4.980 30 20 DJED C=C[C@@H](C)NC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 464756805 KMDVTAQDHUTHJA-CVEARBPZSA-N 308.425 4.631 30 20 DJED C=CC[C@H](CC)NC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 466376468 ISVONWZZRHWQQH-QFBILLFUSA-N 312.457 4.593 30 20 DJED N#Cc1ccc(F)cc1CSCc1cc(-c2ccccc2)on1 468990728 OPNHWANKWFEIMJ-UHFFFAOYSA-N 324.380 4.786 30 20 DJED CC(C)Sc1ccccc1NCc1ccc(F)c(C#N)c1 471662211 AYXOKYBSGMWVND-UHFFFAOYSA-N 300.402 4.810 30 20 DJED C[C@H](Nc1ccc(Oc2ccccc2)c(C#N)c1)C1CCOCC1 474921116 AIBDWYCDUWIJMJ-HNNXBMFYSA-N 322.408 4.578 30 20 DJED CC(C)(C)c1ccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)s1 477865371 SQIBQENQCUZZKX-NSHDSACASA-N 324.405 4.677 30 20 DJED C[C@H](SCc1cccc(C#N)c1F)c1nc2ccccc2o1 481982549 HZHJNEVYLOPSHJ-NSHDSACASA-N 312.369 4.833 30 20 DJED C=CCSc1ccccc1C(=O)Nc1ccc(C)cc1F 485469920 QENBEZKFHAJMAL-UHFFFAOYSA-N 301.386 4.665 30 20 DJED C[C@@H](NC[C@@H]1CCCCC(F)(F)C1)c1ccc(C#N)cc1F 495016798 KJPKXYARHGSBBJ-TZMCWYRMSA-N 310.363 4.564 30 20 DJED C[C@@H](c1cccc(Br)c1)N1CCC(CCC#N)CC1 571519103 IRSCXPLYMMKMOA-ZDUSSCGKSA-N 321.262 4.526 30 20 DJED N#Cc1ccc2c(c1)[C@H](NCc1cc(Cl)sc1Cl)CC2 572387973 DLMXYFQMUQLQRI-CYBMUJFWSA-N 323.248 4.704 30 20 DJED CC(C)c1ccc2occ(C(=O)Nc3ccccc3CC#N)c2c1 574116726 GFMJTBFYKOIJTE-UHFFFAOYSA-N 318.376 4.875 30 20 DJED CCCCn1c(SCc2ccc(CC#N)cc2)nc(C)c1C 575020189 FIROVQSVKGUENU-UHFFFAOYSA-N 313.470 4.658 30 20 DJED CC[C@@H](NCCC1CC(OC(C)(C)C)C1)c1ccc(C#N)cc1 580514482 KVEITLKYQRETMA-NKELODKYSA-N 314.473 4.583 30 20 DJED Cc1cccc2[nH]c(CNc3cccc(OCCCC#N)c3)cc12 594924820 KEDVGBNDVMGOSL-UHFFFAOYSA-N 319.408 4.771 30 20 DJED FC(F)(F)CCNc1ccc(C(F)(F)C(F)(F)F)cc1 607149973 LSSPNYXXMJCBKT-UHFFFAOYSA-N 307.184 4.705 30 20 DJED C[C@@H](NCc1ccc(Cl)c(Cl)c1)c1cccc(C#N)c1 610344615 AMXUUXFJXZGJNU-LLVKDONJSA-N 305.208 4.716 30 20 DJED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1csc(Cl)c1 618804417 LFTZQBIKSKDPHQ-BMIGLBTASA-N 302.830 4.611 30 20 DJED N#Cc1cccc(CNc2cccc(Br)c2Cl)c1 619856010 AEVVIIHMZYYWIM-UHFFFAOYSA-N 321.605 4.586 30 20 DJED C=CCC1(C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)CCC1 682865838 JZXYBSLKPSSWFO-QGZVFWFLSA-N 322.452 4.620 30 20 DJED N#Cc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1Cl 726433372 DXBANOJVKQSCGF-UHFFFAOYSA-N 322.220 4.674 30 20 DJED Fc1cccc(F)c1-c1ccc(C=NOCc2ccccc2)o1 734365863 VXGOHBVGSCEVIF-UHFFFAOYSA-N 313.303 4.776 30 20 DJED C#Cc1cccc(N(C(=O)C[C@@H](C)c2cccc(F)c2)C(C)C)c1 734770702 AACUTQYASJJVRS-MRXNPFEDSA-N 323.411 4.742 30 20 DJED FC(F)(F)c1csc(NN=C2CCC[C@@H](C3CC3)C2)n1 755905049 RSFGONSIOVYFKS-SECBINFHSA-N 303.353 4.530 30 20 DJED C=C[C@H](CC(=O)O[C@@H](C)c1cccc(C#N)c1)c1ccccc1 759307917 YXUQMVIJOGTMPO-DOTOQJQBSA-N 305.377 4.522 30 20 DJED CCCCCCCCC(=O)N[C@@H]1CCOC2(CCCCC2)C1 768373557 FNWQGGNHAIGSKJ-QGZVFWFLSA-N 309.494 4.735 30 20 DJED CCCCCOc1ccc(/C=C/C(=O)c2cncs2)cc1 787171148 HUDGXCFWYQSTIJ-JXMROGBWSA-N 301.411 4.608 30 20 DJED C=CCC[C@H](Nc1ccc(OC)c(OCC)c1)c1ccco1 796864368 ALBJGXRNSPDAIN-HNNXBMFYSA-N 301.386 4.806 30 20 DJED Cc1ccc(C)c(C(=O)/C=C/c2c(C)nc3sc(C)cn23)c1 797109700 NNBZBHVRJYELSN-BQYQJAHWSA-N 310.422 4.526 30 20 DJED CCCCC[C@H](NCCCC1(C#N)CCOCC1)C(C)(C)C 799158954 CANVRSXTVLQUEA-KRWDZBQOSA-N 308.510 4.672 30 20 DJED N#CCCCCCC(=O)OCc1c(Cl)ccc(F)c1Cl 806012327 JGVPVZQNWYAFNS-UHFFFAOYSA-N 318.175 4.650 30 20 DJED FC(F)(F)COc1ccc(NN=C2CC[C@H]2C2CCC2)cc1 814830317 GYNRYRNFAFQECX-AWEZNQCLSA-N 312.335 4.606 30 20 DJED CC(C)[C@H]1CC[C@H](C(=O)[C@H](C#N)c2nc(C3CC3)cs2)CC1 842941576 RFWBAGKOPGTZJH-QEJZJMRPSA-N 316.470 4.659 30 20 DJED CC(=NNc1ccc(C(F)(F)F)cn1)c1ccc(C)c(C)c1 915917473 CXLJDQXCFSATKM-UHFFFAOYSA-N 307.319 4.553 30 20 DJED CC1(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 1125536740 QPSBOTFXFNUSRJ-UHFFFAOYSA-N 320.392 4.869 30 20 DJED CCc1ccc([C@@H](C)C(=O)Nc2ccc(Cl)cc2C#N)cc1 1131137878 SUBNBZAPBQXQQD-GFCCVEGCSA-N 312.800 4.516 30 20 DJED CC(C)O[C@H](CN(C)[C@H](C)c1cccc(C#N)c1)c1ccccc1 1171399191 AKTUMQRHUPEWHW-DYESRHJHSA-N 322.452 4.717 30 20 DJED COC(=O)c1cccc(CSC2CCC(C)(C)CC2)c1C#N 1189138115 CBWLISWGEYETCO-UHFFFAOYSA-N 317.454 4.547 30 20 DJED Cc1ccccc1SC[C@H](C)CN1CCCC(C)(C)[C@H]1C#N 1194101483 MITFIMLBLFWKMF-CRAIPNDOSA-N 316.514 4.737 30 20 DJED CSc1ccccc1C(=O)/C=C/c1scnc1C1CC1 1256574707 CNWFXUFFKTZPMW-CMDGGOBGSA-N 301.436 4.639 30 20 DJED CCC[C@H](CC)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1264129611 SJYNWUHTYXHJHA-NEPJUHHUSA-N 304.459 4.509 30 20 DJED C[C@@H]1C[C@@H]1c1ccc(CN(Cc2cccc(F)c2C#N)C2CC2)o1 1308651917 YYDNHARJWBZKDN-DYVFJYSZSA-N 324.399 4.578 30 20 DJED CCCCN(C(=O)c1csc(C#N)c1)[C@@H](C)c1ccc(C)o1 1325517489 ITMJYIUDOOFVIE-ZDUSSCGKSA-N 316.426 4.525 30 20 DJED CCCC[C@@H](C(=O)N(Cc1ccc(C#N)cc1)C(C)C)C(C)C 1349998318 ARZWFZFFNFSHBO-LJQANCHMSA-N 314.473 4.758 30 20 DJED CCc1c(C)sc(NC(=O)C2(C3CCCCC3)CC2)c1C#N 1361138086 OVYXNNVTQMTOFJ-UHFFFAOYSA-N 316.470 4.790 30 20 DJED C[C@H](CC(C)(C)c1ccccc1)Nc1nc(Cl)c(C#N)s1 1458140128 KUXROKGDEOQIJT-LLVKDONJSA-N 319.861 4.836 30 20 DJED Cc1cc(C#N)ccc1CN(CCc1ccc(F)cc1)CC(C)C 1473128318 IRHOOKYDVYBQHE-UHFFFAOYSA-N 324.443 4.707 30 20 DJED CCc1c(C)sc(NC(=O)[C@@H]2CCCC[C@@H]2CC)c1C#N 1529661719 LKHAIDHLACLCFK-GXTWGEPZSA-N 304.459 4.646 30 20 DJED CC(C)[C@@H](c1ccccc1)N(C)C(=O)CC1(C#N)CCCCC1 1537812085 JUDZWJQFVZREIR-IBGZPJMESA-N 312.457 4.706 30 20 DJED C[C@@H]1C[C@@H]1[C@H](Nc1c(C#N)cccc1C#N)c1ccc(Cl)cc1 1559105167 JHFDUHRMFHFILU-JLBUNGTFSA-N 321.811 4.893 30 20 DJED Cc1cc(C#N)ccc1CSc1ncc(-c2ccccc2)[nH]1 1613467346 VZPZJXYTSIAVPR-UHFFFAOYSA-N 305.406 4.549 30 20 DJED C[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)[C@@H](c2ccco2)C1 1615647521 BLKWLTVSSUWYCT-CXAGYDPISA-N 314.816 4.778 30 20 DJED CC(C)c1cc(N[C@@H](C)c2ccc(C#N)cc2)nc(C(C)C)n1 1639349882 ZHPKALFAPOOOSK-AWEZNQCLSA-N 308.429 4.768 30 20 DJED N#Cc1cccc(CN2CC3(CCCC3)[C@H]2c2ccccc2)c1 1643333092 XJMDBIDYSIBJSK-HXUWFJFHSA-N 302.421 4.676 30 20 DJED CC(C)c1ccc2c(c1)[C@@H](NCc1ccc(C#N)cc1F)CCC2 1650897654 DVSFGPYHWOXDJV-NRFANRHFSA-N 322.427 4.988 30 20 DJED N#Cc1cccnc1N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 1651939850 QUGXLYRBYPWNDT-WMLDXEAASA-N 311.816 4.745 30 20 DJED COc1cc(C#N)ccc1CN[C@H](CCC(C)C)C(C)(C)C 1653899992 PUFPYQWDPIHCPH-GOSISDBHSA-N 302.462 4.507 30 20 DJED C[C@@H](c1ccc(Cl)cc1Cl)N(C)c1ncc(C#N)cc1F 1654952108 CIURUHMEFKFPAW-VIFPVBQESA-N 324.186 4.597 30 20 DJED CC(C)(C)[C@H]1Cc2ccccc2N(Cc2cccc(C#N)c2)C1 1655320248 JCGJHNKWKNXOLT-IBGZPJMESA-N 304.437 4.783 30 20 DJED CCN(CCC1(C#N)CCCCC1)Cc1c(F)cccc1F 1657154478 QYZFYTRUUMEHHM-UHFFFAOYSA-N 306.400 4.651 30 20 DJED Cc1ccc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1Cl 1658899434 QPHNCOXYDLTFPP-AZUAARDMSA-N 324.855 4.920 30 20 DJED N#Cc1cccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1 21006933 WCNYQTNSMJOEPC-UHFFFAOYSA-N 313.360 4.554 30 20 DJED N#CCOc1cccc(NCc2c(Cl)cccc2Cl)c1 37069588 SQSCABRUSCDYHL-UHFFFAOYSA-N 307.180 4.508 30 20 DJED Cc1occc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 55428653 XIKMOACZOYBVHW-UHFFFAOYSA-N 318.332 4.504 30 20 DJED O=C(/C=C/c1csc(-c2ccc(F)cc2)n1)c1ccccc1 71813537 RYEUFEBNGIDIRN-ZHACJKMWSA-N 309.365 4.845 30 20 DJED CCOc1cccc2cc(C(=O)/C=C/c3ccc(OC)cc3)oc12 83201532 RREQMQWLEULHPU-FMIVXFBMSA-N 322.360 4.736 30 20 DJED C[C@H](c1ccco1)N(Cc1cccc(OCCCC#N)c1)C1CC1 92483603 VQZAQFDNHJXMNU-MRXNPFEDSA-N 324.424 4.688 30 20 DJED C[C@@H]1C/C(=C/c2c(Cl)nc(Cl)n2C)C(=O)c2ccccc21 131150865 KFZXFCOLTWVKKS-URLRMUCDSA-N 321.207 4.500 30 20 DJED CCO[C@H](C)c1nc(CSCCCC(C)(C)C#N)cs1 161830679 XVDPWSVCPMTKDZ-GFCCVEGCSA-N 312.504 4.804 30 20 DJED Cc1nc(CNc2ccc(C#N)cc2)oc1-c1ccc(Cl)cc1 163628040 CFDGSWPCNLPTRI-UHFFFAOYSA-N 323.783 4.787 30 20 DJED C[C@H](NCc1ccc(C#N)cc1F)c1ccc(C(F)(F)F)cc1 171982753 OQKGHHCCJGPTDG-NSHDSACASA-N 322.305 4.567 30 20 DJED C[C@H](Nc1ccc(OCC2CC2)cc1)c1ccc(OCC#N)cc1 181901393 BYJCBOMYPYTKFA-HNNXBMFYSA-N 322.408 4.551 30 20 DJED N#CCCCCN[C@H]1CCCc2cc(SC(F)F)ccc21 182812645 QECVDAVMLWPFGS-HNNXBMFYSA-N 310.413 4.662 30 20 DJED C=CC1CCN(C(=O)Nc2ccc(OC(C)C)cc2Cl)CC1 187231976 MNMSJGQULJJEPB-UHFFFAOYSA-N 322.836 4.557 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C 187920347 LBDAWTHNHNBZFE-IBGZPJMESA-N 316.445 4.520 30 20 DJED Cc1ccc(C(=O)/C=C\c2cccc(OCCCC#N)c2)cc1C 207618272 JUXGFYVGRLORMB-LUAWRHEFSA-N 319.404 4.882 30 20 DJED N#C[C@]1(C(=O)Nc2cc(C(F)F)ccc2Cl)CC12CCCC2 296599893 SRBANOWZLZTUTO-INIZCTEOSA-N 324.758 4.690 30 20 DJED CC(C)(C)c1nnc(C/N=C(/O)CCC2CCCCC2)s1 329819344 GDARFSNVJKHPIS-UHFFFAOYSA-N 309.479 4.653 30 20 DJED CCC[C@H](/N=C(/O)c1cc(O)nc(C2CC2)c1)C1CCCCC1 329940702 BVEARQKZEZLCLY-INIZCTEOSA-N 316.445 4.718 30 20 DJED N#Cc1nnc2ccccc2c1Oc1ccc(C2CC2)cc1Cl 432175077 VOSFQUKKIBWNKI-UHFFFAOYSA-N 321.767 4.825 30 20 DJED CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 437576061 FEOOYWZNWKQIBP-WBMJQRKESA-N 319.836 4.644 30 20 DJED CCc1cc(C#N)c(NC(=O)c2ccc(C)c(Cl)c2F)s1 448195729 FODWHRQZBFITCJ-UHFFFAOYSA-N 322.792 4.535 30 20 DJED C[C@H](C(=O)Nc1sc(-c2ccccc2)cc1C#N)C(C)(F)F 460023225 LTOGGBWVIDWVRK-SNVBAGLBSA-N 320.364 4.517 30 20 DJED CC(C)(C#N)CCCN1CCC(=Cc2ccccc2F)CC1 464874821 KGCWXNFRVIUDEK-UHFFFAOYSA-N 300.421 4.635 30 20 DJED C=CC[C@@H](CC)NC(=O)N(CC)[C@H](C)c1cc2ccccc2o1 466326925 VMUUKEWJBDDPFV-GDBMZVCRSA-N 314.429 4.880 30 20 DJED N#C[C@@H]1CC[C@@H](N[C@@H](c2ccc(Cl)cc2)C2CCCC2)C1 467359596 ONSTVAJOXMNQKH-FSPWUOQZSA-N 302.849 4.853 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(F)c(F)c1 471136261 IQEBTTOAMJLXSR-UHFFFAOYSA-N 316.351 4.575 30 20 DJED Cc1ccc2[nH]c(CN[C@H](C)c3ccc(C#N)cc3)cc2c1C 472047538 KTNWMADBODGTCG-OAHLLOKOSA-N 303.409 4.507 30 20 DJED CCC[C@@]1(C)CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 476230327 ZAFMZEOODGGBKW-QUCCMNQESA-N 312.457 4.503 30 20 DJED CC(C)CC[C@@H]1CCCN1C(=O)C[C@H](CC#N)c1ccccc1 476372452 GMJGSPFAQSYQSZ-OALUTQOASA-N 312.457 4.501 30 20 DJED CCCN(CC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 477708811 BUHDATOUVPMJMG-UHFFFAOYSA-N 323.396 4.614 30 20 DJED Cc1cccc(COc2ccc([C@@H](C)NCC3(C#N)CC3)cc2)c1 538391805 VIRRZPWIGXJDRO-QGZVFWFLSA-N 320.436 4.528 30 20 DJED CCSc1ccc(Cl)cc1NCc1ccc(C#N)s1 539921311 QWFYLJSMYIXLPP-UHFFFAOYSA-N 308.859 4.997 30 20 DJED C[C@H](NC[C@]1(C)C[C@H]1c1ccccc1)c1ccc(C#N)c(F)c1 559881098 UKQNEAOFBVVUDV-DCPHZVHLSA-N 308.400 4.542 30 20 DJED CCCN(C(=O)CC1CCCC1)c1cc(Cl)ccc1C#N 609286227 OMFKHGQFGPNSNO-UHFFFAOYSA-N 304.821 4.535 30 20 DJED C=C(C)CN(C)C(=O)c1cc2cc(C(F)(F)F)ccc2s1 613305304 QVYSLYKJDHICJA-UHFFFAOYSA-N 313.344 4.568 30 20 DJED C#Cc1cccc(N(CC)C(=O)C[C@H](CC)c2ccccc2)c1 728824930 VNSPNEMBXNYXMX-SFHVURJKSA-N 305.421 4.605 30 20 DJED CC(=NNc1cc(F)c(F)cc1F)c1nc2ccccc2s1 734302058 XRXMPRFUGFYECK-UHFFFAOYSA-N 321.327 4.550 30 20 DJED Fc1cccc(F)c1NN=Cc1ccc(Cl)cc1Cl 735615587 TWVWJINBPCXSLI-UHFFFAOYSA-N 301.123 4.718 30 20 DJED CC(C)Oc1ccc(CNc2nc3ccccc3cc2C#N)cc1 750016030 YSMCQXRQRNPPIU-UHFFFAOYSA-N 317.392 4.506 30 20 DJED CCCCCCCCCN(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] 751104842 ZBDNJRSDGBHUJF-UHFFFAOYSA-N 324.396 4.557 30 20 DJED CC(C)[C@@H](NCc1cc(C#N)ccc1F)c1cc2ccccc2o1 775421652 IOQOUMKXLJOQFP-HXUWFJFHSA-N 322.383 4.930 30 20 DJED CC(C)Oc1ccc([C@@H]2CCCC2=NOCC(F)(F)F)cc1 776777980 XBRMWTODXMNUTF-AWEZNQCLSA-N 315.335 4.676 30 20 DJED C=CCC[C@H](CCC)Nc1ccc(OCc2noc(C)n2)cc1 777686122 MERFHLWPFMPTAY-HNNXBMFYSA-N 315.417 4.504 30 20 DJED C=CC[C@H](C(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccccc1 777711792 XRCVPVOYUKAEDU-BEFAXECRSA-N 305.377 4.522 30 20 DJED CCC(Cc1cccs1)=NNc1ncnc(Cl)c1C(C)C 797403816 AFGJKDZLPRKEIS-UHFFFAOYSA-N 322.865 4.736 30 20 DJED CC1(C#N)CCC(Nc2ccc(OCC(F)(F)F)cc2)CC1 823495692 WFDHTFLSAZCYDQ-UHFFFAOYSA-N 312.335 4.512 30 20 DJED CCCCCCCCCC(=O)N1CC2(CCOCC2)C[C@H]1C 843722312 RNUYLUHZBPJSPM-QGZVFWFLSA-N 309.494 4.545 30 20 DJED CC(=NNc1ccc(C(C)C)cc1)c1ccc(C(F)F)nc1 853356082 OCOWFHIQFIOLQE-UHFFFAOYSA-N 303.356 4.979 30 20 DJED C=CCC[C@H](Nc1ccc(N(C)C(=O)CC)cc1)c1ccco1 883314536 JBKQWGGFQYZLHX-KRWDZBQOSA-N 312.413 4.772 30 20 DJED CCCOc1ccc(/C=C\C(=O)c2ccc(C)cc2)cc1OC 916134322 MGTLZPOOMGLFFQ-XFFZJAGNSA-N 310.393 4.689 30 20 DJED CCCCCCCCC(=O)Nc1cc(C#N)ccc1OCC 919895431 GVSKTBXVJUTGBQ-UHFFFAOYSA-N 302.418 4.646 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 1128304412 JRUQJKOYJZNQPJ-HOTGVXAUSA-N 306.494 4.770 30 20 DJED Cc1ccc(N(CCC#N)C(=O)C(CC(C)C)CC(C)C)cc1 1142835616 OSTASXYHUFTUPP-UHFFFAOYSA-N 314.473 4.950 30 20 DJED CC(C)CCOc1ccc(Nc2c(C#N)cccc2C#N)cc1 1162613374 VICFLXAWHAVYFF-UHFFFAOYSA-N 305.381 4.598 30 20 DJED CC(C)(C)CCCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1265486964 GAFZJRYAAOEMSQ-UHFFFAOYSA-N 312.335 4.732 30 20 DJED CC(C)CCN(CCC(C)C)C(=O)Nc1ccc(F)c(C#N)c1 1310250558 YDKPSZRNAIHYQS-UHFFFAOYSA-N 319.424 4.623 30 20 DJED N#Cc1nc(N[C@@H](c2ccc(F)cc2)C2CCC2)ccc1Cl 1458174310 VZKSTDZHNSNYPM-QGZVFWFLSA-N 315.779 4.699 30 20 DJED C[C@H](OC(=O)c1ccc(Cl)cc1Cl)c1ccc(C#N)cc1 1515124036 JAQSIPDZBYAFSB-JTQLQIEISA-N 320.175 4.783 30 20 DJED Cc1ccnc(Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n1 1559079271 QAJSVIILCXCPCK-UHFFFAOYSA-N 316.364 4.501 30 20 DJED C[C@H]1CCCC[C@H]1CCNc1ccc(C#N)c(Br)c1 1559107183 SZLXZBRSMZIXJH-STQMWFEESA-N 321.262 4.949 30 20 DJED Cc1cccc(CN(Cc2ccco2)c2cccc(F)c2C#N)c1 1559139917 PZLXGLYEINGHFK-UHFFFAOYSA-N 320.367 4.806 30 20 DJED COc1cc(CN2CC(C)(C)C[C@H]2c2ccccc2)ccc1C#N 1560898425 JTZIJOGIHLLBRG-IBGZPJMESA-N 320.436 4.540 30 20 DJED Cc1cc(C#N)cc(NC(=O)N(C)c2cccc3ccccc23)c1 1562939348 GBBBNGZBXVPGSV-UHFFFAOYSA-N 315.376 4.688 30 20 DJED Cc1cc(SCC(=O)c2ccc(F)c(Cl)c2)ccc1C#N 1614553031 OERLSPHXNXLKMK-UHFFFAOYSA-N 319.788 4.634 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 1645409548 GDTZOOCHAPLWKW-KNXBSLHKSA-N 314.432 4.940 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cccc2ccoc12 1651788563 LMIGBTKCUNVVTJ-WOJBJXKFSA-N 316.404 4.705 30 20 DJED C[C@H](NCCc1ccc(C#N)cc1)[C@H](C)c1ccc(Cl)cc1 1652811650 JFHAFIDKPKUSAI-GJZGRUSLSA-N 312.844 4.536 30 20 DJED Cc1ccc(CC2CCN(Cc3ccc(C#N)cc3C)CC2)cc1 1652982937 SECBMAMYTYBWKD-UHFFFAOYSA-N 318.464 4.630 30 20 DJED CCc1ccc([C@@H]2CCCN([C@@H](C#N)c3ccccc3)C2)cc1 1654379875 QGRJJHZPGULFCB-RTWAWAEBSA-N 304.437 4.693 30 20 DJED CC[C@@H](Nc1ncc(Cl)c(C)c1C#N)c1ccc(C)c(F)c1 1655324826 YFQGDFXRIRYBBD-MRXNPFEDSA-N 317.795 4.926 30 20 DJED COc1ccc(CNc2cccc(OCCC(C)C)c2)cc1C#N 1655432805 RLLMBKKYMUGLJH-UHFFFAOYSA-N 324.424 4.604 30 20 DJED Cc1cc(CN2CCC[C@@]2(C)Cc2ccc(F)cc2)ccc1C#N 1659485577 ZNCQVWVSOPVOBE-NRFANRHFSA-N 322.427 4.603 30 20 DJED C[C@H](CCC#N)CNc1cccc(OCCc2ccccc2)c1 1659598684 KALBFMHJIDUKNA-QGZVFWFLSA-N 308.425 4.660 30 20 DJED C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 1672795039 WIZAKZNGUBFJAG-NHYWBVRUSA-N 319.836 4.548 30 20 DJED CC(C)(C)[C@@H]1CCCC(=NNc2ccccc2C(=O)O)CC1 1776030295 JEBURPARWDNWDN-CYBMUJFWSA-N 302.418 4.779 30 20 DJED CC(=NNc1cccc(C(=O)O)c1C)c1ccc(C2CCC2)cc1 1776088911 QIQTXUREGJMTAA-UHFFFAOYSA-N 322.408 4.797 30 20 DJED Cc1cc(C)cc(-c2nnc(SCc3ccccc3C#N)o2)c1 7381571 UHIGEUMZQUBTAU-UHFFFAOYSA-N 321.405 4.517 30 20 DJED CCC[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N 27092172 CAKYRMDBVYRHRA-CQSZACIVSA-N 324.449 4.628 30 20 DJED CCN(C(=O)c1cccc(CC#N)c1)c1cccc2ccccc12 49683039 AJJBPBCENKWUBL-UHFFFAOYSA-N 314.388 4.573 30 20 DJED CC(C)(C)c1ncc(/C=C/C(=O)c2ccc(F)cc2F)s1 78162018 IGERGYKDKWSCQV-FNORWQNLSA-N 307.365 4.615 30 20 DJED CC(C)c1ccccc1NC(=O)c1cccc(SCC#N)c1 79381108 DPFFVLLKNDNWDE-UHFFFAOYSA-N 310.422 4.678 30 20 DJED Cc1ccc(Oc2ccc(NC(=O)N(C)[C@@H](C)CC#N)cc2)cc1 86280908 COJGNRCFFCORCS-HNNXBMFYSA-N 323.396 4.553 30 20 DJED O=C1/C(=C\c2ccc(Br)s2)CCc2ccccc21 96766587 WYKMHHRRLCPPIW-LUAWRHEFSA-N 319.223 4.723 30 20 DJED CC(C)c1nc2cc(N[C@H](C)c3ccc(C#N)cc3)ccc2o1 97393830 NAWIJICDWONNSL-CYBMUJFWSA-N 305.381 4.996 30 20 DJED COc1c(Cl)cccc1NCc1ccccc1C(C)(C)C#N 131605101 WBYRECMXDZCEML-UHFFFAOYSA-N 314.816 4.762 30 20 DJED C=C[C@@H](CC(=O)Nc1cncc(Cl)c1Cl)c1ccccc1 180121202 NSEXXMARJDTFHY-NSHDSACASA-N 321.207 4.687 30 20 DJED Cc1cccc(NC2CCN([C@@H](C)c3cccc(C#N)c3)CC2)c1 187699560 CUIDQCZSRWTQIH-KRWDZBQOSA-N 319.452 4.504 30 20 DJED COc1cc(C(C)=O)ccc1S[C@H](C)c1cccc(C#N)c1 189865083 VIPRKSWPULIZTQ-CYBMUJFWSA-N 311.406 4.623 30 20 DJED COc1ccc(C)cc1[C@H](C)Nc1cccc(OCCCC#N)c1 193906248 KVBGXESOBSABGJ-INIZCTEOSA-N 324.424 4.859 30 20 DJED Cc1ccc(O)c([C@H](C)Nc2cccc(OCCCC#N)c2)c1 193907411 HQVYYHGPDNNIMX-HNNXBMFYSA-N 310.397 4.556 30 20 DJED Cc1cc(C(=O)/C=C\c2ccc(OC(F)F)cc2)c(C)s1 210383609 YESJQTKPDOFIGP-YVMONPNESA-N 308.349 4.862 30 20 DJED Cc1ccsc1C(=O)Nc1sc(C(C)(C)C)cc1C#N 297770804 MRLPGPFSLOBNOO-UHFFFAOYSA-N 304.440 4.540 30 20 DJED Cc1ncsc1N=C(O)c1cccc(OC2CCCCC2)c1 329606639 ZXCOBZFGGBFMLB-UHFFFAOYSA-N 316.426 4.799 30 20 DJED CC1(C)C(O)=Nc2ccc(/C(O)=N/[C@@H]3CCCc4occc43)cc21 330213459 KZARKYJWQXCBLA-CQSZACIVSA-N 324.380 4.541 30 20 DJED N#CCc1ccc(CN[C@@H](CC(F)(F)F)c2ccccc2)cc1 343702052 YADSFLAIVZKGEO-KRWDZBQOSA-N 318.342 4.536 30 20 DJED CC1(C)CCCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1C#N 434019330 YCMLXJHJSZJOFT-LJQANCHMSA-N 318.420 4.508 30 20 DJED COc1ccc2cc([C@@H](C)Sc3ccc(C#N)cn3)ccc2c1 439280387 ZGFRDTBCTZWJMC-CYBMUJFWSA-N 320.417 4.968 30 20 DJED N#CCSCCCN1CCCCC[C@H]1/C=C/c1ccccc1 441174069 CODAGMLMVPOCSZ-CVTTXWKISA-N 314.498 4.591 30 20 DJED N#Cc1c(Cl)cccc1N[C@H]1CCO[C@H](c2ccccc2)C1 450447485 VZMZGEOGQCTLQN-KSSFIOAISA-N 312.800 4.544 30 20 DJED N#CC[C@@H]1CC[C@H](N[C@H](CC2CC2)c2ccc(Cl)cc2)C1 453289778 IXCBMMXWKGZWJQ-JCGIZDLHSA-N 302.849 4.853 30 20 DJED N#C[C@H]1CCC[C@@H](NCCc2cccc(-c3ccccc3)c2)C1 463240029 HPEXBXSSDXQMMU-GHTZIAJQSA-N 304.437 4.568 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(CCC(F)(F)F)cc1 467366559 PNQMEOGHPLVKJN-UHFFFAOYSA-N 311.347 4.888 30 20 DJED N#C[C@@H](C(=O)c1ccc2sccc2c1)c1nc2ccccc2o1 472389911 TXHHGDFLRIKCSC-ZDUSSCGKSA-N 318.357 4.533 30 20 DJED CSCc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1 475597632 WPNAMLWANREWGD-UHFFFAOYSA-N 324.449 4.603 30 20 DJED C=CCCC1(C(=O)Nc2ccc(CCC(F)(F)F)cc2)CC1 476270961 HVMDGRRFOYTHGV-UHFFFAOYSA-N 311.347 4.866 30 20 DJED C=C[C@@](C)(CC)C(=O)N1CC=C(c2cccc(Cl)c2)CC1 477367744 SDGCMXLITDJFES-SFHVURJKSA-N 303.833 4.558 30 20 DJED C=CCC1(C(=O)N2CCC(=Cc3ccccc3F)CC2)CCC1 479157811 LRTAIVAWBPSQDK-UHFFFAOYSA-N 313.416 4.578 30 20 DJED CC1(C)CCC[C@@H]1C(=O)N(Cc1ccco1)c1ccccc1C#N 483987019 OASNJIAFXOTUGM-QGZVFWFLSA-N 322.408 4.511 30 20 DJED C=C(C)CN(CC)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 494866172 WLQJOOUFQGELFC-UHFFFAOYSA-N 305.180 4.562 30 20 DJED COc1cc(C#N)ccc1CNc1ccccc1SC(C)C 500875321 JKVNABKXMJKWKX-UHFFFAOYSA-N 312.438 4.679 30 20 DJED CCN(Cc1ccccc1OC(C)C)[C@H](C)c1ccc(C#N)cc1 519051684 QACZLDOZXXBRKA-QGZVFWFLSA-N 322.452 4.929 30 20 DJED CC(C)COc1ccc(C(C)(C)NCCCC(C)(C)C#N)cc1 537115443 XPSAYCXOCCXYTH-UHFFFAOYSA-N 316.489 4.876 30 20 DJED C=CC1CCN(C(=O)Nc2ncc(C3CCCCC3)s2)CC1 542963981 HCQIELSMXULUMQ-UHFFFAOYSA-N 319.474 4.621 30 20 DJED CC(C)(C)CCCCC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 553468687 NZWJZPRWJHFORP-UHFFFAOYSA-N 324.468 4.780 30 20 DJED CC(C)(C1=CCCCC1)c1noc(CCc2ccc(C#N)cc2)n1 559906705 WXEWWFKDRKSPGK-UHFFFAOYSA-N 321.424 4.504 30 20 DJED Cc1csc(NC(=O)CCCc2ccc(Cl)cc2)c1C#N 564188569 HASKUTONFOMEQM-UHFFFAOYSA-N 318.829 4.543 30 20 DJED CC(C)(C#N)c1ccc(C(=O)Nc2cccc(F)c2Cl)cc1 575363860 CNCTYFSFENICIX-UHFFFAOYSA-N 316.763 4.533 30 20 DJED C=CCC1(c2nc(-c3ccccc3COC(C)C)no2)CCC1 578798900 LPRXPVMNQYSWAG-UHFFFAOYSA-N 312.413 4.659 30 20 DJED CCC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(OC)cc1 610829746 IGIZXQWVFPCHOP-MGPUTAFESA-N 308.425 4.759 30 20 DJED C=CCn1c([C@H](C)CC)nnc1N1CCC[C@@H]1c1ccc(C)cc1 685552024 GHSZYENYXWSWKU-SJLPKXTDSA-N 324.472 4.628 30 20 DJED COc1ccc(N=Cc2cc(Cl)cc(Cl)c2O)c(C)c1 727061196 HNQAZEOJKCQUTJ-UHFFFAOYSA-N 310.180 4.767 30 20 DJED Cc1cc(F)ccc1/C=C/C(=O)c1ccccc1OC(F)F 728694948 NVLWLKIWWBLZNG-VQHVLOKHSA-N 306.283 4.632 30 20 DJED CC[C@H](CC(=O)N(CCC#N)c1ccc(C)cc1)c1ccccc1 728862779 LCKBFCDKOCQUAS-GOSISDBHSA-N 320.436 4.826 30 20 DJED CCc1cccc2c(/C=C3\Cc4cc(F)ccc4C3=O)c[nH]c12 734304971 CSNBNIRTZDCWBM-NTEUORMPSA-N 305.352 4.692 30 20 DJED Fc1ccc(C(F)(F)F)cc1C=NNc1c(F)cccc1F 735615274 MKFXSVLXGZEBHQ-UHFFFAOYSA-N 318.220 4.569 30 20 DJED O=C1/C(=C/c2nccc3ccccc23)Cc2cc(Cl)ccc21 742436370 AYZVBQASHGFVMI-SDNWHVSQSA-N 305.764 4.711 30 20 DJED O=C(/C=C\c1ccc(F)c(C(F)(F)F)c1)c1ccsc1 755592283 YTKOLSCUQATHJM-RQOWECAXSA-N 300.276 4.802 30 20 DJED CC(=NNc1ccc2ccccc2n1)c1csc(C(C)C)n1 768764646 VXEQQCNSMHJRCR-UHFFFAOYSA-N 310.426 4.651 30 20 DJED CCc1cnccc1C(=O)/C=C/c1cccc(-c2ccccn2)c1 776191254 FXXHHFCMKDPVOA-MDZDMXLPSA-N 314.388 4.602 30 20 DJED O=C1/C(=C/c2ccc(SC(F)F)cc2)Cc2cc(O)ccc21 780188922 RUXPHRRPQDUNEE-KPKJPENVSA-N 318.344 4.529 30 20 DJED C#CCCCCCC(=O)Nc1ccc(Oc2ccncc2)c(C)c1 785503239 KLXBANKAHZTYLY-UHFFFAOYSA-N 322.408 4.705 30 20 DJED Cc1c(C(=O)/C=C\c2ccccc2C2CC2)cnn1C(C)(C)C 787187180 YOTCWWXJVVPISA-QXMHVHEDSA-N 308.425 4.720 30 20 DJED CC[C@@H](C)CCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 796810670 LFRFLOMDEQODJC-UKRRQHHQSA-N 312.438 4.813 30 20 DJED CC(CCc1ccsc1)=NNc1ncnc(Cl)c1C(C)C 797404788 TZXORNWXORRGKV-UHFFFAOYSA-N 322.865 4.736 30 20 DJED Cc1oc(C#N)cc1C(=O)Nc1ccc(-c2ccccc2)cc1F 797826680 ZFJONFDQOOWTAU-UHFFFAOYSA-N 320.323 4.518 30 20 DJED CC(C)Sc1ccc(Cl)cc1NC(=O)c1ccc(C#N)o1 814113025 FNFGPMIGAILOST-UHFFFAOYSA-N 320.801 4.557 30 20 DJED C#Cc1cccc(NC(=O)N[C@@H](CC)c2ccc(Cl)cc2)c1 915339963 VVQDKMSJYGHRHT-KRWDZBQOSA-N 312.800 4.594 30 20 DJED Fc1ccc2c(c1)C(=NNc1ccc3ccccc3n1)CCS2 916286493 INHCBBDNFRVDDY-UHFFFAOYSA-N 323.396 4.686 30 20 DJED O=C(/C=C/c1ccc(-c2ccccc2F)o1)c1cccc(O)c1 917041417 YFOVUJLGJZJYSF-CSKARUKUSA-N 308.308 4.687 30 20 DJED CCCCCCCC(=O)O[C@H](C)C(=O)Nc1cc(C)ccc1C 919222274 TUSXMEAXXJLCCV-MRXNPFEDSA-N 319.445 4.534 30 20 DJED CCCOc1ccc2c(c1)C(=O)/C(=C\c1ccc(C)s1)CO2 920068901 FCJGCLJCNKOPAY-LCYFTJDESA-N 314.406 4.504 30 20 DJED C/C(=C\Cl)CSc1ccc(C#N)c(Br)c1 1163191122 IGXLZRLRJQPPOR-VMPITWQZSA-N 302.624 4.555 30 20 DJED Cc1ccccc1C1CCN(Cc2ccc(C#N)cc2Cl)CC1 1193224274 JYDMGOAQMVQAFL-UHFFFAOYSA-N 324.855 4.900 30 20 DJED C[C@H]1CC[C@@H](C)CN1C(=O)Nc1scc(C(C)(C)C)c1C#N 1205529053 XYRZKNFGHSDQNS-NEPJUHHUSA-N 319.474 4.570 30 20 DJED C[C@H]1CCc2ccccc2[C@H]1Nc1nc(C(C)(C)C)ccc1C#N 1307083683 KHZRMUKFMIMZJG-LIRRHRJNSA-N 319.452 4.986 30 20 DJED C[C@H]1CCN(Cc2ccc(C#N)s2)c2ccccc2S1 1307538019 AIVDGYWNLRYXNT-LBPRGKRZSA-N 300.452 4.511 30 20 DJED N#Cc1cc(F)ccc1CN1CCCCc2c(Cl)cccc21 1307665336 VFECPMJTFJJRQT-UHFFFAOYSA-N 314.791 4.694 30 20 DJED Cc1cccc([C@H](NC(=O)c2ccc(F)c(C#N)c2)C(C)(C)C)c1 1351236174 GZSWGGOJNPMTJN-SFHVURJKSA-N 324.399 4.523 30 20 DJED CCCC[C@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C(C)C 1436968699 MZWOLRPRCXXESG-YJBOKZPZSA-N 300.446 4.540 30 20 DJED CC(C)(C#N)CCCN1C[C@H](c2ccccc2)c2ccccc21 1460035432 UCOPTFRHACOFAJ-LJQANCHMSA-N 304.437 4.968 30 20 DJED C[C@H](OC(=O)[C@@]1(C#N)CC12CCCC2)c1cc(Cl)ccc1F 1521004812 QHSPGNKEHFSTKY-GTNSWQLSSA-N 321.779 4.557 30 20 DJED CC(C)(C)c1csc(NC(=O)c2cc(Cl)cs2)c1C#N 1527545350 DEPKQNOFXKBYNY-UHFFFAOYSA-N 324.858 4.884 30 20 DJED CCCN(C(=O)c1cc(C#N)ccc1C)c1ccc(Cl)cc1 1531456302 VZMKYFPXWAULHO-UHFFFAOYSA-N 312.800 4.577 30 20 DJED C[C@@H]1c2c(sc(NC(=O)C3(F)CCCC3)c2C#N)CC[C@H]1C 1534584483 SMMPBFUMTJTXPQ-MNOVXSKESA-N 320.433 4.526 30 20 DJED CCC(C#N)(CC)C(=O)N1CCc2c(-c3ccccc3)cccc21 1538013685 HZBSYSZLMMBOOU-UHFFFAOYSA-N 318.420 4.573 30 20 DJED Cc1ccnc(NC[C@H]2CCCC[C@H]2c2ccccc2)c1C#N 1559190523 UCGHEIVLCCLDRU-MSOLQXFVSA-N 305.425 4.648 30 20 DJED N#CCC1(CSc2nc3c(n2-c2ccccc2)CCCC3)CC1 1640735489 VOVHPTQGVROMOA-UHFFFAOYSA-N 323.465 4.537 30 20 DJED Cc1cc(SCc2ccc(Br)cc2)ccc1C#N 1644029809 XJNYRJOITMXRHO-UHFFFAOYSA-N 318.239 4.922 30 20 DJED CCC(C)(C)c1ccc(CNCc2ccc(C#N)c(C)c2)cc1 1650821829 PLJJIIOIAFQIBI-UHFFFAOYSA-N 306.453 4.844 30 20 DJED CC(C)Oc1ccccc1COc1nc(C(C)(C)C)ccc1C#N 1652056314 YYASTCHHFVEJIT-UHFFFAOYSA-N 324.424 4.617 30 20 DJED CCCC1CCC(N(C)C(=O)Nc2ccc(F)cc2C#N)CC1 1675090766 QGQWLCLJUVTWHZ-UHFFFAOYSA-N 317.408 4.520 30 20 DJED CC(=NNc1ccc(C(C)C)cc1)[C@@H]1C[C@H](CC(=O)O)C1(C)C 1776060540 ZCURFCRDLUFLLW-WBVHZDCISA-N 316.445 4.735 30 20 DJED Cc1c(NN=C2CCCCC23CCCC3)cccc1C(=O)O 1776088292 CQHFEYUQMWPXEF-UHFFFAOYSA-N 300.402 4.596 30 20 DJED Cc1ccc(-c2nc(COc3ccc(C#N)cc3Cl)co2)cc1 22976639 LCYOUZUDEHQCEO-UHFFFAOYSA-N 324.767 4.754 30 20 DJED CCc1ccc(CCC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 25438586 QAESDUSULWBPJV-UHFFFAOYSA-N 320.436 4.621 30 20 DJED C=CCC[C@H](CCC)N[C@@H](C)c1nc(-c2ccncc2)cs1 90045942 JABUNKUWPWELBE-HOCLYGCPSA-N 315.486 4.991 30 20 DJED C[C@@H](C(=O)Nc1cc(C(C)(C)C)sc1C#N)c1ccsc1 91208092 QMONYQRIEMMARD-SNVBAGLBSA-N 318.467 4.721 30 20 DJED C=C[C@H](CC(=O)Nc1cccc(C(F)F)c1)c1ccccc1 125301658 CDKWOXFHHCHQHL-CYBMUJFWSA-N 301.336 4.923 30 20 DJED C=C[C@H](CC(=O)N(C)[C@@H](C)c1ccc(OC)cc1)c1ccccc1 129171420 AAMAMYUXAUXGRK-DLBZAZTESA-N 323.436 4.575 30 20 DJED Cc1ccc(-c2nc3ccccc3n2C[C@H](C#N)CCC#N)s1 153037865 MSWKRMPPRZVQMY-AWEZNQCLSA-N 320.421 4.517 30 20 DJED Cc1cc(SC(C)(C)C)ccc1NC(=O)C1(C#N)CCCC1 158182299 KZCVZAQOBGSDGF-UHFFFAOYSA-N 316.470 4.908 30 20 DJED CCc1cc2c(N[C@@H](CCC#N)c3ccccc3)ncnc2s1 164335841 STNXGHMSWWWSRY-INIZCTEOSA-N 322.437 4.711 30 20 DJED CC(C)c1ccc([C@@H](NC(=O)NCCCCC#N)C(C)C)cc1 170887206 OZKIFXBPXXNQLZ-SFHVURJKSA-N 315.461 4.500 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCCOc1ccccc1 178391275 AIDSLGVYMODAGH-HNNXBMFYSA-N 312.438 4.572 30 20 DJED Cc1cc([C@@H](C)Nc2cccc(OCCCC#N)c2)cs1 294278769 SNLZGMZBBILWGD-CQSZACIVSA-N 300.427 4.912 30 20 DJED CCCCCCCCCC(=O)NC1CCN(C(C)(C)C)CC1 302937218 GROWJVODTNEFIN-UHFFFAOYSA-N 310.526 4.506 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C/c3ccc(F)c(C)c3)c2c1 303592656 IDVFLWARJHYBNY-XBXARRHUSA-N 309.340 4.520 30 20 DJED CCc1ccc([C@@H](C)Nc2nc(C(F)(F)F)ccc2C#N)cc1 321648989 JJWQVZRJLWJFTI-LLVKDONJSA-N 319.330 4.708 30 20 DJED CCOC1(C(O)=Nc2cccc(NC3CCCC3)c2)CCCC1 329409729 CTDCUMBKVBSIPX-UHFFFAOYSA-N 316.445 4.978 30 20 DJED C[C@@H](NCC(C)(C)CCC#N)[C@@H]1C[C@H]1c1ccc(Cl)s1 367896143 ADVRTGJEIXJKQK-FRRDWIJNSA-N 310.894 4.813 30 20 DJED CCSc1nnc(SCCC2(C#N)CCCCC2)s1 412983344 NBILTUQSFVOCID-UHFFFAOYSA-N 313.517 4.606 30 20 DJED C[C@H](NCc1csc(Cl)c1Cl)c1ccc(C#N)cc1 432242415 ZUMMDOBNKZUNOA-VIFPVBQESA-N 311.237 4.777 30 20 DJED C=CCC[C@H](NC(=O)Nc1ccccc1OC)c1ccccc1 435140289 HHOPIOMDRWELNR-INIZCTEOSA-N 310.397 4.524 30 20 DJED CC(C)(C#N)CCCCSc1nccn1Cc1ccccc1 436112432 FEICNANCYFQXNZ-UHFFFAOYSA-N 313.470 4.744 30 20 DJED N#CCC[C@@H](NC(=O)Nc1ccc2ccoc2c1)c1ccccc1 443372732 BOAYVZGWHKTTHR-QGZVFWFLSA-N 319.364 4.599 30 20 DJED CC#CCCCC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 464656595 YQMRDDQEZXHUDF-IBGZPJMESA-N 311.469 4.841 30 20 DJED C[C@H](NC[C@@H](c1ccccc1)C1CC1)c1ccc(C#N)cc1F 517722276 YVGNYVXEIYSCSH-LIRRHRJNSA-N 308.400 4.542 30 20 DJED N#Cc1ccc(C[S@@](=O)c2ccc(C3CCCCC3)cc2)cc1 530864265 FWUIAWQILGYWRT-HSZRJFAPSA-N 323.461 4.914 30 20 DJED N#Cc1cccc(N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)n1 534395697 RXZRYIOGTBBHQX-HNNXBMFYSA-N 318.207 4.602 30 20 DJED N#CCSCCCN[C@H](c1cccc(Cl)c1)C1CCCC1 540428395 VATYFLGFXOVUQB-KRWDZBQOSA-N 322.905 4.808 30 20 DJED COc1c(C)cnc(CS[C@H](C)c2ccc(C#N)cc2)c1C 540725028 MQYBLALFYXFTHD-CQSZACIVSA-N 312.438 4.573 30 20 DJED C=CCCCCCN[C@H](c1cncc(Br)c1)C1CC1 551418206 LOHFDXLSPZBOPO-INIZCTEOSA-N 323.278 4.631 30 20 DJED C[C@H](NC1(c2ccc(Cl)cc2)CCC1)c1ccc(C#N)cc1 551813249 FAEUJMYWSZVLNV-AWEZNQCLSA-N 310.828 4.942 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCC[C@@H](C(F)(F)F)C1 557517896 SJOFKMHILLLFKV-VYDXJSESSA-N 322.374 4.646 30 20 DJED CC[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 560260695 XRCQNBGBGWDYKV-GOSISDBHSA-N 310.828 4.942 30 20 DJED C[C@@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H](C)S1 562469139 NRYGZQCNLAKJMY-HZPDHXFCSA-N 322.477 4.551 30 20 DJED N#CC1(C(=O)Nc2cccc(-c3ccccc3)c2)CCCCC1 565381048 MEOMGEXKPRCXBP-UHFFFAOYSA-N 304.393 4.766 30 20 DJED N#Cc1ccc2c(c1)[C@H](Nc1cccc(-c3nccs3)c1)CC2 568406903 PZBIXVXOBDESAF-GOSISDBHSA-N 317.417 4.781 30 20 DJED CC(C)(C#N)CCSCc1cc(F)ccc1Br 569254373 KHAMQDNHZIYZBA-UHFFFAOYSA-N 316.239 4.761 30 20 DJED Cc1ccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1C 611093230 MSMSUVAPHKOIKX-UHFFFAOYSA-N 319.191 4.734 30 20 DJED C=CCN(CC=C)Cc1csc(-c2ccc(Cl)cc2)n1 612911323 KSNHDZWLHDMDFW-UHFFFAOYSA-N 304.846 4.638 30 20 DJED CCCCCCCCCCC(=O)Nc1nc2c(s1)COCC2 727719366 KPVSCEVYJVDYFC-UHFFFAOYSA-N 324.490 4.685 30 20 DJED Oc1c(Cl)cc(Cl)cc1/C=N/[C@H]1CSc2ccccc21 735414982 OZYYWXHFLNSDTB-VXSOZLBZSA-N 324.232 4.965 30 20 DJED C=CCN(C(=O)N[C@@H](C)c1cccc(Cl)c1Cl)C(C)C 735584028 CSVRKYKUDBOSDE-NSHDSACASA-N 315.244 4.660 30 20 DJED C=CCc1cc(/C=C\C(=O)c2ccc(C)cc2C)cc(OC)c1O 747063199 DVOGBVBTAAJRIS-NTMALXAHSA-N 322.404 4.642 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2ccc(F)c(C(F)(F)F)c2)cc1 755569744 LQFSHWRWYANLJJ-XBXARRHUSA-N 319.257 4.612 30 20 DJED O=C(/C=C/c1cc(F)cc(F)c1)c1cccc(-c2ccncc2)c1 755600264 HLIUOWATUMVQNS-SNAWJCMRSA-N 321.326 4.923 30 20 DJED Cc1cccc(C)c1/C=C/C(=O)c1c(Cl)nc2sccn12 755601540 PJQPYWNZXQBATR-VOTSOKGWSA-N 316.813 4.562 30 20 DJED C=CC[C@@H](N[C@@H](C)c1ccccc1OC(F)F)c1ccncc1 766019348 LVIPDSFATPECJK-XJKSGUPXSA-N 318.367 4.651 30 20 DJED CC(C)Oc1ccc(CON=Cc2cccs2)cc1Cl 777587834 NFOJTJQGCZTXEG-UHFFFAOYSA-N 309.818 4.739 30 20 DJED C[C@@H](C#N)Oc1ccccc1NC(=O)C(C)(C)C1CCCCC1 780152926 UPNNYFNOJOYHOY-AWEZNQCLSA-N 314.429 4.522 30 20 DJED CCC1(C=NNc2ccc(Cl)cc2Cl)CCOCC1 781117635 DXOYBNUDOLHDTE-UHFFFAOYSA-N 301.217 4.598 30 20 DJED Cc1c(C(=O)/C=C/c2scnc2C2CC2)oc2ccccc12 782315732 YFOLHTFNCHCZRN-CMDGGOBGSA-N 309.390 4.971 30 20 DJED CC(CC(C)(C)c1c[nH]c2ccccc12)=NNc1cccc(F)n1 795009868 MXWUMQOLUMLTIS-UHFFFAOYSA-N 324.403 4.858 30 20 DJED CC(C)[C@@H](Cc1ccccc1)NN=C1CCC(C(F)F)CC1 799485819 WGUNSXSSTGPAKK-OMOCHNIRSA-N 308.416 4.655 30 20 DJED C[C@@H](c1cc2ccccc2o1)N(C)c1nc(Cl)c(C#N)s1 804342063 UHKPLSODNLHWQT-VIFPVBQESA-N 317.801 4.612 30 20 DJED N#Cc1c(SC/C=C\Cl)nc2c(c1-c1ccco1)CCC2 808957980 WLNWNPHODDZTFF-CLTKARDFSA-N 316.813 4.547 30 20 DJED Cc1cc(F)ccc1NN=Cc1cscc1C(F)(F)F 811645591 SOSDUXRUDKGJOB-UHFFFAOYSA-N 302.296 4.660 30 20 DJED C#Cc1cccc(NC(=S)N(c2ccc(CC)cc2)C(C)C)c1 811704251 YUZOMZVKNNWOEI-UHFFFAOYSA-N 322.477 4.842 30 20 DJED COCc1ccccc1/C=C(C)/C=C\C(=O)c1ccc(C#N)s1 814191028 YECWDVPDCWDXHV-SKIMZWBYSA-N 323.417 4.609 30 20 DJED Cc1c(C=NNCCC(F)(F)F)sc2c(Cl)cccc12 814920279 IBPYVWAQUHFRSX-UHFFFAOYSA-N 320.767 4.739 30 20 DJED CCCCCCCC(=O)N(C)Cc1ccccc1N1CCCC1 914880279 SEZJWJAFAOXXIB-UHFFFAOYSA-N 316.489 4.606 30 20 DJED CC(=NNc1cccc(C(F)(F)F)c1)c1nc(C)sc1C 916259632 AWBALOFOXXUIMV-UHFFFAOYSA-N 313.348 4.615 30 20 DJED CCc1ccc(N(CC)C(=O)c2cccc(SCC#N)c2)cc1 1124948749 AUBRLXHUUFAKDI-UHFFFAOYSA-N 324.449 4.531 30 20 DJED CCC[C@H](CC(C)C)C(=O)Nc1cc(C#N)cn1C(C)(C)C 1125264038 VSQUWNFGKQVSAP-OAHLLOKOSA-N 303.450 4.516 30 20 DJED CC(C)Cc1cccc([C@@H](C)C(=O)N(C)c2ccc(C#N)cc2)c1 1126426237 UQNSDSAFDUKCPA-MRXNPFEDSA-N 320.436 4.523 30 20 DJED N#CC1(CC(=O)Nc2ccc3c4c(cccc24)CC3)CCCCC1 1181363250 QZDKJBKMYJLDOR-UHFFFAOYSA-N 318.420 4.741 30 20 DJED CSc1ccc(NC[C@H](C)CCC#N)cc1Br 1206720474 IHLBZNSQKPAAOB-SNVBAGLBSA-N 313.264 4.523 30 20 DJED CCC(C#N)(CC)C(=O)N1CCCc2cc(C(C)(C)C)ccc21 1435573892 IHGXZQJAQYIKAL-UHFFFAOYSA-N 312.457 4.593 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)c3ccsc3)c2C#N)[C@H](C)C1 1436485217 UHHLBMVDVZGUAS-VHSXEESVSA-N 316.451 4.619 30 20 DJED Cc1cc(N[C@H](c2ccc(F)cc2)C2CCCC2)ncc1C#N 1458169832 XWPSQMHIUFUFJW-IBGZPJMESA-N 309.388 4.744 30 20 DJED CCCn1c(S[C@H](C)CCC#N)nc2cc(Cl)ccc21 1458823291 GOBAJXHMKIJSEL-LLVKDONJSA-N 307.850 4.884 30 20 DJED Cc1cc(C(C)(C)C)cc(C)c1CCNc1ncccc1C#N 1472642609 YFSNOFTUSHUNGQ-UHFFFAOYSA-N 307.441 4.522 30 20 DJED C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1)c1cccc(C#N)c1 1516882570 RKOWVKXBHSVLSK-JTQLQIEISA-N 320.175 4.783 30 20 DJED CCN(C(=O)c1csc(C#N)c1)[C@@H](C)c1cc2ccccc2o1 1526668253 DCAMOKNYGRUWGW-LBPRGKRZSA-N 324.405 4.589 30 20 DJED CCc1ccc(CCN2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 1559555180 TZRWZNQJZBFQDU-YADHBBJMSA-N 318.464 4.563 30 20 DJED Cc1cc(CN2CCC[C@@H]2CCCc2ccccc2)ccc1C#N 1560630291 SLTZUYSBCNLRJQ-QFIPXVFZSA-N 318.464 4.854 30 20 DJED CCC[C@@H](NCCc1ccc(C#N)cc1)c1ccc(F)cc1F 1616630309 QIBSSKORTDEHSM-LJQANCHMSA-N 314.379 4.510 30 20 DJED CC(C)CC1(CNc2c(Br)cccc2C#N)CC1 1655266891 MGDFZZFGGRYCOH-UHFFFAOYSA-N 307.235 4.559 30 20 DJED CCc1nc2ccc(Nc3ncc(C#N)cc3Cl)cc2s1 1655607357 PAASFIZMWZDZTP-UHFFFAOYSA-N 314.801 4.522 30 20 DJED COc1cc(C#N)ccc1CS[C@H]1CCCc2ccccc21 1656240447 UGXZPGGZIFYUDY-IBGZPJMESA-N 309.434 4.878 30 20 DJED CC(CCCCc1ccccc1)=NNc1cccc(C(=O)O)c1C 1776089423 QWVMFCGYKMTOBK-UHFFFAOYSA-N 324.424 4.894 30 20 DJED N#Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Cl 7804194 JERXSUZGQXLWNN-UHFFFAOYSA-N 306.752 4.617 30 20 DJED N#CCCSc1ccccc1NC(=O)C1CCCCCC1 108201791 DPTCKGCZHBGNSE-UHFFFAOYSA-N 302.443 4.601 30 20 DJED Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 161135738 RZYICPWZZYHNON-HOTGVXAUSA-N 324.449 4.600 30 20 DJED COc1ccccc1/C=C/C(=O)c1ccc(N2CCCCC2)cc1 164449806 QBTMKVZAFFUDHC-SDNWHVSQSA-N 321.420 4.582 30 20 DJED N#CCCSc1ccccc1NCc1ccccc1Cl 170983002 ARAFSLVDYYEYGO-UHFFFAOYSA-N 302.830 4.958 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCc1ccc(Cl)nc1 178391655 WOFNZNNLZLPHFD-GFCCVEGCSA-N 317.845 4.741 30 20 DJED C=C[C@H](CC(=O)N1CCC[C@@H]1c1cccc(F)c1)c1ccccc1 179032992 CKHMHVOOUOCFLP-OXQOHEQNSA-N 323.411 4.849 30 20 DJED C=CCN(CC=C)C(=O)Nc1ccccc1SC(F)(F)F 193666246 MBYYRYWQAVRPJS-UHFFFAOYSA-N 316.348 4.504 30 20 DJED C[C@H](c1ccccc1Cl)N(C)Cc1ccc(F)c(C#N)c1 229748880 NZQOYOXLZVWMIU-GFCCVEGCSA-N 302.780 4.544 30 20 DJED C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2coc3ccccc23)cc1 255128691 KZHLDTNVGCEUOH-MSKHEQNASA-N 317.344 4.620 30 20 DJED N#CC1CCC(C/N=C(/O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 328722633 RZCFLSRTAYYWAJ-NUUXYWTLSA-N 302.462 4.879 30 20 DJED N#Cc1cccc(CNc2ccc(Oc3ccccc3)cc2)c1 390423352 PLYCPWGRSJIPDI-UHFFFAOYSA-N 300.361 4.963 30 20 DJED C=CCC[C@H](NC(=O)N(CCC)CC1CC1)c1ccccc1 435759867 JNINGZGPEVDVBY-SFHVURJKSA-N 300.446 4.526 30 20 DJED CC(C)CCc1noc(CSCCCCC(C)(C)C#N)n1 435886587 ZIAYWKYSHLQJBA-UHFFFAOYSA-N 309.479 4.611 30 20 DJED C=CCC[C@@H](NC(=O)C1CCC1)c1ccc(C(F)(F)F)cc1 441590974 OARZYTPYUOKQRT-OAHLLOKOSA-N 311.347 4.629 30 20 DJED C[C@@H](CNCc1ccc(C#N)s1)c1ccc(C(F)(F)F)cc1 442989864 HHRCBZQOBFEOMZ-NSHDSACASA-N 324.371 4.532 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 467944024 SCWGXSZKKXCZKN-AWEZNQCLSA-N 302.201 4.543 30 20 DJED C[C@@H](Cc1ccc(C(F)(F)F)cc1)Nc1ccc(CC#N)cc1 468476711 WTOFYIWMPXQNOG-ZDUSSCGKSA-N 318.342 4.815 30 20 DJED CC(C)(C#N)CCCN(Cc1ccc(C(F)(F)F)cc1)C1CC1 472445443 FEFTWUMSQPOOHD-UHFFFAOYSA-N 324.390 5.000 30 20 DJED C=CCCCCCS[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 485588791 KNOMSEDJYZDYHD-OAHLLOKOSA-N 319.470 4.696 30 20 DJED COc1ccccc1-c1ccc(/C=C/c2ncccc2C#N)cc1 486055852 TWIRMSDWHOKKRR-JLHYYAGUSA-N 312.372 4.799 30 20 DJED C=C[C@H]1CCCCN1C(=O)c1oc2c(Cl)cccc2c1C 488838654 LQOCHKFFLZYSHZ-LBPRGKRZSA-N 303.789 4.575 30 20 DJED C=CC1CCN(C(=O)Nc2ccc(-c3ccco3)cc2F)CC1 490485611 DUAFGAUSJOVNJM-UHFFFAOYSA-N 314.360 4.516 30 20 DJED CC[C@@H](CC#N)N[C@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 517755053 LYJWMZCHXNTJNE-DOMZBBRYSA-N 317.820 4.646 30 20 DJED CCC(C#N)(CC)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl 528605387 GQUXLIRWPXQBRJ-JTQLQIEISA-N 313.228 4.501 30 20 DJED C[C@H](c1ccc(C#N)cc1)N(C)Cc1ccc(Cl)c(F)c1 535682506 YOOWJUPTAVHOAT-GFCCVEGCSA-N 302.780 4.544 30 20 DJED C=C[C@@H](CC(=O)Nc1nc(-c2ccco2)cs1)c1ccccc1 536187578 WYRLTZDZNLBIHO-ZDUSSCGKSA-N 324.405 4.702 30 20 DJED C[C@H](Nc1ccc(-n2cccn2)c(Cl)c1)c1ccc(C#N)cc1 537532792 CAKYTNYJSRQTNV-ZDUSSCGKSA-N 322.799 4.570 30 20 DJED N#CC[C@@H](CC(=O)Nc1cccc(F)c1Cl)c1ccccc1 563297737 JJWHLCOUBUFTRB-ZDUSSCGKSA-N 316.763 4.505 30 20 DJED C=CCC[C@@H](C(=O)Nc1cc(C2CC2)ccn1)c1ccccc1 563794198 NBQMAKLMYPMKLZ-GOSISDBHSA-N 306.409 4.648 30 20 DJED N#Cc1c(F)cccc1SCc1ccc(OC(F)F)cc1 565988861 HJNQDWNQAXSWPO-UHFFFAOYSA-N 309.312 4.591 30 20 DJED C[C@@H](Cc1ccsc1)N[C@H](C)c1ccc(C#N)cc1Cl 570235635 LIOBDEUFTHICLX-NWDGAFQWSA-N 304.846 4.555 30 20 DJED CC(C)n1ncc2ccc(N[C@@H]3CCc4ccc(C#N)cc43)cc21 577905930 SOGXQYLHIVVCQR-LJQANCHMSA-N 316.408 4.588 30 20 DJED C=CCN(C(=O)[C@H](C)CSc1ccccc1)c1ccccc1 599492587 JSVQQJMQDSZBQQ-MRXNPFEDSA-N 311.450 4.634 30 20 DJED C=CCCCCCN(C)C(=O)c1cc(F)c(Cl)cc1Cl 606816440 XSFRFPLJICQPHO-UHFFFAOYSA-N 318.219 4.951 30 20 DJED CCc1ccc([C@H](C)C(=O)N(CCC#N)CC(CC)CC)cc1 609188632 PRGUPOYBNWSMSO-INIZCTEOSA-N 314.473 4.531 30 20 DJED CCCC[C@H](CC)CC(=O)N(Cc1ccc(C#N)cc1)C(C)C 609754396 STCNTMDTUCWYJW-KRWDZBQOSA-N 314.473 4.902 30 20 DJED N#Cc1ccc(CN[C@H]2CCSc3ccccc32)cc1Cl 619754650 GQYGMIIPTCGYTB-INIZCTEOSA-N 314.841 4.538 30 20 DJED C=CCN(Cc1csc(-c2ccccc2OC)n1)C(C)(C)C 661754921 HGHQRYGCTSWLPD-UHFFFAOYSA-N 316.470 4.605 30 20 DJED C[C@@H](NN=Cc1csc(-c2cccs2)n1)c1ccccc1 728429978 UORAXDZJIIZUBJ-GFCCVEGCSA-N 313.451 4.556 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)Nc1cccc(OCC#N)c1 733919855 DCYSFOFTJCWZAA-MRXNPFEDSA-N 314.429 4.524 30 20 DJED CC(C)Oc1ccc(C(=O)/C=C/c2nccc3ccccc23)cc1 740764830 HQKKGXICWANCCW-VAWYXSNFSA-N 317.388 4.918 30 20 DJED C[C@H]1/C(=C/c2cccs2)C(=O)c2cccc(Br)c21 742434272 DPTFVTZWOZRIJZ-RILYUOAZSA-N 319.223 4.894 30 20 DJED C#CCCCNC(=O)Nc1ccc(Sc2ccccc2)cc1C 743124681 QSXJZBGDUAEXOU-UHFFFAOYSA-N 324.449 4.681 30 20 DJED C(=NNc1cccc2cnccc12)c1cccc(-c2ccccn2)c1 747751013 GXIFFXMEIXXKAG-UHFFFAOYSA-N 324.387 4.743 30 20 DJED CC(C)c1ncc(/C=C2/CSc3ccc(F)cc3C2=O)s1 758426799 NPJSGDRPCFDKSD-YHYXMXQVSA-N 319.426 4.778 30 20 DJED CCCCCCCC(=O)Nc1cc(-c2ncco2)ccc1C 759870774 MKWGZCKJUIYGBA-UHFFFAOYSA-N 300.402 4.949 30 20 DJED COc1c(Cl)cc(NCCCC(C)(C)C#N)cc1Cl 762799621 ZMRLOYLZBCKYIX-UHFFFAOYSA-N 301.217 4.744 30 20 DJED CCCCCCC[C@H](C)N[C@H](C)c1ccc([S@@](C)=O)cc1 768513241 HBCGVGPSKMRYRP-GCKMJXCFSA-N 309.519 4.824 30 20 DJED C#CCCCCC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 773384671 LAFWLRIPSRIKJL-KRWDZBQOSA-N 321.420 4.959 30 20 DJED CC(C)(C#N)CCCOC(=O)C1(c2cccc(Cl)c2)CCC1 782254224 WERWWMFKVAZXEX-UHFFFAOYSA-N 319.832 4.635 30 20 DJED Cc1cccc(-c2cncc(C(=O)OCCCC(C)(C)C#N)c2)c1 784248074 WRPWNTKKGSVZDN-UHFFFAOYSA-N 322.408 4.544 30 20 DJED C[C@H](Nc1ccccc1O[C@H](C)C#N)[C@@H]1C[C@H]1c1cccs1 841754367 PQCDPFHOBGHSKL-CBBWQLFWSA-N 312.438 4.643 30 20 DJED Cc1ccc(N(CC(C)C)C(=O)c2cccc(CC#N)c2)c(C)c1 844665797 RSKWGJSAYZZMRH-UHFFFAOYSA-N 320.436 4.672 30 20 DJED CC(=NNc1ccc(C#N)cc1)c1ccc(Cl)cc1Cl 915962405 LAADEDLVAJDPII-UHFFFAOYSA-N 304.180 4.701 30 20 DJED CCCCOc1ccc(/C=C\C(=O)c2ccccc2)cc1OC 916134287 ILKOHVKDJFWFOL-BENRWUELSA-N 310.393 4.770 30 20 DJED CCc1cccc2c(/C=C/C(=O)c3ccc(OC)c(F)c3)c[nH]c12 917613866 SQJPDFIQJDKAIP-VQHVLOKHSA-N 323.367 4.774 30 20 DJED CC(C)c1ccc2c(c1)CCCN2C(=O)[C@]1(C#N)CC12CCCC2 1124987119 JGXZRNZTYBVCSO-OAQYLSRUSA-N 322.452 4.563 30 20 DJED CC[C@@H](CC(C)C)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 1354306083 SJCHGBGDUXTAPE-IBGZPJMESA-N 314.473 4.615 30 20 DJED CC[C@@H](CC(=O)Nc1cc(C#N)ccc1C)c1ccc(C)cc1 1355073605 FDKFNYXEMRYKLV-KRWDZBQOSA-N 306.409 4.698 30 20 DJED CC1(C)CCc2ccccc2[C@H](NCc2cccc(C#N)c2)C1 1460006657 PQPCGZSZBQPCNI-HXUWFJFHSA-N 304.437 4.752 30 20 DJED CC[C@H](Sc1ccc(C#N)c(C)c1)C(=O)Nc1ccc(C)cc1 1473048896 FUDTYDZRNRNIKB-SFHVURJKSA-N 324.449 4.685 30 20 DJED CC(C)(C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1ccc2ccccc2c1 1525049013 PWZRZSOHZIUQFX-HNAYVOBHSA-N 321.420 4.743 30 20 DJED CC[C@@H](c1ccccc1)N(CC)C(=O)CC1(C#N)CCCCC1 1526144609 PLTDMRNYXMMHRA-SFHVURJKSA-N 312.457 4.850 30 20 DJED Cc1c(Cl)cc(NC(=O)c2ccc(F)c(C#N)c2)cc1Cl 1527142219 FEVZZSFRGWZBSE-UHFFFAOYSA-N 323.154 4.565 30 20 DJED C[C@H](CC1CCCC1)C(=O)N(c1ccc(C#N)cc1)C1CCC1 1533786098 AARBDASQXAMHFI-OAHLLOKOSA-N 310.441 4.660 30 20 DJED CCCC1(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)CC1 1544390621 KSTQTRIWANBDLG-NWDGAFQWSA-N 316.470 4.824 30 20 DJED Cc1cc(N[C@@H](Cc2ccccc2)c2ccccc2)ncc1C#N 1559063787 LQGIYTSQBICXNV-FQEVSTJZSA-N 313.404 4.658 30 20 DJED N#Cc1c(F)cccc1N(CCC(F)(F)F)Cc1ccccc1 1559184474 JHACPSFXMIRIMQ-UHFFFAOYSA-N 322.305 4.656 30 20 DJED CCc1nc(Oc2cc(C)c(C#N)c(C)c2C)c2ccsc2n1 1559185788 FNUYSKPFDRQCHT-UHFFFAOYSA-N 323.421 4.843 30 20 DJED CCCn1c(S[C@H]2CC[C@@H](C#N)C2)nc2cc(Cl)ccc21 1559329049 XQMTUOQWCCNAOZ-YPMHNXCESA-N 319.861 4.884 30 20 DJED Cc1cc2cc(C(=O)Nc3ccc(Cl)cc3C#N)oc2cc1C 1586199784 LAGMXETYZLHTSJ-UHFFFAOYSA-N 324.767 4.827 30 20 DJED C[C@H]1CC(C(=O)Nc2cc3ccccc3cc2C#N)C[C@H](C)C1 1597220987 IRGPIRHLKSAQOZ-ZIAGYGMSSA-N 306.409 4.722 30 20 DJED CCCC[C@@H](CC)CCCN(C)C(=O)c1ccc(C#N)cc1 1618244705 YQZYCOQATSJZPE-MRXNPFEDSA-N 300.446 4.627 30 20 DJED Cc1cc(C)c(CNc2nc(C(C)(C)C)ccc2C#N)c(C)c1 1639353641 UMGPPVNEECBXHV-UHFFFAOYSA-N 307.441 4.788 30 20 DJED N#Cc1ccc(N(CC2CCCCC2)CC2CCCCC2)nc1 1642492070 CQIRAGKSALOVST-UHFFFAOYSA-N 311.473 4.920 30 20 DJED CCOc1cccc(Cl)c1COc1cc(Cl)cc(C#N)c1 1643967741 DFYBSTMTFJOYCD-UHFFFAOYSA-N 322.191 4.843 30 20 DJED CC(=O)c1ccc(Oc2c(C#N)cnc3c(Cl)cccc23)cc1 1651305859 PIHRQFDCHRDPFX-UHFFFAOYSA-N 322.751 4.755 30 20 DJED N#Cc1ccc(CN(C/C=C/c2ccc(F)cc2F)C2CC2)cc1 1659198662 ZIZFLTXICTUBOX-OWOJBTEDSA-N 324.374 4.514 30 20 DJED CCC[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1661010601 IJDRERJDLKHWGF-AWEZNQCLSA-N 323.396 4.661 30 20 DJED CC[C@@H]1CCC[C@H](C=NNc2ccc(Cl)c(C(=O)O)c2)C1 1776033573 CEUPVSJPSSPXSS-NEPJUHHUSA-N 308.809 4.652 30 20 DJED CCCCCCCCCCCN(C)c1ncccc1C(=O)O 1776787765 RACMZKHTMBYPJI-UHFFFAOYSA-N 306.450 4.747 30 20 DJED COc1ccc(C(=O)/C=C/c2cccc3ccccc23)c(F)c1 6641199 IZAZIKOQVMSYOX-FMIVXFBMSA-N 306.336 4.884 30 20 DJED COc1ccc(/C=C2/CSc3ccc(Cl)cc3C2=O)cc1 12368772 RKMNNFIJXFVDEZ-WQLSENKSSA-N 316.809 4.721 30 20 DJED C[C@H](N[C@H](c1ccccc1)C1CCC1)c1ccc(OCC#N)cc1 181685289 BCOKTFZEWKCIFF-HRAATJIYSA-N 320.436 4.781 30 20 DJED C[C@@H](NCc1ccc(C(C)(F)F)cc1)c1ccc(C#N)cc1 293030643 AAZYYMUVWAOTQL-CYBMUJFWSA-N 300.352 4.521 30 20 DJED C=C(C)CN(CC)C(=O)c1cc(C)c(-c2ccc(F)cc2)s1 303174258 RTMHZDLIRQUNSP-UHFFFAOYSA-N 317.429 4.901 30 20 DJED CC(C)CCN(CCC#N)Cc1nc(-c2ccccc2)cs1 353416147 KYGASMFTYIMORZ-UHFFFAOYSA-N 313.470 4.572 30 20 DJED C=CCC[C@@H](N[C@@H]1CCCc2cnn(C(C)C)c21)c1ccco1 367597178 REDBRIABWNUWFO-IAGOWNOFSA-N 313.445 4.732 30 20 DJED CC(C)(C)OC1CC(CCNc2ccc(C#N)c(Cl)c2)C1 432852784 ROZVDZVTKOVKKT-UHFFFAOYSA-N 306.837 4.607 30 20 DJED C=CCC[C@@H](NC(=O)N1CC[C@H]1c1ccccc1)c1ccccc1 435101607 CIKDODYUHXQZCA-UXHICEINSA-N 320.436 4.851 30 20 DJED N#C[C@@H]1CC[C@H](Nc2cccc(CSC3CCCC3)c2)C1 442849257 BQGXMOLDQHEBDF-PBHICJAKSA-N 300.471 4.967 30 20 DJED C=CCC1(C(=O)Nc2cc(-c3ncco3)ccc2C)CCCC1 450429123 KLSNLUJHYILRAA-UHFFFAOYSA-N 310.397 4.725 30 20 DJED C=CC(C)(C)CNC(=O)c1c(Cl)cc(Cl)cc1Cl 456113832 HSHKLUFEFUXUNX-UHFFFAOYSA-N 306.620 4.589 30 20 DJED C[C@H](SC1CCC(C)(C)CC1)C(=O)Nc1ccccc1C#N 468388676 VPEATSOUYZGCAQ-ZDUSSCGKSA-N 316.470 4.587 30 20 DJED C=CCSc1ccccc1C(=O)Nc1cccc2ccn(C)c12 472823261 KGCVMTSCMHFERM-UHFFFAOYSA-N 322.433 4.709 30 20 DJED CCCCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H](C)CC 475765914 HMYKVOFZDASIQQ-HNNXBMFYSA-N 300.446 4.529 30 20 DJED N#Cc1cccc(C#N)c1SCc1ccc(C(F)(F)F)cc1 480370121 KCGMQISPLSVYMY-UHFFFAOYSA-N 318.323 4.741 30 20 DJED C=CC[C@H](C(=O)N[C@H](C)c1ccc(F)cc1F)c1ccccc1 487635448 OFYBLCOQTWWXRN-DYVFJYSZSA-N 315.363 4.502 30 20 DJED C=C(C)CN(CC)[C@H](C)c1ncc(-c2ccc(Cl)cc2)o1 488567480 KNUKSDAZNFLVEF-CYBMUJFWSA-N 304.821 4.954 30 20 DJED C=CCN(CC=C)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 503344420 OHTLHRNILFCUGS-QGZVFWFLSA-N 318.436 4.687 30 20 DJED CC[C@@H](NC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)s1 512233800 LJYUNQPVYQYYOP-GFCCVEGCSA-N 319.817 4.546 30 20 DJED C=CCCSCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 523521247 YAHHSIBLWAMTHG-UHFFFAOYSA-N 324.660 4.895 30 20 DJED C=CCCCCCN(C)C(=O)NCc1ccc2ccccc2c1 524791084 MQDCJLGTBBQRAW-UHFFFAOYSA-N 310.441 4.728 30 20 DJED Cc1[nH]c2ccccc2c1C1=CCN(CCC(C)(C)C#N)CC1 540664930 BNGPQMLPBNEMSU-UHFFFAOYSA-N 307.441 4.505 30 20 DJED N#Cc1cc(C(=O)Nc2cccc3ccsc23)ccc1Cl 542527428 HOGHHEOKPJOLDE-UHFFFAOYSA-N 312.781 4.679 30 20 DJED C=CCC(C)(C)c1noc([C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)n1 556363860 OXSHMJUKYIWOPV-MNOVXSKESA-N 322.330 4.612 30 20 DJED C=CCC[C@@H](CC)N[C@H](c1cncc(Br)c1)C1CC1 570871788 NIAGEWPJMXCYEW-CVEARBPZSA-N 323.278 4.630 30 20 DJED Cc1ccccc1[C@H](C)N(CCCSCC#N)CC(C)C 585754798 SZHJGTMLWGVNJD-KRWDZBQOSA-N 304.503 4.661 30 20 DJED C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1cccc(C2CC2)c1 590254394 CGWMYRKQJXHJEE-CYBMUJFWSA-N 310.828 4.940 30 20 DJED CC[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)cc1 618807670 VTUVHBANHVHRLO-MOPGFXCFSA-N 310.828 4.940 30 20 DJED Cc1c(N[C@@H](C)CC(C)(C)C#N)ccc(Br)c1F 695789498 FJTWMRIUPXNCGJ-VIFPVBQESA-N 313.214 4.637 30 20 DJED C#CCOc1ccc(CN[C@@H](CC(C)C)c2ccccc2)cc1 733323392 YMYKVNWRHRGCBZ-NRFANRHFSA-N 307.437 4.576 30 20 DJED C=CCCCCCN(C)C(=O)c1cc2ccccc2c(Cl)n1 739654326 MTCAMGSFVDCUDO-UHFFFAOYSA-N 316.832 4.707 30 20 DJED COc1ccc(/C=C2/C(=O)c3ccsc3S[C@H]2C)cc1 742437775 XKAFREXZDFKPKD-RSYJBZMQSA-N 302.420 4.517 30 20 DJED Cc1ccc(C(=O)/C=C/C=C/c2ccccc2[N+](=O)[O-])c(C)c1 750899212 ADVPYQRFEFUFBQ-GZFKCFCKSA-N 307.349 4.664 30 20 DJED Cc1ccc2cc(C(=O)/C=C3\COc4ccc(F)cc43)oc2c1 754828786 ICXNLMHEIKZLRH-NTUHNPAUSA-N 308.308 4.539 30 20 DJED COc1ccsc1C(=O)/C=C\c1cccc(C)c1OC(F)F 769746890 QCCSYVFOUZSFHF-SREVYHEPSA-N 324.348 4.563 30 20 DJED C#CC[C@H](NCc1ncc(-c2ccccc2)s1)c1ccccc1 770739635 DSUARFPKYZTUQP-SFHVURJKSA-N 318.445 4.664 30 20 DJED N#Cc1ccc(CSCc2ccc3c(c2)COC3)c(Cl)c1 783936173 YVSIEZKCIDXQGS-UHFFFAOYSA-N 315.825 4.675 30 20 DJED CCn1nc(/C=C\C(=O)c2csc(Cl)c2)c2ccccc21 787186026 KXFPIOFTDRJOJB-FPLPWBNLSA-N 316.813 4.667 30 20 DJED COc1cccc(O)c1C=Nc1cc(-c2cccnc2)ccc1C 794834212 RZEJLSOUUQEZON-UHFFFAOYSA-N 318.376 4.522 30 20 DJED C=CC[C@H](OC(=O)c1ccccn1)c1ccc(Cl)c(Cl)c1 797552962 ARIGXSZMZCUWPT-HNNXBMFYSA-N 322.191 4.863 30 20 DJED C#CCCCCC(=O)N(Cc1cccs1)C(C)(C)CCC 801751226 CGVVODNPNSKIBT-UHFFFAOYSA-N 305.487 4.849 30 20 DJED N#Cc1sc(N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)nc1Cl 804683119 VRNPHNAECJSVOQ-HOMQSWHASA-N 324.236 4.680 30 20 DJED C[C@@H](NCC(C)(C)CCC#N)c1cc(Cl)c(N)c(Cl)c1 806176977 QTCQFXRVSSJOEM-SNVBAGLBSA-N 314.260 4.556 30 20 DJED C[C@H]1/C(=C/c2ccc(-c3cnn(C)c3)s2)C(=O)c2ccccc21 809159174 JZSMKLIQYYZWNQ-AXIYWZQUSA-N 320.417 4.532 30 20 DJED FC(F)(F)c1cscc1C=NNCc1ccc(Cl)cc1 811644935 RBXIRZABKWDPBA-UHFFFAOYSA-N 318.751 4.544 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2cscc2C(F)(F)F)s1 811692013 BLXIGUBOXGKODO-IWQZZHSRSA-N 313.325 4.596 30 20 DJED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)C3CCC3)n2)cc1 838789752 WSSUKBZZWWSFAH-XJKSGUPXSA-N 324.449 4.731 30 20 DJED CCC(C#N)(CC)C(=O)Nc1cccc(SC(F)(F)F)c1 863618997 LEMHGLFCPNPZFG-UHFFFAOYSA-N 316.348 4.567 30 20 DJED CC(C)c1ccoc1C(=O)N(O)Cc1cccc2ccccc12 901371306 RKSCLRWNMKKVCH-UHFFFAOYSA-N 309.365 4.588 30 20 DJED CC(=NNc1cc(C)c2ccc(C)c(C)c2n1)c1scnc1C 915111734 LWZYXDZPQFMGPZ-UHFFFAOYSA-N 324.453 4.761 30 20 DJED CCCCCCCCCNC(=O)Nc1ccc(NC(C)=O)cc1 915325653 UNQFWTCZJURXJP-UHFFFAOYSA-N 319.449 4.517 30 20 DJED CCOc1ccc(OCC)c(N=Cc2cc(Cl)ccc2O)c1 920944272 SVENYYGLVTVKRN-UHFFFAOYSA-N 319.788 4.594 30 20 DJED COc1c(Cl)cc(Cl)cc1C=NOCc1ccccc1 921257903 ZKXHWCKEGSASOG-UHFFFAOYSA-N 310.180 4.553 30 20 DJED C=C[C@@H](CC)CC(=O)Nc1ccccc1S[C@@H](C)CC#N 932393044 UHTCOQBOUXNFAN-KBPBESRZSA-N 302.443 4.622 30 20 DJED C=CCOc1ccc(CN[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)cc1 1117112315 HJEAFKIDENMEIQ-QAPCUYQASA-N 323.436 4.604 30 20 DJED CCC1(CC)CN(C(=O)[C@]2(C#N)CC23CCCC3)c2ccccc21 1127410627 PZQCDVXQVLRCSW-OAQYLSRUSA-N 322.452 4.565 30 20 DJED C[C@H](OC(=O)CC1(C#N)CCCCC1)c1ccc(Cl)s1 1127564585 KMLGVUJPDVNOBA-NSHDSACASA-N 311.834 4.870 30 20 DJED N#Cc1ccc(F)c(NC(=O)C2CCC(c3ccccc3)CC2)c1 1129597423 BPXLPKVTNNAAPY-UHFFFAOYSA-N 322.383 4.610 30 20 DJED CCN(Cc1cc(F)cc(Cl)c1)[C@@H](C)c1ccc(C#N)cc1 1308619113 KVXAKLDEQAKJPR-ZDUSSCGKSA-N 316.807 4.934 30 20 DJED CC(C)(C)c1csc(NC(=O)NCC2CCCCC2)c1C#N 1310782616 SNPNYVDNQCDZCN-UHFFFAOYSA-N 319.474 4.619 30 20 DJED N#Cc1ccccc1Oc1ccccc1C(=O)OC1CCCCC1 1350184774 ZXLWXQOXLIXFMS-UHFFFAOYSA-N 321.376 4.840 30 20 DJED CCC(C)(C)c1ccc(Oc2nc(C)cc(C#N)n2)c(Cl)c1 1458239198 MOQRKAFPAAZAQH-UHFFFAOYSA-N 315.804 4.790 30 20 DJED CC[C@@H](C(=O)N(c1cccc(C#N)c1)C1CCC1)c1ccccc1 1461559055 IUOPMJHXLMUFHJ-HXUWFJFHSA-N 318.420 4.638 30 20 DJED C[C@H](Cc1ccccc1C(F)(F)F)Nc1cccc(CC#N)c1 1462251537 ZHAOBASQTMJGOQ-CYBMUJFWSA-N 318.342 4.815 30 20 DJED CC(C)(C)Sc1ccc(Nc2ncc(C#N)cc2F)cc1F 1472791181 AUEZEZUUPKOQJH-UHFFFAOYSA-N 319.380 4.866 30 20 DJED COc1cc(C#N)ccc1CN1C[C@@H](C)CC[C@@H]1c1ccccc1 1473466191 ZWWPNLJWRHHPLT-OXJNMPFZSA-N 320.436 4.540 30 20 DJED CCC1(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCC1 1526677563 QFSXXACYLIAOHM-UHFFFAOYSA-N 320.392 4.869 30 20 DJED Cc1ccc(-c2ccc(C(=O)O[C@H]3CCC[C@H](C#N)C3)s2)o1 1528079622 COAXJUHVFBDDEP-STQMWFEESA-N 315.394 4.556 30 20 DJED C[C@H](S[C@H]1CC[C@@H](C#N)C1)c1cccc(Br)c1 1559419256 XBQIHHHPBDSYLY-WDMOLILDSA-N 310.260 4.936 30 20 DJED CC(C)CN(Cc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 1559505864 PJXRYIIWKPWCJW-UHFFFAOYSA-N 312.844 4.870 30 20 DJED CC(C)(C)C[C@@H]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 1562491641 LDUSSTFQSQJPEW-ZDUSSCGKSA-N 319.836 4.502 30 20 DJED CC(C)c1cccc(C(=O)N(c2ccccc2C#N)C2CCC2)c1 1586217937 MLKHYNDQAJTSFD-UHFFFAOYSA-N 318.420 4.881 30 20 DJED CCCC[C@H](CC)CC(=O)N(CCC#N)c1ccc(C)cc1 1603045863 KFPYKHXSMNURAW-KRWDZBQOSA-N 300.446 4.848 30 20 DJED Cc1cc(Cl)cc2c1N(CCc1ccc(C#N)cc1)CCC2 1644835671 ZVUZCIUOYWZENZ-UHFFFAOYSA-N 310.828 4.515 30 20 DJED C[C@H](CCC#N)CNCC(C)(C)c1ccc(C(F)(F)F)cc1 1657801416 JIAZUUACVGOGMH-CYBMUJFWSA-N 312.379 4.512 30 20 DJED C[C@@H]1CCCCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1677860943 VGOLWWRVDCAZEZ-GFCCVEGCSA-N 319.474 4.571 30 20 DJED CC(=NOC1CCCCC1)c1sc2ccccc2c1C(=O)O 1776056469 OTWGTCRXCGKYHD-UHFFFAOYSA-N 317.410 4.673 30 20 DJED N#C[C@@H](C(=O)CCC1CCCC1)c1nc(-c2ccccc2)cs1 41535624 LBHIPGLCVIGHPT-INIZCTEOSA-N 324.449 4.957 30 20 DJED Cc1cc([C@H](C)Nc2ccc(Br)cc2C#N)c(C)o1 96731075 ASGQFYFFPBNXHB-JTQLQIEISA-N 319.202 4.704 30 20 DJED Cc1cccc([C@@H](C)NCc2ccc(N(C)CCC#N)cc2)c1C 115630249 FGVONPRJYSVSDY-GOSISDBHSA-N 321.468 4.504 30 20 DJED C[C@@H](NCc1ccc(F)c(C#N)c1)c1cccc2ccccc12 136232061 VVMDZWLBVFQNDX-CQSZACIVSA-N 304.368 4.701 30 20 DJED C#Cc1cccc(NCc2csc(-c3ccccc3F)n2)c1 176907506 PQOMUHNSDHBUSV-UHFFFAOYSA-N 308.381 4.543 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 188281160 ZBLCJVCSZAXHFK-GOSISDBHSA-N 318.417 4.574 30 20 DJED CC(C)(C#N)CCCCOc1ccc([N+](=O)[O-])c2ccccc12 322925322 LUODPLJFCYXOMW-UHFFFAOYSA-N 312.369 4.847 30 20 DJED O/C(CCc1nc2ccccc2o1)=N/[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 329395373 UBCNITONOFVWKK-WVCIDPQESA-N 324.424 4.542 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@@H]2NCC1(C(F)(F)F)CCC1 353950515 CJVSXRKCXNSCSH-INIZCTEOSA-N 322.374 4.648 30 20 DJED CCCCC1CCC(NC(=O)Nc2ccc(CC#N)cc2)CC1 409659701 NPDRFKRLNXEOPE-UHFFFAOYSA-N 313.445 4.623 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1cccc(N2CCCCCC2)c1 439584885 CHMFTYMYJGLJOB-INIZCTEOSA-N 315.461 4.543 30 20 DJED C=CCC[C@@H](NC(=O)CC1CC1)c1ccc(C(F)(F)F)cc1 441538141 CXXLQVBXMUXFFW-OAHLLOKOSA-N 311.347 4.629 30 20 DJED CC#CCCSc1nnc(-c2ccco2)n1C1CCCCC1 462380496 LWWVOQLSYZJANU-UHFFFAOYSA-N 315.442 4.549 30 20 DJED N#Cc1ccccc1Oc1ccc(NCCC(F)(F)F)cc1F 463227732 BMTIJLPZBDAZKF-UHFFFAOYSA-N 324.277 4.854 30 20 DJED C=C[C@@H](C)NC(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 464749678 DZEBABFRFQBQLZ-HUUCEWRRSA-N 314.454 4.595 30 20 DJED Cc1cccnc1[C@@H]1CCC[C@H](N[C@@H](C)c2ccc(C#N)cc2)C1 467376101 IMTHBTBDXAVZHP-DBVUQKKJSA-N 319.452 4.639 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@H]1[C@H](CC)c1ccccc1 467519251 CPBLPPDJLRJFAI-UXHICEINSA-N 311.469 4.940 30 20 DJED C=CCC(CC=C)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 467839901 FFDIDLKDKMYNGL-SFHVURJKSA-N 301.405 4.552 30 20 DJED Cc1ccc2ncc(C#N)c(N3CCC[C@@H]3c3cccs3)c2c1 487937715 AJQKDUKGSWZRAT-QGZVFWFLSA-N 319.433 4.818 30 20 DJED C[C@H](NC[C@@H]1CCCCC(F)(F)C1)c1ccc(C#N)c(F)c1 495029552 NZTHTYWRYQEIRT-QWHCGFSZSA-N 310.363 4.564 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1ccc2ncccc2c1 500995732 CUZYIVSFEJEOIN-UHFFFAOYSA-N 317.392 4.506 30 20 DJED N#Cc1cnccc1/C=C/c1ccc(-c2cccc(F)c2F)o1 504743214 UCCDYRLONLTWHQ-SNAWJCMRSA-N 308.287 4.662 30 20 DJED Cc1ccc([C@H]2CCCN2c2ccc(Cl)cc2C#N)s1 513744031 GAQAXMDBQXTXEX-OAHLLOKOSA-N 302.830 4.923 30 20 DJED C[C@H](NCc1cccc(C#N)c1F)c1cc2ccccc2s1 526944810 CHCGVRPSBQTVBJ-LBPRGKRZSA-N 310.397 4.763 30 20 DJED Cc1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)ccc1C1CC1 527259068 XGCRTMYWNHTAQL-GOSISDBHSA-N 318.420 4.899 30 20 DJED CC(C)(C)c1cc(NC(=O)CC2=CCCCC2)c(C#N)s1 533808300 WLPPIMLCTLRZKG-UHFFFAOYSA-N 302.443 4.746 30 20 DJED C=CCN(Cc1cnc([C@@H]2CCCO2)s1)CC1CCCCC1 536671913 YPJUIQIZWLKHNW-KRWDZBQOSA-N 320.502 4.563 30 20 DJED C=CCN(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC1 540063274 SNMDAKWMQZDUSP-UHFFFAOYSA-N 318.726 4.541 30 20 DJED C[C@@H](NCCC(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 541084511 AGRPAOFEUMJZIC-CYBMUJFWSA-N 318.342 4.828 30 20 DJED CCN(C(=O)[C@@H](C)CCC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 541603911 FCNYHFZQWAMZRC-HOTGVXAUSA-N 314.473 4.930 30 20 DJED Cc1ccc(Oc2ccc(NC[C@H](C#N)CCC#N)cc2)cc1 554452464 UWLQXSDSSKTGLB-INIZCTEOSA-N 305.381 4.643 30 20 DJED C=C(C)COc1cccc(NC(=O)c2ccc3ncsc3c2)c1 589385050 WHTQTNKGELQZKG-UHFFFAOYSA-N 324.405 4.504 30 20 DJED C[C@@H]1CCC[C@H](C(=O)N(Cc2ccco2)c2ccccc2C#N)C1 610171033 GJSOSJSHIYPGPJ-CVEARBPZSA-N 322.408 4.511 30 20 DJED C[C@@H]1C[C@@H]1[C@H](NCC(C)(C)CCC#N)c1ccc(Cl)cc1 610271384 QFGAWEWWEWUIRE-XOKHGSTOSA-N 304.865 4.957 30 20 DJED C[C@H](NC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1)c1cccc(C#N)c1 610360670 CBZRQVSYYAKGBT-VYDXJSESSA-N 312.457 4.588 30 20 DJED C=CCC(CC=C)C(=O)N(C)Cc1ccc(Cl)cc1Cl 675149007 CCCMXMNZVKTWPP-UHFFFAOYSA-N 312.240 4.720 30 20 DJED C=CC[C@H](C)C(C)=NNc1ncc(C(F)(F)F)cc1Cl 727777005 LOFWJFFEPCTKOV-QMMMGPOBSA-N 305.731 4.754 30 20 DJED COc1cc(C)c(C(=O)/C=C\c2ccc(C)c(C)c2)cc1OC 731320360 WNCKMFWVCBMOIT-HJWRWDBZSA-N 310.393 4.525 30 20 DJED Cc1cccc(C(=O)/C=C\c2cccc(OCCCC#N)c2)c1C 734305213 MGHJAFVOLJLWMP-QXMHVHEDSA-N 319.404 4.882 30 20 DJED O=C(/C=C/c1ccc(Cl)s1)c1c(Cl)nc2ccccn12 737446146 OSPBUUUXSQUPGA-GQCTYLIASA-N 323.204 4.599 30 20 DJED C[C@@H](CC#N)OC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 744135100 IYILYTBZQMMEQD-ZDUSSCGKSA-N 311.381 4.703 30 20 DJED C(=NNc1cccc2ccccc12)[C@@H]1CCOc2ccccc21 752164145 CUKIBIZYMFXEIZ-INIZCTEOSA-N 302.377 4.804 30 20 DJED COc1ccc(C(=O)/C=C/c2cccc(Cl)c2F)c(F)c1 759652064 DWAOCUAMLPBWQB-VMPITWQZSA-N 308.711 4.523 30 20 DJED CCC[C@@H](C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)C(C)C 764637072 AUQGBDVYXJPXOP-CHWSQXEVSA-N 318.417 4.684 30 20 DJED CCCN(Cc1ccccc1O)Cc1ccccc1C(C)(C)C#N 767894120 SNHHEWPKLQWDGP-UHFFFAOYSA-N 322.452 4.606 30 20 DJED C#CCCCCC(=O)N1CCc2cc(Cl)c(Cl)cc2[C@H]1C 773451327 KRZOLSBVOZTXHR-GFCCVEGCSA-N 324.251 4.633 30 20 DJED C#CC[C@H](NCc1nc(-c2ccccc2)oc1C)c1ccccc1 775398844 CJNODFVGJSKUQP-IBGZPJMESA-N 316.404 4.504 30 20 DJED CC(C)Oc1cc(F)ccc1N[C@@H](C)c1ccc(C#N)c(F)c1 779183706 GQVMJDJCPXSNFJ-LBPRGKRZSA-N 316.351 4.797 30 20 DJED C#CCCCCCC(=O)N[C@H](CCC)c1ccc(F)cc1F 779980207 ICIXEGQOSXLHBM-QGZVFWFLSA-N 307.384 4.506 30 20 DJED Fc1cc(NN=Cc2sc3ccccc3c2Cl)ccn1 781133834 UOWFJOWIWMJYPE-UHFFFAOYSA-N 305.765 4.535 30 20 DJED COc1cc(-c2ccccc2)ccc1/C=C\C(=O)c1cc(C)on1 806556121 NEKDYIRQQSWWLH-KHPPLWFESA-N 319.360 4.555 30 20 DJED C=CC[C@@H](N[C@@H](C)c1nccc2ccccc12)c1ccncc1 810218153 GMIJGSIOBKZIOU-HNAYVOBHSA-N 303.409 4.598 30 20 DJED CC(=NNc1ccccc1Br)c1cc(C)sc1C 812462302 LRHJXNPAFRNVPZ-UHFFFAOYSA-N 323.259 4.964 30 20 DJED Fc1cccc(Cl)c1C=NNc1ccccc1C(F)(F)F 916259448 HTNIGKZVVOLEGF-UHFFFAOYSA-N 316.685 4.944 30 20 DJED CC(=NNc1ncc(Cl)cc1Cl)c1ccccc1Cl 916316469 CEPBTLOZYKKIED-UHFFFAOYSA-N 314.603 4.878 30 20 DJED C[C@H](NN=Cc1ccc(-c2ccc(F)cc2)o1)c1ccccc1 920386337 YAHDQFSYENITFG-AWEZNQCLSA-N 308.356 4.770 30 20 DJED CC(C)[C@H](CC(=O)O[C@H](C)c1cccc(C#N)c1)c1ccccc1 1127091485 RFPYNYYWGZHCDF-UZLBHIALSA-N 321.420 4.992 30 20 DJED Cc1ccc2sc(N[C@H](C)c3cccc(C#N)c3)nc2c1C 1164120094 NGBCUFIMSZDJQQ-CYBMUJFWSA-N 307.422 4.958 30 20 DJED N#Cc1ccc(CN2CCC[C@@H]2C2CCCCC2)c(Cl)c1 1167072835 UYAFALDJNYPJOR-GOSISDBHSA-N 302.849 4.756 30 20 DJED N#C[C@H]1CC[C@@H](NCc2cccc(-c3ccc(Cl)cc3)c2)C1 1179002044 ILEIHHCUWLECEI-IFXJQAMLSA-N 310.828 4.789 30 20 DJED CC(C)N(Cc1cccc(Cl)c1)Cc1cccc(C#N)c1F 1190365917 MHUAPHCHNNLWDB-UHFFFAOYSA-N 316.807 4.761 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N(CC(C)(C)C)CC(C)(C)C 1201424086 DCEZSEFXUBFWSJ-UHFFFAOYSA-N 315.461 4.793 30 20 DJED C=CCC[C@H](C)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 1324348120 FYCQPZIWGFVLHI-XSLAUPDRSA-N 312.501 4.516 30 20 DJED CC[C@@H](Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(C)cc1 1341640989 WLRWAQQSCPYOIV-INIZCTEOSA-N 317.392 4.653 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)N1CCCC(C)(C)[C@H]1C#N 1436162327 XWCWMGWHQJATJW-IAGOWNOFSA-N 304.478 4.524 30 20 DJED COc1ccccc1[C@H](C)Sc1nc(C#N)c(Cl)s1 1458201528 JDZRNMKDLUATSC-QMMMGPOBSA-N 310.831 4.530 30 20 DJED N#Cc1ccc(COc2cccc(Cl)c2)c(Br)c1 1458821702 PZOXVSDQABQHND-UHFFFAOYSA-N 322.589 4.553 30 20 DJED CCCC[C@@H](CC)COc1ccc(Br)c(C#N)c1 1459291633 PEUOLPWSPXGNEH-GFCCVEGCSA-N 310.235 4.916 30 20 DJED C=C(Cl)CN[C@@H](CC(C)C)c1cc(Cl)ccc1OC 1473323522 PQDOOOQXBQDXPW-AWEZNQCLSA-N 302.245 4.778 30 20 DJED CC[C@H](OC(=O)c1ccc(F)c(C#N)c1)c1cccc(Cl)c1 1521077924 ZILCVJCEFISGFC-INIZCTEOSA-N 317.747 4.659 30 20 DJED CC[C@H](CC#N)OC(=O)CC1c2ccccc2Oc2ccccc21 1525366951 IBJBIVIPDXPLNV-CQSZACIVSA-N 321.376 4.550 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cccc(C(C)(C)C)c1 1526210278 VSEUZZMWFLLKEQ-OAHLLOKOSA-N 320.436 4.689 30 20 DJED C[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1cccc(C2CC2)c1 1527172342 GWSMEWQWGQRCPG-LBPRGKRZSA-N 324.811 4.580 30 20 DJED C[C@@H](OC(=O)[C@H](C)c1cc2ccccc2o1)c1ccc(C#N)cc1 1533618982 IZEPCWFUQKLMJZ-ZIAGYGMSSA-N 319.360 4.712 30 20 DJED N#Cc1cccc(OCc2cc(Br)ccc2Cl)c1 1559351941 SRUDOGTZWCDSHG-UHFFFAOYSA-N 322.589 4.553 30 20 DJED N#Cc1ccc(CCOc2ccc(SC(F)(F)F)cc2)cc1 1559409736 BJDACIPVQHCTDX-UHFFFAOYSA-N 323.339 4.792 30 20 DJED COc1cc2ccccc2cc1CN(CCC#N)CCC(C)C 1560657511 PJCDZSMWCJYOIG-UHFFFAOYSA-N 310.441 4.610 30 20 DJED N#CCC1(CN2CC=C(c3cccc4ccccc34)CC2)CC1 1615326986 NDOZRBKYLHRNOU-UHFFFAOYSA-N 302.421 4.623 30 20 DJED Cc1ccnc(NCCc2cccc(-c3ccccc3)c2)c1C#N 1651274780 YAHXAWFZZBBBAU-UHFFFAOYSA-N 313.404 4.583 30 20 DJED Cc1cc(CNc2cc(C)c(C)c3ncccc23)ccc1C#N 1656768640 OFEFLHVYGWXDEE-UHFFFAOYSA-N 301.393 4.644 30 20 DJED N#Cc1c(F)cccc1CN1CCCCC[C@H]1c1ccccc1 1657425071 JJIYJQMDPRSTKN-FQEVSTJZSA-N 308.400 4.815 30 20 DJED Cc1ccc(-c2ccccc2CN[C@@H]2CC[C@H](C#N)C2)c(C)c1 1658164959 SAHVZNHKLKRCKW-PKOBYXMFSA-N 304.437 4.752 30 20 DJED C=CCOc1cccc(NC(=O)c2c(Cl)cccc2Cl)c1 81587517 XZJDAXQSPXXOBH-UHFFFAOYSA-N 322.191 4.811 30 20 DJED C[C@H](NCc1cccc(OCC#N)c1)c1cccc2ccccc12 124017507 MHAVPTUGBFWEIC-INIZCTEOSA-N 316.404 4.593 30 20 DJED CC(C)(C#N)CCOc1cc(F)c(Cl)cc1Br 232523899 ZFGRCASEMIETHP-UHFFFAOYSA-N 320.589 4.560 30 20 DJED Cc1nc2ccccc2c(NC(=O)CC(C)(C)C#N)c1C(C)C 278695091 FKMRIWFLGGPIRK-UHFFFAOYSA-N 309.413 4.545 30 20 DJED N#Cc1cccc(COc2ccc(Br)c(Cl)c2)c1 313516279 FFUPPOYEHRZSAT-UHFFFAOYSA-N 322.589 4.553 30 20 DJED CSc1ccc([C@@H](C)NC2CC(C#N)(c3ccccc3)C2)cc1 321152844 IRSHUKJBDJZNJZ-MYWSLZCHSA-N 322.477 4.683 30 20 DJED COc1ccc(N=C(O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)cc1O 329491189 VINRQBJHLOKLKI-AEGPPILISA-N 303.402 4.595 30 20 DJED N#Cc1ccc([C@H](O)CSc2ccc(Cl)c(Cl)c2)cc1 402237110 FWWPTIQLGYUIJD-OAHLLOKOSA-N 324.232 4.691 30 20 DJED Cc1cc(Cl)c(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1C 413852925 HCTUGQXKTCOMAK-JKSUJKDBSA-N 324.811 4.571 30 20 DJED CN(C(=O)CCC1CCCCC1)c1cc(Cl)ccc1C#N 436004328 VSBJUGNIGLICEH-UHFFFAOYSA-N 304.821 4.535 30 20 DJED Cc1sc2ncnc(N[C@H](CCC#N)c3ccccc3)c2c1C 439100402 TZXXFSIHVLDXQX-OAHLLOKOSA-N 322.437 4.765 30 20 DJED CC(C)c1cccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)c1 439320448 YJIPLZOEBOWAME-IBGZPJMESA-N 321.424 4.977 30 20 DJED CCC1(c2noc(-c3cccc(SCC#N)c3)n2)CCCC1 445782504 JBRHJCLRNQDLLB-UHFFFAOYSA-N 313.426 4.574 30 20 DJED CC[C@@H](CC(F)(F)F)Nc1ccc(C(F)(F)F)c(C#N)c1 463481808 GIWQYJYXPGXQOJ-VIFPVBQESA-N 310.241 4.720 30 20 DJED C=CCCN(C)C(=O)[C@H](Sc1ccccc1)c1ccccc1 466646865 FOUDRQLBQNWPCI-GOSISDBHSA-N 311.450 4.555 30 20 DJED CC[C@@H]1CCCC[C@@H]1C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 475117818 MOIRBXKZYLBAIW-SUMDDJOVSA-N 312.457 4.684 30 20 DJED CN(c1ccccc1NCc1ccc(C#N)c(F)c1)C1CCCC1 479460373 YSFLZBNZXXXZBG-UHFFFAOYSA-N 323.415 4.688 30 20 DJED C=CCC[C@H](C(=O)Nc1cc2c[nH]nc2cc1C)c1ccccc1 481360133 OJJIHXHZCQHNNQ-KRWDZBQOSA-N 319.408 4.560 30 20 DJED C=CCCC[C@@H](C)NC(=O)N(C)[C@H](CC)c1ccccc1OC 501560074 WSMREOKFIMQRGN-NVXWUHKLSA-N 318.461 4.533 30 20 DJED C=CCC[C@H](NCc1ccccc1OC(F)F)c1ccco1 514106151 WEJWXYVDABXAEB-AWEZNQCLSA-N 307.340 4.678 30 20 DJED CC(C)c1ccc(C(=O)N[C@@H](C#N)c2ccccc2Cl)s1 544848720 GCWBEWXLIKUZSY-ZDUSSCGKSA-N 318.829 4.520 30 20 DJED CC(C)c1ccc2occ(C(=O)N(C)c3cccc(C#N)c3)c2c1 553208251 WKOBNRZVDDFXKI-UHFFFAOYSA-N 318.376 4.704 30 20 DJED C=CCN(C(=O)[C@H](C)SCc1ccccc1)c1ccccc1 554696883 DUOLETXBDKAZET-INIZCTEOSA-N 311.450 4.528 30 20 DJED CCN(CC(C)(C)C)C(=O)c1sc2ccc(C#N)cc2c1C 570432783 CNAFXRHSNMWWCD-UHFFFAOYSA-N 314.454 4.590 30 20 DJED C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(F)c2ccccc12 573878428 FAHHWNMYXMLERI-ZDUSSCGKSA-N 322.358 4.840 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)CCCC1CC1 589755471 OKHZBNBZEHVMJB-UHFFFAOYSA-N 310.422 4.806 30 20 DJED N#CC[C@H]1CCCN(C(=O)Nc2ccccc2-c2ccccc2)C1 596643460 YMXWAYQSZJOJSP-MRXNPFEDSA-N 319.408 4.511 30 20 DJED C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)c1ccc(C)s1 732701875 PDXOTMIVKKBULN-HNNXBMFYSA-N 320.502 4.895 30 20 DJED O=C(/C=C\c1cc2cc(F)ccc2o1)c1ccc(F)cc1F 741852508 MMKHSOSKBBGWNG-HYXAFXHYSA-N 302.251 4.746 30 20 DJED O=C(/C=C/c1cccc(Cl)c1Cl)c1ccc2c(c1)COC2 742434884 NFSOTGBTUPTAFK-VOTSOKGWSA-N 319.187 4.920 30 20 DJED N#Cc1ccc(CNc2ccc(OC3CCCC3)c(F)c2)s1 749111250 ZORDAZPNWFUURQ-UHFFFAOYSA-N 316.401 4.692 30 20 DJED CCCCCCC[C@@H](C)CNC(=O)[C@@H](C)c1c(C)noc1C 749793975 CDGREAUOGBRHJI-KGLIPLIRSA-N 308.466 4.508 30 20 DJED COc1ccc(CCC(C)=NOCCCCC(F)(F)F)cc1 752771242 XTEVTDNWZORVCD-UHFFFAOYSA-N 317.351 4.753 30 20 DJED Cc1ccc2cc(C(=O)/C=C\c3cnc4ccc(C)cn34)oc2c1 754825944 TXASGVYINKONBV-SREVYHEPSA-N 316.360 4.593 30 20 DJED Fc1cc(NN=CC2CCC(C(F)(F)F)CC2)cc(F)c1F 767387260 YKLMLXVTLAQOHQ-UHFFFAOYSA-N 324.268 4.870 30 20 DJED CCO[C@H](C/N=C/c1c(O)ccc2ccccc12)c1ccccc1 772154661 KUISXCKOUMQCGB-XOWGOQOESA-N 319.404 4.742 30 20 DJED Cc1ccc(-c2nc(/C=C\C(=O)c3ccnc(Cl)c3)co2)cc1 782183873 FYRPWGJGQBKZMN-SREVYHEPSA-N 324.767 4.595 30 20 DJED C/C=C(\CC)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 789642521 XPEHJKSMOFZRCM-CRKCGEKBSA-N 306.365 4.645 30 20 DJED CC(C)(C)c1cnc(/C=C\C(=O)c2ccc(F)c(F)c2)s1 790601187 KVYDESQBHWHBBQ-SREVYHEPSA-N 307.365 4.615 30 20 DJED CC(=NNc1ncnc(Cl)c1C(C)C)c1ccc(F)cc1C 797404639 RIDPCOZAMGZLME-UHFFFAOYSA-N 320.799 4.537 30 20 DJED O=C(/C=C/c1ccccc1C1CC1)c1cc(F)ccc1[N+](=O)[O-] 806560394 NKCCWPYARGIKDC-JXMROGBWSA-N 311.312 4.507 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1(F)CCCCC1 810370512 IAQLMYUTALVXPX-ZDUSSCGKSA-N 320.433 4.692 30 20 DJED Cc1ccc2sc(C(=O)OCCCC(C)(C)C#N)cc2c1 811346231 BFXJONADPBIZQC-UHFFFAOYSA-N 301.411 4.697 30 20 DJED C#CC[C@H](NCc1cscc1C(F)(F)F)c1ccccc1 811485189 BZWJKFGITLLZMH-HNNXBMFYSA-N 309.356 4.621 30 20 DJED CCCCc1oc2ccccc2c1C=NN[C@@H](C)c1ccncc1 819815137 MKHPRTVWPULGMT-HNNXBMFYSA-N 321.424 4.855 30 20 DJED O=C(/C=C/c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 916129130 WIPGOPHCSNLSAA-FMIVXFBMSA-N 309.384 4.712 30 20 DJED CC(=NNc1cccc(Cl)c1F)c1ccc(C)c([N+](=O)[O-])c1 921137612 FKKURDOZVXTTLP-UHFFFAOYSA-N 321.739 4.532 30 20 DJED CCC(C)(C)c1ccc(C(=O)Nc2scc(C)c2C#N)cc1 1128751942 WVEWCVNADIJZRQ-UHFFFAOYSA-N 312.438 4.868 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1cc(F)ccc1Cl 1166376346 BUQRPSBXKBAEIT-UHFFFAOYSA-N 310.155 4.892 30 20 DJED CC[C@H](C)c1ccc(C(=O)COc2ccc(C#N)c(C)c2)cc1 1189235775 VUUPFRJCNDEJGU-AWEZNQCLSA-N 307.393 4.642 30 20 DJED CC(C)(C)OCc1cccc(NCc2cccc(F)c2C#N)c1 1207699792 HGQCHEYVHCJJQJ-UHFFFAOYSA-N 312.388 4.625 30 20 DJED N#C[C@@H](C(=O)C1C[C@H]2CCC[C@H](C1)C2)c1ccc2ccccc2n1 1343758196 CTBWTLGHQZOLOK-RLFYNMQTSA-N 318.420 4.627 30 20 DJED Cc1cccc2cc(C(=O)O[C@H](C)c3ccc(C#N)cc3)sc12 1435363193 LETNBHKPBHBSHO-CYBMUJFWSA-N 321.401 4.999 30 20 DJED Cc1cc(C#N)cc(NC(=O)N[C@H](C)CCC2CCCCC2)c1 1466836929 IZLCWQRCQOLFAZ-OAHLLOKOSA-N 313.445 4.737 30 20 DJED C=C(CNC(=O)N(Cc1ccccc1)[C@@H](C)CC)c1ccccc1 1470420936 UNUJZSKBIFXBGI-SFHVURJKSA-N 322.452 4.710 30 20 DJED CC(C)Cc1cccc([C@@H](C)C(=O)Nc2cc(F)cc(C#N)c2)c1 1544397178 PIXCJBGQSJSZNU-CQSZACIVSA-N 324.399 4.638 30 20 DJED CC[C@@H](C#N)C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCCC1 1545737817 UDBFIJAHRNNTEN-SUMWQHHRSA-N 318.848 4.627 30 20 DJED CC(C)(C)c1cc(NC(=O)c2cccc3c2CCC3)c(C#N)s1 1583931740 SCMDQYAGEMCNOR-UHFFFAOYSA-N 324.449 4.658 30 20 DJED N#Cc1c(F)cccc1NCc1ccc(OC2CCCC2)cc1 1612370976 RBXIGHXEASCBGK-UHFFFAOYSA-N 310.372 4.631 30 20 DJED Cc1cc(C#N)ccc1CN1c2ccccc2S[C@H](C)[C@H]1C 1642123343 MJBOXDBXSXRPLF-HUUCEWRRSA-N 308.450 4.756 30 20 DJED Cc1c(Cl)cnc(N[C@@H](C)c2ccc(Cl)cc2)c1C#N 1642771024 LOFCZDKUAYPIST-JTQLQIEISA-N 306.196 4.742 30 20 DJED CCCC1CCC(CNc2ccccc2O[C@@H](C)C#N)CC1 1650830774 OLRSCVBQBDCFEJ-GTPINHCMSA-N 300.446 4.996 30 20 DJED CCCCn1c(SCc2ccc(C#N)s2)nc(C)c1C 1652589174 RBVSOZCYOMNQES-UHFFFAOYSA-N 305.472 4.526 30 20 DJED CCC[C@@H](CC)NCc1cccc(OCc2cccc(C#N)c2)c1 1657146516 CCSNIFAIARNIDW-HXUWFJFHSA-N 322.452 4.806 30 20 DJED C[C@H]1CCCC[C@@H]1CNc1ccc(Oc2ccnc(C#N)c2)cc1 1657466124 RJNQSDZYFBWCQY-JKSUJKDBSA-N 321.424 4.984 30 20 DJED Cc1cc(C#N)ccc1CN[C@H]1CCCC[C@@H]1Cc1ccccc1 1658355264 MAYJWNMTTHEZGP-IRLDBZIGSA-N 318.464 4.758 30 20 DJED CC(=NNc1ccc(Cl)c(C)c1)[C@@H]1C[C@H](CC(=O)O)C1(C)C 1776105184 RJJKZSBXYKEOHD-OCCSQVGLSA-N 322.836 4.573 30 20 DJED CC(C)Cc1ccccc1/C=C/C(=O)c1ccc(C(=O)O)s1 1776341325 UXVRTXWLUIUMNY-BQYQJAHWSA-N 314.406 4.541 30 20 DJED O=C1/C(=C/c2csc(Br)c2)CCc2ccccc21 31823887 FJGPQQJRZOGHHA-KPKJPENVSA-N 319.223 4.723 30 20 DJED N#Cc1csc(CN[C@H]2CCSc3ccc(Cl)cc32)c1 93492218 WENKHKSVIHZIKN-AWEZNQCLSA-N 320.870 4.600 30 20 DJED C=CCCC(=O)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C 107520853 QNZHJBRNWDAZTI-ZDUSSCGKSA-N 314.454 4.570 30 20 DJED C[C@@H](N[C@@H](c1ccc(F)cc1)C1CCC1)c1ccc(C#N)cc1 118397743 YKCHZUSMOKYMPT-JLTOFOAXSA-N 308.400 4.889 30 20 DJED C#CCCCCC(=O)N(C1CC1)[C@@H](C)c1ccc(Cl)cc1 119653449 KIECAFYAEACTQY-AWEZNQCLSA-N 303.833 4.586 30 20 DJED C[C@@H](Nc1ccc(F)cc1OCC#N)c1ccccc1Cl 155472106 SVRYUDMVJGXNCB-LLVKDONJSA-N 304.752 4.555 30 20 DJED C=CCCCC(=O)N1CCc2sccc2[C@@H]1c1cccs1 177482035 RZXOQWRMKHXYPB-QGZVFWFLSA-N 317.479 4.640 30 20 DJED Cc1ccccc1C(NCCCSCC#N)c1ccccc1C 183946594 NIDVPEKQSYWOCY-UHFFFAOYSA-N 324.493 4.629 30 20 DJED N#CCc1ccc(NCc2ccc(Oc3ccccc3)o2)cc1 185147352 POBQAKMDEVAPQP-UHFFFAOYSA-N 304.349 4.750 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc(-c2ncco2)cc1)c1ccccc1 188911624 DGDSXGACOHLNSQ-GOSISDBHSA-N 318.376 4.640 30 20 DJED C[C@@H](Sc1ncccc1C#N)c1ccc(OC(F)(F)F)cc1 301113891 UKFIIQMVGSABLQ-SNVBAGLBSA-N 324.327 4.705 30 20 DJED CCc1noc(C)c1C/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 329522950 GHYJBDCTBSNZFV-RRFJBIMHSA-N 304.434 4.608 30 20 DJED CCO[C@H](C)c1ncc(/C(O)=N/C2CCC(CC)CC2)s1 330906207 DNYZWDOZXVCGHZ-PNESKVBLSA-N 310.463 4.514 30 20 DJED N#C[C@H]1CC[C@@H](N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 424317325 BWMOQNIWKODGMY-GDIGMMSISA-N 310.828 4.711 30 20 DJED CC(C)(C#N)CCCCSCCc1ccc2c(c1)CCO2 435884418 RYLQCPLWPLGIHH-UHFFFAOYSA-N 303.471 4.617 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1cc2c(F)cccc2[nH]1 437799685 WFAOZDWVGCGCFM-UHFFFAOYSA-N 323.371 4.578 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 468109797 RYNFPFLUIIPFDY-IBGZPJMESA-N 310.397 4.760 30 20 DJED CCCCCN(C(=O)c1ccc(C(C)(C)C#N)cc1)C(C)C 475019314 YHWUIZBRIYNOFH-UHFFFAOYSA-N 300.446 4.529 30 20 DJED C=CCCCS[C@H](C)c1nc(-c2ccc(OC)cc2)no1 489617205 JKSNSCVDGKTFRM-GFCCVEGCSA-N 304.415 4.506 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1cnn(CCC(C)C)c1C(C)C 490532958 BLVNEARSPVGOAT-GOSISDBHSA-N 305.466 4.593 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCc2cc(Cl)ccc21 515319442 CLSMMRIMUSZJCR-WOJBJXKFSA-N 322.839 4.866 30 20 DJED Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cc1C 521770075 ZFUBYVVURGMROK-IBGZPJMESA-N 320.436 4.596 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1CCC(Cc2ccc(F)cc2)CC1 522832939 AOEGEEQGYMPSOU-INIZCTEOSA-N 322.427 4.713 30 20 DJED C=CCN(C(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)c1ccccc1 532874007 VKWOULLBUDLLIC-JZFKGDSASA-N 313.416 4.514 30 20 DJED C[C@@H](Nc1cnccc1C#N)c1cc(F)c(Cl)cc1Cl 539888329 FZLMLDGAXMFLPU-MRVPVSSYSA-N 310.159 4.572 30 20 DJED N#Cc1cccc(SCc2cscc2Br)c1 559631676 ZMUINHWNUDPGTK-UHFFFAOYSA-N 310.241 4.675 30 20 DJED C=CCOc1ccc(CN[C@@H](C)c2nccc3ccccc23)cc1 577803200 GIKTWINRSMXQPL-INIZCTEOSA-N 318.420 4.650 30 20 DJED CCOc1ccccc1CSCc1ccc(C#N)cc1F 588664074 KAPPBIDBRWRGOF-UHFFFAOYSA-N 301.386 4.529 30 20 DJED Cc1cccc(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(C#N)c1 596443400 HHMXVSXGTMJTPX-SFHVURJKSA-N 319.408 4.544 30 20 DJED Cc1cc(Oc2ccccc2)ccc1NC[C@H](O)CC(C)(C)C#N 598726953 YXHCXUBVGJAPLX-MRXNPFEDSA-N 324.424 4.500 30 20 DJED CCC1CCC(CNCc2cccc(OCCCC#N)c2)CC1 609222566 RMGNZJHXZFNPAT-UHFFFAOYSA-N 314.473 4.675 30 20 DJED CCc1cccc(NC(=O)CS[C@H](C)c2ccc(C#N)cc2)c1 609825525 CKSAFCOCPVOHQD-CQSZACIVSA-N 324.449 4.554 30 20 DJED C=CC[C@H]1N(C(=O)c2cccc(-c3cnco3)c2)CCCC1(C)C 614054153 CBFZFWQVFFSWQL-GOSISDBHSA-N 324.424 4.549 30 20 DJED Cc1cccc2c1C/C(=C\c1cccc(C(F)(F)F)c1)C2=O 729149121 CMHTWOUTYPABNB-MDWZMJQESA-N 302.295 4.836 30 20 DJED Cc1cc(C)cc(C(=O)/C=C\c2ccccc2OC(F)F)c1 730436411 KQWWAVVHQHTROG-FPLPWBNLSA-N 302.320 4.801 30 20 DJED C=CCN(C(=O)Nc1ccc(COC2CCCC2)cc1)C(C)C 740464744 JSAYJNJGACWIOJ-UHFFFAOYSA-N 316.445 4.574 30 20 DJED CCCCCC[C@H](C)C(=O)N(Cc1ccc(C#N)cc1)C(C)C 741898982 JXRMWEBJLBYPPX-KRWDZBQOSA-N 314.473 4.902 30 20 DJED Cc1ccc(-c2nc(/C=C/C(=O)c3ccc(O)c(C)c3)co2)cc1 749891031 GWDHMRTVBREIAW-CSKARUKUSA-N 319.360 4.560 30 20 DJED CCSc1ccc(C(=O)/C=C/c2c(C)nn(CC)c2C)cc1 755605016 URPRLPXVKCNPJY-VAWYXSNFSA-N 314.454 4.528 30 20 DJED CCc1ccc(C(=O)/C=C\c2nc(C(C)C)n3ccccc23)o1 762599763 BOGGKRZMIAVKHQ-KTKRTIGZSA-N 308.381 4.509 30 20 DJED CC(=O)Nc1ccc(C(=O)/C=C/c2ccc(C)c(Cl)c2)cc1 766488899 AFDBWQWIZFIHNF-BJMVGYQFSA-N 313.784 4.503 30 20 DJED Cc1ccc(/C=C/C(=O)c2cnn(C(C)C)c2C)cc1Cl 766492111 VFTGHPHFJWSWLU-BQYQJAHWSA-N 302.805 4.630 30 20 DJED Cc1nc(C2CCCCC2)sc1C(=O)O[C@@H](C)C(C)(C)C#N 775265579 RLEXVKGXWVZYGE-LBPRGKRZSA-N 320.458 4.594 30 20 DJED N#CC1(COC(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1 775837185 UXLVRCXULKNHNW-UHFFFAOYSA-N 317.797 4.529 30 20 DJED Cc1ccccc1C(C)(C)CN[C@H](C)c1ccc(OCC#N)cc1 776158625 YNTBQCWKZWPVFS-QGZVFWFLSA-N 322.452 4.526 30 20 DJED C#CCCCCC(=O)Nc1ccccc1Nc1ccc(F)cc1 777503331 ZYRDMJGCHNHHHH-UHFFFAOYSA-N 310.372 4.701 30 20 DJED C#CCC1(C(=O)Nc2cc(-c3ncco3)ccc2C)CCCCC1 788457408 ZGOAGTKBDAGDHH-UHFFFAOYSA-N 322.408 4.562 30 20 DJED CCCCCCCCCN(C)C(=O)C(C)(C)C1CCOCC1 795015911 LHTOJGBPCQIUEP-UHFFFAOYSA-N 311.510 4.648 30 20 DJED C/C(=C\C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)C(C)(C)C 797566255 DBNXDGHIRCMPAP-OBIHZWKSSA-N 304.459 4.609 30 20 DJED CC[C@H](Nc1nc(Cl)c(C#N)s1)c1cccc(Cl)c1 804522675 CCKPQQCANSJTBX-JTQLQIEISA-N 312.225 4.885 30 20 DJED C#CC[C@H](N[C@@H](C)c1cc(Cl)cc(C)c1O)c1ccccc1 808709025 SOXDUZHHKQCGID-KSSFIOAISA-N 313.828 4.769 30 20 DJED CCCCCCCCCC(=O)Nc1cccc2nc(O)oc12 811596674 PPHLWWXWUDWJKO-UHFFFAOYSA-N 304.390 4.613 30 20 DJED CCC(=NNc1ccc(Cl)nn1)C12CC3CC(CC(C3)C1)C2 811629663 AJSRLEJLAROEMU-UHFFFAOYSA-N 318.852 4.524 30 20 DJED C#Cc1cccc(N(C)C(=O)c2ccc(C3=CCCC3)cc2)c1 811892039 JMLFIGPOBKQISH-UHFFFAOYSA-N 301.389 4.512 30 20 DJED CCCCCCCCC(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 836997705 IXWLXHLDQJNAIJ-HZPDHXFCSA-N 323.502 4.835 30 20 DJED CCCC[C@@](C)(F)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 850829426 KCHJCKPCABTLMJ-MEDUHNTESA-N 322.380 4.530 30 20 DJED C=CC(C)(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N 878786870 PIWJRPKKARGMPM-CYBMUJFWSA-N 302.443 4.622 30 20 DJED COc1cc(C(C)=O)ccc1SCCCCC1(C#N)CCC1 901518764 BIQZUWKDOZZWNW-UHFFFAOYSA-N 317.454 4.854 30 20 DJED C=CCN(C(=O)Nc1ccccc1-c1cccs1)C(C)C 916707155 VAZPEHSOUUVMAW-UHFFFAOYSA-N 300.427 4.843 30 20 DJED CC(CC(C)(C)c1ccccc1)=NNc1ncccc1Cl 917546535 PTXQQZDIFONRTP-UHFFFAOYSA-N 301.821 4.891 30 20 DJED CC(C)(CC(=O)OCc1cc(C#N)ccc1F)C1CCCCC1 1126764106 OEXYZQYKJWIMPP-UHFFFAOYSA-N 317.404 4.737 30 20 DJED CC[C@@H](CSc1ccccc1)Nc1nc(C#N)c(Cl)s1 1162873532 KTNWRWFOXREXDC-JTQLQIEISA-N 323.874 4.651 30 20 DJED Cc1cc(C#N)cc(NCc2cnc(-c3ccsc3)s2)c1 1178945775 YZIVFPPFBSIIPU-UHFFFAOYSA-N 311.435 4.664 30 20 DJED CCCN(c1cccc(F)c1C#N)[C@H](C)c1ccccc1OC 1185065062 NNGKGLIAKMDYBH-CQSZACIVSA-N 312.388 4.684 30 20 DJED N#Cc1ccc(CNCc2ccc(-c3cccs3)cc2)cc1 1203061849 IZNOFGNQOAZZHY-UHFFFAOYSA-N 304.418 4.577 30 20 DJED N#CC1(CN[C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CCC1 1206328995 RGEJPUQUYHSKAU-DOTOQJQBSA-N 302.849 4.650 30 20 DJED Cc1c(C(=O)O[C@H](C)c2cccc(C#N)c2)oc2c(F)cccc12 1266016533 FYYGUWGXLJNMCF-GFCCVEGCSA-N 323.323 4.670 30 20 DJED Cc1nc(N2CC[C@H](C(C)(C)C)C[C@@H]2C)c(Cl)cc1C#N 1307133789 XWUXHMKKMHHARN-FZMZJTMJSA-N 305.853 4.566 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1Cl)c1ccc(Cl)c(F)c1 1326072311 ZMGFCGRAKLGPFO-SNVBAGLBSA-N 323.198 4.855 30 20 DJED C=CCC1(c2nnc(-c3cccc4ncccc34)o2)CCCC1 1327043331 YXHIRXUFAJNIKS-UHFFFAOYSA-N 305.381 4.673 30 20 DJED CCC(C)(C)c1ccc(C(=O)Nc2cccc(C#N)c2C)cc1 1355858827 UKVXEVZZWPZPQR-UHFFFAOYSA-N 306.409 4.807 30 20 DJED N#C[C@@H](c1ccccc1)N1CCc2cc(-c3ccccc3)oc2C1 1459734236 MVBHHQQBHOQJFW-IBGZPJMESA-N 314.388 4.570 30 20 DJED N#CC[C@H](C(=O)Nc1cccc2ccsc12)c1ccccc1 1519668925 UVNIJZQRKQCWIG-HNNXBMFYSA-N 306.390 4.537 30 20 DJED CC(C)(C#N)c1ccccc1CN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 1559772056 NRTVILKVAFYCBZ-PLMTUMEDSA-N 310.485 4.792 30 20 DJED CN(C(=O)Nc1ccc(C#N)cc1)C1CC(C)(C)CC(C)(C)C1 1562052946 LVHFYNZSWCEZIM-UHFFFAOYSA-N 313.445 4.627 30 20 DJED N#Cc1ccc(CN(c2ccc(F)cc2)C2CCCC2)s1 1616066536 HHORHTCONYPBSW-UHFFFAOYSA-N 300.402 4.708 30 20 DJED CC(C)(C)[C@H]1CCC[C@H]1Nc1nc(C(F)(F)F)ccc1C#N 1651137901 DFCZZPIJGBVRTJ-NWDGAFQWSA-N 311.351 4.599 30 20 DJED Cc1ccc(-c2ccc(CNc3cccc(CC#N)c3)o2)cc1 1657978111 RGWYFMUWEWEVLZ-UHFFFAOYSA-N 302.377 4.933 30 20 DJED CCCCCCC[C@H](CC(=O)O)NC[C@@H]1C(C)=CCC[C@@H]1C 1776783316 OTCNMFRFJKMODX-RCCFBDPRSA-N 309.494 4.772 30 20 DJED N#Cc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1 10807716 IZYPXSVLSNZLID-UHFFFAOYSA-N 313.356 4.505 30 20 DJED CCN(Cc1ccccc1C#N)[C@H](C)c1cc2ccccc2o1 64348906 XDAGFBAUPQXZDX-OAHLLOKOSA-N 304.393 4.888 30 20 DJED COc1cccc(/C=C\C(=O)c2ccc3ccccc3c2)c1OC 96551527 MCYLJGPKWPDNFI-SEYXRHQNSA-N 318.372 4.753 30 20 DJED N#Cc1ccc(CNc2ccccc2CCC(F)(F)F)s1 153749407 CQTRBSRABUQKHE-UHFFFAOYSA-N 310.344 4.727 30 20 DJED N#CCC[C@H](Nc1cc(C(F)(F)F)ccn1)c1ccccc1 164331342 BVJSQLACJONVQP-AWEZNQCLSA-N 305.303 4.557 30 20 DJED Cc1cc(C#N)ccc1CSc1cccc(Br)c1 166000862 ZEMSUYZBOOFKQY-UHFFFAOYSA-N 318.239 4.922 30 20 DJED C=CCCC[C@@H](C)NC(=O)C[C@@H](c1ccccc1)C(F)(F)F 182632027 ZCNFHHPCPONIGF-HIFRSBDPSA-N 313.363 4.584 30 20 DJED C[C@@H](NC1CC(C#N)(c2ccccc2)C1)c1ccccc1Cl 315715771 USBVTDWTQLRSBQ-ICXUMSERSA-N 310.828 4.615 30 20 DJED Cc1cc(C)c2nc(N=C(O)[C@@H]3CCC(=O)[C@@H](C)C3)sc2c1 328910166 NGGHMSRMRAHOKN-CMPLNLGQSA-N 316.426 4.506 30 20 DJED Cc1c(CN[C@@H]2CCc3ccc(C#N)cc32)oc2ccc(F)cc12 353261392 GNFCCHIVQBYTJD-GOSISDBHSA-N 320.367 4.529 30 20 DJED Cc1csc([C@H](C#N)C(=O)c2cscc2-c2ccccc2)n1 355138472 WQPGOIJOGXGUPZ-CYBMUJFWSA-N 324.430 4.670 30 20 DJED N#Cc1ccc(CSCc2csc(C3CC3)n2)c(Cl)c1 438875649 HJOZQLHHDWWJQZ-UHFFFAOYSA-N 320.870 4.979 30 20 DJED COCCCC[C@@H](NC1CCC(C)(C#N)CC1)c1ccccc1 449291762 AETZEAIQICPQCY-IOJLRTSASA-N 314.473 4.606 30 20 DJED Cc1ccccc1[C@@H](C)c1noc([C@@H](C)c2cccc(C#N)c2)n1 463062851 ZNSLBRLDMDKTFY-LSDHHAIUSA-N 317.392 4.553 30 20 DJED C=C[C@@H](CC(=O)NCc1c(C)oc2ccccc12)c1ccccc1 466611722 VPWDWGNWVHZGBJ-INIZCTEOSA-N 319.404 4.717 30 20 DJED CCCC[C@H](CC)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 468362964 RJBXCNXBLNNQMM-WDSOQIARSA-N 312.457 4.501 30 20 DJED N#CC[C@@H](CC(=O)N(CC1CC1)C1CCCCC1)c1ccccc1 475590789 SANBBJFUUHICLC-IBGZPJMESA-N 324.468 4.645 30 20 DJED C=CCC[C@H](NCc1ccc(Br)o1)c1ccccc1 480303568 CAIORFQHKYZBQW-HNNXBMFYSA-N 320.230 4.839 30 20 DJED C[C@@H](NCCCCc1ccc(F)c(F)c1)c1cccc(C#N)c1 480699812 PIXYOXZKPUMUHU-CQSZACIVSA-N 314.379 4.510 30 20 DJED C=CCSc1ccccc1C(=O)N[C@H](C)c1cc(C)oc1C 485456356 RRALLPJYOXYHOQ-CYBMUJFWSA-N 315.438 4.666 30 20 DJED C=CCCCCCS[C@@H](C)c1ccc(S(C)(=O)=O)cc1 485564952 AGWUPPMNGGAFFP-AWEZNQCLSA-N 312.500 4.631 30 20 DJED CC[C@@H](c1ccccc1)N(CC(C)C)C(=O)c1cccc(C#N)c1 518392834 YOOXXHHPLNFKRM-FQEVSTJZSA-N 320.436 4.808 30 20 DJED C=CCN(C(=O)C1CCCCCC1)c1nc2c(s1)CCCC2 522390687 TWKVJXVDFIFLRR-UHFFFAOYSA-N 318.486 4.511 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc2nc(C(F)F)sc2c1 552723123 VFZDHINSNKMEMY-UHFFFAOYSA-N 322.380 4.941 30 20 DJED CC(C)Cc1nsc(Oc2ccc(C#N)c3ccccc23)n1 559007772 MNMUDBZHCAZBEZ-UHFFFAOYSA-N 309.394 4.554 30 20 DJED C[C@@H](CCSc1ccccc1)N1CCC(CCC#N)CC1 563066131 JYHCUEJDDGEXEN-INIZCTEOSA-N 302.487 4.573 30 20 DJED CC(=C/c1ccccc1OC(F)F)/C=C/c1ccncc1C#N 582035358 YUXXAHJROISDOW-OZGSBZGKSA-N 312.319 4.671 30 20 DJED C=CCOc1ccc(CN[C@@H](C)Cc2ccsc2)cc1Cl 589643511 XYBQLHFGTFGQHM-ZDUSSCGKSA-N 321.873 4.687 30 20 DJED C[C@@H](NCc1cnc(-c2ccccc2)s1)c1cccc(C#N)c1 610344646 CNWIPNVDTXJZLN-CQSZACIVSA-N 319.433 4.533 30 20 DJED C=CCC1(N[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)CCOCC1 668551817 XRUBVDMBOJEZKU-CABCVRRESA-N 307.865 4.547 30 20 DJED CCCCC[C@@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1 728007578 NVIGLZYALIEYHS-HXUWFJFHSA-N 320.436 4.804 30 20 DJED COc1ccc(/C=C/C(=O)c2sccc2C)c(Cl)c1OC 733749334 JSHZQGMQPWDTDH-GQCTYLIASA-N 322.813 4.623 30 20 DJED CC(C)(C)c1ncc(/C=C2\CCc3sccc3C2=O)s1 736433689 JIARYULTEGPMMV-CSKARUKUSA-N 303.452 4.715 30 20 DJED CCCCC[C@@H](C)CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 744159888 HVWDCZHERHYXCL-HIFRSBDPSA-N 311.429 4.654 30 20 DJED CC[C@H](C)c1ccc(C(=O)N(CC)c2ccc(C#N)cc2)cc1 753178813 VJMRVSGAEMYUQE-HNNXBMFYSA-N 306.409 4.738 30 20 DJED CC(=NNc1ccc(F)cc1C)c1c(Cl)cccc1[N+](=O)[O-] 758129681 QOKUIBJYGQNWJC-UHFFFAOYSA-N 321.739 4.532 30 20 DJED CCCCCCCC[S@](=O)Cc1ncccc1C(F)(F)F 761597875 WGKARFURHRMMEY-NRFANRHFSA-N 321.408 4.710 30 20 DJED C=CCN(C(=O)CCCCCO[C@@H]1CCC[C@H](C)C1)C(C)C 766347693 ZFODYVFPMIXKAR-ZWKOTPCHSA-N 309.494 4.565 30 20 DJED CC(C)(C#N)CCCCOC(=O)c1ccc2sccc2c1 768769699 KHSUTWOYBWMEER-UHFFFAOYSA-N 301.411 4.778 30 20 DJED CC(C)c1nc(C(=O)/C=C\c2ccc(O)c(Cl)c2)cs1 771746330 ZJNLAISFQIUFPL-XQRVVYSFSA-N 307.802 4.522 30 20 DJED CC(C)OCc1ccc(N[C@@H](C)c2ccc(C#N)c(F)c2)cc1 776873408 NKIRGNKPTKWYNY-AWEZNQCLSA-N 312.388 4.795 30 20 DJED O=C(/C=C/c1csc([N+](=O)[O-])c1)c1cc2ccccc2s1 780189099 TUFPNWIKPWRRJA-AATRIKPKSA-N 315.375 4.767 30 20 DJED C[C@@H](C#N)Oc1ccc(CNc2ccc(C3CCC3)cc2)cc1 785547220 KREHHCATUSYNFQ-HNNXBMFYSA-N 306.409 4.857 30 20 DJED C=CCC[C@@H](C(=O)Nc1ccc(Cl)nc1C)c1ccccc1 790251093 WPRHCBRTFJSJIO-OAHLLOKOSA-N 314.816 4.732 30 20 DJED CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2CCCCCCC2)s1 797567179 ZGVZASNPSHUSQX-AWEZNQCLSA-N 318.486 4.977 30 20 DJED C[C@H](C#N)Oc1ccc(CNc2ccccc2NC(C)(C)C)cc1 798500421 OMYYUHXVRHYSMC-OAHLLOKOSA-N 323.440 4.800 30 20 DJED c1nc(NN=C2CCCCC23CCCC3)c2ccsc2n1 814765514 IPOXAPPNYDUDAX-UHFFFAOYSA-N 300.431 4.594 30 20 DJED CC(C)(C#N)[C@H]1CCCC1=NOc1ccccc1C(F)(F)F 814887173 GGHGDAZETRDIGB-NSHDSACASA-N 310.319 4.790 30 20 DJED FC(F)(F)c1ccccc1CON=Cc1ccc(Cl)cc1 836691515 RKDFOMNKXBHXJV-UHFFFAOYSA-N 313.706 4.910 30 20 DJED CC(C)(C)c1ncc(/C=C\C(=O)c2cccc(C3CC3)c2)cn1 840719423 IXDYYIOCFHPENB-YFHOEESVSA-N 306.409 4.548 30 20 DJED CCCCCCCC(=O)N(Cc1ccccc1)c1ccccn1 920972735 QWXLWXCNIAUZMS-UHFFFAOYSA-N 310.441 4.975 30 20 DJED COc1ccc2cc(/C=C3/Cc4c(F)cccc4C3=O)ccc2c1 921263463 DQFUEMLNKBLMIX-YBEGLDIGSA-N 318.347 4.810 30 20 DJED C[C@H](OC(=O)CC1CC(c2ccccc2)C1)c1cccc(C#N)c1 1127021572 LRRQTYQCQGYDSK-FVWXCPNNSA-N 319.404 4.746 30 20 DJED CCc1ccc([C@@H](C#N)N(C)C(=O)C[C@@H](C)CC(C)(C)C)cc1 1129379419 LFZXSQGJYUVVJZ-CRAIPNDOSA-N 314.473 4.734 30 20 DJED CCC[C@H]1CCCC[C@@H]1CNC(=O)Nc1cc(C#N)ccc1C 1201424629 YCEKTOZTSHUIKL-DLBZAZTESA-N 313.445 4.595 30 20 DJED CCCc1ccc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)s1 1204360741 WPJAQKCFXFMXDO-UXHICEINSA-N 324.493 4.972 30 20 DJED CC[C@@H](NCc1ccc(C#N)cc1Cl)c1ccc(C)c(F)c1 1307611604 QKLQGELHZHGYBA-GOSISDBHSA-N 316.807 4.900 30 20 DJED N#CC1CCC(CNCc2ccc(-c3cccs3)cc2)CC1 1308382930 CPBLHVJXWOPRQE-UHFFFAOYSA-N 310.466 4.835 30 20 DJED CC(C)c1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 1308441872 QNAFXEBNDKOMKL-OAQYLSRUSA-N 304.437 4.849 30 20 DJED CC(C)CN(C(=O)CCC1CCCCC1)c1ccc(C#N)cc1 1349943833 FRVSWKDJAWJOKU-UHFFFAOYSA-N 312.457 4.908 30 20 DJED N#CC1(CSCc2ccc(Br)cc2)CCCC1 1458781782 LYKIWEFXCDVAHH-UHFFFAOYSA-N 310.260 4.766 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1cccc2ncccc12 1459306991 CHKUZKDVCIKHJF-UHFFFAOYSA-N 315.420 4.519 30 20 DJED C[C@@H](CCC#N)N1CCC[C@@H](Cc2csc3ccccc23)C1 1459899880 VUYWHRXYQHPFTE-HOTGVXAUSA-N 312.482 4.848 30 20 DJED Cc1cc(C#N)ccc1CN1[C@@H](C)[C@@H](c2ccccc2)C[C@H]1C 1460165768 ZRFHDHCBKZKCNI-WWMYMODYSA-N 304.437 4.633 30 20 DJED CCC[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 1522032364 MBVALBOTIBDSRM-KRWDZBQOSA-N 312.800 4.734 30 20 DJED C[C@H](OC(=O)[C@@H](C)c1cc2ccccc2o1)c1ccc(C#N)cc1 1533618979 IZEPCWFUQKLMJZ-KBPBESRZSA-N 319.360 4.712 30 20 DJED CC[C@H](C#N)N(CC)C(=O)c1sc2cc(C)c(C)cc2c1C 1538757491 ODBIXBWPTZOBLJ-CQSZACIVSA-N 314.454 4.591 30 20 DJED Cc1ccc(C[C@H]2CCCN([C@@H](C)c3cccc(C#N)c3)C2)cc1 1559511132 FMECDNCTDBRMMB-GHTZIAJQSA-N 318.464 4.882 30 20 DJED CCSc1cccc(CN(C)[C@@H](C)c2cccc(C#N)c2)c1 1560897504 DITNOROPYNXCFM-HNNXBMFYSA-N 310.466 4.863 30 20 DJED CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1cc2ccccc2cc1C#N 1597229654 YJGVTNYHEPFFPK-DOTOQJQBSA-N 306.409 4.722 30 20 DJED Cc1cccc(CSc2cccc(C#N)c2)c1Br 1613584358 TYGCCANIKMXNGP-UHFFFAOYSA-N 318.239 4.922 30 20 DJED Cc1ccc([C@@H](C)N(C)c2nc(C(C)(C)C)ccc2C#N)cc1 1642088610 XMSZFQBJRNHDQA-OAHLLOKOSA-N 307.441 4.757 30 20 DJED CCc1nnc(SCC2(C)CCCCC2)c(C#N)c1CC 1642707331 PHYDKWWXOYSPDN-UHFFFAOYSA-N 303.475 4.536 30 20 DJED CN(Cc1c(Cl)cccc1Cl)[C@H](C#N)c1ccccc1 1644423471 URWIVWUYINZRSI-MRXNPFEDSA-N 305.208 4.690 30 20 DJED CCCCN(CCc1ccc(C#N)cc1)Cc1ccccc1F 1644504619 NNXKENNPSSJTGM-UHFFFAOYSA-N 310.416 4.542 30 20 DJED Cc1ccnc(N2CCC[C@H](CCCc3ccccc3)C2)c1C#N 1651664551 KXAZCNOIPJOWRV-IBGZPJMESA-N 319.452 4.501 30 20 DJED N#Cc1cccc(Nc2ccc(CCCc3ccccc3)cc2)n1 1655080210 FBYJBXWQQJELLZ-UHFFFAOYSA-N 313.404 4.872 30 20 DJED CCN(Cc1ccc(C)cc1)Cc1ccccc1C(C)(C)C#N 1657080938 QVZRDWIXHLIBCM-UHFFFAOYSA-N 306.453 4.818 30 20 DJED CC(=NNc1c(Cl)cccc1Cl)c1ccc(C(=O)O)cc1 1776048898 KOGWIMALDAMXFQ-UHFFFAOYSA-N 323.179 4.528 30 20 DJED CCCCCCC[C@H](CC(=O)O)NC[C@H]1CCCC(C)(C)C1 1776783355 SOZCJQVMYCBSFX-DLBZAZTESA-N 311.510 4.996 30 20 DJED COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(Cl)n2)cc1 83204560 UHGVDTZAAZRFDA-UHFFFAOYSA-N 320.779 4.949 30 20 DJED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCC2 90664903 JLRPATNCLFUYEG-KKSFZXQISA-N 304.437 4.871 30 20 DJED C=C[C@H](CC(=O)N1CCC[C@H]1c1ccsc1)c1ccccc1 153716818 NCJZHLLDXBYTKK-QAPCUYQASA-N 311.450 4.772 30 20 DJED CC(C)(C#N)CCCSCc1coc(-c2cccs2)n1 161377750 GCRQLPDAJBZEBW-UHFFFAOYSA-N 306.456 4.966 30 20 DJED CCCCSc1ccc(Cl)cc1C(=O)N[C@H](CC)CC#N 183831079 DEENNNYFDHNDFC-CYBMUJFWSA-N 324.877 4.654 30 20 DJED Cc1cc([C@@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)c(C)s1 193016890 ZWRRMMJWIUXTDD-UONOGXRCSA-N 314.454 4.679 30 20 DJED COc1cccc(/C=C\C(=O)c2ccc(Cl)cc2Cl)c1 210469264 GQMNYPOMIRUVCM-YVMONPNESA-N 307.176 4.898 30 20 DJED Cc1c(Cl)cccc1NC(=O)[C@H](C)SCCC(C)(C)C#N 289400838 NFTHXTCBCNDWAU-LBPRGKRZSA-N 324.877 4.649 30 20 DJED C[C@H](Nc1cc(C#N)ccc1C(F)(F)F)c1ccc(C#N)cc1 302252299 XEQOQISSRTZKRV-NSHDSACASA-N 315.298 4.622 30 20 DJED CCCCCOc1ccc(CNc2ccc(OCC#N)cc2)cc1 324151761 MGDYYENCJBOSFA-UHFFFAOYSA-N 324.424 4.770 30 20 DJED CC(C)c1ccsc1/C(O)=N/Cc1nnc(C(C)(C)C)s1 330963432 ZFMJVHXKQJVRNI-UHFFFAOYSA-N 323.487 4.525 30 20 DJED N#CCC[C@H](NCc1cscc1C(F)(F)F)c1ccccc1 356130716 CPZHYHMEBPUODC-HNNXBMFYSA-N 324.371 4.902 30 20 DJED N#C[C@H]1CC[C@@H](N[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 424327917 NHSWYEIGSTUNIN-DXEWXGHRSA-N 322.374 4.623 30 20 DJED CC(=O)c1ccccc1OCCSCCCCC(C)(C)C#N 435881751 CEHPPUUEZTZAGK-UHFFFAOYSA-N 319.470 4.721 30 20 DJED C=CCCO[C@H](C)c1nc(-c2ccc(Cl)cc2Cl)no1 445465558 ZXTSIPBOVYAOBP-SECBINFHSA-N 313.184 4.697 30 20 DJED CC[C@@H](NCc1oc2ccc(F)cc2c1C)c1ccc(C#N)cc1 447544702 OXLWSIGKENNDQE-GOSISDBHSA-N 322.383 4.993 30 20 DJED C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1cccc(C2CC2)c1 453247717 OQCGRTBNVDWHJO-QKKBWIMNSA-N 302.421 4.774 30 20 DJED C[C@@H]1CCCCN1Cc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1 463304846 WRQPHKXOLQCJCE-YVWKXTFCSA-N 311.473 4.555 30 20 DJED C=CC[C@@H](C(=O)N[C@@H]1CCCc2sccc21)c1ccccc1 490279860 SGRURBJMAAMHAD-NVXWUHKLSA-N 311.450 4.602 30 20 DJED CCSc1ccc([C@@H](C)Nc2ccc(C#N)cc2F)cc1 505614960 ZLIKLCPFFIKFLM-GFCCVEGCSA-N 300.402 4.982 30 20 DJED C=CCC(CC=C)c1nc(CSCc2ccccc2)no1 546446465 FADZSKCYDHSSFX-UHFFFAOYSA-N 300.427 4.739 30 20 DJED CCCOc1cccc(CN(Cc2ccc(C#N)cc2)C2CC2)c1 549832977 GQAXOBCLLLDQAK-UHFFFAOYSA-N 320.436 4.512 30 20 DJED C[C@H](NCCCc1cccs1)c1ccc(C#N)cc1Cl 557636007 MCFAEFRYLYREDK-LBPRGKRZSA-N 304.846 4.557 30 20 DJED Cc1nc(-c2ccccc2)sc1[C@H](C)NC[C@H](C)CCC#N 602536246 SFFUSEPGUPDUIH-KGLIPLIRSA-N 313.470 4.709 30 20 DJED CCc1cc(C#N)c(NC(=O)c2ccc(CC(C)C)cc2)s1 604029702 CDHYMTFHMOGLNJ-UHFFFAOYSA-N 312.438 4.633 30 20 DJED Cc1ccc2c(c1)[C@@H](NCc1ccc(C#N)c(Cl)c1)[C@H](C)C2 619755918 YUHWHWZMZYXMBY-YJYMSZOUSA-N 310.828 4.543 30 20 DJED CCCCCC[C@@H](C)CC(=O)N[C@@H](C)c1ccc(C#N)cc1 727663977 MDGMIXVJEIUKSA-CVEARBPZSA-N 300.446 4.732 30 20 DJED CCCCc1oc2ccccc2c1C=NNc1ccc(F)cn1 731319408 UUHFWGLPUSVVDN-UHFFFAOYSA-N 311.360 4.756 30 20 DJED CC(CCc1ccccc1F)=NNc1cc(F)c(F)cc1F 734301787 PIEANULYPGFILZ-UHFFFAOYSA-N 310.294 4.664 30 20 DJED CCCCCCCCCC(=O)N1CCOC[C@@H]1c1ccc(C)o1 735025302 OPWRRGVPCYAQJX-QGZVFWFLSA-N 321.461 4.629 30 20 DJED Cc1ccc(C(=O)/C=C\c2cnc3ccc(Cl)cn23)cc1C 737444129 OBWZWZRIZOBEQT-SREVYHEPSA-N 310.784 4.501 30 20 DJED Cc1ccc(C(=O)/C=C/c2coc(-c3ccccc3)n2)c(C)c1 749885874 GPKOTMOBQSKESG-PKNBQFBNSA-N 303.361 4.855 30 20 DJED C[C@@H]1CCC[C@H](CC(=O)[C@@H](C#N)c2ccc3ccccc3n2)C1 750667550 HIWWAXBQSUAKAU-VYDXJSESSA-N 306.409 4.627 30 20 DJED CCCCCCCC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 752034530 QJGKNNHUXYPYQO-OALUTQOASA-N 312.457 4.645 30 20 DJED C[C@@H](OC(=O)c1ccc(-c2ccccc2Cl)o1)C(C)(C)C#N 753621073 RTXBBQJRPCKUIE-LLVKDONJSA-N 317.772 4.695 30 20 DJED N#Cc1ccccc1/C=C\C(=O)c1ccc(Cl)cc1Cl 755570848 OTISCLPDNMDXGS-YVMONPNESA-N 302.160 4.761 30 20 DJED C=CCC(CC=C)C(=O)Oc1ccccc1Oc1ccccn1 758521096 FHRDBIYSPOQRPI-UHFFFAOYSA-N 309.365 4.548 30 20 DJED CCCC[C@@H](CC)Cn1nc(C(C)(C)C)c(CCC#N)c1O 760551330 SYCVPOAFLVTWOF-CQSZACIVSA-N 305.466 4.559 30 20 DJED COc1ccsc1/C=C\C(=O)c1ccccc1C(F)(F)F 764437700 VFUXPUIJHSPWAZ-SREVYHEPSA-N 312.312 4.672 30 20 DJED CCCCCCC[S@](=O)Cc1cc(-c2ccccc2)no1 764438306 MSBQIDINIILCMG-NRFANRHFSA-N 305.443 4.561 30 20 DJED C/C(=C/c1c(Cl)cccc1Cl)C(=O)OCCCCC#N 766794229 NZJFIEZNDOYNMM-KHPPLWFESA-N 312.196 4.634 30 20 DJED C=CC[C@@H]1N(C(=O)c2cc(Cl)c(Cl)[nH]2)CCCC1(C)C 768096035 AXLJUYLFRVFVRM-LBPRGKRZSA-N 315.244 4.528 30 20 DJED C[C@H](C#N)Oc1ccc(CN2CC(C)(C)[C@H]2c2ccccc2)cc1 769087221 ONJAFQGOCPVZFV-OXQOHEQNSA-N 320.436 4.561 30 20 DJED O=C(/C=C/c1ccc(F)nc1)c1ccc(-c2cccs2)cc1 777468903 ZXYJOOZSYHYKRO-YCRREMRBSA-N 309.365 4.845 30 20 DJED Cc1cccc(/C=C\C(=O)c2cc(F)ccc2F)c1OC(F)F 777914810 LTUJBDMJTIAURS-YVMONPNESA-N 324.273 4.771 30 20 DJED Fc1cccc(C2CC(=NNc3ccc4ccccc4n3)C2)c1 781574908 FNTRAENXPKWJJN-UHFFFAOYSA-N 305.356 4.719 30 20 DJED CC(CCc1n[nH]c2ccccc12)=NNc1cc(C)ccc1C 782223103 KTBRGDWZTOXBQT-UHFFFAOYSA-N 306.413 4.600 30 20 DJED CC(C)(C#N)CCCCOC(=O)C1CC(c2ccc(F)cc2)C1 796111420 PKZBTONJOCFDQE-UHFFFAOYSA-N 317.404 4.583 30 20 DJED COc1cc(CNc2ccc(OC3CCCC3)cc2)ccc1C#N 799333906 LVKKVKLLFHVPJD-UHFFFAOYSA-N 322.408 4.500 30 20 DJED CCC(=NNc1nccnc1Cl)C12CC3CC(CC(C3)C1)C2 811644426 YYDHRGJOKZJDAQ-UHFFFAOYSA-N 318.852 4.524 30 20 DJED CCOc1ccccc1C=NOCc1ccc(Cl)c(Cl)c1 849779102 BQXCEOHGBDKMBN-UHFFFAOYSA-N 324.207 4.943 30 20 DJED Cc1c(-c2nc(C3CCCC3)no2)sc2ccc(C#N)cc12 904353981 ZIOLBKPVOCJGJA-UHFFFAOYSA-N 309.394 4.789 30 20 DJED CC(=NNc1nncc2ccccc12)c1ccc(CC(C)C)cc1 915909174 DBDRDGAFQFTHLF-UHFFFAOYSA-N 318.424 4.664 30 20 DJED CCCCn1nc(C)c(/C=C\C(=O)c2cccs2)c1Cl 916136588 UXLXJHFFGTUPPF-FPLPWBNLSA-N 308.834 4.603 30 20 DJED CC(=NNc1cccc(Cl)c1)c1ccccc1OC(F)F 916269578 ZKTMJRSGCSJYHG-UHFFFAOYSA-N 310.731 4.778 30 20 DJED N#Cc1cccc(-c2nnc(-c3cc4c(F)cccc4s3)o2)c1 1117231909 QXGVKNCXXXTEAT-UHFFFAOYSA-N 321.336 4.629 30 20 DJED N#Cc1cc(CN[C@@H]2CCCC[C@@H]2Cc2ccccc2)ccc1F 1169553925 GNHNKHWFHQQPHE-WIYYLYMNSA-N 322.427 4.588 30 20 DJED CC(C)(C)CN(Cc1ccccc1)Cc1cccc(F)c1C#N 1179997738 VHUXEUGVCKULCM-UHFFFAOYSA-N 310.416 4.746 30 20 DJED Cc1ccc(CCC2CCN(c3cccc(F)c3C#N)CC2)cc1 1184710656 MGXJGLKNTOQMQU-UHFFFAOYSA-N 322.427 4.855 30 20 DJED Cc1cc(Oc2ccc(SC(F)(F)F)cc2)ncc1C#N 1186388887 XNMMOWCAGAWXNN-UHFFFAOYSA-N 310.300 4.666 30 20 DJED N#Cc1cc2c(nc1SCc1cccc(Cl)c1)CCCC2 1188565025 MSIBPUXDGXLFSC-UHFFFAOYSA-N 314.841 4.778 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCC(c2ccccc2)CC1 1232605717 FUSBDOSTJHVJKS-UHFFFAOYSA-N 310.828 4.591 30 20 DJED C/C(=C\c1cccc(Cl)c1)c1nnc(-c2cccc(C#N)c2)o1 1322412182 WNZIFKPVNFRSHI-XYOKQWHBSA-N 321.767 4.822 30 20 DJED C[C@H](Nc1nc(C(C)(C)C)ccc1C#N)c1ccc(F)c(F)c1 1458198562 KFSTXYQCTLKOTK-NSHDSACASA-N 315.367 4.702 30 20 DJED Cc1cc(C#N)cc(NC(=O)NC2CC(C)(C)CC(C)(C)C2)c1 1476740799 UDLIBCINISUFMY-UHFFFAOYSA-N 313.445 4.593 30 20 DJED CC(C)[C@H](C(=O)O[C@H]1CCC[C@@H](C#N)C1)c1cccc(Cl)c1 1583565137 CINOEAXYOKXIAU-COXVUDFISA-N 319.832 4.705 30 20 DJED Cc1cc(SCc2ccc(-n3ccnc3)cc2C)ccc1C#N 1614553127 RFDJYFTVMSZPJX-UHFFFAOYSA-N 319.433 4.653 30 20 DJED CCCCN(CCOc1ccccc1C#N)[C@@H](C)c1ccccc1 1615629553 GLDMRTIJYMPEJP-SFHVURJKSA-N 322.452 4.800 30 20 DJED C=C(Cl)CSc1nc2c(n1-c1ccccc1)CCCC2 1643518762 TVEUWRFEYKWKSB-UHFFFAOYSA-N 304.846 4.596 30 20 DJED CC(C)CCC1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 1650847044 FSIRRGZFBJRWLC-UHFFFAOYSA-N 313.489 4.903 30 20 DJED C[C@H](c1cccc(C#N)c1)N1CCC[C@](C)(c2ccccc2)C1 1652475918 DBIXVQXGIQTIAO-UTKZUKDTSA-N 304.437 4.673 30 20 DJED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1c(C)cccc1C 56547289 GAOPLQQOEBYSIB-UHFFFAOYSA-N 324.424 4.532 30 20 DJED CC[C@H](C)CSCC(=O)c1cn(CCC#N)c2ccccc12 124395674 RPZUYLXGNRGEAM-AWEZNQCLSA-N 314.454 4.517 30 20 DJED C=C[C@@H](CC(=O)Nc1ccccc1OC(F)F)c1ccccc1 128518563 OFEXMFBVBQXQNS-ZDUSSCGKSA-N 317.335 4.586 30 20 DJED CC(C)COc1cccc(NCc2ccc(O[C@@H](C)C#N)cc2)c1 177553438 GADPPHKZIBTGCN-INIZCTEOSA-N 324.424 4.624 30 20 DJED CCCCCCCCCC(=O)N1CCC([C@H]2CCCO2)CC1 187536647 DLHFCELIAVEJTD-GOSISDBHSA-N 309.494 4.545 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 188383856 PXORBMSTCCMHDW-LJQANCHMSA-N 316.445 4.520 30 20 DJED N#Cc1cccc(/C=C\C(=O)c2cc3cc(Cl)ccc3o2)c1 208312808 JFBFJJWZPHBQGE-XQRVVYSFSA-N 307.736 4.854 30 20 DJED COc1ccccc1/C=C\C(=O)c1ccc(Cl)cc1Cl 210469659 QCSPOJSUAFKXCJ-TWGQIWQCSA-N 307.176 4.898 30 20 DJED CC(C)c1cccc(NCc2ccc(N(C)CCC#N)cc2)c1 236792819 AYTVYRWVJXLGON-UHFFFAOYSA-N 307.441 4.772 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@@H]1/N=C(/O)c1ncc(C#N)cc1Cl 331188079 KESSKYVFBXTBDQ-OCCSQVGLSA-N 319.836 4.516 30 20 DJED Cc1ccc(C#N)c(Oc2ccc(Sc3ccncc3)cc2)n1 341852652 KOOSHCKTWFQVEV-UHFFFAOYSA-N 319.389 4.600 30 20 DJED C=CCC[C@H](N[C@@H](C)c1ncc[nH]1)c1ccc(C(F)(F)F)cc1 353616592 BNXLWUDDJSRSPM-WFASDCNBSA-N 323.362 4.787 30 20 DJED CC[C@H](N[C@H]1CCCc2ccc(F)cc21)c1ccc(C#N)cc1 359026064 DSPMLDZLFVJQRA-PMACEKPBSA-N 308.400 4.816 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1ccc(-c2ccccc2F)o1 431860828 RQVHULULXBQEBT-UHFFFAOYSA-N 320.323 4.518 30 20 DJED N#Cc1ccc(NCC[C@@H](c2ccccc2)C(F)(F)F)cc1 432143559 PCUJJELZSNBBAG-INIZCTEOSA-N 304.315 4.706 30 20 DJED N#CCCCNC1CCC(c2cccc(C(F)(F)F)c2)CC1 432428451 LFIQWTWLVHVVRD-UHFFFAOYSA-N 310.363 4.625 30 20 DJED C=CCCN(C)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 466982190 ZPVNQTWYKFZCQO-FQEVSTJZSA-N 322.452 4.578 30 20 DJED CC[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(OCCCC#N)c1 474962340 CBMAWGQGGOMDRR-CRAIPNDOSA-N 314.429 4.524 30 20 DJED Cc1ccc(-c2ccc(C)c(NC(=O)c3ccc(C#N)cc3)c2)o1 477573252 BNGUAXIBKNBAJC-UHFFFAOYSA-N 316.360 4.687 30 20 DJED C=CC[C@H](C(=O)Nc1cc(Cl)ccc1F)c1ccccc1 487581491 FSJHHJMFGVLERI-AWEZNQCLSA-N 303.764 4.778 30 20 DJED C=C(C)CCN(CCC)Cc1nnc(-c2ccccc2Cl)o1 509008160 VZJPJESHHRBMEJ-UHFFFAOYSA-N 319.836 4.568 30 20 DJED C=CCCCn1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O 524850558 XYGPQGADOLPHAN-UHFFFAOYSA-N 324.449 4.708 30 20 DJED C=CCC[C@H](Nc1cccc(OCc2cccnc2)c1)C1CC1 538495040 ISYKYYOYHAVPBT-FQEVSTJZSA-N 308.425 4.817 30 20 DJED CC(C)[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 571129177 GQLLBSPCNVNGAR-PMACEKPBSA-N 308.400 4.672 30 20 DJED CC(C)c1ccc([C@H]2CCCN2C(=O)CCCCCC#N)cc1 588660913 YOKXVKQDKSYWNH-LJQANCHMSA-N 312.457 4.948 30 20 DJED C[C@@H]1CC[C@@H](C(F)(F)F)CN1CCC1(C#N)CCCCC1 591026243 WXDUVLILMWWYPF-ZIAGYGMSSA-N 302.384 4.513 30 20 DJED CC[C@@H](CC#N)N[C@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 597085670 GUIPCWZQJFLRCM-PWSUYJOCSA-N 318.770 4.572 30 20 DJED C=CCCCCCN(C)C(=O)c1cc(C2CC2)nc2ccccc12 606883978 VOOPGKSCSSYGSX-UHFFFAOYSA-N 322.452 4.931 30 20 DJED C=CCC1(N[C@H](C)[C@H](C)c2ccc(Cl)cc2)CCOCC1 668551820 XRUBVDMBOJEZKU-LSDHHAIUSA-N 307.865 4.547 30 20 DJED Oc1ccccc1C=Nc1cc(Br)ccc1Cl 727265254 MGTDXDOBHZBERC-UHFFFAOYSA-N 310.578 4.559 30 20 DJED CCC[C@H](/N=C/c1c(O)ccc2ccccc12)c1ccccn1 729150395 VBTKFRCVSHWPBM-OVBDPADQSA-N 304.393 4.901 30 20 DJED C=CCN(C(=O)C[C@H](Cc1ccccc1)c1ccccc1)C(C)C 741898169 CXCYWFLFNJWJTH-NRFANRHFSA-N 321.464 4.826 30 20 DJED Cc1cc(O)c(CN(Cc2ccc(C#N)cc2)CC(C)C)cc1C 746056090 SJBWUDDBTJTPCS-UHFFFAOYSA-N 322.452 4.539 30 20 DJED O=C(/C=C/c1ccc(Cl)nc1)c1cc(Cl)sc1Cl 748998588 MXMLMVHZHDAZMR-HNQUOIGGSA-N 318.612 4.999 30 20 DJED N#Cc1ccccc1/C=C/C(=O)c1cc2cc(Cl)ccc2o1 755587924 VEKCTQFXAVYSBN-FNORWQNLSA-N 307.736 4.854 30 20 DJED C(=NNc1cccc2ccccc12)c1cnc([C@H]2CCCO2)s1 755679068 BRYSNAJFEHUDER-QGZVFWFLSA-N 323.421 4.594 30 20 DJED C#CCC(C)(C)C(=O)Nc1ccc(SC(C)(C)C)cc1C 767079904 YTGREKYNODLDID-UHFFFAOYSA-N 303.471 4.874 30 20 DJED Cc1ccc([C@H]2CCC[C@@H]2Nc2cccc(OCC#N)c2)cc1 768518994 LBFKRAHQMCENLG-UXHICEINSA-N 306.409 4.646 30 20 DJED FC(F)(F)c1cccc(CCCC=NO[C@@H]2CCCCO2)c1 769799931 PTFXPEVQYYHPJJ-OAHLLOKOSA-N 315.335 4.557 30 20 DJED C[C@H](C#N)CNN=Cc1c2ccccc2c(Cl)c2ccccc12 771114011 ZDMHNOZZCIAQNM-CYBMUJFWSA-N 321.811 4.730 30 20 DJED CC(C)(C#N)CCOC(=O)c1sc2ccccc2c1Cl 776357532 QEZQFQXNBSVJCS-UHFFFAOYSA-N 307.802 4.651 30 20 DJED C=CCC[C@H](C(=O)OCc1cccc(Cl)n1)c1ccccc1 778553254 VCHVWUURSLKHHX-INIZCTEOSA-N 315.800 4.528 30 20 DJED FC(F)(F)c1cc(Cl)cc(C=Nn2cnc3ccccc32)c1 780199740 VIGYLERLOBXVDK-UHFFFAOYSA-N 323.705 4.591 30 20 DJED Cc1ccc(C(=O)Nc2ccccc2SC(C)C)cc1C#N 799349660 IDMTYJNZQAJABR-UHFFFAOYSA-N 310.422 4.620 30 20 DJED CC(C)(C#N)[C@@H]1CCCC1=NNc1cccc(C(F)(F)F)c1 814689925 MFTAWTDSEHMQSN-CYBMUJFWSA-N 309.335 4.823 30 20 DJED C=CCC(F)(F)C(=O)N(C1CC1)[C@@H](C)c1ccc(Cl)cc1 815067985 VURMNPRIKXKPAO-NSHDSACASA-N 313.775 4.603 30 20 DJED CCCCCCCC(=O)Nc1nc(CC(F)(F)F)cs1 819296009 JQHHSUHTBXYHTP-UHFFFAOYSA-N 308.369 4.547 30 20 DJED CCC[C@@H]1CCC[C@@H]1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 835042665 WPPFFEYEGUUNFW-PVAVHDDUSA-N 306.409 4.627 30 20 DJED CC[C@H](C#N)Oc1cccc(CNCc2cccc(C(C)C)c2)c1 853085448 NVKMNNWWSFDNTK-HXUWFJFHSA-N 322.452 4.781 30 20 DJED C=CCCO[C@@H](C)C(=O)Nc1ccccc1-c1ccc(C)s1 869833504 PQHSQYBLNKBKEF-AWEZNQCLSA-N 315.438 4.643 30 20 DJED CC[C@@H](N[C@H]1CCSc2ccccc21)c1cccc(C#N)c1 902747233 RRGWTBNVXAKVLF-MSOLQXFVSA-N 308.450 4.836 30 20 DJED CC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1cc(F)ccc1OC 903371421 SKVULVMRCLYZIH-UGSOOPFHSA-N 312.388 4.508 30 20 DJED O=C(/C=C\c1cn2cc(Cl)ccc2n1)c1ccc(Cl)cc1 920755949 VFJZPCLJIJPOCT-SREVYHEPSA-N 317.175 4.537 30 20 DJED CC(C)[C@H](Nc1cccc(CC#N)n1)c1ccc(Cl)cc1F 1116636307 KVOZUDYCICIJQP-KRWDZBQOSA-N 317.795 4.749 30 20 DJED CC[C@@H](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 1124283228 OYSKTPRCXOSPND-NEPJUHHUSA-N 304.459 4.509 30 20 DJED Cc1c(C#N)cccc1C(=O)N1c2ccccc2[C@@H](C)CC1(C)C 1127663385 IQUAJKQHAIZDSE-AWEZNQCLSA-N 318.420 4.799 30 20 DJED CCN(Cc1ccc(Oc2ccccc2)c(F)c1)C[C@H](C)C#N 1190644197 UHRLHVHPEAQTTL-OAHLLOKOSA-N 312.388 4.600 30 20 DJED CCc1ccc2ccccc2c1CNCc1ccc(C#N)cc1 1203603474 QTGAWLSJMUXZJP-UHFFFAOYSA-N 300.405 4.564 30 20 DJED COc1cc(CN2CCCC[C@@H]2c2ccc(C)cc2)ccc1C#N 1204931141 RRJGYWCPFUBDHQ-HXUWFJFHSA-N 320.436 4.603 30 20 DJED Cc1cc(C)c(C#N)c(SCc2cccc(F)c2Cl)n1 1307247348 FOVGLPYMDPWOPV-UHFFFAOYSA-N 306.793 4.655 30 20 DJED Cc1cc(SC[C@H](O)c2cccc3ccccc23)ccc1C#N 1307361347 JZYXFZGKLQYITR-FQEVSTJZSA-N 319.429 4.846 30 20 DJED CCSc1ccc([C@H](C)Nc2ccc(OCC#N)cc2)cc1 1319973782 JYKBXAIXSFTMHY-AWEZNQCLSA-N 312.438 4.874 30 20 DJED Cc1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)c2ccccc12 1361169229 ZLVSEFPOVPVUEM-OAHLLOKOSA-N 315.372 4.938 30 20 DJED CCN(C(=O)c1ccc(C(C)(C)CC)cc1)c1ccc(C#N)cc1 1435248296 KXZHXUAQWHBIMQ-UHFFFAOYSA-N 320.436 4.913 30 20 DJED C[C@@H](OC(=O)Cc1ccc2ccccc2c1)c1cccc(C#N)c1 1457760162 KIRJPBZYLRXLQN-OAHLLOKOSA-N 315.372 4.558 30 20 DJED CC[C@H](C#N)C(=O)N(C)[C@@H](c1ccc(Cl)cc1)C1CCCC1 1556417470 WCZKJLCTHQAMER-CXAGYDPISA-N 318.848 4.579 30 20 DJED Cc1ccc(N(CCC#N)C(=O)[C@H]2CC[C@H](C(C)C)CC2)cc1 1603046972 QPUZCHKNPTUGAE-IYARVYRRSA-N 312.457 4.704 30 20 DJED Cc1ccc(CC2CCN(c3cccc(F)c3C#N)CC2)cc1C 1639990908 JVPDSZAUELREQP-UHFFFAOYSA-N 322.427 4.773 30 20 DJED CC(C)CN(CCc1ccc(Cl)cc1)c1ccc(C#N)cc1 1642133258 RFNZDNZBNFFPBF-UHFFFAOYSA-N 312.844 4.917 30 20 DJED CCc1nc(C#N)cc(N[C@H]2CCCc3ccc(C(C)C)cc32)n1 1650937751 UNKDQUTWVFFAHN-SFHVURJKSA-N 320.440 4.524 30 20 DJED CC(C)(C)[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1C#N 1653759298 UISRORJEEGVAOT-DLBZAZTESA-N 304.865 4.906 30 20 DJED CCCOc1ccc(Cl)cc1NCc1ccc(C#N)c(C)c1 1656857935 LRQHRQGABXEXBT-UHFFFAOYSA-N 314.816 4.921 30 20 DJED CC[C@@H](Cc1ccccc1)N[C@H]1CCCc2cc(C#N)ccc21 1659476381 XTSYMJCRMZSTFC-FPOVZHCZSA-N 304.437 4.547 30 20 DJED Cc1cc(CNC2(Cc3ccccc3)CCCC2)ccc1C#N 1662179058 TYGKLDWSIABJFW-UHFFFAOYSA-N 304.437 4.512 30 20 DJED CC(C)[C@@H](NC[C@H](C#N)CCC#N)c1ccc(C(C)(C)C)cc1 23677574 BIMXBEZAXPSMAH-QFBILLFUSA-N 311.473 4.714 30 20 DJED C[C@H](c1ccccc1Cl)N(C(=O)c1ccc(C#N)cc1)C1CC1 45398001 DXWGVYAJEXSGBO-CYBMUJFWSA-N 324.811 4.577 30 20 DJED N#Cc1ccccc1CSCc1ccc(OC(F)F)cc1 60512173 IAJOXVNVCFDKIB-UHFFFAOYSA-N 305.349 4.593 30 20 DJED C[C@H](SCc1cc(-c2ccco2)on1)c1ccc(C#N)cc1 118444301 MSFVVUKTSJILOH-LBPRGKRZSA-N 310.378 4.801 30 20 DJED C[C@@H]1CCCC[C@@H]1CNc1ccc(C#N)c(Br)c1 228183464 GBHCSBBCVSMBEV-DGCLKSJQSA-N 307.235 4.559 30 20 DJED C=CCN(Cc1cccs1)Cc1cc(Cl)ccc1OC 247876601 HABGNNDHHKVMCV-UHFFFAOYSA-N 307.846 4.598 30 20 DJED N#CCc1cccc(NCc2ccc(F)c(C(F)(F)F)c2)c1 313433924 DFNHPOLACQBOPP-UHFFFAOYSA-N 308.278 4.523 30 20 DJED C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1ccccc1OC(F)F 314034569 CRCIZXHAXLKJNN-SNVBAGLBSA-N 322.742 4.986 30 20 DJED C[C@H](CC1CCCC1)/C(O)=N/[C@@H]1CCC(O)=N[C@H]1C(C)(C)C 329257542 DYVIJOILOJCHFX-XNRPHZJLSA-N 308.466 4.693 30 20 DJED CC(C)Sc1ccc([N+](=O)[O-])cc1/C(O)=N/[C@@H]1CCC[C@H]1C 330369879 CTWOPZLQRKDSML-BXUZGUMPSA-N 322.430 4.589 30 20 DJED C[C@@H](N[C@H](CC(F)F)c1ccccc1)c1cccc(C#N)c1 421867574 BNXCQGOLGCPHJK-CXAGYDPISA-N 300.352 4.605 30 20 DJED C[C@H](Nc1cccc(CC#N)c1)C1CCC(C(F)(F)F)CC1 449692486 BMJGIVMOZGVXIF-GRTSSRMGSA-N 310.363 4.922 30 20 DJED C=CCCC[C@@H](C)Sc1nnc(Cc2cccc(OC)c2)o1 462402736 VROZMECJPXXPAB-CYBMUJFWSA-N 318.442 4.506 30 20 DJED C=CC[C@@H](CC)NC(=O)N1CCC(c2cccc(Cl)c2)CC1 466396289 QFXCJWNXEDVENU-QGZVFWFLSA-N 320.864 4.584 30 20 DJED C=CCCOCCCCC(=O)Nc1ccc2oc(C)c(C)c2c1 477939141 DUIYFBNSCNANAO-UHFFFAOYSA-N 315.413 4.751 30 20 DJED C[C@H](N[C@H]1CCCc2ccc(F)cc21)c1ccc(C#N)c(F)c1 479469468 WPNPDHSNAWHFBF-BUXKBTBVSA-N 312.363 4.565 30 20 DJED C=CCC1(C(=O)Nc2ccc(OC(C)C)cc2Cl)CCC1 480505566 HXXOHVOAVVWULD-UHFFFAOYSA-N 307.821 4.812 30 20 DJED N#C[C@H](NC(=O)C1=CCCCCC1)c1c(Cl)cccc1Cl 481860255 HCQPCTZKOIINDK-AWEZNQCLSA-N 323.223 4.565 30 20 DJED CCN(CCC#N)Cc1ccc(-c2ccccc2Cl)s1 506461435 VSQMXEPTRPUWMR-UHFFFAOYSA-N 304.846 4.804 30 20 DJED C[C@H]1CCCC[C@H]1CCNCc1cccc(OCCCC#N)c1 512224469 IQBZOARKXBDJSX-HKUYNNGSSA-N 314.473 4.675 30 20 DJED CCN(C[C@@H]1CCCC(F)(F)C1)[C@@H](C)c1ccc(C#N)cc1 513887272 BFSKSJISMALVBK-GOEBONIOSA-N 306.400 4.767 30 20 DJED CC(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 515722975 IXBHQURZAUXINA-UHFFFAOYSA-N 314.772 4.598 30 20 DJED N#Cc1ccccc1SCc1ccc(Br)cc1F 525599209 FNCLDYRDIQVZEG-UHFFFAOYSA-N 322.202 4.752 30 20 DJED C=C[C@H](CC(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21)c1ccccc1 533911297 ADEDPOJGGNJVON-CUDHKJQZSA-N 311.469 4.774 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc(C)c(OC)c1C)c1ccccc1 536150141 JWWLFTCCFCZWLJ-INIZCTEOSA-N 309.409 4.610 30 20 DJED C=CCCC[C@@H](C)NC(=O)c1cccc(-c2nc(C)cs2)c1 537233246 YTZBBADOBPOLLP-CYBMUJFWSA-N 314.454 4.593 30 20 DJED CCCN(C(=O)c1ccc(F)c(C#N)c1)[C@H](CC)c1ccccc1 551146694 FPZAYPODKIAQAA-LJQANCHMSA-N 324.399 4.701 30 20 DJED N#Cc1csc(CN2CC[C@H](C(F)(F)F)c3ccccc32)c1 552316758 LLPQUMCNJURIKQ-AWEZNQCLSA-N 322.355 4.676 30 20 DJED C=CCC[C@H](C(=O)Nc1cc(C2CC2)ccn1)c1ccccc1 563794199 NBQMAKLMYPMKLZ-SFHVURJKSA-N 306.409 4.648 30 20 DJED N#CCCN(C(=O)c1ccc(C2CCC2)cc1)c1ccc(F)cc1 571494425 QFKCZVOKRFVLOA-UHFFFAOYSA-N 322.383 4.654 30 20 DJED Cc1ccc(NCc2ccc(Cl)cc2C#N)cc1OC(F)F 576520765 XODRGMVJOAUMHV-UHFFFAOYSA-N 322.742 4.734 30 20 DJED Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)CCCCCC#N)cc1 588649810 MCSDIMVYVVDZLD-MOPGFXCFSA-N 312.457 4.564 30 20 DJED Cc1cccc2sc(C(=O)N[C@@](C)(C#N)C(C)C)c(Cl)c12 602218262 UOFODFWWYCJZSM-INIZCTEOSA-N 320.845 4.531 30 20 DJED C=CCCCCCN(C)C(=O)N[C@@H](CC)c1ccc(C)cc1 606965258 FUOMCTZYGNEBJP-SFHVURJKSA-N 302.462 4.834 30 20 DJED CC[C@H](c1ccc(Br)cc1)N1CCC[C@](C)(C#N)C1 612165066 KBUTYWUEWHXIEN-HZPDHXFCSA-N 321.262 4.526 30 20 DJED C=CCN(C(=O)c1cccc(-c2nc(C)cs2)c1)C(C)(C)C 622944423 QYQNYQIDXFPSBF-UHFFFAOYSA-N 314.454 4.545 30 20 DJED COc1ccc(C(=O)/C=C/c2cccnc2Cl)c2ccccc12 728699678 ICSKHURHFZFQOZ-CSKARUKUSA-N 323.779 4.793 30 20 DJED C[C@H](C#N)CN(C)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 729037391 UGNUBHNBUWCLFB-CQSZACIVSA-N 321.384 4.725 30 20 DJED Cc1cc(/C=C\C(=O)c2cnn(-c3ccccc3)c2C)ccc1F 729149443 HSPAFCSDNXGFRI-LUAWRHEFSA-N 320.367 4.524 30 20 DJED C=C(C)CNC(=S)Nc1ccc(Oc2ccccc2)cc1C 731492074 IDPUJEBRKLJMSN-UHFFFAOYSA-N 312.438 4.650 30 20 DJED CCCCCCCCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 735789672 PNZGFARVNMWRJD-OAHLLOKOSA-N 311.429 4.798 30 20 DJED c1ccc(C(CC2CC2)=NNc2nccc3sccc23)cc1 735971997 GTPWLBATDYUQNA-UHFFFAOYSA-N 307.422 4.913 30 20 DJED CC(CCc1ccccc1[N+](=O)[O-])=NNc1cc(C)cc(C)c1 741455655 LLWUUUZKEMHJMC-UHFFFAOYSA-N 311.385 4.632 30 20 DJED CCOc1ccc(/C=C/C(=O)c2ccc(SC)c(F)c2)cc1 741847910 SEHYKUBOBOYYKJ-UXBLZVDNSA-N 316.397 4.842 30 20 DJED C=C(C)CCOC(=O)c1csc(-c2cccc(Cl)c2)n1 744304524 RAWFOYYSLMLNEG-UHFFFAOYSA-N 307.802 4.587 30 20 DJED O=C(/C=C\c1ccc(Cl)nc1)c1ccc(C(F)(F)F)cc1 748998657 RVMLVWIVWGWMLC-XFSBKJJWSA-N 311.690 4.650 30 20 DJED O=C(/C=C/c1ccc(Sc2ccccc2)cc1)c1cnccn1 753900267 LXTHOBANIQHAKQ-DHZHZOJOSA-N 318.401 4.524 30 20 DJED CCCCCCCC(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 754568729 OIPZMTPUNNMCKY-MSOLQXFVSA-N 321.436 4.523 30 20 DJED Clc1cccc(CNN=Cc2csc(Cl)c2Cl)c1 761809886 JVXLMMHSMHKBRX-UHFFFAOYSA-N 319.644 4.832 30 20 DJED CC[C@H](CNCc1cccc(O[C@@H](C#N)CC)c1)c1ccccc1 767371083 JXNHSIPYJCFFSX-UYAOXDASSA-N 322.452 4.651 30 20 DJED CC(C)(C#N)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 780373043 CFUWZBYYFVJASN-UHFFFAOYSA-N 306.369 4.980 30 20 DJED C[C@@H](C#N)Oc1ccccc1NC[C@@H](C)c1cccc(Cl)c1 783665585 YKFLILYPKMFMTC-KGLIPLIRSA-N 314.816 4.846 30 20 DJED C=CC[C@@H](CC)NC(=O)c1sccc1-c1ccc(F)cc1 798551260 PGEWXRWZZORLCH-CQSZACIVSA-N 303.402 4.639 30 20 DJED N#CCCCCCC(=O)OCc1ccc(SC(F)F)cc1 805696882 OFBXWIYKCFEQFE-UHFFFAOYSA-N 313.369 4.519 30 20 DJED C#C[C@H](NCc1ccc(C(F)F)cc1)c1ccc(Cl)cc1 811516911 XYIYNUAHDYNXMD-INIZCTEOSA-N 305.755 4.742 30 20 DJED c1ccc(C[C@H]2CCC(=NNc3ncnc4sccc34)C2)cc1 814767820 WMJYJEFFVWFXAI-CQSZACIVSA-N 322.437 4.502 30 20 DJED N#Cc1ccc(NN=C2CC[C@H]2C2CCC2)c(C(F)(F)F)c1 814923578 UTTFJICVQUMVOQ-LBPRGKRZSA-N 307.319 4.555 30 20 DJED O=C1/C(=C\c2cccc(Cl)c2)CCOc2ccc(F)cc21 861415440 BMDBCDREOMIDTE-WQLSENKSSA-N 302.732 4.528 30 20 DJED C=CCCC[C@@H](C)Nc1ccc([S@@](=N)(=O)C(F)(F)F)cc1 882162409 CPIPJIAYJADPOZ-WSVYEEACSA-N 320.380 4.769 30 20 DJED CCc1ccccc1NN=C(C)c1[nH]c(-c2ccccc2)nc1C 915111714 LBUSVRQUHIGZIU-UHFFFAOYSA-N 318.424 4.784 30 20 DJED CC(=NNc1nc2ccccc2n1C)C12CC3CC(CC(C3)C1)C2 915967935 QBHWMSQZSPRGLE-UHFFFAOYSA-N 322.456 4.578 30 20 DJED N#C[C@H]1CCC[C@@H](NCc2ccc(Cl)c(C(F)(F)F)c2)C1 1183146680 ZUAICZWTYZMMEB-CMPLNLGQSA-N 316.754 4.531 30 20 DJED CC(C)(C)c1cccc(C(=O)Nc2sc3c(c2C#N)CCC3)c1 1188969864 IPGIWESETGRURU-UHFFFAOYSA-N 324.449 4.658 30 20 DJED N#C[C@@H](CCc1ccccc1)S[C@@H]1CCc2ccccc2C1 1189702448 OJOJRFQYVKQUCB-WOJBJXKFSA-N 307.462 4.802 30 20 DJED C=C(Br)CN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 1193574635 IBGQITIHVBXSAM-BBWFWOEESA-N 320.274 4.553 30 20 DJED Cc1cccc([C@@H](NC(=O)c2cc(C#N)ccc2F)C(C)(C)C)c1 1264761530 JMWZHJLUFKREFY-GOSISDBHSA-N 324.399 4.523 30 20 DJED C#CCCCCCC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 1319940979 VNLLWEFRXVDFHX-QGZVFWFLSA-N 303.833 4.587 30 20 DJED Cn1cc(-c2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2)cn1 1326879917 QUBDIGSFEVQJCU-NYYWCZLTSA-N 322.795 4.637 30 20 DJED C[C@H](OC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(C#N)c1 1435511864 ZTVHDHIQHYGQGA-AWEZNQCLSA-N 307.393 4.774 30 20 DJED CC(C)(C)C[C@H](NCCc1ccc(C#N)cc1)c1ccccc1 1459833309 XJOLQUUXGHNFQH-FQEVSTJZSA-N 306.453 4.868 30 20 DJED C=C(CNC(=O)N[C@H](CCC(C)C)C(C)(C)C)c1ccccc1 1468841850 NQENIKMDEGILFV-GOSISDBHSA-N 316.489 4.850 30 20 DJED CC(C)CN(CCO[C@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 1473247201 QYKYREKULKLARA-XLIONFOSSA-N 314.473 4.616 30 20 DJED C[C@@H]1C[C@@H](CCNC(=O)CC2(C#N)CCCCC2)CC(C)(C)C1 1519983280 COHCGJGLKBUHHB-IAGOWNOFSA-N 318.505 4.819 30 20 DJED N#Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)cc1F 1524489510 JCIDKQAHOVASJH-QZTJIDSGSA-N 322.383 4.610 30 20 DJED C=C[C@@H](C(=O)Nc1nn(C2CCCCC2)cc1C)c1ccccc1 1548684133 MRLJBBAVLXBGSJ-GOSISDBHSA-N 323.440 4.605 30 20 DJED N#C[C@H]1CCC[C@H](OC(=O)c2cccc(Oc3ccccc3)c2)C1 1596978655 POLMZUUGMGEZAN-YJBOKZPZSA-N 321.376 4.718 30 20 DJED N#Cc1nc(Nc2ccc(OC3CCCC3)cc2)sc1Cl 1642044785 JFSJJWWWIXUPKD-UHFFFAOYSA-N 319.817 4.733 30 20 DJED CN(Cc1cc(Cl)cc(Cl)c1)[C@@H](C#N)c1ccccc1 1644350044 NKRADKRAORRBMT-INIZCTEOSA-N 305.208 4.690 30 20 DJED N#Cc1ccc(CCSc2nc(-c3ccccc3)co2)cc1 1652808051 VKFHWVAXSYYCBA-UHFFFAOYSA-N 306.390 4.548 30 20 DJED CC[C@H](NCCC1(C#N)CCCCC1)c1ccc(OC)cc1 1653983890 UXFYHZQQQFRZLQ-SFHVURJKSA-N 300.446 4.600 30 20 DJED CN(Cc1ccc(F)cc1C#N)[C@@H]1CCCC[C@@H]1c1ccccc1 1654733835 RCYHOACWTWEBAZ-NHCUHLMSSA-N 322.427 4.856 30 20 DJED CC(C)CC1(C)CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 1655539714 AQVWHQRGRSFCBH-UHFFFAOYSA-N 313.489 4.903 30 20 DJED COc1ccc(C#N)cc1NC/C=C/c1cc(C)c(C)cc1C 1662606486 XILDNLJPXORZNL-AATRIKPKSA-N 306.409 4.617 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1c(F)cccc1CC 1776783717 DTBXKJBSGKFDNS-MRXNPFEDSA-N 323.452 4.682 30 20 DJED Cc1ccccc1SCC(=O)Nc1ccc(C(C)(C)C#N)cc1 25437516 DGADWVLWIYUZEC-UHFFFAOYSA-N 324.449 4.527 30 20 DJED C=CCOc1ccccc1CN[C@H](C)c1cccc(Cl)c1 34992584 IUNFYHBERCCYNB-CQSZACIVSA-N 301.817 4.756 30 20 DJED C[C@H]1CCCC[C@H]1NC(=O)c1ccccc1-c1ccccc1C#N 104879724 STQQAQXBGDSKET-MGPUTAFESA-N 318.420 4.534 30 20 DJED CC(C)[C@H](NCc1cc(C#N)cs1)c1ccc(Cl)cc1F 181011291 KRZMEGOHCVILDX-INIZCTEOSA-N 322.836 4.899 30 20 DJED C#CCCCC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 192319423 CNTSILSKFBJMKP-INIZCTEOSA-N 307.393 4.569 30 20 DJED CC[C@@H](N[C@H](C)c1cc(F)ccc1OC)c1ccc(C#N)cc1 278271305 PCEJSJHXYMYRNV-FZKQIMNGSA-N 312.388 4.508 30 20 DJED CCCCCN(C(=O)Nc1ccc(C#N)cc1)[C@@H](C)CCC 303742022 ZKISXLUVBPTTBG-HNNXBMFYSA-N 301.434 4.771 30 20 DJED CCC(C#N)(CC)C(=O)Nc1ccc(Oc2ccccc2)cc1 320738301 LNQJMFZHPSGCBB-UHFFFAOYSA-N 308.381 4.747 30 20 DJED N#CCCCC(=O)Nc1nc(-c2cccc3ccccc23)cs1 359914782 BQKQRESXNQXLFY-UHFFFAOYSA-N 321.405 4.596 30 20 DJED C=C[C@](C)(CCOC)C(=O)Nc1cccc(Nc2ccccc2)c1 437845775 SIRBYMHWUOMAJN-HXUWFJFHSA-N 324.424 4.598 30 20 DJED CCC[C@H]1CCCCN1C(=O)Nc1ccc(CC#N)cc1Cl 455724214 BVCZKBOGUCGVIP-AWEZNQCLSA-N 319.836 4.593 30 20 DJED C=CCCN(C)C(=O)Nc1cc(Cl)ccc1SC(C)C 466589581 RURSPANZFLCQFQ-UHFFFAOYSA-N 312.866 4.880 30 20 DJED C=C[C@@H](CC(=O)N1CC[C@@H](C)c2cccc(O)c21)c1ccccc1 468822072 CNNXRJABCAVOFN-CVEARBPZSA-N 321.420 4.592 30 20 DJED C=CCCOCCCCC(=O)NC1CCC2(CCCCC2)CC1 469950187 JEERUWZEVBELTO-UHFFFAOYSA-N 321.505 4.759 30 20 DJED C=CCCCSCC(=O)N[C@H](c1cccs1)C(C)(C)C 476137050 GIXVPXBQLRZIRV-OAHLLOKOSA-N 311.516 4.651 30 20 DJED C=C(C)COc1cccc(NCc2ccc(Br)o2)c1 480299426 CINWUVMACNCUQT-UHFFFAOYSA-N 322.202 4.609 30 20 DJED C=CCCCS[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 489617208 JKSNSCVDGKTFRM-LBPRGKRZSA-N 304.415 4.506 30 20 DJED N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3CC=CCC3)c2)cc1 517843155 KWOHAANKIAVHPY-INIZCTEOSA-N 318.376 4.645 30 20 DJED CCC[C@@H]1CCCC[C@H]1NC(=O)C[C@H](CC#N)c1ccccc1 527249452 OTACUFZLSUVSJQ-CEXWTWQISA-N 312.457 4.549 30 20 DJED Cc1cc(N2CCCC[C@H]2C)ccc1NCc1cccc(C#N)c1 533217921 LBMFZGKTWVCKFW-QGZVFWFLSA-N 319.452 4.858 30 20 DJED C[C@H](NC[C@H]1CCCC[C@H]1C(F)(F)F)c1ccc(C#N)cc1 563292278 IAYMASNXDRRKDB-APHBMKBZSA-N 310.363 4.578 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N(C)c1cccc(C#N)c1 573389274 KDDCZIAXAFFYSX-RDJZCZTQSA-N 318.420 4.511 30 20 DJED COc1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)cc1Cl 610346478 VOAQCZAOEOGWGN-OLZOCXBDSA-N 314.816 4.632 30 20 DJED CC(C)c1cccc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)c1 659115685 GEVWVOZYICXFHR-OAHLLOKOSA-N 310.422 4.634 30 20 DJED CC(C)COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1 730151980 WKGXHNIRXYMBHW-BJMVGYQFSA-N 316.347 4.896 30 20 DJED COc1ccc(Cl)cc1C(=O)/C=C\c1cc(C)c(O)c(C)c1 730585587 ZBBGGGCMPQWLHF-XQRVVYSFSA-N 316.784 4.567 30 20 DJED COc1cc(/C=C\C(=O)c2ccc(F)cc2C)ccc1SC 731318705 JWKOLCKTNQWORA-YWEYNIOJSA-N 316.397 4.761 30 20 DJED C/C(=C\C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C(C)(C)C 744371242 OTCBKIBFPBXNKW-JXMROGBWSA-N 310.319 4.508 30 20 DJED CC[C@@H](C#N)OC(=O)c1cc2sc3ccccc3c2s1 753422687 ZMPGIAUHWBDUCL-VIFPVBQESA-N 301.392 4.575 30 20 DJED CC1(C)CCC[C@H](C(=O)[C@@H](C#N)c2ccc3ccccc3n2)C1 756518149 DOMRXEKWMFEVQC-HOTGVXAUSA-N 306.409 4.627 30 20 DJED Cc1cccc2c1C/C(=C\c1nc3ccc(F)cc3s1)C2=O 761479182 XPHRMYQHHMTYFK-DHZHZOJOSA-N 309.365 4.566 30 20 DJED CC(=NOCc1ccc(C(F)(F)F)cc1)c1ccc(C#N)s1 762452735 PMYDFJFACPKADX-UHFFFAOYSA-N 324.327 4.579 30 20 DJED C=CC[C@@H](C(=O)OCc1ncc(C(C)C)s1)c1ccccc1 778714386 VSLVAGAVURFZCP-OAHLLOKOSA-N 315.438 4.670 30 20 DJED CC(C)CCCCCC(=O)Nc1ccccc1O[C@@H](C)C#N 780150924 XHCSTJMAIOUUGV-HNNXBMFYSA-N 302.418 4.522 30 20 DJED Cc1cccc(CC[C@@H](C)Nc2ccccc2O[C@@H](C)C#N)c1 780742974 DDUMLUSNCXIADQ-SJORKVTESA-N 308.425 4.719 30 20 DJED C#CCOc1ccc([C@@H](C)N[C@H](C)c2cc3ccccc3o2)cc1 785571941 XFVQNFDYCYJWIE-HZPDHXFCSA-N 319.404 4.857 30 20 DJED Clc1sccc1C=NNc1cccc(Br)c1 790156006 WRJNHHHBEWXXNR-UHFFFAOYSA-N 315.623 4.610 30 20 DJED N#C[C@@H](C(=O)CC1CCCCCC1)c1cc(C(F)(F)F)ccn1 813212598 DFPWNGRQHZJVLX-CQSZACIVSA-N 324.346 4.637 30 20 DJED Clc1ccc(NN=C2CCCC[C@H]2C2=CCCCC2)nn1 814697741 AJSWRRLBJBAFFL-ZDUSSCGKSA-N 304.825 4.589 30 20 DJED CC(=NNc1ccnc(Cl)c1)c1sc(C(C)(C)C)nc1C 853394216 JBVBLCMBQOVBRW-UHFFFAOYSA-N 322.865 4.634 30 20 DJED COCOc1ccc(-c2cccc(C3(C#N)CC3)c2)cc1Cl 863980954 UFSFWFBHCOJHRE-UHFFFAOYSA-N 313.784 4.545 30 20 DJED C=CC(C)(C)CC(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C 879298117 UMPDREVONMYEBJ-CYBMUJFWSA-N 308.491 4.697 30 20 DJED CC(C)c1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)ccc1O 882654865 DROQVVWVJWAPBG-MRXNPFEDSA-N 322.408 4.542 30 20 DJED CC(C)Sc1ccc([C@@H](C)Nc2cccc(CC#N)n2)cc1 1320490081 JWVIWADHTNYMCK-CQSZACIVSA-N 311.454 4.821 30 20 DJED O=C1/C(=C/c2ncc(-c3ccccc3)[nH]2)Cc2cc(Cl)ccc21 1324735405 FQPBAOZMOSGMNW-GXDHUFHOSA-N 320.779 4.553 30 20 DJED CCSc1cccc(CNc2ncc(Cl)c(C)c2C#N)c1 1458412580 GAFKYDYZQDCUIZ-UHFFFAOYSA-N 317.845 4.639 30 20 DJED Cc1ccc(C)c([C@H]2CCCN2Cc2ccc(C#N)cc2F)c1 1474345030 YSRLHOZEUQMDPF-HXUWFJFHSA-N 308.400 4.651 30 20 DJED C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)CC1(C#N)CCCCC1 1536543503 UODXPZTZYPIFJD-UZLBHIALSA-N 324.468 4.680 30 20 DJED CC(C)C1CCC(NC(=O)Nc2ccc(C#N)cc2Cl)CC1 1623230386 OZYFYLIAAOXAFF-UHFFFAOYSA-N 319.836 4.548 30 20 DJED CCOc1cccc(Cl)c1CSc1ccccc1C#N 1643710025 OSCPSVRQTCPQLP-UHFFFAOYSA-N 303.814 4.903 30 20 DJED Cc1ccc([C@@H]2CCCCCN2Cc2ccc(C#N)cc2C)o1 1644682695 UOSQXPUXWNTUKK-IBGZPJMESA-N 308.425 4.885 30 20 DJED N#Cc1ccc2c(c1)CCCN2Cc1ccc(Cl)cc1Cl 1645901103 PKJWITRRXXXDTJ-UHFFFAOYSA-N 317.219 4.818 30 20 DJED CC(C)C[C@H]1CCCN(c2ccc(C#N)c(Br)c2)C1 1650862434 KUQJHTATQVOSLO-CYBMUJFWSA-N 321.262 4.583 30 20 DJED CCC[C@@H]1CCc2ccccc2N1Cc1ccc(C#N)cc1OC 1653689969 SJDBONRKPMPAMC-LJQANCHMSA-N 320.436 4.688 30 20 DJED CC(C)C[C@H]1CCCCCN1C(=O)Nc1cc(F)cc(C#N)c1 1674213685 ZOBHPLVHVSZCRV-QGZVFWFLSA-N 317.408 4.520 30 20 DJED CCCC1CCC(C(C)=NNc2ccccc2C(=O)O)CC1 1776032221 SXUNXMYFAGUUHP-UHFFFAOYSA-N 302.418 4.779 30 20 DJED CC1(C)CCCCCC1=NNc1ccc(Cl)c(C(=O)O)c1 1776034468 IRYDYIZTQACJJE-UHFFFAOYSA-N 308.809 4.796 30 20 DJED C=CCN(CC=C)C(=O)c1ccc(CSc2ccccc2)cc1 58045321 PQSMVSXDVWBGIU-UHFFFAOYSA-N 323.461 4.793 30 20 DJED C[C@@H]1C[C@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 76392608 KYTQQKCJELFLQO-JLZZUVOBSA-N 324.811 4.590 30 20 DJED CC[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccc(C)cc1 78372151 ZUKLFGSLKKTIOA-OAQYLSRUSA-N 321.468 4.586 30 20 DJED CC(C)CCN(CCC#N)C(=O)Nc1cccc(C(C)C)c1 78467102 SAOWSTAGWRMZQX-UHFFFAOYSA-N 301.434 4.604 30 20 DJED C#Cc1cccc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)c1 175732026 BCQBFIFECCKJPL-UHFFFAOYSA-N 324.594 4.880 30 20 DJED N#Cc1csc(C(=O)Nc2ccccc2Nc2ccccc2)c1 180803684 KGDRXDVDABDRAE-UHFFFAOYSA-N 319.389 4.616 30 20 DJED COc1cc(C(=O)/C=C\c2cccc(Cl)c2)ccc1SC 207746062 YCSBLTUUMXMILW-VURMDHGXSA-N 318.825 4.967 30 20 DJED COc1cc(C(=O)/C=C\c2ccc(F)c(F)c2)ccc1SC 207746417 PKVUSKXZPIYLMY-DAXSKMNVSA-N 320.360 4.591 30 20 DJED CC[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 278667754 IZXIJDISHYZMTP-KDOFPFPSSA-N 323.396 4.577 30 20 DJED Cc1nc(C2(/N=C(/O)C3C[C@H](C)C[C@@H](C)C3)CCCCC2)no1 329378458 MNCGRGKHKSUVEN-CHWSQXEVSA-N 319.449 4.566 30 20 DJED C[C@H](/N=C(/O)[C@@H]1CC12CCCC2)c1ncc(-c2ccccc2)o1 329926079 KIRDWFWBFBIANR-ZFWWWQNUSA-N 310.397 4.939 30 20 DJED CC[C@@H](/N=C(/O)c1cc(C(C)C)oc1C)c1c(C)noc1C 330606590 NYCLBRDGRLLQQL-CQSZACIVSA-N 304.390 4.772 30 20 DJED CCOc1ccc(OCC)c(N[C@H](C)c2cccc(C#N)c2)c1 390420480 ONHUXLACNBCOTK-CQSZACIVSA-N 310.397 4.529 30 20 DJED C=CCC[C@@H](NCc1ccc(Oc2ccccc2)nc1)C1CC1 438982696 FVCSLCYFLBLDPM-LJQANCHMSA-N 308.425 4.708 30 20 DJED CC#CCCCC(=O)Nc1cccc(COc2ccccc2)c1C 466425986 OJFPHDCXNKQRJR-UHFFFAOYSA-N 321.420 4.706 30 20 DJED C=CCC1(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)CCC1 479819106 PQFKJTYOWRCWFP-UHFFFAOYSA-N 324.302 4.532 30 20 DJED C=CCCCC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 481152065 GAGFMURQMHVKRL-UHFFFAOYSA-N 322.433 4.680 30 20 DJED C=CCOc1ccccc1CN[C@H](C)c1ccc(CC)s1 482871337 QZVRXGFNTKORFK-CQSZACIVSA-N 301.455 4.726 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)/C=C/C1CCCC1 493300873 YHVUQPLBDZWQGF-PLSXKVAHSA-N 314.454 4.623 30 20 DJED C=CC[C@H](C)NC(=O)[C@H](Sc1ccccc1)c1ccccc1 522642517 RBQIPRJKAHUDSP-MAUKXSAKSA-N 311.450 4.601 30 20 DJED Cc1ccc(-c2cccc(CNCc3ccc(C#N)cc3)c2)cc1 532076748 FJEBFRRRZKXJSO-UHFFFAOYSA-N 312.416 4.824 30 20 DJED C=CCC[C@@H](NC(=O)N(C1CCCC1)C1CC1)c1ccccc1 532519688 XXKPEWXVTYGPTK-LJQANCHMSA-N 312.457 4.811 30 20 DJED CC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1F 539608574 RZBHNYKFBYPCRM-ZMZPIMSZSA-N 318.342 4.777 30 20 DJED C=CCCCN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 543051486 SNXJFQCBSOSCON-SFHVURJKSA-N 300.833 4.575 30 20 DJED C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1OCc1ccccc1 559146785 FHGFFUFBCBZHPE-BHIYHBOVSA-N 320.436 4.608 30 20 DJED C=C(C)CCN1CCc2nc(-c3ccccc3Cl)sc2C1 571120987 GCYINRNDHJVBDU-UHFFFAOYSA-N 318.873 4.788 30 20 DJED N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccc2occc2c1 572763098 CQYVQVWQOASDGX-VQTJNVASSA-N 316.404 4.705 30 20 DJED CCOc1ccc(CNc2cccc(OCCCC#N)c2)c(C)c1 594927998 SFLRRBNKFQXSMM-UHFFFAOYSA-N 324.424 4.688 30 20 DJED CC(C)Oc1ccccc1CNc1cccc(Cl)c1C#N 603942620 SJKIXVLAKMRGAR-UHFFFAOYSA-N 300.789 4.611 30 20 DJED C[C@H](Nc1cccc(C#N)n1)c1ccccc1Oc1ccccc1 609892507 JYTCZUUJDWWHPO-HNNXBMFYSA-N 315.376 4.919 30 20 DJED C[C@H](CC#N)NCc1cccc(Oc2ccc(Cl)cc2)c1 612584561 PDLVVXJUCPDUDJ-CYBMUJFWSA-N 300.789 4.524 30 20 DJED O=C1/C(=C/c2ccc(Br)cc2)CCc2sccc21 726891162 GURWCTVOBQESRA-PKNBQFBNSA-N 319.223 4.723 30 20 DJED C[C@H](C#N)Oc1ccc(C=NNc2cccc3ccccc23)cc1 727685065 YDWNCKBOXNTQFL-OAHLLOKOSA-N 315.376 4.577 30 20 DJED Cc1cccc(-c2n[nH]cc2/C=C/C(=O)c2ccc(C)s2)c1 728786429 WOEJWQBZFIRXPW-BQYQJAHWSA-N 308.406 4.651 30 20 DJED Cc1cc(C)cc(C(=O)/C=C/c2cccc(OC(F)F)c2)c1 730438103 ZQMRFZZMGDMGRD-VOTSOKGWSA-N 302.320 4.801 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C\c1nc(-c3ccccc3)cs1)C2 730949347 UAQFDFLSFAZJIC-WJDWOHSUSA-N 317.413 4.941 30 20 DJED COc1ccc(/C=C2\C(=O)c3ccsc3S[C@H]2C)cc1C 742435929 BXEXIBHRSJHRSW-HOXUKUGESA-N 316.447 4.826 30 20 DJED N#Cc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)o1 743417350 HHTNYLORGRDSQI-UHFFFAOYSA-N 314.559 4.557 30 20 DJED CC/C(=C\C(=O)Nc1sccc1C#N)c1cccc(Cl)c1 745976920 OSRGXINVRWEHPZ-PKNBQFBNSA-N 316.813 4.705 30 20 DJED C#Cc1cccc(NC(=O)N(Cc2cccc(C)c2)CC(C)C)c1 746659788 KYYFZZOWNJWEGR-UHFFFAOYSA-N 320.436 4.666 30 20 DJED C=CCCCC(=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1 762989036 AZMDMJWIPKJYIC-HXUWFJFHSA-N 323.436 4.648 30 20 DJED C[C@@H](C=NNc1ncnc2ccsc12)c1cccc(Cl)c1 763369310 FDUOKZCRKJEOKI-JTQLQIEISA-N 316.817 4.546 30 20 DJED C=CCOc1ccccc1CN[C@@H](C)c1cccc(OCC)c1 765910419 ZFXWJRRPISHKDC-INIZCTEOSA-N 311.425 4.501 30 20 DJED C[C@H](C#N)Oc1ccccc1N[C@H]1CC[C@H](Cc2ccccc2)C1 783291514 PXQXNXCFZBCHIV-QRQLOZEOSA-N 320.436 4.801 30 20 DJED O=C(/C=C\c1c(Cl)nc2ccccn12)c1csc(Cl)c1 787185503 BPUURQROUQHUAK-PLNGDYQASA-N 323.204 4.599 30 20 DJED Cc1ccc(C(=O)OCCCCC(C)(C)C#N)c(F)c1Cl 789071963 JBLDWEWERIBACX-UHFFFAOYSA-N 311.784 4.664 30 20 DJED O=C(/C=C\c1ccc(OCC2CC2)cc1)c1ccc(F)cc1F 790209644 DEQBQMSVLKXGSJ-YHYXMXQVSA-N 314.331 4.650 30 20 DJED O=C1/C(=C\c2ccc(C(F)F)cc2)CCOc2ccccc21 794942633 QBWDGFLDMSQXIB-KAMYIIQDSA-N 300.304 4.673 30 20 DJED C#CCCCCC(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 811591266 FOMXOVLTUORMPH-KRWDZBQOSA-N 324.251 4.754 30 20 DJED CC(=NNc1ccccc1)c1csc(-c2ccccc2F)n1 812223343 VYTXFKAGICUNHO-UHFFFAOYSA-N 311.385 4.785 30 20 DJED CC1=C(C)C[C@@H](C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)CC1 842786079 YUEPFWAXBOHWKF-UONOGXRCSA-N 316.470 4.753 30 20 DJED C[C@@H](CC(=O)[C@H](C#N)c1nc(C2CC2)cs1)C1CCCCC1 842943797 YWOMPQWCZUQVTB-WFASDCNBSA-N 316.470 4.803 30 20 DJED C[C@H]1CCC[C@H]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 1264129139 KPMACQAQIPXRBO-STQMWFEESA-N 316.470 4.653 30 20 DJED Cc1ccc(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)cc1 1274493793 ZSFAKSPUYSVSRE-CHWSQXEVSA-N 324.449 4.866 30 20 DJED CCc1nc(C#N)cc(N[C@@H](CC2CCCC2)c2ccccc2)n1 1307073576 XDIVAGCCQCVLMZ-SFHVURJKSA-N 320.440 4.644 30 20 DJED Cc1cc(C)c(/C=C\CN[C@H](C)c2ccc(C#N)cc2)cc1C 1308229530 GUKXMWKKAXAICI-OOFWQKGWSA-N 304.437 4.848 30 20 DJED C=C(CNCc1c[nH]nc1-c1ccc(Cl)cc1)c1ccccc1 1318348468 LOJSSWGMBWPNPT-UHFFFAOYSA-N 323.827 4.533 30 20 DJED N#Cc1cccc(CSc2ncc(-c3ccccc3)o2)c1F 1337204969 JLFIKJSKFQXSTD-UHFFFAOYSA-N 310.353 4.645 30 20 DJED N#Cc1ccc(CCSc2nc3cc(Cl)ccc3o2)cc1 1458778274 UOPYQJWMFORVHA-UHFFFAOYSA-N 314.797 4.688 30 20 DJED C=C(CNC(=O)N[C@H]1CCCCC12CCCC2)c1ccccc1 1470274784 YHWWVYGHVVKFFZ-SFHVURJKSA-N 312.457 4.502 30 20 DJED CCC[C@H]1CCc2ccccc2N1CCc1ccc(C#N)cc1 1473253691 UUZHWHGRHJMIDC-FQEVSTJZSA-N 304.437 4.722 30 20 DJED C[C@H](C#N)CNCc1cc(F)ccc1Oc1cccc(Cl)c1 1474294159 JGBZPWQHZGBFNU-GFCCVEGCSA-N 318.779 4.521 30 20 DJED Cc1ccc(C#N)cc1C(=O)O[C@@H](C)c1cc2ccccc2o1 1538898333 JPYNESRDAKAKMB-ZDUSSCGKSA-N 305.333 4.531 30 20 DJED CC[C@H](OC(=O)c1cccc(C#N)c1)c1cccc(Cl)c1F 1585399185 LGYCISWYCWUNOZ-HNNXBMFYSA-N 317.747 4.659 30 20 DJED C[C@H]1[C@@H](c2ccccc2)CCN1Cc1ccc(C#N)cc1Cl 1644756148 LNLNLRNGSSZRKC-KSSFIOAISA-N 310.828 4.590 30 20 DJED Cc1nsc(Nc2ccc3nc(C(C)C)sc3c2)c1C#N 1651446371 SQTCJABGOWQSIT-UHFFFAOYSA-N 314.439 4.800 30 20 DJED N#Cc1ccc(OCCc2c(Cl)cccc2Cl)cc1F 1652661112 FJMYKXGQZSRECQ-UHFFFAOYSA-N 310.155 4.626 30 20 DJED CC(C)CN(CCc1ccccc1Cl)c1ccc(C#N)cc1 1653661483 LWCKFXBPWCIEAQ-UHFFFAOYSA-N 312.844 4.917 30 20 DJED CC(C)[C@H]1CCc2ccccc2[C@@H]1NCc1ccc(C#N)cc1F 1656058850 GOQRJSDMRSUQPH-WIYYLYMNSA-N 322.427 4.747 30 20 DJED CC(C)c1cnc(SCc2ccc(C#N)s2)n1C(C)C 1656300908 DVPTYQHHEWQNQS-UHFFFAOYSA-N 305.472 4.813 30 20 DJED Cc1ccc(C)c(C2CCN(Cc3ccc(C#N)c(C)c3)CC2)c1 1660159433 AESIHWKXOBBMNY-UHFFFAOYSA-N 318.464 4.863 30 20 DJED CCCC(=NNc1ccc(Cl)c(C(=O)O)c1)[C@@H]1CC1(C)C 1776034208 SJKPQPVBLJKVBV-LBPRGKRZSA-N 308.809 4.652 30 20 DJED CCCC(=NNc1cccc(C(=O)O)c1C)C1CCCCC1 1776086585 CNEYQRBLJZBVAH-UHFFFAOYSA-N 302.418 4.842 30 20 DJED C[C@@H]1C/C(=C\c2ccc(/C=C\C(=O)O)cc2)C(=O)c2ccccc21 1776589741 RZTDHRHXQVODGF-JCOFGPBMSA-N 318.372 4.558 30 20 DJED O=C(/C=C/c1ccc(N2CCCCC2)cc1)c1ccc(F)cc1 6339665 KZQQJYACBCKNIG-AWNIVKPZSA-N 309.384 4.712 30 20 DJED C=CCC[C@H](CCC)N[C@H](C)c1nc(-c2ccncc2)cs1 90045944 JABUNKUWPWELBE-ZBFHGGJFSA-N 315.486 4.991 30 20 DJED N#Cc1cccc(-c2nc(-c3ccc(Cl)cc3Cl)no2)c1 140263549 KUSGQKOASDZZHI-UHFFFAOYSA-N 316.147 4.582 30 20 DJED N#Cc1ccc(CN[C@@H](Cc2ccccc2)c2ccccc2)s1 176942211 JOIYOYMPGPKNCB-FQEVSTJZSA-N 318.445 4.693 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 188281188 ZBLCJVCSZAXHFK-SFHVURJKSA-N 318.417 4.574 30 20 DJED CC(C)n1cc(/C=C\C(=O)c2ccc(Cl)cc2Cl)cn1 255199148 PNSLKAMUDSZRII-UTCJRWHESA-N 309.196 4.667 30 20 DJED CC(C)c1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1 264390266 RSXRMIMHUMBABQ-MRXNPFEDSA-N 308.425 4.563 30 20 DJED N#Cc1ccc(N[C@H](c2ccccc2)c2cccc(Cl)c2)nc1 301112934 SFIBTEKOLURDFK-LJQANCHMSA-N 319.795 4.808 30 20 DJED C[C@@H](Nc1ccc(Nc2cccc(C#N)n2)cc1)c1ccccc1 301825174 IOWWTHITTYBHGA-OAHLLOKOSA-N 314.392 4.870 30 20 DJED CCCCCCCC(=O)N(C)[C@@H](C)c1sc(CC)nc1C 303830253 GORJYPLZCYTVQL-AWEZNQCLSA-N 310.507 4.894 30 20 DJED CC[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(Cl)cc1 315393477 LJIUVFFTUQBQRB-CQSZACIVSA-N 315.760 4.683 30 20 DJED CCc1ccc2c(c1)[C@@H](CC/N=C(/O)C1CCCCC1)C(O)=N2 328927305 FRXAHPDKWNEDDW-OAHLLOKOSA-N 314.429 4.861 30 20 DJED Cc1ccnc(C)c1N/C(O)=N/[C@@H]1CCCCC12CCCC2 329600119 DWEBPCVTXIGQQL-OAHLLOKOSA-N 301.434 4.527 30 20 DJED CC(O)=Nc1ccc(CNC2CCC3(CCCCC3)CC2)cn1 330320766 FLBRFXIZQSQRTL-UHFFFAOYSA-N 315.461 4.672 30 20 DJED CCC[C@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)c1ccccc1 425641168 UZPOYLVIMMMYHO-JXFKEZNVSA-N 320.436 4.662 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1ccc(CCC(F)(F)F)cc1 439454176 QUVODDLOKIEUSV-ZDUSSCGKSA-N 314.351 4.658 30 20 DJED Cc1ccc([C@@H]2CCC[C@@H]2N(C)Cc2ccc(C#N)cc2)cc1 441352441 XSQVRXIMODTJLJ-SFTDATJTSA-N 304.437 4.635 30 20 DJED Cc1cc(CNc2cccc(-c3nc(C)c(C)o3)c2)ccc1C#N 443990455 RJKRJUBNMCDFBC-UHFFFAOYSA-N 317.392 4.751 30 20 DJED C=C[C@H](Cc1nc(-c2ccc(C(C)C)nc2)no1)c1ccccc1 445522235 ZCCGFNPNTBVVPJ-OAHLLOKOSA-N 319.408 4.767 30 20 DJED C=CCC(C)(C)C(=O)Nc1ccc(CNc2ccccc2)cc1 450016602 LKCQBVAPILLXJC-UHFFFAOYSA-N 308.425 4.840 30 20 DJED N#Cc1cc(NC(=O)C2CCC(c3ccccc3)CC2)ccc1F 463482788 VBUKZZYZWRMQNQ-UHFFFAOYSA-N 322.383 4.610 30 20 DJED C=C(C)COc1cccc(NC(=O)c2csc(Cl)c2)c1 466998375 NNTPCXQNUPPNMR-UHFFFAOYSA-N 307.802 4.609 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1ccc(Br)cc1CC 467987454 BJNXDJWGTZXYJX-OAHLLOKOSA-N 310.235 4.552 30 20 DJED CC[C@H](CC#N)N[C@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 468476283 SBTLPHXCZLXPSG-WWGRRREGSA-N 311.256 4.911 30 20 DJED C[C@H](C#N)CSc1ccccc1NCCCCOC(C)(C)C 473658646 IGADIQZUKRCBDF-OAHLLOKOSA-N 320.502 4.946 30 20 DJED Cc1ccc2sc(C(=O)N(C)c3ccc(C#N)cc3)c(C)c2c1 485922760 PEHYOXCSNXMVAR-UHFFFAOYSA-N 320.417 4.666 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1c(F)cccc1Cl 487813497 AGEHGMDYCIENTF-GFCCVEGCSA-N 302.780 4.544 30 20 DJED C=CC[C@H](C(=O)Nc1ccc(C)cc1OCC)c1ccccc1 488630949 RISIZTQIDIOATK-KRWDZBQOSA-N 309.409 4.692 30 20 DJED CC(C)c1ccc([C@H]2CCCCN2C(=O)c2ccc(C#N)o2)cc1 494089837 RUQVQFOTBKRGNM-GOSISDBHSA-N 322.408 4.642 30 20 DJED CCOc1ccccc1CN(CC)[C@H](C)c1ccc(C#N)cc1 497619293 RSJYWVFZZSUVHB-MRXNPFEDSA-N 308.425 4.540 30 20 DJED CSc1ccccc1CN1CCC[C@H]1[C@H](C#N)c1ccccc1 511116055 PQHWNUSFUVRNSJ-MOPGFXCFSA-N 322.477 4.680 30 20 DJED C=CCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 523956274 IOHWNILIZRZHCF-GFCCVEGCSA-N 316.470 4.675 30 20 DJED COc1ccc(CNc2ccc(SC)c(Cl)c2)cc1C#N 532887186 HNZHGEMHVITAPP-UHFFFAOYSA-N 318.829 4.554 30 20 DJED Cc1sc(NC(=O)c2cccc(C3CCC3)c2)c(C#N)c1C 539504310 XQILQCOZARFEQW-UHFFFAOYSA-N 310.422 4.756 30 20 DJED C=CCC[C@H](N[C@@H]1CCSC1)c1ccc(C(F)(F)F)cc1 541555443 FCQRNQJJEOTBPY-CABCVRRESA-N 315.404 4.808 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@](C)(c2ccccc2)CC1 561073412 AFRRSHDHLYUBKM-NRFANRHFSA-N 311.469 4.725 30 20 DJED C/C=C/c1ccc(NC2CCN(c3ccc(C#N)cc3)CC2)cc1 569828197 VYPNPNMTCXMPLR-NSCUHMNNSA-N 317.436 4.672 30 20 DJED N#Cc1ccc2c(c1)[C@@H](N[C@H]1C[C@H](c3cccc(Cl)c3)C1)CC2 576793574 RPSDAPLKQIFDQY-QRFRQXIXSA-N 322.839 4.735 30 20 DJED CCCOc1ccc(Cl)cc1NC(=O)CCCCCC#N 588751163 FJYCRVOKTWZQHI-UHFFFAOYSA-N 308.809 4.541 30 20 DJED CC(C)c1ccc2occ(C(=O)NCC(C)(C)CCC#N)c2c1 588770868 UHOIGIIOEWKVCD-UHFFFAOYSA-N 312.413 4.616 30 20 DJED COc1ccccc1-c1ccc([C@H](C)NC[C@H](C)CCC#N)cc1 602561790 FWBKUMHIIVEHOT-SJORKVTESA-N 322.452 4.953 30 20 DJED N#Cc1ccc(CN2CCC[C@@H]2c2ccccc2Cl)c(F)c1 603856966 IMVXDIQJKWUBAE-GOSISDBHSA-N 314.791 4.688 30 20 DJED Cc1cc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)ccc1F 611394682 WGGQPHTYLMAXAP-XOBRGWDASA-N 308.400 4.734 30 20 DJED CC[C@H](c1ccc(Br)cc1)N1CCC[C@@](C)(C#N)C1 612165060 KBUTYWUEWHXIEN-CVEARBPZSA-N 321.262 4.526 30 20 DJED C=C[C@@H](C)NCc1nc(-c2cc(Cl)ccc2Cl)cs1 677149359 BEYINAWAMXBPLY-SECBINFHSA-N 313.253 4.781 30 20 DJED CCSc1ccc([C@@H](C)/N=C\c2cccc(OC)c2O)cc1 728785267 BZRRBEOTVHFRSV-CQLSMYGBSA-N 315.438 4.693 30 20 DJED C[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1csc2ccccc12 730020299 FQWRHRYAVORIMX-GFCCVEGCSA-N 321.405 4.656 30 20 DJED CCC[C@H](CC1CCCC1)C(=O)Nc1cccc(OCC#N)c1 733217829 QJTVQWIXALRPDP-MRXNPFEDSA-N 314.429 4.524 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC(=O)C1CCCCCCC1 741547682 CKQKGEZXRBUTNC-UHFFFAOYSA-N 314.429 4.644 30 20 DJED C=CCOCCCC(=O)Oc1c(Cl)cc(Cl)cc1Cl 744351326 YXPHGHCZKVMHGG-UHFFFAOYSA-N 323.603 4.535 30 20 DJED CCCCCCCC(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1 753275627 ZMPMSIZMRUZOKH-MJGOQNOKSA-N 317.473 4.631 30 20 DJED C#CC[C@H](NCc1csc(-c2cccs2)n1)c1ccccc1 756995029 CDMCBRXCBVNQCX-INIZCTEOSA-N 324.474 4.726 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2cc(C)cnc2Cl)CCCC1(C)C 772432545 LAXRMOYAFIJTPB-AWEZNQCLSA-N 321.852 4.642 30 20 DJED CCCCCCC[C@H](NCc1cnn(C)c1C)c1ccccc1 773117886 YCNATEONQIFKIO-FQEVSTJZSA-N 313.489 4.920 30 20 DJED CCc1cnccc1C(=O)/C=C\c1cccc(-c2ccccn2)c1 776191198 FXXHHFCMKDPVOA-KTKRTIGZSA-N 314.388 4.602 30 20 DJED N#CCOc1cccc(NCc2ccccc2-c2ccccc2)c1 779586636 ZWBJTZGVAJNODT-UHFFFAOYSA-N 314.388 4.868 30 20 DJED CC[C@@H](CC#N)OC(=O)c1ccc(-c2ccc(C)cc2)cc1F 787086094 IJZBZHJUIINJQG-INIZCTEOSA-N 311.356 4.650 30 20 DJED CCCCCCCCCS(=O)(=O)[C@@H](C)c1cccs1 790171684 ZNHHZPSEZYVVPB-AWEZNQCLSA-N 302.505 4.975 30 20 DJED Cc1cc2ccccc2nc1NN=C1CCC(C(F)F)CC1 799484562 GHQKQKITUJNMBT-UHFFFAOYSA-N 303.356 4.766 30 20 DJED Cc1ccc(-c2nc(/C=C\C(=O)c3cc(C)c(C)o3)co2)cc1 799897532 QCWVPXPKZIWZCU-HJWRWDBZSA-N 307.349 4.756 30 20 DJED N#Cc1ccc(Cl)c(C(=O)OCc2ccc(C(F)F)cc2)c1 803833608 YKOXWPQDWHMQOY-UHFFFAOYSA-N 321.710 4.506 30 20 DJED O=C(/C=C\c1c[nH]c(C(F)(F)F)c1)c1ccc(F)c(Cl)c1 806567088 RPCNGIUGUAQNQM-RJRFIUFISA-N 317.669 4.722 30 20 DJED COc1ccc(C(=O)/C=C/c2cc3ccccc3s2)cc1O 811698813 NNJOJJMHOYRZRC-BQYQJAHWSA-N 310.374 4.512 30 20 DJED Fc1ccc(CC(=NOC2CCC2)c2ccoc2)c(Cl)c1 814937022 RCZBWFWUBNZBMB-UHFFFAOYSA-N 307.752 4.588 30 20 DJED CC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cccc(C#N)c1 903023845 UJQKGOJPXFWSSF-LEWJYISDSA-N 315.420 4.548 30 20 DJED CC(C)COc1cccc(N=Cc2cc3ccccc3nc2O)c1 917557008 TWWSLNZSONNLPN-UHFFFAOYSA-N 320.392 4.726 30 20 DJED CCCC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 1125839638 VKRDFNLEGSEHFQ-QAPCUYQASA-N 312.457 4.576 30 20 DJED CC[C@H](OC(=O)c1ccc(C)c(C#N)c1)c1cccc(Cl)c1 1127722982 UYCDNQUUYQDIAS-KRWDZBQOSA-N 313.784 4.828 30 20 DJED CCSc1cc(Cl)ccc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 1129724494 IANYSNMKCMEJMQ-DGCLKSJQSA-N 323.845 4.691 30 20 DJED N#Cc1cc2c(nc1OCc1cc3ccccc3o1)CCCCC2 1166706663 VDGYGBFEGGRXGQ-UHFFFAOYSA-N 318.376 4.547 30 20 DJED N#Cc1ccccc1-c1ccc(CN(CC2CC2)CC2CC2)cc1 1174714632 DZEVCYWPMJYWJQ-UHFFFAOYSA-N 316.448 4.847 30 20 DJED CC(C)(CNc1cccc(F)c1C#N)c1ccc(Cl)cc1 1184972425 FKQUDLZCLWAOIG-UHFFFAOYSA-N 302.780 4.740 30 20 DJED N#Cc1ccc(Br)c(COc2cccc(Cl)c2)c1 1188209345 ABNXTKWEPJBWMX-UHFFFAOYSA-N 322.589 4.553 30 20 DJED CCC(C)(C)c1ccc(NC(=O)c2cccc(C#N)c2C)cc1 1271446548 AOTUMXOJHKZTFY-UHFFFAOYSA-N 306.409 4.807 30 20 DJED CC(C)[C@@H]1CCc2ccccc2N1CCc1ccc(C#N)cc1 1307657032 SQCRKCSQYMSWEQ-FQEVSTJZSA-N 304.437 4.578 30 20 DJED C=C1CCN(C(=O)Nc2cccc(CSC(C)C)c2C)CC1 1333421826 FOZPXHJHFHHTAS-UHFFFAOYSA-N 318.486 4.821 30 20 DJED CCCC1CCC(N(C(=O)c2ccc(C#N)s2)C(C)C)CC1 1359928645 KOJQIEMUYTXNII-UHFFFAOYSA-N 318.486 4.829 30 20 DJED Cc1cc(N[C@@H]2CCCC2(C)C)n2c(nc3ccccc32)c1C#N 1458218733 GNPXAASXBVBNNP-QGZVFWFLSA-N 318.424 4.658 30 20 DJED CCC[C@@H](CC1CCCC1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 1459747256 FSIOOYYZEKMYCU-ICSRJNTNSA-N 324.468 4.658 30 20 DJED Cc1cc(C#N)cc(NC(=O)N2C[C@H](C(C)C)c3ccccc32)c1 1466839792 SXUXNMUKZABAIE-GOSISDBHSA-N 319.408 4.658 30 20 DJED CC(C)(CC#N)CN[C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 1474571790 WCCWZQNRZOFXBN-NVXWUHKLSA-N 304.865 4.581 30 20 DJED N#CC1(C(=O)NC[C@@H]2CCCC[C@H]2c2ccccc2)CCCCC1 1525817005 UHJMWBHFMFUISH-OALUTQOASA-N 324.468 4.551 30 20 DJED CC(C)(C)C1CCC(CC(=O)Nc2ccc(F)cc2C#N)CC1 1534033466 QLBDYKLZYNWDSB-UHFFFAOYSA-N 316.420 4.878 30 20 DJED Cc1c([C@@H](C)NCc2cc(C#N)cs2)sc2ccccc12 1560432202 SHRCTUCHKFQRPH-GFCCVEGCSA-N 312.463 4.994 30 20 DJED C=C(CNC(=O)N[C@@H]1CCC[C@H](C(C)C)CC1)c1ccccc1 1564611459 WMWFSHVGOALEOH-PKOBYXMFSA-N 314.473 4.604 30 20 DJED CCCN(CC1CCCCC1)C(=O)c1ccc(Cl)c(C#N)c1 1583107359 LQUIFBBBTXFHHE-UHFFFAOYSA-N 318.848 4.644 30 20 DJED C[C@H](CC(C)(C)C#N)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 1621386906 QJDNHGXTOIREQU-FRFSOERESA-N 304.865 4.894 30 20 DJED CC[C@@H](C#N)C(=O)Nc1ccc(Sc2ccc(C)c(C)c2)cc1 1624970572 YHVBGGUTLAAVCE-HNNXBMFYSA-N 324.449 4.943 30 20 DJED CC(C)(C)c1cccc(C(=O)N(CCC#N)c2ccc(F)cc2)c1 1632641337 SRUDPOALMCOFNL-UHFFFAOYSA-N 324.399 4.684 30 20 DJED Cc1cccc(C)c1CSc1nc2c(cc1C#N)CCCC2 1651743454 YUXPHJARAVEKCK-UHFFFAOYSA-N 308.450 4.741 30 20 DJED C[C@@H](Cc1ccc2c(c1)CCCC2)Nc1ccc(CC#N)cc1 1652146846 ZIGWTTYLDSOPMQ-INIZCTEOSA-N 304.437 4.675 30 20 DJED N#Cc1ccc(CSCc2ccc(Br)cc2)s1 1652412139 MLWLLTCSXKDUEY-UHFFFAOYSA-N 324.268 4.816 30 20 DJED CC[C@@H]1CN(Cc2cccc(C#N)c2F)CC[C@H]1c1ccccc1 1652659592 WEYKXENWSSZSRE-OXQOHEQNSA-N 322.427 4.713 30 20 DJED COc1ccccc1[C@@H]1CCCCN1Cc1ccc(C#N)cc1C 1657202020 WIGJSHKNWZJCDL-FQEVSTJZSA-N 320.436 4.603 30 20 DJED Cc1ccc([C@H]2C[C@H](C)CCN2Cc2ccc(CC#N)cc2)o1 1657430806 CSORXPASWWDMKY-DNVCBOLYSA-N 308.425 4.627 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1 25839572 JRLAIDUQIJXZDN-UHFFFAOYSA-N 324.449 4.680 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C)cc(C)c1 152785222 JUFDPRQKWCNNOK-UHFFFAOYSA-N 321.424 4.619 30 20 DJED N#Cc1cc(NCc2cnc(-c3ccco3)s2)ccc1Cl 192759575 NGMGYMCFALVPRG-UHFFFAOYSA-N 315.785 4.540 30 20 DJED Cc1cccc([C@@H](C)CNCc2cccc(OCCCC#N)c2)c1 237376688 YFEZJYLAAIQVJQ-SFHVURJKSA-N 322.452 4.571 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)s1 255070761 AWMWFFVLZAAFGO-SREVYHEPSA-N 307.296 4.535 30 20 DJED N#CCOc1ccc(CN[C@@H](c2ccccc2)C2CCCC2)cc1 264648264 XOIJAZQNBSRWKP-NRFANRHFSA-N 320.436 4.610 30 20 DJED CCC(CC)c1cc(CN[C@H](CC)c2ccc(C#N)cc2)on1 278896810 ZABTZPBMMQYMAR-GOSISDBHSA-N 311.429 4.691 30 20 DJED C[C@@H](Nc1ccc(F)cc1C#N)c1cccc(C(F)(F)F)c1 317338089 FSWRTFALLXYDFL-SNVBAGLBSA-N 308.278 4.889 30 20 DJED CC[C@H]1CCCC[C@@H]1C(O)=Nc1nc(C2CCOCC2)cs1 329183263 FMISQSOBZPGACN-JSGCOSHPSA-N 322.474 4.842 30 20 DJED C#CC[C@@H](NCc1cccc(-c2cccnc2)c1)c1ccccc1 371088863 PRGFYGLSYSEHLR-JOCHJYFZSA-N 312.416 4.603 30 20 DJED C=CC[C@H](C)N[C@H](c1ccc(Br)s1)C1CC1 381722853 MDCLCLILHOKOTE-ZANVPECISA-N 300.265 4.516 30 20 DJED CC(C)Cn1cc(N[C@@H](C)c2ccc(C#N)cc2)c(C(F)F)n1 435890320 ZHEOCSBVEJVCHR-LBPRGKRZSA-N 318.371 4.521 30 20 DJED C=CCOc1ccc(OCc2ccc(SC)c(OC)c2)cc1 462683854 TXARJEJNBQQTGH-UHFFFAOYSA-N 316.422 4.561 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@@H](c2ccccc2F)C2CCCC2)C1 463236967 KJRCUKKQRSARAR-SIXWZSSISA-N 300.421 4.729 30 20 DJED N#CCSCCCN1CCC(c2cccc3ccccc23)CC1 466727934 GJOWCYMTGICNGR-UHFFFAOYSA-N 324.493 4.666 30 20 DJED Cc1ccc(Cl)cc1NC(=O)C[C@H](CC#N)c1ccccc1 474095743 NJXQNSZNBXAEDO-HNNXBMFYSA-N 312.800 4.675 30 20 DJED CCN(C(=O)C[C@H](CC#N)c1ccccc1)c1cccc(C)c1C 475114288 HBASNWSVSPXJCP-IBGZPJMESA-N 320.436 4.744 30 20 DJED C=C(C)[C@H](NCc1cccc2cc[nH]c12)c1ccc(F)c(F)c1 479420188 IHMGBWRDFHFNIG-SFHVURJKSA-N 312.363 4.853 30 20 DJED Cc1ccccc1[C@@H](CC(C)C)NCc1ccc(C#N)c(F)c1 484077637 WBCNJBLHSSZQLA-HXUWFJFHSA-N 310.416 4.883 30 20 DJED C=CCSc1ccccc1C(=O)NCc1coc2ccccc12 489076444 IEUYHAFBFOOBNI-UHFFFAOYSA-N 323.417 4.641 30 20 DJED CC[C@@H](C)CCC(=O)Nc1ccccc1SC[C@H](C)C#N 511879299 OMFOBTUXPJGKIM-ZIAGYGMSSA-N 304.459 4.703 30 20 DJED C=C1CCN([C@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 532556508 LKOKCGLIGCSOMU-QGZVFWFLSA-N 320.436 4.652 30 20 DJED C=C(C)COc1cccc(NCc2cc(F)cc3cccnc23)c1 533209009 VEZRQXNVGGTOSW-UHFFFAOYSA-N 322.383 4.941 30 20 DJED C[C@@H](CC#N)N(C)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 543786955 IJTYAKDBLFPBEI-LBPRGKRZSA-N 322.330 4.699 30 20 DJED C=CC[C@H](C(=O)Nc1cccc(CSC)c1)c1ccccc1 547628049 HWQFJGSPWIPUCJ-SFHVURJKSA-N 311.450 4.848 30 20 DJED C=CCCOCCCCc1nc([C@@H]2CCCC[C@@H]2CC)no1 551184306 IQNXFAZNOFBUSH-JKSUJKDBSA-N 306.450 4.669 30 20 DJED C[C@@H](N[C@@H]1CCc2sc(Cl)cc21)c1ccc(C#N)c(F)c1 567403652 NPXNGTSSSVXPTC-YMTOWFKASA-N 320.820 4.750 30 20 DJED CC(C)(NCc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 579859929 MQDOPYOGGUWUHL-UHFFFAOYSA-N 318.342 4.602 30 20 DJED C=CC[C@H](C)NC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 604901065 YRHUJEOWJILBGF-YJBOKZPZSA-N 314.473 4.795 30 20 DJED CCC[C@H](C)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209874 RJCSZEWSHIAJNG-AWEZNQCLSA-N 323.396 4.661 30 20 DJED CC(C)(C#N)CCCN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 610447436 JYZUXVHCJNGLDY-QGZVFWFLSA-N 309.457 4.677 30 20 DJED C=CCCc1ccccc1N[C@@H]1CCc2cc(OC)c(OC)cc21 630059541 URUMJNBJBZNIIL-LJQANCHMSA-N 323.436 4.922 30 20 DJED CSc1ccc(C(=O)/C=C/c2ccc(N(C)C)c(F)c2)cc1 727653975 DIENUQGFERHNNL-VZUCSPMQSA-N 315.413 4.510 30 20 DJED Cc1cc(C(=O)/C=C\c2ccccc2C(F)(F)F)ccc1O 728230270 CJYVUJCMEPSKBG-TWGQIWQCSA-N 306.283 4.616 30 20 DJED Cc1ccnc(-c2ccc(N=Cc3cc(Cl)ccc3O)cc2)n1 734303022 AGEOBSSJARJZRB-UHFFFAOYSA-N 323.783 4.562 30 20 DJED Cc1cccc(C(=O)/C=C\c2ccc(OCC(F)F)cc2)c1 741852098 JPYGFJFJTNNOOG-YFHOEESVSA-N 302.320 4.535 30 20 DJED CCOc1cccc([C@@H](C)/N=C\c2cc3ccccc3nc2O)c1 745011835 AJFYVUMMBZAOIZ-SFDYMUJDSA-N 320.392 4.519 30 20 DJED CC[C@H](NCc1ccc(C#N)cc1)c1cccc(Cl)c1F 763538771 NJOUETAJLJDYPN-INIZCTEOSA-N 302.780 4.592 30 20 DJED CC(CCc1ccsc1)=NNc1ccc(C(F)(F)F)cn1 764894596 BQXQXRKGYKTTNR-UHFFFAOYSA-N 313.348 4.583 30 20 DJED CCCCCCCCCN(C)C(=O)c1cnn(C(C)C)c1C 770694198 MSXOZHZKFSSFJT-UHFFFAOYSA-N 307.482 4.595 30 20 DJED CC[C@@](C)(C#N)C(=O)Oc1ccc([C@H](C)c2ccccc2)cc1 796979042 ALIAYUHEUBJDNJ-QRWLVFNGSA-N 307.393 4.684 30 20 DJED Cc1nn(C(C)C)cc1/C=C1\CCc2c(Cl)cccc2C1=O 798370814 YKBCKNHSVONECB-UKTHLTGXSA-N 314.816 4.638 30 20 DJED CSC1(C=NNc2ccnc3cc(Cl)ccc23)CCC1 800805634 WTPCNRJKTIMGRZ-UHFFFAOYSA-N 305.834 4.572 30 20 DJED Clc1cnc(NN=Cc2cc3ccccc3o2)c(Cl)c1 812419233 IMXJJCIPXGCCIT-UHFFFAOYSA-N 306.152 4.581 30 20 DJED CC[C@H](C#N)Oc1cccc(CNCc2ccc(C3CC3)cc2)c1 838958526 PFMFOHPOJFPIFT-HXUWFJFHSA-N 320.436 4.535 30 20 DJED CC[C@H](c1ccc(F)cc1)[S@](=O)CCCCC1(C#N)CCC1 899392188 QOPCQIULTWXROP-VGOFRKELSA-N 321.461 4.890 30 20 DJED CCc1ccc(C=NOCc2coc(-c3cccc(F)c3)n2)cc1 914571853 MZLKAXVZJLKRLX-UHFFFAOYSA-N 324.355 4.594 30 20 DJED CCC(CC)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915199892 OFEGMVPRYFCEJT-IBGZPJMESA-N 306.409 4.717 30 20 DJED CC(=NNc1nccc2sccc12)c1ccc(Cl)s1 915980652 XPCIEINJHFVLJG-UHFFFAOYSA-N 307.831 4.847 30 20 DJED CCCCCCCC(=O)OCc1csc(-c2ccco2)n1 919223183 QWNLFEPRDWSZOU-UHFFFAOYSA-N 307.415 4.807 30 20 DJED CCc1cc(C#N)c(NC(=O)[C@H](CC)CC2CCCC2)s1 1125351910 UQYJBOGUMNSTQI-CYBMUJFWSA-N 304.459 4.727 30 20 DJED COc1ccc(CSc2ccc(C#N)c(C(F)(F)F)c2)cc1 1165909955 QUMSPMQTGJXURN-UHFFFAOYSA-N 323.339 4.878 30 20 DJED C[C@@H](Cc1ccccc1C(F)(F)F)Nc1cc(F)cc(C#N)c1 1183323451 ASHYBDJNOYQUKE-NSHDSACASA-N 322.305 4.759 30 20 DJED C[C@@H]1C[C@@H](CC(=O)OCc2cc(C#N)ccc2F)CC(C)(C)C1 1265727452 KGLBKQQWQXDEKX-HIFRSBDPSA-N 317.404 4.593 30 20 DJED C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1ccc(Cl)cc1C#N 1307809131 BYTZSRAYMCZYNU-CJNGLKHVSA-N 304.865 4.858 30 20 DJED CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc(-c2cccs2)s1 1323987783 BBSRHWHORZENRV-INIZCTEOSA-N 318.467 4.535 30 20 DJED CC(C)CN(C(=O)[C@@H]1CCCCC1(C)C)c1ccc(C#N)cc1 1358199631 XSUMYTMTAXEJGH-SFHVURJKSA-N 312.457 4.764 30 20 DJED CC[C@H](Nc1nc(C)c(C#N)cc1Cl)c1ccc(F)cc1 1458274625 CZLJGLXKDYVXDO-HNNXBMFYSA-N 303.768 4.617 30 20 DJED CCC[C@@H](CNc1ccc(Oc2ccccc2)c(C#N)c1)OC 1462130335 XYTYDXZWCLKATC-SFHVURJKSA-N 310.397 4.578 30 20 DJED CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)C2(C#N)CCCCC2)C1 1462160750 NHXMCGBOOFOHCB-KRWDZBQOSA-N 324.468 4.712 30 20 DJED CC(C)CC[C@@H]1CCCCN1C(=O)c1ccc(C#N)c(Cl)c1 1518961011 VXIMQTNWJJOZIK-INIZCTEOSA-N 318.848 4.643 30 20 DJED CC[C@@H](C)C[C@H](C)NC(=O)c1sc2ccc(C#N)cc2c1C 1523513094 YIOUODBLGKBRSB-NEPJUHHUSA-N 314.454 4.636 30 20 DJED Cc1cocc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 1535626675 JCVRPHGCRDXUKJ-UHFFFAOYSA-N 318.332 4.504 30 20 DJED C[C@@H]1C[C@H](CC(=O)OCc2ccc(CC#N)cc2)CC(C)(C)C1 1536935352 OCZHVVLJJRLIMK-CRAIPNDOSA-N 313.441 4.648 30 20 DJED N#Cc1csc(CN[C@@H]2CCCC[C@H]2Cc2ccccc2)c1 1560311042 GQUFEKVJOSRWKO-PKOBYXMFSA-N 310.466 4.511 30 20 DJED C[C@@H](C[C@@H]1CCOC1)Nc1ccc(Oc2ccccc2)c(C#N)c1 1652269157 ACVCESYPSOQMIP-HOTGVXAUSA-N 322.408 4.578 30 20 DJED CC[C@@H]1CCCC[C@H]1C=NNc1ccc(Cl)c(C(=O)O)c1 1776033999 FMWXJIOAYSKRDZ-NEPJUHHUSA-N 308.809 4.652 30 20 DJED Cc1ccc(N[C@H](C)c2ccc(OCC#N)cc2)c(Cl)c1 37245030 NVDOFRCCCFBHQK-CYBMUJFWSA-N 300.789 4.724 30 20 DJED CC(C)c1ccccc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 43229815 KPKMVQURNJLXEX-AWEZNQCLSA-N 307.397 4.564 30 20 DJED Cc1csc([C@H](C#N)C(=O)c2oc3c(C)ccc(C)c3c2C)n1 66504253 CJOBGULZHXFLGP-CYBMUJFWSA-N 324.405 4.613 30 20 DJED C=CCOc1cccc(NC(=O)N[C@H](c2ccccc2)C(C)C)c1 72025783 VYUBIICRFKXRSR-IBGZPJMESA-N 324.424 4.770 30 20 DJED C=CCCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 73088886 CXSJPKIOFKZBRN-ZDUSSCGKSA-N 316.813 4.606 30 20 DJED CC[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccc(C)cc1 78372148 ZUKLFGSLKKTIOA-NRFANRHFSA-N 321.468 4.586 30 20 DJED C[C@H](C#N)Oc1ccc(CN[C@@H](c2ccccc2)C2CCC2)cc1 105430588 DZGUJJGTCONCEI-IERDGZPVSA-N 320.436 4.608 30 20 DJED C[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1SCCC#N 112014681 SJQORWMBHRILKE-HNNXBMFYSA-N 324.449 4.510 30 20 DJED Cc1nnc(S[C@@H](C#N)C2CCCCC2)n1C1CCCCC1 115184695 MXTXNIRIVXUWQE-INIZCTEOSA-N 318.490 4.656 30 20 DJED C[C@H](C(=O)Nc1cc(C(C)(C)C)sc1C#N)c1ccccc1 121566328 MIGLBIYKBSPLAJ-LBPRGKRZSA-N 312.438 4.659 30 20 DJED C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N(C)CCC#N 133532997 DZQGGXRTAKYRNY-SNVBAGLBSA-N 324.211 4.555 30 20 DJED C=CCC(CC=C)C(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 150941792 ACRIFCBVHFQYBY-KSSFIOAISA-N 301.405 4.504 30 20 DJED CC[C@@H](CC(=O)N[C@H](CCC#N)c1ccccc1)c1ccccc1 153343317 MRXQBMXYDUWUHP-FXAWDEMLSA-N 320.436 4.732 30 20 DJED CC(C)c1nccn1Cc1cccc(NCC(C)(C)CCC#N)c1 156735838 RNFLQKVJWJDKTB-UHFFFAOYSA-N 324.472 4.797 30 20 DJED N#Cc1csc(CN[C@@H](Cc2ccccc2)c2ccccc2)c1 177681263 RYGPBHADJFIYNG-FQEVSTJZSA-N 318.445 4.693 30 20 DJED C[C@@H](Nc1cccc(CC(F)(F)F)c1)c1ccc(C#N)cc1 179974603 GTPXQXCWSKOPFP-GFCCVEGCSA-N 304.315 4.836 30 20 DJED Cc1cc(C(F)(F)F)ccc1CN(CCC#N)Cc1ccco1 191039064 GKFZRUITYVPOQL-UHFFFAOYSA-N 322.330 4.523 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@H](C)c1ccc(C#N)cc1 195614529 PCKCOAIRWLITCQ-RDTXWAMCSA-N 308.425 4.824 30 20 DJED COc1cc(/C=C\C(=O)c2oc3ccccc3c2C)cc(OC)c1 205512334 IXXZBDQXEOEXIC-HJWRWDBZSA-N 322.360 4.655 30 20 DJED Cc1cc(/C=C2/CSc3ccc(F)cc3C2=O)cc(C)c1O 211186117 FVMCAJHIOSWQHH-QPEQYQDCSA-N 314.381 4.520 30 20 DJED C[C@@H]1CCC[C@H](C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)C1 246559012 LYSZYMYYPJURGF-KBMXLJTQSA-N 324.449 4.813 30 20 DJED N#Cc1csc(C(=O)N(c2ccsc2)C2CCCCC2)c1 278530598 RQRKYORMPNUWRZ-UHFFFAOYSA-N 316.451 4.661 30 20 DJED CC(C)c1ccc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)c(C(C)C)c1 425626734 YUBLHJSMBTYMNH-GOEBONIOSA-N 313.445 4.747 30 20 DJED N#C[C@@H](CCc1ccccc1)C(=O)Nc1cccc(C2CCC2)c1 428493821 JMBYOMHWWSZOIQ-LJQANCHMSA-N 318.420 4.665 30 20 DJED N#CCSCCCN1CCCCC[C@@H]1/C=C\c1ccccc1 441174072 CODAGMLMVPOCSZ-YAINUAMHSA-N 314.498 4.591 30 20 DJED N#C[C@H]1CC[C@@H](Nc2cccc(CSC3CCCC3)c2)C1 442849261 BQGXMOLDQHEBDF-WMLDXEAASA-N 300.471 4.967 30 20 DJED C=CCCCC(=O)Nc1cc(Cl)c(C)cc1Br 445955290 UFFPPSLTUMDXKC-UHFFFAOYSA-N 316.626 4.706 30 20 DJED C=CCC(CC=C)C(=O)NC(c1ccccc1)c1ccccc1 467732811 RPVYANCIVLYXOE-UHFFFAOYSA-N 305.421 4.661 30 20 DJED C=CCCCC[C@@H](C)N[C@H](C)c1nc(C(F)(F)F)cs1 467736808 XYCJDPXLPRARTC-GHMZBOCLSA-N 306.397 4.947 30 20 DJED Cc1cccc([C@@H](C)NC(=O)c2ccc(C(C)(C)C#N)cc2)c1C 476066177 XIVKHYKMSFJHGS-MRXNPFEDSA-N 320.436 4.596 30 20 DJED C[C@H](C(=O)Nc1ccc(Cl)c(C#N)c1)c1cc2ccccc2o1 482147773 FHBNJWXDEZBJLF-NSHDSACASA-N 324.767 4.700 30 20 DJED CC[C@H](Cc1ccccc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 522127625 MOJFGUHTBWUENK-QGZVFWFLSA-N 320.436 4.695 30 20 DJED C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1nccc2ccccc12 589344234 TVTRBMTXTFSCNQ-CYBMUJFWSA-N 321.811 4.611 30 20 DJED CC[C@@H](c1ccccc1)N(C(=O)CCCCCC#N)C(C)C 598884827 GWWOVVKCDINUIK-SFHVURJKSA-N 300.446 4.849 30 20 DJED CC(C)(C#N)CN[C@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 613540323 JXBDBWWRUDMLIK-DOMZBBRYSA-N 311.256 4.769 30 20 DJED Cc1c(COC(C)(C)C)cccc1N[C@@H]1CCC[C@H](C#N)C1 618574013 RUFPDAXNOSXKPA-DOTOQJQBSA-N 300.446 4.804 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCSc2ccc(F)cc21 618802761 KVEHKHJEJBXPMK-ROUUACIJSA-N 324.424 4.511 30 20 DJED CC[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(Cl)c1 618807795 XABXWJNJCQVYNP-RBUKOAKNSA-N 310.828 4.940 30 20 DJED C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1csc(Cl)c1 619755003 QKVOWAXXVLDTOU-SECBINFHSA-N 311.237 4.777 30 20 DJED C=CCN(C(=O)c1sc2cccc(C)c2c1Cl)C1CC1 678495851 FGMCZLBQRLZWLA-UHFFFAOYSA-N 305.830 4.654 30 20 DJED Cc1cc(/C=C/C(=O)c2ccccc2OC(F)F)ccc1F 729148598 CUAMNWQZMUEAMR-VQHVLOKHSA-N 306.283 4.632 30 20 DJED Cc1ccc(C2CC(=NNc3ccc4ccccc4n3)C2)cc1 729818157 IGXKYIFCDAMIHV-UHFFFAOYSA-N 301.393 4.889 30 20 DJED O=C(/C=C/c1ccc(F)cc1)c1nc(-c2ccccc2)cs1 730085347 OTKFJSJHFWQJIZ-DHZHZOJOSA-N 309.365 4.845 30 20 DJED CC(C)c1ccc2c(Cl)c(C(=O)N[C@H](C)CC#N)sc2c1 732656063 RCDRURHEASQBCL-SNVBAGLBSA-N 320.845 4.710 30 20 DJED CC(C)n1cc(C(=O)/C=C\c2ccc(-c3ccccc3F)o2)cn1 746687198 RLTUIONCLDQWRQ-CLFYSBASSA-N 324.355 4.759 30 20 DJED CC(C)(C)OC(=O)Oc1ccc(Oc2ccc(C#N)cc2)cc1 748655511 DAENQPPBFJKNKA-UHFFFAOYSA-N 311.337 4.664 30 20 DJED Cc1cc(F)ccc1/C=C\C(=O)c1ccc(OC(F)F)cc1 750897635 ZFSHDLOEBGJVSF-UITAMQMPSA-N 306.283 4.632 30 20 DJED N#Cc1ccccc1/C=C1/CSc2c(Cl)cccc2C1=O 755595622 ZRWRZMKLQKQJPT-JYRVWZFOSA-N 311.793 4.584 30 20 DJED CCN(C)c1ccc(C(=O)/C=C\c2cnc(C(C)C)s2)cc1 758434420 RNJDWKQSUBVQHM-KHPPLWFESA-N 314.454 4.619 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2ccccc2OC2CCCC2)s1 762437109 BXCYRYKNRNFTBD-PKNBQFBNSA-N 323.417 4.837 30 20 DJED C#CCOc1ccc([C@H](C)N[C@@H](CC)c2ccccc2OC)cc1 764882620 NTMQVKINMLENIW-JXFKEZNVSA-N 323.436 4.509 30 20 DJED C/C=C(/C=C/C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)CC 765437402 KGFZTCSEQFKTEM-AVDWVOFNSA-N 323.223 4.587 30 20 DJED CCc1cccc2c(/C=C/C(=O)c3ccc(C#N)c(F)c3)c[nH]c12 776726926 QNZTVTJRFTXLDU-CMDGGOBGSA-N 318.351 4.637 30 20 DJED CC(C)n1nccc1/C=C\C(=O)c1ccc(SC(F)F)cc1 794943269 WMFFMSACVDVXSE-YVMONPNESA-N 322.380 4.675 30 20 DJED c1cncc([C@H]2CCCC(=NNc3nc4ccccc4s3)C2)c1 799866142 VNDFKMFXSKOQBW-ZDUSSCGKSA-N 322.437 4.817 30 20 DJED COc1ccc(C(=O)/C=C\c2csc3ccccc23)cc1OC 810195647 AJHYSKSSLZJWNI-CLFYSBASSA-N 324.401 4.815 30 20 DJED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1SC(C)(C)C 818355827 JEQWQWKMVDKZRI-SOUVJXGZSA-N 302.487 4.920 30 20 DJED CC(C[C@H]1CCOC1)=NNc1ccc(Cl)c(C(F)(F)F)c1 844607284 UPKSUKODWOTTSO-SNVBAGLBSA-N 320.742 4.573 30 20 DJED CC(C)O[C@H](CNc1ccccc1O[C@@H](C)C#N)c1ccccc1 877183708 HJTXKYSQAQRKFG-OXJNMPFZSA-N 324.424 4.556 30 20 DJED CC[C@H](OC(=O)c1sccc1C#N)C(C)(C)c1ccccc1 1126284441 XKEZHSXRFRRWJM-HNNXBMFYSA-N 313.422 4.533 30 20 DJED CN(CCc1ccc(Cl)cc1)Cc1ccc(C#N)cc1Cl 1238086113 UUKCWWLOWCXDTE-UHFFFAOYSA-N 319.235 4.540 30 20 DJED CC[C@@H](OC(=O)c1ccc(C#N)s1)C(C)(C)c1ccccc1 1265324988 XBFDMGWZOKTGFJ-MRXNPFEDSA-N 313.422 4.533 30 20 DJED CCC[C@H]1[C@H](C)CCCN1Cc1ccc(C#N)cc1OC(F)F 1307548501 WBPPGOMTSQMGNG-CJNGLKHVSA-N 322.399 4.560 30 20 DJED C[C@]1(C#N)CCCN(Cc2ccc(Oc3cccc(F)c3)cc2)C1 1308635386 PNPNKHLTENHUGH-HXUWFJFHSA-N 324.399 4.744 30 20 DJED N#Cc1cccc([C@@H]2C[C@H]2C(=O)O[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 1351078882 WXAPFBQPZKIUGM-LWASTNQWSA-N 323.436 4.564 30 20 DJED CC(C)c1ccc(/C=C/CC(=O)Nc2ccc(C#N)cc2)cc1 1355066315 MEHCHMLNVHLLQK-ONEGZZNKSA-N 304.393 4.724 30 20 DJED N#Cc1nc(N[C@@H]2CCC[C@H](c3ccccc3)C2)ccc1Cl 1458362624 HDORRFDVKMLVQB-LSDHHAIUSA-N 311.816 4.745 30 20 DJED Cc1ccccc1SCc1cc(C#N)ccc1Br 1458913640 DPHGNFHYNKIEHG-UHFFFAOYSA-N 318.239 4.922 30 20 DJED N#Cc1cccc(CN2CCC(=Cc3ccccc3F)CC2)c1F 1459763213 PWHJOPVEHMWCBO-UHFFFAOYSA-N 324.374 4.516 30 20 DJED C[C@@H](CCC(C)(C)C)C(=O)Nc1cc(C#N)cn1C(C)(C)C 1534571177 LLWAZHCPTGERQS-ZDUSSCGKSA-N 303.450 4.516 30 20 DJED Cc1ccc(C[C@H]2CCCN([C@@H](C)c3ccc(C#N)cc3)C2)cc1 1559512682 YHTVBVXIEJFDIM-GHTZIAJQSA-N 318.464 4.882 30 20 DJED C[C@@H](CNc1c(Br)cccc1C#N)c1ccccc1 1639757245 GUTYZDLGAOQHPF-LBPRGKRZSA-N 315.214 4.536 30 20 DJED C[C@@H](Sc1cccnc1C#N)c1ccccc1Br 1641128172 BYHPAHFLPGRGKI-SNVBAGLBSA-N 319.227 4.569 30 20 DJED C[C@]1(CCc2ccccc2)CCN([C@@H](C#N)c2ccccc2)C1 1641971544 USQVRCIMYOJZIH-SFTDATJTSA-N 304.437 4.596 30 20 DJED N#Cc1cccc(C#N)c1Oc1ccc(OC2CCCCC2)cc1 1642229917 UQVCJNGWYFCFPT-UHFFFAOYSA-N 318.376 4.934 30 20 DJED CCC[C@@H]1CCc2ccccc2N1Cc1ccc(OCC#N)cc1 1644872138 FEANSOJMXXSKRN-LJQANCHMSA-N 320.436 4.710 30 20 DJED CC(C)(C)c1ccc(C#N)c(OCc2cccc(Cl)c2F)n1 1652055050 DYNGTYDBXIUWKB-UHFFFAOYSA-N 318.779 4.622 30 20 DJED Cc1cc(C#N)cc(NC(=O)N(CCC(C)C)C2CCCC2)c1 1672285560 VVMRNWZPTYACFO-UHFFFAOYSA-N 313.445 4.689 30 20 DJED N#Cc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1 14908487 NMTGNJSNTPXHTD-UHFFFAOYSA-N 314.344 4.603 30 20 DJED N#Cc1ccccc1-c1ccc(CSC2=NCCS2)cc1 23443673 PHMGMPDVYPPFCV-UHFFFAOYSA-N 310.447 4.561 30 20 DJED COc1ccc(/C=C/C(=O)c2oc3ccccc3c2C)cc1F 26763469 HXXXYALJPYOUFG-VQHVLOKHSA-N 310.324 4.785 30 20 DJED CC(C)(C)c1csc(NC(=O)c2ccccc2Cl)c1C#N 75296931 PFAKAFSUBJEYIW-UHFFFAOYSA-N 318.829 4.823 30 20 DJED CC(C)(C)c1cc(NC(=O)CCc2cccs2)c(C#N)s1 91208960 LPBVUKLMHULTEF-UHFFFAOYSA-N 318.467 4.550 30 20 DJED O=C(/C=C\c1cnn(-c2ccccc2)c1)c1cccc2ccccc12 169411067 KNQLGZQHCCQQBI-YPKPFQOOSA-N 324.383 4.922 30 20 DJED N#CCCCCN[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 180430551 RHPYRCSWEQAQMW-GOSISDBHSA-N 316.807 4.852 30 20 DJED C[C@@H](NCC(C)(C)Cc1ccccc1)c1ccc(OCC#N)cc1 181972178 GPWWDTOUTRUTLY-QGZVFWFLSA-N 322.452 4.508 30 20 DJED C=CC[C@H](CC)NC(=O)c1ccc(C2SCCCS2)cc1 281544874 YPNCDYMZEIDEDL-HNNXBMFYSA-N 321.511 4.640 30 20 DJED C[C@@H]1C[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)c2ccccc21 341681617 HBDZVKWAWLOUHF-XMDBHEJHSA-N 302.421 4.774 30 20 DJED C=CCC[C@@H](NCc1ccc(-c2csc(C)n2)o1)C1CC1 358024602 RKHDTFJYUFNFCI-OAHLLOKOSA-N 302.443 4.546 30 20 DJED C=CC[C@H](CC)NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 410124482 WTMGRKNOOOGVBV-WFASDCNBSA-N 313.363 4.670 30 20 DJED CO[C@H](CNc1ccc(Cl)cc1C#N)c1ccc(Cl)cc1 462894453 HUIKCVZQCUTNMF-MRXNPFEDSA-N 321.207 4.665 30 20 DJED N#C[C@@H]1CCC[C@@H](N[C@H](Cc2ccccc2)c2ccccc2F)C1 463237130 KFKBCVWRKZWVNS-DBXWQHBBSA-N 322.427 4.781 30 20 DJED C[C@@H](NCCc1cccc(C#N)c1)c1cc2ccccc2s1 467438027 YGMIZVYTOQRTOY-CQSZACIVSA-N 306.434 4.666 30 20 DJED C=CCCCCCN(C)C(=O)N[C@H]1CCCc2sccc21 468459195 KMMYHBQEZBIDIP-HNNXBMFYSA-N 306.475 4.513 30 20 DJED CC[C@](C)(C#N)c1nc(-c2cccc(Oc3ccccc3)c2)no1 504215672 KQIXLWVGRDLRRC-LJQANCHMSA-N 319.364 4.720 30 20 DJED CSc1ccc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 537620279 QANYZPQQQJBADH-PMACEKPBSA-N 322.477 4.680 30 20 DJED CCc1ccc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 552969983 BEIUVPGVTBIFRG-YCRPNKLZSA-N 304.437 4.849 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1ccc(C2=CCCC2)cc1 573613441 SAKLQXIJTCPGBP-UHFFFAOYSA-N 302.377 4.686 30 20 DJED CCC[C@@H](NC[C@H](C#N)CCC#N)c1cccc(C(F)(F)F)c1 578740375 FAKMWWNRZMAZFF-XJKSGUPXSA-N 323.362 4.580 30 20 DJED CC(C)(CCC#N)CNCC[C@H](c1ccccc1)C(F)(F)F 581119815 OAPDFBGYISCQDF-OAHLLOKOSA-N 312.379 4.642 30 20 DJED Cc1ccc(C(C)C)c(OCCCC2(C#N)CCOCC2)c1 581443932 VWKXMPSZQLOSOT-UHFFFAOYSA-N 301.430 4.598 30 20 DJED CCCCc1ccc(C(=O)Nc2sc(CC)cc2C#N)cc1 604028736 OAMFUHCLLKWLDM-UHFFFAOYSA-N 312.438 4.777 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(CC)c1 615472342 WUMKYHJWTOHEAQ-UHFFFAOYSA-N 312.388 4.608 30 20 DJED Cc1cc([C@H](C)NCc2ccc(C#N)c(Cl)c2)c(C)s1 619755029 RDGMHSJOLBDDSN-NSHDSACASA-N 304.846 4.741 30 20 DJED N#Cc1ccc(NC(=O)/C=C\c2ccc(Cl)s2)cc1Cl 706370344 OUEHZJNYDMXKBQ-XQRVVYSFSA-N 323.204 4.578 30 20 DJED COc1ccc2oc(C(C)=NNc3cccc(C)c3)c(C)c2c1 729140490 FTKIDXJCJIMNNZ-UHFFFAOYSA-N 308.381 4.894 30 20 DJED CCOc1cccc(C=Nc2ccc(SC(F)F)cc2)c1O 730545836 JGNJCFLWVODIIC-UHFFFAOYSA-N 323.364 4.856 30 20 DJED O=C(/C=C\c1ccc(C(F)(F)F)s1)c1ccccc1F 761473316 CNOWQRNLXQZGEC-ALCCZGGFSA-N 300.276 4.802 30 20 DJED CC(C)(C#N)CCCCOC(=O)c1cc2cc(Cl)ccc2[nH]1 768541484 DUUWKZMIGISUGY-UHFFFAOYSA-N 318.804 4.698 30 20 DJED C#CC[C@H](N[C@@H](C)c1ccc(OC(F)F)cc1)c1ccccc1 773104517 DPQHQJFPEGNAFL-KSSFIOAISA-N 315.363 4.703 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccccc2C(F)(F)F)cc1F 776730015 ZCPFFGKISRVZCV-FPLPWBNLSA-N 319.257 4.612 30 20 DJED CC(=NNc1ncccc1C)c1ccc(SCC(F)F)cc1 790188341 XTISLVWWOIRQBM-UHFFFAOYSA-N 321.396 4.583 30 20 DJED C=CCC(C)(C)C(=O)OCc1csc(-c2cccs2)n1 796463841 ZLARPAVXZMMEOQ-UHFFFAOYSA-N 307.440 4.517 30 20 DJED N#Cc1ccccc1C(=O)/C=C/c1cscc1C(F)(F)F 811690549 DNYUTSDEBWOACE-AATRIKPKSA-N 307.296 4.535 30 20 DJED Cc1ccc(C(=O)N(C(C)C)[C@@H](C)c2ccsc2)cc1C#N 817486013 SVFSQWAMDAPDHS-AWEZNQCLSA-N 312.438 4.540 30 20 DJED Fc1ccccc1C=NNc1nc(Cl)c(Cl)cc1Cl 916319083 CNNXJKIOWNSXBS-UHFFFAOYSA-N 318.566 4.627 30 20 DJED CC(=NN[C@@H](C)c1ccccc1)c1ccc(Br)s1 920385685 GBRXZVYQOYEAIS-JTQLQIEISA-N 323.259 4.585 30 20 DJED CC(C)(C#N)CCCCN[C@@H]1CC2(CCC2)Oc2ccccc21 932215073 TTYJXEPSSNHZQP-QGZVFWFLSA-N 312.457 4.743 30 20 DJED N#CC1(C(=O)NCC2(C3CCCCC3)CCCCC2)CCCC1 1127702550 UAPROPLQWJZWTJ-UHFFFAOYSA-N 316.489 4.717 30 20 DJED N#Cc1ccc(CCSc2cccc(Br)c2)cc1 1307300779 AUDNLBYSMYZFBT-UHFFFAOYSA-N 318.239 4.656 30 20 DJED CCN(Cc1ccc(-c2ccccc2C#N)cc1)C1CCCC1 1307756753 GCYHPVQNACFHLE-UHFFFAOYSA-N 304.437 4.990 30 20 DJED Cc1cc(C#N)ccc1CN[C@@H](c1cccc(F)c1)C(C)(C)C 1320565712 MPOHUWUOGFSIFJ-IBGZPJMESA-N 310.416 4.883 30 20 DJED CC(C)N(Cc1ccc(Cl)c(Cl)c1)CC1(CC#N)CC1 1459318700 RIFQAHJXOGUTDA-UHFFFAOYSA-N 311.256 4.898 30 20 DJED CCN(c1ccc(Nc2nc(Cl)c(C#N)s2)cc1)C(C)C 1472651572 XKYHOTJXSKFIMA-UHFFFAOYSA-N 320.849 4.646 30 20 DJED CC(C)Oc1ccc([C@@H](C)NCCC2(C#N)CCCCC2)cc1 1473339535 BYGYZVFRMHKSOZ-QGZVFWFLSA-N 314.473 4.989 30 20 DJED C[C@H](CCN1CCC(c2ccc(C#N)cc2)CC1)c1ccccc1 1474728590 ZJUAWNGJXPWOAM-GOSISDBHSA-N 318.464 4.931 30 20 DJED CCc1cccc(NC(=O)Nc2cc(C#N)ccc2OC(C)C)c1 1476040255 DSSFKAUUTSSFSP-UHFFFAOYSA-N 323.396 4.552 30 20 DJED CC(C)(C)c1cc(NC(=O)c2ccc3c(c2)CCC3)c(C#N)s1 1527552825 WVKNTXNSCAWAMA-UHFFFAOYSA-N 324.449 4.658 30 20 DJED N#CCc1ccc(NC(=O)C2=C(c3ccccc3)CCCC2)cc1 1531329711 LZCJAAAMGCGLLD-UHFFFAOYSA-N 316.404 4.719 30 20 DJED Cc1c(C#N)cccc1NCc1ccc(-c2ccccc2F)o1 1620954862 JGYRDAVXNZSEIG-UHFFFAOYSA-N 306.340 4.878 30 20 DJED C[C@@H](CC(C)(C)C#N)N[C@H](C)Cc1ccccc1C(F)(F)F 1621197309 DZDOCUXRJUWJJT-OLZOCXBDSA-N 312.379 4.554 30 20 DJED CC(C)(C)[C@H]1Cc2ccccc2N(Cc2cccc(C#N)c2F)C1 1648020195 PDUYCVVPWLNCBQ-SFHVURJKSA-N 322.427 4.922 30 20 DJED CCC(CC)n1ccc(CN(CC(C)C)c2ccc(C#N)cc2)n1 1657656811 HRVHTIJRBLGNBS-UHFFFAOYSA-N 324.472 4.778 30 20 DJED CC[C@H](Cc1ccc(C)cc1)N(C)Cc1ccc(C#N)c(C)c1 1658236161 YIMYOSDZAZACRJ-OAQYLSRUSA-N 306.453 4.628 30 20 DJED CC(C)(C)c1ccc(C(=O)/C=C/c2csc(C(=O)O)c2)cc1 1776119971 QXPGWLNWRNCQGC-RUDMXATFSA-N 314.406 4.640 30 20 DJED CC[C@@H](C)c1ccc(C(=O)/C=C\c2cc(C(=O)O)c(C)o2)cc1 1776700031 PIODWQXLYSXBFK-ZWLSGLHFSA-N 312.365 4.696 30 20 DJED CCOc1cc(/C=C/C(=O)c2cc3ccccc3o2)ccc1OC 6207277 HNFNQNGNHIAAAD-CSKARUKUSA-N 322.360 4.736 30 20 DJED C=CCNC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 48389531 UGQOJLHPSLRPLQ-UHFFFAOYSA-N 320.628 4.777 30 20 DJED C=CCN(CCc1ccccc1)C(=O)c1ccc(C(C)C)cc1 60163625 VJJMOBFMDKGAIS-UHFFFAOYSA-N 307.437 4.681 30 20 DJED C=C(C)CNc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 63462377 ZBNJNQHFXJETQU-UHFFFAOYSA-N 324.302 4.539 30 20 DJED Cc1cc(F)ccc1C(=O)Nc1cc(C(C)(C)C)sc1C#N 91208330 XVHVLMBAXASCLD-UHFFFAOYSA-N 316.401 4.617 30 20 DJED O=C(/C=C\c1ccc2c(c1)OCCO2)c1ccc2ccccc2c1 108932562 XNKOPAZZQXISAN-UITAMQMPSA-N 316.356 4.507 30 20 DJED C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 124884737 HCFCPNLUTGJHHA-CHWSQXEVSA-N 318.342 4.989 30 20 DJED C#CCCCC(=O)Oc1ccccc1-c1nc2ccccc2s1 192070927 FRULMCAEYHBRSP-UHFFFAOYSA-N 321.401 4.672 30 20 DJED CC(C)(C)Sc1ccc(NC(=O)NCCCCC#N)cc1F 296747220 IETOUUKJBVJNBG-UHFFFAOYSA-N 323.437 4.532 30 20 DJED CC1(C)CCCC[C@@H]1C/C(O)=N/[C@@H]1CCC(O)=NC12CCC2 328736639 JUXCJOUPWXRHDJ-ZIAGYGMSSA-N 306.450 4.591 30 20 DJED C[C@H]1C[C@@H]1c1ccc(CNc2ccc(C#N)c(C(F)(F)F)c2)o1 390385770 ZKLHJGNQRKRTIX-HZMBPMFUSA-N 320.314 4.906 30 20 DJED N#CC1(CCN2C(=O)c3cccc4cccc2c34)CCCCC1 418786885 INIPRVSKZYANQU-UHFFFAOYSA-N 304.393 4.664 30 20 DJED COc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)c(Cl)c1 424266625 LEEOKWBKCAETQX-CHWSQXEVSA-N 314.816 4.632 30 20 DJED CCCc1nc(CSCc2cccc(F)c2C#N)cs1 427855113 BZGWJTBIHOWAPU-UHFFFAOYSA-N 306.431 4.540 30 20 DJED Cc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1 436468297 FSDYNAGOGMPOAT-UHFFFAOYSA-N 317.392 4.506 30 20 DJED N#C[C@@H]1CC[C@@H](N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 442777742 AAZFYUTWJSHOTL-ZMYBRWDISA-N 310.828 4.711 30 20 DJED Cc1cc(NC(=O)N(C)CC(C)(C)C#N)ccc1-c1ccccc1 455141942 MHZLBVZJWYBOSH-UHFFFAOYSA-N 321.424 4.676 30 20 DJED CC(C)c1ccc(CC2CCN(C[C@H](C#N)CCC#N)CC2)cc1 462458347 UOJZXVQNCDREQG-FQEVSTJZSA-N 323.484 4.508 30 20 DJED C=CCOc1ccc(Oc2ccnc(-c3ccccc3)n2)cc1 462940531 IHAHEUYVIJYNCF-UHFFFAOYSA-N 304.349 4.501 30 20 DJED C=CCCN(C)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C 466576423 MNIHBSUADOTVRK-AWEZNQCLSA-N 306.475 4.925 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2nc(C)cs2)cc1 467950229 UDPRGMWFBVUBJF-KRWDZBQOSA-N 300.427 4.659 30 20 DJED CCC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 471619023 MCBWLPQGMDTXEM-WQVCFCJDSA-N 310.363 4.828 30 20 DJED N#CC[C@@H](CC(=O)Nc1cccc2ccccc12)c1ccccc1 474418058 REDIEVYNWDHPRK-SFHVURJKSA-N 314.388 4.866 30 20 DJED CC(C)Cc1ccc([C@@H](NCc2cc(C#N)n(C)c2)C(C)C)cc1 480660006 HGWVTDOTBMEUGQ-NRFANRHFSA-N 323.484 4.582 30 20 DJED CC(C)(CCCc1ccccc1)C(=O)Nc1ccc(CC#N)cc1 494118313 BZMNGPTVXXUBMS-UHFFFAOYSA-N 320.436 4.740 30 20 DJED CC(C)[C@H](C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 498104704 CGQWSHYHEPIGJP-AWEZNQCLSA-N 308.381 4.581 30 20 DJED N#Cc1ccc(SCc2cc(Br)ccc2F)cc1 520016923 XXVWROJNSJRZEZ-UHFFFAOYSA-N 322.202 4.752 30 20 DJED C[C@H](C#N)CSc1ccccc1NCc1ccc(Cl)cn1 520583546 VUIVHEVMJVNTKB-GFCCVEGCSA-N 317.845 4.599 30 20 DJED C=CCOc1cccc(NC(=O)N2CCC[C@H](C(C)C)CC2)c1 522290979 RIUNKDFDJBTBBP-INIZCTEOSA-N 316.445 4.541 30 20 DJED CN(c1ccccc1NCc1ccc(C#N)cc1F)C1CCCC1 533309225 RGRQSWKYSWWPFK-UHFFFAOYSA-N 323.415 4.688 30 20 DJED C=C[C@H](CC(=O)Nc1ccccc1OC(C)C)c1ccccc1 535359743 TXWLMQYHBQRMAZ-MRXNPFEDSA-N 309.409 4.772 30 20 DJED N#CCCCN[C@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 543427377 ZMZUOWBVSZZTMZ-HOTGVXAUSA-N 310.363 4.625 30 20 DJED CC[C@H](CC(F)(F)F)Nc1ccc(C#N)cc1C(F)(F)F 546176703 NIVYOJFDILYZAX-SECBINFHSA-N 310.241 4.720 30 20 DJED C=CCC(C)(C)c1noc(-c2ccc(Oc3ccccc3)nc2)n1 551141167 ZMWNBNCKDCGNOJ-UHFFFAOYSA-N 321.380 4.778 30 20 DJED CC(C)(C#N)CCSCCOc1ccc(F)cc1Cl 562891518 SYIMSHNOMRUECM-UHFFFAOYSA-N 301.814 4.531 30 20 DJED CCc1ccc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)o1 580262220 PNUIVSGMFMHNMM-UHFFFAOYSA-N 319.364 4.513 30 20 DJED CCC[C@@H](C)CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604528307 VMAPELOASIGGQE-CQSZACIVSA-N 323.396 4.510 30 20 DJED N#C[C@H](Cc1ccccc1)SCc1cccc(OC(F)F)c1 610541462 RCGSHMSABUOQDN-INIZCTEOSA-N 319.376 4.656 30 20 DJED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cscc1Cl 611276717 XZRYPSIVIKHJJM-RDJZCZTQSA-N 316.857 4.673 30 20 DJED Cc1c(NN=Cc2c(Cl)cccc2Cl)cccc1[N+](=O)[O-] 727973191 UHIWLYVNIDJXKW-UHFFFAOYSA-N 324.167 4.656 30 20 DJED Cc1cccc2c1C/C(=C/c1cccc(C(F)(F)F)c1)C2=O 729149110 CMHTWOUTYPABNB-JYRVWZFOSA-N 302.295 4.836 30 20 DJED C=CCN(CC1CCCCC1)C(=S)Nc1cccc(C)c1 732625972 WQHODXHGHXUZOQ-UHFFFAOYSA-N 302.487 4.760 30 20 DJED N#Cc1ccc2c(c1)CC/C(=C/c1ccc3ccccc3c1)C2=O 742437743 QRHUQHCVMDBNTJ-NDENLUEZSA-N 309.368 4.924 30 20 DJED N#Cc1ccccc1SCc1c(F)c(F)c(F)c(F)c1F 743454094 FBWCJGHQEAMGPT-UHFFFAOYSA-N 315.266 4.546 30 20 DJED C#Cc1cccc(NCc2cc(-c3ccc(Cl)cc3)no2)c1 749261689 RZWRVDVDVXTBGT-UHFFFAOYSA-N 308.768 4.588 30 20 DJED CCOc1ccc(/C=C\C(=O)c2c[nH]c3cc(F)ccc23)cc1 749451426 CRSFSRGXZWSVJX-YHYXMXQVSA-N 309.340 4.602 30 20 DJED O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])CSc2ccccc21 750899401 DGCYISXMXPAPHR-OSICMAOHSA-N 323.373 4.523 30 20 DJED C#CCCCCC(=O)Nc1ccccc1O[C@H](C)c1ccccc1 773384672 LAFWLRIPSRIKJL-QGZVFWFLSA-N 321.420 4.959 30 20 DJED C#CCCCCC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 773393248 WMZBHQKFJCDPPA-GOSISDBHSA-N 317.860 4.977 30 20 DJED CC(=O)Nc1ccc(C(=O)/C=C\c2csc3ccccc23)cc1 781552667 CDGRNVVEGITWLA-FLIBITNWSA-N 321.401 4.756 30 20 DJED C=C[C@](C)(CC)C(=O)OCc1csc(-c2ccsc2)n1 785757592 LLUBNOGKVGUEDV-OAHLLOKOSA-N 307.440 4.517 30 20 DJED N#Cc1ccc(SCc2ccc([N+](=O)[O-])c(F)c2)c(Cl)c1 787491642 MTNHYILYRZIOPT-UHFFFAOYSA-N 322.748 4.551 30 20 DJED COc1cc(NN=Cc2sccc2Cl)ccc1Cl 788471981 MPAJCMCDYIZWQC-UHFFFAOYSA-N 301.198 4.510 30 20 DJED Cc1ncsc1/C=C\C(=O)c1ccc(OC(C)C)c(Cl)c1 789157397 KVHUELWNTAKBPN-ALCCZGGFSA-N 321.829 4.788 30 20 DJED Cc1ccc(Cl)c(OC(=O)C[C@H](CC#N)c2ccccc2)c1 792870623 RQTVVYBDRSHWAA-HNNXBMFYSA-N 313.784 4.641 30 20 DJED CCC(=NNc1cccc(Cl)n1)c1c(F)cccc1Cl 793160408 AFDMFDUMIYDXLH-UHFFFAOYSA-N 312.175 4.754 30 20 DJED N#C[C@H]1CC[C@@H](Nc2ccc(OC3CCCC3)c(Cl)c2)C1 799721582 MQENVZSVZSMYPR-QWHCGFSZSA-N 304.821 4.766 30 20 DJED O=C1/C(=C\c2ccc(Cl)cc2Cl)Cc2c(O)cccc21 810249247 RKNQQQHXOFHKCJ-POHAHGRESA-N 305.160 4.521 30 20 DJED CCC(=NNc1ccc(C(F)(F)F)cn1)c1ccc(C)cc1 915917594 HENXFUFIHXURHP-UHFFFAOYSA-N 307.319 4.635 30 20 DJED CC(=NNc1cccc(F)c1)c1cc(C)ccc1OC(F)F 920384610 ZBCXLWRMXAPTHK-UHFFFAOYSA-N 308.303 4.572 30 20 DJED CC(C)(C)[C@@H]1CN(c2ccc(Cl)c(C#N)n2)c2ccccc21 1163185480 RITYNFVBVPWUAV-CYBMUJFWSA-N 311.816 4.888 30 20 DJED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)C1CCC(F)(F)CC1 1308826743 XWGVVYJZTSNBHI-ACJLOTCBSA-N 318.411 4.739 30 20 DJED Cc1csc(NC(=O)N2CCC3(CCCCC3)CC2)c1C#N 1310701177 ONWURPZEOGQJJP-UHFFFAOYSA-N 317.458 4.506 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccc(SC(F)(F)F)cc1 1318294816 PRCYQSHHJHWVHU-UHFFFAOYSA-N 318.364 4.728 30 20 DJED CC(C)Cc1cccc([C@H](C)Nc2ccc(OCC#N)cc2)c1 1345426384 IKZMNAUTHQGUFM-INIZCTEOSA-N 308.425 4.961 30 20 DJED CC[C@@H]1CCCC[C@H]1C(=O)N(c1ccc(C#N)cc1)C1CCC1 1533352058 LXAADLJKLVKPNV-VQIMIIECSA-N 310.441 4.660 30 20 DJED Cc1cccc(COc2ccc([C@H](C)N[C@@H](C)CCC#N)cc2)c1 1559679328 ICASIGJCKUDXNZ-ROUUACIJSA-N 322.452 4.917 30 20 DJED C[C@H]1CC(C)(C)c2cccc(NC(=O)c3ccc(C#N)s3)c21 1584946353 GHHDEMPBIZGVRA-NSHDSACASA-N 310.422 4.657 30 20 DJED CC1(C)CC(Nc2ccc(F)cc2OCC#N)CC(C)(C)C1 1621237973 LXIWLMVAJISXRL-UHFFFAOYSA-N 304.409 4.745 30 20 DJED CCOc1ccc(C#N)cc1N[C@H](C)CCc1cccc(C)c1 1621238670 CXEPBFJUBGWYBT-MRXNPFEDSA-N 308.425 4.699 30 20 DJED CN(C(=O)Nc1ccc(CC#N)cc1)c1ccc2ccccc2c1 1622729234 VHXFTGCLRKYKOD-UHFFFAOYSA-N 315.376 4.574 30 20 DJED CCc1ccc(CN(Cc2ccc(F)c(C#N)c2)CC(C)C)cc1 1646366473 AKBMZMOBTRFOSA-UHFFFAOYSA-N 324.443 4.918 30 20 DJED C[C@H]1CN(c2c(Br)cccc2C#N)c2ccccc21 1655591889 XGTKLORBVAZAGK-NSHDSACASA-N 313.198 4.576 30 20 DJED Cc1ccccc1C1CC(N(Cc2ccc(C#N)s2)C2CC2)C1 1657454543 LNMNKTNGVZHZMB-UHFFFAOYSA-N 322.477 4.839 30 20 DJED CN(Cc1ccc(F)cc1C#N)C1CC(C)(C)CC(C)(C)C1 1659361363 RZOJAFCSKBBSFZ-UHFFFAOYSA-N 302.437 4.734 30 20 DJED C=C(Cl)CNC(=O)Nc1cc(-c2ccccc2)ccc1Cl 1669510138 RWZCLKVJMFVNQP-UHFFFAOYSA-N 321.207 4.881 30 20 DJED CC(C)[C@@H]1/C(=C/c2ccc(F)c(C(=O)O)c2)C(=O)c2ccccc21 1776308894 WEKRZSYMOPGPHR-FJJYYWMZSA-N 324.351 4.543 30 20 DJED CC(C)Sc1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 52505893 OECPVORTFKBIDH-AWEZNQCLSA-N 324.449 4.550 30 20 DJED CC(C)Sc1ccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 52505895 OECPVORTFKBIDH-CQSZACIVSA-N 324.449 4.550 30 20 DJED C/C=C(/C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 255049888 BSJQFFSTVWFNEZ-PQMHYQBVSA-N 306.365 4.564 30 20 DJED C[C@@H](Sc1ccc2c(c1)OCCCO2)c1ccc(C#N)cc1 303685985 KJTPVQCPVJHYNA-CYBMUJFWSA-N 311.406 4.573 30 20 DJED Cc1cc(F)cc(N=C(O)C2CCC(/N=C(/O)C3CC3)CC2)c1 330006656 FFXDYOBKEPWYCK-UHFFFAOYSA-N 318.392 4.647 30 20 DJED Cc1ccc(N=C(O)c2sc(C(C)(C)C)nc2C)c(C)c1O 330592702 RTCKNNPIEASZND-UHFFFAOYSA-N 318.442 4.708 30 20 DJED Cc1cc2cc(NC(=O)C[C@@H](CC#N)c3ccccc3)ccc2[nH]1 354386549 JINGFJOGPMYWPK-MRXNPFEDSA-N 317.392 4.502 30 20 DJED N#CCCCCSCc1c(F)ccc(Br)c1F 409862499 PXFMLMDTEAMODD-UHFFFAOYSA-N 320.202 4.654 30 20 DJED C=C(C)C(C)(C)C(=O)N1CC[C@@H](C(F)(F)F)c2ccccc21 425600317 BXQUYZIQHKAVLE-CYBMUJFWSA-N 311.347 4.672 30 20 DJED C=CCC[C@H](NC(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 435142901 YMYYXZGGHJTCQI-IBGZPJMESA-N 322.408 4.718 30 20 DJED C=C(C)CN(CC)C(=O)c1cc(-c2ccc(F)cc2)c(C)s1 445517617 FHDAQPXSVGDSLJ-UHFFFAOYSA-N 317.429 4.901 30 20 DJED Cc1cccc([C@H]2CCCN2c2ncc(C#N)cc2Cl)c1C 462855288 CDNPVLGGCWAWFW-QGZVFWFLSA-N 311.816 4.565 30 20 DJED C=CC[C@@H](CC)NC(=O)N1CCC(c2ccc(Cl)cc2)CC1 466401044 XJXIOJZRUBPMJZ-QGZVFWFLSA-N 320.864 4.584 30 20 DJED CCC(CC)CC(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 486589592 MHUOWEULSBVMKA-UHFFFAOYSA-N 316.489 4.524 30 20 DJED Cc1nc(N[C@@H](Cc2ccccc2)c2cccs2)ccc1C#N 488089113 MGVZRBWXGFTXEK-KRWDZBQOSA-N 319.433 4.719 30 20 DJED CC1(C)CCC(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 494893883 XSBGIYWZWUOKJN-RBUKOAKNSA-N 324.468 4.501 30 20 DJED N#Cc1ccc(C2=CCN(Cc3cc(Cl)cs3)CC2)cc1 494972635 GSVHDUQWYUJDMN-UHFFFAOYSA-N 314.841 4.562 30 20 DJED CC[C@@](C)(C#N)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 506746710 IOTPLFJWQIQEOA-KRWDZBQOSA-N 320.820 4.540 30 20 DJED C=C(C)[C@H](N[C@H](C)Cc1ccc(O)cc1)c1ccc(F)c(F)c1 512652301 LKIPLUJXLMAFKF-YJYMSZOUSA-N 317.379 4.508 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@@H]2Nc1ncc(C#N)cc1Cl 513635225 KVWXBGFGCILSIX-AWEZNQCLSA-N 315.804 4.634 30 20 DJED C=CCOc1ccccc1C(=O)Nc1cccc(Cl)c1Cl 514532263 AYPKLKGDELJRRS-UHFFFAOYSA-N 322.191 4.811 30 20 DJED Cc1cccc2nc(CS[C@H](C)c3ccc(C#N)cc3)cn12 541161596 VKTUMOIDMSDXPO-CQSZACIVSA-N 307.422 4.509 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@H]2CCC[C@H]2c2ccccc2)c1 542504944 KBDGFSOEKNHCDO-OALUTQOASA-N 304.393 4.509 30 20 DJED C=CCCO[C@H](C)c1nc(-c2ccc(SC)cc2Cl)no1 545802701 UIJHQDYBUYGZPA-SNVBAGLBSA-N 324.833 4.766 30 20 DJED CC(C)[C@@H](NCc1cccc(C#N)c1F)c1ccccc1Cl 553007752 RIPIJGYRSJZYQC-GOSISDBHSA-N 316.807 4.838 30 20 DJED N#CC[C@H]1CCCN(c2ncc(-c3ccc(Cl)cc3)s2)C1 596325177 HRSJFZXGRUIWDE-GFCCVEGCSA-N 317.845 4.594 30 20 DJED C=CCCSCCNC(=O)Nc1c(C)cccc1C(C)C 596632334 URQNZZWBEBTXJR-UHFFFAOYSA-N 306.475 4.549 30 20 DJED C[C@H](CCC#N)CN[C@H](c1ccc(F)cc1)c1cccs1 602501270 DYCGYPKTAOBIDD-CXAGYDPISA-N 302.418 4.506 30 20 DJED C=CCN(C(=O)CCc1cc(Cl)cs1)c1ccccc1 605616839 BPXKJYNHWXASCI-UHFFFAOYSA-N 305.830 4.553 30 20 DJED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1Cl 618801693 BROILKUZLZREQQ-ADLMAVQZSA-N 314.791 4.689 30 20 DJED C=CCCC[C@H](C)NC(=O)[C@@H](C)c1ccccc1C(F)(F)F 678881778 RRQNPKSWMJXMMI-STQMWFEESA-N 313.363 4.670 30 20 DJED Cc1ccsc1C(=O)/C=C\c1cccc(OC(F)(F)F)c1 733749731 VZSJWHGHXINPIL-WAYWQWQTSA-N 312.312 4.851 30 20 DJED CCCCCCCCCC(=O)N1CCC(C(F)(F)F)CC1 742857951 MRFJEQUPCFRJAP-UHFFFAOYSA-N 307.400 4.928 30 20 DJED CCOC(=O)c1ccc(/C=C/C(=O)c2ccc3ccccc3c2)o1 748440663 LXVGRFLENRSGAK-PKNBQFBNSA-N 320.344 4.506 30 20 DJED N#Cc1ccc(C=NN(Cc2ccccc2)c2ccccc2)s1 748778662 OJBRGABKGGAKFO-UHFFFAOYSA-N 317.417 4.660 30 20 DJED CCOc1ccccc1C=NOCc1ccc(C(F)(F)F)cc1 749117588 WENATMYJVFQPDW-UHFFFAOYSA-N 323.314 4.655 30 20 DJED CCCCn1nc(C)c(C=NNc2ccc(F)cc2C)c1Cl 750939146 VXZDJFCUGQXASD-UHFFFAOYSA-N 322.815 4.539 30 20 DJED CC(C)(C)c1cnc(SCc2ccc(OCC#N)cc2)s1 759719789 NBCVYIUWCUWDPP-UHFFFAOYSA-N 318.467 4.635 30 20 DJED Cc1cc(C(=O)OCCCCC(C)(C)C#N)c(C)n1C(C)C 768370635 WVYMSYOCYHPVJA-UHFFFAOYSA-N 304.434 4.563 30 20 DJED CC(=NNc1ncnc2ccsc12)c1cc2ccccc2s1 780236355 QJPYVRMVXHBBHO-UHFFFAOYSA-N 324.434 4.742 30 20 DJED CCc1ccc(C(=O)/C=C/C(C)=C/c2cccc([N+](=O)[O-])c2)o1 787171241 JVVXOXAXOBLSFR-PTSVWTKZSA-N 311.337 4.593 30 20 DJED CC(=NNc1ccc(Cl)cc1)c1ccc(C#N)cc1Cl 788409650 WAHSMLWQZSQDLK-UHFFFAOYSA-N 304.180 4.701 30 20 DJED Cc1cc(C(=O)/C=C/c2cccc(-c3ccccc3C)c2)n(C)n1 789160289 VSGQAGZRXPTFEK-VAWYXSNFSA-N 316.404 4.600 30 20 DJED CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCC2CCCCC2)s1 797567192 DONFNGLHDQRLSJ-AWEZNQCLSA-N 318.486 4.977 30 20 DJED C#CCCCS[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 842177819 LASZXQVDZUJATR-AWEZNQCLSA-N 300.427 4.561 30 20 DJED O=C1/C(=C\c2ccccc2C(F)(F)F)COc2c(F)cccc21 921265968 GZCBKMFHJOKQBH-FLIBITNWSA-N 322.257 4.503 30 20 DJED C[C@H](CCc1ccsc1)N[C@@H]1CCCc2cc(C#N)ccc21 1182433975 MIWKGBNYBKHEFE-AUUYWEPGSA-N 310.466 4.608 30 20 DJED CSc1ccccc1CSc1nc(C)cc(C)c1C#N 1188086247 ZFJSIOOFUXDTRC-UHFFFAOYSA-N 300.452 4.584 30 20 DJED N#C[C@@H]1CC[C@@H](Sc2ncc(-c3ccc(Cl)cc3)[nH]2)C1 1190251249 WRTLXCVSULKSFQ-ZWNOBZJWSA-N 303.818 4.514 30 20 DJED C[C@H](N[C@@H]1CCC[C@H]1Cc1ccccc1)c1cccc(C#N)c1 1193499129 YHOFXFRIPJZGGU-ORYQWCPZSA-N 304.437 4.620 30 20 DJED C=C(CNC(=O)N1CCCCC[C@@H]1CC(C)C)c1ccccc1 1251694412 IQCZLQMQQGEXGT-LJQANCHMSA-N 314.473 4.700 30 20 DJED N#Cc1cccc(Sc2cc(-c3cccc(Cl)c3)ncn2)c1 1458237957 OJWAMCHCHGMXNG-UHFFFAOYSA-N 323.808 4.820 30 20 DJED Cc1cc(C#N)cc(NCc2cnc(-c3ccc(C)o3)s2)c1 1461583813 RNGMWRQUVDOMFM-UHFFFAOYSA-N 309.394 4.504 30 20 DJED Cc1ccc2c(C(=O)O[C@H](C)c3ccc(C#N)cc3)csc2c1 1515137906 XDFREQHDJCEIRO-CYBMUJFWSA-N 321.401 4.999 30 20 DJED CC1=C(C(=O)Nc2sc3c(c2C#N)CCCCCC3)CCC1 1526034113 MLQBSOMTDHVQBY-UHFFFAOYSA-N 314.454 4.718 30 20 DJED CC(C)CC(CC(C)C)C(=O)Nc1cc(C#N)c2ccccc2n1 1539551743 WTBUWIAABVJMHU-UHFFFAOYSA-N 323.440 4.753 30 20 DJED C=C(CNCc1ccc(F)cc1C(F)(F)F)c1ccccc1 1560315084 UJVNFJYCAFYTKF-UHFFFAOYSA-N 309.306 4.648 30 20 DJED N#Cc1csc(CNC[C@@H]2CCCC[C@@H]2c2ccccc2)c1 1560473718 QVVXJIORALBCIY-PKOBYXMFSA-N 310.466 4.683 30 20 DJED CC[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccc(Cl)cc1 1583154684 MHLHAZHUCCGUHY-LBPRGKRZSA-N 314.772 4.621 30 20 DJED CCC(C#N)(CC)C(=O)Nc1nc(C2CCCCC2)c(C)s1 1583203505 GEDQNTXVLDIHHQ-UHFFFAOYSA-N 319.474 4.768 30 20 DJED C[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)c1cccc(F)c1F 1642468302 CJUDILSGYTUPHD-LLVKDONJSA-N 315.367 4.702 30 20 DJED CC(C)(C)c1ccc(NC(=O)CSc2cccc(C#N)c2)cc1 1643742503 GSVCYKPTVGTCHB-UHFFFAOYSA-N 324.449 4.587 30 20 DJED N#Cc1cc(F)ccc1CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 1645401780 VVUBKTRTKXTASV-ZHPFXUNLSA-N 320.411 4.608 30 20 DJED N#Cc1ccc(NCC2(c3ccccc3)CCCCCC2)nc1 1650721826 ZXEROXRZWRQMOP-UHFFFAOYSA-N 305.425 4.657 30 20 DJED Cc1c(Cl)cnc(N[C@@H](C)c2ccc(Cl)c(F)c2)c1C#N 1651654793 PEEMDGUKSJQHKD-VIFPVBQESA-N 324.186 4.881 30 20 DJED Cc1cc(N[C@H]2c3ccccc3CC[C@H]2C(C)C)ncc1C#N 1651726329 OMRHIUOLDSIHEI-FXAWDEMLSA-N 305.425 4.633 30 20 DJED Cc1cc(CN(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)ccc1C#N 1652053594 BKHSTLBZRNGXDB-FOIQADDNSA-N 320.436 4.748 30 20 DJED N#Cc1c(F)cccc1N1CC=C(c2ccc(Cl)cc2)CC1 1655224667 YCRYPGLHFRESMZ-UHFFFAOYSA-N 312.775 4.644 30 20 DJED O=C(O)c1ccccc1NN=Cc1ccc(-c2cccs2)cc1 1776031098 METURMBETMUBKA-UHFFFAOYSA-N 322.389 4.559 30 20 DJED O=C(O)c1ccccc1NN=C1CCCCC[C@H]1c1ccccc1 1776031401 FHKOVKOONHJFKV-INIZCTEOSA-N 322.408 4.901 30 20 DJED C[C@H](NCc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 14932986 BPJQSXVCPBPTDH-NSHDSACASA-N 305.208 4.716 30 20 DJED C#Cc1cccc(NC(=O)c2cc(C(C)C)nc3ccccc23)c1 23010131 KPCFFGISURVHOH-UHFFFAOYSA-N 314.388 4.592 30 20 DJED C=C(C)CN(CC)C(=S)Nc1ccc(SC(F)F)cc1 57740761 RJCXIPWJJVJVNU-UHFFFAOYSA-N 316.442 4.596 30 20 DJED C[C@@H](SCc1cc(-c2ccco2)on1)c1ccc(C#N)cc1 118444303 MSFVVUKTSJILOH-GFCCVEGCSA-N 310.378 4.801 30 20 DJED CCN(Cc1ccc2ncccc2c1)[C@H](C)c1ccc(C#N)cc1 119861792 SGKMWVQTNSUMRH-MRXNPFEDSA-N 315.420 4.690 30 20 DJED C#CCCCCC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 120099220 NGKGUUVVUHIHEH-UHFFFAOYSA-N 313.347 4.764 30 20 DJED N#Cc1ccc(Cl)cc1OCc1cccc(Br)c1 128997496 YFVGKKXTQOQBHQ-UHFFFAOYSA-N 322.589 4.553 30 20 DJED C=CC1CCN(C(=O)CCCCCO[C@H]2CCC[C@H](C)C2)CC1 163620110 FZVUCAGCDLHXTO-HKUYNNGSSA-N 321.505 4.567 30 20 DJED Cc1ccc(/C=C\C(=O)c2cc3ccccc3o2)cc1[N+](=O)[O-] 211793022 ZRGPZFWORRPBIU-HJWRWDBZSA-N 307.305 4.546 30 20 DJED C[C@H](c1cccc(Cl)c1)[S@@](=O)CCCCC(C)(C)C#N 277988924 UCRRWIXMNCXIEQ-XCLFUZPHSA-N 311.878 4.870 30 20 DJED C[C@H](C/C(O)=N/[C@@H]1CCC(O)=NC12CCC2)C1CCCCC1 328700673 MVZCLMCJBBPWFX-UKRRQHHQSA-N 306.450 4.591 30 20 DJED OC1=NCc2cccc(N=C(O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)c21 329024483 UWGLOABTPYRIOT-AEGPPILISA-N 312.413 4.699 30 20 DJED Cc1coc(C)c1/C(O)=N/[C@@H](C)c1nc(C(C)(C)C)cs1 330484192 WRQBEAKFPPPMEK-JTQLQIEISA-N 306.431 4.716 30 20 DJED C[C@@H]1SCCN(CCCCC(C)(C)C#N)[C@@H]1c1ccccc1 444651397 GIOFJZFCPATJID-WMZOPIPTSA-N 316.514 4.885 30 20 DJED C=C[C@@](C)(CC)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 467737753 NPZMJIRHASWTDJ-HNNXBMFYSA-N 300.229 4.554 30 20 DJED C[C@@H](CCNc1ccc(C#N)cn1)c1cccc(C(F)(F)F)c1 470872607 TWCNMAXNOXOGQP-LBPRGKRZSA-N 319.330 4.578 30 20 DJED CC[C@H](NCc1c(C)c2ccccc2n1C)c1ccc(C#N)cc1 479459477 WSNVZQTXCLIYTN-IBGZPJMESA-N 317.436 4.599 30 20 DJED CN(Cc1ccccc1C(C)(C)C#N)[C@@H]1CCc2ccccc21 487423983 AUCYSEFZFKVZCI-HXUWFJFHSA-N 304.437 4.607 30 20 DJED C=CCC[C@H](C(=O)N[C@H](C)c1ccc(OC)cc1)c1ccccc1 487669658 VXZLSJHWBAXZTQ-UZLBHIALSA-N 323.436 4.622 30 20 DJED C=C[C@H]1CCCCN1C(=O)c1cc(C2CC2)nc2ccc(C)cc12 488880285 NIKLWAWJMCXJSS-INIZCTEOSA-N 320.436 4.601 30 20 DJED C[C@H](CC(=O)Nc1sc2c(c1C#N)CCC2)C1CCCCC1 508853507 RINQYKRGBKJQEF-GFCCVEGCSA-N 316.470 4.653 30 20 DJED C=CCOc1cccc(NC(=O)CCc2cc(Cl)cs2)c1 522953247 ZOUCYTAMDKPYTL-UHFFFAOYSA-N 321.829 4.538 30 20 DJED C[C@H](NCc1ccc(C(C)(C)C)cc1)c1ccc(C#N)c(F)c1 540708085 RDVGTHQXBOROND-AWEZNQCLSA-N 310.416 4.846 30 20 DJED C[C@@H](Nc1ccc(Cl)cc1OC(F)F)c1cccc(C#N)c1 546575068 GJTZONRVXJZQTP-SNVBAGLBSA-N 322.742 4.986 30 20 DJED CC(C)[C@@H](CSc1ccccc1)NCC(C)(C)CCC#N 558244739 BZXPUQRCROCYAX-QGZVFWFLSA-N 304.503 4.723 30 20 DJED C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1OCc1ccccc1 559146788 FHGFFUFBCBZHPE-NEWSRXKRSA-N 320.436 4.608 30 20 DJED C=CCC1(C(=O)NCCCCc2ccc(Cl)s2)CCC1 560130960 DRPVKEUVBZYAQG-UHFFFAOYSA-N 311.878 4.587 30 20 DJED N#Cc1ccc2c(c1)[C@H](NCc1ccc3sccc3c1)CC2 575031507 NGRMDCAJPUDPIS-GOSISDBHSA-N 304.418 4.550 30 20 DJED C=C(CNCc1ccc(OC(F)F)c(Cl)c1)c1ccccc1 596656856 XMFLVVBUSRSXJF-UHFFFAOYSA-N 323.770 4.744 30 20 DJED C=CC[C@H](C)NCc1cc(Cl)c(OCCC)c(OCC)c1 604892984 VXHVSPWFKWBMHD-ZDUSSCGKSA-N 311.853 4.582 30 20 DJED CC[C@H](CC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccc(C)cc1 609967314 FLJVTTNJBHMBTN-FUHWJXTLSA-N 320.436 4.628 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(-c2ccccc2)o1 618742116 JVJGVEICYBDRQP-HXUWFJFHSA-N 314.388 4.595 30 20 DJED N#CC[C@H](CC(=O)N1CCC(C2CCCC2)CC1)c1ccccc1 619437867 XRGZBJHAECEJCA-HXUWFJFHSA-N 324.468 4.503 30 20 DJED Cc1cccc2cc(C(=O)[C@@H](C#N)c3nc(C4CC4)cs3)oc12 647377474 MKQVBLZDDLWBSM-CYBMUJFWSA-N 322.389 4.565 30 20 DJED CCCCCCC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 731196057 VXGSUDZJTVJYMM-CYBMUJFWSA-N 313.228 4.645 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1cccc(OCc2ccc(C)cc2)c1 735173817 OYKURFKKTNOEAD-MRXNPFEDSA-N 324.424 4.660 30 20 DJED CCOc1ccc(Cl)cc1C(C)=NNc1ncccc1Cl 735972049 JNSZLMCXMPANOB-UHFFFAOYSA-N 324.211 4.623 30 20 DJED C=C(Cl)CNC(=O)Nc1cccc(Sc2ccccc2)c1 736978038 YRXGECRYRABMNT-UHFFFAOYSA-N 318.829 4.712 30 20 DJED C[C@H](N[C@@H](C)c1ccc2ccccc2c1O)c1cccc(C#N)c1 756629213 ZWDPJUNYRKDTPE-GJZGRUSLSA-N 316.404 4.829 30 20 DJED Cc1ccc(OC(F)F)c(/C=C\C(=O)c2ccc(F)cc2F)c1 756789549 YMMSKYUXWARREZ-UTCJRWHESA-N 324.273 4.771 30 20 DJED CCN(C)c1ccc(C(=O)/C=C/c2cnc(C(C)C)s2)cc1 758434421 RNJDWKQSUBVQHM-ZHACJKMWSA-N 314.454 4.619 30 20 DJED CO[C@H](C/N=C/c1cc(Cl)ccc1O)c1ccccc1Cl 763097002 MEKKLNRDDBVTEU-LEKRSAHOSA-N 324.207 4.506 30 20 DJED C#CC[C@@H](N[C@H](C)c1ccc(OC(F)F)cc1)c1ccccc1 773104519 DPQHQJFPEGNAFL-RDTXWAMCSA-N 315.363 4.703 30 20 DJED C#CCCCCC(=O)Nc1ccccc1N[C@H](C)c1ccccc1 773500055 YGFQZAMYLVRCGJ-QGZVFWFLSA-N 320.436 4.992 30 20 DJED CCc1cnccc1C(=O)/C=C/c1ccc(N2CCCCC2)cc1 776192361 PJKDLVLKWQGXOM-DHZHZOJOSA-N 320.436 4.530 30 20 DJED C=C[C@](C)(CC)C(=O)O[C@@H](C)c1nc2ccccc2n1C(F)F 785756770 CTVFNMNYEWVBCQ-APPDUMDISA-N 322.355 4.638 30 20 DJED CCCCCCCCC[S@@](=O)Cc1cn2cccc(C)c2n1 790137982 ATVKYUJXHORPQO-JOCHJYFZSA-N 320.502 4.642 30 20 DJED CC(C)(C)c1cnc([C@H](C#N)C(=O)CCC2CCCC2)s1 797570579 IBNCFMLEELPCEA-CYBMUJFWSA-N 304.459 4.587 30 20 DJED C[C@@H](Nc1nc(Cl)c(C#N)s1)c1cccc(C2CC2)c1 828279838 CMIFNRONQAITGZ-SECBINFHSA-N 303.818 4.719 30 20 DJED CCC[C@@H]1CCC[C@@H]1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 835200403 JHKFUARUZLDAQF-HZSPNIEDSA-N 304.459 4.659 30 20 DJED CCC[C@@H]1CCC[C@H]1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 835200405 JHKFUARUZLDAQF-MCIONIFRSA-N 304.459 4.659 30 20 DJED CC1=C(C)C[C@H](C(=O)[C@H](C#N)c2ccc3ccccc3n2)CC1 842682281 TZKVXGCJGRFKFQ-IAGOWNOFSA-N 304.393 4.548 30 20 DJED CC(C)c1ccc2cc(C(=O)Nc3ccc(CC#N)cc3)[nH]c2c1 914464467 BFPKEJNRKYEKAI-UHFFFAOYSA-N 317.392 4.610 30 20 DJED O=C(/C=C/c1ccc(F)cc1F)c1ccc(Br)cc1 916134265 CXXGVCMKXCCBBO-XBXARRHUSA-N 323.136 4.623 30 20 DJED C=CCN(C(=O)N[C@@H](c1ccccc1)C(CC)CC)C(C)C 918069446 XEKANJCEAUEHCY-GOSISDBHSA-N 302.462 4.770 30 20 DJED CCC/C(C)=C/C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 920325139 ZNJPMYWJKOEUAG-OFFHKIPUSA-N 318.829 4.872 30 20 DJED Fc1cc(F)cc(NN=Cc2c(Cl)cccc2Cl)c1 920376701 OHILFCZGGGRCFD-UHFFFAOYSA-N 301.123 4.718 30 20 DJED C[C@@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1CC1 920434971 GVWFDVKIRQGRFM-MGPUTAFESA-N 318.420 4.717 30 20 DJED CC[C@@H](OC(=O)c1cc(C#N)oc1C)c1c(F)cccc1Cl 1127133393 WZDRZQUSOHFXFA-CQSZACIVSA-N 321.735 4.560 30 20 DJED COc1cc(CN(Cc2cccc(C)c2)CC(C)C)ccc1C#N 1180154916 YWNMBKQWJNFYST-UHFFFAOYSA-N 322.452 4.534 30 20 DJED CC(C)(CNc1ccc(C#N)cn1)c1c(Cl)cccc1Cl 1306961266 XEODVQMYYVVTML-UHFFFAOYSA-N 320.223 4.650 30 20 DJED CC(C)c1ccc(CCc2nnc(-c3ccc(C#N)cc3)o2)cc1 1322255355 BONXXHXDJDPRNH-UHFFFAOYSA-N 317.392 4.517 30 20 DJED CCC[C@H]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1OC(C)C 1351539714 DYHBFDNWZCIAQA-JKSUJKDBSA-N 314.429 4.500 30 20 DJED CC(C)(CC#N)CNC(=O)C1(C2CCCCC2)CCCCC1 1436633097 BECPALKKPLWRHP-UHFFFAOYSA-N 304.478 4.573 30 20 DJED CCCn1c(S[C@@H](C)CCC#N)nc2cc(Cl)ccc21 1458823296 GOBAJXHMKIJSEL-NSHDSACASA-N 307.850 4.884 30 20 DJED N#CC1(CCN2CCN(CC3CC3)c3ccccc32)CCCCC1 1459741756 MYNLNGVDZUJSAR-UHFFFAOYSA-N 323.484 4.587 30 20 DJED CSc1cccc(NC(=O)Nc2cc(C)cc(C#N)c2)c1C 1466839553 LEOVKYBIOXPBHF-UHFFFAOYSA-N 311.410 4.541 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)c1cccc(C(F)F)c1 1528322804 QWBPXRHJAOBXKA-UHFFFAOYSA-N 322.314 4.901 30 20 DJED Cc1ccc(N(CCC#N)C(=O)CCCC2CCCCC2)cc1 1626248730 HDFXFQQXGBQJLM-UHFFFAOYSA-N 312.457 4.992 30 20 DJED Cc1ccsc1CNc1c(C#N)cnc2c(Cl)cccc12 1639355713 ABTHMHXARLEXJH-UHFFFAOYSA-N 313.813 4.742 30 20 DJED N#Cc1ccc(SCc2ncc(-c3ccc(F)cc3)o2)cc1 1640866151 LKOKIDGDYLUFHV-UHFFFAOYSA-N 310.353 4.645 30 20 DJED C[C@@H](NCCc1ccc(C#N)cc1)c1cccc(Cl)c1Cl 1642526631 OQLOYCDJFLCOQF-GFCCVEGCSA-N 319.235 4.758 30 20 DJED C[C@H](Nc1ncccc1C#N)[C@H](C)c1ccccc1C(F)(F)F 1651654667 LIIBWQSMZKFVJV-RYUDHWBXSA-N 319.330 4.576 30 20 DJED CCCCCCCC[C@H](C)C(=O)Nc1ccc(C(=O)O)cc1 1776786120 NLSDKPVASYADRR-AWEZNQCLSA-N 305.418 4.710 30 20 DJED COc1ccc([C@@H]2CCCCCN2Cc2ccc(C#N)cc2)cc1 15105551 QTNCJPVMRNAIFR-NRFANRHFSA-N 320.436 4.684 30 20 DJED N#CCOc1ccc(NCc2c(Cl)cccc2Cl)cc1 20549573 SVAPZNHMWLEQQH-UHFFFAOYSA-N 307.180 4.508 30 20 DJED Clc1cccc(/N=C2\NN=C(C3CCCCC3)CS2)c1 22690363 WREACAGFUDHPQF-UHFFFAOYSA-N 307.850 4.600 30 20 DJED C[C@@H](C(=O)Nc1cc(C(C)(C)C)sc1C#N)c1cccs1 91208381 CLPPQFYKLVASLN-SNVBAGLBSA-N 318.467 4.721 30 20 DJED CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1cc(C)ccc1OC 93401124 LDFFELALMPVTKI-KXBFYZLASA-N 308.425 4.677 30 20 DJED CCSc1cc(Cl)ccc1C(=O)Nc1cccc(C#N)c1 157000155 KMSNZKPOTNIJEX-UHFFFAOYSA-N 316.813 4.576 30 20 DJED C#Cc1cccc(N(C(=O)c2cccc(C(F)F)c2)C(C)C)c1 171561053 XGRKEOGSKYKGEW-UHFFFAOYSA-N 313.347 4.661 30 20 DJED CC(C)c1ccccc1NC(=O)C[C@@H](C)Nc1cccc(C#N)c1 182944201 AXNRTNIXFMQPAD-OAHLLOKOSA-N 321.424 4.511 30 20 DJED Cc1cc(NCC(C)(C)CCC#N)cc(C)c1Br 232024401 KOOIGDVKKDFDFS-UHFFFAOYSA-N 309.251 4.808 30 20 DJED Cc1ncc(N=C(O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c(C2CC2)n1 328753821 DLYJCBWGXJAPII-FVQBIDKESA-N 313.445 4.857 30 20 DJED N#Cc1ccc(F)c(CN[C@@H](CC2CCC2)c2ccccc2)c1 344293169 HKDSXAUSAQVLGL-FQEVSTJZSA-N 308.400 4.718 30 20 DJED CCCCCCCCCC(=O)N1CCC[C@@H]1c1cc(C)on1 363330384 COBNHUPOQYVJCI-QGZVFWFLSA-N 306.450 4.787 30 20 DJED CC(C)(C#N)CCSCc1ccc(-c2ncco2)cc1F 419469417 BDDNQZOXASYWMA-UHFFFAOYSA-N 304.390 4.654 30 20 DJED N#CC1(CCCSCCc2ccc(Cl)cc2)CCOCC1 419604367 RAAKBGTULXYIOP-UHFFFAOYSA-N 323.889 4.716 30 20 DJED C=CCC(C)(C)CNC(=O)N(C)[C@H](C)c1cccc(Cl)c1 432558796 BIQDZIUSPQZHSV-CYBMUJFWSA-N 308.853 4.645 30 20 DJED C[C@H](CNCc1ccc(C#N)s1)c1ccc(C(F)(F)F)cc1 442989860 HHRCBZQOBFEOMZ-LLVKDONJSA-N 324.371 4.532 30 20 DJED CC[C@H](Cc1ccc(Cl)cc1Cl)N[C@H]1CC[C@H](C#N)C1 471611826 RKHIBOGBCYEGGW-GLQYFDAESA-N 311.256 4.596 30 20 DJED C=CCOc1cccc(CN[C@H]2CCCc3ccc(F)cc32)c1 475508848 APMZVGBIJMHEID-FQEVSTJZSA-N 311.400 4.558 30 20 DJED C=CCCC1(C(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)CC1 476238947 QLRDEBUCQNEVPL-INIZCTEOSA-N 320.436 4.672 30 20 DJED C=CCC1(C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)CCC1 478741356 VETKLWNJCDTYMQ-UHFFFAOYSA-N 323.436 4.553 30 20 DJED Cc1ccccc1[C@@H](NCc1ccc(Cl)cc1C#N)C1CC1 480878629 MTIGWLGPDANHFL-IBGZPJMESA-N 310.828 4.761 30 20 DJED C[C@@H](c1ccccc1F)N1CC=C(c2ccc(C#N)cc2)CC1 502531604 QFOZPHJHAMLJRT-HNNXBMFYSA-N 306.384 4.548 30 20 DJED CC(C)c1nc2cc(NCc3ccc(C#N)cc3F)ccc2o1 532989486 GRVYHGPANYEHGI-UHFFFAOYSA-N 309.344 4.574 30 20 DJED C[C@H]1C[C@@H]1c1ccc(CN(Cc2ccc(CC#N)cc2)C2CC2)o1 542210456 SIXMORGJTPMURI-YWZLYKJASA-N 320.436 4.634 30 20 DJED CC(C)C[C@@H](NCc1ccc(F)cc1C#N)c1cccs1 543485982 PMZBQNOHZQLKBD-MRXNPFEDSA-N 302.418 4.636 30 20 DJED C=C(C)[C@@H](NCc1ccnc2ccccc12)c1ccc(F)c(F)c1 547820680 VETOJEDHSDJYBE-HXUWFJFHSA-N 324.374 4.920 30 20 DJED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(Oc2ccccc2)cc1 549535957 MUVUCOLQOPJPNF-BQFCYCMXSA-N 306.409 4.822 30 20 DJED C=C[C@H](CC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1)c1ccccc1 557736131 IUGVHVFHOJUOFR-UEXGIBASSA-N 319.448 4.956 30 20 DJED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(F)cc1Cl 581778797 ZSKGWRPRDZVJEX-LBPRGKRZSA-N 314.791 4.691 30 20 DJED N#CCC1(CN[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 585765149 SWFKRXNDGSDOJV-CVEARBPZSA-N 322.374 4.625 30 20 DJED CSc1c(F)cc(N[C@H](C)c2cccc(C#N)c2)cc1F 600850091 UDWANDQLFXHQPN-SNVBAGLBSA-N 304.365 4.731 30 20 DJED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCCC2 618803299 HXBDLVMSRTVSAF-IVZQSRNASA-N 316.448 4.775 30 20 DJED Cc1cccc2c1C/C(=C/c1ccc(Br)s1)C2=O 729150352 JRAQYUIBYIKQGJ-YFHOEESVSA-N 319.223 4.641 30 20 DJED Cc1ccccc1C(=NNc1ccc(C(F)(F)F)cn1)C1CC1 731923260 BOIVQKVKZNOWLO-UHFFFAOYSA-N 319.330 4.635 30 20 DJED C#CCN(C(=O)c1ccc(SC(C)C)cc1)C1CCCCC1 743689842 FHVRUEMJFFWLDT-UHFFFAOYSA-N 315.482 4.595 30 20 DJED CC(C)Oc1cccc(/C=C\C(=O)c2cc(F)ccc2F)c1 757475844 TZLVEKGQONHNGU-TWGQIWQCSA-N 302.320 4.648 30 20 DJED C=CC[C@H](N[C@H](CC)c1ccc(N(C)C)cc1)c1ccncc1 766018104 GAAJOXWMARLHSN-UXHICEINSA-N 309.457 4.506 30 20 DJED C=CC[C@H](N[C@@H](C)c1ccc(OC)c(Cl)c1)c1ccncc1 766020617 QQFNGKYRGYJCBV-GUYCJALGSA-N 316.832 4.712 30 20 DJED CCCCCCCCC(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 766594507 JKSXXGFYQBXYPY-HNNXBMFYSA-N 313.441 4.844 30 20 DJED C[C@@H](NCCC(C)(C)c1ccccc1)c1ccc(OCC#N)cc1 776154870 DLZGVYCOPHNVBX-QGZVFWFLSA-N 322.452 4.607 30 20 DJED COc1ccc(C(=O)/C=C/c2cc(F)cc(Cl)c2)c(F)c1 776722907 YVKREDGACNKTSD-GORDUTHDSA-N 308.711 4.523 30 20 DJED C#CCCCCCC(=O)Nc1cc(Br)c(C)cc1C 777010820 GHKOUBALSTZTRI-UHFFFAOYSA-N 322.246 4.588 30 20 DJED C[C@@H](C#N)Oc1ccccc1N[C@H]1CCCCc2ccccc21 779713792 ZJXGLEHQPKVZFJ-YJBOKZPZSA-N 306.409 4.857 30 20 DJED CC(=NNc1cccc(Cl)n1)c1cccc(-c2ccncc2)c1 793176094 YUUYIJKEUJQMIV-UHFFFAOYSA-N 322.799 4.633 30 20 DJED CCCCCCCC(=O)Nc1ccc(-c2nncs2)cc1 798241061 QTWLRFLCUWKXDC-UHFFFAOYSA-N 303.431 4.504 30 20 DJED CC(=O)Nc1cccc(C(=O)/C=C/c2csc3ccccc23)c1 810197298 UPWLIXWRMLSPGO-MDZDMXLPSA-N 321.401 4.756 30 20 DJED CC(=NNc1cccc(F)c1)c1nc(-c2ccccc2)cs1 814815453 YIWZZEOTNNORBZ-UHFFFAOYSA-N 311.385 4.785 30 20 DJED CCCCCCCC(=O)N(Cc1ccc(OC)cc1)C1CC1 825655283 NIWPOGDWFZDDFS-UHFFFAOYSA-N 303.446 4.547 30 20 DJED CCOc1ccc(N(C)Cc2ccccc2C(C)(C)C#N)cc1 864012662 WLWGXWFOALPFPO-UHFFFAOYSA-N 308.425 4.523 30 20 DJED CC(C)(C)c1ccc(C=NNCc2cccc3cccnc23)cc1 915959433 LZKVFGJFVMVDOL-UHFFFAOYSA-N 317.436 4.656 30 20 DJED O=C(/C=C\c1csc([N+](=O)[O-])c1)c1cccc2ccccc12 917143120 CAAHKHYKCDVTBO-HJWRWDBZSA-N 309.346 4.706 30 20 DJED Fc1ccc(C=NOCc2c(Cl)ccc3cccnc23)cc1 917394621 JOVHTBNSJAAPIB-UHFFFAOYSA-N 314.747 4.578 30 20 DJED COc1ccc(O)c(/C=N/[C@H](C)c2ccccc2C(F)(F)F)c1 920178828 XLVFAKQXZOHUSG-OHBSIKEHSA-N 323.314 4.600 30 20 DJED Cc1cc(Cl)c(NC(=O)c2ccc(Cl)c(C#N)c2)cc1C 1129114287 SOGFNTNYNUXLKB-UHFFFAOYSA-N 319.191 4.734 30 20 DJED CC(C)C[C@@H]1CCC[C@@H](NCc2ccc(C#N)c(Cl)c2)C1 1178561156 BTPSWUUNYJMNCH-WMLDXEAASA-N 304.865 4.906 30 20 DJED COc1ccc(C#N)cc1CN(CC(C)(C)C)c1ccccc1 1307698228 BJLWLBAOIKWDTB-UHFFFAOYSA-N 308.425 4.620 30 20 DJED C=CCC[C@@H](NCc1ocnc1C)c1ccc(C(F)(F)F)cc1 1338250170 LKONFQIOHSKLGX-OAHLLOKOSA-N 324.346 4.799 30 20 DJED CCC(CC)[C@H](C)C(=O)N(CC(C)C)c1ccc(C#N)cc1 1358198230 DFOWNSDLUFBNRP-HNNXBMFYSA-N 300.446 4.620 30 20 DJED CCC[C@H](CC(C)C)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1436968718 NJMZXLFTNVLZNX-MAUKXSAKSA-N 300.446 4.540 30 20 DJED CCN(C[C@H]1CCc2ccccc21)[C@@H](C)c1ccc(C#N)cc1 1461957561 WVGYBRHOPJQPNJ-OXJNMPFZSA-N 304.437 4.671 30 20 DJED CC1(NC(=O)Nc2scc(C(C)(C)C)c2C#N)CCCCC1 1476646406 KXKCEYZGBFTSDX-UHFFFAOYSA-N 319.474 4.762 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1ccc(C2CCCC2)cc1 1515541432 OSCCQVOKXQLXNF-UHFFFAOYSA-N 304.393 4.777 30 20 DJED C=C(CNC(=O)c1cc2cc(C)ccc2s1)c1ccccc1 1527981946 XBXPCJDTAWMBGN-UHFFFAOYSA-N 307.418 4.653 30 20 DJED Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2csc(C#N)c2)cc1 1530622185 WJGJKWMEFPYOQL-KDOFPFPSSA-N 324.449 4.542 30 20 DJED CCCC[C@@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C(C)C 1535571835 RVTKDZPCRAIDML-HXUWFJFHSA-N 324.468 4.636 30 20 DJED CCC[C@@H](CC)C(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 1537889583 GYYGWEMIQORRFH-ZCYBBYNQSA-N 316.489 4.524 30 20 DJED Cc1ccc2oc(CNc3nc(C(C)(C)C)ccc3C#N)cc2c1 1559237868 INSTVAUALWNLBV-UHFFFAOYSA-N 319.408 4.918 30 20 DJED C[C@H](NCC1(CC#N)CC1)c1ccccc1Oc1ccccc1 1616874167 KWEXXBCXXXMEJB-INIZCTEOSA-N 306.409 4.823 30 20 DJED Cc1ccccc1[C@H](Nc1cncc(C#N)n1)C1CCC(C)CC1 1640112250 NRZJAHRUYISRBF-QJXPYNDKSA-N 320.440 4.636 30 20 DJED Cc1ccc(-c2cnc(COc3cc(Cl)ccc3C#N)o2)cc1 1641003497 PORBPZKONGVPOY-UHFFFAOYSA-N 324.767 4.754 30 20 DJED Cc1ccccc1[C@H](Nc1nc(C#N)c(Cl)s1)C(C)C 1642247584 FEFLLLQCQLJZCH-CYBMUJFWSA-N 305.834 4.786 30 20 DJED CC(C)(C#N)CCCN1CCC(Cc2ccc(Cl)cc2)CC1 1644190206 PZCXOMIOWMFRJJ-UHFFFAOYSA-N 318.892 4.924 30 20 DJED Cc1cc(C#N)cc(N[C@H](C)Cc2ccccc2C(F)(F)F)c1 1660024164 WFMVFQRNGVCJDL-CYBMUJFWSA-N 318.342 4.929 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1F)[C@@H](C)c1ccsc1 1660057693 OFMSQJUAKOBRQS-ZDUSSCGKSA-N 302.418 4.730 30 20 DJED C[C@H](NCc1ccc(C#N)c(F)c1)[C@H](C)c1ccc(Cl)cc1 1665005292 WEGKVTKYLQIEQV-STQMWFEESA-N 316.807 4.633 30 20 DJED CCCC[C@@H](CCC)CNC(=O)Nc1cccc(C#N)c1C 1667872367 MHMZBPNFGXRHGY-OAHLLOKOSA-N 301.434 4.595 30 20 DJED N#CCOc1cccc(NCc2ccc(Cl)cc2Cl)c1 37069532 GPLJZBLIHKEWHR-UHFFFAOYSA-N 307.180 4.508 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)Nc1c(C)cccc1C 56547088 HHQISDDBVLMOPQ-UHFFFAOYSA-N 312.388 4.663 30 20 DJED N#Cc1ccc(CSCc2ccccc2Br)cc1 58165021 DKVWFLSGTRFSIP-UHFFFAOYSA-N 318.239 4.754 30 20 DJED N#Cc1ccccc1NC(=O)c1ccc(C2CCCCC2)cc1 58955222 ZUKGVDOZNAOJNX-UHFFFAOYSA-N 304.393 4.858 30 20 DJED Cc1nc(SC[C@H](C#N)CCC#N)n(C2CCCCC2)c1C 66401808 DOPPCMMZOQGSFF-HNNXBMFYSA-N 316.474 4.541 30 20 DJED N#Cc1cccc(CN[C@H]2CCc3c2ccc(Cl)c3Cl)c1 113346065 ZNHOOMAGNQQFRC-INIZCTEOSA-N 317.219 4.642 30 20 DJED CC(C)c1ccc([C@@H](C)CC(=O)[C@@H](C#N)c2ccccn2)cc1 121646743 IRBBTMIKUZSECQ-YJBOKZPZSA-N 306.409 4.575 30 20 DJED C[C@@H](NCc1cc(C#N)ccc1F)c1cc(Cl)ccc1Cl 154728190 QZAWYZUNONMTFR-SNVBAGLBSA-N 323.198 4.855 30 20 DJED N#Cc1cc(Cl)ccc1N[C@@H]1CCO[C@@H](c2ccccc2)C1 160581442 OAIDBUBJZGBKNM-SJLPKXTDSA-N 312.800 4.544 30 20 DJED Cc1ccsc1/C=C/C(=O)c1ccc(N2CCCCC2)cc1 164451035 BEPLWIOKZJKEAQ-MDZDMXLPSA-N 311.450 4.943 30 20 DJED Cc1ccccc1NC(=O)CCS[C@H](C)c1ccc(C#N)cc1 173829777 DUSCYGFVEDQARR-OAHLLOKOSA-N 324.449 4.690 30 20 DJED C[C@@H](NCc1ccccc1C(C)(C)C#N)c1cccc(F)c1F 181959884 ZYBQCSLSUFKDOG-CYBMUJFWSA-N 314.379 4.617 30 20 DJED COc1cc([C@@H](C)Nc2ccc(C#N)cc2)ccc1OC(C)C 301081546 LDCSYBNCJNNROM-CQSZACIVSA-N 310.397 4.527 30 20 DJED Cc1ccc([C@H]2CCCN2c2c(F)cc(C#N)cc2F)s1 301293086 OFMLUIVCEUMXJV-CQSZACIVSA-N 304.365 4.548 30 20 DJED CCc1nc2c(s1)[C@@H](N(C)CCCCC(C)(C)C#N)CCC2 409447358 VAQXJBBTPJJYTD-HNNXBMFYSA-N 319.518 4.735 30 20 DJED COc1ccc2oc(CN(C)[C@@H](C)c3cccc(C#N)c3)cc2c1 425368388 WNVFVBVEISWRLI-AWEZNQCLSA-N 320.392 4.506 30 20 DJED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CC2CC2)c1 460331681 QQHVZQYZJUNEFH-UHFFFAOYSA-N 324.811 4.545 30 20 DJED C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)c1cccc(C#N)c1 462257788 OSGLKXSFXNWTGK-JTQLQIEISA-N 319.191 4.607 30 20 DJED N#C[C@H]1CCC[C@H](NCC2(Sc3ccccc3)CCCC2)C1 463290529 KGGVUOJSPNEKDU-IRXDYDNUSA-N 314.498 4.763 30 20 DJED Cc1cc(Cl)ccc1NC(=O)C[C@H](CC#N)c1ccccc1 474417246 UOIDYJYYNBDVPV-HNNXBMFYSA-N 312.800 4.675 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1cccc2[nH]ccc12 485257012 DUHYQUHZQOHFCM-UHFFFAOYSA-N 311.429 4.768 30 20 DJED C=CCCCCCSCc1nnc(-c2ccc(OC)cc2)o1 485581477 PDXDGWAWKQBEKK-UHFFFAOYSA-N 318.442 4.725 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1cccc(Cl)c1Br 486830253 ZJWZMHKNPSALHC-ZDUSSCGKSA-N 316.626 4.643 30 20 DJED CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc2ccccc2c1 515589606 IKFDVKYJGFMLKJ-UHFFFAOYSA-N 317.392 4.520 30 20 DJED C=CCN(Cc1ccccc1)C(=O)N[C@@H](CC)c1ccc(C)cc1 523220511 RATPMRZPRRAEHX-FQEVSTJZSA-N 322.452 4.844 30 20 DJED C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 534635072 GOLPHZRTXQCHTL-CRAIPNDOSA-N 300.446 4.621 30 20 DJED C=CCC[C@@H](NCc1cccc(OC(C)(C)C)n1)c1ccco1 552275338 SBCQRVGKKGMMAP-MRXNPFEDSA-N 314.429 4.649 30 20 DJED CCCCSc1nnc(S[C@@H](C#N)c2ccccc2)s1 563441987 NDHOISGMJOQWLH-LBPRGKRZSA-N 321.496 4.787 30 20 DJED CCOc1ccccc1[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 565850392 LQCVBELZIYFLHC-YWZLYKJASA-N 320.436 4.685 30 20 DJED CC1(C(=O)Nc2sc3c(c2C#N)CCCCCC3)CCCC1 603996812 XEMXVSSGYFOBGC-UHFFFAOYSA-N 316.470 4.798 30 20 DJED C[C@H](C#N)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1 609920919 PRNLDNQTMVBDGJ-LLVKDONJSA-N 316.813 4.589 30 20 DJED C[C@@H](NCc1ccc(Oc2ccccc2)o1)c1cccc(C#N)c1 611543476 BOPRKHIQAODMCP-OAHLLOKOSA-N 318.376 4.794 30 20 DJED Cc1cc(C#N)ccc1CN[C@@H](c1ccccc1)C1CCCC1 614401898 PLDROBDAAAUKQI-NRFANRHFSA-N 304.437 4.888 30 20 DJED Cc1cc(C(=O)/C=C\c2cccc(C(F)(F)F)c2)ccc1O 728230276 CMFYPQJNUJBNDY-ALCCZGGFSA-N 306.283 4.616 30 20 DJED CC(C)c1cnc(CON=Cc2ccc(C(C)(C)C)cc2)o1 733305201 YNFDJYYXVJHVOC-UHFFFAOYSA-N 300.402 4.646 30 20 DJED CC(C)(C)Oc1ccccc1NCCCOc1ccc(C#N)cc1 734484717 ZNPVONHSGXUJFE-UHFFFAOYSA-N 324.424 4.617 30 20 DJED CC(C)c1nc(C#N)c(NN=C2CCCC[C@H]2c2ccccc2)o1 745612460 XOJRIILECJSELI-HNNXBMFYSA-N 322.412 4.795 30 20 DJED C=CCCC(=O)O[C@H](C)c1ncc(-c2ccc(Cl)cc2)o1 751698375 BTOYAAILCVLWSR-LLVKDONJSA-N 305.761 4.565 30 20 DJED CCCCCCCS(=O)(=O)[C@@H](CC)c1ccc(F)cc1 764746603 ZJYBGSLIECXRLB-INIZCTEOSA-N 300.439 4.662 30 20 DJED C[C@H](CCC(=O)OCCCCC(C)(C)C#N)c1ccccc1 768790921 IKHCHACXWJSVKA-MRXNPFEDSA-N 301.430 4.834 30 20 DJED C#CCCCCN[C@@H](C)c1sc(-c2ccccc2F)nc1C 773040693 LSGBKKRHDRDEQS-ZDUSSCGKSA-N 316.445 4.712 30 20 DJED C[C@@H](Nc1ccc(CC(F)(F)F)cc1)c1ccc(C#N)c(F)c1 777072465 XIDCUIYPAUWWEO-LLVKDONJSA-N 322.305 4.975 30 20 DJED Cc1c(C(=O)/C=C/c2ccc(Cl)cc2F)cnn1C(C)(C)C 787186822 NVBKRZQIJKHYPI-SOFGYWHQSA-N 320.795 4.635 30 20 DJED COc1ccc2nc(/C=C/C(=O)c3cccc(C)c3)sc2c1 788731649 ITLIVNNGZIBLAQ-CMDGGOBGSA-N 309.390 4.509 30 20 DJED Cc1ccc(-c2nc(/C=C/C(=O)c3cc(C)c(C)o3)co2)cc1 799897529 QCWVPXPKZIWZCU-CMDGGOBGSA-N 307.349 4.756 30 20 DJED CCCCCCCCC(=O)Nc1nc(C2CCOCC2)cs1 804818464 GRJSRYBAFRBKJE-UHFFFAOYSA-N 324.490 4.726 30 20 DJED CCCCCCCCC(=O)N1CCC[C@H](c2ccncc2)C1 816607652 AWVFDZKJANTNOV-SFHVURJKSA-N 302.462 4.538 30 20 DJED FC(F)C1CC(=NNc2ccc(OCc3ccccc3)cc2)C1 863161264 ZWBJZCLFUQDRBM-UHFFFAOYSA-N 316.351 4.709 30 20 DJED O=C(/C=C\c1ccc(-c2ccc(F)cc2)o1)c1ccc(O)cc1 916134905 WFDWOHPMEOHKNC-LUAWRHEFSA-N 308.308 4.687 30 20 DJED CCC/C(C)=C/C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 920323772 JRLLHAXAYOBMIB-NRMKIYEFSA-N 310.422 4.733 30 20 DJED C[C@@H](c1ccccc1F)N1CCC(c2ccc(C#N)cc2)CC1 1176579001 QQKQAHMERXFZPP-HNNXBMFYSA-N 308.400 4.638 30 20 DJED C[C@H](CCC#N)CN[C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 1207715738 MZKGALOVUJWLQG-BSIFCXSSSA-N 320.436 4.781 30 20 DJED Cc1cccc(C)c1[C@H]1CCCN1CCc1ccc(C#N)cc1 1307921784 ZFUJJTLGTDKNPJ-HXUWFJFHSA-N 304.437 4.555 30 20 DJED COc1ccc([C@@H](N[C@H](C)CC(C)(C)C#N)c2ccccc2)cc1 1308862451 XJZBAFLZNKSDKE-UZLBHIALSA-N 322.452 4.703 30 20 DJED C=CC[C@H](N[C@H]1C[C@H](C)c2c(C)ccc(O)c21)c1ccncc1 1320118490 LZOWCLJFBFKHTH-XIRDDKMYSA-N 308.425 4.551 30 20 DJED Cc1c(C#N)cccc1NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 1355858165 PSCFVCXQIAJGKT-INIZCTEOSA-N 320.436 4.807 30 20 DJED C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1)c1ccc(C#N)cc1 1515123133 CJMCIWTZEJADEZ-SNVBAGLBSA-N 320.175 4.783 30 20 DJED CC(C)CCC1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 1533458977 UFLDTATYIGIFGE-UHFFFAOYSA-N 318.848 4.500 30 20 DJED Cc1cccc([C@@H](NC(=O)c2ccc(C#N)cc2F)C(C)(C)C)c1 1534697776 QGIDMUDQJAIJLL-GOSISDBHSA-N 324.399 4.523 30 20 DJED CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(C#N)cc1Cl 1544256093 RHVJSIKKNQYNPQ-AWEZNQCLSA-N 304.821 4.757 30 20 DJED CCCc1ccc(C(=O)N(CCC#N)c2ccc(C)cc2)s1 1584081052 XRHCNKAJVVISSL-UHFFFAOYSA-N 312.438 4.570 30 20 DJED CC[C@@H](C#N)N(CC)C(=O)c1ccc(-c2cccc(C(C)C)c2)o1 1585347588 MWZXXSJOHYELPR-KRWDZBQOSA-N 324.424 4.834 30 20 DJED CCC[C@H](Nc1cc(C#N)cnn1)c1ccc(Cl)c(Cl)c1 1612014285 LJDGMUNBIRVAJG-AWEZNQCLSA-N 321.211 4.608 30 20 DJED Cc1ccc2sc(Sc3ncc(C#N)cc3Cl)nc2c1 1612945823 OAFVTTZOKGDUGJ-UHFFFAOYSA-N 317.826 4.676 30 20 DJED CC(C)Oc1cccc(COc2nc(C(C)(C)C)ccc2C#N)c1 1614548389 QNUKBPZXBZUOQA-UHFFFAOYSA-N 324.424 4.617 30 20 DJED CCN(Cc1ccc(-c2ccccc2C#N)cc1)CC1CCC1 1617483713 WESOXCPVTYMFPG-UHFFFAOYSA-N 304.437 4.847 30 20 DJED CC[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Nc1ccccc1 1639792952 WNWKYOQMOVPVDS-GFCCVEGCSA-N 313.788 4.572 30 20 DJED N#Cc1ccc(Cl)cc1Oc1nc(C2CCCCC2)ns1 1642431562 NAXYOWJZZNPDMH-UHFFFAOYSA-N 319.817 4.903 30 20 DJED C[C@H](NCCC1(C#N)CCCCC1)c1nc(C(C)(C)C)cs1 1642625902 WSSSGSTVASPRHH-AWEZNQCLSA-N 319.518 4.955 30 20 DJED Cc1ccc(C#N)c(NC[C@@H]2CCCC[C@H]2c2ccccc2)n1 1651852134 QJOLHBLXXTZKBR-OALUTQOASA-N 305.425 4.648 30 20 DJED C[C@H](NCc1ccc(C#N)c(F)c1)[C@@H](C)c1ccc(Cl)cc1 1665005290 WEGKVTKYLQIEQV-OLZOCXBDSA-N 316.807 4.633 30 20 DJED C[C@@H](CCN[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 1665022393 QMDVSGYGARPRKW-HRAATJIYSA-N 304.437 4.719 30 20 DJED Cc1cc(C#N)cc(NC(=O)N2CC[C@@H](C(C)(C)C)C[C@H]2C)c1 1678413224 MIMQRWTXPZPCDU-GDBMZVCRSA-N 313.445 4.545 30 20 DJED N#CCc1cccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 42228981 QJVRRSGPSVNWFL-UHFFFAOYSA-N 324.383 4.576 30 20 DJED CCc1ccc(C(=O)/C=C/c2ccc(OC(F)F)cc2)s1 163996368 QKQCCQYUGGLPEZ-WEVVVXLNSA-N 308.349 4.808 30 20 DJED CC(=O)Nc1ccc(/C=C/C(=O)c2cc3ccccc3s2)cc1 187232847 ICLQUGZFDJLFMD-DHZHZOJOSA-N 321.401 4.756 30 20 DJED C=C(C)COc1cccc(NC(=O)[C@@H](C)c2cccc(F)c2)c1 304110231 YZXVKCPZSMRXAM-AWEZNQCLSA-N 313.372 4.523 30 20 DJED CC(=O)c1cc(Cl)c(Cl)cc1OCCC(C)(C)C#N 410313434 PFWPYRPGCADIPS-UHFFFAOYSA-N 300.185 4.515 30 20 DJED CCC[C@@]1(C)CCCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 426144807 WTTXZJJJBQIMGJ-KRWDZBQOSA-N 319.836 4.646 30 20 DJED C=CCC[C@@H](NC(=O)N1CCC[C@@H]1C(C)C)c1ccccc1 435093772 GPMUNXFMSVXCMW-QZTJIDSGSA-N 300.446 4.524 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)[C@H](C)c1cccc(F)c1 470646759 YKQBYSZYIOBWNJ-MRXNPFEDSA-N 311.400 4.534 30 20 DJED C=CCCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 479523314 DPVQCRJGMWIZCM-KRWDZBQOSA-N 319.857 4.963 30 20 DJED C=CCC[C@H](NC(=O)N1Cc2ccc(C)cc2C1)c1ccccc1 483258119 JOFSCQFKKJNHDD-FQEVSTJZSA-N 320.436 4.728 30 20 DJED CC(C)[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 483527607 BYXDBNNIGMZRCY-GOSISDBHSA-N 316.807 4.838 30 20 DJED N#Cc1cccnc1/C=C/c1cnc(-c2ccc(Cl)cc2)s1 486078740 QLEUJRGPPFPZMO-BQYQJAHWSA-N 323.808 4.901 30 20 DJED C=CC1CCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 494885286 GBZWMADRYORJDC-UHFFFAOYSA-N 317.191 4.562 30 20 DJED C=CCOc1cccc(NC(=O)Nc2cccc(SC)c2)c1 502588913 ZXXWGAZJNNXOLQ-UHFFFAOYSA-N 314.410 4.617 30 20 DJED C[C@H](Nc1ncccc1C#N)c1ccc(Oc2ccccc2)cc1 507030397 SRXUDPHBVYUXBH-HNNXBMFYSA-N 315.376 4.919 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)c1nc2cc(F)ccc2o1 511733466 DKJQZLCPIFBXMN-UHFFFAOYSA-N 323.371 4.501 30 20 DJED C=CCC(CC=C)c1nc([C@H](OC)c2ccccc2Cl)no1 515445711 UNUQZLYHGVGYRZ-OAHLLOKOSA-N 318.804 4.695 30 20 DJED N#Cc1ccc(Nc2cccc(COC3CCCCC3)c2)nc1 519176264 OPTHXUAQLSEPLR-UHFFFAOYSA-N 307.397 4.546 30 20 DJED C=C[C@H](CC(=O)Nc1ccc(OCC)c(F)c1)c1ccccc1 536124576 JTRCTMXCZSZCNW-CQSZACIVSA-N 313.372 4.523 30 20 DJED N#Cc1ccccc1NC(=O)CCCc1ccc2ccccc2c1 539517269 VRSBRAGMFMIUGJ-UHFFFAOYSA-N 314.388 4.673 30 20 DJED N#CC1(CSCc2cc(Br)ccc2Cl)CC1 540619169 MUYPORXPYPOMAE-UHFFFAOYSA-N 316.651 4.639 30 20 DJED CC(C)(C)Oc1cc(F)ccc1NCc1ccc(CC#N)cc1 541294546 RLXXFACGIACRNZ-UHFFFAOYSA-N 312.388 4.681 30 20 DJED N#CCc1ccc(CNc2ccc(Cl)cc2OC(F)F)cc1 545830225 RVFHFGHZMNGNMP-UHFFFAOYSA-N 322.742 4.620 30 20 DJED N#CCn1c(/C=C/c2ccc(C(F)F)cc2)nc2ccccc21 588305722 GASGRCORBFRFFN-JXMROGBWSA-N 309.319 4.668 30 20 DJED C[C@@H](CCC#N)CNc1ccc(C(F)(F)C(F)(F)F)cc1 602619579 PBYONALUVRDRBB-JTQLQIEISA-N 306.278 4.692 30 20 DJED C=CCCCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 605645008 KZGLGLHNUWBYIU-QWHCGFSZSA-N 312.240 4.522 30 20 DJED CCCCCCCCOCC(=O)Nc1sc(C)c(C)c1C#N 741518348 WMPFYFHDDAKFPC-UHFFFAOYSA-N 322.474 4.552 30 20 DJED CC(=NNc1ccccc1C(F)(F)F)c1ccc2c(c1)COC2 743418194 WQGYZBITYZAWNY-UHFFFAOYSA-N 320.314 4.572 30 20 DJED Cc1ccc(-c2nc(/C=C3/CCc4sccc4C3=O)co2)cc1 749892056 RCAFKVWVMVPSSN-UVTDQMKNSA-N 321.401 4.924 30 20 DJED C[C@H](NCc1cc(C#N)ccc1F)c1csc2ccccc12 754731281 LZQBVWLUEWZBHE-LBPRGKRZSA-N 310.397 4.763 30 20 DJED CC(=O)Nc1cccc(C(=O)/C=C/c2cc3ccccc3s2)c1 758422441 AXGZXNVCLLHMBA-MDZDMXLPSA-N 321.401 4.756 30 20 DJED O=C(/C=C/c1c(Cl)oc2ccccc12)c1cncc(F)c1 761206174 QSHMLJTYLGIIGS-AATRIKPKSA-N 301.704 4.516 30 20 DJED Clc1cccnc1NN=Cc1c(Cl)oc2ccccc12 761262227 XWSRDRQJSBSLBE-UHFFFAOYSA-N 306.152 4.581 30 20 DJED CC(CC1CCOCC1)=NNc1c(Cl)cccc1Cl 763187532 CJSMMUJHLYKOQJ-UHFFFAOYSA-N 301.217 4.598 30 20 DJED CC[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2o1)C1CCC(C)CC1 764756209 PVIZIKCNJIWWQJ-QDIHITRGSA-N 324.424 4.857 30 20 DJED C=CC[C@@H](N[C@@H]1C[C@H](C)Sc2sccc21)c1ccncc1 766017838 FBCMXDIEAYOQNS-APHBMKBZSA-N 316.495 4.976 30 20 DJED C=CCN(C(=S)Nc1ccc(Oc2ccccc2)cc1)C1CC1 771546318 GJABIAYRNKZVBM-UHFFFAOYSA-N 324.449 4.826 30 20 DJED Cc1cc(NC(=O)c2cc(C#N)oc2C)ccc1-c1ccccc1 798128326 HHCVZNKEXZQMOS-UHFFFAOYSA-N 316.360 4.687 30 20 DJED Cc1csc(NC(=O)c2cc3c(F)cccc3s2)c1C#N 809002342 AWAVBSPFBLADRS-UHFFFAOYSA-N 316.382 4.534 30 20 DJED O=C(/C=C\c1ccc2cnccc2c1)c1nccc2ccccc12 811698725 LLISFKYDVFRIQK-VURMDHGXSA-N 310.356 4.679 30 20 DJED CC[C@H](C=NNc1ccc(Cl)c(C(=O)O)c1)c1ccccc1 814688619 GIXBWUMWATYQCV-GFCCVEGCSA-N 316.788 4.630 30 20 DJED CC(C)(CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)C1CC1 815912652 UBZWCIJJOROFCG-HNNXBMFYSA-N 324.449 4.813 30 20 DJED CC(=NN[C@@H](C)c1ccncc1)[C@H](C)c1nc2ccccc2s1 819816857 QPRQDDBXGBORLR-JSGCOSHPSA-N 324.453 4.522 30 20 DJED CCCC[C@H](CC)CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842940911 FUEOGVNTBYBRND-GXTWGEPZSA-N 304.459 4.803 30 20 DJED Cc1noc(C)c1/C=C\C(=O)c1ccc(Oc2ccccc2)cc1 916141780 PUOCBLCLWFGZJZ-SEYXRHQNSA-N 319.360 4.980 30 20 DJED O=C1/C(=C\c2ccc(N3CCCCC3)cc2)Cc2c(F)cccc21 921263369 BYWXRUCMDZZRJF-SSZFMOIBSA-N 321.395 4.638 30 20 DJED C=C(CNCc1ccc(OC)c(C(C)(C)C)c1)c1ccccc1 1177688336 UJMANHSPVKZAKF-UHFFFAOYSA-N 309.453 4.796 30 20 DJED CC(C)(C)c1ccc(C#N)c(NCc2cccc(Cl)c2F)n1 1185555172 JTNDRPLWNCTAGJ-UHFFFAOYSA-N 317.795 4.655 30 20 DJED CC[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cccc(C#N)c1 1307498884 FSRFZDWLCZPOTE-LEWJYISDSA-N 304.437 4.716 30 20 DJED C=CC[C@H](N[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21)c1ccncc1 1320118488 LZOWCLJFBFKHTH-HYVNUMGLSA-N 308.425 4.551 30 20 DJED CC(C)(C(=O)Nc1sc2c(c1C#N)CCCC2)C1CCCC1 1350251837 KTKVDEHFLXBJBJ-UHFFFAOYSA-N 316.470 4.653 30 20 DJED CCN(C[C@H](C)c1ccc(OC)cc1)[C@H](C)c1ccc(C#N)cc1 1473117901 QWXVPAQHFBTIRF-DLBZAZTESA-N 322.452 4.753 30 20 DJED Cc1cc(CNc2cccc(Br)c2C)ccc1C#N 1474052086 UNCHXDKVNGPKEC-UHFFFAOYSA-N 315.214 4.550 30 20 DJED N#Cc1ccccc1N(C(=O)CCCc1cccs1)C1CCC1 1538981393 VRCHZSVWXINRMD-UHFFFAOYSA-N 324.449 4.528 30 20 DJED Cc1c(Cl)cnc(N2CC[C@@H](C)C3(CCCCC3)C2)c1C#N 1559171784 GXXYTCWXPVUTCF-CYBMUJFWSA-N 317.864 4.712 30 20 DJED Cc1ccc(CN2CCC(c3ccc(C#N)cc3)CC2)cc1Cl 1561026466 FOELKQVNUHYRAB-UHFFFAOYSA-N 324.855 4.900 30 20 DJED C[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)[C@H](c2ccco2)C1 1615647525 BLKWLTVSSUWYCT-DYVFJYSZSA-N 314.816 4.778 30 20 DJED N#Cc1cccc(CN2CC3(CCCC3)c3cccc(F)c32)c1 1617175921 KWJBWIFUADNJLM-UHFFFAOYSA-N 306.384 4.529 30 20 DJED C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3cc(C#N)cs3)c21 1617201312 UANTUCVRTOKMCL-LLVKDONJSA-N 310.422 4.657 30 20 DJED C[C@H](CC(C)(C)C#N)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 1621392160 OODDNHNAHNFRKV-KMFMINBZSA-N 304.865 4.894 30 20 DJED Cc1ccccc1SC[C@@H](C)CN[C@H](C)c1cccc(C#N)c1 1644465420 LYUBEDBCPOZCMB-DOTOQJQBSA-N 324.493 4.946 30 20 DJED Cc1nsc(NC[C@@H]2CCCC[C@H]2c2ccccc2)c1C#N 1651067236 MYPJBIRPXHRAPY-HOTGVXAUSA-N 311.454 4.709 30 20 DJED Cc1cc(C)c(N[C@H](C)CC(C)(C)C#N)cc1Br 1652245472 YAQYLPAMGZYMIX-GFCCVEGCSA-N 309.251 4.806 30 20 DJED Cc1cccc(CCCN2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 1652554845 LOEZKDPWBAXVIE-YADHBBJMSA-N 318.464 4.699 30 20 DJED N#Cc1cccc(OCc2cc(Cl)cc(Br)c2)c1 1652566575 XYXCGLQMWTWBCM-UHFFFAOYSA-N 322.589 4.553 30 20 DJED Cc1nc(N2CCCCC[C@H]2/C=C\c2ccccc2)ccc1C#N 1655357328 YAYAUPAHUFXYAR-ZQGDAAQZSA-N 317.436 4.724 30 20 DJED Cc1cc(CNC[C@H]2CCCC[C@@H]2c2ccccc2)ccc1C#N 1662461769 JIPKDFAICOLKHD-FGZHOGPDSA-N 318.464 4.930 30 20 DJED N#C[C@@H]1CC[C@H](N[C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)C1 1664987290 KNFICHMNHZIIBG-SIUPPRGNSA-N 302.849 4.648 30 20 DJED C=C(CNC(=O)NC[C@@H]1CCCC[C@@H]1CCC)c1ccccc1 1686699454 WXAFWHPGPYMRCC-OALUTQOASA-N 314.473 4.606 30 20 DJED CC[C@@H](C)c1ccc(C(=O)/C=C\c2cccc(CC(=O)O)c2)cc1 1776697662 MAKUTZBPNHFFED-WASHYIJTSA-N 322.404 4.723 30 20 DJED CCCCCCCCCC[C@@H](C)N=c1cc[nH]c(C(=O)O)c1 1776785290 QHCXQGHYOJGOHT-OAHLLOKOSA-N 306.450 4.533 30 20 DJED CC(C)c1ccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 43192021 AJJVSCWZLZCVBN-AWEZNQCLSA-N 307.397 4.564 30 20 DJED CC(C)(C)CN(CCC#N)Cc1cnc(C2CCCC2)s1 93101132 MXJKLTCZAREYDU-UHFFFAOYSA-N 305.491 4.562 30 20 DJED C[C@@H](NCc1csc(-c2ccccc2)n1)c1cccc(C#N)c1 174429820 QNLRMYVFGIIUKN-CQSZACIVSA-N 319.433 4.533 30 20 DJED Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1ccc(C#N)s1 176406241 QNPHAQASYOCOOJ-BQYQJAHWSA-N 316.451 4.578 30 20 DJED N#CCCCCN[C@H](Cc1cccc(F)c1)c1cccc(F)c1 178640884 AQKWKQRSYXSORV-LJQANCHMSA-N 314.379 4.532 30 20 DJED Cc1scc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c1C 179552595 GYORKHPKRPBKIA-UHFFFAOYSA-N 318.467 4.848 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@H]1C=CCCC1 187794290 DTAOWZDVVMRDLK-GJZGRUSLSA-N 314.454 4.766 30 20 DJED CC(C)COc1cccc(N[C@@H](C)c2ccc(OCC#N)cc2)c1 193903466 SAFQTBHNEKTSFQ-INIZCTEOSA-N 324.424 4.797 30 20 DJED O=C(/C=C\c1csc(-c2cccs2)n1)c1cccs1 255779590 YMGARIOCWODCEZ-WAYWQWQTSA-N 303.433 4.829 30 20 DJED Cc1csc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 294747449 XEDNFYARHODRLV-LBPRGKRZSA-N 316.451 4.561 30 20 DJED N#Cc1cccc(C#N)c1Oc1cc(C(F)(F)F)ccc1Cl 302827763 IBXWEYVPMNAGBT-UHFFFAOYSA-N 322.673 4.894 30 20 DJED C[C@H](Nc1cccc(-c2nccs2)c1)c1ccc(C#N)cc1 314736568 REABNSXPIKFDQB-ZDUSSCGKSA-N 305.406 4.855 30 20 DJED C[C@H]1C[C@H](C(O)=Nc2ccc(-c3cncnc3)cn2)CC(C)(C)C1 328837684 TVWYYPRGGVTBLR-ZFWWWQNUSA-N 324.428 4.589 30 20 DJED Cc1cc(NC(=O)[C@@]2(C#N)CC23CCCC3)c2ccccc2c1 333870760 PFLGOQAUNRKBFB-FQEVSTJZSA-N 304.393 4.561 30 20 DJED CC(C)CN(C(=O)c1cc(C#N)cs1)c1ccccc1Cl 411084226 HJMCVROXCYLRHL-UHFFFAOYSA-N 318.829 4.576 30 20 DJED Cc1c(-c2noc(-c3cccc(CC#N)c3)n2)oc2ccccc12 445505723 SSDNJWHMMJMOHD-UHFFFAOYSA-N 315.332 4.524 30 20 DJED Cc1cc(C#N)cc(C)c1OCc1coc(-c2cccc(F)c2)n1 462636455 DGDUOSYNEISRTL-UHFFFAOYSA-N 322.339 4.548 30 20 DJED C=C(C)CNC(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 488583770 ZWNMMKDXOCZERE-HNNXBMFYSA-N 314.454 4.597 30 20 DJED C=CC[C@H](C(=O)Nc1nc2ccsc2s1)c1ccccc1 488986721 VLNKMOXGYMICMP-LBPRGKRZSA-N 314.435 4.656 30 20 DJED C=CCC[C@@H](NCc1ccc(OC(F)F)cc1)c1ccco1 514086363 AAHKZMKSABMDSF-OAHLLOKOSA-N 307.340 4.678 30 20 DJED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3)cc2)c1 521790403 PFNPDVUCPFIEQD-UHFFFAOYSA-N 314.344 4.603 30 20 DJED CC1CCC(CC(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 524538650 CHRRZYAMBWCCGO-UHFFFAOYSA-N 314.429 4.500 30 20 DJED C=C[C@H](CC(=O)Nc1cccc2cccnc12)c1ccccc1 534648983 NPQBLIFCPGPULO-OAHLLOKOSA-N 302.377 4.533 30 20 DJED C=C[C@H](CC(=O)N[C@H](C)c1c(F)cccc1F)c1ccccc1 535335414 FKNQMTXORSZSQC-ZIAGYGMSSA-N 315.363 4.502 30 20 DJED Cc1ccc([C@@H]2CCCCCN2Cc2ccc(C#N)s2)o1 536660710 ODWGCKAMCXMGAR-INIZCTEOSA-N 300.427 4.639 30 20 DJED N#CCSCCCN[C@@H](c1ccc(Cl)cc1)C1CCCC1 538207530 FTZAHVCBRXQMFF-QGZVFWFLSA-N 322.905 4.808 30 20 DJED CC[C@H](C)n1ncc(N[C@@H](C)c2ccc(C#N)cc2)c1C1CC1 538580171 POVSAFYRKDLNLW-KBPBESRZSA-N 308.429 4.776 30 20 DJED Cc1cccc(C)c1[C@@H](C)NCc1ccccc1C(C)(C)C#N 546930921 HYUGKFZVJDLKJB-QGZVFWFLSA-N 306.453 4.955 30 20 DJED C=CCC[C@@H](NC1CCN(C2CCCCC2)CC1)c1ccco1 552250811 BOSZOJVVRFUBPW-LJQANCHMSA-N 316.489 4.674 30 20 DJED CC[C@H](NC1(c2cccc(C#N)c2)CC1)c1cc(F)ccc1F 560267347 YAGWXZOFRCIZKR-SFHVURJKSA-N 312.363 4.566 30 20 DJED C=CCC[C@H](C(=O)N(C)Cc1sccc1C)c1ccccc1 574102771 QZFIUURRWQPBLL-KRWDZBQOSA-N 313.466 4.765 30 20 DJED C=CCN(Cc1cccs1)C(=O)C[C@@H](C)c1ccccc1F 588355628 JEMFDSOSLLNFIN-CQSZACIVSA-N 317.429 4.596 30 20 DJED Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCc1cccc(C#N)c1 588953743 ICCSLVQMEHVRMJ-FQEVSTJZSA-N 315.420 4.515 30 20 DJED C[C@H](NCCCC#N)c1ccc(O[C@H](C)c2ccccc2)cc1 595034563 YBTIQVBICXWXEA-DLBZAZTESA-N 308.425 4.781 30 20 DJED C=CCCCCCN(C)C(=O)CCSc1ccccc1F 606816450 ZDLZAEGEVINQSG-UHFFFAOYSA-N 309.450 4.513 30 20 DJED N#Cc1cc(F)c(NCCCCCOC2CCCCC2)c(F)c1 609514455 KEYGMIFJSXWFLG-UHFFFAOYSA-N 322.399 4.768 30 20 DJED CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1cc(C)sc1C 727650408 VRHSBWMXMPSOFN-UHFFFAOYSA-N 323.805 4.763 30 20 DJED C[C@H](NCc1ccc2c(c1)CCC(C)(C)O2)c1ccc(C#N)cc1 731677686 YHGVDODSTLZBTD-HNNXBMFYSA-N 320.436 4.513 30 20 DJED N#Cc1ccc(/C=C2/CCCc3ccc(Cl)cc3C2=O)cc1 735232278 KZMZMAZULVYNEV-YBEGLDIGSA-N 307.780 4.814 30 20 DJED C=C(C)COc1cc(/C=C/C(=O)c2ccsc2)ccc1OC 749105617 WHZLEOIXWYGTQE-GQCTYLIASA-N 314.406 4.608 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1CCC(c2ccc(F)cc2)CC1 752096497 VEMWHBOGBOCDKG-HNNXBMFYSA-N 308.400 4.638 30 20 DJED C=CCC(CC=C)C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 758461089 NTCVHYXCGHTWDD-UHFFFAOYSA-N 322.452 4.642 30 20 DJED O=C1/C(=C\c2nc(Cl)cs2)CCc2ccc(Cl)cc21 761204381 ADQYBUWXQRDKEH-UITAMQMPSA-N 310.205 4.662 30 20 DJED Cc1ccc(Cl)c(NCc2ccc(N(C)CCC#N)cc2)c1 767403329 VVIWOGUPCFKODC-UHFFFAOYSA-N 313.832 4.610 30 20 DJED COc1cc(Cl)ccc1NCc1ccccc1C(C)(C)C#N 774367007 CSDDBPNSYXXYPW-UHFFFAOYSA-N 314.816 4.762 30 20 DJED Cc1cc(Cl)cc(C)c1CNc1ccccc1O[C@H](C)C#N 780780771 FAVMPPUUVRVZHR-CQSZACIVSA-N 314.816 4.860 30 20 DJED CC(=NNc1ccnc(F)c1)c1ccc(SC(C)C)cc1 781125170 UCZQZISFBVPYQU-UHFFFAOYSA-N 303.406 4.557 30 20 DJED Clc1ccc(-c2ccc(C=NOCc3cccnc3)cc2)cc1 789035049 WSHNNIAIGASKIM-UHFFFAOYSA-N 322.795 4.953 30 20 DJED CSC1(C=NNc2nc(Cl)c(Cl)cc2Cl)CCC1 800807250 QABOWXIDKUWIDD-UHFFFAOYSA-N 324.664 4.725 30 20 DJED C#Cc1cccc(N(C)C(=O)c2sc3cc(F)ccc3c2C)c1 807582154 HDQHOVAETQWQMF-UHFFFAOYSA-N 323.392 4.607 30 20 DJED C[C@@H]1/C(=C\c2ccc(Cl)nc2Cl)C(=O)c2ccccc21 809158754 DDPOPRVHHVEGKJ-ITTMYVLYSA-N 304.176 4.772 30 20 DJED C#Cc1cccc(N(Cc2cccs2)Cc2oc(C)nc2C)c1 809959498 AFLBRQXSLAKWRV-UHFFFAOYSA-N 322.433 4.541 30 20 DJED Cc1cc(Cl)cc(CNc2ccccc2O[C@@H](C)C#N)c1 815134920 LQACJOMLROTKHQ-ZDUSSCGKSA-N 300.789 4.551 30 20 DJED CCc1ccc([C@H](NCc2cc(C#N)ccc2F)C(C)C)cc1 825131226 VDIQURWBPGDEBW-HXUWFJFHSA-N 310.416 4.747 30 20 DJED N#CC1(CC(=O)N2CCCC[C@@H]2c2ccccc2)CCCCC1 832213190 RIBZXYDFQBOLKS-GOSISDBHSA-N 310.441 4.604 30 20 DJED FC(F)(F)c1ccc(NN=C2CC[C@H]3CCCC[C@@H]3C2)nc1 915917491 DNRWCDYRFAQIFB-VXGBXAGGSA-N 311.351 4.859 30 20 DJED N#Cc1c(NC(=O)C=C2CCCCC2)sc2c1CCCCC2 919977785 DOGGMXFGOGBLLL-UHFFFAOYSA-N 314.454 4.718 30 20 DJED CC(C)(CCC#N)CN1CC(Cc2ccccc2C(F)(F)F)C1 1117813662 BCFKYFGNIBYPQL-UHFFFAOYSA-N 324.390 4.510 30 20 DJED C[C@@H]1CCCc2ccccc2[C@@H]1Nc1nc(C#N)c(Cl)s1 1186043067 GFDLPEYDSIZYKI-QMTHXVAHSA-N 317.845 4.794 30 20 DJED Cc1cccc(C)c1[C@@H]1CCCN1c1ccc(Cl)c(C#N)n1 1186998767 BXRKJVYULQQGQV-INIZCTEOSA-N 311.816 4.565 30 20 DJED CC(=O)[C@H](Sc1ccc(C#N)cc1Cl)c1ccccc1 1188971948 XJXJSXZRJUTEKZ-INIZCTEOSA-N 301.798 4.634 30 20 DJED C=C(Cl)CN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 1193323709 ITEOCNDFGMHYJH-JTQLQIEISA-N 317.660 4.651 30 20 DJED CC[C@H]1CCCC[C@H]1C(=O)N(CC(C)C)c1ccc(C#N)cc1 1264413350 XUGJYLCZKZQVLE-PKOBYXMFSA-N 312.457 4.764 30 20 DJED CC(C)c1nc(N[C@@H](C)c2cccc(C#N)c2)cc(C(C)(C)C)n1 1307206227 GFDKXVWCWIMEHK-AWEZNQCLSA-N 322.456 4.942 30 20 DJED C[C@@H](CCC#N)CN[C@H](c1c(Cl)cccc1Cl)C1CC1 1308804094 YQEAEQJZWBSNRZ-ZBEGNZNMSA-N 311.256 4.974 30 20 DJED COc1cccc2cc(CNc3c(Cl)cccc3C#N)oc12 1323205904 OHXNIISEFGLLEW-UHFFFAOYSA-N 312.756 4.579 30 20 DJED C=CCCCCCN(C)C(=O)NCc1cccc(C(F)F)c1 1343166446 WPIKWKQTAAQWBP-UHFFFAOYSA-N 310.388 4.512 30 20 DJED CC[C@H](c1ccccc1)c1nnc(CC2(C#N)CCCCC2)o1 1349989068 ZSYRMLVYDGSAMO-MRXNPFEDSA-N 309.413 4.628 30 20 DJED COc1ccc(C#N)cc1NC(=O)CC(C)(C)C1CCCCC1 1356242072 XOJXDUFLCHWEFF-UHFFFAOYSA-N 314.429 4.502 30 20 DJED N#Cc1ccc(Cl)cc1Oc1cc(C2CC2)nc(C2CC2)n1 1458267876 RMTLDECTKHIMRI-UHFFFAOYSA-N 311.772 4.549 30 20 DJED CC(C)(C)[C@@H](NCCc1ccc(C#N)cc1)c1cccc(F)c1 1459817553 LUZZTAISVMRTEE-IBGZPJMESA-N 310.416 4.617 30 20 DJED C=C(CNC(=O)[C@H](C)c1cccc(CC(C)C)c1)c1ccccc1 1460673125 IZIRLKVOMCDVIR-GOSISDBHSA-N 321.464 4.818 30 20 DJED CN(CCc1ccc(C#N)cc1)c1ccc(-c2ccccc2)cc1 1473199195 FIMRWKDRKOSYFI-UHFFFAOYSA-N 312.416 4.904 30 20 DJED N#CC[C@@H](CC(=O)Nc1ccccc1C(F)F)c1ccccc1 1526168762 RZVRNTRZGOVOPR-AWEZNQCLSA-N 314.335 4.650 30 20 DJED N#CCc1cccc(NC(=O)c2ccc(C3=CCCC3)cc2)c1 1543586210 AWOWKYNLKXMEDN-UHFFFAOYSA-N 302.377 4.572 30 20 DJED CCCCC1CCC(Nc2c(C#N)nnc3ccccc23)CC1 1559079508 YSZGCMLKMHPULX-UHFFFAOYSA-N 308.429 4.662 30 20 DJED C[C@H]1CCCC[C@H]1NC(=O)Nc1scc(C(C)(C)C)c1C#N 1562851470 YGNLKGOKASZNJQ-SMDDNHRTSA-N 319.474 4.617 30 20 DJED N#Cc1cccc(SCc2ccc(-c3ncco3)cc2F)c1 1613584420 WWXVUESKCQENIH-UHFFFAOYSA-N 310.353 4.645 30 20 DJED CC[C@@H](CC#N)Nc1ncnc2scc(-c3cccs3)c12 1650945170 UJQJLPXGFGXZEM-JTQLQIEISA-N 314.439 4.524 30 20 DJED Cc1ccc(C)c(NC(=O)[C@H](C)Sc2ccc(C#N)c(C)c2)c1 1652913013 YHFARMIMPGVTOL-HNNXBMFYSA-N 324.449 4.603 30 20 DJED C=C(CNC(=O)N(CCC(C)C)C1CCCC1)c1ccccc1 1682940985 NYLBEQXWJUEEQB-UHFFFAOYSA-N 314.473 4.700 30 20 DJED Cc1cc(C)c(C(=O)/C=C\c2cc(C(=O)O)c(C)cc2C)cc1C 1776133084 NFOZZGKTYNRSKN-SREVYHEPSA-N 322.404 4.823 30 20 DJED CCCCSc1nnc(SCc2ccccc2C#N)s1 48395940 MXPXAZCUXVGKLF-UHFFFAOYSA-N 321.496 4.594 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1oc2ccccc2c1C 60678074 UFWKGUPFIDEHJO-UHFFFAOYSA-N 311.406 4.631 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2cnc(-c3ccccc3)s2)cc1 66255659 UWXZCVKIVLOIJO-ZHACJKMWSA-N 316.385 4.578 30 20 DJED CSc1ccc(C(=O)/C=C/c2ccc3ncccc3c2)cc1 69124297 HSIFZXWLEQGBBN-VZUCSPMQSA-N 305.402 4.853 30 20 DJED COc1cccc2cc(C(=O)/C=C/c3cccc(F)c3F)oc12 78561252 CRYQUAQLAXIACA-CMDGGOBGSA-N 314.287 4.616 30 20 DJED C=CCN(C(=O)Cc1coc2cc(C)ccc12)c1ccccc1 105729116 KWZVCRCFFTVXOV-UHFFFAOYSA-N 305.377 4.503 30 20 DJED COc1ccc(CN[C@@H](C)c2ccc3ccccc3c2)cc1C#N 174239625 XDJATQQPOZBUIL-HNNXBMFYSA-N 316.404 4.571 30 20 DJED COc1ccc([C@H](N[C@@H](C)c2ccc(C#N)cc2)C(C)C)cc1 181420055 HCQGMWBXRSMEDE-MGPUTAFESA-N 308.425 4.615 30 20 DJED C[C@H](Sc1nnc(-c2cccs2)o1)c1cccc(C#N)c1 189795488 MKXNAGTWWCYSLW-JTQLQIEISA-N 313.407 4.523 30 20 DJED C[C@@H]1CCC[C@H](Nc2ccc(C#N)c(Br)c2)[C@@H]1C 228175319 AXBBTPLEQZOWDZ-HFAKWTLXSA-N 307.235 4.557 30 20 DJED C=CCOc1ccc(CN[C@H](C)c2cc3ccccc3o2)cc1 237512175 ODIOHPACZJEJTN-OAHLLOKOSA-N 307.393 4.848 30 20 DJED CC[C@H](Nc1ccc2cc(C#N)ccc2n1)c1ccc(OC)cc1 301813676 ICNKROJSYDFOFL-SFHVURJKSA-N 317.392 4.678 30 20 DJED CCSc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 426288702 DLFUJGRZGDFQES-ZDUSSCGKSA-N 314.429 4.660 30 20 DJED N#C[C@H]1CCC[C@H](Nc2cccc(COc3cccc(F)c3)c2)C1 447591492 IHQTZAFLJIBXQG-YJBOKZPZSA-N 324.399 4.899 30 20 DJED CC(C)C[C@@]1(C)CCCN1C(=O)C[C@H](CC#N)c1ccccc1 452512366 QAIQDPXHFKGZIP-AZUAARDMSA-N 312.457 4.501 30 20 DJED Cc1ccc([C@H](N[C@H]2CCC[C@H](C#N)C2)c2ccccc2)cc1 463297324 KPPGTWVVZGTAAL-DZFGPLHGSA-N 304.437 4.756 30 20 DJED C=CCC(CC=C)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 467824709 VEGBWECPSNOCRD-UHFFFAOYSA-N 312.240 4.720 30 20 DJED N#Cc1ccc(CN[C@@H]2CC=C(c3ccc(F)cc3)CC2)c(F)c1 478199067 CBYJYOYPPJFGQL-LJQANCHMSA-N 324.374 4.562 30 20 DJED N#Cc1ccc(CN(Cc2ccoc2)C2CCCCC2)s1 538720677 NKYHXANLJBULAI-UHFFFAOYSA-N 300.427 4.548 30 20 DJED C[C@H](NCc1c(Cl)cccc1Cl)c1cccc(C#N)c1 540592184 UOHGUNJGQAZMBV-NSHDSACASA-N 305.208 4.716 30 20 DJED COCCC[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 543960973 HXSQZZDCQSWKCZ-SJORKVTESA-N 322.452 4.691 30 20 DJED CCC[C@H](NC[C@H](C#N)CCC#N)c1ccc(Cl)c(Cl)c1 569920019 CDVMTFXHIHGGIK-LRDDRELGSA-N 324.255 4.868 30 20 DJED Cc1oc(C#N)cc1C(=O)Nc1ccc2oc3ccccc3c2c1 570469435 AMCMKPNUBAOQDT-UHFFFAOYSA-N 316.316 4.611 30 20 DJED CC(C)(C)c1ncc(/C=C\C(=O)c2cccc(F)c2F)s1 588386969 ZHXLRBKQNPCYQX-FPLPWBNLSA-N 307.365 4.615 30 20 DJED N#CC1(CSCc2oc3ccccc3c2Br)CC1 596380673 FXRUAKJCICWWIK-UHFFFAOYSA-N 322.227 4.732 30 20 DJED N#CCC1CCN(Cc2c(Cl)ccc(Cl)c2Cl)CC1 611622787 IUMAZYBLATZKCY-UHFFFAOYSA-N 317.647 4.772 30 20 DJED Cc1ccc(C)c2c1CCC[C@@H]2N[C@H]1CCc2cc(C#N)ccc21 618803356 ICSDXCGNRWROQH-SFTDATJTSA-N 316.448 4.830 30 20 DJED CCc1ccc(Nc2nc(C)c(C#N)cc2Cl)cc1Cl 691227969 ABJHTBZUPMWDGP-UHFFFAOYSA-N 306.196 4.875 30 20 DJED C#Cc1cccc(N(C)Cc2csc(-c3ccc(F)cc3)n2)c1 728685931 IWDOYCBJRQNZJK-UHFFFAOYSA-N 322.408 4.567 30 20 DJED COc1cc(/C=C2\Cc3c(C)cccc3C2=O)ccc1SC 729149280 CVKLFNYAOVHACU-NTEUORMPSA-N 310.418 4.548 30 20 DJED COCc1ccc(/C=C2\CCc3cc(SC)ccc3C2=O)cc1 741842842 IMWBSSASUWAKHA-GZTJUZNOSA-N 324.445 4.767 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2nc(-c3ccccc3)cs2)s1 749006396 UWBMALZIFZBEON-HJWRWDBZSA-N 322.414 4.639 30 20 DJED CC(C)(CCC#N)CN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 768531465 WTDIIPGJKQMYGI-HNNXBMFYSA-N 324.390 4.825 30 20 DJED CC1CCN(c2ccc(N[C@H](C)c3cccc(C#N)c3)cc2)CC1 777612562 DAHVIAFAOAGUFT-QGZVFWFLSA-N 319.452 4.968 30 20 DJED C#CCCCCCC(=O)Nc1ccccc1CCC(F)(F)F 779984880 WWANDVKNTGXXOD-UHFFFAOYSA-N 311.347 4.704 30 20 DJED N#CC1(COC(=O)CCCc2c[nH]c3ccccc23)CCCCC1 780482946 DOIUYPADLFTFHP-UHFFFAOYSA-N 324.424 4.508 30 20 DJED CC(=NOCc1cccnc1)c1ccccc1SC(C)(C)C 788438094 YLROESBRKQEFIO-UHFFFAOYSA-N 314.454 4.913 30 20 DJED C=CCCCCC[C@@H](C)Nc1cccc(N2CCOC2=O)c1 793549931 TZBADBJVUAQSFQ-OAHLLOKOSA-N 302.418 4.580 30 20 DJED N#CC1(CC[S@](=O)Cc2ccc(Cl)s2)CCCCC1 841719146 ZGLNKOAPIBLMER-IBGZPJMESA-N 315.891 4.514 30 20 DJED CCc1nc2ccccc2n1N=Cc1cc(Cl)cc(Cl)c1 917543508 QKJGYOKCUPGCDP-UHFFFAOYSA-N 318.207 4.788 30 20 DJED CC(CCc1cccc(F)c1)=NNc1nccc2sccc12 920374357 AKVVZIBRJBRNGC-UHFFFAOYSA-N 313.401 4.856 30 20 DJED Oc1ccccc1C=Nc1ccc(NCCc2ccccc2)cc1 920942667 NOFHYBMVMRBVTN-UHFFFAOYSA-N 316.404 4.797 30 20 DJED COc1cccc(C=Nc2ccc3c(c2)Cc2ccccc2-3)c1O 920944447 MLHBHLVVRJIQFE-UHFFFAOYSA-N 315.372 4.723 30 20 DJED CC1(C)CC(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC(C)(C)C1 1128564953 MPUGAJNRODDDBH-SFHVURJKSA-N 324.468 4.514 30 20 DJED CCCC[C@@H](CCC)CNc1ncc(C#N)cc1Br 1162769499 KBNIMVCUZRCMEA-GFCCVEGCSA-N 324.266 4.734 30 20 DJED N#CCc1cccc(NC(=O)c2sccc2-c2ccccc2)c1 1195719621 XXIWODJGLLLVPV-UHFFFAOYSA-N 318.401 4.733 30 20 DJED Cc1cc(C)c(C(=O)[C@@H](C)Sc2cccc(C#N)c2)cc1C 1307309694 SIRYPRXCTYNPDE-OAHLLOKOSA-N 309.434 4.847 30 20 DJED CCC(CC)[C@@H](NC(=O)c1ccc(C#N)cc1F)c1ccccc1 1353904738 HLAOHYVJBSELSX-LJQANCHMSA-N 324.399 4.605 30 20 DJED CCOc1ccc(Nc2c(C#N)cnc3c(Cl)cccc23)cc1 1458063309 ORMGXCOVHSBTQR-UHFFFAOYSA-N 323.783 4.902 30 20 DJED Cc1cc(Oc2cccc(Oc3ccccc3)c2)ncc1C#N 1458064890 MQHZBCYMMMOBJN-UHFFFAOYSA-N 302.333 4.846 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1NCc1cccc(F)c1 1458079843 GFXJZBGUFZDKOK-UHFFFAOYSA-N 311.747 4.511 30 20 DJED C[C@@H]1c2ccccc2CCN1Cc1ccccc1C(C)(C)C#N 1459640115 VLTTXODSPSYFOQ-MRXNPFEDSA-N 304.437 4.607 30 20 DJED C[C@H](Nc1nc(C(C)(C)C)ccc1C#N)c1ccc(F)cc1F 1472718539 DXUADLPPCUTOOF-NSHDSACASA-N 315.367 4.702 30 20 DJED CCOc1ccc(Cl)cc1CN(CCC#N)CC(C)(C)C 1474339871 QJVVMXGNDNTJFV-UHFFFAOYSA-N 308.853 4.500 30 20 DJED CCCC[C@H](C(=O)N(C)[C@H](C#N)c1ccc(CC)cc1)C(C)C 1524111369 OVEAPFGDDGOAQG-RBUKOAKNSA-N 314.473 4.734 30 20 DJED Cc1ccc(C#N)cc1C(=O)O[C@@H](C)c1cccc(Cl)c1F 1527949037 JTAZBOASURHRFW-NSHDSACASA-N 317.747 4.577 30 20 DJED CC[C@H](C)CC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1528585368 YYUPVPKCSNAHOD-HOTGVXAUSA-N 320.436 4.839 30 20 DJED C[C@@H](OC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C#N)cc1 1539792009 UBOOUIFXXQHXDH-CQSZACIVSA-N 307.393 4.774 30 20 DJED COc1cccc(CSc2ccc(C#N)cc2Cl)c1C 1559387429 VZILZZKHPBRRSH-UHFFFAOYSA-N 303.814 4.821 30 20 DJED N#Cc1cc(F)ccc1CN1CCC(CCc2ccccc2)CC1 1560148544 YPANVBNWWXFTDU-UHFFFAOYSA-N 322.427 4.542 30 20 DJED Cc1cccc2c1N(C(=O)c1ccc(Cl)c(C#N)c1)CC[C@H]2C 1588219778 VVYHLNDKONOAKX-GFCCVEGCSA-N 324.811 4.674 30 20 DJED CC(=O)[C@@](C#N)(CCSc1cc(C)ccc1C)c1ccccc1 1613279978 SNOVGHMXEOJMQG-FQEVSTJZSA-N 323.461 4.836 30 20 DJED COc1cc(CN(C(C)C)[C@H](C)c2ccccc2)ccc1C#N 1621367740 OIIZYWPNFSMTCV-MRXNPFEDSA-N 308.425 4.538 30 20 DJED Cc1cc(Nc2ccc(Nc3ccccc3)cc2)ncc1C#N 1639186456 QEFKRVQWWRFSIF-UHFFFAOYSA-N 300.365 4.749 30 20 DJED C[C@]1(c2ccccc2)CCCN(Cc2ccc(F)cc2C#N)CC1 1643057471 VBKOCTJZSFTMLS-NRFANRHFSA-N 322.427 4.641 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2CCC[C@H](C(C)(C)C)CC2)n1 1650752531 FPZSYHSQHZJSMI-INIZCTEOSA-N 313.489 4.903 30 20 DJED CC(C)[C@@H](CNc1ccc(Cl)c(C#N)n1)Cc1ccccc1 1650983781 MXTPRVYMKQMWBV-OAHLLOKOSA-N 313.832 4.533 30 20 DJED CCCc1ccc(C(=O)/C=C/c2cc(C(=O)O)c(C)cc2C)cc1 1776112602 CCIJJKOAEQDRIS-ZHACJKMWSA-N 322.404 4.850 30 20 DJED N#Cc1ccc(F)c(CN(Cc2ccc(Cl)cc2)C2CC2)c1 59388025 RTOVVVCHGIAWSS-UHFFFAOYSA-N 314.791 4.515 30 20 DJED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(C)(C)C 98110423 NNCBPNPGNSHWFG-UHFFFAOYSA-N 308.381 4.644 30 20 DJED N#Cc1c(CSc2ccnc3ccccc23)cn2ccccc12 110656704 FVRIORANXBVUFI-UHFFFAOYSA-N 315.401 4.651 30 20 DJED CCCCCCCCC(=O)[C@@H](C#N)c1nc2ccccc2n1C 122136140 ZDRANLFBWQELOE-OAHLLOKOSA-N 311.429 4.500 30 20 DJED C[C@@H](NCc1ccc(C#N)s1)c1ccc(Cl)cc1Cl 135668651 ZSQZOCHSUISELE-SECBINFHSA-N 311.237 4.777 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCc1cc(F)ccc1F 176881033 LQAWXRGCKIEXRZ-GFCCVEGCSA-N 318.392 4.971 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCc1cccc(C#N)c1 178391802 HWUWLAQVOIXOTQ-AWEZNQCLSA-N 307.422 4.565 30 20 DJED CC(C)(CCC#N)CNCC1(c2c(F)cccc2F)CCCC1 236817230 WESPEPWAYLNUDT-UHFFFAOYSA-N 320.427 4.696 30 20 DJED Cc1ccccc1[C@@H](C)NCc1cccc(OCCCC#N)c1 237333841 JDDGWIQDQYYOEZ-QGZVFWFLSA-N 308.425 4.528 30 20 DJED Cc1ccnc(NCc2cccc(-c3ccc(C#N)s3)c2)c1 301641069 MFPWXDAVTLIMCO-UHFFFAOYSA-N 305.406 4.602 30 20 DJED C=CCN(Cc1ccccc1)C(=O)N[C@H](C)c1cc(C)cc(C)c1 303323223 RQVRXFWHXDZMRO-GOSISDBHSA-N 322.452 4.762 30 20 DJED C=CCC[C@@H](NC(=O)c1cccc2oc(C)nc12)c1ccccc1 348335666 BQIKKLYXJMYIRJ-QGZVFWFLSA-N 320.392 4.574 30 20 DJED C=CCC[C@H](NC(=O)[C@H]1Cc2ccccc2S1)c1ccccc1 435280421 SKYTWXBNLRLMFH-PKOBYXMFSA-N 323.461 4.527 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 435729953 CBCKXFCCMMFKQJ-MLZLACJZSA-N 313.485 4.530 30 20 DJED Cc1ccc(CNC2CCC(C)(C#N)CC2)c(OC(C)(C)C)c1 449191257 RXZSLDMYIKTRBI-UHFFFAOYSA-N 314.473 4.734 30 20 DJED C=CCC1(C(=O)Nc2cc(Cl)c(Cl)cc2F)CCC1 466586245 NFNVPQKAMNOPGF-UHFFFAOYSA-N 302.176 4.817 30 20 DJED CC(C)[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 471621795 UIDHARHBOCLVDA-KCXAZCMYSA-N 310.363 4.684 30 20 DJED CC(C)(C#N)CCCSCc1ccc(C#N)cc1OC(F)F 480393202 FBFLXUIWTYVOFU-UHFFFAOYSA-N 324.396 4.723 30 20 DJED C=C(C)[C@H](N[C@H](C)c1ccccc1OC)c1ccc(F)c(F)c1 480657418 HDTDCLBKENVTEY-YJYMSZOUSA-N 317.379 4.941 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc(COC(C)C)cc1)c1ccccc1 488689682 WMPWKUTUAYCQLS-HXUWFJFHSA-N 323.436 4.910 30 20 DJED C=CCN(CCc1ccco1)Cc1nc(-c2ccccc2)cs1 495129070 SGWUUNFCGCLTRL-UHFFFAOYSA-N 324.449 4.634 30 20 DJED C=CCN(CCc1ccco1)C(=O)Nc1ccc(/C=C\C)cc1 497404991 DUEIWHSUXMDLNR-UTCJRWHESA-N 310.397 4.575 30 20 DJED C=CCn1c(S[C@H](C(C)=O)c2ccccc2)nc2ccccc21 510969521 RMUHHFNDLREOKC-GOSISDBHSA-N 322.433 4.645 30 20 DJED CC(C)c1cnc(SCc2ccc(C#N)cc2F)n1C(C)C 523498410 GUPCONWVLPBGPL-UHFFFAOYSA-N 317.433 4.890 30 20 DJED CC(=O)c1ccc(C#N)c(NCc2cccc(Cl)c2Cl)c1 544395147 IQUXDKKOTABENB-UHFFFAOYSA-N 319.191 4.680 30 20 DJED C=CCC(C)(C)c1noc([C@@H]2C[C@@H]2c2cccc(Cl)c2)n1 551140910 VYYDXHICVBKPRR-ZIAGYGMSSA-N 302.805 4.848 30 20 DJED CCNc1ccc(C#N)cc1NC(=O)c1cccc(C2CCC2)c1 552105769 HNLXMFMIUBINKP-UHFFFAOYSA-N 319.408 4.510 30 20 DJED C=CCC(CC=C)c1nc(COc2ccc(Cl)cc2)no1 564524438 GEROWMUGMJCDIM-UHFFFAOYSA-N 304.777 4.538 30 20 DJED N#Cc1ccc2c(c1)[C@@H](NCc1cc(Cl)sc1Cl)CC2 572387974 DLMXYFQMUQLQRI-ZDUSSCGKSA-N 323.248 4.704 30 20 DJED Cc1cc(C)cc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c1 574661673 XOLBKXDOMUHEBK-IIBYNOLFSA-N 304.437 4.903 30 20 DJED CC(C)(C#N)Cc1cccc(-c2ccc(O[C@H]3CCOC3)cc2)c1 592984077 LRBCOGVURGHTLX-FQEVSTJZSA-N 321.420 4.614 30 20 DJED N#CCC1(CSc2nnc(-c3ccc4ccccc4c3)o2)CC1 594885184 AKJPHDQCJMGAEL-UHFFFAOYSA-N 321.405 4.676 30 20 DJED CCOc1ccc(Cl)c(NC(=O)CC2(C#N)CCCCC2)c1 597712305 FUFYFRCJPGUZGJ-UHFFFAOYSA-N 320.820 4.541 30 20 DJED Cc1cc(Cl)cc2nc(SCc3ccccc3C#N)oc12 609750730 BVNCCZLQRNJZMH-UHFFFAOYSA-N 314.797 4.954 30 20 DJED C=CCC(C)(C)C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 645301381 WEWCMUIOKRTAGD-AWEZNQCLSA-N 305.487 4.967 30 20 DJED C=CCC(CC=C)C(=O)Nc1cc(C(C)(C)C)ccc1OC 675150371 ZYQIDYZYIJOAMI-UHFFFAOYSA-N 301.430 4.700 30 20 DJED COc1ccc(/C=C2\CCc3sccc3C2=O)c(Cl)c1 726892577 NNFAHAPLFRJIMB-DHZHZOJOSA-N 304.798 4.623 30 20 DJED C#Cc1cccc(N(C(=O)c2cc3ccccc3s2)C(C)C)c1 728247785 QXIBKBQGWKQNRT-UHFFFAOYSA-N 319.429 4.938 30 20 DJED Cc1ncccc1/C=C1\Cc2c(ccc(Cl)c2Cl)C1=O 729151489 SIIJRAFTXGZJQC-YRNVUSSQSA-N 304.176 4.519 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C/c1nc(-c3ccccc3)cs1)C2 730949346 UAQFDFLSFAZJIC-LFIBNONCSA-N 317.413 4.941 30 20 DJED CCC/C(C)=C/C(=O)Nc1ccccc1S[C@@H](C)CC#N 731333168 XLWJIQFNYVBYKZ-FNDVETGQSA-N 302.443 4.766 30 20 DJED N#C[C@@H](Sc1nnc(-c2ccccc2)s1)C1CCCCC1 734367278 HFLSTNDSXYQXJQ-CQSZACIVSA-N 315.467 4.770 30 20 DJED CCCCCCC[C@@H](C)CNC(=O)c1c(C)noc1C(F)F 746152329 HEJRTJDMICMYGP-LLVKDONJSA-N 316.392 4.647 30 20 DJED COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2F)c(F)c1 753713644 JDRRITSAUDZCRJ-FARCUNLSSA-N 308.711 4.523 30 20 DJED Cn1cnc2cc(/C=C/C(=O)c3ccc4ccccc4c3)ccc21 761199147 CHRTVPGGMQAEFY-YRNVUSSQSA-N 312.372 4.623 30 20 DJED O=C(/C=C/c1ccc(Cl)nc1Cl)c1c[nH]c2ccccc12 761477331 MXOGDLVMGCCGND-FNORWQNLSA-N 317.175 4.766 30 20 DJED C=CC[C@H](N[C@H](C)c1cnc2ccsc2c1)c1ccncc1 766018938 JSNQLKBFZVLBES-CJNGLKHVSA-N 309.438 4.659 30 20 DJED N#Cc1ccccc1/C=C/c1nc(-c2cccc(C(F)F)c2)no1 771514969 OZCUBNDVRNDBLP-CMDGGOBGSA-N 323.302 4.716 30 20 DJED FCC[C@H]1CCCC1=NNc1ccc(Br)c(F)c1 794931355 UOAWNKYHQCJEOA-SECBINFHSA-N 317.177 4.516 30 20 DJED N#C[C@@H]1CC[C@@H](Nc2ccc(OC3CCCC3)c(Cl)c2)C1 799721580 MQENVZSVZSMYPR-CHWSQXEVSA-N 304.821 4.766 30 20 DJED CCCCCCCCC[C@@H](C)CC(=O)N1CCC2(CCO2)CC1 800653836 YBDJUZAIBKLTKH-GOSISDBHSA-N 323.521 4.935 30 20 DJED N#CC[C@H](CC(=O)O[C@H]1C[C@@H](c2ccccc2)C1)c1ccccc1 809105022 YOHNVNKTCBKBCA-AQNXPRMDSA-N 319.404 4.563 30 20 DJED C[C@H]1/C(=C/c2coc(-c3ccccc3)n2)C(=O)c2ccccc21 809159323 NJXXVGJWBSXGDF-NCUBORBFSA-N 301.345 4.725 30 20 DJED CCCCCCCCCn1nc(C)c([C@H]2CCCC(=O)N2)c1C 853721469 GJYIQDRVXDSIOX-QGZVFWFLSA-N 319.493 4.592 30 20 DJED CCC(C#N)(CC)C(=O)OCC[C@@H](C)c1c[nH]c2ccccc12 860712259 QGAGTMDBWNTOHI-CQSZACIVSA-N 312.413 4.535 30 20 DJED C=CCCC[C@H](C)Nc1ccc([S@@](=N)(=O)C(F)(F)F)cc1 882162408 CPIPJIAYJADPOZ-WIUDPPPLSA-N 320.380 4.769 30 20 DJED C=CCN(C(=O)c1ccc(-c2ccccc2Cl)o1)C(C)C 914682831 KMSIEVHAGOWHKJ-UHFFFAOYSA-N 303.789 4.637 30 20 DJED C=CCN(Cc1csc(-c2ccc(OCC)cc2)n1)C(C)C 917070473 CHIFSBQWPDVUBY-UHFFFAOYSA-N 316.470 4.605 30 20 DJED Cc1ccccc1-c1ccccc1C(=O)NCC(C)(C)CCC#N 935993317 SDASEFHISRVCDN-UHFFFAOYSA-N 320.436 4.722 30 20 DJED CCC(CC)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 1124282944 LPHCHBVRLPITGQ-GFCCVEGCSA-N 318.486 4.899 30 20 DJED CCCCN(C(=O)c1ccc(C)c(C#N)c1)[C@@H](C)c1ccc(C)o1 1124887098 UDSOWCKBYOXPDM-INIZCTEOSA-N 324.424 4.772 30 20 DJED CC[C@H](c1ccccc1)N(C(=O)c1cc(C#N)ccc1C)C(C)C 1131575942 QIDDLFMDPAHGNB-HXUWFJFHSA-N 320.436 4.869 30 20 DJED CC(C)(C)N(CCc1ccc(C#N)cc1)Cc1ccc(F)cc1 1168026195 OXGJYVBLGHVRQE-UHFFFAOYSA-N 310.416 4.541 30 20 DJED C[C@@H](Cc1ccc(F)cc1Cl)N[C@@H](C)c1cccc(C#N)c1 1172860515 FBOSNKFLWPUFJT-STQMWFEESA-N 316.807 4.633 30 20 DJED Cc1nc(N(CCc2ccccc2)CCC(C)(C)C)ccc1C#N 1307196431 TVEYZRTWPFYCDP-UHFFFAOYSA-N 321.468 4.747 30 20 DJED C=C[C@H]1CCCCN1C(=O)c1nc(-c2ccccc2)oc1C(C)C 1339406039 CIKGKCLEJJZWBW-INIZCTEOSA-N 324.424 4.646 30 20 DJED Cc1cccc2cc(C(=O)O[C@@H](C)c3ccc(C#N)cc3)sc12 1435363196 LETNBHKPBHBSHO-ZDUSSCGKSA-N 321.401 4.999 30 20 DJED N#C[C@H]1CCC[C@H](OC(=O)c2cc3c(Cl)cccc3s2)C1 1436650485 YPEPSOMHPRMRAW-QWRGUYRKSA-N 319.813 4.794 30 20 DJED Cc1c(Cl)cnc(N[C@H]2CC(C)(C)c3ccccc32)c1C#N 1458256636 ZBARBWYZDKFRCP-INIZCTEOSA-N 311.816 4.750 30 20 DJED CC[C@H](Cc1ccc(C)cc1)N(CC)CCCC(C)(C)C#N 1459553508 XMDFXDQAQAXCJT-LJQANCHMSA-N 300.490 4.968 30 20 DJED CC[C@@H](OC(=O)c1ccc(C#N)s1)c1c(F)cccc1Cl 1517866359 LQTXQAKRHRPNRI-GFCCVEGCSA-N 323.776 4.720 30 20 DJED N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cccc3ccsc23)c1 1534499776 KPXHFEDKMQVFCH-JKSUJKDBSA-N 318.401 4.515 30 20 DJED CN(C(=O)CC/C=C\c1ccccc1)c1ccc(C#N)c(Cl)c1 1535034379 JZPWLXKVAMJNTG-UITAMQMPSA-N 324.811 4.668 30 20 DJED CCCC1CCC(N(C)C(=O)Nc2ccc(C#N)c(F)c2)CC1 1562909617 VNRBDFCVILWVPB-UHFFFAOYSA-N 317.408 4.520 30 20 DJED CCCC[C@@H](CC)CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1598327373 LKQOIKRCTKGQNI-JKSUJKDBSA-N 300.446 4.684 30 20 DJED CC[C@H]1c2ccccc2CCN1Cc1ccc(C#N)cc1Cl 1615531361 QNVBGGPTEBKOEM-IBGZPJMESA-N 310.828 4.721 30 20 DJED Cc1cc(C#N)cc(NCc2cc(C)c(OC(F)F)c(C)c2)c1 1620968252 QWZMZRRRPNKTGO-UHFFFAOYSA-N 316.351 4.697 30 20 DJED CC[C@H](C#N)C(=O)Nc1ccc(Oc2ccccc2)c(Cl)c1 1639850545 WOJQDDGPKCVWDE-GFCCVEGCSA-N 314.772 4.621 30 20 DJED CC[C@H](Cc1ccc(C)cc1)N(CC)Cc1cccc(C#N)c1 1644687766 HQGSOLBSUMAYSM-OAQYLSRUSA-N 306.453 4.710 30 20 DJED CC[C@@H](C)[C@@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N 1651727323 KLWSPLOZVQGICU-PSASIEDQSA-N 302.365 4.807 30 20 DJED CN(CCCc1ccccc1)Cc1ccccc1C(C)(C)C#N 1653173958 UXXGYIWPUJRSQN-UHFFFAOYSA-N 306.453 4.552 30 20 DJED CCN(Cc1ccc(Cl)cc1C#N)c1ccc(F)c(C)c1 1654725251 VRHBYRDWDOVCBY-UHFFFAOYSA-N 302.780 4.686 30 20 DJED Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ccc(CC#N)cc2)o1 1657430810 CSORXPASWWDMKY-KXBFYZLASA-N 308.425 4.627 30 20 DJED C=CCN(Cc1ccccc1)C(=O)C[C@@H](C=C)c1ccccc1 35077349 GAVYLDZQRLXWIZ-LJQANCHMSA-N 305.421 4.561 30 20 DJED C#Cc1cccc(NC(=O)N(C)Cc2csc3ccccc23)c1 45987902 XOZNOXDPWHDGOV-UHFFFAOYSA-N 320.417 4.547 30 20 DJED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCC2)cc1Cl 47227185 MJBLPLSVMYOPCL-KRWDZBQOSA-N 324.811 4.734 30 20 DJED CCc1c(C)sc(NC(=O)c2cccc(C)c2Cl)c1C#N 165786645 QEPGYMDCBHXKPX-UHFFFAOYSA-N 318.829 4.705 30 20 DJED C[C@H](N[C@@H](C)c1ncc(-c2ccccc2)o1)c1ccc(C#N)cc1 173904037 JWERPTDZTZRENC-GJZGRUSLSA-N 317.392 4.625 30 20 DJED CCc1cccc(Oc2ccc(C#N)c(Br)c2)c1 228200543 WVQUWVRFLPJOPX-UHFFFAOYSA-N 302.171 4.675 30 20 DJED CCOc1cccc([C@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)c1 271924230 FVGSZEKJDKULDD-UONOGXRCSA-N 312.388 4.508 30 20 DJED C[C@@H](Nc1cccc(F)c1C#N)c1cccc(C(F)(F)F)c1 302605519 SGOCHSLXEGADKW-SNVBAGLBSA-N 308.278 4.889 30 20 DJED CC(C)(C)C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccccc1 404752580 ISRSUFIHPPKJTI-LJQANCHMSA-N 310.416 4.964 30 20 DJED CC(C)CCN(CCC#N)C(=O)Nc1ccc(C(C)(C)C)cc1 429211918 ZGHYNOQAMXPCMX-UHFFFAOYSA-N 315.461 4.778 30 20 DJED Cc1cccn2cc(CS[C@H](C)c3ccc(C#N)cc3)nc12 439544782 GKCIDJRMQADWJJ-CQSZACIVSA-N 307.422 4.509 30 20 DJED CC[C@H](NCc1cc(F)ccc1SC)c1ccc(C#N)cc1 447528869 KLSZENXMKHTFCR-KRWDZBQOSA-N 314.429 4.660 30 20 DJED C=C1CCN(C(=O)c2ccccc2Sc2ccccc2)CC1 461116679 XTTGEHJQDZUJFN-UHFFFAOYSA-N 309.434 4.630 30 20 DJED CC(C)Sc1ccccc1NC(=O)[C@@H](C)c1cccc(C#N)c1 464137308 NAPWNPCVUFUBPH-AWEZNQCLSA-N 324.449 4.801 30 20 DJED N#Cc1ccc(Oc2ccc(OCCC(F)(F)F)cc2)cc1 480340749 WEMRGFCNYDWZHU-UHFFFAOYSA-N 307.271 4.682 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)CCC1CCC1 487482042 MMOJZRILQDATMX-UHFFFAOYSA-N 310.422 4.806 30 20 DJED Cc1ccc(-c2ncc(CNc3cccc(C#N)c3C)s2)o1 500751031 NBODTDNXHZJNNC-UHFFFAOYSA-N 309.394 4.504 30 20 DJED CC[C@@](C)(C#N)C(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 510018565 JWFXABBCCFUZTI-YWZLYKJASA-N 321.424 4.738 30 20 DJED Cc1cccc([C@@H](NCC2(CC#N)CC2)c2cccc(F)c2)c1 510992196 LYGQCGFUCKFSNL-LJQANCHMSA-N 308.400 4.507 30 20 DJED C=CCC[C@H](NCc1cccc(OC(F)F)c1)c1ccco1 513698183 XJSOQRPQMBNHGE-HNNXBMFYSA-N 307.340 4.678 30 20 DJED N#Cc1ccc(CNc2ccc(-c3cnc(C4CC4)o3)cc2)cc1 532725377 KUXYDJBMUYOPLC-UHFFFAOYSA-N 315.376 4.703 30 20 DJED C[C@H](NC1(c2cccc(Cl)c2)CC1)c1ccc(C#N)c(F)c1 539652868 GCFKTYGEVKPCKX-LBPRGKRZSA-N 314.791 4.691 30 20 DJED CCCC[C@H](NCc1ccc(CC#N)cc1)c1ccc(OC)cc1 543182405 REHWSZIRKFZSOH-NRFANRHFSA-N 322.452 4.782 30 20 DJED C[C@@H](CCC(C)(C)C)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 544415041 IKYHYRFZYVHXOK-INIZCTEOSA-N 324.468 4.636 30 20 DJED C=CCC(C)(C)c1noc([C@@H]2C[C@@H]2c2ccccc2Cl)n1 577404725 NQKVXLSRCQZGOI-CHWSQXEVSA-N 302.805 4.848 30 20 DJED Cc1ccccc1[C@H](N[C@@H]1CCc2ccc(C#N)cc21)C(C)C 584142878 XNNLOTNXTMMIIQ-NHCUHLMSSA-N 304.437 4.841 30 20 DJED Cc1cc(OC(C)C)ccc1NC(=O)CC1(C#N)CCCCC1 596860077 SGGWGCFJAXIXGO-UHFFFAOYSA-N 314.429 4.585 30 20 DJED C=CCCSCC(=O)c1cc(C)n(Cc2cccs2)c1C 610088818 ALKFGMIEGYUYDB-UHFFFAOYSA-N 319.495 4.707 30 20 DJED CC[C@@](C)(C#N)NC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 610291440 DURWPENEIUUADA-FQEVSTJZSA-N 324.424 4.666 30 20 DJED C=C[C@@H](CC(=O)N1CCc2cc(F)ccc2[C@@H]1C)c1ccccc1 677553815 HXRZYIRZFVNKQA-HOTGVXAUSA-N 323.411 4.631 30 20 DJED FC(F)(F)c1cc(C=Nn2cnc3ccccc32)ccc1Cl 727255522 JUURXIPWGXBCNV-UHFFFAOYSA-N 323.705 4.591 30 20 DJED C#Cc1cccc(N(C(=O)C[C@H](C)c2ccccc2)C(C)C)c1 728247830 IZJOCGCADAQACU-KRWDZBQOSA-N 305.421 4.603 30 20 DJED COc1ccc(C)cc1C(=O)/C=C\c1coc(-c2ccccc2)n1 731835879 UOLSLIRJZLZFQD-KTKRTIGZSA-N 319.360 4.555 30 20 DJED COc1cccc(NN=C(C)c2ccc(SC(F)F)cc2)c1 734978945 YBUSJJHSUHQXEN-UHFFFAOYSA-N 322.380 4.846 30 20 DJED N#Cc1cc2ccccc2nc1N1CCC[C@@H]1c1cccs1 750011226 MERPYBOALPRRBD-MRXNPFEDSA-N 305.406 4.509 30 20 DJED COc1ccc(/C=C/C(=O)c2cc3ccc(C)cc3o2)cc1C#N 754830050 OZAAUAUSGVAKPO-QPJJXVBHSA-N 317.344 4.518 30 20 DJED CC(C)(C#N)CCCOC(=O)c1cc2c(ccc3ccccc32)[nH]1 775229739 CPXCXAPXBYLTRR-UHFFFAOYSA-N 320.392 4.808 30 20 DJED COc1ccc(N[C@@H]2CCCc3cc(C#N)ccc32)cc1Cl 776797264 NFWLWPTZDYJFAS-QGZVFWFLSA-N 312.800 4.710 30 20 DJED C#CCCCCCC(=O)Nc1ccc(Br)cc1CC 779986420 KTYNPQKOIPCTPZ-UHFFFAOYSA-N 322.246 4.534 30 20 DJED FC(F)CON=C1CCC[C@H]1c1cccc(C(F)(F)F)c1 789050836 LKVHKFIMSGMSRJ-NSHDSACASA-N 307.262 4.611 30 20 DJED CCc1cccc(NC(=S)N(C)[C@@H](C)c2cccc(C#N)c2)c1 819029177 YMCBIDGRHNPWBW-AWEZNQCLSA-N 323.465 4.510 30 20 DJED CCCCCCCC(=O)N[C@H]1CCSc2ccc(F)cc21 827925963 FPFVRQDXFWMRSC-HNNXBMFYSA-N 309.450 4.839 30 20 DJED Cc1cc(C)cc(NN=Cc2c(C)nn(-c3ccccc3)c2C)c1 916346569 IYAQDCOOIWQOPE-UHFFFAOYSA-N 318.424 4.552 30 20 DJED C=CCCO[C@H](C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)o1 1117247499 JYERRIHFMYZDGR-VXGBXAGGSA-N 322.792 4.517 30 20 DJED CCCN(C(=O)c1cccc(C#N)c1C)[C@@H](CC)c1ccccc1 1124942170 KAFCEIXESOLQHF-FQEVSTJZSA-N 320.436 4.870 30 20 DJED CC(C)[C@@H]1CCc2ccccc2N1Cc1ccc(F)cc1C#N 1168934438 XMOIERLPMOKSSZ-IBGZPJMESA-N 308.400 4.675 30 20 DJED Cc1c(C)c(C)c(CN[C@@H](C)c2cccc(C#N)c2)c(C)c1C 1176052155 MIZFBOYAJMMKCJ-SFHVURJKSA-N 306.453 4.951 30 20 DJED CC(C)(Cc1ccc(Cl)cc1Cl)Nc1ncccc1C#N 1185676791 LGBOJGDTYQPNBP-UHFFFAOYSA-N 320.223 4.693 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)[C@H](C)c1nccc2ccccc12 1206376234 DGGMUESACMSGOQ-HZPDHXFCSA-N 315.420 4.860 30 20 DJED C[C@H](Cc1cccc(Cl)c1)c1nnc(-c2ccc(C#N)cc2)o1 1261427428 YGQSXCOAOFRXTH-GFCCVEGCSA-N 323.783 4.608 30 20 DJED CC(C)COc1cccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)c1 1265618795 YNJRQJYMVVEXTN-OAHLLOKOSA-N 323.392 4.511 30 20 DJED Cc1cccc([C@@H]2CCCN2c2nc(C#N)c(Cl)s2)c1C 1306976532 YPDCCKUVCTUNCD-AWEZNQCLSA-N 317.845 4.627 30 20 DJED N#Cc1c(F)cccc1SCc1ncc(-c2cccs2)o1 1307351179 OLPBRXWWJICNDU-UHFFFAOYSA-N 316.382 4.706 30 20 DJED Cc1cccc([C@@H](NCc2ccc(F)cc2C#N)C(C)(C)C)c1 1459851741 OLILTXHWGYLOLA-LJQANCHMSA-N 310.416 4.883 30 20 DJED Cc1c([C@@H](C)Nc2ncc(C#N)cc2F)sc2ccccc12 1472751922 AESAXHCTZQDPGY-LLVKDONJSA-N 311.385 4.789 30 20 DJED C[C@H](CN(C)Cc1ccc(Cl)cc1C#N)C1CCCCC1 1473706106 JCXFJYFHTCZGJY-CQSZACIVSA-N 304.865 4.860 30 20 DJED CC(C)(CCCc1ccccc1)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 1525048126 AATSTVCQXHDSTN-QZTJIDSGSA-N 313.441 4.661 30 20 DJED C=C(CNC(=O)C[C@H](CC)c1ccc(C)cc1)c1ccccc1 1527972332 FWCHCSVKDJAJOT-SFHVURJKSA-N 307.437 4.708 30 20 DJED N#Cc1ccc(N(C(=O)C2C[C@H]3CCC[C@H](C2)C3)C2CCC2)cc1 1540127497 IXBTZYCKWIXPQW-IRXDYDNUSA-N 322.452 4.660 30 20 DJED Cc1cccc(CSCc2ccc(C#N)cc2OC(F)F)c1 1559413252 YXZBEACAYWYLNR-UHFFFAOYSA-N 319.376 4.902 30 20 DJED CC[C@@H](OC(=O)c1csc(C#N)c1)c1ccc(Cl)cc1F 1584319639 QAZATOAZJJUDSL-CQSZACIVSA-N 323.776 4.720 30 20 DJED N#CC1(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CCCC1 1597922017 MBLLFGOZRPNYQN-UHFFFAOYSA-N 324.355 4.640 30 20 DJED Cc1ccc2sc(N(CCC#N)CCC(C)C)nc2c1C 1612171546 YSIHGFOTAKUGES-UHFFFAOYSA-N 301.459 4.679 30 20 DJED Cc1ccccc1C1(CNc2ncc(C#N)cc2F)CCCCC1 1639399899 ZADZYJXJLCBTPZ-UHFFFAOYSA-N 323.415 4.715 30 20 DJED CC(=O)[C@](C#N)(CCSc1ccc(C)cc1C)c1ccccc1 1656065313 QICUQAPVHSTUAA-HXUWFJFHSA-N 323.461 4.836 30 20 DJED COc1cc(C(=O)O)ccc1NN=CC[C@@H](C)CCC=C(C)C 1776049720 VNSRBWQFUOSGPG-AWEZNQCLSA-N 318.417 4.564 30 20 DJED CC(C)c1ccc(C(=O)/C=C\c2ccc(/C=C\C(=O)O)cc2)cc1 1776370496 PNRSHZVFDQEXNW-PVRNWPCDSA-N 320.388 4.804 30 20 DJED C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(C#N)cc1 45029855 KQCSEVSTGKEOFE-CYBMUJFWSA-N 319.364 4.529 30 20 DJED N#CCC[C@@H](NCc1cc(Cl)ccc1F)c1ccccc1 119847770 OQNGAQSRPUIRDW-QGZVFWFLSA-N 302.780 4.614 30 20 DJED CC(C)(C)[C@H](NCc1ccc(C#N)s1)c1ccc(F)cc1F 150869553 ZEWIEVAKPJMJLX-MRXNPFEDSA-N 320.408 4.775 30 20 DJED CCN(CC#N)[C@@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1 298035992 GERKKATXZGJZJS-JTQLQIEISA-N 324.211 4.555 30 20 DJED C[C@H](S[C@H]1CCCc2ccccc21)/C(O)=N/C1(C#N)CCC1 329869415 YUINDBOTSMCUTR-BBRMVZONSA-N 314.454 4.588 30 20 DJED C[C@H](/N=C(/O)CC[C@H]1CCCCO1)c1ccc2ncsc2c1 330119587 FYPTZQFGOXRIGO-GXTWGEPZSA-N 318.442 4.663 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCc1ccc(CC#N)cc1 342428342 GONHWGSSHIZHDG-HNNXBMFYSA-N 321.449 4.759 30 20 DJED N#CC[C@@H](CC(=O)N(CC1CC1)c1ccccc1)c1ccccc1 356331574 MQKYFLPEOCHMNO-IBGZPJMESA-N 318.420 4.517 30 20 DJED CCSc1ccc(Cl)cc1C(=O)NCC(C)(C)CCC#N 359758359 QEGFHCNMAZIDGX-UHFFFAOYSA-N 324.877 4.512 30 20 DJED C=CCCCn1ccc(=O)c2cc(Oc3ccccc3)ccc21 429312541 OVVRFNFIGKOYGU-UHFFFAOYSA-N 305.377 4.760 30 20 DJED Cc1nc(SCCCCC(C)(C)C#N)n(CC(C)C)c1C 436142698 RKAWJSLJCXYVCO-UHFFFAOYSA-N 307.507 4.968 30 20 DJED Cc1cc2cc(C(=O)Nc3ccc(Cl)c(C#N)c3)oc2cc1C 440939492 DKECVRDTROVYRT-UHFFFAOYSA-N 324.767 4.827 30 20 DJED N#Cc1nc(Oc2ccc(Cl)cc2F)ccc1C(F)(F)F 443413440 ZOEROEVWUBXYIC-UHFFFAOYSA-N 316.641 4.557 30 20 DJED C=C[C@@H]1CCCCN1C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 456032333 TYUDUZUJYFDJEK-IUODEOHRSA-N 311.347 4.533 30 20 DJED CCCC[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)C1CCC1 476305384 OFRBSOZZOABNEC-RBUKOAKNSA-N 312.457 4.549 30 20 DJED Cc1oc(-c2ccccc2)nc1COc1cc(Cl)cc(C#N)c1 487389442 NPLSVVGMWSUFHH-UHFFFAOYSA-N 324.767 4.754 30 20 DJED C=CCCCC(=O)Nc1cccc(COC(C)(C)CC)c1C 488811617 CEYPUIFXAOQZAI-UHFFFAOYSA-N 303.446 4.995 30 20 DJED N#Cc1c(F)cccc1Sc1ncc(-c2ccc(F)cc2)o1 506838297 IJSVJTLXXUNDNF-UHFFFAOYSA-N 314.316 4.643 30 20 DJED CCCN(Cc1cc(C#N)cs1)[C@@H](C)c1ccccc1OC 508632991 QYOBCZYHXVBIEW-AWEZNQCLSA-N 314.454 4.602 30 20 DJED CC[C@H](C)Oc1ccc(Nc2ncc(C#N)cc2Cl)cc1 513602170 DDIFSMJBORUOHF-NSHDSACASA-N 301.777 4.528 30 20 DJED C[C@H](N[C@@H](C)c1ccc2ccccc2n1)c1ccc(C#N)cc1 531951318 BADPQEJXTJSYAP-GJZGRUSLSA-N 301.393 4.518 30 20 DJED N#CCc1ccc(CNc2ccccc2CCC(F)(F)F)cc1 543150809 FWAMGGHRWZNBKW-UHFFFAOYSA-N 318.342 4.860 30 20 DJED CCC(C)(C)c1ccc(C[S@](=O)CCC(C)(C)C#N)cc1 551924036 BTCAIUPOLUATIK-OAQYLSRUSA-N 305.487 4.563 30 20 DJED C[C@H](NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(C#N)cc1 553759220 HJZFDJNZHGYQGH-BJJXKVORSA-N 310.363 4.578 30 20 DJED C=CCCO[C@H](C)c1nc([C@@H](c2ccccc2C)C(C)C)no1 554848493 ZNYZFXZCFUUBKT-NVXWUHKLSA-N 314.429 4.820 30 20 DJED C=CCC[C@@H](CC)NC1CCC(Oc2ccccc2C#N)CC1 565766408 HJCCPRBIHJXZFU-LMDPOFIKSA-N 312.457 4.583 30 20 DJED CC(C)CC[C@H](NC(=O)Nc1ccc(CC#N)cc1)C(C)(C)C 609683404 TWTZYNOSRAGKHU-KRWDZBQOSA-N 315.461 4.725 30 20 DJED C[C@H](Sc1nccn1Cc1ccccc1)c1ccc(C#N)cc1 609813853 ZMFLERLWDXPWFP-HNNXBMFYSA-N 319.433 4.656 30 20 DJED Cc1ccccc1[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)C1CC1 611392690 DPZJEPDAHSYAAV-FGZHOGPDSA-N 316.448 4.985 30 20 DJED Cc1cc(C#N)ccc1CSCc1nc2ccccc2nc1C 614395305 VUYRYAKPVBXMML-UHFFFAOYSA-N 319.433 4.552 30 20 DJED CSCc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 615095109 RYQHCBKIEFZQEG-FQEVSTJZSA-N 322.477 4.588 30 20 DJED C=CCCC(C)(C)NC(=O)C[C@@H](c1ccccc1)C(F)(F)F 620861759 YKWRYXWULGRHJL-AWEZNQCLSA-N 313.363 4.584 30 20 DJED C=CCCC(=O)O[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 726650384 NYYSVPZHFGOOTN-HNNXBMFYSA-N 323.392 4.509 30 20 DJED CC(=NNc1ccc(OC(F)F)cc1)c1ccc(F)cc1C 731314100 ZZUPSOMSQKXKPI-UHFFFAOYSA-N 308.303 4.572 30 20 DJED C=CCOc1ccc(OC(=O)CCc2cc(Cl)cs2)cc1 742862245 XRAVILZHZAMTAK-UHFFFAOYSA-N 322.813 4.505 30 20 DJED CCCCCCCc1nc([C@H](OCC)c2ccccc2)no1 771730892 SFZVPRMFNFLPGK-QGZVFWFLSA-N 302.418 4.708 30 20 DJED COc1ccc(/C=C/C(=O)c2cccc(F)c2F)c(Cl)c1 776268905 WCBQTDWFSSKHRB-SOFGYWHQSA-N 308.711 4.523 30 20 DJED C#CCCCCCC(=O)OCc1c(Cl)ccc2cccnc12 780255691 WEOZRQYJHDUGTG-UHFFFAOYSA-N 315.800 4.515 30 20 DJED C[C@H](Nc1cccc(OCC#N)c1)[C@@H](C)c1ccc(Cl)cc1 793060361 ASRJHASUZJSAEM-KGLIPLIRSA-N 314.816 4.846 30 20 DJED C#Cc1ccc(CNc2ccc(COC3CCCC3)cc2)cc1 809596833 DDYDGLDJNGKIGH-UHFFFAOYSA-N 305.421 4.739 30 20 DJED CC(=NNc1ccnc2cc(Cl)ccc12)c1ccccc1C#N 814693714 DZKKFUXATZRMCQ-UHFFFAOYSA-N 320.783 4.596 30 20 DJED CC(C)O[C@H](C=NNc1ccc(F)c(F)c1F)c1ccccc1 814945338 VWGLSPMUXKINDE-OAHLLOKOSA-N 322.330 4.668 30 20 DJED CCCOc1ccc(/C=C\C(=O)c2ccccc2C)cc1OC 916155958 RWRQUYBGMPBQGQ-LUAWRHEFSA-N 310.393 4.689 30 20 DJED CC(=NNc1nc(-c2ccccc2)cs1)c1ccccc1F 916545193 AFUGAXAXHOKJHK-UHFFFAOYSA-N 311.385 4.785 30 20 DJED CC[C@H](C)c1ccc(C(=O)OCc2cc(C#N)ccc2F)cc1 1126764078 NKWNCQQBGPIZGR-ZDUSSCGKSA-N 311.356 4.568 30 20 DJED Cc1ccc(CCSc2nc(C(F)(F)F)ccc2C#N)cc1 1189166127 LBANUPGNFPQOHC-UHFFFAOYSA-N 322.355 4.615 30 20 DJED N#Cc1ccc(CN[C@@H](C2CCCCC2)C2CCC2)c(F)c1 1202938747 KTDAVCBOYJIOON-IBGZPJMESA-N 300.421 4.536 30 20 DJED C[C@@H]1c2c(sc(NC(=O)C[C@@H](C)C3CC3)c2C#N)CC[C@H]1C 1274492178 KIBXFMXPNMQXMY-UTUOFQBUSA-N 316.470 4.680 30 20 DJED CC(C)N(C(=O)CC#Cc1ccccc1)c1ccc(Cl)cc1 1323872184 JVTJQTVQWCHBBY-UHFFFAOYSA-N 311.812 4.523 30 20 DJED C[C@H]1C[C@H](c2ccccc2)C[C@H](NC(=O)C2(C#N)CCCCC2)C1 1436711868 JQDZUEGLYTTYCI-YTQUADARSA-N 324.468 4.549 30 20 DJED C[C@@H]1CC[C@H](C(=O)Nc2cc(C(C)(C)C)sc2C#N)C[C@H]1C 1458455801 REQGCZCRCUJNLS-UPJWGTAASA-N 318.486 4.928 30 20 DJED Cc1cc(CN2CC=C(c3ccc(C#N)cc3)CC2)ccc1Cl 1474358735 UEXYTAWIVASHPF-UHFFFAOYSA-N 322.839 4.809 30 20 DJED Cc1cc(Cl)ccc1C(=O)N(c1cccc(C#N)c1)C1CCC1 1532440795 XVKBJECSZAOWKD-UHFFFAOYSA-N 324.811 4.719 30 20 DJED C[C@H]1CCc2sc(NC(=O)c3ccccc3)c(C#N)c2[C@@H]1C 1584026361 WBHBHNNSHCPZCD-NWDGAFQWSA-N 310.422 4.558 30 20 DJED Cc1cc(C#N)cc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c1 1597280472 CLCYMALQXMWJTM-INIZCTEOSA-N 320.436 4.807 30 20 DJED CC[C@H](C#N)C(=O)N[C@@H](c1ccc([C@H](C)CC)cc1)C(C)C 1629402279 ZVSKLVJTTFTPJR-IIDMSEBBSA-N 300.446 4.563 30 20 DJED CC[C@H](C#N)C(=O)Nc1cccc(Oc2ccc(C)cc2C)c1 1632431240 UTLPGEGMNUJWMK-OAHLLOKOSA-N 308.381 4.584 30 20 DJED Cc1ccccc1CN(C)c1c(C#N)cnc2c(Cl)cccc12 1642005981 JLDHEMPRJOLJEF-UHFFFAOYSA-N 321.811 4.705 30 20 DJED CCC1(CC)CN(CCc2ccc(C#N)cc2)c2ccccc21 1644991374 HWSNRRMLPINSER-UHFFFAOYSA-N 304.437 4.679 30 20 DJED Cc1c(Cl)cnc(N[C@H](C)c2ccc(Cl)c(F)c2)c1C#N 1651654792 PEEMDGUKSJQHKD-SECBINFHSA-N 324.186 4.881 30 20 DJED CC(C)(C)c1ccc(C#N)c(NC[C@H]2CCCCC(F)(F)C2)n1 1651897752 RDIVDINJDGWUGH-ZDUSSCGKSA-N 321.415 4.878 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C 1669600399 IFFBNCBZBHXITI-HOTGVXAUSA-N 313.445 4.593 30 20 DJED CCc1ccc(C(CC(C)C)=NNc2cccc(C(=O)O)c2)cc1 1776037655 SVMHXKHGYYFWIW-UHFFFAOYSA-N 324.424 4.810 30 20 DJED C=CCC[C@H]1CCCN1Cc1cc2sc(C(=O)O)cc2s1 1776170776 QRXXFQDVMOCEST-NSHDSACASA-N 321.467 4.592 30 20 DJED C[C@H](NCc1cccc(Cl)c1Cl)c1ccc(C#N)cc1 35256383 GGDAZAZSTXINHQ-NSHDSACASA-N 305.208 4.716 30 20 DJED C=CCc1ccc(OCc2csc(C(C)C)n2)c(OC)c1 60804604 GGFBVSOLRGOCSC-UHFFFAOYSA-N 303.427 4.583 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCC(C)(C)C 66955866 MQSZCFBJFLTDGM-ZDUSSCGKSA-N 319.474 4.639 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1 83204474 OAITYHLLGJHGIF-UKTHLTGXSA-N 318.372 4.753 30 20 DJED Cc1ccoc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 104416995 PNCFPDVANDDWRD-UHFFFAOYSA-N 318.332 4.504 30 20 DJED C[C@H](C#N)CSc1ccccc1N[C@H](C#N)C1CCCCC1 115606244 DGOLDPGAWFQULW-RHSMWYFYSA-N 313.470 4.823 30 20 DJED N#Cc1ccc(CSCc2csc(-c3ccccn3)n2)cc1 126952120 LNXLYRJBLSACGD-UHFFFAOYSA-N 323.446 4.510 30 20 DJED Cc1ccc(-c2nnc([C@@H](C)Sc3ccccc3C#N)o2)cc1 172680394 MHWQRYUZRSTGCQ-CYBMUJFWSA-N 321.405 4.770 30 20 DJED C=CCCC[C@H](C)NC(=O)C[C@H](c1ccccc1)C(F)(F)F 182632047 ZCNFHHPCPONIGF-DZGCQCFKSA-N 313.363 4.584 30 20 DJED C[C@@H](Nc1ccc(CC#N)cc1)c1ccc(OC(F)(F)F)cc1 192790544 ULTAVHJZKKMSHS-GFCCVEGCSA-N 320.314 4.824 30 20 DJED Cc1ccc(/C=C\C(=O)c2ccc(Cl)s2)cc1[N+](=O)[O-] 209085372 PKEBLQIDPNGDLD-PLNGDYQASA-N 307.758 4.514 30 20 DJED C[C@H]1CC[C@H](NC(=O)c2ccccc2-c2ccccc2C#N)CC1 250911729 VGPLNGVXZPQUAP-JCNLHEQBSA-N 318.420 4.534 30 20 DJED CC(C)(CCC#N)CNCc1cccc(OCc2ccccc2)c1 310123322 VRUUJOJPROHKRE-UHFFFAOYSA-N 322.452 4.685 30 20 DJED OC1=NCc2c(N=C(O)[C@@H]3CC[C@@H]4CCCC[C@H]4C3)cccc21 329298312 UGEYDBKRQQNPNX-MELADBBJSA-N 312.413 4.699 30 20 DJED C=C(C)C(C)(C)C(=O)N1CCC(c2c(C)[nH]c3ccccc23)CC1 424592554 JFUWUSWPHLQAGQ-UHFFFAOYSA-N 324.468 4.785 30 20 DJED N#Cc1c(F)ccc(CNc2nccc3sccc23)c1Cl 432410302 NMVSYENMNKELPR-UHFFFAOYSA-N 317.776 4.573 30 20 DJED N#C[C@@H]1CC[C@H](N[C@H](c2cccc(Cl)c2)C2CCCC2)C1 442836296 ZRFRRKGXLGFFME-BVGQSLNGSA-N 302.849 4.853 30 20 DJED C[C@H](C(=O)Nc1cccc2ccsc12)c1cccc(C#N)c1 462231152 JQIUMFATWVQDEL-LBPRGKRZSA-N 306.390 4.515 30 20 DJED CC(C)(C)[C@@H](C#N)NC(=O)c1ccccc1Sc1ccccc1 464714857 VZRPLGYMICOEMF-QGZVFWFLSA-N 324.449 4.506 30 20 DJED Cc1cc2c(cc1C)[C@@H](NCCc1cccc(C#N)c1)CCS2 467454409 PHWMOLHDSRMEPN-IBGZPJMESA-N 322.477 4.544 30 20 DJED C=C(C)[C@H](NC(=O)[C@@H](C)c1ccccc1)c1ccc(F)c(F)c1 475670872 IICJWHVNKXAAGA-UGSOOPFHSA-N 315.363 4.502 30 20 DJED N#Cc1ccc(/C=C\c2ccc(Br)c(Cl)c2)nc1 491940408 XNJKBLNJITYPRL-RJRFIUFISA-N 319.589 4.540 30 20 DJED CC(C)CN(C(=O)c1ccc(C(C)C)cc1)c1ccc(C#N)cc1 499316690 NWYPCJITUIPMAF-UHFFFAOYSA-N 320.436 4.984 30 20 DJED C=CCOc1ccccc1CN[C@H]1CCc2cc(Cl)ccc21 506234382 PUMHIDAHXOWBFL-SFHVURJKSA-N 313.828 4.682 30 20 DJED Cc1sc(NC(=O)C[C@@H](C)C2CCCCC2)c(C#N)c1C 508916612 HPDIPKRBOFFWOW-LLVKDONJSA-N 304.459 4.782 30 20 DJED C=CCC(C)(C)C(=O)N1CC=C(c2cccc(Cl)c2)CC1 510469276 LXNRAQKVGMZTBT-UHFFFAOYSA-N 303.833 4.558 30 20 DJED CCc1cc(C#N)c(NC(=O)[C@@H](C)CC2CCCCC2)s1 510505405 XNBUWQKCJXROAF-LBPRGKRZSA-N 304.459 4.727 30 20 DJED N#Cc1cnc(N2CCC[C@@H]2c2ccc(Cl)cc2)c(Cl)c1 513635866 SEZVYQSCBHUZCP-OAHLLOKOSA-N 318.207 4.602 30 20 DJED Cc1cccc([C@H](NCc2ccc(C#N)cc2F)C(C)(C)C)c1 532570111 SXEWOJYZYZMWHI-IBGZPJMESA-N 310.416 4.883 30 20 DJED CC(C)[C@@H](NCc1cc(C#N)ccc1F)c1ccccc1Cl 540385358 ARIFQYUGVQPDHJ-GOSISDBHSA-N 316.807 4.838 30 20 DJED C[C@H]1C[C@@H]1c1noc(-c2cccc(Oc3ccc(C#N)cc3)c2)n1 547187841 WCLCPDILUSMHRY-SJCJKPOMSA-N 317.348 4.524 30 20 DJED CCn1c2ccccc2c2cc(NC[C@@H](C#N)CCC#N)ccc21 554546257 GJCRUAYYYQCDQZ-OAHLLOKOSA-N 316.408 4.670 30 20 DJED Cc1ccc2ccccc2c1CNC1(c2cccc(C#N)c2)CC1 560173869 FXTSBFPTUMJWHD-UHFFFAOYSA-N 312.416 4.799 30 20 DJED CCc1cc(C#N)c(NC(=O)[C@H](C)c2cccc(Cl)c2)s1 567157729 UQZQDPQWMNYWQB-SNVBAGLBSA-N 318.829 4.578 30 20 DJED C[C@@H](NC(=O)CCCCCC#N)c1ccc(F)c2ccccc12 588771276 QTCSGFQAIRMAHQ-CQSZACIVSA-N 312.388 4.630 30 20 DJED C[C@@H](CC(=O)N(Cc1ccc(C#N)cc1)C1CC1)CC(C)(C)C 603871637 VOINVJOSAMPOAC-HNNXBMFYSA-N 312.457 4.512 30 20 DJED CC(C)Oc1ccccc1CSCc1cc(C#N)ccc1F 609238083 RPQYOYLKGRRUBP-UHFFFAOYSA-N 315.413 4.918 30 20 DJED Cc1nc(-c2ccc(OCc3ccc(C#N)cc3)cc2)cs1 609311580 JCWVXDDWAHKXHF-UHFFFAOYSA-N 306.390 4.569 30 20 DJED CC[C@H](C)CCCCC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 612052366 WRNWYMLTWGUUFV-KRWDZBQOSA-N 324.468 4.780 30 20 DJED CC[C@@H](NCc1ccc(OC(C)(C)C)cc1)c1ccc(C#N)cc1 618572989 GHRMDACFEPMHQE-HXUWFJFHSA-N 322.452 4.976 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCCc2c(Cl)cccc21 618806167 OUEGJEOLNIYEJM-UXHICEINSA-N 322.839 4.866 30 20 DJED Cc1cc(C#N)ccc1COc1cccc(-c2nccs2)c1 619179778 UJKZGKREPVCOKG-UHFFFAOYSA-N 306.390 4.569 30 20 DJED C=C[C@@](C)(CC)C(=O)N(C)Cc1ccc(Cl)cc1Cl 682366893 ADQKTTNNPUGCNP-HNNXBMFYSA-N 300.229 4.554 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)Nc1cccc(OCC#N)c1 733919854 DCYSFOFTJCWZAA-INIZCTEOSA-N 314.429 4.524 30 20 DJED Cc1cccc(C(=O)/C=C/c2ccc(OC(F)F)cc2)c1C 734304905 AJPPKSQCDVZKNO-DHZHZOJOSA-N 302.320 4.801 30 20 DJED Cc1cccc([C@@H]2CCCN2Cc2ccc(OCC#N)cc2)c1C 741795596 ZPVNXQYTECFKGH-NRFANRHFSA-N 320.436 4.543 30 20 DJED Cc1cc(C(=O)/C=C\c2ccc(OCC(F)F)cc2)c(C)s1 741852531 NLJWWVSXDLCQLC-YVMONPNESA-N 322.376 4.905 30 20 DJED C=CCOc1cccc(CNc2ccc(OCC(F)F)cc2)c1 748238952 NBJVVDVGGUBGMC-UHFFFAOYSA-N 319.351 4.507 30 20 DJED O=C1/C(=C\c2ccc(O)cc2)CCSc2ccc(Cl)cc21 748440780 GHUUCOLFXICCKX-XFXZXTDPSA-N 316.809 4.808 30 20 DJED C[C@H]1CC(=NNc2ccc(Cl)nn2)C[C@@H](c2ccccc2)C1 749853667 SGUWTIHLCKJOPO-OCCSQVGLSA-N 314.820 4.502 30 20 DJED O=C(/C=C\c1cnc(-c2cccs2)s1)c1ccc(F)cc1 751511994 FEFYZEKDEKANCN-FPLPWBNLSA-N 315.394 4.907 30 20 DJED CC(=NNc1nc(C(F)(F)F)cs1)c1cc(C)sc1C 755905609 SLMJLDYODXCMQG-UHFFFAOYSA-N 319.377 4.676 30 20 DJED CC(=NOCC(F)(F)F)c1ccccc1OCc1ccccc1 764834523 DKZNYQNCUMPGAM-UHFFFAOYSA-N 323.314 4.569 30 20 DJED C=CCOc1ccccc1CN[C@@H](C)c1ccc(N(C)CC)cc1 765909829 XDENRHXXODIHIL-KRWDZBQOSA-N 324.468 4.558 30 20 DJED COC(=O)c1ccc(CSCCCCC(C)(C)C#N)c(F)c1 766821009 KYCKUWPSCGRWBV-UHFFFAOYSA-N 323.433 4.566 30 20 DJED Cc1ccccc1[C@@H]1CCCN1Cc1ccc(O[C@@H](C)C#N)cc1 768316224 AGWBRNPSJXRKDF-UWJYYQICSA-N 320.436 4.623 30 20 DJED C#CCCCCCC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 779812160 ZOCZBXKSTDFCMU-OAQYLSRUSA-N 323.411 4.615 30 20 DJED CCCCC[C@@H](NC(=O)c1cc(C#N)oc1C)c1ccccc1 797857392 STKBVXJNGKSTDR-GOSISDBHSA-N 310.397 4.511 30 20 DJED CCOc1ccc(/C=C\C(=O)c2cc(C)c(C)o2)cc1OCC 799897808 SIYRYTTWTQSVAI-CLFYSBASSA-N 314.381 4.590 30 20 DJED N#Cc1c(F)cccc1/C=C/C(=O)c1cccc(Cl)c1Cl 811691492 NOOAZKIJEYXMAM-BQYQJAHWSA-N 320.150 4.900 30 20 DJED Fc1cccc(Cl)c1NN=C1CC[C@@H]2CNc3cccc1c32 814905047 MCWKLEMBJVRNNZ-SNVBAGLBSA-N 315.779 4.598 30 20 DJED CC(=NNc1nccc2sccc12)c1ccccc1Cl 915979329 JAMRAOGQNUZXIX-UHFFFAOYSA-N 301.802 4.786 30 20 DJED CCCCCCCCC(=O)N1CCC(Nc2ccccc2)CC1 1251779030 KMRCBBUBTLCDEC-UHFFFAOYSA-N 316.489 4.840 30 20 DJED CCCCCCCCc1nnc(-c2ccc(OC)c(OC)c2)o1 1322346411 SGEFYHYXEHHPGP-UHFFFAOYSA-N 318.417 4.657 30 20 DJED CCCCC1CCC(NC(=O)c2ccc(Cl)c(C#N)c2)CC1 1355892292 BPSIMCINHIABMB-UHFFFAOYSA-N 318.848 4.690 30 20 DJED CCC[C@@H](CC1CCCC1)C(=O)Nc1ccc(F)c(C#N)c1 1361167869 GXXKRQOFKFYQDP-AWEZNQCLSA-N 302.393 4.632 30 20 DJED Cc1cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c(C)cc1Cl 1435362450 IYTREBWMIYTYCU-ZDUSSCGKSA-N 313.784 4.747 30 20 DJED Cc1cc(C(=O)CSc2ccc(C#N)cc2Cl)c(C)s1 1473006079 ZMLCHTGIGDZCHT-UHFFFAOYSA-N 321.854 4.865 30 20 DJED N#Cc1cccc(CSc2nc3cccc(F)c3s2)c1F 1473078368 USQXPPJUDDVDJS-UHFFFAOYSA-N 318.373 4.738 30 20 DJED CCC(C#N)(CC)C(=O)N(Cc1ccc(C)cc1C)CC(C)C 1526362124 BZLYCRVLWSBKIK-UHFFFAOYSA-N 314.473 4.618 30 20 DJED CCC[C@@H](CC)C(=O)N(Cc1ccco1)c1ccccc1C#N 1532912800 YWCGYGOTRLNSPQ-OAHLLOKOSA-N 310.397 4.511 30 20 DJED Cc1ccc(C)c([C@@H](C)OC(=O)[C@H](CC#N)c2ccccc2)c1 1537747607 VSWHNJUOAOXUFH-SJLPKXTDSA-N 307.393 4.605 30 20 DJED C[C@H](Sc1ccncc1C#N)c1cccc(C(F)(F)F)c1 1652078995 FJFCXEOVNCXBQP-JTQLQIEISA-N 308.328 4.825 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1CCc2cc(C(C)(C)C)ccc2C1 1657136364 ZPKSCWLAEWFARU-INIZCTEOSA-N 318.464 4.975 30 20 DJED CCCN(Cc1ccc(C)cc1)C(=O)Nc1cc(C)cc(C#N)c1 1670905707 MONMBMULIIEAFK-UHFFFAOYSA-N 321.424 4.619 30 20 DJED O=C(/C=C/c1ccc(C(=O)O)s1)c1ccc(-c2ccccc2)o1 1777569857 VXMWCGUSYQWFJJ-SOFGYWHQSA-N 324.357 4.602 30 20 DJED N#Cc1ccc(Oc2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1 18055627 HVNOSLMIYAPXGT-UHFFFAOYSA-N 309.108 4.566 30 20 DJED CC(C)Oc1ccc(CNc2cc(Cl)ccc2C#N)cc1 37277781 CKPLJDOEFFTIFZ-UHFFFAOYSA-N 300.789 4.611 30 20 DJED N#Cc1ccccc1CNc1cccc(C#Cc2cccs2)c1 44759111 PIZLMOJEEMSJLG-UHFFFAOYSA-N 314.413 4.632 30 20 DJED CCN(Cc1ccc(C#N)cc1)[C@@H](C)c1cc2ccccc2o1 64349241 QSOLWJJFIXTZFG-HNNXBMFYSA-N 304.393 4.888 30 20 DJED CCc1sc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc1C 80453547 ZQKYWZODCONTSG-NSHDSACASA-N 318.467 4.689 30 20 DJED N#Cc1csc(CNc2ccc(SC(F)(F)F)cc2)c1 93686487 KHKRZSLGGSTLNM-UHFFFAOYSA-N 314.357 4.844 30 20 DJED CCC(=CC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC 129214157 OKVGBRXBSZTKOS-ZDUSSCGKSA-N 302.443 4.623 30 20 DJED Cc1ccc(-c2ncco2)cc1N[C@H](C)c1ccc(C#N)cc1 133181425 AUDZGLXELNPWJK-CQSZACIVSA-N 303.365 4.695 30 20 DJED Cc1nc(C(C)C)sc1[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 154322876 FQSKIUSNQUOMJD-STQMWFEESA-N 313.470 4.858 30 20 DJED COc1ccc([C@@H](N[C@@H](C)c2cccc(C#N)c2)C(C)C)cc1 181420113 XTVZXTROAKJHQT-YWZLYKJASA-N 308.425 4.615 30 20 DJED O=C(/C=C/c1ccc(OCC(F)F)cc1)c1cccc(F)c1F 182725291 ZBIXRRVZPMMEON-RMKNXTFCSA-N 324.273 4.505 30 20 DJED Cc1c([C@@H](C)N[C@@H](CCC#N)c2ccccc2)cnn1C(C)(C)C 191388475 HNCIEXNRYGYMEN-BEFAXECRSA-N 324.472 4.642 30 20 DJED CC[C@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccc(C)cc1 192995815 OAURFSQDDDBGPI-UZLBHIALSA-N 308.425 4.699 30 20 DJED Cc1nc(-c2ccccc2)sc1C(=O)/C=C\c1c(C)noc1C 255057467 FJWHONASJCMKEE-KTKRTIGZSA-N 324.405 4.619 30 20 DJED O=C(/C=C\c1cccc2nccn12)c1cc(Cl)sc1Cl 255741293 NKOFDEYXQPAKHL-PLNGDYQASA-N 323.204 4.599 30 20 DJED Cc1nc(CCNc2ccccc2S[C@@H](C)CC#N)cs1 276863793 PRBOGWOZCAZKBB-LBPRGKRZSA-N 317.483 4.500 30 20 DJED C[C@@H](Nc1cc(Cl)ccc1-n1cccn1)c1cccc(C#N)c1 321325735 SBGCTLCOKMMMOQ-CYBMUJFWSA-N 322.799 4.570 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(Cl)cc1F 427851558 CWHUXNKECMKJEG-SFHVURJKSA-N 314.791 4.518 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1cc(-c2cccnc2)ccc1C 432801647 XLBQHZODAWRPJI-GOSISDBHSA-N 321.424 4.629 30 20 DJED Cc1ccc(-c2nc(CSc3ccccc3C#N)cs2)o1 439690580 GMTHBFYIKYAPHG-UHFFFAOYSA-N 312.419 4.876 30 20 DJED C=CCN(C)C(=O)Nc1ccc(Cl)cc1-c1ccccc1 443524536 VUXFHHMWRFLMKB-UHFFFAOYSA-N 300.789 4.657 30 20 DJED CC[C@H](Nc1cn(-c2ccccc2)nc1C)c1ccc(C#N)cc1 447600683 MYCVKYXYKHGBNK-IBGZPJMESA-N 316.408 4.616 30 20 DJED C=CCC1(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)CCCC1 449918157 HJNFDWLQFWHDOG-OAHLLOKOSA-N 324.424 4.655 30 20 DJED CCSc1ccccc1[C@@H](C)NCc1ccc(C#N)c(F)c1 453391978 TWHSUTALBGUDAK-CYBMUJFWSA-N 314.429 4.660 30 20 DJED Cc1ccc([C@H](N[C@@H]2CCC[C@@H](C#N)C2)c2ccccc2)cc1 463297323 KPPGTWVVZGTAAL-DUXKGJEZSA-N 304.437 4.756 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 471173859 UXUMOLNWHSBNEK-YESZJQIVSA-N 304.478 4.524 30 20 DJED CC[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccc(C)cc1 474189900 NKIRWEZPNBBQBF-LJQANCHMSA-N 320.436 4.677 30 20 DJED COc1ccc([C@@H](C)N(C)Cc2ccccc2C(C)(C)C#N)cc1 487376915 HPUMCVYJNDHZQA-MRXNPFEDSA-N 322.452 4.689 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCC[C@@H]1c1ccsc1 487383758 ZVSQVDJDFVZAIT-GOSISDBHSA-N 310.466 4.886 30 20 DJED C=CC[C@H](C(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1 487562476 QUJGQCRFJMFZBM-INIZCTEOSA-N 317.335 4.586 30 20 DJED Cc1nc(C)c(C#N)c(S[C@H](C)c2ccc(F)c(Cl)c2)n1 497669752 DYLSSYFEQWVSSH-SECBINFHSA-N 321.808 4.611 30 20 DJED CC(C)(C)CCCC(=O)Nc1sc2c(c1C#N)CCCC2 504480839 IIIQRFPZAWCIBU-UHFFFAOYSA-N 304.459 4.653 30 20 DJED C=C(C)CCc1noc([C@H]2C[C@@H]2c2ccccc2C(F)(F)F)n1 508614916 MFNUYYXKSSUJJP-OLZOCXBDSA-N 322.330 4.868 30 20 DJED CCN(C(=O)c1cccc(C#N)c1C)c1cccc2ccccc12 510495726 JJAROJGNNRRTNU-UHFFFAOYSA-N 314.388 4.687 30 20 DJED CC(C)CCN(CCC#N)Cc1csc(-c2cccs2)n1 513746429 WMXHNBXAMPOFAN-UHFFFAOYSA-N 319.499 4.633 30 20 DJED CC(C)Oc1ccc(C#N)cc1N[C@@H](C)c1ccc(F)cc1F 518014319 SZXKWLKJKFLGJC-LBPRGKRZSA-N 316.351 4.797 30 20 DJED CC[C@H](C)Oc1cc(C)ccc1CN[C@@H](C)c1cccc(C#N)c1 537295964 PNHCKCJYGSHTDF-IRXDYDNUSA-N 322.452 4.895 30 20 DJED C[C@@H](NC1CCC(c2ccc(O)cc2)CC1)c1ccc(C#N)cc1 539497887 IQZJICQOXPWXEC-MYWSLZCHSA-N 320.436 4.641 30 20 DJED N#CCc1ccc(CNc2ccc(Oc3ccccn3)cc2)cc1 541307214 WKTHABVJOPXCOW-UHFFFAOYSA-N 315.376 4.552 30 20 DJED CCC[C@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542932254 QZVRELMJQLXEAL-HOTGVXAUSA-N 320.436 4.839 30 20 DJED C=CC[C@@H](C(=O)NC[C@H]1CCCCC(F)(F)C1)c1ccccc1 557322346 LRIGHSVBBKBORH-DOTOQJQBSA-N 321.411 4.678 30 20 DJED C=CCC[C@H](NCc1c(C)cc(C)nc1OC)c1ccccc1 558091346 BJGVKYKMEJEWDM-IBGZPJMESA-N 310.441 4.504 30 20 DJED CC[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1cccc(Cl)c1 570131448 MYNVUHPNESLLRF-OALUTQOASA-N 310.828 4.940 30 20 DJED N#CCC[C@@H](NCc1cccc(OC2CC2)c1F)c1ccccc1 594958312 PJCOISJBJLKSAT-GOSISDBHSA-N 324.399 4.502 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cscc1Cl 611276716 XZRYPSIVIKHJJM-NVXWUHKLSA-N 316.857 4.673 30 20 DJED Cc1cc(C)c(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)s1 633988185 KEHRFVDZEAQYRH-LLVKDONJSA-N 318.467 4.609 30 20 DJED C=C(C)CCc1noc([C@H](C)c2ccccc2C(F)(F)F)n1 671670967 APXFRDIKZIUASV-LLVKDONJSA-N 310.319 4.749 30 20 DJED C#Cc1cccc(NC(=S)N(C)[C@@H](C)c2ccc(C)cc2C)c1 726473848 VNFLMJQVCCFDAI-INIZCTEOSA-N 322.477 4.675 30 20 DJED C#Cc1cccc(NC(=O)N[C@@H](C)c2ccc(SCC)cc2)c1 729033487 LJFDULUBJHVHLH-AWEZNQCLSA-N 324.449 4.663 30 20 DJED O=C(/C=C/c1cc(C(F)(F)F)ccc1F)c1cccs1 733205390 UGVJMYCBYPKMTM-ZZXKWVIFSA-N 300.276 4.802 30 20 DJED Cc1cc(C(=O)/C=C\c2cc(Cl)ccc2[N+](=O)[O-])c(C)s1 739425332 OHHIEPBJYXMKDA-UTCJRWHESA-N 321.785 4.823 30 20 DJED Fc1ccc(NN=C2CCC[C@H]2c2ccc(Cl)cc2)nc1 741464026 KSKPONYOTYVEDU-AWEZNQCLSA-N 303.768 4.610 30 20 DJED O=C(/C=C\c1ccc(OCC(F)F)cc1)c1ccccc1Cl 741840223 LDAVQUKGYSQZSS-YFHOEESVSA-N 322.738 4.880 30 20 DJED C=C(Cl)CNC(=O)Nc1cccc(Cl)c1SC(C)C 743184014 ITUFATLQKQWCCQ-UHFFFAOYSA-N 319.257 4.715 30 20 DJED CC(=NNc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1 747060464 RTZNDCJYWIDIMO-UHFFFAOYSA-N 305.337 4.584 30 20 DJED CN(C(=O)c1ccc(Cl)c(C#N)c1)c1ccc2ccccc2c1 754026854 VAJWSHRRBVOAJJ-UHFFFAOYSA-N 320.779 4.641 30 20 DJED CCCC(=CC(=O)N(Cc1ccc(C#N)cc1)C1CC1)CCC 770630916 FZCWWHFXWVTZPT-UHFFFAOYSA-N 310.441 4.576 30 20 DJED CC(=NNc1nccnc1C(C)C)C12CC3CC(CC(C3)C1)C2 773090372 GBVZDCNKUQGLCC-UHFFFAOYSA-N 312.461 4.604 30 20 DJED N#CCOc1ccc(CNC2CCC3(CCCCC3)CC2)cc1 786147549 MWFJROZXMWRKLQ-UHFFFAOYSA-N 312.457 4.572 30 20 DJED CCCCCCCCCCC(=O)N1CCC[C@@](C)(OC)CC1 794184228 MFDGCLCXCULHKK-LJQANCHMSA-N 311.510 4.935 30 20 DJED CC(C)[C@H](C=NNc1ncnc2sccc12)c1ccccc1 794479580 YFNXTYPICAZLSO-HNNXBMFYSA-N 310.426 4.529 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)[C@@H](F)CC2CCCCC2)n1 796741978 AZNDUPMXNHJSHA-KGLIPLIRSA-N 322.449 4.751 30 20 DJED C=CCCCCCCCCNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C 807843384 IOBDSSJWOZKNOU-SJORKVTESA-N 321.505 4.661 30 20 DJED C[C@@H](SCc1cc(Cl)ccc1OCC#N)c1cccnc1 808359600 DIKDIZFOVLYYQC-GFCCVEGCSA-N 318.829 4.632 30 20 DJED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)C3CCC3)n2)cc1 838789744 WSSUKBZZWWSFAH-BBRMVZONSA-N 324.449 4.731 30 20 DJED CCCOc1ccc(N[C@H](C)c2cccc(C#N)c2)cc1OC 858604393 JOVYNQLIUWIKKN-CQSZACIVSA-N 310.397 4.529 30 20 DJED CC[C@@H](C)c1ccc(C(=O)/C=C\c2cn(C)nc2C(F)F)cc1 863196968 BSXUQABDHYFGBZ-ZWLSGLHFSA-N 318.367 4.767 30 20 DJED Cc1cc(-c2ccccc2)ccc1NC(=O)c1ccc(C#N)cc1 914732241 BIYRLVRCMLQOGU-UHFFFAOYSA-N 312.372 4.786 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1ccc(CCC)cc1 915317935 DGKPZLGXDBQYOU-UHFFFAOYSA-N 314.454 4.921 30 20 DJED C=CCCO[C@@H](C)C(=O)Oc1cc(C)c(Cl)cc1C(C)C 921149058 LURIYYXZJYUFOH-ZDUSSCGKSA-N 310.821 4.658 30 20 DJED Cc1ccc(OC(F)F)c(COc2cc(Cl)cc(C#N)c2)c1 1166279478 OZDGLSYCYUAXFQ-UHFFFAOYSA-N 323.726 4.701 30 20 DJED CC(C)[C@H](NCc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F 1178524738 NHDNTTXCANLCMR-NSHDSACASA-N 317.248 4.521 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1C/C=C\c1ccc(F)cc1 1179961849 IOWFWUGATUQNBZ-MLCNVYOSSA-N 320.411 4.611 30 20 DJED Cc1cc(C#N)ccc1CN1C[C@H](c2ccccc2C)C[C@@H]1C 1307488594 GIZYEUMTUNZRLD-FXAWDEMLSA-N 304.437 4.553 30 20 DJED CCCCCCCC(=O)OCc1csc(C(F)(F)F)n1 1343936966 DBGBRKXLLWMEBI-UHFFFAOYSA-N 309.353 4.566 30 20 DJED CC[C@H](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@@H](C)CC2 1524032186 ZVTGMSAOAZUUEE-RVMXOQNASA-N 318.486 4.926 30 20 DJED CC[C@@H]1CCC[C@@H]1C(=O)Nc1scc(C(C)(C)C)c1C#N 1544839985 NXMHOGRMJZNDPJ-NEPJUHHUSA-N 304.459 4.682 30 20 DJED Cc1ccc([C@H]2[C@H](C)CCCN2Cc2cccc(C#N)c2)cc1 1559559463 RWGAEBLDRWOKAV-DYESRHJHSA-N 304.437 4.840 30 20 DJED CCc1ccc([C@@H](NC(=O)Nc2ccc(C#N)cc2)C(C)C)cc1 1562052554 VAJVZMIGECWSJW-IBGZPJMESA-N 321.424 4.639 30 20 DJED C[C@H]1CCc2sc(NC(=O)CCC3(C)CC3)c(C#N)c2[C@@H]1C 1595892376 QGDXMQQNWAXFHZ-NWDGAFQWSA-N 316.470 4.824 30 20 DJED Cc1nc(N2CC[C@H](C)C3(CCCCC3)C2)c(Cl)cc1C#N 1639817139 UQXFKCZZSIPYCT-ZDUSSCGKSA-N 317.864 4.712 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCC[C@H]1c1cccc(F)c1 1644364105 MTGBQCUZUSLWCH-FQEVSTJZSA-N 322.427 4.964 30 20 DJED C=C(Br)CN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C 1657956611 DHHYMEGADPBZOM-QCZZGDTMSA-N 314.654 4.535 30 20 DJED C[C@]1(c2ccccc2)CC[C@@H](NC2(c3cccc(C#N)c3)CC2)C1 1658081167 GICRMNXHEFCWIM-RTWAWAEBSA-N 316.448 4.647 30 20 DJED N#Cc1cccc(NC(=O)c2sccc2-c2ccccc2)c1 11370577 KQZRXSJBASXZPC-UHFFFAOYSA-N 304.374 4.539 30 20 DJED N#Cc1cccc(/C=C/c2nc(-c3ccc(F)cc3)cs2)c1 14177700 USIRPQYTPUKWCK-RUDMXATFSA-N 306.365 4.991 30 20 DJED Cc1c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)oc2ccccc12 26763342 MZKLTCRPQMOALU-MDZDMXLPSA-N 307.305 4.546 30 20 DJED C=CCN(CCc1ccccc1)C(=O)Nc1c(C)cccc1C 62374822 HGABUIXMGPXCGQ-UHFFFAOYSA-N 308.425 4.566 30 20 DJED N#Cc1ccccc1-c1ccc(COc2cccnc2Cl)cc1 78791258 KFSHBQZMPLKWNT-UHFFFAOYSA-N 320.779 4.853 30 20 DJED Cc1c([C@@H](C)NCc2cc(C#N)ccc2F)oc2ccccc12 90117539 PJHHZCDRBVJTRW-CYBMUJFWSA-N 308.356 4.603 30 20 DJED CC(C)Oc1ccc(CNc2cccc(OCCCC#N)c2)cc1 119749808 GOHGXAASSVLIPZ-UHFFFAOYSA-N 324.424 4.768 30 20 DJED COc1ccc(CNc2cc(C)ccc2C)cc1OCCCC#N 157672196 ZYXGVEIRWWFHNS-UHFFFAOYSA-N 324.424 4.607 30 20 DJED C#CCC(C)(C)C(=O)Nc1cccc(CSC(C)C)c1C 185904400 HKRDDVVHZJMWBU-UHFFFAOYSA-N 303.471 4.625 30 20 DJED CC[C@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1ccc(C#N)cc1 296586301 USYMPOSYZNZWAK-MDASCCDHSA-N 306.409 4.511 30 20 DJED C[C@H](Nc1ccc2cc(C#N)ccc2n1)c1ccc(F)cc1F 301828476 QIXAQUXSDMXKRW-NSHDSACASA-N 309.319 4.558 30 20 DJED C[C@H]1C(=O)CC[C@@H]1CC(O)=Nc1ncc(C2CCCCC2)s1 330035206 XBNHJFGFQJWLFU-DGCLKSJQSA-N 320.458 4.784 30 20 DJED N#CC1(CSCc2nc(-c3c(F)cccc3F)cs2)CC1 358666725 YAWIHQMQBPPZSR-UHFFFAOYSA-N 322.405 4.625 30 20 DJED N#CCC1(CN[C@@H]2CCCSc3ccc(Cl)cc32)CC1 430755180 POVDREITTNVQQN-CQSZACIVSA-N 306.862 4.550 30 20 DJED C=CCC[C@H](NC(=O)N1CCC[C@H]1C1CCC1)c1ccccc1 435101092 NHZJWUHYINRCSL-OALUTQOASA-N 312.457 4.668 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1oc2ccccc2c1CC 436296056 QWRAMFJYUOMREH-CLCXKQKWSA-N 313.441 4.627 30 20 DJED Cc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1OCC(F)F 442775870 BIFTVFZUIJOHTQ-ZDUSSCGKSA-N 316.351 4.684 30 20 DJED C=CCC[C@H](N[C@H]1CCC[C@@H](c2ccnn2C)C1)c1ccccc1 448021138 GXPBZSLIEGAHGG-AABGKKOBSA-N 323.484 4.743 30 20 DJED CC[C@H](C)Oc1cccc(NC(=O)Nc2cccc(CC#N)c2)c1 455910909 URRUBDPHWBFBFP-AWEZNQCLSA-N 323.396 4.574 30 20 DJED Cc1cc(C#N)cc(C)c1OCc1csc(C2CCCC2)n1 461548871 VJZKCKSPHWLQKW-UHFFFAOYSA-N 312.438 4.868 30 20 DJED C=CCCC1(C(=O)N(C)Cc2c(Cl)cccc2Cl)CC1 474692676 ORPLFUSCBWPYAU-UHFFFAOYSA-N 312.240 4.698 30 20 DJED C=C(C)CN(CC)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 499820739 DMPOZJLCAFMCGY-UONOGXRCSA-N 312.240 4.522 30 20 DJED N#Cc1cnccc1/C=C/c1ccc(Cl)c(Br)c1 504712515 QDNOQSWQFMQYKO-HNQUOIGGSA-N 319.589 4.540 30 20 DJED CCN(Cc1cc(F)c(F)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 508604498 NEQXXZYNXHLJRR-LBPRGKRZSA-N 318.342 4.559 30 20 DJED C=CCCCC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 508969505 WVASUNCAQCVVOR-UHFFFAOYSA-N 311.400 4.711 30 20 DJED C=CCCC(=O)N[C@@H](c1cccc2ccccc12)C(F)(F)F 511687248 CQOJDLAMUUPLBM-INIZCTEOSA-N 307.315 4.526 30 20 DJED C=C1CCN(C(=O)CCCCc2ccc(C(C)(C)C)cc2)CC1 519419875 RGGYIJGSQXQHQP-UHFFFAOYSA-N 313.485 4.876 30 20 DJED C[C@@H]1CCc2c(sc(NC(=O)CC3=CCCCC3)c2C#N)C1 520725065 BVZKTGDUUNFWPW-GFCCVEGCSA-N 314.454 4.574 30 20 DJED N#CCC[C@@H](NCc1ccc(C(F)F)cc1)c1ccccc1 526984418 SUEPIAUCCRMWSA-QGZVFWFLSA-N 300.352 4.759 30 20 DJED Cc1cccc([C@H](NCc2cc(C#N)ccc2F)C(C)(C)C)c1 540437722 IQRQULMMVBPIRC-IBGZPJMESA-N 310.416 4.883 30 20 DJED C[C@@H](NCc1c(Cl)cccc1Cl)c1ccc(C#N)c(F)c1 540709080 IUMSTNUMRJMOJH-SNVBAGLBSA-N 323.198 4.855 30 20 DJED C=CCN(C(=O)N[C@@H](c1ccc(Cl)cc1F)C(C)C)C1CC1 541918425 AXEYWVIQVRGALT-MRXNPFEDSA-N 324.827 4.536 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1cccc2cc[nH]c12 547526240 JEEZMQFTDWEPCP-UHFFFAOYSA-N 311.429 4.768 30 20 DJED C=CCCO[C@@H](C)c1nc([C@@H](c2ccccc2C)C(C)C)no1 554848492 ZNYZFXZCFUUBKT-DOTOQJQBSA-N 314.429 4.820 30 20 DJED Cc1cccc2c1CC[C@@H]2N[C@@H](C)c1ccc(C#N)cc1Cl 569657230 UPKLUCGSVSQHGL-DJJJIMSYSA-N 310.828 4.858 30 20 DJED COc1ccccc1[C@@H](NCC(C)(C)CCC#N)C1CCCC1 573588455 RIEISURXYNZZGR-IBGZPJMESA-N 314.473 4.846 30 20 DJED Cc1cc(NC(=O)c2cc(C#N)ccc2Cl)c(Cl)cc1F 589008203 FDHYGUAVCSCTHZ-UHFFFAOYSA-N 323.154 4.565 30 20 DJED C[C@@H]1CC[C@H](C(F)(F)F)CN1CCC1(C#N)CCCCC1 591026241 WXDUVLILMWWYPF-KGLIPLIRSA-N 302.384 4.513 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc2c(c1)CCC2 615476523 YIYOKFNHYDJGOP-UHFFFAOYSA-N 324.399 4.535 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCC[C@H](F)C1 646375841 YQCVHSPKDHSUDD-HOTGVXAUSA-N 318.436 4.941 30 20 DJED C=CCOc1ccc(C(=O)Nc2cc(SC)ccc2C)cc1 678868825 ZEXRRQLOPRZRMH-UHFFFAOYSA-N 313.422 4.534 30 20 DJED CCCCCC[C@@H](C)CC(=O)N(C)Cc1cccc(C#N)c1 727663965 LOYPOPCYENSUKZ-MRXNPFEDSA-N 300.446 4.513 30 20 DJED O=C1/C(=C/c2ccc(C(F)(F)F)cc2)COc2ccc(F)cc21 731565129 FTIVLUYGGBMUIN-YRNVUSSQSA-N 322.257 4.503 30 20 DJED Cc1cc(C(=O)/C=C/c2cc(C(F)(F)F)ccc2F)ccc1O 733207314 XJFNYHNORCFHBT-FARCUNLSSA-N 324.273 4.755 30 20 DJED CC(C)(C)CC(=NNc1cnnc2ccccc12)c1ccccc1 733748053 DIROITMXNWQSJU-UHFFFAOYSA-N 318.424 4.882 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(F)cc2C)cc1Cl 741468913 YOQXHUJVUWOVCA-CLTKARDFSA-N 304.748 4.692 30 20 DJED Cc1ccc([C@@H]2CCCCN2Cc2ccc(OCC#N)cc2)cc1 741793392 JZFQBCGHCWSEDH-NRFANRHFSA-N 320.436 4.625 30 20 DJED O=C1/C(=C/c2cccnc2Cl)CCc2ccc(Cl)cc21 761206593 PSNWVPURAKLRFV-DHZHZOJOSA-N 304.176 4.601 30 20 DJED CCOc1c(Cl)cc(NCc2cccc(C#N)c2)cc1Cl 767191065 MTAQLHFSKKUAHW-UHFFFAOYSA-N 321.207 4.876 30 20 DJED Cc1cc(CNCc2cccc(-c3ccc(C#N)s3)c2)c(C)o1 767377492 MTHPQNJDEDJTRI-UHFFFAOYSA-N 322.433 4.786 30 20 DJED C#CC[C@H](N[C@H](C)c1ccc2ccccc2n1)c1ccccc1 773113849 FUWILDSJQJJKPQ-UZLBHIALSA-N 300.405 4.650 30 20 DJED O=C(/C=C/c1coc(-c2ccccc2)n1)c1cccc(F)c1F 776267865 HGDMPIVRMKEOKI-MDZDMXLPSA-N 311.287 4.516 30 20 DJED C[C@H](C#N)Oc1ccccc1N[C@@H]1CC[C@](C)(c2ccccc2)C1 783291804 WRQZZEIHHIUHDR-BLIXFSHQSA-N 320.436 4.900 30 20 DJED C=CCC(C)(C)C(=O)OCc1cc2ccccc2nc1Cl 796473588 KPPSSPWKNGBSBT-UHFFFAOYSA-N 303.789 4.534 30 20 DJED C=CCCCCCCNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 805221004 IWCPPCIADFEHLW-ZIAGYGMSSA-N 305.384 4.608 30 20 DJED Cc1c(C(=O)/C=C\c2ccccc2Cl)cnn1-c1ccccc1 818253811 YBGVAPNOGUJKCH-QXMHVHEDSA-N 322.795 4.730 30 20 DJED Cc1csc([C@H](C#N)C(=O)C2=C(c3ccccc3)CCCC2)n1 835037612 RHBKRZWEFWDUMT-QGZVFWFLSA-N 322.433 4.656 30 20 DJED CCCCCCCCC[S@@](=O)Cc1ccc(Cl)cn1 841729391 WPHKQTCFWYHCMM-LJQANCHMSA-N 301.883 4.734 30 20 DJED Fc1ccc(F)c(C=NNc2ccnc3cc(Cl)ccc23)c1 915935371 YMLGOLQIOVRCSD-UHFFFAOYSA-N 317.726 4.612 30 20 DJED O=C1/C(=C/c2ccccc2OC(F)F)Cc2c(Cl)cccc21 921264052 NWYAGABVIJZSBU-DHZHZOJOSA-N 320.722 4.764 30 20 DJED Cc1ccc2c(c1)C/C(=C\c1cccc(Br)c1)C2=O 921264461 ULKHRYUAWVJIOR-RIYZIHGNSA-N 313.194 4.580 30 20 DJED N#Cc1cc(CN[C@H]2CCCC[C@H]2Cc2ccccc2)ccc1F 1169553924 GNHNKHWFHQQPHE-RXVVDRJESA-N 322.427 4.588 30 20 DJED CC(C)CC[C@@H]1CCC[C@H]1NCc1ccc(C#N)c(Cl)c1 1181164388 XNTLIQUDNJPTOQ-MAUKXSAKSA-N 304.865 4.906 30 20 DJED CC[C@H]1C[C@H](C)CN1C(=O)Nc1scc(C(C)(C)C)c1C#N 1205528402 JRBWZZGRVSHLHY-RYUDHWBXSA-N 319.474 4.570 30 20 DJED CCN(C(=O)OCc1ccccc1C)[C@H](C)c1ccc(C#N)cc1 1208370692 VMKUTJUFPYMKSC-MRXNPFEDSA-N 322.408 4.586 30 20 DJED Cc1cccc2cc(C(=O)O[C@@H](C)c3cccc(C#N)c3)sc12 1266016570 JQSSFSPUMZZBIQ-ZDUSSCGKSA-N 321.401 4.999 30 20 DJED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C 1310419276 ZWYFXTAVUQOEPW-DOTOQJQBSA-N 313.445 4.593 30 20 DJED CCCCCCCNCc1sc(N2CCCCC2)nc1C 1338751771 QWIFJBJTPDXJSE-UHFFFAOYSA-N 309.523 4.502 30 20 DJED Cn1cc(-c2ccc(/C=C\C(=O)c3cccc(Cl)c3)cc2)cn1 1339669414 FSAZCCHHIBGVNJ-YFHOEESVSA-N 322.795 4.637 30 20 DJED N#Cc1cc(Cl)ccc1NC(=O)c1ccc(F)c2ccccc12 1437645803 IEXMCALJGIJSOZ-UHFFFAOYSA-N 324.742 4.756 30 20 DJED CCCN(Cc1cccc(C#N)c1)Cc1c(F)cccc1Cl 1459374803 FYSACPSHRZSVJV-UHFFFAOYSA-N 316.807 4.763 30 20 DJED CC(C)c1ccc(C[C@H](C)Nc2c(C#N)cccc2C#N)cc1 1472731928 DWXJMZOSETUCFN-HNNXBMFYSA-N 303.409 4.596 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)[C@H](C)C3CCC3)c2C#N)[C@H](C)C1 1527031373 ABIHTLGYPUTUCI-QJPTWQEYSA-N 316.470 4.680 30 20 DJED C[C@@H](OC(=O)Cc1cccc2ccccc12)c1ccc(C#N)cc1 1539792006 TYQFKVTZKVQSDQ-OAHLLOKOSA-N 315.372 4.558 30 20 DJED Cc1cc(N[C@H]2CC[C@H](C)CC2)n2c(nc3ccccc32)c1C#N 1559101818 WSDGMOGIPWGMGU-CTYIDZIISA-N 318.424 4.658 30 20 DJED CCC[C@@H](Nc1ccc(NC(=O)OCC)c(C#N)c1)C1CCC1 1560749079 NNTPVIONRWKCTG-MRXNPFEDSA-N 315.417 4.507 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)CCC3CCC3)c2C#N)[C@H](C)C1 1583690736 SFTSLOGCDRZBLE-NWDGAFQWSA-N 316.470 4.824 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)Cc1cccc(Cl)c1 1584892279 KHRNTOYPWLCJRS-UHFFFAOYSA-N 320.779 4.546 30 20 DJED N#Cc1ccc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1Br 1639474622 PDCCRRFUHGMVJO-SGMGOOAPSA-N 319.246 4.701 30 20 DJED C[C@H]1c2ccc(F)cc2CCN1CCC1(C#N)CCCCC1 1644386037 KADMMFNKNDHTSS-HNNXBMFYSA-N 300.421 4.609 30 20 DJED CC(C)Sc1ccc([C@@H](C)Nc2ncc(C#N)cc2F)cc1 1651505737 IKAYQEHHBKYHMW-GFCCVEGCSA-N 315.417 4.766 30 20 DJED Cc1ccccc1[C@H](Nc1cc(C#N)cnn1)[C@@H]1CCC[C@@H](C)C1 1651508537 OSXFJHVBSAOXPC-WIBUTAKZSA-N 320.440 4.636 30 20 DJED CC[C@H](Cc1ccccc1)N(C)Cc1ccc(Cl)cc1C#N 1652599505 GHGNOKNBDCXETP-LJQANCHMSA-N 312.844 4.665 30 20 DJED CCN(Cc1ccc(F)c(C#N)c1)Cc1ccc2ccccc2c1 1653212100 SQJCGQPXUILIOP-UHFFFAOYSA-N 318.395 4.873 30 20 DJED Cc1ccc(C#N)c(NCC(C)(C)Cc2cccc(Cl)c2)n1 1655273914 SHMORFFMJXKKNO-UHFFFAOYSA-N 313.832 4.596 30 20 DJED CN(Cc1cccc(F)c1C#N)[C@H]1CCCC[C@@H]1c1ccccc1 1660031969 CWIDBPQPMVZYCJ-NQIIRXRSSA-N 322.427 4.856 30 20 DJED CC(=NNc1ccccc1C(=O)O)c1ccc(C(C)(C)C)cc1 1776029907 JJIPANQTDKIPCK-UHFFFAOYSA-N 310.397 4.518 30 20 DJED CC(C)Cc1ccccc1/C=C\C(=O)c1csc(C(=O)O)c1 1776341292 PMJZWTCBABDNJV-FPLPWBNLSA-N 314.406 4.541 30 20 DJED CC(C)c1ccc2c(c1)C(=O)/C(=C/c1ccc(C(=O)O)cc1)CC2 1776374600 FSHFMBASVKIQFP-WOJGMQOQSA-N 320.388 4.721 30 20 DJED CC[C@@H](C)c1ccc(C(=O)/C=C/c2cc(C(=O)O)c(C)o2)cc1 1776700028 PIODWQXLYSXBFK-BZYZDCJZSA-N 312.365 4.696 30 20 DJED Cc1csc([C@@H](C#N)C(=O)c2sccc2-c2ccccc2)n1 41521645 KITMPZBGMYQVEZ-AWEZNQCLSA-N 324.430 4.670 30 20 DJED C=CCN(Cc1ccccc1)Cc1nc(-c2cccs2)oc1C 105937918 LYOSYPKBCTXPOC-UHFFFAOYSA-N 324.449 4.900 30 20 DJED C=C[C@@H](CC(=O)N1CCC[C@H]1c1cccc(F)c1)c1ccccc1 179032999 CKHMHVOOUOCFLP-JXFKEZNVSA-N 323.411 4.849 30 20 DJED C[C@@H](NCc1ccc(F)cc1C#N)c1cc2ccccc2s1 184372156 AUQKBFLWCGMZCI-GFCCVEGCSA-N 310.397 4.763 30 20 DJED Cc1ccc(C(=O)/C=C\c2cc(Br)cs2)s1 210337781 DSHIYLVDSKHBLL-ARJAWSKDSA-N 313.241 4.777 30 20 DJED CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccccc1S[C@H](C)CC#N 249419227 HGLQDUJSQZCIDG-GLJUWKHASA-N 316.470 4.702 30 20 DJED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cc2ccccc2o1 272335503 YURLMZAHWOWLHY-AWEZNQCLSA-N 302.377 4.644 30 20 DJED C[C@@H](NC(=O)[C@]1(C#N)CC12CCCC2)c1cc2ccccc2s1 294605323 MMQISZGUFHBNQX-BFUOFWGJSA-N 324.449 4.553 30 20 DJED C=CCCNc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 303831155 LNGWLOLJWQURRP-UHFFFAOYSA-N 320.864 4.733 30 20 DJED CC(C)(C)C[C@@H](NCc1cccc(OCC#N)c1)c1ccccc1 324598213 GNMIGOSXZGNINK-HXUWFJFHSA-N 322.452 4.856 30 20 DJED CC[C@H](CC1CCCC1)/C(O)=N/[C@H]1CCC(O)=NC12CCC2 328714207 CGIWELAEQMYKLJ-CABCVRRESA-N 306.450 4.591 30 20 DJED CC[C@H]1CCCC[C@H]1C(O)=Nc1nc(C2CCOCC2)cs1 329183262 FMISQSOBZPGACN-GXTWGEPZSA-N 322.474 4.842 30 20 DJED C[C@H]1C[C@@H](C(O)=Nc2ncc(C3CCCCC3)s2)CCC1=O 329302413 NKGZBMOAMBOYET-AAEUAGOBSA-N 320.458 4.784 30 20 DJED C[C@H]1C(=O)CC[C@H](C(O)=Nc2nc(C(C)(C)C)cs2)C1(C)C 329824375 BLPQUBQOYZQEGP-WDEREUQCSA-N 322.474 4.670 30 20 DJED C=CCC[C@H](NC(=O)c1ccn(C)c1C1CCC1)c1ccccc1 343211180 HSPRFAXHOSEQSM-IBGZPJMESA-N 322.452 4.730 30 20 DJED C=CC[C@H](CC)NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 410118625 PNJLMMDTLCRJON-PWSUYJOCSA-N 300.229 4.568 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc(C2CC2)cc1 417353880 KEYYXYNYNJBTMX-UONOGXRCSA-N 308.400 4.987 30 20 DJED C=CCC[C@H](C)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 427850784 JGHRCRVMVQTGJU-UONOGXRCSA-N 309.837 4.522 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1cc(OC)c(C)cc1C 434901156 SLJGBUZQDLZWDP-UHFFFAOYSA-N 324.424 4.532 30 20 DJED C=CCN(C(=O)C1CCC(C(F)(F)F)CC1)c1ccccc1 435629615 URULGFRSBNJIKL-UHFFFAOYSA-N 311.347 4.574 30 20 DJED C[C@@H](NCCCCC(C)(C)C#N)c1nc(C(C)(C)C)cs1 444680380 FFDUSVYLONIXON-CYBMUJFWSA-N 307.507 4.811 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)[C@H](CC)CC(F)(F)F 451329612 XVLAVKYUEORBBA-OAHLLOKOSA-N 313.363 4.570 30 20 DJED C[C@H](Cc1c(Cl)cccc1Cl)N[C@H]1CCC[C@@H](C#N)C1 463233796 FEFQJFAEWCDFFQ-UPJWGTAASA-N 311.256 4.596 30 20 DJED CC(N[C@@H]1CCC[C@H](C#N)C1)(c1ccccc1)c1ccccc1 463245441 CHBVPGVTTYQQLH-FXAWDEMLSA-N 304.437 4.622 30 20 DJED C=CCCC[C@H](C)NC(=O)c1cc(F)ccc1-c1ccoc1 471103988 MHNUQSOGCHANDA-ZDUSSCGKSA-N 301.361 4.560 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)[C@H](C)c1ccc2ccccc2c1 471160836 OLKLYNPKRWACJB-MRXNPFEDSA-N 322.452 4.874 30 20 DJED CN(Cc1ccc(F)cc1C#N)Cc1c(Cl)cccc1Cl 489632217 GVQITEOTQMPVRT-UHFFFAOYSA-N 323.198 4.636 30 20 DJED C=C(C)CN(CC)C(=O)N[C@H](CC1CCC1)c1ccccc1 498353402 IYFKUXFWKVXVKI-GOSISDBHSA-N 300.446 4.526 30 20 DJED Cc1cc(Cl)c(C(=O)N[C@@](C)(C#N)C2CCCCC2)cc1C 519019674 WVHPYUNSRYVDBA-SFHVURJKSA-N 318.848 4.549 30 20 DJED C=CC[C@@H](C)NC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 523941988 MBONYPPGLLCXLP-CJNGLKHVSA-N 306.425 4.567 30 20 DJED Cc1ccc(-n2nc(N[C@@H](C)c3cccc(C#N)c3)cc2C)cc1 527211022 MNCGITFSGWVURJ-INIZCTEOSA-N 316.408 4.534 30 20 DJED CCC(C#N)(CC)c1nc(Cc2ccc(Cl)cc2Cl)no1 528066788 VXSSVNZXJSYDKM-UHFFFAOYSA-N 324.211 4.549 30 20 DJED CC(C)(C#N)CCN1Cc2ccccc2[C@H](c2ccccc2)C1 534216630 ZAEYMALLBGZKSN-FQEVSTJZSA-N 304.437 4.574 30 20 DJED C=CCCOCCCCC(=O)N1CCCC2(CCCCCC2)C1 538300104 ITHUTKDHGUQHOR-UHFFFAOYSA-N 321.505 4.712 30 20 DJED C=CC[C@H](C)N[C@@H](C)c1sc(Cc2ccccc2)nc1C 539071291 INPFPBFNUMSGMG-KBPBESRZSA-N 300.471 4.658 30 20 DJED C[C@H](N[C@H]1CCc2c(Cl)cccc21)c1ccc(C#N)c(F)c1 539610055 OBIKWAYAFQPOCS-VOJFVSQTSA-N 314.791 4.689 30 20 DJED C=CCC[C@H](CCC)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 543594777 JJHAPJPYWYJQRE-GBESFXJTSA-N 305.437 4.770 30 20 DJED Cc1ccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1Cl 590880737 OYCRGZPIGUYRLQ-HNNXBMFYSA-N 320.779 4.687 30 20 DJED CCCc1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 611475967 DHCLJEQDRZSTKA-INIZCTEOSA-N 304.437 4.851 30 20 DJED CC(C)(C#N)CN[C@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 613540331 JXBDBWWRUDMLIK-WFASDCNBSA-N 311.256 4.769 30 20 DJED C=CC[C@H]1CCCN(C(=O)Nc2ccccc2C(C)(F)F)C1 667184418 QLEAYDZSKMLLSE-ZDUSSCGKSA-N 308.372 4.618 30 20 DJED Cc1cc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)ccc1O 728231714 NYJDGPXVYAZFPJ-XBXARRHUSA-N 306.283 4.616 30 20 DJED C=CCc1cc(OC)ccc1OC(=O)c1cccc(C(F)F)c1 729169802 CVQQCRGLFKOZHD-UHFFFAOYSA-N 318.319 4.581 30 20 DJED O=C(/C=C\c1ccccc1)c1ccc(SCC(F)F)cc1 741843885 RDTRIKOVQHHCKN-WDZFZDKYSA-N 304.361 4.940 30 20 DJED CC(C)=CCC[C@H](C)CC=NNc1oc(C(C)C)nc1C#N 745625215 UKKVSLFSLSIOAV-AWEZNQCLSA-N 302.422 4.840 30 20 DJED O=C(/C=C\c1c(F)cccc1F)c1ccc(-c2ccncc2)cc1 745990176 MKUIQLXGADBQFU-HJWRWDBZSA-N 321.326 4.923 30 20 DJED CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccc(F)cc1Cl 747061874 OCDKVHXWNAXVLQ-UHFFFAOYSA-N 321.739 4.532 30 20 DJED CCOc1ccc(Cl)cc1C(=O)/C=C/c1ccc(Cl)nc1 749005915 NUTFGALEDRGUME-ZZXKWVIFSA-N 322.191 4.683 30 20 DJED O=C1/C(=C\c2cnc(C3CCC3)s2)Cc2c(F)ccc(F)c21 749589104 HPYAWDUVFDODFB-POHAHGRESA-N 317.360 4.511 30 20 DJED C=C(C)CNC(=S)Nc1cccc(COC(C)(C)CC)c1C 749827668 JDKMMHBVCVIKBL-UHFFFAOYSA-N 320.502 4.563 30 20 DJED CC(C)c1ncc(/C=C/C(=O)c2ccccc2OC(F)F)s1 758423790 RUKYZMIKUXRMKK-BQYQJAHWSA-N 323.364 4.764 30 20 DJED O=C(/C=C\c1cc2ccccc2s1)c1csc(C(=O)O)c1 758433246 FMGJFGKCVOYCIR-WAYWQWQTSA-N 314.387 4.557 30 20 DJED Cc1cc(F)ccc1C(=O)/C=C/c1ccc(Cl)nc1Cl 761475330 DATNWJSZBOJKEJ-QHHAFSJGSA-N 310.155 4.732 30 20 DJED C[C@@H](C#N)Oc1ccc(CN(CC2CCCCC2)C2CC2)cc1 768920185 IIORRBKHXLLGAE-INIZCTEOSA-N 312.457 4.522 30 20 DJED C#CCCCCCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 779736329 CMUZYRPIQSVCLV-UHFFFAOYSA-N 312.240 4.536 30 20 DJED C#CCCCCCC(=O)N(C1CC1)[C@@H](C)c1ccccc1Cl 779808074 XGMZGBYULMLBCB-HNNXBMFYSA-N 317.860 4.976 30 20 DJED CC(C)n1nccc1/C=C\C(=O)c1cc(Cl)sc1Cl 794937619 HJYSSKNRRRSZEH-ARJAWSKDSA-N 315.225 4.728 30 20 DJED C[C@@H](CC#N)OC(=O)c1csc(-c2ccc(Cl)cc2)c1 796883101 OADZCCXQDOTRCY-JTQLQIEISA-N 305.786 4.527 30 20 DJED CC(=NNc1cccc(C(F)(F)F)c1)c1coc(C(C)C)n1 799464923 RMHUBVVGURAALT-UHFFFAOYSA-N 311.307 4.653 30 20 DJED CCC(C)(C)C1CCC(CC(=O)[C@@H](C#N)c2ccccn2)CC1 802040324 KQJZMMJSJFKPBN-JCYILVPMSA-N 312.457 4.891 30 20 DJED O=C1/C(=C/c2cccc(Cl)c2Cl)Cc2c(O)cccc21 810249053 KWMUQHCQWJVJMP-JXMROGBWSA-N 305.160 4.521 30 20 DJED C=CCCCCCCCNC(=O)c1c(C)nn(C(C)(C)C)c1C 811590640 AVNDLIXFSJXJDQ-UHFFFAOYSA-N 319.493 4.511 30 20 DJED C=CCC(F)(F)C(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 815051549 QWRDCRAUYMIWEC-INIZCTEOSA-N 321.411 4.859 30 20 DJED Cc1ccc(/C=C/C(=O)c2sccc2Br)s1 915113956 YSKTWNADRJRRPW-SNAWJCMRSA-N 313.241 4.777 30 20 DJED O=C(/C=C/c1ccc(N2CCCCC2)cc1)c1cccc(F)c1 916134315 KBHZAAUNVCWVTM-FMIVXFBMSA-N 309.384 4.712 30 20 DJED Cc1ccccc1C(=O)/C=C/c1ccc(N2CCCCC2)cc1 916155793 ALNRTLAVJUVDQE-SDNWHVSQSA-N 305.421 4.881 30 20 DJED COc1ccccc1/C=C\C(=O)c1ccc(OC)c2ccccc12 916547006 VBSRXCIXUUGPKZ-QBFSEMIESA-N 318.372 4.753 30 20 DJED C[C@@H](CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C1CC1 920439024 GDQOWOITAJCRQX-AWEZNQCLSA-N 320.392 4.725 30 20 DJED Cc1cc(CN(C)Cc2ccc(Cl)cc2Cl)ccc1C#N 1179914553 ZEKCRKGETLLOIL-UHFFFAOYSA-N 319.235 4.806 30 20 DJED Cc1cc(C#N)ccc1CN(C)Cc1cccc(C(F)(F)F)c1 1233082463 CWQWEIMVGGRMDW-UHFFFAOYSA-N 318.342 4.518 30 20 DJED Cc1ccc([C@H]2CCC[C@H]2OC(=O)c2ccc(CC#N)cc2)cc1 1269820511 SHSVENRRGDRZDJ-WOJBJXKFSA-N 319.404 4.554 30 20 DJED Cc1ccc(N(CC(C)C)C(=O)c2csc(C#N)c2)c(C)c1 1332538599 PRVDWSQZRABBCB-UHFFFAOYSA-N 312.438 4.539 30 20 DJED CC(C)c1ccc(C2(C(=O)[C@@H](C#N)c3ccccn3)CCC2)cc1 1347093353 SJGQVJVBIKUNHF-SFHVURJKSA-N 318.420 4.503 30 20 DJED N#Cc1cccc(C(=O)N[C@@H](c2ccccc2)C2CCCCC2)c1 1356411336 BETWGPYIRLBRDC-FQEVSTJZSA-N 318.420 4.610 30 20 DJED CC[C@H](Cc1cccc(C)c1)C(=O)O[C@H](C)c1ccc(C#N)cc1 1457193051 RCTGZTLULIDUIH-VQIMIIECSA-N 321.420 4.740 30 20 DJED Cc1nc(N[C@H]2CC(C)(C)CCc3ccccc32)ccc1C#N 1458332647 CMXHPVQIYNBKBK-SFHVURJKSA-N 305.425 4.777 30 20 DJED CN(CCC(C#N)(c1ccccc1)c1ccccc1)C(C)(C)C 1473580120 PUNQTAPXOHMOJL-UHFFFAOYSA-N 306.453 4.617 30 20 DJED CC[C@H](CC1CCCC1)C(=O)N[C@@H](CCC#N)c1ccccc1 1526439476 LZZBYDKBVQOFEC-MJGOQNOKSA-N 312.457 4.754 30 20 DJED Cc1ccc(C#N)cc1C(=O)Nc1cccc(OCCC(C)C)c1 1535239811 WLTXIQCQYQFJLK-UHFFFAOYSA-N 322.408 4.544 30 20 DJED CC1(C)CC(C(=O)NC2(c3cccc(C#N)c3)CC2)CC(C)(C)C1 1539839483 XCTRHQVBHZFRSK-UHFFFAOYSA-N 324.468 4.516 30 20 DJED CCS[C@H]1CCCC[C@H]1Nc1nc(C(C)(C)C)ccc1C#N 1639586211 FPMVMPMVQPFVOD-CABCVRRESA-N 317.502 4.727 30 20 DJED CCc1ccc2ccccc2c1CNCc1ccc(C#N)cc1F 1651534906 ZWWIKLDCSDTDDY-UHFFFAOYSA-N 318.395 4.703 30 20 DJED Cc1ccc2c(c1)SCCCN2Cc1cccc(F)c1C#N 1659360609 SHYFWPORMGVCNW-UHFFFAOYSA-N 312.413 4.508 30 20 DJED Cc1c(C#N)cccc1NC(=O)N(CC(C)(C)C)CC(C)(C)C 1669820351 OXCOZYUAVZPOGP-UHFFFAOYSA-N 315.461 4.793 30 20 DJED Cc1ccc(/C=C\C(=O)c2cccc3ccccc23)cc1C(=O)O 1776114651 VTSJBZXEGOOVHJ-QXMHVHEDSA-N 316.356 4.743 30 20 DJED Cc1ccc(-c2cc(CSCc3ccccc3C#N)on2)cc1 30523926 VZLSMYADUIVHOD-UHFFFAOYSA-N 320.417 4.955 30 20 DJED Cc1ccc(Oc2ccccc2NC(=O)N(C)[C@H](C)CC#N)cc1 86280921 QUKITIYQLXOBRK-OAHLLOKOSA-N 323.396 4.553 30 20 DJED CCN(C(=O)c1ccc(SC)cc1)[C@H](C)c1ccc(C#N)cc1 97174675 QSIRTLUTUPBINI-CQSZACIVSA-N 324.449 4.503 30 20 DJED N#Cc1cccc(C(=O)/C=C/c2cccc(-c3cccnc3)c2)c1 128943612 FSJBUNWNUVCYFG-MDZDMXLPSA-N 310.356 4.516 30 20 DJED C[C@@H](NCc1ccc(F)c(C(F)(F)F)c1)c1ccc(C#N)cc1 162543180 BHTPZZODFYSNMX-LLVKDONJSA-N 322.305 4.567 30 20 DJED CCSc1ccc([C@@H](C)NCc2ccc(C#N)s2)cc1 176962519 IFMVLSROARVISF-GFCCVEGCSA-N 302.468 4.583 30 20 DJED Cc1cc(Cl)ccc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 177785470 QUSBULNARPJKDS-UHFFFAOYSA-N 312.800 4.702 30 20 DJED COc1ccc(-c2nc(CSCCC(C)(C)C#N)co2)cc1 276647744 UKJSLTGKZFDIHF-UHFFFAOYSA-N 316.426 4.523 30 20 DJED CC(C)(C)c1cc(C#N)c(NC(=O)c2sccc2Cl)s1 297621345 BMHHIRUDFPCJLU-UHFFFAOYSA-N 324.858 4.884 30 20 DJED Cc1ncc(N=C(O)c2oc3c(C)cccc3c2C)c(C2CC2)n1 328791049 QPVGIAQFSCHHKJ-UHFFFAOYSA-N 321.380 4.662 30 20 DJED OC(=Nc1cccc(-c2nc[nH]n2)c1)[C@@H]1CCC[C@@H]2CCCC[C@H]21 329170065 JWBGJGTUMVXVRX-IAOVAPTHSA-N 324.428 4.666 30 20 DJED Cc1cccc(C2(C/N=C(/O)c3conc3C3CC3)CCCC2)c1 329217355 PZLVAINQUSYSHL-UHFFFAOYSA-N 324.424 4.677 30 20 DJED Cc1cc(O)nc2cc(/C(O)=N/[C@H]3CCCC(C)(C)C3)ccc12 329656925 MYHBZAFWDCPRSE-AWEZNQCLSA-N 312.413 4.522 30 20 DJED N#Cc1ccc(NC[C@H]2CCCCC2(F)F)cc1C(F)(F)F 381913569 NNZPUFMAGJBCSL-LLVKDONJSA-N 318.289 4.814 30 20 DJED C[C@@H]1CCC[C@H](CC(=O)Nc2cccc(OCCCC#N)c2)C1 498774083 DNZLNNXECBFJCU-CVEARBPZSA-N 314.429 4.524 30 20 DJED C[C@@H](c1ccc(F)c(F)c1)N1CC=C(c2ccc(C#N)cc2)CC1 502507383 NBIFXQUDNQWVPT-AWEZNQCLSA-N 324.374 4.687 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCCC(C)(C)C 504377166 UENLXZIRUDHJGW-UHFFFAOYSA-N 300.446 4.512 30 20 DJED Cc1ccc(C)c(N(C(=O)c2cccc(C#N)c2C)C(C)C)c1 509496942 XHRYMJQGFPNJKG-UHFFFAOYSA-N 306.409 4.539 30 20 DJED CC[C@H](Nc1cccc(F)c1C#N)c1ncc(-c2ccccc2)[nH]1 537091173 QVPDRIRKGZDDCN-INIZCTEOSA-N 320.371 4.651 30 20 DJED C=CCC[C@@H](NCc1cccc(NC(=O)[C@@H](C)CC)c1)C1CC1 539092596 CEEJJOBKQQVXNB-HNAYVOBHSA-N 314.473 4.506 30 20 DJED C[C@H](C#N)C(=O)N(Cc1cccc2ccccc12)c1ccccc1 540716272 HQJBKMUXEOOKAQ-MRXNPFEDSA-N 314.388 4.533 30 20 DJED CC(C)(C#N)CCCCN1CCC(c2ccccc2F)CC1 562470964 BIFLKUIIAUYCFE-UHFFFAOYSA-N 302.437 4.725 30 20 DJED C=C(C)COc1cccc(NC(=O)c2cc3occc3s2)c1 605460736 APLPYHSPVYJHMX-UHFFFAOYSA-N 313.378 4.702 30 20 DJED CC[C@H](C)[C@H](C(=O)N[C@H](C)c1cccc(C#N)c1)c1ccccc1 610362615 QKDINEAOECPENE-YRNRMSPPSA-N 320.436 4.565 30 20 DJED CC(C)(C)OCc1ccc(NC(=O)Nc2cccc(C#N)c2)cc1 610613378 ZBXMFBUFSKDOKZ-UHFFFAOYSA-N 323.396 4.517 30 20 DJED CCC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(OC)cc1 610829748 IGIZXQWVFPCHOP-YWZLYKJASA-N 308.425 4.759 30 20 DJED C=CCCC1(C(=O)N2CCC[C@@H](Cc3ccc(C)cc3)C2)CC1 684422463 XSOPSFWMGJEKTK-IBGZPJMESA-N 311.469 4.523 30 20 DJED CCn1nc(C)c(/C=C\C(=O)c2ccc(Cl)cc2Cl)c1C 727976211 NQCFZPXJOFBYTA-FPLPWBNLSA-N 323.223 4.723 30 20 DJED CCCCCCCCC(=O)Nc1ccc2c(c1)CCCC(=O)N2 728497947 LVUFDAONLFDYRM-UHFFFAOYSA-N 316.445 4.651 30 20 DJED CCCCCCCCCNC(=O)N1CCC[C@@H]1c1ccc[nH]1 734263652 NLSSGUSRIJQEPL-QGZVFWFLSA-N 305.466 4.612 30 20 DJED CCOc1ccc(C(=O)/C=C\c2ccc(OC)c(Cl)c2)cc1 741469657 WLYGEXCGEBBBOY-WMZJFQQLSA-N 316.784 4.643 30 20 DJED CC(=NNc1ccccc1)c1ccc(SCC(F)F)cc1 741758790 CDAXSDYRPSKRPE-UHFFFAOYSA-N 306.381 4.880 30 20 DJED CCCCCC[C@H](C)C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 744161032 RMBKYTNEOCLTHM-LSDHHAIUSA-N 311.429 4.654 30 20 DJED C=CC[C@@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1ccncc1 756583533 PHAWPNGAGIWPPH-MGPUTAFESA-N 322.452 4.634 30 20 DJED CC[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2o1)C1CCC(C)CC1 764756211 PVIZIKCNJIWWQJ-SSHXOBKSSA-N 324.424 4.857 30 20 DJED COc1ccsc1C(=O)/C=C/c1cccc(C(F)(F)F)c1 769744019 CWDHBSPYRANGIA-AATRIKPKSA-N 312.312 4.672 30 20 DJED C[C@@H](Nc1cnn(-c2ccccc2Cl)c1)c1cccc(C#N)c1 777265388 MNSTVSQDFPQYHG-CYBMUJFWSA-N 322.799 4.570 30 20 DJED FC(F)(F)c1ccccc1NN=C1CCC[C@H]1c1ccccn1 794855086 NGXPSZFHVKBSKS-LBPRGKRZSA-N 319.330 4.836 30 20 DJED C[C@@H](C#N)OCCS[C@@H](c1ccccc1)c1ccc(F)cc1 801661794 SNBKTFNNZHSSQE-KSSFIOAISA-N 315.413 4.577 30 20 DJED COc1ccc(C(=O)/C=C\c2scnc2C2CC2)c(Cl)c1 819015339 ZTJONSDFKREWIO-SREVYHEPSA-N 319.813 4.579 30 20 DJED CC(C)=CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 879790727 GPTHXTJNFCYUGT-LBPRGKRZSA-N 316.470 4.675 30 20 DJED CC[C@@H](N[C@H](c1ncccc1C)C(C)C)c1cccc(C#N)c1 902805640 DNHTTXZHZVJZCK-MOPGFXCFSA-N 307.441 4.700 30 20 DJED N#Cc1cccc(C#N)c1N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 1163519230 BFHNGSWPQRQDNP-RDTXWAMCSA-N 321.811 4.832 30 20 DJED CC(C)c1ccc2c(c1)CCCN2CCOc1ccccc1C#N 1167755181 FRDQSWNWWFMZLY-UHFFFAOYSA-N 320.436 4.513 30 20 DJED C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3cccc(CC#N)c3)c21 1188676491 CPIULKHUUPHYPG-CQSZACIVSA-N 318.420 4.790 30 20 DJED CN(Cc1ccc(Cl)c(Cl)c1)Cc1cccc(F)c1C#N 1205215359 GZIVYASOOFWZHH-UHFFFAOYSA-N 323.198 4.636 30 20 DJED N#Cc1ccc(C2CCN(CCc3ccccc3Cl)CC2)cc1 1308114400 NKVPDSDVFQKNAX-UHFFFAOYSA-N 324.855 4.634 30 20 DJED C/C(=C/c1cccc(OCC#N)c1)c1ccc2ccccc2n1 1325205306 OJWPSTMJNRRYOZ-SQFISAMPSA-N 300.361 4.698 30 20 DJED C[C@@H](CC#N)N[C@@H](C)c1ncc(-c2ccc(Cl)c(Cl)c2)o1 1331776646 XTTFVZMOXSIXIP-UWVGGRQHSA-N 324.211 4.601 30 20 DJED CC(C)CC[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)C(C)(C)C 1435172847 PIHWKCPBAOIOKM-INIZCTEOSA-N 320.864 4.792 30 20 DJED Cc1cc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C)s1 1459533612 WPROKAILWAZIPY-RBUKOAKNSA-N 310.466 4.637 30 20 DJED N#Cc1cccc(SCc2cccc(OCC(F)(F)F)c2)c1 1472997553 WQLFQYZYHWEEJG-UHFFFAOYSA-N 323.339 4.792 30 20 DJED COc1ccc(C#N)cc1CN1c2ccccc2CC[C@@H]1C(C)C 1473350360 GMEXQDUXRUURGR-LJQANCHMSA-N 320.436 4.544 30 20 DJED Cc1ccccc1SC[C@H](C)CN1CCc2c(C#N)cccc21 1473570403 VDSSAVUQYDMCRA-OAHLLOKOSA-N 322.477 4.658 30 20 DJED CN(Cc1ccc(Cl)cc1C#N)c1ccc(F)c(Cl)c1 1616770955 AOQJHGLVHWSSBR-UHFFFAOYSA-N 309.171 4.641 30 20 DJED Cc1nc(N2C[C@@H](C)C[C@H]2c2ccccc2)c(Cl)cc1C#N 1651830162 NCPNCBAADHGNSL-SJCJKPOMSA-N 311.816 4.503 30 20 DJED Cc1cccc(C)c1CN(Cc1cccc(F)c1C#N)CC(C)C 1652713533 SMOTYVDTWNIZCH-UHFFFAOYSA-N 324.443 4.972 30 20 DJED CCCCN(Cc1ccc(C#N)cc1OC)[C@H]1CCC[C@@H](C)C1 1654582764 NXHRIFBVNGUIEG-APWZRJJASA-N 314.473 4.748 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccc2occc2c1 1679922279 UYSSZMRIFCHDQJ-CYBMUJFWSA-N 319.364 4.529 30 20 DJED N#Cc1ccc(CNc2ccccc2Oc2ccccc2)cc1 32757685 PKOWVFXBDNTJMN-UHFFFAOYSA-N 300.361 4.963 30 20 DJED C[C@H](CC(=O)Nc1cccc(OCCCC#N)c1)c1ccccc1 55568038 LKTFXFQJDCFFLK-MRXNPFEDSA-N 322.408 4.501 30 20 DJED Cc1ccccc1[C@H](NC(=O)Nc1ccc(CC#N)cc1)C(C)C 70023171 KPMFCJFPLKJXBW-LJQANCHMSA-N 321.424 4.580 30 20 DJED C[C@@H](C#N)Oc1ccc(/C=C/c2nc3cc(Cl)ccc3o2)cc1 110653169 WSYKFDLKEJHFLZ-KFRNIWOLSA-N 324.767 4.942 30 20 DJED C[C@H](Sc1nnc(-c2cccs2)o1)c1ccc(C#N)cc1 118172728 ABFBESQGSUNSSV-JTQLQIEISA-N 313.407 4.523 30 20 DJED C[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccccc1Cl 135101641 RNCXAVPKWKLMET-CQSZACIVSA-N 312.844 4.992 30 20 DJED CCC[C@H](C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 174002744 LEPMQYJQJWBWJV-ONGXEEELSA-N 306.818 4.562 30 20 DJED CCCCCCCCCN(C)C(=O)Nc1c(C)nn(CC)c1C 179521791 RXUMAEHZKMNAEE-UHFFFAOYSA-N 322.497 4.734 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)CC(C)(C)C1CC1 293514884 VTMIVMAWYGCKPM-ZDUSSCGKSA-N 316.470 4.703 30 20 DJED CC(C)Oc1ccc(CNc2ccc3cc(C#N)ccc3n2)cc1 301970605 DTMLRPADOMEHSK-UHFFFAOYSA-N 317.392 4.506 30 20 DJED COc1ccc(/C=C/c2nc3cc(Cl)ccc3o2)cc1C#N 303931791 QRDFXDVLGGORJY-XVNBXDOJSA-N 310.740 4.532 30 20 DJED CC(C)[C@H](/N=C(/O)[C@@H]1CC12CCCC2)c1nc2ccccc2[nH]1 329972953 WMDGAZWQCZDJTM-BBRMVZONSA-N 311.429 4.797 30 20 DJED C=CCOc1cccc(NC(=O)N2CCC[C@@](C)(CCC)C2)c1 437846454 LGFKGDPNXJRDML-LJQANCHMSA-N 316.445 4.686 30 20 DJED CCC[C@]1(C(F)(F)F)CCCN1CCCCC(C)(C)C#N 444662295 IUCGADRMXJNUDP-OAHLLOKOSA-N 304.400 4.903 30 20 DJED C=CC[C@H](C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccccc1 481643776 VQZVKNRVRDYSOD-IHPCNDPISA-N 323.411 4.548 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CSc2ccccc21 481667180 GTSYPVUCYLVJSI-RTBURBONSA-N 320.461 4.762 30 20 DJED CC(C)(CCCc1ccccc1)C(=O)Nc1cccc(C#N)c1 494092271 LCLDHLPERXWGEU-UHFFFAOYSA-N 306.409 4.546 30 20 DJED C=CCN(CC=C)C(=O)Nc1ccccc1Oc1cccc(C)c1 515110482 ZRQSNOKNHSRUET-UHFFFAOYSA-N 322.408 4.993 30 20 DJED CCc1cccc2c1OCC[C@@H]2Nc1ccc(C#N)c(Cl)c1 518364466 BFKBKMUEFAAXFI-KRWDZBQOSA-N 312.800 4.710 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CCCC[C@@H]1C 518881101 ZKPDVLHVFPKMFV-LPHOPBHVSA-N 312.457 4.512 30 20 DJED Cc1cc(C#N)ccc1OCc1csc(-c2cccs2)n1 522994471 GLDMSMBBKKQKHQ-UHFFFAOYSA-N 312.419 4.631 30 20 DJED N#Cc1c(F)cccc1N1CCCC[C@@H]1c1nc2ccccc2o1 535632125 QCWNTTGKCLJAAB-QGZVFWFLSA-N 321.355 4.570 30 20 DJED Cc1c(Br)ccc(NCCCC(C)(C)C#N)c1F 566887073 HYZUYHLEFIBXEZ-UHFFFAOYSA-N 313.214 4.639 30 20 DJED N#CC[C@@H](Cc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 571122959 KQLBNGOJNOKKAK-HNNXBMFYSA-N 323.783 4.630 30 20 DJED COc1cc(CNc2cc(C)cc(C#N)c2)cc(C(F)(F)F)c1 600860721 NWBFBMHFRVFUDM-UHFFFAOYSA-N 320.314 4.506 30 20 DJED CCN(C[C@@H]1CCOc2ccccc21)[C@@H](C)c1ccc(C#N)cc1 611256352 VORACHFOJZFLDU-LPHOPBHVSA-N 320.436 4.507 30 20 DJED CC/C=C(\C)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 729888591 LOAYLCROGAYGSQ-WQPBDQAGSA-N 310.422 4.651 30 20 DJED CC(=NNc1ncccc1C(F)(F)F)[C@H](C)c1ccccc1 746369480 UHCODKVYLLKWTQ-NSHDSACASA-N 307.319 4.692 30 20 DJED FC(F)(F)c1cccc(NN=C[C@@H]2CCOc3ccccc32)c1 752156923 JAYHJWDVUFWKEA-LBPRGKRZSA-N 320.314 4.669 30 20 DJED O=C1/C(=C\c2ccc(OC(F)F)c(F)c2)CCc2sccc21 754685192 LWZVKPMIAUCKGY-YFHOEESVSA-N 324.323 4.701 30 20 DJED COCCC(=NNc1nc(Cl)c(Cl)cc1Cl)C(C)C 756823818 MYOGWEJMLQPJKN-UHFFFAOYSA-N 324.639 4.502 30 20 DJED C#CC[C@@H](NCc1cc(Cl)cc(Cl)c1)c1ccccc1 756997576 XXAFJOWYOVYWSR-QGZVFWFLSA-N 304.220 4.848 30 20 DJED C#CCCCCNC(=O)Nc1ccc2c(c1)oc1ccccc12 758567127 NXOMTJURVSYHNU-UHFFFAOYSA-N 306.365 4.511 30 20 DJED C=CCCCCNC(=O)Nc1cccc(C2SCCS2)c1 771107532 UAXNBTGEBMDJKE-UHFFFAOYSA-N 322.499 4.643 30 20 DJED C=CC[C@@H](C(=O)OCc1ccc2ncccc2c1)c1ccccc1 778429817 YRPLAWJLIZOHHP-LJQANCHMSA-N 317.388 4.638 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2sccc2Cl)c(Cl)c1 788360913 PEAPVVMSSITFCZ-ARJAWSKDSA-N 308.189 4.823 30 20 DJED O=C(/C=C/c1cnc(-c2ccco2)s1)c1cc(F)cc(F)c1 789144199 SZSIEFZKZINSOK-ONEGZZNKSA-N 317.316 4.577 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C/c1cnc(-c3ccco3)s1)CC2 789144620 WDYNXXZXSNFWTC-GXDHUFHOSA-N 321.401 4.924 30 20 DJED C#CCCCC(=O)Nc1cc(Cl)ccc1-c1ccc(C)o1 794199950 QDZSPXCCSLJEIV-UHFFFAOYSA-N 301.773 4.650 30 20 DJED COc1ccc(C(=O)/C=C\c2sccc2Cl)c(C)c1OC 794741508 WJEGQOSHALDPGO-ALCCZGGFSA-N 322.813 4.623 30 20 DJED CC(=NNc1c(Cl)cccc1Cl)c1ccc(C)nc1C 814872094 RXWWFKMCPAEPEK-UHFFFAOYSA-N 308.212 4.841 30 20 DJED N#CC1(CCCC[S@@](=O)Cc2ccc(Cl)s2)CCC1 899383976 DTMLBTSRIXGCCL-LJQANCHMSA-N 315.891 4.514 30 20 DJED Cc1ccc(NN=Cc2c(C)nn(-c3ccccc3)c2Cl)cc1 916250643 QZEGSMHPYILWEN-UHFFFAOYSA-N 324.815 4.589 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(C)s2)cc1OC(F)F 917043592 KCXFGYLIIODUQT-XQRVVYSFSA-N 324.348 4.563 30 20 DJED CCCCCCCC(=O)N[C@@H]1CCCOc2ccc(F)cc21 919706167 GKHLRUXAZHJIAM-MRXNPFEDSA-N 307.409 4.516 30 20 DJED N#Cc1ccc(C2CCN(C(=O)CCC3CCCCC3)CC2)cc1 1134496487 ZSCFQCSHMZGTIP-UHFFFAOYSA-N 324.468 4.625 30 20 DJED Cc1ccc(C)c([C@@H]2CCCN2c2nc(C#N)c(Cl)s2)c1 1162799805 LEHQJXHCUOWUDY-AWEZNQCLSA-N 317.845 4.627 30 20 DJED Cc1ccc([C@@H](C)CN(Cc2ccc(C#N)cc2)C2CC2)cc1 1180317760 NLPCFDNVKNJYRQ-KRWDZBQOSA-N 304.437 4.635 30 20 DJED CSc1ccc(Nc2nc(C#N)c(Cl)s2)cc1Cl 1185602933 KQSWVUINSUETJT-UHFFFAOYSA-N 316.238 4.787 30 20 DJED C[C@H](CC(C)(C)C#N)NCCn1c2ccccc2c2ccccc21 1204936835 BBKWMHPHCQTRNN-MRXNPFEDSA-N 319.452 4.712 30 20 DJED Cc1ccccc1[C@@H](C)CC(=O)O[C@@H](C)c1ccc(C#N)cc1 1265620744 SRSIMSDELPMNJE-HOTGVXAUSA-N 307.393 4.665 30 20 DJED CC[C@H](OC(=O)c1cc(C#N)cs1)c1cccc(Cl)c1F 1269569228 ZUNWQZJKRDLRNZ-LBPRGKRZSA-N 323.776 4.720 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2ccc(SC(C)C)cc2)c1 1275788624 WCMXVDAKRLBXNS-UHFFFAOYSA-N 310.422 4.620 30 20 DJED CC[C@@H](C#N)N(CC)C(=O)[C@H]1CC12CCC(C(C)(C)CC)CC2 1289300054 YZSGIZJYMJRZAD-ZEVUXNIQSA-N 318.505 4.770 30 20 DJED CCC[C@@H]1[C@H](C)CCCN1Cc1ccc(C#N)cc1OC(F)F 1307548502 WBPPGOMTSQMGNG-CZUORRHYSA-N 322.399 4.560 30 20 DJED CCC(C)(C)CNCc1cccc(OCc2cccc(C#N)c2)c1 1308371735 XLVHINYIQFAULR-UHFFFAOYSA-N 322.452 4.663 30 20 DJED Cc1ccc(O)c2c1[C@H](C)CC2=NNc1nc2ccccc2s1 1317756623 NDUHIXGQVDBPDC-LLVKDONJSA-N 323.421 4.634 30 20 DJED CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1sc(-c2ccccc2)cc1C#N 1355048933 IAQWLTLZRIJCDA-DNVCBOLYSA-N 324.449 4.907 30 20 DJED Cc1cc(C#N)cc(NC(=O)N[C@H](c2ccccc2)C2CCC2)c1 1476739714 NYSVNDXSVSYHHK-LJQANCHMSA-N 319.408 4.530 30 20 DJED CCC[C@H](CC(C)C)C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 1515788036 VTFDXHDZJAZNKX-QFBILLFUSA-N 314.473 4.930 30 20 DJED CCc1ccc(N(CC(C)C)C(=O)c2cc(C#N)ccc2C)cc1 1525123463 OGJGMCGTLZOHLQ-UHFFFAOYSA-N 320.436 4.732 30 20 DJED COc1ccc([C@@H](C)SCc2cc(C#N)ccc2F)cc1 1559364822 NQISLKYPZIKTFX-GFCCVEGCSA-N 301.386 4.700 30 20 DJED CC[C@@H](OC(=O)c1ccc(Cl)c(C#N)c1)c1ccc(C)cc1 1584308051 CYVPXXAPUYTEEO-QGZVFWFLSA-N 313.784 4.828 30 20 DJED CCC[C@H](CC1CCCC1)C(=O)Nc1ccc(OC)c(C#N)c1 1595804253 YBFAQPBHSTZGGH-OAHLLOKOSA-N 314.429 4.502 30 20 DJED C[C@H](CCN1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccccc1 1621132997 KTTCBYZOLFISME-COPCDDAFSA-N 318.464 4.952 30 20 DJED Cc1cc(C(C)(C)C)ccc1Oc1c(C#N)nnc2ccccc12 1639164099 DMXUEQYLXAKOHO-UHFFFAOYSA-N 317.392 4.900 30 20 DJED CCCN(Cc1ccc(CC#N)cc1)[C@H]1CCc2ccccc2C1 1652341607 QQCOPHKSIQIUMA-QFIPXVFZSA-N 318.464 4.522 30 20 DJED C[C@H](CCC#N)CN1Cc2ccccc2C[C@H]1c1ccccc1 1658871484 KHYARQKCHPKWCQ-UTKZUKDTSA-N 304.437 4.726 30 20 DJED O=C(O)c1ccc(NN=Cc2cccc3cc(Cl)ccc23)cc1 1776014648 XYDSQGHQUAARDV-UHFFFAOYSA-N 324.767 4.637 30 20 DJED CC(C)[C@H]1CCCCCC1=NNc1ccc(F)c(C(=O)O)c1 1776063211 GFSJYYYOARDTLJ-CYBMUJFWSA-N 306.381 4.528 30 20 DJED C=CCC1(C(=O)O)CCN([C@@H](C)c2ccc3ccccc3c2)CC1 1776157535 YWKFSBKENNCGHX-INIZCTEOSA-N 323.436 4.644 30 20 DJED CCCCCCCC[C@@H](C)C(=O)Nc1ccsc1C(=O)O 1776786132 OWZZVUZADQHDED-GFCCVEGCSA-N 311.447 4.772 30 20 DJED C=CCN(Cc1ccccc1)C(=O)c1cc2ccc(Cl)cc2[nH]1 24501128 LWGITMDWSGTSMT-UHFFFAOYSA-N 324.811 4.650 30 20 DJED C=C[C@H](CC(=O)N(CC)[C@H](CC)c1ccncc1)c1ccccc1 135498162 PHJQTIIJWVQIBZ-YLJYHZDGSA-N 322.452 4.741 30 20 DJED Cc1c([C@H](C)NCc2ccc(F)cc2C#N)oc2ccccc12 183589791 MKLPDKSMGVAOAG-ZDUSSCGKSA-N 308.356 4.603 30 20 DJED C=CCC[C@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccccc1 186141639 APBOAOPRVBPDRM-KXBFYZLASA-N 311.425 4.759 30 20 DJED CCCCCCCCC[S@](=O)Cc1nc(C)c(C)s1 190821868 NNWNEQAUIQQOAD-IBGZPJMESA-N 301.521 4.759 30 20 DJED CCC(C)(C)CNC(=O)Nc1ccccc1S[C@H](C)CC#N 191893498 MUSGPFZGOCRSOT-CYBMUJFWSA-N 319.474 4.639 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1c1ccccc1 274072403 RLHSSVJMOFOCSP-LJQANCHMSA-N 319.408 4.626 30 20 DJED C[C@@H](c1cc2ccccc2o1)N(C)c1ccc(Cl)c(C#N)n1 301502055 FGWGTHOASPAYDZ-NSHDSACASA-N 311.772 4.550 30 20 DJED OC(=Nc1ccc2nc(C(F)F)[nH]c2c1)[C@H]1CC12CCCC2 328877435 IPMKVMQHYAMAQL-SNVBAGLBSA-N 305.328 4.669 30 20 DJED C=C(CN[C@@H]1CCSc2ccc(OC)cc21)c1ccccc1 343474102 XHGOMAAPETXWGK-GOSISDBHSA-N 311.450 4.535 30 20 DJED C[C@@H](NCCCCC#N)c1ccc(-c2cccc(C#N)c2)cc1 376268537 DWBLHVSNPGGZHS-MRXNPFEDSA-N 303.409 4.570 30 20 DJED Cc1c(NCc2ccc(Cl)cc2C#N)cccc1-c1ncco1 427433857 DSXINCHBSKAZPO-UHFFFAOYSA-N 323.783 4.787 30 20 DJED CC(C)O[C@H](CSCc1cccc(C#N)c1)c1ccccc1 427687784 KBMQIXZBTDZCJV-LJQANCHMSA-N 311.450 4.958 30 20 DJED CN(CCCCC(C)(C)C#N)Cc1ccccc1C(F)(F)F 444588298 DBOCWYCTQMUKKL-UHFFFAOYSA-N 312.379 4.857 30 20 DJED N#CCC(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl 447629624 PAZLCZCCRPOVCR-UHFFFAOYSA-N 305.164 4.513 30 20 DJED C[C@@H](NC1CCC(C)(C#N)CC1)c1cccc(C(F)(F)F)c1 449067763 OBHCCMHNNQRCBP-UWTIGNOOSA-N 310.363 4.828 30 20 DJED CC[C@@H](c1ccccc1)N(CC)C(=O)[C@@H](C)c1cccc(C#N)c1 461991203 PPLBVOIFVZZIDD-JXFKEZNVSA-N 320.436 4.662 30 20 DJED C[C@H](N[C@@H]1c2ccccc2CCC[C@H]1C)c1cccc(C#N)c1 462842223 XMIFERHVXSUJOJ-XFQAVAEZSA-N 304.437 4.923 30 20 DJED C=C[C@@H]1CCCCN1Cc1coc(-c2ccc(Cl)cc2)n1 489440831 PZXOHQGNQBBLMY-MRXNPFEDSA-N 302.805 4.536 30 20 DJED CCN(C/C(C)=C\c1ccccc1C(F)(F)F)C[C@H](C)C#N 503953583 PLUQUIILAAFPIA-RNQWEJQRSA-N 310.363 4.590 30 20 DJED CC(C)(CCC#N)CN(Cc1ccc(C(F)(F)F)cc1)C1CC1 506584702 NHXDPJIFWZXOCW-UHFFFAOYSA-N 324.390 5.000 30 20 DJED CCN(C(=O)C[C@@H](c1ccccc1)C(C)C)c1ccc(C#N)cc1 510357173 WKGWOQHRWMZGAD-HXUWFJFHSA-N 320.436 4.741 30 20 DJED C=C[C@H](CC(=O)N[C@H](c1cccs1)C1CC1)c1ccccc1 533886808 TXKBOJSAAZNFEX-KUHUBIRLSA-N 311.450 4.675 30 20 DJED C=CCN(Cc1ncc(-c2ccccc2C)o1)Cc1cccs1 536017746 OXONETHXIOGOOU-UHFFFAOYSA-N 324.449 4.900 30 20 DJED C=C[C@H](CC(=O)N[C@@H](C)[C@@H](C)c1ccccc1)c1ccccc1 536171971 WVXVNRMBTFSIFC-FGTMMUONSA-N 307.437 4.655 30 20 DJED N#CCc1ccc(CNc2ccc(Cl)c(OC(F)F)c2)cc1 542222987 QIUURZDONRGJIF-UHFFFAOYSA-N 322.742 4.620 30 20 DJED C[C@@H](NCc1cc(C#N)ccc1F)c1ccc(F)c2ccccc12 551085345 AZVBUUDGMRKOTI-CYBMUJFWSA-N 322.358 4.840 30 20 DJED C=CCOc1ccc(CN[C@@H](CC(C)C)c2ccccn2)cc1 552322491 PFZLITYWEPSUAN-FQEVSTJZSA-N 310.441 4.523 30 20 DJED C/C=C\c1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1 561652473 RVVCDVVSHPBBRR-VGLFAYCPSA-N 304.393 4.746 30 20 DJED CCC[C@H](NC[C@@H](C#N)CCC#N)c1ccc(Cl)c(Cl)c1 569920021 CDVMTFXHIHGGIK-WBMJQRKESA-N 324.255 4.868 30 20 DJED Cc1cc(CNc2cc(F)cc(C#N)c2)cc(C)c1OC(F)F 600861186 LJCCLWQLFBKBCW-UHFFFAOYSA-N 320.314 4.528 30 20 DJED CCCN(C(=O)c1ccc(C)s1)c1cc(Cl)ccc1C#N 609286196 MTNATECPPMQTJS-UHFFFAOYSA-N 318.829 4.638 30 20 DJED CC[C@@H](NC1(c2ccc(F)cc2)CCC1)c1ccc(C#N)cc1 618573117 KCVIUWDFBBIVNI-LJQANCHMSA-N 308.400 4.817 30 20 DJED C=CCC1(C(=O)N2CC(C)(C)[C@@H]2c2cccnc2)CCCCC1 648910186 GAOHJAPIGXWRCT-KRWDZBQOSA-N 312.457 4.518 30 20 DJED Cc1cc(C(=O)/C=C/c2ccc(-n3cccn3)cc2)cc(C)c1F 741467178 KZMYGSGGOROZIV-RMKNXTFCSA-N 320.367 4.524 30 20 DJED COc1ccc(C)cc1/C=C1/CSc2ccc(F)cc2C1=O 747150994 OUZGFTBWVGDWHP-JYRVWZFOSA-N 314.381 4.515 30 20 DJED C#CC[C@@H](NC(=S)Nc1cccc(C(C)C)c1)c1ccccc1 756858457 TZKGOZQTYDLFSU-LJQANCHMSA-N 322.477 4.861 30 20 DJED CCCCCCC[S@@](=O)Cc1cc(Cl)ccc1OC 764437719 IWVSQASPBHGJGW-LJQANCHMSA-N 302.867 4.568 30 20 DJED O=C(/C=C\c1ccc(Cl)c(C(F)(F)F)c1)c1ccco1 769771511 PJHKGZJZSCNPEP-XQRVVYSFSA-N 300.663 4.848 30 20 DJED C#CCCCCCC(=O)N1CCC(c2ccc(Cl)cc2)CC1 772965769 PDKSINDRXSQKCW-UHFFFAOYSA-N 317.860 4.630 30 20 DJED C[C@@H](C#N)Oc1ccccc1N[C@H](C)Cc1ccc(Cl)cc1 780744611 LJSFJOHLPDSVSX-KGLIPLIRSA-N 314.816 4.674 30 20 DJED Clc1cnc(NN=Cc2ccsc2Cl)c(Cl)c1 790145653 HATKVCWUKFWMAU-UHFFFAOYSA-N 306.605 4.549 30 20 DJED COc1cccc(/C=C\C(=O)c2cc(C)c(C)o2)c1OC(C)C 799895519 CKOZYWMJKFCNHS-KTKRTIGZSA-N 314.381 4.588 30 20 DJED Cc1cc(C)c(NC(=S)NCC(C)(C)CCC#N)c(Cl)c1 806597787 LWZSOKAHNTUQAK-UHFFFAOYSA-N 323.893 4.573 30 20 DJED CC(C)N(C(=O)CCCC#N)c1ccc(Nc2ccccc2)cc1 812925919 AFCBUHUQMUDJMB-UHFFFAOYSA-N 321.424 4.865 30 20 DJED CCC[C@@H]1CCC[C@@H]1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 835200409 JHKFUARUZLDAQF-RDBSUJKOSA-N 304.459 4.659 30 20 DJED CC(C)Oc1ccccc1C=NNc1nccc2sccc12 915980269 SAIIZQDOYLGAAS-UHFFFAOYSA-N 311.410 4.530 30 20 DJED COc1ccc(C(=O)/C=C\c2cccc(C(F)(F)F)c2)c(F)c1 916141172 CPHRBPJGSSIQPR-YVMONPNESA-N 324.273 4.749 30 20 DJED O=C1C(=Cc2cc(-c3ccccc3)cs2)C(=O)c2ccccc21 917516978 GRHWHQUFQBLRBC-UHFFFAOYSA-N 316.381 4.878 30 20 DJED COc1c(Cl)cc(Cl)cc1/C=C\C(=O)c1ccccc1 921260992 JWCVYKFLOOPHDQ-FPLPWBNLSA-N 307.176 4.898 30 20 DJED C[C@H](NCc1ccccc1C(C)(C)C#N)C(C)(C)c1ccccc1 1168825433 IIMRYRFHBIBOIV-KRWDZBQOSA-N 320.480 4.944 30 20 DJED CC(C)(C)c1ccc(C#N)c(N[C@H]2CCCc3sccc32)n1 1186034087 IWLLQADTIVCYGA-AWEZNQCLSA-N 311.454 4.802 30 20 DJED Cc1ccc(-c2csc(COc3cccc(C#N)c3)n2)cc1 1188521654 BROYMIJFWMPAQK-UHFFFAOYSA-N 306.390 4.569 30 20 DJED C[C@H](CC#N)NCc1ccccc1Oc1ccc(F)c(Cl)c1 1203522037 MRBBPGGANGAVLX-GFCCVEGCSA-N 318.779 4.663 30 20 DJED Cc1ccccc1[C@@H](NC(=O)c1ccc(F)c(C#N)c1)C(C)(C)C 1265760279 UHMRZIVGRDYCBP-GOSISDBHSA-N 324.399 4.523 30 20 DJED O=C(CC#Cc1ccccc1)N(c1ccc(F)cc1)C1CCCC1 1319135607 ZXPONYWPKBYHRF-UHFFFAOYSA-N 321.395 4.543 30 20 DJED CCn1nc(/C=C\C(=O)c2ccccc2SC)c2ccccc21 1321668700 QSBYRMFUXZARCL-SEYXRHQNSA-N 322.433 4.674 30 20 DJED C=C[C@H](Cc1nnc(C(C)(C)c2ccccc2)o1)c1ccccc1 1322515883 RSYCKYUELWSPGN-MRXNPFEDSA-N 318.420 4.908 30 20 DJED Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H](CCC#N)c1ccccc1 1337800512 NLBMKPHEGUERQU-NXHRZFHOSA-N 320.436 4.884 30 20 DJED CC(C)Cc1ccc(CCC(=O)Nc2ccc(CC#N)cc2)cc1 1348909323 HLHIYZJIIWWPFO-UHFFFAOYSA-N 320.436 4.522 30 20 DJED Cc1cccc(C)c1[C@H](C)OC(=O)C[C@@H](CC#N)c1ccccc1 1458064748 WEGVGEZBRZVIHZ-PKOBYXMFSA-N 321.420 4.995 30 20 DJED C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3ccc(CC#N)cc3)c21 1462950297 QOYPLVPJMROPHC-CQSZACIVSA-N 318.420 4.790 30 20 DJED N#Cc1ccc(C(=O)N[C@@H](CC2CCCC2)c2ccccc2)cc1 1534409095 JUSBANNDDSNMBK-FQEVSTJZSA-N 318.420 4.610 30 20 DJED N#Cc1nc(Sc2ccc(Cl)c(F)c2)sc1Cl 1559230917 FNGMGWWLFZSZEH-UHFFFAOYSA-N 305.186 4.612 30 20 DJED N#Cc1ccnc(SCCc2c(Cl)cccc2Cl)c1 1559359898 YMJYJEGOFJQZKY-UHFFFAOYSA-N 309.221 4.595 30 20 DJED CCCC[C@H](CC)CCCN(C)C(=O)c1cccc(F)c1C#N 1585043184 LBNXLDASFKTGFO-HNNXBMFYSA-N 318.436 4.766 30 20 DJED Cc1ccccc1SC[C@H](C)CN1CCc2ccc(C#N)cc21 1654032249 KCMZTYZBPGVNDT-OAHLLOKOSA-N 322.477 4.658 30 20 DJED CCOC(=O)c1cccc(S[C@H](C)c2cccc(C#N)c2)c1 1656515412 KYLOKMKLEIPHFA-CYBMUJFWSA-N 311.406 4.588 30 20 DJED C[C@H]1CC(=Nn2c3ccccc3c3ccccc32)CC[C@@H]1C(=O)O 1776112946 QNDGBEZCOXRMSR-ZFWWWQNUSA-N 320.392 4.519 30 20 DJED Cc1ccc(-c2ccsc2C(=O)Nc2cccc(C#N)c2)cc1 8061180 JZMWJRQLQRGURI-UHFFFAOYSA-N 318.401 4.848 30 20 DJED O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 16406922 GCAMNDUFFSLUIJ-VAWYXSNFSA-N 303.317 4.644 30 20 DJED CCc1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)sc1C 25437912 ZDDLWJJKUCCHCJ-UHFFFAOYSA-N 312.438 4.672 30 20 DJED C[C@H](Nc1ccc(Br)cc1F)c1cccc(C#N)c1 37198674 YQAOSIJGYZBXCE-JTQLQIEISA-N 319.177 4.633 30 20 DJED C[C@H](NC(c1ccccc1)c1ccccc1)c1ccc(C#N)cc1 74334586 IGEZCNCEOIBCIB-KRWDZBQOSA-N 312.416 4.998 30 20 DJED N#Cc1csc(CNc2ccc(Cl)c(C(F)(F)F)c2)c1 93685610 MGEVSRUPCDXPNJ-UHFFFAOYSA-N 316.735 4.904 30 20 DJED Cc1ccc(NC(=O)C(C)C)cc1N[C@@H](C)c1ccc(C#N)cc1 173920043 FEBLPQMEBGAOKL-HNNXBMFYSA-N 321.424 4.634 30 20 DJED Cc1ccc(F)cc1CNc1ccccc1SCCC#N 187282150 MCISSNUAUIVHPH-UHFFFAOYSA-N 300.402 4.752 30 20 DJED C=CCC1(C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)CCC1 191935461 OSWSRKARVBWPOY-AWEZNQCLSA-N 320.502 4.841 30 20 DJED N#Cc1cccc(CNCc2ccc(Cl)c(C(F)(F)F)c2)c1 237826207 UPXNBWSKEIEVLD-UHFFFAOYSA-N 324.733 4.520 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCCCC1CCOCC1 279122847 UTCYLTNIYSNPDI-HNNXBMFYSA-N 318.486 4.700 30 20 DJED CSc1ccc([C@H](C)NC2CC(C#N)(c3ccccc3)C2)cc1 321152841 IRSHUKJBDJZNJZ-IJNIYJAUSA-N 322.477 4.683 30 20 DJED CC1(C)CC[C@H](/N=C(/O)c2ncoc2C2CC2)c2ccccc21 328747032 AUYWMNUDMPOSLV-HNNXBMFYSA-N 310.397 4.669 30 20 DJED N#CCC[C@@H](NCCc1ccc(F)cc1Cl)c1ccccc1 356145346 XBARKQHYEQHPKF-GOSISDBHSA-N 316.807 4.656 30 20 DJED C=CCCC[C@@H](C)NC(=O)c1c(Cl)cc(F)cc1Cl 432181225 ZLMGGAOPEZTZGY-SECBINFHSA-N 304.192 4.607 30 20 DJED N#C[C@@H]1CC[C@H](N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 442777739 AAZFYUTWJSHOTL-CCKFTAQKSA-N 310.828 4.711 30 20 DJED CC[C@H](NCc1ccc(F)c(Cl)c1)c1ccc(C#N)cc1 447531115 OMYADUONUYWQNN-KRWDZBQOSA-N 302.780 4.592 30 20 DJED CC(C)(C)[C@H](C#N)NC(=O)c1ccccc1Sc1ccccc1 464714855 VZRPLGYMICOEMF-KRWDZBQOSA-N 324.449 4.506 30 20 DJED C[C@H](c1ccc(Cl)c(Cl)c1)N(C)CCCSCC#N 466702573 CYYQTFXAHXXYHY-LLVKDONJSA-N 317.285 4.633 30 20 DJED CC(C)c1cnc(SCc2cc(F)ccc2C#N)n1C(C)C 468904569 KISBHLALRPDNPR-UHFFFAOYSA-N 317.433 4.890 30 20 DJED C=CCSc1ccccc1C(=O)NCc1ccc(CC)s1 485743424 RHSZDBJLDOIIGX-UHFFFAOYSA-N 317.479 4.519 30 20 DJED CC(C)[C@@H](C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 498104705 CGQWSHYHEPIGJP-CQSZACIVSA-N 308.381 4.581 30 20 DJED CCc1c(C)sc(NC(=O)[C@@H](C)CC2CCCC2)c1C#N 510838230 WAIQWFUCTCNSAT-NSHDSACASA-N 304.459 4.646 30 20 DJED CCOc1ccc(C#N)cc1N[C@@H](C)c1cccc(Cl)c1 516381909 UKACPCAASICQCB-LBPRGKRZSA-N 300.789 4.783 30 20 DJED C=CCCO[C@H](C)C(=O)N(CC(C)C)[C@@H](CC)c1ccccc1 518395979 VFLHWQCWPOPEOH-MJGOQNOKSA-N 317.473 4.604 30 20 DJED Cc1cc(SC2CCCCC2)ccc1NC(=O)[C@H](C)C#N 524067720 IFIGLHNJUQXCPM-CYBMUJFWSA-N 302.443 4.518 30 20 DJED COc1c(C)cnc(CS[C@@H](C)c2ccc(C#N)cc2)c1C 540725025 MQYBLALFYXFTHD-AWEZNQCLSA-N 312.438 4.573 30 20 DJED C[C@@H]1C[C@@H]1c1ccc(CN(Cc2ccc(CC#N)cc2)C2CC2)o1 542210455 SIXMORGJTPMURI-QRWLVFNGSA-N 320.436 4.634 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1)c1ccc(F)c2ccccc12 551007124 LKTHVHWGSQRBBJ-CQSZACIVSA-N 304.368 4.701 30 20 DJED Cc1cccc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c1C 561132039 PFNYJIJTQVCULF-HRAATJIYSA-N 304.437 4.903 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N(C1CC1)[C@H](C)c1ccccc1 583572055 PUUISCPLWQJQOO-OAHLLOKOSA-N 319.408 4.624 30 20 DJED N#CCCCCCC(=O)N1C[C@H](c2ccccc2)c2ccccc21 588165468 RWZUSRNEYCFHMO-LJQANCHMSA-N 318.420 4.639 30 20 DJED C[C@@H](NCC1(C#N)CC1)c1ccc(O[C@H](C)c2ccccc2)cc1 595680917 ITYNNEAMFCHBBG-IAGOWNOFSA-N 320.436 4.781 30 20 DJED N#C[C@@H]1CCC[C@H](Nc2ccccc2SCC(F)(F)F)C1 613252196 CHAFNWNXXJVAOM-NEPJUHHUSA-N 314.376 4.835 30 20 DJED C=CC[C@@H]1N(C(=O)N[C@@H](C)c2ccsc2)CCCC1(C)C 670174247 PTDGDYBGSBPLBH-ZFWWWQNUSA-N 306.475 4.585 30 20 DJED C=CCN(C(=O)c1ccc(-c2ccc(C)cc2)cc1F)C(C)C 730167753 GXHSBVJMLJUEDM-UHFFFAOYSA-N 311.400 4.838 30 20 DJED COc1ccc(/C=C\C(=O)C2CCCCC2)c(Cl)c1OC 730435136 XPZNULAMSBZIPM-NTMALXAHSA-N 308.805 4.520 30 20 DJED C=C1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1 731026458 BNKJAXBLTIWVFD-UHFFFAOYSA-N 307.422 4.515 30 20 DJED CCn1cc(/C=C\C(=O)c2ccc(C3CCCCC3)cc2)cn1 732528958 HUJIZZINAPECGN-JYRVWZFOSA-N 308.425 4.847 30 20 DJED C=CCN(CC1CCCCC1)C(=S)Nc1ccc(Cl)nc1 732626100 XTOAIWUHHIBZQX-UHFFFAOYSA-N 323.893 4.500 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2cc(C(F)(F)F)ccc2F)cc1 733205101 KMEHDJFBVRFATP-YVMONPNESA-N 319.257 4.612 30 20 DJED N#Cc1ccc(/C=C2/Cc3c(ccc(Cl)c3Cl)C2=O)s1 748997319 INERCPVRERQYHV-YVMONPNESA-N 320.200 4.749 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc(C#N)s2)c2ccccc12 748998652 NLPWDOWFVXRBQF-NTMALXAHSA-N 319.385 4.678 30 20 DJED O=C(/C=C/c1nc2ccc(F)cc2s1)c1cccc(F)c1F 761481784 XGXTUIZYLPPNLO-VOTSOKGWSA-N 319.307 4.610 30 20 DJED C#CC[C@@H](N[C@@H](CC)c1ccc(N(C)C)cc1)c1ccccc1 773115680 OEFMHEVKDXKNHL-LEWJYISDSA-N 306.453 4.558 30 20 DJED CC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1OC 776727296 VHSNEKAZXNBNFZ-ACJLOTCBSA-N 312.388 4.508 30 20 DJED CC(C)c1nc(C#N)c(NN=C2CC[C@](C)(c3ccccc3)C2)o1 780214551 RRZNKFUZDZQFMZ-IBGZPJMESA-N 322.412 4.579 30 20 DJED C#CCC1(C(=O)Nc2ccc3nn(C(C)C)cc3c2)CCCCC1 788451459 GPENUBZGSLCIIT-UHFFFAOYSA-N 323.440 4.530 30 20 DJED CC(C)C(=NNc1ccc2c(=O)[nH]ccc2c1)C1CCCCC1 789078081 XVMPOSCYULBJQC-UHFFFAOYSA-N 311.429 4.532 30 20 DJED CC(C)c1ccc(C2(O)CCC(=NOC/C=C\Cl)CC2)cc1 811672165 RXEHNBVJQNMOOX-UQJQUDPXSA-N 321.848 4.697 30 20 DJED CC(C)CC(CC(C)C)C(=O)[C@@H](C#N)c1nc2ccccc2o1 835077144 PSNVTLZZFSBPDZ-OAHLLOKOSA-N 312.413 4.712 30 20 DJED CC(C)CCCCCC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842940918 LLANIKQRNIWEOZ-CQSZACIVSA-N 304.459 4.803 30 20 DJED FC(F)(F)[C@H]1CCC[C@@H](C=NNc2cccc(Cl)n2)C1 853350332 QTLHBXOCXKMXQU-ZJUUUORDSA-N 305.731 4.501 30 20 DJED CC(=NNc1ccc(C(F)(F)F)cn1)c1cc(C)ccc1C 915917763 NBJRIRQOOLWLBR-UHFFFAOYSA-N 307.319 4.553 30 20 DJED CC(=NN[C@H](C)c1ccccc1)c1sccc1Br 920382641 KFRACLPIQVYFJR-SNVBAGLBSA-N 323.259 4.585 30 20 DJED COc1c(Cl)cc(Cl)cc1/C=C\C(=O)c1ccc(O)cc1 921261442 PMAQVUHICPVNMR-DAXSKMNVSA-N 323.175 4.604 30 20 DJED Cc1ccc(C[C@H](N[C@H](C)CC(C)(C)C#N)c2ccccn2)cc1 925078396 LPWNHJITGBPHKJ-XLIONFOSSA-N 321.468 4.592 30 20 DJED Cc1c(C(=O)O[C@@H]2CC[C@@H](C#N)C2)oc2c1ccc1ccccc12 1122639215 JMGLEOVWNLZDCJ-UKRRQHHQSA-N 319.360 4.744 30 20 DJED CCCC[C@H](CC)CCCN(C)C(=O)c1sccc1C#N 1131220002 HDOSBCDVLWMZBF-AWEZNQCLSA-N 306.475 4.688 30 20 DJED CC(C)(CNCc1ccc(C#N)cc1)Cc1cccc(Cl)c1 1178184150 JHAAOPTZKDHMQU-UHFFFAOYSA-N 312.844 4.570 30 20 DJED CC[C@@H](c1ccccc1)N(CC)Cc1ccc(C#N)cc1OC 1190651809 QVWSULXFDYYNFR-IBGZPJMESA-N 308.425 4.540 30 20 DJED CC1(C)CCC(CC(=O)Nc2ccc(Cl)c(C#N)c2)CC1 1356441829 RDIWFGBITVNZDE-UHFFFAOYSA-N 304.821 4.757 30 20 DJED CC(C)[C@H](CC1CCCCC1)C(=O)N1CCc2cc(C#N)ccc21 1460816474 MCUCXJIWHBQQKM-IBGZPJMESA-N 324.468 4.690 30 20 DJED CC[C@@H](OC(=O)c1sccc1C#N)c1cccc(Cl)c1F 1517270150 LDHRXSTYZVNQKJ-GFCCVEGCSA-N 323.776 4.720 30 20 DJED Cc1ccc([C@@H]2CCCCN2Cc2ccc(F)cc2C#N)cc1 1559559918 AJCWINVFGNOSHY-FQEVSTJZSA-N 308.400 4.733 30 20 DJED N#Cc1c(F)cccc1N1CC=C(c2cccc3ccccc23)C1 1612183976 JDARTZWPYWJAON-UHFFFAOYSA-N 314.363 4.754 30 20 DJED N#Cc1ccc(C2CCN([C@@H]3CCCc4ccccc43)CC2)cc1 1620623352 UBIVARSWZBKLNK-JOCHJYFZSA-N 316.448 4.815 30 20 DJED Cc1cc(N[C@H]2C[C@@H](c3ccccc3)C[C@@H](C)C2)ncc1C#N 1640025986 XGIRUZUMGSODIX-DKSSEZFCSA-N 305.425 4.646 30 20 DJED C[C@H]1CCC[C@@H](CCN2CC=C(c3ccc(C#N)cc3)CC2)C1 1645154023 YFQRFUDJANQDBP-ROUUACIJSA-N 308.469 4.864 30 20 DJED CCCC[C@@H](CCC)CNC(=O)N[C@H](C)c1ccc(C#N)cc1 1667563525 AIBFRGCQRCNQRY-NVXWUHKLSA-N 315.461 4.525 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NC/C=C\c1ccc(F)cc1 1776783276 LUFBBMSQRBXQRW-ZEVQVBBLSA-N 321.436 4.632 30 20 DJED CC[C@@H](C#N)Oc1cccc(CNCc2cc(C)c(C)cc2C)c1 73012537 GCOWKBYYSUZHJB-FQEVSTJZSA-N 322.452 4.583 30 20 DJED C[C@H](Sc1nccnc1C#N)c1ccc(Cl)c(Cl)c1 78474427 NGIPMXGKJZPYFH-QMMMGPOBSA-N 310.209 4.508 30 20 DJED N#Cc1cc(F)ccc1CNC1(c2ccc(Cl)cc2)CCC1 104708103 SHOFROCELMRVEL-UHFFFAOYSA-N 314.791 4.520 30 20 DJED C=CC1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1 110365373 INBVNWDIKMZMNZ-KBPBESRZSA-N 324.251 4.522 30 20 DJED C#CCCCCC(=O)Nc1cccc(CSc2ccccn2)c1 119794762 ANEGWEBPAJGAAO-UHFFFAOYSA-N 324.449 4.506 30 20 DJED CCCCC[C@H](C(=O)[C@H](C#N)c1nc2ccccc2o1)C(C)C 176733518 VSOYKDWPOMQKCH-GJZGRUSLSA-N 312.413 4.857 30 20 DJED CCCOc1c(/C=C\C(=O)c2ccc(C)o2)cccc1OCC 212108705 KPWRNVVTTRUCPN-KHPPLWFESA-N 314.381 4.672 30 20 DJED COc1cccc2cc(/C=C3/CCc4ccccc4C3=O)oc12 215521130 JAALWFGQUFJCBM-KAMYIIQDSA-N 304.345 4.654 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1cc2ccccc2o1 255838462 CMFHOWFAYHIGCR-KTKRTIGZSA-N 308.381 4.723 30 20 DJED N#C[C@H]1CC[C@@H](N2CCC(Sc3ccc(Cl)cc3)CC2)C1 292721046 APXOAECJSUAKSQ-DZGCQCFKSA-N 320.889 4.589 30 20 DJED C[C@H](Nc1ccc(Cl)c(C#N)n1)c1ccc(F)cc1Cl 301296575 XVKLWGZPSOVESV-QMMMGPOBSA-N 310.159 4.572 30 20 DJED C[C@@H]1[C@@H](/N=C(/O)c2ccc3c(c2)N=C(O)C3(C)C)CCC[C@H]1C 328712308 BNTKRFARQHFCQN-XUJVJEKNSA-N 314.429 4.695 30 20 DJED Cc1c(Cl)cccc1/C(O)=N/C1(C(=N)O)CCC(C)(C)CC1 330943255 FISBRANDHPLLPA-UHFFFAOYSA-N 322.836 4.827 30 20 DJED CCCCCN(C(=O)Nc1ccc(C#N)cc1Cl)C(C)C 426157674 WPUGUSDQPGHEPE-UHFFFAOYSA-N 307.825 4.644 30 20 DJED Cc1cccc2cc(C(=O)Nc3ccc(C#N)cc3Cl)oc12 430368919 ZSXHMUYBYNDIKK-UHFFFAOYSA-N 310.740 4.519 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1cc(-c2cccnc2)ccc1C 439425046 QYOJVCNHBRUSLI-KRWDZBQOSA-N 309.413 4.533 30 20 DJED COc1ccc(C#N)cc1CN(C)[C@@H](C)c1cc2ccccc2o1 448050997 XNZMSIVZAQPQLQ-AWEZNQCLSA-N 320.392 4.506 30 20 DJED N#C[C@H]1CC[C@@H](SCCCCS[C@H]2CC[C@@H](C#N)C2)C1 450938543 ZDZCJDLQMPTEPQ-SYMSYNOKSA-N 308.516 4.618 30 20 DJED C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@H]1c1ccccc1C 460771183 NTEDPGRKIQSPIF-SFHVURJKSA-N 324.472 4.628 30 20 DJED Cc1ccc(-c2nc(COc3c(C)cc(C#N)cc3C)co2)cc1 462635224 BOKWILKSVZWQNH-UHFFFAOYSA-N 318.376 4.718 30 20 DJED C[C@H](CCC1CC1)NC(=O)c1ccccc1-c1ccccc1C#N 469775937 NSPIBNTUIWCPQO-OAHLLOKOSA-N 318.420 4.534 30 20 DJED CC(C)CC(CC(C)C)NC(=O)C[C@H](CC#N)c1ccccc1 475671674 XIDPOFDHCNNHHE-SFHVURJKSA-N 314.473 4.651 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1ccc(C)cc1OC 485303068 NVACWCMATDKVKI-UHFFFAOYSA-N 316.445 4.604 30 20 DJED C=CCCCCCS[C@H](C)c1ccc(S(C)(=O)=O)cc1 485564953 AGWUPPMNGGAFFP-CQSZACIVSA-N 312.500 4.631 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H]1CC1(C)C 489092249 QPCFYGCMAWYPNG-INIZCTEOSA-N 300.446 4.801 30 20 DJED C=CCn1c(SC2CCCCC2)nnc1-c1ccccc1F 494118397 CWSXJCWQQXXRFD-UHFFFAOYSA-N 317.433 4.695 30 20 DJED CCN(CCSc1cc(Cl)ccc1Cl)C[C@H](C)C#N 506062113 VWMKIEYEZHESAX-LLVKDONJSA-N 317.285 4.567 30 20 DJED CCN(Cc1cc(C#N)cs1)[C@H](C)c1cc2ccccc2o1 511896425 OIKRIDDUGDSVSH-CYBMUJFWSA-N 310.422 4.949 30 20 DJED CCc1nocc1CNc1ccc(Oc2ccccc2)c(C#N)c1 512709696 DQYIYOFGJVCVSL-UHFFFAOYSA-N 319.364 4.513 30 20 DJED CC[C@@H](c1ccccc1)N1CCC(Oc2cccc(C#N)c2)CC1 520608322 DGNSZFTWDLOSEQ-NRFANRHFSA-N 320.436 4.553 30 20 DJED Cc1cccc(Oc2ccccc2CNc2ncccc2C#N)c1 524670133 DAGDETGWMYCWNX-UHFFFAOYSA-N 315.376 4.666 30 20 DJED CC(C)(C)C[C@H](NCc1cccc(C#N)c1F)c1ccccc1 539256639 FVVDVDMKGHVMCI-SFHVURJKSA-N 310.416 4.964 30 20 DJED C[C@@H](NC(=O)C1CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 541998344 OKMSZOFSTSGSSG-OAHLLOKOSA-N 318.420 4.593 30 20 DJED CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NCCCSCC#N 584245470 DOIGFLKXVUDRGC-QGZVFWFLSA-N 324.921 4.534 30 20 DJED CC(C)[C@@H](CC(F)(F)F)N[C@@H]1CCCc2cc(C#N)ccc21 615096761 IRALZWDKRSAUHY-HZPDHXFCSA-N 310.363 4.502 30 20 DJED C[C@@H]1CC[C@@H](N[C@@H]2CCc3cc(C#N)ccc32)c2ccccc21 618804057 JUDKKGAPSVOOEX-XMDBHEJHSA-N 302.421 4.774 30 20 DJED C=CCN(C(=O)c1ccc(OC2CCCC2)cc1)c1ccccc1 642137329 NNJQLMSSTPMEMD-UHFFFAOYSA-N 321.420 4.841 30 20 DJED Cc1cc(/C=C\C(=O)c2ccc(OC(F)F)cc2)ccc1F 729149007 GNBFNMNNLXDOPU-OQFOIZHKSA-N 306.283 4.632 30 20 DJED CCC[C@H](/N=C\c1c(O)ccc2ccccc12)c1ccccn1 729150393 VBTKFRCVSHWPBM-GFHXCNCHSA-N 304.393 4.901 30 20 DJED O=C1/C(=C/c2cc(C(F)(F)F)ccc2F)Cc2c(F)cccc21 733206198 CUSDOGGPPHBOJR-UXBLZVDNSA-N 324.248 4.806 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)[C@@H](C#N)c1nc(C)cs1 734079498 RBRZBGKEZVQAIA-LSDHHAIUSA-N 304.459 4.624 30 20 DJED C=C(Cl)CNC(=O)Nc1cccc(COCCCCCC)c1 736964970 PSKYOTVBOGTRFS-UHFFFAOYSA-N 324.852 4.658 30 20 DJED C=CCN(C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(C)C 737495264 LMSYNOWLFOORNG-ZDUSSCGKSA-N 313.363 4.622 30 20 DJED CCCCCC[C@@H](C)CC(=O)N[C@@H](C)c1cccc(C#N)c1 743776189 WIRLRTYBQFJHHM-CVEARBPZSA-N 300.446 4.732 30 20 DJED CC(=NNc1cccc2ccccc12)c1ccccc1[N+](=O)[O-] 747060506 UHXTVPCHGDPIFG-UHFFFAOYSA-N 305.337 4.584 30 20 DJED C#Cc1cccc(N(C(=O)[C@H]2C[C@@H]2c2sccc2C)C(C)C)c1 747886793 VXFYWHAXFJRYBU-ROUUACIJSA-N 323.461 4.583 30 20 DJED CCOc1cccc2cc(C(=O)/C=C/c3ccc(C#N)s3)oc12 748997461 DXWBEAISQZRJRN-CMDGGOBGSA-N 323.373 4.661 30 20 DJED COCc1cccc(/C=C\C(=O)c2ccc3cc(O)ccc3c2)c1 748999949 BYVKZGUYUJMJOR-YHYXMXQVSA-N 318.372 4.588 30 20 DJED CCCCn1nc(C)c(/C=C/C(=O)c2ccsc2)c1Cl 749102606 VXTNGBPVMGCKJC-AATRIKPKSA-N 308.834 4.603 30 20 DJED Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1ccccc1C#N 755587230 QCEUJVVARZYKTD-MDZDMXLPSA-N 310.422 4.517 30 20 DJED CC(C)COc1ccc(C(=O)/C=C/c2nc(Cl)cs2)cc1 759076951 UOQDWRVXWODLNU-BQYQJAHWSA-N 321.829 4.727 30 20 DJED CC(=NNc1ccc(Cl)cc1Cl)c1ccc(C#N)s1 762441756 BPZDKXSZLUTNKX-UHFFFAOYSA-N 310.209 4.763 30 20 DJED CCCCCCC[C@H](NCc1cc(C)ncn1)c1ccccc1 773108252 UWEHXASUISISAM-FQEVSTJZSA-N 311.473 4.976 30 20 DJED CC(C)[C@@H](CN[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 776154125 NSPLRMZTLVJSSA-LAUBAEHRSA-N 322.452 4.679 30 20 DJED C[C@@H](C=NNc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 788991228 HTFDGDXFKIZSQK-LBPRGKRZSA-N 317.314 4.778 30 20 DJED CC(C)(C)c1cnc(/C=C/C(=O)c2ccc(F)c(F)c2)s1 790601189 KVYDESQBHWHBBQ-VOTSOKGWSA-N 307.365 4.615 30 20 DJED C#CC[C@@H](NC[C@@H](OC(C)C)c1ccccc1)c1ccccc1 794459577 DABBRXUIXKKDHT-NHCUHLMSSA-N 307.437 4.507 30 20 DJED CCCCCCC[C@H](C)N[C@H]1CCO[C@H](c2ccncc2)C1 824954077 OHSQNTIBAVIYDF-WDSOQIARSA-N 304.478 4.640 30 20 DJED C#Cc1cccc(N(C)C(=O)Nc2ccccc2C(C)(C)C)c1 847103826 ZFRGOOLOXCZSIA-UHFFFAOYSA-N 306.409 4.634 30 20 DJED Cc1cc(-c2ccccc2)ccc1NC(=O)c1cccc(C#N)c1 914732813 HRKRKPWASKFMTP-UHFFFAOYSA-N 312.372 4.786 30 20 DJED CCCCCCCCCC(=O)N1CCc2ccc(OC)cc2C1 920028700 LRGIAIVHYIXLPK-UHFFFAOYSA-N 317.473 4.721 30 20 DJED C=C[C@H](CC)CC(=O)Nc1ccccc1S[C@H](C)CC#N 932393047 UHTCOQBOUXNFAN-ZIAGYGMSSA-N 302.443 4.622 30 20 DJED CC(C)Cc1ccc(CC(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1 1126713405 ZHGMTCKFWIGQHT-INIZCTEOSA-N 321.420 4.604 30 20 DJED Cc1[nH]nc(NCc2ccc(-c3ccc(Cl)cc3)cc2)c1C#N 1178895501 NKYWTDGCXZWLPB-UHFFFAOYSA-N 322.799 4.522 30 20 DJED CCN(Cc1cc2ccccc2n1C)[C@@H](C)c1ccc(C#N)cc1 1180194905 NYHRNVTYFCBQAT-INIZCTEOSA-N 317.436 4.633 30 20 DJED COc1cc(CNc2ccc(C(F)(F)F)c(C)c2)ccc1C#N 1180489321 YBCFPECIPRLZBO-UHFFFAOYSA-N 320.314 4.506 30 20 DJED CCCCCC[C@H](C)c1nnc(COc2ccc(C#N)cc2)o1 1322128479 UNCPMYDMFCKBES-AWEZNQCLSA-N 313.401 4.594 30 20 DJED C=CC[C@@H](N[C@H]1CCCc2c1[nH]c1ccccc21)c1ccncc1 1346938049 LWPUBCOQBDKOTP-QUCCMNQESA-N 317.436 4.847 30 20 DJED N#Cc1c(NC(=O)CC2CCCCCC2)sc2c1CCCC2 1350252226 OPZXGSXGMVIARO-UHFFFAOYSA-N 316.470 4.798 30 20 DJED N#Cc1cccc(Br)c1NCCC1CCCCC1 1458097000 WEFIZTLRGJUUSD-UHFFFAOYSA-N 307.235 4.703 30 20 DJED CC[C@H]1CN(Cc2ccc(C#N)cc2F)CC[C@@H]1c1ccccc1 1461879464 FBPOUSCJHKRJNW-PXNSSMCTSA-N 322.427 4.713 30 20 DJED N#Cc1cnc(N[C@@H](CC2CCCC2)c2ccccc2)c(F)c1 1472737961 YZHRBJLFNWQXGC-SFHVURJKSA-N 309.388 4.826 30 20 DJED Cc1nc(N[C@H]2C[C@@H](c3ccccc3)C[C@@H](C)C2)ccc1C#N 1472804481 BKALNDZUMQKKNU-MDASCCDHSA-N 305.425 4.646 30 20 DJED N#Cc1ncccc1SCCc1cc(Cl)cc(Cl)c1 1473031411 WIQQGSCPBVIVMT-UHFFFAOYSA-N 309.221 4.595 30 20 DJED N#Cc1ccccc1Sc1ccc(NC(=O)CCC2CC2)cc1 1521544356 AHSFYLPOEZZEMU-UHFFFAOYSA-N 322.433 4.838 30 20 DJED CCC[C@@H](C(=O)Nc1scc(C(C)(C)C)c1C#N)C(C)C 1527545556 HVPLFCLVGAAKBJ-GFCCVEGCSA-N 306.475 4.928 30 20 DJED N#Cc1cccc(CN2CCCC[C@@H]2CCCc2ccccc2)c1 1559669542 IRWBCWUJCNIWJG-JOCHJYFZSA-N 318.464 4.936 30 20 DJED CC(C)c1ccc(C[C@@H]2CCN([C@H](C#N)c3ccccc3)C2)cc1 1559722993 JIDIKYWPILOQLA-SIKLNZKXSA-N 318.464 4.939 30 20 DJED CCNc1ccc(C#N)cc1NC(=O)C[C@@H](CC)c1ccccc1 1596040230 HPHMAUHHUCOOSA-MRXNPFEDSA-N 321.424 4.512 30 20 DJED CCCOc1ccc(Nc2snc(Cl)c2C#N)cc1C 1643009450 WMJAYMKNXRAXLB-UHFFFAOYSA-N 307.806 4.509 30 20 DJED CC[C@@H](Cc1ccccc1)N(C)c1nc(C(C)(C)C)ccc1C#N 1651571981 BFIGYVCQYKJGFD-SFHVURJKSA-N 321.468 4.708 30 20 DJED CC(C)(C)c1ccc(C#N)c(NC[C@H](c2ccccc2)C2CC2)n1 1651890299 DXBGPCHQXALEIK-GOSISDBHSA-N 319.452 4.856 30 20 DJED CCCC[C@@H](CC)CNC(=O)N[C@H](CCC#N)c1ccccc1 1674002206 NGCJFGDRXBPEPS-SJLPKXTDSA-N 315.461 4.547 30 20 DJED C=C(Cl)Cn1c(C2CCCC2)nnc1N(CC)C[C@@H](C)CC 1705753520 BXPGOPKGEXNREL-ZDUSSCGKSA-N 324.900 4.561 30 20 DJED O=C(/C=C\c1cccc(OCc2ccccc2)c1)c1cccnc1 33602214 SHVOSGOYECQDBH-QXMHVHEDSA-N 315.372 4.557 30 20 DJED Cc1ccc([C@H](C)Nc2cccc(OCCCC#N)c2)s1 37777428 HCAWJEVEZZXCNF-AWEZNQCLSA-N 300.427 4.912 30 20 DJED CCCOc1cc(C)ccc1CN[C@H](C)c1ccc(C#N)cc1 125928698 MGMSRQOIFRVCRC-MRXNPFEDSA-N 308.425 4.506 30 20 DJED C=CCC[C@H](NC(=O)N(CC)Cc1ccoc1)c1ccccc1 160508593 QJDWEKSNONXIDG-SFHVURJKSA-N 312.413 4.519 30 20 DJED CSc1cccc(N[C@H](C)c2ccc(OCC#N)cc2)c1C 272038225 PWVXOJDNBXHBKH-CQSZACIVSA-N 312.438 4.792 30 20 DJED CC[C@H](C)[C@H](C)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 303182449 KNFJVTWKQVVKRA-GJZGRUSLSA-N 322.408 4.515 30 20 DJED C=CCC(CC=C)C(=O)N[C@H](CC(F)(F)F)c1ccccc1 343974446 PUSBZBLOFJMHOY-OAHLLOKOSA-N 311.347 4.565 30 20 DJED C[C@@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)c2ccccc21 354694580 YOJZNKIONLPMRL-AEFFLSMTSA-N 318.420 4.614 30 20 DJED COc1ccc(CC[C@@H](C)N[C@@H](CCC#N)c2ccccc2)cc1 358344670 WUZAFHCBIZWUIR-UTKZUKDTSA-N 322.452 4.651 30 20 DJED CC[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 413642729 AOCGWKNSNGEFKO-GOSISDBHSA-N 321.424 4.761 30 20 DJED Cc1cccc([C@H](C)[S@@](=O)CCC2(C#N)CCCCC2)c1 417142437 FFVZISLGHBBEIW-KKSFZXQISA-N 303.471 4.669 30 20 DJED N#C[C@@H]1CC[C@H](Sc2nc3c(n2-c2ccccc2)CCCC3)C1 430126375 VNSZGVGQMZGPJY-ZBFHGGJFSA-N 323.465 4.535 30 20 DJED CC1(C)CCc2ccccc2[C@@H](NCc2cc(C#N)cs2)C1 441387339 VWELTRCRSSOQHL-SFHVURJKSA-N 310.466 4.813 30 20 DJED CC[C@@H]1CCCC[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 475372328 VAPPZKINDLVMNL-MOPGFXCFSA-N 312.457 4.512 30 20 DJED C=CCC1(C(=O)N2CCC(CCc3ccccc3)CC2)CCC1 478564091 VBPUMXAQTYWKOO-UHFFFAOYSA-N 311.469 4.604 30 20 DJED C=CCSc1ccccc1C(=O)Nc1cc(F)ccc1C 485755616 JFPMSSFLLDWUKS-UHFFFAOYSA-N 301.386 4.665 30 20 DJED C=C(C)CCc1noc(-c2coc(-c3ccccc3Cl)n2)n1 508671698 OICFAMLMCMSSGN-UHFFFAOYSA-N 315.760 4.554 30 20 DJED N#Cc1cnc(N2CCC[C@H]2c2ccccc2Cl)c(Cl)c1 513615860 VKTNJNBUYLWDLW-HNNXBMFYSA-N 318.207 4.602 30 20 DJED N#Cc1cccnc1N[C@@H](c1c(Cl)cccc1Cl)C1CC1 514831882 DBZPLTYQLVCBCN-OAHLLOKOSA-N 318.207 4.823 30 20 DJED N#Cc1ccc(CNc2ccccc2OC2CCCC2)c(F)c1 515664957 VIPHVCJHRJALPA-UHFFFAOYSA-N 310.372 4.631 30 20 DJED CC(C)n1cc([C@H](C)Nc2ccc(C(F)(F)F)cc2C#N)cn1 532626941 PDKSNGYTATZEAN-NSHDSACASA-N 322.334 4.528 30 20 DJED C=CCCCCCN(C)C(=O)Nc1cccc(SC)c1C 537111019 CZLVZBZQDLOKMK-UHFFFAOYSA-N 306.475 4.927 30 20 DJED CC(C)[C@H](NCc1ccc(F)cc1C#N)c1ccccc1Cl 540385837 JJJPDTARKGDMHU-SFHVURJKSA-N 316.807 4.838 30 20 DJED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccccc1C(F)(F)F 540605126 CNGXVXHQAVKFNA-OLZOCXBDSA-N 318.342 4.989 30 20 DJED N#CCCCCCC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 588371772 OCLNBMFPHCRZDO-SFHVURJKSA-N 318.848 4.771 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC(=O)C[C@H](C)CC(C)(C)C 604342722 QMFAIGYCBWRVLT-AWEZNQCLSA-N 316.445 4.746 30 20 DJED CC(C)(C)c1csc(CCNc2ccc(Cl)cc2C#N)n1 609192913 QCVCXKROZVEXJN-UHFFFAOYSA-N 319.861 4.620 30 20 DJED N#Cc1ccc(N2CC[C@H](c3ccccc3)C2)c(C(F)(F)F)c1 609961728 INUYWOZTQBQWQS-HNNXBMFYSA-N 316.326 4.571 30 20 DJED CCc1ccc([C@H](C)NCc2ccccc2C(C)(C)C#N)cc1 610859121 BTZCWHHWPZGUCQ-INIZCTEOSA-N 306.453 4.901 30 20 DJED N#Cc1ccc(CN[C@H]2CCCc3cc(F)ccc32)cc1Cl 619755149 UOJUHORZOOKHIF-SFHVURJKSA-N 314.791 4.518 30 20 DJED CC(C)C[C@@H](C)CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730416946 JJMINGVRWISQSI-DGCLKSJQSA-N 318.417 4.684 30 20 DJED CC(=NNc1cnnc2ccccc12)c1ccc2ccccc2c1 733748077 FRBQDPXBAAXYPR-UHFFFAOYSA-N 312.376 4.619 30 20 DJED C=CC[C@@H](C)NCc1c(C)nn(-c2cc(C)ccc2C)c1Cl 735085668 GRVTZBHXACSVDW-CQSZACIVSA-N 317.864 4.505 30 20 DJED O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)COC2 742436433 KDPHSEKXSVFPPG-FPYGCLRLSA-N 318.294 4.632 30 20 DJED COc1cc(/C=C/C(=O)c2cc3cc(C)c(C)cc3o2)ccc1O 749132885 SHXUJSMMDZMRGP-FNORWQNLSA-N 322.360 4.660 30 20 DJED C#CC[C@H](N[C@H](C)c1ccc2ccccc2c1O)c1ccccc1 756774914 FCCMLGBMAJRUAB-IERDGZPVSA-N 315.416 4.961 30 20 DJED Cc1ccc(OC(F)F)c(/C=C/C(=O)c2cc(F)ccc2F)c1 757473725 HBGUBAUFIHCGLF-ZZXKWVIFSA-N 324.273 4.771 30 20 DJED C#CC[C@@H](NC(=O)Nc1ccc(C)cc1Cl)c1ccccc1 757774069 XZWAOCDMZDNIBK-MRXNPFEDSA-N 312.800 4.535 30 20 DJED C=C[C@H](CC(=O)N[C@@H](CC)c1ccccc1OC)c1ccccc1 758401891 LORLHIIYPYKUJE-APWZRJJASA-N 323.436 4.622 30 20 DJED Cc1cc(/C=C/C(=O)c2oc3ccccc3c2C)cnc1Cl 760264261 RCZKBHTZCCSVPH-BQYQJAHWSA-N 311.768 4.994 30 20 DJED O=C(/C=C/c1cccc(OCc2ccccc2)c1)c1ccco1 769770412 IANVGSRMFSQKJZ-VAWYXSNFSA-N 304.345 4.755 30 20 DJED C=C(C)COc1cccc(NCc2occc2Br)c1 770557689 DIYYYTQUAYLUDA-UHFFFAOYSA-N 322.202 4.609 30 20 DJED C#CC[C@H](NCc1csc(CCC(C)C)n1)c1ccccc1 775397956 CCBSJCTXBQUDPT-SFHVURJKSA-N 312.482 4.586 30 20 DJED C#CC[C@@H](NCc1nc(-c2ccccc2)oc1C)c1ccccc1 775398845 CJNODFVGJSKUQP-LJQANCHMSA-N 316.404 4.504 30 20 DJED C#CC[C@H](N[C@@H](C)c1cc2cccc(OC)c2o1)c1ccccc1 776169294 GLCIQUCBUZYSGJ-YJBOKZPZSA-N 319.404 4.857 30 20 DJED CC(=O)Nc1ccc(C(=O)/C=C\c2cc3ccccc3s2)cc1 781553642 UOEXVQGZVQTTGQ-KHPPLWFESA-N 321.401 4.756 30 20 DJED CC(C)[C@H](CC(=O)OCCCC(C)(C)C#N)c1ccccc1 783462476 VLIJGCAXQFWHSI-KRWDZBQOSA-N 301.430 4.689 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCSc2c(F)cccc21 787032398 PCMFXDGOQBESOK-ROUUACIJSA-N 324.424 4.511 30 20 DJED COc1ccc(/C=C/C(=O)c2ccccc2Cl)c(Cl)c1 796968741 BXMNVQZKKBACIG-VQHVLOKHSA-N 307.176 4.898 30 20 DJED Cc1nn(C(C)C)cc1C=NNc1c(Cl)cccc1Cl 799111497 RSEWZJAVHBVNQP-UHFFFAOYSA-N 311.216 4.525 30 20 DJED FCCC[C@H]1CCCC1=NNc1nnc(-c2ccccc2)s1 814947086 AUMNQVKJFLOELP-GFCCVEGCSA-N 318.421 4.523 30 20 DJED CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2csc(C)c2)c1 834650657 OWLMCSFGSVPSAR-PBHICJAKSA-N 314.454 4.588 30 20 DJED CC1(CC(=O)[C@@H](C#N)c2nc(C3CC3)cs2)CCCCC1 842940338 BPUVJBRSORWNCT-CYBMUJFWSA-N 302.443 4.557 30 20 DJED C=CCC[C@@H](N[C@H](C)c1cccc(OC)c1O)c1ccccc1 846156990 QYYILOQFUGFWAB-CRAIPNDOSA-N 311.425 4.759 30 20 DJED Cc1cc(NN=Cc2ccc(C#N)cc2)nc2ccc(Cl)cc12 916543670 IMUYMKQJZYDPRP-UHFFFAOYSA-N 320.783 4.514 30 20 DJED Cc1ccc(C=NOCc2c(Cl)ccc3cccnc23)cc1 917397386 RIQRYAVFGKAYTH-UHFFFAOYSA-N 310.784 4.747 30 20 DJED CCC[C@@H]1CCC[C@@H]1C(=O)N(CCC)Cc1ccc(C#N)cc1 1124959309 UOTQITZNJJGDBL-MOPGFXCFSA-N 312.457 4.513 30 20 DJED CCC[C@@H](C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C(C)C 1126564666 MPWKFVAUMDKRDF-CYBMUJFWSA-N 312.335 4.588 30 20 DJED N#Cc1nc(N2CCC[C@H]2CCC2CCCC2)sc1Cl 1162812789 RQGJAAFMAXWSAS-LBPRGKRZSA-N 309.866 4.607 30 20 DJED COc1ccccc1N(CCC1(C#N)CCCCC1)C(C)C 1170806372 YCLOLPATHWYCPT-UHFFFAOYSA-N 300.446 4.774 30 20 DJED CC(C)(C)CN(Cc1ccccc1)c1ccc(Cl)c(C#N)n1 1185307049 UWFYUTZZTJJRHR-UHFFFAOYSA-N 313.832 4.659 30 20 DJED COc1cc(CNc2cc(SC)ccc2Cl)ccc1C#N 1203105400 PCDFQPRNAYHYCK-UHFFFAOYSA-N 318.829 4.554 30 20 DJED N#Cc1ccc(CN(Cc2cccc3ccccc23)C2CC2)cc1 1307606628 MJBOEXMUFYLLPF-UHFFFAOYSA-N 312.416 4.876 30 20 DJED C=C(Br)CN(CC(C)C)c1ccccc1Cl 1308002467 FTCLYRKDSFPUSM-UHFFFAOYSA-N 302.643 4.711 30 20 DJED COc1ccc(/C=C(\C)c2ccc3ccccc3n2)cc1C#N 1321259843 NLAUBBCDWRGUDF-SDNWHVSQSA-N 300.361 4.676 30 20 DJED CC1(C)CCC(C(=O)Nc2sc3c(c2C#N)CCCC3)CC1 1350252282 QSCDUUXTBQHXRZ-UHFFFAOYSA-N 316.470 4.653 30 20 DJED Cc1ccc(C(=O)N[C@@H](c2cccc(F)c2)C(C)(C)C)cc1C#N 1357816000 HYFCQFFFWSQHOH-SFHVURJKSA-N 324.399 4.523 30 20 DJED Cc1ccc(C#N)c(NCC2(c3ccccc3)CCCCC2)n1 1458084206 JKSYBVWGOHNIEM-UHFFFAOYSA-N 305.425 4.576 30 20 DJED CC1(C)[C@@H](CNc2nc(C#N)c(Cl)s2)[C@@H]1c1ccccc1 1458427165 LXVJRDPMRHAMHO-AAEUAGOBSA-N 317.845 4.520 30 20 DJED C[C@]1(c2ccccc2)CCCN(Cc2cccc(C#N)c2)CC1 1473463892 BQMKFPSCSVTWCW-NRFANRHFSA-N 304.437 4.502 30 20 DJED C[C@@H](CC(=O)N(C)c1cc(Cl)ccc1C#N)C1CCCCC1 1516249524 FFLJYLCIYUBHHJ-ZDUSSCGKSA-N 318.848 4.781 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)Nc1cccc(CC#N)c1 1525934001 NXNBCYDAVHHMCO-RDJZCZTQSA-N 318.420 4.681 30 20 DJED C[C@@H](OC(=O)c1ccc(C2CCC2)cc1)c1cccc(C#N)c1 1544194434 WYPAQGGPYDWODA-CQSZACIVSA-N 305.377 4.744 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@@H]1CNc1snc(Cl)c1C#N 1559089375 KHCWQYUDGJBBGB-ZYHUDNBSSA-N 311.882 4.933 30 20 DJED Cc1csc(Nc2cccc(Nc3cc(C)c(C#N)cn3)c2)n1 1559286139 NPUJNBROZIIJAE-UHFFFAOYSA-N 321.409 4.514 30 20 DJED CC[C@H]1CCC[C@H](CNc2cc(C#N)ccc2OC(C)C)C1 1620962532 IEAHFEHYNYMPHU-RDJZCZTQSA-N 300.446 4.974 30 20 DJED Cc1ccc([C@H](C)CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 1621132578 ZHZYZQOORWPODU-BVYCBKJFSA-N 318.464 4.870 30 20 DJED CC(C)(C)[C@H](Nc1ncc(C#N)cc1Cl)c1cccc(F)c1 1642445991 XNTGSNDGEGYDFC-OAHLLOKOSA-N 317.795 4.945 30 20 DJED N#Cc1cccc(Oc2ccnc(NC3CCCCCCC3)n2)c1 1651300548 JLEDDVLZLRXLRU-UHFFFAOYSA-N 322.412 4.665 30 20 DJED CC(C)CCN(CCC#N)Cc1csc(C2CCCCC2)n1 1652627198 BXCAVSXZPFXOJA-UHFFFAOYSA-N 319.518 4.953 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2CCC=C(c3ccccc3)C2)n1 1655465404 WRMFFYUYGSUWNX-UHFFFAOYSA-N 317.436 4.544 30 20 DJED Cc1cc(CN(C)Cc2cccc(Cl)c2Cl)ccc1C#N 1657368081 ZINOEPKFDHKCRV-UHFFFAOYSA-N 319.235 4.806 30 20 DJED CC(=NNc1ccc(C(=O)O)cc1)[C@H](C)c1ccc(Cl)cc1 1776012512 BESXYIISEJCUBY-NSHDSACASA-N 316.788 4.630 30 20 DJED O=C1/C(=C/c2csc(-c3ccc(F)cc3)n2)Cc2ccccc21 71813551 KZMRJEHOUYDXAX-GXDHUFHOSA-N 321.376 4.772 30 20 DJED CC(=O)Nc1cccc(C(=O)/C=C\c2ccc(C(C)C)cc2)c1 97993068 RZNDDLBUMGWUDY-XFXZXTDPSA-N 307.393 4.665 30 20 DJED C[C@@H](c1cccc(C(F)(F)F)c1)N(CCCCC#N)C1CC1 102397700 UZDPPCPQKWVWSR-ZDUSSCGKSA-N 310.363 4.925 30 20 DJED Cc1csc(-c2ccc(NCc3cccc(C#N)c3)cc2)n1 125030390 SROYHMOQZHMQCQ-UHFFFAOYSA-N 305.406 4.602 30 20 DJED O=C(/C=C/c1cnc(C2CCC2)s1)c1cc(F)cc(F)c1 157262144 WWJSOHLTWKTCAC-SNAWJCMRSA-N 305.349 4.585 30 20 DJED C[C@@H](C#N)Oc1ccc(CNc2cccc(C(F)(F)F)c2)cc1 157719280 BXVJBUNENHBHOQ-LBPRGKRZSA-N 320.314 4.608 30 20 DJED CCCOc1ccc(N[C@H](C)c2ccc(OCC#N)cc2)c(C)c1 182888239 JBZFPRRQSLOVKP-MRXNPFEDSA-N 324.424 4.859 30 20 DJED C[C@H](SCCOc1ccccc1C#N)c1nc2ccccc2o1 183268214 UEDWPHHQGBIYPH-ZDUSSCGKSA-N 324.405 4.573 30 20 DJED CCCOc1cc(/C=C\C(=O)c2cccc(F)c2)ccc1OC 206088113 RMILCCDSNKFHNK-CLFYSBASSA-N 314.356 4.519 30 20 DJED N#Cc1cccc(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)c1 230958130 VQJIELVZDKGDRS-UHFFFAOYSA-N 316.147 4.582 30 20 DJED COc1ccc2oc([C@H](C)Nc3ccc(C#N)cc3)c(C)c2c1 301194386 NLXDEKDCHHYZTI-ZDUSSCGKSA-N 306.365 4.795 30 20 DJED COc1cccc2cc([C@H](C)Nc3ccc(OCC#N)cc3)oc12 323869823 RGEZVDRNTNREEW-ZDUSSCGKSA-N 322.364 4.517 30 20 DJED Cc1ccc(N=C(O)c2coc(C3CCCCC3)n2)c2[nH]ncc12 328734136 IEOIUZNDKHHMSR-UHFFFAOYSA-N 324.384 4.543 30 20 DJED C/N=C(/O)C1CCC(/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 328990038 IAMXCOLBTKXHGV-BFHKSVSOSA-N 320.477 4.695 30 20 DJED CO[C@H](/C(O)=N/[C@@H]1CCCCC12CCCC2)c1ccc(O)cc1 329724973 GCQUFCVKGFLIQF-SJORKVTESA-N 317.429 4.539 30 20 DJED C[C@H](/N=C(/O)[C@H]1CC12CCCC2)c1ncc(-c2ccccc2)o1 329926078 KIRDWFWBFBIANR-DZGCQCFKSA-N 310.397 4.939 30 20 DJED CC(C)c1ccc(NC(=O)N[C@H]2CCC[C@@H]2C#N)c(C(C)C)c1 334035567 QMOOHHKHVFXTSN-WBVHZDCISA-N 313.445 4.747 30 20 DJED C[C@H](C(=O)Nc1sc(C(C)(C)C)cc1C#N)c1ccccc1 411009876 ZOSHKMLWSUJKGU-LBPRGKRZSA-N 312.438 4.659 30 20 DJED C[C@H](CCC#N)N[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 411723030 WAPZSKCNLOZJDB-DAXOMENPSA-N 310.363 4.623 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ncc(C(C)(C)C)s1 425363720 CSWYNSNRIKSLKX-ZDUSSCGKSA-N 313.470 4.505 30 20 DJED CSc1cccc(NC(=O)Nc2ccc(C#N)cc2Cl)c1 426124589 SWDQOWHBZDIHNO-UHFFFAOYSA-N 317.801 4.578 30 20 DJED CC[C@H](SCCC(=O)Nc1cccc(C#N)c1)c1ccccc1 437291464 LXOCIVTURIQXNX-SFHVURJKSA-N 324.449 4.771 30 20 DJED C[C@H](C(=O)NC1CCC2(CCCCC2)CC1)c1cccc(C#N)c1 462325257 NADQXPZYGOSBMJ-INIZCTEOSA-N 324.468 4.671 30 20 DJED C[C@@H](N[C@H](C)c1cc2cccc(F)c2o1)c1cccc(C#N)c1 474107979 SQFXREIWHDIRGV-CHWSQXEVSA-N 308.356 4.855 30 20 DJED C=CCN(C(=O)c1cc(F)c(Cl)cc1Cl)c1ccccc1 484230719 HOQAUBRAAZNFRA-UHFFFAOYSA-N 324.182 4.965 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1cc(C)ccc1F 484974709 SYBOXGADEVBWSA-UHFFFAOYSA-N 304.409 4.734 30 20 DJED C=CC[C@@H](C(=O)Nc1cccc2cccnc12)c1ccccc1 487522077 BSMTTYBIZGALMT-QGZVFWFLSA-N 302.377 4.533 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1ccc2ccn(CCC)c2c1 488498406 AXNXYZHYFJDUPM-KRWDZBQOSA-N 311.429 4.624 30 20 DJED C=CCCCCCN[C@H](C)c1nc2ccccc2n1C(F)F 489021459 UNHQWPLQICHOLA-CYBMUJFWSA-N 307.388 4.828 30 20 DJED CC(C)(CCCc1ccccc1)C(=O)Nc1ccc(C#N)cc1 495861337 IUVSKMDTVRSRPA-UHFFFAOYSA-N 306.409 4.546 30 20 DJED CC(C)(C)CCC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 505948158 NFMUPPKMMYAUIZ-CYBMUJFWSA-N 313.228 4.501 30 20 DJED C=CCN(CC=C)C(=O)N[C@@H](c1ccccc1)C(CC)CC 519076709 RYUJGQOZWNXRMQ-GOSISDBHSA-N 300.446 4.548 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccc2c(ccn2CC(C)C)c1 519171228 GUCJPYOUKGJMFZ-UHFFFAOYSA-N 313.445 4.727 30 20 DJED N#Cc1ccccc1SCc1ccc(OCC(F)(F)F)cc1 525083334 GBJPEIILJPYDLN-UHFFFAOYSA-N 323.339 4.792 30 20 DJED C=CCN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccccc1 525883219 KLAKHXFEADEEIZ-UHFFFAOYSA-N 324.380 4.551 30 20 DJED Cc1cc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)sc1C 536010849 RYJJFNKDRDXLJW-UHFFFAOYSA-N 318.467 4.848 30 20 DJED Cc1ccc2c(C3=CCN(CCC(C)(C)C#N)CC3)c[nH]c2c1 540669726 OLTITSXEVAUANM-UHFFFAOYSA-N 307.441 4.505 30 20 DJED C=CCC(C)(C)C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 551762376 RZXWCGJAPWOLIQ-UHFFFAOYSA-N 303.833 4.558 30 20 DJED C=CC[C@H](C(=O)Nc1ccc(C)c2c1CCCN2)c1ccccc1 552541958 QWUZOOAPHGGMMQ-KRWDZBQOSA-N 320.436 4.652 30 20 DJED C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCC(C)(C)CCC#N 575415215 AHAKRBDSSHKZPJ-ZDUSSCGKSA-N 312.379 4.556 30 20 DJED CC(C)[C@@H](CC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccccc1 610359262 HJEDCRKIFOOHBT-OXQOHEQNSA-N 320.436 4.565 30 20 DJED N#Cc1cc(Cl)ccc1SCc1c(F)cccc1[N+](=O)[O-] 610654688 ATPVYJYINQGQOV-UHFFFAOYSA-N 322.748 4.551 30 20 DJED CCc1ccc([C@H](CC)N[C@@H]2CCc3cc(C#N)ccc32)cc1 618803038 GRCYZNIGAOHKEB-LEWJYISDSA-N 304.437 4.849 30 20 DJED C=C(C)[C@@H](CC(=O)N(CCCC)[C@H](C)c1ccc(C)o1)OCC 677301994 UJDATNBAACNBJZ-SJLPKXTDSA-N 321.461 4.649 30 20 DJED C#Cc1cccc(NC(=O)N[C@H](C)c2ccc(SCC)cc2)c1 729033488 LJFDULUBJHVHLH-CQSZACIVSA-N 324.449 4.663 30 20 DJED FC(F)(F)c1ccc(NN=C2CCC[C@H]2c2ccccc2)nc1 732527984 PCQMIRFIDHJRIC-AWEZNQCLSA-N 319.330 4.836 30 20 DJED COCc1ccc(/C=C/C(=O)c2ccc(F)c(Cl)c2)cc1 741844673 RTGMFOVSKRQLDM-RMKNXTFCSA-N 304.748 4.522 30 20 DJED O=C(/C=C\c1cccc(-c2ccccn2)c1)c1ccc(F)cc1F 747697621 ZKOLWBWLNSSZLW-YFHOEESVSA-N 321.326 4.923 30 20 DJED CC(C)(C)c1ccc(C=NOCc2cccc(Cl)n2)cc1 760420996 NUPISFSLTJJLRB-UHFFFAOYSA-N 302.805 4.583 30 20 DJED CCC[C@H](C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)C(C)C 764637139 AUQGBDVYXJPXOP-STQMWFEESA-N 318.417 4.684 30 20 DJED COc1ccccc1-c1ccc(CN(CCC#N)CC(C)C)cc1 768153873 NUDCTFOCYIXWFR-UHFFFAOYSA-N 322.452 4.734 30 20 DJED C#CCCCCN[C@@H](C)c1ccc(-c2ccccc2OC)cc1 773039448 HFULCACMLSIUBE-KRWDZBQOSA-N 307.437 4.816 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N[C@@H]1CCN2CCC[C@H]2C1 775143520 RLKQMWYCNPRSFC-OTWHNJEPSA-N 322.537 4.506 30 20 DJED CC(=NOCc1ccc(C#N)cc1C)c1cc2ccccc2o1 776743697 SBVHPDHDZLQOGG-UHFFFAOYSA-N 304.349 4.554 30 20 DJED Cc1ccc2cc(C(=O)/C=C\c3scnc3C3CC3)oc2c1 782354671 NNKOUYABPPRICC-SREVYHEPSA-N 309.390 4.971 30 20 DJED C/C=C/C=C\C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782484208 DVJQHDDLOVCUMC-HJGOJMFGSA-N 316.404 4.535 30 20 DJED Cc1cc(/C=C2\CCc3cc(C#N)ccc3C2=O)cc2cccnc12 783711018 QNKQWFHUKQDMPF-XDHOZWIPSA-N 324.383 4.627 30 20 DJED Cc1c(C(=O)/C=C/c2cscc2Cl)cnn1C(C)(C)C 787186115 FMBJVKIMAYCUKM-AATRIKPKSA-N 308.834 4.558 30 20 DJED C[C@H](C=NOCCC(F)(F)F)c1ccc(C(F)(F)F)cc1 789051079 PXDCFODQCFWOBC-SECBINFHSA-N 313.241 4.764 30 20 DJED O=C1/C(=C\c2ccsc2Cl)CCOc2cc(F)ccc21 790222624 CJCPAAJFWWUHEG-CLFYSBASSA-N 308.761 4.589 30 20 DJED N#Cc1c(Cl)nsc1N[C@H]1CC[C@H](c2ccc(F)cc2)C1 795207672 URDPJRWJRSIARC-JQWIXIFHSA-N 321.808 4.555 30 20 DJED C=CC[C@@H](CC)NC(=S)Nc1ccc(Cl)cc1Cl 798376138 RYXZHMRHICTVSD-SNVBAGLBSA-N 303.258 4.635 30 20 DJED CC[C@H](Nc1cccc(OCCCC#N)c1)c1cccc(C#N)c1 902903382 VCPJCUCSFCQXKE-FQEVSTJZSA-N 319.408 4.804 30 20 DJED CC(=NNc1cccc(C)c1)c1sccc1Br 915049694 YZEOKFDABAHWGM-UHFFFAOYSA-N 309.232 4.655 30 20 DJED CCCCCCCC(=O)O[C@H](C)c1nc(-c2cccs2)no1 919222145 KCTPUXGJMKDADY-GFCCVEGCSA-N 322.430 4.763 30 20 DJED C[C@H](Sc1ccc(C#N)cn1)c1cccc(C(F)(F)F)c1 1163801643 JSQIUCCGNNVANH-JTQLQIEISA-N 308.328 4.825 30 20 DJED CCCCN(C(=O)Nc1cccc(C#N)c1C)C1CCCCC1 1310416236 ABPPBTRSZWKDCB-UHFFFAOYSA-N 313.445 4.833 30 20 DJED CC(C)(C)c1nnc(-c2cccc(Oc3ccc(C#N)cc3)c2)o1 1322948945 ACBYCTIJFAFJTM-UHFFFAOYSA-N 319.364 4.698 30 20 DJED CCCc1ccc(CCCC(=O)Nc2ccc(CC#N)cc2)cc1 1350787863 ZNAYLXUYFXBZIU-UHFFFAOYSA-N 320.436 4.667 30 20 DJED C[C@@H](c1ccccc1Cl)N(C)C(=O)CC1(C#N)CCCCC1 1355564659 ATGBGQOVRXCIHD-AWEZNQCLSA-N 318.848 4.724 30 20 DJED CC[C@@H](OC(=O)c1ccc(C)c(C#N)c1)C(C)(C)c1ccccc1 1435219572 DBPSJCKOSDDQCH-LJQANCHMSA-N 321.420 4.780 30 20 DJED COc1ccc(C#N)cc1CN(C(C)C)[C@@H](C)c1ccsc1 1460306258 WMJVNLAIERZJSX-AWEZNQCLSA-N 314.454 4.600 30 20 DJED CC[C@@H](C)[C@H](C)NCCC(C#N)(c1ccccc1)c1ccccc1 1473323815 UPCGLWHTFHBEHV-MOPGFXCFSA-N 320.480 4.911 30 20 DJED CC[C@H](C#N)[C@@H](OC(=O)/C(C)=C\c1ccco1)c1cccs1 1519365293 KLFHYTMFAPKHJS-HCGPIYGLSA-N 315.394 4.579 30 20 DJED CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)cc1 1523659623 ZLQASJYOWKMBBK-UHFFFAOYSA-N 312.800 4.761 30 20 DJED CC(C)C(C)(C)C(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@H](C)CC2 1527539701 ORCAWKAEXQQDPY-NEPJUHHUSA-N 318.486 4.926 30 20 DJED CCCC[C@@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)C(C)C 1556346108 JEMOQWPNFNAXEV-MRXNPFEDSA-N 313.445 4.533 30 20 DJED Cc1cccc(COc2ccc([C@H](C)N[C@H](C)CCC#N)cc2)c1 1559679326 ICASIGJCKUDXNZ-MSOLQXFVSA-N 322.452 4.917 30 20 DJED N#Cc1ccc(CN2CCC(CCc3ccccc3)CC2)c(F)c1 1561010879 YETNCJOAIPWIAL-UHFFFAOYSA-N 322.427 4.542 30 20 DJED Cc1cc(C(=O)Nc2ccc(Cl)cc2C#N)c(C)cc1Cl 1587283660 UGXPEZDBVLJWMW-UHFFFAOYSA-N 319.191 4.734 30 20 DJED Cc1nc(NC[C@H](c2ccccc2)C2CC2)c(Cl)cc1C#N 1612426080 QUEHUSFPOTYWAK-MRXNPFEDSA-N 311.816 4.521 30 20 DJED Cc1ccc(C(=O)Nc2ccc(Cl)cc2C#N)c(F)c1Cl 1617556924 NTAMAQFMEVUUSO-UHFFFAOYSA-N 323.154 4.565 30 20 DJED Cc1nsc(Sc2ccc(Cl)c(Cl)c2)c1C#N 1639551050 ABVOLSNFCYUWSJ-UHFFFAOYSA-N 301.223 4.781 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 1658351422 OZENGBMGUGNDNA-KCMWZYNZSA-N 302.849 4.648 30 20 DJED Cc1c(C#N)cccc1NC(=O)N1CCC(CCC(C)C)CC1 1669297157 OYEYENHWVVPKFW-UHFFFAOYSA-N 313.445 4.547 30 20 DJED CC(=NNc1c(C)cccc1Cl)[C@@H]1C[C@H](CC(=O)O)C1(C)C 1776060885 UMUQARPJFWAZHG-OLZOCXBDSA-N 322.836 4.573 30 20 DJED CCCCCCCCCC[C@H](C)Nc1ccc(C(=O)O)nn1 1776785173 GXWCTFIERQSIOQ-AWEZNQCLSA-N 307.438 4.506 30 20 DJED O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1ccco1 34868877 WUVPURWTUNVBIN-RAXLEYEMSA-N 304.345 4.755 30 20 DJED N#Cc1c(Cl)cccc1NCc1ccc(C(F)(F)F)cc1 59436730 MHYVCLVEHWOGQW-UHFFFAOYSA-N 310.706 4.843 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1C 60451264 XMNGBQKGPLVZLS-UHFFFAOYSA-N 305.830 4.538 30 20 DJED CCc1ccc(NC(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)cc1 118791104 DPOJWZJPGDUXIQ-OAHLLOKOSA-N 321.424 4.736 30 20 DJED CC[C@@](C)(C#N)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 136166732 YFPDYMFVCGCLNF-LBPRGKRZSA-N 305.592 4.525 30 20 DJED C=CCCC[C@@H](C)NC(=O)Nc1ccccc1CC(F)(F)F 179653045 GNRNJXGNNSSITI-GFCCVEGCSA-N 314.351 4.658 30 20 DJED C=CCC(C)(C)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C 297926080 ZSFOGCLMANXLDL-UHFFFAOYSA-N 316.445 4.520 30 20 DJED CC(C)(C#N)CCCC[S@@](=O)c1ccc(Cl)cc1Cl 322667580 DZOZMLXWABQXMN-LJQANCHMSA-N 318.269 4.821 30 20 DJED N#CCC[C@H](N[C@@H]1CCc2ccc(Cl)cc21)c1ccccc1 358343687 SYRGEFASFBBAAE-RBUKOAKNSA-N 310.828 4.962 30 20 DJED C=CC[C@@H](CC)NC(=O)c1sc(-c2ccccc2C)nc1C 410142944 NYMBSRWOXZJCQC-CQSZACIVSA-N 314.454 4.511 30 20 DJED CN(Cc1ccccc1N[C@H]1CCC[C@H](C#N)C1)c1ccccc1 435052552 IJUHSPHDVLYKCQ-HKUYNNGSSA-N 319.452 4.817 30 20 DJED CC[C@H](NCc1ccc(C)cc1SC)c1ccc(C#N)cc1 447578114 CWWHIJXPBMJCPB-SFHVURJKSA-N 310.466 4.830 30 20 DJED CC[C@H]1CC[C@H](C(=O)Nc2ccc(CC#N)cc2Cl)CC1 452653202 OHAGWLOPIQHQKV-MQMHXKEQSA-N 304.821 4.561 30 20 DJED C=CCCN[C@@H](c1cccc(SC)c1)c1cc(F)ccc1F 462177244 QCRXYUSNYRKCIT-SFHVURJKSA-N 319.420 4.942 30 20 DJED C[C@H](NCc1cccc(C#N)c1)[C@@H]1C[C@H]1c1ccc(Cl)s1 474473150 PULXJAJIYAPUBI-TUKIKUTGSA-N 316.857 4.555 30 20 DJED C=CCCC1(C(=O)Nc2ccc(OC(C)C)cc2Cl)CC1 476896609 SBCPPGKOSMZDBI-UHFFFAOYSA-N 307.821 4.812 30 20 DJED Cc1ccc2ccccc2c1C[S@@](=O)CCCC(C)(C)C#N 479997441 VDFQFSVSVNTXEQ-QFIPXVFZSA-N 313.466 4.727 30 20 DJED CN(Cc1ccc(Cl)s1)Cc1ccc(Cl)cc1C#N 480530546 RLQNUMXUWZPGIA-UHFFFAOYSA-N 311.237 4.559 30 20 DJED C=CCCCCCN(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 488293367 FWHBCAUXTYLODD-RBUKOAKNSA-N 305.437 4.724 30 20 DJED Cc1cccc(C)c1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 505835397 WTLRKGJOOWDNJX-SFHVURJKSA-N 320.436 4.596 30 20 DJED C[C@H](Sc1ccc(C#N)cn1)c1ccccc1Br 513325145 ODCXRBHATSQZBD-JTQLQIEISA-N 319.227 4.569 30 20 DJED CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 523438477 CBXBZORBAPPISW-BLLLJJGKSA-N 319.836 4.644 30 20 DJED CN(C(=O)C1(C#N)CCCCC1)c1ccc(-c2ccccc2)cc1 525202372 GJAYNTIQPGFZCL-UHFFFAOYSA-N 318.420 4.790 30 20 DJED C=C(C)[C@H](CC(=O)Nc1c(CC)ccc(Cl)c1CC)OCC 534463570 AUZGWXKTTPWZSM-INIZCTEOSA-N 323.864 4.775 30 20 DJED C=C[C@](C)(CC)C(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 557932144 ZETABMZNHZVTMW-FOIQADDNSA-N 324.424 4.653 30 20 DJED CC(C)[C@@H](CC1CCCCC1)C(=O)NCC(C)(C)CCC#N 570311344 NGCIDZYSVCZWNN-QGZVFWFLSA-N 306.494 4.675 30 20 DJED C[C@H](NC[C@H](c1ccccc1)C1CC1)c1ccc(C#N)c(F)c1 590255487 PZKJTOJWMPDDHD-IFXJQAMLSA-N 308.400 4.542 30 20 DJED CC1(C)CN(C(=O)CC2(C#N)CCCCC2)[C@H]1c1cccs1 596001712 AOFYIHAQIDINOM-INIZCTEOSA-N 316.470 4.522 30 20 DJED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCC1CC1 609643166 XNJNEFPYVSMMJD-UHFFFAOYSA-N 320.392 4.788 30 20 DJED CCC(C)(C)OCc1ccccc1N[C@H](C#N)Cc1ccccc1 612438247 OPFPVPSBOCZCLY-IBGZPJMESA-N 322.452 4.939 30 20 DJED CC[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)C1CCCCC1 619433477 HSOIIOMOMZQAGO-RBUKOAKNSA-N 312.457 4.549 30 20 DJED CC(F)(F)CCC(=O)Nc1cccc(C#Cc2cccs2)c1 642633522 OJLGCPIFXDMAOZ-UHFFFAOYSA-N 319.376 4.522 30 20 DJED CCCCCC[C@@H](C)CC(=O)N(C)Cc1ccc(C#N)cc1 727662952 ANCBFIJKSLEKDV-MRXNPFEDSA-N 300.446 4.513 30 20 DJED C#Cc1ccc(C(=O)Nc2ccc(SC(C)(C)C)cc2C)nc1 728822951 QVRCNNYOUAQLBF-UHFFFAOYSA-N 324.449 4.514 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(SC(F)F)cc2)cc1 734980390 KBJULEZXFIUASA-WCIBSUBMSA-N 320.360 4.906 30 20 DJED Oc1c(Cl)cc(Cl)cc1/C=N/[C@@H]1CSc2ccccc21 735414977 OZYYWXHFLNSDTB-BPGOPIFBSA-N 324.232 4.965 30 20 DJED CCC(C=NNc1c(F)cc(F)cc1Br)CC 741772375 SXJUDBKOXHHIGU-UHFFFAOYSA-N 305.166 4.561 30 20 DJED C[C@@H](OC(=O)[C@H](C)c1cccc(Cl)c1)c1cccc(C#N)c1 744100370 FKZOPDHKRJUWJR-CHWSQXEVSA-N 313.784 4.620 30 20 DJED COc1cc(C=NNc2ccc(Cl)cc2)ccc1SC 746484370 HKONVIGWXQGECA-UHFFFAOYSA-N 306.818 4.517 30 20 DJED CCC#C[C@@H](C)Sc1nn(-c2ccccc2)c(=S)s1 753862355 LSFSVVURIVXKAO-LLVKDONJSA-N 306.481 4.557 30 20 DJED O=C(/C=C\c1nc(Cl)cs1)c1ccccc1C(F)(F)F 759069728 BGBDOIZRSSGHMN-WAYWQWQTSA-N 317.719 4.711 30 20 DJED COc1ccc(CON=Cc2ccc(Cl)cc2)cc1Cl 763344224 CPTSIBHAVPSGML-UHFFFAOYSA-N 310.180 4.553 30 20 DJED CC(C)(C)Oc1ccc(C(=O)/C=C/c2ccc(C#N)s2)cc1 764921244 PFYXDDINRDHDGD-ZHACJKMWSA-N 311.406 4.693 30 20 DJED Fc1ccc(NN=Cc2c(Cl)ccc3cccnc23)c(F)c1 781115231 KCLFZEAMHQZALC-UHFFFAOYSA-N 317.726 4.612 30 20 DJED N#Cc1ccc(COC(=O)c2ccc(C(F)F)cc2)c(Cl)c1 784220559 XXMZDFUKJGIYJL-UHFFFAOYSA-N 321.710 4.506 30 20 DJED CCCCCCCCCS(=O)(=O)[C@H](C)c1cccs1 790171697 ZNHHZPSEZYVVPB-CQSZACIVSA-N 302.505 4.975 30 20 DJED CC[C@H](N[C@@H](C)c1cc(F)ccc1OC)c1cccc(C#N)c1 902753933 UYVHYIIEKAWWIJ-UGSOOPFHSA-N 312.388 4.508 30 20 DJED N#Cc1cccc(C(=O)Nc2ccc(-c3ccccc3)cc2F)c1 914734002 CLYDNPSGMWYTDX-UHFFFAOYSA-N 316.335 4.617 30 20 DJED CCCCCCCC(=O)Nc1ccc(OC(F)F)c(F)c1 917712035 FEYUVFAEONDYSC-UHFFFAOYSA-N 303.324 4.726 30 20 DJED CCCCCCCCCN(C)C(=O)NC[C@@H]1CC1(Cl)Cl 919653891 BBPXYICLCTXMHQ-ZDUSSCGKSA-N 323.308 4.572 30 20 DJED CCCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](C#N)C1 931047237 DRCKXSPWYXJDBU-OAHLLOKOSA-N 313.445 4.530 30 20 DJED N#Cc1ccccc1/C=C/c1nnc(-c2cc3ccccc3o2)o1 1117218432 NCIVGSORHZMWNO-MDZDMXLPSA-N 313.316 4.525 30 20 DJED N#Cc1cc2c(nc1S[C@@H]1CCc3ccc(F)cc31)CCCC2 1165462698 DFNGLMBUNNUJGK-GOSISDBHSA-N 324.424 4.751 30 20 DJED C=C(CNc1nc(-c2cccc(C)c2)ns1)c1ccccc1 1186639625 KPMSXBSQNSMQLX-UHFFFAOYSA-N 307.422 4.639 30 20 DJED N#Cc1cccc(CN2CCC(c3cccc(Cl)c3)CC2)c1 1203757957 XSGCLCFOLCROFA-UHFFFAOYSA-N 310.828 4.591 30 20 DJED C[C@H]1CCCC[C@@H]1CNc1c(C#N)cnc2c(Cl)cccc12 1306951781 RVTPDYYKGVIUFH-QWHCGFSZSA-N 313.832 4.998 30 20 DJED Cc1ccc(CN(Cc2ccc(C#N)s2)CC(C)C)c(C)c1 1307869786 HWMPBISVDWVCLO-UHFFFAOYSA-N 312.482 4.895 30 20 DJED C=C(Br)CN1CCCC[C@@H]1c1cccc(C)c1C 1473186173 JNUQFXAXCNTEQU-MRXNPFEDSA-N 308.263 4.739 30 20 DJED C[C@@H]1Sc2ccccc2N(Cc2ccc(F)c(C#N)c2)[C@@H]1C 1473245044 WZCRGYFGAPPPKP-OLZOCXBDSA-N 312.413 4.587 30 20 DJED Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C(C)(C)C)CC2)cc1C#N 1516565719 SICCZQHQXIRGFL-ZWKOTPCHSA-N 312.457 4.592 30 20 DJED C[C@@H](C#N)CNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 1559122858 UCLWWRJKGVDRJI-LBPRGKRZSA-N 322.799 4.522 30 20 DJED CCc1ccc2ccccc2c1CNc1ccc(Cl)c(C#N)n1 1612879818 SHRRKCGQJOIXNA-UHFFFAOYSA-N 321.811 4.934 30 20 DJED CC(C)(C)CN(CCC#N)CCSc1cccc(Cl)c1 1641834194 XKAMSEDCACWOFE-UHFFFAOYSA-N 310.894 4.694 30 20 DJED CN(Cc1c(Cl)cccc1Cl)[C@@H](C#N)c1ccccc1 1644423470 URWIVWUYINZRSI-INIZCTEOSA-N 305.208 4.690 30 20 DJED CCC[C@H]1CCc2ccccc2N1Cc1ccc(OCC#N)cc1 1644872137 FEANSOJMXXSKRN-IBGZPJMESA-N 320.436 4.710 30 20 DJED Cc1ccc(C#N)c(N[C@@H](c2ccccc2)C2CCCCC2)n1 1650629425 BZEXEYANYYCAMF-IBGZPJMESA-N 305.425 4.995 30 20 DJED N#Cc1c(F)cccc1OCc1c(Cl)oc2ccccc12 1656389278 WBVWWWCGQYUDCH-UHFFFAOYSA-N 301.704 4.676 30 20 DJED CCc1cc(Br)ccc1N[C@H]1CCC[C@@H](C#N)C1 1659434024 APHKTCDNSVKKMN-RISCZKNCSA-N 307.235 4.506 30 20 DJED CCC[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCC1 1667341611 HTBRZLWJXJKPOY-INIZCTEOSA-N 319.836 4.692 30 20 DJED C=CCC[C@@H](CC(C)C)C(=O)Nc1cc(C(=O)O)ccc1Cl 1776165914 HFWCWKLGAFOIMD-LBPRGKRZSA-N 323.820 4.605 30 20 DJED C=CCCC1(C(=O)O)CCN([C@@H](C)c2ccccc2Cl)CC1 1776167953 JJIHDKGYIOZGNW-AWEZNQCLSA-N 321.848 4.534 30 20 DJED CC(C)(C)c1ccc(/C=C/C(=O)c2ccc(C(=O)O)s2)cc1 1776272527 XOHWQTXOKBNJES-RMKNXTFCSA-N 314.406 4.640 30 20 DJED N#Cc1ccc(Oc2cccc(NCCC(F)(F)F)c2)cc1 77245942 RAYZGLBDTHDPIT-UHFFFAOYSA-N 306.287 4.715 30 20 DJED C=CCC[C@@H](CC)N[C@H](C)c1nc(-c2ccncc2)cs1 90045949 VSZXTBITWAQHJO-UKRRQHHQSA-N 301.459 4.601 30 20 DJED O=C1/C(=C/c2coc(-c3ccccc3)n2)CCc2ccccc21 109707397 PAPNQMZSEGICOM-FOWTUZBSSA-N 301.345 4.554 30 20 DJED C[C@H](NCc1cc(C#N)ccc1F)c1cccc2ccccc12 120123644 RVZHPAYQGGRDNQ-AWEZNQCLSA-N 304.368 4.701 30 20 DJED N#CCCCCSCc1cc(F)cc(Br)c1 161914364 IPKHEJOYBWODFE-UHFFFAOYSA-N 302.212 4.515 30 20 DJED C=C(Br)CN[C@H](C)c1cc(Cl)ccc1Cl 168216713 YCMWWFKSSOMWGP-MRVPVSSYSA-N 309.034 4.553 30 20 DJED O=C(/C=C/C=C/c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 199115218 RLLNMERMYJOHIU-KBXRYBNXSA-N 313.740 4.701 30 20 DJED C=CCN(C(=O)[C@@H](C)CCC)c1nc(-c2ccccc2)cs1 248296480 XOJDJIAEVMQLEH-AWEZNQCLSA-N 314.454 4.765 30 20 DJED N#Cc1cccc(Cl)c1NCc1cccc(C(F)(F)F)c1 303449759 JGENLTWWXJFLGX-UHFFFAOYSA-N 310.706 4.843 30 20 DJED CC(C)(C)c1csc(COc2cc(Cl)cc(C#N)c2)n1 312788539 GWNCNPZPRMEZDA-UHFFFAOYSA-N 306.818 4.545 30 20 DJED Cc1ccncc1/C(O)=N/[C@@H]1CC2(CCCC2)Oc2ccccc21 330154174 NIVZDEHGZLDEGI-QGZVFWFLSA-N 322.408 4.531 30 20 DJED Cc1cc(C)c(N/C(O)=N/[C@H](C)c2cccc(C)c2C)c(C)n1 331353303 ZYQPKGBZIAFBDU-OAHLLOKOSA-N 311.429 4.711 30 20 DJED Cc1ccsc1C(=O)Nc1scc(C(C)(C)C)c1C#N 410923337 BQOLAMMRYUIRGF-UHFFFAOYSA-N 304.440 4.540 30 20 DJED C[C@@H](CN[C@H]1CCCCc2cc(C#N)ccc21)CC(F)(F)F 414269224 ORTBSWZRSKLISJ-WBMJQRKESA-N 310.363 4.504 30 20 DJED COc1ccc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c(C)c1 417372311 VTTZWZGDXKXBFV-VFNWGFHPSA-N 320.436 4.604 30 20 DJED C[C@H](NCC1(CC#N)CC1)c1ccccc1OCc1ccccc1 430750562 BSOIZVTZGCQWHC-KRWDZBQOSA-N 320.436 4.610 30 20 DJED C=CCC[C@H](NC(=O)c1cccc2cc[nH]c12)c1ccccc1 435720869 FOWKULYDXOEDIZ-SFHVURJKSA-N 304.393 4.605 30 20 DJED CC1(C)CCCC[C@H]1C(=O)Nc1ccc(CC#N)cc1Cl 452649913 KKCRRZPVAQWEPR-ZDUSSCGKSA-N 304.821 4.561 30 20 DJED C=CCOCCCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H](C)CC 464002641 FEYMAILAWQMQRM-KBXCAEBGSA-N 323.864 4.526 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)CCCc1ccccc1Cl 464465030 WZHHKAUTMLWZFH-UHFFFAOYSA-N 320.864 4.594 30 20 DJED C=CCC(CC=C)C(=O)N[C@@H](C)c1ccccc1C(F)(F)F 467318127 MHGBLGKSLVBCOU-LBPRGKRZSA-N 311.347 4.651 30 20 DJED C=C[C@H]1CCCCN1C(=O)CCC[C@H](C)c1cccc(OC)c1 468821778 DSCNBHJGDAOPDA-WMZOPIPTSA-N 315.457 4.536 30 20 DJED C=C[C@@H](CC(=O)N(C)CC1(c2ccccc2)CC1)c1ccccc1 474209180 WEYBLHCCKZDLLU-SFHVURJKSA-N 319.448 4.537 30 20 DJED Cc1sc(NC(=O)c2ccc(C3CCC3)cc2)c(C#N)c1C 485638084 RYVPCYMSAFVQIE-UHFFFAOYSA-N 310.422 4.756 30 20 DJED C=C1CCN(C(=O)CC2(CCc3ccccc3)CCCC2)CC1 498370212 BWWCEUAWRZITGO-UHFFFAOYSA-N 311.469 4.748 30 20 DJED C=CCN(C(=O)c1cnc(-c2ccccc2)s1)c1ccccc1 514562677 SCAAGDLDPWDWQF-UHFFFAOYSA-N 320.417 4.643 30 20 DJED N#Cc1ccc2c(c1)[C@H](N[C@@H](c1ccccc1)C1CCC1)CC2 519794937 QJPVXRGYZLAFSK-RTWAWAEBSA-N 302.421 4.677 30 20 DJED C=CC[C@H](C)NC(=O)Nc1ccccc1O[C@H](C)c1ccccc1 523983003 VPZDIHUJSBRNFU-JKSUJKDBSA-N 324.424 4.913 30 20 DJED COc1ccccc1-c1ccc([C@H](C)NCCC(C)(C)C#N)cc1 540712038 IUSREDKIMIVWGH-INIZCTEOSA-N 322.452 4.953 30 20 DJED CC(C)[C@@H](NCc1cccc(C#N)c1)c1ccc(Cl)cc1F 540989920 ZRBGLLPESUYDJN-GOSISDBHSA-N 316.807 4.838 30 20 DJED C[C@@H](NC(=O)c1ccc(C2=CCCC2)cc1)c1ccc(C#N)cc1 562903307 AGHKXQXYCWJMBC-OAHLLOKOSA-N 316.404 4.617 30 20 DJED CCCC[C@H](C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 582457862 JJPOHANEVNZGCH-AWEZNQCLSA-N 323.396 4.510 30 20 DJED C=C(C)COc1cccc(NC(=O)N[C@@H](C)c2ccc(C)cc2)c1 589739177 JZWTVUFENSQISV-INIZCTEOSA-N 324.424 4.833 30 20 DJED CCC(C)(C)c1ccc(NC(=O)N2CCC[C@@](C)(C#N)C2)cc1 619211665 ABBGISOPHUHLLE-IBGZPJMESA-N 313.445 4.532 30 20 DJED CC(=NNc1ccc(C(=O)O)cc1)c1cccc(Cl)c1Cl 734976562 FCCRMJBEXLKBOY-UHFFFAOYSA-N 323.179 4.528 30 20 DJED CC/C(=C/C(=O)Nc1ccccc1C#N)c1cccc(Cl)c1 745977189 QHRXCNAIMZQHGN-QBFSEMIESA-N 310.784 4.644 30 20 DJED COc1ccc(OC)c(C(=O)/C=C/C(C)=C/c2ccccc2)c1 750897094 WDXNGSMHWVXKIR-PXELCPQFSA-N 308.377 4.546 30 20 DJED O=C(/C=C/c1cccc(-c2ccccn2)c1)c1ccc(Cl)nc1 759084646 VPWOYYFGQIJZDB-VQHVLOKHSA-N 320.779 4.693 30 20 DJED CC(C)c1ccc(CN(C)Cc2ccc(O[C@H](C)C#N)cc2)cc1 768172611 QZGQDJZSSQZICZ-QGZVFWFLSA-N 322.452 4.733 30 20 DJED CC(C)(C#N)CCCCOC(=O)c1ccc(Cl)cc1Cl 768374464 VLXOODWKUWFCLU-UHFFFAOYSA-N 314.212 4.870 30 20 DJED CCC[C@@H](Cc1ccccc1)N[C@@H](C)c1ccc(OCC#N)cc1 776157677 SVGFUGHSRSQTII-PXNSSMCTSA-N 322.452 4.651 30 20 DJED C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccc(C)s1 776800072 BMLNXHBUUIRFGG-ZDUSSCGKSA-N 317.479 4.826 30 20 DJED C=CCC[C@H](Nc1ccc(OC2CCOCC2)c(C)c1)C1CC1 777698129 RVBBYTPRZOBCDI-IBGZPJMESA-N 315.457 4.710 30 20 DJED C[C@@H](C#N)Oc1ccccc1N[C@H](C)C1CCC(F)(F)CC1 788980904 PDSAYDUQYZJSOP-QWHCGFSZSA-N 308.372 4.603 30 20 DJED CC[C@@](C)(C#N)C(=O)OCc1cc(Cl)c(Cl)c(Cl)c1 802806740 ZPMMFAOZGOPAHH-ZDUSSCGKSA-N 320.603 4.630 30 20 DJED Cc1ccc(C)c([C@H]2CCCN2c2nc(Cl)c(C#N)s2)c1 804553728 AORLNLFHBXYHCD-CYBMUJFWSA-N 317.845 4.627 30 20 DJED CCCCCCCC(=O)N[C@H](c1nc(C)cs1)C(F)(F)F 833141688 FHTJKSDWTKNIIZ-GFCCVEGCSA-N 322.396 4.532 30 20 DJED CCc1c(C(=O)/C=C\c2ccccc2[N+](=O)[O-])oc2ccccc12 916131939 OESDBCCQNDDGPW-QXMHVHEDSA-N 321.332 4.800 30 20 DJED CC(=NNc1ncnc2sc3c(c12)CCC3)C1CCCCC1 916309746 NOWYNWJMDDNYGR-UHFFFAOYSA-N 314.458 4.548 30 20 DJED CC(C)Cc1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)s1 1127022070 XUVWQCPLMCMDKO-CYBMUJFWSA-N 313.422 4.736 30 20 DJED N#Cc1cccc(CSc2nc3cc(F)ccc3s2)c1F 1166812089 XCZOWHCDBFNARP-UHFFFAOYSA-N 318.373 4.738 30 20 DJED C[C@H]1[C@@H](C)Sc2ccccc2N1Cc1ccc(C#N)s1 1167813363 WHFJSOZFXPEKLO-NWDGAFQWSA-N 300.452 4.509 30 20 DJED COc1cc2ccccc2cc1CN(CCC#N)CC(C)(C)C 1180030128 IMXPMCFUNYVJKM-UHFFFAOYSA-N 310.441 4.610 30 20 DJED C[C@@H](CN1CCC(c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 1184044395 AAJRDYLPDHGHOX-INIZCTEOSA-N 322.427 4.680 30 20 DJED CCC(CC)CN(CCC#N)Cc1cc(C)ccc1OC(F)F 1191367311 MKSCUPANVYHDHH-UHFFFAOYSA-N 324.415 4.748 30 20 DJED Cc1ccc([C@H](C)N(C)c2nc(C)c(C#N)cc2Cl)c(C)c1 1306941251 XRNDBCDPBNIFAY-AWEZNQCLSA-N 313.832 4.729 30 20 DJED C[C@@H]1C[C@@H](NCc2cc(C#N)cs2)C[C@H](c2ccccc2)C1 1308438562 SCFCTKDECVIZQM-BMGDILEWSA-N 310.466 4.682 30 20 DJED CC(C)(C)c1nnc(-c2ccccc2Oc2ccccc2C#N)o1 1322556876 JZICLSZVLNLKHL-UHFFFAOYSA-N 319.364 4.698 30 20 DJED C[C@H](NCc1ccc(C#N)cc1Cl)c1ccc(Cl)c(F)c1 1326072301 ZMGFCGRAKLGPFO-JTQLQIEISA-N 323.198 4.855 30 20 DJED CCCC[C@](C)(F)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 1344507080 MKUYTLKRFCNPLH-BZNIZROVSA-N 310.438 4.535 30 20 DJED N#Cc1ccc(-c2nnc([C@@H]3CC[C@@H]4CCCC[C@@H]4C3)o2)cc1 1345515034 YJKKGWRFDBIMLS-USXIJHARSA-N 307.397 4.682 30 20 DJED CCC1(CC)CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 1470116237 LAFZIDQSGKXHFQ-UHFFFAOYSA-N 312.457 4.530 30 20 DJED Cc1c(CNc2nc(C(C)(C)C)ccc2C#N)oc2ccccc12 1472695638 CYTCLTIWGMWPLR-UHFFFAOYSA-N 319.408 4.918 30 20 DJED N#Cc1ccc2c(c1)CCCN2Cc1cccc(C(F)(F)F)c1 1473508248 ZXHJJENHEQADIN-UHFFFAOYSA-N 316.326 4.530 30 20 DJED Cc1cccc2cc(C(=O)O[C@@H](C)c3cccc(C#N)c3)oc12 1518183809 ISBXCBOXZMKORJ-ZDUSSCGKSA-N 305.333 4.531 30 20 DJED CC1(C)CCC[C@@H](CNc2ccc(C#N)c(Br)c2)C1 1559213201 JDWQYXXWCXAMRB-GFCCVEGCSA-N 321.262 4.949 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)C3CCCCC3)c2C#N)[C@H](C)C1 1583689738 KIZKGOCPLOUEHM-NWDGAFQWSA-N 316.470 4.824 30 20 DJED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)Nc1cc(C#N)ccc1F 1596936979 VSYBJOWIAZSSEE-HIFRSBDPSA-N 322.383 4.625 30 20 DJED CC(C)(C)CCN(CCc1ccccc1)CCC(C)(C)C#N 1648152108 SMCHLEQMQYHTGK-UHFFFAOYSA-N 300.490 4.907 30 20 DJED Cc1ccc(SC[C@H](C)Nc2ccc(Cl)c(C#N)n2)cc1 1650980036 HRVCXWRMJYKTEQ-LBPRGKRZSA-N 317.845 4.508 30 20 DJED C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1Cc1ccc(Cl)cc1C#N 1654572072 CUTHWWOUODJFQX-SXGZJXTBSA-N 324.855 4.978 30 20 DJED Cc1cnc(C)c(Nc2ccc(Oc3ccccc3C#N)cc2)n1 1655025323 ZFOFQQCEFHATKE-UHFFFAOYSA-N 316.364 4.501 30 20 DJED CC(C)c1cccc(CNc2nc(C(C)(C)C)ccc2C#N)c1 1655387600 QWERQMVNFOLBKW-UHFFFAOYSA-N 307.441 4.986 30 20 DJED COc1ccccc1[C@@H](C)SCc1cn2ccccc2c1C#N 1656312425 HDGIEWGRPWPSOQ-CQSZACIVSA-N 322.433 4.814 30 20 DJED N#Cc1cccc(C(=O)Nc2cccc(Nc3ccccc3)c2)c1 98076375 BDCLFNNWJWHYSN-UHFFFAOYSA-N 313.360 4.554 30 20 DJED C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(Cl)c(Cl)c1 136223728 ZOXCOUUJPGSBBR-JTQLQIEISA-N 323.198 4.855 30 20 DJED CCCC[C@@H](CC)CC(=O)Nc1ccccc1O[C@@H](C)C#N 182036071 HZAVHGIISMHNTI-LSDHHAIUSA-N 302.418 4.522 30 20 DJED C=CC[C@H](C(=O)Nc1ccc(F)cc1Cl)c1ccccc1 185991408 MEXOZOOBHAAKJJ-AWEZNQCLSA-N 303.764 4.778 30 20 DJED C[C@H]1CCC[C@H](COc2cc(Br)ccc2C#N)C1 302469859 ZIMWIRAVWZMQRD-RYUDHWBXSA-N 308.219 4.526 30 20 DJED O/C(=N/[C@@H]1CCCCC12CCCC2)c1cc2ccccc2c(O)n1 329609447 IXLZUUNGIKGFBF-QGZVFWFLSA-N 324.424 4.748 30 20 DJED CCn1c2ccccc2c2cc(CN(C)[C@H](C)CC#N)ccc21 337670144 UCRUSWPAVZDPMR-OAHLLOKOSA-N 305.425 4.548 30 20 DJED C=CC[C@H](C(=O)N[C@H](C)CCCC(F)(F)F)c1ccccc1 427727783 SGDDMHSUQKCDKC-HIFRSBDPSA-N 313.363 4.584 30 20 DJED CC[C@H](Nc1cccc2c1OCC[C@H]2OC)c1ccc(C#N)cc1 448029265 PVONHQTZVKXBGZ-PKOBYXMFSA-N 322.408 4.591 30 20 DJED C[C@@H](C(=O)N[C@H](c1ccccc1)C(C)(C)C)c1cccc(C#N)c1 461930188 DENAWQJLADYUEB-DNVCBOLYSA-N 320.436 4.565 30 20 DJED CCCOCc1ccccc1CNc1c(Cl)cccc1C#N 462792269 QSMXMMMWURWMIG-UHFFFAOYSA-N 314.816 4.750 30 20 DJED Cc1c(Cl)cccc1NC(=O)C[C@@H](CC#N)c1ccccc1 474084830 SULZECDZEVZPNM-OAHLLOKOSA-N 312.800 4.675 30 20 DJED Cc1ccccc1O[C@H]1CCCC[C@H]1NCCCC(C)(C)C#N 484632456 ANICGVINKMBEHY-MJGOQNOKSA-N 314.473 4.605 30 20 DJED N#Cc1cc(F)ccc1CSCc1ccccc1OC(F)F 488462716 XQRAAKSTRYFYRX-UHFFFAOYSA-N 323.339 4.732 30 20 DJED CC1(C)CC[C@@H](NC(=O)c2ccccc2-c2ccccc2C#N)C1 509967618 DWCOXGMRSTXIRT-MRXNPFEDSA-N 318.420 4.534 30 20 DJED C=CCCc1csc([C@@H](C)n2cnc3cc(C)c(C)cc32)n1 534143980 LVOPXPMNUCCROJ-CQSZACIVSA-N 311.454 4.838 30 20 DJED CCC[C@H](NCc1ccc(CC#N)cc1)c1ccc(F)cc1F 542254732 VWEVHEBQGAXWJQ-IBGZPJMESA-N 314.379 4.662 30 20 DJED CC[C@@H](CC#N)Nc1ncnc2scc(-c3ccc(C)cc3)c12 545871650 RVSIVZHONRNQAW-AWEZNQCLSA-N 322.437 4.771 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@H]2Nc1cccc2ccncc12 555418302 GNYVKWLVHVURQB-HXUWFJFHSA-N 313.404 4.986 30 20 DJED C[C@H](NC[C@@H]1C[C@H]1c1ccccc1)c1ccc(C#N)cc1Cl 569024956 RJPOKZIWFASUIX-OWQGQXMQSA-N 310.828 4.666 30 20 DJED N#CCC1CCN(c2ncc(-c3ccc(Cl)cc3)s2)CC1 591153029 MXWMIZWBRBXSJO-UHFFFAOYSA-N 317.845 4.594 30 20 DJED C=CCN(CCc1ccccc1)Cc1ncc(-c2cccs2)o1 597073273 GIZDRESVXQZTSQ-UHFFFAOYSA-N 324.449 4.634 30 20 DJED Cc1cccc2sc(C(=O)N[C@@H](C#N)CC(C)C)c(Cl)c12 608821420 WEJRKQCJAHAAIK-LLVKDONJSA-N 320.845 4.531 30 20 DJED Cc1ccc(-c2csc3ncnc(NCCCCC#N)c23)cc1 609143789 QYDBUTVRNCEKRF-UHFFFAOYSA-N 322.437 4.773 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](c1cccs1)C1CC1 611390115 CQSYLYITQZHDDB-MJGOQNOKSA-N 308.450 4.738 30 20 DJED Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCCc2cc(C#N)ccc21 611392410 QIBNWBLCXZCFDG-NHCUHLMSSA-N 302.421 4.521 30 20 DJED N#CC1(CN[C@@H]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 614995898 MBJCKYSELNFEST-IUODEOHRSA-N 309.240 4.523 30 20 DJED N#CC[C@H](CC(=O)Nc1ccc(C2CC2)cc1)c1ccccc1 619441749 OUEUHJFLSNBBCL-GOSISDBHSA-N 304.393 4.590 30 20 DJED C=CC[C@@H]1N(C(=O)c2cc3occc3s2)CCCC1(C)C 683457666 GGEFBMMNNQUEEB-HNNXBMFYSA-N 303.427 4.701 30 20 DJED CCCN(Cc1ccc(OCC#N)cc1)[C@H](CC)c1ccccc1 731211963 KYUUXOJHAWABQK-OAQYLSRUSA-N 322.452 4.952 30 20 DJED CC(CCC1CCCCC1)=NNc1ncnc2sccc12 731925115 QGXDKRBEKNYAJT-UHFFFAOYSA-N 302.447 4.840 30 20 DJED C=C(C)CN[C@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 742263389 BZYMWOVWGCGDGT-GOSISDBHSA-N 319.420 4.942 30 20 DJED CC(=NNc1ccc(Cl)cc1Cl)c1ccc2c(c1)COC2 743428223 PBVGYRIGDLLJLA-UHFFFAOYSA-N 321.207 4.860 30 20 DJED CC(=NNc1cc(Cl)ccc1Cl)c1sc(C)nc1C 751894868 DVVIGJZMOXYLNW-UHFFFAOYSA-N 314.241 4.903 30 20 DJED CC(C)Oc1ccc(C=NOc2ccccc2C(F)(F)F)cc1 754710314 SQXMXAVNZPEQQX-UHFFFAOYSA-N 323.314 4.906 30 20 DJED O=C(/C=C\c1ccc(Br)c(Cl)c1)c1ccco1 754826190 GGYFGXTVKNTOML-XQRVVYSFSA-N 311.562 4.592 30 20 DJED CC1(C)/C(=C/c2cnc(C3CCC3)s2)C(=O)c2ccccc21 760266626 XEEAAPJDAIURSR-MHWRWJLKSA-N 309.434 4.968 30 20 DJED CCC(CC)(CC)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 761167755 SJBRCRGFPORGEI-LBPRGKRZSA-N 318.417 4.828 30 20 DJED O=C1/C(=C\c2ccc(C(F)(F)F)s2)Cc2c(F)cccc21 761475811 GDLFVHWUCZMENN-VURMDHGXSA-N 312.287 4.728 30 20 DJED Cc1c([C@@H](C)OC(=O)C2(C#N)CCCC2)sc2ccccc12 767565147 REJYXIPMLRVYFR-CYBMUJFWSA-N 313.422 4.898 30 20 DJED CCCCCCCCCN(C)C(=O)N[C@@H](C)c1cnccc1C 771438231 FKGQWGCIVIRAOG-KRWDZBQOSA-N 319.493 4.843 30 20 DJED C=C(Cl)CN[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C 773005174 PRFZBSYSXYXQLP-NSHDSACASA-N 322.861 4.530 30 20 DJED C#CCCCCC(=O)N1CC[C@H](C)Sc2ccc(Cl)cc21 776310679 MVBOTYRWUGLKDU-ZDUSSCGKSA-N 321.873 4.751 30 20 DJED CC1(C=NNc2ncnc3sc(-c4ccccc4)cc23)CC1 782132666 GXIFSMGJMIRYRB-UHFFFAOYSA-N 308.410 4.556 30 20 DJED CC(=NNc1ccc(Cl)cc1Cl)c1scnc1C 915111573 KDNXSCWEVYDOBP-UHFFFAOYSA-N 300.214 4.594 30 20 DJED CSc1ccc(/C=C\C(=O)c2cccc(OC(F)F)c2)cc1 916127982 ARDPCROKAAUDKA-YFHOEESVSA-N 320.360 4.906 30 20 DJED Cc1ccc(-c2ccc(/C=C\C(=O)c3cn(C)nc3C)s2)cc1 920481065 UPXMMLVHKZRELQ-NTMALXAHSA-N 322.433 4.662 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccccc1C(C)(C)C 1130174756 UOKSJDXUKKXFSM-OAHLLOKOSA-N 320.436 4.689 30 20 DJED Cc1ccc(SC[C@H](C)Nc2cccc(F)c2C#N)cc1 1186157586 RHJLQFIAEXVYDF-ZDUSSCGKSA-N 300.402 4.599 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2Nc1nc2cccc(F)c2s1 1307143399 INMMXSKQDKKVGK-HNNXBMFYSA-N 323.396 4.797 30 20 DJED C=C(Br)CN1CC[C@@H](C)C[C@H]1c1ccc(CC)o1 1307498173 GTEWDLOJCCZPHD-RISCZKNCSA-N 312.251 4.524 30 20 DJED CC(C)(C)c1ccc(/C=C\C(=O)Nc2ccc(CC#N)cc2)cc1 1327760802 WJZLIBVLNGWVDY-JYRVWZFOSA-N 318.420 4.702 30 20 DJED N#Cc1ccc(CN2CCCc3c(Cl)cc(Cl)cc32)s1 1473530346 BCLQRIFTNIBDHO-UHFFFAOYSA-N 323.248 4.879 30 20 DJED N#Cc1cc(C(=O)Nc2ccc3oc4ccccc4c3c2)cs1 1524692291 AHYOWCRBZFUQFZ-UHFFFAOYSA-N 318.357 4.771 30 20 DJED CC[C@H](c1ccccc1)N(CC)C(=O)CC1(C#N)CCCCC1 1526144608 PLTDMRNYXMMHRA-GOSISDBHSA-N 312.457 4.850 30 20 DJED Cc1ccc(F)cc1[C@@H](C)OC(=O)c1ccc(C#N)c(Cl)c1 1535622650 LCYPCDAAHLYEAD-LLVKDONJSA-N 317.747 4.577 30 20 DJED N#Cc1cccc(NC(=O)N2CCCC3(CCCCC3)CC2)c1 1562143712 MFTFCLQVNBANIH-UHFFFAOYSA-N 311.429 4.527 30 20 DJED CCCc1ccc(CCCC(=O)Nc2cc(C)cc(C#N)c2)cc1 1583755153 UDDPKEPTVYBLTC-UHFFFAOYSA-N 320.436 4.781 30 20 DJED Cc1nc(NC2CCC(C3CCC3)CC2)c(Cl)cc1C#N 1612631346 ZMWIZEBROOOESX-UHFFFAOYSA-N 303.837 4.686 30 20 DJED C[C@H](CCN1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccccc1 1621132998 KTTCBYZOLFISME-QIJUGHKUSA-N 318.464 4.952 30 20 DJED CC1CCC(CNc2c(C#N)cnc3c(Cl)cccc23)CC1 1651428856 NVOJMBQKVGEXKX-UHFFFAOYSA-N 313.832 4.998 30 20 DJED COc1ccc(-c2cc(CSc3ccc(C#N)cc3)on2)cc1 1651771054 BPNQFHHBNAZJFC-UHFFFAOYSA-N 322.389 4.514 30 20 DJED CCOc1cc(C#N)ccc1OCc1ccc2ccccc2c1 1652402814 BJMPGMCEJCZWMZ-UHFFFAOYSA-N 303.361 4.689 30 20 DJED N#Cc1ccsc1NC(=O)c1ccc(C2CCCCC2)cc1 58991195 FDWKHQBAPFQYKC-UHFFFAOYSA-N 310.422 4.920 30 20 DJED Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC(C)(C)CCC#N 93821689 BRHATRMXTWJQGA-CQSZACIVSA-N 307.507 4.898 30 20 DJED COc1cccc(/C=C\C(=O)c2ccc3cc(OC)ccc3c2)c1 97475327 GGQNSEKBLAIFSQ-WDZFZDKYSA-N 318.372 4.753 30 20 DJED COc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1Cl 112525281 JZUFOZFPCCPXFY-CHWSQXEVSA-N 314.816 4.632 30 20 DJED C=C[C@H](CC(=O)Nc1ccc(-c2ncco2)cc1)c1ccccc1 153076847 VNFIPZNCMCWKOF-OAHLLOKOSA-N 318.376 4.640 30 20 DJED N#CCCCOc1cccnc1NCc1cc2ccccc2s1 162230344 IINCROIELFVHGT-UHFFFAOYSA-N 323.421 4.591 30 20 DJED N#Cc1cc(F)ccc1NC(c1ccccc1)c1ccccc1 320546944 FFZOOELZOOWCJC-UHFFFAOYSA-N 302.352 4.899 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1ccc(C(C)(F)F)cc1 339982594 VEFCOXMDELOEKN-UHFFFAOYSA-N 322.399 4.590 30 20 DJED CC[C@H](NCCCO[C@H](C)c1ccccc1)c1ccc(C#N)cc1 447516905 QNSOFZGEDPXRNM-UTKZUKDTSA-N 322.452 4.767 30 20 DJED CN(c1ccccc1NCc1ccc(F)c(C#N)c1)C1CCCC1 474419017 YKZSRRWCNJXIAC-UHFFFAOYSA-N 323.415 4.688 30 20 DJED C=CC[C@H](C(=O)Nc1cc(OC)c(C)cc1C)c1ccccc1 478574888 VHYVEQMMEALBGR-KRWDZBQOSA-N 309.409 4.610 30 20 DJED C=C1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CC1 487335866 NZIWLVCYRQRHBV-UHFFFAOYSA-N 324.251 4.594 30 20 DJED C=CC[C@H](C(=O)N[C@@H](CC)c1ccc(OC)cc1)c1ccccc1 487777756 RALKKVNNPUDFCA-PMACEKPBSA-N 323.436 4.622 30 20 DJED C=CCC[C@H](C(=O)Nc1ccc2nc(C)[nH]c2c1)c1ccccc1 489945379 AGNJCCBMRHRQFX-KRWDZBQOSA-N 319.408 4.560 30 20 DJED C=CC[C@@H](C)[C@H](C)NCc1ccnc(Oc2ccccc2F)c1 494460539 ZMUIEQXZIYZPQK-CABCVRRESA-N 314.404 4.703 30 20 DJED CC(C)c1ccc([C@@H]2CCCCN2C(=O)CC(C)(C)C#N)cc1 502849473 MVNBPXPABNHCEA-SFHVURJKSA-N 312.457 4.803 30 20 DJED N#Cc1c(F)cccc1SCc1ccc([N+](=O)[O-])cc1Cl 574261325 RNNRSHANLFBINB-UHFFFAOYSA-N 322.748 4.551 30 20 DJED C=CCOc1ccccc1CNCc1cc(Cl)cc(Cl)c1 600809917 WULIZHVKCQQUKC-UHFFFAOYSA-N 322.235 4.848 30 20 DJED C[C@H](N[C@@H]1CCCc2ccc(Cl)cc21)c1cccc(C#N)c1 611193009 GVZNOFPVKAEAKI-ORAYPTAESA-N 310.828 4.940 30 20 DJED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)s1 618807302 UAKVLSRIPGFNAV-YGRLFVJLSA-N 302.830 4.611 30 20 DJED CC(=NNc1cccc(Br)c1)c1ccc(F)cc1C 731314885 XGCPSCHKDLDBEY-UHFFFAOYSA-N 321.193 4.733 30 20 DJED CC1(C)CC[C@@H](Nc2snc(Cl)c2C#N)c2ccccc21 746090160 RMBOMJZFXYMSSO-CYBMUJFWSA-N 317.845 4.893 30 20 DJED CCO[C@H](CC/N=C/c1cc(Cl)cc(Cl)c1O)C(C)C 746393935 MMYODXXCTKFAFA-UHPUNMKFSA-N 318.244 4.569 30 20 DJED C#Cc1cccc(NC(=O)N(CC)[C@@H](CC)c2ccccc2)c1 746660757 UTILRJCVEVYXCY-IBGZPJMESA-N 306.409 4.673 30 20 DJED C=C[C@@H](C)NC(=O)Nc1ccccc1SCc1ccccc1 757193730 RVDVBBSPAKMVAN-CQSZACIVSA-N 312.438 4.675 30 20 DJED O=C(/C=C/C=C\c1ccc(F)cc1F)c1cc(F)ccc1F 758016712 MWMCCGHPSPQVNB-HSFFGMMNSA-N 306.258 4.695 30 20 DJED CCCn1nc(C)c(/C=C\C(=O)c2oc3ccccc3c2C)c1C 759666732 OGSQKSPGKYJKOF-KHPPLWFESA-N 322.408 4.861 30 20 DJED O=C(/C=C/c1ccc(C(F)(F)F)s1)c1ccnc(Cl)c1 761479559 LXCCNKCINFDQCG-HNQUOIGGSA-N 317.719 4.711 30 20 DJED CCCCCCC[S@](=O)Cc1ccc(OC)c(Cl)c1 763283647 NFHOQBIWNWDGJE-IBGZPJMESA-N 302.867 4.568 30 20 DJED C#CCCCCC(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 773190398 NMKHLBZWVLTWLL-SNVBAGLBSA-N 316.203 4.503 30 20 DJED C=CCCOCCCCC(=O)N(C)c1ccc2ccccc2c1 775650428 CIPRCQMALPJSDB-UHFFFAOYSA-N 311.425 4.566 30 20 DJED O=C(/C=C\c1ccc(-c2c(F)cccc2F)o1)c1cscn1 776193187 PCQTYJKCHHDAFD-XQRVVYSFSA-N 317.316 4.577 30 20 DJED CCC(=NNc1cc(Cl)ccn1)c1ccc(Cl)s1 777907030 LRAVLHMTTYZFQK-UHFFFAOYSA-N 300.214 4.676 30 20 DJED O=C1/C(=C\c2ccc(Cl)s2)CCOc2cc(F)ccc21 781555597 LKESPQLUUYIISE-CLFYSBASSA-N 308.761 4.589 30 20 DJED CCCCCC[C@](C)(CCC)C(=O)N1CCC(CC#N)CC1 782055397 LDYLDHVLBZDJTB-IBGZPJMESA-N 306.494 4.915 30 20 DJED C#CCCCCNC(=O)c1ccc(C)cc1Sc1ccccc1 784069575 MZJFEGKOHSCZIY-UHFFFAOYSA-N 323.461 4.680 30 20 DJED CCCCCCCCC(=O)NCc1ncc(-c2cccs2)[nH]1 788141652 FDUGPIKPRCDOLM-UHFFFAOYSA-N 319.474 4.505 30 20 DJED CCOc1ccc(C(=O)/C=C/c2ccnc(Cl)c2Cl)cc1 791435514 UVKMIYLMKOQBTR-VMPITWQZSA-N 322.191 4.683 30 20 DJED CSc1ccc(C(=O)/C=C/c2cn(C(C)C)nc2C)cc1F 798370032 AEQASMMOBLMIEU-FNORWQNLSA-N 318.417 4.530 30 20 DJED C[C@H]1/C(=C/c2nc3ccc(F)cc3s2)C(=O)c2ccccc21 809159082 HZJDKMWTMMLHTH-AHEVQNHNSA-N 309.365 4.819 30 20 DJED Fc1cc(F)cc(C2CC(=NNc3cccc4cnccc34)C2)c1 814836394 PKGRAIVJOKYWQA-UHFFFAOYSA-N 323.346 4.859 30 20 DJED C[C@H](Nc1nc(Cl)c(C#N)s1)c1cccc(C2CC2)c1 828279839 CMIFNRONQAITGZ-VIFPVBQESA-N 303.818 4.719 30 20 DJED CC(CCCCC#N)=NNc1ccnc2cc(Cl)ccc12 841604007 HNZIPKSXXMLASB-UHFFFAOYSA-N 300.793 4.760 30 20 DJED FC(F)(F)[C@H]1CCC[C@H](C=NNc2ccnc(Cl)c2)C1 853397281 NGMMDFGMXIJPMQ-UWVGGRQHSA-N 305.731 4.501 30 20 DJED CC[C@H](N[C@H](CCC#N)c1ccccc1)c1cccc(C#N)c1 902884664 JWZSDOSPZACLLY-VQTJNVASSA-N 303.409 4.644 30 20 DJED Oc1nc2ccccc2cc1C=Nc1cccc(C(F)(F)F)c1 912773537 XNYJWFGDODASPK-UHFFFAOYSA-N 316.282 4.710 30 20 DJED C/C(C=NNc1ccc(C(F)(F)F)cn1)=C\c1ccccc1 915917451 BUSVIVXNQNRTPX-JAHZLAQOSA-N 305.303 4.602 30 20 DJED O=C(/C=C/c1cccc2c1OCO2)c1cc(Cl)ccc1Cl 915981537 RYAAUUSMKXNMIV-QPJJXVBHSA-N 321.159 4.618 30 20 DJED O=C(/C=C/c1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 917516887 CWJKVZNMJPEVEL-SNAWJCMRSA-N 322.147 4.798 30 20 DJED CCC[C@H](CC(C)C)C(=O)N(CCC)Cc1ccc(C#N)cc1 1124887864 ZGHDNAOTHZKBQS-LJQANCHMSA-N 314.473 4.759 30 20 DJED Cc1cccc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)c1Cl 1131371895 RKZOHCGCVKUOCW-UHFFFAOYSA-N 324.811 4.719 30 20 DJED CCCC[C@H](CC)COC(=O)CSCc1cccc(C#N)c1 1188669234 LYEUJWCPEOLSLA-HNNXBMFYSA-N 319.470 4.551 30 20 DJED CC[C@H]1C[C@H](Nc2ccc(Oc3ccccc3)c(C#N)c2)CCO1 1205493514 YGPKFHSJSXISED-MSOLQXFVSA-N 322.408 4.720 30 20 DJED CCN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(C)(C)C 1261357223 MGBSLSRTHVOXBU-UHFFFAOYSA-N 322.408 4.611 30 20 DJED N#Cc1ccc(C(=O)Nc2ccc3c(c2)CCCCC3)cc1Cl 1278157084 ZFFKLBCWPVSCOP-UHFFFAOYSA-N 324.811 4.733 30 20 DJED CC(C)c1ccc(C[C@H]2CCN(Cc3ccc(C#N)s3)C2)cc1 1307656556 VPJWXGQTWWEAJV-QGZVFWFLSA-N 324.493 4.808 30 20 DJED Cc1cccnc1[C@H]1CCC[C@@H](Nc2cc(F)cc(C#N)c2)C1 1308900488 FZNPRZGLZWDXCQ-DOTOQJQBSA-N 309.388 4.539 30 20 DJED N#Cc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)s1 1322374941 SUQQXXRCEGEGNR-UHFFFAOYSA-N 322.364 4.678 30 20 DJED N#Cc1ccccc1SCc1cccc(OC(F)(F)F)c1 1458946080 BKWJHHLOGUQTEJ-UHFFFAOYSA-N 309.312 4.749 30 20 DJED CC[C@@H](c1ccccc1)N(CCOc1cccc(C#N)c1)C(C)C 1460490686 MLSBYIYIOAOLHQ-NRFANRHFSA-N 322.452 4.799 30 20 DJED CCCc1c(NC[C@@H](C)C(C)(C)C)cnn1-c1cccc(C#N)c1 1462112479 WEOUXEKTOZZFIG-OAHLLOKOSA-N 324.472 4.791 30 20 DJED N#Cc1ccc(CN[C@H]2CCCCC23CCCC3)cc1Cl 1462146089 PUDYTUSJBZRNAM-KRWDZBQOSA-N 302.849 4.804 30 20 DJED CC[C@@H](C)[C@H](CNc1ccc(Oc2ccccc2)c(C#N)c1)OC 1474464312 MJZSLAFEUUWXKD-QRWLVFNGSA-N 324.424 4.824 30 20 DJED CC(C)(C)c1cccc(C(=O)Nc2ccc(C#N)cc2Cl)c1 1534932119 OHWMEEGWTJEZKY-UHFFFAOYSA-N 312.800 4.761 30 20 DJED C=C(CNC(=O)N[C@H]1CCC[C@@H](C(C)C)CC1)c1ccccc1 1564611458 WMWFSHVGOALEOH-MJGOQNOKSA-N 314.473 4.604 30 20 DJED CC[C@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)[C@H]1C 1617361597 VXWZWQIKKRPXMT-WMZOPIPTSA-N 304.437 4.846 30 20 DJED CC(C)c1ccc(CN(Cc2cccc(F)c2C#N)C2CC2)cc1 1621225579 PRCPACVEBKEXFO-UHFFFAOYSA-N 322.427 4.985 30 20 DJED CC[C@H](C)c1ccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 1625935246 QRGVWVAWJHYKFE-GJZGRUSLSA-N 306.409 4.563 30 20 DJED N#Cc1cccc(CN2CCCc3c(Cl)cc(Cl)cc32)c1 1646064952 QOAQXMQWLGQXBZ-UHFFFAOYSA-N 317.219 4.818 30 20 DJED Cc1ccccc1C[C@H](C)Nc1nc(C(C)(C)C)ccc1C#N 1650706464 OOGFNEMKJGLAEU-HNNXBMFYSA-N 307.441 4.602 30 20 DJED C[C@@H](CC(C)(C)C#N)Nc1ccc(Cl)c(OC(F)F)c1 1652001030 GIPVGYHNAOUUJC-VIFPVBQESA-N 302.752 4.682 30 20 DJED N#Cc1cccc2c1CCN2Cc1ccc(C2CCCC2)cc1 1654793559 PYMZWNGQSKIEDN-UHFFFAOYSA-N 302.421 4.779 30 20 DJED N#Cc1ccc(CN(C/C=C\c2ccc(F)cc2F)C2CC2)cc1 1659198663 ZIZFLTXICTUBOX-UPHRSURJSA-N 324.374 4.514 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 1660053711 PUPSNUXMJVNILO-DIJFTKHXSA-N 308.469 4.884 30 20 DJED CC(=NNc1ccc(Cl)cc1Cl)c1ccc(C(=O)O)cc1 1776029734 QOJSWYFUAQWSFT-UHFFFAOYSA-N 323.179 4.528 30 20 DJED CCc1nc(C)c([C@H](C)N[C@@H](CCC#N)c2ccccc2)s1 90664656 YQNCVZXYQULQOO-BBRMVZONSA-N 313.470 4.710 30 20 DJED CC(C)n1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cn1 171981086 PNSLKAMUDSZRII-ZZXKWVIFSA-N 309.196 4.667 30 20 DJED CC(C)(C#N)CCC[S@@](=O)Cc1ccc(Cl)cc1Cl 177940047 CFRKJUHMGUEYGL-LJQANCHMSA-N 318.269 4.572 30 20 DJED C(=NNc1ccccc1)c1ccc(C=NNc2ccccc2)cc1 254740387 SPKHFXGAGWFQOG-UHFFFAOYSA-N 314.392 4.579 30 20 DJED C#CCCCCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 281292897 YCYFFUZNDBTUOA-UHFFFAOYSA-N 304.604 4.779 30 20 DJED C[C@@H](NCc1ccc(C(C)(F)F)cc1)c1cccc(C#N)c1 293585196 CHCWXWXGQAFSDD-CYBMUJFWSA-N 300.352 4.521 30 20 DJED CC[C@@H](c1ccccc1)N(CC)C(=O)Nc1ccc(CC#N)cc1 299450943 WMKRNVSHKYFKTP-IBGZPJMESA-N 321.424 4.758 30 20 DJED Cc1nc(-c2ccccc2)sc1[C@H](C)Nc1cccc(C#N)n1 301298896 ZJGFNNFIRWLUKM-LBPRGKRZSA-N 320.421 4.558 30 20 DJED CCCn1ccc2ccc(N=C(O)[C@H]3CCC(=O)[C@H](C)C3)cc21 328905028 JTLXOVWNYAMLIO-HIFRSBDPSA-N 312.413 4.645 30 20 DJED CC(O)=Nc1ccc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)cc1 328987572 HJPJIBZFHMEKQS-ZTFGCOKTSA-N 314.429 4.840 30 20 DJED Cc1ccc([C@H]2CCCCCN2C(=O)c2cccc(C#N)c2C)o1 337866667 OJXVQTWDNIJSDK-GOSISDBHSA-N 322.408 4.526 30 20 DJED C=C[C@H]1CCCCN1C(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 428039559 RWOPUQCJYRPLAR-JTQLQIEISA-N 323.223 4.655 30 20 DJED N#CCCC[C@H](NC[C@H]1CCCC(F)(F)C1)c1ccccc1 433025724 AXDMMZSVRAEPKV-RDJZCZTQSA-N 306.400 4.837 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H]1c1cccc(N(C)C)c1 441486567 NLYXZSLEKCAHCN-KKSFZXQISA-N 319.452 4.522 30 20 DJED CN(C(=O)Nc1ccc(CC#N)cc1Cl)C1CCCCCC1 455751754 NKFZMARQRZJIDB-UHFFFAOYSA-N 319.836 4.593 30 20 DJED Cc1ccc([C@H]2CCCN2c2nc(C)c(C#N)cc2Cl)s1 461974156 SBVLGVSHKULOOH-CQSZACIVSA-N 317.845 4.627 30 20 DJED C=CCC[C@H](C(=O)N[C@H]1CCC[C@H]1SCC)c1ccccc1 475965102 LOOURLPLVHNNLZ-OKZBNKHCSA-N 317.498 4.527 30 20 DJED C=CCCCC(=O)Nc1ccccc1CN1CCc2ccccc21 480718095 USFRRPODWJNHQO-UHFFFAOYSA-N 320.436 4.544 30 20 DJED C=CCC[C@@H](C(=O)N[C@H](C)c1cccc(OC)c1)c1ccccc1 487685462 HZUPPOXQDDGTTP-OXQOHEQNSA-N 323.436 4.622 30 20 DJED C=CC[C@H](C(=O)N[C@H](CC)c1ccc(OC)cc1)c1ccccc1 487777758 RALKKVNNPUDFCA-VQTJNVASSA-N 323.436 4.622 30 20 DJED C=C(C)COc1cccc(NCc2nc(CCC)cs2)c1 494163933 ONTWGBGJKNFUJM-UHFFFAOYSA-N 302.443 4.663 30 20 DJED N#Cc1csc(CN[C@H](c2ccccc2)c2ccc(F)cc2)c1 531356133 KLIUBDKTOSBRKC-LJQANCHMSA-N 322.408 4.638 30 20 DJED C=C[C@@H](CC(=O)N(C)[C@@H]1CCCc2ccccc21)c1ccccc1 536090328 LCZCYVZSUOULMP-LAUBAEHRSA-N 319.448 4.882 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc2oc(CC)nc2c1)c1ccccc1 536122817 CAZIIGKQKAWSON-AWEZNQCLSA-N 320.392 4.689 30 20 DJED C[C@@H](CNc1ccc(CC#N)cc1)c1ccc(C(F)(F)F)cc1 576016117 GOUKXKBNJQGPEI-ZDUSSCGKSA-N 318.342 4.987 30 20 DJED C=C(C)COc1cccc(NC(=O)[C@@H](CC)c2ccccc2)c1 589385120 YQGDRGPLOKSFQE-IBGZPJMESA-N 309.409 4.774 30 20 DJED N#CC[C@@H]1CCCN(C(=O)Nc2ccccc2-c2ccccc2)C1 596643459 YMXWAYQSZJOJSP-INIZCTEOSA-N 319.408 4.511 30 20 DJED C=C[C@](C)(CCOC)c1nc(-c2ccc(C(C)(C)C)cc2)no1 685380381 IVTSCWYBKBOBRP-LJQANCHMSA-N 314.429 4.514 30 20 DJED Fc1ccc(NN=Cc2c(Cl)cccc2OC(F)F)cc1 732924127 OETGSMMOYYTEJS-UHFFFAOYSA-N 314.694 4.527 30 20 DJED Cc1ccc(Oc2ccc(N=Cc3ccccc3O)cc2)nc1 733205027 IBWHFEDXBUQHHY-UHFFFAOYSA-N 304.349 4.639 30 20 DJED C=CCN(C(=O)Nc1ccc(Cl)cc1-n1cccc1)C(C)C 740455068 YDAFURNXUFBTTI-UHFFFAOYSA-N 317.820 4.559 30 20 DJED CCOc1cccc(C=Nc2cccc(CSCC)c2)c1O 741466319 MIYGTAYEWJERJP-UHFFFAOYSA-N 315.438 4.795 30 20 DJED CCCCCCCCCNC(=O)N(C)[C@H](C)c1cccnc1 744828356 ZDPKHCGAKUGBAO-MRXNPFEDSA-N 305.466 4.535 30 20 DJED CC(C)CC(=NNc1oc(C(C)C)nc1C#N)c1ccccc1 745611629 ARIHCDRXICAHAE-UHFFFAOYSA-N 310.401 4.532 30 20 DJED COc1ccc(C(=O)/C=C/c2coc(-c3ccc(C)cc3)n2)cc1 748441783 VMPCVNKFCTZGTL-FMIVXFBMSA-N 319.360 4.555 30 20 DJED C=C[C@H](C)NC(=O)Nc1ccccc1SCc1ccccc1 757193717 RVDVBBSPAKMVAN-AWEZNQCLSA-N 312.438 4.675 30 20 DJED CCc1nc2ccccc2n1N=Cc1c(C)oc2ccccc12 758097666 GOQNACJJDMDGHP-UHFFFAOYSA-N 303.365 4.536 30 20 DJED O=C(/C=C/c1ccc(C(F)(F)F)s1)c1ccc(F)cc1 761473366 DEYBLKAAPHONJZ-FNORWQNLSA-N 300.276 4.802 30 20 DJED FC(F)(F)c1cccnc1C=NNc1cccc2ccccc12 765572146 NHIVQHLAUNIUJZ-UHFFFAOYSA-N 315.298 4.700 30 20 DJED CC(=NOCc1ccc2ncccc2c1)c1cc2ccccc2o1 769815019 PLEUFZZQJQKVQV-UHFFFAOYSA-N 316.360 4.922 30 20 DJED C#CCCCCCC(=O)N(Cc1cccc(F)c1)C1CCCC1 779824900 IOTFYJHPTOGXAB-UHFFFAOYSA-N 315.432 4.681 30 20 DJED C#C[C@@H](NCc1ccsc1Cl)c1ccc(Cl)cc1F 809699894 UMAGFJNDCFZFFF-CYBMUJFWSA-N 314.212 4.658 30 20 DJED Cc1ccc(-c2n[nH]cc2/C=C\C(=O)c2ccc(F)c(F)c2)cc1 810227643 GRSAQEQGVGDVOG-CLFYSBASSA-N 324.330 4.559 30 20 DJED CCC[C@@H]1C[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 813059980 MVVHHMURMAMZOD-BZUAXINKSA-N 324.449 4.731 30 20 DJED N#C[C@@H](C(=O)CCCC1CC1)c1nc2cc(Cl)ccc2s1 813061111 SFWUUINXBDYEDX-LBPRGKRZSA-N 318.829 4.706 30 20 DJED N#C[C@H](C(=O)C1CCC=CCC1)c1nc(-c2ccccc2)cs1 873497395 FZYHIITXHCKNJT-MRXNPFEDSA-N 322.433 4.733 30 20 DJED Cc1cc(CN(C)Cc2cccc(C#N)c2)c(O)c(C(C)(C)C)c1 914783428 SOEWCBGDMWJVSF-UHFFFAOYSA-N 322.452 4.502 30 20 DJED C(=NNc1nc2ccccc2[nH]1)c1ccccc1-c1ccccc1 917534191 PGSSNASWCOTCAB-UHFFFAOYSA-N 312.376 4.676 30 20 DJED C=CCN(Cc1ccccc1)Cc1cc(Cl)nc(Cl)c1 920085740 BHUWOYSUSHNLDP-UHFFFAOYSA-N 307.224 4.577 30 20 DJED C[C@@H]1CCC[C@@H](CNc2c(Br)cccc2C#N)C1 1162267036 OKEYLKQNAIUZOK-VXGBXAGGSA-N 307.235 4.559 30 20 DJED N#Cc1csc(CN[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)c1 1178954515 POKHDQMKIBKHJA-GDBMZVCRSA-N 316.857 4.699 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1N1CC2(CCCCC2)C1 1186571430 KWVQIJMPGBXCHO-UHFFFAOYSA-N 311.816 4.530 30 20 DJED CC1(c2ccc(Cl)cc2)CCN([C@@H](C#N)c2ccccc2)CC1 1194083546 UUTARCFYZJHNSH-IBGZPJMESA-N 324.855 4.958 30 20 DJED Cc1cccc(C2=CCN([C@H](C#N)c3ccccc3)CC2)c1C 1198564189 YZBXCZHJBOTMRU-OAQYLSRUSA-N 302.421 4.657 30 20 DJED Cc1cc(C#N)cc(NCc2ccc(Sc3ccccn3)o2)c1 1202805830 UDVVQMHQHNZPQR-UHFFFAOYSA-N 321.405 4.618 30 20 DJED CCC[C@H](Cc1ccccc1)N[C@@H]1CCc2cc(C#N)ccc21 1205650920 WVKGJXWJKRHBHQ-TZIWHRDSSA-N 304.437 4.547 30 20 DJED CN(C(=O)Nc1ccc(C#N)c(F)c1)c1ccc2ccccc2c1 1205986850 TYVSEBJASIKHTE-UHFFFAOYSA-N 319.339 4.519 30 20 DJED N#C[C@H]1CC[C@@H](Sc2nc3ccccc3n2-c2ccccc2)C1 1307250075 UPLSMWUICOMSNM-GOEBONIOSA-N 319.433 4.810 30 20 DJED C[C@H](SCc1ccccc1)c1nnc(-c2cccc(C#N)c2)o1 1322996179 HSLDPXVWKMEIAM-ZDUSSCGKSA-N 321.405 4.603 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C1C[C@H]2CCC[C@H](C1)C2 1353333304 TZQCFARKGMSNMZ-OALUTQOASA-N 324.468 4.512 30 20 DJED Cc1cc(C)nc(Nc2ccc(Oc3cccc(C#N)c3)cc2)n1 1458173873 MTYUCHVVKSNUFD-UHFFFAOYSA-N 316.364 4.501 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H]2CCC(C)(C)C2)n1 1472965538 BSMRDSAAOSMXFZ-JTQLQIEISA-N 314.376 4.951 30 20 DJED COc1cc(C#N)ccc1CN1CCCC2(CCCCCC2)C1 1473201519 RCNAKAHRWLBPQS-UHFFFAOYSA-N 312.457 4.503 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1OC(F)F)CC(C)(C)C 1473276720 LDPCFDPZALMKAE-UHFFFAOYSA-N 324.415 4.664 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 1537067546 HYCSHPQJCQJDNH-MCYKXBRJSA-N 324.468 4.684 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)N(CCC#N)CCC(C)C 1543041315 XBIDYLZKPKCGDJ-GOSISDBHSA-N 306.494 4.771 30 20 DJED CC(C)(C)[C@H]1CCCC[C@H]1CNc1nc(Cl)c(C#N)s1 1559089716 VXXIBVHTJHGUCP-QWRGUYRKSA-N 311.882 4.933 30 20 DJED CCN(Cc1ccc(C#N)cc1OC)c1ccc2ccccc2c1 1559608034 FGBJHUIIFNXVPQ-UHFFFAOYSA-N 316.404 4.747 30 20 DJED CCCCC1CCC(NC(=O)Nc2cc(C#N)ccc2F)CC1 1562915901 UIJCIMABBWRIRI-UHFFFAOYSA-N 317.408 4.568 30 20 DJED N#Cc1cc(Cl)ccc1NC(=O)c1cccc(C2CCC2)c1 1586199808 LWGZZVOJVYARMN-UHFFFAOYSA-N 310.784 4.731 30 20 DJED Cc1ccc(F)cc1C(=O)Nc1scc(C(C)(C)C)c1C#N 1595897523 HHGVZTFEUHIGEO-UHFFFAOYSA-N 316.401 4.617 30 20 DJED Cc1ccnc(NC[C@H](C)c2c(Cl)cccc2Cl)c1C#N 1611908905 QPRVEBMBEZBDNI-NSHDSACASA-N 320.223 4.784 30 20 DJED CC(C)c1ccccc1Nc1ccc(C(=O)N(C)CCC#N)cc1 1625790486 ILZXYFBBULTOGU-UHFFFAOYSA-N 321.424 4.539 30 20 DJED N#Cc1cc(F)cc(NC(=O)Nc2ccc(C3CCC3)cc2)c1 1626924842 DAMWGPNJTQUBTI-UHFFFAOYSA-N 309.344 4.609 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@@H]2Nc1ccc(Cl)c(C#N)n1 1650634600 XXWQYRUUWKWAHC-ZDUSSCGKSA-N 315.804 4.634 30 20 DJED CC(C)(C)CC(C)(C)NCc1ccc(C#N)cc1Br 1652444885 CAJCXSPTQQSMGJ-UHFFFAOYSA-N 323.278 4.625 30 20 DJED N#Cc1ccc(CN2CCCC3(CCCCC3)CC2)c(F)c1 1664319829 CJJNATJDZUXTFB-UHFFFAOYSA-N 300.421 4.634 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N[C@H](C)c1cccc(C2CC2)c1 1675080290 WFALHAXOLLFXCL-CQSZACIVSA-N 319.408 4.627 30 20 DJED N#Cc1ccc([N+](=O)[O-])c(Oc2ccc(Cl)cc2Cl)c1 34267404 DMANTMOLWFDKBB-UHFFFAOYSA-N 309.108 4.566 30 20 DJED N#Cc1ccc(Cl)cc1N[C@@H]1CCSc2c(F)cccc21 37277910 HMAVACCRSMAIJH-CQSZACIVSA-N 318.804 5.000 30 20 DJED CCSc1ccc(Cl)cc1NC(=O)c1cc(C#N)cs1 84108112 HTLGOBJJHJPVLA-UHFFFAOYSA-N 322.842 4.637 30 20 DJED C=CCCC(=O)N1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 155058115 JRZXHCOOJXVLKQ-MLGOLLRUSA-N 311.347 4.581 30 20 DJED N#Cc1csc(CN[C@H](c2ccc(Cl)cc2)C2CCC2)c1 177697257 AJCCQXHSNDGENZ-KRWDZBQOSA-N 316.857 4.904 30 20 DJED C=CCC[C@@H](Nc1ccc(CN(C(C)=O)C(C)C)cc1)C1CC1 179918832 GAHICORMXNICKE-HXUWFJFHSA-N 314.473 4.600 30 20 DJED CC[C@@H](NCCCC(C)(C)C#N)c1nc(C(F)(F)F)cs1 185923484 MEUWBNMQTDIVDJ-SNVBAGLBSA-N 319.396 4.533 30 20 DJED CC[C@H](Nc1cccc(OCCCC#N)c1)c1ccccc1OC 193906609 NJIBJHBGFWJUIZ-IBGZPJMESA-N 324.424 4.941 30 20 DJED C[C@H]1CCC[C@H](Nc2ccc(C#N)c(Br)c2)CC1 235650903 MKCWPJJYKDWTGN-AAEUAGOBSA-N 307.235 4.701 30 20 DJED CSc1ccccc1C[C@@H](C)N[C@H](CCC#N)c1ccccc1 341340801 GTCXYPRQEOLNFD-VQIMIIECSA-N 324.493 4.974 30 20 DJED C=CCC[C@H](N[C@H](C)c1ncc[nH]1)c1ccc(C(F)(F)F)cc1 353616589 BNXLWUDDJSRSPM-DOMZBBRYSA-N 323.362 4.787 30 20 DJED CCCCCCCC(=O)N1CCC(C(=O)c2cccs2)CC1 364404804 DJMAQLSLYNLJRK-UHFFFAOYSA-N 321.486 4.530 30 20 DJED CC(C)[C@H]1CCCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 426131871 UCAHATZJSBXZDC-AWEZNQCLSA-N 319.836 4.502 30 20 DJED N#CCC1(CN[C@H]2CCCc3c(Cl)sc(Cl)c32)CC1 430761145 KZRDYFIDKIVSSY-JTQLQIEISA-N 315.269 4.716 30 20 DJED CC(C)C1CCC(N(C)C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 432542930 XCFOCZWBRGXVMC-UHFFFAOYSA-N 324.468 4.529 30 20 DJED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(Cl)cc1Cl 435664743 NQWFEYZRYISYAX-WQGACYEGSA-N 314.256 4.625 30 20 DJED CC(C)CCC[C@H](C)NC(=O)N[C@H](CCC#N)c1ccccc1 438840138 MVYOMDGCJJTNOE-FUHWJXTLSA-N 315.461 4.545 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1Cl)c1ccc(F)cc1Cl 439463662 SMMBQAGXBUFUGF-SNVBAGLBSA-N 323.198 4.855 30 20 DJED Cc1c(COc2ccccc2)cccc1N[C@@H]1CC[C@@H](C#N)C1 442880653 ZFKXGUKTIKEGKO-SJLPKXTDSA-N 306.409 4.678 30 20 DJED N#CC1(CSCCCCSCC2(C#N)CCC2)CCC1 450936324 VEVFEBSINHMCNW-UHFFFAOYSA-N 308.516 4.621 30 20 DJED C=C[C@](C)(CC)C(=O)NCC(c1ccccc1)c1ccccc1 466362544 OETHCXZVEOJPID-OAQYLSRUSA-N 307.437 4.537 30 20 DJED Cc1cccc(CN(CCCC(C)(C)C#N)Cc2ccco2)c1 472441215 VQGORUCTMAHMNW-UHFFFAOYSA-N 310.441 4.920 30 20 DJED CCCCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@H](C)CC 475771413 UHYZNWZWMVOCRG-SJLPKXTDSA-N 300.446 4.501 30 20 DJED C[C@@H](N[C@H]1CCCc2ccc(F)cc21)c1ccc(C#N)c(F)c1 479469467 WPNPDHSNAWHFBF-BLVKFPJESA-N 312.363 4.565 30 20 DJED C=C(C)[C@@H](NCc1c(F)cccc1F)c1ccc(F)c(F)c1 481619374 JMOGFSGZIPLDSV-QGZVFWFLSA-N 309.306 4.650 30 20 DJED COc1ccc([C@H](C)N(C)Cc2ccccc2C(C)(C)C#N)cc1 487376912 HPUMCVYJNDHZQA-INIZCTEOSA-N 322.452 4.689 30 20 DJED C[C@@H](NC[C@H]1CCCCC(F)(F)C1)c1ccc(C#N)cc1F 495016797 KJPKXYARHGSBBJ-OCCSQVGLSA-N 310.363 4.564 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc(CSC)cc1 524828942 VVFBXYVOUCKBTF-UHFFFAOYSA-N 306.475 4.760 30 20 DJED Cc1c(COC(C)(C)C)cccc1NCc1cccc(C#N)c1 531108315 UJKDUFDPQALXJL-UHFFFAOYSA-N 308.425 4.794 30 20 DJED C=C[C@H](CC(=O)Nc1cc(Cl)ccc1OC)c1ccccc1 533882441 GXEOXVLDUNKLFB-CYBMUJFWSA-N 315.800 4.647 30 20 DJED C[C@H](SCCCC1(C#N)CCOCC1)c1ccc(F)cc1 538605440 KDHFGDNELJPXIE-AWEZNQCLSA-N 307.434 4.720 30 20 DJED N#Cc1c(Cl)cccc1SCc1nc2ccc(F)cc2o1 540044970 WLLRWWYZCIGDJY-UHFFFAOYSA-N 318.760 4.784 30 20 DJED C/C=C/c1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1 561652466 RVVCDVVSHPBBRR-OBNPVOHOSA-N 304.393 4.746 30 20 DJED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N(C)c1cccc(C#N)c1 573389275 KDDCZIAXAFFYSX-WBVHZDCISA-N 318.420 4.511 30 20 DJED N#Cc1cc(F)cc(NCc2ccc(F)c(Cl)c2Cl)c1 600862114 UAUFFAXUSRKPGZ-UHFFFAOYSA-N 313.134 4.755 30 20 DJED Cc1nc(-c2ccc([C@@H](C)NC[C@H](C)CCC#N)cc2)cs1 602512181 RGOHSASVDKGVDC-ZIAGYGMSSA-N 313.470 4.709 30 20 DJED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1c1cccc2ccccc12 604900785 JTBKEXGFZSKSEX-HNAYVOBHSA-N 308.425 4.651 30 20 DJED C=CCOc1ccccc1CN[C@@H](CC)c1ccc(F)cc1F 606467729 CEOPWUUXHBPEIG-SFHVURJKSA-N 317.379 4.771 30 20 DJED C=C[C@@H](C)N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 610831719 OTBCYLLHDYRNSZ-VXGBXAGGSA-N 302.399 4.548 30 20 DJED C[C@H](NCc1ccc(C#N)c(Cl)c1)c1cccc(Cl)c1 619746708 JNOOWXPZVSRSPF-NSHDSACASA-N 305.208 4.716 30 20 DJED CC1(C)CC(=NNc2ccc3ccccc3n2)c2ccoc2C1 731485901 HFDIWXGGUKLSQR-UHFFFAOYSA-N 305.381 4.616 30 20 DJED CC(C)c1ccc2c(Cl)c(C(=O)N(C)CCC#N)sc2c1 732656451 DHEFSXVFMKYPHQ-UHFFFAOYSA-N 320.845 4.664 30 20 DJED CCCCCCCC(=O)Nc1ccc2c(cnn2C(F)F)c1 747140874 NXANXSXQNHPRGG-UHFFFAOYSA-N 309.360 4.730 30 20 DJED COc1ccc2oc(C(=O)/C=C\c3ccccc3C#N)c(C)c2c1 755592424 HXWDYBQVAJKIOL-CLFYSBASSA-N 317.344 4.518 30 20 DJED C[C@H](C(=O)OCCCCC(C)(C)C#N)c1ccc(Cl)s1 768754538 IVBUGRACDYBCJS-NSHDSACASA-N 313.850 4.768 30 20 DJED COc1ccsc1C(=O)/C=C\c1ccccc1C(F)(F)F 769745024 VTLSKLJEZRNAAR-SREVYHEPSA-N 312.312 4.672 30 20 DJED C=CCCC[C@@H](C)NC(=S)Nc1c(CC)cccc1CC 776205491 YSMUEIWIECUUDD-CQSZACIVSA-N 304.503 4.843 30 20 DJED O=C(/C=C/c1nc2c(s1)CCCC2)c1ccccc1Cl 776262201 CKHGXCFBQHKTNV-MDZDMXLPSA-N 303.814 4.571 30 20 DJED Cc1ccc(N[C@H](C)c2ccc(C#N)c(F)c2)cc1-c1ncco1 777702480 SRDGNZHGJPVIAN-CYBMUJFWSA-N 321.355 4.834 30 20 DJED N#Cc1ccc(CNCc2cc(Cl)cc(C(F)(F)F)c2)cc1 780509578 QZYLCFCYHYKCQW-UHFFFAOYSA-N 324.733 4.520 30 20 DJED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1ccsc1Cl 790220073 RGXMXRNSSATGOF-HWKANZROSA-N 307.758 4.514 30 20 DJED CC[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1 795994590 YLSCRGHKWUPNSC-RTBURBONSA-N 307.393 4.768 30 20 DJED COc1cc(/C=C2/C(=O)c3ccccc3[C@@H]2C)ccc1SC 809159404 OUDDWWFQBWMYOY-SEJMYLSOSA-N 310.418 4.801 30 20 DJED C#Cc1ccc(CN[C@H](c2ccccc2)c2ccc(F)cc2)cc1 809611258 XNKDTMMLNXXZGU-JOCHJYFZSA-N 315.391 4.686 30 20 DJED CC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 835388870 XHIQALHLXIJALK-CHWSQXEVSA-N 306.475 4.689 30 20 DJED C=CCCC[C@H](N)C(=O)Nc1c(C(C)C)cccc1C(C)C 911915741 GSIQATMJJRYRSK-KRWDZBQOSA-N 302.462 4.556 30 20 DJED COc1cc(C(=O)/C=C\c2ccc(-c3ccccc3)o2)ccc1O 917516903 ICSUPIJNODUUMD-FLIBITNWSA-N 320.344 4.557 30 20 DJED N#Cc1ccccc1-c1ccccc1C(=O)OCc1cccs1 921188300 SNOSZEUEDUNLGM-UHFFFAOYSA-N 319.385 4.644 30 20 DJED CCc1c(C)sc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)c1C#N 1125779911 LFZNLGVHEBROTN-JKSUJKDBSA-N 324.449 4.541 30 20 DJED CN(Cc1ccc(-c2ccc(Cl)cc2)o1)c1ccncc1C#N 1162094820 FRPOKFIUERMWQN-UHFFFAOYSA-N 323.783 4.503 30 20 DJED Cc1cc(N[C@@H](C)Cc2c(Cl)cccc2Cl)ncc1C#N 1162953935 MDIBYIYEZPMDCZ-NSHDSACASA-N 320.223 4.612 30 20 DJED Cc1cc(CN(Cc2ccc(F)cc2)C(C)(C)C)ccc1C#N 1180284610 KDYSNUMZHSOINE-UHFFFAOYSA-N 310.416 4.807 30 20 DJED Cc1cc(C)c(C#N)c(SCc2cc(F)ccc2Cl)n1 1188084221 LNHIEAJNPUXIIQ-UHFFFAOYSA-N 306.793 4.655 30 20 DJED N#Cc1cc(Cl)ccc1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 1279076912 FSCXERIZDOJANB-MELADBBJSA-N 316.832 4.757 30 20 DJED CC(C)CN(Cc1ccccc1)C(=O)CC1(C#N)CCCCC1 1358365485 VDBJCBQTOZKQAJ-UHFFFAOYSA-N 312.457 4.535 30 20 DJED C[C@@H](NCc1cc(C#N)ccc1F)[C@H](C)c1ccc(Cl)cc1 1462589110 SMBUIXDOKPKWBJ-QWHCGFSZSA-N 316.807 4.633 30 20 DJED C[C@H]1CCCC[C@@H]1CCNC(=O)Nc1ccc(C#N)cc1Cl 1465888620 PFBJEEVSTORPKU-GXTWGEPZSA-N 319.836 4.550 30 20 DJED Cc1cc(OCc2cccc(C)c2Br)ccc1C#N 1559406042 AAIAICJMQJWXGW-UHFFFAOYSA-N 316.198 4.517 30 20 DJED Cc1c(Cl)cnc(N[C@@H]2c3ccccc3CC[C@@H]2C)c1C#N 1650912466 NAXCFNBSRBNEOO-GTNSWQLSSA-N 311.816 4.651 30 20 DJED Cc1c(Cl)cnc(N[C@H]2CCCc3c(F)cccc32)c1C#N 1651108699 IMOUVVPYBMTZCW-INIZCTEOSA-N 315.779 4.544 30 20 DJED CC(C)C[C@H]1CCCCN1c1ccc(C#N)c(Br)c1 1651627664 PNPRXAOVWHAXFF-CQSZACIVSA-N 321.262 4.726 30 20 DJED CC[C@H](C)CSc1cc(C)c(C#N)c2nc3ccccc3n12 1655263263 CHFACIXQYRTMHG-LBPRGKRZSA-N 309.438 4.806 30 20 DJED N#Cc1ccc(CN[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)cc1 1657550041 PRMYWNPBGVAEJL-MJGOQNOKSA-N 310.828 4.638 30 20 DJED C=CCNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 48723067 GJCLUCDNYNXLSU-UHFFFAOYSA-N 312.221 4.638 30 20 DJED N#CCSc1cccc(C(=O)Nc2cccc3ccccc23)c1 79380358 IFQQYZBUPOQJQA-UHFFFAOYSA-N 318.401 4.708 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)C[C@H](C)c2ccccc2)n1 80456358 RVAQEFFLLCCVPI-DZGCQCFKSA-N 312.438 4.637 30 20 DJED O=C(/C=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Cl 96766283 SWTSWAWJUKVQPL-VURMDHGXSA-N 322.147 4.798 30 20 DJED Cc1cc(C)cc([C@H](C)NCc2cccc(OCCCC#N)c2)c1 107319960 ZMPUPPZFAORQIP-SFHVURJKSA-N 322.452 4.837 30 20 DJED CCCN(CCC)C(=O)Nc1ccccc1SC[C@@H](C)C#N 108533322 NNDLOZBBEUZIHM-AWEZNQCLSA-N 319.474 4.592 30 20 DJED N#CCCCOc1cccc(CNc2cccc3cnccc23)c1 155613983 VHOQHZLVCXYUJB-UHFFFAOYSA-N 317.392 4.529 30 20 DJED N#Cc1ccc(COc2ccccc2C(F)(F)F)c(Cl)c1 162964682 MFQTWSISBRFMTK-UHFFFAOYSA-N 311.690 4.809 30 20 DJED C[C@H](NCc1ccc(C#N)cc1F)c1cc2ccccc2s1 178789821 YHUXZZXPFPIZRJ-LBPRGKRZSA-N 310.397 4.763 30 20 DJED Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)CCC2 180540402 WPRZOTFAYAZAPF-HRAATJIYSA-N 320.436 4.626 30 20 DJED N#Cc1ccc(Nc2ccc3c(c2)CCC3)cc1Br 228174421 XDBLNXJCBLFNJW-UHFFFAOYSA-N 313.198 4.553 30 20 DJED Clc1ccc(C=NOCc2coc(-c3ccccc3)n2)cc1 255846528 SNMFXJKBPQYWQU-UHFFFAOYSA-N 312.756 4.546 30 20 DJED CCOc1cccc([C@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)c1 271924226 FVGSZEKJDKULDD-KBPBESRZSA-N 312.388 4.508 30 20 DJED N#Cc1c(Cl)nsc1Oc1ccc(Cl)cc1Cl 301928572 LLOLWAPXARLCAG-UHFFFAOYSA-N 305.573 4.767 30 20 DJED Cc1nc(C)c(C#N)c(S[C@H](C)c2ccc3ccccc3c2)n1 303011380 XAWMGIPXZBWFID-CYBMUJFWSA-N 319.433 4.972 30 20 DJED Cc1ccoc1CN(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 425363646 CIURUVTVRTWKSQ-ZDUSSCGKSA-N 322.330 4.521 30 20 DJED C=CCC[C@@H](NC(=O)NCc1cscc1C)c1ccccc1 425915696 DNPKMUBLPJHUSB-QGZVFWFLSA-N 314.454 4.563 30 20 DJED C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1CCCCC#N 441062616 NJGNDMZFKWTUGV-PGRDOPGGSA-N 318.464 4.759 30 20 DJED CC[C@@H](NCc1coc(-c2cccs2)n1)c1ccc(C#N)cc1 447527090 DZVZMAXHOHNHGB-MRXNPFEDSA-N 323.421 4.516 30 20 DJED CC1(C#N)CCC(N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 449297642 GZLHOOCFPSTAKA-ZTRSQXPZSA-N 300.421 4.524 30 20 DJED CCc1ccc(-c2ccc(C(=O)N[C@](C)(C#N)C(C)(C)C)o2)cc1 464168771 PTRIXPIEBVATRN-HXUWFJFHSA-N 324.424 4.567 30 20 DJED C=CCCCC(=O)N[C@H](c1ccc(C)cc1)c1ccc(OC)cc1 481157704 WHDXIDZWWVKLEY-OAQYLSRUSA-N 323.436 4.566 30 20 DJED CC(=O)c1ccc(C#N)c(NCc2c(Cl)cccc2Cl)c1 578099039 AEHDENNRGXECCJ-UHFFFAOYSA-N 319.191 4.680 30 20 DJED C#Cc1cccc(N(Cc2cccs2)C(=O)C[C@@H]2C=CCC2)c1 728181677 WAUQCYDHXQLSDH-QGZVFWFLSA-N 321.445 4.619 30 20 DJED Cc1cccc(-c2n[nH]cc2/C=C\C(=O)c2ccc(F)c(F)c2)c1 728785911 PLTBQAVJZLNRMK-VURMDHGXSA-N 324.330 4.559 30 20 DJED CCCCCCCCC(=O)N1CCO[C@H](c2ccccc2C)C1 741725707 BJZJKPRQRMDFKU-IBGZPJMESA-N 317.473 4.646 30 20 DJED C=CCN(C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(C)C 741898120 CDYFDIQSPNBQMR-HUUCEWRRSA-N 312.240 4.520 30 20 DJED CCCCCC[C@H](C)CC(=O)N[C@H](C)c1cccc(C#N)c1 743776192 WIRLRTYBQFJHHM-JKSUJKDBSA-N 300.446 4.732 30 20 DJED CCCCCCCC(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1 753275625 ZMPMSIZMRUZOKH-IEBWSBKVSA-N 317.473 4.631 30 20 DJED C#CC[C@@H](N[C@@H](C)c1cc(C)c(OC)cc1C)c1ccccc1 753690570 UVSPAIGCZLPVSU-FXAWDEMLSA-N 307.437 4.727 30 20 DJED O=C(/C=C/c1nc(Cl)cs1)c1ccc(Cl)c(Cl)c1 759074313 UUICBKSZTIEGTA-ONEGZZNKSA-N 318.612 4.999 30 20 DJED Fc1cccc2[nH]cc(C=NOc3ccccc3C(F)(F)F)c12 763370082 LIAINNVWUWSTBI-UHFFFAOYSA-N 322.261 4.739 30 20 DJED N#CCOc1cccc(NCc2ccc(-c3cccs3)cc2)c1 766116151 ABLUOGULHSPLQD-UHFFFAOYSA-N 320.417 4.930 30 20 DJED CCCCCCCCCC(=O)Nc1ccccc1-c1nc[nH]n1 770823938 MNBSUOMCTTVCTD-UHFFFAOYSA-N 314.433 4.551 30 20 DJED C=CCN(C(=O)c1sc(C2CCCCC2)nc1C)C(C)C 775148423 ZLKNCOPFAFTYAN-UHFFFAOYSA-N 306.475 4.536 30 20 DJED O=C(/C=C\c1scnc1C1CC1)c1ccc2ccccc2c1O 782342236 PMQCPKSKAFJXEV-KTKRTIGZSA-N 321.401 4.775 30 20 DJED COc1cc(C)c(C(=O)/C=C\c2ccsc2Cl)cc1OC 790219382 KRJSTWLBRNCTEF-PLNGDYQASA-N 322.813 4.623 30 20 DJED Clc1ccc(C2CC(=NNc3cccc(Cl)n3)C2)cc1 793180841 BLZASINBMYLHLQ-UHFFFAOYSA-N 306.196 4.734 30 20 DJED C=CCC[C@H](Nc1ccc(OCC)c(OC)c1)c1ccco1 796897535 PYFNSBIAVFHFHS-HNNXBMFYSA-N 301.386 4.806 30 20 DJED CC(C)=CCC[C@@H](C)CC(=O)[C@H](C#N)c1nc2ccccc2o1 842693544 HUKCORCPLYCDAN-CABCVRRESA-N 310.397 4.777 30 20 DJED Cc1ccc(N(CCC#N)C(=O)/C=C\c2ccc(Cl)cc2)cc1 920970754 NWBVLGZECPEZDO-GHXNOFRVSA-N 324.811 4.609 30 20 DJED CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 1125839636 VKRDFNLEGSEHFQ-CRAIPNDOSA-N 312.457 4.576 30 20 DJED CC1(C)CCC(CC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 1127413475 WBHRMTUITGAKJI-UHFFFAOYSA-N 324.468 4.656 30 20 DJED CCCC[C@@H]1CCC[C@H]1NCc1ccc(C#N)cc1OC(F)F 1168981035 LMUVZACAUBCCGM-GDBMZVCRSA-N 322.399 4.608 30 20 DJED C[C@H]1CC(C)(C)CC[C@H]1Nc1nc(C(F)(F)F)ccc1C#N 1185620588 LZJZXNCXZOAUSK-CMPLNLGQSA-N 311.351 4.599 30 20 DJED CCC(C)(C)c1ccc(C(=O)Nc2ccc(C#N)cc2OC)cc1 1267666766 WMUMPFPWOKIKHO-UHFFFAOYSA-N 322.408 4.507 30 20 DJED C=CCC(C)(C)c1nnc(COc2ccc3ccccc3c2)o1 1327025069 CFGISNQNYXEWCL-UHFFFAOYSA-N 308.381 4.656 30 20 DJED CCC(C)(C)c1ccc(CN2CCc3c(C#N)cccc32)cc1 1473570620 YGSZBHVFCIRQBK-UHFFFAOYSA-N 304.437 4.809 30 20 DJED CCC(C)(C)c1ccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)cc1 1531825124 YSNSFBQNTYMDGZ-QGZVFWFLSA-N 312.457 4.529 30 20 DJED CC1(C)CC(C)(C)c2cc(NC(=O)c3ccsc3C#N)ccc21 1537470958 WESIJBYJGOSBTA-UHFFFAOYSA-N 324.449 4.831 30 20 DJED CCOc1ccc(C#N)cc1NC1CC(C)(C)CC(C)(C)C1 1560744082 FRAWBRMALOSSHW-UHFFFAOYSA-N 300.446 4.974 30 20 DJED Cc1c(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)sc2ccc(F)cc12 1583559263 ITVHQYSMADRMMK-DGCLKSJQSA-N 317.385 4.588 30 20 DJED CO[C@H]1CCC[C@@H](Sc2ccc(C#N)c(C(F)(F)F)c2)C1 1613667452 IWQVGGSCKWNHAB-NWDGAFQWSA-N 315.360 4.627 30 20 DJED CC(C)Oc1ccccc1[C@@H](C)NCCC1(C#N)CCCCC1 1616763906 NQACUKLCFZWHHG-QGZVFWFLSA-N 314.473 4.989 30 20 DJED N#Cc1cc(N[C@H]2CC[C@@H]2C2CC2)ccc1Oc1ccccc1 1621275573 JRCJYIVLPHUWOU-MOPGFXCFSA-N 304.393 4.951 30 20 DJED N#Cc1ccc(F)c(CN[C@@H]2CCCC[C@H]2C2CCCCC2)c1 1621524441 KRKGRKNJMHANPJ-AZUAARDMSA-N 314.448 4.926 30 20 DJED C[C@@H]1CCC[C@H](CNc2ccc(C#N)c(Br)c2)[C@@H]1C 1639855845 XLQQHTMZTBFHQD-YRGRVCCFSA-N 321.262 4.805 30 20 DJED N#CCC1(CN(Cc2ccccc2Cl)C2CCCC2)CC1 1641731445 UHBHAIBRECSCQV-UHFFFAOYSA-N 302.849 4.778 30 20 DJED Cc1ccnc(N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)c1C#N 1642798373 ZWCMFESZBJMGHS-ZBFHGGJFSA-N 311.816 4.663 30 20 DJED N#Cc1ccc(CCN2C[C@@H](c3ccccc3)c3ccccc32)cc1 1642921333 MHKGCKTZHWLDLP-QFIPXVFZSA-N 324.427 4.753 30 20 DJED CC(C)(C)c1cc(Oc2ccc(C#N)nn2)cc(C(C)(C)C)c1 1649191460 YAIQDYMWLNFIEV-UHFFFAOYSA-N 309.413 4.736 30 20 DJED CC(C)c1cnc(SCc2ccc(C#N)s2)n1C1CC1 1656301375 RPXAEZZSRMRCNO-UHFFFAOYSA-N 303.456 4.567 30 20 DJED CC[C@](C)(CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)OC 1657748883 GMMPOHQPIYFFFE-IIBYNOLFSA-N 322.452 4.691 30 20 DJED C=CCC1(C(=O)O)CCN([C@H](C)c2ccc3ccccc3c2)CC1 1776157536 YWKFSBKENNCGHX-MRXNPFEDSA-N 323.436 4.644 30 20 DJED CCCCCCC[C@H](CC(=O)O)NC[C@@H]1CCC[C@H](CC)C1 1776783368 VEDLTHGWJQCTKQ-RCCFBDPRSA-N 311.510 4.996 30 20 DJED O=C1/C(=C/c2ccsc2)CSC/C1=C\c1ccsc1 24100070 FGVZVWVANXBFDY-ACFHMISVSA-N 304.461 4.593 30 20 DJED N#CCCCOc1cccc(NCc2ccc(Cl)s2)c1 37777500 BIZRNEXAERWHKG-UHFFFAOYSA-N 306.818 4.696 30 20 DJED N#Cc1csc(CN[C@@H](c2ccccc2F)C2CCCC2)c1 88765282 ZDNQMHLFPPYLAN-GOSISDBHSA-N 314.429 4.780 30 20 DJED C=CCn1c(SCC(=O)c2ccccc2C)nc2ccccc21 108136176 WWMPUCFHUNSYAZ-UHFFFAOYSA-N 322.433 4.506 30 20 DJED CCN(C[C@H](C)C#N)[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1 155293634 WWQFOPVWIMQYOA-OLZOCXBDSA-N 317.820 4.538 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)[C@@H](c2ccccc2)C2CC2)n1 162461694 GTAVKYHVEVYJLX-WBVHZDCISA-N 324.449 4.637 30 20 DJED CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1C 172103343 PJMYMORIDJXGDM-INIZCTEOSA-N 321.424 4.699 30 20 DJED C[C@H](C#N)CSc1ccccc1NCc1cc(F)ccc1F 176880651 LWERGFQAZPDQBR-GFCCVEGCSA-N 318.392 4.829 30 20 DJED C[C@@H](N[C@H](C)c1ccc(F)cc1Cl)c1cccc(C#N)c1 178176879 KWSFWVMYQCCHNT-VXGBXAGGSA-N 302.780 4.763 30 20 DJED C=C(C)[C@H](N[C@H](C)c1ccccc1O)c1ccc(F)c(F)c1 186448554 PNUJVSJYQOLDLH-XIKOKIGWSA-N 303.352 4.638 30 20 DJED N#Cc1ccc(CN[C@@H]2CCc3ccc(-c4ccccc4)cc32)o1 189576430 IQUOKTXWFNRPNP-OAQYLSRUSA-N 314.388 4.595 30 20 DJED CC(C)(C#N)CCCOc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 231642352 PNVGZJJMEWQOMK-UHFFFAOYSA-N 317.172 4.610 30 20 DJED COc1ccc(/C=C\C(=O)c2cccc(Cl)c2Cl)cc1O 255404841 AJLCEQHXYBXCKN-ALCCZGGFSA-N 323.175 4.604 30 20 DJED COc1ccc(C)cc1CNc1ccc(C#N)cc1C(F)(F)F 319649624 PYMLXNZABPVJHB-UHFFFAOYSA-N 320.314 4.506 30 20 DJED CC(C)(C)C[C@@H](NC(=O)c1sccc1C#N)c1ccccc1 353618766 NBQBXIFZMNHSLG-OAHLLOKOSA-N 312.438 4.527 30 20 DJED CC(C)[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 424333469 UIDHARHBOCLVDA-APHBMKBZSA-N 310.363 4.684 30 20 DJED C=C[C@H](CC(=O)N(C)c1ccc(Cl)cc1F)c1ccccc1 439183292 ZDKLKZUXSQEUPH-CYBMUJFWSA-N 317.791 4.802 30 20 DJED C=CCC[C@@H](NC(=O)N1CC(C)(C)[C@H]1C1CC1)c1ccccc1 460390854 XEUUIGWMFKHPPB-QZTJIDSGSA-N 312.457 4.524 30 20 DJED C=CCCN(C)C(=O)Nc1ccc(Oc2cccc(C)c2)cc1 466364831 PDTBXDOMLRSCQG-UHFFFAOYSA-N 310.397 4.827 30 20 DJED C=C(C)[C@@H](NCc1ccc2ncccc2c1)c1ccc(F)c(F)c1 479406498 BHSIAIZUVFQIEA-HXUWFJFHSA-N 324.374 4.920 30 20 DJED COCc1cccc(N[C@@H]2CCCCc3cc(C#N)ccc32)c1 482000170 RSLYAYUHZVWMET-HXUWFJFHSA-N 306.409 4.584 30 20 DJED Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1ccc(C#N)cc1F 484540821 HUDWLEYVPVSTLP-LLVKDONJSA-N 316.357 4.767 30 20 DJED C=CC[C@H](C(=O)N[C@H]1CCSc2ccccc21)c1ccccc1 487810383 YOLAHURCOMHXGP-WMZOPIPTSA-N 323.461 4.700 30 20 DJED C[C@H](NC[C@H]1CCCCC(F)(F)C1)c1ccc(C#N)cc1F 495016796 KJPKXYARHGSBBJ-JSGCOSHPSA-N 310.363 4.564 30 20 DJED C[C@H](c1ccc(F)cc1)N1CC=C(c2ccc(C#N)cc2)CC1 502513186 WNLKBJZZIMLMMO-OAHLLOKOSA-N 306.384 4.548 30 20 DJED CN(C(=O)CC1(C)CCCCC1)c1cc(Cl)ccc1C#N 511304388 IJANLDBKJHZBSS-UHFFFAOYSA-N 304.821 4.535 30 20 DJED CCN(C(=O)C[C@@H]1CCCC[C@H]1C)[C@H](C)c1ccc(C#N)cc1 518808428 IVCBDYUDUGRBKL-MDZRGWNJSA-N 312.457 4.684 30 20 DJED C=CCCCCCN(C)C(=O)N[C@H](C)c1cccc(C)c1C 525321792 TYFHXJDMGDGSTR-QGZVFWFLSA-N 302.462 4.752 30 20 DJED C=CCCOCCCCC(=O)Nc1cc(Cl)cc(Cl)c1 537163112 ZBYBHRFYASIJQR-UHFFFAOYSA-N 316.228 4.695 30 20 DJED N#Cc1ccccc1CN[C@H](c1ccc(F)cc1)C1CCCC1 539311140 DZCBFMAXGYEXOT-FQEVSTJZSA-N 308.400 4.718 30 20 DJED C[C@H](Nc1cnccc1C#N)c1cc(F)c(Cl)cc1Cl 539888333 FZLMLDGAXMFLPU-QMMMGPOBSA-N 310.159 4.572 30 20 DJED C=C[C@H](CC(=O)N(C)c1cccc2cccnc12)c1ccccc1 546657653 LMMJLICVKTWDKT-MRXNPFEDSA-N 316.404 4.558 30 20 DJED Cc1cc(CSCc2ccc(C(F)(F)F)cn2)ccc1C#N 551003199 JVPYXKWXTANEQE-UHFFFAOYSA-N 322.355 4.714 30 20 DJED N#C[C@@H](Cc1ccccc1)Sc1ccc(Br)cc1 604506843 QUONTNLALOSPDK-OAHLLOKOSA-N 318.239 4.676 30 20 DJED Cn1ccc2ccc(N[C@@H]3CCCc4cc(C#N)ccc43)cc21 615473257 GLNGOUKDKJELNH-LJQANCHMSA-N 301.393 4.539 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2NCc1cc2ccccc2s1 618741182 DFFHGRPYLQWWFV-GOSISDBHSA-N 304.418 4.550 30 20 DJED Cc1ccc2c(c1)[C@H](N[C@@H]1CCc3cc(C#N)ccc31)CCC2 618807420 ULIYPZRBPSTDIH-NHCUHLMSSA-N 302.421 4.521 30 20 DJED C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccccc1Cl 619746587 ATCHKBROIUJCED-LLVKDONJSA-N 305.208 4.716 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 682437917 HYQMFNSIDKSMNC-CYBMUJFWSA-N 321.289 4.882 30 20 DJED CCc1cccc2c(/C=C3\COc4ccc(F)cc4C3=O)c[nH]c12 731565480 QOYWOCWFKZPUCR-RIYZIHGNSA-N 321.351 4.528 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1cc2oc3ccccc3c2cc1OC 735088087 NPOVGXXMRRVIPL-GFCCVEGCSA-N 324.380 4.681 30 20 DJED C=C(C)CN(CC)Cc1ccc(OC)c(SC(F)(F)F)c1 743839437 XAUMJMGBYFFACT-UHFFFAOYSA-N 319.392 4.705 30 20 DJED CC(=NNc1cccc(C#N)c1)c1ccc(Cl)cc1Cl 767335444 DWEPCYDXNRXOGB-UHFFFAOYSA-N 304.180 4.701 30 20 DJED Cc1ccc(N[C@H](C)c2ccc(C#N)c(F)c2)cc1OC(F)F 777044193 GUTWVIPGQJEURB-LLVKDONJSA-N 320.314 4.780 30 20 DJED CC[C@]1(C)Oc2ccc(N[C@H](C)c3cccc(C#N)c3)cc2O1 785572256 XMRSSYVZUWGAMQ-BFUOFWGJSA-N 308.381 4.629 30 20 DJED O=C(/C=C\c1cnc(-c2ccco2)s1)c1cccc(F)c1F 789147027 FKSWWYLKLDBZBX-SREVYHEPSA-N 317.316 4.577 30 20 DJED C=CCC(C)(C)C(=O)OCc1ccc(Cl)c2cccnc12 796455001 KPEGKFMRJQJFFT-UHFFFAOYSA-N 303.789 4.534 30 20 DJED N#CCCCCCC(=O)OCCc1cc(Cl)cc(Cl)c1 805696392 FZDAETPMBFMHCI-UHFFFAOYSA-N 314.212 4.553 30 20 DJED CC(C)(C)C[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 842786025 YIAICDACFNJRNK-XQQFMLRXSA-N 318.486 4.689 30 20 DJED CCCCCCC[C@H](C)N[C@H](C(=O)O)c1ccc(F)c(C)c1 901844038 SEGRAGGLPUZQMB-YOEHRIQHSA-N 309.425 4.598 30 20 DJED Cc1cc(C)cc(NN=Cc2ccccc2Br)c1 916346570 IYNZRTRGYPODBI-UHFFFAOYSA-N 303.203 4.512 30 20 DJED C=C(Cl)COc1ccc(C(C)=NNc2ccccc2)cc1 917530344 FYSUDCFXSMEIKQ-UHFFFAOYSA-N 300.789 4.654 30 20 DJED N#Cc1cc(S[C@H](c2ccccc2)c2ccc(F)cc2)ccn1 1186258109 GQRHSEXKBXIWAX-LJQANCHMSA-N 320.392 4.974 30 20 DJED Cc1cc(CN2CCC[C@H]2C[C@H]2C[C@H]3CC[C@H]2C3)ccc1C#N 1204907280 DVPNFGZHBXUZHX-YRLHULLVSA-N 308.469 4.657 30 20 DJED CN(CCc1ccc(C#N)cc1)Cc1cc(Cl)cc(Cl)c1 1208929938 XFFFIKLLLOBYHH-UHFFFAOYSA-N 319.235 4.540 30 20 DJED CC(C)CC[C@@H]1CCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 1214367695 FGOYXFXNVGLNEW-HNNXBMFYSA-N 319.836 4.644 30 20 DJED CCC[C@H](C)C(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@@H](C)CC2 1436545317 CKLSIRSWOYAFDS-SRVKXCTJSA-N 304.459 4.680 30 20 DJED Cc1ccc(C(C)(C)CN(C)Cc2ccc(C#N)cc2C)cc1 1459568606 BAADRMKKEYPWSL-UHFFFAOYSA-N 306.453 4.585 30 20 DJED CCN(CCCc1cccc(C)c1)[C@H](C)c1ccc(C#N)cc1 1473118052 URMVHZFZIJKWQH-GOSISDBHSA-N 306.453 4.882 30 20 DJED C=C(CNCc1cccc(C)c1Br)c1ccccc1 1473982487 PPRGBTAHSWZOEQ-UHFFFAOYSA-N 316.242 4.561 30 20 DJED N#Cc1cc(NC(=O)CC2CCCC2)ccc1Oc1ccccc1 1524133682 JWFSBLXSDKUAPC-UHFFFAOYSA-N 320.392 4.869 30 20 DJED CCN(C(=O)CCC1CCCCC1)c1ccc(C#N)c(Cl)c1 1535604859 DOAFCXYOTOQYQK-UHFFFAOYSA-N 318.848 4.925 30 20 DJED N#Cc1ccc(Br)c(COc2ccccc2Cl)c1 1613250303 HNKSAJOXDNIBIT-UHFFFAOYSA-N 322.589 4.553 30 20 DJED C[C@@]1(C#N)CCCN(Cc2cccc(Oc3ccc(F)cc3)c2)C1 1621196891 QRJYSEZVTHOGDU-FQEVSTJZSA-N 324.399 4.744 30 20 DJED Cc1nsc(NCC(c2ccccc2)c2ccccc2)c1C#N 1641965537 SLIKITYNZGEUOE-UHFFFAOYSA-N 319.433 4.567 30 20 DJED Cc1nc(NCC2(c3cccc(F)c3)CCCCC2)ccc1C#N 1642131782 UAZZHZGXCZCIGN-UHFFFAOYSA-N 323.415 4.715 30 20 DJED CCC[C@H]1CCCC[C@H]1CNc1nc(C)c(C#N)cc1Cl 1651945539 FJMBBYBVVJVJRX-KBPBESRZSA-N 305.853 4.934 30 20 DJED N#Cc1ccc2c(c1)CCCN2C/C=C/c1ccc(Cl)cc1 1653730706 UDAHMSCNHMUEBP-HNQUOIGGSA-N 308.812 4.678 30 20 DJED CC[C@@H]1CCC[C@H](CN2CCC(c3ccc(C#N)cc3)CC2)C1 1665780861 SUCNGLYINJELGZ-MJGOQNOKSA-N 310.485 4.954 30 20 DJED O=C(O)c1ccccc1NN=Cc1ccc(-c2ccccc2)s1 1776029885 FQCGGWSETJTCKR-UHFFFAOYSA-N 322.389 4.559 30 20 DJED Cc1cc(C)cc(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 14500528 ADVJWHAVWMOTCG-UHFFFAOYSA-N 324.449 4.758 30 20 DJED C[C@@H](Nc1snc(Cl)c1C#N)c1cc2ccccc2o1 48546292 ZTYBAIZFNQHAFJ-MRVPVSSYSA-N 303.774 4.587 30 20 DJED COc1ccc(C(=O)/C=C/c2ccccc2OC(C)C)cc1F 57645246 WLBLDFXDFDKFIH-CSKARUKUSA-N 314.356 4.518 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2csc(-c3cccs3)n2)cc1 78481731 KYOAHOZDMXFDGE-BQYQJAHWSA-N 322.414 4.639 30 20 DJED CCOc1cc(/C=C\C(=O)c2ccc3ccccc3c2)ccc1O 96298653 YWMKLQATSJXARD-XFFZJAGNSA-N 318.372 4.840 30 20 DJED Cc1ccccc1NC(=O)[C@H](C)S[C@H](C)c1ccc(C#N)cc1 118444960 SHNKMGOADBZWEN-CABCVRRESA-N 324.449 4.688 30 20 DJED C[C@H](NCCCCC#N)c1ccc(SCC(F)(F)F)cc1 178640790 RWHPSFNXCRQWKA-LBPRGKRZSA-N 316.392 4.685 30 20 DJED CCN(CC)Cc1cccc(N[C@@H](C)c2ccc(C#N)cc2)c1 192805281 DVJROPANPAWAHP-INIZCTEOSA-N 307.441 4.573 30 20 DJED CCOc1ccc(/C=C\C(=O)c2cccc(F)c2)cc1OCC 207683765 IJRPXGKQGSDJKS-NTMALXAHSA-N 314.356 4.519 30 20 DJED COc1ccccc1C(C)=NNc1nc(-c2ccccc2)cs1 254758019 JDIUMQDWTNGIOM-UHFFFAOYSA-N 323.421 4.655 30 20 DJED CC[C@H](Nc1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 266764657 WNMOHWOOKQXLGJ-NSHDSACASA-N 311.332 4.597 30 20 DJED C[C@H](Nc1cccc(OCCCC#N)c1)c1ccc2c(c1)COC2 272030254 RSWPLWQGPFZHPF-HNNXBMFYSA-N 322.408 4.572 30 20 DJED Cc1cc(C#N)cc(N[C@H]2C[C@H](C)Sc3sccc32)c1 308117114 BOLANNMZFGYYQZ-NHYWBVRUSA-N 300.452 4.966 30 20 DJED Cc1ccc(CNc2c(C#N)cnc3c(F)cc(F)cc23)c(C)c1 352325088 MQQHMJXSLWOBQR-UHFFFAOYSA-N 323.346 4.614 30 20 DJED N#CCCCOc1cccc(N[C@H]2CCCc3sccc32)c1 387240771 QMDYWGGXGVDXAD-KRWDZBQOSA-N 312.438 4.920 30 20 DJED C=CC[C@H](CC)NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F 410138810 IBCZUNNGXOOPMB-OLZOCXBDSA-N 313.363 4.670 30 20 DJED C[C@H](NC(=O)CC1(C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 428157655 IQRRVCKUPDWSGL-HNNXBMFYSA-N 318.420 4.593 30 20 DJED C[C@H]1CCCN(c2ccccc2OCCCC(C)(C)C#N)C1 433607085 VFBSEJQIDLYLEQ-INIZCTEOSA-N 300.446 4.632 30 20 DJED C=CCCCC(=O)N1CCc2cc(Cl)cc(Cl)c2[C@@H]1C 434152711 HKWYPVAPKHRVHQ-NSHDSACASA-N 312.240 4.795 30 20 DJED CC[C@@H](NC1CCC(C)(C#N)CC1)c1ccccc1OC(F)F 449079406 YPRUAQRKRKGANT-NSWWBONSSA-N 322.399 4.801 30 20 DJED CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@@H](C)c1cccc(C#N)c1 463817249 KLSHHWCXIKGSKI-OXJNMPFZSA-N 320.436 4.517 30 20 DJED N#Cc1cc(CNc2ccc3c4c(cccc24)CC3)ccc1F 467763076 GIWQURUOXZLMOC-UHFFFAOYSA-N 302.352 4.561 30 20 DJED C[C@H](c1cc2ccccc2o1)N(C)Cc1ccc(C#N)c(F)c1 483522645 HEOWZERXKXPPLP-CYBMUJFWSA-N 308.356 4.637 30 20 DJED C[C@H](NCc1ccccc1C(C)(C)C#N)[C@@H](C)c1ccccc1 495401024 IEFREBMNMJNVQQ-SJORKVTESA-N 306.453 4.770 30 20 DJED CCCN(C(=O)Nc1ccc(C#N)cc1)[C@@H](CC)c1ccccc1 520153464 INCJMWIJYBQWNC-IBGZPJMESA-N 321.424 4.953 30 20 DJED C=CCCNc1cc(C(=O)N(C)c2ccccc2)ccc1Cl 525358144 ZRYUUXVPHNGTOX-UHFFFAOYSA-N 314.816 4.605 30 20 DJED N#Cc1cc(F)ccc1CN[C@H](c1ccccc1)C1CCCC1 533521208 FAVDDURJYUPEHI-HXUWFJFHSA-N 308.400 4.718 30 20 DJED CC(C)(CCC#N)CN[C@@H](c1ccccc1F)C1CCCC1 554366396 MXPGVHWPYXNBLM-GOSISDBHSA-N 302.437 4.977 30 20 DJED C=CCn1c([C@H](C)CC)nnc1N1CCC[C@@H]1c1cccc(C)c1 565273904 PXADPMFPDNGYIJ-SJLPKXTDSA-N 324.472 4.628 30 20 DJED C[C@H](N[C@H]1CCc2sc(Cl)cc21)c1ccc(C#N)cc1F 567024885 BZWWDQFZXPCUCP-XPTSAGLGSA-N 320.820 4.750 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)c2cccc3c2CCCC3)n1 583006723 NSMVYMKDHBVYSS-INIZCTEOSA-N 324.449 4.635 30 20 DJED N#CCCCCCC(=O)Nc1ccc(NC2CCCCC2)cc1 588156457 ODBOESGVZXWDDF-UHFFFAOYSA-N 313.445 4.844 30 20 DJED C=CCN(CC=C)C(=O)NCc1cccc(-c2cccc(C)c2)c1 588726887 PWPZOXVDUNSWPZ-UHFFFAOYSA-N 320.436 4.546 30 20 DJED COc1cc(C)c(-c2ccc(C3(C#N)CCOCC3)cc2)cc1C 592987573 XMKRNJAERRRPBB-UHFFFAOYSA-N 321.420 4.551 30 20 DJED CCc1cc(C#N)c(NC(=O)[C@@H](C)c2ccc(Cl)cc2)s1 593036855 IUTXZOXCINILJX-JTQLQIEISA-N 318.829 4.578 30 20 DJED CCc1ccccc1NC(=S)Nc1ccc(C#N)c(Cl)c1 726438965 GUBIHSCIMDKHOV-UHFFFAOYSA-N 315.829 4.583 30 20 DJED CC(=NOCc1ccccc1)c1ccc(Cl)c(Cl)c1O 727651088 HRFJJUBPPDZMSL-UHFFFAOYSA-N 310.180 4.640 30 20 DJED O=C(/C=C\c1cccc(F)c1)c1nc(-c2ccccc2)cs1 730086295 ZLFXBBSZSLPHLM-KTKRTIGZSA-N 309.365 4.845 30 20 DJED CCCCCCCCOCC(=O)N1CCc2sccc2[C@@H]1C 741524908 HUFHWVWUDSLSEV-HNNXBMFYSA-N 323.502 4.571 30 20 DJED Cc1ccc(-c2nc(/C=C/C(=O)c3ccc(C)s3)co2)cc1 749892207 SUKALHZKTLREOL-CMDGGOBGSA-N 309.390 4.916 30 20 DJED C=CCN(C(=O)Cc1csc2ccc(Cl)cc12)C(C)C 751887920 AVBMKAFLQXHHGZ-UHFFFAOYSA-N 307.846 4.520 30 20 DJED CC(C)c1nc(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)co1 752888512 LXQZWMQYYZEXGH-YVMONPNESA-N 309.287 4.713 30 20 DJED N#Cc1ccccc1CNc1ccc(OCc2ccccc2)cc1 753361314 ZSVLMWGGXDAFIK-UHFFFAOYSA-N 314.388 4.749 30 20 DJED Cc1cc2cc([C@H](C)NCc3ccc(C#N)cc3)oc2cc1C 765013876 UFMPWCOHYVCHFG-HNNXBMFYSA-N 304.393 4.772 30 20 DJED C=C(Cl)COc1ccc([C@H](C)N[C@H](C)c2ccc[nH]2)cc1 773114960 DKTDNFRPMRQOBN-UONOGXRCSA-N 304.821 4.558 30 20 DJED C#CCCCCC(=O)N(CCC)[C@H](C)c1cc2ccccc2o1 773274569 DYHDXCMXDNBFAG-MRXNPFEDSA-N 311.425 4.926 30 20 DJED C=C(C)[C@@H](N[C@@H](C)c1ccnc(Cl)c1)c1ccc(F)c(F)c1 775559474 ZSYIOEVKRAMSFI-APPDUMDISA-N 322.786 4.981 30 20 DJED Cc1ccc([C@@H](NCc2cc(C#N)ccc2F)C2CCC2)cc1 779036717 QPHHWTKBQVDZOY-FQEVSTJZSA-N 308.400 4.637 30 20 DJED C#CCCCCCC(=O)N(C)Cc1cccc(Cl)c1Cl 779736892 ZIOUPOBAFPVTTR-UHFFFAOYSA-N 312.240 4.536 30 20 DJED CC(C)O[C@H](C=NNc1ccc2ccccc2n1)c1ccccc1 792881986 AWKFFEJGAKXKHH-LJQANCHMSA-N 319.408 4.799 30 20 DJED CCCCCC[C@H](C)NC(=O)C[C@H](CC#N)c1ccccc1 792931250 GSKYYAREHNDNMA-WMZOPIPTSA-N 300.446 4.549 30 20 DJED CC(C)n1nccc1/C=C/C(=O)c1ccc(SC(F)F)cc1 794943267 WMFFMSACVDVXSE-VMPITWQZSA-N 322.380 4.675 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(Cl)s2)c(C)c1OC 806568757 AXZGELOOIXXUJY-GQCTYLIASA-N 322.813 4.623 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)/C(F)=C/C2CCCCC2)n1 815970620 FAVQXFXBZDLQAR-IAOKNECISA-N 320.433 4.876 30 20 DJED CCCCCCCCC(=O)NCCc1cccc2cccnc12 886880254 JHPAKGCEMOXTOL-UHFFFAOYSA-N 312.457 4.644 30 20 DJED CCCCCCCCCNC(=O)Cc1cccc2cccnc12 913037286 ZYMKPYHFQUHMGJ-UHFFFAOYSA-N 312.457 4.644 30 20 DJED CCCCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC 916134307 KPCNFKOXRPNNLE-ZRDIBKRKSA-N 310.393 4.770 30 20 DJED COc1c(F)cc(N=Cc2c(O)ccc3ccccc23)cc1F 917558117 HDDFSJVGZYBXCA-UHFFFAOYSA-N 313.303 4.583 30 20 DJED CCC(=NNc1cccc(Cl)c1F)c1cccc([N+](=O)[O-])c1 921137723 HTFBKNYOSOROSQ-UHFFFAOYSA-N 321.739 4.614 30 20 DJED CCC(C)(C)c1ccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 1124844148 SPZKZYDXDPPKFX-OAHLLOKOSA-N 320.436 4.737 30 20 DJED CSc1ccc(Nc2ccc(Cl)c(C#N)n2)cc1Cl 1185603034 NTQMOZSQLOVHTG-UHFFFAOYSA-N 310.209 4.726 30 20 DJED C[C@H]1CC(C)(C)c2cccc(NC(=O)c3ccsc3C#N)c21 1289125895 YTPHIHKNHGZVRC-NSHDSACASA-N 310.422 4.657 30 20 DJED COc1cc(CNc2ccccc2OCCC(C)C)ccc1C#N 1308448358 GYYHCELQMHDKEU-UHFFFAOYSA-N 324.424 4.604 30 20 DJED Cc1ccc(NC(=O)c2ccc(CC#N)cc2)c(Cl)c1Cl 1323079036 CZQHCHNYLTXYPP-UHFFFAOYSA-N 319.191 4.620 30 20 DJED CC(C)(C#N)CCCOC(=O)c1ccc(-c2cccs2)s1 1326599010 DIXICZUMAGOHFY-UHFFFAOYSA-N 319.451 4.963 30 20 DJED CCC[C@@H](C(=O)N(CC(C)C)c1ccc(C#N)cc1)C(C)C 1358199232 QATCSPPFKBLOIH-GOSISDBHSA-N 300.446 4.620 30 20 DJED CC1(CC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCCCC1 1361171228 RMWNUNNAFVDXIE-UHFFFAOYSA-N 324.346 4.876 30 20 DJED Cc1ccccc1[C@H](Nc1ccc(C#N)nn1)[C@H]1CCC[C@H](C)C1 1458167967 AAGHHZHFZMGRDZ-DKICVRJWSA-N 320.440 4.636 30 20 DJED CC(C)(C)Oc1ccc(NC(=O)[C@H]2CC[C@H](C)CC2)cc1C#N 1460245676 PSVDMVSMHQCCEQ-HDJSIYSDSA-N 314.429 4.500 30 20 DJED CCCCN(Cc1ccc(C#N)cc1F)[C@@H]1CCC[C@@H](C)C1 1462280490 CBYMEVUPCPPVNM-CRAIPNDOSA-N 302.437 4.878 30 20 DJED CCC[C@@H](C)N(C)C(=O)Nc1scc(C(C)(C)C)c1C#N 1466647337 SGASXAKMCMBKTD-LLVKDONJSA-N 307.463 4.570 30 20 DJED CN(Cc1cccc(C#N)c1)CC1CCC(c2ccccc2)CC1 1474401970 ZZUDEYCAUJFNGZ-UHFFFAOYSA-N 318.464 4.964 30 20 DJED CCc1c(C)sc(NC(=O)C2C[C@@H](C)C[C@H](C)C2)c1C#N 1536890089 SIIIFAVRDOHYSJ-QWRGUYRKSA-N 304.459 4.501 30 20 DJED CC[C@@H](OC(=O)[C@@H](C)Cc1ccc(C#N)cc1)c1ccc(C)cc1 1537839333 ZBLOIGIAJWVTDY-OXJNMPFZSA-N 321.420 4.740 30 20 DJED CC(C)CN(Cc1cc2ccccc2o1)c1ccc(C#N)cc1 1559620511 FMJINAFZUKHXBF-UHFFFAOYSA-N 304.393 4.967 30 20 DJED CCC[C@H](C(=O)O[C@H]1CCC[C@H](C#N)C1)c1cccc(Cl)c1 1584703730 WZLUHDHAGYWDKH-JQFCIGGWSA-N 319.832 4.849 30 20 DJED CC(C)(C)[C@H]1CN(Cc2ccc(CC#N)cc2)c2ccccc21 1645453292 JCMNNTLKUTYSDA-IBGZPJMESA-N 304.437 4.903 30 20 DJED CCc1ccc(CCN(CC)[C@H](C)c2ccc(C#N)cc2)cc1 1653200508 QIGQHNOLTVHMIV-QGZVFWFLSA-N 306.453 4.746 30 20 DJED Cc1ccccc1CN(Cc1ccccc1)CC1(CC#N)CC1 1657098284 DWBZBEYPYMLQPT-UHFFFAOYSA-N 304.437 4.691 30 20 DJED CCCC[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)C1CCC1 1659883954 SSMZYCCALMGZRH-HNNXBMFYSA-N 319.836 4.692 30 20 DJED CN(Cc1cccc(Cl)c1Cl)Cc1cccc(F)c1C#N 1663795174 PUDADEJCALVAPO-UHFFFAOYSA-N 323.198 4.636 30 20 DJED C[C@@H](NCc1ccc(C#N)s1)c1cc(Cl)ccc1Cl 189270133 QVDUEELROOORHR-SECBINFHSA-N 311.237 4.777 30 20 DJED Cc1coc(-c2ccc(C)c(NCc3ccc(C#N)c(F)c3)c2)n1 190389166 OXKHNHUDTQJSJA-UHFFFAOYSA-N 321.355 4.581 30 20 DJED C=CCCC(=O)Nc1cnn(-c2ccccc2Cl)c1C(C)C 192159453 SAPNXCAXSQHZAW-UHFFFAOYSA-N 317.820 4.554 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1cc(C)ccc1C 193239248 PIQKCKYIMGFBKJ-UHFFFAOYSA-N 300.427 4.585 30 20 DJED CC[C@H](/N=C(/O)c1csc(C(C)(C)C)n1)c1c(C)noc1C 330473681 QLPNQORJCQHLFV-NSHDSACASA-N 321.446 4.501 30 20 DJED CC[C@H](C)Sc1ccc(NC(=O)C2(C#N)CCCC2)c(C)c1 330739756 QLCYONZZQWVORW-AWEZNQCLSA-N 316.470 4.908 30 20 DJED C=CCC(C)(C)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 429884840 BVOQAZFVWCRWOB-CYBMUJFWSA-N 309.862 4.595 30 20 DJED C[C@@H](c1ccco1)N(Cc1ccc(C#N)cc1Cl)C1CC1 439439183 FAPYWDDFKSHNRM-LBPRGKRZSA-N 300.789 4.530 30 20 DJED C[C@H](NCC1(c2ccccc2)CCCC1)c1ccc(C#N)cc1 439556785 HQYSYXUUWMOGQM-KRWDZBQOSA-N 304.437 4.721 30 20 DJED C=CCCC[C@H](C)NC(=O)CC(C)(C)CC(=O)c1ccccc1 442891992 DAPSPANAHXFKMP-INIZCTEOSA-N 315.457 4.537 30 20 DJED CC[C@H](NCc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 447509613 GHGXTCQVCYBMFG-KRWDZBQOSA-N 318.342 4.818 30 20 DJED C=CCN(Cc1cccs1)C(=O)[C@H](c1ccccc1)C(C)C 448134789 NMRVMEBVPPBGQK-SFHVURJKSA-N 313.466 4.703 30 20 DJED N#Cc1ccccc1CN[C@H](c1ccc(F)c(Cl)c1)C1CC1 449451350 QZLSQAIQPDYTHF-SFHVURJKSA-N 314.791 4.592 30 20 DJED C=CCOCCCC(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C 463358554 FEQVZOUFEIAWCD-FQEVSTJZSA-N 317.473 4.606 30 20 DJED C=CCCN(C)C(=O)Nc1cccc(OCc2cccc(C)c2)c1 466553767 SXFMUWARNQFGOC-UHFFFAOYSA-N 324.424 4.614 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C 467964251 JIWYQSIUMYVDJE-UZLBHIALSA-N 314.473 4.915 30 20 DJED CC(C)(C#N)c1ccc(C(=O)N2CCC[C@@H]2C2CCCCC2)cc1 474960516 AEBACCFIFCTWLU-LJQANCHMSA-N 324.468 4.673 30 20 DJED CC(C)(C#N)c1ccccc1COc1cccc2c1CCCC2=O 486919792 JLEXWSDVNQXLAO-UHFFFAOYSA-N 319.404 4.586 30 20 DJED C=CCCCCCN(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 488293363 FWHBCAUXTYLODD-MOPGFXCFSA-N 305.437 4.724 30 20 DJED CCC(CC)CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 505314281 MTUQNSONZBRBND-CYBMUJFWSA-N 313.228 4.501 30 20 DJED Cc1cc(CNc2cccc(F)c2C#N)c2[nH]c(C)c(C)c2c1 507021361 JJGSMLZNSHDYCP-UHFFFAOYSA-N 307.372 4.716 30 20 DJED C=CCN(C(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12)C1CC1 539033690 QZFCSUGNSKXXTE-UHFFFAOYSA-N 320.436 4.520 30 20 DJED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1F 552969325 MTOOFFHXIMHTNA-HXPMCKFVSA-N 312.363 4.565 30 20 DJED N#Cc1cccnc1S[C@@H](c1ccccc1)c1ccc(F)cc1 554892705 GRZAMTAIDKBWGM-SFHVURJKSA-N 320.392 4.974 30 20 DJED CC[C@@H](NCc1ccc(C#N)c(OC)c1)c1ccc(Cl)s1 562102903 HNUPMTGLMZWDIF-CYBMUJFWSA-N 320.845 4.523 30 20 DJED Cc1cc(NC(=O)c2sc3ccc(C#N)cc3c2C)ccc1F 570532216 GDVORRUJDUWXKM-UHFFFAOYSA-N 324.380 4.781 30 20 DJED CCCCN(C(=O)CCCCCC#N)[C@H](C)c1ccc(C)o1 588328334 YHNHSNIRQPGLRA-MRXNPFEDSA-N 304.434 4.752 30 20 DJED Cc1cc(C#N)ccc1CSCc1nc2ccccc2s1 614394696 IVJFACHMGAVOBC-UHFFFAOYSA-N 310.447 4.910 30 20 DJED C=CCCc1ccccc1NC(=O)N1CC(C)(c2ccccc2)C1 621464707 GJDHRCOLGXRRQS-UHFFFAOYSA-N 320.436 4.611 30 20 DJED C/C(=C\C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C1CC1 731331961 YDPCUECVGSDZBQ-SDNWHVSQSA-N 318.376 4.645 30 20 DJED CCc1oc2ccccc2c1C=NOCc1cccnc1Cl 733192954 TUKFHPUXPUFIGQ-UHFFFAOYSA-N 314.772 4.594 30 20 DJED CC(C)(C(=O)Oc1ccc(C#N)cc1)c1ccc2ccccc2c1 741880359 IIKLTEBUNDZABM-UHFFFAOYSA-N 315.372 4.595 30 20 DJED CCCCCC[C@@H](C)C(=O)N(CCC)Cc1ccc(C#N)cc1 741900369 UYRYLHFXEGBYAU-QGZVFWFLSA-N 314.473 4.903 30 20 DJED Cc1c([C@@H](C)OC(=O)c2cc(C#N)cs2)oc2ccccc12 752180318 GNILCIFWJVJUFC-LLVKDONJSA-N 311.362 4.592 30 20 DJED CC(C)(CCC#N)CN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 753593321 XSFJWGMHFZBCSA-HNNXBMFYSA-N 324.390 4.825 30 20 DJED COc1cc(C)c([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1C 753631958 HQASQQGUBVLXET-HOTGVXAUSA-N 308.425 4.596 30 20 DJED C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)CC(F)(F)F)cc1 768271170 KBMOHAZHPCHKPG-VXGBXAGGSA-N 321.770 4.809 30 20 DJED N#Cc1cccc(C(=O)/C=C\c2ccc(F)cc2C(F)(F)F)c1 771859553 QJBDNTQCLYVSCA-ALCCZGGFSA-N 319.257 4.612 30 20 DJED C#CC[C@H](N[C@H](C)c1sc(C(C)C)nc1C)c1ccccc1 773115167 MTDWDQRNWQMQSU-PBHICJAKSA-N 312.482 4.990 30 20 DJED CCCCC[C@H](CC)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 775656196 BRUWVEUUOZPNJE-SFHVURJKSA-N 312.457 4.656 30 20 DJED CC(=NNc1cc(Cl)ccn1)c1ccc(C(F)(F)F)cc1 777906118 SDTYBIBNUNTZIN-UHFFFAOYSA-N 313.710 4.590 30 20 DJED Cc1nc2cc(NCc3ccc(O[C@H](C)C#N)cc3)ccc2s1 781417420 UOUAQFPEUOIKMN-GFCCVEGCSA-N 323.421 4.508 30 20 DJED O=C(/C=C/c1c(Cl)nc2ccccn12)c1csc(Cl)c1 787185506 BPUURQROUQHUAK-SNAWJCMRSA-N 323.204 4.599 30 20 DJED CC(C)N(C)c1ccc(/C=C\C(=O)c2coc3ccccc23)cn1 790226028 ZDLRCMKYMIGEIG-NTMALXAHSA-N 320.392 4.569 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=S)Nc1ccsc1 794993930 DDYVBOFDPMHQLA-UHFFFAOYSA-N 302.468 4.523 30 20 DJED CC[C@@H]1CCCC[C@@H]1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 796747506 PMXVUGIBLLSRJS-RDBSUJKOSA-N 304.459 4.659 30 20 DJED COc1cc(/C=C\C(=O)c2cc(C)c(C)o2)ccc1SC 799895324 AGYUKCGNKGUZLI-ALCCZGGFSA-N 302.395 4.523 30 20 DJED CCCC[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 800388197 ZFHLZPNIKBALDW-HIFRSBDPSA-N 312.438 4.813 30 20 DJED N#C[C@@H](C(=O)CCCC1CCCC1)c1nc(C2CC2)cs1 842942384 YCXQYYCDSDIJIB-AWEZNQCLSA-N 302.443 4.557 30 20 DJED COc1cc(F)cc(NN=C[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 853319430 SPWGEGJJXXMCHL-MNOVXSKESA-N 318.314 4.601 30 20 DJED COc1ccc(Cl)cc1/C=C/C(=O)c1cc2ccccc2o1 917143544 JGIIFLKCCDCVCE-SOFGYWHQSA-N 312.752 4.991 30 20 DJED C=CCN(C(=O)N[C@H](c1ccccc1)C(CC)CC)C(C)C 918069447 XEKANJCEAUEHCY-SFHVURJKSA-N 302.462 4.770 30 20 DJED COc1ccc(C(=O)/C=C\c2cccc(OC(C)C)c2)c(F)c1 921258850 DFFSQOLLDRSJLO-YFHOEESVSA-N 314.356 4.518 30 20 DJED Cc1ccc([C@@H]2CCC[C@H]2Nc2ccc(OCC#N)cc2)cc1 1116639411 MBYDRDFRSKRDBG-VQTJNVASSA-N 306.409 4.646 30 20 DJED C=C(CC)C(=O)N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C 1123663836 VYKYIRWLUUSGRC-AWEZNQCLSA-N 314.454 4.604 30 20 DJED CC(C)O[C@@H](COc1cc(Cl)ccc1C#N)c1ccccc1 1165851516 UYHJBCXKBWHLOJ-SFHVURJKSA-N 315.800 4.757 30 20 DJED CC[C@H](Cc1ccc(C(F)(F)F)cc1)NCC(C)(C)CC#N 1182261061 IOSKFYSBNVCLKQ-OAHLLOKOSA-N 312.379 4.556 30 20 DJED N#CC1(CSc2nccn2-c2cccc(Cl)c2)CCCC1 1188530444 LKHCTEADSYQJMG-UHFFFAOYSA-N 317.845 4.702 30 20 DJED C=C(Cl)CN(CC)[C@H](C)Cc1ccc(C(F)(F)F)cc1 1196313220 QSIVKKLVKPLDMW-GFCCVEGCSA-N 305.771 4.711 30 20 DJED CCC[C@@H]1CCCC[C@@H]1CNC(=O)Nc1cc(C#N)ccc1C 1201424630 YCEKTOZTSHUIKL-IAGOWNOFSA-N 313.445 4.595 30 20 DJED CCC[C@@H](Cc1ccccc1)N[C@H]1CCCc2cc(C#N)ccc21 1308825326 LZMPJPCWJRLAAF-UNMCSNQZSA-N 318.464 4.937 30 20 DJED CSc1ccccc1C(=O)/C=C/c1coc(-c2ccccc2)n1 1321179579 GHHZJGKNBXVFCW-VAWYXSNFSA-N 321.401 4.960 30 20 DJED C[C@@H](OC(=O)c1ccc(-c2cccs2)s1)C(C)(C)C#N 1342580177 ILKALDMLIVOJEB-SNVBAGLBSA-N 305.424 4.572 30 20 DJED CC(C)(C)[C@@H]1CN(Cc2ccc(F)cc2C#N)c2ccccc21 1460029637 MVOHUAHRTVJBCD-GOSISDBHSA-N 308.400 4.847 30 20 DJED C=C(Br)CSc1nc2cc(Cl)cc(C)c2o1 1559373469 MKFVMUBXJKLSGA-UHFFFAOYSA-N 318.623 4.790 30 20 DJED Cc1cc(CN[C@@H]2c3ccccc3CC[C@@H]2C(C)C)ccc1C#N 1560433668 UGYIGVYCMLFZKE-IRLDBZIGSA-N 318.464 4.916 30 20 DJED CCC(C)(C)c1ccc(COC(=O)c2csc(C#N)c2)cc1 1583540765 LSHGLXRRXBOHPW-UHFFFAOYSA-N 313.422 4.664 30 20 DJED CC1(C)C[C@@H](Sc2nc(-c3ccccc3)ccc2C#N)CCO1 1613548724 YROAJLMXSHLFGF-INIZCTEOSA-N 324.449 4.670 30 20 DJED C[C@H](c1ccc(C#N)cc1)N(C)Cc1csc2ccccc12 1641497833 LCRGZJULLZGSRF-CQSZACIVSA-N 306.434 4.966 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1ccccc1C1CC1 1652383638 PTBIPBUOOBMXTJ-UHFFFAOYSA-N 304.437 4.846 30 20 DJED COc1cc(CN[C@@H](CC(C)C)c2ccccc2C)ccc1C#N 1655620916 ITZLJPUIXWHUCL-FQEVSTJZSA-N 322.452 4.752 30 20 DJED C[C@@H](Cc1cccc(C(F)(F)F)c1)Nc1cc(F)cc(C#N)c1 1660486296 DEELVYOHFURNAF-NSHDSACASA-N 322.305 4.759 30 20 DJED O=C(O)c1ccc(NN=C2CCC[C@H](c3ccccc3)CC2)cc1 1776012228 JZPGNOOFENHNDG-INIZCTEOSA-N 322.408 4.901 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1 25841125 YYIWNNQZIODUGA-UHFFFAOYSA-N 318.420 4.548 30 20 DJED CN(C(=O)c1ccc(C2CCCCC2)cc1)c1cccc(C#N)c1 63325609 VNFLIIXUAPEHSA-UHFFFAOYSA-N 318.420 4.883 30 20 DJED CC(C)(C#N)CCCSc1ccc(C#N)c(C(F)(F)F)c1 180388294 ZFRYEPFGOAGAID-UHFFFAOYSA-N 312.360 4.999 30 20 DJED C=C(C)[C@@H](N[C@H](C)c1cc(F)ccc1O)c1ccc(F)c(F)c1 186449852 JUXWBVBLDMWMTE-ADLMAVQZSA-N 321.342 4.778 30 20 DJED CC(C)[C@@H]1CCCN(c2ccc(C#N)c(Br)c2)CC1 228188627 IAHMJWAEXPJOAQ-CYBMUJFWSA-N 321.262 4.583 30 20 DJED C[C@@H]1CCC[C@H](Nc2ccc(C#N)c(Br)c2)CC1 235359395 MKCWPJJYKDWTGN-YPMHNXCESA-N 307.235 4.701 30 20 DJED FC(F)(F)c1cccc(CON=Cc2ccc(Cl)cc2)c1 250074989 JJLKPNLEWGOOOJ-UHFFFAOYSA-N 313.706 4.910 30 20 DJED Cc1cccc([C@H](C)/N=C(/O)Nc2scnc2C2CC2)c1C 328920318 LSSYNTPUXIOJHY-LBPRGKRZSA-N 315.442 4.724 30 20 DJED Cc1nc2cc(/C(O)=N/C[C@@H]3CCCCC(F)(F)C3)ccc2o1 329163525 GIECMBUAULBSDX-GFCCVEGCSA-N 322.355 4.656 30 20 DJED Cc1ccc2c(C(=O)N(CCC#N)CC(C)(C)C)csc2c1 359877462 OGEUHGXKKJUXMT-UHFFFAOYSA-N 314.454 4.612 30 20 DJED C=CCC(C)(C)C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 431896839 UKHKGABXLSWIAN-UHFFFAOYSA-N 310.397 4.760 30 20 DJED N#Cc1ccc(CN[C@@H](c2cccs2)C2CC2)c(Cl)c1 439429969 JVCIYVKIUVVZNL-MRXNPFEDSA-N 302.830 4.514 30 20 DJED COc1cc(CNc2ccccc2OC2CCCC2)ccc1C#N 440629953 ZZJQFVZCTGHIMO-UHFFFAOYSA-N 322.408 4.500 30 20 DJED N#C[C@H]1CC[C@H](Nc2cccc(OCc3cccc(F)c3)c2)C1 442871093 HANHPTYPJJKNCX-KSSFIOAISA-N 310.372 4.509 30 20 DJED C=C(C)CCNC(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 454803986 FTNRUIIQKFRZAH-UHFFFAOYSA-N 313.401 4.553 30 20 DJED C=CC[C@H]1N(C(=O)c2ccc3ncsc3c2)CCCC1(C)C 470277190 KHQTXCJPTMHXPV-MRXNPFEDSA-N 314.454 4.503 30 20 DJED CCN(CCc1cccs1)Cc1ccccc1C(C)(C)C#N 487373235 YWFRZEBKUZKTOB-UHFFFAOYSA-N 312.482 4.614 30 20 DJED C=C[C@H]1CCCCN1C(=O)N[C@H](CC)c1ccc(Cl)s1 495206886 AISOKOXVRJMGCB-NWDGAFQWSA-N 312.866 4.603 30 20 DJED N#C[C@@H](NC(=O)CCCC1CCCCC1)c1ccccc1Cl 499962401 YZHDYYMITHRMER-QGZVFWFLSA-N 318.848 4.771 30 20 DJED Cc1ccc([C@H](C)N(C)Cc2cccc(OCCCC#N)c2)cc1 507195716 VLFAQBGZWGJXBG-SFHVURJKSA-N 322.452 4.871 30 20 DJED N#Cc1csc(CN2CC=C(c3ccccc3Cl)CC2)c1 507694718 NCKQIRIOIUIATK-UHFFFAOYSA-N 314.841 4.562 30 20 DJED C=C(C)CCc1noc(/C=C(\c2ccccc2)C(F)(F)F)n1 508617720 YQJOSJJASVVHNO-JLHYYAGUSA-N 308.303 4.681 30 20 DJED CC(C)(C#N)CCCCN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 511895667 YEFVTTLVGDDJBY-AQNXPRMDSA-N 310.485 4.975 30 20 DJED CC[C@@H](NCc1ccccc1COC(C)C)c1ccc(C#N)cc1 519623314 MUGBUSHTSQARFP-OAQYLSRUSA-N 322.452 4.724 30 20 DJED C=C[C@H](CC(=O)N[C@@H]1CCC[C@H](SCC)C1)c1ccccc1 534661093 ZSNRNONMGQIOCD-NXHRZFHOSA-N 317.498 4.527 30 20 DJED C=C[C@H](CC(=O)Nc1ccc(F)cc1OCC)c1ccccc1 536244691 PKIMJBIZQFUXAP-CQSZACIVSA-N 313.372 4.523 30 20 DJED Cc1ccc(C#N)c(Nc2cccc(CCC(F)(F)F)c2)n1 553109895 KKJJAXPZAJGFJX-UHFFFAOYSA-N 305.303 4.500 30 20 DJED C=CCCC1(C(=O)N2CCC[C@](C)(c3ccccc3)CC2)CC1 553195498 XKQNQUVSKATCEY-FQEVSTJZSA-N 311.469 4.703 30 20 DJED CC(C)(C#N)c1ccc(C(=O)Nc2cc(F)ccc2Cl)cc1 555344141 WCBRMZHQWOWCNQ-UHFFFAOYSA-N 316.763 4.533 30 20 DJED N#CCCOCCN(Cc1cccc2ccccc12)C1CCCC1 572859041 CWOZPFIBFZIVAX-UHFFFAOYSA-N 322.452 4.515 30 20 DJED CC(C)c1ccc2occ(C(=O)N[C@@](C)(C#N)C(C)(C)C)c2c1 582444306 YPFCIALPFZRFSC-IBGZPJMESA-N 312.413 4.614 30 20 DJED CC(C)Oc1ccccc1[C@H](C)NC1CCC(C)(C#N)CC1 584760889 PWMCAPOLWDQODB-LYGPFTKASA-N 300.446 4.597 30 20 DJED C[C@H](N[C@@H]1CC(C)(C)Oc2ccc(F)cc21)c1ccc(C#N)cc1 593717603 DMEVIKHZRROVCS-SCLBCKFNSA-N 324.399 4.650 30 20 DJED N#Cc1ccc(CSCc2cc(-c3ccccc3)on2)cc1 603440892 YSZXANWCNJUCPX-UHFFFAOYSA-N 306.390 4.647 30 20 DJED C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C(C)C)cc1 615077999 JGRUHGBGYPCTRA-UHFFFAOYSA-N 323.436 4.647 30 20 DJED CC(C)Cc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 618741050 BXLJEKPOSCSIKO-OAQYLSRUSA-N 304.437 4.534 30 20 DJED C=CCC[C@H](NC(=O)N1CCC2(CCC2)CC1)c1ccccc1 672470913 YFKMUQUQJKRRHG-SFHVURJKSA-N 312.457 4.670 30 20 DJED O=C1/C(=C\c2cnc(-c3ccccc3)s2)Cc2ccccc21 727264067 LPMZHWMIXMFQQD-PTNGSMBKSA-N 303.386 4.633 30 20 DJED CCOc1ccc(C(=O)/C=C\c2nccc3ccccc23)cc1 740764498 WYRIJKSNTBKCQE-QXMHVHEDSA-N 303.361 4.530 30 20 DJED CCC[C@@H](C)CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 749054816 NUPOQLHJVJUPOU-PWSUYJOCSA-N 320.845 4.952 30 20 DJED CC[C@@H](C)Oc1cc(/C=C\C(=O)c2cccs2)ccc1OC 749453442 TYNLEGJHYWAHBI-FNOHHLHBSA-N 316.422 4.830 30 20 DJED C#CCOc1ccc([C@H](C)N[C@@H](CC)c2ccc(OC)cc2)cc1 764615824 KVCJASOGJYSKJA-KKSFZXQISA-N 323.436 4.509 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1ccc(F)cc1Cl 767729436 PMWUTLXKSSXNDH-SOFGYWHQSA-N 320.795 4.769 30 20 DJED Cc1ccc(C(C)(C)CN[C@H](C)c2ccc(OCC#N)cc2)cc1 776154826 CBQBJATUPVNWQB-QGZVFWFLSA-N 322.452 4.526 30 20 DJED CCC(CC)[C@H]1C[C@@H](Nc2nc3ccccc3cc2C#N)CCO1 778008607 BOXCSABUGNKQCD-PKOBYXMFSA-N 323.440 4.502 30 20 DJED C[C@]1(c2ccccc2)CCC(=NNc2cnnc3ccccc23)C1 780226836 JLOQDXXYUMFCLL-FQEVSTJZSA-N 316.408 4.540 30 20 DJED CC(C)(C#N)CCCOC(=O)c1cc2c(F)cccc2s1 781952374 VJCPGSYMBYEUJF-UHFFFAOYSA-N 305.374 4.527 30 20 DJED C=C[C@H]1CCCCN1C(=O)c1sc2ccccc2c1Cl 785861801 LTEFSYUQIYNAAY-NSHDSACASA-N 305.830 4.735 30 20 DJED Cc1cc(C(=O)/C=C/c2ccc(N(C)C(C)C)nc2)c(C)s1 790214210 IDKJWFSHSAWALS-SOFGYWHQSA-N 314.454 4.501 30 20 DJED FC(F)(F)c1cnc(NN=C2CCC3(CC2)CC3)c(Cl)c1 792631235 GKZYUSZSTMJCBC-UHFFFAOYSA-N 317.742 4.876 30 20 DJED C#CCCCCCC(=O)Nc1ccc(-c2ccncc2)c(C)c1 794719167 IDRDWTDOVHULLE-UHFFFAOYSA-N 306.409 4.579 30 20 DJED Fc1cc(NN=C2CCC[C@H]2c2ccccn2)ccc1Cl 794914608 JMFNOIDTOPTFKH-LBPRGKRZSA-N 303.768 4.610 30 20 DJED CC[C@H](C#N)Oc1cccc(CN[C@@H]2C[C@H](C)c3ccccc32)c1 808707559 SDWKKRNWXZYZQR-LUQKVYGDSA-N 320.436 4.706 30 20 DJED CC(C)(C)c1cnc(/C=C/C(=O)c2nccc3ccccc23)s1 811697660 DQHIOAQXPDNANR-CMDGGOBGSA-N 322.433 4.885 30 20 DJED O=C(/C=C\c1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1F 821008967 VKOQLXUWYDPOGQ-POHAHGRESA-N 321.307 4.783 30 20 DJED C[C@@H](OC(=O)[C@@]1(C#N)CC12CCCC2)c1cccc(Cl)c1F 837903933 ZZTIAZRGCQYKRV-DIFFPNOSSA-N 321.779 4.557 30 20 DJED C[C@H](CCCC(F)(F)F)OC(=O)CC1(C#N)CCCCC1 850961476 FJFCPRXWLWVAJA-GFCCVEGCSA-N 305.340 4.515 30 20 DJED N#C[C@H]1CCCN(c2cc(C(F)F)nc3ccc(Cl)cc23)C1 895648145 KKJJVYOKTIAPGK-SNVBAGLBSA-N 321.758 4.566 30 20 DJED CCCCn1nc(C)c(C=NNc2cc(C)ccc2C)c1Cl 916345561 GGPJEKCQSFNOKO-UHFFFAOYSA-N 318.852 4.708 30 20 DJED CC(C)(CC(=O)N[C@@H]1CCc2cc(C#N)ccc21)C1CCCCC1 1128660958 WDIFBTLZMGFCNI-LJQANCHMSA-N 324.468 4.658 30 20 DJED Cc1cccc(C)c1[C@@H]1CCCN1c1nc(C#N)c(Cl)s1 1163705260 NUPHZIFYFWJMPK-ZDUSSCGKSA-N 317.845 4.627 30 20 DJED CCCCN(CCOc1ccccc1C#N)[C@H]1CCC[C@H](C)C1 1170679367 CIWNNPXLYWAPGX-HKUYNNGSSA-N 314.473 4.618 30 20 DJED CCC[C@H](CCc1ccccc1)NCc1ccc(C#N)c(F)c1 1254488395 VCYNWPHQLJUAJI-LJQANCHMSA-N 310.416 4.588 30 20 DJED C[C@@H]1CCCC[C@H]1CC(=O)Nc1cc2ccccc2cc1C#N 1275727008 ZNFCYFKYYLRTOQ-CABCVRRESA-N 306.409 4.866 30 20 DJED N#Cc1cccc(C#N)c1NC1CCC(c2ccc(F)cc2)CC1 1307095778 SGVZKDHTYKDGAB-UHFFFAOYSA-N 319.383 4.707 30 20 DJED N#Cc1ccc(CSc2ccc(Br)cc2)s1 1307266276 JYGDJQSEXLNMFI-UHFFFAOYSA-N 310.241 4.675 30 20 DJED CCCCc1nc(COc2c(C)cc(Cl)cc2C#N)cs1 1307358643 QKMLNZAQJOYXDP-UHFFFAOYSA-N 320.845 4.898 30 20 DJED C[C@H]1Sc2ccccc2N(Cc2cccc(C#N)c2F)[C@@H]1C 1307548813 MPQYXFCWUADMPJ-CHWSQXEVSA-N 312.413 4.587 30 20 DJED CC(C)(C)C[C@@H]1CCN(Cc2cc(Cl)ccc2OCC#N)C1 1307848064 SWFNIMKIKUFSFW-AWEZNQCLSA-N 320.864 4.500 30 20 DJED Cc1cc(C)cc(C(=O)/C=C\c2ccc(N3CCCC3)cc2)c1 1318372740 LAULVEMORDVCPI-YFHOEESVSA-N 305.421 4.800 30 20 DJED CC[C@H](C(=O)N1CCCc2cc(C#N)ccc21)C1CCC(C)CC1 1436399616 INDICXRRSOEPSI-KVWWFHCMSA-N 324.468 4.690 30 20 DJED N#Cc1cccc(C#N)c1Sc1ccc(Cl)c(Cl)c1 1458219650 MINKJPDWZIKUGG-UHFFFAOYSA-N 305.189 4.888 30 20 DJED CCC1(CC)CCN(c2c(Br)cccc2C#N)CC1 1458324612 HEFKSKYYVZGSMJ-UHFFFAOYSA-N 321.262 4.727 30 20 DJED CC(C)[C@@H]1CN(Cc2ccc(Cl)cc2C#N)c2ccccc21 1460045240 KIFWFYQPUPYPBM-SFHVURJKSA-N 310.828 4.971 30 20 DJED CCC[C@@H](CC)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1460243368 HPAYDHKDUNNYKJ-CYBMUJFWSA-N 302.418 4.500 30 20 DJED N#CC[C@H](C(=O)N[C@@H](C1CCCCC1)C1CCC1)c1ccccc1 1461142577 WKBVQYNVJMNTOR-PMACEKPBSA-N 324.468 4.549 30 20 DJED Cc1cc(C#N)cc(N[C@H](C)CCc2ccc(F)cc2F)c1 1462340414 XDUMXLLOUMZNQE-CYBMUJFWSA-N 300.352 4.578 30 20 DJED CC(C)CC[C@@H]1CCCCN1C(=O)Nc1ccc(C#N)c(F)c1 1466773406 YXDQRJHDEULJKV-INIZCTEOSA-N 317.408 4.520 30 20 DJED C[C@@H](COc1nc(C(C)(C)C)ccc1C#N)C1CCCCC1 1473048010 GRDWDMDZEQYGRU-AWEZNQCLSA-N 300.446 4.846 30 20 DJED CC[C@](C)(NCCC1(C#N)CCCCC1)c1ccc(F)cc1 1473706511 LGTODBZXQJUSJJ-SFHVURJKSA-N 302.437 4.905 30 20 DJED N#Cc1ccsc1C(=O)N[C@@H](CC1CCCC1)c1ccccc1 1536369606 VILHSLXMLSSOHW-KRWDZBQOSA-N 324.449 4.671 30 20 DJED Cc1cc(N[C@H](C)CC(C)(C)C)n2c(nc3ccccc32)c1C#N 1559207344 LCAZJCWHYDHMOK-CQSZACIVSA-N 320.440 4.904 30 20 DJED N#Cc1cc(F)ccc1CN1CC2(CCCC2)c2cccc(F)c21 1559746874 MKECYXWILXIALI-UHFFFAOYSA-N 324.374 4.668 30 20 DJED C[C@H](CCC#N)CN1CCC(C)(c2cccc(Cl)c2)CC1 1560786312 UBORUDMHCWIPGO-OAHLLOKOSA-N 304.865 4.633 30 20 DJED COc1cc(CN2CC[C@H](CC(C)(C)C)C2(C)C)ccc1C#N 1560882705 WUEOWQUAVDZFST-QGZVFWFLSA-N 314.473 4.604 30 20 DJED Cc1cc(NC(=O)C[C@@H](C)c2ccc(C(C)C)cc2)ncc1C#N 1586237600 UWLGUNSDVVUVBS-OAHLLOKOSA-N 321.424 4.517 30 20 DJED C[C@@H](NCC1(CC#N)CC1)c1ccccc1Oc1ccccc1 1616874168 KWEXXBCXXXMEJB-MRXNPFEDSA-N 306.409 4.823 30 20 DJED CC(C)CC1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1622780755 NDZBSMAUYYXXJR-UHFFFAOYSA-N 319.836 4.502 30 20 DJED N#Cc1cnc(Oc2cc(C(F)(F)F)ccc2Cl)c(F)c1 1639167460 NSBUYAMXLRUWQI-UHFFFAOYSA-N 316.641 4.557 30 20 DJED N#Cc1cccc2c1CCN2Cc1csc(C2CCCCC2)n1 1646298185 AHQONIWPAGDWMY-UHFFFAOYSA-N 323.465 4.625 30 20 DJED N#Cc1ccc(CN(Cc2ccc(F)cc2Cl)C2CC2)cc1 1653868295 NBGSZZHSIQFSFL-UHFFFAOYSA-N 314.791 4.515 30 20 DJED Cc1cccc(C)c1CSc1nc(C(F)(F)F)ccc1C#N 1656474689 VDCAURMLIQOIQM-UHFFFAOYSA-N 322.355 4.881 30 20 DJED Cc1ccc(-c2nc(CNc3cccc(C#N)c3C)cs2)cc1 1658050094 RZDUAYFXKZVTBS-UHFFFAOYSA-N 319.433 4.911 30 20 DJED Cc1ccc(NC(=O)Nc2cccc(C#N)c2C)cc1OC(C)C 1667872210 KTBWVPCOXOXOTA-UHFFFAOYSA-N 323.396 4.606 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N[C@H](C)CCC1CCCCC1 1675080058 MECIZBALKGOZHW-OAHLLOKOSA-N 313.445 4.737 30 20 DJED Cc1c(C(=O)Nc2ccc(Cl)c(C#N)c2)oc2ccccc12 53887747 YFBZARVJSIIHGO-UHFFFAOYSA-N 310.740 4.519 30 20 DJED N#Cc1cc(Cl)ccc1NCc1ccccc1C(F)(F)F 61627121 BPRKSYRJQPTJPJ-UHFFFAOYSA-N 310.706 4.843 30 20 DJED Cc1ccc(C)c(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 108240318 IQYDEEJOAXTWCT-CQSZACIVSA-N 324.449 4.808 30 20 DJED CC(C)[C@H]1CCCCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 119841197 TZDCAWADUNZKCC-QGZVFWFLSA-N 313.445 4.530 30 20 DJED Cn1c([C@@H](C#N)C(=O)CCCC2CCCCC2)nc2ccccc21 122642962 WFCZJZDEQPLEDX-INIZCTEOSA-N 323.440 4.500 30 20 DJED CC(C)(CCC#N)CNCCOc1ccccc1-c1ccccc1 174309914 LHULOZUVOPEIRH-UHFFFAOYSA-N 322.452 4.652 30 20 DJED C=CCC[C@@H](NCc1nc2ccccc2nc1C)c1ccccc1 180043276 RQAUJIGLLXCFBW-GOSISDBHSA-N 317.436 4.735 30 20 DJED COc1cccc(C=C2CCN(CCCC(C)(C)C#N)CC2)c1 268496024 RFFZKALHDSJRLP-UHFFFAOYSA-N 312.457 4.504 30 20 DJED Cc1nc(C)c(CSCc2ccc(Cl)cc2C#N)s1 358659707 KEBLZPATBKXPPP-UHFFFAOYSA-N 308.859 4.718 30 20 DJED CCc1cc(C(=O)Nc2ccc(Cl)cc2CC#N)sc1C 410968427 NUBSBIHVKAXPJD-UHFFFAOYSA-N 318.829 4.591 30 20 DJED C=CCCC1(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC1 437275871 RJVKGEVDZZNJRN-RBUKOAKNSA-N 305.421 4.558 30 20 DJED C[C@@H](NCCCCC(C)(C)C#N)c1cc2cccc(F)c2o1 444692513 MMLOIDNXQGGBOY-CYBMUJFWSA-N 302.393 4.943 30 20 DJED CC1(C#N)CCC(N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 449295217 QQSNUAIPBGSDRY-IZIZEDOESA-N 300.421 4.524 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 467849229 FWOCZAPXSOPXPY-ZDUSSCGKSA-N 305.727 4.900 30 20 DJED CC(C)(C#N)c1ccc(C(=O)Nc2cccc3ccccc23)cc1 474409102 CFZBIOVKNNQJQB-UHFFFAOYSA-N 314.388 4.893 30 20 DJED N#CC[C@@H](CC(=O)Nc1cccc2ccsc12)c1ccccc1 476487521 FDOANBZRXOVMTB-INIZCTEOSA-N 320.417 4.927 30 20 DJED Cc1c(C#N)cccc1NC(=O)N(C1CC1)[C@@H](C)c1ccccc1 478073149 WGFTXLKDXRVICB-HNNXBMFYSA-N 319.408 4.624 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 480588619 KCEIVAMEUSOOBS-APWZRJJASA-N 322.383 4.648 30 20 DJED C=C[C@H]1CCCCN1C(=O)c1ccc(Cl)c(C(F)(F)F)c1 488874838 FLZDFZBQFDJVEB-NSHDSACASA-N 317.738 4.540 30 20 DJED CC(C)CC[C@H](NCCCC1(C#N)CCOCC1)C(C)(C)C 499608956 HELWHMNAUCQBLO-KRWDZBQOSA-N 308.510 4.527 30 20 DJED C=CCCCCCN(C)C(=O)N[C@@H](CC)c1ccc(OC)cc1 516517006 KQIFUPHDEXGWJG-SFHVURJKSA-N 318.461 4.534 30 20 DJED C=C[C@H](CC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21)c1ccccc1 533911300 ADEDPOJGGNJVON-HNJRGHQBSA-N 311.469 4.774 30 20 DJED N#Cc1ccc(NC(=O)c2cccc(-c3ccoc3)c2)c(Cl)c1 535517778 XDYKXGLNAPOXHV-UHFFFAOYSA-N 322.751 4.724 30 20 DJED C=CCCCN[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C 543499880 KFFRPLBYQWTFBM-CYBMUJFWSA-N 316.470 4.744 30 20 DJED CC[C@H](CC#N)N[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 545872195 XBHHRJHUHAYABV-PMPSAXMXSA-N 310.363 4.623 30 20 DJED CC(C)(C#N)CCCCN1C[C@H]2CCCCN2c2ccccc21 550422002 BBVDSPHMLWJIHK-QGZVFWFLSA-N 311.473 4.586 30 20 DJED N#CCCCCCC(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 588755582 PVXFIFKNIYOEJA-UHPIZROJSA-N 324.468 4.945 30 20 DJED Cc1sc(NC(=O)CCc2cc3ccccc3o2)c(C#N)c1C 610935019 BKTOWAPIVBUTOU-UHFFFAOYSA-N 324.405 4.554 30 20 DJED CCCOc1ccc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1 618806199 PXTNRWDWBNTNNF-YCRPNKLZSA-N 320.436 4.685 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1C 642409264 WLCAVNNHPPYGRY-UHFFFAOYSA-N 314.816 4.869 30 20 DJED C[C@@H](OC(=O)/C=C\c1ccc(Cl)s1)c1cccc(C#N)c1 727640118 BWAPUZOJRBXFOV-BPOWMSRESA-N 317.797 4.591 30 20 DJED C=C(C)CNc1cc(C(=O)N(C)c2ccccc2)ccc1Cl 738299504 KASUPJWNCJUHRA-UHFFFAOYSA-N 314.816 4.605 30 20 DJED COc1ccc(C(=O)/C=C/c2cc3cc(F)ccc3o2)c(F)c1 741852532 NPXWLNPOJHCQHT-GQCTYLIASA-N 314.287 4.616 30 20 DJED O=C(/C=C\c1nc(Cl)cs1)c1cccc(C(F)(F)F)c1 759074257 TULFVKRTUYUHSF-PLNGDYQASA-N 317.719 4.711 30 20 DJED Cc1cc2cc(/C=C/C(=O)c3ccc(C#N)s3)oc2cc1C 762438420 NVPBLMRLIYBPDQ-HWKANZROSA-N 307.374 4.879 30 20 DJED CC(CCc1ccsc1)=NNc1ncccc1C(F)(F)F 764905723 ZTRKACSLYHGOLE-UHFFFAOYSA-N 313.348 4.583 30 20 DJED C#CC[C@H](NC(=O)Nc1c(C)cccc1SC)c1ccccc1 771289871 NYZHJRGRQBFLCG-INIZCTEOSA-N 324.449 4.603 30 20 DJED C[C@@H]1CC[C@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 776301722 XNFLHKVIOIQDJW-MOXGXCLJSA-N 318.420 4.717 30 20 DJED CC(C)(C#N)CCN1CCC[C@@H]1c1ccccc1C(F)(F)F 776581246 FRSOOQXFZWKKLX-OAHLLOKOSA-N 310.363 4.782 30 20 DJED CCCCCC[C@@H](C)CC(=O)Nc1ccccc1O[C@@H](C)C#N 780151167 ZNWRVTQEAMFBOV-CVEARBPZSA-N 316.445 4.913 30 20 DJED C=C[C@H](CC(=O)O[C@@H](C)c1ccc(Cl)cn1)c1ccccc1 781612514 LNMIGWFBSGURCJ-UONOGXRCSA-N 315.800 4.699 30 20 DJED CC(=NNc1cccc2ccccc12)c1cnn(C(C)(C)C)c1C 787154735 ZFYHKHCDKCVBLN-UHFFFAOYSA-N 320.440 4.936 30 20 DJED O=C(/C=C\c1cnc(-c2ccco2)s1)c1cc(F)cc(F)c1 789144197 SZSIEFZKZINSOK-ARJAWSKDSA-N 317.316 4.577 30 20 DJED N#C[C@H]1CC[C@H](NCCCCCCOc2ccc(Cl)cc2)C1 799723458 JNHSODUGODXTHZ-RDJZCZTQSA-N 320.864 4.561 30 20 DJED COCc1ccccc1/C=C(/C)C=NN[C@H](C)c1ccccc1 814220333 WCOYCFHBODEDMD-JXSLGESDSA-N 308.425 4.573 30 20 DJED N#CC1(CC(=O)Oc2cccc(-c3ccncc3)c2)CCCCC1 851054064 JGMKCCKHMGEECA-UHFFFAOYSA-N 320.392 4.518 30 20 DJED CC(=NNc1ncnc2sc(C)c(C)c12)c1ccc(C)cc1C 916307758 OVLMKPHEORBIHL-UHFFFAOYSA-N 324.453 4.761 30 20 DJED O=C(/C=C1\COc2ccc(F)cc21)c1cccc(C(F)(F)F)c1 918154093 CPJKZDWPIIJIII-YRNVUSSQSA-N 322.257 4.503 30 20 DJED CC(C)c1ccc([C@@H](NCC2(C#N)CCC2)c2cccnc2)cc1 926626970 MKAXZPHAVULVPV-HXUWFJFHSA-N 319.452 4.578 30 20 DJED N#CC1(CSCc2cnc(-c3ccccc3)s2)CCC1 1117978400 JNZIVRSVVWFORH-UHFFFAOYSA-N 300.452 4.737 30 20 DJED CC[C@H](C)CC(=O)Nc1sc2c(c1C#N)CCCCCC2 1125197629 QCBYTQOMEVVKOH-LBPRGKRZSA-N 304.459 4.653 30 20 DJED N#Cc1ccc(COc2c(F)cc(Cl)cc2Cl)s1 1307359922 ZANQJDIZOFDCSL-UHFFFAOYSA-N 302.157 4.645 30 20 DJED CCCC[C@@H](C)N(CCCC)C(=O)Nc1ccc(F)c(C#N)c1 1310250210 PIRDOMFXBKKCRD-CQSZACIVSA-N 319.424 4.910 30 20 DJED CC[C@H](NCc1ccccc1C(C)(C)C#N)c1ccc(F)cc1 1337651430 YEMHCBQRPDBYGQ-IBGZPJMESA-N 310.416 4.868 30 20 DJED CCc1c(C)sc(NC(=O)c2cc(F)ccc2Cl)c1C#N 1358026074 ILIFJKJGZLPQQM-UHFFFAOYSA-N 322.792 4.535 30 20 DJED CC(C)CCC(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@H]2C 1436482532 KNKOBKJKRSVPAK-NWDGAFQWSA-N 304.459 4.680 30 20 DJED CCC(C)(C)C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@H](C)CC2 1436545292 CGUODVLAOXLWQX-GHMZBOCLSA-N 304.459 4.680 30 20 DJED N#Cc1cc(CN2CCCCC[C@H]2c2ccccc2)ccc1F 1459392652 OOIQQJKFHYVMQU-FQEVSTJZSA-N 308.400 4.815 30 20 DJED CC(C)(C)[C@H]1CN(Cc2ccc(F)cc2C#N)c2ccccc21 1460029640 MVOHUAHRTVJBCD-SFHVURJKSA-N 308.400 4.847 30 20 DJED N#Cc1cccc(OCc2ccccc2OCc2ccccc2)c1 1472965995 RXIFAFZTAWCMAG-UHFFFAOYSA-N 315.372 4.716 30 20 DJED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)Nc1cccc(C#N)c1C 1534738345 NPQIVHXIOKQFAO-RHSMWYFYSA-N 318.420 4.795 30 20 DJED CCCC[C@H](C(=O)N(c1ccccc1C#N)C1CCC1)C(C)C 1586218268 ZMXFQAXZOAKTLA-SFHVURJKSA-N 312.457 4.906 30 20 DJED Cc1cc(CN(C)[C@H]2CCC[C@H]2c2ccccc2)ccc1C#N 1621386298 XRLFTBZHNDSOAY-SFTDATJTSA-N 304.437 4.635 30 20 DJED COc1ccc(C#N)cc1NC1CCC(c2ccccc2)CC1 1652158994 REVNKSFMMBCQIB-UHFFFAOYSA-N 306.409 4.705 30 20 DJED N#Cc1ccc(CCN2Cc3ccccc3-c3ccccc32)cc1 1654062210 HMIYLWCTJNBAFI-UHFFFAOYSA-N 310.400 4.788 30 20 DJED C[C@H](Cc1ccc2ccccc2n1)Sc1cccc(C#N)c1 1656325967 BCKPTVVSGUAJQD-CQSZACIVSA-N 304.418 4.830 30 20 DJED Cc1cc(C#N)cc(NCc2cnc(-c3ccccc3F)s2)c1 1656435231 CJMKLOOJTDZZLC-UHFFFAOYSA-N 323.396 4.741 30 20 DJED Cc1cc(C)c(/C=C\CN[C@@H](C)c2cccc(C#N)c2)cc1C 1658597142 WVSCEZHXALCBRH-KKMIYCERSA-N 304.437 4.848 30 20 DJED C[C@H](N[C@H](C)CC(C)(C)c1ccccc1)c1cccc(C#N)c1 1660694939 FMLFMAZVWBSOID-SJORKVTESA-N 306.453 4.965 30 20 DJED C=C(CNC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 1666905556 CDUFTHYXNRZRMF-UHFFFAOYSA-N 321.207 4.828 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1ccc(C2CC2)cc1 1776784329 WJGUUQYCJSRCSS-IBGZPJMESA-N 317.473 4.857 30 20 DJED C[C@@H](CCC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccccc1 125194539 QGYLTHWQJSAXOS-PXNSSMCTSA-N 320.436 4.732 30 20 DJED CC(C)n1c(-c2ccc(O[C@@H](C)C#N)cc2)nc2ccc(F)cc21 154934828 DAXBJFLERQNNGI-ZDUSSCGKSA-N 323.371 4.714 30 20 DJED C[C@@H](CSC(C)(C)C)Nc1cccc(OCCCC#N)c1 179819435 UZHVQBDPYITTQW-AWEZNQCLSA-N 306.475 4.701 30 20 DJED CC[C@@H](C)[C@@H](C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 180326533 GCNBOAHTZGVMOX-BFHYXJOUSA-N 304.459 4.559 30 20 DJED CCCCCC[C@@H](C)C(=O)Nc1ccccc1O[C@@H](C)C#N 182054335 ZQXAMKUMLGUTES-CABCVRRESA-N 302.418 4.522 30 20 DJED Cc1c([C@H](C)NCc2ccc(F)c(C#N)c2)oc2ccccc12 183617826 BATRAHVEPFNGLY-ZDUSSCGKSA-N 308.356 4.603 30 20 DJED N#CCCCOc1cccc(N[C@@H]2CCCc3ccccc32)c1 193907504 WCXYGRJGMLYMII-HXUWFJFHSA-N 306.409 4.859 30 20 DJED CCCOc1c(/C=C\C(=O)c2cccs2)cccc1OCC 206088826 XXXFXXGZRYSJAD-KHPPLWFESA-N 316.422 4.832 30 20 DJED C[C@H]1C[C@H](Nc2ccc(CC#N)cc2)c2ccsc2S1 216992731 YNDUDQCONCCPQU-NHYWBVRUSA-N 300.452 4.852 30 20 DJED Cc1cccc(NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 254556196 GRXQUVFNMMHIGD-UHFFFAOYSA-N 321.336 4.609 30 20 DJED N#Cc1csc(/C=C\C(=O)c2ccc(SC(F)F)cc2)c1 255505711 KWFVWNWWLPYBSJ-WAYWQWQTSA-N 321.373 4.831 30 20 DJED N#CCCCOc1cccc(Nc2ccc(C(F)(F)F)cn2)c1 302679483 OIJLOFIXFHAYPX-UHFFFAOYSA-N 321.302 4.527 30 20 DJED N#Cc1ccc(N[C@@H]2CSc3ccccc32)c(C(F)(F)F)c1 316443426 ABUIGDGTKDKMQR-CQSZACIVSA-N 320.339 4.836 30 20 DJED CCc1noc(C)c1C/N=C(/O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 329380752 NRENDIJNSDERKT-RRFJBIMHSA-N 304.434 4.608 30 20 DJED N#CC1(/C(O)=N/CC2(Cc3ccccc3)CCCCC2)CCC1 329896091 CGTQSJCHUYGIOO-UHFFFAOYSA-N 310.441 4.830 30 20 DJED C=C(C)C(C)(C)C(=O)Nc1cc(-c2cncc(F)c2)ccc1C 425591014 XWWWUZWPIYLXJX-UHFFFAOYSA-N 312.388 4.737 30 20 DJED C=CCC(C)(C)C(=O)N1CCC(c2c(C)[nH]c3ccccc23)CC1 431360485 ZEHXRPKTBCBXEK-UHFFFAOYSA-N 324.468 4.785 30 20 DJED C=CCCSCc1ncc(-c2ccc(Br)cc2)o1 437285705 HVXLEGRZYSFRLG-UHFFFAOYSA-N 324.243 4.913 30 20 DJED Cc1cc(CNc2cccc(CCC(F)(F)F)c2)ccc1C#N 444000015 ZLUPWDXUGGZYPP-UHFFFAOYSA-N 318.342 4.974 30 20 DJED CC(C)Oc1ccc2ccccc2c1CN[C@@H]1CCC[C@H](C#N)C1 446758096 FUFOFIOLXTZRBC-FUHWJXTLSA-N 322.452 4.799 30 20 DJED C=CCCN[C@H](c1cccc(SC)c1)c1cc(F)ccc1F 462177243 QCRXYUSNYRKCIT-GOSISDBHSA-N 319.420 4.942 30 20 DJED C[C@@H](C(=O)Nc1ccccc1NC(C)(C)C)c1cccc(C#N)c1 464498034 KCGNZKAAHBSYPR-CQSZACIVSA-N 321.424 4.511 30 20 DJED Cc1cccc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)c1C 464583279 BZNVIWCMIOOTOT-HXUWFJFHSA-N 318.420 4.543 30 20 DJED CC[C@H](NCCc1cccc(C#N)c1)c1ccc(Cl)s1 467436306 OGEHSZCPKWECEG-AWEZNQCLSA-N 304.846 4.557 30 20 DJED C=CCCOCCCCC(=O)N1CCCC(CC)(CC)CC1 469931067 WONJBUWUKSBDHR-UHFFFAOYSA-N 309.494 4.568 30 20 DJED C=CCCCCNC(=O)Nc1ccc(COC2CCCC2)cc1 473717572 XZKKHOWBDHWFQQ-UHFFFAOYSA-N 316.445 4.624 30 20 DJED Cc1nc(Oc2ccc(Cl)c(C(F)(F)F)c2)ccc1C#N 487903519 DOHLIKSNBXYFSA-UHFFFAOYSA-N 312.678 4.726 30 20 DJED N#Cc1cc(F)ccc1CSCc1nc2ccccc2s1 488458207 LOSISHZWTRWSGO-UHFFFAOYSA-N 314.410 4.740 30 20 DJED CC[C@H](C)CCC(=O)Nc1ccccc1SC[C@H](C)C#N 511879298 OMFOBTUXPJGKIM-UONOGXRCSA-N 304.459 4.703 30 20 DJED Cc1cc(C)cc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c1 519485176 IMKRUMQYQWCDIX-IBGZPJMESA-N 320.436 4.596 30 20 DJED Cc1ccccc1[C@@H](NCc1ccc(C#N)cc1F)C(C)(C)C 532567657 MCNQXSRXZFHJTA-LJQANCHMSA-N 310.416 4.883 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1Cl 556255582 WFLJVZYRPYUPSP-NEPJUHHUSA-N 302.780 4.763 30 20 DJED CC(C)(C#N)CCCCN1CCCn2c(cc3ccccc32)C1 571189218 QBKMVGHPECGVCX-UHFFFAOYSA-N 309.457 4.567 30 20 DJED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cccc(C3CC3)c2)s1 576362075 ZGXWCVNIOUQTLX-HNNXBMFYSA-N 324.449 4.808 30 20 DJED Clc1ccc(C=NOCc2ncc(Cl)cc2Cl)cc1 588388797 WCHYDAHKKKPTRC-UHFFFAOYSA-N 315.587 4.593 30 20 DJED CCc1cc(C)cc(CC)c1NC(=O)CC1(C#N)CCCCC1 598832117 TWVMEUAPGLSCFT-UHFFFAOYSA-N 312.457 4.923 30 20 DJED C=CCCCCCN(C)C(=O)[C@H]1CCCC[C@H]1C(F)(F)F 606816584 BYZIWDFJZXBOJO-UONOGXRCSA-N 305.384 4.560 30 20 DJED C=C(C)CN(CC)C(=O)C[C@H](C)c1ccccc1C(F)(F)F 607455605 YVIUKJLCJPIFSR-ZDUSSCGKSA-N 313.363 4.624 30 20 DJED C=C(C)CN(CC)C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 607779815 WHMUJLDCMFWBBL-LSDHHAIUSA-N 312.240 4.522 30 20 DJED CC[C@@H](Cc1cccs1)Nc1cccc(OCCCC#N)c1 611468532 PFFBMFJITWHNKT-HNNXBMFYSA-N 314.454 4.864 30 20 DJED N#CCC1(CN[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)CC1 619535097 FTKBCGQRUFDAMW-GDBMZVCRSA-N 322.374 4.625 30 20 DJED C=CCC[C@@H](NC[C@@H](Cc1ccccc1)C(F)(F)F)C1CC1 685660138 RDASNFLYRZGHOP-IAGOWNOFSA-N 311.391 4.742 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C/c1cccc(C(F)(F)F)c1)C2 730948266 ASOINJDNUWSZDH-RIYZIHGNSA-N 302.295 4.836 30 20 DJED C=CC[C@H](NCc1ccc(CSC(F)F)o1)c1ccncc1 734509187 IHRJZUKNWGAXMT-HNNXBMFYSA-N 324.396 4.537 30 20 DJED COc1cc(/C=C2/CCCC(C)(C)C2=O)cc(Cl)c1OC 757534544 MAVJSOPCTGGVAI-WQLSENKSSA-N 308.805 4.520 30 20 DJED CCCCCCCCOC(=O)c1cnc([C@H]2CCCO2)s1 760666232 UXWCVLDSHIBYDB-CYBMUJFWSA-N 311.447 4.512 30 20 DJED C#CCOc1ccccc1CN[C@@H](CC)c1ccc(Cl)s1 772987585 LHWPIAHHPNXYFT-AWEZNQCLSA-N 319.857 4.654 30 20 DJED CC(C)c1nc(C(=O)/C=C/c2cnc(C(C)(C)C)s2)cs1 787479281 AKHHRQZEBQFDAO-VOTSOKGWSA-N 320.483 4.917 30 20 DJED C#CCC1(C(=O)O[C@H](C)c2nc(C3CC3)cs2)CCCCC1 788463309 RGSVHNCWJKDPSK-CYBMUJFWSA-N 317.454 4.599 30 20 DJED C=CCC1(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)CCC1 790607410 PWWDMJNBNFYINN-UHFFFAOYSA-N 318.848 4.625 30 20 DJED CC(C)(C)SCCCOC(=O)C[C@@H](CC#N)c1ccccc1 796807779 OTXXZMWVUWPGSC-MRXNPFEDSA-N 319.470 4.539 30 20 DJED Cc1cc(-c2ccccc2)ccc1NC(=O)NCC(C)(C)CC#N 838753257 FOIKWDFUTBTGOP-UHFFFAOYSA-N 321.424 4.723 30 20 DJED CCc1ccc([C@H](C)C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)cc1 842940450 ADYQKYRCBILDRW-BLLLJJGKSA-N 324.449 4.563 30 20 DJED CC(C)(C)c1noc(-c2cccc(Nc3ccc(C#N)cc3)c2)n1 904352543 RGPYYXXEAKXHPC-UHFFFAOYSA-N 318.380 4.649 30 20 DJED C=CCN(Cc1ccccc1)C(=S)Nc1c(C)cccc1C 914601816 VQGRHABEVNRLLQ-UHFFFAOYSA-N 310.466 4.688 30 20 DJED FC(F)(F)c1cnc(NN=CC2CCCCC2)c(Cl)c1 916286702 PQBJYKSGCKWCIT-UHFFFAOYSA-N 305.731 4.732 30 20 DJED C[C@@H]1C[C@@H](CCNC(=O)Nc2cccc(C#N)c2)CC(C)(C)C1 1197550619 XQZXFRXXGOPEFW-HUUCEWRRSA-N 313.445 4.532 30 20 DJED N#Cc1ccc(N(C(=O)c2cc3occc3s2)C2CCC2)cc1 1280387628 QMVOCBHSGKXIIA-UHFFFAOYSA-N 322.389 4.565 30 20 DJED C[C@H](CSc1ccccc1)c1nnc(-c2cccc(C#N)c2)o1 1331890215 MKPWNVFYLPJEPL-CYBMUJFWSA-N 321.405 4.504 30 20 DJED CCCCc1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)cc1 1457754622 JDNLMTYSSLZGJD-HNNXBMFYSA-N 307.393 4.819 30 20 DJED CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)Nc1cccc(C#N)c1 1465139657 FBYJBXNCUUGWDB-RDJZCZTQSA-N 313.445 4.532 30 20 DJED CCCC1(CNC(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 1476646303 HQKDXRJZPRMZIH-UHFFFAOYSA-N 319.474 4.619 30 20 DJED CCC1(CC)CCC(NC(=O)Nc2cc(F)cc(C#N)c2)CC1 1476982641 IQKAYHBWWDJUDU-UHFFFAOYSA-N 317.408 4.568 30 20 DJED CC(C)c1ccc(C(=O)Nc2ccc(F)c(C#N)c2)cc1Cl 1520422260 ILSKWVOUMANBGY-UHFFFAOYSA-N 316.763 4.726 30 20 DJED CCC[C@H](CC)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 1524293897 SAFGQVWPDZUSCQ-AWEZNQCLSA-N 323.396 4.510 30 20 DJED C[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)CC[C@H]1c1ccccc1 1532789914 MMRWXWYCPOAWSN-IEBWSBKVSA-N 324.468 4.503 30 20 DJED C[C@@H](OC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cccc(C#N)c1 1534857044 IRWSEYCKOJSOBY-YCEFEEMOSA-N 311.425 4.769 30 20 DJED Cc1ccc(N(Cc2cccc(C#N)c2F)CC(C)C)c(C)c1 1559970075 AOBLVQQGOMVPAJ-UHFFFAOYSA-N 310.416 4.977 30 20 DJED Cc1cc(C)cc(-n2ccnc2SCc2ccccc2C#N)c1 1613346776 OILPCXQSMXOOSK-UHFFFAOYSA-N 319.433 4.653 30 20 DJED N#Cc1cc(OCc2cccc(Cl)c2)ccc1Br 1615027237 JVAHZCJNNKIUDW-UHFFFAOYSA-N 322.589 4.553 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(Cl)cc1F 1615327179 UMUTWZMHCSRFQY-UHFFFAOYSA-N 316.807 4.761 30 20 DJED Cc1ccccc1[C@H](CC(C)C)NC(=O)c1cccc(F)c1C#N 1633509223 WQKGUJUVPGVZNN-IBGZPJMESA-N 324.399 4.523 30 20 DJED CC[C@@H](C)Oc1ccc(Nc2nc(C)c(C#N)cc2Cl)cc1 1639336057 RFAAQWSCJVDZJT-LLVKDONJSA-N 315.804 4.836 30 20 DJED C=C(CNCc1cnc(-c2ccsc2)s1)c1ccccc1 1661311028 QSQUVJAKMWULNH-UHFFFAOYSA-N 312.463 4.675 30 20 DJED C=CCC[C@@H](CCC)N[C@H](C)c1nc(-c2ccncc2)cs1 90045945 JABUNKUWPWELBE-GDBMZVCRSA-N 315.486 4.991 30 20 DJED C=CCCCCCN(C)[C@@H](C)c1nnc(-c2cccs2)o1 150883141 BGJAWBMAWXKKQE-ZDUSSCGKSA-N 305.447 4.537 30 20 DJED C[C@H](c1ccccc1Br)N(C)CCCC(C)(C)C#N 174835373 CEWBCSYCUVUYRF-CYBMUJFWSA-N 323.278 4.772 30 20 DJED CC(C)(C#N)CCCN[C@H](c1ccccc1)c1ccc(F)cc1 174855575 NGDPYYPAGPOOPH-LJQANCHMSA-N 310.416 4.835 30 20 DJED CCSc1ccc([C@H](C)NCc2cc(C#N)cs2)cc1 177696111 VPKDIIXJMNAWFM-LBPRGKRZSA-N 302.468 4.583 30 20 DJED C=C(C)[C@H](N[C@@H](C)c1ccc(F)cc1O)c1ccc(F)c(F)c1 186454594 LLPWJQBAOJXFJP-VOJFVSQTSA-N 321.342 4.778 30 20 DJED Cc1ccc(-c2cccc(CNCc3cccc(C#N)c3)c2)cc1 237728361 DBVKBMAOTCGDJR-UHFFFAOYSA-N 312.416 4.824 30 20 DJED CCOc1ccccc1[C@@H](C)Nc1cccc(OCCCC#N)c1 324491792 OSMDYEALEPVMRO-MRXNPFEDSA-N 324.424 4.941 30 20 DJED OC(=Nc1csc(-c2ccncc2)n1)[C@H]1CCCC(F)(F)C1 328802628 LDFGWPOOTLKNOM-NSHDSACASA-N 323.368 4.619 30 20 DJED Cc1nc(C2CC2)oc1/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@H]2C1 329780260 MMKQKGFZCAVBIY-AEGPPILISA-N 302.418 4.524 30 20 DJED C=CCC[C@@H](NCc1ccncc1)c1ccc(C(F)(F)F)cc1 342221141 KNICRZRTNXNXIF-QGZVFWFLSA-N 320.358 4.898 30 20 DJED N#CCC[C@H](NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)c1ccccc1 354194826 JADNJVFVCCWZAO-FFGOWVMKSA-N 324.468 4.754 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc2oc(CC)nc2c1)c1ccccc1 426632529 XIKFXEJQHRSMOB-MRXNPFEDSA-N 320.392 4.689 30 20 DJED C=CCC(C)(C)CNC(=O)Nc1ccccc1CC(F)(F)F 432955920 WGMOBAPTSLYZIE-UHFFFAOYSA-N 314.351 4.515 30 20 DJED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](c1ccc(Cl)cc1)C(C)C 436318055 XABMKEMDQVIEBF-JQHSSLGASA-N 307.865 4.608 30 20 DJED N#C[C@@H]1CC[C@@H](Nc2cccc(OCc3cccc(F)c3)c2)C1 442871095 HANHPTYPJJKNCX-RDTXWAMCSA-N 310.372 4.509 30 20 DJED C[C@H](CCc1ccsc1)Nc1cccc(OCCCC#N)c1 462792236 DTLPMBZNZHFOGW-OAHLLOKOSA-N 314.454 4.864 30 20 DJED N#C[C@H]1CCC[C@H](Nc2cccc(OCc3ccc(F)cc3)c2)C1 463277124 BIOAYEBFQPUSRC-WMZOPIPTSA-N 324.399 4.899 30 20 DJED CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C(=O)CCCC#N 464521737 KFPHATBFCWIMSG-GOSISDBHSA-N 320.864 4.970 30 20 DJED C=CCC1(C(=O)N2CC[C@](C)(CCc3ccccc3)C2)CCC1 479155160 VLFWUAJVWLRXEC-FQEVSTJZSA-N 311.469 4.604 30 20 DJED CCCN(Cc1ccc(F)cc1C#N)[C@@H]1CCc2ccccc21 489576701 IQUQMOXGJBIAGX-HXUWFJFHSA-N 308.400 4.597 30 20 DJED CC(C)(C)Oc1cc(F)ccc1NCc1cc(C#N)cs1 498359850 UJRHCEBWKOXSOI-UHFFFAOYSA-N 304.390 4.548 30 20 DJED CC(C)[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1 503853762 FGKULZSMNFWZHV-DJJJIMSYSA-N 314.379 4.884 30 20 DJED CC(C)(C)c1nc2cc(NCc3ccc(C#N)cc3F)ccc2o1 533311401 VOSPKGGYMDZKOC-UHFFFAOYSA-N 323.371 4.748 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1occc1C(C)C 551161592 DOZNFVLGSRDGJY-UHFFFAOYSA-N 324.424 4.573 30 20 DJED N#CCc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)cc1 554835049 MVVHNDCVKSKAOW-KOUNCHBCSA-N 316.448 4.663 30 20 DJED Cc1c([C@H](C)NC2(c3cccc(C#N)c3)CC2)oc2ccccc12 560261094 HXPAUMUJXMKFKJ-HNNXBMFYSA-N 316.404 4.953 30 20 DJED CC[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cc(C)ccc1OC 560266713 PRENGBQATYNASC-LJQANCHMSA-N 320.436 4.605 30 20 DJED CC[C@H](CC#N)NCc1ccc(Oc2ccccc2F)c(F)c1 569400510 KSMRKBJMUDHOKM-CQSZACIVSA-N 316.351 4.539 30 20 DJED CC(C)Oc1ccccc1[C@@H](C)N[C@@H]1CCc2ccc(C#N)cc21 583351946 YTONNMRNZRBSFS-FOIQADDNSA-N 320.436 4.684 30 20 DJED CC(C)[C@H](CNC(=O)CCCCCC#N)c1ccc(Cl)cc1 588167136 VYAHXLTYQAXMRD-KRWDZBQOSA-N 320.864 4.670 30 20 DJED N#CCCCCCC(=O)N(Cc1ccsc1)c1ccccc1 588906881 BAVTYAIPGJNPBS-UHFFFAOYSA-N 312.438 4.755 30 20 DJED C=CCN(Cc1cccs1)C(=O)N[C@H]1CCC[C@@H]1CCCC 590175414 VSMFCCHRYJAYIE-RDJZCZTQSA-N 320.502 4.805 30 20 DJED C=CCCCCCN(C)C(=O)c1ccc2c3c(cccc13)CC2 606881145 INSUGGWEYCSXKF-UHFFFAOYSA-N 307.437 4.757 30 20 DJED CC(C)Oc1ccccc1[C@@H](C)Nc1ncc(C#N)cc1Cl 608885984 JHJUMNNHNHLADS-GFCCVEGCSA-N 315.804 4.567 30 20 DJED N#CCCCCOC(=O)C1(c2ccc(Cl)cc2)CCCCC1 725953160 AEXVGAFQRXXRNH-UHFFFAOYSA-N 319.832 4.779 30 20 DJED Cc1ccc2c(c1C)C(=O)/C(=C\c1ccc3ncccc3c1)CO2 737443914 MUJZNQSHWBLXEE-BOPFTXTBSA-N 315.372 4.510 30 20 DJED CCCCN(C)c1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1 743475946 YZNXJNHZEDNUFO-MRXNPFEDSA-N 307.441 4.968 30 20 DJED Cc1cccc2sc(C(=O)OCC3(CC#N)CC3)c(Cl)c12 744278287 UBKHFDGTLNYQSN-UHFFFAOYSA-N 319.813 4.714 30 20 DJED CC[C@@H](C)Oc1cc(/C=C\C(=O)c2ccccc2)ccc1OC 749449986 BGHGCWOVWGHWHT-KUGGDMIFSA-N 310.393 4.769 30 20 DJED O=C(/C=C\c1cc2ccccc2o1)c1cccc(OC(F)F)c1 750902697 MJFOJYCITFJDBE-HJWRWDBZSA-N 314.287 4.930 30 20 DJED CC(/C=C\C(=O)c1c(C)nn(C(C)C)c1C)=C/c1ccccc1 750910390 SKRWUQPSODWUMS-CWENXQOLSA-N 308.425 4.923 30 20 DJED Cc1cccc2nc([C@H](C#N)C(=O)CC3CCC(C)(C)CC3)[nH]c12 752506378 XJYMSSOXACKEPM-OAHLLOKOSA-N 323.440 4.654 30 20 DJED C#CC[C@H](NCc1ccc(C(F)(F)F)cc1)c1ccccc1 756995216 DSTDIJXTVDBWEP-KRWDZBQOSA-N 303.327 4.560 30 20 DJED CCCCCCCCCCCC(=O)N1CC[C@]2(CCOC2)C1 757011972 ACZRBDZWONDPAI-IBGZPJMESA-N 309.494 4.546 30 20 DJED CC(C)(C#N)CCCCOC(=O)[C@H]1CCc2c(Cl)cccc21 768830286 FAIOJFRNIDMTDP-HNNXBMFYSA-N 319.832 4.633 30 20 DJED CC[C@@H](C)Oc1cc(/C=C\C(=O)c2occc2C)ccc1OC 769783995 LXEUGKHGMLGITP-IQCBXXCUSA-N 314.381 4.670 30 20 DJED C=CC[C@H](N[C@@H](CC)c1cc(C)ccc1OC)c1ccncc1 772457566 XQUNHCADAUIOOA-OALUTQOASA-N 310.441 4.757 30 20 DJED CCCCC[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 775318679 KNKYMMREUDHMJN-LEWJYISDSA-N 322.452 4.503 30 20 DJED C#CCCCCCC(=O)Nc1nc(-c2cc(C)oc2C)cs1 779859611 VSZZGCWGXYHWPQ-UHFFFAOYSA-N 316.426 4.542 30 20 DJED O=C(/C=C\c1scnc1C1CC1)c1ccccc1C(F)(F)F 782303174 WHTQXALGZPOFNV-FPLPWBNLSA-N 323.339 4.935 30 20 DJED COc1ccc([C@H](C)C(C)=NOC2CCCCC2)cc1OC 794535519 ISDRFAJNSVHSJD-CYBMUJFWSA-N 305.418 4.533 30 20 DJED C=CC[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccncc1 795796876 VCOQMCZFRHUONB-RTWAWAEBSA-N 317.436 4.628 30 20 DJED CC[C@@H](OC(=O)CCCCCC#N)c1ccc(Cl)cc1F 805905150 DKWUKTIQDXTSGC-OAHLLOKOSA-N 311.784 4.947 30 20 DJED CC(=NNc1cc(F)c(F)c(F)c1)c1c(F)cccc1Cl 807974538 KGQHJYDBBUKRFR-UHFFFAOYSA-N 316.685 4.733 30 20 DJED C/C(=C(\F)C(=O)Nc1ccccc1SC[C@H](C)C#N)C1CC1 900630253 JUJZVJLEWFNJAE-VFJWTBQQSA-N 318.417 4.530 30 20 DJED CC(=NNc1nc2ccccc2[nH]1)C12CC3CC(CC(C3)C1)C2 915915777 MFGRKLYCNNGRKT-UHFFFAOYSA-N 308.429 4.567 30 20 DJED O=C(/C=C/c1ccccc1OC(F)F)c1cccc(Cl)c1 916137594 SLTUZIJGWHTLPO-CMDGGOBGSA-N 308.711 4.838 30 20 DJED CCOc1ccc(C(=O)/C=C\c2cc3cccc(OC)c3o2)cc1 916153340 OENGZHFXEVFCJM-QXMHVHEDSA-N 322.360 4.736 30 20 DJED CC(=NNc1cccc(F)c1)c1ccc(N2CCCCC2)cc1 920383297 CQAVGBAWZHFACI-UHFFFAOYSA-N 311.404 4.652 30 20 DJED Cc1c(C(=O)Nc2ccc(Cl)cc2C#N)oc2ccccc12 1130934827 XJJMDYHPVBIEDE-UHFFFAOYSA-N 310.740 4.519 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[C@@H](c2ccccc2)C1 1182436245 ZYYGIVCGBPPZTJ-UZKOGDIHSA-N 316.448 4.862 30 20 DJED CSc1ccccc1COc1nc(C(C)(C)C)ccc1C#N 1189574317 KDXLZJMOMDUTHE-UHFFFAOYSA-N 312.438 4.552 30 20 DJED CC[C@@H]1C[C@H](C)CN1C(=O)Nc1scc(C(C)(C)C)c1C#N 1205528401 JRBWZZGRVSHLHY-NWDGAFQWSA-N 319.474 4.570 30 20 DJED CC[C@@H](C(=O)N(CCC#N)CC(C)(C)C)C1CCC(C)CC1 1264998535 QZZQEJBRERXKAL-OFLPRAFFSA-N 306.494 4.627 30 20 DJED Cc1ccc(C#N)c(Sc2ccc3c4c(cccc24)CC3)n1 1307192576 XXIFDNBPNWIMRU-UHFFFAOYSA-N 302.402 4.665 30 20 DJED Cc1ccc(-c2nc(CON=Cc3ccccc3C)co2)cc1 1317797625 DSMSXBXJKHZWBR-UHFFFAOYSA-N 306.365 4.509 30 20 DJED Cc1cccc(SCc2cc(C#N)ccc2Br)c1 1458932411 MFFJEPLVEBZZPK-UHFFFAOYSA-N 318.239 4.922 30 20 DJED CC(C)(C#N)CCN(Cc1cc(F)ccc1F)C1CCCC1 1459621622 HJIAMTRCDLFSRU-UHFFFAOYSA-N 306.400 4.649 30 20 DJED C[C@@H](CCNc1nc(C(C)(C)C)ccc1C#N)c1ccccc1 1472770375 LDMLSECIJFHVRF-HNNXBMFYSA-N 307.441 4.856 30 20 DJED CC[C@H](C)[C@@H](C(=O)O[C@H](C)c1cccc(C#N)c1)c1ccccc1 1516898193 CYFJPVZNROMABW-RZQQEMMASA-N 321.420 4.992 30 20 DJED N#CC1(CC(=O)O[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCCCC1 1523968508 XEOBJRGTSIYMBT-YESZJQIVSA-N 303.446 4.753 30 20 DJED CC(C)CCc1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1 1527200515 RAJKTBSYXVDVMK-UHFFFAOYSA-N 310.372 4.538 30 20 DJED CCOc1ccc(C#N)cc1NC(=O)C1(CC(C)C)CCCC1 1534966273 JIUNBGTYOVRLHF-UHFFFAOYSA-N 314.429 4.502 30 20 DJED Cc1ccc(C(=O)N2c3ccccc3[C@@H](C)CC2(C)C)cc1C#N 1535385508 POAFMYSONZWIMR-HNNXBMFYSA-N 318.420 4.799 30 20 DJED CC[C@@H](CC1CCCC1)C(=O)N(CCC#N)c1ccc(F)cc1 1542898915 LCDNBVIPTJXGDW-INIZCTEOSA-N 316.420 4.679 30 20 DJED Cc1ccc(C#N)c(N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)n1 1559212835 XBYDTAWBXSHRQK-YOEHRIQHSA-N 311.816 4.663 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)C[C@H](C)C3CC3)c2C#N)[C@@H](C)C1 1583688968 CASMPQSCWMEHFK-SRVKXCTJSA-N 316.470 4.680 30 20 DJED CCCC[C@H](CC)CCCN(C)C(=O)[C@@]1(C#N)CC12CCCC2 1586673266 NQVAJYJCDFMKHE-PXNSSMCTSA-N 318.505 4.915 30 20 DJED Cc1ccnc(NC[C@@H](C)c2c(Cl)cccc2Cl)c1C#N 1611908904 QPRVEBMBEZBDNI-LLVKDONJSA-N 320.223 4.784 30 20 DJED Cc1cc(C#N)ccc1CN1C[C@@H]2CCCC[C@]21c1ccccc1 1644801755 FYGWEVFIWRXGGO-VXKWHMMOSA-N 316.448 4.768 30 20 DJED CC(C)CN(Cc1cnc2ccccc2c1)c1ccc(C#N)cc1 1644855468 CQTSROWVAZVYCW-UHFFFAOYSA-N 315.420 4.769 30 20 DJED CC[C@@H](C)c1ccc(C(=O)/C=C\c2csc(C(=O)O)c2)cc1 1776697243 BKNGGHUSLSXISG-TWLAMCEISA-N 314.406 4.856 30 20 DJED O=C(O)c1ccc2scc(/C=C\C(=O)c3cccs3)c2c1 1777683991 NDBANSNCCVLUIA-HYXAFXHYSA-N 314.387 4.557 30 20 DJED N#Cc1cccc(NC(=O)c2ccccc2Nc2ccccc2)c1 11371534 JMMLQIWLCRJGKX-UHFFFAOYSA-N 313.360 4.554 30 20 DJED CC(=C/c1ccccc1)/C=C/C(=O)c1ccc(C)c([N+](=O)[O-])c1 60058957 ZFUWCRVGFJEHSG-FENWIEIGSA-N 307.349 4.746 30 20 DJED Cc1ccc(Oc2ccccc2)c(NC(=O)NCCCCC#N)c1 84880052 BFYBWJWXRXYTEL-UHFFFAOYSA-N 323.396 4.603 30 20 DJED Cc1ccc(NC(=O)CS[C@H](C)c2ccc(C#N)cc2)c(C)c1 118445262 XXXQRHCRJMGATB-OAHLLOKOSA-N 324.449 4.608 30 20 DJED CC(C)c1ccc([C@H](C)CC(=O)[C@@H](C#N)c2ccccn2)cc1 121646924 IRBBTMIKUZSECQ-QAPCUYQASA-N 306.409 4.575 30 20 DJED C=CCCCC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C 175337828 JNNCGUPRNNCEEU-UHFFFAOYSA-N 322.408 4.542 30 20 DJED CCN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)C(C)C 175382053 GWMNZHYJYHKZKR-UHFFFAOYSA-N 324.449 4.580 30 20 DJED CCSc1ccc([C@H](C)NCc2ccc(C#N)s2)cc1 176962532 IFMVLSROARVISF-LBPRGKRZSA-N 302.468 4.583 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCCOc1ccccc1 178391286 AIDSLGVYMODAGH-OAHLLOKOSA-N 312.438 4.572 30 20 DJED CCCCC[C@@H](C)CC(=O)Nc1ccccc1O[C@@H](C)C#N 182058810 ZYXNAXCYNYDHDY-CABCVRRESA-N 302.418 4.522 30 20 DJED C[C@@H](SCCOc1ccccc1C#N)c1nc2ccccc2o1 183268232 UEDWPHHQGBIYPH-CYBMUJFWSA-N 324.405 4.573 30 20 DJED CCC[C@H](C)N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N 264575148 WKWSAUDDWCGVNH-KGLIPLIRSA-N 319.474 4.591 30 20 DJED C[C@H](N[C@@H](C)c1ccccc1OC(F)F)c1cccc(C#N)c1 269002512 VFOGIPGSLUMNBJ-STQMWFEESA-N 316.351 4.571 30 20 DJED C[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)c1cc2ccccc2s1 294605331 MMQISZGUFHBNQX-DJJJIMSYSA-N 324.449 4.553 30 20 DJED CCC[C@@H](Nc1ccc(C#N)c(Br)c1)C1CCC1 322347303 CNKOEXUURKMRGB-OAHLLOKOSA-N 307.235 4.701 30 20 DJED CC(C)[C@H]1CC[C@H](C(O)=Nc2ccc(-c3cncnc3)cn2)CC1 328697635 DPJASEGHHBINSA-SHTZXODSSA-N 324.428 4.589 30 20 DJED C/C(O)=N/[C@H](C/C(O)=N/[C@@H]1CC12CCCCC2)c1cccs1 329099452 DFQWFOBVXZNQCS-UKRRQHHQSA-N 320.458 4.835 30 20 DJED O/C(=N/Cc1noc2c1CCCC2)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 329479033 UZOJWMOKSOUSGV-SOUVJXGZSA-N 316.445 4.616 30 20 DJED C=CCC[C@H](NCc1ccn(C)c1)c1ccc(C(F)(F)F)cc1 343187255 FWNOQMNXTFHVAL-KRWDZBQOSA-N 322.374 4.841 30 20 DJED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)CCCC#N 360152739 XINXSIKYXHXBSB-HNNXBMFYSA-N 312.438 4.532 30 20 DJED CC(=O)Nc1cccc(CSCCC2(C#N)CCCCC2)c1 419414447 MCOIQOCDHQZANL-UHFFFAOYSA-N 316.470 4.742 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)c1sccc1C1CC1 432716386 IOHPFCRSKIFXMV-UHFFFAOYSA-N 324.449 4.550 30 20 DJED C[C@H](N[C@@H]1c2ccccc2CCC[C@H]1C)c1ccc(C#N)cc1 462843343 TVYGEZSKVWURIH-XFQAVAEZSA-N 304.437 4.923 30 20 DJED C=C(C)[C@H](NCc1cc(F)ccc1OC)c1ccc(F)c(F)c1 462901318 CGNDTEAEDXIIOX-SFHVURJKSA-N 321.342 4.520 30 20 DJED N#CCc1ccc(NC(=O)C2CCC(c3ccccc3)CC2)cc1 463438946 XGXADNIDEVEQGA-UHFFFAOYSA-N 318.420 4.665 30 20 DJED C=C(C)COc1cccc(NC(=O)N(CC)CC(C)(C)C)c1 463761726 WIILVNIBNUEEBN-UHFFFAOYSA-N 304.434 4.541 30 20 DJED C=CCCN(C)C(=O)Nc1ccc(SC2CCCC2)cc1 466371845 LHMGQIAMHHCHOI-UHFFFAOYSA-N 304.459 4.761 30 20 DJED Cc1ccc(-n2cc(N[C@H](C)c3ccc(C#N)cc3)cn2)c(C)c1 466756331 BNMREWOABGCTNV-MRXNPFEDSA-N 316.408 4.534 30 20 DJED C=CCCCCCSCC(=O)Nc1c(C)cccc1CC 485595089 WAIYZCFOXKIPRD-UHFFFAOYSA-N 305.487 4.976 30 20 DJED C=CCC1(C(=O)Nc2cccc3oc(C(F)(F)F)nc23)CCC1 485741110 ZQDWWMWDGLGRHX-UHFFFAOYSA-N 324.302 4.532 30 20 DJED CC[C@H](c1ccccc1)N(CC(C)C)C(=O)c1cccc(C#N)c1 518392835 YOOXXHHPLNFKRM-HXUWFJFHSA-N 320.436 4.808 30 20 DJED C=C[C@@H](CC(=O)N[C@H](c1ccccc1)C1CC1)c1ccccc1 533886025 LEEMBIYRWDEJGY-HRAATJIYSA-N 305.421 4.614 30 20 DJED C[C@H]1CCCC[C@@H]1c1noc(CSc2ccc(C#N)cc2)n1 544758107 WPXYDNKUQWWUGP-WFASDCNBSA-N 313.426 4.527 30 20 DJED C[C@H](NC(=O)CCCCCC#N)c1cccc(Cl)c1Cl 588158799 NPSDZSMVZQAFOT-NSHDSACASA-N 313.228 4.645 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@@H](Cc2ccc(C)cc2)C1 675153303 KMYOHDYQWSAGOK-IBGZPJMESA-N 311.469 4.545 30 20 DJED C=CCC1(C(=O)Nc2ccc(COC(C)(C)C)cc2)CCC1 682916473 MKOFZNSQRNKFCN-UHFFFAOYSA-N 301.430 4.687 30 20 DJED Cc1ccccc1-c1cccc(/C=C/C(=O)c2cn(C)nc2C)c1 729644224 SUEUMZKDZCOURC-VAWYXSNFSA-N 316.404 4.600 30 20 DJED C[C@@H](NN=Cc1ccc(OC(F)F)c(Cl)c1)c1ccccc1 731486915 ZJNYRTJNHVTGIH-LLVKDONJSA-N 324.758 4.626 30 20 DJED C=CCN(C(=O)[C@H](C)c1c(Cl)cccc1Cl)C(C)C 733095097 WECZYJFBLIDCMS-LLVKDONJSA-N 300.229 4.520 30 20 DJED C=CCN(C(=S)N[C@@H](CC)c1cccs1)c1ccccc1 734368808 LBECSQASDIHCPJ-HNNXBMFYSA-N 316.495 4.766 30 20 DJED C[C@@H](CCC(C)(C)C)NC(=S)Nc1ccc(C#N)c(Cl)c1 735988009 XHXYETFSMMWDFV-NSHDSACASA-N 323.893 4.713 30 20 DJED Cc1cc(F)ccc1C(=O)/C=C/c1cnc(C(C)(C)C)s1 736433262 BFGOXSILDPJLKA-SOFGYWHQSA-N 303.402 4.784 30 20 DJED CC(CCc1ccccc1[N+](=O)[O-])=NNc1cc(C)ccc1C 741455818 MVWRHFWZKHYMIK-UHFFFAOYSA-N 311.385 4.632 30 20 DJED C[C@H](/N=C/c1cc(Cl)cc(Cl)c1O)c1cccc(C#N)c1 743501605 OOWGUWBHDIQGLM-YPZZKDGISA-N 319.191 4.751 30 20 DJED CC1(C)CCC/C(=C/c2ccccc2OCc2cccnc2)C1=O 757535502 VLBYXJNIEMEBJM-AQTBWJFISA-N 321.420 4.823 30 20 DJED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(C(F)(F)F)s1)C2 761479730 MSZYWVCJWBHVPN-JXMROGBWSA-N 324.323 4.598 30 20 DJED COc1ccsc1C(=O)/C=C/c1ccc(C(F)(F)F)s1 761486533 QCERPJRPICSJIZ-DUXPYHPUSA-N 318.341 4.733 30 20 DJED C#CCCCCCC(=O)Nc1cccc(C2SCCS2)c1 779747108 RFZVSRXMYNXAOV-UHFFFAOYSA-N 319.495 4.687 30 20 DJED C=C[C@@H](CC(=O)O[C@H](C)c1ccc(Cl)cn1)c1ccccc1 781713751 LNMIGWFBSGURCJ-KGLIPLIRSA-N 315.800 4.699 30 20 DJED C=CC[C@H](N[C@H]1CC(C)(C)c2cc(OC)ccc21)c1ccncc1 788989019 TWIKHDVUHFOMEN-PMACEKPBSA-N 322.452 4.720 30 20 DJED Cc1nn(C(C)C)cc1/C=C\C(=O)c1ccc(Cl)cc1Cl 798369649 MRZROTVBUOPBQV-DAXSKMNVSA-N 323.223 4.975 30 20 DJED N#CCCCCCC(=O)Oc1ccc(OCc2ccccc2)cc1 805854195 RTUOGUWSOMXSDU-UHFFFAOYSA-N 323.392 4.645 30 20 DJED CC(C)c1ccc(/C=C2/C[C@H](C(=O)O)c3ccccc3C2=O)cc1 806563550 ZFIKYCWBOOFEBN-QMDZLVRISA-N 320.388 4.648 30 20 DJED COc1ccc(/C=C\C(=O)c2cc3ccccc3o2)c(C)c1OC 806570253 URBPGHUKEPIYJD-NTMALXAHSA-N 322.360 4.655 30 20 DJED C[C@H]1/C(=C\c2ccc(F)c(C#N)c2Cl)C(=O)c2ccccc21 809156354 LDXBXLVSMIJIJE-WWNSAXIVSA-N 311.743 4.734 30 20 DJED C#Cc1ccccc1CC(=O)N(CCCC)[C@@H](C)c1ccc(C)o1 810260453 LBNGUFSLVLJMIL-KRWDZBQOSA-N 323.436 4.502 30 20 DJED N#C[C@@H](C(=O)/C=C\C1CCCC1)c1nc(-c2ccccc2)cs1 842689269 ZYDAUFLBXRWFTI-SNGWPZLWSA-N 322.433 4.733 30 20 DJED CCCCCCCC[C@@H](C)CC(=O)N1Cc2ccncc2C1 848384063 XFARCIDTFQJCKE-MRXNPFEDSA-N 302.462 4.701 30 20 DJED COc1ccccc1CON=C[C@@H]1CCC[C@@H](C(F)(F)F)C1 853342746 MXWOGMQFJPTMAN-TZMCWYRMSA-N 315.335 4.566 30 20 DJED CCOc1ccc(O)c(C=Nc2ccc(N3CCCCC3)cc2)c1 920942636 MXSVGCQTPJNTEM-UHFFFAOYSA-N 324.424 4.532 30 20 DJED CC(C)C[C@@H](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 1124215735 LJFZXNVHEKXLMB-CYBMUJFWSA-N 318.486 4.899 30 20 DJED CCc1cc(C#N)c(NC(=O)CCC2CCCCCC2)s1 1125279072 JJTYCKBSPFRPHW-UHFFFAOYSA-N 304.459 4.871 30 20 DJED C[C@H]1Cc2c(sc(NC(=O)c3cccs3)c2C#N)[C@H](C)C1 1129332364 HFXOCEKMZFXBHM-NXEZZACHSA-N 316.451 4.619 30 20 DJED CCCN(CCC1(C#N)CCCCC1)[C@@H]1C[C@@H](OCC)C1(C)C 1167443350 SMJVPYWLMVEMPU-QZTJIDSGSA-N 320.521 4.766 30 20 DJED CCCCN(Cc1ccc(OCC#N)cc1)[C@H]1CCC[C@H](C)C1 1170683622 RHVRYCYKXNLNKL-HKUYNNGSSA-N 314.473 4.770 30 20 DJED C=CCCO[C@@H](C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 1322468313 MNMVRVMXGBRRGD-RYUDHWBXSA-N 318.442 4.577 30 20 DJED CCc1ccc([C@H](NC(=O)c2cc(C#N)ccc2C)C(C)C)cc1 1349343491 KMHSZHVTRZSFJB-HXUWFJFHSA-N 320.436 4.556 30 20 DJED Cc1cc2cc(C(=O)O[C@H](C)c3ccc(C#N)cc3)oc2cc1C 1354918887 LSFFORUVAHWQKT-CQSZACIVSA-N 319.360 4.839 30 20 DJED CC1(C)CC(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 1355657327 VNFODBDYTKDLHM-UHFFFAOYSA-N 320.392 4.725 30 20 DJED C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1)c1ccc(C#N)cc1 1515123121 CJMCIWTZEJADEZ-JTQLQIEISA-N 320.175 4.783 30 20 DJED Cc1ccc(C(=O)N[C@H]2CCC[C@H](C(C)(C)C)CC2)cc1C#N 1516565718 SICCZQHQXIRGFL-ROUUACIJSA-N 312.457 4.592 30 20 DJED CCc1ccc(CNc2c(Br)cccc2C#N)s1 1611792311 ZNOXPUQDFQSPOB-UHFFFAOYSA-N 321.243 4.557 30 20 DJED COc1ccc(C#N)cc1CN1CCC[C@H]1c1c(C)cccc1C 1620387441 WUHRIUAPMNYFGK-IBGZPJMESA-N 320.436 4.521 30 20 DJED CC(C)[C@H]1N(C(=O)CC2(C#N)CCCCC2)CC12CCCCC2 1637609438 WVFIHFZKMAQMCM-GOSISDBHSA-N 316.489 4.668 30 20 DJED N#Cc1cc(F)ccc1CN1CCC[C@H]1CC1CCCCC1 1652386689 JIVGTVVMZJLZPZ-IBGZPJMESA-N 300.421 4.632 30 20 DJED C/C(=C\c1ccccc1C(F)(F)F)CNCC(C)(C)CC#N 1656409931 NJNZPJLBULIEAZ-JLHYYAGUSA-N 310.363 4.638 30 20 DJED N#CCc1cccc(NCc2ccc(Oc3ccccc3)o2)c1 1657383917 KOJUYQMGXLNIJG-UHFFFAOYSA-N 304.349 4.750 30 20 DJED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 1672795038 WIZAKZNGUBFJAG-IAQYHMDHSA-N 319.836 4.548 30 20 DJED N#CCOc1ccc(C(=O)/C=C/c2cccc3ccccc23)cc1 8321675 BNWNSLDWYFDJMH-JLHYYAGUSA-N 313.356 4.638 30 20 DJED Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(C(C)(C)C#N)cc1 25840002 AYTSXMFZZGWGPY-UHFFFAOYSA-N 317.392 4.530 30 20 DJED CCOc1cccc2cc([C@@H](C)NCc3ccc(C#N)cc3)oc12 53143905 HAJCTHRLHJIUBF-CQSZACIVSA-N 320.392 4.554 30 20 DJED COc1ccc2nc(N[C@@H](CCC#N)c3ccccc3)ccc2c1 164329096 ICGBSZHSMFSOFZ-SFHVURJKSA-N 317.392 4.700 30 20 DJED C/C(=C\C(=O)[C@H](C#N)c1nc(C(C)C)cs1)c1ccccc1 177754707 SRPJUAHHXVBNJL-GLNPCMGASA-N 310.422 4.546 30 20 DJED N#CCC[C@@H](Nc1ccnc2c(F)cccc12)c1ccccc1 302675788 MSWCWUFAFNTJDH-QGZVFWFLSA-N 305.356 4.831 30 20 DJED N#Cc1ccc(C(=O)COc2ccc(Cl)c3ccccc23)cc1 321495843 UDVYWFWVLSMMRS-UHFFFAOYSA-N 321.763 4.627 30 20 DJED C[C@@H]1CC(O)=N[C@H](/C(O)=N/C2CCC3(CCCCC3)CC2)C1 328982393 FBYBVTQYXVCTGD-ZFWWWQNUSA-N 306.450 4.591 30 20 DJED N#CCC[C@H](NC(=O)c1ccc(C2CCC2)cc1)c1ccccc1 358178431 GQGYQELGOZITQT-FQEVSTJZSA-N 318.420 4.729 30 20 DJED C[C@@H](CNCc1cc(F)cc(C(F)(F)F)c1)CC(F)(F)F 396878788 GNYLMXWKEYAZKU-MRVPVSSYSA-N 317.248 4.523 30 20 DJED Cc1ccc(C(=O)Nc2sc(C(C)(C)C)cc2C#N)c(F)c1 411009247 WWJGDNXLAJEBOB-UHFFFAOYSA-N 316.401 4.617 30 20 DJED CCC1(C(=O)Nc2ccc(CC#N)cc2Cl)CCCCC1 411009504 ABYSDNPYUUACPH-UHFFFAOYSA-N 304.821 4.705 30 20 DJED COc1ccc2oc(CN(C)[C@H](C)c3cccc(C#N)c3)cc2c1 425368389 WNVFVBVEISWRLI-CQSZACIVSA-N 320.392 4.506 30 20 DJED CC[C@H](c1ccccc1)N(CC)C(=O)Nc1cccc(C#N)c1C 431938115 LYTDVKVHQSTDGM-LJQANCHMSA-N 321.424 4.872 30 20 DJED C=C[C@@H](Cc1nc(-c2ccc(C)cc2OC)no1)c1ccccc1 432538999 RYHZBBIBYMQNKL-HNNXBMFYSA-N 320.392 4.566 30 20 DJED N#CCCC[C@@H](NC[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 433023648 RZUOBAYEFATMQJ-PCCBWWKXSA-N 304.437 4.815 30 20 DJED CC(=O)c1cc(Cl)c(Cl)cc1OCc1cccc(C#N)c1 434740622 ZJNKAAOOAIHSIY-UHFFFAOYSA-N 320.175 4.647 30 20 DJED Cc1ccc(SC[C@@H](C)NC2CCC(C)(C#N)CC2)cc1 449253085 XGQGZHMOPOCFPR-KLHKWILBSA-N 302.487 4.538 30 20 DJED C=CC[C@@H](CC)NC(=O)c1c(Cl)cc(Cl)cc1Cl 451621541 BYUTZPRORZSHDO-SECBINFHSA-N 306.620 4.731 30 20 DJED C=Cc1ccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc1 453780582 PKVLRBSRTDGYRU-CQSZACIVSA-N 310.422 4.574 30 20 DJED CC#CCCCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 464561798 XEVHDBODCUFIJC-UHFFFAOYSA-N 318.376 4.627 30 20 DJED CCCCn1ncc(N[C@H](C)c2cccc(C#N)c2)c1C(C)C 477925288 HWCXSLOHQZSGIM-OAHLLOKOSA-N 310.445 4.851 30 20 DJED Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2ccc(C#N)s2)cc1 487567590 BQJSWQWXISWHCC-KSSFIOAISA-N 324.449 4.542 30 20 DJED C=CCOc1cccc(NC(=O)N(CCCC)CCCC)c1 510967542 MRRKIZQFNOCMCC-UHFFFAOYSA-N 304.434 4.686 30 20 DJED C=CCCO[C@@H](C)C(=O)N(CC(C)C)[C@H](CC)c1ccccc1 518395981 VFLHWQCWPOPEOH-PKOBYXMFSA-N 317.473 4.604 30 20 DJED C=CCn1c(C)nnc1S[C@@H](C)c1ccc(C(C)(C)C)cc1 522769915 RYUDZQDUKKUPBN-ZDUSSCGKSA-N 315.486 4.923 30 20 DJED CC(C)Oc1ccccc1[C@H](C)Nc1ccc(Cl)c(C#N)n1 524684862 ABDSTXBMQJNQJN-LBPRGKRZSA-N 315.804 4.567 30 20 DJED C=C(CC)CS[C@H](C)c1nc(-c2ccc(OC)cc2)no1 536882819 XAUYIOZREQCRPB-GFCCVEGCSA-N 304.415 4.506 30 20 DJED Cc1cccc(C)c1OC[C@H](NCCCCC#N)c1ccccc1 553063517 ZZENWGSUQSMQLA-FQEVSTJZSA-N 322.452 4.707 30 20 DJED C[C@H](NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(C#N)cc1 553759223 HJZFDJNZHGYQGH-NOLJZWGESA-N 310.363 4.578 30 20 DJED COc1ccc([C@@H](CCC#N)NCc2cc3ccccc3o2)cc1 562593192 BMIRNGNLHIQHOE-LJQANCHMSA-N 320.392 4.576 30 20 DJED C=CCCC(=O)Nc1ccc(Oc2ccccc2OC)c(F)c1 588034005 NHANTBCZSGWFFA-UHFFFAOYSA-N 315.344 4.531 30 20 DJED C[C@H](N[C@@H]1CCc2cc(F)c(Cl)cc21)c1cccc(C#N)c1 599026470 BBYMAKHOBDVYJZ-BBATYDOGSA-N 314.791 4.689 30 20 DJED CCc1nc2ccc(N[C@H](C)c3cccc(C#N)c3)cc2s1 600851353 NYMDJUMONZNORB-GFCCVEGCSA-N 307.422 4.903 30 20 DJED Cc1cccc2sc(C(=O)N(CCC#N)C(C)C)c(Cl)c12 608813625 JNHVIUYVAYCGPK-UHFFFAOYSA-N 320.845 4.627 30 20 DJED N#C[C@H](Cc1ccccc1)Sc1nc(-c2ccccc2)co1 618149643 HVTSHWNOJWMOGY-INIZCTEOSA-N 306.390 4.569 30 20 DJED CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(C)s1 726425964 MNXSYBGWJDFUSN-UHFFFAOYSA-N 323.343 4.783 30 20 DJED CC(CC(C)(C)c1ccccc1)=NNc1cc(Cl)nc(C)n1 741765278 CERRAPFMLNYGIF-UHFFFAOYSA-N 316.836 4.594 30 20 DJED CCCCCC[C@](C)(CC)C(=O)NCc1ccc(C#N)cc1 742524844 UBYQPIBCBLKBBH-IBGZPJMESA-N 300.446 4.561 30 20 DJED CCCCC[C@@H](C)CC(=O)Nc1cc(C#N)ccc1OCC 742580553 FRVMVUXYOOALAS-CQSZACIVSA-N 302.418 4.502 30 20 DJED Clc1ccccc1-c1ccc(C=NOCc2cccnc2)o1 746588754 RRZQCSCIVFINFK-UHFFFAOYSA-N 312.756 4.546 30 20 DJED CC[C@@H](C)Oc1cc(/C=C/C(=O)c2cccs2)ccc1OC 749453440 TYNLEGJHYWAHBI-BUUCAEBMSA-N 316.422 4.830 30 20 DJED Cc1cnc([C@H](C)C/N=C\c2c(O)ccc3ccccc23)s1 753993547 GTBAXRSRBVJNDR-ZDFPAGSVSA-N 310.422 4.533 30 20 DJED CCSc1ccc(C(=O)/C=C/c2ccc(C#N)cc2F)cc1 755607246 VKUBKUUHZCAGPW-JXMROGBWSA-N 311.381 4.705 30 20 DJED C#CC[C@H](NCc1cnc(-c2cccs2)s1)c1ccccc1 756996611 QMUICRLEZONWKR-INIZCTEOSA-N 324.474 4.726 30 20 DJED COc1ccccc1[C@@H](C)Sc1snc(Cl)c1C#N 771223072 CDYPHOYBOWKLCS-MRVPVSSYSA-N 310.831 4.530 30 20 DJED C#CCCCCC(=O)N[C@@H](c1oc2ccccc2c1C)C(C)C 773373642 BXLCFPYMQAUUNK-LJQANCHMSA-N 311.425 4.748 30 20 DJED CC(=NNc1ccnc(F)c1)c1cc(F)c(Cl)cc1Cl 781132778 JFIPZPPDCHPMGL-UHFFFAOYSA-N 316.138 4.503 30 20 DJED C=CC[C@@H](C(=O)O[C@@H](C)c1ccc(Cl)cn1)c1ccccc1 781602165 XFLQFPJZLQINPA-XJKSGUPXSA-N 315.800 4.699 30 20 DJED Fc1cccc(Cl)c1NN=C1CCC[C@H](C(F)(F)F)C1 783524888 UNCIPKFXZCZBGY-QMMMGPOBSA-N 308.706 5.000 30 20 DJED C#CCCCCCC(=O)N1CC=C(c2cccc(Cl)c2)CC1 794026403 QTAVTRIPNNHUDJ-UHFFFAOYSA-N 315.844 4.539 30 20 DJED C=CCCCCCCCCNC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C 807843383 IOBDSSJWOZKNOU-IRXDYDNUSA-N 321.505 4.661 30 20 DJED CC(C)(C)c1nc(C#N)c(NN=C2CC[C@@H](c3ccccc3)C2)o1 814822116 RSSZBSAKKNPTNK-CQSZACIVSA-N 322.412 4.579 30 20 DJED CSc1ccc(Cl)c(C(=O)O[C@@H](C)CC(C)(C)C#N)c1 851211668 BDGDBQUYODJLHN-JTQLQIEISA-N 311.834 4.547 30 20 DJED CCCCCCCC(=O)Nc1cc(NC(=O)CC)ccc1C 915650807 UPKIQWSUPJJEBR-UHFFFAOYSA-N 304.434 4.643 30 20 DJED C/C=C/C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 916056718 GPTGMTGDPLWGEM-BAXHPOPBSA-N 310.784 4.510 30 20 DJED O=C(/C=C\c1c(Cl)nc2ccccn12)c1cccc(Cl)c1 916137608 VTPHNQOIEJTBJS-FPLPWBNLSA-N 317.175 4.537 30 20 DJED CC(=NNc1ccc(Cl)c(C(=O)O)c1)c1ccccc1Cl 916259585 PVXIBDCTDSYOLV-UHFFFAOYSA-N 323.179 4.528 30 20 DJED N#CC[C@@H](C(=O)Nc1ccc2c(c1)CCCCC2)c1ccccc1 1130489959 ZDRWZQNLJRHZDN-HXUWFJFHSA-N 318.420 4.591 30 20 DJED CCN(Cc1ccc(Cl)cc1C#N)[C@H](C)Cc1ccsc1 1169606102 ZBBDRCFKERKLPN-CYBMUJFWSA-N 318.873 4.726 30 20 DJED C[C@@H](CCC#N)CN(Cc1c(Cl)cccc1Cl)C1CC1 1181577223 QWNBRDSVNOFGJW-LBPRGKRZSA-N 311.256 4.898 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1N1CCc2ccc(F)cc21 1186325048 ALGUEOYXICOEST-UHFFFAOYSA-N 323.758 4.593 30 20 DJED C[C@@H](OC(=O)c1ccc(-c2ccccc2)o1)c1ccc(C#N)cc1 1265620337 HAXTUIXAWYSSKE-CQSZACIVSA-N 317.344 4.736 30 20 DJED C[C@@H]1CCc2ccccc2[C@H]1Nc1nc(C(C)(C)C)ccc1C#N 1307083682 KHZRMUKFMIMZJG-KUHUBIRLSA-N 319.452 4.986 30 20 DJED CC(C)(C)c1ccc(NN=C2CCC[C@@H]2c2ccccc2)nn1 1318626111 MSOIBBJGBYJVKN-OAHLLOKOSA-N 308.429 4.510 30 20 DJED CSc1ccccc1C(=O)/C=C/c1cnc(Cl)c(C)c1 1321179824 LJPWZJAKQGMCFX-BQYQJAHWSA-N 303.814 4.661 30 20 DJED CCN(Cc1ccc(Oc2cccc(F)c2)cc1)C[C@@H](C)C#N 1461964814 JZSAEFORNUGWQH-HNNXBMFYSA-N 312.388 4.600 30 20 DJED CC(C)[C@H](CN[C@@H](C)CC(C)(C)C#N)c1ccc(Cl)cc1 1462216686 DMSVLGMKLUJEAE-YOEHRIQHSA-N 306.881 4.998 30 20 DJED CCCN(Cc1ccc(F)cc1)Cc1ccc(Cl)cc1C#N 1473129311 AASHXPNCMURZNJ-UHFFFAOYSA-N 316.807 4.763 30 20 DJED N#Cc1ccccc1-c1ccc(CN2CCC[C@H]3CCC[C@@H]32)cc1 1473171573 BKZRWQOXWSMHFV-KNQAVFIVSA-N 316.448 4.990 30 20 DJED COc1cc(CN(C)c2ccc(C(C)(C)C)cc2)ccc1C#N 1474430153 ZQDFLXBPZLMLCZ-UHFFFAOYSA-N 308.425 4.501 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2ccc(C(C)C)c(Cl)c2)c1 1528802364 OBDMFTKQKWVQOG-UHFFFAOYSA-N 312.800 4.896 30 20 DJED Cc1ccc2sc(C(=O)O[C@@H](C)c3cccc(C#N)c3)cc2c1 1544187803 SQSWVAGIVSIFIP-ZDUSSCGKSA-N 321.401 4.999 30 20 DJED COc1cc(C#N)ccc1OCC1CCC(c2ccccc2)CC1 1559312314 DDYDVNPMPZFAFL-UHFFFAOYSA-N 321.420 4.920 30 20 DJED CCc1nc(C#N)cc(Nc2ccc(SC3CCCC3)cc2)n1 1612155310 ZFOFGHKCMMTWSD-UHFFFAOYSA-N 324.453 4.689 30 20 DJED Cc1nnc(SCCC2C[C@@H](C)C[C@H](C)C2)c(C#N)c1C 1613462211 KXXIRYJNJSQTDS-RYUDHWBXSA-N 303.475 4.520 30 20 DJED CCCCN(Cc1cc(C#N)ccc1OC)C1CCCCC1 1618190497 OCWWZWANFZKLAB-UHFFFAOYSA-N 300.446 4.502 30 20 DJED Cc1ccc([C@@H]2C[C@@H](C)N([C@H](C)c3cccc(C#N)c3)C2)cc1 1642921519 OPZXWHUKBAXPFL-CBGDNZLLSA-N 304.437 4.806 30 20 DJED C=C(CNC(=O)N1CCC[C@@H]1c1ccccc1C)c1ccccc1 1681774936 SYFDHFSNOHAQEJ-HXUWFJFHSA-N 320.436 4.555 30 20 DJED CC(=NNc1ccc(Cl)cc1Cl)c1cccc(C(=O)O)c1 1776029657 KVOJSUCFADCCGL-UHFFFAOYSA-N 323.179 4.528 30 20 DJED C[C@H](NC(=O)Nc1ccccc1C(C)(C)C)c1ccc(C#N)cc1 43314167 GBOCUVLIKOTXQM-AWEZNQCLSA-N 321.424 4.738 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)/C=C/C2CCCCC2)n1 80450704 DFFPGDTUCVHEGW-VFNNOXKTSA-N 302.443 4.579 30 20 DJED Cc1cnc([C@@H](C)Nc2ccc(C(F)(F)F)c(C#N)c2)s1 124608443 VCHCAFPMCYYAJI-SECBINFHSA-N 311.332 4.515 30 20 DJED N#CCC[C@@H](NCc1ccc2ccccc2c1)c1ccccc1 130522917 PWMHYJWXCHIGJA-OAQYLSRUSA-N 300.405 4.974 30 20 DJED N#CCCSc1ccccc1NCCCCC(F)(F)F 151919412 OOFSKHWEBBOKTB-UHFFFAOYSA-N 302.365 4.837 30 20 DJED CCc1cc(Br)ccc1NCc1ccc(C#N)s1 167557205 WPKYQQJRQXGPII-UHFFFAOYSA-N 321.243 4.557 30 20 DJED Cc1cc(CNCc2cc(C#N)cs2)ccc1-c1ccccc1 189511626 UOADPPIXEYQFQH-UHFFFAOYSA-N 318.445 4.885 30 20 DJED CCSc1ccc([C@@H](C)NCc2ccc(C#N)c(F)c2)cc1 192156135 QHLUNPWKMIHNRA-CYBMUJFWSA-N 314.429 4.660 30 20 DJED O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 212136487 LPXVNPLYWZZNFS-WTKPLQERSA-N 321.254 4.510 30 20 DJED CCC(CC)c1cc(CNc2c(C#N)cnc3ccccc23)on1 301470626 SPFRFNFQZJRDSN-UHFFFAOYSA-N 320.396 4.610 30 20 DJED Cc1c([C@H](C)Nc2ccc([N+](=O)[O-])c(C#N)c2)oc2ccccc12 302164181 ISVDMHULPIKGJM-LBPRGKRZSA-N 321.336 4.694 30 20 DJED CC(C)(C(O)=Nc1cccc([C@H]2CN=C(O)C2)c1)C1CCCC1 328865175 NGCJWMCVTDAUBN-CQSZACIVSA-N 314.429 4.935 30 20 DJED CC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 341711657 PHITWCBBZREDEA-UXHICEINSA-N 308.400 4.816 30 20 DJED C[C@H](CCc1cccc(F)c1)N[C@H](CCC#N)c1ccccc1 358336090 CEJUPIRKXAVFDR-OXQOHEQNSA-N 310.416 4.781 30 20 DJED CC1(C)CCCc2cc(C#N)c(N3CCC[C@@H]3c3ccco3)nc21 428107686 MZIGMCRBNAZQCH-MRXNPFEDSA-N 321.424 4.502 30 20 DJED N#Cc1cc(NCc2cc(F)cc3cccnc23)ccc1Cl 432447503 PLDFKGNRGGQUEM-UHFFFAOYSA-N 311.747 4.511 30 20 DJED CC(C)(C#N)CCCC[S@](=O)Cc1ccc(C2CCC2)cc1 447105122 DRJPSQMFVPDZND-QFIPXVFZSA-N 317.498 4.923 30 20 DJED Cc1ccc(C)c([C@H](C)N(C)C(=O)Nc2cccc(CC#N)c2)c1 455916781 JBPOYYZZZHMFCX-INIZCTEOSA-N 321.424 4.594 30 20 DJED CCCCc1nc(CNc2ccc(Cl)c(C#N)c2)cs1 462219094 KWKDSDGAKSJAPI-UHFFFAOYSA-N 305.834 4.623 30 20 DJED CCN(C(=O)C[C@H](CC#N)c1ccccc1)c1cc(C)cc(C)c1 474785625 MFDNZTKGMNUULK-IBGZPJMESA-N 320.436 4.744 30 20 DJED CN(CCC1CCCCC1)C(=O)c1ccc(C(C)(C)C#N)cc1 475525835 KGENRAKPULOBJX-UHFFFAOYSA-N 312.457 4.530 30 20 DJED Cc1ccc2c(C(=O)Nc3cccc(C#N)c3C)csc2c1 480362156 HYGHOFKCTDDTMV-UHFFFAOYSA-N 306.390 4.642 30 20 DJED C=CCOc1ccc(CN(Cc2cscn2)C(C)(C)C)cc1 506045990 OSZMTXBBOZVADK-UHFFFAOYSA-N 316.470 4.509 30 20 DJED Cc1ccc(C#N)cc1NC(=O)[C@H](CC(C)C)c1ccccc1 530593698 ALGPLHRGHORIJT-GOSISDBHSA-N 306.409 4.635 30 20 DJED CCC(CC)[C@H](C)C(=O)N(CC)c1ccc(C#N)c(Cl)c1 538073740 KSMIDDGJRYPNIU-LBPRGKRZSA-N 306.837 4.637 30 20 DJED C=CCN(C(=O)Nc1ccc(C(F)(F)F)cc1Cl)C1CC1 540127989 JJZXBJZPDDBCNZ-UHFFFAOYSA-N 318.726 4.541 30 20 DJED C=CCCOCCCCC(=O)N1CCC[C@H]1CC1CCCCC1 540492304 URGMIWVVWMKPFO-IBGZPJMESA-N 321.505 4.711 30 20 DJED N#Cc1cccc(CNc2ccc(CCC(F)(F)F)cc2)c1F 544085367 QZPUFDUCDQGKTG-UHFFFAOYSA-N 322.305 4.804 30 20 DJED C[C@@H]1CCCC[C@@H]1c1noc(-c2ccc(C3(C#N)CC3)cc2)n1 547098742 QTTUMKOSTSIHEM-CJNGLKHVSA-N 307.397 4.585 30 20 DJED C[C@H](Cc1c(Cl)cccc1Cl)NCC(C)(C)CCC#N 554072828 HSLJNGCQBBUHPV-GFCCVEGCSA-N 313.272 4.844 30 20 DJED Cc1oc(-c2ccccc2)nc1CSc1cccc(F)c1C#N 580392000 XEXVKWGJWQSKQQ-UHFFFAOYSA-N 324.380 4.953 30 20 DJED C[C@@H](NC(=O)CC1(C#N)CCCCC1)c1ccc(F)cc1Cl 597266732 IEQZPLMGMWTAFY-GFCCVEGCSA-N 322.811 4.520 30 20 DJED CCCCOc1ccc(OC)cc1N[C@H](C)c1cccc(C#N)c1 600848817 LBOWMFUERRTFDR-OAHLLOKOSA-N 324.424 4.919 30 20 DJED CC[C@H](C)[C@@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 603521281 MGUQGJVOWQFFJI-TWOQFEAHSA-N 320.436 4.565 30 20 DJED C=CCCCCCN(C)C(=O)N[C@@H](C)c1cc2ccccc2o1 606925649 NNNSRXPPHBCXOJ-HNNXBMFYSA-N 314.429 4.882 30 20 DJED COCCOc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1 730464551 SXGRCIVYEUBJTB-AWNIVKPZSA-N 324.420 4.731 30 20 DJED CCCC(CCC)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 753551481 XGAGGAMRILIAIO-ZDUSSCGKSA-N 318.417 4.828 30 20 DJED COc1cccc(C(=O)/C=C\c2ccc(C(F)(F)F)s2)c1 761473434 FMTBALFWMHTDSF-ALCCZGGFSA-N 312.312 4.672 30 20 DJED C=CC[C@@H](N[C@@H](C)c1ccc(OCCC)cc1)c1ccncc1 766020420 PEKOXPXQQYYPOW-OXJNMPFZSA-N 310.441 4.838 30 20 DJED CCc1cnccc1C(=O)/C=C/c1ccc(C(F)(F)F)cc1 766771633 GIYVQLJEYWBRND-VMPITWQZSA-N 305.299 4.559 30 20 DJED N#C[C@H](C(=O)C1=CCCCCC1)c1nc2cc(F)ccc2s1 774070770 ANFIZEDBRYNIKR-CYBMUJFWSA-N 314.385 4.502 30 20 DJED COc1ccccc1[C@H](NCc1ccc(C#N)cc1)C1CCCC1 774393136 MONCHITWWPRSER-OAQYLSRUSA-N 320.436 4.588 30 20 DJED CCc1cnccc1C(=O)/C=C\c1ccc(N2CCCCC2)cc1 776192362 PJKDLVLKWQGXOM-FLIBITNWSA-N 320.436 4.530 30 20 DJED C[C@H](CC(=O)OCCCC(C)(C)C#N)Cc1ccc(Cl)cc1 784517882 OWHUNRPARDIZER-AWEZNQCLSA-N 321.848 4.782 30 20 DJED CC(C)CC(C)(C)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797570912 KNJHBAFHBPIKBO-GFCCVEGCSA-N 306.475 4.689 30 20 DJED C#CC[C@@H](N[C@@H]1CCCc2c1[nH]c1ccccc21)c1ccccc1 808708555 MXMVTBIIFLNUDU-TZIWHRDSSA-N 314.432 4.900 30 20 DJED CC(C)(C)SCCCC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842940775 JJBZLZQJCZHTHY-GFCCVEGCSA-N 322.499 4.509 30 20 DJED Cn1ncc(C2CC2)c1/C=C\C(=O)c1cc(Cl)ccc1Cl 849242346 YXWJMNGIALNYJE-SREVYHEPSA-N 321.207 4.500 30 20 DJED C[C@@H](CC(C)(C)C#N)NC(c1cccs1)c1cccs1 925448676 BUZHXBGAJNATID-LBPRGKRZSA-N 304.484 4.817 30 20 DJED CC[C@@H]1c2ccsc2CCN1CCC1(C#N)CCCCC1 1167003649 BQBYRKUMEXUYJR-MRXNPFEDSA-N 302.487 4.921 30 20 DJED Cc1ccc(CN(Cc2ccc(Cl)cc2C#N)C(C)C)s1 1167158776 ZVMBKTMCBUOOGF-UHFFFAOYSA-N 318.873 4.992 30 20 DJED C[C@@H](C1CCCCC1)N(C)Cc1ccc(C#N)cc1OC(F)F 1169723750 GPTNHWCEGCUKCW-ZDUSSCGKSA-N 322.399 4.560 30 20 DJED Cc1ccccc1[C@H](Nc1cc(C#N)cnn1)C1CCC(C)CC1 1186907026 YERRICKAEKXVQJ-CODVMQSSSA-N 320.440 4.636 30 20 DJED C[C@@H](S[C@H](C#N)C1CC1)c1ccc(OC(F)(F)F)cc1 1188683690 IIEBEIPCRQWOIP-NOZJJQNGSA-N 301.333 4.682 30 20 DJED N#C[C@@H](c1ccccc1)N1CCc2cc(Cl)cc(Cl)c2C1 1191486489 QWHCZRFYYQHFOX-KRWDZBQOSA-N 317.219 4.616 30 20 DJED CC(C)(C)c1ccc2c(c1)CCN2C(=O)CC1(C#N)CCCCC1 1269886537 DMKHJGMLQWYUPJ-UHFFFAOYSA-N 324.468 4.737 30 20 DJED C[C@H](C#N)CNCc1cc(F)ccc1Oc1ccc(Cl)cc1 1308548419 RPWMGAQDJTXTIN-GFCCVEGCSA-N 318.779 4.521 30 20 DJED C[C@H](Cc1coc2ccccc12)NCc1ccc(C#N)c(Cl)c1 1308716585 XRMHGORXNVPPLJ-CYBMUJFWSA-N 324.811 4.679 30 20 DJED Cc1ccc(C#N)cc1C(=O)Nc1ccccc1-c1ccccc1 1349165373 LVZFWUIXIMVOBA-UHFFFAOYSA-N 312.372 4.786 30 20 DJED CC(C)(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CCCC1 1360912384 QDXIBFMQISLGTP-UHFFFAOYSA-N 324.346 4.732 30 20 DJED CC(C)(C)c1ccc(C#N)c(NCCc2ccccc2Cl)n1 1458145357 QATAQHDMSAEXAQ-UHFFFAOYSA-N 313.832 4.559 30 20 DJED Cc1cccc2c1CC(C)(C)N(CCC1(C#N)CCCCC1)C2 1460135889 APSYOHDLPDMOCC-UHFFFAOYSA-N 310.485 4.996 30 20 DJED Cc1cc(C#N)cc(NCc2ccc3c(c2)CCC(C)(C)O3)c1 1461585138 ZTJCQCYXEDENFS-UHFFFAOYSA-N 306.409 4.582 30 20 DJED Cc1cc(N(CCc2ccccc2)CCC(C)(C)C)ncc1C#N 1472862253 KRWMJVMHMQCYEI-UHFFFAOYSA-N 321.468 4.747 30 20 DJED CCN(Cc1ccc(F)cc1C#N)c1cccc2ccccc12 1473641414 RWZHHPBRNFLYOC-UHFFFAOYSA-N 304.368 4.877 30 20 DJED N#Cc1c(F)cccc1SC[C@H](O)c1cccc2ccccc12 1559418999 QZORLILMYYJAPM-SFHVURJKSA-N 323.392 4.676 30 20 DJED C[C@H]1CCCC[C@H]1NCc1ccc(-c2ccccc2C#N)cc1 1617013424 CLAVZRBFFMFEAW-HRAATJIYSA-N 304.437 4.894 30 20 DJED CCN(Cc1cc2c(C)cccc2[nH]1)[C@H](C)c1ccc(C#N)cc1 1621174308 VNMXVVINVZRKIW-MRXNPFEDSA-N 317.436 4.931 30 20 DJED C[C@@H](CCc1ccc(C(F)(F)F)cc1)NCC(C)(C)CC#N 1621384318 MTGAWFDLGOYRBT-ZDUSSCGKSA-N 312.379 4.556 30 20 DJED CC(C)(CC#N)CSc1nc2ccc(C(F)(F)F)cc2[nH]1 1643650305 LWJPJVJBBLCXDD-UHFFFAOYSA-N 313.348 4.614 30 20 DJED Cc1cc(N[C@H]2c3ccccc3CC[C@@H]2C(C)C)ncc1C#N 1651726332 OMRHIUOLDSIHEI-YLJYHZDGSA-N 305.425 4.633 30 20 DJED Cc1cc(N[C@H](C)CCC2CC2)n2c(nc3ccccc32)c1C#N 1655402582 YQNXCEUDUZGIEB-CQSZACIVSA-N 318.424 4.658 30 20 DJED CC(C)(C)c1ccc2c(c1)CCCN2Cc1ccc(C#N)cc1F 1664243345 KLSZDPXCJKNWAZ-UHFFFAOYSA-N 322.427 4.948 30 20 DJED N#Cc1cc([N+](=O)[O-])ccc1Oc1cc(Cl)cc(Cl)c1 3611793 QQLTXNQWBPBKDS-UHFFFAOYSA-N 309.108 4.566 30 20 DJED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)Cc1cccc(C#N)c1 63751955 BGFCNUBXCHLZJG-ZDUSSCGKSA-N 318.342 4.770 30 20 DJED CC(C)(NCc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 67011473 XCUNKCWRTJTZLN-UHFFFAOYSA-N 318.342 4.602 30 20 DJED CCc1ccc(C(=O)/C=C/c2cnc(-c3ccccc3)nc2)s1 108129562 ZDXCEKFCMNJVEN-CSKARUKUSA-N 320.417 4.664 30 20 DJED N#CCCSc1ccccc1NC(=O)CC1=CCCCC1 108199163 XZRVWSLXPRBHIA-UHFFFAOYSA-N 300.427 4.521 30 20 DJED CC(C)c1noc([C@@H](C)S[C@@H](C)c2ccc(C#N)cc2)n1 118444150 JJTYBVZPUJYOTP-NWDGAFQWSA-N 301.415 4.620 30 20 DJED C=C[C@H](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1ccccc1 179384205 UJNAAYVLWRXIME-HZPDHXFCSA-N 311.400 4.705 30 20 DJED Cc1c(Cl)cc(NCc2ccc(C#N)cc2F)cc1Cl 195707082 JVIXCAFKIKWCDH-UHFFFAOYSA-N 309.171 4.925 30 20 DJED CC(C)COc1ccc(C(C)(C)NCc2cccc(C#N)c2)cc1 236666742 LBWYEFLPWWDJSZ-UHFFFAOYSA-N 322.452 4.618 30 20 DJED CC(=NNc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1 254472586 RPCGPXOMZXMCPN-UHFFFAOYSA-N 319.195 4.706 30 20 DJED Cc1cscc1N=C(O)C1CCC(/N=C(/O)C2CC2)CC1 330024817 KCQCVMYWYAORMH-UHFFFAOYSA-N 306.431 4.570 30 20 DJED N#CCC[C@@H](NC/C=C\c1ccc(F)c(F)c1)c1ccccc1 352761327 WBULVNHJYBDCPG-SFFCAUCYSA-N 312.363 4.613 30 20 DJED N#Cc1nc(Oc2ccc(Oc3ccccc3)nc2)ccc1Cl 428647381 AJKOZWZLPFBCAY-UHFFFAOYSA-N 323.739 4.586 30 20 DJED COCCOc1ccc(SCCCCC(C)(C)C#N)cc1 436211228 QLKTZSSLSNZJBS-UHFFFAOYSA-N 307.459 4.524 30 20 DJED CC(C)(C#N)CCCN[C@H](c1ccc(F)c(Cl)c1)C1CC1 451356699 RWTUHOMRBYQNEU-INIZCTEOSA-N 308.828 4.850 30 20 DJED C=CCN(CCc1ccco1)C(=O)Nc1cccc(C2CCC2)c1 463842985 VSIVHMYQLZFJAV-UHFFFAOYSA-N 324.424 4.810 30 20 DJED COc1ccc2c(c1)C(C)(C)C[C@H]2N[C@H](C)c1ccc(C#N)cc1 474056669 LSIDVFCIERRLFI-JLTOFOAXSA-N 320.436 4.640 30 20 DJED C=CCCCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl 479515306 IQQFDHQJCSMVBB-LLVKDONJSA-N 300.229 4.869 30 20 DJED Cc1nc(Nc2ccc3nc(C(F)F)sc3c2)ccc1C#N 487992713 VKIDSYZDKINPCB-UHFFFAOYSA-N 316.336 4.553 30 20 DJED C=CC[C@@H](C(=O)Nc1sc(CCC)nc1C)c1ccccc1 490223132 NBMHGODHTSRXKH-OAHLLOKOSA-N 314.454 4.702 30 20 DJED N#Cc1c(F)cccc1NCc1nc2cc(Cl)ccc2s1 517092255 RYGHUZXQNVDMKZ-UHFFFAOYSA-N 317.776 4.573 30 20 DJED CC(C)(C)c1cc(NC(=O)c2ccc(Cl)cc2)c(C#N)s1 533808180 FZXISMQMBBVNCC-UHFFFAOYSA-N 318.829 4.823 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1scnc1C1CC1 535699561 IGYBXBFCUDEWRS-UHFFFAOYSA-N 319.474 4.621 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(C2CC2)ccn1 570438766 DDEDGBXVGVWEJS-UHFFFAOYSA-N 321.424 4.569 30 20 DJED COC[C@@H](Nc1ccc(C#N)c(Cl)c1)c1cccc(Cl)c1 583956786 WAYLPCYHJTXULO-MRXNPFEDSA-N 321.207 4.665 30 20 DJED N#Cc1nc(N2CCC[C@H]2c2ccccc2Cl)sc1Cl 596085956 QIWLDCMSMWQNDV-LBPRGKRZSA-N 324.236 4.663 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H](CC)CC(F)F 660539485 LYHZOKOEOALDGZ-HNNXBMFYSA-N 313.436 4.524 30 20 DJED Cc1ccc(-c2ncc(C=NOCc3ccccc3)s2)cc1 734299581 ZSIOEOCUMWXXRD-UHFFFAOYSA-N 308.406 4.669 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)C1CCCCCCC1 741536400 UTGHCSRHSDMRKD-UHFFFAOYSA-N 312.457 4.657 30 20 DJED Cc1ccc(C(=O)/C=C\c2cc3ccccc3o2)cc1[N+](=O)[O-] 750894985 COSGGANUXZCTNN-HJWRWDBZSA-N 307.305 4.546 30 20 DJED C#CC[C@H](NCc1ccc(F)cc1C(F)(F)F)c1ccccc1 776253559 XWBOAMKUOOSKBW-KRWDZBQOSA-N 321.317 4.699 30 20 DJED CSc1ccc(Cl)c(C(=O)O[C@H](C#N)C2CCCCC2)c1 776362058 XURONYWSNPJCAX-OAHLLOKOSA-N 323.845 4.691 30 20 DJED C=CC[C@@H](C(=O)O[C@H](C)c1cccc(C#N)c1)c1ccccc1 778631576 IKWZGJUCCMJGEM-DNVCBOLYSA-N 305.377 4.522 30 20 DJED Cc1ccc(CC[C@@H](C)Nc2ccccc2O[C@H](C)C#N)cc1 780745444 PVWGRWZOFWXGOS-IAGOWNOFSA-N 308.425 4.719 30 20 DJED O=C(/C=C\c1coc(-c2ccccc2)n1)c1csc(Cl)c1 787185868 JRMJBECVIUJSII-SREVYHEPSA-N 315.781 4.953 30 20 DJED Cc1cc(NCc2ccc(O[C@H](C)C#N)cc2)cc(C)c1Cl 799352631 YYGFRXKFLRQYJV-CQSZACIVSA-N 314.816 4.860 30 20 DJED FC(F)(F)c1cscc1C=NNc1ccc2ccccc2n1 811629828 HTRJZQIMTHLFOL-UHFFFAOYSA-N 321.327 4.761 30 20 DJED Cc1ncccc1/C=C\C(=O)c1csc(-c2ccccc2F)n1 812245100 PHDFZCGIMRYYFM-HJWRWDBZSA-N 324.380 4.549 30 20 DJED CC(=NN=C(c1ccccc1)c1ccccc1)c1csc(C)n1 812378107 YDJVXPLSJRYUFS-UHFFFAOYSA-N 319.433 4.713 30 20 DJED N#CCOc1ccc(CNCc2ccc(C3CCCC3)cc2)cc1 812755220 OWSHZPKFMYTSEX-UHFFFAOYSA-N 320.436 4.536 30 20 DJED CCSc1ccccc1OC(=O)CC1(C#N)CCCCC1 850847931 QBLJAKMDFRTNJN-UHFFFAOYSA-N 303.427 4.568 30 20 DJED N#CCCn1cc(C=NNc2ccc(Cl)cc2)c2ccccc21 916246731 KLIPVDFXEVNWES-UHFFFAOYSA-N 322.799 4.654 30 20 DJED CCC1CC(=O)C(=CNc2ccc(-c3ccccc3)cc2)C(=O)C1 920974114 AVGQOILATHGNEZ-UHFFFAOYSA-N 319.404 4.608 30 20 DJED Fc1c(Cl)cccc1NN=Cc1ccccc1OC(F)F 921137969 WXHXFRTWPMOOQQ-UHFFFAOYSA-N 314.694 4.527 30 20 DJED COc1c(Cl)cc(Cl)cc1/C=C/C(=O)c1ccc(O)cc1 921261443 PMAQVUHICPVNMR-QPJJXVBHSA-N 323.175 4.604 30 20 DJED COc1cc(/C=C2\C(=O)c3ccsc3S[C@H]2C)ccc1F 1116374424 ZRERDFPZHCLKSY-PPLKPFPSSA-N 320.410 4.656 30 20 DJED C=C(CC)C(=O)N(C)[C@H](C)c1sc(-c2ccccc2)nc1C 1123663841 VYKYIRWLUUSGRC-CQSZACIVSA-N 314.454 4.604 30 20 DJED Cc1ccc(CN(CC(C)C)c2cccc(F)c2C#N)c(C)c1 1186792764 UZGTUOLNRLCPPY-UHFFFAOYSA-N 310.416 4.977 30 20 DJED CC[C@H](NCc1ccc(C#N)cc1Cl)c1ccc(F)cc1 1255498566 QEFZCVVHDFZTMK-KRWDZBQOSA-N 302.780 4.592 30 20 DJED Cc1cc(C)c(/C=C/CNC2(c3cccc(C#N)c3)CC2)c(C)c1 1308401396 NFMPUERKWPVLTC-VMPITWQZSA-N 316.448 4.776 30 20 DJED Cc1ccc(-c2ncc(/C=C/c3cc(C#N)ccn3)s2)cc1 1322820044 NGPLAEHDVHMOFU-VOTSOKGWSA-N 303.390 4.556 30 20 DJED Cc1ccc2[nH]c(C(=O)OCC(C)(C)CCC#N)c(Cl)c2c1 1345729328 HCAFQIVTZYKVGG-UHFFFAOYSA-N 318.804 4.617 30 20 DJED CC(C)c1ccc2c(c1)CCCN2C(=O)CC1(C#N)CCCCC1 1354572751 VFZCBWJUNOYSFW-UHFFFAOYSA-N 324.468 4.953 30 20 DJED CC(C)Cc1cccc([C@H](C)C(=O)N(C)c2ccccc2C#N)c1 1356249409 NJBZJVIORAAYRJ-INIZCTEOSA-N 320.436 4.523 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@H]1CNCc1ccc(C#N)cc1F 1461131315 OKAIIVJKAKCLGK-DOTOQJQBSA-N 302.437 4.639 30 20 DJED C[C@@H]1CCCC[C@H]1CCNc1ccc(C#N)c(Br)c1 1559107181 SZLXZBRSMZIXJH-OLZOCXBDSA-N 321.262 4.949 30 20 DJED Cc1ccc(C[C@H](C#N)S[C@H]2CCOc3ccccc32)cc1 1559385282 JJRICUMJLDWHQU-APWZRJJASA-N 309.434 4.687 30 20 DJED Cc1cc(C#N)cc(NC(=O)N2CCC(CCC(C)C)CC2)c1 1562939885 ZDOSVHNVTFLBTK-UHFFFAOYSA-N 313.445 4.547 30 20 DJED CC(C)[C@H]1CC[C@H](C(=O)Nc2ccc(Cl)cc2C#N)CC1 1617557179 QBEWWCNEDFDSJN-JOCQHMNTSA-N 304.821 4.613 30 20 DJED Cc1cc(C#N)nc(N[C@H](c2ccc(CC(C)C)cc2)C(C)C)n1 1639204897 XDMVPQZSRSMJQM-IBGZPJMESA-N 322.456 4.664 30 20 DJED CCC(C)(C)c1ccc(Nc2c(C#N)nnc3ccccc23)cc1 1642661331 ONCVWVQKGGBVQI-UHFFFAOYSA-N 316.408 4.933 30 20 DJED Cc1cc(Nc2cccc(CCC(F)(F)F)c2)ncc1C#N 1650858495 AAZAXKLRVPKDDS-UHFFFAOYSA-N 305.303 4.500 30 20 DJED CN(c1ccc(C#N)c(Br)c1)C1CCCCCCC1 1651478149 VXFHPWNYOWLDET-UHFFFAOYSA-N 321.262 4.870 30 20 DJED COCc1cccc(CSc2ccc(Cl)cc2C#N)c1 1656332241 USCYRMZDRRVUQY-UHFFFAOYSA-N 303.814 4.650 30 20 DJED CCCC[C@@H](C)N(CCCC)C(=O)Nc1ccc(CC#N)cc1 1666432576 WSLLYJQVXLSKFB-MRXNPFEDSA-N 315.461 4.965 30 20 DJED O=C(O)c1cccc(NN=Cc2cc(-c3ccccc3)cs2)c1 1776036802 VZPXQPCYATUEHH-UHFFFAOYSA-N 322.389 4.559 30 20 DJED Cc1ccc(N[C@H](C)c2cccc(C#N)c2)c(Br)c1 37189074 HVFQQLLZAQWOOS-GFCCVEGCSA-N 315.214 4.802 30 20 DJED C[C@@H](Cc1cccs1)Nc1ccc(C#N)c(C(F)(F)F)c1 71271745 CLWYUWCGVZIEEK-JTQLQIEISA-N 310.344 4.682 30 20 DJED CC(C(=O)Nc1ccccc1SC[C@@H](C)C#N)=C1CCCC1 176628870 FJWOZURBKCFVPE-ZDUSSCGKSA-N 314.454 4.767 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1sccc1-c1ccccc1 178631878 ZFGDORDCXLVNOP-UHFFFAOYSA-N 318.401 4.848 30 20 DJED CCCCCCCCC(=O)N1C[C@H](C)C[C@@H]1c1cccnc1 182163536 SDJNHOPIYYWLMR-SJLPKXTDSA-N 302.462 4.742 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@@H]2CCSc3ccc(Cl)cc32)C1 248740905 FBRGAZSEWFZLPB-OSAQELSMSA-N 306.862 4.549 30 20 DJED COc1ccc([C@@H](C)N[C@H](CCC#N)c2ccccc2)cc1C 273001060 XQZFRUAFKUQNNI-VQIMIIECSA-N 308.425 4.699 30 20 DJED N#Cc1ccc([N+](=O)[O-])c(Oc2cc(Cl)ccc2Cl)c1 302190513 BCAPQAVZKLDRBA-UHFFFAOYSA-N 309.108 4.566 30 20 DJED N#CC1CCC(C/N=C(/O)[C@H]2CCSc3ccccc32)CC1 328731315 WXINKFIAIWDBGP-XUJLQICISA-N 314.454 4.552 30 20 DJED CC(C)c1cccc2c1OCCC[C@H]2NCC(C)(C)CCC#N 348233948 WKXATHSVXDQTLM-GOSISDBHSA-N 314.473 4.943 30 20 DJED N#CC1(CC[S@@](=O)Cc2sccc2Cl)CCCCC1 417193520 OTTCHOIJSYQFIT-LJQANCHMSA-N 315.891 4.514 30 20 DJED N#CCC[C@H](NCCSCc1ccccc1)c1ccccc1 430776295 OUKNYARMIYHFHJ-IBGZPJMESA-N 310.466 4.554 30 20 DJED CCn1c(SCCCCC(C)(C)C#N)nc2ccccc21 436142700 RKPHGCSQWQUBTN-UHFFFAOYSA-N 301.459 4.868 30 20 DJED C=CCc1cc(-c2nc3cc(F)ccc3s2)cc(OC)c1O 436937596 QOCYPYFSJYNCPK-UHFFFAOYSA-N 315.369 4.545 30 20 DJED N#C[C@@H]1CC[C@@H](NCC2(c3ccc(F)cc3Cl)CCCC2)C1 442847435 CJUNURZHBFPDHO-UKRRQHHQSA-N 320.839 4.573 30 20 DJED CCC1(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CCCCC1 461094698 MZEYAACNZNGGLJ-UHFFFAOYSA-N 322.452 4.534 30 20 DJED CCCC1(C(=O)Nc2ccccc2SC[C@H](C)C#N)CCC1 469480505 VQRGOUQFUDEPDO-CQSZACIVSA-N 316.470 4.847 30 20 DJED Cc1nc(N[C@H](c2ccccc2)c2ccc(F)cc2)ccc1C#N 488057375 MORWAOUPRQACCP-HXUWFJFHSA-N 317.367 4.602 30 20 DJED COc1ccccc1[C@@H](CC(C)C)NCc1ccc(C#N)c(C)c1 488152227 QENWQJMKXPKLFQ-HXUWFJFHSA-N 322.452 4.752 30 20 DJED CC(C)(C)[C@@](C)(C#N)NC(=O)c1cccc(Oc2ccccc2)c1 499489917 ZLKXZPXVDMDAGA-HXUWFJFHSA-N 322.408 4.537 30 20 DJED N#Cc1cccnc1N[C@H](c1ccc(Cl)cc1)C1CCCC1 511374542 AIUZCUAHKFSCIG-KRWDZBQOSA-N 311.816 4.950 30 20 DJED C=CC1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 520327941 ANLRNCOISMJEHO-UHFFFAOYSA-N 315.800 4.638 30 20 DJED CC(C)(C#N)CCN[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 527328928 COUKZNNRGYQYKL-HOTGVXAUSA-N 324.390 4.871 30 20 DJED C=C(C)[C@@H](CC(=O)N1CCCCC[C@H]1c1ccccc1)OCC 534425783 QMDPWYOXBPGPBE-RBUKOAKNSA-N 315.457 4.502 30 20 DJED C[C@@](C#N)(NC(=O)c1cccc(-c2ccoc2)c1)C1CCCCC1 556303408 FMRRLQHQYRHCAD-FQEVSTJZSA-N 322.408 4.539 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)NC1(CF)CCC1 571639281 ULGNDUPCSIIHKE-UHFFFAOYSA-N 304.409 4.552 30 20 DJED N#C[C@@]1(C(=O)Nc2cccc(-c3cccs3)c2)CC12CCCC2 590628522 YRMRZRDQYMSDFN-LJQANCHMSA-N 322.433 4.828 30 20 DJED C[C@H](N[C@H](C)c1cc2c(s1)CCCC2)c1cccc(C#N)c1 610829836 NXYZSJZTXXJGET-UONOGXRCSA-N 310.466 4.910 30 20 DJED CCC(=NNc1ncccc1Cl)c1cc(Cl)ccc1OC 736430014 LZHDMCIBODFBDO-UHFFFAOYSA-N 324.211 4.623 30 20 DJED O=C(/C=C\c1cc(F)ccc1F)c1ccc(-c2ccncc2)cc1 745989907 GJHWGKJXTOKHNL-YVMONPNESA-N 321.326 4.923 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1cccc(Cl)c1F 759652880 LRVATVUWKQSFKU-HJWRWDBZSA-N 320.795 4.769 30 20 DJED CCCn1nc(C)c(/C=C\C(=O)c2ccc(F)c(Cl)c2)c1C 759653581 RUXRJTDZQVCXMD-VURMDHGXSA-N 320.795 4.599 30 20 DJED O=C(/C=C\c1ccc(Cl)nc1Cl)c1cccc(F)c1F 761479741 MYYXHHQSIRVXNE-XQRVVYSFSA-N 314.118 4.563 30 20 DJED C=CC[C@H](N[C@H](C)c1ccccc1OC(F)F)c1ccncc1 766019346 LVIPDSFATPECJK-CJNGLKHVSA-N 318.367 4.651 30 20 DJED CC[C@H](Cc1ccccc1)C(=O)OCCCCC(C)(C)C#N 768693090 NDQFJRLBQJINKX-QGZVFWFLSA-N 301.430 4.519 30 20 DJED C=CCN(Cc1cccc(C#N)c1)C(=O)C=C(CCC)CCC 770716824 UEEQJKGVJZORII-UHFFFAOYSA-N 310.441 4.599 30 20 DJED CCCCCCCCCCC(=O)N1CCC[C@H]1c1ncc[nH]1 777454111 IFVVBJJDDRNSIM-INIZCTEOSA-N 305.466 4.604 30 20 DJED C#CCCCCCC(=O)N(CCC)[C@@H](C)c1ccccc1OC 779820328 HIAPHLXUCXFMIW-KRWDZBQOSA-N 315.457 4.579 30 20 DJED CCCCCCCCCC(=O)Nc1cnn(C)c1C(F)(F)F 782825165 PJVRIDUEPHNPIG-UHFFFAOYSA-N 319.371 4.518 30 20 DJED CCc1ccc(C(=O)/C=C/c2cccc(C(=O)O)c2Cl)s1 787166819 BOHCBEFQRHKCLP-SOFGYWHQSA-N 320.797 4.558 30 20 DJED C=CCCCCC[C@H](C)Nc1cccc2c1CCN2C(C)=O 793554025 PJCVBTXYQVBRLZ-HNNXBMFYSA-N 300.446 4.533 30 20 DJED CC(C)n1nccc1/C=C1\Cc2cc(Cl)cc(Cl)c2C1=O 794941237 LKUVEZWTKWXUBU-YRNVUSSQSA-N 321.207 4.593 30 20 DJED CC(=NNc1cc(Cl)ccc1Cl)c1coc(C(C)C)n1 799482781 XLGBSEWYMSOILG-UHFFFAOYSA-N 312.200 4.941 30 20 DJED C=CCCCCCCNC(=O)[C@@H]1CCSc2ccccc21 805219018 RYXGVJZQQMEKDS-MRXNPFEDSA-N 303.471 4.519 30 20 DJED CC(C)(C#N)[C@@H]1CCCC1=NNc1ccccc1Br 814791231 CKEQUORANICWQK-LLVKDONJSA-N 320.234 4.567 30 20 DJED C[C@@H](CCC(=O)[C@H](C#N)c1nc(C2CC2)cs1)c1ccccc1 842940980 MBNJFBRMKRUWEO-BBRMVZONSA-N 324.449 4.781 30 20 DJED N#CCCCCOC(=O)c1ccc(-c2ccc(Cl)cc2)s1 914621395 HKJHRSVIJJNFHB-UHFFFAOYSA-N 319.813 4.919 30 20 DJED Cc1cc(/C=C/C(=O)c2c(C)[nH]c3ccccc23)cc(C)c1O 915115034 TZECIHXCONWQMF-CMDGGOBGSA-N 305.377 4.695 30 20 DJED CCc1cccc2c(/C=C\C(=O)c3ccc([N+](=O)[O-])cc3)c[nH]c12 916134891 TYYKCNSKMOMFII-FLIBITNWSA-N 320.348 4.535 30 20 DJED N#Cc1sccc1C(=O)NCc1ccc(C2CCCCC2)cc1 1129180808 MXEIDEBGLPQBIX-UHFFFAOYSA-N 324.449 4.597 30 20 DJED CCCCN(CCc1ccc(C#N)cc1)[C@H](C)c1ccccc1 1167472761 CPUOFTJTESZJAO-GOSISDBHSA-N 306.453 4.964 30 20 DJED N#CC[C@@H]1CCCN(Cc2cccc(Oc3ccc(F)cc3)c2)C1 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FZFGCCVXWGSKQM-DAXSKMNVSA-N 320.344 4.644 30 20 DJED C[C@@H]1CCC[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)C1 76837847 LYSZYMYYPJURGF-VNQPRFMTSA-N 324.449 4.813 30 20 DJED Cc1cc([C@@H](C)Nc2ccc(Br)cc2C#N)c(C)o1 96731074 ASGQFYFFPBNXHB-SNVBAGLBSA-N 319.202 4.704 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 131861751 HNNKIORWMSMFDH-AWEZNQCLSA-N 314.454 4.645 30 20 DJED N#CCCCCN[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F 153567789 QLOWCMGRKIDIPX-HOCLYGCPSA-N 310.363 4.625 30 20 DJED C=CCCCC(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 178500711 YJMIMZRPABWRFD-UHFFFAOYSA-N 320.436 4.596 30 20 DJED CC[C@@H](N[C@@H]1CCSc2ccccc21)c1ccc(C#N)cc1 278255857 MZXPFPRIMGNNGF-QZTJIDSGSA-N 308.450 4.836 30 20 DJED Cc1cccc(C(C)C)c1NC(=O)CSc1ccc(C#N)cc1 298698465 NDYDOSPGXAXAEV-UHFFFAOYSA-N 324.449 4.721 30 20 DJED C#Cc1cccc(N(C)Cc2coc(-c3cccc(Cl)c3)n2)c1 303146284 DTAKRTFCIIVHHI-UHFFFAOYSA-N 322.795 4.613 30 20 DJED N#CCOc1cccc(NCc2cc(-c3ccccc3)cs2)c1 321639322 PFMZPLSGLPIZBV-UHFFFAOYSA-N 320.417 4.930 30 20 DJED CC1(C)CCCC[C@H]1CC(O)=Nc1cccc2c1CN=C2O 329298698 UMSNDQLQEYFSFH-LBPRGKRZSA-N 300.402 4.699 30 20 DJED C[C@H](CC1CCCC1)/C(O)=N/Cc1nnc(C(C)(C)C)s1 329823789 ZRYCEEBGEJOHKM-LLVKDONJSA-N 309.479 4.509 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(F)c(Cl)c1 341696358 FBGLQROMENDSHS-GOSISDBHSA-N 314.791 4.518 30 20 DJED Cc1nc(SCCCC#N)n([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 351868978 ORSPRBKLYCKJAE-QZWWFDLISA-N 317.502 4.893 30 20 DJED Cc1nc(S[C@@H]2CC[C@H](C#N)C2)n(C2CCCCC2)c1C 430093041 DRTPFIXDOWYOIB-GOEBONIOSA-N 303.475 4.790 30 20 DJED C=CCC[C@H](NCc1cccc(NC(=O)CC(C)C)c1)C1CC1 439078768 OYSAXXBRMMRXDK-IBGZPJMESA-N 314.473 4.506 30 20 DJED C[C@H](N[C@H]1CCC[C@H](C#N)C1)C(c1ccccc1)c1ccccc1 447538122 ALSDETQARZROAQ-WFXMLNOXSA-N 318.464 4.879 30 20 DJED C=CCCO[C@@H](C)c1nc(-c2cccc(C(C)(F)F)c2)no1 453339698 BPSFUSKVQIQGCZ-NSHDSACASA-N 308.328 4.502 30 20 DJED CCC[C@H]1CCc2ccccc2N1C(=O)c1cccc(CC#N)c1 471256091 AQAZGJAIYAPNPJ-IBGZPJMESA-N 318.420 4.514 30 20 DJED Cc1nc(Nc2cccc(CCC(F)(F)F)c2)ccc1C#N 488075970 LQPHFEHKPOPYAO-UHFFFAOYSA-N 305.303 4.500 30 20 DJED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](CC)CC1CCCC1 510772359 HGPKWXMCDCPPMR-FQEVSTJZSA-N 324.468 4.679 30 20 DJED C[C@@H]1CCC[C@@H](c2noc(C[C@H](CC#N)c3ccccc3)n2)C1 516892386 JGACKXIZZGSJET-HYVNUMGLSA-N 309.413 4.603 30 20 DJED Cc1cccc(C2(NCc3ccc(C#N)cc3F)CCCC2)c1 532567277 HYNUJVSDNYLWLC-UHFFFAOYSA-N 308.400 4.565 30 20 DJED C=C[C@H](CC(=O)N[C@H]1CCC[C@@H]1c1ccccc1)c1ccccc1 534677705 OAYMEZUICZYTPT-UIFIKXQLSA-N 319.448 4.799 30 20 DJED Cc1ncc(-c2ccccc2)cc1NCc1cc(C#N)cs1 535531863 CDAIRFQPHBDOAY-UHFFFAOYSA-N 305.406 4.602 30 20 DJED C=CCN(C(=O)C[C@@H](Cc1ccccc1)c1ccccc1)C1CC1 537991024 QVTKMIDJGWKDHF-HXUWFJFHSA-N 319.448 4.580 30 20 DJED CC(C)(C)C[C@H](NCc1cc(C#N)ccc1F)c1ccccc1 539278643 UMSZPZLJLJOHBR-IBGZPJMESA-N 310.416 4.964 30 20 DJED C=CCN(Cc1ccc(Cl)s1)Cc1cccc(C#N)c1F 540298612 QXZSSVNZULJGMR-UHFFFAOYSA-N 320.820 4.600 30 20 DJED N#CCc1ccc(CNc2cccc(OC3CCCC3)c2)cc1 543164224 KDTHHAVOHVVZPS-UHFFFAOYSA-N 306.409 4.686 30 20 DJED C[C@@H](SCC1(C#N)CCC1)C(=O)Nc1cccc2ccccc12 563622961 RVHJVWKJFROSJD-CQSZACIVSA-N 324.449 4.594 30 20 DJED CC[C@@H](C)Oc1cccc(N[C@@H]2CCc3ccc(C#N)cc32)c1 568045126 NNIUROPRPUUBSY-JLTOFOAXSA-N 306.409 4.835 30 20 DJED N#CCc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C2CC2)c(Cl)c1 583085863 QGGMVSRUKXJIMX-LSDHHAIUSA-N 316.832 4.561 30 20 DJED C=CCOc1ccc(CN[C@@H](C)c2ccc3ccccc3n2)cc1 584297412 IVTPTEAPJPFBFC-INIZCTEOSA-N 318.420 4.650 30 20 DJED N#Cc1ccc(N2CCC(Nc3ccc(C4CC4)cc3)CC2)cc1 586792453 GGDCBOKFJVOCNW-UHFFFAOYSA-N 317.436 4.517 30 20 DJED C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CCCCCC#N 588632079 QUEJEMGUUGRGGP-CABCVRRESA-N 320.864 4.764 30 20 DJED Cc1cccc(-c2cnc(NC(=O)CCCCCC#N)s2)c1 588775550 OOHQSGDWGLQRTO-UHFFFAOYSA-N 313.426 4.531 30 20 DJED CC[C@@](C)(C#N)c1nc(-c2cc3cc(Cl)cc(C)c3o2)no1 589150490 LUPOIAJEUFPSGY-INIZCTEOSA-N 315.760 4.636 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1CCC=CCC1 602097440 OCHMNKNWQGOKLU-AWEZNQCLSA-N 314.454 4.766 30 20 DJED C[C@@]1(C#N)CCCN(C(=O)Nc2ccccc2-c2ccccc2)C1 612292418 WTTNFNZTQAXYGB-FQEVSTJZSA-N 319.408 4.511 30 20 DJED CC[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)cc1 618807678 VTUVHBANHVHRLO-OALUTQOASA-N 310.828 4.940 30 20 DJED O=C1/C(=C/c2cccnc2Cl)CSc2c(Cl)cccc21 731938834 JEQCKHKOBDVMMY-JXMROGBWSA-N 322.216 4.760 30 20 DJED CC(C)[C@H]1CC[C@H](C(=O)[C@H](C#N)c2ccc3ccccc3n2)CC1 753539128 WYXDSNBGPGUFRJ-KBAYOESNSA-N 320.436 4.873 30 20 DJED Cc1ccnc(NN=CC(c2ccccc2)c2ccccc2)c1 755900750 OWEMQMPURDZLQX-UHFFFAOYSA-N 301.393 4.620 30 20 DJED O=C(/C=C\c1nc2ccc(F)cc2s1)c1ccc(F)cc1F 761479367 UNQAWOCDPWCPBK-WAYWQWQTSA-N 319.307 4.610 30 20 DJED COc1ccsc1/C=C/C(=O)c1ccc(SC)c(F)c1 764433150 CVWDXEYTBTYQAL-GQCTYLIASA-N 308.399 4.514 30 20 DJED C=C(C)[C@@H](N[C@H](C)c1cccnc1Cl)c1ccc(F)c(F)c1 775557194 GSMSBQSTGGQLKS-BDJLRTHQSA-N 322.786 4.981 30 20 DJED C=CC[C@H](N[C@H](C)c1cc2cccc(OC)c2o1)c1ccncc1 776159600 YCVGHNZHUJTTHB-PBHICJAKSA-N 322.408 4.804 30 20 DJED CC(C)(C#N)CCCOC(=O)c1cc(C2CC2)nc2ccccc12 782521576 MWHUSUJYAGJBAS-UHFFFAOYSA-N 322.408 4.599 30 20 DJED O=C(/C=C/c1cnc(-c2ccc(Cl)cc2)s1)c1ccco1 789143744 RMQAIPDFBWEFFW-BQYQJAHWSA-N 315.781 4.953 30 20 DJED N#Cc1ccc(NN=C2CCC[C@H]2CCF)cc1C(F)(F)F 794905444 HXWWVPGOMRZTKL-JTQLQIEISA-N 313.298 4.505 30 20 DJED CCOc1cc(/C=C\C(=O)c2cc(C)c(C)o2)cc(Cl)c1O 799897961 ULBJTNUEGYNRSG-WAYWQWQTSA-N 320.772 4.550 30 20 DJED C#C[C@@H](NCc1cc2ccccc2o1)c1ccc(Cl)cc1F 809700101 XMFJKOLAWNESDF-QGZVFWFLSA-N 313.759 4.689 30 20 DJED O=C1/C(=C/c2cscc2C(F)(F)F)Cc2ccc(F)cc21 811690609 CRAQXQWVNVEOLB-RUDMXATFSA-N 312.287 4.728 30 20 DJED CCCCCCCCCNC(=O)c1c(Cl)cncc1Cl 814278572 WLLOYNMTHKMANB-UHFFFAOYSA-N 317.260 4.869 30 20 DJED CC1(C)CC=C(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)CC1 835388287 QWNQJLSGVAVVGJ-ZDUSSCGKSA-N 316.470 4.753 30 20 DJED Clc1ccc(C=NNc2cccc(Br)c2)s1 839411977 UVWXJFUCSZHOHN-UHFFFAOYSA-N 315.623 4.610 30 20 DJED C=CCCc1ccccc1NC(=O)CCC[C@H](O)c1ccccc1 854344070 OZHWKVLTVBUDTC-FQEVSTJZSA-N 323.436 4.648 30 20 DJED CO[C@@H]1CCCCC1=NNc1cc(C)c2cc(Cl)ccc2n1 915955997 MVBWZVKWFSJPGY-MRXNPFEDSA-N 317.820 4.554 30 20 DJED CCCOc1ccc2c(c1)C(=O)/C(=C\c1sccc1C)CO2 920069218 JQEQRBUPBLMNRH-LCYFTJDESA-N 314.406 4.504 30 20 DJED N#Cc1cc(NC(=O)c2ccc(-c3ccccc3)s2)ccc1F 1115974330 KMNRABVZXVSMNR-UHFFFAOYSA-N 322.364 4.678 30 20 DJED CC(C)CCc1ccc(NC(=O)c2cc(C#N)ccc2F)cc1 1125579317 OKMYZEPQWDLMHI-UHFFFAOYSA-N 310.372 4.538 30 20 DJED CCN(Cc1ccc(Cl)cc1F)[C@@H](C)c1ccc(C#N)cc1 1167129715 BFLILJOLXCLEBC-ZDUSSCGKSA-N 316.807 4.934 30 20 DJED CCCN(Cc1ccc(C#N)cc1C)[C@H]1CCc2ccccc2C1 1167162853 CJNPGYWRIHZINX-QFIPXVFZSA-N 318.464 4.636 30 20 DJED CCCOc1cccc(CSc2nc(C)cc(C)c2C#N)c1 1188084236 LTVMUNNICIPUMM-UHFFFAOYSA-N 312.438 4.651 30 20 DJED CC[C@@H](c1ccccc1)N(C(=O)c1cc(C#N)ccc1F)C(C)C 1280385887 ISNWLUNXPNHYSW-IBGZPJMESA-N 324.399 4.699 30 20 DJED Cc1ccc2ncc(C#N)c(OCc3ccc(Cl)s3)c2c1 1307348120 HEONCIWECHOLJT-UHFFFAOYSA-N 314.797 4.709 30 20 DJED CCN(Cc1ccccc1C(C)(C)C#N)c1ccc(F)c(C)c1 1308056059 GZWJOCGSCPTYLJ-UHFFFAOYSA-N 310.416 4.962 30 20 DJED CN(C(=O)Nc1ccc(C#N)cc1)c1ccc(C(C)(C)C)cc1 1309984227 ADMPYYCUZFTAAP-UHFFFAOYSA-N 307.397 4.524 30 20 DJED C=C(Cl)CNC(=O)Nc1ccc(-c2ccccc2)c(C)c1 1310514912 XFDZQKTVSFVKFF-UHFFFAOYSA-N 300.789 4.536 30 20 DJED CC[C@H](Cc1ccccc1C)C(=O)O[C@@H](C)c1cccc(C#N)c1 1457759485 HDMNPFUYHUUGHX-FUHWJXTLSA-N 321.420 4.740 30 20 DJED CCc1ccc(CCSc2nc3c(c(C)c2C#N)CCC3)cc1 1458864119 PVVOQLJHQMRRCM-UHFFFAOYSA-N 322.477 4.648 30 20 DJED C[C@@H](CCC#N)CN(Cc1ccccc1C(F)(F)F)CC1CC1 1474517431 PUZWZAZFRPPMMF-AWEZNQCLSA-N 324.390 4.857 30 20 DJED COc1ccc([C@H](C)S[C@@H](C#N)Cc2ccc(C)cc2)cc1 1559364838 OCFYYYVATMZZRJ-HNAYVOBHSA-N 311.450 4.933 30 20 DJED C[C@@H]1CCCC[C@@H]1NC(=O)Nc1scc(C(C)(C)C)c1C#N 1562851469 YGNLKGOKASZNJQ-RISCZKNCSA-N 319.474 4.617 30 20 DJED Cc1cc(C)c(/C=C\CNC2(c3cccc(C#N)c3)CC2)cc1C 1620933437 SIPRTSZQLOENAU-ALCCZGGFSA-N 316.448 4.776 30 20 DJED Cc1cc(N2CCC[C@@H]2c2ccc(C(C)C)cc2)ncc1C#N 1639737866 JQVFTVXXYZAKQH-LJQANCHMSA-N 305.425 4.727 30 20 DJED COc1ccc(Cl)cc1[C@@H](CC(C)C)NCC1(CC#N)CC1 1645072218 IAGDSYLXXNDSRI-MRXNPFEDSA-N 320.864 4.719 30 20 DJED CCCc1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)s1 1651894786 UWJWMFVODSRHNV-UHFFFAOYSA-N 322.477 4.862 30 20 DJED C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1Cc1ccc(Cl)cc1C#N 1654572070 CUTHWWOUODJFQX-SIFCLUCFSA-N 324.855 4.978 30 20 DJED CC(C)(C)[C@H]1CCCC(=NNc2ccc(CC(=O)O)cc2)CC1 1776084861 UBHBKCOGWCBEIT-HNNXBMFYSA-N 316.445 4.708 30 20 DJED CC[C@@H](C)c1ccc(/C=C/C(=O)c2ccc(C(=O)O)s2)cc1 1776698600 NFHMYRKRNDTWRN-UVMWJGKXSA-N 314.406 4.856 30 20 DJED C=CCN(Cc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1 71873673 DXPNFTVMUBXJNH-UHFFFAOYSA-N 319.326 4.534 30 20 DJED C[C@@H](NCc1cc(Cl)ccc1Cl)c1ccc(C#N)cc1 87758763 HEKBNUUCABSCPO-LLVKDONJSA-N 305.208 4.716 30 20 DJED N#Cc1csc(CNc2ccccc2CCC(F)(F)F)c1 153770897 GNNTURQZBDUNBM-UHFFFAOYSA-N 310.344 4.727 30 20 DJED N#Cc1cc(CSc2cccc(Br)c2)ccc1F 236151613 FOWRJJNQNCENSJ-UHFFFAOYSA-N 322.202 4.752 30 20 DJED CSc1cccc(N[C@@H](C)c2ccc(OCC#N)cc2)c1C 272038223 PWVXOJDNBXHBKH-AWEZNQCLSA-N 312.438 4.792 30 20 DJED N#Cc1ccc(Oc2ccc(Oc3cncc(Cl)n3)cc2)cc1 302863835 SGPHJDBUMMYUCS-UHFFFAOYSA-N 323.739 4.586 30 20 DJED CCn1c(S[C@@H](C)c2ccc(C#N)cc2)nc2ccccc21 303722060 RXOAJQMFJZDGLK-ZDUSSCGKSA-N 307.422 4.781 30 20 DJED O/C(=N/Cc1nc2ccccc2o1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 329101614 NBOGEPIKTGPKLA-SOUVJXGZSA-N 312.413 4.891 30 20 DJED C=CCC1(C(=O)Nc2ccc3nc(C(F)F)sc3c2)CCC1 343502292 XJETXKHGULPMQR-UHFFFAOYSA-N 322.380 4.919 30 20 DJED C[C@@H](SCc1ccc(-n2ccnc2)cc1)c1cccc(C#N)c1 359064958 GOEIUCZJLQROBR-OAHLLOKOSA-N 319.433 4.738 30 20 DJED N#CC1(CCCN2CCCC3(CCCCCC3)C2)CCOCC1 410389310 DPRBFKZLUCTWHX-UHFFFAOYSA-N 318.505 4.523 30 20 DJED COc1cc(Cl)ccc1[C@H](C)N[C@H](C)c1ccc(C#N)cc1 421824968 LDTIEVNQQJPAAF-OLZOCXBDSA-N 314.816 4.632 30 20 DJED CCN(Cc1oc(C(C)C)nc1C)[C@@H](C)c1ccc(C#N)cc1 428441131 GVGJJNBKHNJQMV-HNNXBMFYSA-N 311.429 4.561 30 20 DJED C[C@H](Cc1ccc(Cl)cc1Cl)N[C@H]1CCC[C@H](C#N)C1 463288134 LTQGTXQRZBULSQ-XUJVJEKNSA-N 311.256 4.596 30 20 DJED C=CC[C@@H]1N(C(=O)C[C@@H](CC#N)c2ccccc2)CCCC1(C)C 477117387 DBMURXOCJMUEPH-MOPGFXCFSA-N 324.468 4.667 30 20 DJED COc1ccc([C@@H](CCC(C)C)NCc2cccc(C#N)c2)cc1 480798065 SGHKXQXNKCFZGU-OAQYLSRUSA-N 322.452 4.834 30 20 DJED C=C(C)CCc1noc([C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)n1 508597160 WFNFPQHALRXLTB-KBPBESRZSA-N 322.330 4.868 30 20 DJED C=CC[C@H](C)NC(=O)c1ccc(-c2ccc(Cl)cc2)s1 522636807 RWICBNZCSHPVNX-NSHDSACASA-N 305.830 4.763 30 20 DJED C=C[C@H](CC(=O)NC[C@@H](CC)c1ccccc1)c1ccccc1 533917916 LOGMTQUALQHNID-QZTJIDSGSA-N 307.437 4.656 30 20 DJED CC(=O)c1ccc(C#N)c(NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 542506713 JWWXMQAAEKSAFR-IUODEOHRSA-N 324.346 4.541 30 20 DJED CC[C@H](NCc1ccc(F)cc1C#N)c1ccc(Cl)s1 542557738 VOSSCSPERKAOFL-ZDUSSCGKSA-N 308.809 4.653 30 20 DJED C=CCC(CC=C)C(=O)Nc1sc(-c2ccccc2)nc1C 543137892 VSGQUQCKXJQXOY-UHFFFAOYSA-N 312.438 4.825 30 20 DJED Cc1cccc(CSc2nc(-c3ccccc3)ccc2C#N)n1 561848447 HIWGMJJMDOIOKN-UHFFFAOYSA-N 317.417 4.616 30 20 DJED C=CCN(Cc1cccs1)C(=O)[C@H](CC)Cc1ccccc1 601938888 KZSSCJKMOYUVHN-QGZVFWFLSA-N 313.466 4.532 30 20 DJED CCCCN(Cc1cc(C#N)ccc1F)[C@@H](C)c1ccc(C)o1 604493549 GDNVMJSKYQGOKC-HNNXBMFYSA-N 314.404 4.962 30 20 DJED C=CCCCCCN(C)C(=O)CCC(=O)c1ccc(Cl)cc1 606881609 VEZKPVMEJTYJDB-UHFFFAOYSA-N 321.848 4.508 30 20 DJED C[C@@H]1CCc2c(sc(NC(=O)CCC(C)(C)C)c2C#N)C1 609965982 ZEUACXVYQJVMAC-LLVKDONJSA-N 304.459 4.509 30 20 DJED COc1cccc2cc([C@H](C)N[C@@H](C)c3cccc(C#N)c3)oc12 611438529 MQRJCSFYLZIYCZ-KBPBESRZSA-N 320.392 4.725 30 20 DJED C[C@H](NC[C@@H]1CCCC[C@H]1C(F)(F)F)c1cccc(C#N)c1 611438807 WBZAZNKBJBSPEM-VBNZEHGJSA-N 310.363 4.578 30 20 DJED N#CCC1CCN(Cc2ccc(Oc3ccccc3)c(F)c2)CC1 611686915 XAVLNTBASIBMOJ-UHFFFAOYSA-N 324.399 4.744 30 20 DJED CC(=NNc1ccc(F)cn1)c1ccc(-c2ccccc2)cc1 731321438 IMOOKIOZSMJETE-UHFFFAOYSA-N 305.356 4.724 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C/c3ccc(Cl)s3)c2c1 734308376 ZUCDAKWBECRVLA-ZZXKWVIFSA-N 317.797 4.788 30 20 DJED Cc1cc(C=NN[C@@H](C)c2ccccc2)c(OC(F)F)cc1C 743435770 MVUVGQYOIDWHNX-AWEZNQCLSA-N 318.367 4.590 30 20 DJED CC(=NNc1cccc(Cl)c1F)c1csc(C(C)C)n1 768766647 BGWXTSLSYGVHCY-UHFFFAOYSA-N 311.813 4.895 30 20 DJED CC(C)(C#N)CCCOC(=O)C1(c2ccccc2F)CCCC1 782036005 NXRVZNMDMIJETN-UHFFFAOYSA-N 317.404 4.511 30 20 DJED CCC/C=C/C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782829165 OBUFZTOWRQSAOV-RDTXFTJFSA-N 318.420 4.759 30 20 DJED Cc1ccc(-c2ccc(/C=C\C(=O)c3ccnc(F)c3)o2)cc1 794719350 JISWGNRLIKDWJH-VURMDHGXSA-N 307.324 4.685 30 20 DJED COc1ccc(C(=O)/C=C/c2ccc(C(F)F)cc2)c(OC)c1 794925631 BFTYNWFZPMAPPQ-BJMVGYQFSA-N 318.319 4.538 30 20 DJED N#Cc1ccccc1C(=O)/C=C\c1ccc(F)c(C(F)(F)F)c1 799499228 ULILADXWDJCBLW-VURMDHGXSA-N 319.257 4.612 30 20 DJED COc1ccc(/C=C/C(=O)c2cccc(OC(F)F)c2)cc1C 810227828 KNCBAHGJGGVBBC-SOFGYWHQSA-N 318.319 4.501 30 20 DJED CCOC1CCC(=NNc2c(Cl)cccc2Cl)CC1 853318484 OURDFNGBXPZNEG-UHFFFAOYSA-N 301.217 4.740 30 20 DJED C#Cc1cccc(NC(=O)CCc2ccc(Cl)cc2Cl)c1 912906917 JFYVFBDVYXVWIP-UHFFFAOYSA-N 318.203 4.546 30 20 DJED CCc1c(C(=O)/C=C\c2c(C)n[nH]c2C)oc2ccc(C)cc12 915985207 KAFKCVKQEPWQJF-FPLPWBNLSA-N 308.381 4.540 30 20 DJED CCOc1ccc(/C=C2\CSc3ccc(F)cc3C2=O)cc1 916128501 HUIQRIHZWOPACT-UKTHLTGXSA-N 314.381 4.596 30 20 DJED CCCOc1c(/C=C/C(=O)c2ccccc2)cccc1OCC 916134555 YITFHNMDUWULDP-BUHFOSPRSA-N 310.393 4.770 30 20 DJED CCOc1c(Cl)cc(C=NNc2ccc(C)cc2)cc1OC 916250157 OAGOSLOMRUSHIX-UHFFFAOYSA-N 318.804 4.502 30 20 DJED CC(=NNc1cccc(C)c1)c1ccccc1Br 916255323 RLSPJTZAFMWIAI-UHFFFAOYSA-N 303.203 4.594 30 20 DJED Cc1ccc(C)c(NN=Cc2c(C)nn(-c3ccccc3)c2C)c1 916346605 KQGCXFAFXKLSFK-UHFFFAOYSA-N 318.424 4.552 30 20 DJED COc1cc(C(=O)/C=C/c2ccc(-c3ccccc3)o2)ccc1O 917516902 ICSUPIJNODUUMD-DHZHZOJOSA-N 320.344 4.557 30 20 DJED O=C1/C(=C/c2ccc(Cl)c(F)c2)CCOc2ccc(F)cc21 921265449 GGEFVBABFDJKEG-YRNVUSSQSA-N 320.722 4.667 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2sccc2-c2ccccc2)c1 1129805766 NKQLPLFHESYBPX-UHFFFAOYSA-N 318.401 4.848 30 20 DJED Cc1c(C(=O)Nc2cccc(CC#N)c2)sc2cc(F)ccc12 1156699759 LZEAORRFEABZKP-UHFFFAOYSA-N 324.380 4.667 30 20 DJED N#Cc1c(F)cccc1N1CCC[C@@H](c2ccc(F)cc2)CC1 1162916227 MTHNXBNQBIWAQD-CQSZACIVSA-N 312.363 4.611 30 20 DJED CC(C)CC[C@H]1CCC[C@H]1NCc1ccc(C#N)c(Cl)c1 1181164381 XNTLIQUDNJPTOQ-CRAIPNDOSA-N 304.865 4.906 30 20 DJED C[C@H]1N(Cc2ccc(Cl)cc2C#N)c2ccccc2C1(C)C 1196113129 AXUAQTJPQBHLNG-CYBMUJFWSA-N 310.828 4.898 30 20 DJED Cc1ccc([C@@H](C)CN[C@H]2CCCc3cc(C#N)ccc32)cc1 1206328318 JNIADYXASSBOTB-KKSFZXQISA-N 304.437 4.637 30 20 DJED C=CCCO[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 1257901887 JPPGAWJKVDGPMM-VIFPVBQESA-N 313.184 4.697 30 20 DJED Cc1cccc2cc(C(=O)O[C@H](C)c3cccc(C#N)c3)oc12 1266016560 ISBXCBOXZMKORJ-CYBMUJFWSA-N 305.333 4.531 30 20 DJED Cc1cc(N[C@@H](c2ccccc2)c2ccc(F)cc2)ncc1C#N 1306929580 AIAOJQQHTLASKH-FQEVSTJZSA-N 317.367 4.602 30 20 DJED C[C@H]1c2cc(Cl)c(Cl)cc2CCN1CC1(CC#N)CC1 1307611202 PTKJGIODDSVKSD-NSHDSACASA-N 309.240 4.606 30 20 DJED CC(C)(C)Cc1nc2cc(NCc3ccc(C#N)cc3)ccc2o1 1308309121 LATYLZNUKOMDBX-UHFFFAOYSA-N 319.408 4.900 30 20 DJED N#C[C@H]1CC[C@@H](N[C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)C1 1308830561 YQCQIXINZKLVKG-PAYONLEZSA-N 302.849 4.648 30 20 DJED CCC(CC)[C@H](NC(=O)c1ccc(C)c(C#N)c1)c1ccccc1 1353908767 WTZIRPNXSRIVND-FQEVSTJZSA-N 320.436 4.774 30 20 DJED Cc1ccc([C@H](C)N(C)C(=O)CC2(C#N)CCCCC2)c(C)c1 1355616125 LIXKKYHDLIEAMP-KRWDZBQOSA-N 312.457 4.687 30 20 DJED CC(C)(CCCc1ccccc1)C(=O)Nc1ccc(F)c(C#N)c1 1358425241 TZVONQLXYKIAJG-UHFFFAOYSA-N 324.399 4.685 30 20 DJED C[C@@]1(c2ccccc2)CCCN(Cc2ccc(F)c(C#N)c2)CC1 1473465163 LVZGAJXZWDAEPM-OAQYLSRUSA-N 322.427 4.641 30 20 DJED C[C@H](CN1CC=C(c2ccc(C#N)cc2)CC1)C1CCCCC1 1474358704 SZTSLMLKFMWEKL-QGZVFWFLSA-N 308.469 4.864 30 20 DJED C=C(Cl)Cn1c([C@H](C)CC)nnc1N(C)CC1CCCCC1 1507855933 VOKBECOUAOWCII-CYBMUJFWSA-N 324.900 4.561 30 20 DJED C[C@H]1CC[C@@H](CC(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1524040873 VMYVJZALBGPWJQ-NWDGAFQWSA-N 304.459 4.682 30 20 DJED C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC3(C)C)c2C#N)C1 1530057053 FMWHQJCNLNHJBV-FZMZJTMJSA-N 316.470 4.509 30 20 DJED CCC(C)(C)c1ccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1 1531825123 YSNSFBQNTYMDGZ-KRWDZBQOSA-N 312.457 4.529 30 20 DJED N#Cc1ccc(SCC(=O)CCC2CCCC2)c(Cl)c1 1559387221 QFWULZBAAQQBST-UHFFFAOYSA-N 307.846 4.843 30 20 DJED N#Cc1cccc(CN[C@H](CC2CCCC2)c2ccccc2)c1 1645106260 PJUQUYGNKQLNEX-OAQYLSRUSA-N 304.437 4.969 30 20 DJED CC(C)C[C@@H](NC(=O)Nc1cccc(CC#N)c1)c1ccccc1 1671984218 LIJITNWGJACXJJ-LJQANCHMSA-N 321.424 4.662 30 20 DJED O=C(O)c1ccc(NN=Cc2ccc(C3CCCCC3)cc2)cc1 1776014559 VEHOOVQZEYBALA-UHFFFAOYSA-N 322.408 4.879 30 20 DJED Cc1ccc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)cc1 7165069 UHKGARFIRHPZOI-WJDWOHSUSA-N 322.433 4.503 30 20 DJED CCN(CC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 56800404 WWXBQKHAIIGVMZ-UHFFFAOYSA-N 323.396 4.533 30 20 DJED CCN(C(=O)Nc1cccc(C)c1C)[C@@H](C)c1ccc(C#N)cc1 118787005 IIAZZBNGPYMKAV-INIZCTEOSA-N 321.424 4.790 30 20 DJED O=C(/C=C/c1cccnc1Cl)c1cccc(-c2ccncc2)c1 125552590 KETGDDHOTNLMPG-VOTSOKGWSA-N 320.779 4.693 30 20 DJED CC(C)(C)c1csc(COc2cc(Cl)ccc2C#N)n1 129059322 UDKFCUJGHWOMCF-UHFFFAOYSA-N 306.818 4.545 30 20 DJED C=CCC[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 154978641 DQQHYLHBZTUAEL-IBGZPJMESA-N 319.408 4.582 30 20 DJED CCc1noc(C)c1CNc1ccccc1S[C@H](C)CC#N 159450719 AHEIEZSCAZOPCM-GFCCVEGCSA-N 315.442 4.552 30 20 DJED C=C(C)[C@H](N[C@H](C)c1ccc(C)cc1O)c1ccc(F)c(F)c1 186446455 HSFNIVAJMFKWEM-YJYMSZOUSA-N 317.379 4.947 30 20 DJED O=C(/C=C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 214070264 KYTVKSUSFJSKOG-VKDZAETISA-N 313.740 4.701 30 20 DJED CCCc1cccc(C(C)C)c1N/C(O)=N/[C@@H]1CC[C@H](OC)C1 330991217 RXXBGJMDCINLFE-CVEARBPZSA-N 318.461 4.656 30 20 DJED CC(C)c1sc(NC(=O)CCCC#N)nc1-c1ccccc1 360014011 DHZREBUIXHHCDD-UHFFFAOYSA-N 313.426 4.566 30 20 DJED C=CCC[C@@H](N[C@H]1CCOc2c(F)ccc(F)c21)c1ccco1 361187400 IOBVKXSXRYJNSY-CABCVRRESA-N 319.351 4.679 30 20 DJED C=CCCC[C@H](C)NC(=O)Nc1cc(-c2ncco2)ccc1C 373215980 LHVRECLEQOHLCY-AWEZNQCLSA-N 313.401 4.516 30 20 DJED C[C@@H](CNCc1ccc(F)cc1C(F)(F)F)CC(F)(F)F 396898345 VOLHYOPBJCGLFA-MRVPVSSYSA-N 317.248 4.523 30 20 DJED C=CCC[C@H](Nc1cnn(-c2ccccc2)c1C)c1ccco1 428456931 IYLQHRZKBHQKHY-KRWDZBQOSA-N 307.397 4.893 30 20 DJED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2coc3ccccc23)s1 430628256 VEFRNDSGNYOTTR-GFCCVEGCSA-N 324.405 4.677 30 20 DJED C=CCCCCCSc1nncn1[C@H](C)c1ccccc1 447289881 GUBYIQGCFQQDDI-OAHLLOKOSA-N 301.459 4.726 30 20 DJED Cc1nc(N2CC(C)(C)[C@@H]2c2cccs2)c(Cl)cc1C#N 461883636 OEQFSAIFSSHFHE-AWEZNQCLSA-N 317.845 4.564 30 20 DJED CC[C@H](CC(F)(F)F)Nc1ccc(C(F)(F)F)c(C#N)c1 463481807 GIWQYJYXPGXQOJ-SECBINFHSA-N 310.241 4.720 30 20 DJED CC(C)[C@H](Cc1ccc(F)cc1)N[C@@H](C)c1ccc(C#N)cc1 463904055 HHTPJKYQLUUJST-YWZLYKJASA-N 310.416 4.615 30 20 DJED C=CCCCCCN(C)C(=O)[C@@H](C)CCc1cccc(F)c1 464059007 VRUQCLYJZHBUKG-INIZCTEOSA-N 305.437 4.599 30 20 DJED CC(C)(C#N)CCCN(CCc1cccc(F)c1)C1CCCC1 464873994 ASNWDCYJDKBQRY-UHFFFAOYSA-N 316.464 4.943 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 471173856 UXUMOLNWHSBNEK-BRWVUGGUSA-N 304.478 4.524 30 20 DJED N#C[C@H]1CC[C@H](NCc2ccc(Sc3ccccc3)cc2)C1 472155456 LVWSVIWZJHWZCS-IRXDYDNUSA-N 308.450 4.620 30 20 DJED C=CCCC1(C(=O)Nc2cccc3oc(C(F)(F)F)nc23)CC1 483848475 LJGPFZMNMBVINL-UHFFFAOYSA-N 324.302 4.532 30 20 DJED C=CCC(C)(C)CNC(=O)C(c1ccccc1)c1ccccc1 489982838 YTYQZJWMRRKSPN-UHFFFAOYSA-N 307.437 4.537 30 20 DJED CCC(CC)CN(CCC#N)Cc1cnc(-c2ccco2)s1 494924977 RXXAJYVAXSWROA-UHFFFAOYSA-N 317.458 4.555 30 20 DJED C=C[C@@H](CC(=O)N[C@@H](c1cccs1)C1CC1)c1ccccc1 533886682 TXKBOJSAAZNFEX-IFXJQAMLSA-N 311.450 4.675 30 20 DJED N#Cc1cccc(CSCc2cc(-c3ccccc3)on2)c1F 540346632 NSOYAXYHDLPMJB-UHFFFAOYSA-N 324.380 4.786 30 20 DJED C[C@H]1CC[C@H](c2ccccc2)N(c2ncc(C#N)cc2Cl)C1 553333898 NKLNHLZAVSORJD-SUMWQHHRSA-N 311.816 4.584 30 20 DJED N#Cc1ccc(/C=C/c2ccc(-c3ccccc3F)s2)nc1 603894476 XMZFVQCXQRFQKL-BQYQJAHWSA-N 306.365 4.991 30 20 DJED C[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 610216152 QAAZOUZLHNKSNN-LZJOCLMNSA-N 304.437 4.745 30 20 DJED CC[C@H](NCc1ccc(C#N)c(Cl)c1)c1cc(F)ccc1F 619755283 VUQJPOPVGZODFZ-KRWDZBQOSA-N 320.770 4.731 30 20 DJED C=CCC(CC=C)C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 672163635 DLJGRGGKXGTJRX-ZCNNSNEGSA-N 309.453 4.550 30 20 DJED O=C1/C(=C/c2cnc(-c3ccccc3)s2)Cc2c(F)cccc21 727267243 QWBKTYQDHYYTJE-UKTHLTGXSA-N 321.376 4.772 30 20 DJED Clc1cc(Br)ccc1C=NOCc1ccccc1 743433939 GYNCTGSQPNWYHA-UHFFFAOYSA-N 324.605 4.653 30 20 DJED O=C(/C=C/c1cn2cc(Cl)ccc2n1)c1coc2ccccc12 747705260 MCVGXCDZSAQMEA-VOTSOKGWSA-N 322.751 4.630 30 20 DJED COCc1ccc(/C=C/C(=O)c2ccc3cc(O)ccc3c2)cc1 749002632 MOBOLCMDEZHXPX-IZZDOVSWSA-N 318.372 4.588 30 20 DJED CC(C)CCCCCC(=O)N[C@H](CCC#N)c1ccccc1 749045478 LOIAIRRPSPFHOH-GOSISDBHSA-N 300.446 4.754 30 20 DJED CCc1cc(NN=C(C)CCC=C(C)C)nc(-c2ccccn2)n1 749164765 NZDHINROQLYBCW-UHFFFAOYSA-N 323.444 4.635 30 20 DJED COc1cc(C(=O)/C=C\c2ccc(F)cc2C)ccc1SC 750910894 WFCGUULTXOCKDB-YVMONPNESA-N 316.397 4.761 30 20 DJED N#Cc1ccc(N[C@H]2CC3(CCC3)Oc3ccccc32)c(F)c1 757788540 NKJZTXICQLUXGN-KRWDZBQOSA-N 308.356 4.556 30 20 DJED COc1ccc2oc(/C=C\C(=O)c3cc(F)cc(F)c3)cc2c1 763292329 MSEYXVDHVJHVEB-RQOWECAXSA-N 314.287 4.616 30 20 DJED COc1ccsc1/C=C/C(=O)c1sc(C(C)(C)C)nc1C 764434298 YGXSDZZRLULBKI-VOTSOKGWSA-N 321.467 4.715 30 20 DJED CC(=NNc1c(Cl)cc(F)cc1Cl)c1cnc(C)s1 767909609 LBQJNCIOSVXTCH-UHFFFAOYSA-N 318.204 4.734 30 20 DJED C#CC[C@@H](N[C@@H](C)c1ccc(OC(F)F)cc1)c1ccccc1 773104030 DPQHQJFPEGNAFL-KBXCAEBGSA-N 315.363 4.703 30 20 DJED C[C@H](C(=O)O[C@@H](C#N)C1CCCCC1)c1ccc(Cl)s1 776394394 WZOMEVLNTROJMO-JQWIXIFHSA-N 311.834 4.521 30 20 DJED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC[C@H](C)C3)n2)cc1 776517676 RMGQOWPBZZHMQP-NUEKZKHPSA-N 324.449 4.731 30 20 DJED O=C1/C(=C/c2scnc2C2CC2)[C@@H]2CCCc3cccc1c32 782351279 JEEKCIYQDAOFBJ-NCPSJORJSA-N 307.418 4.720 30 20 DJED COc1cccc(O)c1C=Nc1ccc(-c2csc(C)n2)cc1 812402028 FEIDGPQAHIEDIS-UHFFFAOYSA-N 324.405 4.583 30 20 DJED N#CC1(CSc2nnc(CCC3CCCCC3)o2)CCCC1 821077891 CQPCFVXWZVUQDV-UHFFFAOYSA-N 319.474 4.759 30 20 DJED C=CC(C)(C)CC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 879120508 IIQLYHFLEQWQBO-GOSISDBHSA-N 310.441 4.824 30 20 DJED CC(=NNc1ncc(Cl)cc1Cl)c1cc(C)ccc1C 916316940 QMQULAKBHDFCKX-UHFFFAOYSA-N 308.212 4.841 30 20 DJED N#Cc1ccc(NC(=O)CC2CCC(c3ccccc3)CC2)cc1 1124406437 PYZZCPNWJHXKFN-UHFFFAOYSA-N 318.420 4.861 30 20 DJED CC[C@@](C)(C#N)C(=O)Nc1ccc(Oc2cc(C)cc(C)c2)cc1 1125251744 YSIBQRLDUUCKIT-FQEVSTJZSA-N 322.408 4.974 30 20 DJED CCNc1ccc(C#N)cc1NC(=O)[C@H](CC)CC1CCCC1 1150797138 IGKNCWAKGQMVQH-MRXNPFEDSA-N 313.445 4.535 30 20 DJED CC[C@H](Cc1ccc(Cl)cc1)Nc1ncc(C#N)cc1Cl 1162483212 WARYGCPOYDWHNZ-CQSZACIVSA-N 320.223 4.693 30 20 DJED CC(C)[C@H]1CCC[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1 1215837689 CEYIQFAONWJHAB-UONOGXRCSA-N 319.836 4.548 30 20 DJED CC(C)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1308447301 MINADJMJUFQBAI-UHFFFAOYSA-N 303.221 4.796 30 20 DJED COc1ccc([C@H](CC(C)C)Nc2ccc(OCC#N)cc2)cc1 1345942920 CIWHSQKIMYYFEZ-FQEVSTJZSA-N 324.424 4.797 30 20 DJED Cc1c(C#N)cccc1C(=O)NC(C)(C)c1ccc(C(C)C)cc1 1437631298 JHCPSXKPJUZWLY-UHFFFAOYSA-N 320.436 4.655 30 20 DJED C[C@H](C(=O)Nc1cc(F)cc(C#N)c1)c1ccc2ccccc2c1 1438461765 FSBCEIFLEHIQEF-ZDUSSCGKSA-N 318.351 4.593 30 20 DJED CC(C)(C)c1cc(Oc2cc(C#N)ncn2)cc(C(C)(C)C)c1 1458061296 OGUOCZAMZAKWIP-UHFFFAOYSA-N 309.413 4.736 30 20 DJED Cc1ccc([C@@H]2[C@H](C)CCCN2CCc2ccc(C#N)cc2)cc1 1459654970 YRKPXZYJXSAFAE-GCJKJVERSA-N 318.464 4.882 30 20 DJED C[C@H](c1ccccc1)N(Cc1cc(C#N)ccn1)c1ccccc1 1473363765 LWLYBHPJBIXHFK-QGZVFWFLSA-N 313.404 4.721 30 20 DJED Cc1cc(CN[C@H](C)CC(C)(C)c2ccccc2)ccc1C#N 1473967495 JDNZFRDIFFOFJT-QGZVFWFLSA-N 306.453 4.713 30 20 DJED Cc1cccc(C)c1[C@H](C)OC(=O)c1ccc(Cl)c(C#N)c1 1519678257 GIGSLPBNDZXKAK-ZDUSSCGKSA-N 313.784 4.747 30 20 DJED Cc1cc(NCc2ccc(-c3ccccc3)c(C)c2)ncc1C#N 1559172716 NMTYPEISQVIQIA-UHFFFAOYSA-N 313.404 4.849 30 20 DJED Cc1ccc(C#N)c(NCC(C)(C)c2ccc3ccccc3c2)n1 1559251061 AAYPVYVUJRUPNA-UHFFFAOYSA-N 315.420 4.805 30 20 DJED Cc1cc(C#N)cc(NC(=O)[C@H](C)c2cccc(CC(C)C)c2)c1 1583755110 RHEUHVAGESEPRS-MRXNPFEDSA-N 320.436 4.807 30 20 DJED Cc1cc(CN(CCC#N)Cc2ccco2)ccc1C(F)(F)F 1621210126 GGJLGQSSNPZVFK-UHFFFAOYSA-N 322.330 4.523 30 20 DJED C=C(CNC(=O)N[C@@H](c1ccccc1C)C(C)C)c1ccccc1 1631481585 PSHHOUUCAHPHQS-HXUWFJFHSA-N 322.452 4.705 30 20 DJED CC(C)c1ccc([C@@H]2CCCCN2c2ccnc(C#N)c2)cc1 1639733334 QWGYONBVASTFAZ-FQEVSTJZSA-N 305.425 4.808 30 20 DJED Cc1ccc([C@@H]2[C@@H](C)CCCN2c2nccc(C)c2C#N)cc1 1642334912 RPYDXKWQYDUPTH-LPHOPBHVSA-N 305.425 4.548 30 20 DJED N#Cc1cccc(CN[C@H]2CCCC[C@@H]2Cc2ccccc2)c1F 1645366529 ZVUZNVVUMCEETA-XLIONFOSSA-N 322.427 4.588 30 20 DJED CCc1ccc(CNc2cc(C#N)ccc2OC(C)C)s1 1651183845 IXVDBEZUSUJZAW-UHFFFAOYSA-N 300.427 4.581 30 20 DJED CC1(C)CCCN(c2c(C#N)cnc3c(Cl)cccc23)CC1 1655195357 HGZUDFZJQADNRY-UHFFFAOYSA-N 313.832 4.776 30 20 DJED CCOc1ccc(C#N)cc1N[C@@H]1CCC[C@H](CC(C)C)C1 1657712983 KNUGWCXNFVFJFE-NVXWUHKLSA-N 300.446 4.974 30 20 DJED Cc1cc(C#N)cc(N[C@H]2CCC[C@H](c3ncccc3C)C2)c1 1659444012 IIAYMMVNJVYYHU-ROUUACIJSA-N 305.425 4.708 30 20 DJED CC(C)(CC1CCCCCC1)NC(=O)Nc1cccc(C#N)c1 1665579333 UTGZHXJZFLVFRP-UHFFFAOYSA-N 313.445 4.819 30 20 DJED C[C@@H]1C/C(=C\c2ccc(/C=C/C(=O)O)cc2)C(=O)c2sccc21 1776589524 IUCJIRYNWHUQRY-AQGBTUBTSA-N 324.401 4.619 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)C[C@@H](C)c2ccccc2)n1 80456349 RVAQEFFLLCCVPI-HIFRSBDPSA-N 312.438 4.637 30 20 DJED N#Cc1cc(Br)ccc1NCc1ccc(Cl)cc1 96731013 ZMGSHSLDUUPEOR-UHFFFAOYSA-N 321.605 4.586 30 20 DJED C[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1-c1ccccc1C#N 104879709 STQQAQXBGDSKET-QRWLVFNGSA-N 318.420 4.534 30 20 DJED C=CCCOCCNC(=O)Nc1c(C(C)C)cccc1C(C)C 122625892 KRDQCMZUDFNBDM-UHFFFAOYSA-N 318.461 4.648 30 20 DJED C=CCCCCCN(C)C(=O)Nc1cccc(-c2ncco2)c1 152213668 ROZFSRCEJSQCIX-UHFFFAOYSA-N 313.401 4.552 30 20 DJED CCCCCN(C(=O)N[C@H](CCC#N)c1ccccc1)C(C)C 160582386 NZXXIXBYDUMHIR-GOSISDBHSA-N 315.461 4.642 30 20 DJED CC(C)(C#N)CCCSc1ncc(-c2ccc(F)cc2)o1 177228277 YVSJWAYNTQHWRJ-UHFFFAOYSA-N 304.390 4.903 30 20 DJED Cc1c([C@H](C)NCc2ccc(C#N)cc2F)oc2ccccc12 177857300 ZAURLZWIFSROLP-ZDUSSCGKSA-N 308.356 4.603 30 20 DJED CC(C)n1ncc2ccc(N[C@H](C)c3ccc(C#N)cc3)cc21 183005065 RKQKJTDLZYRHCP-CQSZACIVSA-N 304.397 4.662 30 20 DJED C=CC[C@@H](C(=O)Nc1cccc(C(F)F)c1)c1ccccc1 187404432 IXLFIXJJXJAQLH-MRXNPFEDSA-N 301.336 4.923 30 20 DJED C=CCC1(C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)CCC1 189133569 AAXLEPMVPVHWAG-UHFFFAOYSA-N 310.397 4.643 30 20 DJED CCc1ccc(C=NOCc2coc(-c3cccs3)n2)cc1 255096120 USTFXYCXFPZFJI-UHFFFAOYSA-N 312.394 4.516 30 20 DJED CC(C)(C#N)CCCCN[C@H](c1ccccc1)c1nccs1 277780859 RVEUBNNRLKWWSM-MRXNPFEDSA-N 313.470 4.542 30 20 DJED CCC(CC)[C@@H]1C[C@H](Nc2c(C#N)cnc3ccccc23)CCO1 302060781 RBMTVSRLCLJVGV-APWZRJJASA-N 323.440 4.502 30 20 DJED C=C(Cl)CSc1nnc(-c2cccc3ccccc23)o1 303865357 MYTAAMOBXWJRDM-UHFFFAOYSA-N 302.786 4.734 30 20 DJED N#Cc1cccc(CNc2ccccc2Oc2ccccc2)c1 320039295 QUNLHHKXUKPLLV-UHFFFAOYSA-N 300.361 4.963 30 20 DJED OC(=Nc1ccc2[nH]ccc2c1)c1ccn(C2CCCCC2)n1 329896890 CQNANHFWRMRFCM-UHFFFAOYSA-N 308.385 4.506 30 20 DJED CC(C)(CCC#N)CNc1ccc2nc(C(F)F)sc2c1 353110385 LSBOCZPZUKQPNF-UHFFFAOYSA-N 309.385 4.976 30 20 DJED CCc1cnccc1[C@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 360664956 SXCDLQCLPBZOBS-BTYIYWSLSA-N 319.452 4.634 30 20 DJED C[C@@H](CNCc1ccc(F)c(C(F)(F)F)c1)CC(F)(F)F 396901922 YXVQAKMMKBJAKR-MRVPVSSYSA-N 317.248 4.523 30 20 DJED C=CCN(C(=O)[C@]12CCC[C@@H]1C2)c1nc(-c2ccccc2)cs1 421459744 VHHRMRPKPQXZGO-BEFAXECRSA-N 324.449 4.519 30 20 DJED CCC(CC)n1ccc(CSc2ccc(C#N)cc2F)n1 433388051 LLHJQGMMLBRCQL-UHFFFAOYSA-N 303.406 4.547 30 20 DJED CCCC[C@@H](CC)CC(=O)N[C@@H](CCC#N)c1ccccc1 439671169 GYDKFAHXEGLUNU-AEFFLSMTSA-N 300.446 4.754 30 20 DJED Cc1nnc(SCc2cccc(Cl)c2Cl)c(C#N)c1C 446079516 PZDZQTPMZOUXPA-UHFFFAOYSA-N 324.236 4.564 30 20 DJED C[C@@H](NC1CCC(C)(C#N)CC1)c1ccc(Br)cc1 449062669 JSBOWMNWVXRDEZ-UWTIGNOOSA-N 321.262 4.572 30 20 DJED C=CCC1(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)CCCCC1 450922999 BQNGOTZHOGPQAT-OAHLLOKOSA-N 323.436 4.620 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1sc(-c2ccccc2)nc1C 467914528 RSLRFRMQRDMCDF-KRWDZBQOSA-N 300.427 4.659 30 20 DJED CC(C)C[C@H]1CCCCN1C(=O)C[C@@H](CC#N)c1ccccc1 476292794 MYNGZTJVWPKVSH-RTBURBONSA-N 312.457 4.501 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1cccc(F)c1F 485410343 IYXTZEFAZLIHDL-UHFFFAOYSA-N 308.372 4.565 30 20 DJED C[C@@H](SCc1ccc(F)cc1C#N)c1cc(F)ccc1F 488550367 DIEJLUUEUCZNPZ-SNVBAGLBSA-N 307.340 4.970 30 20 DJED C=CC[C@H](C(=O)Nc1ccc2c(c1)C(=O)CCC2)c1ccccc1 489692579 UMGONNRBMPKZBC-SFHVURJKSA-N 319.404 4.504 30 20 DJED Cc1c(C#N)cccc1NCc1cnc(-c2ccccc2)s1 500696402 JNYVKYSOEQFMPM-UHFFFAOYSA-N 305.406 4.602 30 20 DJED CC(C)Sc1ccc([C@H](C)NC(=O)c2ccc(C#N)cc2)cc1 504722965 XSFTUFAFBGWNKU-AWEZNQCLSA-N 324.449 4.550 30 20 DJED N#Cc1csc(CN2CCC[C@H]2c2cccc(Cl)c2)c1 507123337 YVHJGMVQUXCDIY-INIZCTEOSA-N 302.830 4.610 30 20 DJED N#CCN(Cc1ccc(-c2cccc(Cl)c2)s1)C1CC1 511976313 BAPJGZHIFXFQNO-UHFFFAOYSA-N 302.830 4.556 30 20 DJED CCCC[C@H](CC)CNC(=O)Nc1ccc(C(C)(C)C#N)cc1 514514422 MOVQTSWAAJTOKQ-HNNXBMFYSA-N 315.461 4.826 30 20 DJED Cc1ccsc1[C@H](C)NCCSCc1ccccc1C#N 537972056 TVNZMBTYKDXXBD-AWEZNQCLSA-N 316.495 4.512 30 20 DJED Cc1cnc([C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)o1 538878681 IOSIYKGDYJDVGW-CQSZACIVSA-N 319.364 4.820 30 20 DJED CCC[C@H](C(=O)N(CC)c1ccc(C#N)c(Cl)c1)C(C)C 539173301 PPEOUKYXXDCYRZ-HNNXBMFYSA-N 306.837 4.637 30 20 DJED C=CCC[C@H](NCc1cn(-c2ccccc2)nc1C)c1ccco1 552068307 QUZMPRYTCFIWEH-IBGZPJMESA-N 321.424 4.571 30 20 DJED C=CCC(F)(F)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 556274061 WEKVEKZEMKKKBW-UHFFFAOYSA-N 319.138 4.635 30 20 DJED Cc1ccc([C@@H](NCc2ccc(C#N)s2)c2ccccc2)cc1 557654540 XSQDAWKNMARJNO-FQEVSTJZSA-N 318.445 4.807 30 20 DJED N#CCc1cccc(C(=O)Nc2cc(C(F)F)ccc2Cl)c1 574236515 LAQUQVQAHHBGPZ-UHFFFAOYSA-N 320.726 4.596 30 20 DJED C[C@H](NCc1ccc(Cl)c(Cl)c1)c1cccc(C#N)c1 610344616 AMXUUXFJXZGJNU-NSHDSACASA-N 305.208 4.716 30 20 DJED CSc1ccc(CSCc2ccc(F)cc2C#N)cc1 728592020 UNBKETBTAOQYPF-UHFFFAOYSA-N 303.427 4.853 30 20 DJED CCc1oc2ccccc2c1/C=C\C(=O)c1ccc(O)c(OC)c1 730577282 FJISFFSKYAATJD-LUAWRHEFSA-N 322.360 4.606 30 20 DJED O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)c1cncc(F)c1 737444904 UTZAYVRQKBNYSN-FNORWQNLSA-N 311.287 4.516 30 20 DJED COCc1cccc(/C=C\C(=O)c2c(C)[nH]c3ccccc23)c1 742432652 ZBLVADJOQICIPO-KHPPLWFESA-N 305.377 4.519 30 20 DJED CC(C)=C[C@@H]1[C@H](C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)C1(C)C 747196197 IXBLDMFSCHKGES-UMVBOHGHSA-N 316.470 4.681 30 20 DJED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C1CCCCCCC1 752045988 IDPHJCCKSMQTBX-VQTJNVASSA-N 324.468 4.645 30 20 DJED FC(F)CNN=C1CCC(c2cccc(C(F)(F)F)c2)CC1 761809309 HVELDIRKEJAGNY-UHFFFAOYSA-N 320.305 4.574 30 20 DJED Cc1ccccc1[C@H]1CCCN1Cc1ccc(O[C@@H](C)C#N)cc1 768316222 AGWBRNPSJXRKDF-LAUBAEHRSA-N 320.436 4.623 30 20 DJED N#Cc1cc(/C=C\C(=O)c2ccc(Cl)cc2Cl)ccc1F 770569119 MORDRYJTNDPHDP-KXFIGUGUSA-N 320.150 4.900 30 20 DJED CC[C@H](Nc1ccc(OC)c2ncccc12)c1ccc(C#N)cc1 774327926 MZDRKHHGGDLUNF-KRWDZBQOSA-N 317.392 4.678 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N1CC[C@@H]([C@H]2CCOC2)C1 774819534 FFXTYHZIFYHGIM-OTWHNJEPSA-N 323.521 4.648 30 20 DJED CCC[C@H](Cc1ccccc1)N[C@@H](C)c1ccc(OCC#N)cc1 776157661 SVGFUGHSRSQTII-FXAWDEMLSA-N 322.452 4.651 30 20 DJED CC(C)(C#N)COC(=O)c1cc(-c2ccccc2)ccc1Cl 781476405 DBVDHEKVGDVHTA-UHFFFAOYSA-N 313.784 4.714 30 20 DJED O=C1/C(=C/c2cc(Cl)cs2)CCOc2ccc(F)cc21 782322681 HQMGBJNYVNOCRY-WEVVVXLNSA-N 308.761 4.589 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2cc(F)c(F)cc2F)c(Cl)c1 788359703 CILIQSHZSBWBLL-RQOWECAXSA-N 321.685 4.525 30 20 DJED CCc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)cc1Cl 796501887 FMUXGLZKGWGADG-ZDUSSCGKSA-N 314.816 4.805 30 20 DJED C=CCCCC(=O)Nc1cccc(NC(=O)OC(C)(C)C)c1C 862719620 BIMUBQYNPIFFKW-UHFFFAOYSA-N 318.417 4.637 30 20 DJED C=CCN(C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)C(C)C 918079687 KYNPBRTZIMLXOO-GOSISDBHSA-N 318.436 4.663 30 20 DJED CCCCCCCCCN(C)C(=O)Nc1ccc(CC#N)cc1 918542733 YTALTNFEFURFAX-UHFFFAOYSA-N 315.461 4.967 30 20 DJED CCn1nc(C)c(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)c1C 920927850 WARXTUJIQVBCLV-RAXLEYEMSA-N 310.441 4.713 30 20 DJED C[C@H](N[C@H](C)CC(C)(C)C#N)c1ccc(-c2ccncc2)cc1 925196481 MWPYMHXRMKDPNN-CVEARBPZSA-N 307.441 4.728 30 20 DJED N#Cc1nc(Oc2ccc(Cl)cc2Cl)sc1Cl 1161989257 SNLMYVOBXFSLCX-UHFFFAOYSA-N 305.573 4.767 30 20 DJED CN(c1ncc(C#N)cc1Cl)C1CCC(C(C)(C)C)CC1 1162297608 QWGFQFPGTLIKNQ-UHFFFAOYSA-N 305.853 4.648 30 20 DJED C[C@@H](C#N)CN(Cc1cccc(Oc2ccc(F)cc2)c1)C1CC1 1180137261 XFJAWJUZUXVNCD-HNNXBMFYSA-N 324.399 4.742 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1ccc(Cl)c2occc12 1265977637 HUKWZRTXKPNVGB-UHFFFAOYSA-N 310.740 4.519 30 20 DJED CCC(C)(C)C1CCC(CC(=O)N2CCC[C@](C)(C#N)C2)CC1 1295475929 ZSNNQWHQCIFRQA-LBXVMSDZSA-N 318.505 4.771 30 20 DJED C=CCCO[C@H](C)C(=O)N(Cc1ccccc1)c1ccc(C)cc1 1318103703 REVWFAZPICTWEJ-GOSISDBHSA-N 323.436 4.509 30 20 DJED CC(C)Cc1nnc(-c2cccc(Oc3ccc(C#N)cc3)c2)o1 1326254419 GHRTXHMHTXNVLL-UHFFFAOYSA-N 319.364 4.599 30 20 DJED C#CCCCCCc1nnc(Cc2ccc3ccccc3c2)o1 1326971978 BISPZHQBZXYHPP-UHFFFAOYSA-N 304.393 4.550 30 20 DJED CC[C@@](C)(C#N)c1nnc([C@H](C)Oc2ccc3ccccc3c2)o1 1349965376 OQVOMRBHEYJLCZ-DJJJIMSYSA-N 321.380 4.554 30 20 DJED CN(C(=O)[C@@H](CC#N)c1ccccc1)c1ccc(C(C)(C)C)cc1 1355840577 RDLMZNZUXNRFFA-IBGZPJMESA-N 320.436 4.644 30 20 DJED CCC(CC)[C@@H](NC(=O)c1cc(C#N)ccc1C)c1ccccc1 1356138167 YSNSLYNPAUPBIJ-HXUWFJFHSA-N 320.436 4.774 30 20 DJED N#Cc1nc(NC[C@@H]2CCC[C@H]2c2ccccc2)sc1Cl 1458408298 ULQPKLWUJGSIGS-STQMWFEESA-N 317.845 4.664 30 20 DJED Cc1ccc(CNc2cccc(C#N)n2)c(O[C@@H](C)CC(C)C)c1 1472730970 MUHVVHMLBHJSTE-INIZCTEOSA-N 323.440 4.687 30 20 DJED Cc1c(C)c(C)c(CN2CCc3c(C#N)cccc32)c(C)c1C 1473568116 GCUYSBSAMFWAPI-UHFFFAOYSA-N 304.437 4.663 30 20 DJED N#CC1(CC(=O)O[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCCCC1 1523968506 XEOBJRGTSIYMBT-IXDOHACOSA-N 303.446 4.753 30 20 DJED C=C(Br)CN(CC(C)C)c1ccc(Cl)cc1 1559602052 YSILJMVPRYLGMY-UHFFFAOYSA-N 302.643 4.711 30 20 DJED CC(C)(C)c1ccc2c(c1)CCCN2Cc1cccc(C#N)c1 1559655199 UEQFUILEIAIDAK-UHFFFAOYSA-N 304.437 4.809 30 20 DJED C[C@H]1CCc2sc(NC(=O)CCCC3CC3)c(C#N)c2[C@H]1C 1584029802 XPNNAOBGIHRUAK-RYUDHWBXSA-N 316.470 4.824 30 20 DJED CCC(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1585242091 PBGBMKBJICUUBN-UHFFFAOYSA-N 316.813 4.711 30 20 DJED N#Cc1ccc(CN(CC[C@H]2CCc3ccccc32)C2CC2)cc1 1616567486 CZXNVIJKQBXGQU-HXUWFJFHSA-N 316.448 4.643 30 20 DJED C[C@@H](CC1CCCC1)C(=O)N(c1cccc(C#N)c1)C1CCC1 1617600821 RYOGDPYMTCRRGO-HNNXBMFYSA-N 310.441 4.660 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@H]1c1ccccc1 1621396841 UNXMDFIAVLOSML-NNWRFLSQSA-N 316.448 4.862 30 20 DJED Cc1cc(Nc2cccc(F)c2C#N)ccc1Oc1cccnc1 1639330421 HWLWMAQJSAZCOI-UHFFFAOYSA-N 319.339 4.937 30 20 DJED Cc1cc(C)cc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 1641842208 KIZPDCPRSPSTJK-NHCUHLMSSA-N 304.437 4.575 30 20 DJED Cc1cc(N[C@H](C)c2ccc(Cl)cc2Cl)ncc1C#N 1651804005 LOSFHBAJPKIFBO-SNVBAGLBSA-N 306.196 4.742 30 20 DJED CCOC(=O)Nc1ccc(N[C@@H]2CCCC(C)(C)C2)cc1C#N 1652177439 ZXYLJLDELLCYLU-OAHLLOKOSA-N 315.417 4.507 30 20 DJED N#CC1(CSc2nc3ccccc3n2-c2ccccc2)CCC1 1652403238 LFQSEHKJQBIASV-UHFFFAOYSA-N 319.433 4.811 30 20 DJED Cc1cc(CNc2cccc(C)c2Br)ccc1C#N 1657222838 YBWRZUBIFKRKBS-UHFFFAOYSA-N 315.214 4.550 30 20 DJED CC(C)(CNCc1cc(C#N)cs1)c1ccc2ccccc2c1 1657773196 NVYMBSRZNHQYST-UHFFFAOYSA-N 320.461 4.840 30 20 DJED O=C(/C=C/c1ccc(O)cc1)c1ccc(-c2ccccc2)cc1 6552226 NAAXOJMQLXMBRE-OVCLIPMQSA-N 300.357 4.955 30 20 DJED CC(=O)Nc1ccc(C(=O)/C=C/c2cccc3ccccc23)cc1 40144675 SBHYYLAVZKREMU-SDNWHVSQSA-N 315.372 4.694 30 20 DJED N#Cc1ccccc1CNc1ccc2nc(C3CC3)sc2c1 63890292 VIGBLIJXQLRSOM-UHFFFAOYSA-N 305.406 4.657 30 20 DJED CC(C)c1ccc(CN(C)C(=O)Nc2ccc(CC#N)cc2)cc1 76083963 OJJJPLMMGHSFQQ-UHFFFAOYSA-N 321.424 4.540 30 20 DJED C=C[C@@H](CC(=O)N1CCC[C@@H]1c1cccs1)c1ccccc1 123473504 JTPXWMLHZGJJIX-DOTOQJQBSA-N 311.450 4.772 30 20 DJED C[C@H](CC(=O)[C@@H](C#N)c1nc2ccccc2o1)C1CCCCC1 171330358 UTBCHHQRTYFNMD-UKRRQHHQSA-N 310.397 4.611 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](CC)CCC 195727640 KRNMNVPVWXCELQ-LBPRGKRZSA-N 314.882 4.678 30 20 DJED O=C(/C=C\c1cccs1)c1cc(Br)ccc1F 255007829 MIDAJJYSTYNNQN-XQRVVYSFSA-N 311.175 4.546 30 20 DJED Cc1ncccc1/C=C\C(=O)c1ccc(SCC(F)F)cc1 255925972 SMQXWIFRLJWTIP-TWGQIWQCSA-N 319.376 4.643 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1cccc(C)c1C 277491228 XAUIIOKOAQCKAR-SFHVURJKSA-N 305.462 4.597 30 20 DJED N#CCCCCNc1cc(C(F)F)nc2ccc(Cl)cc12 288796424 GGFCLPDUJAZEIU-UHFFFAOYSA-N 309.747 4.932 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(C(F)(F)F)cc1)C2 303324493 VARAGBWZZJYKLA-ZROIWOOFSA-N 302.295 4.836 30 20 DJED Cc1nc(N[C@H](C)c2ccc(Cl)cc2)c(Cl)cc1C#N 312584422 QAMROLMYJNWBBY-SECBINFHSA-N 306.196 4.742 30 20 DJED N#CCOc1ccc(NCc2c(Cl)oc3ccccc23)cc1 317364738 JCTCLZFMKGSXGL-UHFFFAOYSA-N 312.756 4.601 30 20 DJED CC1(C)CCC(CC(O)=Nc2cccc3c2CN=C3O)CC1 329268705 IEYWWIFNMKPUHT-UHFFFAOYSA-N 300.402 4.699 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)C1C(C)(C)C1(C)C 345478146 FYZRGLJNDCZLPI-GFCCVEGCSA-N 316.470 4.702 30 20 DJED C[C@H](Nc1cccc(-c2nccs2)c1)c1cccc(C#N)c1 387062528 SARPLLNPYMAYAZ-ZDUSSCGKSA-N 305.406 4.855 30 20 DJED CN(CC(C)(C)C#N)c1ccc2ccc(Cl)c(Cl)c2n1 432155839 GSQSUPPJDZBGFC-UHFFFAOYSA-N 308.212 4.528 30 20 DJED C=CCC[C@@H](CCC)Nc1cccc(NC(=O)NCC)c1C 433083781 OYGGOAPCXGSEJE-OAHLLOKOSA-N 303.450 4.683 30 20 DJED C=CC[C@H](C(=O)Nc1cc2[nH]ccc2cc1C)c1ccccc1 444452291 YADWSPMBXKNHSC-KRWDZBQOSA-N 304.393 4.775 30 20 DJED N#Cc1ccc(CN2CCC[C@H]2c2ccccc2Cl)s1 507170218 MIQGBDZUCVWXBO-INIZCTEOSA-N 302.830 4.610 30 20 DJED N#CCc1ccc(CN2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1 511842188 GEIAUVWGQZFKDU-VSKRKVRLSA-N 316.448 4.521 30 20 DJED CCCN(Cc1cc(C#N)ccc1F)[C@@H]1CCc2ccccc21 521819345 ZHFBPSVKKKZZQW-HXUWFJFHSA-N 308.400 4.597 30 20 DJED COc1ccccc1-c1ccc(/C=C\c2ccc(C#N)cn2)cc1 525045526 BSZKQTTZAWYIGM-WQLSENKSSA-N 312.372 4.799 30 20 DJED N#Cc1cccc(CNc2ccccc2COc2ccccc2)c1 531149544 TZZZRIALFCYUTR-UHFFFAOYSA-N 314.388 4.749 30 20 DJED C=C[C@H](CC(=O)N(C)Cc1ccccc1Cl)c1ccccc1 536166216 SCVJRVQNGPXOPV-OAHLLOKOSA-N 313.828 4.658 30 20 DJED C=CCC[C@H](N[C@@H]1CCc2c(OC)cccc21)c1ccccc1 537950190 MAQMSDFKNSDCKL-VQTJNVASSA-N 307.437 4.980 30 20 DJED C[C@H](Nc1cccc(OCCCC#N)c1)[C@H](C)c1ccccc1 539627635 BRLXNWXUDLAJDB-IRXDYDNUSA-N 308.425 4.973 30 20 DJED C=CC[C@H](C)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 540171067 MOYBXOXSDRMMFQ-WFASDCNBSA-N 316.445 4.881 30 20 DJED C[C@H](c1cccc(C(F)(F)F)c1)N(CC1(C#N)CC1)C1CC1 540549805 PSBNRDJBIWDANZ-GFCCVEGCSA-N 308.347 4.535 30 20 DJED C=CCC(F)(F)c1nc(-c2ccc(Cl)cc2Cl)no1 559979369 CLGBNCVBWBNSHB-UHFFFAOYSA-N 305.111 4.711 30 20 DJED COc1ccc([C@H](CCC#N)NCc2ccc([C@@H]3C[C@H]3C)o2)cc1 576221658 BLCIQHPMBLLXEM-ZMYBRWDISA-N 324.424 4.546 30 20 DJED CSc1ccc([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)cc1 580681768 ZGLRNDAUMQARJD-YJYMSZOUSA-N 308.450 4.618 30 20 DJED CC(C)(CNC(=O)CCCCCC#N)c1ccc2ccccc2c1 600688164 OQLPXTPIPOBNIX-UHFFFAOYSA-N 322.452 4.708 30 20 DJED C=CCCCCCN(C)C(=O)[C@@H](C)SCc1ccccc1 610051270 MVTUOABBSDMOKL-MRXNPFEDSA-N 305.487 4.513 30 20 DJED C=C[C@H](C)NC(=O)c1sc2cccc(Cl)c2c1Cl 674957018 PTOLKNJIQYRAHB-ZETCQYMHSA-N 300.210 4.512 30 20 DJED Cc1cc(Cl)cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)c1 675644231 ZPSIBBMSGXJVAY-MRXNPFEDSA-N 320.779 4.687 30 20 DJED CCCC(Cc1ccccc1)=NNc1oc(C(C)(C)C)nc1C#N 727257067 DCDVXDYOWDFQJY-UHFFFAOYSA-N 324.428 4.654 30 20 DJED C#CCOc1ccc(CN[C@H](c2ccccc2)C(C)(C)C)cc1 733324323 PIEZZPUADPZVPL-HXUWFJFHSA-N 307.437 4.576 30 20 DJED O=C1/C(=C\c2ccccc2OC(F)(F)F)Cc2cc(F)ccc21 734305067 GUVBAFVHJVEGGX-GHXNOFRVSA-N 322.257 4.547 30 20 DJED C/C(=C/C(=O)Nc1ccccc1SCCC#N)C(C)(C)C 742649586 PKRQVSFFNDGGRJ-SEYXRHQNSA-N 302.443 4.623 30 20 DJED COc1ccc(CCC(C)=NOCc2ccc(Cl)s2)cc1 744179374 UHYJWKYSGIMTCB-UHFFFAOYSA-N 323.845 4.935 30 20 DJED C=CCN(C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)C(C)C 746511185 RUVJQTANWFVXCN-LLVKDONJSA-N 300.229 4.520 30 20 DJED O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)c1ccncc1 776188260 LWFSFVFPRMDMBH-RJRFIUFISA-N 311.690 4.650 30 20 DJED CCC(CC)[C@H]1C[C@H](Nc2nc3ccccc3cc2C#N)CCO1 778008605 BOXCSABUGNKQCD-IEBWSBKVSA-N 323.440 4.502 30 20 DJED C=C[C@@H]1CCCCN1C(=O)c1sc2ccccc2c1Cl 785861800 LTEFSYUQIYNAAY-LLVKDONJSA-N 305.830 4.735 30 20 DJED FC(F)(F)c1ccc(NN=C2CCC[C@H]2c2ccccn2)cc1 794923324 NQXCTIYRLOYRAZ-AWEZNQCLSA-N 319.330 4.836 30 20 DJED CC(C)(C)[C@H](Nc1nc(Cl)c(C#N)s1)c1ccccc1 804539723 NWHOZTCTCJSMDJ-GFCCVEGCSA-N 305.834 4.867 30 20 DJED C[C@@H](NCC(C)(C)CCC#N)c1cc(Cl)c(Cl)cc1O 806177803 KLWIODXXULGVIH-SNVBAGLBSA-N 315.244 4.680 30 20 DJED C#CCC1(c2nc(-c3cccc(C(F)F)c3)no2)CCCCC1 809481011 YXULTGNNDPKNTI-UHFFFAOYSA-N 316.351 4.899 30 20 DJED N#C[C@H](C(=O)CC1CCCCCC1)c1cc(C(F)(F)F)ccn1 813212596 DFPWNGRQHZJVLX-AWEZNQCLSA-N 324.346 4.637 30 20 DJED C[C@H](N[C@H](C)c1cccc(C2CC2)c1)c1ccc(OCC#N)cc1 815591556 KPZUDXBFOUPJAH-JKSUJKDBSA-N 320.436 4.878 30 20 DJED N#CC1(CCCCOC(=O)c2ccsc2C(F)F)CCC1 909507464 CCURHQSBKBTMPL-UHFFFAOYSA-N 313.369 4.707 30 20 DJED Cc1nc2ccc(N=Cc3cc4ccccc4nc3O)cc2s1 912775433 CMDCSCLVQFTRTD-UHFFFAOYSA-N 319.389 4.609 30 20 DJED C#Cc1cccc(NC(=O)N2CCCCC[C@H]2c2ccccc2)c1 916673966 YQTLWTJCAASHRW-FQEVSTJZSA-N 318.420 4.817 30 20 DJED Cc1ccc2c(c1)C/C(=C/c1csc(Br)c1)C2=O 921269443 LKASBHOWZSJUII-XGICHPGQSA-N 319.223 4.641 30 20 DJED C=C[C@@H](CC)CC(=O)Nc1cc(NC(=O)CCC)ccc1Cl 935156993 DSUHNMAPGFLEJR-LBPRGKRZSA-N 322.836 4.619 30 20 DJED C[C@@H](OC(=O)CC(C1CCC1)C1CCC1)c1ccc(C#N)cc1 1126713202 SHFHKOTXDUZGIN-CQSZACIVSA-N 311.425 4.769 30 20 DJED N#Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 1131135006 UFNRPWZKWXCHAR-VBNZEHGJSA-N 316.832 4.757 30 20 DJED Cc1cc(N[C@@H](Cc2ccccc2)c2cccs2)ncc1C#N 1185337438 DKULLTBDKLRGMG-KRWDZBQOSA-N 319.433 4.719 30 20 DJED Cc1nc(NCC(C)(C)Cc2ccccc2)c(Cl)cc1C#N 1185376461 KLQNQZGJENBRPS-UHFFFAOYSA-N 313.832 4.596 30 20 DJED C[C@H](CC(C)(C)C#N)NCC1(Cc2cccc(Cl)c2)CC1 1206215861 RYMPENHOSGMEGH-CQSZACIVSA-N 304.865 4.581 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)[C@@H](C)c1nccc2ccccc12 1206376233 DGGMUESACMSGOQ-HOTGVXAUSA-N 315.420 4.860 30 20 DJED N#Cc1cnccc1Nc1ccc(Oc2cccc(F)c2)cc1 1214016928 XSCOCZPINXUTFC-UHFFFAOYSA-N 305.312 4.628 30 20 DJED COc1ccc([C@H](N[C@@H](C)CC(C)(C)C#N)c2ccccc2)cc1 1308862449 XJZBAFLZNKSDKE-OXJNMPFZSA-N 322.452 4.703 30 20 DJED CC(=NNc1ccc(C(C)(C)C)nn1)c1oc2ccccc2c1C 1328714743 BADRUSAKWUFHQL-UHFFFAOYSA-N 322.412 4.665 30 20 DJED CC[C@H](C#N)[C@@H](OC(=O)[C@H](F)c1ccccc1)c1cccs1 1343904278 AZVYWVVZSPGEML-DAXOMENPSA-N 317.385 4.593 30 20 DJED C[C@@H](OC(=O)c1cccc2ccsc12)c1ccc(C#N)cc1 1457196650 YFVSNWOLHCSYPJ-GFCCVEGCSA-N 307.374 4.691 30 20 DJED CCN(C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1ccc(C#N)c(Cl)c1 1458034146 IDMJQTWQJXIDMZ-HZSPNIEDSA-N 318.848 4.637 30 20 DJED Cc1cccc(Oc2ccc(Nc3nc(C)cc(C#N)n3)cc2)c1 1458053269 IQBZINWAYQEIRO-UHFFFAOYSA-N 316.364 4.501 30 20 DJED CCCC[C@@H](C)C(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1525198925 ZAYXGHSILQCEKQ-CQSZACIVSA-N 323.440 4.731 30 20 DJED CC(C)c1ccc(C(=O)N2CCc3cc(C#N)ccc32)cc1Cl 1528622760 IUZSMWPVMQCXRG-UHFFFAOYSA-N 324.811 4.538 30 20 DJED Cc1ccc(C#N)cc1C(=O)Nc1ccc(-c2ccccc2)cc1 1530858243 QXHQKJJBXGIAMY-UHFFFAOYSA-N 312.372 4.786 30 20 DJED Cc1c(C#N)cccc1C(=O)N(c1ccccc1)[C@@H](C)C(C)C 1537685280 VUDXMGTWHZKFOI-INIZCTEOSA-N 306.409 4.558 30 20 DJED N#Cc1ccc(Oc2nc3cccc(F)c3s2)c(Cl)c1 1559056560 MSXAGWQXNCPRBV-UHFFFAOYSA-N 304.733 4.753 30 20 DJED CC1(C)CC[C@H](Nc2nc(C#N)c(Cl)s2)c2ccccc21 1559084601 AVGWNJNQPCSUEK-LBPRGKRZSA-N 317.845 4.893 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1cc2ccccc2o1 1560497282 JLHPFUAOCDGUCN-UHFFFAOYSA-N 306.365 4.704 30 20 DJED Cc1cc(C)c(N[C@@H]2CCC[C@@H](C#N)C2)cc1Br 1560769997 NXYJDLZUYLJASP-CHWSQXEVSA-N 307.235 4.560 30 20 DJED C[C@@H](CC(C)(C)C#N)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 1560839103 KJTFCIZBSMSUOT-MEDUHNTESA-N 308.828 4.848 30 20 DJED COc1cc(NC(=O)CC2(C#N)CCCCC2)cc2ccccc12 1585126672 LAFWGSCRKRODDJ-UHFFFAOYSA-N 322.408 4.651 30 20 DJED Cc1cc(Oc2ccc3oc4ccccc4c3c2)ncc1C#N 1611733955 SQMHFNKCWCUAJV-UHFFFAOYSA-N 300.317 4.953 30 20 DJED CCC[C@@H](C(=O)N(CCC#N)CC(C)C)c1cccc(Cl)c1 1631265882 QSSSBGWLJTZIOQ-QGZVFWFLSA-N 320.864 4.622 30 20 DJED CC[C@@H](Nc1ccc(Cl)c(C#N)n1)c1cccc(Cl)c1 1639551097 BUGINSVWKHJUAX-CYBMUJFWSA-N 306.196 4.823 30 20 DJED Cc1ccc(C2(CNc3nc(C)ccc3C#N)CCCC2)c(C)c1 1639975900 IASVCBGLPMPSQC-UHFFFAOYSA-N 319.452 4.802 30 20 DJED Cc1ccccc1Sc1c(Br)cccc1C#N 1642119745 HXDXPWNTILLEMG-UHFFFAOYSA-N 304.212 4.780 30 20 DJED Cc1nc(N(C)C2CC(C)(C)CC(C)(C)C2)c(Cl)cc1C#N 1642911391 INZUJHQESRNLKD-UHFFFAOYSA-N 319.880 4.956 30 20 DJED C[C@@H](CC#N)NCc1cc(F)ccc1Oc1cccc(Cl)c1 1651494417 LGXYPBNFXMYBQO-LBPRGKRZSA-N 318.779 4.663 30 20 DJED C[C@@H]1CCC[C@H](CCN2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 1653428126 TXPDLPSQLJQBTE-UKAVVXHISA-N 310.485 4.975 30 20 DJED Cc1ccc(-c2nc(CNc3cc(C)cc(C#N)c3)cs2)cc1 1656435122 AZXQLMAWTGSHFF-UHFFFAOYSA-N 319.433 4.911 30 20 DJED O=C(O)c1cccc(NN=Cc2ccc(-c3ccccc3)s2)c1 1776036642 MPSIKGVISXAKJA-UHFFFAOYSA-N 322.389 4.559 30 20 DJED CC[C@H](C)c1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc1 1776697825 PILPATBEFWWZOT-BLXFFLACSA-N 308.377 4.794 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1ccc(C2CC2)cc1 1776784330 WJGUUQYCJSRCSS-LJQANCHMSA-N 317.473 4.857 30 20 DJED O=C(/C=C/c1csc(Br)c1)c1ccc(F)cc1 31823885 OTEBIFFFCUWNQY-LZCJLJQNSA-N 311.175 4.546 30 20 DJED N#Cc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1Cl 37393324 CGHCNYHFIQDMKO-UHFFFAOYSA-N 310.706 4.843 30 20 DJED CC(C)(C)c1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1 41546285 WSBZMIHBNCUOAZ-OAHLLOKOSA-N 318.376 4.615 30 20 DJED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(C#N)cc1 45029854 KQCSEVSTGKEOFE-ZDUSSCGKSA-N 319.364 4.529 30 20 DJED N#Cc1cc(Cl)ccc1NCc1ccccc1Br 52857730 GKBPSHGZHMQFFI-UHFFFAOYSA-N 321.605 4.586 30 20 DJED CCOc1ccccc1[C@@H](C)N[C@@H](CCC#N)c1ccccc1 90664445 JQVQZQXUKYFQKZ-APWZRJJASA-N 308.425 4.781 30 20 DJED N#Cc1ccc(CNc2ccc(Cl)c(Br)c2)cc1 94667760 NCDBSAUZRKMROJ-UHFFFAOYSA-N 321.605 4.586 30 20 DJED Cc1ccc(CN(CCCC(C)(C)C#N)Cc2ccco2)s1 174834123 MWNBFCVWBQZUNU-UHFFFAOYSA-N 316.470 4.982 30 20 DJED C=C[C@H](CC(=O)N[C@H]1CCSc2ccccc21)c1ccccc1 179346495 LNYLSGLESVKMCR-QAPCUYQASA-N 323.461 4.700 30 20 DJED Cc1cccc(/N=C2\N=C(O)/C(=C/c3cccc(C#N)c3)S2)c1 206894844 XCHBEDBMRCBZHI-YBEGLDIGSA-N 319.389 4.599 30 20 DJED CC(C)(CNCc1ccc(C#N)o1)c1ccc(Cl)c(Cl)c1 236733838 VERUMXVNGXXSMG-UHFFFAOYSA-N 323.223 4.525 30 20 DJED C[C@H](Nc1cc2ccccc2c(Cl)n1)c1cccc(C#N)c1 301438955 LQHOUOYTLFXFQB-LBPRGKRZSA-N 307.784 4.933 30 20 DJED CC(C)[C@H](Nc1ccc(C#N)cn1)c1ccc(Cl)cc1F 302042392 IRVLCNAHIGAHPO-INIZCTEOSA-N 303.768 4.555 30 20 DJED COc1ccc(C)cc1-c1csc(Nc2ccc(C#N)cc2)n1 303065425 ZNBDDJBGSKJQAO-UHFFFAOYSA-N 321.405 4.742 30 20 DJED N#CCCCOc1cccc(NCc2ccsc2Cl)c1 312568385 HJWVPTNZTXJPNB-UHFFFAOYSA-N 306.818 4.696 30 20 DJED N#CC1(c2ccccc2)CC(N[C@H]2CCCCC23CCCC3)C1 324216568 DRFSRIPFFVDCTG-SCCNAQOGSA-N 308.469 4.703 30 20 DJED Cc1nc(C2(/N=C(/O)C3CCC(C)(C)CC3)CCCCC2)no1 330268116 QYTWMQRXPAWCER-UHFFFAOYSA-N 319.449 4.710 30 20 DJED CCCc1cccc(C(C)C)c1N/C(O)=N/C[C@@]1(C)CCOC1 330987517 QNOPWVXFCFPTSQ-LJQANCHMSA-N 318.461 4.515 30 20 DJED COCCCC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccccc1 359027719 JYVIMWKKWPAIGV-DYESRHJHSA-N 322.452 4.767 30 20 DJED C=CCC[C@H](C(=O)NC[C@H]1CCCC(F)(F)C1)c1ccccc1 410248511 AEAPJEZJTZVJHV-RDJZCZTQSA-N 321.411 4.678 30 20 DJED C=C[C@@H](Cc1nc(-c2c[nH]c3ccccc23)no1)c1ccccc1 445440920 ARICGKCGUXRGEB-AWEZNQCLSA-N 315.376 4.730 30 20 DJED CC(C)(C)c1ccc(C2CCN(C[C@@H](C#N)CCC#N)CC2)cc1 451533532 MJXIJMNBBBVUBR-QGZVFWFLSA-N 323.484 4.607 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1cc(Cl)ccc1Br 467960995 UISUOEFYUMTHPI-ZDUSSCGKSA-N 316.626 4.643 30 20 DJED C[C@H](Cc1ccc(C(F)(F)F)cc1)Nc1ccc(CC#N)cc1 468476704 WTOFYIWMPXQNOG-CYBMUJFWSA-N 318.342 4.815 30 20 DJED C=CCCC1(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)CC1 475114134 SPIBKIYNAYVVFY-GFCCVEGCSA-N 311.347 4.629 30 20 DJED C=CCCCC(=O)Nc1ccc(NCCc2ccccc2)cc1 479646338 SSTCFXUVMWWEOV-UHFFFAOYSA-N 308.425 4.636 30 20 DJED C=CCOc1cccc(CNc2cccc(-c3ncco3)c2C)c1 491592197 SFPFCBCBMQAWRZ-UHFFFAOYSA-N 320.392 4.827 30 20 DJED CC(C)(C#N)CC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 498263861 MXCOVYIOLLKVPZ-QGZVFWFLSA-N 318.848 4.627 30 20 DJED Cc1ccc(-c2cncc(F)c2)cc1NCc1cccc(C#N)c1 509492178 KYFNUUPQMZHVGI-UHFFFAOYSA-N 317.367 4.680 30 20 DJED CSc1ccccc1CSCCCC1(C#N)CCOCC1 512331986 LYGHFQYTGQYXOU-UHFFFAOYSA-N 321.511 4.742 30 20 DJED C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)CCC(C)(C)C 522996757 BOLTVPBTNIEOAZ-INIZCTEOSA-N 302.462 4.599 30 20 DJED C=C(C)CSCc1csc(-c2ccc(OC)c(OC)c2)n1 531111904 PLPKOZHSRWQAEO-UHFFFAOYSA-N 321.467 4.637 30 20 DJED C=CCC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 537950248 NYWZHQKGXXJJAA-DNVCBOLYSA-N 310.397 4.953 30 20 DJED C[C@H]1CN(Cc2cccc(OCCCC#N)c2)[C@H]1c1ccccc1 538724067 PWCYVYPGQSIJHE-LAUBAEHRSA-N 320.436 4.562 30 20 DJED CC[C@H](CC#N)NCc1ccc(-c2ccccc2Cl)s1 546579166 IZMNTLWJTYXAFP-GFCCVEGCSA-N 304.846 4.850 30 20 DJED CCC[C@@H]1CCc2ccccc2N1C(=O)c1ccc(CC#N)cc1 550843357 YCDJIRWMFHRCNP-LJQANCHMSA-N 318.420 4.514 30 20 DJED C=CCC(F)(F)c1nc(-c2cc(Cl)cc(Cl)c2)no1 559934236 ISQQFDJCXNSMCZ-UHFFFAOYSA-N 305.111 4.711 30 20 DJED C/C(=C/c1ccccc1C(F)(F)F)CN1CCC(CC#N)CC1 565375150 VDGCXZUUGUIXBY-OWBHPGMISA-N 322.374 4.734 30 20 DJED N#Cc1cc(NCc2cnc(C3CCCCC3)s2)ccc1F 583542612 YUMMWXPPVCQFKD-UHFFFAOYSA-N 315.417 4.814 30 20 DJED N#CCCCCCC(=O)N1CC[C@H](C(F)(F)F)c2ccccc21 590478308 LNJFGJQRNIGJPW-AWEZNQCLSA-N 324.346 4.543 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(F)cc1 606538503 VOWPDDZEQVPJJB-UHFFFAOYSA-N 324.808 4.761 30 20 DJED CC(=NNc1ncnc2c1oc1ccccc12)c1ccc(C)cc1 725842086 ZZLKNCSCZUTCHT-UHFFFAOYSA-N 316.364 4.521 30 20 DJED CC(=NNc1ncnc2c1oc1ccccc12)C1CCCCC1 725844310 UMZRSCUAMUOAEC-UHFFFAOYSA-N 308.385 4.744 30 20 DJED CC(=NNc1ccc(OCC(F)(F)F)cc1)C1CCCCC1 727261586 FQDOCTZYFBXQEK-UHFFFAOYSA-N 314.351 4.996 30 20 DJED Cc1nc(-c2ccccc2)sc1C(=O)/C=C/c1cccc(O)c1 727780977 YTCHKIMGLMYBHG-ZHACJKMWSA-N 321.401 4.720 30 20 DJED COc1ccc2oc(C(=O)/C=C\c3cccc(F)c3)c(C)c2c1 729151371 RUGKZLJRJDILCW-VURMDHGXSA-N 310.324 4.785 30 20 DJED C=CC1CCN(C(=O)N[C@H](C)c2csc3ccccc23)CC1 732246501 OETSFAPUUAMJQU-CYBMUJFWSA-N 314.454 4.570 30 20 DJED CC(=NNc1c(F)cccc1F)c1cccc(C(F)(F)F)c1 735615565 ORUSDRFTGCAGMV-UHFFFAOYSA-N 314.257 4.820 30 20 DJED Cc1ccc(-c2cnc(CON=Cc3ccccc3C)o2)cc1 760417166 SLBCGQSYLFPOQG-UHFFFAOYSA-N 306.365 4.509 30 20 DJED C=CC[C@H](N[C@H](C)c1cc2c(s1)CCCC2)c1ccncc1 766020391 OZRYVWQZWLKGSP-PBHICJAKSA-N 312.482 4.990 30 20 DJED CCCCCCC[C@H](C)N[C@@H](C)c1ccc([S@@](C)=O)cc1 768513239 HBCGVGPSKMRYRP-CKJXQJPGSA-N 309.519 4.824 30 20 DJED O=C(/C=C\c1ccc(Br)cc1Cl)c1ccco1 769769845 DAZWVJGSXODHSE-XQRVVYSFSA-N 311.562 4.592 30 20 DJED O=C(/C=C\c1ccc(F)cc1C(F)(F)F)c1ccsc1 771858717 KCHZEJROLHRXTE-RQOWECAXSA-N 300.276 4.802 30 20 DJED C#CC[C@H](N[C@H]1CC2(CCC2)Oc2ccccc21)c1ccccc1 773118153 YONVCMKEJMEUBZ-PMACEKPBSA-N 317.432 4.787 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2cc3ccccc3s2)c(F)c1 780189000 READXXUOYMZDIF-BQYQJAHWSA-N 307.349 4.808 30 20 DJED CC(C)N(Cc1ccc(OCC#N)cc1)[C@H](C)c1ccccc1 794686073 UFGSIXJYSMTXEY-QGZVFWFLSA-N 308.425 4.561 30 20 DJED CCC(CC)CN(CCC#N)Cc1ccc(Cl)nc1Cl 801519012 BUWJQULNWJJDFH-UHFFFAOYSA-N 314.260 4.540 30 20 DJED C=CCCCCCCNC(=O)N(C)[C@H](C)c1sc(C)nc1C 806005217 DCAMGDDPTRFUSF-CQSZACIVSA-N 323.506 4.599 30 20 DJED N#CC1(CSc2nc3ccccc3n2C(F)F)CCCC1 806586465 QLCFFDDCKHMESQ-UHFFFAOYSA-N 307.369 4.607 30 20 DJED N#Cc1ccc2c(c1)[C@@H](Nc1cccc(N3CCCCC3)c1)CC2 810230523 IIUVTDLRLCRERM-NRFANRHFSA-N 317.436 4.648 30 20 DJED CCC(=NNc1ncncc1Cl)C12CC3CC(CC(C3)C1)C2 811648540 MKVMAXLSODYHEH-UHFFFAOYSA-N 318.852 4.524 30 20 DJED CC(C)N(Cc1ccc(O[C@H](C)C#N)cc1)[C@H](C)c1ccccc1 814169339 GVTBVMQGDWZGNK-QZTJIDSGSA-N 322.452 4.949 30 20 DJED Oc1ccc(C2CCC(=NNc3cccc(Cl)n3)CC2)cc1 814939666 YFCFHLLOUDQOPF-UHFFFAOYSA-N 315.804 4.566 30 20 DJED C/C(=C\c1ccc(C)cc1)C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842942256 XBFLOYFYPWAKFU-LRFDDAOPSA-N 322.433 4.609 30 20 DJED C=CCC[C@H](N[C@H](C)c1cccc(OC)c1O)c1ccccc1 846156992 QYYILOQFUGFWAB-QAPCUYQASA-N 311.425 4.759 30 20 DJED C=CCCOc1ccccc1-c1ccc2c(c1)OCCC[C@@H]2O 854196413 YOPVTNWCWDJRMZ-SFHVURJKSA-N 310.393 4.515 30 20 DJED CCC(=NNc1cc(C)nc(C)n1)c1ccc(Cl)cc1Cl 915968401 VDEVKCPFPVBGLL-UHFFFAOYSA-N 323.227 4.626 30 20 DJED CC(=NNc1cccc(C(F)(F)F)c1)c1ccc(F)cc1F 916260168 QZYOKJHZLYDZNX-UHFFFAOYSA-N 314.257 4.820 30 20 DJED C[C@H](Nc1snc(Cl)c1C#N)c1ccc2c(c1)CCCC2 917011730 RVOUUAPFMWBEBA-JTQLQIEISA-N 317.845 4.720 30 20 DJED CCCOc1ccc(N=Cc2cc3ccccc3nc2O)c(C)c1 917558015 KWEDYOYEXPHTII-UHFFFAOYSA-N 320.392 4.788 30 20 DJED O=C(/C=C/c1ccc(OCC(F)(F)F)cc1)C1CCCCC1 921265667 OYEGROQIROSLKG-DHZHZOJOSA-N 312.331 4.790 30 20 DJED CCN(CCc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 1171427030 QOCIRYATILPFHT-UHFFFAOYSA-N 318.342 4.646 30 20 DJED C[C@]1(c2ccccc2)CC[C@H](N[C@@H]2CCc3cc(C#N)ccc32)C1 1181435403 COKICXZEMYZHAZ-NNWRFLSQSA-N 316.448 4.646 30 20 DJED Cc1cc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)ncc1C#N 1185365190 CCCYNEJDSFDIBU-ULFGMLNVSA-N 311.816 4.724 30 20 DJED Cc1ccc(C(C)(C)CNc2nc(C#N)c(Cl)s2)c(C)c1 1186565567 SLMXOLSPPFSZGK-UHFFFAOYSA-N 319.861 4.675 30 20 DJED CC(C)(C)[C@@H]1CN(CCc2ccc(C#N)cc2)c2ccccc21 1307728940 HWIKEWRYKGPFJJ-LJQANCHMSA-N 304.437 4.751 30 20 DJED CC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1 1342326673 RPPHYQVYFHMOPM-SGTLLEGYSA-N 300.352 4.638 30 20 DJED N#Cc1cccc(-c2nnc(-c3cc4cc(F)ccc4s3)o2)c1 1345952410 PMJXAFGBAIBSQY-UHFFFAOYSA-N 321.336 4.629 30 20 DJED C[C@@H]1CCCC[C@H]1C(=O)N(Cc1ccco1)c1ccccc1C#N 1354099528 OBLDXQASELQZHN-CRAIPNDOSA-N 322.408 4.511 30 20 DJED N#Cc1ccc(C(=O)Nc2ccccc2-c2cccs2)c(F)c1 1354388819 MLZJWXPDUNGXHT-UHFFFAOYSA-N 322.364 4.678 30 20 DJED C[C@H]1[C@@H](C)Sc2ccccc2N1Cc1ccc(F)c(C#N)c1 1473245045 WZCRGYFGAPPPKP-QWHCGFSZSA-N 312.413 4.587 30 20 DJED CC(C)(C)c1csc(NC(=O)c2ccc3c(c2)CCC3)c1C#N 1527546651 WXFLWMVFMAXLSF-UHFFFAOYSA-N 324.449 4.658 30 20 DJED Cc1ccc(C[C@H](C)Nc2nc(C(C)(C)C)ccc2C#N)s1 1559110811 PGDREZHMUCBACG-LBPRGKRZSA-N 313.470 4.664 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1cccc(OC(F)F)c1 1559427576 SLURBYFHHXFLFP-UHFFFAOYSA-N 323.726 4.701 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 1615387755 NRZDWQOMLAHTHV-BVPXEZJJSA-N 308.469 4.657 30 20 DJED C[C@H](c1ccc(-c2ccccc2)cc1)N(C)c1cccc(C#N)n1 1639543873 PWIXKXHQOREYBE-MRXNPFEDSA-N 313.404 4.818 30 20 DJED CC[C@@H]1CCCC[C@@H]1CNc1nc(C(F)(F)F)ccc1C#N 1642735295 YNMYJTSIDPDRIB-DGCLKSJQSA-N 311.351 4.600 30 20 DJED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCc1ccc(Cl)cc1 1653427816 PLIZLTKXMWHBHC-PMACEKPBSA-N 324.855 4.654 30 20 DJED N#Cc1ccc(CSc2nc3ccccc3s2)c(F)c1 11297090 MMLPWFDDEDNFHT-UHFFFAOYSA-N 300.383 4.599 30 20 DJED COc1ccc([C@H]2CCCCCN2Cc2ccc(C#N)cc2)cc1 15105552 QTNCJPVMRNAIFR-OAQYLSRUSA-N 320.436 4.684 30 20 DJED Cc1ccccc1-c1noc([C@H](C)Sc2ccccc2C#N)n1 75077312 CAVHXBFHGRYBJY-ZDUSSCGKSA-N 321.405 4.770 30 20 DJED O=C(/C=C/c1cnc(-c2cccs2)s1)c1cccs1 177609086 QBXBRDVDKTURBT-AATRIKPKSA-N 303.433 4.829 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2cccc(-c3ccccn3)c2)s1 255042797 YZUYJWSTTKXGEI-CLFYSBASSA-N 316.385 4.578 30 20 DJED Cc1nc(-c2ccccc2)sc1[C@H](C)NCCC(C)(C)C#N 273301346 NCZXYSPGYSATLR-ZDUSSCGKSA-N 313.470 4.709 30 20 DJED C=CCC[C@@H](Nc1nccc(C(F)(F)F)n1)c1ccccc1 301781646 NGAVBHPNUHFFKH-CYBMUJFWSA-N 307.319 4.615 30 20 DJED C[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1F 314844807 VULRNEOQLNGTDZ-SNVBAGLBSA-N 308.278 4.889 30 20 DJED CC1(C)CCCC[C@H]1C(O)=Nc1cccc([C@H]2CN=C(O)C2)c1 329886121 VQZDWUOLWFWMJC-ZBFHGGJFSA-N 314.429 4.935 30 20 DJED Cc1nc(C2CC2)oc1/C(O)=N/CC(C)(C)C1=CCCCC1 330117328 WWHYHWIRKCBOKO-UHFFFAOYSA-N 302.418 4.692 30 20 DJED N#CCCCC(=O)N[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 462402626 OJIAVLYMACXSJB-IAGOWNOFSA-N 318.848 4.566 30 20 DJED COc1ccc2oc([C@H](C)Nc3ccc(F)cc3C#N)c(C)c2c1 462826021 OHJZKQYCXUFEKV-LBPRGKRZSA-N 324.355 4.934 30 20 DJED C=CCOCCCC(=O)N[C@@H](CC(C)C)c1ccc(Cl)cc1 464066092 LCPWNGCGWPBLER-KRWDZBQOSA-N 323.864 4.526 30 20 DJED CCN(c1ccccc1)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 472126187 MNRTUUIIJBUDHI-RBUKOAKNSA-N 319.452 4.626 30 20 DJED C[C@H](CCSc1ccccc1)Sc1cc(C#N)ccn1 473688124 ZFEIUNOXSAOUGZ-CYBMUJFWSA-N 300.452 4.616 30 20 DJED CCc1c(C)sc(NC(=O)c2scc(C)c2Cl)c1C#N 485517360 RYWDLBBKGSXBDL-UHFFFAOYSA-N 324.858 4.766 30 20 DJED CCc1c(C)sc(NC(=O)c2cccc(C(F)F)c2)c1C#N 511974837 VSBWSLPYLJICGV-UHFFFAOYSA-N 320.364 4.681 30 20 DJED CC(C)(C#N)CCN(Cc1ccc(C(F)(F)F)cc1)C1CC1 536472923 VBUPMQPFNBXLAM-UHFFFAOYSA-N 310.363 4.610 30 20 DJED C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cccc(OCCCC#N)c1 537635952 DFJCRLKNWSIQTD-IMFGXOCKSA-N 312.457 4.522 30 20 DJED COCCCCCN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 541087080 WBXQDRCOTGFRSV-KRWDZBQOSA-N 322.452 4.693 30 20 DJED C[C@@H](NCc1ccc(CC#N)cc1)c1cccc(Cl)c1Cl 541324274 CNDAPNABAHVEHP-GFCCVEGCSA-N 319.235 4.910 30 20 DJED C=CC[C@H](C(=O)NC[C@H]1CCCCC(F)(F)C1)c1ccccc1 557322348 LRIGHSVBBKBORH-RDJZCZTQSA-N 321.411 4.678 30 20 DJED C=CCC[C@@H](N[C@@H]1CCOC2(CCCCC2)C1)c1ccco1 576287253 FPEGELYAZVOBGH-IAGOWNOFSA-N 303.446 4.758 30 20 DJED O=C(/C=C\c1cc(Br)c(Cl)s1)c1ccco1 588579962 RIFLOSGBPNUQII-ARJAWSKDSA-N 317.591 4.653 30 20 DJED C[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1 589572425 SSJPYGVETFQOKV-OAHLLOKOSA-N 315.376 4.919 30 20 DJED CC(C)(CC(F)(F)F)NCc1ccc(F)c(C(F)(F)F)c1 681985301 UMVLXEWXCUMARA-UHFFFAOYSA-N 317.248 4.665 30 20 DJED Cc1cc(/C=C2\C(=O)c3ccsc3S[C@H]2C)cc(C)c1O 742436062 FTKTVIUOMSZION-KSSSLANASA-N 316.447 4.831 30 20 DJED CCC(=NN[C@H](C)c1ccc(C(C)C)cc1)C1CCOCC1 745197337 QJYAXKWPRZQEGB-OAHLLOKOSA-N 302.462 4.653 30 20 DJED O=C(/C=C\c1sc2ccccc2c1Cl)c1ccnc(O)c1 752875580 IAKXQFGIWPYEQZ-WAYWQWQTSA-N 315.781 4.551 30 20 DJED Cc1ccc2c(Cl)c(C(=O)O[C@@H](C)C(C)(C)C#N)sc2c1 753613765 SWEYZQVIHOMQEU-JTQLQIEISA-N 321.829 4.958 30 20 DJED C#CCCCN[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C 766223835 UAZJPJDKDAAQOT-GFCCVEGCSA-N 318.873 4.836 30 20 DJED O=C1/C(=C/c2cccc(-c3cccnc3)c2)Cc2c(F)cccc21 768490476 PXTNFJQNAUXJIU-GZTJUZNOSA-N 315.347 4.710 30 20 DJED CC(C)(C#N)CCCCOC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 768607898 MSDQWUNPQIDCRN-CHWSQXEVSA-N 319.367 4.618 30 20 DJED C=C(Cl)CN[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 773003078 WMCXZBQMHFNKBQ-CYBMUJFWSA-N 322.836 4.669 30 20 DJED C#CC[C@H](N[C@H](C)c1ccc(OC(F)F)cc1)c1ccccc1 773104513 DPQHQJFPEGNAFL-KDOFPFPSSA-N 315.363 4.703 30 20 DJED N#C[C@@H](C(=O)C(C1CCC1)C1CCC1)c1ccc2ccccc2n1 796745840 CYRNZTPSCQKHGD-QGZVFWFLSA-N 318.420 4.627 30 20 DJED CCCOc1ccc(/C=C\C(=O)c2ccc(C)o2)cc1OCC 797184039 BQQNFCWZHBFLHX-CLFYSBASSA-N 314.381 4.672 30 20 DJED CC(C)(C)c1ccc(C(=O)/C=C/c2cc(F)ncc2F)cc1 806566219 XMRRVPBWAHULPU-RMKNXTFCSA-N 301.336 4.553 30 20 DJED N#CCCCCCC(=O)Oc1ccc(Cl)c(C(F)(F)F)c1 808009670 QHOCHJLATVJXRA-UHFFFAOYSA-N 319.710 4.738 30 20 DJED Cc1cc(/C=C\C(=O)c2nccc3ccccc23)cc2cccnc12 811699515 SUEIRVJYAQSJSS-HJWRWDBZSA-N 324.383 4.988 30 20 DJED C=CCC1(CNC(=S)Nc2c(C)cccc2C)CCCC1 840813664 RZBTYYCSDSBDSP-UHFFFAOYSA-N 302.487 4.726 30 20 DJED C[C@H](CCC(=O)[C@@H](C#N)c1nc(C2CC2)cs1)c1ccccc1 842940982 MBNJFBRMKRUWEO-CZUORRHYSA-N 324.449 4.781 30 20 DJED CC[C@H](CC(=O)[C@H](C#N)c1nc(C2CC2)cs1)c1ccccc1 842942957 RQZMELHQCHWGEA-CJNGLKHVSA-N 324.449 4.781 30 20 DJED CCCCCCCCC(=O)N(Cc1ccco1)c1ccccn1 916051191 DYOPTYOQYZBCPM-UHFFFAOYSA-N 314.429 4.958 30 20 DJED CCCc1ccc(C(=O)/C=C\c2ccc(OC)c(OC)c2)cc1 916133868 QKJYZQPLZWIQCK-WQLSENKSSA-N 310.393 4.552 30 20 DJED Cc1c(C(=O)O[C@H]2CCC[C@@H](C#N)C2)oc2ccc(Cl)cc12 1129608257 BNETWSRMIUDQOF-YPMHNXCESA-N 317.772 4.634 30 20 DJED N#Cc1cc2c(nc1OCc1ccccc1C1CC1)CCCCC2 1189967856 HFZBKRVSEVTRRY-UHFFFAOYSA-N 318.420 4.679 30 20 DJED C[C@H](Nc1ccc(F)cc1C#N)c1ccc(F)cc1OC(F)F 1253934304 DAQSKNYUXVKRSK-VIFPVBQESA-N 324.277 4.611 30 20 DJED CCC[C@H](C(=O)N(Cc1ccc(C#N)cc1)CC(C)C)C(C)C 1264439947 NSYGYTCNGQRNNR-IBGZPJMESA-N 314.473 4.615 30 20 DJED CC(C)[C@@H]1CCCCCN1C(=O)C[C@@H](CC#N)c1ccccc1 1266690702 BKECJUAQAKAEHZ-MOPGFXCFSA-N 312.457 4.501 30 20 DJED C[C@H](CC#N)N(C)Cc1ccc(-c2cc(Cl)ccc2Cl)o1 1319703064 XYVNZTFIGQVJEI-LLVKDONJSA-N 323.223 4.987 30 20 DJED CC[C@H](C)c1ccc([C@@H](C)NCc2cccc(OCC#N)c2)cc1 1331296388 JHWANLTVZOKSBJ-DLBZAZTESA-N 322.452 4.953 30 20 DJED C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(C)(C)C 1349985294 RSOLINWQSZGXAH-OAHLLOKOSA-N 320.436 4.673 30 20 DJED N#Cc1cccc(NC(=O)CCCc2ccc3ccccc3c2)c1 1351937463 YBWFDNCQSGCPFE-UHFFFAOYSA-N 314.388 4.673 30 20 DJED CCc1cc(C#N)c(NC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)s1 1358293642 LJEFIKFYPGKEPI-QWHCGFSZSA-N 318.486 4.973 30 20 DJED Cc1cc(C#N)ccc1COc1cccc(C)c1Br 1473079767 YKUVJOBUXGJULO-UHFFFAOYSA-N 316.198 4.517 30 20 DJED CN(Cc1ccc(C#N)cc1F)[C@@H]1CCCC[C@H]1c1ccccc1 1474580607 ZNBDYYTWDQXHHT-PZJWPPBQSA-N 322.427 4.856 30 20 DJED Cc1ccccc1CCNc1c(C#N)cnc2c(Cl)cccc12 1559131098 IQKZARWANBOJIN-UHFFFAOYSA-N 321.811 4.723 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)C1 1583559013 BYEJZLMYXWVBTR-YGBSJELFSA-N 319.404 4.569 30 20 DJED C[C@@]1(C#N)CCCN(Cc2ccc(Sc3ccccc3)cc2)C1 1621196801 OFIMEXIJRCXGMM-FQEVSTJZSA-N 322.477 4.963 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(C#N)cc1 1622712191 VQKMHFZPPFXACE-NVXWUHKLSA-N 313.445 4.532 30 20 DJED N#Cc1cccnc1N[C@@H]1CCc2ccc(-c3ccccc3)cc21 1639816029 KKTREXRJCPEIRW-HXUWFJFHSA-N 311.388 4.720 30 20 DJED N#Cc1nc(N[C@@H]2CCCc3ccc(Cl)cc32)ccc1Cl 1651299042 KGDVDYSGGSCUPV-CQSZACIVSA-N 318.207 4.750 30 20 DJED N#C[C@@H](Sc1nc(-c2cccs2)nc2ccccc12)C1CC1 1652376804 LPRHXGWRFBNSLU-OAHLLOKOSA-N 323.446 4.753 30 20 DJED CC[C@H]1CN(Cc2ccc(C#N)cc2C)CC[C@H]1c1ccccc1 1657515591 PGGLQWFUQGJTFV-SIKLNZKXSA-N 318.464 4.882 30 20 DJED CC(C)(C)c1ccc2c(c1)CCN2Cc1cccc(F)c1C#N 1657855814 VYQLOIFEGCXIHL-UHFFFAOYSA-N 308.400 4.558 30 20 DJED Cc1ccc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1Cl 1658899436 QPHNCOXYDLTFPP-QUCCMNQESA-N 324.855 4.920 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)c2cc(Cl)ccc2F)cc1 29151189 UIJMJCLKKFFESU-UHFFFAOYSA-N 316.763 4.533 30 20 DJED Cc1ccc(C)c([C@H]2CCCN2C(=O)Nc2ccc(C#N)cc2)c1 127756418 GRGDZKFICWIOQS-LJQANCHMSA-N 319.408 4.544 30 20 DJED CCN(CC)c1ccc(CN[C@H](CCC#N)c2ccccc2)cc1 130605032 UEJGCRGATUSFLK-OAQYLSRUSA-N 321.468 4.667 30 20 DJED C[C@H](NCc1ccccc1C(C)(C)C#N)c1ccccc1Cl 135101622 RNCXAVPKWKLMET-AWEZNQCLSA-N 312.844 4.992 30 20 DJED C=CCC(CC=C)C(=O)Nc1cnccc1-c1cccc(F)c1 152934840 XYUINRCPSKKWOY-UHFFFAOYSA-N 310.372 4.595 30 20 DJED CC(C)OCc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)cc1 177555878 SZKYTNZDBGXKLZ-MRXNPFEDSA-N 324.424 4.515 30 20 DJED C=CCCC[C@H](C)NC(=O)C[C@@H](c1ccccc1)C(F)(F)F 182632009 ZCNFHHPCPONIGF-ZFWWWQNUSA-N 313.363 4.584 30 20 DJED C=CCC[C@H](C(=O)Nc1cc(C#N)ccc1C)c1ccccc1 187264847 KPFHCKOOUWVTGD-SFHVURJKSA-N 304.393 4.555 30 20 DJED O=C(/C=C\c1ccccc1F)c1ccc(N2CCCCC2)cc1 210428115 JOWOPACGTHTYSS-RAXLEYEMSA-N 309.384 4.712 30 20 DJED COc1cc(/C=C\C(=O)c2cccc(C)c2)ccc1OC(F)F 210608941 GPYQFTQJERWSOS-VURMDHGXSA-N 318.319 4.501 30 20 DJED Cc1ccccc1[C@@H]1C[C@H](C)N([C@H](C)c2ccc(C#N)cc2)C1 303753260 MILMOJRTRQJEAH-SQGPQFPESA-N 304.437 4.806 30 20 DJED C=C(Cl)COc1cc(Br)cc(C(F)(F)F)c1 309331011 SSLKDMICGWXMPS-UHFFFAOYSA-N 315.516 4.599 30 20 DJED CC1(C)CCC[C@@H](/C(O)=N/[C@@H]2CCC(O)=N[C@H]2C(C)(C)C)C1 329289958 QKZKPCHZKAFPSS-UMVBOHGHSA-N 308.466 4.693 30 20 DJED CC(O)=Nc1ccc(F)c(/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 329615210 FGUNPJNTSLMCIX-MELADBBJSA-N 318.392 4.707 30 20 DJED CC1(CC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 428077656 XQEVDVMRLXXPSD-UHFFFAOYSA-N 324.355 4.618 30 20 DJED CC(C)CCc1noc(CS[C@H](C)c2cccc(C#N)c2)n1 443146694 ULHUNSJYDZWKNG-CYBMUJFWSA-N 315.442 4.524 30 20 DJED CC(C)(C#N)CCCCN[C@H](CC(F)(F)F)c1ccccc1 444668090 DKGAYUIEAMINRO-OAHLLOKOSA-N 312.379 4.990 30 20 DJED CC(C)(CCC#N)CN[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 449330419 LCSJBXFUUJWEIE-DOTOQJQBSA-N 304.865 4.896 30 20 DJED CC(C)=CCC[C@H](C)NC(=O)Nc1ccc(CC#N)cc1Cl 455732323 MHFRIBUGIGKEFD-ZDUSSCGKSA-N 319.836 4.662 30 20 DJED Cc1nc(C)c(CSCc2ccccc2C(C)(C)C#N)s1 486757143 AJPQCBFVAPRMNW-UHFFFAOYSA-N 316.495 4.995 30 20 DJED CC[C@H](NCc1ccc(C#N)c(C)c1)c1ccc(Cl)s1 488316135 RUNUUXGQNAACFY-AWEZNQCLSA-N 304.846 4.823 30 20 DJED CC[C@@](C)(C#N)NC(=O)c1cc2sc3ccccc3c2s1 522868771 FIPSTAIXKNHMGS-INIZCTEOSA-N 314.435 4.538 30 20 DJED CC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1cc(F)ccc1F 537406618 HKERUERHMAHUFM-ZMZPIMSZSA-N 318.342 4.777 30 20 DJED N#CCc1ccc(N[C@H]2CC=C(c3ccc(F)cc3)CC2)cc1 545549011 BOMXWTHEXMWQAF-FQEVSTJZSA-N 306.384 4.940 30 20 DJED COc1ccc(CN(CCCC(C)(C)C#N)C(C)(C)C)cc1 571054433 PWNHTYZAOGMPND-UHFFFAOYSA-N 302.462 4.626 30 20 DJED CC(C)n1c([C@@H]2CCCN2C[C@@H](C)CCC#N)nc2ccccc21 602471819 JGAPSEZQKWAYCH-LPHOPBHVSA-N 324.472 4.694 30 20 DJED C=CCCCSCCC(=O)Nc1ccc(Cl)cc1F 609805095 PSWXJVCPZYBDBH-UHFFFAOYSA-N 301.814 4.507 30 20 DJED CC(C)c1ccc(C[S@@](=O)CCCCC#N)c(C(C)C)c1 610284848 NNWAPRCNENSSEE-NRFANRHFSA-N 305.487 4.876 30 20 DJED Cc1ccc(-c2ccc(C(=O)OCCCC#N)c(F)c2)cc1C 730631255 MIMWFXSSAUHJFM-UHFFFAOYSA-N 311.356 4.570 30 20 DJED CCCCN(Cc1ccc(OCC#N)cc1)[C@@H](C)c1ccccc1 731211973 LNBSWLHYHNTATJ-SFHVURJKSA-N 322.452 4.952 30 20 DJED Cc1ccc(-c2nc(/C=C3\Cc4c(C)cccc4C3=O)co2)cc1 749891562 MWUBUZSWXKLHOT-MHWRWJLKSA-N 315.372 4.781 30 20 DJED CCCCCCCC(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 751204429 ZACQRLKRUMWCJM-JKSUJKDBSA-N 323.502 4.523 30 20 DJED C=CCCCC(=O)OCc1nc(C)c(-c2ccc(Cl)cc2)o1 757088652 DRQMMKSGKVYOJT-UHFFFAOYSA-N 319.788 4.703 30 20 DJED CCc1nc2ccccc2n1N=Cc1cccc(Cl)c1Cl 767358850 DZEYKZXTFPDPFX-UHFFFAOYSA-N 318.207 4.788 30 20 DJED C=C(C)[C@@H](NC(=O)C=C1CCCCC1)c1ccc(F)c(F)c1 772331911 HXOBBBOOQWXEBS-GOSISDBHSA-N 305.368 4.589 30 20 DJED C#CCCCCCC(=O)Nc1c(CC)ccc(Cl)c1CC 779725227 PJGNUXGVVFDSEN-UHFFFAOYSA-N 305.849 4.987 30 20 DJED N#Cc1ccc(Cl)c(C(=O)Oc2cccc3ccccc23)c1 794841377 SJNRFPYZAFSQER-UHFFFAOYSA-N 307.736 4.584 30 20 DJED FCC[C@H]1CCCC1=NOCc1ccc(C(F)(F)F)cc1 794924137 VCUHAIASFDOZIT-GFCCVEGCSA-N 303.299 4.738 30 20 DJED Cc1ccc2cc(C(=O)/C=C\c3cccc(F)c3C#N)oc2c1 811690920 IIIOEYKISPDTHY-FPLPWBNLSA-N 305.308 4.648 30 20 DJED CCc1ccc(C(=O)/C=C/C(C)=C\c2ccccc2COC)o1 814190621 UILXERMLIIEDEG-NYWYOEKOSA-N 310.393 4.831 30 20 DJED Cc1c(C(=O)/C=C/c2cccc(Cl)c2)cnn1-c1ccccc1 818253654 VZBDTJIERKWWPT-ZHACJKMWSA-N 322.795 4.730 30 20 DJED C[C@@H](NN=C1CC[C@H](c2cccc(Cl)c2)C1)C(F)(F)F 841639863 HECBWGQKWYIUKP-KOLCDFICSA-N 304.743 4.504 30 20 DJED C=CCCCC[C@@H](C)N[C@H](C(=O)O)c1cccc2ccccc12 902566401 VAYKFRZPPCPOGK-BEFAXECRSA-N 311.425 4.690 30 20 DJED CCc1ccc(-c2noc([C@H](C)Cc3ccc(C#N)cc3)n2)cc1 904574714 RYCPBGIRUUHOCU-CQSZACIVSA-N 317.392 4.517 30 20 DJED C=CCC(C)(C)c1nc(-c2ccc(N3CCCCC3)cc2)no1 904614441 KHDJVBIAZKBYGK-UHFFFAOYSA-N 311.429 4.581 30 20 DJED C#Cc1cccc(NC(=O)N[C@H](C)c2cccc3ccccc23)c1 915340133 AYKBQFZJNTWBBL-OAHLLOKOSA-N 314.388 4.704 30 20 DJED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1coc2ccccc12 925927116 YMQOIUIBBLBIJL-CQSZACIVSA-N 302.377 4.644 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CC/C=C/c1ccccc1 1129983538 FIEKQELJGBBBAN-CEUCYRDJSA-N 318.420 4.571 30 20 DJED CC(C)O[C@@H](CN(C)[C@@H](C)c1cccc(C#N)c1)c1ccccc1 1171399196 AKTUMQRHUPEWHW-UWJYYQICSA-N 322.452 4.717 30 20 DJED CCC1CCC(N(Cc2ccc(C#N)c(OC)c2)C2CC2)CC1 1180275490 SHIAUZUUFRJAEU-UHFFFAOYSA-N 312.457 4.500 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1CCc1ccccc1Cl 1191157379 XSEKOEFVSLWXRP-UYAOXDASSA-N 324.855 4.654 30 20 DJED C[C@@H](OC(=O)c1cc2ccccc2s1)c1cccc(C#N)c1 1435508724 MTBYDUDDCHZMAE-GFCCVEGCSA-N 307.374 4.691 30 20 DJED N#Cc1cc(F)ccc1CN1C[C@@H]2CCCC[C@]21c1ccccc1 1459678323 XYGNSCLGXAIOIK-FPOVZHCZSA-N 320.411 4.599 30 20 DJED CCN(C[C@@H]1CCc2ccccc21)[C@@H](C)c1ccc(C#N)cc1 1461957534 WVGYBRHOPJQPNJ-JXFKEZNVSA-N 304.437 4.671 30 20 DJED CCCc1ccc([C@@H](Nc2cc(C#N)nc(CC)n2)C(C)C)cc1 1611923782 KRUIWSRATBHWKX-FQEVSTJZSA-N 322.456 4.672 30 20 DJED CCOC(=O)c1cccc(S[C@@H](C)c2ccc(C#N)cc2)c1 1613757059 NJMINMCEFPYXSZ-ZDUSSCGKSA-N 311.406 4.588 30 20 DJED CC[C@@H](C)c1ccc(C(=O)N(CCC#N)CCC(C)C)cc1 1628456623 BZLLKJZQPQIUAA-MRXNPFEDSA-N 300.446 4.602 30 20 DJED N#Cc1ccc(CCN2C[C@H](c3ccccc3)c3ccccc32)cc1 1642921332 MHKGCKTZHWLDLP-JOCHJYFZSA-N 324.427 4.753 30 20 DJED C=C(Br)CN(Cc1ccc(CC)cc1)CC(C)C 1643546098 NMYADMIOVROPDU-UHFFFAOYSA-N 310.279 4.616 30 20 DJED N#Cc1ccc(SCC2CC(F)(F)C2)cc1C(F)(F)F 1643819355 NUEOFBUFLVKVSR-UHFFFAOYSA-N 307.287 4.714 30 20 DJED CCCC[C@H](CC)CNc1c(Br)cccc1C#N 1654948588 OZBHGQCQLULWGY-LBPRGKRZSA-N 309.251 4.949 30 20 DJED C[C@]1(CN[C@H]2CCCc3cc(C#N)ccc32)C[C@@H]1c1ccccc1 1665022153 LTFQWMQDZDCYTO-BHIFYINESA-N 316.448 4.719 30 20 DJED N#Cc1ccccc1-c1ccc(COc2ccc(C=O)cc2)cc1 23444391 KVKHHUYQEWXELI-UHFFFAOYSA-N 313.356 4.617 30 20 DJED Cc1ccc(-c2nnc([C@H](C)Sc3ccc(C#N)cc3)o2)cc1 79647883 OUVVUVZBWIRNLH-ZDUSSCGKSA-N 321.405 4.770 30 20 DJED CC[C@H](C(=O)[C@H](C#N)c1nc(C(C)C)cs1)c1ccccc1 80459273 WPDPBLWAGCXBJM-GJZGRUSLSA-N 312.438 4.637 30 20 DJED C=CC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 110359630 VYZSZLRHTXMSTM-ZIAGYGMSSA-N 324.251 4.522 30 20 DJED CCCCCCCC(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 145555775 VXJRACCTQDDAGK-QUCCMNQESA-N 317.473 4.631 30 20 DJED C=CCCC[C@H](C)NC(=O)Nc1cccc(-c2nc(C)co2)c1 179682576 OGGOVJPNKMRHSP-ZDUSSCGKSA-N 313.401 4.516 30 20 DJED CCCCOc1cccc(N[C@@H](C)c2ccc(OCC#N)cc2)c1 180061927 OKJZIYCZELAARZ-INIZCTEOSA-N 324.424 4.941 30 20 DJED CCCC(=O)Nc1cccc(N[C@@H](C)c2cccc(C#N)c2)c1C 180173630 XOMGERUQLFTOAH-HNNXBMFYSA-N 321.424 4.778 30 20 DJED C=CCCO[C@H](C)C(=O)Nc1c(CCC)cccc1C(C)C 191528026 BDKURTABJBATNS-OAHLLOKOSA-N 303.446 4.682 30 20 DJED Cc1cccc(C(=O)/C=C\c2cc(Br)cs2)c1 210608601 CMXOMCBMFGQNGS-WAYWQWQTSA-N 307.212 4.715 30 20 DJED C#CCCOc1ccc(CN[C@H](C)c2cc3ccccc3o2)cc1 237513254 PZQQSMPHYLWVRE-MRXNPFEDSA-N 319.404 4.686 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCC[C@@H](C)C1 247088526 ULTVXHGZWQVYIV-KFWWJZLASA-N 316.470 4.703 30 20 DJED C=CC[C@H](CC)NC(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C 281339153 LTZZGUSEOSLRTO-KBPBESRZSA-N 323.506 4.632 30 20 DJED CC(O)=Nc1nc(/C(O)=N/[C@H]2CCCCC23CCCC3)cs1 329630678 QYZGFUNJIFXIHE-ZDUSSCGKSA-N 321.446 4.559 30 20 DJED C[C@@H]1CC[C@H](/N=C(/O)[C@@H]2CCC(=O)c3cccn32)c2ccccc21 329883821 ROHDQCRSVXQRQE-SKDZVZGDSA-N 322.408 4.601 30 20 DJED CC[C@@H](CC(F)F)C(=O)Nc1sc(C(C)(C)C)cc1C#N 411007429 NPMWDDKUQMAGCH-VIFPVBQESA-N 314.401 4.537 30 20 DJED N#C[C@H]1CC[C@@H](NCC2(c3c(Cl)cccc3Cl)CCC2)C1 442866202 VXRQLTROMMGDSF-QWHCGFSZSA-N 323.267 4.697 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc(SC)cc1OC 446406954 VDEHJJXQXQUOSO-UHFFFAOYSA-N 322.474 4.627 30 20 DJED CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1SC[C@@H](C)C#N 448937196 KPQYWCGUSFFICO-ZNMIVQPWSA-N 316.470 4.703 30 20 DJED C=C(C)[C@@H](NC1CCC(C)(C#N)CC1)c1ccc(F)c(F)c1 449253302 YLAREMORQMQZGX-ZCDVPAHGSA-N 304.384 4.644 30 20 DJED CC1(C#N)CCC(NCCCCc2ccc(Cl)s2)CC1 449311798 KXRFWAJYFFVYFL-UHFFFAOYSA-N 310.894 4.786 30 20 DJED CC(C)(C)c1csc(CNc2ccc(CC#N)cc2Cl)n1 453126036 KIJTYLBGIYQWHZ-UHFFFAOYSA-N 319.861 4.772 30 20 DJED C=C[C@H](C)NC(=O)Nc1cccc(CSC2CCCC2)c1 465252124 IZZAELDGXAGLMZ-ZDUSSCGKSA-N 304.459 4.558 30 20 DJED C=CC[C@@H](CC)NC(=O)N(C)[C@H](c1ccc(F)cc1)C(C)C 466406805 YXKPXIQZSZVWGT-SJORKVTESA-N 306.425 4.519 30 20 DJED C=CCCC[C@H](C)NCc1cc(-c2ccncc2)ccc1OC 479458586 UMRWUEGTZRQBEG-INIZCTEOSA-N 310.441 4.592 30 20 DJED N#Cc1cccc(COc2cc(C(F)(F)F)ccc2Cl)c1 480513965 DTLWRALRXQAIKU-UHFFFAOYSA-N 311.690 4.809 30 20 DJED C=CCN(C(=O)c1cccc(OCC(C)C)c1)c1ccccc1 484254137 LEGWEIXMKUKQAZ-UHFFFAOYSA-N 309.409 4.554 30 20 DJED C=C(C)CN(C)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 498232184 UOMWEGYKBJWFJE-UHFFFAOYSA-N 323.314 4.614 30 20 DJED C=CCCC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 522485643 VCRWSTMZLDOBGU-UHFFFAOYSA-N 300.427 4.640 30 20 DJED C=C(C)[C@H](CC(=O)Nc1ccccc1Nc1ccccc1)OCC 538607044 WLRFZFUPRGTZGS-IBGZPJMESA-N 324.424 4.740 30 20 DJED C[C@@H](NCc1cccc(C#N)c1F)c1cccc2ccccc12 540342941 QIJTZSYPOGVOPQ-CQSZACIVSA-N 304.368 4.701 30 20 DJED N#CCc1ccc(CSCc2coc(-c3ccccc3)n2)cc1 541293926 DWNFADHKPDAFCK-UHFFFAOYSA-N 320.417 4.841 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1ccc(C(C)C)s1 546223900 YJWDQUFDWIFQAV-UHFFFAOYSA-N 306.475 4.664 30 20 DJED Cc1ccc(C)c(SCc2noc(-c3cccc(C#N)c3)n2)c1 546933424 OKIFSLWITWXKKN-UHFFFAOYSA-N 321.405 4.517 30 20 DJED Cc1cc2cc(C(=O)N[C@](C)(C#N)C3CCCCC3)oc2cc1C 550351012 SVWCQPSCWWFZSV-HXUWFJFHSA-N 324.424 4.642 30 20 DJED C=CCC(F)(F)c1nc(-c2ccc(Cl)c(Cl)c2)no1 551329386 NUXMWVPBEKMIHR-UHFFFAOYSA-N 305.111 4.711 30 20 DJED N#Cc1c(F)cccc1NCCCCCOC1CCCCC1 554263036 GWAHJXAUJWZZAM-UHFFFAOYSA-N 304.409 4.629 30 20 DJED C=C1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)c2)CC1 555889285 OSTMFKYUSFNJCL-UHFFFAOYSA-N 317.841 4.861 30 20 DJED Cc1ccc([C@H]2CCCCN2c2nccc(C#N)c2Cl)cc1 576846666 DOAJVFLXRYOCSK-MRXNPFEDSA-N 311.816 4.647 30 20 DJED Cc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)ccc1Cl 579288595 GQPJJGKPYAZIOX-LJQANCHMSA-N 310.828 4.687 30 20 DJED N#CCCC1CCN(Cc2cnc(C3CCCCC3)s2)CC1 579960310 IFXSIDOSUJDAAS-UHFFFAOYSA-N 317.502 4.707 30 20 DJED CCN(Cc1ccc2ccccc2c1)C(=O)CCCCCC#N 588279307 QOKVDMJCXXZJLY-UHFFFAOYSA-N 308.425 4.662 30 20 DJED CC(C)c1cccc(-c2ccc(C(=O)N(C3CC3)[C@@H](C)C#N)o2)c1 598134757 YGTMGJIJQQBLSU-AWEZNQCLSA-N 322.408 4.587 30 20 DJED N#Cc1ccc(CNCc2ccc(Cl)c(C(F)(F)F)c2)cc1 608982425 QIEGUWHXBGIBHL-UHFFFAOYSA-N 324.733 4.520 30 20 DJED C[C@H](NC[C@@H]1CCCC[C@H]1C(F)(F)F)c1ccc(C#N)cc1 610503673 IAYMASNXDRRKDB-VBNZEHGJSA-N 310.363 4.578 30 20 DJED C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)CCC2 619755045 RMBLQPRQEIMKHC-CYBMUJFWSA-N 310.828 4.551 30 20 DJED C#Cc1cccc(N(C)C(=O)c2sc3ccc(F)cc3c2C)c1 728481732 SMNPQSHTUGXTJZ-UHFFFAOYSA-N 323.392 4.607 30 20 DJED CCc1oc2ccccc2c1/C=C/C(=O)c1ccc(O)c(OC)c1 730577283 FJISFFSKYAATJD-PKNBQFBNSA-N 322.360 4.606 30 20 DJED CC(=NNc1cc(C)ncn1)c1cc2c(ccc3ccccc32)o1 731935431 YPOVLAYSLVPYBY-UHFFFAOYSA-N 316.364 4.521 30 20 DJED Cc1ccc(-c2ncc(C=NN[C@@H](C)c3ccccc3)s2)cc1 734295905 KQIUIFZAYBDLJL-HNNXBMFYSA-N 321.449 4.803 30 20 DJED Fc1cc(NN=Cc2ccccc2C(F)(F)F)cc(F)c1F 747641652 BVMFRDHTGOEUQA-UHFFFAOYSA-N 318.220 4.569 30 20 DJED CCn1nc(C)c(/C=C/C(=O)c2cc3cc(C)c(C)cc3o2)c1C 749132010 JAMVAGMOJXRIFO-BQYQJAHWSA-N 322.408 4.779 30 20 DJED C#CCN(CC)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 749225914 PSTXXORORHGIFK-UHFFFAOYSA-N 306.369 4.589 30 20 DJED Cc1cc2ccccc2nc1NN=C[C@H]1CCOc2ccccc21 776782859 LYPJGBVZNXQIFB-MRXNPFEDSA-N 317.392 4.507 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N1CCC[C@@H]1c1ncc[nH]1 777452961 JIZFBINBGHYBBM-DLBZAZTESA-N 319.493 4.850 30 20 DJED CCCCCCCCCCC(=O)N1CCC[C@H]1C1CCOCC1 777493855 JYOYVYVIBXBXBS-IBGZPJMESA-N 323.521 4.935 30 20 DJED CC(=NNCc1cnc2ccccc2c1)C1CCC(F)(F)CC1 788718781 YKNDCLODDWMBDW-UHFFFAOYSA-N 317.383 4.526 30 20 DJED O=C1/C(=C/c2ccc(C(F)F)cc2)CCOc2ccccc21 794942634 QBWDGFLDMSQXIB-SDNWHVSQSA-N 300.304 4.673 30 20 DJED CC[C@@](C)(C#N)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 807922013 GZBXSBHKLRBCKA-SFHVURJKSA-N 306.369 4.980 30 20 DJED Cc1ccsc1C(Cc1ccccc1)=NOC/C=C/Cl 811667964 IACHVRWAAGLYRR-KBXSACIMSA-N 305.830 4.772 30 20 DJED COc1cccc2c1C/C(=C/c1cscc1C(F)(F)F)C2=O 811694536 WRJYQEQDVVUGDB-UITAMQMPSA-N 324.323 4.598 30 20 DJED CC(C)(CCC#N)COC(=O)c1csc(C2CCCCC2)n1 842349797 NZJDCTBZTBBBLI-UHFFFAOYSA-N 320.458 4.678 30 20 DJED CCCCCCCCCC(=O)N1CCC[C@H]1[C@H]1CCCOC1 843922206 AWLLMLBJKAWQKT-ROUUACIJSA-N 309.494 4.545 30 20 DJED CC(CCCCC#N)=NNc1nc2ccc(Cl)cc2s1 853438463 CCAXUQAJALUUEW-UHFFFAOYSA-N 306.822 4.821 30 20 DJED CCCCCCCCCC(=O)N(C)c1nc2ccccc2o1 918563933 QLGNTMUAIWPINM-UHFFFAOYSA-N 302.418 4.931 30 20 DJED CCCCCOc1ccc(OC(=O)C2(C#N)CCCCC2)cc1 920017158 CBHRXVPFCZZTBJ-UHFFFAOYSA-N 315.413 4.635 30 20 DJED CCC/C(C)=C/C(=O)Nc1sc(-c2ccccc2)cc1C#N 920223014 YEYWFRBBVSZVBH-JLHYYAGUSA-N 310.422 4.972 30 20 DJED C[C@H](NN=Cc1cc(Cl)ccc1OC(F)F)c1ccccc1 920382193 DRKFJKBFOCRHOY-NSHDSACASA-N 324.758 4.626 30 20 DJED CC1(C)CCCC[C@@H]1CC(=O)Nc1ccc(C#N)cc1Cl 1127041913 FBBSNBFDOQUFNF-CYBMUJFWSA-N 304.821 4.757 30 20 DJED CC(C)[C@H](OC(=O)c1ccc(C#N)o1)c1ccc2c(c1)CCCC2 1130836739 BWJDDMFGEFTVBI-IBGZPJMESA-N 323.392 4.584 30 20 DJED CC(C)CC[C@H](NCc1ccc(OCC#N)cc1)C(C)(C)C 1192594270 HBRWTWVVGGAFSH-SFHVURJKSA-N 302.462 4.529 30 20 DJED CC[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(F)cc1C#N 1307502315 YDHPBHUVUXPRBV-RTWAWAEBSA-N 322.427 4.856 30 20 DJED CCc1cc(C#N)c(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)s1 1355622682 WMELEJBMJWSHNM-DAXOMENPSA-N 316.470 4.727 30 20 DJED Cc1ccccc1[C@H](Nc1ccnc(C#N)n1)C1CCC(C)CC1 1458468334 JIXUIRSKCGTJNT-QJXPYNDKSA-N 320.440 4.636 30 20 DJED C=C(Cl)CSc1nccn1-c1c(CC)cccc1CC 1458944321 QKRXCBAFHLKAPQ-UHFFFAOYSA-N 306.862 4.842 30 20 DJED Cc1c(Cl)cnc(N(CCC(C)C)C2CCCC2)c1C#N 1472673603 XGBVTWDEAGEUAO-UHFFFAOYSA-N 305.853 4.710 30 20 DJED Cc1cc(N2CCC[C@H](CCCc3ccccc3)C2)c(C#N)cn1 1472736068 SVRVJFGRDXFKPC-IBGZPJMESA-N 319.452 4.501 30 20 DJED Cc1cc(C#N)ccc1CN(C)[C@@H]1CCC[C@@H]1c1ccccc1 1473539537 QVIINCJDQSSIKZ-NHCUHLMSSA-N 304.437 4.635 30 20 DJED C[C@@H]1c2c(sc(NC(=O)C3CC(C)(C)C3)c2C#N)CC[C@H]1C 1524031077 RVHFXVORHIWHGF-MNOVXSKESA-N 316.470 4.680 30 20 DJED C[C@H]1CC(C)(C)c2cccc(NC(=O)c3ccc(C#N)cc3F)c21 1535699778 SZQXNMOEIRIBFZ-LBPRGKRZSA-N 322.383 4.734 30 20 DJED CC1(C)C[C@@H](c2ccccc2)N(c2nc(C#N)c(Cl)s2)C1 1612519202 JBNLWLXWYUWICG-ZDUSSCGKSA-N 317.845 4.646 30 20 DJED Cc1cc(Sc2ccc(C#N)cc2)nc(-c2cccs2)n1 1639323366 ODPIACXODSGAKU-UHFFFAOYSA-N 309.419 4.536 30 20 DJED Cc1ccccc1[C@@H]1CCCN1c1nc(C(C)(C)C)ccc1C#N 1642110137 UTAKRNNUBZZMQW-SFHVURJKSA-N 319.452 4.901 30 20 DJED C[C@H]1C[C@H](c2ccccc2)CN1c1nc(C(C)(C)C)ccc1C#N 1642262363 HFMUMJVULWVNQN-YJBOKZPZSA-N 319.452 4.633 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1cc2c(C)cccc2[nH]1 1651946272 DYZMFQJXXBIOFT-UHFFFAOYSA-N 317.436 4.760 30 20 DJED C=C(CNC(=O)Nc1ccc(CCCC)cc1)c1ccccc1 1672398213 SXKFHTRHQDJPDC-UHFFFAOYSA-N 308.425 4.864 30 20 DJED CC(C)c1ccc(C(=O)/C=C/c2ccc(/C=C\C(=O)O)cc2)cc1 1776370494 PNRSHZVFDQEXNW-GUZOQHLSSA-N 320.388 4.804 30 20 DJED C[C@@H](Nc1ccc(OCC#N)cc1)c1ccc(F)c(Cl)c1 21017067 MUKWKHDBRSCMNI-LLVKDONJSA-N 304.752 4.555 30 20 DJED CC[C@@H](Nc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 21805014 KBEWXPHPRAJLAQ-QGZVFWFLSA-N 300.789 4.806 30 20 DJED C=CCN(C(=O)c1ccc2[nH]c(C)c(C)c2c1)c1ccccc1 40564150 HDFIOIIBYVZJDU-UHFFFAOYSA-N 304.393 4.618 30 20 DJED C=CCN(C(=O)[C@H]1C[C@H]1c1ccccc1Cl)c1ccccc1 71846385 ZVUPOUOHQPPCEQ-IRXDYDNUSA-N 311.812 4.663 30 20 DJED CCCCCCNC(=O)Nc1ccccc1SC[C@@H](C)C#N 78573168 QFORZDPCNKHAHS-AWEZNQCLSA-N 319.474 4.640 30 20 DJED CCC[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 192999031 OCMVBZYTMXOVGD-OXJNMPFZSA-N 308.425 4.781 30 20 DJED CC(C)(C)OC(=O)Nc1ccccc1NCc1cccc(C#N)c1 294244003 ADFCSMZGRUTECP-UHFFFAOYSA-N 323.396 4.517 30 20 DJED CC1CCC(C)(/N=C(/O)C2CCC(/N=C(/O)C3CC3)CC2)CC1 330031959 UIVLXVXWXBDPDV-UHFFFAOYSA-N 320.477 4.837 30 20 DJED Cc1cccc([C@@H](N[C@@H]2CC[C@H](C#N)C2)c2cccc(F)c2)c1 424329158 PHGJOBXURDZJCF-CWFSZBLJSA-N 308.400 4.505 30 20 DJED C=CC[C@H](C)NC(=O)Nc1cccc(Cl)c1SC(C)C 438256681 VRZDMWAXJORUGZ-NSHDSACASA-N 312.866 4.927 30 20 DJED N#Cc1ccc(CNc2cccc3ccccc23)c(OC(F)F)c1 439557028 JWFAMDBODOUYBX-UHFFFAOYSA-N 324.330 4.925 30 20 DJED N#Cc1ccc(Oc2ncnc3sc4ccccc4c23)c(F)c1 440663246 VBZWDNXXZCLBKH-UHFFFAOYSA-N 321.336 4.648 30 20 DJED C[C@@H]1C[C@@H](c2ccccc2F)N(CCCCC(C)(C)C#N)C1 444652656 SDPAVRPCZWJCQD-QAPCUYQASA-N 302.437 4.929 30 20 DJED CC[C@H](NCc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 447526750 CJGKERCVUMREMF-KRWDZBQOSA-N 318.342 4.818 30 20 DJED C[C@H](Cc1ccc(C(F)(F)F)cc1)NC1CCC(C)(C#N)CC1 449102193 XSBVLEZMSSHACY-NVPAJSRCSA-N 324.390 4.698 30 20 DJED CC(C)(CN[C@@H]1CCC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 463280971 FMJKCHHBMWQCPM-CZUORRHYSA-N 324.390 4.655 30 20 DJED CCCC[C@@H](CC)C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 463312416 SZHZTNFDFZAZAL-NVXWUHKLSA-N 300.446 4.684 30 20 DJED CC[C@]1(C)C[C@@H]1C(=O)Nc1sc(-c2ccccc2)cc1C#N 466294694 BCCRQTHAONLICN-RDTXWAMCSA-N 310.422 4.661 30 20 DJED N#Cc1c(NC(=O)c2ccc3sccc3c2)sc2c1CCC2 471099159 JFDWMAADHFSQKJ-UHFFFAOYSA-N 324.430 4.575 30 20 DJED C=CCN(CC=C)C(=O)[C@@H](C)S[C@H](CC)c1ccc(F)cc1 523389409 RQBHDZPRKKKXOL-RHSMWYFYSA-N 321.461 4.599 30 20 DJED C=C[C@H](CC(=O)N(C)c1ccc2ccccc2n1)c1ccccc1 534736332 SHAKDHYBFYTICT-MRXNPFEDSA-N 316.404 4.558 30 20 DJED CC(C)c1ccc([C@@H]2CCCN2C(=O)c2cccc(C#N)c2)cc1 536293110 YFETUAXPBQYXRC-FQEVSTJZSA-N 318.420 4.659 30 20 DJED CCC(CC)[C@@H](C)C(=O)N(CC)c1ccc(C#N)c(Cl)c1 538073738 KSMIDDGJRYPNIU-GFCCVEGCSA-N 306.837 4.637 30 20 DJED COc1cccc([C@H]2[C@H](c3ccccc3)CCN2CCCC#N)c1 544125422 IEMWAMNBPICOQB-SFTDATJTSA-N 320.436 4.530 30 20 DJED C=CCSc1ccccc1C(=O)N(C)Cc1sccc1C 549603673 APODWMQGJILZFJ-UHFFFAOYSA-N 317.479 4.607 30 20 DJED CC(C)(C)c1ccc(C(=O)N[C@](C)(C#N)C2CCCCC2)cc1 571713060 IYUCLZOTHHZBIN-HXUWFJFHSA-N 312.457 4.576 30 20 DJED C[C@H](c1ccccc1)N(C(=O)CC1(C#N)CCCCC1)C1CC1 596975576 SRAFPRZOAXXBET-MRXNPFEDSA-N 310.441 4.603 30 20 DJED N#Cc1cc(F)cc(NCc2ccc(Cl)c3cccnc23)c1 600857806 HSIPMWUAOSVKGP-UHFFFAOYSA-N 311.747 4.511 30 20 DJED C[C@@H](Sc1cc(C#N)ccn1)C(=O)c1ccc(C(C)(C)C)cc1 603726962 SDAQRCQKMZMLPH-CYBMUJFWSA-N 324.449 4.614 30 20 DJED COc1cccc(C(=O)/C=C\c2cnc(-c3ccccc3)s2)c1 727264331 QSZUFPFRCOYTPT-KHPPLWFESA-N 321.401 4.715 30 20 DJED C#Cc1cccc(N(CC)C(=S)Nc2cc(C)cc(C)c2)c1 728447596 JDVYLXBYPQNREY-UHFFFAOYSA-N 308.450 4.508 30 20 DJED COc1cccc(NN=C(C)c2oc3ccc(OC)cc3c2C)c1 729142703 CQJPVVCSZKUEDU-UHFFFAOYSA-N 324.380 4.595 30 20 DJED C[C@H](CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C1CC1 729375898 WFPGWZPWPJRODS-CQSZACIVSA-N 320.392 4.725 30 20 DJED COCc1ccc(/C=C\C(=O)c2ccc3cc(O)ccc3c2)cc1 749002633 MOBOLCMDEZHXPX-WDZFZDKYSA-N 318.372 4.588 30 20 DJED N#Cc1ccccc1/C=C/C(=O)c1ccc(Cl)cc1Cl 755570847 OTISCLPDNMDXGS-VMPITWQZSA-N 302.160 4.761 30 20 DJED FC(F)(F)CC(=NO[C@H]1CCCCO1)c1ccc(Cl)cc1 763369969 KMQTVANGEYAKKT-ZDUSSCGKSA-N 321.726 4.540 30 20 DJED CC(=NNc1nc(Cl)c(Cl)cc1Cl)c1occc1C 767757135 WLTGDLSKLFOCFX-UHFFFAOYSA-N 318.591 4.779 30 20 DJED C[C@@H]1CC/C(=C\C(=O)Nc2cc(C(C)(C)C)sc2C#N)C1 774162430 ITZDPXSXDHNRHB-OYGDSYQHSA-N 302.443 4.602 30 20 DJED Fc1cccc(Cl)c1NN=C1CCCNc2ccccc21 774409240 BCQWNVQOKRMDSP-UHFFFAOYSA-N 303.768 4.501 30 20 DJED COC[C@H](/N=C/c1cc(Cl)ccc1O)c1ccc(Cl)cc1 775234413 RCSFAMZAIAEONL-OMPOGXFXSA-N 324.207 4.506 30 20 DJED CCc1nc2cc(N[C@H](C)c3ccc(C#N)c(F)c3)ccc2o1 776844676 QENAQOZUDRWQDF-LLVKDONJSA-N 309.344 4.574 30 20 DJED Cc1cc2cc(CNc3cccc(OCC#N)c3)oc2cc1C 779589158 XSYPTXFXVXWEMT-UHFFFAOYSA-N 306.365 4.564 30 20 DJED O=C(/C=C/c1cc(Cl)cc(C(F)(F)F)c1)c1cncs1 787172457 WDWIZBXPEKDCNG-OWOJBTEDSA-N 317.719 4.711 30 20 DJED O=C(/C=C/c1ccc(-c2cccs2)cc1F)c1cncs1 787172598 MFMVPEGNCBOENN-AATRIKPKSA-N 315.394 4.907 30 20 DJED O=C1/C(=C\c2ccc(C(F)F)cc2)CCc2ccc(O)cc21 794960319 RCUUKICNGAGPCP-ZROIWOOFSA-N 300.304 4.542 30 20 DJED C=CCC[C@H](C(=O)OCc1coc(C(C)C)n1)c1ccccc1 802966212 ZFFHNMGSSOAQSG-KRWDZBQOSA-N 313.397 4.591 30 20 DJED CCC(=NNc1ccc(Br)cc1)c1cccs1 912828178 XVMMLGOAOJLDBW-UHFFFAOYSA-N 309.232 4.737 30 20 DJED CCOc1cccc(/C=N/[C@H](C)c2cc(C)sc2C)c1O 914702062 VTJJPIGCELGYND-SGEFVQMOSA-N 303.427 4.649 30 20 DJED CCCCCC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917043063 GIZLQMDCBZBNTH-NSHDSACASA-N 306.818 4.706 30 20 DJED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cc2ccccc2[nH]1 926603965 XPNGQRKQAOHYND-VLIAUNLRSA-N 315.420 4.768 30 20 DJED CCC(CC)[C@H](NC(=O)c1csc(C#N)c1)c1ccccc1 1124961634 KWFVNVHTRCBCOA-KRWDZBQOSA-N 312.438 4.527 30 20 DJED CC(C)(C)[C@@H]1CCC[C@H](NCc2cccc(F)c2C#N)CC1 1180934672 IKJCNHWBYAJJNE-CVEARBPZSA-N 302.437 4.782 30 20 DJED N#Cc1cccc(C#N)c1Oc1ccc(Cc2ccccc2)cc1 1185203406 GEIITFVCQMMPIL-UHFFFAOYSA-N 310.356 4.813 30 20 DJED C[C@H]1C[C@H](N(CCC#N)Cc2ccco2)c2ccsc2S1 1205081832 KZVZWTDIIIYFDW-WFASDCNBSA-N 318.467 4.682 30 20 DJED CC(C)N(Cc1cccc(F)c1C#N)[C@H](C)c1ccsc1 1206329504 YQRNZJGMBGKTDX-CYBMUJFWSA-N 302.418 4.730 30 20 DJED Cc1ccc(CSCc2cn3ccccc3c2C#N)cc1C 1307319385 JGGDHJAUXRTRPS-UHFFFAOYSA-N 306.434 4.861 30 20 DJED Cc1cc(C)c(/C=C/CN[C@H](C)c2ccc(C#N)cc2)cc1C 1308229529 GUKXMWKKAXAICI-DUMMIQTOSA-N 304.437 4.848 30 20 DJED CCC[C@H]1CCCC[C@H]1CNC1CC(C#N)(c2ccccc2)C1 1308820197 JYZXZUMVHGQGLD-KHQYNDFOSA-N 310.485 4.806 30 20 DJED CN(C(=O)Nc1ccc(C#N)cc1Cl)C1CCCCCCC1 1310423598 LIYMLOCPMLGKAL-UHFFFAOYSA-N 319.836 4.788 30 20 DJED Cc1cccn2cc(CSCCCCC(C)(C)C#N)nc12 1326414011 ARBUKSUWYUPKEX-UHFFFAOYSA-N 301.459 4.596 30 20 DJED N#Cc1ccc(N[C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)nc1 1458428614 AWIRXVOBFFYLMU-WBVHZDCISA-N 311.816 4.745 30 20 DJED CC(C)c1ccc([C@H](C)CC(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1 1460798358 QUXIGEZMFRHWRO-MDZRGWNJSA-N 313.441 4.929 30 20 DJED CC1(C)CCCC[C@@H]1CC(=O)N(CCC#N)c1ccc(F)cc1 1464854311 KABNCQADBCZHDM-OAHLLOKOSA-N 316.420 4.679 30 20 DJED C[C@@H](NCc1ccc(C#N)s1)C1(c2ccccc2)CCCC1 1473394676 CIQVXNWNBFIYIS-OAHLLOKOSA-N 310.466 4.610 30 20 DJED CC(C)(C)C1CCC(CNC2(c3cccc(C#N)c3)CC2)CC1 1473464858 JOMZEXQKUYWRLR-UHFFFAOYSA-N 310.485 4.989 30 20 DJED Cc1cc(C#N)cc(NC(=O)[C@@H](C)c2cccc(CC(C)C)c2)c1 1583755109 RHEUHVAGESEPRS-INIZCTEOSA-N 320.436 4.807 30 20 DJED CCCc1ccc(-c2ccc(Nc3ccnc(C#N)n3)cc2)cc1 1612010629 KTWGPACVLPMKOG-UHFFFAOYSA-N 314.392 4.711 30 20 DJED COc1ccc(CSCc2cc(C#N)ccc2F)cc1Cl 1641112329 NCOLIPHUIYKDSU-UHFFFAOYSA-N 321.804 4.793 30 20 DJED C[C@@H]1C[C@H](Nc2c(C#N)cccc2C#N)C[C@@H](c2ccccc2)C1 1651145089 YQOBQJJBYGBZCE-YSSFQJQWSA-N 315.420 4.814 30 20 DJED N#Cc1ccc(SCCn2ccc3cc(Cl)ccc32)cc1 1651771629 JFZPNWWFSAFWDD-UHFFFAOYSA-N 312.825 4.959 30 20 DJED CC(C)(C)C[C@H]1CCN(c2ccc(Cl)c(C#N)n2)C1(C)C 1652042229 ZZFTXFJPXWEABG-GFCCVEGCSA-N 305.853 4.648 30 20 DJED Cc1cc(C)cc(COc2cc(C#N)ccc2Br)c1 1653010128 KIYKZPUPGVJAEO-UHFFFAOYSA-N 316.198 4.517 30 20 DJED CCC[C@H]1CCCN1C(=O)Nc1scc(C(C)(C)C)c1C#N 1677865144 ORWNQOJSLMBNBC-LBPRGKRZSA-N 319.474 4.714 30 20 DJED Cc1nc(-c2cccc(NCc3cc(C#N)cs3)c2)cs1 93686356 HDJSWFYNPLEIAP-UHFFFAOYSA-N 311.435 4.664 30 20 DJED C=CCN(Cc1cccs1)C(=O)C[C@H](C=C)c1ccccc1 128686163 DJAAVCIIABQSRL-INIZCTEOSA-N 311.450 4.623 30 20 DJED O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)c1ccncc1 217927801 FFXJRSHPEORDOB-FNORWQNLSA-N 309.365 4.845 30 20 DJED C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(Oc2cccnc2)cc1 287160110 BRUJTVYSBZTNON-JZXOWHBKSA-N 321.424 4.607 30 20 DJED CCC(CC)[C@H]1C[C@H](Nc2c(C#N)cnc3ccccc23)CCO1 302060784 RBMTVSRLCLJVGV-VQIMIIECSA-N 323.440 4.502 30 20 DJED CC(=O)c1ccc(C#N)c(N2CCC[C@@H](c3ccccc3)CC2)c1 302129601 XOSIJVCKZAARNQ-GOSISDBHSA-N 318.420 4.535 30 20 DJED CC(C)c1nc2cc(N[C@H](C)c3cccc(C#N)c3)ccc2o1 319788110 MTVQQTVMUWXKQO-CYBMUJFWSA-N 305.381 4.996 30 20 DJED OC(=Nc1csc(-c2ccncc2)n1)[C@@H]1CCCC(F)(F)C1 328802625 LDFGWPOOTLKNOM-LLVKDONJSA-N 323.368 4.619 30 20 DJED CCc1ccc2c(c1)[C@@H](CC/N=C(/O)C1CC(C)(C)C1)C(O)=N2 329094885 XTBDMQUVEIEHHO-CQSZACIVSA-N 314.429 4.717 30 20 DJED CCCc1nc(C)c(C(O)=Nc2sc(C)c(C)c2C#N)s1 330845080 XTUJOZURBAYBGP-UHFFFAOYSA-N 319.455 4.590 30 20 DJED CC[C@@H](C)n1ncc(N=C(O)NC(C)(C)CC(C)(C)C)c1C 331117723 LCZZUWVGXYHDCA-GFCCVEGCSA-N 308.470 4.512 30 20 DJED Cc1cccc(Cl)c1C[S@@](=O)CCCCC(C)(C)C#N 417172212 FSNNWOJKKCWYDE-FQEVSTJZSA-N 311.878 4.617 30 20 DJED C[C@H](N[C@H](CC(F)F)c1ccccc1)c1ccc(C#N)cc1F 421872469 GVRPYUPEGIGDIF-YVEFUNNKSA-N 318.342 4.744 30 20 DJED CC(C)(C#N)CCCSCc1ncccc1C(F)(F)F 432244615 FJJVXBQJRGZQMW-UHFFFAOYSA-N 302.365 4.664 30 20 DJED CC(C)[C@@H](CC(F)(F)F)NCc1ccccc1C(C)(C)C#N 445896929 LNPPEXMGNIAJNW-OAHLLOKOSA-N 312.379 4.554 30 20 DJED C[C@@H]1CCC[C@H](CC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 464934769 DVUWVPVMGZDRLJ-PIKOESSRSA-N 324.468 4.501 30 20 DJED CC#CCCCC(=O)Nc1ccccc1COC(C)(C)CC 466304171 AMVAQGXMMJBJMR-UHFFFAOYSA-N 301.430 4.524 30 20 DJED C=CCCCCNC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 471702449 VNJJXHOIDIBMCP-CYBMUJFWSA-N 313.363 4.672 30 20 DJED Cc1c(Cl)cccc1NC(=O)c1ccc(C(C)(C)C#N)cc1 474085152 UTLMOIYRYZMBTE-UHFFFAOYSA-N 312.800 4.702 30 20 DJED Cc1ccc2c(C(=O)Nc3cc(C#N)ccc3C)csc2c1 479852043 POAFKJPGWLDHIQ-UHFFFAOYSA-N 306.390 4.642 30 20 DJED Cc1cccc(C)c1Oc1ccccc1NC(=O)N[C@@H](C)CC#N 480820822 GICBQYAAXSIISA-HNNXBMFYSA-N 323.396 4.519 30 20 DJED C=CCOc1ccccc1CN[C@H](C)c1ccccc1OCC 482862934 FFYYDTJBJSQTGE-MRXNPFEDSA-N 311.425 4.501 30 20 DJED C[C@@H](c1ccc(F)cc1)N(C)Cc1ccccc1C(C)(C)C#N 487402457 QYDSBVGEROQUOO-HNNXBMFYSA-N 310.416 4.820 30 20 DJED N#Cc1cc(F)ccc1CSCCCOc1ccc(F)cc1 488455030 ADTLFPMJKMOYLN-UHFFFAOYSA-N 319.376 4.539 30 20 DJED C=C[C@@H]1CCCCN1Cc1nc(C)c(-c2ccc(Cl)cc2)o1 489431866 QKSYAUXUTSTGSW-MRXNPFEDSA-N 316.832 4.844 30 20 DJED C[C@@H](c1ccccc1Cl)N(C)Cc1ccc(F)cc1C#N 489552445 XQJMYKHZNINWNW-LBPRGKRZSA-N 302.780 4.544 30 20 DJED CCC[C@H](CC1CCCCC1)C(=O)NCc1cccc(C#N)c1 499345287 ZJYVRMAFRTZCMQ-LJQANCHMSA-N 312.457 4.561 30 20 DJED C=CCOc1ccc(-c2nc(-c3ccccc3Cl)no2)cc1 504974789 KPZYKJDPIBVYIV-UHFFFAOYSA-N 312.756 4.622 30 20 DJED CCN(C(=O)CCC1CCCCC1)[C@H](C)c1ccc(C#N)cc1 509604945 XLBWWXIJRVGSFP-MRXNPFEDSA-N 312.457 4.828 30 20 DJED C=CCOc1ccc(CNCc2ccc(C)cc2C)cc1Cl 518272934 WQECQJWJZXLKOM-UHFFFAOYSA-N 315.844 4.811 30 20 DJED C[C@@H](Nc1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 518686908 CVXYDRKLDGAKAK-GFCCVEGCSA-N 320.314 4.672 30 20 DJED Cc1nc(-c2ccc([C@@H](C)NCCC(C)(C)C#N)cc2)cs1 538512195 GNUKWZAXDRWJSV-CYBMUJFWSA-N 313.470 4.709 30 20 DJED C=CCCC[C@H](C)NC(=O)c1ccc(C)c(Oc2ccncc2)c1 539430911 VLZYFZLZGARTBR-INIZCTEOSA-N 324.424 4.657 30 20 DJED C=C[C@H](Cc1nc([C@@H](C)c2cccs2)no1)c1ccccc1 545020752 UKVVVAPOIZKQHW-UONOGXRCSA-N 310.422 4.795 30 20 DJED C[C@H]1CCCC[C@@H]1c1noc(-c2ccc(C3(C#N)CC3)cc2)n1 547098735 QTTUMKOSTSIHEM-BBRMVZONSA-N 307.397 4.585 30 20 DJED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cc(F)ccc1F 552969310 LSVLGQPOTVTIIY-CWTRNNRKSA-N 312.363 4.565 30 20 DJED C=CCOc1ccccc1-c1nc([C@@H](C)c2cccs2)no1 583168605 KVUNMXOOWKGTEX-LBPRGKRZSA-N 312.394 4.515 30 20 DJED N#CCCCCCC(=O)NCc1cccc(Oc2ccccc2)c1 588150772 AKGIMBGQMNZIOT-UHFFFAOYSA-N 322.408 4.569 30 20 DJED N#CCCCCCC(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 590884015 XBOZRILPDKPNKX-MOPGFXCFSA-N 312.457 4.551 30 20 DJED N#CCC1(CN[C@H](c2ccc3ccccc3c2)C(F)(F)F)CC1 599046087 NRNNNMYENRLYKZ-MRXNPFEDSA-N 318.342 4.727 30 20 DJED C[C@@H]1CCCC[C@@H]1CC(=O)Nc1sc2c(c1C#N)CCCC2 604446073 USNFSDDEAQHVJG-CHWSQXEVSA-N 316.470 4.653 30 20 DJED Cc1cccc2c1C/C(=C\c1cccc(OCCCC#N)c1)C2=O 729148852 BLGJSASVFSUZPP-SFQUDFHCSA-N 317.388 4.500 30 20 DJED COc1ccc2oc(C(=O)/C=C/c3cccc(F)c3)c(C)c2c1 729151370 RUGKZLJRJDILCW-SOFGYWHQSA-N 310.324 4.785 30 20 DJED CC(C)c1ccc(OC(=O)c2cc3ccccc3n2CC#N)cc1 729649902 ISWURPHXPVEAFX-UHFFFAOYSA-N 318.376 4.507 30 20 DJED CCCCCCCCCN(C)C(=O)NCC1CCSCC1 733653070 DHXDUBCMAIVZGN-UHFFFAOYSA-N 314.539 4.522 30 20 DJED O=C(C(=NN=CC1CCCC1)c1ccccc1)c1ccccc1 741837908 QDXAEYWRSVFDPJ-UHFFFAOYSA-N 304.393 4.535 30 20 DJED COc1cccc2cc(/C=C3/Cc4cc(Cl)ccc4C3=O)oc12 742436394 BHXHRKCBEKPUPC-RAXLEYEMSA-N 324.763 4.917 30 20 DJED CC(=NN=Cc1c2ccccc2cc2ccccc12)c1cnccn1 745209437 ZZKDNDCXWROQBB-UHFFFAOYSA-N 324.387 4.626 30 20 DJED CSc1ccc2c(c1)CC/C(=C/c1ccc3c(c1)CCO3)C2=O 748147482 ORBWKSDZIYYOMR-WJDWOHSUSA-N 322.429 4.556 30 20 DJED C=CC[C@H](N[C@H](C)c1ccc2ccccc2c1O)c1ccncc1 756582482 JBCBZUNXJAWCRZ-QRWLVFNGSA-N 318.420 4.908 30 20 DJED C#CCCCCNC(=O)Nc1ccc(SC(C)(C)C)cc1C 758598799 ZSHNQTXARIKWQN-UHFFFAOYSA-N 318.486 4.811 30 20 DJED N#Cc1c(F)ccc(/C=C/C(=O)c2ccccc2Cl)c1Cl 761474311 KJIFZEYPQXRDBT-SOFGYWHQSA-N 320.150 4.900 30 20 DJED CCO[C@H]1CCCC1=NNc1cc(C)c2cc(Cl)ccc2n1 766433028 XEAQXARVYDKBCT-INIZCTEOSA-N 317.820 4.554 30 20 DJED CC[C@H](Nc1ccc(OC)c(OC(C)C)c1)c1ccc(C#N)cc1 774360053 QYFPNVFTQXIXGX-SFHVURJKSA-N 324.424 4.917 30 20 DJED CC(C)c1cccc(CN[C@H](C)c2ccc(OCC#N)cc2)c1 775568170 MQHUXZXFFHMPNW-MRXNPFEDSA-N 308.425 4.563 30 20 DJED O=C1/C(=C\c2scnc2C2CC2)CSc2c(F)cccc21 782324301 YTCSSIAKTOVMBI-POHAHGRESA-N 317.410 4.532 30 20 DJED O=C1/C(=C\c2sccc2Cl)CCOc2cc(F)ccc21 782352194 RHWKKCVCPJZTIN-CLFYSBASSA-N 308.761 4.589 30 20 DJED CCCCCCCCS(=O)(=O)Cc1ccc(Cl)s1 790136769 WDJORDALIMDKEG-UHFFFAOYSA-N 308.896 4.677 30 20 DJED C=CCC1(C(=O)O[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)CCC1 791801887 LSPJEIWOONSTFW-NSHDSACASA-N 318.804 4.567 30 20 DJED Cc1ccc(C)c(OC(=O)C[C@H](CC#N)c2ccccc2)c1C 796517646 XLLOTUZMUYLJAY-SFHVURJKSA-N 307.393 4.605 30 20 DJED CCc1cc(C)cc(CC)c1NC(=O)c1ccc(C)c(C#N)c1 799378683 NOMDHJASQWRXOC-UHFFFAOYSA-N 306.409 4.552 30 20 DJED C#CCC1(c2nc(-c3cnc4ccsc4c3)no2)CCCCC1 809412744 DIGVYNPIEITHCT-UHFFFAOYSA-N 323.421 4.572 30 20 DJED C[C@H](C#N)Oc1ccc(CNc2cccc(C3CCC3)c2)cc1 812776590 WBIRGECJNUOGAL-OAHLLOKOSA-N 306.409 4.857 30 20 DJED CC(=NNc1ncccc1C(F)(F)F)c1ccc(Cl)s1 915051202 OHKKKCBZMNRSSL-UHFFFAOYSA-N 319.739 4.651 30 20 DJED CC[C@@H]1CCCC[C@H]1N(C)Cc1cc(Cl)ccc1OCC#N 1169331645 JZDXUDFYZFLHKA-RHSMWYFYSA-N 320.864 4.643 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)C[C@@H](C)CC(C)(C)C 1293650447 PQVLPXOCBDVTLK-CQSZACIVSA-N 315.461 4.781 30 20 DJED CC(C)(C)CC(C)(C)Nc1nccc(Oc2cccc(C#N)c2)n1 1306992198 WQSVRFPDUNGFCY-UHFFFAOYSA-N 324.428 4.767 30 20 DJED CC(C)C[C@@H](C)CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1349230234 DHCRFSVRWTYMQS-CHWSQXEVSA-N 318.486 4.755 30 20 DJED CCCCc1ccc([C@H](NC(=O)c2ccc(C#N)o2)C(C)C)cc1 1352324972 GGPYUIQAQCGKFY-LJQANCHMSA-N 324.424 4.621 30 20 DJED CC(C)(C)c1cccc(C(=O)N[C@@H](CCC#N)c2ccccc2)c1 1435621521 JOVAZTJPGGHBCU-IBGZPJMESA-N 320.436 4.759 30 20 DJED CSc1cc(C)ccc1CNc1nc(C)c(C#N)cc1Cl 1458263855 GPLHDTMIBAEZIQ-UHFFFAOYSA-N 317.845 4.558 30 20 DJED C=C(Br)CN(C)[C@H]1CCCC[C@@H]1c1ccccc1 1460246446 LDBFLBWRBNZPFN-CVEARBPZSA-N 308.263 4.553 30 20 DJED Cc1cc(C#N)cc(NC(=O)N(C2CC2)[C@@H](C)c2ccccc2)c1 1466839903 YAZARWJVMCPISJ-HNNXBMFYSA-N 319.408 4.624 30 20 DJED CC[C@@H](Cc1ccccc1)N(CC)Cc1ccc(F)cc1C#N 1473270326 UYGNHRSFWDFJRX-FQEVSTJZSA-N 310.416 4.541 30 20 DJED CCCC[C@@H](C(=O)N(C)[C@@H](C#N)c1ccc(CC)cc1)C(C)C 1524111367 OVEAPFGDDGOAQG-MOPGFXCFSA-N 314.473 4.734 30 20 DJED CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H](C)CCC(C)(C)C)cc1 1527597784 XXYHOBNTTFATEI-YJBOKZPZSA-N 314.473 4.734 30 20 DJED CC(C)c1ncc(C(=O)Nc2cc3ccccc3cc2C#N)s1 1528322777 QKGXFUSXOUERJG-UHFFFAOYSA-N 321.405 4.544 30 20 DJED Cc1cc(N2CCCCC[C@H]2/C=C\c2ccccc2)ncc1C#N 1559161898 PMKNJTSNDOTJSL-DUQGCJEPSA-N 317.436 4.724 30 20 DJED CCCCN(Cc1cccc(C#N)c1F)[C@H](C)c1ccc(C)o1 1559504850 UYFXFAUQAQVUIE-OAHLLOKOSA-N 314.404 4.962 30 20 DJED CC(C)C[C@H](C)CC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1583324226 QDOKDWLMRVSQBM-AWEZNQCLSA-N 316.445 4.746 30 20 DJED C[C@H]1C[C@@H](C)C[C@H](Nc2c(C#N)cnc3c(Cl)cccc23)C1 1612011170 ZZTQNBGBUUYAHQ-IMRBUKKESA-N 313.832 4.996 30 20 DJED Cc1ccc(CNc2nc(C)ccc2C#N)c(OCCC(C)C)c1 1612093330 KTQDAAUPFICCCJ-UHFFFAOYSA-N 323.440 4.607 30 20 DJED CCc1ccccc1CCN1CCC[C@H]1[C@H](C#N)c1ccccc1 1615608225 ZWENMTWVQPVXNE-YADHBBJMSA-N 318.464 4.563 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1Cl)c1cccc(O)c1 1615700271 MYHSUQVFHSMORC-UHFFFAOYSA-N 314.816 4.580 30 20 DJED C[C@H](Cc1cccs1)N(C)Cc1ccccc1C(C)(C)C#N 1615817548 BTTZZKZFTXJWGQ-OAHLLOKOSA-N 312.482 4.612 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1cccc2ccoc12 1620962376 BXYZGTQQUFZGMF-UHFFFAOYSA-N 306.365 4.704 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)CC[C@H]1CCc2ccccc21 1643522692 BEIGUVWMSYFAPX-QFBILLFUSA-N 304.437 4.671 30 20 DJED C[C@@H](NCCC1(C#N)CCCCC1)c1ccc(OC(F)F)cc1 1653082669 WGLGKXILGIQPAZ-CQSZACIVSA-N 322.399 4.803 30 20 DJED CN(Cc1ccccc1C(C)(C)C#N)C(C)(C)c1ccccc1 1654135563 CBMSAFXVCHGVQP-UHFFFAOYSA-N 306.453 4.855 30 20 DJED Cc1cc(C)cc(-n2ccnc2SCc2cccc(C#N)c2)c1 1656111655 BYZVZYGDNJEAHU-UHFFFAOYSA-N 319.433 4.653 30 20 DJED CCOc1ccc(C#N)cc1NC[C@H](OC(C)C)c1ccccc1 1657712698 DRFFIUNGFLFXRA-FQEVSTJZSA-N 324.424 4.535 30 20 DJED Cc1nc(C(=O)Nc2ccc(C(C)C)cc2C(C)C)ccc1C#N 27138699 ZBXGZULPTWCAHG-UHFFFAOYSA-N 321.424 4.761 30 20 DJED N#Cc1cccnc1N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 52454170 NBDDCPQTBHREHM-OAHLLOKOSA-N 318.207 4.602 30 20 DJED CC(C)(C)c1ncc(CN[C@H](CCC#N)c2ccccc2)s1 130487153 FYUMLGDQDHMKJK-MRXNPFEDSA-N 313.470 4.575 30 20 DJED Cc1ccc(CNc2cc(C#N)ccc2C)c(Br)c1 164031342 CUYJUPLAJAFNSX-UHFFFAOYSA-N 315.214 4.550 30 20 DJED CCCCCCCCC(=O)N1CCC[C@@H]1c1cccc(C)n1 167096622 YCAKDYCKYIABPS-GOSISDBHSA-N 302.462 4.804 30 20 DJED Cc1cccc(CN(CCCC(C)(C)C#N)Cc2ccccn2)c1 177645733 OZYKUJNMQWVENX-UHFFFAOYSA-N 321.468 4.722 30 20 DJED C[C@H](c1ccccc1)N(C)Cc1cccc(OCCCC#N)c1 179701312 VMDDUKOBXDOIGQ-QGZVFWFLSA-N 308.425 4.562 30 20 DJED C[C@H]1CC(C(=O)Nc2ccccc2SCCC#N)C[C@H](C)C1 180320514 MZHOQRKKQHXQOH-ZIAGYGMSSA-N 316.470 4.703 30 20 DJED C=C(C)[C@@H](N[C@@H](C)c1cnn(C(C)C)c1)c1ccc(F)c(F)c1 186451954 NSEHNJCQGMIMDD-SCLBCKFNSA-N 319.399 4.710 30 20 DJED C=C(C)[C@H](N[C@H](C)c1cncc(C)c1)c1ccc(F)c(F)c1 186452372 AIPQDYRMGZWMAM-ACJLOTCBSA-N 302.368 4.636 30 20 DJED N#Cc1cccc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)c1 208303684 YHBHXFXATBTKQH-DAXSKMNVSA-N 302.160 4.761 30 20 DJED Cc1ccc(Br)cc1Oc1cccc(F)c1C#N 228333494 ZCQSCDOGVLSGJY-UHFFFAOYSA-N 306.134 4.561 30 20 DJED CC[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccc(Cl)cc1 301797375 QYJMUXAFIQMLIU-OAHLLOKOSA-N 315.760 4.683 30 20 DJED O/C(Cc1n[nH]c2ccccc12)=N/[C@@H]1CCCCC12CCCC2 329608999 IVRKAXIKFQRSQD-QGZVFWFLSA-N 311.429 4.565 30 20 DJED CC1(CC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)CC1 428262189 PFISWNCVCKHJEP-UHFFFAOYSA-N 322.433 4.514 30 20 DJED N#C[C@H]1CCC[C@H](NCCC(c2ccccc2)c2ccccc2)C1 463278892 DTAWOHDRSAKKJO-RXVVDRJESA-N 318.464 4.881 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1ccccc1COCc1ccccc1 468115054 KEVCLDMLMHVPDA-OAQYLSRUSA-N 323.436 4.944 30 20 DJED C=C(C)[C@H](NC(=O)[C@H](C)c1ccccc1)c1ccc(F)c(F)c1 475670869 IICJWHVNKXAAGA-ACJLOTCBSA-N 315.363 4.502 30 20 DJED CSc1ccc(C)c(NCc2ccc(Cl)cc2C#N)c1 478343865 HPUNXTWNVDBYJL-UHFFFAOYSA-N 302.830 4.854 30 20 DJED Cc1c(N[C@H]2CCCCc3cc(C#N)ccc32)cnn1CC(C)C 481988802 GWUQOHBETHNEQW-IBGZPJMESA-N 322.456 4.599 30 20 DJED C=CCCC1(C(=O)Nc2cc(-c3ccncc3)ccc2C)CC1 483460437 HVGHRKQLBVCCNT-UHFFFAOYSA-N 306.409 4.742 30 20 DJED C[C@H](c1ccccc1)N(C(=O)c1cc(C#N)cs1)C1CCCC1 485466418 LVLHDPXIUNAOOD-CQSZACIVSA-N 324.449 4.766 30 20 DJED C=CC[C@@H](C(=O)N[C@@H](C)c1ccc(F)cc1F)c1ccccc1 487635450 OFYBLCOQTWWXRN-SUMWQHHRSA-N 315.363 4.502 30 20 DJED Cc1cc(C)c(C#N)c(S[C@@H](C)c2ccc(F)c(F)c2)n1 497674695 WBCDCZCNOKDPTF-NSHDSACASA-N 304.365 4.702 30 20 DJED CCCC[C@H](CC)Cn1cc(C#N)c(=O)c2cc(Cl)ccc21 502832629 IFQAOZUAOZNBQV-ZDUSSCGKSA-N 316.832 4.743 30 20 DJED CCOC1CC(CSc2nc(-c3ccccc3)ccc2C#N)C1 505520297 OWUIIHPUJWDZBH-UHFFFAOYSA-N 324.449 4.527 30 20 DJED CC[C@@H](CC1CCCC1)C(=O)Nc1sc(C)c(C)c1C#N 510198347 LRHBSPFHQHDYHB-AWEZNQCLSA-N 304.459 4.782 30 20 DJED C[C@H]1CCCC[C@H]1CC(=O)Nc1cccc(OCCCC#N)c1 518801782 GSUKXRKXSIGPHQ-HOTGVXAUSA-N 314.429 4.524 30 20 DJED N#Cc1ccc(Oc2ccc(NC(=O)CC3CCCC3)cc2)cc1 521356701 JRXKHXMWPURRMK-UHFFFAOYSA-N 320.392 4.869 30 20 DJED Cc1ccc(C)c2c(C)c(C(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)oc12 522642288 AOMMAPYPQPNANH-ODXCJYRJSA-N 324.424 4.560 30 20 DJED N#Cc1cccc(NCc2ccccc2-c2ccc(Cl)cc2)n1 522934187 YGCYEFACFDIQRD-UHFFFAOYSA-N 319.795 4.886 30 20 DJED C[C@H](NCc1ccc(CC#N)cc1)c1cc2ccccc2s1 527484602 PBBZEEWHZLUDRS-AWEZNQCLSA-N 306.434 4.818 30 20 DJED N#Cc1ccc(SCc2ncc(-c3cccs3)o2)c(F)c1 610218875 FKXVITRVLCGZMW-UHFFFAOYSA-N 316.382 4.706 30 20 DJED Cc1oc2ccccc2c1CNCc1ccc(C#N)c(Cl)c1 619748352 JAWLJQWBJZJONE-UHFFFAOYSA-N 310.784 4.556 30 20 DJED C=C(C)COc1cccc(NC(=O)N[C@@H](C)c2ccsc2)c1 669952884 IKIMFOKAOHEJQA-ZDUSSCGKSA-N 316.426 4.586 30 20 DJED C[C@@H](C#N)Oc1ccc(/C=C2/CCCc3ccccc3C2=O)cc1 728695011 PQPILZJWKANVTQ-LUJRCDHRSA-N 317.388 4.580 30 20 DJED CCOc1cccc(C=Nc2cc(C)c(C)c3ncccc23)c1O 743044928 UPVQWICYMLXSBE-UHFFFAOYSA-N 320.392 4.707 30 20 DJED Cc1ccc([N+](=O)[O-])cc1NN=Cc1cccc(Cl)c1Cl 747061225 DUVQWLIMNIEHRL-UHFFFAOYSA-N 324.167 4.656 30 20 DJED N#CCC[C@@H](NC(=O)/C=C\c1ccc(Cl)cc1)c1ccccc1 749036495 WQMXRHYDWNJHID-ADYSOMBNSA-N 324.811 4.514 30 20 DJED CCCCCCCC(=O)OCc1nc(C(F)(F)F)cs1 751681529 OYVSZAWRISYSJY-UHFFFAOYSA-N 309.353 4.566 30 20 DJED CCCC[C@H](CCC)CNC(=O)c1ccccc1SCC#N 753774124 CKSPJIHDVCIERF-HNNXBMFYSA-N 318.486 4.639 30 20 DJED C#CCOc1ccc([C@@H](C)N[C@H](c2cccs2)C2CC2)cc1 764741054 CLKGVUPRFVIOQK-KUHUBIRLSA-N 311.450 4.562 30 20 DJED Clc1cccc(NN=Cc2sccc2Br)c1 764885658 MILXFUZUDLDMRH-UHFFFAOYSA-N 315.623 4.610 30 20 DJED C=CC[C@@H](N[C@H]1C[C@H](C)Sc2sccc21)c1ccncc1 766017839 FBCMXDIEAYOQNS-MAZHCROVSA-N 316.495 4.976 30 20 DJED CCn1nc(/C=C\C(=O)c2cccc(Cl)c2)c2ccccc21 769743197 MDYAMONPTXRRKH-KHPPLWFESA-N 310.784 4.606 30 20 DJED COCCC1(C=NNc2cccc3cnccc23)CCCCC1 780226000 RWHFENUMJJRGPZ-UHFFFAOYSA-N 311.429 4.620 30 20 DJED N#Cc1sc(Nc2ccc(CC(F)(F)F)cc2)nc1Cl 804502103 LEVHBINOVCDLFY-UHFFFAOYSA-N 317.723 4.517 30 20 DJED CC(C)c1ccc([S@](=O)CCCCC2(C#N)CCC2)cc1 899274990 BDGVXPZVRQSGSN-OAQYLSRUSA-N 303.471 4.782 30 20 DJED CCCCCCC[C@H](C)N[C@@H](C(=O)O)c1ccc(F)c(C)c1 901844037 SEGRAGGLPUZQMB-WMLDXEAASA-N 309.425 4.598 30 20 DJED C=CCCC[C@@H](N)C(=O)Nc1c(C(C)C)cccc1C(C)C 911915742 GSIQATMJJRYRSK-QGZVFWFLSA-N 302.462 4.556 30 20 DJED C=CCN(Cc1ccccc1)C(=O)/C=C/c1ccc(Cl)cc1 914611851 MQFCDIRIWPGNRC-JLHYYAGUSA-N 311.812 4.568 30 20 DJED CC(=NNc1ccc(C#N)cc1)c1cc2cc(Cl)ccc2o1 915962714 VCIMYDNWBDBFHJ-UHFFFAOYSA-N 309.756 4.794 30 20 DJED Fc1cccc(F)c1C=NNc1ccc(Cl)c(Cl)c1 916249572 ZMJXXCGTOLCJTD-UHFFFAOYSA-N 301.123 4.718 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1cc(-c2ccccc2)oc1C 1128197471 HAXLDOLDJFPHKW-UHFFFAOYSA-N 324.424 4.800 30 20 DJED CCSc1ccc([C@H](C)Nc2nc(C#N)c(Cl)s2)cc1 1185306557 RQHPDVITWIOHOQ-VIFPVBQESA-N 323.874 4.953 30 20 DJED C[C@@H](Nc1nc(C2CCCCC2)ns1)c1ccc(C#N)cc1 1306944767 TXQJFHBIKLQLTE-GFCCVEGCSA-N 312.442 4.631 30 20 DJED CCC1(CC)CN(C(=O)c2cccc(C#N)c2C)c2ccccc21 1357283903 MELMIRYOKFWRIX-UHFFFAOYSA-N 318.420 4.585 30 20 DJED CC[C@H]1CCCC[C@H]1C(=O)N(CC)c1ccc(C#N)c(Cl)c1 1458041596 ZWDCNJVLOKFZMT-XJKSGUPXSA-N 318.848 4.781 30 20 DJED C[C@@H]1CCC[C@@H](Nc2c(Br)cccc2C#N)CC1 1472759983 SLCUJPASWPXDFE-DGCLKSJQSA-N 307.235 4.701 30 20 DJED C[C@@H](NC1CCC(C)(C#N)CC1)C1(c2ccccc2)CCCC1 1474451359 CWHFASJXASTTHU-QHGAOEGBSA-N 310.485 4.949 30 20 DJED C[C@H](CC(C)(C)C#N)Nc1cccc(-c2ncc3n2CCCC3)c1 1474478466 CSLHUDPJJDYRSZ-OAHLLOKOSA-N 322.456 4.627 30 20 DJED C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1523664743 SSVWAEUEOTVIGL-HUUCEWRRSA-N 320.392 4.725 30 20 DJED Cc1c(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)sc2cccc(F)c12 1525049797 YLKNYJNOZWHBSY-VXGBXAGGSA-N 317.385 4.588 30 20 DJED CCc1ccccc1[C@@H]1C[C@H]1C(=O)O[C@@H](C)c1ccc(C#N)cc1 1531747468 KNFIJPABNIYOLQ-PNHOKKKMSA-N 319.404 4.529 30 20 DJED C[C@@H]1C[C@H]1c1ccc(CNc2nc(C(C)(C)C)ccc2C#N)o1 1559074740 DIOFCHVFRQBRLX-IUODEOHRSA-N 309.413 4.579 30 20 DJED Cc1ccc(C(C)(C)CNc2nc(Cl)c(C#N)s2)c(C)c1 1559198897 KVGIXZAQGLDNSU-UHFFFAOYSA-N 319.861 4.675 30 20 DJED COc1ccc([C@H](C)CN(Cc2ccc(C#N)cc2)C(C)C)cc1 1559507236 MXCFXADHDZKESE-QGZVFWFLSA-N 322.452 4.581 30 20 DJED CCCCC1CCC(C(=O)Nc2cc(C#N)c(F)cc2F)CC1 1597367435 XNMOYFZYQBQGJL-UHFFFAOYSA-N 320.383 4.772 30 20 DJED CN(C(=O)Nc1scc(C(C)(C)C)c1C#N)C1CCCCC1 1625087907 RVLPWIXQXUHXCC-UHFFFAOYSA-N 319.474 4.714 30 20 DJED CSc1ccc([C@@H](C)Nc2ncc(Cl)c(C)c2C#N)cc1 1651779128 QGXSTXGCVNIXIZ-LLVKDONJSA-N 317.845 4.810 30 20 DJED Cc1c(Cl)cnc(N[C@H]2CCc3ccc(Cl)cc32)c1C#N 1652096420 XVIBQQAVVYGSAO-HNNXBMFYSA-N 318.207 4.668 30 20 DJED C[C@H]1C[C@@H](Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC[C@H]1C 1658056354 NAIGXBBRQSNZQI-VYDXJSESSA-N 321.424 4.982 30 20 DJED N#C[C@@H]1CC[C@H](N[C@@H](c2ccc(F)cc2)C2CCCCC2)C1 1659841917 XDQSRWDHPWUSIF-MDASCCDHSA-N 300.421 4.729 30 20 DJED C=CCSc1ncnc2scc(-c3ccc(F)cc3)c12 1942574 YYLRXPWGNAJVIQ-UHFFFAOYSA-N 302.399 4.776 30 20 DJED C=CCN(Cc1ccccc1)C(=O)c1cc2c(C)cc(C)cc2[nH]1 24499630 IANBRTIBGDKVRE-UHFFFAOYSA-N 318.420 4.613 30 20 DJED N#Cc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)cc1 31732022 FLAXPIFBTKENGK-UHFFFAOYSA-N 324.811 4.662 30 20 DJED C=CCn1c(SC/C=C/c2ccccc2)nnc1-c1ccco1 60512880 HBTIVTBJEULNQJ-JXMROGBWSA-N 323.421 4.530 30 20 DJED CCC(C)(C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N 73082727 PUHAETGBAFUBSN-ZDUSSCGKSA-N 304.459 4.703 30 20 DJED C=CCCCS[C@H](C)C(=O)Nc1ccccc1C(F)(F)F 117944548 URDIFHOZTPBLDK-LLVKDONJSA-N 317.376 4.732 30 20 DJED Cc1nc2ccccc2nc1CS[C@@H](C)c1ccc(C#N)cc1 172417930 HGSDPBGFTQDDNA-AWEZNQCLSA-N 319.433 4.804 30 20 DJED CCCc1ccccc1NC(=O)Nc1ccccc1O[C@H](C)C#N 183635947 BNMDBCKXEOBVNB-CQSZACIVSA-N 323.396 4.574 30 20 DJED Cc1oc2ccccc2c1C(=O)Nc1ccc(C(C)(C)C#N)cc1 185278078 YHOFDROXTDLRPU-UHFFFAOYSA-N 318.376 4.795 30 20 DJED C=C(C)[C@@H](N[C@H](C)c1cc(C)ccc1O)c1ccc(F)c(F)c1 186451004 KWLLTLLSBDITMS-BFUOFWGJSA-N 317.379 4.947 30 20 DJED Cc1ccccc1-c1nnc(S[C@H](C)c2cccc(C#N)c2)o1 189767211 XMWOCOBKEZIZJS-CYBMUJFWSA-N 321.405 4.770 30 20 DJED CC(C)(C#N)c1ccc(C(=O)N(CC2CC2)c2ccccc2)cc1 280096327 ZLPMOHWUDHQZFN-UHFFFAOYSA-N 318.420 4.545 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CC12CCCC2 353828300 IMVCNGZFIIEVSI-KBPBESRZSA-N 314.454 4.600 30 20 DJED C[C@H](NCc1ccc(CC#N)cc1)c1ccc(Cl)cc1Cl 398961717 NBZOSLHKJMYGJF-LBPRGKRZSA-N 319.235 4.910 30 20 DJED C=C[C@](C)(CC)C(=O)N(C)c1nc2ccc(Cl)cc2s1 436464895 RPVCCBGYSBBBCO-OAHLLOKOSA-N 308.834 4.515 30 20 DJED C=CCC[C@H](C(=O)N[C@H]1C[C@H](c2ccccc2)C1)c1ccccc1 437407285 OOLZFVCIPANQGH-ACRUOGEOSA-N 319.448 4.799 30 20 DJED C=CCCN(C)C(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl 442770307 NSOOHVXSSGBVKU-UHFFFAOYSA-N 323.223 4.637 30 20 DJED C=C(CN[C@H]1CCC[C@H](c2ncccc2C)C1)c1ccccc1 467338470 ZSBNOHHAFWOMKV-PMACEKPBSA-N 306.453 4.719 30 20 DJED C=C(C)[C@H](NC(=O)CC1=CCCCC1)c1ccc(F)c(F)c1 475670328 GNWUZJWNVOBSTK-SFHVURJKSA-N 305.368 4.589 30 20 DJED Cc1ccc2ncc(C#N)c(OCc3cccc(C(F)F)c3)c2c1 488290420 UXEYWFZRWUSZSL-UHFFFAOYSA-N 324.330 4.932 30 20 DJED C=C[C@H]1CCCCN1C(=O)c1cc(Cl)cc(C(F)(F)F)c1 488885402 VLKFBQWLZKHZJB-ZDUSSCGKSA-N 317.738 4.540 30 20 DJED C=CCC[C@@H](C(=O)Nc1ccc2[nH]ccc2c1)c1ccccc1 494891683 IWOKPXLWRBBWKL-GOSISDBHSA-N 304.393 4.856 30 20 DJED C=C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 519429431 YMEXPWVIVVFDER-UHFFFAOYSA-N 307.422 4.515 30 20 DJED C=CC1CCN(C(=O)Nc2cc(Cl)ccc2SCC)CC1 523587692 BDMDMCDLITZRDY-UHFFFAOYSA-N 324.877 4.882 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1cccc(CSC2CCCC2)c1 524932812 UWJFCFAOPIHGON-CQSZACIVSA-N 318.486 4.949 30 20 DJED CC(C)c1ccc([C@@H]2CCCN2C(=O)c2cc(C#N)cs2)cc1 536292821 ACVZBINITXKXKH-KRWDZBQOSA-N 324.449 4.720 30 20 DJED COc1ccccc1[C@H](C)SCCCC1(C#N)CCOCC1 540808110 ZDGDSBAFASLUFA-HNNXBMFYSA-N 319.470 4.590 30 20 DJED CCCC(C#N)(CCC)NC(=O)c1ccc(C)c(C)c1Cl 544021870 RVYIVGNZWDDHSC-UHFFFAOYSA-N 306.837 4.549 30 20 DJED N#CCc1ccc(NCc2cc(C(F)(F)F)ccc2F)cc1 545368752 GDUSTAAQVNVHFX-UHFFFAOYSA-N 308.278 4.523 30 20 DJED C=CCC[C@H](NCc1cc(OC)nc2ccccc12)c1ccco1 552243593 FGNUGZWUFOFPJZ-SFHVURJKSA-N 322.408 4.634 30 20 DJED CC[C@@H](N[C@@H](C)CCOCc1ccccc1)c1ccc(C#N)cc1 565957763 PEZQDVJIKSZUBT-LAUBAEHRSA-N 322.452 4.594 30 20 DJED Cc1cccc([C@H]2CCCCN2C(=O)CCCCCC#N)c1C 588640202 GGHNJVREALTZDM-LJQANCHMSA-N 312.457 4.831 30 20 DJED N#CCCCCCC(=O)N[C@@H](CC1CCCC1)c1ccccc1 588654905 MDDUFWRYUWTWSY-IBGZPJMESA-N 312.457 4.898 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccc(OCCCC)cc1C 591499357 HATTTYWAUYPYMK-UHFFFAOYSA-N 304.434 4.604 30 20 DJED Cc1cc(C#N)ccc1CN[C@H](C)c1ccc2c(c1)CCCC2 614405998 MDMLWFTZRUDKRH-MRXNPFEDSA-N 304.437 4.596 30 20 DJED C=CCC1(C(=O)Nc2cc(C(C)(C)C)ccc2OC)CCC1 683062860 WXLMVEHAJBVYAE-UHFFFAOYSA-N 301.430 4.678 30 20 DJED COc1cc(/C=C2\C(=O)c3ccccc3C2(C)C)ccc1SC 746342275 QGBBAIMMWHMNGV-LFIBNONCSA-N 324.445 4.975 30 20 DJED N#Cc1ccsc1C(=O)Oc1ccc(Cl)c2ccccc12 748053781 XJDBHEGSQCJEIE-UHFFFAOYSA-N 313.765 4.646 30 20 DJED CC[C@@H](C)Oc1cc(/C=C2/Cc3ccccc3C2=O)ccc1OC 749453692 UTUBZMZGDKUSDA-RQNDZEIBSA-N 322.404 4.695 30 20 DJED C[C@H]1CC(=NNc2ccc(Cl)nn2)C[C@H](c2ccccc2)C1 749853668 SGUWTIHLCKJOPO-TZMCWYRMSA-N 314.820 4.502 30 20 DJED CC(=NNc1c(Cl)cc(F)cc1Cl)c1cncc(F)c1 767910499 IVBIWPRIGFFBRL-UHFFFAOYSA-N 316.138 4.503 30 20 DJED O=C(/C=C\c1cnc(C2CCC2)s1)c1ccc(O)c(Cl)c1 768751564 GBZICDZDYGSDDX-ALCCZGGFSA-N 319.813 4.666 30 20 DJED N#Cc1cc(NC2CC(C(F)F)C2)ccc1Oc1ccccc1 779192952 RINYMNGWAZGZAD-UHFFFAOYSA-N 314.335 4.806 30 20 DJED O=C(/C=C\c1scnc1C1CC1)c1ccc(C(F)(F)F)cc1 782327023 GAUACZCRWITVSC-FPLPWBNLSA-N 323.339 4.935 30 20 DJED CC[C@]1(C)Oc2ccc(N[C@@H](C)c3ccc(C#N)cc3)cc2O1 785572286 YUJNXFZFOOJPDT-ORAYPTAESA-N 308.381 4.629 30 20 DJED CC(/C=C/C(=O)c1sccc1C)=C\c1cccc([N+](=O)[O-])c1 787170208 TUWAFXVLLSFGPT-AOQSKOSGSA-N 313.378 4.807 30 20 DJED Cc1c(C(=O)/C=C/c2ccsc2Cl)cccc1[N+](=O)[O-] 790221801 FZKXEVLACLQDKB-AATRIKPKSA-N 307.758 4.514 30 20 DJED O=C1/C(=C\c2ccc(C(F)F)cc2)CCOc2ccc(F)cc21 794936364 DVGIQRMTGUUMGK-LCYFTJDESA-N 318.294 4.812 30 20 DJED CCSc1ccc(C(=O)/C=C\c2ccc(C#N)c(OC)c2)cc1 799497123 IBNGKXNSRFAGBZ-WZUFQYTHSA-N 323.417 4.575 30 20 DJED C=CC[C@H](N[C@H](C)c1ccc(OC)cc1Cl)c1ccncc1 818333161 UMEGQFYFUPZODE-ACJLOTCBSA-N 316.832 4.712 30 20 DJED CC[C@H](N[C@H](C)c1cccc(F)c1F)c1cccc(C#N)c1 902890990 LEACDZZNSJSQSG-PXAZEXFGSA-N 300.352 4.638 30 20 DJED CC(=NNc1cc(C)cc(C)c1)c1sccc1Br 915049758 SLSFVZHQQRFNJF-UHFFFAOYSA-N 323.259 4.964 30 20 DJED Clc1ccc2cccnc2c1CON=Cc1cccs1 917394566 FVLXGRWOMADDDQ-UHFFFAOYSA-N 302.786 4.500 30 20 DJED CCCCCCCC(=O)N1CCC(COc2ccccc2)CC1 919824246 RPEGPLQLJCSJDY-UHFFFAOYSA-N 317.473 4.665 30 20 DJED C[C@H]1C[C@@H](CC(=O)N(CCC#N)CC(C)(C)C)CC(C)(C)C1 1125955322 KWGXVZFAKXMXFL-HOTGVXAUSA-N 306.494 4.627 30 20 DJED CCSc1cc(Cl)ccc1C(=O)O[C@H]1CCC[C@@H](C#N)C1 1129724498 IANYSNMKCMEJMQ-YPMHNXCESA-N 323.845 4.691 30 20 DJED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(Oc3ccccc3)cc2)C1 1129725631 ZEJSRGVJGCVRJM-HNAYVOBHSA-N 321.376 4.718 30 20 DJED CC[C@H]1CC[C@@H](C)N1Cc1ccc(-c2ccccc2C#N)cc1 1168570869 UFSKAHRJPZIMAH-UZLBHIALSA-N 304.437 4.988 30 20 DJED N#Cc1ccc(CN(C2CC2)[C@@H]2CCCc3ccccc32)c(F)c1 1204705843 MKTDPWQBRCQEIZ-OAQYLSRUSA-N 320.411 4.739 30 20 DJED C=C(Cl)CNCc1ccc(-c2cccc(C(F)(F)F)c2)o1 1308281876 DANMCUYBYJSLJK-UHFFFAOYSA-N 315.722 4.808 30 20 DJED C[C@@H](/N=C\c1cc(Cl)ccc1O)c1nc(C(C)(C)C)cs1 1318332961 GNRPHIKLXNRYET-DMHPSONMSA-N 322.861 4.980 30 20 DJED C=CCn1cnnc1S[C@@H](C)c1cc(Cl)ccc1Cl 1319628463 JCCUULJWSLEAFL-VIFPVBQESA-N 314.241 4.624 30 20 DJED Cc1cc2occ(C(=O)Nc3ccc(Cl)c(C#N)c3)c2cc1C 1352798969 QGYVYFZWZURDBA-UHFFFAOYSA-N 324.767 4.827 30 20 DJED N#Cc1cccc(CNC(=O)C2(C3CCCCC3)CCCCC2)c1 1355470231 ZOVZDHCHRLPAMX-UHFFFAOYSA-N 324.468 4.705 30 20 DJED CC[C@H]1CCCCN1Cc1ccc(-c2ccccc2C#N)cc1 1459352963 BPOVYCZWWJFENV-FQEVSTJZSA-N 304.437 4.990 30 20 DJED CC1CC(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 1459937368 WPMPFLVNFZQMAA-UPTPFMHGSA-N 304.437 4.922 30 20 DJED Cc1ccc(Oc2ccccc2CCN[C@H]2CC[C@@H](C#N)C2)cc1 1462342390 NONQGBYXZZWONR-MJGOQNOKSA-N 320.436 4.612 30 20 DJED C=C(CNC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 1465103565 UBVRHWKNYKAWEB-UHFFFAOYSA-N 321.207 4.828 30 20 DJED C[C@H](Nc1ncc(C#N)cc1F)c1ccc(Cl)cc1Cl 1472771685 IZXWGZHBCOSENM-QMMMGPOBSA-N 310.159 4.572 30 20 DJED Cc1c(C#N)cccc1C(=O)N[C@H](c1cccc(F)c1)C(C)(C)C 1518904279 FDWQCUFGFHLZML-GOSISDBHSA-N 324.399 4.523 30 20 DJED CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)CC1(C#N)CCCCC1 1520534474 YXTKLSCUOVHXSL-IRXDYDNUSA-N 304.478 4.572 30 20 DJED CC[C@H](OC(=O)c1cc(C#N)ccc1C)c1ccc(C)c(F)c1 1521213398 MKAQQKYULLLNFC-SFHVURJKSA-N 311.356 4.622 30 20 DJED Cc1cc(CSc2cccnc2C#N)ccc1N1CCCCC1 1613785754 OWPRMRQTXFSEPF-UHFFFAOYSA-N 323.465 4.544 30 20 DJED N#Cc1cccc(NC(=O)N2CCC[C@H]2CCC2CCCC2)c1 1622820522 UIJUMDSFRHKNLM-SFHVURJKSA-N 311.429 4.525 30 20 DJED CN(Cc1ccc(-c2ccccc2C#N)cc1)C[C@H]1CC1(C)C 1647873257 NBSCGERXDFZBPM-LJQANCHMSA-N 304.437 4.703 30 20 DJED CCCCc1ccc([C@H](Nc2cc(C#N)nc(C)n2)C(C)C)cc1 1649432495 UCDRHBNIIXSRRN-HXUWFJFHSA-N 322.456 4.809 30 20 DJED CCOc1ccc(C#N)cc1NCc1ccc(CC(C)C)cc1 1651183734 FBPUMXQHUAUBLK-UHFFFAOYSA-N 308.425 4.768 30 20 DJED CCc1ccc(-c2nc(COc3cccc(C#N)c3)cs2)cc1 1652566616 ZJERRKDOYSWTQB-UHFFFAOYSA-N 320.417 4.823 30 20 DJED CC(C)(C)[C@H]1CN(c2nc(C#N)c(Cl)s2)c2ccccc21 1655427541 CQVAXUMXTRZEJE-NSHDSACASA-N 317.845 4.950 30 20 DJED N#CC1(CCN[C@H]2CCC[C@H]2Cc2ccccc2)CCCCC1 1658292404 MQQOHOHPIOANHM-PMACEKPBSA-N 310.485 4.852 30 20 DJED CCC[C@@H](Cc1ccccc1)Nc1ccc(F)cc1OCC#N 1658791963 UGDLIRGQNHPGET-KRWDZBQOSA-N 312.388 4.551 30 20 DJED C[C@]1(CN[C@@H]2CCCc3cc(C#N)ccc32)C[C@@H]1c1ccccc1 1665022154 LTFQWMQDZDCYTO-YPAWHYETSA-N 316.448 4.719 30 20 DJED C[C@H](CCC#N)CN[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 1665031978 MLCGBHMTYKRLEI-QGPMSJSTSA-N 304.865 4.896 30 20 DJED CCCCCCCCCC[C@H](C)Nc1cnc(C(=O)O)cn1 1776785291 QJBBXOUIUZZTNO-AWEZNQCLSA-N 307.438 4.506 30 20 DJED Cc1nc(C(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1C#N 31873057 IXIVGWOKAYKEJN-UHFFFAOYSA-N 321.424 4.761 30 20 DJED N#Cc1c(Cl)cccc1NCc1cccc(C(F)(F)F)c1 48935824 WDDDOFXIQVMPKJ-UHFFFAOYSA-N 310.706 4.843 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1sccc1-c1ccccc1 58287759 KIEBRJOYPBFAIJ-UHFFFAOYSA-N 318.401 4.848 30 20 DJED CCOc1cc(C#N)ccc1OCc1cccc(C(F)(F)F)c1 72100002 PARXIRXFYXXJON-UHFFFAOYSA-N 321.298 4.555 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1cccc(COC(C)(C)CC)c1C 78797047 FIQUUQXAORHFKL-CQSZACIVSA-N 318.461 4.786 30 20 DJED CCCCN1Cc2cccc(N[C@@H](C)c3ccc(C#N)cc3)c2C1 118443307 BDQDAGVWHLOEDY-INIZCTEOSA-N 319.452 4.847 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 131219223 ZKSOOVVZDMFUNF-INIZCTEOSA-N 318.420 4.786 30 20 DJED CC(C)c1ccc(NC(=O)N2CCC(C#N)CC2)c(C(C)C)c1 171516465 GQMXPVCNTBEOAT-UHFFFAOYSA-N 313.445 4.701 30 20 DJED CC[C@@H](NCc1cc(C#N)ccc1F)c1cccc(Cl)c1 173450779 CBLCRXYQQYGEPM-QGZVFWFLSA-N 302.780 4.592 30 20 DJED CCc1c(C(=O)/C=C\c2ccc(OC)c(O)c2)oc2ccccc12 211278973 HOKCIIWKKFYSGZ-NTMALXAHSA-N 322.360 4.606 30 20 DJED N#Cc1cccc(CC/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)c1 329114698 SKNWBIIEQBXCHB-IPMKNSEASA-N 310.441 4.664 30 20 DJED OC(=Nc1ccc2c(c1)oc1ccccc12)[C@@H]1C[C@@]12CCOC2 329603290 LIGATIQMRONWIX-HNAYVOBHSA-N 307.349 4.601 30 20 DJED C=CCCCCCN(C)C(=O)Nc1cc(OC)c(C)cc1C 434896869 QVDRSMNHDOKPRH-UHFFFAOYSA-N 304.434 4.522 30 20 DJED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc2cc(C)c(C)cc2o1 436294694 GKITXNGYXNHKSG-FTRWYGJKSA-N 313.441 4.681 30 20 DJED Cc1ccccc1COc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1 442854347 KTNZVVWJYJBNIE-VQIMIIECSA-N 306.409 4.678 30 20 DJED CC#CCCCC(=O)N(Cc1ccccc1)Cc1ccccc1F 467432301 JNOIMLHBSHFIGM-UHFFFAOYSA-N 323.411 4.548 30 20 DJED CC(C)c1nc2sc3c(c2c(-c2ccncc2)c1C#N)CCC3 478263060 RUGZYVOTRUXKKI-UHFFFAOYSA-N 319.433 4.842 30 20 DJED C=C[C@H]1CCCCN1Cc1coc(-c2ccc(Cl)cc2)n1 489440830 PZXOHQGNQBBLMY-INIZCTEOSA-N 302.805 4.536 30 20 DJED Cc1ccc(-c2cncc(F)c2)cc1NCCCC(C)(C)C#N 509490625 BKZQAJXMURLMGW-UHFFFAOYSA-N 311.404 4.938 30 20 DJED C=C(C)[C@@H](CC(=O)Nc1ncc(C2CCCCC2)s1)OCC 543856887 PMYZVEKQDIKEJB-CQSZACIVSA-N 322.474 4.501 30 20 DJED C[C@H]1CCCC[C@H]1c1noc(CSc2ccc(C#N)cc2)n1 544758106 WPXYDNKUQWWUGP-SWLSCSKDSA-N 313.426 4.527 30 20 DJED Cc1csc(N(C(=O)CCCCCC#N)c2ccccc2)n1 588815038 GNLXUODUMKMMCE-UHFFFAOYSA-N 313.426 4.590 30 20 DJED C=C(C)COc1cccc(NC(=O)[C@H]2CCCc3ccccc32)c1 589383003 SWBQOEAOSWHPMH-FQEVSTJZSA-N 321.420 4.700 30 20 DJED CCCCC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 603532786 SVPZMQSAENFATG-UHFFFAOYSA-N 324.399 4.729 30 20 DJED C[C@@H](SCc1ccc(C#N)cc1F)c1cc(F)ccc1F 604070863 SQTHKPRAQMXYGG-SNVBAGLBSA-N 307.340 4.970 30 20 DJED Cc1ccc([C@@H]2CCCCCN2Cc2ccc(OCC#N)cc2)o1 738344301 YYWDPHRPWDEWEY-IBGZPJMESA-N 324.424 4.608 30 20 DJED Cc1ccc2cc(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)oc2c1 754828131 FBUITZPVZQSMKX-WEVVVXLNSA-N 307.305 4.546 30 20 DJED O=C(/C=C\c1cc(F)cc(F)c1)c1ccc(-c2ccncc2)cc1 755600929 LDLNVOUTPQKUJK-BHQIHCQQSA-N 321.326 4.923 30 20 DJED Clc1cccc(CNN=Cc2c(Cl)cccc2Cl)c1 756827538 PPFLZMYBGZXFGJ-UHFFFAOYSA-N 313.615 4.771 30 20 DJED C=CCC(CC=C)C(=O)OCc1csc(-c2ccsc2)n1 759005975 LPXCTBRDMJVXLT-UHFFFAOYSA-N 319.451 4.683 30 20 DJED C=CCC[C@H](CCC)NC1CCC(O)(c2ccccc2)CC1 760909273 PJVURHMFCPIIRX-HDYDNRTBSA-N 301.474 4.541 30 20 DJED O=C(/C=C/c1ccc(Cl)nc1Cl)c1csc(Cl)c1 761484670 AFXMQCLKMAKUOD-HNQUOIGGSA-N 318.612 4.999 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C/C(=C/C)CC 764591179 QMOQKNGFTHKSBK-XQCUBCESSA-N 309.862 4.829 30 20 DJED COCc1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1 766284821 ZBKDIFVFNOTBMK-UHFFFAOYSA-N 310.180 4.596 30 20 DJED O=C(/C=C\c1ccc(F)cc1Br)c1ccsc1 767730545 YZOUAHMPRJYMOI-RQOWECAXSA-N 311.175 4.546 30 20 DJED CCN(Cc1c(O)cccc1Cl)[C@H](C)c1ccc(C#N)cc1 768512952 NDCNWIZDLCYDAJ-CYBMUJFWSA-N 314.816 4.500 30 20 DJED CC(C)Oc1ccc([C@H]2CCCC2=NO[C@H]2CCCCO2)cc1 776774937 DGCBFODCFDWQRK-MJGOQNOKSA-N 317.429 4.641 30 20 DJED C#CCC1(C(=O)O[C@@H](C)c2nc(C3CC3)cs2)CCCCC1 788463311 RGSVHNCWJKDPSK-ZDUSSCGKSA-N 317.454 4.599 30 20 DJED CC(C)(C)c1cnc(/C=C\C(=O)c2ccc(F)cc2F)s1 790603167 YVHFPPSNRGQCMS-SREVYHEPSA-N 307.365 4.615 30 20 DJED C=CCCCCC[C@H](C)N[C@H](C)c1ccc([S@@](C)=O)cc1 793545363 BMFGBVCIBUZUHB-GCKMJXCFSA-N 307.503 4.600 30 20 DJED C=CCN(C(=O)Nc1cc(Cl)c(Cl)cc1F)C(C)C 799243064 QEIPQYOYFBOGCC-UHFFFAOYSA-N 305.180 4.561 30 20 DJED C#CCCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 801090557 JCOMGJMPIOEPNZ-ACDBMABISA-N 309.453 4.507 30 20 DJED C#CC[C@H](N[C@@H](C)c1nccc2ccccc12)c1ccccc1 810228931 OFYOLVGBWZFSMB-JXFKEZNVSA-N 300.405 4.650 30 20 DJED CCc1ccc(NC(=S)N(C)[C@@H](C)c2cccc(C#N)c2)cc1 819027469 CQBSKLVZGLBLJP-AWEZNQCLSA-N 323.465 4.510 30 20 DJED CC[C@H](C)c1ccc([C@H](C)NCc2ccc(OCC#N)cc2)cc1 858377262 XACPVAWLDUAOSG-IRXDYDNUSA-N 322.452 4.953 30 20 DJED N#Cc1ccc(OCCCNc2cccc3ccccc23)cc1 917803618 TWEFPFPILJROFW-UHFFFAOYSA-N 302.377 4.592 30 20 DJED Cc1cc(Nc2ccc(Oc3cccnc3)c(C)c2)ncc1C#N 1184999129 PEZKUIJHQQDBIT-UHFFFAOYSA-N 316.364 4.501 30 20 DJED CC(C)(C)N(Cc1ccsc1)Cc1ccc(F)cc1C#N 1196024263 XWYDUXBKJIBJMD-UHFFFAOYSA-N 302.418 4.560 30 20 DJED C=CC(C)(C)c1nnc([C@@H](C)Oc2ccc3ccccc3c2)o1 1327837128 BJNZQAKRYNCEFH-CYBMUJFWSA-N 308.381 4.826 30 20 DJED CCC(C)(C)c1ccc(C(=O)Nc2cc(C#N)ccc2OC)cc1 1434913562 OFGPSAXSYASPRL-UHFFFAOYSA-N 322.408 4.507 30 20 DJED Cc1ccnc(N[C@H](c2ccc(F)c(Cl)c2)C2CC2)c1C#N 1458383875 NQCSKKZMSXJZKL-INIZCTEOSA-N 315.779 4.617 30 20 DJED CC1(C)CN(Cc2ccc(Cl)cc2C#N)[C@@H]1c1cccs1 1460197029 NNJGEQRNFBCIHH-MRXNPFEDSA-N 316.857 4.856 30 20 DJED C[C@@H](Cc1ccccc1C(F)(F)F)Nc1cccc(C#N)c1 1462030019 SXHBJZQZXKKOBM-LBPRGKRZSA-N 304.315 4.620 30 20 DJED CC(C)c1ccc2c(c1)CN(Cc1ccc(Cl)cc1C#N)CC2 1473624351 VZMWSTMVXRWUOJ-UHFFFAOYSA-N 324.855 4.893 30 20 DJED CC1=C(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)CCC1 1527165278 SHGUJAACZQJEPQ-JQWIXIFHSA-N 314.454 4.744 30 20 DJED CCC[C@H]1CCC[C@@H]1C(=O)N(c1ccccc1C#N)C1CCC1 1528687264 WLIFIPQLDHIZGB-YJBOKZPZSA-N 310.441 4.660 30 20 DJED CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cc(C(C)(C)C)sc1C#N 1535488859 REKHTPMNXAGKCT-PIGZYNQJSA-N 304.459 4.538 30 20 DJED CCCC[C@H](C(=O)N[C@H](CCC#N)c1ccccc1)C(C)C 1545081836 CWIBWNJLABGNEV-ZWKOTPCHSA-N 300.446 4.610 30 20 DJED CCOc1ccc(C#N)cc1N[C@H](C)CCc1ccccc1F 1560744497 NKOGRJJDGSCPSE-CQSZACIVSA-N 312.388 4.529 30 20 DJED CC[C@@H](Cc1ccccc1)N(CC)Cc1ccc(C#N)cc1C 1616274279 ARDVHQNNVJZYKF-NRFANRHFSA-N 306.453 4.710 30 20 DJED Cc1ccc([C@H]2[C@@H](C)CCCN2c2nccc(C)c2C#N)cc1 1642334913 RPYDXKWQYDUPTH-QFBILLFUSA-N 305.425 4.548 30 20 DJED Cc1cccc(C2=CCN(c3ncc(Cl)c(C)c3C#N)CC2)c1 1650915643 IBKJFFBGOZKVBT-UHFFFAOYSA-N 323.827 4.517 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CC[C@@H](Cc2ccccc2)C1 1652372436 ULRSWVPKIPFLDR-WEYGHZABSA-N 316.448 4.547 30 20 DJED Cc1ccc(C#N)c(NCC2(c3ccc(F)cc3)CCCCC2)n1 1655027791 JYAYUTSWCHJLAX-UHFFFAOYSA-N 323.415 4.715 30 20 DJED Cc1ccc([C@@H](C)CN2CCC(c3ccc(C#N)cc3)CC2)cc1 1660792556 IBDGJAYPFQCXMC-SFHVURJKSA-N 318.464 4.850 30 20 DJED CC(=NNc1cccc(Cl)c1Cl)c1ccc(C(=O)O)cc1 1776081024 RZTAJPGTCCELNE-UHFFFAOYSA-N 323.179 4.528 30 20 DJED CC(CCCCCCC(=O)O)=NNc1cccc(F)c1Cl 1776093266 GYVDSNNTUJASEP-UHFFFAOYSA-N 314.788 4.692 30 20 DJED CC[C@H](C)c1ccc(C(=O)/C=C\c2cccc(CC(=O)O)c2)cc1 1776697664 MAKUTZBPNHFFED-XCHKQJEOSA-N 322.404 4.723 30 20 DJED CC(C)C[C@@H](/N=C(\O)CC(C)(C)CC(=O)O)c1ccccc1 29010548 SEBZUFJUDMHJIU-OAHLLOKOSA-N 305.418 4.621 30 20 DJED CC(C)(C)CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 76606563 LYHIHVITPFEJBI-SNVBAGLBSA-N 306.818 4.562 30 20 DJED COc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1Cl 112525280 JZUFOZFPCCPXFY-QWHCGFSZSA-N 314.816 4.632 30 20 DJED COc1ccc(CNc2cc(C)cc(C)c2)cc1OCCCC#N 114760197 OXFBHYNGXCROCT-UHFFFAOYSA-N 324.424 4.607 30 20 DJED C=C[C@@H](CC(=O)Nc1cc(C)c(O)c(C)c1C)c1ccccc1 185640923 HMIOOAJJDAOAGK-INIZCTEOSA-N 309.409 4.616 30 20 DJED C=CCOc1ccccc1CN[C@H](C)c1csc(C(C)C)n1 186332871 QIAJBDQWNZNNAW-CQSZACIVSA-N 316.470 4.682 30 20 DJED CCCc1ccc(C(=O)/C=C\c2ccc(O[C@H](C)C#N)cc2)cc1 208264403 QBXGYJMTCZZVQW-IHWMJMDHSA-N 319.404 4.826 30 20 DJED Cc1ccc(-c2nc(/C=C\C(=O)c3cncc(F)c3)cs2)cc1 255027863 JTMPKKUWFITHKU-SREVYHEPSA-N 324.380 4.549 30 20 DJED CC1(/C(O)=N/Cc2cccc(-c3ncc[nH]3)c2)CCCCCC1 329713616 RSXQYSZLEHBSEJ-UHFFFAOYSA-N 311.429 4.894 30 20 DJED CCCC(CCC)C(=O)Nc1ccccc1SCCC#N 410453527 BTNRHLPXFVQYJX-UHFFFAOYSA-N 304.459 4.847 30 20 DJED C=C(C)C(C)(C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 424768283 HNSYKIQRCQOFED-UHFFFAOYSA-N 305.849 4.648 30 20 DJED C=CCC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 442820164 ARPJBILHSFSAIH-XKQJLSEDSA-N 322.374 4.995 30 20 DJED CCC[C@H]1CCC[C@H]1C(=O)Nc1ccc(CC#N)cc1Cl 452649865 ULPQRRQLWGIBNF-UONOGXRCSA-N 304.821 4.561 30 20 DJED C=CCOc1ccc(CN[C@H](C)CCSCC)cc1Cl 464050951 TZLNZVSHCLIPHL-CYBMUJFWSA-N 313.894 4.526 30 20 DJED C=CC[C@H](CC)NC(=O)N1CCCC[C@H]1c1ccc(F)cc1F 466407152 AZCBEOKZVPRZHB-YOEHRIQHSA-N 322.399 4.556 30 20 DJED CC(C)c1ccc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc1 474443906 FTRQYCITHWKHQV-OAHLLOKOSA-N 312.438 4.880 30 20 DJED C[C@H](CC1CCCCC1)NC(=O)C[C@@H](CC#N)c1ccccc1 477098213 HQSVNCVULFGOPT-VQIMIIECSA-N 312.457 4.549 30 20 DJED Cc1ccc(-c2ccc(C)c(NC(=O)c3cc(C#N)cs3)c2)o1 477548207 CGAMZDVWGNZOCB-UHFFFAOYSA-N 322.389 4.749 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(Br)cc1CC 478350628 AGLVXACHCUGYST-UHFFFAOYSA-N 322.246 4.718 30 20 DJED C=CCC(CC=C)C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 479472268 NCZBZXHLQSTSAO-LJQANCHMSA-N 313.416 4.646 30 20 DJED C=CCCCC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 479525143 IXCPPFUNHLAFOL-UHFFFAOYSA-N 311.347 4.553 30 20 DJED C=CCSc1ccccc1C(=O)Nc1ccc(F)cc1C 485453593 KQHWTTLVGATLCQ-UHFFFAOYSA-N 301.386 4.665 30 20 DJED C=CCSc1ccccc1C(=O)Nc1cccc2cccnc12 485754784 NALGFNVYHVGEAT-UHFFFAOYSA-N 320.417 4.765 30 20 DJED N#Cc1cc(F)ccc1CSCc1cccc(OC(F)F)c1 488572474 WTWWDPYXUQZZBP-UHFFFAOYSA-N 323.339 4.732 30 20 DJED Cc1nc(C)c(C#N)c(S[C@@H](C)c2ccc(F)c(Cl)c2)n1 497669753 DYLSSYFEQWVSSH-VIFPVBQESA-N 321.808 4.611 30 20 DJED C=CC[C@@H](C)NC(=O)N[C@H](CCc1ccccc1)c1ccccc1 523949276 RBOJYXPIFOUHLR-YLJYHZDGSA-N 322.452 4.624 30 20 DJED Cc1ccccc1[C@@H](NC(=O)c1ccc(CC#N)cc1)C(C)(C)C 534725153 JBNBNRMPNJJSQZ-LJQANCHMSA-N 320.436 4.578 30 20 DJED CC[C@@H]1CCc2ccccc2N1C(=O)c1ccc(Cl)c(C#N)c1 538269052 TZBBAHXHBTWWGC-MRXNPFEDSA-N 324.811 4.583 30 20 DJED CC(C)(CCC#N)CN[C@@H]1CCC[C@@H]1c1ccccc1Cl 554074791 GKIWKVKYSLQXGN-NVXWUHKLSA-N 304.865 4.896 30 20 DJED Cc1csc(NC(=O)CCCCCc2cccs2)c1C#N 578553630 ULLGQSOCNAXHJS-UHFFFAOYSA-N 318.467 4.731 30 20 DJED CC1(C)CCC[C@@H](c2noc(C[C@@H](CC#N)c3ccccc3)n2)C1 580635029 UAOOAAMHZPHYAO-IAGOWNOFSA-N 323.440 4.993 30 20 DJED N#CCCCCCC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 588855489 KLVBJJWMYJFPBE-IBGZPJMESA-N 310.441 4.529 30 20 DJED CN(Cc1ccccc1NCC1(CC#N)CC1)C1CCCCC1 594700469 HKRHFBALHAZPKQ-UHFFFAOYSA-N 311.473 4.557 30 20 DJED CCC[C@@H](C)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 603638572 DXPVBWKHGZJUTI-OAHLLOKOSA-N 322.408 4.512 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc(C)cc1OCC 606940833 KNENJKLWMIEXPV-UHFFFAOYSA-N 304.434 4.604 30 20 DJED CCC(CC)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609177318 OSBRCMCGMXRNQX-UHFFFAOYSA-N 308.381 4.725 30 20 DJED CCCCN1Cc2cccc(N[C@H](C#N)C3CCCCC3)c2C1 609677032 MNGVSERLMSMHRD-HXUWFJFHSA-N 311.473 4.687 30 20 DJED C#Cc1cccc(N(Cc2nc(C)c(C)o2)Cc2cccs2)c1 728289638 RJHUERRYOUKLLU-UHFFFAOYSA-N 322.433 4.541 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Cc1c[nH]c2cc(C)ccc12 732644544 WIIPZNVGTHPKGP-UHFFFAOYSA-N 324.468 4.614 30 20 DJED CCCCCCCC(=O)N1C[C@@H](c2ccccc2C)OC[C@H]1C 741990576 PKOOACQPAJJIHU-MJGOQNOKSA-N 317.473 4.644 30 20 DJED O=C(/C=C\c1cnc(C2CCC2)s1)c1cc(F)cc(F)c1 760266603 WWJSOHLTWKTCAC-PLNGDYQASA-N 305.349 4.585 30 20 DJED O=C(/C=C/c1nc2ccc(F)cc2s1)c1cc(F)cc(F)c1 761478374 FCMREWSSZAQVGR-ONEGZZNKSA-N 319.307 4.610 30 20 DJED O=C1/C(=C\c2cnc(C3CCC3)s2)Cc2ccc(Cl)cc21 762447253 NYDFQXJTBOWIJJ-GHXNOFRVSA-N 315.825 4.886 30 20 DJED C[C@@H](CC(=O)OCCCCC(C)(C)C#N)c1cccc(F)c1 768693782 GQQJENAKRRUNCE-AWEZNQCLSA-N 305.393 4.583 30 20 DJED FC(F)(F)c1cccc(CCCC=NOCc2cccnc2)c1 769800536 VZIDVJSFAVJISR-UHFFFAOYSA-N 322.330 4.626 30 20 DJED CC[C@H](C#N)Oc1cccc(CN[C@@H](C)CCC=C(C)C)c1 772985224 UNHBDTWFDDASJY-FUHWJXTLSA-N 300.446 4.592 30 20 DJED C#CC[C@H](N[C@H]1CCSc2c(F)cccc21)c1ccccc1 773105659 IIMFRLMNSCRIIR-ROUUACIJSA-N 311.425 4.717 30 20 DJED C=CC[C@@H](C(=O)OCCCCC(F)(F)F)c1ccccc1 778428775 UGVAXQASSIMUSV-CQSZACIVSA-N 300.320 4.622 30 20 DJED C=CC[C@@H](N[C@H]1CC(C)(C)c2cc(OC)ccc21)c1ccncc1 788989020 TWIKHDVUHFOMEN-UXHICEINSA-N 322.452 4.720 30 20 DJED FC(F)c1ccc(C=NNc2nc(C(F)(F)F)cs2)cc1 794516967 MULIKPMJBJAMDZ-UHFFFAOYSA-N 321.274 4.546 30 20 DJED C=CCC(C)(C)C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 796462134 XGQLWCHQOMEYDP-UHFFFAOYSA-N 319.788 4.641 30 20 DJED CC[C@@H]1CCCC[C@H]1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 796747491 PMXVUGIBLLSRJS-MCIONIFRSA-N 304.459 4.659 30 20 DJED Cc1nn(C(C)C)cc1/C=C\C(=O)c1cc2ccccc2s1 798370088 BVWXQYLTCHTKBE-HJWRWDBZSA-N 310.422 4.883 30 20 DJED COc1cc(/C=C/C(=O)c2cc(C)c(C)o2)ccc1SC 799895325 AGYUKCGNKGUZLI-FNORWQNLSA-N 302.395 4.523 30 20 DJED CC(C)Sc1c(Cl)cccc1NC(=O)c1ccc(C#N)o1 814117902 OBSBDOAERCSCCS-UHFFFAOYSA-N 320.801 4.557 30 20 DJED C=CCCO[C@H](C)C(=O)Nc1ccccc1-c1ccc(C)s1 869833505 PQHSQYBLNKBKEF-CQSZACIVSA-N 315.438 4.643 30 20 DJED CCOc1cccc(/C=N\[C@H](C)c2cc(C)sc2C)c1O 914702060 VTJJPIGCELGYND-HIPMGEKLSA-N 303.427 4.649 30 20 DJED CN(C)c1ccc(C(=O)/C=C\c2cccc(C(F)(F)F)c2)cc1 916130839 GQCMBPHGOTWIRW-WDZFZDKYSA-N 319.326 4.668 30 20 DJED CCCCCCCCC(=O)Nc1cccc(NC(=O)OC)c1 917706347 NYMZERGZSCGLKS-UHFFFAOYSA-N 306.406 4.554 30 20 DJED Cc1ccc(C#N)cc1C(=O)N(c1ccc(F)cc1)C1CCCC1 1127147883 ZOSXKCIANCMRPM-UHFFFAOYSA-N 322.383 4.595 30 20 DJED CCc1ccc([C@H](C)Nc2nc(C(C)(C)C)ccc2C#N)cc1 1185995983 OXZALMRMMOMXAC-AWEZNQCLSA-N 307.441 4.986 30 20 DJED N#Cc1ccc(CNC[C@H]2CCCC[C@@H]2c2ccccc2)c(F)c1 1202417281 JTTJAAWTMPBVRJ-UYAOXDASSA-N 322.427 4.761 30 20 DJED N#Cc1ccc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)s1 1261569966 ZRDPVAUAGIXAKS-UHFFFAOYSA-N 322.176 4.644 30 20 DJED CCCC(C#N)(CCC)NC(=O)c1c(CC)oc2ccccc12 1319498982 CVVQNTRGRLUTOR-UHFFFAOYSA-N 312.413 4.588 30 20 DJED C=C[C@@H](Cc1nnc(CCCc2ccccc2)o1)c1ccccc1 1322984638 YJIPUUAVTASLRX-SFHVURJKSA-N 318.420 4.757 30 20 DJED CC(C)(C#N)CCN(CCc1ccccc1F)C1CCCC1 1459392526 OPRPLZUYWJWYKS-UHFFFAOYSA-N 302.437 4.553 30 20 DJED Cc1ccc([C@@H]2CCC[C@@H]2N(C)Cc2ccc(C#N)c(C)c2)cc1 1474313423 XXNUUXXFLNVQMV-VXKWHMMOSA-N 318.464 4.943 30 20 DJED CC[C@H](C)[C@H](C(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccccc1 1524300795 BBEMVNTXVHIYEM-YRNRMSPPSA-N 321.420 4.992 30 20 DJED CCC(C)(C)c1ccc(C(=O)OCc2ccc(CC#N)cc2)cc1 1534999853 DHYIENVWVTYZGV-UHFFFAOYSA-N 321.420 4.797 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)C[C@@H]1CCCC[C@@H]1C 1565799339 YNQGIDHRORDAKQ-HOCLYGCPSA-N 313.445 4.535 30 20 DJED Cc1c(C#N)cccc1C(=O)OCc1cc(Cl)ccc1Cl 1584765590 WGARTAFBOGQTBO-UHFFFAOYSA-N 320.175 4.531 30 20 DJED N#Cc1sc(N[C@@H]2CCC[C@H](c3ccccc3)C2)nc1Cl 1639882723 KXAHCLFUAGBEPU-QWHCGFSZSA-N 317.845 4.806 30 20 DJED C[C@H]1CCCc2ccccc2[C@H]1Nc1nc(Cl)c(C#N)s1 1642546516 YHXFTPZVMGCKIU-HZMBPMFUSA-N 317.845 4.794 30 20 DJED C[C@@H](CNc1c(C#N)cnc2c(Cl)cccc12)c1ccccc1 1642548780 ZOXNRNZNAVJJOI-ZDUSSCGKSA-N 321.811 4.975 30 20 DJED Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(C#N)c(C)c2)c(C)c1 1644029811 XJWCNYLUAWLFEL-OAHLLOKOSA-N 324.449 4.603 30 20 DJED N#CC1(CCN2CCC[C@H]2Cc2ccc(F)cc2)CCCCC1 1652325081 IZORWJLTUMYJMC-IBGZPJMESA-N 314.448 4.697 30 20 DJED Cc1cccc(CN(Cc2ccc(C#N)cc2C)CC(C)C)c1 1653223035 DVAYRZCKTDNEMP-UHFFFAOYSA-N 306.453 4.833 30 20 DJED C[C@H](CCC#N)CNc1cc(Cl)ccc1OC(F)(F)F 1658162943 JGIVLGQQAMKUQU-SECBINFHSA-N 306.715 4.590 30 20 DJED CC(C)(C)C1CCC(Nc2ccc(F)cc2OCC#N)CC1 1664225995 NYPZORIYKCAGSQ-UHFFFAOYSA-N 304.409 4.745 30 20 DJED CCCCc1ccc(N(C)C(=O)Nc2cccc(C#N)c2C)cc1 1669296738 HTMDSMNDJGANAJ-UHFFFAOYSA-N 321.424 4.878 30 20 DJED CC(C)(C)c1ccccc1/C=C\C(=O)c1ccc(C(=O)O)s1 1776276537 XDOGIPGDXRAHAP-HJWRWDBZSA-N 314.406 4.640 30 20 DJED CCCCCCCCCC[C@@H](C)Nc1ccc(C(=O)O)nn1 1776785175 GXWCTFIERQSIOQ-CQSZACIVSA-N 307.438 4.506 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2cc(Cl)sc2Cl)cc1 18065575 VBNCUZXYVNAUCF-AATRIKPKSA-N 308.189 4.823 30 20 DJED CCN(Cc1cccc(C#N)c1)[C@@H](C)c1cc2ccccc2o1 64348866 PDRBZGIBXBPWCP-HNNXBMFYSA-N 304.393 4.888 30 20 DJED Cc1cccc([C@H]2CCCN2C(=O)Nc2cc(C#N)ccc2C)c1 69606482 UKRAGHSLAQAPTB-LJQANCHMSA-N 319.408 4.544 30 20 DJED CC(C)(C)[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 79436317 VNUPKCWIDVBYNB-GOSISDBHSA-N 321.424 4.662 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc(Br)s2)cc1 97992931 DWJBUWIWFZLTJR-VURMDHGXSA-N 307.212 4.715 30 20 DJED C[C@H](C#N)Oc1ccc(CN[C@H](c2ccccc2)C2CCC2)cc1 105430594 DZGUJJGTCONCEI-IIBYNOLFSA-N 320.436 4.608 30 20 DJED CCCCN(CC)C(=O)Nc1ccccc1SC[C@@H](C)C#N 108532661 ZQRUICUGMUJZOP-AWEZNQCLSA-N 319.474 4.592 30 20 DJED C[C@@H](C#N)CSc1ccccc1N[C@@H](C)c1ccc(C#N)cc1 118443353 DQZLZMPKJZQRID-GJZGRUSLSA-N 321.449 4.983 30 20 DJED CCC[C@H](C(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)C 121739202 QQWHKTQKOMPMLT-CABCVRRESA-N 318.486 4.949 30 20 DJED COc1ccc2cc(CN[C@H](C)c3cccc(C#N)c3)ccc2c1 174430179 WZYIGPPOGJYDKA-OAHLLOKOSA-N 316.404 4.571 30 20 DJED O=C(/C=C\c1ccccc1C(F)(F)F)c1cc(F)ccc1F 211341929 UFTZENXKXVZION-YVMONPNESA-N 312.237 4.880 30 20 DJED C[C@H](/N=C(/O)C1CCCCC1)C(O)=Nc1scnc1C1CC1 328940661 SNKHPZLPJWRKMT-JTQLQIEISA-N 321.446 4.534 30 20 DJED C=CC[C@H](CC)NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 410123813 QSTHSMZDWJPWGV-DOMZBBRYSA-N 313.363 4.670 30 20 DJED COc1ccc([C@H](C)Nc2cccc(OCCCC#N)c2)c(C)c1 414089132 ANWQUURKIRSRIV-INIZCTEOSA-N 324.424 4.859 30 20 DJED Cc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1 427990803 WSHHBQBDENSMPY-UHFFFAOYSA-N 306.390 4.642 30 20 DJED COc1ccc(C#N)cc1CNc1cccc(OC2CCCC2)c1 434882003 YNWMPHLAGUCGFS-UHFFFAOYSA-N 322.408 4.500 30 20 DJED C=CC[C@H]1N(C(=O)Nc2cccc(C)c2C)CCCC1(C)C 436101794 IDVVBRWWFVRMGZ-QGZVFWFLSA-N 300.446 4.902 30 20 DJED C=CCOCCCC(=O)Nc1ccc(C(C)C)cc1C(C)C 463109224 WAAGHHXFQIRELI-UHFFFAOYSA-N 303.446 4.855 30 20 DJED CC(C)c1cccc(CNC(=O)C[C@H](CC#N)c2ccccc2)c1 476739769 AUORFYSMNSDKPB-FQEVSTJZSA-N 320.436 4.514 30 20 DJED Cn1cc(CN[C@H](CC2CCCCC2)c2ccccc2)cc1C#N 480386974 UXEAIENNWFSTCI-OAQYLSRUSA-N 321.468 4.698 30 20 DJED CSc1ccc(CSc2ncc(C#N)cc2Cl)cc1 480817858 CJRMHLFEQHLXIO-UHFFFAOYSA-N 306.843 4.621 30 20 DJED C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 488852880 KJZBLJQGCFSORC-HZSPNIEDSA-N 324.251 4.664 30 20 DJED CC[C@H](C)c1ccc(OCCCC2(C#N)CCOCC2)cc1 499905890 DYQXFFMHSWLJMP-INIZCTEOSA-N 301.430 4.679 30 20 DJED C=CCOc1cccc(NC(=O)c2cccc3c(C)c(C)[nH]c23)c1 510065571 RHCFRGODCQKUAA-UHFFFAOYSA-N 320.392 4.602 30 20 DJED CC(C)c1ccc([C@@H](NCCCSCC#N)C(C)C)cc1 539242880 BHRILLDBRGPVCV-SFHVURJKSA-N 304.503 4.744 30 20 DJED CC(C)c1cccc(N(C)C(=O)Nc2cccc(CC#N)c2)c1 574170038 MQCCKCJIKXIHNG-UHFFFAOYSA-N 307.397 4.544 30 20 DJED COc1ccc([C@H](CCC#N)NCc2ccc([C@H]3C[C@H]3C)o2)cc1 576221655 BLCIQHPMBLLXEM-CCKFTAQKSA-N 324.424 4.546 30 20 DJED Cc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1C(F)(F)F 603501299 WUMDXSRKUPFFDF-UHFFFAOYSA-N 319.286 4.530 30 20 DJED C=CCN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 611809627 CKXBRKWIDSODHA-KBPBESRZSA-N 311.347 4.574 30 20 DJED CCC[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccccn1 619508335 XQWGRWWTPASEBQ-CTNGQTDRSA-N 319.452 4.852 30 20 DJED C#Cc1cccc(NC(=S)N(CC)c2cccc(Cl)c2)c1 726476484 IFUNTIYKFRFQQV-UHFFFAOYSA-N 314.841 4.545 30 20 DJED CCn1cc(C(=O)/C=C/c2cccc(-c3ccccc3C)c2)cn1 729644537 XNIAZEQDQIBUBL-VAWYXSNFSA-N 316.404 4.775 30 20 DJED O=C1/C(=C/c2cc(C(F)(F)F)ccc2F)COc2ccccc21 733204992 GQAFHYYQTDZGMK-YRNVUSSQSA-N 322.257 4.503 30 20 DJED COc1cc(/C=C\C(=O)c2sccc2C)ccc1SC 733749278 IDEMQPTWHHJLSF-XQRVVYSFSA-N 304.436 4.683 30 20 DJED CS[C@@H]1CCC[C@@H](/N=C\c2cc(Cl)cc(Cl)c2O)C1 735229076 QLNWWRLUMIDELX-WQMPTCCOSA-N 318.269 4.792 30 20 DJED N#Cc1cccc(/C=C2\CCCc3ccc(Cl)cc3C2=O)c1 735232248 KFANTRQBLOOVTE-MHWRWJLKSA-N 307.780 4.814 30 20 DJED CC(=NNc1cccc(C(F)(F)F)n1)c1cc2ccccc2o1 739421553 LCBXIPRQLLLOLH-UHFFFAOYSA-N 319.286 4.683 30 20 DJED C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2CCC[C@H](C)C2)c1 741557825 ZXTNVXRZIPRHLX-WMZOPIPTSA-N 321.420 4.620 30 20 DJED CCOc1ccccc1C=NOc1ccccc1C(F)(F)F 754709028 HXXRCTCZRAJDRI-UHFFFAOYSA-N 309.287 4.517 30 20 DJED C#CC[C@H](NCc1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccccc1 756995031 CFRJCKUQDFDHQR-IBGZPJMESA-N 322.408 4.572 30 20 DJED O=C(/C=C\c1cnc(C2CCC2)s1)c1ccccc1Cl 760263771 IECUNNIWCHQDHQ-HJWRWDBZSA-N 303.814 4.960 30 20 DJED C#CCCN1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 760864233 WUCHOSZOHZAPMB-QGZVFWFLSA-N 308.425 4.625 30 20 DJED COc1ccc2oc(/C=C\C(=O)c3ccc(F)c(F)c3)cc2c1 763289347 JENLUXZUXBKRCJ-UTCJRWHESA-N 314.287 4.616 30 20 DJED CC(C)Oc1ccccc1C=NOCc1ccc(C(F)F)cc1 763423137 GBJMWKKTZLSRTH-UHFFFAOYSA-N 319.351 4.962 30 20 DJED C(=NNc1cccc2cnccc12)c1cnc(C2CCCC2)s1 767787384 UGIKCHYZJSJWTK-UHFFFAOYSA-N 322.437 4.795 30 20 DJED C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1CCCCC(C)(C)C#N 769723958 HBEJDVXDHUUZFW-AOIWGVFYSA-N 314.473 4.557 30 20 DJED CC(C)c1nccnc1NN=C1C[C@@H](c2ccccc2)C1(C)C 773086327 QBGSWVOXIFZFGD-HNNXBMFYSA-N 308.429 4.582 30 20 DJED C#CC[C@H](N[C@H](C)c1ccc(OCCC)cc1)c1ccccc1 773115183 MXDNBOVKWFSCCD-UTKZUKDTSA-N 307.437 4.891 30 20 DJED CC(C)(C)c1cc(NC(=O)/C=C/c2ccsc2)c(C#N)s1 774166303 ZDSVUDHRLULKTF-SNAWJCMRSA-N 316.451 4.631 30 20 DJED C=CC[C@H](C(=O)OCc1nc2ccccc2s1)c1ccccc1 777415062 ZQHCARAXQRSWQT-HNNXBMFYSA-N 323.417 4.699 30 20 DJED CC1(C)CC[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)C1 781770081 KCOFRBFXTBWXAS-HUUCEWRRSA-N 324.449 4.813 30 20 DJED Cc1c([C@@H](C)OC(=O)C2(C#N)CCCCC2)oc2ccccc12 792553305 NGECJBJSKVJWPT-CQSZACIVSA-N 311.381 4.820 30 20 DJED C=CC[C@@H](NCc1cc2cccc(CC)c2o1)c1ccncc1 850137213 KSZPCFALCCAZLI-LJQANCHMSA-N 306.409 4.797 30 20 DJED CCCOc1ccc(/C=C\C(=O)c2ccccc2F)cc1OC 916136334 GUADSEPGWRBTPA-NTMALXAHSA-N 314.356 4.519 30 20 DJED COc1cccc(C(C)=NNc2cccc(C(F)(F)F)c2)c1 916259930 JSGXTYNRTGDYTH-UHFFFAOYSA-N 308.303 4.550 30 20 DJED COc1cccc(/C=C2/Cc3cc(C)ccc3C2=O)c1OC(C)C 921264754 YQOXCGDSTAWMFT-BOPFTXTBSA-N 322.404 4.613 30 20 DJED CCC[C@H](CC1CCCC1)C(=O)Nc1cc(F)cc(C#N)c1 1132445259 CASAUFADOIXWIY-OAHLLOKOSA-N 302.393 4.632 30 20 DJED Cc1ccc(C)c([C@H]2CCCN2c2nc(C#N)c(Cl)s2)c1 1162799806 LEHQJXHCUOWUDY-CQSZACIVSA-N 317.845 4.627 30 20 DJED C[C@H](NCc1ccc(F)c(C#N)c1)C1(c2ccccc2)CCCC1 1169383892 URIURYALFVSHQQ-INIZCTEOSA-N 322.427 4.687 30 20 DJED CCCN(CCOc1cccc(C#N)c1)[C@H](CC)c1ccccc1 1307435836 SHFMDXCQVPXXFA-OAQYLSRUSA-N 322.452 4.800 30 20 DJED C=CCC[C@H](NCc1cc(C)[nH]n1)c1ccc(C(F)(F)F)cc1 1324926059 AZRMGNVVLHMPNA-INIZCTEOSA-N 323.362 4.534 30 20 DJED C=CC[C@@H]1CCCN(C(=O)Nc2c(C)cc(Cl)cc2C)C1 1330730559 RMGMCQRNHSDUAC-CQSZACIVSA-N 306.837 4.777 30 20 DJED C=C(CNC(=O)Nc1c(C)cc(Cl)cc1C)c1ccccc1 1346364380 DEMDLXWMSXNXQF-UHFFFAOYSA-N 314.816 4.792 30 20 DJED CC[C@H](CC(C)C)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1349230592 RVXWPOWKDTWQSU-CHWSQXEVSA-N 318.486 4.755 30 20 DJED Cc1c(Cl)cnc(NCCc2cccc3ccccc23)c1C#N 1458164042 ANTZDNDEOKPQIU-UHFFFAOYSA-N 321.811 4.723 30 20 DJED Cc1nc(NC[C@@H]2CCCCC(F)(F)C2)c(Cl)cc1C#N 1458406398 KQYAESWEGGXCHA-LLVKDONJSA-N 313.779 4.543 30 20 DJED CC(C)(C#N)CCN(c1ccccc1)C1Cc2ccccc2C1 1459740629 KEORTZLFWMKZCV-UHFFFAOYSA-N 304.437 4.600 30 20 DJED CC(C)Cc1ccc(CCCC(=O)Nc2ccc(C#N)cc2)cc1 1522032199 KFXAPKOQGITHGH-UHFFFAOYSA-N 320.436 4.718 30 20 DJED CC(C)Cc1cccc([C@H](C)C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c1 1525049770 YEJQMEGHYVPCJY-KVSKMBFKSA-N 313.441 4.614 30 20 DJED Cc1cc2occ(C(=O)O[C@H](C)c3ccc(C#N)cc3)c2cc1C 1533619598 RDFPGBNUJNUIRR-CQSZACIVSA-N 319.360 4.839 30 20 DJED CCN(CCC#N)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 1559578963 XYAXCWZVVZDZBZ-GOSISDBHSA-N 316.807 4.804 30 20 DJED COc1ccc(C#N)cc1CS[C@H](C)c1ccccc1F 1640883825 PTPZIGDRYBTKJJ-GFCCVEGCSA-N 301.386 4.700 30 20 DJED CC(C)(C#N)CCCN1CCC[C@]2(CCCc3ccccc32)C1 1641955780 JOIAVGMSDNIVIF-OAQYLSRUSA-N 310.485 4.686 30 20 DJED N#CCc1cccc(Nc2cc(-c3cccc(Cl)c3)ncn2)c1 1651072140 AZIFTSSBGZHTEU-UHFFFAOYSA-N 320.783 4.607 30 20 DJED N#Cc1c(F)cccc1SCc1csc(-c2ccco2)n1 1652861182 RGARJZBKWUYHNU-UHFFFAOYSA-N 316.382 4.706 30 20 DJED N#Cc1ccc(CCSc2nc3cc(F)ccc3s2)cc1 1653073652 CPVMVTXHXGGWTA-UHFFFAOYSA-N 314.410 4.642 30 20 DJED CCC1(CC)CN(C(=O)Nc2ccc(C#N)cc2)c2ccccc21 1666945963 IRYIANBUBLESSA-UHFFFAOYSA-N 319.408 4.668 30 20 DJED N#Cc1ccccc1-c1ccc(COC(=O)c2cccs2)cc1 22414923 POGOFMNFDANSMQ-UHFFFAOYSA-N 319.385 4.644 30 20 DJED C[C@H]1C[C@@H]1c1ccc(CN(Cc2cc(C#N)ccc2F)C2CC2)o1 30152779 HKHPBHAQXYCOCX-UGSOOPFHSA-N 324.399 4.578 30 20 DJED C[C@H]1CCC[C@H](NC(=O)c2ccccc2-c2ccccc2C#N)C1 33183973 PNMMQQXRESLLLX-RDJZCZTQSA-N 318.420 4.534 30 20 DJED CCCN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 58433115 FBQMMCWAAQSEEQ-UHFFFAOYSA-N 323.396 4.533 30 20 DJED Cc1cccc(N[C@@H](C)c2ccc(C#N)cc2)c1Br 131013232 FVXZZKPPGCCWCR-LBPRGKRZSA-N 315.214 4.802 30 20 DJED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCCCCC#N 178640608 VHOZDSVTKOTXAU-GFCCVEGCSA-N 317.433 4.602 30 20 DJED C[C@H](NCc1ccc(Cl)cc1C#N)c1ccc(Cl)s1 187495466 PIMPDNNRDQTQAY-VIFPVBQESA-N 311.237 4.777 30 20 DJED CC(C)c1ccc(Nc2ncc(C#N)cc2Br)cc1 217275651 YPVPNZAEJYIIIA-UHFFFAOYSA-N 316.202 4.583 30 20 DJED N#Cc1ccc(NCc2ccc(Cl)cc2)cc1Br 228176969 AWVITKLLLJXKST-UHFFFAOYSA-N 321.605 4.586 30 20 DJED CC[C@H](C)[C@H](C(=O)Nc1cc(C#N)ccc1C)c1ccccc1 320292441 QVUUTMPHUWKAQT-LIRRHRJNSA-N 306.409 4.635 30 20 DJED CC(C)(CC1CCCCCC1)/N=C(/O)[C@H]1CCc2n[nH]cc2C1 329942017 COOWFORBJWLQFG-HNNXBMFYSA-N 317.477 4.610 30 20 DJED C[C@H](Sc1ccccc1C#N)c1nccn1-c1ccccc1 344078364 RYKVEHMJQPJLNR-AWEZNQCLSA-N 305.406 4.597 30 20 DJED CC(C)C(=O)Nc1cccc(OCCC2(C#N)CCCCC2)c1 418900798 DOVQEDWSCDZYMM-UHFFFAOYSA-N 314.429 4.524 30 20 DJED N#CCC[C@@H](NCCSCc1ccccc1)c1ccccc1 430776297 OUKNYARMIYHFHJ-LJQANCHMSA-N 310.466 4.554 30 20 DJED C=CC(C)(C)CNC(=O)Nc1cc(C(F)F)ccc1Cl 454986237 FIQLLBJKUQHAPI-UHFFFAOYSA-N 302.752 4.611 30 20 DJED CC(C)(C#N)c1ccc(C(=O)N[C@H]2CCCCC23CCCC3)cc1 462392952 BAVQWUDOJVYDKU-SFHVURJKSA-N 324.468 4.721 30 20 DJED C=CCC(CC=C)C(=O)NC(C)(C)Cc1ccccc1Cl 467842613 ZUUGDRQEEDUPNK-UHFFFAOYSA-N 305.849 4.546 30 20 DJED C[C@@H](CCC#N)Sc1nc2c(n1-c1ccccc1)CCCC2 470458582 KIZVIADOZFKVCT-AWEZNQCLSA-N 311.454 4.535 30 20 DJED C=CCN(C(=O)C[C@H](C)Cc1cccc(F)c1)c1ccccc1 470830997 KBVLSZSKHICVMR-MRXNPFEDSA-N 311.400 4.614 30 20 DJED CC(C)c1ccc(CNC(=O)C[C@@H](CC#N)c2ccccc2)cc1 474689805 RBPDNJCNDYCOHN-HXUWFJFHSA-N 320.436 4.514 30 20 DJED C=CCOCCCSCc1csc(Cc2ccccc2)n1 479605590 IFENTELFLYXDPC-UHFFFAOYSA-N 319.495 4.560 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CSc2ccccc21 481667174 GTSYPVUCYLVJSI-OALUTQOASA-N 320.461 4.762 30 20 DJED C=CCCO[C@@H](C)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C 499727748 VEWAUCHPBSNEDO-GJZGRUSLSA-N 321.486 4.805 30 20 DJED C[C@H](NC(=O)Nc1cccc2ccsc12)c1ccc(C#N)cc1 501267544 AKTSTRPYSRNEHW-LBPRGKRZSA-N 321.405 4.656 30 20 DJED Cc1cc2occ(C(=O)Nc3scc(C)c3C#N)c2cc1C 515090122 MFBDELFRPUMEDC-UHFFFAOYSA-N 310.378 4.544 30 20 DJED CC#CCN(C)[C@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1 550141257 RJSOVRLJIHIBSU-LLVKDONJSA-N 323.223 4.665 30 20 DJED N#C[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)C1 562764115 CLBVSBPFTVVIFJ-IARIHHJXSA-N 322.374 4.623 30 20 DJED CCCCCc1ccc(NC(=O)N2CCC[C@H](CC#N)C2)cc1 596649114 BJCZZFQJIULMIO-QGZVFWFLSA-N 313.445 4.577 30 20 DJED N#CCC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 611394329 CQSJSFZQJZLKJV-NHCUHLMSSA-N 315.420 4.570 30 20 DJED C=C(C)CN(CC)C(=O)N[C@H](c1ccc(CC)cc1)C(C)C 611736248 NDERDRKTTDWSNT-SFHVURJKSA-N 302.462 4.554 30 20 DJED C=C(Cl)CNC(=O)N(CCC)[C@@H](C)c1cc2ccccc2o1 736400536 WXKIXSPKCNYZML-ZDUSSCGKSA-N 320.820 4.668 30 20 DJED N#CCN(Cc1cc2oc3ccccc3c2cc1O)C1CCCC1 738255289 NFOGTRVJPJFJII-UHFFFAOYSA-N 320.392 4.560 30 20 DJED CC(=NNc1ccc(Cl)nc1)c1ccc(-c2ccncc2)cc1 745201846 XAOBPZJKZCIUJY-UHFFFAOYSA-N 322.799 4.633 30 20 DJED Cc1ccc2ncc(/C=C/C(=O)c3oc4ccccc4c3C)n2c1 771850284 OWWCIHRULRQICA-CMDGGOBGSA-N 316.360 4.593 30 20 DJED FC(F)(F)CCON=Cc1ccc(Cl)c(C(F)(F)F)c1 777455585 JPMWEZSBAVRPSW-UHFFFAOYSA-N 319.632 4.662 30 20 DJED CCc1oc2ccccc2c1C=NOCc1ccc2c(c1)COC2 778025572 YKGJRENGAVVEKX-UHFFFAOYSA-N 321.376 4.576 30 20 DJED CCCn1nc(C)c(/C=C\C(=O)c2csc(Cl)c2)c1C 787185802 IYRQOSJUECLZMA-WAYWQWQTSA-N 308.834 4.521 30 20 DJED CCCCCCCCS(=O)(=O)[C@@H](C)c1ccc(F)c(F)c1 790148335 GWFHBTNVFIWEAN-ZDUSSCGKSA-N 318.429 4.801 30 20 DJED O=C(/C=C/c1cscc1C(F)(F)F)c1ccc(O)c(F)c1 811690015 RIGBUBOTYFBQRV-NSCUHMNNSA-N 316.275 4.508 30 20 DJED Cc1cc(C(=O)/C=C/c2cc(O)cc(C(F)(F)F)c2)oc1C 811692037 WQCSEFGBPBXAMN-ONEGZZNKSA-N 310.271 4.517 30 20 DJED c1ccc(C[C@H]2CCC(=NNc3ncnc4ccsc34)C2)cc1 814878997 MUIFPTXFPBZHJZ-CQSZACIVSA-N 322.437 4.502 30 20 DJED CC(C)c1cnc(C=NOc2ccccc2C(F)(F)F)s1 814888380 XKJLQWZUJIJOKI-UHFFFAOYSA-N 314.332 4.698 30 20 DJED C/C(=C\c1ccc(C)cc1)C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842942262 XBFLOYFYPWAKFU-WQMJKPAKSA-N 322.433 4.609 30 20 DJED CC(C)c1cccc(C[S@](=O)CCCCC2(C#N)CCC2)c1 899413666 PMQQJTKKZCWDFR-JOCHJYFZSA-N 317.498 4.923 30 20 DJED O=C1/C(=C\c2cccc(C(F)(F)F)c2)Cc2c(F)cccc21 921264403 SPFUZOCTOLXLRY-XFFZJAGNSA-N 306.258 4.667 30 20 DJED O=C1C(=Cc2ccc(-c3ccccc3)s2)C(=O)c2ccccc21 1115813818 MIIGFROXJXWRON-UHFFFAOYSA-N 316.381 4.878 30 20 DJED CC(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3)c2C#N)C1 1129397968 LLKYVJNIDXECDB-CQSZACIVSA-N 324.449 4.633 30 20 DJED C=C(CNC(=O)c1ccc(OC(CC)CC)cc1)c1ccccc1 1129475919 RTESZCAGUOXLNO-UHFFFAOYSA-N 323.436 4.697 30 20 DJED N#Cc1ccc(C2=CCN(CC/C=C\c3ccccc3)CC2)cc1 1168875644 YZDYPIDGTAEDGQ-YWEYNIOJSA-N 314.432 4.751 30 20 DJED CC[C@H](c1ccccc1)N(CC)Cc1ccc(C#N)cc1OC 1190651812 QVWSULXFDYYNFR-LJQANCHMSA-N 308.425 4.540 30 20 DJED Cc1cc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)ccc1Cl 1280387353 KTDJDQAEXIKJEA-UHFFFAOYSA-N 324.811 4.719 30 20 DJED C[C@H]1C[C@@H]1c1ccc(CN(c2cccc(F)c2C#N)C2CC2)o1 1306927991 NEFJJDITEOWUPU-WFASDCNBSA-N 310.372 4.583 30 20 DJED Cc1nc(N[C@@H](C)c2ccc(F)c3ccccc23)ccc1C#N 1307134933 TXTDNKZDWLEQPO-ZDUSSCGKSA-N 305.356 4.727 30 20 DJED CC[C@@H](Cc1ccccc1C)c1nnc(-c2ccc(C#N)cc2)o1 1329323635 JEBJFGXLZYFOBH-INIZCTEOSA-N 317.392 4.653 30 20 DJED CC[C@H](CC(C)C)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1349230594 RVXWPOWKDTWQSU-QWHCGFSZSA-N 318.486 4.755 30 20 DJED CC(C)(C)c1ccc(CCC(=O)Nc2cccc(CC#N)c2)cc1 1460141351 JWSKMEUOKNGYKT-UHFFFAOYSA-N 320.436 4.621 30 20 DJED C[C@H](CC(C)(C)C#N)Nc1cccc(Cl)c1OCC(F)F 1474563508 QWHWTYJWSIDVBO-SNVBAGLBSA-N 316.779 4.724 30 20 DJED Cc1ccccc1-c1ccccc1C(=O)O[C@H]1CCC[C@H](C#N)C1 1528497515 NJAZNJDLWRSSGW-IRXDYDNUSA-N 319.404 4.901 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 1537067548 HYCSHPQJCQJDNH-WSTLGDPDSA-N 324.468 4.684 30 20 DJED N#Cc1cccc(N[C@@H](c2cccc(Cl)c2)C2CCCC2)n1 1559144757 YGFGXTNWTIMPFK-GOSISDBHSA-N 311.816 4.950 30 20 DJED CCCOc1cccc(CNc2cc(C#N)ccc2OC(C)C)c1 1620962763 REFDCVQREAYKAE-UHFFFAOYSA-N 324.424 4.746 30 20 DJED C=C(CNC(=O)N[C@@H](c1ccccc1)C1CCC1)c1ccccc1 1631267921 FFAOAQXJLYMXEU-FQEVSTJZSA-N 320.436 4.540 30 20 DJED C[C@H]1C[C@H](CCNc2nc(Cl)c(C#N)s2)CC(C)(C)C1 1651022696 JAIAPQUKZBZRBN-QWRGUYRKSA-N 311.882 4.933 30 20 DJED CC(C)(C)CN(Cc1ccccc1)c1ncc(C#N)cc1Cl 1651503864 WMBPIHJUYMTSBP-UHFFFAOYSA-N 313.832 4.659 30 20 DJED Cc1cc(C)c(CN(Cc2ccc(C#N)cc2)C(C)C)c(C)c1 1653248247 NCFDAJYJPRONJM-UHFFFAOYSA-N 306.453 4.894 30 20 DJED Cc1cc(C#N)ccc1CN1CCC(c2ccc(F)cc2C)CC1 1653736030 KVEOOQPPQJEJLS-UHFFFAOYSA-N 322.427 4.694 30 20 DJED CN(Cc1cccc(C#N)c1)[C@@H]1CCCC[C@H]1c1ccccc1 1653896408 XKXBTRMZFCNHQA-LEWJYISDSA-N 304.437 4.716 30 20 DJED CC(C)Oc1ccccc1CNc1nc(C(C)(C)C)ccc1C#N 1655011019 UPXHBQCXWQHYEV-UHFFFAOYSA-N 323.440 4.650 30 20 DJED Cc1cc(CN2CC=C(c3cccc(C)c3C)CC2)ccc1C#N 1660872758 BBIJPLNNPFZZPL-UHFFFAOYSA-N 316.448 4.773 30 20 DJED CCC(CC)(CNCc1ccc(C#N)c(C)c1)c1ccccc1 1661607125 MWWUGSXDZLSLNC-UHFFFAOYSA-N 306.453 4.714 30 20 DJED Cc1cc(C#N)cc(NC(=O)N2CCC[C@@H](C(C)(C)C)CC2)c1 1670905400 BXPOQKZKTZHQSH-MRXNPFEDSA-N 313.445 4.547 30 20 DJED CC(C)c1cccc(C(=O)/C=C\c2ccc(C(=O)O)c(F)c2)c1 1776375363 KQLFZMYCIZJOOD-CLFYSBASSA-N 312.340 4.543 30 20 DJED CCc1nnc(Oc2cc(Cl)ccc2Cl)c(C#N)c1CC 125021380 PXZAFPLEAUJORN-UHFFFAOYSA-N 322.195 4.572 30 20 DJED C[C@H](CCc1ccc(F)cc1)Nc1ccccc1O[C@H](C)C#N 162272769 AITXOLHLIVPPAF-HUUCEWRRSA-N 312.388 4.550 30 20 DJED CC[C@@H](C)Oc1ccc(N[C@@H](C)c2ccc(OCC#N)cc2)cc1 180085404 PIFSDFDLGGNLQU-CVEARBPZSA-N 324.424 4.939 30 20 DJED Cc1cc(Br)c(F)cc1NCCCC(C)(C)C#N 224368846 IZCXDYGIHOMWER-UHFFFAOYSA-N 313.214 4.639 30 20 DJED C=CCN(C(=O)C[C@@H]1C=CCC1)c1nc(-c2ccccc2)cs1 247992994 LIIGALQDTUFMHP-OAHLLOKOSA-N 324.449 4.685 30 20 DJED Cc1ccccc1C=NOCc1nc(-c2cccs2)oc1C 254977102 AXYKEWPHEWMUCG-UHFFFAOYSA-N 312.394 4.571 30 20 DJED C=C(C)[C@@H](N[C@H](C)c1cnccc1C)c1ccc(F)c(F)c1 274724262 AEAJNWAVNNETPX-FZKQIMNGSA-N 302.368 4.636 30 20 DJED CC(C)(C#N)CCCC[S@](=O)[C@H]1CCCc2ccccc21 278341490 UXVNUTOQRLNXTE-UWJYYQICSA-N 303.471 4.533 30 20 DJED CC(C)(C#N)Cc1nc(C2CCC(c3ccccc3)CC2)no1 296265632 BXVKIMHVZMJQEU-UHFFFAOYSA-N 309.413 4.603 30 20 DJED CC[C@@H](Nc1ccc(C#N)cc1)c1ccccc1OC(F)F 301283449 QSOKHXGULRKHCT-OAHLLOKOSA-N 302.324 4.723 30 20 DJED Cc1ccc(-c2nc(CNc3c(Cl)cccc3C#N)co2)cc1 301416219 FNTUSOBSXRTKPT-UHFFFAOYSA-N 323.783 4.787 30 20 DJED C=C(C)[C@@H](Nc1ccc(Cl)c(C#N)n1)c1ccc(F)c(F)c1 302356472 DSLXZFSUWVMYSQ-MRXNPFEDSA-N 319.742 4.614 30 20 DJED COC[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 302848420 HRVZZVBPERPXRC-INIZCTEOSA-N 321.207 4.665 30 20 DJED N#Cc1ccc(N=C(O)N2CCCC23CCCCC3)c(Cl)c1 328815934 GTMUQLYRGJQJLL-UHFFFAOYSA-N 317.820 4.556 30 20 DJED N#C[C@H](/N=C(/O)[C@@H]1CCSc2ccccc21)C1CCCCC1 328992935 IVQVNIVMLHAHDG-CVEARBPZSA-N 314.454 4.695 30 20 DJED CC(C)Cc1nc(-c2cn(CCC#N)c3ccccc23)cs1 338420985 IAJMMEQXNYFFFH-UHFFFAOYSA-N 309.438 4.877 30 20 DJED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1nccc2ccccc12 353255731 OBSFNZHGOZZBFA-JXFKEZNVSA-N 315.420 4.930 30 20 DJED CCC[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1 353851550 MEOJGQDKYPDNNR-VQTJNVASSA-N 320.436 4.732 30 20 DJED C[C@H](CCc1ccccc1F)N[C@@H](CCC#N)c1ccccc1 358340986 NGBMJOUKVLWESK-UZLBHIALSA-N 310.416 4.781 30 20 DJED C[C@H](c1ccc(Oc2ccccc2)cc1)[S@](=O)CCCC#N 417175539 BDSUUDIMQYNSOH-IVZQSRNASA-N 313.422 4.592 30 20 DJED Cc1ccc(C2CC2)c(C(=O)N[C@H](C#N)c2ccccc2Cl)c1 425559005 GBLZQUKFQXCINC-GOSISDBHSA-N 324.811 4.521 30 20 DJED Cc1c(C#N)cccc1NC(=O)[C@H](CC(C)C)c1ccccc1 432346599 LHDKZRZNFIJNSX-GOSISDBHSA-N 306.409 4.635 30 20 DJED CCCc1cc(C(=O)N(CCC#N)C(C)(C)CC)sc1C 471163184 SYFFDWJTUQHGKK-UHFFFAOYSA-N 306.475 4.554 30 20 DJED Cc1ccc([C@@H](C)N(C)C(=O)C[C@H](CC#N)c2ccccc2)cc1 474714782 YDOAMBBEYXGZCA-XLIONFOSSA-N 320.436 4.602 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1ccc(C(C)(C)C#N)cc1 475907268 SWMHLVVCCBBRCC-UHFFFAOYSA-N 324.468 4.696 30 20 DJED C=CC[C@H](C(=O)N(C)Cc1cccc(Cl)c1)c1ccccc1 487595399 ZVKCMYMKGGAWPP-SFHVURJKSA-N 313.828 4.658 30 20 DJED C=CCN(CCc1ccco1)Cc1cnc(C2CCCC2)s1 495201967 PNBGHVUHMVKYOF-UHFFFAOYSA-N 316.470 4.624 30 20 DJED CCCN(C(=O)c1cccc(C#N)c1)[C@@H](CC)c1ccccc1 499129679 WRUNXZLYYHSDFX-IBGZPJMESA-N 306.409 4.562 30 20 DJED C=CC[C@@H](C)[C@@H](C)NCC1(c2ccccc2Cl)CCOCC1 537975565 UJXPTZQTLIIFJR-HZPDHXFCSA-N 321.892 4.579 30 20 DJED CC(C)C[C@@H](NCC1(C#N)CC1)c1cccc(C(F)(F)F)c1 538388831 GRJPPNQCHJNGMH-OAHLLOKOSA-N 310.363 4.686 30 20 DJED Cc1cnc([C@H](C)Nc2cccc(Oc3ccc(C#N)cc3)c2)o1 538875542 OBTRNEPJJXLBJZ-AWEZNQCLSA-N 319.364 4.820 30 20 DJED C=CCCOCCCCC(=O)N(C)c1cccc(C(C)C)c1 539398861 MORUXJVOTLNNLS-UHFFFAOYSA-N 303.446 4.536 30 20 DJED CCCOc1cc(C)ccc1CN[C@H](C)c1cccc(C#N)c1 539494257 CGGDHKDWWSQFCG-MRXNPFEDSA-N 308.425 4.506 30 20 DJED C=CCSc1ccccc1C(=O)Nc1cncc2ccccc12 548274192 DIYIGIFTKYLJKQ-UHFFFAOYSA-N 320.417 4.765 30 20 DJED CCCOc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 557518323 ZQOLFQFNNVFLTG-NRFANRHFSA-N 320.436 4.514 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 565561239 MGUXUGCEYYBAPO-YESZJQIVSA-N 304.478 4.524 30 20 DJED CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)CCCCCC#N 588654485 VQFOVJGMZDCXAI-LJQANCHMSA-N 314.473 4.639 30 20 DJED CC[C@@H](c1ccccc1)N(C(=O)c1cccc(CC#N)c1)C(C)C 598886967 ZFDHOJWPXJJXAS-FQEVSTJZSA-N 320.436 4.755 30 20 DJED C=CCCCCCN(C)C(=O)c1c2c(nc3ccccc13)CCC2 606815607 QATPYRXNPQVLOO-UHFFFAOYSA-N 322.452 4.542 30 20 DJED Cc1sc2ncnc(S[C@H](C#N)C3CCCCC3)c2c1C 609648499 BDFOSHKPFGXMAW-CYBMUJFWSA-N 317.483 4.873 30 20 DJED Cc1ccccc1[C@@H](C)c1noc(/C=C/c2ccccc2C#N)n1 612980696 WERWRCAVJDIXGB-AYJWMTRPSA-N 315.376 4.572 30 20 DJED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1csc(Cl)c1 615759217 ABFXNCAKFHOANI-LLVKDONJSA-N 302.830 4.613 30 20 DJED C=CCOc1cccc(CNCc2csc3ccccc23)c1 642626576 BKMMHYFHGSRMSQ-UHFFFAOYSA-N 309.434 4.756 30 20 DJED C[C@H](CC(C)(C)C#N)NCc1ccc(OCc2ccccc2)cc1 695865971 WCFLQTJHVROHRC-QGZVFWFLSA-N 322.452 4.684 30 20 DJED C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)Cc2ccccc21 731478388 FPIAMRUVWXWCKZ-GFCCVEGCSA-N 316.326 4.701 30 20 DJED O=C1/C(=C/c2cc(C(F)(F)F)ccc2F)Cc2cc(F)ccc21 734304949 BTTSFFQMCCGHJG-IZZDOVSWSA-N 324.248 4.806 30 20 DJED Fc1ccc([C@H]2CCCC2=NNc2cnnc3ccccc23)cc1 741164451 LTXJXJUUIRTLCG-OAHLLOKOSA-N 320.371 4.505 30 20 DJED O=C(/C=C/c1ccc2ccccc2c1)c1ccc2c(c1)COC2 742434253 DNHCCMQEHADGOV-UXBLZVDNSA-N 300.357 4.766 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)C(F)=C1CCCC1 763002577 QTSZYYDUMWWMNL-UHFFFAOYSA-N 313.825 4.714 30 20 DJED C=CCOc1ccc(/C=C/C(=O)c2cncc(C)c2)cc1Cl 767367827 QSZQLLANNWKEQD-GQCTYLIASA-N 313.784 4.504 30 20 DJED CC1(C)CCC(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)CC1 768757440 WJNQRCCLFHPFNC-INIZCTEOSA-N 306.409 4.627 30 20 DJED Cc1c(C(=O)/C=C/c2cn(C)nc2C(C)(C)C)oc2ccccc12 769608146 QEKUMHKYLKJZLI-ZHACJKMWSA-N 322.408 4.668 30 20 DJED CCc1noc(C)c1C(C)=NNc1ccc(Cl)c(Cl)c1 769797536 VGMHWLHLOJACQJ-UHFFFAOYSA-N 312.200 4.688 30 20 DJED CC(=NNc1c(Cl)cc(F)cc1Cl)c1ccc(F)cn1 770607862 NCGHERSBZZKWIK-UHFFFAOYSA-N 316.138 4.503 30 20 DJED C=C(Cl)CN[C@H](C)c1sc(-c2ccccc2F)nc1C 773006146 VASFCYWGEWQYFB-SNVBAGLBSA-N 310.825 4.661 30 20 DJED N#CC1(Cc2nc(-c3cccc(C(F)F)c3)no2)CCCCC1 854053933 LPBWSTGWHLHEPB-UHFFFAOYSA-N 317.339 4.691 30 20 DJED CCc1ccc(Cl)c(CC)c1NC(=O)c1csc(C#N)c1 1117876862 XTSACFAQDWHDHB-UHFFFAOYSA-N 318.829 4.650 30 20 DJED CC(C)C[C@@H](Nc1ncc(C#N)cc1F)c1ccc(Cl)cc1 1162659378 MTRXECDIWGCYDC-MRXNPFEDSA-N 317.795 4.945 30 20 DJED Cc1nc(N[C@H](c2ccc(F)c(Cl)c2)C2CC2)ccc1C#N 1163327131 PDEWBABMNDRPBK-KRWDZBQOSA-N 315.779 4.617 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1c(F)cccc1Cl 1166378568 RQAYGBMSRPVJIT-UHFFFAOYSA-N 310.155 4.892 30 20 DJED CCCC[C@H](C)N(CCCC)Cc1ccc(C#N)cc1OC 1170518985 LWTPVPMTKQSTPF-INIZCTEOSA-N 302.462 4.748 30 20 DJED N#Cc1c(F)cccc1N1CCC[C@H]1Cc1ccccc1Cl 1185034521 ATOJCMPCZWEKHT-AWEZNQCLSA-N 314.791 4.562 30 20 DJED Cc1ccnc(N2CCCC[C@H]2CCCc2ccccc2)c1C#N 1185888703 NCBNIFZFEYLNQN-IBGZPJMESA-N 319.452 4.644 30 20 DJED Cc1c(C#N)cccc1NC(=O)N(C)C[C@@H](C)C1CCCCC1 1201839902 PUACPFWDUXHLCS-CQSZACIVSA-N 313.445 4.547 30 20 DJED C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCCC2)C1CCC1 1264695621 OUXIWJXQCYMLJP-LBPRGKRZSA-N 316.470 4.653 30 20 DJED CC[C@H]1CCC[C@@H](Nc2nccc(Oc3cccc(C#N)c3)n2)C1 1306972449 HUBZWKOTOZBHHQ-GOEBONIOSA-N 322.412 4.521 30 20 DJED CCOc1ccc(C#N)cc1N[C@@H]1CC[C@@](C)(c2ccccc2)C1 1308677608 PRXYHWBPHNLOAJ-WIYYLYMNSA-N 320.436 4.879 30 20 DJED CCC(C#N)(CC)C(=O)O[C@@H](C)c1sc(C(C)C)nc1C 1343400894 SIEMVJSGVNNVJE-LBPRGKRZSA-N 308.447 4.509 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)C1C[C@H]2CCC[C@H](C1)C2 1353033452 ADZNMOCZWLXZLC-OALUTQOASA-N 324.468 4.513 30 20 DJED Cc1ccc(C#N)cc1NC(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1 1361270081 PUGTUSYPIZQLAO-JSGCOSHPSA-N 324.346 4.564 30 20 DJED N#Cc1cc(Cl)ccc1SCCc1c(F)cccc1F 1458972239 ZPFWUVSFKPHQJU-UHFFFAOYSA-N 309.768 4.825 30 20 DJED CCc1ccccc1CSc1nc(C(F)(F)F)ccc1C#N 1459031819 IYDAHCLNEAJCHF-UHFFFAOYSA-N 322.355 4.827 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCCSc2ccccc21 1460296795 IVCAQEXARQQXEZ-UHFFFAOYSA-N 322.477 4.990 30 20 DJED CCC(CC)CN(CCC#N)Cc1ccc2nc(C)ccc2c1 1461893382 AAVTVCOCLAIRKY-UHFFFAOYSA-N 309.457 4.695 30 20 DJED COc1ccc(CNC[C@@H]2CCCC[C@@H]2C(C)(C)C)cc1C#N 1473969801 VWMZEIDCVYOTLG-WMZOPIPTSA-N 314.473 4.509 30 20 DJED CC(C)(C)[C@@H]1CCC[C@H](NCc2ccc(C#N)cc2F)CC1 1474115183 ZMHUPKWOHJCSHI-SJORKVTESA-N 302.437 4.782 30 20 DJED Cc1cc(NC(=O)c2cc(C#N)ccc2C)c2ccccc2c1 1526408556 IPVVCBWJBCWPMS-UHFFFAOYSA-N 300.361 4.581 30 20 DJED CC(C)[C@H](CNc1ncc(C#N)cc1F)c1ccc(Cl)cc1 1612357873 UOPLCWBMQPVRAN-HNNXBMFYSA-N 317.795 4.597 30 20 DJED N#Cc1ccc(CS[C@H]2CCOc3ccccc32)c(Cl)c1 1651864665 MEDODSKTSNPDAV-KRWDZBQOSA-N 315.825 4.969 30 20 DJED Cc1cc(C)cc(C2CCN(Cc3cccc(C#N)c3F)CC2)c1 1655813964 ZROWMNBAMQZOTK-UHFFFAOYSA-N 322.427 4.694 30 20 DJED CCC[C@H](C)CCCC(C)=NNc1ccc(CC(=O)O)cc1 1776085615 ZOHPFPDMDSULAP-AWEZNQCLSA-N 304.434 4.708 30 20 DJED N#CCCCOc1cccc(NCc2ccc(Cl)cc2)c1 37777432 HTJDAJZLSYWYTH-UHFFFAOYSA-N 300.789 4.635 30 20 DJED O=C1/C(=C\c2ccc(O)c(Cl)c2)Cc2c(Cl)cccc21 49372123 MOBVDSAMKHVJPW-POHAHGRESA-N 305.160 4.521 30 20 DJED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1cnc2ccsc2c1 90665109 WJCDIJVDPNOMOM-YOEHRIQHSA-N 321.449 4.992 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2cc(Cl)ccc2C)cc1 125663385 NXHLVSDPKAJRSV-UHFFFAOYSA-N 312.800 4.517 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CCCC(C)(C)C2)n1 179409406 VFRBKAKFUSPULB-CHWSQXEVSA-N 304.459 4.659 30 20 DJED C[C@@H](C#N)Oc1ccccc1NCc1ccc2ccccc2c1 182576874 DIONHDJNMBYWSL-HNNXBMFYSA-N 302.377 4.743 30 20 DJED C=CCC1(C(=O)Nc2cccc(Oc3ccccn3)c2)CCC1 188490587 ILQLQCFZFQMNJP-UHFFFAOYSA-N 308.381 4.559 30 20 DJED C[C@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccccc1Cl 192936032 RBCLSWACFCNCQS-KGLIPLIRSA-N 314.816 4.654 30 20 DJED CC(C)c1ccc([C@H](C)NCc2ccc(OCC#N)cc2)cc1 194885103 MKPKWGJDARUMFJ-INIZCTEOSA-N 308.425 4.563 30 20 DJED Clc1cccc(CON=Cc2cccc(Cl)c2Cl)n1 255628183 CQQFEXBHJAFAGM-UHFFFAOYSA-N 315.587 4.593 30 20 DJED Cc1sc(NC(=O)c2ccc(F)c3ccccc23)c(C#N)c1C 322716183 RBDGZOMMZPCNMD-UHFFFAOYSA-N 324.380 4.781 30 20 DJED Cc1nc(C)c(N=C(O)Nc2cc(C(C)C)c(O)cc2C)s1 331293288 QRDAXKMJUYHZIT-UHFFFAOYSA-N 319.430 4.555 30 20 DJED C=CCC[C@H](N[C@H](C)c1ccc(OC)c(O)c1)c1ccccc1 353250715 GGPZSOORWXHPLQ-QAPCUYQASA-N 311.425 4.759 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@H]2NCC1(C(F)(F)F)CCC1 353950516 CJVSXRKCXNSCSH-MRXNPFEDSA-N 322.374 4.648 30 20 DJED COc1ccccc1[C@H]1CCCN1CCCCC(C)(C)C#N 409447349 OTEPLKSYBSNZAF-QGZVFWFLSA-N 300.446 4.552 30 20 DJED Cc1csc(-c2cccc(NCc3cccc(F)c3C#N)c2)n1 427435317 NREZZSCXRCABEV-UHFFFAOYSA-N 323.396 4.741 30 20 DJED CC(F)(F)c1ccc(CNc2c(F)cc(C#N)cc2F)cc1 432130696 SDKHOLKJIQPBOC-UHFFFAOYSA-N 308.278 4.560 30 20 DJED CN(Cc1ccccc1N[C@H]1CC[C@@H](C#N)C1)C1CCCCC1 442869683 JIVMASVIOTVXGL-AEFFLSMTSA-N 311.473 4.555 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1cccc(-c2ccccc2OC)c1 442971587 ZPPIQZGEDAUXOV-HXUWFJFHSA-N 309.409 4.903 30 20 DJED Cc1ccc2oc(-c3noc(-c4ccc(CC#N)cc4)n3)cc2c1 445754107 XGFHMTBZAKWJSF-UHFFFAOYSA-N 315.332 4.524 30 20 DJED Cc1cc2c(S[C@@H](C#N)C3CCCCC3)ncnc2s1 447329719 MVCTVIXWPHXJBQ-ZDUSSCGKSA-N 303.456 4.564 30 20 DJED C=CCCCC[C@H](C)Nc1cccc(CN(CC)C(C)=O)c1 449045472 GMBJWSFZNMTLBZ-INIZCTEOSA-N 302.462 4.602 30 20 DJED C=CCCC1(C(=O)N2CCC(=Cc3ccccc3F)CC2)CC1 476285050 QMNSKQSGTHFDJB-UHFFFAOYSA-N 313.416 4.578 30 20 DJED C[C@@H](C1CCCCC1)N(C)C(=O)C[C@@H](CC#N)c1ccccc1 477089544 NSABNGHXKZDEAF-QFBILLFUSA-N 312.457 4.501 30 20 DJED C=CC1CCN(C(=O)N[C@H](C)c2cc3ccccc3s2)CC1 477471970 PPQDBUTWKQPZHT-CYBMUJFWSA-N 314.454 4.570 30 20 DJED C=CCSc1ccccc1C(=O)Nc1ccc2ccccc2n1 485744474 UXQUKVWDVCVHKE-UHFFFAOYSA-N 320.417 4.765 30 20 DJED CC(C)(C#N)CCCN1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 485860045 BSJGEAPEHXJAMJ-AQNXPRMDSA-N 310.485 4.975 30 20 DJED CCC[C@@H](C)CC(=O)N(Cc1ccco1)c1ccccc1C#N 499377647 MPXKODRYIBWKRY-OAHLLOKOSA-N 310.397 4.511 30 20 DJED CCC[C@H](CC1CCCCC1)C(=O)NCc1ccc(C#N)cc1 499412253 NULUHGCFVRMDBZ-LJQANCHMSA-N 312.457 4.561 30 20 DJED C=C(C)CCN1CCc2sc(-c3csc(C)n3)cc2C1 509030711 JRRJIOMHJUDOSQ-UHFFFAOYSA-N 304.484 4.504 30 20 DJED N#Cc1ccc(F)c(CSCCCCC2CCOCC2)c1 512390293 BXCGDHAVIAWBOG-UHFFFAOYSA-N 307.434 4.527 30 20 DJED C=CCCCCCN(C)[C@H](C)c1nc(-c2cccs2)no1 532570563 AUPKTGHNGTXFON-CYBMUJFWSA-N 305.447 4.537 30 20 DJED C=C(CC)CSCCC(=O)Nc1ccccc1C(F)(F)F 539095077 CAOJCDNGSKQIFH-UHFFFAOYSA-N 317.376 4.733 30 20 DJED C=CC[C@@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1OC(F)F 540170958 NIIZAUCLBFWFTP-ZJUUUORDSA-N 321.314 4.505 30 20 DJED C=CCC(CC=C)c1nc(-c2ccc(OC(F)F)cc2)no1 546933609 PIVOTCAAVOGPRH-UHFFFAOYSA-N 306.312 4.574 30 20 DJED CC(C)(CCC#N)CNC(=O)c1ccc(Oc2ccccc2)cc1 553753961 GNDOZPGZJOSAGE-UHFFFAOYSA-N 322.408 4.539 30 20 DJED N#CCCCN1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 595767685 SAAIXKKPWGWWEW-KRWDZBQOSA-N 316.857 4.653 30 20 DJED Cc1cc(CNc2ccc(F)c(C(F)(F)F)c2)ccc1C#N 600849247 MFEOFLKEBFSJFU-UHFFFAOYSA-N 308.278 4.637 30 20 DJED C=CCCCCCN(C)C(=O)c1csc(-c2cccs2)n1 606814630 OWMNBBOOXFBTRR-UHFFFAOYSA-N 320.483 4.690 30 20 DJED C=CCCCCCN(C)C(=O)CCC(=O)c1cc(C)sc1C 606881579 SXNUCCQUTBTEST-UHFFFAOYSA-N 321.486 4.533 30 20 DJED CCC[C@H](Nc1nc(C(C)(C)C)ccc1C#N)c1ccccn1 613420705 COBWXWRMLLHAHM-INIZCTEOSA-N 308.429 4.599 30 20 DJED COc1cccc2cc(C(=O)/C=C\c3ccc(F)c(C)c3)oc12 729151488 XAMHAAYGFBERJL-CLFYSBASSA-N 310.324 4.785 30 20 DJED C=CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(C)C 730474235 RGRCTYBNNMAAKF-ZIAGYGMSSA-N 312.240 4.520 30 20 DJED COc1cccc(NN=C(C)c2cccc(Cl)c2Cl)c1 734978519 KUBWTRFRVCRSJK-UHFFFAOYSA-N 309.196 4.838 30 20 DJED CCCC[C@@H](CC)CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 735791462 YXTICAJTQGFYSA-HUUCEWRRSA-N 311.429 4.654 30 20 DJED CCCCCCCCC(=O)NC1CCN(C2CCCCC2)CC1 746874880 MRMRNMRSJRRNAO-UHFFFAOYSA-N 322.537 4.650 30 20 DJED C[C@H](CC=NNc1ccc(C(F)(F)F)cn1)c1ccccc1 755487347 AXFUOCRHTVVLTA-GFCCVEGCSA-N 307.319 4.692 30 20 DJED CCSc1ccc(C(=O)/C=C\c2nc(Cl)cs2)cc1 759084777 XKVRYXLZLRLVCA-FPLPWBNLSA-N 309.843 4.805 30 20 DJED C=CC[C@H](N[C@@H](C)c1cccc(OC(F)F)c1)c1ccncc1 766021463 TWRQRUHYNMQBGE-GUYCJALGSA-N 318.367 4.651 30 20 DJED C=CCC[C@@H](NCc1ccc(C(C)(C)O)cc1)c1ccccc1 775570246 XVJAUPPSHHBTHA-HXUWFJFHSA-N 309.453 4.711 30 20 DJED CC(C)(C#N)CCCOC(=O)CCCc1ccc(Cl)cc1 783040663 AVYFGKJRKTVZQL-UHFFFAOYSA-N 307.821 4.536 30 20 DJED C=CCCN(C)C(=S)Nc1ccc(Oc2ccccc2)cc1 786083739 PQOLZDIHMLEDRB-UHFFFAOYSA-N 312.438 4.684 30 20 DJED O=C(/C=C\c1cc(-c2ccccc2)cs1)c1ccnc(F)c1 794719704 CKVMCLVAPBVRTJ-SREVYHEPSA-N 309.365 4.845 30 20 DJED CCC(=NNc1ncccc1F)c1ccc(Cl)cc1Cl 794984823 NZTNIDBSLVYIKK-UHFFFAOYSA-N 312.175 4.754 30 20 DJED N#CCCCCCC(=O)OCc1ccc(-c2cccs2)cc1 805697704 DZZBLQJXELYFHL-UHFFFAOYSA-N 313.422 4.932 30 20 DJED CC(C)(C)[C@@H](C#N)NC(=O)c1c2ccccc2cc2ccccc12 813284376 YLJQFWNGJBQDCZ-GOSISDBHSA-N 316.404 4.661 30 20 DJED CCCOc1ccc(CNc2ccccc2O[C@H](C)C#N)c(C)c1 850240938 MFZDSBSCGZAJND-MRXNPFEDSA-N 324.424 4.687 30 20 DJED N#Cc1cccc(C(=O)/C=C\c2ccc(-c3ccccc3F)o2)c1 915992303 WFTJYMOYAYLIOJ-NTMALXAHSA-N 317.319 4.853 30 20 DJED CCOc1ccc(/C=C2\CCCc3ccccc3C2=O)cc1OC 916134137 DSCLOVIGQRNFJN-GHRIWEEISA-N 322.404 4.697 30 20 DJED Clc1cccc(NN=Cc2csc(-c3ccsc3)n2)c1 920361073 FOPQNSNMEJLAND-UHFFFAOYSA-N 319.842 4.971 30 20 DJED CC(C)C[C@H](C)CC(=O)Nc1scc(C(C)(C)C)c1C#N 1129361747 UZKTUCIWTHSHTB-LBPRGKRZSA-N 306.475 4.928 30 20 DJED N#Cc1nc(Nc2cccc(OC3CCCC3)c2)sc1Cl 1184784175 ASWAEQZMZWEUOR-UHFFFAOYSA-N 319.817 4.733 30 20 DJED Cc1ccc([C@H]2CCC[C@@H]2N(C)Cc2cccc(C#N)c2F)cc1 1191216377 ZMZNSBRTXIXUKM-UXHICEINSA-N 322.427 4.774 30 20 DJED CC[C@@H]1C[C@@H](Nc2ccc(Oc3ccccc3)c(C#N)c2)CCO1 1205493517 YGPKFHSJSXISED-ZWKOTPCHSA-N 322.408 4.720 30 20 DJED N#Cc1ccc(F)c(NC(=O)Nc2ccc(C3CCC3)cc2)c1 1206062477 XZORVLXHIKJNRF-UHFFFAOYSA-N 309.344 4.609 30 20 DJED CC[C@H]1CCC[C@@H]1CNc1ccc(C#N)c(Br)c1 1307123868 VVAXVESQVNTPDT-WCQYABFASA-N 307.235 4.559 30 20 DJED CCC[C@@H](C(=O)Nc1ccc(C#N)cc1)c1cccc(Cl)c1 1350459393 FJSCXECPRXSKHP-QGZVFWFLSA-N 312.800 4.734 30 20 DJED Cc1c(C#N)cccc1NC(=O)[C@H](C)c1cccc(CC(C)C)c1 1435496722 NHWVCKFWGSHUPP-MRXNPFEDSA-N 320.436 4.807 30 20 DJED CCC(C)(C)C(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@H](C)CC2 1436545294 CGUODVLAOXLWQX-MNOVXSKESA-N 304.459 4.680 30 20 DJED Cc1nc(NCc2cc3ccccc3s2)c(Cl)cc1C#N 1458391905 LOOZSVRLVVIWNF-UHFFFAOYSA-N 313.813 4.742 30 20 DJED C[C@H]1C[C@H](C(=O)Nc2cc(C(C)(C)C)sc2C#N)CC[C@H]1C 1458455794 REQGCZCRCUJNLS-FRRDWIJNSA-N 318.486 4.928 30 20 DJED CC(C)CC[C@H]1CCCCN1C(=O)c1ccc(C#N)c(Cl)c1 1518961013 VXIMQTNWJJOZIK-MRXNPFEDSA-N 318.848 4.643 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)[C@H]3CC[C@@H](C)C3)c2C#N)[C@H](C)C1 1527032048 GTXHSZSQCRMSFS-XQHKEYJVSA-N 316.470 4.680 30 20 DJED COc1ccc(C)cc1CS[C@H](C#N)CCc1ccccc1 1641006231 WFGOYEJIYKYGJM-SFHVURJKSA-N 311.450 4.762 30 20 DJED CC(C)C[C@@H]1CCCN(c2ccc(C#N)c(Br)c2)C1 1650862444 KUQJHTATQVOSLO-ZDUSSCGKSA-N 321.262 4.583 30 20 DJED Cc1ccc([C@H]2CCC[C@H]2N(C)CCc2ccc(C#N)cc2)cc1 1652576051 YSIIHDHQCLCTMZ-FGZHOGPDSA-N 318.464 4.677 30 20 DJED CCC(CC)[C@H](NCc1ccc(C#N)c(OC)c1)c1ccccc1 1656155281 MOLYKPNOIBJXRY-NRFANRHFSA-N 322.452 4.834 30 20 DJED C=C(Br)CN1CCCCC[C@H]1c1cccc(C)c1 1657374030 RUCGXBKRMNLJSK-INIZCTEOSA-N 308.263 4.821 30 20 DJED CC(C)(C)[C@@H]1CCCC(=NNc2ccc(C(=O)O)c(F)c2)CC1 1776074582 IUIYAVAXDXJJCM-GFCCVEGCSA-N 320.408 4.918 30 20 DJED C[C@@H](Nc1ccc(C#N)cc1)c1ccc(Br)s1 38001778 VTOTXOXSMFOHNN-SECBINFHSA-N 307.216 4.555 30 20 DJED C=CCn1c(S[C@H](C)CC)nnc1-c1ccc(Cl)cc1 39754539 IFUYNTKKBHUEDK-LLVKDONJSA-N 307.850 4.675 30 20 DJED CCCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC 62167864 LEQLFCXCCCSAOW-YRNVUSSQSA-N 310.393 4.689 30 20 DJED C=CCn1c(C)nnc1S[C@@H](C)c1cccc2ccccc12 66408914 FQTFTBIXPARVAN-ZDUSSCGKSA-N 309.438 4.779 30 20 DJED CCCc1ccc(C(=O)/C=C/c2ccc(O[C@@H](C)C#N)cc2)cc1 110969675 QBXGYJMTCZZVQW-IDJPSDCMSA-N 319.404 4.826 30 20 DJED N#Cc1csc(CN[C@H](Cc2ccccc2)c2ccccc2)c1 177681275 RYGPBHADJFIYNG-HXUWFJFHSA-N 318.445 4.693 30 20 DJED CC[C@H](NCc1ccc(F)cc1C#N)c1cccc(Cl)c1 182600794 PYQFQQCWSZQOPR-KRWDZBQOSA-N 302.780 4.592 30 20 DJED CC(C)c1nccn1Cc1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1 185727681 UIYCYZVCYARHMU-AEFFLSMTSA-N 322.456 4.549 30 20 DJED N#CCCCOc1cccc(NCc2cc(F)ccc2Cl)c1 187264249 QCDCHDSEHOTNGS-UHFFFAOYSA-N 318.779 4.774 30 20 DJED CSc1ccc(C(=O)/C=C\c2c(C)noc2C)c(Cl)c1 255086127 LLJZULRUCWVKGN-SREVYHEPSA-N 307.802 4.563 30 20 DJED OC(=Nc1ncc(-c2ccccc2)cn1)[C@H]1CCCC(F)(F)C1 328856356 XXBXBXBTRJZVSW-ZDUSSCGKSA-N 317.339 4.557 30 20 DJED CC1(C/N=C(/O)c2ccc3c(c2)N=C(O)C3(C)C)CCCCC1 328917179 KNZIYDANOWWJPA-UHFFFAOYSA-N 314.429 4.841 30 20 DJED CC(O)=Nc1ccc(F)c(/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 329615209 FGUNPJNTSLMCIX-BFHYXJOUSA-N 318.392 4.707 30 20 DJED CS[C@@H](C)CCC(=O)Nc1ccccc1S[C@H](C)CC#N 358412764 ZRFXJYRFOPCLMO-QWHCGFSZSA-N 322.499 4.551 30 20 DJED N#C[C@H]1CC[C@@H](N[C@H]2CC=C(c3ccc(Cl)cc3)CC2)C1 425349608 GLNSMVHAEIVEOY-DOPJRALCSA-N 300.833 4.558 30 20 DJED C=CCCC(=O)N1CCc2ccccc2[C@H](c2ccccc2)[C@@H]1C 435364941 GKNXKGPUTBQCBV-JTSKRJEESA-N 319.448 4.558 30 20 DJED Cc1cccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c1 436450778 OKAZWRUWPILWKR-UHFFFAOYSA-N 317.392 4.506 30 20 DJED C[C@H](Nc1ccc(Oc2ccccn2)cc1)c1cccc(C#N)c1 442791579 JULJPRBHWQGKFC-HNNXBMFYSA-N 315.376 4.919 30 20 DJED Cc1ccc(Oc2ccc(C(F)(F)F)c(C#N)n2)c(Cl)c1 443519147 NRDRJTHUYRIZCS-UHFFFAOYSA-N 312.678 4.726 30 20 DJED CCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H]1CCCC[C@@H]1C 475604996 SYHZCVRLXBOTRB-WDSOQIARSA-N 312.457 4.501 30 20 DJED CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H]1CCCC[C@@H]1C 475607242 YDPVZBMMJVSKGS-YJBOKZPZSA-N 312.457 4.529 30 20 DJED C=CCCC1(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)CC1 476791093 SCLKACMBUKDQPI-UHFFFAOYSA-N 317.860 4.792 30 20 DJED C[C@H](SCc1ccc(F)cc1C#N)c1c(F)cccc1F 483128558 GRPYTHHZRBHURW-JTQLQIEISA-N 307.340 4.970 30 20 DJED CC(C)c1occc1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 483982734 NNYHPDBPYOYGNL-KRWDZBQOSA-N 324.424 4.695 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CCC[C@@H](C)C1 498445728 LINMPCWETRCCKF-VQIMIIECSA-N 312.457 4.513 30 20 DJED C[C@H](SCc1ccc(C(F)(F)F)cn1)c1ccc(C#N)cc1 520261304 ZIGYQWLTAADQCF-NSHDSACASA-N 322.355 4.966 30 20 DJED C=C(C)CN(CC)C(=O)NCc1ccc(Oc2ccccc2)cc1 522460973 CHQDPFXVRXEGCQ-UHFFFAOYSA-N 324.424 4.587 30 20 DJED C=CCCC(=O)N1c2ccc(OCC)cc2[C@H](C)CC1(C)C 523228516 INGZBJASUSUDRD-CQSZACIVSA-N 301.430 4.670 30 20 DJED Cc1ccccc1C1CC(N(Cc2cccc(C#N)c2)C2CC2)C1 525638158 VFIMAQIGHUOEKU-UHFFFAOYSA-N 316.448 4.777 30 20 DJED N#Cc1ccccc1CN[C@@H](c1ccc(F)cc1)C1CCCC1 539311141 DZCBFMAXGYEXOT-HXUWFJFHSA-N 308.400 4.718 30 20 DJED C=CCC[C@H](NCc1cccn1C)c1ccc(C(F)(F)F)cc1 539524885 UBZWMFIAKGFFEU-KRWDZBQOSA-N 322.374 4.841 30 20 DJED C[C@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1ccc(C#N)c(F)c1 544896406 DFQUDKNJAYXEKU-GJZGRUSLSA-N 322.427 4.988 30 20 DJED CSCC[C@@H](C)N(C)Cc1ccc(-c2ccccc2C#N)cc1 583151232 PUQVYUVWGIBJEJ-MRXNPFEDSA-N 324.493 4.799 30 20 DJED N#CCCCCCC(=O)N1Cc2ccccc2-c2ccccc21 588883993 UKGGCXYPKYXLCQ-UHFFFAOYSA-N 304.393 4.674 30 20 DJED COc1ccc(C(C)(C)C)cc1N[C@H](C#N)Cc1ccccc1 604553137 PBRCJKPDWRCAFX-KRWDZBQOSA-N 308.425 4.539 30 20 DJED C[C@H](Nc1cccc(C#N)n1)c1cc(F)c(Cl)cc1Cl 609893598 YXVQMTYUXIKVAD-QMMMGPOBSA-N 310.159 4.572 30 20 DJED C=CCN(CC=C)C(=O)N[C@H](CCCCC)c1ccccc1 728137145 RGIVPBGAXIJHPD-GOSISDBHSA-N 300.446 4.692 30 20 DJED COCC(CC(C)C)=NNc1nc(Cl)c(Cl)cc1Cl 730726725 CTNNDHVBQNQFGE-UHFFFAOYSA-N 324.639 4.502 30 20 DJED N#Cc1ccccc1/C=C\C(=O)N1CCCC2(CCCCCC2)C1 742851598 ULYVIDDDBXLBPH-KHPPLWFESA-N 322.452 4.534 30 20 DJED CCc1nc(C)c(C(C)=NNc2c(C)cc(C)cc2C)s1 743445211 JQSWGPMQFMKJIN-UHFFFAOYSA-N 301.459 4.775 30 20 DJED FC(F)(F)c1ccccc1NN=C[C@H]1CCOc2ccccc21 752158118 VHAYJIKWKMHYPC-GFCCVEGCSA-N 320.314 4.669 30 20 DJED C=CCN(CC=C)Cc1cc2ccc(SC)cc2nc1Cl 754013396 DDNZRFLPHRQQGN-UHFFFAOYSA-N 318.873 4.784 30 20 DJED C=C[C@@H](CC(=O)NC(C)(C)c1ccc(F)cc1)c1ccccc1 758989837 NCTAQNNRWBQRKI-HNNXBMFYSA-N 311.400 4.537 30 20 DJED CCCCCC[C@@H](C)CC(=O)Nc1ccc(F)cc1OCC#N 760784512 SNGGHHLZLBSNFN-CQSZACIVSA-N 320.408 4.663 30 20 DJED N#Cc1cccc(C(=O)/C=C\c2cc(F)cc(C(F)(F)F)c2)c1 772809292 XZKUADXSAJPKOQ-PLNGDYQASA-N 319.257 4.612 30 20 DJED CCOc1ccccc1/C=C/C(=O)c1ccc(C#N)cc1Cl 788359747 DJDTYJTYKZDFCN-CSKARUKUSA-N 311.768 4.506 30 20 DJED COc1ccc(C(C)=NNc2ccccc2Cl)c(C)c1OC 794862966 XBBCJRZGEZSLLC-UHFFFAOYSA-N 318.804 4.502 30 20 DJED C#CC[C@H](N[C@H]1CCCc2c1[nH]c1ccccc21)c1ccccc1 808708553 MXMVTBIIFLNUDU-FPOVZHCZSA-N 314.432 4.900 30 20 DJED CC(=NOCc1cccc2cccnc12)c1cc2ccccc2o1 809816894 TWZCNFPKKZZDRM-UHFFFAOYSA-N 316.360 4.922 30 20 DJED COc1ccc(/C=C\C(=O)c2cccc(C#N)c2)c2ccccc12 915991976 OQIABEADGVLORY-LUAWRHEFSA-N 313.356 4.616 30 20 DJED CC(C)CC(=NNc1cccc([N+](=O)[O-])c1)c1cccs1 917531294 HNPROUUCARZEDK-UHFFFAOYSA-N 303.387 4.519 30 20 DJED O=C(/C=C\c1cccs1)c1ccc(OCC(F)(F)F)cc1 920481089 VYBKSIQLEAAWFF-FPLPWBNLSA-N 312.312 4.585 30 20 DJED N#CC1(CCCCSCc2cnc3ccccc3n2)CCC1 1120356411 HTMLWFRZLAPEEN-UHFFFAOYSA-N 311.454 4.727 30 20 DJED CC(C)C[C@@H]1CCCCCN1C(=O)c1ccc(C#N)c(Cl)c1 1126348059 NEOVANQABUNIKD-INIZCTEOSA-N 318.848 4.643 30 20 DJED Cc1c([C@@H](C)OC(=O)c2csc(C#N)c2)oc2ccccc12 1127966328 XPPACYLWPSJRFI-LLVKDONJSA-N 311.362 4.592 30 20 DJED C[C@H](C#N)OCCN(C1CC1)[C@H]1CCCC[C@H]1C1CCCCC1 1167549644 PDPYCWGAZHZHNQ-UXPWSPDFSA-N 318.505 4.519 30 20 DJED N#Cc1cc(CN2CCC(=Cc3ccccc3F)CC2)ccc1F 1192224438 KHYQMKNDIHNGOT-UHFFFAOYSA-N 324.374 4.516 30 20 DJED COc1ccc(C)cc1CSCc1cn2ccccc2c1C#N 1307319272 IEJFLINWEOBMFW-UHFFFAOYSA-N 322.433 4.561 30 20 DJED CCN(Cc1ccc(Cl)cc1C#N)c1ccc(Cl)cc1 1308104987 ZNVBTNYDCHMIGB-UHFFFAOYSA-N 305.208 4.892 30 20 DJED CC(CCc1ccc(C)cc1)=NNc1ccc(C(C)(C)C)nn1 1318927836 CMJNVQQZQOYRCE-UHFFFAOYSA-N 310.445 4.503 30 20 DJED Cc1cccc(C)c1[C@@H](C)OC(=O)C[C@H](CC#N)c1ccccc1 1458064745 WEGVGEZBRZVIHZ-MJGOQNOKSA-N 321.420 4.995 30 20 DJED Cc1cc(CN2CCS[C@H](C)[C@H]2c2ccccc2)ccc1C#N 1461872463 MMJOUHASMPORDC-UZLBHIALSA-N 322.477 4.545 30 20 DJED Cc1ccc(C#N)cc1NC(=O)CCc1cccc2ccccc12 1531960125 YZRRNMCZVLOYFM-UHFFFAOYSA-N 314.388 4.591 30 20 DJED N#Cc1ccc(NC(=O)CCCC2CCCCC2)c(Cl)c1 1533457522 KBYVHEOMILSVSA-UHFFFAOYSA-N 304.821 4.901 30 20 DJED Cc1ccc(N(CC(C)C)C(=O)c2cccc(C#N)c2C)c(C)c1 1585516012 NKEUKNULZMFIHN-UHFFFAOYSA-N 320.436 4.786 30 20 DJED CCCCN(Cc1ccccc1F)c1cccc(F)c1C#N 1611921332 YDDCCPCTQPVQHS-UHFFFAOYSA-N 300.352 4.643 30 20 DJED C[C@@H]1C[C@@H](CCNc2nc(C#N)c(Cl)s2)CC(C)(C)C1 1612324575 BSHVAUYQABDNOM-GHMZBOCLSA-N 311.882 4.933 30 20 DJED Cc1ccc(CC2CCN([C@H](C#N)c3ccccc3)CC2)cc1 1616539513 SPZBHVTZRXRDRU-OAQYLSRUSA-N 304.437 4.514 30 20 DJED C=C(CNC(=O)N1CCC[C@@H]1c1ccc(C)cc1)c1ccccc1 1635923188 BHJJRLIKSMZQDX-HXUWFJFHSA-N 320.436 4.555 30 20 DJED C=C(Cl)CN[C@@H](Cc1ccccc1Cl)c1ccccc1 1642553167 OJQIBRGKOBGBFN-KRWDZBQOSA-N 306.236 4.966 30 20 DJED N#Cc1cccc(Br)c1N[C@H]1C[C@H]1C1CCCCC1 1651577539 PXQXEUCMLBKEMC-ZFWWWQNUSA-N 319.246 4.701 30 20 DJED CC(C)(C)CN(CCC#N)Cc1csc(C(F)(F)F)c1 1651834481 RYYNMVZUVYOHPB-UHFFFAOYSA-N 304.381 4.529 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C[C@@H](C)c1ccc(OC)cc1 1656980769 BSVFXFWFQFTECU-QGZVFWFLSA-N 322.452 4.583 30 20 DJED N#CC1(CCN[C@H](c2ccccc2)C(F)(F)F)CCCCC1 1657654323 XTIGIJRZBBOSTA-OAHLLOKOSA-N 310.363 4.744 30 20 DJED Cc1cc(CN2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)ccc1C#N 1658196901 HBABSSHFXWALPY-LZJOCLMNSA-N 304.437 4.633 30 20 DJED N#Cc1ccsc1C(=O)Nc1ccccc1-c1ccccc1 52028024 QKRRUINCSYJBRL-UHFFFAOYSA-N 304.374 4.539 30 20 DJED CC(C)Sc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1 103345376 MLSARUIGHDYIPV-OAHLLOKOSA-N 310.466 4.910 30 20 DJED Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc(C#N)cc2)o1 121586716 KOBXMIXSUPAMGT-KRWDZBQOSA-N 323.396 4.609 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2ccccc2C(F)(F)F)s1 134492964 OFWNIQQEFKZNDQ-FNORWQNLSA-N 307.296 4.535 30 20 DJED O=C(/C=C/c1cnc(C2CCC2)s1)c1ccc(F)cc1F 157223640 LYXDSDAMSZSVBP-FNORWQNLSA-N 305.349 4.585 30 20 DJED CC(C)Sc1ccc([C@@H](C)NCc2ccc(C#N)s2)cc1 176962487 KKNHXCCOSKAZPR-CYBMUJFWSA-N 316.495 4.971 30 20 DJED C[C@H](N[C@H]1CCSc2c(F)cccc21)c1ccc(C#N)cc1 192988839 LVLBGLZCYIDHEX-SJCJKPOMSA-N 312.413 4.585 30 20 DJED CC[C@H](NCC(C)(C)CCC#N)c1ccc(Br)cc1 229679304 GYQVDARWYGCOLO-HNNXBMFYSA-N 323.278 4.820 30 20 DJED Cc1ccc(-c2ccc(Cl)cc2NC(=O)CC(C)(C)C#N)o1 281185552 LSIIUXBCNCGZJW-UHFFFAOYSA-N 316.788 4.787 30 20 DJED N#CCOc1ccc(NCc2ccc(-c3ccccc3)s2)cc1 319993464 YPYHFDOKDWXUEX-UHFFFAOYSA-N 320.417 4.930 30 20 DJED CC1(C)CCCC[C@@H]1C(O)=Nc1cccc([C@@H]2CN=C(O)C2)c1 329886119 VQZDWUOLWFWMJC-GOEBONIOSA-N 314.429 4.935 30 20 DJED CCC[C@@H](/N=C(/O)c1cc(O)nc(C2CC2)c1)C1CCCCC1 329940703 BVEARQKZEZLCLY-MRXNPFEDSA-N 316.445 4.718 30 20 DJED CC[C@H]1OCCC[C@@H]1C(O)=Nc1cc(-c2cccnc2)ccc1C 330059595 LEZUTYLMBBCYBA-PKOBYXMFSA-N 324.424 4.850 30 20 DJED CCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CC(C)(C)C1 416760818 NYTPLCRAPBZAOQ-UHFFFAOYSA-N 313.445 4.530 30 20 DJED C[C@@H](CCC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)c1ccccc1 425127723 JDPRJANDAALXJA-IRXDYDNUSA-N 320.436 4.662 30 20 DJED C=CCC1(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CCCCC1 425634176 GGYFVRBPRPMIFF-MRXNPFEDSA-N 310.441 4.604 30 20 DJED CCCOc1ccc2c(c1)CCN(CCCCC(C)(C)C#N)C2 444683705 ZCQMBYAOLZATJT-UHFFFAOYSA-N 314.473 4.554 30 20 DJED C=CC[C@@H]1N(Cc2csc([C@H](C)OCC)n2)CCCC1(C)C 444776460 CCOWHTFNBXWFNF-HOCLYGCPSA-N 322.518 4.807 30 20 DJED C=CCN(CC=C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H](C)CC 466071626 WMCIHAQAQUTXCH-WMLDXEAASA-N 320.864 4.811 30 20 DJED Cc1c(C#N)c(-c2ccc3ncccc3c2)nc2cc(F)ccc12 479165935 OTVXXZOIEVGWBK-UHFFFAOYSA-N 313.335 4.769 30 20 DJED C[C@H](Nc1cnn(-c2ccc(Cl)cc2)c1)c1cccc(C#N)c1 480713065 UMJCHGWDXBUPGP-ZDUSSCGKSA-N 322.799 4.570 30 20 DJED C=CC1CCN(C(=O)N[C@@H](CC(C)C)c2ccccc2C)CC1 491131624 HRCKOQPVTMTZQY-IBGZPJMESA-N 314.473 4.690 30 20 DJED C=CCN(CCc1ccco1)Cc1ncc(-c2ccccc2)s1 491340947 BBRMRBOMJZFCJL-UHFFFAOYSA-N 324.449 4.634 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1ccc2ncccc2c1 508618139 IZXKXMHQNAOHJB-UHFFFAOYSA-N 315.420 4.519 30 20 DJED C=CCN(C(=O)C[C@@H](CC)C(C)C)c1nc2c(s1)CCCC2 517921392 KODDCZWUYGIJKC-CQSZACIVSA-N 320.502 4.613 30 20 DJED C=C[C@@H](CC(=O)Nc1ccccc1OCC1CC1)c1ccccc1 535387366 OPFOQNZBPWFJCO-KRWDZBQOSA-N 321.420 4.774 30 20 DJED C[C@@H](NCc1ccc(C(F)(F)F)cc1)c1ccc(C#N)c(F)c1 537400630 FFSODPDMRBVHDE-LLVKDONJSA-N 322.305 4.567 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cc2ccccc2o1 568156259 OPQWZXCBNOQVRP-HXUWFJFHSA-N 316.404 4.862 30 20 DJED C=C(C)CN(CC)C(=O)Nc1cccc(OCCC(C)C)c1 591503061 BQGUZCNPMDDCIO-UHFFFAOYSA-N 304.434 4.541 30 20 DJED CC[C@H](CC#N)N[C@@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 597085668 GUIPCWZQJFLRCM-CMPLNLGQSA-N 318.770 4.572 30 20 DJED CC(C)c1cccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)c1 597797282 WOBCXCONARRJMY-OAHLLOKOSA-N 306.409 4.515 30 20 DJED C[C@@H](CC(=O)Nc1cccc(OCCCC#N)c1)CC(C)(C)C 603972320 MOZYBRZSTXECHH-HNNXBMFYSA-N 316.445 4.770 30 20 DJED C=C(C)CN(CC)C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 607779812 WHMUJLDCMFWBBL-CABCVRRESA-N 312.240 4.522 30 20 DJED N#Cc1ccc(N[C@@H]2CCc3ccc(F)cc32)c(C(F)(F)F)c1 609963632 JIMUKZLPAIGQCI-OAHLLOKOSA-N 320.289 4.816 30 20 DJED CSc1cc(C)ccc1CN[C@H]1CCCc2cc(C#N)ccc21 611393387 FANHCHZASLQQNJ-IBGZPJMESA-N 322.477 4.756 30 20 DJED C[C@]1(C#N)CCCN(Cc2ccc(-c3ccccc3Cl)o2)C1 612406336 KGZYFMIUTPCPRR-GOSISDBHSA-N 314.816 4.726 30 20 DJED CCCCCCCCCN(C)C(=O)c1cc2c(s1)CCOC2 728468413 INTHRLYUBYHGCX-UHFFFAOYSA-N 323.502 4.643 30 20 DJED Cc1cccc(C(=O)/C=C\c2cccc(OC(F)F)c2)c1C 734305308 PWGSTLOWEQIYPV-KTKRTIGZSA-N 302.320 4.801 30 20 DJED CC(C)CO[C@@H]1CC(=NNc2nccc3sccc23)C1(C)C 737430014 IIMSFFDKRTXOEA-OAHLLOKOSA-N 317.458 4.535 30 20 DJED CC(C)n1cc(C(=O)/C=C/c2ccc(-c3ccccc3)o2)cn1 746687405 ZRHIEJAEQSAINR-CSKARUKUSA-N 306.365 4.620 30 20 DJED Cc1c([C@H](C)OC(=O)c2ccc(C#N)cc2)oc2ccccc12 747034163 WDHQUNMDOLBWEJ-ZDUSSCGKSA-N 305.333 4.531 30 20 DJED CCCOc1c(/C=C/C(=O)c2ccsc2)cccc1OCC 749101723 IURPWNAMUXXVOZ-CMDGGOBGSA-N 316.422 4.832 30 20 DJED C[C@@H](CC=NNc1ccc(Cl)c(C(=O)O)c1)c1ccccc1 755467048 MGWQTMHLDFBBKR-LBPRGKRZSA-N 316.788 4.630 30 20 DJED Clc1ccc(NN=C2CCC[C@@H]2c2ccccc2Cl)nn1 758065901 AKTLLIPTSYEJPW-LLVKDONJSA-N 321.211 4.519 30 20 DJED CCCCCCCC[C@@H](C)CC(=O)N1CCC(C)(OC)CC1 775193053 RQMUKKWZUHYKBJ-QGZVFWFLSA-N 311.510 4.791 30 20 DJED C=CCN(CCc1ccco1)C(=O)Nc1ccc2ccccc2c1 778997819 CJWRKLOPBLEKCI-UHFFFAOYSA-N 320.392 4.695 30 20 DJED Cc1c(C#N)cccc1NCc1ccc(CSC(F)F)o1 779599604 VZYIMTVQSMEGMY-UHFFFAOYSA-N 308.353 4.528 30 20 DJED O=C(/C=C\c1cc(Cl)cc(C(F)(F)F)c1)c1cccnc1 780176752 RSSAKCZXPIZVAP-ARJAWSKDSA-N 311.690 4.650 30 20 DJED Cc1cc(/C=C2/CCOc3ccccc3C2=O)cc2cccnc12 783708640 ZOAAEPUAKGJSQY-LGMDPLHJSA-N 315.372 4.592 30 20 DJED C=CC[C@H](NCc1ccc(C(F)(F)F)cc1C)c1ccncc1 785538390 HFEHYAVJJFFBPO-KRWDZBQOSA-N 320.358 4.816 30 20 DJED Cc1c(C(=O)/C=C/C=C/c2ccc(F)cc2F)cnn1C(C)C 787187614 SKSMNJYJMCLFEO-YDFGWWAZSA-N 316.351 4.503 30 20 DJED C=CCCCCC[C@H](C)N[C@@H](CC)c1nnc2n1CCCCC2 793529930 YQFGNXZFMUXWPL-IRXDYDNUSA-N 318.509 4.570 30 20 DJED CC(C)n1nccc1/C=C\C(=O)c1ccc2c3c(cccc13)CC2 794940306 XHQRYLCSYMAGLV-LUAWRHEFSA-N 316.404 4.612 30 20 DJED CC[C@H](OC(=O)CCCCCC#N)c1ccc(Cl)cc1F 805905148 DKWUKTIQDXTSGC-HNNXBMFYSA-N 311.784 4.947 30 20 DJED CCCCCCC[C@H](C)CN[C@H]1CCO[C@H](C(F)(F)F)C1 806130883 DQOBDVPVYVHPOG-KKUMJFAQSA-N 309.416 4.683 30 20 DJED CCCCCCCCCN(C)C(=O)Nc1c(C)ccnc1C 806536080 GYIZZUTZYNYPMX-UHFFFAOYSA-N 305.466 4.913 30 20 DJED CC1(C)C(=NNc2nccnc2C2CCC2)C[C@@H]1c1ccccc1 807992403 DDKRHZAOIVYYFP-MRXNPFEDSA-N 320.440 4.726 30 20 DJED COc1ccc(/C=C/C(=O)c2c(F)cccc2Cl)cc1C 809159047 GTPOACNVSLXFLT-SOFGYWHQSA-N 304.748 4.692 30 20 DJED C=CCC1(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)CCCC1 835199875 BKMGCFFFRTVLMR-CYBMUJFWSA-N 302.443 4.579 30 20 DJED C=CC(C)(C)CC(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C 878817125 AJLCCJRLMVTFEX-UHFFFAOYSA-N 316.445 4.520 30 20 DJED CC[C@@H]1c2ccccc2CN1C(=O)C[C@@H](CC#N)c1ccccc1 890613545 FPCNJCKRLVQJMS-YLJYHZDGSA-N 318.420 4.567 30 20 DJED CCCCCc1ccc(NC(=O)NCc2ccc(C#N)cc2)cc1 916411350 YDDSIYYAKAXRCN-UHFFFAOYSA-N 321.424 4.613 30 20 DJED CCC(=NNc1nc(-c2ccccc2)cs1)c1ccc(O)cc1 916545238 CVMNKBKMRJHAJM-UHFFFAOYSA-N 323.421 4.742 30 20 DJED O=C(/C=C\c1ccc(-c2ccccc2F)o1)c1cccc(O)c1 917041419 YFOVUJLGJZJYSF-NTMALXAHSA-N 308.308 4.687 30 20 DJED Cc1ccc(C(=O)/C=C\c2cn3cc(Cl)ccc3n2)c(C)c1 920755076 JZNGCEPGTSDFDJ-ALCCZGGFSA-N 310.784 4.501 30 20 DJED N#Cc1ccc(CN[C@@H]2CCC[C@@H](c3ccccc3)C2)cc1F 1172541170 UUZVLMYEJTWRBL-IEBWSBKVSA-N 308.400 4.513 30 20 DJED CC(C)C[C@H]1CCC[C@@H](NCc2ccc(C#N)c(Cl)c2)C1 1178561155 BTPSWUUNYJMNCH-RHSMWYFYSA-N 304.865 4.906 30 20 DJED Cc1cccc(CN(Cc2ccc(C#N)cc2)CC(C)C)c1F 1180154972 ZRMWVIAQFATZOW-UHFFFAOYSA-N 310.416 4.664 30 20 DJED CC[C@H](NCCC1(C#N)CCCCC1)c1ccccc1OC 1197143726 ACPPFPCBTVDCPB-KRWDZBQOSA-N 300.446 4.600 30 20 DJED Cc1ccc(C#N)cc1C(=O)N[C@H](c1cccc(F)c1)C(C)(C)C 1264813414 VDLSCYZZXNBQDX-GOSISDBHSA-N 324.399 4.523 30 20 DJED Cc1ccc(C#N)c(Nc2ccc(COc3ccccc3)cc2)n1 1307081999 SHQVUDDYGXEILV-UHFFFAOYSA-N 315.376 4.584 30 20 DJED Cc1ccc(C)c(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 1307487939 UQWZBWGTEKTDAE-NHCUHLMSSA-N 304.437 4.575 30 20 DJED CC(C)(C)CN(CCC#N)Cc1cc(F)cc(C(F)(F)F)c1 1308589132 JHLLLJDQGNSRBJ-UHFFFAOYSA-N 316.342 4.606 30 20 DJED C[C@@H](CC1(C#N)CCOCC1)NCC1CC(C)(C)CC(C)(C)C1 1308855948 TZAXTTWKTWVDDX-INIZCTEOSA-N 320.521 4.527 30 20 DJED CCN(C(=O)[C@@H]1C[C@H]1CC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 1355439247 MSKJMVSMCLGLII-JCGIZDLHSA-N 312.457 4.540 30 20 DJED CCC(C)(C)C(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@@H](C)CC2 1436545295 CGUODVLAOXLWQX-QWRGUYRKSA-N 304.459 4.680 30 20 DJED Cc1cccc2oc(C(=O)O[C@@H](C)c3ccc(C#N)cc3)cc12 1457190013 HAMNOSUOQSNBJU-ZDUSSCGKSA-N 305.333 4.531 30 20 DJED COc1cc(Cl)ccc1COc1c(C)cc(Cl)cc1C#N 1459140596 PPJCYKMFWQIANV-UHFFFAOYSA-N 322.191 4.761 30 20 DJED Cc1nc(NCC(C)(C)C#N)c2cc(-c3ccccc3)sc2n1 1472753722 LJXMGYRCGWLFDP-UHFFFAOYSA-N 322.437 4.628 30 20 DJED Cc1ccccc1C1CCN(Cc2ccc(Cl)cc2C#N)CC1 1473366465 UIZMKRJORMLUJA-UHFFFAOYSA-N 324.855 4.900 30 20 DJED CC(C)(C)c1ccc(C(C)(C)CNc2ccc(C#N)cn2)cc1 1559156391 WIMISJHZTVPQFQ-UHFFFAOYSA-N 307.441 4.640 30 20 DJED N#Cc1csc(CN[C@H]2CCCC[C@@H]2Cc2ccccc2)c1 1560311041 GQUFEKVJOSRWKO-MJGOQNOKSA-N 310.466 4.511 30 20 DJED C=C(CNC(=O)Nc1ccc(C)cc1SC)c1ccccc1 1562952074 OSQPQAIVUKIISX-UHFFFAOYSA-N 312.438 4.552 30 20 DJED CC(C)(C)[C@@H](Nc1ncc(C#N)cc1F)c1ccc(F)cc1F 1612135889 WOERARZWHZXSKS-HNNXBMFYSA-N 319.330 4.570 30 20 DJED C=C(Cl)CSc1nc2ccccc2n1-c1ccccc1 1643408810 GMAAGDNCNIKLIU-UHFFFAOYSA-N 300.814 4.870 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)CC[C@H]1CCc2ccccc21 1643522693 BEIGUVWMSYFAPX-VQIMIIECSA-N 304.437 4.671 30 20 DJED C[C@@H](NCc1ccc2ccc(Cl)cc2n1)c1cccc(C#N)c1 1644466630 ZSUFAZJTWRYDGQ-CYBMUJFWSA-N 321.811 4.611 30 20 DJED C[C@H](Cc1ccc2ccccc2n1)Sc1cccc(F)c1C#N 1652010722 MUDMCVRIVWQPAH-CYBMUJFWSA-N 322.408 4.969 30 20 DJED C[C@]1(c2ccccc2)CCCN(Cc2ccc(C#N)cc2F)CC1 1652446874 XUFORHXACZOCJT-NRFANRHFSA-N 322.427 4.641 30 20 DJED N#Cc1ccccc1-c1ccc(CN2CCC3(CCCC3)C2)cc1 1653444830 AYRUHJGBALINKU-UHFFFAOYSA-N 316.448 4.991 30 20 DJED CC(C)(C#N)CCN[C@](C)(Cc1ccccc1)c1ccccc1 1653892056 USGZNHCLJDRUEF-OAQYLSRUSA-N 306.453 4.674 30 20 DJED CC(C)(C#N)c1ccccc1CN1CC[C@H](C2CCCCC2)C1 1654987687 QKRVSPMEUCHKLJ-SFHVURJKSA-N 310.485 4.890 30 20 DJED Cc1cc(CSc2nc3c(c(C)c2C#N)CCC3)c(C)s1 1656127594 OIBGDINBPHNCID-UHFFFAOYSA-N 314.479 4.721 30 20 DJED Cc1ccc(C)c(C2CCN(Cc3ccc(C#N)cc3C)CC2)c1 1656407370 OBYURNVNQFGORW-UHFFFAOYSA-N 318.464 4.863 30 20 DJED Cc1c(NN=C2CCCC[C@H]2c2ccccc2)cccc1C(=O)O 1776086318 MOBKCNAQCDOJDO-KRWDZBQOSA-N 322.408 4.819 30 20 DJED CC(C)(C)c1ccc(C(=O)/C=C/c2cccc(C(=O)O)c2)cc1 1776120175 XMQVCJXYLYSUBV-KPKJPENVSA-N 308.377 4.578 30 20 DJED CCCCCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 5461375 UXAQCBATNZSPOX-GFCCVEGCSA-N 304.459 4.653 30 20 DJED Cc1ccccc1-c1nnc(S[C@H](C)c2ccc(C#N)cc2)o1 118171257 ALKFAMKAOUNHLQ-CYBMUJFWSA-N 321.405 4.770 30 20 DJED CCCCCCCSc1nnc(-c2ccncc2)n1C1CC1 125464809 YFYIJWWLKANEKW-UHFFFAOYSA-N 316.474 4.738 30 20 DJED C/C=C(\C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 175867556 BSJQFFSTVWFNEZ-YIXHJXPBSA-N 306.365 4.564 30 20 DJED Cc1cc(C)c(C#N)c(S[C@@H](C)c2ncc(C(C)(C)C)o2)n1 177159347 KPYGTYYZUISYHM-LBPRGKRZSA-N 315.442 4.709 30 20 DJED CCCC[C@H](NCc1cc(C#N)cs1)c1ccc(OC)cc1 177695950 CPRTYUVDJPLYOH-SFHVURJKSA-N 314.454 4.649 30 20 DJED CC(C)[C@@H](NCc1ccc(C#N)s1)c1ccc(Cl)cc1F 181011266 QDNDKSBMXULBOY-MRXNPFEDSA-N 322.836 4.899 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(OC(C)C)cc2)cc1F 214943576 RLMIIBWYVHPFKK-WMZJFQQLSA-N 314.356 4.518 30 20 DJED Cc1cccc(-c2cccc(CNCc3cc(C#N)cs3)c2)c1 237814470 FGCDOFCICDBUOG-UHFFFAOYSA-N 318.445 4.885 30 20 DJED CC(C)(C)C[C@H](Nc1ccc(C#N)nn1)c1ccc(Cl)cc1 301996221 OLCUBLWIIARICN-HNNXBMFYSA-N 314.820 4.591 30 20 DJED C=CCOc1cccc(NC(=O)C[C@H](C)c2ccccc2C)c1 303713761 QFXQOTJBFQOMFH-INIZCTEOSA-N 309.409 4.692 30 20 DJED C=CCC[C@H](NCc1ncoc1-c1ccccc1)c1ccco1 367601995 QWYSOMLBKIPGQV-INIZCTEOSA-N 308.381 4.732 30 20 DJED Cc1cccc([C@@H](NCCCCC(C)(C)C#N)C(F)(F)F)c1 444689738 OSYRAXFREQIVKS-OAHLLOKOSA-N 312.379 4.908 30 20 DJED C=CC[C@H]1N(C(=O)[C@@H](CC)CC(F)(F)F)CCCC1(C)C 451215585 JAHPRPDJEBNEQF-QWHCGFSZSA-N 305.384 4.558 30 20 DJED N#CCc1ccc(NC(=O)CC2CCCCCC2)c(Cl)c1 452640718 BVRRFUBAOASOSJ-UHFFFAOYSA-N 304.821 4.705 30 20 DJED Cc1nc2ccc(CSc3ccc(C#N)cc3Cl)cc2[nH]1 460437115 NOELDJSSMSVZEP-UHFFFAOYSA-N 313.813 4.689 30 20 DJED CC(C)[C@H]1CCc2ccccc2[C@@H]1NCc1ccc(C#N)s1 462553738 QJSSXUKKINGFII-IEBWSBKVSA-N 310.466 4.669 30 20 DJED CCCCN(C(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 476291218 JUCBIZBKKQBOEB-UHFFFAOYSA-N 320.436 4.935 30 20 DJED C=C(C)[C@@H](N[C@@H](C)c1cccc(OC)c1)c1ccc(F)c(F)c1 480683139 QABXJWWMWBMFCY-ORAYPTAESA-N 317.379 4.941 30 20 DJED C=C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 488878368 MACYXBKLVYGBJB-PMPSAXMXSA-N 324.251 4.664 30 20 DJED CC(C)CCN(CCC#N)Cc1cnc(-c2cccs2)s1 513736770 LLHXSJUSBXVJBO-UHFFFAOYSA-N 319.499 4.633 30 20 DJED N#CCc1cc(Cl)ccc1NC(=O)C(C1CCC1)C1CCC1 515430545 BNGGRNVKZMAXNG-UHFFFAOYSA-N 316.832 4.561 30 20 DJED C=CCCCCCN(C)C(=O)N[C@H]1CCSc2ccccc21 524148117 FOFUIRNRQUENTE-INIZCTEOSA-N 318.486 4.611 30 20 DJED C=CCN(Cc1cccs1)C(=O)[C@@H](C)c1cccc(Cl)c1 525109224 XNAYCQISMKINMA-ZDUSSCGKSA-N 319.857 4.720 30 20 DJED C[C@@H]1C[C@@H]1[C@H](NCc1cccc(C#N)c1)c1ccc(Cl)cc1 525695762 SJFGIMVFSJTCEK-ZNZDAUKMSA-N 310.828 4.699 30 20 DJED C=CCCOCCCCC(=O)N1CCC[C@@H]1CC1CCCCC1 540492305 URGMIWVVWMKPFO-LJQANCHMSA-N 321.505 4.711 30 20 DJED N#Cc1ccccc1CSCc1ncc(Cl)cc1Cl 540724399 LUFACOUDDVASNE-UHFFFAOYSA-N 309.221 4.693 30 20 DJED C=CCCCC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542927130 FWRDJIOVXJXLRB-MRXNPFEDSA-N 318.420 4.759 30 20 DJED CC(C)OCc1ccccc1CNc1ccc(C#N)c(Cl)c1 609495680 QUMHPDQLZJXTIQ-UHFFFAOYSA-N 314.816 4.749 30 20 DJED C[C@H](NC1CC(c2cccc(Cl)c2)C1)c1cccc(C#N)c1 611438704 NUOSAHZVAQOOSK-LJSZUPLFSA-N 310.828 4.808 30 20 DJED N#CCc1ccc(NCc2c(Cl)ccc3cccnc23)cc1 612691832 NSHGIXSAKVXGRS-UHFFFAOYSA-N 307.784 4.566 30 20 DJED Cc1cccc([C@H](NCc2ccc(C#N)cc2C)C(F)(F)F)c1 614406854 CEWUATGTMNYSKT-KRWDZBQOSA-N 318.342 4.568 30 20 DJED CC(=NNc1ncnc2sccc12)c1oc2ccccc2c1C 725819542 WXDKTVAIRXLLGT-UHFFFAOYSA-N 322.393 4.582 30 20 DJED CCc1oc2ccccc2c1C=NNCCCc1ccccc1 729146386 UNXUWZKTMKZGRA-UHFFFAOYSA-N 306.409 4.552 30 20 DJED CCCCCCCCCN(C)C(=O)c1cnc(C2CC2)s1 729330422 DHLVAQHNZADBBN-UHFFFAOYSA-N 308.491 4.843 30 20 DJED COc1ccc2cc(/C=C3\Cc4cc(F)ccc4C3=O)ccc2c1 734305271 OPBWPXFZFGZIJK-RQZCQDPDSA-N 318.347 4.810 30 20 DJED N#C[C@H](Sc1nnc(-c2ccccc2)s1)C1CCCCC1 734367271 HFLSTNDSXYQXJQ-AWEZNQCLSA-N 315.467 4.770 30 20 DJED COc1ccc(C)cc1C(C)=NNc1ncc(Cl)cc1Cl 744738632 BYKCJXNSIXKCMM-UHFFFAOYSA-N 324.211 4.542 30 20 DJED Cc1ccc(NC(=S)N(CC(C)C)c2ccc(C#N)cc2)cc1 745688555 PHFQCABERHZNHO-UHFFFAOYSA-N 323.465 4.726 30 20 DJED COCCCOc1cccc(/C=C\C(=O)c2cc(C)ccc2C)c1 746341776 IEKGJCUMMCUCRM-KHPPLWFESA-N 324.420 4.615 30 20 DJED Clc1ccc(Cl)c(C=NOCc2cccnc2)c1Cl 746588523 PWXIZFVVCSZLPU-UHFFFAOYSA-N 315.587 4.593 30 20 DJED C=C(Br)CN(C)[C@H](C)c1ccc(C(F)(F)F)cc1 746650915 FNVKIWOZQAYJTK-SNVBAGLBSA-N 322.168 4.607 30 20 DJED CC1=C(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCC1 746825930 JNQQSUICHNZDMQ-HXUWFJFHSA-N 316.404 4.781 30 20 DJED COc1ccc2c(c1)CC/C(=C/c1cc3ccccc3o1)C2=O 750899910 IBCMTZPQMWJORT-QINSGFPZSA-N 304.345 4.654 30 20 DJED C#CC[C@H](NC(=O)Nc1ccc(C)cc1Cl)c1ccccc1 757774067 XZWAOCDMZDNIBK-INIZCTEOSA-N 312.800 4.535 30 20 DJED C#CCCCCCC(=O)Nc1ccccc1Cc1ccccc1 779715663 NPBMVQDIPFTYIY-UHFFFAOYSA-N 305.421 4.800 30 20 DJED O=C1/C(=C\c2ccc3cnccc3c2)COc2ccc(Cl)cc21 782351422 KJOGMMAFWSOTFT-NVNXTCNLSA-N 321.763 4.547 30 20 DJED C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(F)cc1 795989067 DHROJOMWCOKGLZ-WMLDXEAASA-N 311.356 4.517 30 20 DJED CC[C@@H](C)CCC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 796812647 UAIBIQHXVXOYLH-PWSUYJOCSA-N 320.845 4.952 30 20 DJED Cc1nn(C(C)C)cc1C=NNc1ccc(Cl)cc1Cl 799108259 QWGZYRIKPYWIGM-UHFFFAOYSA-N 311.216 4.525 30 20 DJED COc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1C#N 799494822 HNHMJHMIOZVZAU-ZRDIBKRKSA-N 313.356 4.616 30 20 DJED Fc1ccc(C(C=NNc2ccccn2)c2ccc(F)cc2)cc1 799869447 UXPPYOYXNUQPJU-UHFFFAOYSA-N 323.346 4.590 30 20 DJED Cc1cc(C(=O)/C=C\c2csc(-c3ccsc3)n2)oc1C 799895356 AMLVXAIKBOZZSE-ARJAWSKDSA-N 315.419 4.978 30 20 DJED CCCCCCCC(=O)N[C@@H]1CCSc2ccc(F)cc21 827925964 FPFVRQDXFWMRSC-OAHLLOKOSA-N 309.450 4.839 30 20 DJED CSc1ccc(/C=C/C(=O)OCCCCC(C)(C)C#N)s1 860290540 SYIUSXUYOIFKJL-SOFGYWHQSA-N 323.483 4.746 30 20 DJED Cc1ccc(/C=C\C(=O)c2c(C)[nH]c3ccccc23)cc1[N+](=O)[O-] 915114781 RHPIAECXUGOKMR-KTKRTIGZSA-N 320.348 4.589 30 20 DJED COc1cccc(C=NNc2ccccc2Cl)c1OC(C)C 916262530 PIVNVHYPIDDKLA-UHFFFAOYSA-N 318.804 4.582 30 20 DJED CCCOc1cccc(/C=C\C(=O)c2c[nH]c3ccccc23)c1 917146193 UMPUCLWEHHRWSJ-KHPPLWFESA-N 305.377 4.853 30 20 DJED COc1cc(C#N)ccc1CSCc1ccccc1Cl 1165977890 HJTUBEUIHGUNRQ-UHFFFAOYSA-N 303.814 4.654 30 20 DJED Cc1cc(SCc2ccc(Br)s2)ccc1C#N 1166399796 SGQJSXHQJKFTJO-UHFFFAOYSA-N 324.268 4.983 30 20 DJED Cc1ccc(CNc2cccc(C#N)c2C)c(Br)c1 1178831130 IJUMITYJUYWVOL-UHFFFAOYSA-N 315.214 4.550 30 20 DJED Cc1ccc(C[C@@H](C#N)S[C@@H]2CCc3ccccc3C2)cc1 1189702372 MFLPGZKIZZZHPE-UXHICEINSA-N 307.462 4.720 30 20 DJED CC(C)(C)[C@H]1Cc2ccccc2N(CCc2ccc(C#N)cc2)C1 1196919237 JXLJVCAQRUXEHZ-FQEVSTJZSA-N 318.464 4.826 30 20 DJED Cc1ccc(NN=Cc2cn[nH]c2-c2cccs2)cc1Cl 1248491079 GQOGSRPVMQKLCY-UHFFFAOYSA-N 316.817 4.546 30 20 DJED CC(C)c1ccc(CCNc2ccccc2O[C@@H](C)C#N)cc1 1308635117 KOGJVELDYPQEEA-INIZCTEOSA-N 308.425 4.755 30 20 DJED CC1(CC(=O)Nc2sc3c(c2C#N)CCCC3)CCCCC1 1352478097 SSIVBXKHDRXBES-UHFFFAOYSA-N 316.470 4.798 30 20 DJED CC(C)Cc1ccc(C(=O)Nc2ccc(Cl)cc2C#N)s1 1437647430 YURGRXHBONNJNT-UHFFFAOYSA-N 318.829 4.724 30 20 DJED CC[C@H](C)C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1460090116 XWKOZJQRUFZODY-ZDUSSCGKSA-N 310.422 4.694 30 20 DJED CCN(C[C@@H]1CCc2ccccc21)[C@H](C)c1ccc(C#N)cc1 1461957568 WVGYBRHOPJQPNJ-UZLBHIALSA-N 304.437 4.671 30 20 DJED C[C@@H](SCc1cn2ccccc2c1C#N)c1ccccc1F 1472983744 WWXSIYMWIPFBKN-CYBMUJFWSA-N 310.397 4.944 30 20 DJED N#Cc1ccc(CSCc2cccc(OC(F)F)c2)s1 1472995122 UMNUIRJHVIVRPG-UHFFFAOYSA-N 311.378 4.655 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc2ccccc12 1473109150 QAADANOEQKOPCN-INIZCTEOSA-N 300.405 4.904 30 20 DJED CC[C@H](C#N)[C@@H](OC(=O)/C(C)=C/c1ccco1)c1cccs1 1519365295 KLFHYTMFAPKHJS-MEGULBDMSA-N 315.394 4.579 30 20 DJED CCC[C@H](CC1CCCCC1)C(=O)Nc1ccc(C#N)c(C#N)c1 1523446016 FZQCJBYNZPYRKQ-MRXNPFEDSA-N 323.440 4.755 30 20 DJED CCC[C@H]1CCC[C@@H]1C(=O)N(c1ccc(C#N)cc1)C1CCC1 1533787759 QELMNNNRFGGBML-LPHOPBHVSA-N 310.441 4.660 30 20 DJED CC[C@H](C#N)C(=O)N[C@H](c1cccc(Cl)c1)C1CCCCC1 1545737815 UDBFIJAHRNNTEN-DYVFJYSZSA-N 318.848 4.627 30 20 DJED CC[C@@H](CN(CC)Cc1ccc(C#N)cc1F)c1ccccc1 1560771844 HFMUYCUOHNYMKD-KRWDZBQOSA-N 310.416 4.713 30 20 DJED Cc1ccc(Oc2cccc(NC(=O)CC(C)(C)C#N)c2)c(C)c1 1597401162 GABBYNFGUOIHDF-UHFFFAOYSA-N 322.408 4.974 30 20 DJED CC(C)[C@@H](Nc1ncc(C#N)cc1F)c1ccc(Cl)cc1 1611766203 FMIQTIKDHHQBHW-OAHLLOKOSA-N 303.768 4.555 30 20 DJED Cc1cc(C)c(C#N)c(SCc2ccccc2C(F)(F)F)n1 1613190215 PAXFPSUCEYCZNV-UHFFFAOYSA-N 322.355 4.881 30 20 DJED CC(C)(C#N)c1ccccc1CN1CC2(CC2)c2ccccc21 1617332900 YTYDOMUCKUBCIM-UHFFFAOYSA-N 302.421 4.540 30 20 DJED C[C@@H](CC(=O)Nc1cc(C#N)ccc1NC1CC1)CC(C)(C)C 1617676277 OIQMZCDYWDBHLR-ZDUSSCGKSA-N 313.445 4.533 30 20 DJED CN(Cc1ccc2ccccc2c1)C(=O)CC1(C#N)CCCCC1 1617990810 XSLUVKYSUZVOSO-UHFFFAOYSA-N 320.436 4.662 30 20 DJED CCCC[C@@H](CC)CCCN(C)C(=O)c1ccc(C)c(C#N)c1 1618242902 BODYWCJJURAGHG-QGZVFWFLSA-N 314.473 4.935 30 20 DJED CC[C@H](CSc1ccccc1)Nc1ccc(Cl)c(C#N)n1 1639676950 WZRFBTJDXXOPJK-GFCCVEGCSA-N 317.845 4.589 30 20 DJED CC1(C)CC[C@H](Sc2nc(C(F)(F)F)ccc2C#N)C1 1641069051 RYYUHGKJPXLPPP-JTQLQIEISA-N 300.349 4.643 30 20 DJED N#CCc1ccc(CN2CCC[C@@H](c3ccc(F)cc3)CC2)cc1 1645018495 UNWDGADOCYKXKQ-LJQANCHMSA-N 322.427 4.661 30 20 DJED Cc1cc(C)cc(C[C@@H](C)Nc2nc(C)c(C#N)cc2Cl)c1 1651572611 PDKVHBVMCGQHBJ-CYBMUJFWSA-N 313.832 4.575 30 20 DJED CCOc1ccc(C#N)cc1NCc1ccc(C)cc1Cl 1656390781 KNXPIQOXGXIFOL-UHFFFAOYSA-N 300.789 4.531 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC[C@@H]1C[C@H]1c1ccccc1 1662606238 QFZFIKOEKOQIBL-ROUUACIJSA-N 306.409 4.561 30 20 DJED CCCC(=NNc1ccc(Cl)c(C(=O)O)c1)C1CCCC1 1776033897 VQXDEMNIQFULQB-UHFFFAOYSA-N 308.809 4.796 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1O 7741934 NBDGTEDNWKKVBY-QHHAFSJGSA-N 323.175 4.604 30 20 DJED Cc1c(C(=O)OCCCCC#N)oc2c1ccc1ccccc12 26459756 UQCUTYLHCOFGGQ-UHFFFAOYSA-N 307.349 4.745 30 20 DJED C=CCN(C(=O)CC1CCC1)c1nc(-c2ccccc2)cs1 73852151 RPQZPUNLNJLYCX-UHFFFAOYSA-N 312.438 4.519 30 20 DJED CC[C@H](C)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 105039617 QREUSKCOXMGZQP-AWEZNQCLSA-N 323.396 4.613 30 20 DJED O=C(/C=C/c1ccc2ncccc2c1)c1ccc(F)c(Cl)c1 107842628 HSHCHYUCSAAQKC-XBXARRHUSA-N 311.743 4.923 30 20 DJED C=CCC[C@H](NC(=O)N(C)Cc1ccsc1)c1ccccc1 160491748 HQDVUJLLZYGKPN-KRWDZBQOSA-N 314.454 4.597 30 20 DJED CCOc1ccc(C(=O)/C=C\c2ccnc3ccccc23)cc1 212834513 ODPWQXSMXNCOAW-XFXZXTDPSA-N 303.361 4.530 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)s1 255025863 HHKZCDUJNZRZJK-SREVYHEPSA-N 316.385 4.578 30 20 DJED Cc1cc(N[C@H](C)c2cccc(C#N)c2)c(Cl)cc1[N+](=O)[O-] 301456468 CESALCURSVAWRR-LLVKDONJSA-N 315.760 4.601 30 20 DJED CC[C@@H](NCCc1ccc(SC)cc1)c1ccc(C#N)cc1 436288317 VLCJERZYSPDMOX-LJQANCHMSA-N 310.466 4.564 30 20 DJED C=CCCC[C@H](C)NC(=O)c1ccc(-c2csc(C)n2)cc1 441286245 HIXTVJHGVXNOJZ-ZDUSSCGKSA-N 314.454 4.593 30 20 DJED N#CC1CCC(CN[C@H]2CCC[C@@H]2CCc2ccccc2)CC1 442872184 HNJCRGUNDQOSIZ-VFUGHAIPSA-N 310.485 4.707 30 20 DJED CC[C@H](NCc1ccccc1OC(C)C)c1ccc(C#N)cc1 447531883 UAHRQPVYHWXELT-IBGZPJMESA-N 308.425 4.586 30 20 DJED C=CCC1(C(=O)N[C@@H](CC)c2nc(C)cs2)CCCCC1 448919336 ZWMMEUXTBNOQRE-AWEZNQCLSA-N 306.475 4.545 30 20 DJED Cc1ccc(C)c([C@H]2CCCN2c2ncc(C#N)cc2Cl)c1 474777073 VRBSZKWAWSIVLU-QGZVFWFLSA-N 311.816 4.565 30 20 DJED C=CCC1(C(=O)N2CC=C(c3ccccc3Cl)CC2)CCC1 480594208 VCCQYALYGANDRU-UHFFFAOYSA-N 315.844 4.702 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1cccc(Cl)c1Br 486830251 ZJWZMHKNPSALHC-CYBMUJFWSA-N 316.626 4.643 30 20 DJED Cc1cccc([C@@H](NCc2ccc(C#N)c(C)c2)C(F)(F)F)c1 488309156 ODVJNFBEHQYELN-QGZVFWFLSA-N 318.342 4.568 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)/C=C\C1CCCC1 493300872 YHVUQPLBDZWQGF-IWMPZKFUSA-N 314.454 4.623 30 20 DJED CC(C)(C)CN(CCC#N)Cc1cnc(-c2ccccc2)s1 513730346 YURWYZZENSSPAT-UHFFFAOYSA-N 313.470 4.572 30 20 DJED C=CCCSCc1coc(-c2ccc(Br)cc2)n1 524604997 NOKBZEYWAHLVNU-UHFFFAOYSA-N 324.243 4.913 30 20 DJED Cc1ccc2oc(CN(Cc3ccco3)CC3(C#N)CC3)cc2c1 537251896 CQEKHYIZUHRDFK-UHFFFAOYSA-N 320.392 4.640 30 20 DJED CC[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1cc(F)ccc1F 537406585 HKERUERHMAHUFM-ADLMAVQZSA-N 318.342 4.777 30 20 DJED C[C@H](CN[C@@H](CC(F)(F)F)c1ccc(F)cc1)C(F)(F)F 538177558 ZROKYJFNTXYALK-KCJUWKMLSA-N 317.248 4.607 30 20 DJED COc1cc(C)ccc1[C@H](C)N[C@@H](CCC#N)c1ccccc1 540148407 MXXDXJXLWKURAC-LPHOPBHVSA-N 308.425 4.699 30 20 DJED C[C@@H](c1cccc(C(F)(F)F)c1)N(CC1(C#N)CC1)C1CC1 540549817 PSBNRDJBIWDANZ-LBPRGKRZSA-N 308.347 4.535 30 20 DJED CC[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(Cl)c1 551557852 MKSSKELDNRVPJG-GOSISDBHSA-N 310.828 4.942 30 20 DJED Cc1cccc(Oc2ccc(NC[C@H](C#N)CCC#N)cc2)c1 554538182 RKZWBWLNRXXMGO-INIZCTEOSA-N 305.381 4.643 30 20 DJED N#CC1(c2ccc(-c3ccc(Cl)s3)cc2)CCOCC1 598911289 QWHVBDCQKCBJRS-UHFFFAOYSA-N 303.814 4.640 30 20 DJED C=CC[C@@H](C)NC(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1 604900759 GZZMIGSQVZINEV-GHMZBOCLSA-N 315.244 4.660 30 20 DJED C=CCCCOc1ccc(N(C)C(=O)c2ccc(C)cc2)cc1 605076819 HBYKKNWEDFXGJK-UHFFFAOYSA-N 309.409 4.617 30 20 DJED C=CCCCCCN(C)C(=O)c1cccc(OCC(C)C)c1 606816394 VKSGJFHFQAGOKO-UHFFFAOYSA-N 303.446 4.540 30 20 DJED CSc1ccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1F 610829969 UOPUBLRSQDAVGQ-STQMWFEESA-N 314.429 4.831 30 20 DJED CC(C)(C)Sc1ccc(NC(=O)c2cccc(CC#N)c2)cc1 726760583 PKFMUISHHAFOQR-UHFFFAOYSA-N 324.449 4.896 30 20 DJED O=C(/C=C\c1cc(F)c(F)c(F)c1)c1c[nH]c2cc(F)ccc12 727974660 LOOBNGCSHMTLJL-RJRFIUFISA-N 319.257 4.620 30 20 DJED C=CCN(C(=O)N[C@H](C)c1ccc(SC(C)C)cc1)C(C)C 729054529 YDXCWRTWVLPTJU-OAHLLOKOSA-N 320.502 4.854 30 20 DJED C=CCN(C(=O)N[C@H](C)c1csc2ccccc12)C(C)C 730068500 OCRJESLQVRYOST-CYBMUJFWSA-N 302.443 4.568 30 20 DJED C[C@@H](CC1CCCC1)C(=O)[C@H](C#N)c1ccc2ccccc2n1 734078900 DQWKBAQLYOUDCO-WMLDXEAASA-N 306.409 4.627 30 20 DJED CCCCCC[C@H](CC)C(=O)Nc1cccc(OCC#N)c1 735003450 VJCBIWVPRDVVHG-HNNXBMFYSA-N 302.418 4.524 30 20 DJED C=C(C)CN(CC)C(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 742532337 JKGKLAQPGSULRU-UKTHLTGXSA-N 311.347 4.533 30 20 DJED CCC(CC)(C/N=C\c1c(O)ccc2ccccc12)SC 743044257 HXRMMPMMFNKRCO-UNOMPAQXSA-N 301.455 4.886 30 20 DJED CCOc1ccc(C=NOCc2ccc(C(F)(F)F)cc2)cc1 749353721 YXOARSBPOYCGGO-UHFFFAOYSA-N 323.314 4.655 30 20 DJED c1ccc(CCCC(=NOC2CCOCC2)c2ccccc2)cc1 774471473 QVQQWNUEMZTJHK-UHFFFAOYSA-N 323.436 4.609 30 20 DJED O=C(/C=C/c1cccc(C(=O)O)c1Cl)c1ccc(Cl)cc1 787166886 GAVZMGJGLGXXKZ-RMKNXTFCSA-N 321.159 4.588 30 20 DJED CC(=NNc1cccc(C(F)(F)F)n1)C1CCC(F)(F)CC1 788716761 MKLIKTVEAIZGOQ-UHFFFAOYSA-N 321.293 4.714 30 20 DJED Cc1cc(F)ccc1C(=O)/C=C/c1cnc(-c2ccco2)s1 789142276 JUYZEEQRZKIKJM-FNORWQNLSA-N 313.353 4.747 30 20 DJED CCCCCCCCC(=O)Nc1cnn(C)c1-c1ccccc1 805454476 IEDRVYSMFYCFBE-UHFFFAOYSA-N 313.445 4.776 30 20 DJED CCCC(=NNc1nc(-c2ccccc2)cs1)c1cccnc1 814769952 XZXACXVCHXTPBT-UHFFFAOYSA-N 322.437 4.821 30 20 DJED C#Cc1cccc(N(C(=O)c2cc(F)ccc2Cl)C(C)C)c1 815605472 VLNUAQRDOLJLHY-UHFFFAOYSA-N 315.775 4.516 30 20 DJED Clc1cc(NN=C2CCC[C@H]2c2ccccn2)cc(Cl)n1 819828475 FFCCVWSKWJYJFZ-NSHDSACASA-N 321.211 4.519 30 20 DJED Cc1ccc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c(O)c1C 841763007 SWNMJMLTXNTAAZ-MGPUTAFESA-N 320.436 4.609 30 20 DJED CCCc1ccc(CNc2ccccc2O[C@@H](C)C#N)s1 856776530 ULNVGRUCQJYPBZ-ZDUSSCGKSA-N 300.427 4.604 30 20 DJED CCCCCC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917043062 GIZLQMDCBZBNTH-LLVKDONJSA-N 306.818 4.706 30 20 DJED O=C(/C=C/c1cccc(OC2CCCC2)c1)c1cccc(O)c1 917518268 ZLNVRCAASXNOJM-VAWYXSNFSA-N 308.377 4.610 30 20 DJED CC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1scnc1C 917552468 QWKYEWQIYITIBS-GFCCVEGCSA-N 301.459 4.650 30 20 DJED C=CCN(C(=O)Nc1cccc(COc2ccccc2)c1)C(C)C 918049465 BRTPYHKXKPOXAB-UHFFFAOYSA-N 324.424 4.694 30 20 DJED CCCCCCC[C@H](C)CNC(=O)N(C)Cc1cccc(O)c1 918134670 BPJRLAZCALKUOR-INIZCTEOSA-N 320.477 4.530 30 20 DJED C[C@@H](C1CCCCC1)N(C)Cc1cc(Cl)ccc1OCC#N 1169724178 LXDPNJCQHPUOIA-AWEZNQCLSA-N 320.864 4.643 30 20 DJED CCCCC1CCC(NC(=O)c2ccc(C#N)c(Cl)c2)CC1 1355895230 OKAJLALSFBPPNA-UHFFFAOYSA-N 318.848 4.690 30 20 DJED CCC[C@@H](C(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccccc1 1457188791 CJXWCANXSRZIIY-DNVCBOLYSA-N 307.393 4.746 30 20 DJED N#Cc1ccc2c(c1)CCCN2Cc1cc(Cl)cc(Cl)c1 1460171192 LFJSZXNZZKXQIX-UHFFFAOYSA-N 317.219 4.818 30 20 DJED Cc1cc(C(F)(F)F)cc(C)c1NC(=O)c1cc(C#N)cs1 1462644030 JCSAYGBEVBPGTO-UHFFFAOYSA-N 324.327 4.508 30 20 DJED CC(C)CC[C@@H]1CCCCN1C(=O)Nc1ccc(F)c(C#N)c1 1465518813 MWFVHNTWLADRQI-INIZCTEOSA-N 317.408 4.520 30 20 DJED CCCC[C@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)C(C)C 1556346107 JEMOQWPNFNAXEV-INIZCTEOSA-N 313.445 4.533 30 20 DJED Cc1cccc(CN(CC(C)C)c2ncc(C#N)cc2Cl)c1 1559083233 XVRGDPOGGLNSSN-UHFFFAOYSA-N 313.832 4.578 30 20 DJED N#Cc1cc(CN2C[C@@H]3CCCC[C@]32c2ccccc2)ccc1F 1559603723 HFVJWBMKXYECNR-FPOVZHCZSA-N 320.411 4.599 30 20 DJED Cc1c(C(=O)O[C@H]2CCC[C@@H](C#N)C2)sc2ccc(F)cc12 1583559265 ITVHQYSMADRMMK-YPMHNXCESA-N 317.385 4.588 30 20 DJED CCC(CC)N(C(=O)Cc1cccc(C#N)c1)c1cccc(C)c1 1586703942 XVICZQDAHVPUFJ-UHFFFAOYSA-N 320.436 4.631 30 20 DJED N#CCOc1ccc(CN(c2ccc(F)cc2)C2CCCC2)cc1 1644869780 SIPLYFBEMSYVCX-UHFFFAOYSA-N 324.399 4.677 30 20 DJED CCOc1c(Cl)cccc1CNc1cc(C)cc(C#N)c1 1651210152 FOBAOWWXRVWQPP-UHFFFAOYSA-N 300.789 4.531 30 20 DJED N#Cc1cnc(N[C@@H](c2ccccc2F)C2CCCC2)c(F)c1 1651616257 AQZVWDWTFIAOTP-QGZVFWFLSA-N 313.351 4.575 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1Cc2ccccc2C2(CCC2)C1 1658601491 HQNRESKCAAMOES-INIZCTEOSA-N 302.421 4.557 30 20 DJED N#C[C@@H]1CC[C@@H](N[C@H](c2ccc(F)cc2)C2CCCCC2)C1 1659841919 XDQSRWDHPWUSIF-ZMYBRWDISA-N 300.421 4.729 30 20 DJED N#Cc1c(F)cccc1CN(CCc1ccccc1)C1CCCC1 1663875706 HEFAXSGLIGDVJM-UHFFFAOYSA-N 322.427 4.685 30 20 DJED CC(C)c1ccccc1/C=C1\C[C@@H](C(=O)O)c2ccccc2C1=O 1776378091 RCELILDXUUKVFN-FERCGXDMSA-N 320.388 4.648 30 20 DJED Cc1ccc(Br)cc1N[C@@H](C)c1ccc(C#N)cc1 37091349 GFQNWOCZLPZFQO-LBPRGKRZSA-N 315.214 4.802 30 20 DJED N#CC1(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCCC1 44293018 FWXLLMHVPISRLJ-UHFFFAOYSA-N 317.603 4.669 30 20 DJED CCCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 56529172 UPJYPYOWSFFUDG-UHFFFAOYSA-N 323.396 4.581 30 20 DJED COc1cccc(C(=O)/C=C/c2cccc(C(F)(F)F)c2)c1 57437939 SDYJWWHBLGGKJR-CMDGGOBGSA-N 306.283 4.610 30 20 DJED O=C(/C=C\c1cccnc1)c1ccc(OCc2ccccc2)cc1 79823873 SWQGEEPIHBVDOB-JYRVWZFOSA-N 315.372 4.557 30 20 DJED C[C@@H](C(=O)N(CC#N)c1ccccc1)c1ccc2ccccc2c1 84534378 XKXMBLPUDUUQNA-MRXNPFEDSA-N 314.388 4.500 30 20 DJED N#CCCCOc1cccc(/C=C2\CCc3ccccc3C2=O)c1 102598433 HZCACZOPPPURKK-NBVRZTHBSA-N 317.388 4.582 30 20 DJED C[C@@H](Nc1ccc(F)cc1C#N)c1ccc(Br)cc1 113317527 DWTJQUWSNIDTGK-SNVBAGLBSA-N 319.177 4.633 30 20 DJED N#CCCCOc1cccc(NCc2cc3ccccc3o2)c1 119751589 VTCYUJZKEDSZEZ-UHFFFAOYSA-N 306.365 4.727 30 20 DJED C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 124883969 HCFCPNLUTGJHHA-STQMWFEESA-N 318.342 4.989 30 20 DJED Cc1nc(N[C@@H](CCC#N)c2ccccc2)c2c(C)csc2n1 127935272 TZIIMQFZWRBEGM-HNNXBMFYSA-N 322.437 4.765 30 20 DJED C[C@H]1C/C(=C/c2ccc(O[C@H](C)C#N)cc2)C(=O)c2ccccc21 131146262 BOEYPTXMBZWUKL-DYVGXENMSA-N 317.388 4.751 30 20 DJED N#CCC[C@@H](Nc1ccnc2cc(F)ccc12)c1ccccc1 164320229 CCLWRHCVYIAXFB-QGZVFWFLSA-N 305.356 4.831 30 20 DJED C[C@H](C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1 182644111 LOXWXKLOVWKHLV-CABCVRRESA-N 324.449 4.823 30 20 DJED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccsc1 182921337 YLBAAEWGQZOBOQ-UHFFFAOYSA-N 320.373 4.664 30 20 DJED C=Cc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 192085816 BINHFAZPZJKYJD-AWEZNQCLSA-N 322.433 4.976 30 20 DJED C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 193047986 ORIXSESBFZHUSM-OAHLLOKOSA-N 321.424 4.713 30 20 DJED Cc1cn2c(/C=C\C(=O)c3cccc(Cl)c3)c(C)nc2s1 206381750 UCXLQPXZKQZJHM-SREVYHEPSA-N 316.813 4.562 30 20 DJED N#Cc1csc(/C=C\C(=O)c2ccccc2C(F)(F)F)c1 255055551 WKKMFTADXHHSND-WAYWQWQTSA-N 307.296 4.535 30 20 DJED Cc1c(F)cccc1N=C(O)C1CCC(/N=C(/O)C2CC2)CC1 330018708 TZLYXZLEYHRAEN-UHFFFAOYSA-N 318.392 4.647 30 20 DJED C=CCC[C@@H](NCc1cc[nH]c1)c1ccc(C(F)(F)F)cc1 345017195 ISUQHPSGOHJVQT-MRXNPFEDSA-N 308.347 4.831 30 20 DJED N#CC1(CSCc2csc(-c3cccs3)n2)CCC1 419354120 DBQBPAUHAYYNTA-UHFFFAOYSA-N 306.481 4.799 30 20 DJED N#C[C@H]1CC[C@@H](N[C@H]2CCCSc3ccc(Cl)cc32)C1 424316737 BHMVKAYMZAFPIS-LNSITVRQSA-N 306.862 4.549 30 20 DJED C=CCCCC(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C 433067764 OQYMSKROMSFZQY-LLVKDONJSA-N 312.240 4.795 30 20 DJED C[C@@H](SCc1ncc(C(C)(C)C)o1)c1cccc(C#N)c1 443153282 GIROJADBMDXANN-GFCCVEGCSA-N 300.427 4.838 30 20 DJED C=CCC(CC=C)C(=O)NC1CC(c2ccc(F)c(Cl)c2)C1 467851534 BVVIYCDRMZHQIU-UHFFFAOYSA-N 321.823 4.610 30 20 DJED N#Cc1ccc(F)cc1CSCc1nc2ccccc2s1 469092485 VCVCZBSLDPTJTI-UHFFFAOYSA-N 314.410 4.740 30 20 DJED C=C(C)CN(Cc1ccccc1)Cc1ncccc1C(F)(F)F 470913581 QIFPAHCRAALBTG-UHFFFAOYSA-N 320.358 4.679 30 20 DJED CCCC[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)C1CCC1 476305386 OFRBSOZZOABNEC-RTBURBONSA-N 312.457 4.549 30 20 DJED C=C(C)[C@H](NCc1cc(F)ccc1F)c1ccc(F)c(F)c1 479411125 QNJOEJCCJMKGSU-KRWDZBQOSA-N 309.306 4.650 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@H]2NC1(c2ccccc2F)CC1 481998146 HWAUMSCKZKANBY-HXUWFJFHSA-N 320.411 4.744 30 20 DJED CCCOc1ccc(C(C)(C)NCc2ccc(CC#N)cc2)cc1 483264195 DXCBLDYXTNNSOF-UHFFFAOYSA-N 322.452 4.566 30 20 DJED CC(C)(CCC#N)CNC(=O)Nc1cccc(-c2ccccc2)c1 495550093 YVZFLCPDNGFSEP-UHFFFAOYSA-N 321.424 4.805 30 20 DJED C[C@H](Nc1ccc(Cl)c(OC(F)F)c1)c1ccc(C#N)cc1 502583360 AMWVFUNKJYCWGI-JTQLQIEISA-N 322.742 4.986 30 20 DJED C=C(C)CCc1noc(-c2ccc(-c3ccc(C(C)=O)cc3)o2)n1 508616995 GBCMKKYUIAINNQ-UHFFFAOYSA-N 322.364 4.708 30 20 DJED C=CCCO[C@H](C)C(=O)N[C@@H](CC(C)C)c1ccc(Cl)cc1 525026604 CZAKZXLMEKRDOH-PBHICJAKSA-N 323.864 4.525 30 20 DJED CCN(C(=O)c1ccc(CC#N)cc1)c1cccc2ccccc12 534612632 CFIQXQKNWUOUEG-UHFFFAOYSA-N 314.388 4.573 30 20 DJED CC(C)c1ccc2c(c1)[C@@H](NCc1ccc(C#N)s1)CCC2 539563267 BSOOVUMXYFNHQB-IBGZPJMESA-N 310.466 4.910 30 20 DJED Cc1ccccc1COc1cccc(NCc2ccc(C#N)o2)c1 539930989 FIKHHGYNZKHWHW-UHFFFAOYSA-N 318.376 4.651 30 20 DJED CSc1ccc([C@H](C)Nc2ccc(Cl)c(C#N)n2)cc1 542853149 FNXCBQLBAGCNLP-JTQLQIEISA-N 303.818 4.502 30 20 DJED C=CCCCC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542927124 FWRDJIOVXJXLRB-INIZCTEOSA-N 318.420 4.759 30 20 DJED C=CCC(C)(C)c1noc([C@H](C)Cc2cncc3ccccc23)n1 560029397 VLIIXUAJWUXLNO-CQSZACIVSA-N 321.424 4.818 30 20 DJED CC(C)(C#N)c1ccccc1CNc1cc(F)ccc1Cl 570226553 ZJWIQQKRQSVDSR-UHFFFAOYSA-N 302.780 4.892 30 20 DJED C[C@H](NCc1ccc(F)cc1C#N)c1ccc(F)c2ccccc12 580253330 SABHQOHJCMTBBE-ZDUSSCGKSA-N 322.358 4.840 30 20 DJED N#Cc1ccc2c(c1)[C@H](NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)CC2 589340474 FOIIOIWURLWXKB-FRFSOERESA-N 322.374 4.504 30 20 DJED Cc1cccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1C 602788860 WEHZLHHUGWLAPV-UHFFFAOYSA-N 324.449 4.758 30 20 DJED CCN(C(=O)C[C@@H](C)CC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 603956528 VJMFFFNQQZOSPR-HZPDHXFCSA-N 314.473 4.930 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)c2cc3occc3s2)n1 673814254 KWTMUVICYBOCFP-VIFPVBQESA-N 316.407 4.564 30 20 DJED CCCC[C@H]1CCCC1=NNc1oc(CC(C)C)nc1C#N 727257535 RCMZEDHQXGVARG-ZDUSSCGKSA-N 302.422 4.503 30 20 DJED C#Cc1cccc(N(CC)C(=S)Nc2ccccc2Cl)c1 728447566 IGLSUXCLSDJDQC-UHFFFAOYSA-N 314.841 4.545 30 20 DJED Cc1cccc(C(=O)/C=C\c2cn3cc(Cl)ccc3n2)c1C 734305543 WXHOANVSUWRUEU-FPLPWBNLSA-N 310.784 4.501 30 20 DJED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1cc2c(cc1O)CCCC2 756625321 JKHBATLYMWHYOF-CABCVRRESA-N 320.436 4.554 30 20 DJED C#CC[C@@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1ccccc1 756776880 ULWFBYJONUHGSS-HRAATJIYSA-N 319.448 4.686 30 20 DJED CCCCCCCCC(=O)N1CCC[C@@H]1c1ccc(COC)o1 767221223 RIBADUFVINRHKI-QGZVFWFLSA-N 321.461 4.840 30 20 DJED Cc1ccc(COc2cccc(NCc3ccc(C#N)o3)c2)cc1 770571234 RKRMDGNPSOSORV-UHFFFAOYSA-N 318.376 4.651 30 20 DJED C#CC[C@H](NCc1csc(-c2ccc(C)o2)n1)c1ccccc1 775399756 UHIYKLNUXJLGLH-KRWDZBQOSA-N 322.433 4.566 30 20 DJED C#CC[C@H](NCc1c(Cl)ccc2cccnc12)c1ccccc1 775402916 DGKGUBXKRMYWSY-IBGZPJMESA-N 320.823 4.742 30 20 DJED C[C@H](Nc1cccc(N2CCCCC2)c1)c1cccc(C#N)c1 776869925 MIOWOMMPXLGJTL-INIZCTEOSA-N 305.425 4.722 30 20 DJED CC(C)c1ccccc1CN[C@H]1CCCc2cc(C#N)ccc21 783315758 IJVMYZRNYCFPPT-NRFANRHFSA-N 304.437 4.849 30 20 DJED C=CCC[C@H](N[C@@H](C)C[C@H](O)c1ccc(F)cc1)c1ccco1 789743686 JMNWOMFJLNMHMI-WBAXXEDZSA-N 317.404 4.528 30 20 DJED O=C(/C=C/c1ccsc1Cl)c1c(Cl)nc2ccccn12 790219967 PUGSXMICPIEGQU-SNAWJCMRSA-N 323.204 4.599 30 20 DJED CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)[C@@H](C#N)c1ccccn1 796780007 GEQWVJHSXDSCHI-GWWPLSDWSA-N 324.468 4.891 30 20 DJED Clc1cc(Cl)cc(NN=C2CCCC23CCOCC3)c1 799885690 ADCGBTFGCSECQB-UHFFFAOYSA-N 313.228 4.742 30 20 DJED C[C@@H]1CCc2c(F)cccc2[C@@H]1Nc1nc(Cl)c(C#N)s1 804537418 UMFDDXHICNITFW-AMIZOPFISA-N 321.808 4.543 30 20 DJED C#Cc1cccc(NC(=O)N2C[C@@H](C)CC[C@H]2c2ccccc2)c1 806183937 ZPSNZYBOXUZYLE-JXFKEZNVSA-N 318.420 4.673 30 20 DJED C#CCN(Cc1ccccc1)C(=O)Nc1cccc2ccsc12 806366257 PFHNZQGYFPFSLG-UHFFFAOYSA-N 320.417 4.569 30 20 DJED CC(C)(C)c1ncc(/C=C/C(=O)c2cccc(C3CC3)c2)cn1 840719417 IXDYYIOCFHPENB-JXMROGBWSA-N 306.409 4.548 30 20 DJED C=C(Cl)CS[C@H](C)C(=O)Nc1ccccc1C(F)(F)F 853782773 MOVASNROWWYQJV-SECBINFHSA-N 323.767 4.518 30 20 DJED Cc1ccsc1/C=C/C(=O)c1sccc1Br 915113418 OTAIWJCKRGLKQZ-NSCUHMNNSA-N 313.241 4.777 30 20 DJED COc1cc(/C=C\C(=O)c2ccccc2C)ccc1OC(F)F 916155663 QWPCPCZRDXYDQN-CLFYSBASSA-N 318.319 4.501 30 20 DJED C=CCN(C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C(C)C 916707099 HXSUEXIRUGPDTG-UHFFFAOYSA-N 306.409 4.686 30 20 DJED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1coc2ccccc12 926314917 JAPJISDBOXNROM-BFUOFWGJSA-N 302.377 4.643 30 20 DJED CC(C)CC1(CNC(=O)c2ccc(C#N)c(Cl)c2)CCCC1 1126964366 OOBKLEKKFZTPNV-UHFFFAOYSA-N 318.848 4.548 30 20 DJED CC(C)[C@H](C)C(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C 1129333476 MKMGWWCCZIXOPK-SRVKXCTJSA-N 304.459 4.536 30 20 DJED CCc1sc(C(=O)Nc2cc3ccccc3cc2C#N)cc1C 1129796372 XSZPKZKUAJUJFU-UHFFFAOYSA-N 320.417 4.896 30 20 DJED C[C@H](CCC#N)CN(Cc1cccs1)C1Cc2ccccc2C1 1181729077 JUZSWSOFVPZYKR-MRXNPFEDSA-N 324.493 4.657 30 20 DJED CC(C)c1ccc2c(c1)[C@H](NCc1ccc(C#N)cc1F)CCC2 1201842019 DVSFGPYHWOXDJV-OAQYLSRUSA-N 322.427 4.988 30 20 DJED C[C@@H](CCNC(=O)Nc1ccc(C#N)cc1Cl)CC(C)(C)C 1215837953 HCXCSMRGYPKDIW-LBPRGKRZSA-N 321.852 4.796 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@@H]1c1cccc(Cl)c1 1233082773 YQGGVPCRAQSHEL-LJQANCHMSA-N 310.828 4.857 30 20 DJED C[C@H](CCN(Cc1ccc(C#N)cc1)C1CC1)c1ccccc1 1308638901 KJVKVALHINOPNX-QGZVFWFLSA-N 304.437 4.716 30 20 DJED CC(C)CC[C@H](NC(=O)Nc1ccc(C#N)cc1)C(C)(C)C 1309984763 QARXZVBQZCEXJM-INIZCTEOSA-N 301.434 4.531 30 20 DJED Cc1ccc(O)c2c1[C@@H](C)CC2=NNc1nc2ccccc2s1 1317756625 NDUHIXGQVDBPDC-NSHDSACASA-N 323.421 4.634 30 20 DJED C=CCC[C@@H]1CCCN1C(=O)Nc1c(C)cccc1OC(F)F 1345223799 PQJQXNUTSFCMLZ-CYBMUJFWSA-N 324.371 4.559 30 20 DJED N#Cc1cccc(-c2nnc([C@@H]3CC[C@H]4CCCC[C@H]4C3)o2)c1 1348898641 DCHUBTVDPSRTNO-HLLBOEOZSA-N 307.397 4.682 30 20 DJED C[C@@H]1CC[C@@H](C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C 1456951908 XWQXHVOELXIRTA-IJLUTSLNSA-N 324.346 4.588 30 20 DJED N#Cc1nc(N2CCC[C@H]2CCC2CCCC2)ccc1Cl 1458257488 XMRIZYPOJLZSNM-AWEZNQCLSA-N 303.837 4.546 30 20 DJED Cc1cc(N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)ncc1C#N 1458442836 YKBVITRYWSUUSO-WMLDXEAASA-N 311.816 4.663 30 20 DJED N#Cc1ccc(F)c(CSc2nc3ccc(F)cc3s2)c1 1459250188 ACDDLDJOAXPQKF-UHFFFAOYSA-N 318.373 4.738 30 20 DJED C[C@H]1CCC[C@@H](CNc2c(C#N)cnc3c(Cl)cccc23)C1 1472669345 JGODUGMEFPKJHB-QWHCGFSZSA-N 313.832 4.998 30 20 DJED CCc1cccc2cc(CN(CCC#N)Cc3ccco3)oc12 1474402729 JPYCKBBUZARXOE-UHFFFAOYSA-N 308.381 4.504 30 20 DJED CC(C)c1ccc2occ(C(=O)Nc3cccc(CC#N)c3)c2c1 1545047382 JGOGHCLXGOVNFR-UHFFFAOYSA-N 318.376 4.875 30 20 DJED CCC[C@@H](CCc1ccccc1)Nc1cc(C#N)ccc1OC 1560744487 NGXAPIVCWQSBLL-SFHVURJKSA-N 308.425 4.780 30 20 DJED C[C@H]1CCc2sc(NC(=O)CCC3(C)CC3)c(C#N)c2[C@H]1C 1595892377 QGDXMQQNWAXFHZ-RYUDHWBXSA-N 316.470 4.824 30 20 DJED CCC[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 1629720029 RWXLMRRTCJEBHJ-GTAWCEEGSA-N 324.468 4.501 30 20 DJED COc1ccc(CN(Cc2ccc(C#N)cc2)CC(C)C)cc1C 1653241496 BJJBQMCURKIZDL-UHFFFAOYSA-N 322.452 4.534 30 20 DJED N#Cc1c(F)cccc1CN1CCC[C@@H]1c1ccccc1Cl 1659037062 ANDJGGWLDPZLIX-GOSISDBHSA-N 314.791 4.688 30 20 DJED CCC(C)(C)c1ccc(N[C@H](C)CC2(C#N)CCOCC2)cc1 1659668843 AEBLLCYSNBQQSW-MRXNPFEDSA-N 314.473 4.885 30 20 DJED CC(C)c1ccccc1C=NNc1ccc(Cl)c(C(=O)O)c1 1776034173 QRQFYFGQZGQFIH-UHFFFAOYSA-N 316.788 4.608 30 20 DJED C[C@@H](c1cc2ccccc2o1)N(C)Cc1ccc(C#N)cc1F 44089967 RPECLSXZDMRONS-ZDUSSCGKSA-N 308.356 4.637 30 20 DJED CCCN(C(=O)c1cccc(C#N)c1)c1cccc2ccccc12 63951616 GIPYCKZRRMNCLP-UHFFFAOYSA-N 314.388 4.768 30 20 DJED CCCCN(CC)C(=O)Nc1ccccc1SC[C@H](C)C#N 108532666 ZQRUICUGMUJZOP-CQSZACIVSA-N 319.474 4.592 30 20 DJED C=C(C)[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(F)c(F)c1 186446850 CCOVTDILZGZXRV-BFUOFWGJSA-N 312.363 4.804 30 20 DJED N#CCCSc1ccccc1NC(=O)c1csc(Cl)c1 187908403 ALBYGCNTYMBDSS-UHFFFAOYSA-N 322.842 4.660 30 20 DJED N#CCC[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 301812616 YNKNYHJHZDLJNP-CQSZACIVSA-N 315.760 4.705 30 20 DJED O/C(Cc1ccc2n[nH]cc2c1)=N/[C@@H]1CCCCC12CCCC2 329574343 ARFHCHSOGFKRBB-QGZVFWFLSA-N 311.429 4.565 30 20 DJED C[C@H](CCCC(F)(F)F)N[C@H]1CCCc2cc(C#N)ccc21 426065070 XKFMNBUEFMTJMH-WBMJQRKESA-N 310.363 4.646 30 20 DJED Cc1c(C#N)c(SCCCCC(C)(C)C#N)nc2c1CCC2 436131202 YFPWQVWAXWDQKB-UHFFFAOYSA-N 313.470 4.563 30 20 DJED C[C@H](Sc1ccc(Br)cn1)c1cccc(C#N)c1 442918134 ISKOPWHYJMFBHM-JTQLQIEISA-N 319.227 4.569 30 20 DJED C=CCC[C@H](N[C@H](C)c1cn[nH]c1)c1ccc(C(F)(F)F)cc1 453182841 XTLTWFXHQDUVIS-WBMJQRKESA-N 323.362 4.787 30 20 DJED N#C[C@H]1CCC[C@@H](NCc2ccc(OC3CCCCC3)cc2)C1 463293734 MOTZJKXCNHFICA-ZWKOTPCHSA-N 312.457 4.570 30 20 DJED CC(C)[C@@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 463412121 GSYFQXQKOPXJEJ-LJQANCHMSA-N 320.436 4.866 30 20 DJED CC(C)c1ccc([C@H](C)CC(=O)N[C@@](C)(C#N)C(C)(C)C)cc1 464158799 PUFNBRNPUCKLJT-QRWLVFNGSA-N 314.473 4.748 30 20 DJED N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H]1c1ccsc1 467732731 IMOLGQNSTGGDIS-CQSZACIVSA-N 322.355 4.980 30 20 DJED C=CCOCCCSCc1c(Cl)ccc2cccnc12 479602652 XZUULMBGABBMTP-UHFFFAOYSA-N 307.846 4.714 30 20 DJED C=CCCCC(=O)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 479827781 KHEDATPZSZXKSS-INIZCTEOSA-N 323.436 4.896 30 20 DJED C=CCCCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 480552381 KFRLXYKUUSRPAT-UHFFFAOYSA-N 306.365 4.790 30 20 DJED C=CCN(CCc1ccco1)C(=O)c1oc2c(C)cccc2c1C 490263291 SPAITGZXSUOJPQ-UHFFFAOYSA-N 323.392 4.514 30 20 DJED Cc1cc(N[C@@H](C)c2ccc(C(C)(C)C)cc2)nn1CCC#N 504382914 XWFQNGXALOFNIG-HNNXBMFYSA-N 310.445 4.576 30 20 DJED C=C(C)COc1cccc(NC(=O)c2sccc2Cl)c1 511507453 UTELITIUOIVYED-UHFFFAOYSA-N 307.802 4.609 30 20 DJED Cc1ccc([C@H](Cc2ccccc2)NCCCCC#N)cc1C 532216717 XOZDWNUXQIBGKM-NRFANRHFSA-N 306.453 4.871 30 20 DJED CC(C)(C#N)CCCCN1C[C@@H]2CCCCN2c2ccccc21 550422001 BBVDSPHMLWJIHK-KRWDZBQOSA-N 311.473 4.586 30 20 DJED CC1(C)CC[C@H](NC2(c3cccc(C#N)c3)CC2)c2ccccc21 560261534 ZMXXMDIIYSGPCP-FQEVSTJZSA-N 316.448 4.950 30 20 DJED N#Cc1ccnc(N2CCC[C@@H]2c2ccc(Cl)cc2)c1Cl 561140905 KAZYNONHUYCVGK-CQSZACIVSA-N 318.207 4.602 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)C[C@H](C)CC(C)(C)C 603872540 ZXKSUPPKKXPCBY-INIZCTEOSA-N 314.473 4.759 30 20 DJED Cc1ccc(C)c(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c1 609414835 NFWWTQDNCBGKDA-IBGZPJMESA-N 320.436 4.596 30 20 DJED C[C@@H](NC1CC(c2cccc(Cl)c2)C1)c1cccc(C#N)c1 611438705 NUOSAHZVAQOOSK-UYCDIGJJSA-N 310.828 4.808 30 20 DJED O=C(/C=C/c1cccnc1Cl)c1ccc2c3c(cccc13)CC2 728699189 RDESPMVSPNUTQJ-PKNBQFBNSA-N 319.791 4.883 30 20 DJED C=CCCC(CC)=NNc1nc(-c2ccc(Cl)cc2)no1 732925871 UNTNADJFADFZOG-UHFFFAOYSA-N 304.781 4.534 30 20 DJED C[C@H](NN=C(CC1CCCCC1)c1ncccn1)c1ccccc1 733901720 TZEXEODCTXZMTH-INIZCTEOSA-N 322.456 4.502 30 20 DJED CC1(C)Cc2cccc(/C=C\C(=O)c3ccc(F)cc3F)c2O1 737445038 WXAVUZNDSHGPSJ-TWGQIWQCSA-N 314.331 4.574 30 20 DJED CC(=NNc1cc(Cl)ccc1Cl)c1cnn(C(C)C)c1 751895820 UWLDXLADKNGQHW-UHFFFAOYSA-N 311.216 4.607 30 20 DJED C#CC[C@@H](NCc1ccc(-c2ccc(F)cc2)o1)c1ccccc1 756994992 AXUUDDQHQGTWNW-HXUWFJFHSA-N 319.379 4.940 30 20 DJED Fc1ccc(NN=CC2CCC(C(F)(F)F)CC2)c(F)c1 767352144 OSRMZQDOKBRPBR-UHFFFAOYSA-N 306.278 4.731 30 20 DJED Cc1ccc2c(Cl)c(C(=O)OCC(C)(C)C#N)sc2c1 781476414 IGTAAPAPHIQBDT-UHFFFAOYSA-N 307.802 4.570 30 20 DJED CC(C)c1ccc([C@H](C)NN=Cc2scnc2C2CC2)cc1 782206697 QPNRKKRXKCXSNZ-ZDUSSCGKSA-N 313.470 4.829 30 20 DJED Clc1ccc(C2CC(=NNc3ccc(Cl)nc3)C2)cc1 783848631 IEVXLPRWKIYGPQ-UHFFFAOYSA-N 306.196 4.734 30 20 DJED CCCCCCCCCC(=O)N1CCCCC[C@@H]1c1ncon1 787264028 YCRZBPQLFNCMRN-MRXNPFEDSA-N 321.465 4.654 30 20 DJED Cc1ccc2nc(/C=C\C(=O)c3oc4ccccc4c3C)cn2c1 789129847 JFMFPUHUSKMYKT-HJWRWDBZSA-N 316.360 4.593 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1ccsc1Cl 790216187 OONPTKKGEOYZEM-WAYWQWQTSA-N 308.834 4.692 30 20 DJED CC(C)n1nccc1/C=C/C(=O)c1ccc(OC(C)(C)C)cc1 794944376 GDTMVROYRRSOQN-DHZHZOJOSA-N 312.413 4.537 30 20 DJED Cc1cc(C(=O)/C=C\c2ccc(C(F)(F)F)s2)oc1C 799898291 XJIXCMKAECYRRG-HYXAFXHYSA-N 300.301 4.873 30 20 DJED CC[C@H](C#N)Oc1cccc(CN[C@@H]2C[C@@H](C)c3ccccc32)c1 808707560 SDWKKRNWXZYZQR-QLVMHMETSA-N 320.436 4.706 30 20 DJED O=C(/C=C/c1cscc1C(F)(F)F)c1ccc(Cl)nc1 811693976 REHZIOBDYWFYOY-HNQUOIGGSA-N 317.719 4.711 30 20 DJED C[C@@H]1CCCC[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 819947024 SGRWUGBTQQKELZ-BMFZPTHFSA-N 324.449 4.813 30 20 DJED COc1ccccc1CON=Cc1cccc(Cl)c1Cl 836705277 MISUISFQRPGBJU-UHFFFAOYSA-N 310.180 4.553 30 20 DJED C[C@H](N[C@H](C)CC(C)(C)C#N)c1nc(-c2ccccc2)cs1 925377632 QUNIHKCSWYUXCY-KGLIPLIRSA-N 313.470 4.789 30 20 DJED CC[C@H](OC(=O)c1cc(C#N)ccc1F)c1cccc(Cl)c1 1127817627 XYYUKQBHAYGQAB-INIZCTEOSA-N 317.747 4.659 30 20 DJED Cc1c(Cl)cnc(N(C)C[C@H](C)C2CCCCC2)c1C#N 1163889100 AGNYEORGUOWLFW-LBPRGKRZSA-N 305.853 4.568 30 20 DJED C=C(Cl)CN[C@H](Cc1ccc(Cl)cc1)c1ccccc1 1168614105 STVDURJPDPQBLV-QGZVFWFLSA-N 306.236 4.966 30 20 DJED N#Cc1ccccc1N(C(=O)c1sccc1C1CC1)C1CCC1 1338043231 UWWVCLITCPFQCG-UHFFFAOYSA-N 322.433 4.696 30 20 DJED C[C@@H]1C[C@@H](OC(=O)c2cccc(SCC#N)c2)CC(C)(C)C1 1438065932 PPGMJVYTRCHBHW-UKRRQHHQSA-N 317.454 4.674 30 20 DJED C[C@H](Nc1nc(C#N)c(Cl)s1)c1ccc(Cl)c(F)c1 1472733741 MCRJYLQWPOUHHK-LURJTMIESA-N 316.188 4.634 30 20 DJED CC[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)C1CCCCC1 1476275346 CZIYMFYIAJXMIM-OAHLLOKOSA-N 319.836 4.692 30 20 DJED CCN(C(=O)c1ccc(Cl)c2occc12)c1ccc(C#N)cc1 1532301944 BZXILCGFLMOOQA-UHFFFAOYSA-N 324.767 4.625 30 20 DJED CC(C)[C@@H](C)C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1543197291 VTKRYALMHOZLKL-CQSZACIVSA-N 324.449 4.940 30 20 DJED CCN(Cc1cccc(C#N)c1F)c1ccc2ccccc2c1 1559607995 DDKSJDTZXFJRHA-UHFFFAOYSA-N 304.368 4.877 30 20 DJED Cc1cc(N[C@H](C)CC(C)(C)C#N)cnc1N1CCCC[C@H]1C 1560703506 HXXYBUYDNCEHPD-HZPDHXFCSA-N 314.477 4.509 30 20 DJED Cc1ccc(C[C@H](C)Nc2nc(C(C)(C)C)ccc2C#N)c(C)c1 1611975045 AYWRMQCFBBIQEW-INIZCTEOSA-N 321.468 4.911 30 20 DJED CCCC[C@H](CC)CCCN(C)C(=O)Cc1cccc(C#N)c1 1618244070 OMPSBHKEKFQAGU-KRWDZBQOSA-N 314.473 4.556 30 20 DJED C[C@@H](NCc1cnsc1)c1ccc(-c2cccc(C#N)c2)cc1 1620898140 JBWDRAKHERCAKV-CQSZACIVSA-N 319.433 4.533 30 20 DJED N#Cc1ccc(CN[C@H]2CCCC[C@@H](c3ccccc3)C2)cc1F 1621393113 NEIJXJSSYGZJMQ-QUCCMNQESA-N 322.427 4.903 30 20 DJED Cc1c(Cl)cnc(NCc2ccc(C3CCC3)cc2)c1C#N 1650966740 AQXVMYYNYJOBRC-UHFFFAOYSA-N 311.816 4.795 30 20 DJED N#Cc1cc(CN(Cc2ccsc2)c2ccccc2)ccc1F 1652881056 SKLWHMZJENDUNO-UHFFFAOYSA-N 322.408 4.966 30 20 DJED CCc1ccc([C@H]2C[C@@H](C)CCN2Cc2cccc(C#N)c2)o1 1653465821 NCKHXBZRUFERDG-HNAYVOBHSA-N 308.425 4.687 30 20 DJED CC(C)CCN(CCC#N)Cc1nc(C2CCCCC2)cs1 1657467508 ZFWXTZYTMSYUQQ-UHFFFAOYSA-N 319.518 4.953 30 20 DJED C[C@@H](CCC#N)CNc1nc2ccccc2n1C1CCCCC1 1659148655 QIMXZZDNSUBDTO-HNNXBMFYSA-N 310.445 4.893 30 20 DJED Cc1ccccc1[C@H](NC(=O)Nc1cccc(C#N)c1)C(C)(C)C 1666934628 POBSLOGXGZYPBP-SFHVURJKSA-N 321.424 4.776 30 20 DJED Cc1cccc(-n2ccnc2SCc2cccc(C#N)c2)c1C 10348120 ZRKYDWJBPPBSBI-UHFFFAOYSA-N 319.433 4.653 30 20 DJED CCCc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)sc1C 78736016 XTUWIMZVYUBMNX-CYBMUJFWSA-N 324.405 4.640 30 20 DJED COc1ccc(C)cc1[C@@H](C)N[C@@H](CCC#N)c1ccccc1 90665685 UROXCASRTJTNIY-APWZRJJASA-N 308.425 4.699 30 20 DJED COc1ccc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)cc1F 90665904 KICQEVSEISQSDN-KDOFPFPSSA-N 312.388 4.530 30 20 DJED CCN(C(=O)Nc1ccc(C)c(C)c1)[C@H](C)c1ccc(C#N)cc1 118787274 ANUQJDVWYUXOQL-MRXNPFEDSA-N 321.424 4.790 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc(-c2ncco2)cc1 132577178 YUQFPYDQTDBGJB-UHFFFAOYSA-N 313.401 4.552 30 20 DJED Cc1c([C@@H](C)NCc2ccc(C#N)cc2F)oc2ccccc12 177857289 ZAURLZWIFSROLP-CYBMUJFWSA-N 308.356 4.603 30 20 DJED O=C(/C=C/c1csc(-c2ccc(F)cc2)n1)c1ccsc1 194614887 QHCZEWILCPAZKC-AATRIKPKSA-N 315.394 4.907 30 20 DJED N#Cc1ccc(N[C@H]2CCc3cc(F)ccc32)cc1C(F)(F)F 303417784 SYNDUMHAMZQYRG-INIZCTEOSA-N 320.289 4.816 30 20 DJED CC[C@@H]1CCCC[C@@H]1/N=C(/O)C1CCC(/N=C(/O)C2CC2)CC1 329943664 DRCIWVQVAXSMFO-MFNRNEDNSA-N 320.477 4.837 30 20 DJED CCc1cccc2c(C3CCN([C@H](C)CCC#N)CC3)c[nH]c12 411190773 VDELFUNNKKYCIN-OAHLLOKOSA-N 309.457 4.602 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NCc1cc(F)cc(Cl)c1 418137619 BYNLTBREHIEXSU-GOSISDBHSA-N 314.791 4.518 30 20 DJED CO[C@@H](c1ccccc1Cl)[C@H](C)NCCCCC(C)(C)C#N 444674467 KWUUCMXEAMTZQJ-WMLDXEAASA-N 322.880 4.726 30 20 DJED CC[C@@H](N[C@@H](c1ccc(OC)cc1)C1CC1)c1ccc(C#N)cc1 447539876 HZNDKEWQDAROOZ-NHCUHLMSSA-N 320.436 4.759 30 20 DJED CC[C@@H](CSc1ccccc1)NC1CCC(C)(C#N)CC1 449197017 YDIYOXICRGDGRT-HJOIGYKYSA-N 302.487 4.619 30 20 DJED COc1cccc([C@H]2C[C@H](N(C)CCCCC(C)(C)C#N)C2)c1 452010386 BCGKQEPOSLEDFE-IYARVYRRSA-N 314.473 4.593 30 20 DJED C=CC[C@@H](CC)NC(=O)c1ccccc1SCC=C(C)C 466531515 QPLWHQLNFBLRNA-OAHLLOKOSA-N 303.471 4.829 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)c2coc3cc(F)ccc23)cc1 474781189 VVPHDFAGPWTBHU-UHFFFAOYSA-N 322.339 4.625 30 20 DJED C=CCC1(C(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)CCC1 480572513 DKNOZTYCZSYBIP-GOSISDBHSA-N 313.416 4.624 30 20 DJED C=CCC[C@@H](C(=O)Nc1ccc(F)cc1F)c1ccccc1 487655486 OCNJULQOLPXTFS-OAHLLOKOSA-N 301.336 4.653 30 20 DJED C=C(C)CCc1noc([C@@H](C)CSCc2ccccc2)n1 508596296 RUQDUZSIKACFAS-AWEZNQCLSA-N 302.443 4.615 30 20 DJED CCCCOc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 516120984 XFYPMUKPQARDCD-NRFANRHFSA-N 320.436 4.514 30 20 DJED CC(C)c1ccc2occ(C(=O)Nc3sccc3C#N)c2c1 520276148 FGNLGZXXDIOIGI-UHFFFAOYSA-N 310.378 4.742 30 20 DJED C=CC[C@H](C)NC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl 522639567 RJWYVSCWDUKBOY-UWVGGRQHSA-N 318.269 4.555 30 20 DJED COc1ccccc1-c1ccc([C@H](C)N(C)CC2(C#N)CC2)cc1 538352504 BXZWQOXHRJHIDG-INIZCTEOSA-N 320.436 4.659 30 20 DJED C[C@H](N[C@@H]1CCCc2c(Cl)cccc21)c1ccc(C#N)cc1 543602137 GRCFCZKRSJWTIA-ORAYPTAESA-N 310.828 4.940 30 20 DJED Cc1ccnc(N[C@@H](c2ccccc2)c2cccc(F)c2)c1C#N 544144090 VPOJYFZBAKZLFM-IBGZPJMESA-N 317.367 4.602 30 20 DJED C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(CC#N)cc1Cl 562557597 PSKVBORPJGYGTC-OCCSQVGLSA-N 304.821 4.561 30 20 DJED CC(C)c1ccc2c(c1)[C@@H](NC(=O)CCCCCC#N)CCC2 588162971 ZKTNQTQOYFFSIF-IBGZPJMESA-N 312.457 4.778 30 20 DJED CC1(C)CCc2ccccc2[C@@H](NC(=O)CCCCCC#N)C1 588166050 MHBVVKQTBZFTJT-SFHVURJKSA-N 312.457 4.680 30 20 DJED Cc1cc(C)c(C#N)c(N[C@H](C)c2cccc(OC(C)C)c2)n1 603859943 LTYPVRWKHGGYNJ-OAHLLOKOSA-N 309.413 4.530 30 20 DJED CCc1ccc([C@H](C)C(=O)Nc2ccc(Cl)c(C#N)c2)cc1 609019859 SIBHAAOMKIVGJS-LBPRGKRZSA-N 312.800 4.516 30 20 DJED N#Cc1ccc(Oc2cccc(NC(=O)C[C@H]3C=CCC3)c2)cc1 609176637 QLXMKBCVZYHPEE-HNNXBMFYSA-N 318.376 4.645 30 20 DJED N#Cc1ccc(-c2nc(-c3c(Cl)cccc3Cl)no2)cc1 609474193 KPTVQFDASWEYRB-UHFFFAOYSA-N 316.147 4.582 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NCc1cc2c(s1)CCCC2 611392423 RAWPHEXUPTWCGM-LJQANCHMSA-N 322.477 4.666 30 20 DJED CCC[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)c1ccccn1 613420706 COBWXWRMLLHAHM-MRXNPFEDSA-N 308.429 4.599 30 20 DJED COc1cccc(NN=C(C)c2ccc(OC)c3ccccc23)c1 725854870 FOVLHFSLBIIGSG-UHFFFAOYSA-N 320.392 4.693 30 20 DJED Cc1ccc2c(c1)C/C(=C/c1cnc(-c3ccccc3)s1)C2=O 727266818 GRVLFMZXURRVGP-WJDWOHSUSA-N 317.413 4.941 30 20 DJED C#Cc1cccc(N(C(=O)CSc2ccc(C)cc2)C(C)C)c1 728248449 TTWZABRZMQVJQU-UHFFFAOYSA-N 323.461 4.510 30 20 DJED C=CCOc1cccc(NC(=O)N[C@](C)(CC)c2ccccc2)c1 730898774 CKLSQBITBDIAMS-HXUWFJFHSA-N 324.424 4.698 30 20 DJED C=C(C)CNC(=S)Nc1cccc(Sc2ccccc2)c1 730950800 DZVWPZBBANMTGL-UHFFFAOYSA-N 314.479 4.700 30 20 DJED N#Cc1ccccc1COC(=O)C1CCC(c2ccccc2)CC1 744087599 CJBJLKHFWSEGMY-UHFFFAOYSA-N 319.404 4.575 30 20 DJED COc1c(Cl)cc(Cl)cc1/C=C\C(=O)c1ccsc1 749104907 PAHXHXBSLPZYOH-IHWYPQMZSA-N 313.205 4.960 30 20 DJED COc1ccc(C(C)=NNc2cccc(C#N)c2)c2ccccc12 767364180 XDDAAZACQKROJH-UHFFFAOYSA-N 315.376 4.556 30 20 DJED N#Cc1ccccc1Oc1ccc(NC(=O)C2(F)CCCC2)cc1 772365112 ZKHLAZDMIMERPS-UHFFFAOYSA-N 324.355 4.571 30 20 DJED Cc1ccc(CCC=NNc2ccnc3cc(Cl)ccc23)cn1 774308591 GRUBEYSWYVIEDM-UHFFFAOYSA-N 324.815 4.622 30 20 DJED CC(C)(C)c1cnc([C@H](C#N)C(=O)CC2CCCCC2)s1 797570758 JYPRDQGVABCKJC-CYBMUJFWSA-N 304.459 4.587 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)C1(F)CCCCC1 811895977 FRNCXHMNOADIOX-CYBMUJFWSA-N 320.433 4.549 30 20 DJED C[C@@H](C#N)Oc1ccc(CN[C@H]2CCCCC23CCCC3)cc1 812781071 ZNALHCLEMCEBRO-LPHOPBHVSA-N 312.457 4.570 30 20 DJED Cc1ccccc1[C@@H](NCc1ccc(C#N)cc1)C1CCCC1 813854750 DXHJCRVOCVYPLC-NRFANRHFSA-N 304.437 4.888 30 20 DJED C=C(Cl)COc1ccc([C@H](C)NCc2occc2C)cc1 813882652 GMFICZYQTTXXIK-AWEZNQCLSA-N 305.805 4.570 30 20 DJED C[C@H](Nc1ccc(NC(=O)C#CC(C)(C)C)cc1)c1ccccc1 837382019 BNELDANBLVXCMS-INIZCTEOSA-N 320.436 4.848 30 20 DJED CCCCCC[C@@](C)(CCC)C(=O)N1CCC[C@@H](CC#N)C1 855254319 IMTMNAGGPOWWHN-PKOBYXMFSA-N 306.494 4.915 30 20 DJED CCCCCCCSc1nnc(C)n1Cc1ccccc1 915791522 WHTYCHKGCMKGNY-UHFFFAOYSA-N 303.475 4.697 30 20 DJED O=C(/C=C\c1cc(Cl)ccc1OC(F)F)c1cccs1 915981529 RMQSZRJGHHRNPP-HYXAFXHYSA-N 314.740 4.899 30 20 DJED C=CCN(C(=O)Nc1ccccc1SC(F)(F)F)C(C)C 916712963 JLYKRTJOJFXFJU-UHFFFAOYSA-N 318.364 4.727 30 20 DJED C=CCOc1ccc(CN[C@@H]2C[C@H](C)c3c(C)ccc(O)c32)cc1 1117112214 HJEAFKIDENMEIQ-MAUKXSAKSA-N 323.436 4.604 30 20 DJED C[C@H]1CC[C@@H](OC(=O)c2ccccc2-c2ccccc2C#N)C1 1127767857 KYWPIYLKVRPCPV-GOEBONIOSA-N 305.377 4.571 30 20 DJED CCc1ccc(C2=CCN(Cc3ccc(C#N)c(C)c3)CC2)cc1 1180769162 RYOMFMPMTCNHDT-UHFFFAOYSA-N 316.448 4.718 30 20 DJED Cc1nc(N[C@@H]2CCC[C@H](C(C)C)CC2)c(Cl)cc1C#N 1186195004 IUZQPZDNYAUDCS-DZGCQCFKSA-N 305.853 4.932 30 20 DJED Cc1ccc([C@H]2CCCCCN2Cc2cccc(C#N)c2F)o1 1191176710 ZEPIBRLUBVQEEH-QGZVFWFLSA-N 312.388 4.716 30 20 DJED CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1ccc(CC#N)cc1 1191268306 KKVJFWHSYAUWOK-NRFANRHFSA-N 306.453 4.514 30 20 DJED CC(C)[C@@H]1CCC[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1 1215837688 CEYIQFAONWJHAB-KGLIPLIRSA-N 319.836 4.548 30 20 DJED C=CCC1(NCc2ccc(-c3ccccc3)s2)CCOCC1 1261600781 QHYCXFMHFWOIRW-UHFFFAOYSA-N 313.466 4.630 30 20 DJED C[C@H](OC(=O)c1ccc(-c2ccccc2)o1)c1ccc(C#N)cc1 1265620336 HAXTUIXAWYSSKE-AWEZNQCLSA-N 317.344 4.736 30 20 DJED C[C@@H]1CCC[C@H](Nc2c(C#N)cnc3c(Cl)cccc23)[C@@H]1C 1306915800 NPLARKGFDMEDDH-HSMVNMDESA-N 313.832 4.996 30 20 DJED N#Cc1c(F)cccc1N1CC2(CCCC2)c2c(F)cccc21 1306954638 QXXWHMAHVDRIQX-UHFFFAOYSA-N 310.347 4.800 30 20 DJED Cc1ccccc1[C@H](C)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 1342739813 AWBAYUUSVCBLKR-DZGCQCFKSA-N 312.438 4.555 30 20 DJED CC(C)[C@H](CC(=O)OCc1ccc(CC#N)cc1)c1ccccc1 1458304771 DKGRPHIIBBKMMA-FQEVSTJZSA-N 321.420 4.626 30 20 DJED N#CC1(CCN(CCc2cccc(F)c2)C2CC2)CCCCC1 1459510424 QPVSWPIPXRRJSC-UHFFFAOYSA-N 314.448 4.697 30 20 DJED CC1=C(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CCC1 1518356970 KBJRXWKHXKLOOX-UHFFFAOYSA-N 318.376 4.789 30 20 DJED CC[C@@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 1530388358 MYNRBQAPGGXNQX-CHWSQXEVSA-N 316.470 4.653 30 20 DJED CC[C@H](C#N)N(CC)C(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1 1538757698 SVEKDBUZRUZAGL-SJORKVTESA-N 320.864 4.620 30 20 DJED N#Cc1cccc(COc2c(Cl)cccc2Br)c1 1559456150 OWIVDFOKVOPPOG-UHFFFAOYSA-N 322.589 4.553 30 20 DJED N#Cc1cc2c(nc1OCCC1CCCCCC1)CCCCC2 1614861664 RYSBPZQVHIORRZ-UHFFFAOYSA-N 312.457 4.961 30 20 DJED C[C@H]1[C@H](Cc2ccccc2)CCN1[C@H](C)c1ccc(C#N)cc1 1615826732 UPFFKZRBHYKRLS-WWMYMODYSA-N 304.437 4.572 30 20 DJED Cc1cc2occ(C(=O)Nc3ccc(Cl)cc3C#N)c2cc1C 1617556711 KQGJRGXOEAMCNP-UHFFFAOYSA-N 324.767 4.827 30 20 DJED CC(C)(C)c1ccc(C#N)c(NCc2ccc(Cl)s2)n1 1642021417 FYGLMLHYDUYVQJ-UHFFFAOYSA-N 305.834 4.578 30 20 DJED Cc1nc(N2CCCC[C@@H]2CCCc2ccccc2)ccc1C#N 1650896474 WNBYHLJZTMBYKG-HXUWFJFHSA-N 319.452 4.644 30 20 DJED Cc1ccc(C)c([C@@H]2CCCN2Cc2cccc(F)c2C#N)c1 1651849033 UXEBAPMMYZNBFZ-FQEVSTJZSA-N 308.400 4.651 30 20 DJED CC[C@@H](c1ccccc1)N(CCOc1ccccc1C#N)C(C)C 1655158111 ZNFQSZSWSSMZNT-FQEVSTJZSA-N 322.452 4.799 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N(C)Cc1cccc2ccccc12 1656993191 YYTQWJYJMMJKFZ-INIZCTEOSA-N 300.405 4.904 30 20 DJED Cc1ccc(C[C@H](C#N)Sc2nc3ccccc3s2)cc1 7338898 OLNIWPTVYLUJIP-CQSZACIVSA-N 310.447 4.832 30 20 DJED COc1ccc(C)cc1[C@@H](C)N[C@H](CCC#N)c1ccccc1 90665687 UROXCASRTJTNIY-VQIMIIECSA-N 308.425 4.699 30 20 DJED N#Cc1cccnc1N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 91982571 RMWULQUVTYCOBJ-OAHLLOKOSA-N 317.314 4.535 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc3cc(OC)ccc3c2)cc1 97475330 ALLZOQJMLOQFSN-QCDXTXTGSA-N 318.372 4.753 30 20 DJED N#CCC[C@H](NC(=O)c1csc2ccccc12)c1ccccc1 153611117 PLQKBXJVPPKZHJ-KRWDZBQOSA-N 320.417 4.676 30 20 DJED N#Cc1cc(CNC(c2ccccc2)c2ccccc2)ccc1F 176958900 BSAMDCBVLDYZLI-UHFFFAOYSA-N 316.379 4.577 30 20 DJED COc1cc(Cl)c(CNc2ccc(CC#N)cc2)cc1Cl 185151618 UGXWFTPHXFLLAD-UHFFFAOYSA-N 321.207 4.680 30 20 DJED CCCOc1cccc(N[C@@H](C)c2ccc(OCC#N)cc2)c1 192990501 GVYGFFJRHZAQAY-HNNXBMFYSA-N 310.397 4.551 30 20 DJED CN(C)c1ccc(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)cc1 207492202 MIYWJBLLHHXSFR-XGICHPGQSA-N 319.326 4.668 30 20 DJED CC(C)(C)c1nnc(C/N=C(/O)CC2CCCCCC2)s1 329803639 LJYPSNAFNQFSQD-UHFFFAOYSA-N 309.479 4.653 30 20 DJED CC[C@@H](N[C@@H](C)c1cc(C)ccc1OC)c1ccc(C#N)cc1 414155437 NMPJQLJIEZPKDV-HNAYVOBHSA-N 308.425 4.677 30 20 DJED Cc1cc(CSCc2ccc(F)cc2C#N)c2ccccc2n1 437273402 ZWMPSKWAQVHPKV-UHFFFAOYSA-N 322.408 4.987 30 20 DJED C[C@@H](CCC1CCCCC1)NC(=O)[C@H](C)c1cccc(C#N)c1 462073751 LYRYDGOJDBYYGM-JKSUJKDBSA-N 312.457 4.527 30 20 DJED CC[C@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)CCS1 464787078 WQNYNRYAUDFUGZ-IBGZPJMESA-N 322.477 4.553 30 20 DJED C=CC[C@H](CC)NC(=O)c1occc1CSc1ccccc1 466533353 WHGZREYAFYXPRN-HNNXBMFYSA-N 315.438 4.656 30 20 DJED C[C@@H](N[C@H](C)C1CCC(C(F)(F)F)CC1)c1ccc(C#N)cc1 474481109 UFBSLQNGSJGZOJ-QJRTVWDNSA-N 324.390 4.966 30 20 DJED CC[C@H](C)n1ncc(N[C@@H]2CCCCc3cc(C#N)ccc32)c1C 481997862 AZUWXLAGXRGPAD-IFXJQAMLSA-N 322.456 4.914 30 20 DJED COCc1cccc(N[C@H]2CCCCc3cc(C#N)ccc32)c1 482000169 RSLYAYUHZVWMET-FQEVSTJZSA-N 306.409 4.584 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc(Cl)cc1F)c1ccccc1 487648659 BPJBMGNLDKKEIE-CQSZACIVSA-N 303.764 4.778 30 20 DJED Cc1cc(CN[C@H](C)c2ccc(C(F)(F)F)cc2)ccc1C#N 488157651 MXTJBMJSJSIJKE-CYBMUJFWSA-N 318.342 4.736 30 20 DJED C=CC[C@H](C(=O)Nc1sc(CCC)nc1C)c1ccccc1 490223130 NBMHGODHTSRXKH-HNNXBMFYSA-N 314.454 4.702 30 20 DJED CCCCc1nc(CSCc2ccc(C#N)cc2F)cs1 498131392 HIJDTRBTQPHGEX-UHFFFAOYSA-N 320.458 4.930 30 20 DJED C=CCCC1(C(=O)Nc2cc(-c3cncc(F)c3)ccc2C)CC1 512733960 OKZRMDYTLZDMJS-UHFFFAOYSA-N 324.399 4.881 30 20 DJED N#Cc1ccc(NC(=O)c2ccccc2OC2CCCCC2)cc1 525005105 ORTVVOBVJFGPIR-UHFFFAOYSA-N 320.392 4.522 30 20 DJED CC(C)(C)C[C@@H](NCc1ccc(C#N)cc1F)c1ccccc1 533448927 WQVLTTDIJIGWFV-LJQANCHMSA-N 310.416 4.964 30 20 DJED C=CCCO[C@H](C)c1nc(-c2ccc(Cl)c(Cl)c2)no1 546236813 DAFYXRLFSWSDIB-SECBINFHSA-N 313.184 4.697 30 20 DJED C=CCC[C@@H](NCc1cc(F)ccc1SC)c1ccco1 556870825 IXQUWGXPOURODA-OAHLLOKOSA-N 305.418 4.938 30 20 DJED C=CCN(CC=C)CCC(C#N)(c1ccccc1)c1ccccc1 560692861 XRNHYNSOEQJEQF-UHFFFAOYSA-N 316.448 4.560 30 20 DJED CC[C@H](CN(CC)C(=O)CCCCCC#N)c1ccccc1 588688904 DVGJPFFZRFWMMG-QGZVFWFLSA-N 300.446 4.503 30 20 DJED CCC(CC)[C@@H](NC(=O)c1ccc(C#N)cc1)c1cccs1 604024868 CPSWAIHXXBLITD-QGZVFWFLSA-N 312.438 4.527 30 20 DJED C=CCCCCCN(C)C(=O)NC[C@@H](CC)c1ccccc1 606965127 FBOMZQPMKSGWNG-QGZVFWFLSA-N 302.462 4.568 30 20 DJED CC[C@@](C)(C#N)NC(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F 609331431 FXKVZVVJDVAUGO-FQEVSTJZSA-N 324.399 4.532 30 20 DJED Cc1ccc(C(=O)/C=C/c2cccc(OCCCC#N)c2)c(C)c1 726741300 DTMYBTZJKXHJOP-PKNBQFBNSA-N 319.404 4.882 30 20 DJED C[C@H](OC(=O)/C=C\c1ccc(Cl)cc1)c1cccc(C#N)c1 727640840 VJBLNLOHBIMCLK-SZNGSJQDSA-N 311.768 4.529 30 20 DJED N#Cc1ccc(N2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 728052640 UJKLSBUOZMHSDA-QGZVFWFLSA-N 316.326 4.919 30 20 DJED C[C@@H]1CCCC1=NNc1ncnc2sc(-c3ccccc3)cc12 729141226 YFKYNYNIIJQDAB-GFCCVEGCSA-N 322.437 4.946 30 20 DJED Cc1ccsc1C(=O)/C=C/c1ccc(C(C)C)c([N+](=O)[O-])c1 733749385 MMULWBRCSWKHLJ-FNORWQNLSA-N 315.394 4.984 30 20 DJED O=C(/C=C\C1=Cc2ccccc2OC1)c1ccc(F)c(Cl)c1 749358509 RTLVLBAYFMAPNU-YVMONPNESA-N 314.743 4.694 30 20 DJED Cc1ccnc(NN=Cc2cc(C(F)(F)F)ccc2Cl)c1 753709833 QWBYIJNLPHQAEK-UHFFFAOYSA-N 313.710 4.508 30 20 DJED O=C1/C(=C\c2cccnc2Cl)CCc2c(Cl)cccc21 758040403 PHYJBRYATFQKDC-KTKRTIGZSA-N 304.176 4.601 30 20 DJED C(=NNCc1cnc2ccccc2c1)c1cccc2ccccc12 764778792 MJLACRVTLRNGFT-UHFFFAOYSA-N 311.388 4.512 30 20 DJED CC[C@@H](CC(=O)OCCCCC(C)(C)C#N)c1ccccc1 768667649 BIOVYEDSLDBGBO-INIZCTEOSA-N 301.430 4.834 30 20 DJED CC[C@@H](C(=O)OCCCCC(C)(C)C#N)c1ccc(F)cc1 768857680 ZIOSKGBEBVEXBY-MRXNPFEDSA-N 305.393 4.583 30 20 DJED C=CCC[C@@H](C(=O)OCc1nc(C)c(C)s1)c1ccccc1 778555549 XGDKCJIFMPTFJM-MRXNPFEDSA-N 315.438 4.553 30 20 DJED C#CCCCCCC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 779877550 OBDZTPJTLAINTQ-UHFFFAOYSA-N 312.413 4.648 30 20 DJED CC(C)Oc1ccc(C(=O)/C=C\c2ccc(F)nc2)cc1Cl 789156609 CPKKJYQWFTWEDK-UTCJRWHESA-N 319.763 4.557 30 20 DJED C=CCC(C)(C)C(=O)O[C@H](C)c1nc2ccccc2n1C(F)F 796463016 JZZXBZVOPMEFQD-LLVKDONJSA-N 322.355 4.638 30 20 DJED COc1cccc(/C=C2\CSc3ccc(Cl)cc3C2=O)c1 797242791 QZOSNUPXGWZBEI-KPKJPENVSA-N 316.809 4.721 30 20 DJED N#CCCCOC(=O)c1ccc(-c2ccc(Cl)cc2)s1 803512477 PWQISCJVOKDPHN-UHFFFAOYSA-N 305.786 4.529 30 20 DJED O=C(/C=C\c1cc(F)ncc1F)c1ccc(-c2ccccc2)cc1 806565570 PAZIZZQUBSIQLX-KHPPLWFESA-N 321.326 4.923 30 20 DJED O=C(/C=C\C1=Cc2ccccc2OC1)c1c(F)cccc1Cl 809158366 ABTQTNUARDDPIC-HJWRWDBZSA-N 314.743 4.694 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)C1(F)CCCCC1 810370511 IAQLMYUTALVXPX-CYBMUJFWSA-N 320.433 4.692 30 20 DJED CCCCCC[C@@H](C)C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842941919 ULDROLJIGIIVJU-OCCSQVGLSA-N 304.459 4.803 30 20 DJED Cc1cc2cc(C(=O)/C=C\c3c(C4CC4)cnn3C)oc2cc1C 849247884 YHOSIKQCBGVKLT-SREVYHEPSA-N 320.392 4.557 30 20 DJED Oc1ccc2ccccc2c1C=Nc1ccc2ncsc2c1 915980140 NWVXIMFENKPTGQ-UHFFFAOYSA-N 304.374 4.906 30 20 DJED CC(=NNc1nccc2sccc12)c1nc2ccccc2s1 915980227 QNFCEMDVYSYSEB-UHFFFAOYSA-N 324.434 4.742 30 20 DJED CN(C)c1ccc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)cc1 916137482 YEWWMYWUIHZCPG-FLIBITNWSA-N 319.326 4.668 30 20 DJED O=C(/C=C/c1ccc2c(c1)CCO2)c1ccc(Cl)c(Cl)c1 917517311 NOGRSOHCASGZIG-ORCRQEGFSA-N 319.187 4.824 30 20 DJED C=CCCOC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 919667976 PWWXINSGCKJQBY-NTCAYCPXSA-N 302.370 4.547 30 20 DJED Cc1ccc(O)c2c1[C@H](C)CC2=NNc1ccc2ccccc2n1 1115821274 LNXZTESTIAJYCZ-CYBMUJFWSA-N 317.392 4.572 30 20 DJED CC[C@@H](CC(C)C)C(=O)N(Cc1ccco1)c1ccccc1C#N 1124894635 HTJIYIIOMDWYLM-INIZCTEOSA-N 324.424 4.757 30 20 DJED Cc1cc(CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)ccc1C#N 1181598161 DIHUHOYDBUWOPR-BDTNDASRSA-N 316.448 4.635 30 20 DJED CC(C)(C)OCc1ccccc1NCc1ccc(C#N)c(F)c1 1183899749 WMZPTPCUPADHGW-UHFFFAOYSA-N 312.388 4.625 30 20 DJED CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNc1snc(Cl)c1C#N 1185116872 MUXKKZBKDZSVGY-WOPDTQHZSA-N 311.882 4.788 30 20 DJED Cc1cccc([C@@H]2CCCN2Cc2ccc(F)c(C#N)c2)c1C 1191145518 OWSNVONGSWADPZ-FQEVSTJZSA-N 308.400 4.651 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1CC[C@](C)(CCc2ccccc2)C1 1191444104 ICWLLXIYYOEAPH-AVRDEDQJSA-N 318.464 4.964 30 20 DJED C[C@@H]1CC(C)(C)N(C(=O)c2cc(C#N)ccc2F)c2ccccc21 1266774263 SRQGZJDPDXMIGN-CYBMUJFWSA-N 322.383 4.630 30 20 DJED Cc1ccc2sc(SCc3ccc(C#N)s3)nc2c1 1307397452 IRGHCFXRNAHCNF-UHFFFAOYSA-N 302.449 4.830 30 20 DJED CC(C)CC[C@H]1CCC[C@@H]1NCc1ccc(C#N)cc1Cl 1307691836 UZZRFQQIWVWEPC-QAPCUYQASA-N 304.865 4.906 30 20 DJED CC(C)c1nnc(-c2ccc(Oc3ccc(CC#N)cc3)cc2)o1 1327795557 HQBSOXAHCYGEBS-UHFFFAOYSA-N 319.364 4.718 30 20 DJED CC(C)(C)c1ccc(NN=Cc2ccc(Cl)cc2Cl)nn1 1328716128 QCHKUVQXFXIADZ-UHFFFAOYSA-N 323.227 4.527 30 20 DJED Cc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)c(C)cc1Cl 1348340320 XOLKHBIJMJKFCZ-UHFFFAOYSA-N 319.191 4.734 30 20 DJED C[C@@H](OC(=O)[C@H]1CC[C@H](C2CCC2)CC1)c1ccc(C#N)cc1 1457192615 OYPGVIQSKCKUCP-NIKGAXFTSA-N 311.425 4.769 30 20 DJED CC[C@@H](C)Oc1cc(C)ccc1CNc1c(C#N)cccc1C#N 1458252927 LOAQVJPSJMZVTG-OAHLLOKOSA-N 319.408 4.528 30 20 DJED C[C@@]1(CCc2ccccc2)CCN(Cc2cccc(C#N)c2F)C1 1459627710 YHOZOHLOGPSSLC-OAQYLSRUSA-N 322.427 4.542 30 20 DJED N#CC[C@H](CC(=O)Nc1ccccc1C(F)F)c1ccccc1 1526168765 RZVRNTRZGOVOPR-CQSZACIVSA-N 314.335 4.650 30 20 DJED CCC[C@@H](CC)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 1533334392 MHQLSZXHBDGKPG-OAHLLOKOSA-N 323.396 4.510 30 20 DJED CCc1ccc([C@@H](C)CC(=O)Nc2cc(C)cc(C#N)c2)cc1 1535893364 UYJNBTMFOVJPKD-HNNXBMFYSA-N 306.409 4.561 30 20 DJED N#CC1(CN[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CCC1 1560890931 UNQKGZHCMKNUCQ-HZPDHXFCSA-N 322.374 4.625 30 20 DJED CC(C)[C@H](CNCc1ccc(C#N)c(Cl)c1)c1ccccc1 1620913344 BXOZCXBSJZBYLL-SFHVURJKSA-N 312.844 4.741 30 20 DJED N#Cc1cc(N[C@H]2CC[C@H]2C2CC2)ccc1Oc1ccccc1 1621275574 JRCJYIVLPHUWOU-OALUTQOASA-N 304.393 4.951 30 20 DJED COC1(CSc2nc(-c3ccccc3)ccc2C#N)CCCC1 1643706405 MMJRGSXYUJNIMZ-UHFFFAOYSA-N 324.449 4.672 30 20 DJED COc1ccc(CSCc2ccc(C#N)cc2F)cc1Cl 1643908529 IIRYJNXVQMEISS-UHFFFAOYSA-N 321.804 4.793 30 20 DJED Cc1ccc([C@@H]2[C@H](C)CCCN2c2cc(C)c(C#N)cn2)cc1 1650798675 OGELWZPTALOZDK-QRWLVFNGSA-N 305.425 4.548 30 20 DJED N#Cc1ccnc(CSc2ccc(-c3ccccc3)cc2)c1 1651768498 QIEMTUAEYKVSRB-UHFFFAOYSA-N 302.402 4.913 30 20 DJED C[C@@H](CCC#N)CN1CCC(c2cccc3ccccc23)CC1 1651820441 OYMNMEMAYVKCBP-KRWDZBQOSA-N 306.453 4.959 30 20 DJED C[C@H](NCc1ccc2ccc(Cl)cc2n1)c1ccc(C#N)cc1 1653584063 GNGNIOGKILKUCQ-ZDUSSCGKSA-N 321.811 4.611 30 20 DJED CN(CC1(C#N)CC1)[C@H](c1ccc(Cl)cc1)C1CCCC1 1654318372 RXUHGOSQIOHXCT-KRWDZBQOSA-N 302.849 4.807 30 20 DJED C[C@H](Nc1c(C#N)cnc2c(Cl)cccc12)c1cccs1 1655377382 MJPXIILYAVVNBD-JTQLQIEISA-N 313.813 4.994 30 20 DJED CC(C)(CC#N)CNCc1cc(Cl)ccc1OC1CCCC1 1656409877 LASXBUXVMBGLKK-UHFFFAOYSA-N 320.864 4.691 30 20 DJED C=C(Cl)CNC(=O)NCC1(C2CCCCC2)CCCCC1 1685967974 ZCVIXIHVMNGALC-UHFFFAOYSA-N 312.885 4.569 30 20 DJED O=C(O)c1ccccc1NN=Cc1cccc2cc(Cl)ccc12 1776032070 LEOAEUABBOBMDY-UHFFFAOYSA-N 324.767 4.637 30 20 DJED CC(C)C[C@H]1CCCC1=NNc1ccc(Cl)c(C(=O)O)c1 1776034321 AAUUOIGYPVUVQQ-LLVKDONJSA-N 308.809 4.652 30 20 DJED N#Cc1ccc(Oc2nc(-c3ccccc3)c3ccccc3n2)cc1 18054823 KJCSMYYWKGVINR-UHFFFAOYSA-N 323.355 4.961 30 20 DJED C=C[C@H](CC(=O)N(CC)[C@@H](CC)c1ccncc1)c1ccccc1 135498144 PHJQTIIJWVQIBZ-XLIONFOSSA-N 322.452 4.741 30 20 DJED CCC1(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CCCC1 153543247 XJNOTXCEJHHOOA-AWEZNQCLSA-N 316.470 4.847 30 20 DJED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(F)c(Cl)c1 174357799 VODUPBGFCVHYLB-NEPJUHHUSA-N 302.780 4.763 30 20 DJED CC(C)(C#N)CCCSc1nc2ccccc2n1C(F)F 177224067 HNCXTYZANVSFIF-UHFFFAOYSA-N 309.385 4.853 30 20 DJED Cc1cc(C#N)ccc1CN[C@H](C)c1c(F)cccc1Cl 186323456 HBKKDCQFJUHBRO-GFCCVEGCSA-N 302.780 4.510 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2cnc(-c3ccccc3)s2)cc1 255632118 UWXZCVKIVLOIJO-KHPPLWFESA-N 316.385 4.578 30 20 DJED N#Cc1cnc2ccccc2c1N1CCC(c2ccsc2)CC1 302372626 CNUZUDZVVASSSH-UHFFFAOYSA-N 319.433 4.552 30 20 DJED C[C@@H]1OCC[C@@]1(C)/N=C(/O)Cc1cc2c(ccc3ccccc32)o1 329281791 AFKVZUGRGMBCRK-RNODOKPDSA-N 323.392 4.653 30 20 DJED Cc1oc(C(C)C)cc1/C(O)=N/C[C@@H]1CCCO[C@H]1C(C)(C)C 330616871 WMGWRPKOSBHGLM-WMLDXEAASA-N 321.461 4.857 30 20 DJED N#CC1(CCN2CCC(CC(F)(F)F)CC2)CCCCC1 411765061 IOZMSEQVQLDEBB-UHFFFAOYSA-N 302.384 4.515 30 20 DJED N#CC1(CSCc2coc(-c3ccc(F)c(F)c3)n2)CCC1 419395820 BWGGUWSDAWOAIP-UHFFFAOYSA-N 320.364 4.547 30 20 DJED CCc1c(N[C@H](C)c2cccc(C#N)c2)cnn1CCC(C)C 426030964 WESHHWQFJAUBCC-OAHLLOKOSA-N 310.445 4.536 30 20 DJED C=C(C)CNC(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C 429435450 JCVQJKQZZZQHMK-MRXNPFEDSA-N 324.424 4.833 30 20 DJED C=CCC(CC=C)C(=O)Nc1cccc(-c2nc(C)cs2)c1 467317618 BUAVOVDEEMTKIP-UHFFFAOYSA-N 312.438 4.825 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C 467964250 JIWYQSIUMYVDJE-OXQOHEQNSA-N 314.473 4.915 30 20 DJED C=CCCN(C)C(=O)c1cc(C)ccc1SC1CCCC1 468181902 DXXKSKWSQDQRFO-UHFFFAOYSA-N 303.471 4.678 30 20 DJED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1cc2cccc(F)c2o1 474107980 SQFXREIWHDIRGV-OLZOCXBDSA-N 308.356 4.855 30 20 DJED C=CCC1(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)CCC1 478295455 XPHPCYFPJTUKMZ-GFCCVEGCSA-N 311.347 4.629 30 20 DJED C=CCSc1ccccc1C(=O)Nc1cnc2ccccc2c1 485729436 CCLZWXULKVYFEX-UHFFFAOYSA-N 320.417 4.765 30 20 DJED CCc1cccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1CC 489501494 SHUBEGNIBLEQHK-UHFFFAOYSA-N 318.420 4.619 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N(C)c1ccccc1C#N 489727024 UXXDOJXMIASJDW-DOTOQJQBSA-N 318.420 4.511 30 20 DJED CC(C)C[C@@H]1CCCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 501168251 PYMDWRPNPNQWPN-KRWDZBQOSA-N 313.445 4.530 30 20 DJED C=C(CNC(=O)N[C@@H](C)c1cc2ccccc2o1)c1ccccc1 502567319 DJMXPLRKIPEAPQ-HNNXBMFYSA-N 320.392 4.506 30 20 DJED CC[C@@H](C)Sc1ccc(NC(=O)N(C)C[C@@H](C)C#N)c(C)c1 509970755 NCGXAJJNRXBRFE-GXTWGEPZSA-N 319.474 4.509 30 20 DJED C=CCC(F)(F)c1nc(CSc2ccc(Cl)cc2)no1 517020906 UTCADTNQJZOMAJ-UHFFFAOYSA-N 316.760 4.683 30 20 DJED C=CC1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)CC1 518452966 KAANVWPSWXNEGL-KRWDZBQOSA-N 320.864 4.645 30 20 DJED C=CC[C@H](C)NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 522642519 RBQIPRJKAHUDSP-YJBOKZPZSA-N 311.450 4.601 30 20 DJED CCc1ccc([C@@H](C)CC(=O)N(CCC#N)CC(C)(C)C)cc1 523087743 YCOKQADGQQTKKQ-INIZCTEOSA-N 314.473 4.531 30 20 DJED C=C[C@@H](Cc1nc(-c2ccc3cc[nH]c3c2)no1)c1ccccc1 545636089 CCUNOQJMMJPWGP-AWEZNQCLSA-N 315.376 4.730 30 20 DJED Cc1ccc2cc([C@@H](C)NC3(c4cccc(C#N)c4)CC3)oc2c1 551813171 IVUNVXZZESSBDP-OAHLLOKOSA-N 316.404 4.953 30 20 DJED CC(C)(NCc1ccc(Cl)cc1C#N)c1ccc(Cl)cc1 560183555 MZTSZFNYCZULRK-UHFFFAOYSA-N 319.235 4.890 30 20 DJED C=CCC(F)(F)c1nc(Cc2ccc(Cl)cc2Cl)no1 568304200 DCEDPQLAMWCPNU-UHFFFAOYSA-N 319.138 4.635 30 20 DJED CC1(C#N)CCC(Nc2cccc(OCc3cccnc3)c2)CC1 574029415 WPVBCMBSVOBABS-UHFFFAOYSA-N 321.424 4.545 30 20 DJED C[C@](C#N)(NC(=O)c1ccc(F)c2ccccc12)C1CCCCC1 576087251 KCLGBTRSQNUYIS-HXUWFJFHSA-N 324.399 4.571 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccc(C2CC2)cc1 591866012 ILABDDWSAKUSKJ-AWEZNQCLSA-N 319.408 4.661 30 20 DJED Cc1cc(C#N)nc(S[C@@H](C)c2cccc(C(F)(F)F)c2)n1 596558738 CITHAALASIIBGT-JTQLQIEISA-N 323.343 4.529 30 20 DJED Cc1ccc(-c2nc(CSCc3cccc(C#N)c3)co2)cc1 603442682 ZSQTVYDSBYWYIT-UHFFFAOYSA-N 320.417 4.955 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)C1CCCC1 610522702 OAHHTOLLPFSZTG-UONOGXRCSA-N 316.470 4.703 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(COC(C)(C)C)cc1 675157414 BSTQNWJXKFNYTO-UHFFFAOYSA-N 301.430 4.709 30 20 DJED O=C(/C=C/c1cccc(OC(F)(F)F)c1)c1cccc(F)c1 727973277 XKKYJFCXAOCRQF-BQYQJAHWSA-N 310.246 4.620 30 20 DJED Cc1cccc(-c2n[nH]cc2/C=C2\Cc3cc(C)ccc3C2=O)c1 728787594 PGFKMAMGLUPSSD-GZTJUZNOSA-N 314.388 4.516 30 20 DJED Cc1ccc(-c2n[nH]cc2/C=C2/Cc3c(C)cccc3C2=O)cc1 729151617 UNULHKRAFBIYMX-YBEGLDIGSA-N 314.388 4.516 30 20 DJED C#Cc1cccc(NC(=O)N(Cc2ccccc2)[C@H](C)CC)c1 731899591 NPLSQHVXVWLZNS-MRXNPFEDSA-N 306.409 4.501 30 20 DJED Cc1n[nH]c(C)c1/C=C/C(=O)c1cccc(-c2ccccc2)c1 746345355 FESAEAKKSLZGPN-VAWYXSNFSA-N 302.377 4.590 30 20 DJED Cc1cccc(-c2nnc([C@@H](C)Sc3ccc(C#N)cc3)o2)c1 753596213 WQPQPWYQCOFKGQ-CYBMUJFWSA-N 321.405 4.770 30 20 DJED O=C1/C(=C\c2nccc3ccccc23)[C@H]2CCCc3cccc1c32 763289451 MNAWKXWBTGECKC-MCRQTXEHSA-N 311.384 4.935 30 20 DJED C=C(Cl)COc1ccc([C@H](C)NCc2ccccc2)cc1 764550128 IBNCTYLEKKXEDU-HNNXBMFYSA-N 301.817 4.669 30 20 DJED CC(C)[C@H](C(=O)OCCCCC(C)(C)C#N)c1ccccc1 768736755 ALJSKBPIVSUQIK-KRWDZBQOSA-N 301.430 4.689 30 20 DJED CC(=NNc1ccccc1C(F)(F)F)c1ccc(Cl)cn1 774309884 NHYHNAJQODSTJV-UHFFFAOYSA-N 313.710 4.590 30 20 DJED CCCCCCCCCC(=O)N1CCC[C@H]1C1CCOCC1 777494102 MEHFVVDBZMFSLZ-SFHVURJKSA-N 309.494 4.545 30 20 DJED Clc1sccc1C=NNc1ccc(Br)cc1 790153498 GWBXYSVBUYTNNO-UHFFFAOYSA-N 315.623 4.610 30 20 DJED COc1ccc(C(=O)/C=C/C=C/c2ccc(F)c(F)c2)c(F)c1 794691392 PSJZPCZGWWYPNQ-ZUVMSYQZSA-N 318.294 4.565 30 20 DJED C=CCNC(=S)N(C)[C@@H](c1ccc(Cl)cc1)C(CC)CC 794998793 GZGYQFBWCDZMRH-MRXNPFEDSA-N 324.921 4.810 30 20 DJED N#Cc1c(Cl)nsc1N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 795207668 URDPJRWJRSIARC-CMPLNLGQSA-N 321.808 4.555 30 20 DJED COc1ccc2cc(N[C@H](C)c3ccc(C#N)cc3)ccc2c1 795325380 MQPOZWUHPPEEPN-CQSZACIVSA-N 302.377 4.893 30 20 DJED O=C1/C(=C/c2c(Cl)cccc2Cl)Cc2c(O)cccc21 810249314 UOSVNJCQOOCFHI-CMDGGOBGSA-N 305.160 4.521 30 20 DJED CCOc1ccc(NN=C(C)c2nc3ccccc3s2)cc1 814985085 RAARVDGNQAAYKX-UHFFFAOYSA-N 311.410 4.531 30 20 DJED N#CC1(CCCC[S@](=O)CCCCc2ccccc2)CCC1 899287718 WEHVKXKGFXYTKJ-JOCHJYFZSA-N 317.498 4.622 30 20 DJED CC(C)c1ccc([C@@H](C)NN=Cc2c(F)cccc2F)cc1 917551149 HFUIOBVENVJTES-CYBMUJFWSA-N 302.368 4.773 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)c3ccccc3)c2C#N)[C@@H](C)C1 1129227099 QMMMWVMTCGGKOZ-RYUDHWBXSA-N 310.422 4.558 30 20 DJED CCCCc1ccc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)cc1 1264242749 IAGAAJABKUBNDG-MRXNPFEDSA-N 320.436 4.718 30 20 DJED CSc1ccccc1[C@H](C)N[C@@H]1CCc2cc(C#N)ccc21 1344579426 ISJLXVZIENFQTR-SCLBCKFNSA-N 308.450 4.618 30 20 DJED CC[C@@H](c1ccccc1)N(C(=O)c1csc(C#N)c1)C(C)C 1348040245 AKRIZTGDAOAMAW-KRWDZBQOSA-N 312.438 4.622 30 20 DJED CCC[C@H](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1353894734 KJHRCWJMIXWZSS-AWEZNQCLSA-N 323.440 4.731 30 20 DJED N#CCC1(CN[C@@H]2CCCC[C@@H]2c2ccccc2Cl)CC1 1462164061 QIDZDHAJIIPLKB-NVXWUHKLSA-N 302.849 4.650 30 20 DJED CC(C)[C@@H](CC(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccccc1 1539791768 RXPIZLBHCAEAPZ-OXQOHEQNSA-N 321.420 4.992 30 20 DJED CCc1cccc2cc(CNc3ccc(F)cc3OCC#N)oc12 1560743603 XXHMYCRZERIOGY-UHFFFAOYSA-N 324.355 4.649 30 20 DJED CCC1(CC)CN(Cc2ccc(C#N)c(OC)c2)c2ccccc21 1560745537 RMLBMFICJJBTRX-UHFFFAOYSA-N 320.436 4.645 30 20 DJED CCC[C@]1(C)CCCN(c2ccc(C#N)c(Br)c2)C1 1650796021 MBYRJSSWOMGKIV-MRXNPFEDSA-N 321.262 4.727 30 20 DJED N#Cc1cc(F)cc(NCc2ccc(-c3ccc(F)cc3)o2)c1 1663069328 XBRPWDDIDPCGEO-UHFFFAOYSA-N 310.303 4.709 30 20 DJED C=CCN(Cc1cccc(C#N)c1)C(=O)c1sccc1C(C)C 62905532 GPNJMQXWEJCOKK-UHFFFAOYSA-N 324.449 4.572 30 20 DJED CC1CCN(Cc2ccc(NCC(C)(C)CCC#N)cc2)CC1 156074092 IDDOWXSUSWJGNA-UHFFFAOYSA-N 313.489 4.660 30 20 DJED CC[C@H](C)[C@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 171839345 MKZHZHMUTJFKHZ-IHRRRGAJSA-N 319.474 4.637 30 20 DJED C[C@H](NCc1ccc(C#N)cc1F)c1cc(Cl)ccc1Cl 177861286 ZMUNBTJERHDVMR-JTQLQIEISA-N 323.198 4.855 30 20 DJED C=C[C@H](CC(=O)Nc1cnn(C2CCCC2)c1C)c1ccccc1 192716954 QPXVAXBZELSRDJ-MRXNPFEDSA-N 323.440 4.605 30 20 DJED C[C@H](N[C@H]1CCSc2ccc(F)cc21)c1ccc(C#N)cc1 192737852 BMZPTLYEXXSECS-SJCJKPOMSA-N 312.413 4.585 30 20 DJED COc1ccc(C)cc1C(=O)/C=C\c1ccccc1OC(F)F 206254166 RIGLHTMVNVGLQS-HJWRWDBZSA-N 318.319 4.501 30 20 DJED CC[C@H](C)n1ncc(N=C(O)N(C)CCC2CCCCC2)c1C 331152321 USOOXLJTSXNBJS-AWEZNQCLSA-N 320.481 4.610 30 20 DJED Cc1c(NCc2cccc(OCCCC#N)c2)ccc(F)c1F 414595668 ZIPXGPRTQRYCLB-UHFFFAOYSA-N 316.351 4.568 30 20 DJED CC(C)(C)c1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 414662040 POVKLASLOHHWFL-DLBZAZTESA-N 318.420 4.598 30 20 DJED C=C[C@H]1CCCCN1C(=O)N[C@H](C)c1oc2ccccc2c1C 426392806 ZURQETJGSPEYQZ-CABCVRRESA-N 312.413 4.552 30 20 DJED C=CCc1cc(/C=C\c2nc3ccccc3s2)cc(OC)c1O 436936589 BXRMZVYLFBDAMH-KTKRTIGZSA-N 323.417 4.909 30 20 DJED CC(C)(NCc1ccc(C#N)cc1Cl)c1cccc(Cl)c1 439456829 ABFVQGCGUMNSHM-UHFFFAOYSA-N 319.235 4.890 30 20 DJED CC1(C#N)CCC(NCC(c2ccccc2)c2ccccc2)CC1 449063675 QNRUMGONYBDEIL-UHFFFAOYSA-N 318.464 4.881 30 20 DJED Cc1cc(Sc2ccccc2)ccc1NC(=O)[C@]1(C#N)C[C@@H]1C 460056212 WUXSYBOKPIRLEG-LIRRHRJNSA-N 322.433 4.635 30 20 DJED C[C@@H](C(=O)Nc1csc2ccccc12)c1cccc(C#N)c1 462553141 RNSGOBLMSBMYHW-GFCCVEGCSA-N 306.390 4.515 30 20 DJED N#C[C@@H]1CCC[C@@H](NCCC(c2ccccc2)c2ccccc2)C1 463278893 DTAWOHDRSAKKJO-WIYYLYMNSA-N 318.464 4.881 30 20 DJED N#Cc1cccc(SCc2sccc2Br)c1 463428062 DURNFFUJKLTVAU-UHFFFAOYSA-N 310.241 4.675 30 20 DJED CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)C[C@@H](CC#N)c2ccccc2)C1 474897794 OVYNQQCEHFMMCI-LVCYWYKZSA-N 324.468 4.501 30 20 DJED CC1(CNC(=O)C[C@@H](CC#N)c2ccccc2)CCCCCC1 476575818 QATDDJCCRGCGRP-GOSISDBHSA-N 312.457 4.551 30 20 DJED C=CC1CCN(C(=O)N[C@@H](C)c2cccc3ccccc23)CC1 476622153 CVPYQKFFATXMAC-HNNXBMFYSA-N 308.425 4.508 30 20 DJED C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(C#N)cc1 481654372 VETVHJOXDAVXAZ-YCRPNKLZSA-N 315.420 4.548 30 20 DJED Cc1cc(C)c(NCc2cc(C#N)cs2)cc1Br 485705039 NGYBIAHDMIWLML-UHFFFAOYSA-N 321.243 4.611 30 20 DJED COc1ccc([C@H](CCC#N)NC[C@H](C)c2cccc(C)c2)cc1 546308619 NKKRVHWSUXXFDS-UWJYYQICSA-N 322.452 4.742 30 20 DJED C=C[C@@H](CC(=O)NC[C@H](c1ccccc1)C1CC1)c1ccccc1 563906378 HMRIKFOFHRYYRI-LAUBAEHRSA-N 319.448 4.656 30 20 DJED CC(C)(CCC#N)CN[C@H]1CCc2c1ccc(Cl)c2Cl 588231662 XSAOTDDQBMYCMK-AWEZNQCLSA-N 311.256 4.900 30 20 DJED C[C@H](c1ccccc1)N(CC1CCC1)C(=O)CCCCCC#N 588381303 RNXRTAVPHASYPW-QGZVFWFLSA-N 312.457 4.850 30 20 DJED C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2csc(Cl)c2)cc1 588558958 PLBGFSZHASUMNE-IBHLPDHGSA-N 317.797 4.588 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2Nc1ccc([C@@H]2CCOC2)cc1 590262205 QJVCTVOGLXMJPY-WIYYLYMNSA-N 318.420 4.552 30 20 DJED CC(C)n1cc([C@H](C)Nc2ccc(C#N)c(C(F)(F)F)c2)cn1 609586026 QQFGBJGCHWIZOJ-NSHDSACASA-N 322.334 4.528 30 20 DJED CCC(C)(C)CC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 610396030 VLHRNMCUMXZSHT-UHFFFAOYSA-N 323.396 4.510 30 20 DJED Cc1ccc([C@H](C)Nc2cccc(OCCCC#N)c2)c(C)n1 611468465 AZSNRXBREGXZNQ-INIZCTEOSA-N 309.413 4.554 30 20 DJED C=C(C)CN(CC)C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 616110552 CABZMRJSPSGJOP-INIZCTEOSA-N 306.425 4.521 30 20 DJED C=CCC[C@H](NCc1cccc(O)c1Cl)c1ccccc1 645166927 UNBPDBBJNICVOK-INIZCTEOSA-N 301.817 4.843 30 20 DJED CCCCCCCCOCC(=O)N1CCC[C@@H]1c1ccsc1 741536184 GWTDGHYZZNLVSP-QGZVFWFLSA-N 323.502 4.789 30 20 DJED CCCOc1ccc(C(=O)/C=C\c2ccc(OC)c(F)c2)cc1 747124194 KZAJTFXANYPKGH-WMZJFQQLSA-N 314.356 4.519 30 20 DJED CC(C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1)=C1CCCC1 753604665 AFSHFZFZGQADLK-SFHVURJKSA-N 310.441 4.555 30 20 DJED C#CC[C@@H](NCc1csc(-c2ccccc2)n1)c1ccccc1 756996070 NFIVCKOLXBIVSV-LJQANCHMSA-N 318.445 4.664 30 20 DJED C=CC[C@H](N[C@H](C)c1cc(Cl)ccc1OC)c1ccncc1 766017779 DBTOBXBKCAJOMC-DYVFJYSZSA-N 316.832 4.712 30 20 DJED N#Cc1ccc(Oc2ccc(C(F)(F)F)c(Cl)n2)c(F)c1 767814014 MAKVKHUMSKUYFB-UHFFFAOYSA-N 316.641 4.557 30 20 DJED CCOc1ccc(C(=O)/C=C/c2ccc(Cl)nc2Cl)cc1 779358418 IRAUUVBLQPSFMY-WEVVVXLNSA-N 322.191 4.683 30 20 DJED CC(C)Oc1ccc(NCc2ccc(C#N)cc2)c(Cl)c1 780308425 KALZRMJHECAPPP-UHFFFAOYSA-N 300.789 4.611 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)/C(C)=C\c1cccc(Cl)c1 787944931 RPLWIPBPQRSIKT-OWBHPGMISA-N 318.848 4.674 30 20 DJED CC1(C)CCC[C@@H](C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)C1 797567849 MTKOXNZCKIKBJN-CHWSQXEVSA-N 318.486 4.833 30 20 DJED CC(C)(C)c1cnc(Sc2nc(Cl)c(C#N)s2)s1 804551867 UYYSLKIOGVBTJD-UHFFFAOYSA-N 315.876 4.573 30 20 DJED C#C[C@@H](NCc1cc(C)c2ncccc2c1)c1ccc(Cl)cc1 811516823 VOIJTBGBINOQGU-LJQANCHMSA-N 320.823 4.661 30 20 DJED C[C@@H](N[C@H](C)c1cccc(C2CC2)c1)c1ccc(OCC#N)cc1 815591555 KPZUDXBFOUPJAH-HZPDHXFCSA-N 320.436 4.878 30 20 DJED C=CCC(F)(F)C(=O)N1CCCCC[C@H]1c1cccc(C)c1 815649481 RAHWXNDXQVHETR-INIZCTEOSA-N 307.384 4.650 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C[C@@H]1CC1(Cl)Cl 838510952 VBFZPIODRXDORG-VIFPVBQESA-N 310.677 4.583 30 20 DJED CCc1ccc(-c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)cc1 904576561 OLOAGZBKXRXFHX-UHFFFAOYSA-N 317.392 4.767 30 20 DJED CCOc1cccc2cc(C(=O)/C=C\c3ccccc3OC)oc12 916130310 NJQCPHIYPJKULR-QXMHVHEDSA-N 322.360 4.736 30 20 DJED Fc1ccccc1C=NOCc1ccc(Cl)c2cccnc12 917395207 FHPFHROZEKWHPA-UHFFFAOYSA-N 314.747 4.578 30 20 DJED CC(C)CC(=NNc1ccc(C(C)(C)C)nn1)c1cccs1 1116087788 MNTGMXBPIGLMNO-UHFFFAOYSA-N 316.474 4.698 30 20 DJED C[C@H](OC(=O)[C@@H](CC#N)c1ccccc1)c1cc2ccccc2o1 1128108702 SOEKNLHWNHCCAU-YOEHRIQHSA-N 319.360 4.734 30 20 DJED Cc1ccc([C@H]2C[C@H](C)CCN2Cc2ccc(F)c(C#N)c2)o1 1167516652 HJMANEVNFVCUCO-FZKQIMNGSA-N 312.388 4.572 30 20 DJED N#CC1(CC(=O)NC2CCC(c3ccccc3)CC2)CCCCC1 1181366505 RKFYTRNJURNCHD-UHFFFAOYSA-N 324.468 4.693 30 20 DJED CC[C@H](C)c1ccc([C@@H](Nc2ccc(C#N)nn2)C(C)C)cc1 1184667049 SFRLDZHGSNYKQJ-LIRRHRJNSA-N 308.429 4.671 30 20 DJED Cc1ccc(C#N)cc1C(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C 1264813415 VDLSCYZZXNBQDX-SFHVURJKSA-N 324.399 4.523 30 20 DJED N#Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)o1 1279077381 KTTJFVXHYTWWAB-UHFFFAOYSA-N 322.751 4.724 30 20 DJED CCCc1ccc(CN2CCC(c3ccc(C#N)cc3)CC2)cc1 1308115001 UHFNCLZHEMKYGG-UHFFFAOYSA-N 318.464 4.890 30 20 DJED CN(C(=O)c1ccc(-c2cccs2)s1)c1ccc(C#N)cc1 1320872591 AJQDJJIRIZWYPY-UHFFFAOYSA-N 324.430 4.625 30 20 DJED N#Cc1cccc(C#N)c1SCc1cccc2ccccc12 1321177001 RIGOVEUEYWHSOY-UHFFFAOYSA-N 300.386 4.875 30 20 DJED C[C@H](NC(=O)C1CC(C)(C)CC(C)(C)C1)c1ccc(C#N)cc1 1358242542 WDXWBXZLMZFARD-AWEZNQCLSA-N 312.457 4.588 30 20 DJED Cc1nc(N(C)[C@H]2CCC[C@@H]2C(C)(C)C)c(Cl)cc1C#N 1458444808 KJTJDQVZIRMLFM-ZFWWWQNUSA-N 305.853 4.566 30 20 DJED CCCCC1CCC(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 1520212811 ZEKSIGJSBBOMNB-MKJPBZQASA-N 324.468 4.658 30 20 DJED CC(C)CCc1ccc(NC(=O)[C@@H](CC#N)c2ccccc2)cc1 1535945489 PBOPYRMPUIAKIT-FQEVSTJZSA-N 320.436 4.911 30 20 DJED CC(C)[C@H]1CC[C@H](C(=O)N(C)c2ccc(C#N)c(Cl)c2)CC1 1543992423 RDGPQHBQOHQGMH-HDJSIYSDSA-N 318.848 4.637 30 20 DJED Cc1cc(NCC(C)(C)CCC#N)ccc1C(=O)OC(C)(C)C 1560427797 OJZPGLPDDFMCEU-UHFFFAOYSA-N 316.445 4.692 30 20 DJED Cc1c([C@@H](C)NCc2ccc(C#N)s2)sc2ccccc12 1617030566 DQSYNMSCTZEXGV-GFCCVEGCSA-N 312.463 4.994 30 20 DJED Cc1ccc(-c2ccccc2CN(C)CC(C)(C)C#N)c(C)c1 1621353532 SZSWQQOXENJNRV-UHFFFAOYSA-N 306.453 4.952 30 20 DJED Cc1nc(Sc2cc(Cl)ccc2F)c(Cl)cc1C#N 1639894477 VWIZKDLSHXWGNG-UHFFFAOYSA-N 313.184 4.859 30 20 DJED CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNc1c(C#N)nnc2ccccc12 1642172383 DMAISGSFVFSQCE-PMPSAXMXSA-N 322.456 4.622 30 20 DJED Cc1nc(N[C@H](C)c2cc(Cl)ccc2Cl)ccc1C#N 1642596021 BMOJDEDVRRUODA-SNVBAGLBSA-N 306.196 4.742 30 20 DJED C[C@]1(Cc2ccccc2)CCCN1Cc1ccc(C#N)cc1Cl 1642617304 LVFNNOQZIQSPLW-HXUWFJFHSA-N 324.855 4.809 30 20 DJED COCc1ccc(Nc2c(C#N)cnc3c(Cl)cccc23)cc1 1651801122 JOAAZIUJHGKFNQ-UHFFFAOYSA-N 323.783 4.650 30 20 DJED CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(C#N)cc2)CC1 1666343387 SQGOMVXSCJKWQN-HZPDHXFCSA-N 313.445 4.675 30 20 DJED Cc1c(NN=C2CCC(C(C)(C)C)CC2)cccc1C(=O)O 1776086179 GGKWEGGLGBDLAV-UHFFFAOYSA-N 302.418 4.697 30 20 DJED CC(C)Cc1ccc(C(=O)/C=C/c2cc(C(=O)O)cs2)s1 1776339881 LMDCYHCRWFVSIR-HWKANZROSA-N 320.435 4.602 30 20 DJED C=CCOc1ccccc1CN[C@H](C)c1ccc(Cl)cc1 34992793 DRNFWHQMGONPRY-CQSZACIVSA-N 301.817 4.756 30 20 DJED CC(C)N(Cc1cccc(Cl)c1)Cc1ccc(C#N)cc1F 59038086 STMGPAQWCSSSBD-UHFFFAOYSA-N 316.807 4.761 30 20 DJED N#Cc1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1 69285779 AZDRJOSVPSQPJF-UHFFFAOYSA-N 312.416 4.761 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccccc1F 77687449 FAWSWWXBVDTHJN-UHFFFAOYSA-N 322.364 4.678 30 20 DJED C[C@H](C(=O)Nc1cc(C(C)(C)C)sc1C#N)c1ccsc1 91208091 QMONYQRIEMMARD-JTQLQIEISA-N 318.467 4.721 30 20 DJED N#Cc1cc(Cl)ccc1N[C@H]1CCO[C@H](c2ccccc2)C1 160581567 OAIDBUBJZGBKNM-WMZOPIPTSA-N 312.800 4.544 30 20 DJED C=CCCCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2[nH]1 175660422 HJVRPHWQAKKFTC-UHFFFAOYSA-N 319.408 4.833 30 20 DJED Cc1cccnc1CSc1ccc(C#N)c(C(F)(F)F)c1 181063937 MBYYPMZAVVYGGD-UHFFFAOYSA-N 308.328 4.573 30 20 DJED C=CCCC[C@H](C)N[C@@H](C)c1sc(-c2cccnc2)nc1C 182183244 BOYQVVMCAFTKRU-KBPBESRZSA-N 315.486 4.909 30 20 DJED C[C@H](Nc1cccc(OCCCC#N)c1)c1nc2ccccc2o1 182433223 RCEWZEUSLPXXOV-AWEZNQCLSA-N 321.380 4.683 30 20 DJED C[C@H](N[C@H](C)c1ccccc1Cl)c1ccc(OCC#N)cc1 192936046 RBCLSWACFCNCQS-UONOGXRCSA-N 314.816 4.654 30 20 DJED COc1cccc2c(N[C@@H](CCC#N)c3ccccc3)ccnc12 193488996 VXUYTBBMCIFYJK-KRWDZBQOSA-N 317.392 4.700 30 20 DJED Cc1cc([C@@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)c(C)s1 271941974 OYDGGWCILWFXBG-NWDGAFQWSA-N 302.418 4.788 30 20 DJED C=C[C@H](CC(=O)Nc1ncsc1C(C)C)c1ccccc1 288804314 IUYAMLAJZNGBSF-CYBMUJFWSA-N 300.427 4.565 30 20 DJED CC(C)[C@@H](Nc1ncccc1C#N)c1ccc(C(F)(F)F)cc1 301794091 PNLUXUCOHYKXAN-OAHLLOKOSA-N 319.330 4.781 30 20 DJED CC(C)c1nccc(Sc2ccc(C#N)c(C(F)(F)F)c2)n1 302174001 MPFOAFMISSNUTN-UHFFFAOYSA-N 323.343 4.642 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C\c1cnc(-c3ccccc3)s1)C2 303329280 WCRPYGQBVYITLT-WJDWOHSUSA-N 317.413 4.941 30 20 DJED N#CCOc1cccc(NCc2ccc(-c3ccccc3)s2)c1 319993351 YNYRVLWKJZLGPP-UHFFFAOYSA-N 320.417 4.930 30 20 DJED CC1(C)CCC[C@H](/C(O)=N/[C@@H]2CCC(O)=N[C@H]2C(C)(C)C)C1 329289957 QKZKPCHZKAFPSS-GZBFAFLISA-N 308.466 4.693 30 20 DJED O/C(=N/CC1CCC(c2ccccc2)CC1)c1conc1C1CC1 329513790 LOYIQORURQWEQQ-UHFFFAOYSA-N 324.424 4.831 30 20 DJED N#CCC[C@H](NCc1cccc(Cl)c1F)c1ccccc1 344827745 ANLNERWSXGHLOT-INIZCTEOSA-N 302.780 4.614 30 20 DJED Cc1nc(CSCc2ccc(Cl)cc2C#N)sc1C 358649606 JFMZUSAUWVKZKX-UHFFFAOYSA-N 308.859 4.718 30 20 DJED C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccc(C2CC2)cc1 416828124 GFHSBZZAVFFLQC-CQSZACIVSA-N 319.408 4.513 30 20 DJED C=C(C)COc1cccc(NC(=O)N2C[C@@H](C)CCC[C@@H]2C)c1 438113870 CMBSBQZJGQVGCJ-HOTGVXAUSA-N 316.445 4.684 30 20 DJED Cc1cccc(Oc2ccccc2CN[C@H]2CC[C@H](C#N)C2)c1 442776131 BLGAOHHARIFZMD-WMZOPIPTSA-N 306.409 4.569 30 20 DJED CC[C@@H](Nc1cnn(CCC(C)C)c1C)c1ccc(C#N)cc1 447601878 QPVITYJHTIUJDA-GOSISDBHSA-N 310.445 4.673 30 20 DJED N#Cc1cccc(OCCNc2cccc(-c3cccs3)c2)c1 462237576 UCWIOFUQSMQBFA-UHFFFAOYSA-N 320.417 4.778 30 20 DJED C=CCCCC(=O)Nc1cccc(COc2ccccc2)c1C 480008685 AIEBSEHJEXPYRN-UHFFFAOYSA-N 309.409 4.869 30 20 DJED C=CCOc1ccc(CNCc2cscc2C)cc1Cl 487150039 BMVRYCOSQLILRP-UHFFFAOYSA-N 307.846 4.565 30 20 DJED CC(C)(C)[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)CS1 488440736 QQVCGYGADRJGQV-ULQDDVLXSA-N 302.487 4.541 30 20 DJED Cc1cc(N2CCC(C)(C#N)CC2)c2cc(Cl)cc(C)c2n1 503295756 LLEIOYFARVILCO-UHFFFAOYSA-N 313.832 4.635 30 20 DJED Cc1ccc(OCc2ccc(-c3ccccc3C#N)cc2)nc1 524987710 BUAZTSIGIUTJNI-UHFFFAOYSA-N 300.361 4.508 30 20 DJED Cc1cc(NCC(C)(C)CCC#N)nn1-c1cccc(Cl)c1 540733949 BCUWATOSLBNZGY-UHFFFAOYSA-N 316.836 4.576 30 20 DJED C=C(C)CN[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 542575484 JWTKCJOEDLUAKK-NSHDSACASA-N 306.862 4.999 30 20 DJED CCC(C)(C)OCc1ccccc1NCc1cc(C#N)cs1 543615774 PLETVULVPDRHBQ-UHFFFAOYSA-N 314.454 4.937 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)Nc1cccc2cc[nH]c12 547526490 OQQVWQTVDMZJLN-UHFFFAOYSA-N 323.371 4.527 30 20 DJED CC(C)c1ccoc1-c1noc(-c2ccc(C#N)c(Cl)c2)n1 562342070 DEBIBRRJVVFBGI-UHFFFAOYSA-N 313.744 4.645 30 20 DJED C[C@H](Nc1ccc2c(c1)C(=O)CCCC2)c1ccc(C#N)cc1 564815777 KFBIBEHJGGSJCC-AWEZNQCLSA-N 304.393 4.640 30 20 DJED N#Cc1ccc(Oc2nc(C3CCCC3)ns2)c(Cl)c1 573195784 MDPZEMUWAISLQM-UHFFFAOYSA-N 305.790 4.513 30 20 DJED COc1cc(/C=C\C(=O)c2cc3ccccc3s2)ccc1O 588535270 VKYHSQUNVUGNAJ-CLFYSBASSA-N 310.374 4.512 30 20 DJED C[C@@H](CCC#N)CNc1cccc(NC(=O)C2CCCCC2)c1 602498366 YSNJUKGEULQQLQ-HNNXBMFYSA-N 313.445 4.557 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H](C)CC(C)(C)C 603872541 ZXKSUPPKKXPCBY-MRXNPFEDSA-N 314.473 4.759 30 20 DJED CC(C)(C)CCC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 609968268 SIYIKYIJZWJQFC-UHFFFAOYSA-N 323.396 4.510 30 20 DJED C=CCN1C(=O)c2ccccc2N[C@H]1c1cc2ccccc2s1 639403060 DDDIIYACYSCRDJ-GOSISDBHSA-N 320.417 4.654 30 20 DJED N#CCOc1ccc(CSc2ccc(F)c(Cl)c2)cc1 731157891 LJKQGEBEEPWMJL-UHFFFAOYSA-N 307.777 4.674 30 20 DJED C#CCOc1ccc(CN[C@@H](C)c2cc3ccccc3s2)cc1 733328675 XRZKJEYSDWNRFM-HNNXBMFYSA-N 321.445 4.764 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2cccc(Cl)c2Cl)s1 762446796 LGWAOVHGZHWXPO-GQCTYLIASA-N 308.189 4.823 30 20 DJED CCSc1cccc(/C=C\C(=O)c2ccc(C#N)c(F)c2)c1 769746398 IPCKZWROHALFET-TWGQIWQCSA-N 311.381 4.705 30 20 DJED C=CCC[C@@H](C(=O)OCc1cnc(Cl)s1)c1ccccc1 778554277 LNTGRSAUWTUYDY-CQSZACIVSA-N 321.829 4.590 30 20 DJED Cc1cc2c(cc1C)[C@@H](NCc1ccc(C#N)cc1)CCS2 779002991 IZLVLROJNXUPDP-SFHVURJKSA-N 308.450 4.502 30 20 DJED Cc1cc(C(=O)/C=C/c2c(C)nc3sc(C)cn23)c(C)s1 797110211 XPGNPXYILVUZPL-AATRIKPKSA-N 316.451 4.587 30 20 DJED C[C@@H]1/C(=C\c2coc(-c3ccccc3)n2)C(=O)c2ccccc21 809159322 NJXXVGJWBSXGDF-FHXOWUIVSA-N 301.345 4.725 30 20 DJED Fc1cc(F)cc(C2CC(=NNc3ccc4ccccc4n3)C2)c1 814697501 QUJTXRZFIGVOSB-UHFFFAOYSA-N 323.346 4.859 30 20 DJED C=CCN(CC=C)C(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C 914748537 MIJFFTQCIICBSK-KRWDZBQOSA-N 322.452 4.528 30 20 DJED Cc1cc(/C=C\C(=O)c2ccccc2C(F)(F)F)cc(C)c1O 916135954 ALHNVSHDWHSVAP-FPLPWBNLSA-N 320.310 4.924 30 20 DJED CCn1cc(C(=O)/C=C\c2cc(-c3ccccc3)cs2)cn1 920991443 IJHKHZOAVGLUMO-HJWRWDBZSA-N 308.406 4.528 30 20 DJED Cc1cnc(C)c(Nc2ccc(Oc3cccc(C#N)c3)cc2)n1 1162475729 FHBAJHLEHFOILB-UHFFFAOYSA-N 316.364 4.501 30 20 DJED C[C@H](Cc1cccc(C(F)(F)F)c1)Nc1cccc(C#N)c1 1180487994 AWSOZZFLUPJFDD-GFCCVEGCSA-N 304.315 4.620 30 20 DJED Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2ccc(C#N)c(C)c2)o1 1204346643 CCPFAPBGLBIOHX-IFXJQAMLSA-N 308.425 4.741 30 20 DJED CCCN(Cc1ccc(C#N)cc1)[C@H]1CCCc2ccccc21 1307415533 ZJSFBQJKNVIVTC-NRFANRHFSA-N 304.437 4.848 30 20 DJED C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1ccc(Cl)cc1C#N 1307809129 BYTZSRAYMCZYNU-BBRMVZONSA-N 304.865 4.858 30 20 DJED CCCC[C@@H](C)N(CCCC)Cc1ccc(C#N)c(OC)c1 1308780482 ZLUYXQUNMNHOMW-MRXNPFEDSA-N 302.462 4.748 30 20 DJED N#C[C@H]1CC[C@@H](N[C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)C1 1308830562 YQCQIXINZKLVKG-QXRTWZOPSA-N 302.849 4.648 30 20 DJED CSc1cccc(NC(=O)Nc2scc(C)c2C#N)c1C 1310700843 FPKMBLZLHAMRFF-UHFFFAOYSA-N 317.439 4.603 30 20 DJED C=CCC(C)(C)c1noc([C@H]2Cc3ccc(C)cc3S2)n1 1324244385 HPORHOOBMUMRMF-CQSZACIVSA-N 300.427 4.621 30 20 DJED C[C@H](CC1CCCCC1)C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 1344837173 PYLSEQBQLZHHOK-IUODEOHRSA-N 316.470 4.803 30 20 DJED CCSc1ccccc1COc1ccc(C#N)cc1Cl 1458871882 CRBLEYNKFDUUBJ-UHFFFAOYSA-N 303.814 4.903 30 20 DJED CC(C)(C)c1ccc2c(c1)CCN(Cc1ccc(F)c(C#N)c1)C2 1473136862 LFEXNVYIOGVKRV-UHFFFAOYSA-N 322.427 4.553 30 20 DJED CCc1ccc([C@@H]2CCCN(Cc3ccc(CC#N)cc3)C2)cc1 1473450674 TXDFMSJQLPGLTB-JOCHJYFZSA-N 318.464 4.695 30 20 DJED Cc1cc(CN(C2CC2)[C@H]2CCCc3ccccc32)ccc1C#N 1474361954 GJQGPIDMSBVQDS-QFIPXVFZSA-N 316.448 4.909 30 20 DJED C[C@@H](CC(C)(C)C#N)Nc1ccccc1O[C@H](C)C(F)(F)F 1474565286 SPIHRKBDSFSYCD-NWDGAFQWSA-N 314.351 4.756 30 20 DJED C[C@H](OC(=O)c1ccc(C(C)(C)C)s1)c1ccc(C#N)cc1 1515135196 BTAXLNZKUABYGF-LBPRGKRZSA-N 313.422 4.835 30 20 DJED Cc1ccc(COc2cc(C#N)ccc2Br)cc1C 1559451366 JMGINPXTCFFBSZ-UHFFFAOYSA-N 316.198 4.517 30 20 DJED CC(=O)[C@](C#N)(CCSc1cc(C)ccc1C)c1ccccc1 1613279979 SNOVGHMXEOJMQG-HXUWFJFHSA-N 323.461 4.836 30 20 DJED C[C@H](CCC#N)CN(Cc1ccccc1)Cc1ccc(F)cc1 1621141221 TUNDSXJTANCREC-QGZVFWFLSA-N 310.416 4.768 30 20 DJED Cc1nc(Nc2ccccc2COc2ccccc2)ccc1C#N 1639317384 BZTLQWWVHOTZDU-UHFFFAOYSA-N 315.376 4.584 30 20 DJED Cc1ccc(OC(F)F)c(COc2ccc(C#N)cc2Cl)c1 1643573897 UWJQEUFYKRSLCE-UHFFFAOYSA-N 323.726 4.701 30 20 DJED CC(C)(C)[C@@H]1CN(Cc2ccc(CC#N)cc2)c2ccccc21 1645453294 JCMNNTLKUTYSDA-LJQANCHMSA-N 304.437 4.903 30 20 DJED N#Cc1cc(Oc2ccc(NC[C@H]3C[C@H]4CC[C@H]3C4)cc2)ccn1 1656353766 XTHJZKBRACPFFY-HRCADAONSA-N 319.408 4.594 30 20 DJED C[C@@H]1CC[C@@H](c2ccccc2)N(Cc2ccc(CC#N)cc2)C1 1658597744 PABKPRCETSZLAG-UTKZUKDTSA-N 304.437 4.726 30 20 DJED C[C@@H]1CCCC[C@@H]1CCNC(=O)Nc1ccc(C#N)c(Cl)c1 1665386105 RSVVEEOMMTXNTF-CHWSQXEVSA-N 319.836 4.550 30 20 DJED CCC(CC1CCCCC1)=NNc1ccc(C(=O)O)c(F)c1 1776076287 GXXUDEFQDQUZKQ-UHFFFAOYSA-N 306.381 4.672 30 20 DJED C=CC[C@]1(C(=O)O)CCCN([C@H](C)c2ccc3ccccc3c2)C1 1776154159 XCKIUNRYEQDKQH-IERDGZPVSA-N 323.436 4.644 30 20 DJED N#Cc1ccccc1CSc1ncc(-c2ccc(F)cc2)o1 10845956 KZGTXRRIRKFQIF-UHFFFAOYSA-N 310.353 4.645 30 20 DJED Cc1ccc(Cl)cc1N[C@@H](C)c1ccc(OCC#N)cc1 37184649 ZLPCHCADLYKGKZ-ZDUSSCGKSA-N 300.789 4.724 30 20 DJED Cc1ccc(Br)cc1N[C@@H](C)c1cccc(C#N)c1 37305713 XYVDWCHLODYXNE-LBPRGKRZSA-N 315.214 4.802 30 20 DJED C=CCN(Cc1cccc(C#N)c1)Cc1c(F)cccc1Cl 63300916 GFCQTTBNTJGWPC-UHFFFAOYSA-N 314.791 4.539 30 20 DJED N#Cc1csc(CN[C@H](c2ccccc2F)C2CCCC2)c1 88765284 ZDNQMHLFPPYLAN-SFHVURJKSA-N 314.429 4.780 30 20 DJED C=CCC(CC=C)C(=O)N1CCCCC[C@H]1c1ccc(C)o1 150802886 AJDXOYOBYIOCBD-KRWDZBQOSA-N 301.430 4.800 30 20 DJED CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2cc(C)ccc2C)c1 160921779 PUCCLGCWMIBMFM-IEBWSBKVSA-N 322.452 4.835 30 20 DJED Cc1ccc(N[C@@H](C)c2ccc(OCC#N)cc2)c2cccnc12 193011607 NOTVMGFGCVROPM-HNNXBMFYSA-N 317.392 4.619 30 20 DJED COc1ccc2cc(/C=C\C(=O)c3cnn(C(C)C)c3)ccc2c1 214914624 JXUBBHIFYJYBCR-UITAMQMPSA-N 320.392 4.522 30 20 DJED COc1ccc([C@H](C)N[C@@H](CCC#N)c2ccccc2)cc1C 273001056 XQZFRUAFKUQNNI-LPHOPBHVSA-N 308.425 4.699 30 20 DJED N#CCCCCN[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 284325593 MAZUTWWSBFDRCW-HZPDHXFCSA-N 310.363 4.625 30 20 DJED C#Cc1cccc(N(Cc2cccs2)C(=O)C2CCCCC2)c1 303121352 AEMFUTOJNZGNHT-UHFFFAOYSA-N 323.461 4.843 30 20 DJED C=CCC[C@H](NC(=O)NC1CCC(F)(F)CC1)c1ccccc1 341675107 NMRPKTKTWHCCLW-INIZCTEOSA-N 322.399 4.571 30 20 DJED C=CCOc1ccccc1CN[C@@H](C)c1ccc(OCC)cc1 390291985 PDXBROUYAKEQLZ-INIZCTEOSA-N 311.425 4.501 30 20 DJED N#CC1(CSCc2c(Cl)ccc3cccnc23)CCC1 419384909 KTGLWTXGBOFKEQ-UHFFFAOYSA-N 302.830 4.815 30 20 DJED CCCCCOc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1 430763078 PFYUCUMAPZCDBD-MRXNPFEDSA-N 300.446 4.600 30 20 DJED C[C@H](N[C@H](C)c1cccc(C2CC2)c1)c1ccc(C#N)c(F)c1 453244720 FKZCSUQNDCGGJT-KGLIPLIRSA-N 308.400 4.987 30 20 DJED N#CC1(CSCc2cc(Cl)ccc2Br)CC1 461248021 NSKCIJCNEXTWEC-UHFFFAOYSA-N 316.651 4.639 30 20 DJED CO[C@@H](CNc1ccc(C#N)c(Cl)c1)c1cccc(Cl)c1 462949416 VZGNYZBOUDEQPK-INIZCTEOSA-N 321.207 4.665 30 20 DJED CCC[C@](C)(CC)C(=O)Nc1cccc(OCCCC#N)c1 474975375 SROIKPKHJSJTNU-SFHVURJKSA-N 302.418 4.524 30 20 DJED C=CCCC1(C(=O)N2CCC[C@]3(CCCc4ccccc43)C2)CC1 476291956 XLKZGPHWFVLICC-JOCHJYFZSA-N 323.480 4.630 30 20 DJED CC(C)[C@H](NCc1ccc(C#N)c(F)c1)c1cc2ccccc2o1 484092130 HAWCKPWHJJFUTQ-FQEVSTJZSA-N 322.383 4.930 30 20 DJED CCCN(C(=O)c1ccc(C#N)s1)[C@@H](CC)c1ccccc1 486916754 UYOPOUJJJGEAPE-INIZCTEOSA-N 312.438 4.623 30 20 DJED CC[C@@H](CC(=O)Nc1ccc(CC#N)cc1)c1ccc(C)cc1 523100572 YDZCGWHYTRTDOV-KRWDZBQOSA-N 306.409 4.584 30 20 DJED C[C@@](C#N)(NC(=O)c1cc2cscc2s1)C1CCCCC1 528582100 NXMCDXUDRSYIIR-INIZCTEOSA-N 318.467 4.555 30 20 DJED CC(C)(C#N)CCCN[C@@H](c1cccc(F)c1)C1CCCC1 540429582 FMLUXHPRRCKGHI-GOSISDBHSA-N 302.437 4.977 30 20 DJED C[C@@H](CC(C)(C)c1c[nH]c2ccccc12)NCC1(CC#N)CC1 550932944 YXCYABJLTVSZDJ-HNNXBMFYSA-N 309.457 4.508 30 20 DJED C=CCC[C@H](NCc1cccc(CSC)c1)c1ccco1 560549081 VYFGFKRZGPZIRA-KRWDZBQOSA-N 301.455 4.940 30 20 DJED Cc1nsc(Nc2ccc3nc(C4CC4)sc3c2)c1C#N 571677418 WDTPXKSLOIRHCI-UHFFFAOYSA-N 312.423 4.554 30 20 DJED C=CCC(C)(C)c1noc([C@@H]2C[C@H]2c2ccccc2Cl)n1 577404741 NQKVXLSRCQZGOI-QWHCGFSZSA-N 302.805 4.848 30 20 DJED C[C@@H](NCc1ccc2sccc2c1)c1ccc(C#N)c(F)c1 580501967 XGOXCXJTIVTBRI-GFCCVEGCSA-N 310.397 4.763 30 20 DJED C=CCCC(=O)N[C@@H](CC(C)C)c1cccc(C(F)(F)F)c1 588377579 MPCREBBNNMSQKM-HNNXBMFYSA-N 313.363 4.875 30 20 DJED N#Cc1ccc(CNCc2ccc(C3CCC3)cc2)cc1Cl 590190390 AFIRISFRJHEUOT-UHFFFAOYSA-N 310.828 4.769 30 20 DJED Cc1cccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c1C 592973317 CUSQWWOSVOYNBX-AWEZNQCLSA-N 324.380 4.542 30 20 DJED CCCCN(C(=O)c1ccc(C#N)s1)[C@@H](C)c1ccc(C)o1 610519309 BIRBRIASIZNYPR-ZDUSSCGKSA-N 316.426 4.525 30 20 DJED Cc1ccc(-n2cc(C)cn2)c(N[C@H](C)c2cccc(C#N)c2)c1 611476736 KMABLWRUBYORTI-MRXNPFEDSA-N 316.408 4.534 30 20 DJED CC[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)c1nc(C)cs1 613420790 ULHZZAYRNZMCTM-CYBMUJFWSA-N 314.458 4.579 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2NCc1csc(Cl)c1Cl 618743125 XJTPOOLXCRSLDL-ZDUSSCGKSA-N 323.248 4.704 30 20 DJED COCCCC[C@@H](NCc1ccc(C#N)cc1C)c1ccccc1 619292048 SAXVJEPVZZVSNB-OAQYLSRUSA-N 322.452 4.514 30 20 DJED C=C(CN[C@H](c1ccc(F)cc1)c1cccnc1)c1ccccc1 680338719 GTZBXJQJUDEVNT-OAQYLSRUSA-N 318.395 4.613 30 20 DJED CSc1ccc2c(c1)CC/C(=C/c1cccnc1Cl)C2=O 728697850 XTAUOZOBGOEKLD-XFXZXTDPSA-N 315.825 4.669 30 20 DJED Cc1cc(C)cc(C(=O)/C=C\c2ccc(OC(F)F)cc2)c1 730436751 LVUPMCJWJLHCFN-YVMONPNESA-N 302.320 4.801 30 20 DJED Cc1ccccc1C1CC(=NNc2ccc3ccccc3n2)C1 743421167 QLSFBOMDRBHPHT-UHFFFAOYSA-N 301.393 4.889 30 20 DJED CCCCCCC[C@@H](C)CNC(=O)N(C)[C@@H](C)c1ccccn1 744280295 IWKCRYHYNMFKHE-SJORKVTESA-N 319.493 4.781 30 20 DJED COc1cc(/C=C/C(=O)c2c[nH]c3ccccc23)ccc1SC 746341749 HNHCBGFXZGODCQ-VQHVLOKHSA-N 323.417 4.795 30 20 DJED C=CCN(CC1CCCCC1)Cn1nc(C2CC2)sc1=S 746376929 JRAMSWNWJGJSQU-UHFFFAOYSA-N 323.531 4.577 30 20 DJED Fc1cccc(C=NOCc2ccc(C(F)(F)F)cc2)c1F 746575855 IYLGCNBEKWZEAG-UHFFFAOYSA-N 315.241 4.534 30 20 DJED N#Cc1ccc(COc2ccc(-c3ccccc3)cc2C=O)cc1 749457260 MBUKLVFPKUZHLB-UHFFFAOYSA-N 313.356 4.617 30 20 DJED CC(C)c1ncc(/C=C2\Cc3ccc(Cl)cc3C2=O)s1 762447217 NKBHOMZFTHJHPX-IZZDOVSWSA-N 303.814 4.742 30 20 DJED Cc1cc(/C=C2/C(=O)c3cccc4c3[C@@H]2CCC4)cnc1Cl 763289156 JWPQRPXIMBNWSZ-BRYYZUPOSA-N 309.796 4.743 30 20 DJED C=CC[C@@H](NCc1ccc(Oc2ccccc2)o1)c1ccncc1 779975358 FKOFIUGJNBDTFO-LJQANCHMSA-N 320.392 4.874 30 20 DJED Clc1ccc(Cl)c(NN=Cc2scnc2C2CC2)c1 782238263 GHFIHQONVHTQTO-UHFFFAOYSA-N 312.225 4.773 30 20 DJED CCCCCCCCCN(C)C(=O)c1c(C)noc1C1CC1 783925945 XOJWBPPNKHBDDB-UHFFFAOYSA-N 306.450 4.683 30 20 DJED COc1ccc2cc([C@H](C)SCCO[C@@H](C)C#N)ccc2c1 802750723 CFMXEWKAIGHQGM-KBPBESRZSA-N 315.438 4.571 30 20 DJED C#CCCCCCC(=O)N1CCC[C@H](c2ccc(CC)cc2)C1 803610785 QNFGPHUAHIZORC-FQEVSTJZSA-N 311.469 4.539 30 20 DJED C#C[C@@H](NCc1ccc(C(F)F)cc1)c1ccc(Cl)cc1F 809698486 DUHSTPVLTHJQEK-MRXNPFEDSA-N 323.745 4.881 30 20 DJED Cc1ccc(-c2n[nH]cc2/C=C\C(=O)c2ccc(F)cc2F)cc1 810227273 BCFXUCHFFKXXTH-TWGQIWQCSA-N 324.330 4.559 30 20 DJED CC(C)Oc1ccccc1C=NOCc1ccc(Cl)cc1 852284575 MIJQYUDBYRKMCU-UHFFFAOYSA-N 303.789 4.678 30 20 DJED N#CCn1c(-c2nc(C3CCCCCC3)no2)cc2ccccc21 904678788 BGXCUIAPEQGEEC-UHFFFAOYSA-N 320.396 4.653 30 20 DJED C=CCN(C(=S)Nc1ccc(SC(F)F)cc1)C(C)C 917589026 FUUOETUQHQXDIB-UHFFFAOYSA-N 316.442 4.595 30 20 DJED CCC1CC(=O)C(=CNc2ccccc2-c2ccccc2)C(=O)C1 920977084 XOJMESIAOXITEX-UHFFFAOYSA-N 319.404 4.608 30 20 DJED C=CCCO[C@H](C)C(=O)O[C@@H](C)c1ccc(Cl)c(Cl)c1 921218924 MOFFKHGDUOQOTD-WDEREUQCSA-N 317.212 4.579 30 20 DJED CCC(CC)[C@@H](NC(=O)c1csc(C#N)c1)c1ccccc1 1124961638 KWFVNVHTRCBCOA-QGZVFWFLSA-N 312.438 4.527 30 20 DJED Cc1ccccc1[C@H](CC(C)C)NC(=O)c1cccc(C#N)c1C 1126065823 POGXUXDUNNMSER-FQEVSTJZSA-N 320.436 4.692 30 20 DJED CC(C)Sc1ccc(C(=O)Nc2cccc(CC#N)c2)cc1 1128984290 YEKZOMYSNKEQMJ-UHFFFAOYSA-N 310.422 4.505 30 20 DJED C[C@@H]1CCC[C@H](CNc2c(Br)cccc2C#N)C1 1162267029 OKEYLKQNAIUZOK-NEPJUHHUSA-N 307.235 4.559 30 20 DJED N#Cc1c(F)cccc1N1CC2(CCCC2)c2cccc(F)c21 1163041663 HIIYUYKPXRYDQJ-UHFFFAOYSA-N 310.347 4.800 30 20 DJED N#CC1(CCN2CCSC[C@@H]2c2ccccc2)CCCCC1 1191039933 UCFIJTCEZZFVQD-GOSISDBHSA-N 314.498 4.641 30 20 DJED N#Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2c2ccccc2)c(Cl)c1 1266045409 WFFMWOWWCHPFLL-JKSUJKDBSA-N 324.811 4.734 30 20 DJED O=C1/C(=C/c2ncc(-c3ccccc3)[nH]2)Cc2ccc(Cl)cc21 1320866589 ZYCYQJYZNVLOPT-NTEUORMPSA-N 320.779 4.553 30 20 DJED Cc1cccc([C@H](C)SCCC(=O)Nc2cccc(C#N)c2)c1 1339563025 VDYDDGLBBVLRRM-HNNXBMFYSA-N 324.449 4.690 30 20 DJED CC(C)C[C@H](C)CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1349230237 DHCRFSVRWTYMQS-STQMWFEESA-N 318.486 4.755 30 20 DJED N#CCC[C@H](NC(=O)[C@H]1CC[C@H](C2CCC2)CC1)c1ccccc1 1357213122 SLZRICLOXAMHFM-IHPCNDPISA-N 324.468 4.754 30 20 DJED CC(C)CCN(CCC#N)C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 1443570224 DFTFGRCILMLDJU-IRXDYDNUSA-N 306.494 4.627 30 20 DJED CC[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(C#N)cc1F 1461935006 CVLWURHNTJWSQX-PZJWPPBQSA-N 322.427 4.856 30 20 DJED CC(C)c1ccc(C[C@@H](C)Nc2c(C#N)cccc2C#N)cc1 1472731929 DWXJMZOSETUCFN-OAHLLOKOSA-N 303.409 4.596 30 20 DJED CCc1cc(C#N)c(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)s1 1526349288 YDZXORBREODIEL-HZSPNIEDSA-N 316.470 4.727 30 20 DJED C=C(CNC(=O)CCc1ccc(C(C)C)cc1)c1ccccc1 1527981191 JGYJLIDRGHEGPH-UHFFFAOYSA-N 307.437 4.572 30 20 DJED CCCc1sc(C(=O)O[C@H]2CCC[C@H](C#N)C2)cc1CC 1528080813 KRECZVWQTUFFAF-JSGCOSHPSA-N 305.443 4.502 30 20 DJED CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1sc2c(c1C#N)CCCCC2 1530061567 CKZJOWUTJDAXJK-KBXCAEBGSA-N 316.470 4.509 30 20 DJED Cc1cc(CNc2ccc(CC#N)cc2)ccc1C(F)(F)F 1560279204 HBZSSHCZPGFTQF-UHFFFAOYSA-N 304.315 4.692 30 20 DJED Cc1cc(C(F)(F)F)cc(C)c1NC(=O)c1csc(C#N)c1 1597287835 YPAYAXDNQBJZBU-UHFFFAOYSA-N 324.327 4.508 30 20 DJED CC(C)(C)C[C@H]1CCN(c2nc(Cl)c(C#N)s2)C1(C)C 1612606919 JYKVUIGOJMDTCC-SNVBAGLBSA-N 311.882 4.709 30 20 DJED CC(C)c1ccc2c(c1)[C@@H](Nc1ccc(Cl)c(C#N)n1)CC2 1639820276 JUNXHLAUEUFQHR-INIZCTEOSA-N 311.816 4.829 30 20 DJED Cc1cc(C)cc(C2=CCN(c3ncc(C#N)cc3Cl)CC2)c1 1642453604 NMFDOGLPHYTUAY-UHFFFAOYSA-N 323.827 4.517 30 20 DJED C[C@H](CNc1c(C#N)cnc2c(Cl)cccc12)c1ccccc1 1642548779 ZOXNRNZNAVJJOI-CYBMUJFWSA-N 321.811 4.975 30 20 DJED C=C(Cl)CN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 1643057502 VQNRLHAXTYDDED-ZDUSSCGKSA-N 303.755 4.637 30 20 DJED Cc1cccc(-n2ccnc2S[C@@H](C#N)C2CCCCC2)c1 1651666183 MLXIYQBJYZYHEM-KRWDZBQOSA-N 311.454 4.745 30 20 DJED C=C(Br)CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C 1657956610 DHHYMEGADPBZOM-OWYVNGRQSA-N 314.654 4.535 30 20 DJED Cc1ccc([C@H]2CCC[C@H]2N(C)Cc2cccc(F)c2C#N)cc1 1658827030 DAWDDUAFDSZYLT-WIYYLYMNSA-N 322.427 4.774 30 20 DJED CCC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C#N)cc1Cl 1659884435 YNZOSLGCPVBEGE-DZGCQCFKSA-N 319.836 4.692 30 20 DJED C[C@H]1C[C@@H](N(CCC#N)CC(C)(C)C)c2ccsc2S1 1663721839 NQRRLUGMIKVQAZ-GXTWGEPZSA-N 308.516 4.935 30 20 DJED CC[C@H](C)c1ccc(C(=O)/C=C\c2ccc(C(=O)O)cc2)cc1 1776697827 PILPATBEFWWZOT-XMRSSTEGSA-N 308.377 4.794 30 20 DJED O=C(O)c1ccc(-c2ccc(/C=C/C(=O)c3ccco3)cc2)cc1 1777671200 RNGOGPXZSUQUTC-LFYBBSHMSA-N 318.328 4.541 30 20 DJED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1cccc(C#N)c1 43329656 HEIGFEKDJCIAEI-ZDUSSCGKSA-N 319.364 4.529 30 20 DJED C[C@H](c1cc2ccccc2o1)N(C)Cc1cc(C#N)ccc1F 44089904 HPSKKSYLCNBYJK-CYBMUJFWSA-N 308.356 4.637 30 20 DJED COc1ccc(C(=O)/C=C/c2ccc(OC(C)C)cc2)cc1F 59269929 JXDDRHDLOVXALU-UXBLZVDNSA-N 314.356 4.518 30 20 DJED C[C@@H](c1ccc(Cl)cc1Cl)N(C)CCCSCC#N 74980965 GXQKJBSVNWINCC-NSHDSACASA-N 317.285 4.633 30 20 DJED Cc1nc(-c2cccc(NCc3ccc(C#N)s3)c2)cs1 155739047 BVDOWAUQWDXVFM-UHFFFAOYSA-N 311.435 4.664 30 20 DJED Cc1cccc2c1[C@H](C)/C(=C\c1ccc(O[C@@H](C)C#N)cc1)C2=O 179451914 XAYXOCLMHPDQPP-RBXCXTNXSA-N 317.388 4.669 30 20 DJED CCSc1ccc([C@H](C)NCc2ccc(C#N)cc2C)cc1 186321880 KUBCYAABBZZMMV-HNNXBMFYSA-N 310.466 4.830 30 20 DJED COc1cccc2cc(C(=O)/C=C\c3cc(F)ccc3F)oc12 206965003 ZPBSOSSKUQYRIO-YVMONPNESA-N 314.287 4.616 30 20 DJED C=C(Br)CN[C@H](C)c1cccc(Cl)c1Cl 235202859 JOKJGZMFOAPCHD-MRVPVSSYSA-N 309.034 4.553 30 20 DJED N#CCCCOc1cccc(NC2CC(c3ccccc3)C2)c1 237826594 BVZHBPFJKWUOEW-UHFFFAOYSA-N 306.409 4.727 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1ccc(SC)cc1 277447578 UXMBIUVPXOWTAK-INIZCTEOSA-N 323.502 4.702 30 20 DJED CC(C)(C#N)CC(=O)Nc1ccccc1SC1CCCC1 278578743 RNVZQUBBWFZGGA-UHFFFAOYSA-N 302.443 4.600 30 20 DJED C[C@H](Nc1ccc(C#N)cc1F)c1ccc(C(F)(F)F)cc1 317306418 UUBVUUXMBQFQHT-JTQLQIEISA-N 308.278 4.889 30 20 DJED C[C@H](/N=C(/O)CCc1nc2ccccc2o1)[C@@H]1C[C@H]2CC[C@H]1C2 328911445 GJLFFCCTXXHFMV-AJNGGQMLSA-N 312.413 4.542 30 20 DJED CC(C)c1cc(/C(O)=N/[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)no1 329930311 ZPEADIOMJCXJTH-UKRRQHHQSA-N 316.376 4.578 30 20 DJED C[C@H](NCc1ccc(C#N)s1)c1cc(Cl)sc1Cl 421883973 QNGUBZXYLCADJB-ZETCQYMHSA-N 317.266 4.839 30 20 DJED Cc1c(C(=O)N(C)[C@H](C)c2ccco2)sc2ccc(C#N)cc12 429801886 BJEOQSUVQXTSFK-GFCCVEGCSA-N 324.405 4.508 30 20 DJED CCSc1cccc(NC(=O)Nc2cccc(C#N)c2C)c1 432275728 DWETUDREBUMPHP-UHFFFAOYSA-N 311.410 4.623 30 20 DJED CCC[C@@H](NC(=O)Nc1cccc(C#N)c1C)c1ccccc1 432286972 QBMGFYKRYAZHMR-GOSISDBHSA-N 307.397 4.530 30 20 DJED C[C@H](N[C@H]1CCC[C@@H](C#N)C1)C(c1ccccc1)c1ccccc1 447538119 ALSDETQARZROAQ-UEXGIBASSA-N 318.464 4.879 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2c(C)cc(C)nc2C)CCCC1(C)C 455527685 QMJLIQRMBWPYML-INIZCTEOSA-N 315.461 4.605 30 20 DJED CC[C@H](c1ccccc1)N(CC)C(=O)[C@H](C)c1cccc(C#N)c1 461991205 PPLBVOIFVZZIDD-OXQOHEQNSA-N 320.436 4.662 30 20 DJED N#C[C@@H]1CCC[C@@H](NCC2(Sc3ccccc3)CCCC2)C1 463290528 KGGVUOJSPNEKDU-IAGOWNOFSA-N 314.498 4.763 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)N[C@@H]2CCCCC2(C)C)cc1 466517594 VXFJKLBLBIIUOW-MRXNPFEDSA-N 313.445 4.578 30 20 DJED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC(C)(C)C 467114350 RRHIFCNQKAYCCK-UHFFFAOYSA-N 323.396 4.579 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccccc1COc1ccccc1 467359314 RRGQLQHAECZUHY-UHFFFAOYSA-N 321.420 4.973 30 20 DJED CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 476078996 IVBYCGKZLPQUTH-MAUKXSAKSA-N 312.457 4.529 30 20 DJED Cc1ccc([C@H](C)N[C@H]2CCCCc3cc(C#N)ccc32)cc1 481919117 ICNSMAOHXHGVAI-KKSFZXQISA-N 304.437 4.985 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1cc(C(C)(C)C)on1 485390227 XMZUJOGLZOZTNF-UHFFFAOYSA-N 319.449 4.572 30 20 DJED C=CCC[C@H](C(=O)Nc1ccc(OC)c(F)c1)c1ccccc1 488675967 OEQOEPJZXUPHRJ-INIZCTEOSA-N 313.372 4.523 30 20 DJED N#C[C@@H](NC(=O)CC1=CCCCC1)c1c(Cl)cccc1Cl 505539763 JBLPIWBJZUPCFK-CQSZACIVSA-N 323.223 4.565 30 20 DJED CC[C@H](C)CCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 512097864 GLVSBSVALYOQFT-GWCFXTLKSA-N 313.228 4.501 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)[C@@H](C)CC 523473586 CPNBETYFNNNCHP-NWDGAFQWSA-N 314.882 4.534 30 20 DJED C=CC[C@H](C)N[C@H](C)c1ccc(OC(F)F)cc1OC(F)F 540170956 NIIZAUCLBFWFTP-VHSXEESVSA-N 321.314 4.505 30 20 DJED CC(C)(C#N)CCN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 549078254 QCTSHMCPKVGEDB-OAHLLOKOSA-N 310.363 4.686 30 20 DJED N#Cc1ccc2c(c1)[C@H](NC[C@H]1CCC[C@H](C(F)(F)F)C1)CC2 589340483 FOIIOIWURLWXKB-JLJPHGGASA-N 322.374 4.504 30 20 DJED CCCC(C)(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 593058218 IWRAHLXGFMWBII-ZDUSSCGKSA-N 304.459 4.703 30 20 DJED N#CC[C@H]1CCCN(Cc2ccc(-c3ccc(F)cc3)s2)C1 597173637 LLXQZEXXTGUHHC-CQSZACIVSA-N 314.429 4.680 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(Cl)c(Cl)c1 618741723 LMYOEWHFEGIOLT-KRWDZBQOSA-N 317.219 4.642 30 20 DJED CC(=O)c1c(C)cc(C)c(CN[C@@H](C)c2cccc(C#N)c2)c1C 678764890 XAUGLZDFJVHRBS-INIZCTEOSA-N 320.436 4.537 30 20 DJED C=CCOc1ccc(/C=C/C(=O)c2ccc(C#N)cc2)cc1Cl 727263565 DSNOMXWRTVCXNM-WEVVVXLNSA-N 323.779 4.673 30 20 DJED CCCCCCCCCN(C)C(=O)N[C@H](C)c1c(C)noc1C 733803294 SEBNUMUBCUZDEP-CQSZACIVSA-N 323.481 4.744 30 20 DJED C=CCN(C(=O)Nc1cccc(Cl)c1OC(C)C)C(C)C 735753756 PMUBZKFIAONJBC-UHFFFAOYSA-N 310.825 4.556 30 20 DJED COc1ccc(/C=C/C(=O)c2cccc(-c3ccncc3)c2)cc1 741474354 XRBSVGUDMPWGSC-JXMROGBWSA-N 315.372 4.653 30 20 DJED C#CCCCC(=O)N[C@H](CCC=C)c1ccc(C(F)(F)F)cc1 758856977 VNSDCCQKPRJKQN-MRXNPFEDSA-N 323.358 4.632 30 20 DJED O=C(/C=C\c1cnc(C2CCC2)s1)c1ccc(F)cc1F 760262884 LYXDSDAMSZSVBP-ALCCZGGFSA-N 305.349 4.585 30 20 DJED O=C(/C=C/c1nc2ccc(F)cc2s1)c1ccccc1Cl 761476580 SSZMULYHNLAPND-BQYQJAHWSA-N 317.772 4.985 30 20 DJED CCCCCCCC(=O)OCc1nnc(-c2ccccc2)s1 766696428 HLMGAUIYENUINT-UHFFFAOYSA-N 318.442 4.609 30 20 DJED CCC(=NNc1cccc(C#N)c1)c1c(F)cccc1Cl 767766233 YZDHWSVBFAUUDG-UHFFFAOYSA-N 301.752 4.577 30 20 DJED O=C(/C=C\c1ccc(Cl)c(C(F)(F)F)c1)c1cscn1 776191474 CYALXLQZHYVSDY-RQOWECAXSA-N 317.719 4.711 30 20 DJED O=C1/C(=C\c2nccc3ccccc23)COc2ccc(Cl)cc21 783713819 AKAPRYIWBLMTMU-LCYFTJDESA-N 321.763 4.547 30 20 DJED CCSc1cccc(/C=C\C(=O)c2coc(C(C)C)n2)c1 806558147 UBWMYPYEQFMTBL-HJWRWDBZSA-N 301.411 4.806 30 20 DJED COc1cc(Cl)c(N[C@@H](C)c2ccc(C#N)cc2)cc1C 808723903 RECUXZNMMWRJLP-LBPRGKRZSA-N 300.789 4.702 30 20 DJED CC(C)N(C(=O)/C=C/c1ccccc1C#N)[C@@H](C)c1ccsc1 817485981 SBTMVSNUOSFWGG-HVHJFMEUSA-N 324.449 4.631 30 20 DJED C#CCCCCC(=O)N1CC2(CCCCC2)[C@@H]1c1ccccc1 838059070 INUAFSOHYZEPGE-FQEVSTJZSA-N 309.453 4.714 30 20 DJED C=C(Cl)CS[C@H](C)C(=O)Nc1c(CC)cccc1CC 853782876 CCYVLRYMJRIODZ-GFCCVEGCSA-N 311.878 4.624 30 20 DJED CC[C@H](N[C@H]1CCCOc2ccccc21)c1cccc(C#N)c1 902784272 RUPRMMDWUIYJNT-OALUTQOASA-N 306.409 4.513 30 20 DJED Cc1noc(C)c1/C=C\C(=O)c1ccc(OCCC(C)C)cc1 916151119 ZLAJEJNHOAANQT-KTKRTIGZSA-N 313.397 4.612 30 20 DJED Cc1nn(-c2ccccc2)c(C)c1C=NNc1ccccc1Cl 916262780 YWNPPEICQHKJJE-UHFFFAOYSA-N 324.815 4.589 30 20 DJED CCC/C(C)=C\C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 920325138 ZNJPMYWJKOEUAG-MQGYJPLLSA-N 318.829 4.872 30 20 DJED C[C@H](C#N)OCCN(C1CC1)[C@H]1CCCC[C@@H]1C1CCCCC1 1167549641 PDPYCWGAZHZHNQ-AHRSYUTCSA-N 318.505 4.519 30 20 DJED CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NCC1(CC#N)CC1 1170581694 COOKWDZFHFRQHM-QGZVFWFLSA-N 304.865 4.581 30 20 DJED CCN(Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCCC[C@@H]1C 1193413420 NJEDSUMLXVIHIG-XJKSGUPXSA-N 322.399 4.560 30 20 DJED Cc1ccc(C#N)cc1NC(=O)NCC1(CC(C)C)CCCC1 1215555532 AVEGSUJGGLEPFF-UHFFFAOYSA-N 313.445 4.595 30 20 DJED C=CC(C)(C)c1nnc([C@H](C)Oc2ccc3ccccc3c2)o1 1327837129 BJNZQAKRYNCEFH-ZDUSSCGKSA-N 308.381 4.826 30 20 DJED CCC[C@H](CC(C)C)C(=O)N(C)[C@@H](C#N)c1ccc(CC)cc1 1436561657 YMELLWWPJSKLOV-MOPGFXCFSA-N 314.473 4.734 30 20 DJED N#C[C@@H]1CCC[C@@H](OC(=O)c2sccc2-c2ccccc2)C1 1436649635 QCBQVLLUFFTSHK-UKRRQHHQSA-N 311.406 4.654 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(C)(C)C1CCCCC1 1436970634 SEWZQVWCNFHYKX-OAHLLOKOSA-N 312.457 4.684 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@]1(C)CC[C@H](C)C1(C)C 1526208952 JOQGNPQWEFAYIT-AVYPCKFXSA-N 312.457 4.540 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)c1cccc2ncccc12 1528322421 LXDNOFHEVHRAIQ-UHFFFAOYSA-N 323.355 4.512 30 20 DJED COc1cc(C#N)ccc1CS[C@H](C)c1ccccc1OC 1559376315 FYJWPCCVCVGDGJ-CYBMUJFWSA-N 313.422 4.570 30 20 DJED N#Cc1cnc(N2CCC[C@H]2CCC2CCCC2)c(Cl)c1 1612132247 RPRRKEOKDOKTPR-HNNXBMFYSA-N 303.837 4.546 30 20 DJED CCCN(CCC(C)(C)C#N)Cc1ccccc1Br 1641617170 BMJZELMWYIBDRB-UHFFFAOYSA-N 323.278 4.601 30 20 DJED Cc1c(Cl)cnc(N[C@H]2CCc3c(Cl)cccc32)c1C#N 1650673730 AWYDJNHAGDXNRV-HNNXBMFYSA-N 318.207 4.668 30 20 DJED CCc1ccc([C@@H](Nc2ncc(C#N)cc2Cl)C(C)C)cc1 1651315329 AKZXEPLBGCQOQL-KRWDZBQOSA-N 313.832 4.978 30 20 DJED Cc1ccccc1COc1cccc(Nc2cccc(C#N)n2)c1 1651508526 OMFGGCAPXQVJTB-UHFFFAOYSA-N 315.376 4.584 30 20 DJED CC(C)CN(C[C@H]1CCC2(CCCC2)O1)c1ccc(C#N)cc1 1657657773 UOYCRNXAODGCMZ-LJQANCHMSA-N 312.457 4.512 30 20 DJED CC1(C)CN(Cc2ccc(C#N)cc2Cl)[C@H]1c1cccs1 1658886527 LKBZHFWNSYLOSJ-INIZCTEOSA-N 316.857 4.856 30 20 DJED CC[C@@H](NC(=O)Nc1sccc1C#N)c1ccc(Cl)cc1 1673278203 DEWSVHXGWVZSBL-CYBMUJFWSA-N 319.817 4.546 30 20 DJED CC[C@@H](NCCCC(C)(C)C#N)c1ccccc1OC(F)F 179715157 DIXTZLGVFBVEPR-CQSZACIVSA-N 310.388 4.659 30 20 DJED C=CCn1c(SCc2ccc(C(F)F)cc2)nnc1C1CC1 185729288 IAUVZDSTVWLXBB-UHFFFAOYSA-N 321.396 4.571 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1cnn(-c2ccccc2)c1C(C)C 191531507 KWRCWRIZMIRCML-IBGZPJMESA-N 311.429 4.537 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N(C)Cc1cccc(C(F)(F)F)c1 195732366 OHCZXMBBBIIDFZ-ZDUSSCGKSA-N 318.342 4.770 30 20 DJED C=CCOc1ccc(CN[C@@H](CC)c2cc(F)ccc2F)cc1 236943634 FSDDYOOKJAMTPM-IBGZPJMESA-N 317.379 4.771 30 20 DJED Cc1ncsc1CCNc1ccccc1S[C@H](C)CC#N 285180222 NOPOZXHNSCTUHM-GFCCVEGCSA-N 317.483 4.500 30 20 DJED CCCCCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 324825634 AUOUKNTZTRDDDI-QGZVFWFLSA-N 322.452 4.978 30 20 DJED Cc1nc(C2CC2)oc1/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 329780261 MMKQKGFZCAVBIY-NWANDNLSSA-N 302.418 4.524 30 20 DJED CCO[C@H](C)c1nc(CSc2ccc(C#N)cc2F)cs1 358061107 VCZWCIDMFGNOLH-SNVBAGLBSA-N 322.430 4.544 30 20 DJED C[C@@H](CCC#N)N1CCC(Sc2ccc(Cl)cc2)CC1 411397464 HLHVOHKYMAGNKV-ZDUSSCGKSA-N 308.878 4.589 30 20 DJED CC(=O)c1c(C)cc(C)c(CSCC2(C#N)CCC2)c1C 419348950 SRWXPKRVJALUAD-UHFFFAOYSA-N 301.455 4.742 30 20 DJED C[C@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(C#N)cc1Cl 439425552 URCPMRQSXVBGHZ-LLVKDONJSA-N 320.770 4.683 30 20 DJED N#C[C@H]1CC[C@@H](Sc2nnc(-c3ccc4ccccc4c3)o2)C1 450810680 MXCVDJABCWMLMU-BLLLJJGKSA-N 321.405 4.674 30 20 DJED C=CCC(CC=C)C(=O)N(Cc1ccc(OCC)cc1)C(C)C 467827174 UNKVEFWVUOKIDY-UHFFFAOYSA-N 315.457 4.591 30 20 DJED C=CCN(CC=C)C(=O)Nc1cccc(COC(C)(C)C)c1C 475974915 IRHJMGSEJYOEJA-UHFFFAOYSA-N 316.445 4.516 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1c(C)cccc1C 484970174 JSGKFLOKSBZHLP-UHFFFAOYSA-N 300.446 4.904 30 20 DJED CCCCN(C(=O)c1ccc(C#N)cc1)[C@@H](C)c1ccccc1 498809911 BEQKFIIYHUTWSX-INIZCTEOSA-N 306.409 4.562 30 20 DJED CC(C)CN(C(=O)c1sccc1Cl)c1ccc(C#N)cc1 508572758 XGEIBGBWCXDMOA-UHFFFAOYSA-N 318.829 4.576 30 20 DJED Cc1nc(C)c(C#N)c(S[C@@H](C)c2cccc3ccccc23)n1 518482169 YYTZICFXKNYBFE-ZDUSSCGKSA-N 319.433 4.972 30 20 DJED C=C(C)CN(C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C 524610953 QMHRCFYQWRPTQZ-HNNXBMFYSA-N 300.471 4.996 30 20 DJED C[C@@H](c1ccc(Cl)cc1)N(Cc1cccc(C#N)c1)C1CC1 550351052 UXSDYSORHDMWSY-AWEZNQCLSA-N 310.828 4.937 30 20 DJED CCC(C)(C)c1ccc(C[S@@](=O)CCC(C)(C)C#N)cc1 551924032 BTCAIUPOLUATIK-NRFANRHFSA-N 305.487 4.563 30 20 DJED C=CCC[C@H](CC)Nc1ccc(F)cc1OC1CCOCC1 556914450 IZSWETRANFUSDK-HNNXBMFYSA-N 307.409 4.540 30 20 DJED C[C@H](Nc1ccc(F)cn1)c1ccc(-c2cccc(C#N)c2)cc1 565146559 XHLZVPLQRXPPDI-AWEZNQCLSA-N 317.367 4.932 30 20 DJED C=CCC[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 565924880 ZPDDRFGEIXTZIP-NHCUHLMSSA-N 302.421 4.843 30 20 DJED C[C@@H](NCc1ccc2sccc2c1)c1ccc(C#N)cc1F 570438660 JHSZJJUKVVCCHH-GFCCVEGCSA-N 310.397 4.763 30 20 DJED N#CCCCCCC(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1 590884019 XBOZRILPDKPNKX-RTBURBONSA-N 312.457 4.551 30 20 DJED CC[C@@H](C)[C@@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1 604419119 LHPRLZKWRRJAOT-IAGOWNOFSA-N 322.452 4.661 30 20 DJED CC(C)Cc1ccc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)cc1 647375718 DEDGJSZGJSAXHN-MRXNPFEDSA-N 324.449 4.709 30 20 DJED N#C[C@H](C(=O)c1cccc(C2CCC2)c1)c1nc(C2CC2)cs1 647379489 NCWWUCOJBFXNEM-MRXNPFEDSA-N 322.433 4.778 30 20 DJED Cc1cccc2c1C/C(=C\c1cc(Br)cs1)C2=O 729151374 RVVZXAOBBBCXOO-BJMVGYQFSA-N 319.223 4.641 30 20 DJED CCC(Cc1cccs1)=NNc1ccc(OC(F)F)cc1 730946632 GCMFHCUEEJSZRN-UHFFFAOYSA-N 310.369 4.770 30 20 DJED Cc1ccc(F)c(/C=C/C(=O)c2ccccc2OC(F)F)c1 734980980 LIHATIPANJYQSV-VQHVLOKHSA-N 306.283 4.632 30 20 DJED C=C(C)CN[C@H](c1cccc(SC)c1)c1cc(F)ccc1F 742264105 PSMHEVYYARGBBF-GOSISDBHSA-N 319.420 4.942 30 20 DJED COc1ccc2cc(C(=O)/C=C/c3ccc(Cl)nc3)ccc2c1 748993578 AKUBRBNEAXFXHM-KRXBUXKQSA-N 323.779 4.793 30 20 DJED C[C@@H](N[C@H](C)c1cc2c(cc1O)CCCC2)c1cccc(C#N)c1 756625324 JKHBATLYMWHYOF-HUUCEWRRSA-N 320.436 4.554 30 20 DJED CC(C)Cc1ccc(C[S@@](=O)CCCCC(C)(C)C#N)cc1 766873516 OFHFQESFKGRLFH-QFIPXVFZSA-N 319.514 4.854 30 20 DJED CSc1cccc(F)c1CNc1nc2ccccc2cc1C#N 804774101 BUYOECLUSGVYQS-UHFFFAOYSA-N 323.396 4.580 30 20 DJED Cc1cc(/C=C\C(=O)c2csc(C(C)C)n2)cnc1Cl 812244079 YQUNCZHOOKBVKL-PLNGDYQASA-N 306.818 4.519 30 20 DJED C=CC[C@H](NC(=O)C[C@@H](C)CCC=C(C)C)c1ccncc1 843548663 HBXFEXMKUSMKDS-WMZOPIPTSA-N 300.446 4.588 30 20 DJED CN(C(=O)Nc1ccc(CC#N)cc1)c1ccc(C(C)(C)C)cc1 847109682 VBGHDRPTWDJZNE-UHFFFAOYSA-N 321.424 4.718 30 20 DJED CCCCCCCCC(=O)N1CC=C(c2ccc(O)cc2)CC1 916733522 RPEUZLUCIBDKFK-UHFFFAOYSA-N 315.457 4.759 30 20 DJED Oc1cccc(C=Nc2ccc(Nc3ccccc3)cc2)c1O 920943037 LGPBAZYHMOODJR-UHFFFAOYSA-N 304.349 4.592 30 20 DJED CCOc1cccc(Cl)c1COc1ccc(C#N)cc1Cl 1165353275 DOVSUUNUHRUSKQ-UHFFFAOYSA-N 322.191 4.843 30 20 DJED COc1cccc(CSc2ccc(C#N)c(C(F)(F)F)c2)c1 1165909225 GYFOQGJIZJQDNY-UHFFFAOYSA-N 323.339 4.878 30 20 DJED Cc1cccc(C2(CNc3ncccc3C#N)CCCCC2)c1 1184893752 XPHZVUYMTJNUNE-UHFFFAOYSA-N 305.425 4.576 30 20 DJED CSc1ccccc1C(=O)/C=C\c1ncc(-c2ccccc2)[nH]1 1321180185 QZFQEYALMSTJKN-QXMHVHEDSA-N 320.417 4.695 30 20 DJED Cc1ccc(C)c2c1OCCC2=NNc1nccc2sccc12 1321993593 UVHFERYHYLRKSN-UHFFFAOYSA-N 323.421 4.512 30 20 DJED N#Cc1csc(CN2C[C@H]3CCCC[C@]32c2ccccc2)c1 1324776404 OHOOPNGIZDZXAN-MJGOQNOKSA-N 308.450 4.521 30 20 DJED CC[C@H](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1354317106 XWJXWBONBHEQAZ-RYUDHWBXSA-N 304.459 4.509 30 20 DJED N#Cc1ccc(C(=O)N(c2ccccc2)C2CCCCC2)c(F)c1 1355341071 HCVBAHJDMGJYGW-UHFFFAOYSA-N 322.383 4.677 30 20 DJED CC[C@H](CC#N)NC(CCc1ccccc1)CCc1ccccc1 1462052395 LZHAGHPSQVBMOB-OAQYLSRUSA-N 320.480 4.902 30 20 DJED CC[C@H](C)c1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1 1472978711 RCMCOMJSECKTNI-AWEZNQCLSA-N 324.449 4.803 30 20 DJED N#CC1(CCN(Cc2cccc(F)c2)C2CC2)CCCCC1 1473112245 MNZYHUMDSQAIDS-UHFFFAOYSA-N 300.421 4.654 30 20 DJED CCc1ccc([C@H](NCc2cc(C#N)ccc2OC)C(C)C)cc1 1473256286 NZLOLPLHXKMTJO-OAQYLSRUSA-N 322.452 4.616 30 20 DJED CC(C)[C@@H]1c2ccccc2CCN1C(=O)CC1(C#N)CCCCC1 1517299069 JRDMYUYUMNMVOW-HXUWFJFHSA-N 324.468 4.633 30 20 DJED CN(c1ccc(Cl)c(C#N)n1)C1CCC(C(C)(C)C)CC1 1559084210 MKNYSBZWWSJUEM-UHFFFAOYSA-N 305.853 4.648 30 20 DJED CC(C)(C)OCc1ccccc1NCc1ccc(C#N)cc1F 1560595316 VUNKQMFKWRGJSG-UHFFFAOYSA-N 312.388 4.625 30 20 DJED CC(C)[C@H](CCc1ccccc1)C(=O)Nc1cc(F)cc(C#N)c1 1624291557 PAZQWWFVPZUZSQ-IBGZPJMESA-N 324.399 4.541 30 20 DJED Cc1nc(N2CC[C@@H](C)C3(CCCCC3)C2)c(Cl)cc1C#N 1639817138 UQXFKCZZSIPYCT-CYBMUJFWSA-N 317.864 4.712 30 20 DJED CC(C)Oc1cccc([C@H](C)NCCC2(C#N)CCCCC2)c1 1642496092 RHBPGBFIVFDWBO-KRWDZBQOSA-N 314.473 4.989 30 20 DJED Cc1nc(C(C)C)ccc1CSc1cccc(F)c1C#N 1652011239 WWSVTAGCXXNSEC-UHFFFAOYSA-N 300.402 4.817 30 20 DJED Cc1cc(C#N)ccc1CN[C@@H]1CCCC[C@@H]1Cc1ccccc1 1658355263 MAYJWNMTTHEZGP-IFMALSPDSA-N 318.464 4.758 30 20 DJED Cc1cccc(C)c1[C@@H]1CCCN1Cc1ccc(OCC#N)cc1 1659383696 IPBABZBRVPXSNP-FQEVSTJZSA-N 320.436 4.543 30 20 DJED CC(C)(CC#N)CN[C@@H](CCc1ccccc1)Cc1ccccc1 1659422257 KRVFHWQAQNQDGB-NRFANRHFSA-N 320.480 4.760 30 20 DJED Cc1c(NN=C2CCC[C@H]2Cc2ccccc2)cccc1C(=O)O 1776087133 KDVPFPZMMQGKOF-INIZCTEOSA-N 322.408 4.504 30 20 DJED Cc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)O 1776119916 PGGYMMAUHASIOR-KPKJPENVSA-N 322.404 4.887 30 20 DJED C=CCN(C(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 60525566 DMKIEUKLUNJWPJ-UHFFFAOYSA-N 306.192 4.826 30 20 DJED C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(CCCCC#N)C1 129133737 FRWMSABKVOYSAH-CJNGLKHVSA-N 310.363 4.782 30 20 DJED CC[C@@H](SCC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 156442760 KCRKSRQBCXDZEE-GOSISDBHSA-N 324.449 4.576 30 20 DJED C=C(C)CN(CC)C(=O)N[C@@H](c1ccccc1)C1CCCC1 195565242 VMZDPEMSYQPARR-SFHVURJKSA-N 300.446 4.526 30 20 DJED C=C(C)C(C)(C)C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 424824723 JQZQHQAXQMFGLC-HNNXBMFYSA-N 324.424 4.653 30 20 DJED C=C(C)C(C)(C)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C 425478629 CMTQJVCDUKIXMN-UHFFFAOYSA-N 316.445 4.520 30 20 DJED C=CCCCCCN(C)C(=O)Nc1cc(Cl)cc(F)c1F 442186759 UDHNFSBOPXBHAR-UHFFFAOYSA-N 316.779 4.828 30 20 DJED N#Cc1ccc(/C=C/c2nc(-c3coc4ccccc34)no2)cc1 445577780 WXXOAODEYNQUIX-MDZDMXLPSA-N 313.316 4.525 30 20 DJED C=C(C)CN1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 472953340 OLGLFVWKMGLTNK-UHFFFAOYSA-N 314.256 4.551 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1ccccc1OCC 485015298 HCODXQZVMLWJDM-UHFFFAOYSA-N 316.445 4.686 30 20 DJED N#CCCCOc1cccc(CN2CCC[C@@H]2C2CCCC2)c1 511471677 JOQADPWMNMGVTO-HXUWFJFHSA-N 312.457 4.524 30 20 DJED C[C@@H](N[C@H](C)c1ccc2ccccc2n1)c1ccc(C#N)cc1 531951319 BADPQEJXTJSYAP-HUUCEWRRSA-N 301.393 4.518 30 20 DJED C=C[C@@H](CC(=O)NC1(c2ccccc2)CCC1)c1ccccc1 535333380 QELJWGHVXXJKHA-KRWDZBQOSA-N 305.421 4.542 30 20 DJED N#CCc1ccc(C(=O)N(c2ccccc2)C2CCCCC2)cc1 536244778 QYYCTCBXFKPKHT-UHFFFAOYSA-N 318.420 4.732 30 20 DJED N#CCSCCCN[C@@H](c1cccc(Cl)c1)C1CCCC1 540428396 VATYFLGFXOVUQB-QGZVFWFLSA-N 322.905 4.808 30 20 DJED CSc1ccccc1C[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 541221015 JEELMPHKVCOTTC-HUUCEWRRSA-N 310.466 4.562 30 20 DJED CCC[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542932253 QZVRELMJQLXEAL-CVEARBPZSA-N 320.436 4.839 30 20 DJED Cc1ccc(C)c2c1CCC[C@@H]2N[C@@H](C)c1ccc(C#N)cc1 545313190 PBHVIJDRZQJXQD-JXFKEZNVSA-N 304.437 4.903 30 20 DJED C=CCOc1ccc(CN[C@@H](C)c2ccc(CC)s2)cc1 552090987 ZGGJEUQAXBWGTF-AWEZNQCLSA-N 301.455 4.726 30 20 DJED CC(C)c1ccc([C@@H](C)CC(=O)N(C2CC2)C2(C#N)CCC2)cc1 556454333 MQBKVOPFBDEWRM-INIZCTEOSA-N 324.468 4.741 30 20 DJED C=CCC(C)(C)C(=O)N1Cc2ccccc2-c2ccccc2C1 559443657 MCAFIFDSOANNSJ-UHFFFAOYSA-N 305.421 4.798 30 20 DJED C=CCC[C@@H](C(=O)Nc1cccc2ocnc12)c1ccccc1 560114965 IHWLUNDKNOCSLU-OAHLLOKOSA-N 306.365 4.516 30 20 DJED Cc1nc(-c2ccccc2)sc1NC(=O)CCCCCC#N 588676403 NYKDAVZOYVYSQG-UHFFFAOYSA-N 313.426 4.531 30 20 DJED C/C(=C/c1ccccc1C(F)(F)F)CN1CCC[C@@H](CC#N)C1 597176721 JKICQHRQOVDMNB-SZGZABIGSA-N 322.374 4.734 30 20 DJED N#CCC[C@@H](NCc1csc(C(F)(F)F)c1)c1ccccc1 598969705 GSJYYVNJANRLQJ-CQSZACIVSA-N 324.371 4.902 30 20 DJED N#Cc1ccc(NCc2ccc(COc3ccccc3)cc2)cc1 603855846 YFBSLWLGERFYTI-UHFFFAOYSA-N 314.388 4.749 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCCc2c(Cl)cccc21 618806169 OUEGJEOLNIYEJM-VQTJNVASSA-N 322.839 4.866 30 20 DJED C#Cc1cccc(NC(=S)N(Cc2ccccc2)CC(C)C)c1 726484334 KAIJLPNKKZNUTI-UHFFFAOYSA-N 322.477 4.523 30 20 DJED COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(F)c1F 730730264 VZEOZIMPOVHXIS-FNORWQNLSA-N 308.711 4.523 30 20 DJED CCCCCCCCC(=O)Nc1ccc(C)cc1CN(C)C 733783074 RMUCRFVYCAKGGP-UHFFFAOYSA-N 304.478 4.746 30 20 DJED Cc1cc(F)ccc1/C=C\C(=O)c1cnn(-c2ccccc2)c1C 750905520 MIYIBCXAJWLWQR-LUAWRHEFSA-N 320.367 4.524 30 20 DJED O=C(/C=C/c1cc(F)ccc1Br)c1ccccc1F 761199160 DCULSLIOEGDHFQ-VMPITWQZSA-N 323.136 4.623 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C\c1nc3ccc(F)cc3s1)C2 761478688 VJIRDCHLEWSLEY-WQLSENKSSA-N 309.365 4.566 30 20 DJED CCc1noc(C)c1C(C)=NNc1cc(Cl)ccc1Cl 769821040 RWJQVYBKZLEPOB-UHFFFAOYSA-N 312.200 4.688 30 20 DJED COc1cc(C)c(N[C@@H]2CCCc3cc(C#N)ccc32)cc1F 775565581 MQFYNQQJRABBNR-QGZVFWFLSA-N 310.372 4.504 30 20 DJED CC(C)Oc1ccc(/C=C/C(=O)c2cccc(F)c2F)cc1 776267596 CJQVYAAJFWEYTA-DHZHZOJOSA-N 302.320 4.648 30 20 DJED C=CC[C@@H](C(=O)OCc1cnc2ccccc2c1)c1ccccc1 778637097 WGCIQROVMALTBZ-LJQANCHMSA-N 317.388 4.638 30 20 DJED CCn1nc(C)c(/C=C/C(=O)c2cc3ccccc3s2)c1C 780189352 XZTLDPVZJUJQEI-MDZDMXLPSA-N 310.422 4.631 30 20 DJED CC[C@H](CC#N)OC(=O)c1sc2cccc(C)c2c1Cl 787090161 FPOGXXWSIPIRLF-SNVBAGLBSA-N 307.802 4.712 30 20 DJED CCN(C(=O)c1cc(C#N)ccc1Cl)c1ccc(Cl)cc1 795143418 LPHWNOIHKCQMOG-UHFFFAOYSA-N 319.191 4.532 30 20 DJED C=C(C)[C@@H](NCc1cc(C)nc(Cl)c1)c1ccc(F)c(F)c1 797601705 LQZFFMAKJHEVQC-QGZVFWFLSA-N 322.786 4.729 30 20 DJED CCCCCCCCC(=O)N1CCCC[C@H]1c1nccn1CC 797775713 JOXQUNVJAODGMX-KRWDZBQOSA-N 319.493 4.707 30 20 DJED C#CCCCCC(=O)N(C)c1ccc(C(F)(F)F)cc1Cl 798214654 LXIFZSFCNQXAEU-UHFFFAOYSA-N 317.738 4.515 30 20 DJED Cc1nn(C(C)C)cc1/C=C1\COc2ccc(C(C)C)cc2C1=O 798370796 YAVDZOJQEOYOMZ-CAOOACKPSA-N 324.424 4.555 30 20 DJED N#Cc1ccccc1C(=O)/C=C\c1ccc(SC(F)F)cc1 799500548 YYNWQUKCEYBSPQ-YFHOEESVSA-N 315.344 4.769 30 20 DJED Cc1cc([N+](=O)[O-])ccc1NN=Cc1c(Cl)cccc1Cl 807989652 MWWKZNPURVXDFZ-UHFFFAOYSA-N 324.167 4.656 30 20 DJED CC(C)c1nc(C(=O)/C=C\c2nccc3ccccc23)cs1 812243730 SVQZJQJSQOFVKP-FPLPWBNLSA-N 308.406 4.711 30 20 DJED CCCc1nc(C)c(CON=C(C)c2cc3ccccc3o2)o1 853644029 ZXARMJNODPYQQZ-UHFFFAOYSA-N 312.369 4.623 30 20 DJED C=C(C)CN(CC)C(=O)CC1c2ccccc2Oc2ccccc21 1115835962 QROZNDMKCYLRLP-UHFFFAOYSA-N 321.420 4.739 30 20 DJED N#Cc1ccc(Oc2cccc(C(=O)OC3CCCCC3)c2)cc1 1124354727 YIHFSOHIADDYJU-UHFFFAOYSA-N 321.376 4.840 30 20 DJED CC(C)c1nc(Sc2ccc(C#N)cc2)cc(C(C)(C)C)n1 1162226128 JFVCWDPCNGXDOB-UHFFFAOYSA-N 311.454 4.920 30 20 DJED CCc1ccc(F)cc1C(=O)Nc1cc2ccccc2cc1C#N 1275733548 DWJRZBBERCOANN-UHFFFAOYSA-N 318.351 4.665 30 20 DJED CC(C)c1ccc([C@@H](C)CC(=O)Nc2ccc(C#N)cc2)cc1 1349952141 WQTIBESUXUXYMP-HNNXBMFYSA-N 306.409 4.814 30 20 DJED CCN(C(=O)[C@@H](C)c1ccccc1C)[C@@H](C)c1ccc(C#N)cc1 1354501892 GAEYACIGQVWOAY-IRXDYDNUSA-N 320.436 4.580 30 20 DJED Cc1ccc(C#N)cc1NC(=O)[C@H](CCc1ccccc1)C(C)C 1435386689 RWDQDEDTFOBYRW-LJQANCHMSA-N 320.436 4.710 30 20 DJED CCc1ccsc1C(=O)Nc1cc2ccccc2cc1C#N 1436728474 QGQMWHGKZFBUJS-UHFFFAOYSA-N 306.390 4.588 30 20 DJED CC[C@@H](C)c1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)cc1 1457188378 AKOFDZMTBQHBHS-HUUCEWRRSA-N 307.393 4.990 30 20 DJED CC(C)c1ccc([C@H](C)CC(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1 1460798345 QUXIGEZMFRHWRO-GPMSIDNRSA-N 313.441 4.929 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H]2CCC(C)(C)C2)n1 1472965539 BSMRDSAAOSMXFZ-SNVBAGLBSA-N 314.376 4.951 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N(C)c1cccc2ccccc12 1476231831 DHEFTMMIEAFSDR-UHFFFAOYSA-N 315.376 4.688 30 20 DJED CCC(C)(C)c1ccc(COC(=O)Cc2cccc(C#N)c2)cc1 1520640145 HGEWCOSCMKDELM-UHFFFAOYSA-N 321.420 4.532 30 20 DJED CC(C)c1ccc2occ(C(=O)Nc3ccc(C#N)cc3)c2c1 1524223349 NCXOUIFBPIXOIL-UHFFFAOYSA-N 304.349 4.680 30 20 DJED CCC1(CC)CCCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 1538644697 ULIQRVJDMYCJDR-UHFFFAOYSA-N 318.848 4.644 30 20 DJED CC1=C(C(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)CCC1 1583690465 PRFPADDCBUSSGU-PWSUYJOCSA-N 314.454 4.744 30 20 DJED CCc1ccc(N(CC2CC2)C(=O)CC2(C#N)CCCCC2)cc1 1587785772 ZSXTYOKLZZZXBH-UHFFFAOYSA-N 324.468 4.856 30 20 DJED C[C@@H](NCc1ccc(Cl)cc1C#N)c1ccc2c(c1)CCC2 1642518529 OFJLOIRDGVPTKB-CYBMUJFWSA-N 310.828 4.551 30 20 DJED Cc1c(C#N)c(S[C@H]2CCc3ccc(F)cc32)nc2c1CCC2 1643545978 NFSZOJYRAVQLEF-SFHVURJKSA-N 324.424 4.669 30 20 DJED N#C[C@H](CCc1ccccc1)Sc1c(F)cc(F)cc1F 1652616134 NSRTZDMGFNRFBI-ZDUSSCGKSA-N 307.340 4.721 30 20 DJED N#Cc1c(F)cccc1N1CCC[C@@H](CCCc2ccccc2)C1 1655293107 AUQRZPUKSYWIKW-GOSISDBHSA-N 322.427 4.937 30 20 DJED C=C(CNCc1ccc2c(c1)CCC(C)(C)O2)c1ccccc1 1661310673 FUCIQDDOAZTCOM-UHFFFAOYSA-N 307.437 4.593 30 20 DJED CC(C)c1cccc(/C=C2\C[C@@H](C(=O)O)c3ccccc3C2=O)c1 1776375971 OIZPSOKPWQJYEA-KZIRBZLESA-N 320.388 4.648 30 20 DJED CC[C@H](C)c1ccc(/C=C2\CCc3occ(C(=O)O)c3C2=O)cc1 1776698684 SBGMZODJSXYYOY-XBUHWIKASA-N 324.376 4.704 30 20 DJED Cc1cn2c(/C=C/C(=O)c3cc4ccccc4o3)c(C)nc2s1 58452794 ZFNASTYDAMECSM-BQYQJAHWSA-N 322.389 4.655 30 20 DJED N#CCCCCN[C@H](c1cccc(F)c1)c1cccc(Cl)c1 180430569 RHPYRCSWEQAQMW-SFHVURJKSA-N 316.807 4.852 30 20 DJED Cc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1OC(F)F 182160266 MGXLOJDYYSQQFJ-LBPRGKRZSA-N 302.324 4.641 30 20 DJED C[C@H](NCc1ccc(Cl)cc1C#N)c1ccc(Cl)cc1 187193173 BTZCEXBKLLQDAQ-NSHDSACASA-N 305.208 4.716 30 20 DJED CC(C)Oc1cccc([C@H](C)Nc2ccc(Cl)c(C#N)n2)c1 301186198 VAZIBKWQGGHOKY-LBPRGKRZSA-N 315.804 4.567 30 20 DJED OC(=Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)[C@H]1CC12CCCC2 330000816 XDNPYZXEWKCSPN-OAHLLOKOSA-N 322.412 4.517 30 20 DJED C[C@H](N[C@H](C)c1ccc(C2CC2)cc1)c1ccc(C#N)c(F)c1 417353879 KEYYXYNYNJBTMX-KGLIPLIRSA-N 308.400 4.987 30 20 DJED C[C@@H](C(=O)Nc1ccc(C#N)cc1Cl)c1cc2ccccc2o1 430361713 CKKWXJVTIAQOKP-LLVKDONJSA-N 324.767 4.700 30 20 DJED N#Cc1csc(C(=O)N(Cc2ccsc2)c2ccccc2)c1 437559085 NOVHGAXZFKTYAP-UHFFFAOYSA-N 324.430 4.528 30 20 DJED N#Cc1cccc(C(=O)CSc2ccc3ccccc3c2)c1 439067238 NZAXABYZHIYSGY-UHFFFAOYSA-N 303.386 4.686 30 20 DJED CC#CCN1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 471182131 PVLMUGYZPDCSLW-QGZVFWFLSA-N 308.425 4.625 30 20 DJED CC(C)c1cccc(NC(=O)CSCc2ccc(C#N)cc2)c1 490828463 QSIJAZNANJAZAN-UHFFFAOYSA-N 324.449 4.554 30 20 DJED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CC1(C)C 501610181 XXIXCKVEIKASOL-QGZVFWFLSA-N 320.392 4.644 30 20 DJED CCCCCN(C(=O)Nc1cc(C#N)cn1C(C)(C)C)C(C)C 508078359 FTOQGLDGVPGVKO-UHFFFAOYSA-N 318.465 4.547 30 20 DJED C=CC1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 518437534 DTTCBOVQBMMTRV-UHFFFAOYSA-N 317.860 4.576 30 20 DJED C=CCCC[C@H](C)NC(=O)Nc1ccc(-c2ccccn2)cc1 555010051 HZYGHYMRBNGOOG-HNNXBMFYSA-N 309.413 4.615 30 20 DJED CCCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)C 580461720 DHVLKTWZQFLNOS-AWEZNQCLSA-N 319.474 4.591 30 20 DJED CCCOc1ccc(CN[C@@H](CCC#N)c2ccccc2)c(C)c1 594958320 PTCRVRIVDVWDGL-NRFANRHFSA-N 322.452 4.919 30 20 DJED C=CC[C@@H](C)NC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 607184359 ZYULAAQHUQGKDB-CVEARBPZSA-N 300.446 4.524 30 20 DJED CC(C)c1ccc(C(C)(C)NCc2cc(C#N)ccc2F)cc1 609358170 NYXGTKCAHCSENF-UHFFFAOYSA-N 310.416 4.846 30 20 DJED Cc1ccc2ccccc2c1CN[C@@H](C)c1cccc(C#N)c1 611386104 CNTSXYVUPYYOJP-INIZCTEOSA-N 300.405 4.871 30 20 DJED C[C@@H]1CC[C@@H](N[C@H]2CCc3cc(C#N)ccc32)c2ccccc21 618804056 JUDKKGAPSVOOEX-PUCZYUMASA-N 302.421 4.774 30 20 DJED CC(=NNc1ccc(Cl)c(Cl)c1)c1ccc(O)cc1F 729931390 CUKRFSBOAVJAPQ-UHFFFAOYSA-N 313.159 4.674 30 20 DJED C=CCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)C 731400161 LKCBMAKBOOPXAL-CQSZACIVSA-N 317.458 4.509 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C\c3ccc(F)c(C)c3)c2c1 734306890 IDVFLWARJHYBNY-YWEYNIOJSA-N 309.340 4.520 30 20 DJED O=C(/C=C/c1sc2ccccc2c1Cl)c1cncc(F)c1 737444644 RYTVEOBPIMTRBO-AATRIKPKSA-N 317.772 4.985 30 20 DJED C[C@@H]1Sc2sccc2C(=O)/C1=C\c1cc(F)ccc1F 742436049 FNBMFTOMGVPNEA-VQLBTBKJSA-N 308.374 4.787 30 20 DJED CCC(C)(C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746718548 PAJAYRALYHASLL-GOSISDBHSA-N 321.424 4.652 30 20 DJED C=CCN(C(=O)Nc1cc(Cl)c(C)cc1Cl)C(C)C 752315605 SHDARIZIOLCIBK-UHFFFAOYSA-N 301.217 4.730 30 20 DJED CC(=NNc1nc(C(F)(F)F)cs1)c1cc(C)ccc1C 755903869 LQOMSMLIGMGIOD-UHFFFAOYSA-N 313.348 4.615 30 20 DJED Cc1ccc(Cl)c(NC(=O)c2ccccc2SCC#N)c1 762241385 KOBCPXLCLWIOTO-UHFFFAOYSA-N 316.813 4.516 30 20 DJED CC[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)C1CCC(C)CC1 764761162 YHUISDQHEWSMOH-QDIHITRGSA-N 323.440 4.592 30 20 DJED C#CCCCCCC(=O)N1CCC[C@H]1CCCc1ccccc1 779987492 ZMBKGTZUYFVKRU-HXUWFJFHSA-N 311.469 4.584 30 20 DJED O=C(/C=C\c1scnc1C1CC1)c1ccc(OC(F)F)cc1 782300013 BEBAECBCNXCVSH-FPLPWBNLSA-N 321.348 4.518 30 20 DJED Cc1c(C(=O)/C=C\c2cscc2Cl)cnn1C(C)(C)C 787186119 FMBJVKIMAYCUKM-WAYWQWQTSA-N 308.834 4.558 30 20 DJED CC(C)(C)c1cnc(/C=C2/CCc3cc(C#N)ccc3C2=O)s1 790601644 WQVJJYIJSLZKFH-ZROIWOOFSA-N 322.433 4.525 30 20 DJED O=C(/C=C\c1sc2ccccc2c1Cl)c1ccnc(F)c1 794721832 MCYCLNDMDYQCGF-WAYWQWQTSA-N 317.772 4.985 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccc(C(F)F)cc2)cc1F 794946437 OFOXJEVMPDZCCN-BAQGIRSFSA-N 301.267 4.531 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=S)N[C@@H]1CCCC[C@H]1C 794995561 OWWSIZPBTKASJP-SJLPKXTDSA-N 316.514 4.518 30 20 DJED N#CCCCCCC(=O)N[C@@H](c1ccccc1)C1CCCCC1 806458540 KLBQSEDYMZKPDI-FQEVSTJZSA-N 312.457 4.898 30 20 DJED CCOc1ccc(C=Nc2ccc(OCC)c(Cl)c2)c(O)c1 915981180 NJZNOFLBLCTSKE-UHFFFAOYSA-N 319.788 4.594 30 20 DJED CC[C@H](C)c1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)cc1 1127090849 WMPKRLMCRPVRMP-GJZGRUSLSA-N 307.393 4.990 30 20 DJED CCCC[C@@H](CC)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1129092165 LMTOJZYYPIIKPD-CQSZACIVSA-N 316.445 4.890 30 20 DJED CCc1cccc2cc(CNc3ccccc3O[C@H](C)C#N)oc12 1178286421 ZQDLXLPRJJHYJR-CQSZACIVSA-N 320.392 4.898 30 20 DJED CC(C)(C#N)CNCc1ccc(-c2ccc(C(C)(C)C)cc2)o1 1179771355 AIUVLUHMLWXWAQ-UHFFFAOYSA-N 310.441 4.883 30 20 DJED C[C@]1(c2ccccc2)CC[C@@H](N[C@H]2CCc3cc(C#N)ccc32)C1 1181435402 COKICXZEMYZHAZ-HJNYFJLDSA-N 316.448 4.646 30 20 DJED CCOc1ccc(C#N)cc1N[C@H]1CC[C@@H](c2ccccc2)C1 1205348166 YKAVVGYWDHUUQY-MSOLQXFVSA-N 306.409 4.705 30 20 DJED CC(C)CC[C@@H](C)NC(=O)Nc1scc(C(C)(C)C)c1C#N 1205528533 LKSSASBWWFLLLR-GFCCVEGCSA-N 321.490 4.863 30 20 DJED Cc1c(C(=O)N[C@@H](C)CCC(C)C)sc2ccc(C#N)cc12 1264164059 LHDZDQQNKGXDOE-LBPRGKRZSA-N 314.454 4.636 30 20 DJED CSc1ccccc1C(=O)/C=C/c1nc2c(s1)CCCC2 1322614583 KNCMESYQZNTTBS-ZHACJKMWSA-N 315.463 4.640 30 20 DJED C[C@H](CC#N)N[C@H](C)c1ncc(-c2ccc(Cl)c(Cl)c2)o1 1331776641 XTTFVZMOXSIXIP-NXEZZACHSA-N 324.211 4.601 30 20 DJED CC[C@@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)C1CCC(C)CC1 1354184735 RZHQMRJHXWUINE-DGSXUWPCSA-N 312.457 4.588 30 20 DJED CC1(C)CC(CNc2nc(C#N)c(Cl)s2)CC(C)(C)C1 1458477708 GDAGKZAHMKIBRG-UHFFFAOYSA-N 311.882 4.933 30 20 DJED CCc1cccc(Cl)c1CN[C@@H]1CCCc2cc(C#N)ccc21 1560509086 QOXLTVRGXVGCSO-HXUWFJFHSA-N 324.855 4.941 30 20 DJED Cc1ccc(CN(Cc2ccc(Cl)cc2C#N)C2CC2)cc1C 1615621323 HLJOVSKEBWYAJF-UHFFFAOYSA-N 324.855 4.993 30 20 DJED Cc1ccc(N(CCC#N)C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 1631761782 DTEMBVLWZZZLPP-GBESFXJTSA-N 324.468 4.848 30 20 DJED CCc1nc(C(C)C)ccc1CN1CCCc2cc(C#N)ccc21 1645900873 MHEVXUVVAQDSPR-UHFFFAOYSA-N 319.452 4.592 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)CCSC1CCCCC1 1646330057 HMXQSMAYINFXSC-HNNXBMFYSA-N 302.487 4.617 30 20 DJED Cc1cc(N2CC3(CCCCC3)[C@@H]2c2ccccc2)ncc1C#N 1651926021 WENNIUOJVLKQIT-FQEVSTJZSA-N 317.436 4.774 30 20 DJED N#CC1(CN(C2CC2)[C@H]2CCCC[C@H]2C2CCCCC2)CC1 1652620195 LVFGBNDVASLRMK-OALUTQOASA-N 300.490 4.894 30 20 DJED CCC(CC)(CNc1nc(C(C)(C)C)ccc1C#N)SC 1655195746 QXIQVOTVISQOON-UHFFFAOYSA-N 305.491 4.584 30 20 DJED CC[C@H](CN1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 1657393032 ZMFZQMNYYBMUNI-LJQANCHMSA-N 316.448 4.841 30 20 DJED O=C(O)c1cc(/C=C\C(=O)c2cccc3ccccc23)ccc1F 1776114131 GWGHJXWEQJROHI-LUAWRHEFSA-N 320.319 4.573 30 20 DJED C=CCCC1(C(=O)O)CCN(CCC2C[C@@H](C)C[C@H](C)C2)CC1 1776173149 GGOLPUNOJYKXIA-IRXDYDNUSA-N 321.505 4.582 30 20 DJED C[C@@H]1C/C(=C/c2ccc(/C=C/C(=O)O)cc2)C(=O)c2sccc21 1776589525 IUCJIRYNWHUQRY-CANHIEHDSA-N 324.401 4.619 30 20 DJED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c(C)o1 73976853 GBBFHKCZCYALMA-OAHLLOKOSA-N 322.389 4.510 30 20 DJED N#CCC[C@H](Nc1cccc(C(F)(F)F)n1)c1ccccc1 164314275 KRKOWUDHDSIGRU-ZDUSSCGKSA-N 305.303 4.557 30 20 DJED C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@@H](C)C1CCCCC1 182103192 LRDLRPZIDWNEGF-CABCVRRESA-N 314.429 4.522 30 20 DJED C[C@@H](C#N)Oc1ccc(/C=C\c2nc3cc(Cl)ccc3o2)cc1 208002949 WSYKFDLKEJHFLZ-REPPVQDKSA-N 324.767 4.942 30 20 DJED Cc1c(Br)cccc1N[C@H](C)c1cccc(C#N)c1 226037337 SWLFIOWDZBRPGI-GFCCVEGCSA-N 315.214 4.802 30 20 DJED CS[C@H]1CCC[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 227359823 GFIKYIXVHUIFRB-AAEUAGOBSA-N 314.376 4.663 30 20 DJED Cc1cc(C)cc(COc2cc(Br)ccc2C#N)c1 308073567 BUKXMQNENJXFSD-UHFFFAOYSA-N 316.198 4.517 30 20 DJED C[C@H]1C[C@@H](C(O)=Nc2nc3ccc(Cl)cc3s2)CCC1=O 328869825 CZUOSCHUODDANA-IUCAKERBSA-N 322.817 4.543 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@H]1CCc2ccc(C#N)cc21 353429232 TUJDVLYXUDHSJZ-RBUKOAKNSA-N 320.436 4.750 30 20 DJED C=CCC[C@@H](NC1CCN([C@H](C)c2ccccc2)CC1)C1CC1 438984862 MCSRHZKBZUVMMP-DYESRHJHSA-N 312.501 4.546 30 20 DJED C[C@H](CSCc1ccccc1C(C)(C)C#N)C(F)(F)F 439024469 CXXFUJQJVXYOPB-LLVKDONJSA-N 301.377 4.919 30 20 DJED CC(C)(CN[C@H]1CCC[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 446811883 FDCMGUNHPOISGY-BBRMVZONSA-N 324.390 4.655 30 20 DJED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC[C@H]1c1ccccc1 460767635 CLYGVKNFVXBIRA-AEFFLSMTSA-N 324.472 4.709 30 20 DJED CC(C)c1ccc([C@@H](C)NC(=O)[C@H](C)c2cccc(C#N)c2)cc1 461737118 NEIKXRITZSYDBR-HZPDHXFCSA-N 320.436 4.663 30 20 DJED CC(C)(C#N)CC(=O)N(Cc1ccccc1)[C@@H]1CCCC1(C)C 469539512 HSDSXGJUOGJPOY-QGZVFWFLSA-N 312.457 4.534 30 20 DJED CC(C)(C)[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)cc1 484087055 YPPFILNREMTMTC-GOSISDBHSA-N 314.379 4.713 30 20 DJED C[C@H](Nc1c(F)cc(C#N)cc1F)c1ccccc1OC(F)F 500541524 VTOJASUBTCIHQQ-VIFPVBQESA-N 324.277 4.611 30 20 DJED CC[C@@H](CC(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 504414286 BVORUNCIDTUQOF-AWEZNQCLSA-N 312.438 4.759 30 20 DJED C=CCCCC(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1 535637338 VVMKRPCCYXBUOB-NRFANRHFSA-N 319.448 4.711 30 20 DJED C=C(C)COc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 537838221 FYIHNPHIBPGODB-UHFFFAOYSA-N 315.800 4.572 30 20 DJED CC1CCN(c2cccc(N[C@@H](C)c3cccc(C#N)c3)c2)CC1 539739137 CIAORPUARKQUIE-KRWDZBQOSA-N 319.452 4.968 30 20 DJED C=CC[C@@H](C)[C@@H](C)Nc1cccc2c1CN(c1nccs1)C2 540745330 AXHPMFBZRYSADQ-ZIAGYGMSSA-N 313.470 4.676 30 20 DJED CC[C@@H](CC(F)(F)F)NCc1ccc(F)cc1C(F)(F)F 546972314 AKIWBNXAQDUSCA-JTQLQIEISA-N 317.248 4.665 30 20 DJED C=CCC[C@H](NC(=O)c1sccc1Cl)c1ccccc1 552365660 MWWQDBCBYNYWSL-AWEZNQCLSA-N 305.830 4.839 30 20 DJED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CCC(CCC#N)CC1 566274974 NTQZLGMJHSOPCH-AEFFLSMTSA-N 324.468 4.518 30 20 DJED CCCOc1cc(C)ccc1CN[C@H](CC)c1ccc(C#N)cc1 576305661 NUTIGTBCVQBGFO-HXUWFJFHSA-N 322.452 4.896 30 20 DJED Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)CCCCCC#N)cc1 588639234 YHJNWOQYSHNECC-YLJYHZDGSA-N 312.457 4.769 30 20 DJED N#C[C@H](Cc1ccccc1)Sc1ncc(-c2ccc(F)cc2)o1 590666089 DTKZNANTOHWMTE-INIZCTEOSA-N 324.380 4.708 30 20 DJED Cc1nc(Oc2ccccc2C#N)c2c(CC(C)C)csc2n1 603836670 YQQGSNALPWURGH-UHFFFAOYSA-N 323.421 4.862 30 20 DJED C=CCCCCCN(C)C(=O)c1cc2ccc(F)cc2s1 606816305 SOGKQFDIFQANGX-UHFFFAOYSA-N 305.418 4.859 30 20 DJED CC(C)Oc1ccccc1[C@H](C)N[C@H](C#N)C1CCCCC1 609676844 BFHMQHQUFSALGV-MAUKXSAKSA-N 300.446 4.597 30 20 DJED Cc1cccnc1[C@@H]1CCC[C@H](N[C@H](C)c2cccc(C#N)c2)C1 619611255 AHKABLDGSWLDQM-AHRSYUTCSA-N 319.452 4.639 30 20 DJED C=CCN1CCC(N[C@@H](CC)c2cccc3ccccc23)CC1 682134204 WDAKNZTZTVINNF-NRFANRHFSA-N 308.469 4.531 30 20 DJED N#Cc1sc(NCc2ccc(Cl)c(Cl)c2)nc1Cl 689267726 XVPAHTRPOAZVAL-UHFFFAOYSA-N 318.616 4.587 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2nc(-c3ccccc3)cs2)cc1 730084744 GTKHRVVKLKAHRI-KHPPLWFESA-N 316.385 4.578 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC[C@@H]1CC1(Cl)Cl 731351986 ITFUKDGXBBHOCK-MNOVXSKESA-N 315.269 4.687 30 20 DJED CC1(C)CCc2cc(/C=C\C(=O)c3cccc(C#N)c3)ccc2O1 731564634 MYACTMLTYMSLAV-VURMDHGXSA-N 317.388 4.558 30 20 DJED C=CC[C@@H](NCc1ccc(-c2ccc(F)cc2)o1)c1ccncc1 734510823 ZURNTOTVBBSZQF-LJQANCHMSA-N 322.383 4.888 30 20 DJED O=C1/C(=C\c2cccc(-c3ccccn3)c2)Cc2cc(F)ccc21 747694163 SZJUDEFIBWQIBU-BOPFTXTBSA-N 315.347 4.710 30 20 DJED CCc1cnccc1C(=O)/C=C/c1cnc(-c2ccccc2)s1 766772367 QUJXGIKOSJOIJD-CMDGGOBGSA-N 320.417 4.664 30 20 DJED CC(=NNc1c(Cl)cc(F)cc1Cl)c1scnc1C 767910474 VQJWIONKEUQZIV-UHFFFAOYSA-N 318.204 4.734 30 20 DJED Oc1c(Cl)cc(Cl)cc1C=Nc1cccc2cc[nH]c12 773906911 ORKNRMHAXKRRHJ-UHFFFAOYSA-N 305.164 4.931 30 20 DJED CCCCC[C@H](CC)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 775792115 TWYDJEMCHPVBKF-SFHVURJKSA-N 324.468 4.780 30 20 DJED CC(=NNc1ccccc1C(F)(F)F)C1CCSCC1 777417995 GCIIWQCCFZZSIK-UHFFFAOYSA-N 302.365 4.636 30 20 DJED C=CCC[C@H](C(=O)OCc1ccc(Cl)cn1)c1ccccc1 778552297 LXFSZCLDTDLHCV-KRWDZBQOSA-N 315.800 4.528 30 20 DJED CCOc1c(Cl)cccc1/C=C/C(=O)c1ccc(C#N)s1 782351084 HTFRLTTTXRAWPT-SOFGYWHQSA-N 317.797 4.568 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2Cl)s1 783702165 SAHCEKDLPKIMQS-GQCTYLIASA-N 307.758 4.514 30 20 DJED COc1ccc2c(c1NCc1ccccc1C(C)(C)C#N)CCC2 790528826 OWIHMUMWGVXPBD-UHFFFAOYSA-N 320.436 4.597 30 20 DJED N#C[C@@H](OC(=O)c1csc(-c2ccc(Cl)cc2)c1)C1CC1 796943102 PWRZKBZZWCWJFU-CQSZACIVSA-N 317.797 4.527 30 20 DJED N#Cc1ccccc1-c1ccc(COC(=O)[C@@H]2CC=CCC2)cc1 818025322 IDLMNECVNGXUCD-GOSISDBHSA-N 317.388 4.625 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)n1 842728916 LSJODRDWSFAKJS-XQQFMLRXSA-N 304.459 4.515 30 20 DJED O=C(c1cccc(Cl)c1)N(O)Cc1cccc2ccccc12 901368092 SFZHVDOCFLQPAU-UHFFFAOYSA-N 311.768 4.525 30 20 DJED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccsc2)cc1 915086743 NCCPFGTXQWFFMF-GOSISDBHSA-N 318.401 4.656 30 20 DJED O=C(/C=C\c1ccc2ccccc2c1)c1ccc2c(c1)OCCO2 916138357 HJTSAWZUNZJFIE-TWGQIWQCSA-N 316.356 4.507 30 20 DJED CC(CCc1ccc(O)cc1)=NNc1cccc(C(F)(F)F)c1 916259926 JMXFNWNQZDUNPN-UHFFFAOYSA-N 322.330 4.832 30 20 DJED Fc1cc(-c2cccs2)ccc1C=Nn1cnc2ccccc21 917541128 PBYIXGHRQIVLSP-UHFFFAOYSA-N 321.380 4.786 30 20 DJED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 1115842806 NTVMREZITMUJFG-UZLBHIALSA-N 316.404 4.637 30 20 DJED CCc1ccc([C@H](C)CC(=O)N(CC)c2ccc(C#N)cc2)cc1 1126426200 TXZRANWZHIGWMC-MRXNPFEDSA-N 320.436 4.667 30 20 DJED N#Cc1ccc(C(F)(F)F)nc1NCC1CCCCCCC1 1162211625 ZDDCJCMZKRGFEE-UHFFFAOYSA-N 311.351 4.744 30 20 DJED CC(C)O[C@H](CN(C)[C@@H](C)c1cccc(C#N)c1)c1ccccc1 1171399193 AKTUMQRHUPEWHW-LAUBAEHRSA-N 322.452 4.717 30 20 DJED CC[C@H](Nc1ncc(Cl)c(C)c1C#N)c1cc(F)ccc1F 1185430277 XVEVPNSSHHDAAS-HNNXBMFYSA-N 321.758 4.757 30 20 DJED Cc1c(Cl)cnc(N(C)C2CCC(C(C)(C)C)CC2)c1C#N 1306949585 VYPZRIFRGWIYGU-UHFFFAOYSA-N 319.880 4.956 30 20 DJED Cc1c(Cl)cnc(N2CCC[C@H](C3CCCCC3)C2)c1C#N 1307174011 UUULLDNOXDPUHS-HNNXBMFYSA-N 317.864 4.712 30 20 DJED N#CCOc1ccc(NCc2ccccc2-c2ccccc2)cc1 1321843893 GKJGSSOUAAJIDP-UHFFFAOYSA-N 314.388 4.868 30 20 DJED CC(C)(C#N)CCCCOC(=O)C1(C(F)(F)F)CCCCC1 1330231148 OPLXTKHDAVTZFG-UHFFFAOYSA-N 319.367 4.762 30 20 DJED C=C(C)CCC(=O)N(CC)[C@H](c1ccc(C)cc1)c1cccnc1 1336350379 WWWOYWUPTAWPCX-OAQYLSRUSA-N 322.452 4.684 30 20 DJED Cc1cccc(C2(NC(=O)CC3(C#N)CCCCC3)CCCC2)c1 1358444554 SVPSBRLOZFARNV-UHFFFAOYSA-N 324.468 4.745 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(C)(C)C1CCCCC1 1436970538 SEWZQVWCNFHYKX-HNNXBMFYSA-N 312.457 4.684 30 20 DJED CCC[C@H](CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)OC 1462082445 RYOZMCKQJJGNFO-IIBYNOLFSA-N 322.452 4.691 30 20 DJED CC(C)[C@@H](C)C(=O)OCc1ccccc1Oc1ccccc1C#N 1521370770 OSSHSWOPJFJVJB-OAHLLOKOSA-N 323.392 4.686 30 20 DJED Cc1cc(C(C)(C)C)cc(C)c1CCNc1cccc(C#N)n1 1559054750 HJWRSFNTOQMPHN-UHFFFAOYSA-N 307.441 4.522 30 20 DJED Cc1cc(NC(=O)c2ccc(C#N)c(Cl)c2)cc(C)c1Cl 1585848463 CMTWDFUMFMCDLH-UHFFFAOYSA-N 319.191 4.734 30 20 DJED CCOc1ccc(C#N)cc1N[C@H]1CC[C@H](Cc2ccccc2)C1 1621238966 JHENNUHGROMBFX-MJGOQNOKSA-N 320.436 4.780 30 20 DJED Cc1cc(Nc2ccc(Oc3cccc(F)c3)cc2)ncc1C#N 1651406768 QEARNIXLMZFTHR-UHFFFAOYSA-N 319.339 4.937 30 20 DJED Cc1c(Cl)cnc(NC[C@H](C)Sc2ccccc2)c1C#N 1651580398 KQORSFWUQDVUBD-NSHDSACASA-N 317.845 4.508 30 20 DJED CCO[C@H]1C[C@H](N(C)CCC2(C#N)CCCCC2)C1(CC)CC 1652781482 WSESZPZGGYJGST-ROUUACIJSA-N 320.521 4.766 30 20 DJED CC(C)CN(Cc1nc2ccccc2s1)c1ccc(C#N)cc1 1653660944 AVQNSWNFBACICB-UHFFFAOYSA-N 321.449 4.831 30 20 DJED CCN(Cc1ccccc1-c1ccc(C)cc1C)C[C@H](C)C#N 1659132506 MMNGAWGSCOGZBJ-QGZVFWFLSA-N 306.453 4.952 30 20 DJED CC(C)(CC#N)CN[C@H]1CCCC[C@@H]1c1ccccc1Cl 1659422754 WVZSHIRVJOKTMR-WBVHZDCISA-N 304.865 4.896 30 20 DJED C[C@@H](Nc1ccc(C#N)cc1Br)c1ccsc1 50342226 CGANWQAGZPSXML-SECBINFHSA-N 307.216 4.555 30 20 DJED COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1SC 63866777 NYQURQQLIVSACV-SOFGYWHQSA-N 318.825 4.967 30 20 DJED Cc1ccccc1-c1noc([C@H](C)Sc2ccc(C#N)cc2)n1 74453889 GTABOFSOFFEXBN-ZDUSSCGKSA-N 321.405 4.770 30 20 DJED CC[C@H](O)c1ccc(OCc2ccccc2C(C)(C)C#N)cc1 134168006 ZDMKERYOVVJQKL-IBGZPJMESA-N 309.409 4.510 30 20 DJED N#Cc1ccc(CNc2cccc(CCC(F)(F)F)c2)cc1 151050687 PWKGVRQOQKEWNY-UHFFFAOYSA-N 304.315 4.665 30 20 DJED CC(C)c1ccc(C(=O)N(C)c2cc(Cl)ccc2C#N)s1 186123532 INPDEYIMIPKQEK-UHFFFAOYSA-N 318.829 4.673 30 20 DJED CCCOc1cccc(N[C@H](C)c2ccc(OCC#N)cc2)c1 192990514 GVYGFFJRHZAQAY-OAHLLOKOSA-N 310.397 4.551 30 20 DJED CCc1cccc(Nc2ccc(C#N)c(Br)c2)c1 228176397 JQURRKJIHKURTH-UHFFFAOYSA-N 301.187 4.627 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C\c1ccccc1Br)C2 303298299 OCHACDPFKVQDGL-UVTDQMKNSA-N 313.194 4.580 30 20 DJED CC[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)c1ccccc1 317270433 SIKVZUZXSXSLAO-CYBMUJFWSA-N 305.303 4.535 30 20 DJED CC(C)(C)C(=O)c1ccc(NCc2cccc(F)c2C#N)cc1 427399943 OTBHZFUAVIAJTG-UHFFFAOYSA-N 310.372 4.538 30 20 DJED CCCOCc1ccccc1CN[C@H](CC)c1ccc(C#N)cc1 447528970 KFDOPYHCCCIHGA-OAQYLSRUSA-N 322.452 4.726 30 20 DJED CC#CCCCC(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 464450063 UUEKYQAYZGKSTL-HNNXBMFYSA-N 303.471 4.558 30 20 DJED Cc1ccc2cc([C@H](C)NCCc3cccc(C#N)c3)oc2c1 467447964 VOFNCOYEGUSUTQ-HNNXBMFYSA-N 304.393 4.506 30 20 DJED C=CC[C@H](C)NC(=O)c1c(F)cccc1Sc1ccccc1 467724053 GVOZNSQSQSCPML-ZDUSSCGKSA-N 315.413 4.671 30 20 DJED C=CCC1(C(=O)N(C)Cc2c(Cl)cccc2Cl)CCC1 478092588 QMWYPSIGEDNWCI-UHFFFAOYSA-N 312.240 4.698 30 20 DJED N#CCCCCSCCCOc1cccc(C(F)(F)F)c1 480376144 IMLVVTGVHVFDOV-UHFFFAOYSA-N 317.376 4.901 30 20 DJED CC(C)[C@H](CC(F)(F)F)N[C@H]1CCCCc2cc(C#N)ccc21 481995466 VILOBIDRUFHPRH-IRXDYDNUSA-N 324.390 4.892 30 20 DJED C=C[C@@H]1CCCCN1C(=O)CCCc1csc2ccccc12 488875365 DLBUIPBIRSVNRE-MRXNPFEDSA-N 313.466 4.791 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(C)C)cc1 498448600 IUPMDSPTRYZBSK-UHFFFAOYSA-N 320.436 4.734 30 20 DJED C=CC[C@@H](C(=O)NC[C@]1(C)C[C@H]1c1ccccc1)c1ccccc1 501708942 UFYXMFOYVFXYNZ-URVUXULASA-N 319.448 4.656 30 20 DJED CC(C)(C#N)CCCN1CC=C(c2ccccc2Cl)CC1 509440910 ZQXJGAGTJBZSME-UHFFFAOYSA-N 302.849 4.759 30 20 DJED CC(C)(C)[C@H](NCc1cccc(C#N)c1F)c1ccc(F)cc1 512416761 VNBHSRCDQIJCQU-GOSISDBHSA-N 314.379 4.713 30 20 DJED CC(C)(C#N)CCN[C@H](Cc1ccccc1)c1ccccc1F 540714409 LTIYWYGPYHNLGG-LJQANCHMSA-N 310.416 4.639 30 20 DJED CC(C)[C@H](C)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 541998910 HXGBQAIMFZSCQJ-JKSUJKDBSA-N 320.436 4.695 30 20 DJED CC[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1cccc(Cl)c1 570131447 MYNVUHPNESLLRF-MOPGFXCFSA-N 310.828 4.940 30 20 DJED COc1cc(CN[C@@H](C)c2cc3ccccc3s2)ccc1C#N 579413680 VOYKYFIMNVNYKI-ZDUSSCGKSA-N 322.433 4.632 30 20 DJED Cc1ccsc1CN(C)Cc1ccc(C#N)cc1C(F)(F)F 579894723 LVVBLHPHKWLGQP-UHFFFAOYSA-N 324.371 4.579 30 20 DJED N#Cc1ccc2c(c1)[C@H](NC[C@@H]1CCCC[C@H]1C(F)(F)F)CC2 589340628 NCFKCEJEJLUYOC-USXIJHARSA-N 322.374 4.504 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2Nc1ccc([C@H]2CCOC2)cc1 590262202 QJVCTVOGLXMJPY-GHTZIAJQSA-N 318.420 4.552 30 20 DJED CC(C)(C)Nc1ccccc1NC(=O)CC1(C#N)CCCCC1 597566417 MBSICQZRCVMKBT-UHFFFAOYSA-N 313.445 4.700 30 20 DJED C[C@H](SCCOc1cccc(C#N)c1)c1ccc(F)cc1 604062674 FZLRHEOMTGHVQL-ZDUSSCGKSA-N 301.386 4.571 30 20 DJED CCC[C@@H](C)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209875 RJCSZEWSHIAJNG-CQSZACIVSA-N 323.396 4.661 30 20 DJED CCCNc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 618577736 CXPGBNWHCQDUAP-NRFANRHFSA-N 319.452 4.547 30 20 DJED C=CCC[C@@H](NCc1ncc(C)[nH]1)c1ccc(C(F)(F)F)cc1 657414958 XDXXGDVAHIGXBT-OAHLLOKOSA-N 323.362 4.534 30 20 DJED Cc1c(C(=O)/C=C/C2=Cc3ccccc3OC2)oc2ccccc12 726744135 UDBNAKXLVIMEHJ-ZHACJKMWSA-N 316.356 4.956 30 20 DJED CC(=NNc1ccc(OCC(F)(F)F)cc1)c1cccs1 727262120 KWSGHRCMFMPYOV-UHFFFAOYSA-N 314.332 4.525 30 20 DJED C#CCOc1cccc(NC(=S)Nc2ccc(C(C)C)cc2)c1 730951626 LOXNIWBABNTWJT-UHFFFAOYSA-N 324.449 4.631 30 20 DJED CCc1ccc(/C=C\C(=O)c2c(C)nn(C(C)C)c2C)s1 731158899 LIMUARTXOLZBJH-KTKRTIGZSA-N 302.443 4.601 30 20 DJED CC(CCC1CCCCC1)=NNc1oc(C(C)(C)C)nc1C#N 731926630 NSJTVKRMCBFQOC-UHFFFAOYSA-N 316.449 4.992 30 20 DJED COc1cc(/C=C\C(=O)c2cccc(C)c2C)cc(Cl)c1O 734304918 AUYQLSXPAIOGPR-FPLPWBNLSA-N 316.784 4.567 30 20 DJED O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1cncs1 735792965 PAWDWXYXEFQVQJ-FNORWQNLSA-N 315.781 4.953 30 20 DJED CSc1ccc(C(=O)/C=C/c2nccc3ccccc23)cc1 740764672 BKWOZMOQJCTELT-ZHACJKMWSA-N 305.402 4.853 30 20 DJED Cc1ccc([C@H]2CCCCN2Cc2ccc(OCC#N)cc2)cc1 741793393 JZFQBCGHCWSEDH-OAQYLSRUSA-N 320.436 4.625 30 20 DJED Cc1ccc(-c2ccc(C(=O)OCC3(CC#N)CC3)c(F)c2)cc1 744278354 AXKKXTQJYOHZQN-UHFFFAOYSA-N 323.367 4.652 30 20 DJED CC(=NN[C@H](C)c1ccccc1)c1ccc(-c2ccncc2)cc1 745196131 JNIPLKOEPYPVDD-MRXNPFEDSA-N 315.420 4.823 30 20 DJED Clc1cccc(C2CC(=NNc3ncccc3Cl)C2)c1 753924133 NCTWOZGECXWNHZ-UHFFFAOYSA-N 306.196 4.734 30 20 DJED C#CCCCCNC(=S)Nc1ccccc1Oc1ccccc1 758432758 AZTNTOHJWWYQLL-UHFFFAOYSA-N 324.449 4.569 30 20 DJED CC(C)(C)Oc1ccc(C(=O)/C=C/c2cc(C#N)cs2)cc1 764919148 DYZHHZVZHOLWFR-CMDGGOBGSA-N 311.406 4.693 30 20 DJED CCCCOc1ccc(C=Nn2c(CC)nc3ccccc32)cc1 767360521 HVOGVFPJMZIHPM-UHFFFAOYSA-N 321.424 4.660 30 20 DJED O=C(/C=C/c1cc2cc(F)ccc2o1)c1ccnc(Cl)c1 782195291 VLFATCPMSUICPH-NSCUHMNNSA-N 301.704 4.516 30 20 DJED CCCCCCCC[C@@H](C)CC(=O)N1CCc2ncsc2C1 782725456 LDEYSHYWHQJGAX-OAHLLOKOSA-N 322.518 4.805 30 20 DJED C/C=C(/CC)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 789661928 ICZSHOMJVCFXMD-XXCGXMCASA-N 318.420 4.759 30 20 DJED CC(C)CN(CCC#N)C(=O)c1ccc(C2CCCCC2)cc1 792520473 BRKHSBHTUPJPKL-UHFFFAOYSA-N 312.457 4.746 30 20 DJED C[C@@H]1/C(=C\c2cnc(-c3ccccc3)nc2)C(=O)c2ccccc21 809159146 JDNUZEXUXPLYEC-YRIIZNAFSA-N 312.372 4.527 30 20 DJED O=C(/C=C\c1ccc(C(F)F)cc1)c1cc([N+](=O)[O-])ccc1F 814192108 YATKAEZVOALFMN-BAQGIRSFSA-N 321.254 4.568 30 20 DJED CC[C@@H](Nc1cccc2c1OCC[C@H]2OC)c1cccc(C#N)c1 902976677 URNQTGFMGZVWOY-IEBWSBKVSA-N 322.408 4.591 30 20 DJED FC(F)SCc1ccc(C=NNc2cccc(Cl)c2)o1 916268229 RHOMZQZNILDZIM-UHFFFAOYSA-N 316.760 4.835 30 20 DJED C[C@@H](CC(C)(C)c1ccccc1)Nc1snc(Cl)c1C#N 921060516 OUNIZGVBOGBBKZ-NSHDSACASA-N 319.861 4.836 30 20 DJED CCc1ccc([C@H]2CCCN(c3cccc(F)c3C#N)C2)cc1 1163260458 LZVHTKNEKNGMIZ-KRWDZBQOSA-N 308.400 4.644 30 20 DJED CC(C)(C#N)CCN[C@H](c1ccc(F)cc1)C1CCCCC1 1175361887 LHHVCNXAMWWTJQ-SFHVURJKSA-N 302.437 4.977 30 20 DJED C[C@@H](C#N)CN(C)Cc1cccc(Oc2ccc(Cl)cc2)c1 1190723784 XCKZDKHMNJCMDF-AWEZNQCLSA-N 314.816 4.724 30 20 DJED C[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)C[C@H](c2ccccc2)C1 1202797659 NLOXWSXKNBAFDU-CWFSZBLJSA-N 322.427 4.759 30 20 DJED C=C(CNC(=O)Nc1ccc2occ(C)c2c1)c1ccccc1 1216762471 VYKIQROLMWRFCN-UHFFFAOYSA-N 306.365 4.576 30 20 DJED C=C(CNC(=O)NC1CC(C)(C)CC(C)(C)C1)c1ccccc1 1231148176 ZMUOFWKKHSAUFO-UHFFFAOYSA-N 314.473 4.604 30 20 DJED C[C@@H](OC(=O)c1ccc(F)c2ccccc12)c1cccc(C#N)c1 1266018518 AMENKLHBHXWLMP-CYBMUJFWSA-N 319.335 4.769 30 20 DJED N#Cc1cccc(NCc2ccc(Sc3ccccc3)cc2)n1 1307075420 QJFHVEHPSYPCQU-UHFFFAOYSA-N 317.417 4.717 30 20 DJED CCSc1ccccc1[C@@H](C)Nc1ccc(OCC#N)cc1 1320096132 ZMXXKCRSDLKMKO-CQSZACIVSA-N 312.438 4.874 30 20 DJED CC[C@H](CC(=O)Nc1cc(C)cc(C#N)c1)c1ccc(C)cc1 1436713242 DRSRJSPWRNFXGO-QGZVFWFLSA-N 306.409 4.698 30 20 DJED Cc1cc(Cl)ccc1C(=O)N(c1ccccc1C#N)C1CCC1 1437657873 LODAQZILYZHUPA-UHFFFAOYSA-N 324.811 4.719 30 20 DJED CCCc1ccc(C(=O)CSc2ccc(C#N)c(C)c2)cc1 1459142952 RPBLGBSLRVYKFF-UHFFFAOYSA-N 309.434 4.794 30 20 DJED CC[C@H](C)C[C@H](C)Nc1nc2c(c(C#N)c1C#N)CCCCCC2 1472707133 YXCFMOLNXNSRQD-GJZGRUSLSA-N 324.472 4.721 30 20 DJED C[C@@H](CC(C)(C)C)NC(=O)Nc1scc(C(C)(C)C)c1C#N 1476647583 VCQPGUCTPISHDQ-NSHDSACASA-N 321.490 4.863 30 20 DJED CSc1ccc(C)c(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c1 1515125811 SFIOXWJDPVMEST-ZDUSSCGKSA-N 311.406 4.507 30 20 DJED CC(C)[C@H](Cc1ccccc1)C(=O)O[C@@H](C)c1ccc(C#N)cc1 1524301267 GMKIZSHBQCWTBI-JXFKEZNVSA-N 321.420 4.677 30 20 DJED C[C@H]1C[C@@H](C)Cc2c1sc(NC(=O)C1CC(C)(C)C1)c2C#N 1526730104 CFYXZUOGWHRHCT-MNOVXSKESA-N 316.470 4.680 30 20 DJED CN(C(=O)CCCC1CCCCC1)c1cc(Cl)ccc1C#N 1532266748 HBDHLVPAPGUJFZ-UHFFFAOYSA-N 318.848 4.925 30 20 DJED N#Cc1cccc(Nc2cccc(COC3CCCCC3)c2)n1 1559086938 TZEJANKVMZTKIZ-UHFFFAOYSA-N 307.397 4.546 30 20 DJED Cc1ccc(CNc2nc(Cl)c(C#N)s2)c2ccccc12 1559213537 WKSFUJUCUBCSPU-UHFFFAOYSA-N 313.813 4.742 30 20 DJED C=C(CNCc1ccc(OCCC(C)C)cc1)c1ccccc1 1560315087 UNCXXHPOVADAAL-UHFFFAOYSA-N 309.453 4.915 30 20 DJED CC(C)(C)c1ccc(C#N)c(Sc2cc(F)ccc2F)n1 1611745416 OMODGKQUPWUWCF-UHFFFAOYSA-N 304.365 4.680 30 20 DJED Cc1cc(Oc2cnc3cc(Cl)ccc3n2)c(C)c(C)c1C#N 1612362352 MGCIUDIFCNICKR-UHFFFAOYSA-N 323.783 4.872 30 20 DJED COc1cc(OCC2CCC(c3ccccc3)CC2)ccc1C#N 1613745854 JNFYOVXSLQPAEB-UHFFFAOYSA-N 321.420 4.920 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1ccccc1OC(C)C 1644017779 INDKXXAPPAQZNS-UHFFFAOYSA-N 315.800 4.886 30 20 DJED Cc1cc(C#N)ccc1Oc1cc(C(C)(C)C)nc(C(C)C)n1 1651465334 OJYCRKCIIBTWDE-UHFFFAOYSA-N 309.413 4.870 30 20 DJED Cc1nnc(Nc2ccc(SC3CCCC3)cc2)c(C#N)c1C 1651659457 LUPKSXYDGWPXFZ-UHFFFAOYSA-N 324.453 4.743 30 20 DJED Cc1csc(NC(=O)N[C@@H](CCC(C)C)C(C)(C)C)c1C#N 1677351379 IRTSYQQHUHFCLF-AWEZNQCLSA-N 321.490 4.901 30 20 DJED Cc1ccc(C)c(C(=O)/C=C/c2ccc3oc(C(=O)O)cc3c2)c1 1776133833 UXMMYOWSLIFVQY-FNORWQNLSA-N 320.344 4.644 30 20 DJED O=C(/C=C/c1ccc(-n2cccn2)cc1)c1cc2ccccc2o1 26133092 RFGODQFNXGKDHF-DHZHZOJOSA-N 314.344 4.515 30 20 DJED C=CCCO[C@@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 69330080 XDDAYFFWKUBBGT-QMMMGPOBSA-N 322.619 4.567 30 20 DJED CCCOc1ccc(CNc2cccc(OCCCC#N)c2)cc1 79724478 MXKIWZOKKAFYJJ-UHFFFAOYSA-N 324.424 4.770 30 20 DJED CCCC(=O)Nc1cccc(N[C@H](C)c2ccc(C#N)cc2)c1C 118443244 UGBDNXDJWZLWQR-OAHLLOKOSA-N 321.424 4.778 30 20 DJED CCCCCCCCCNC(=O)Nc1c(C)noc1C1CC1 130195813 VDRJLEFMCAIRMT-UHFFFAOYSA-N 307.438 4.733 30 20 DJED COc1ccc2nc(N[C@H](CCC#N)c3ccccc3)ccc2c1 164329199 ICGBSZHSMFSOFZ-GOSISDBHSA-N 317.392 4.700 30 20 DJED C[C@H](Nc1cccc2ccccc12)c1ccc(OCC#N)cc1 192909070 HPJGEVQWGDETIK-HNNXBMFYSA-N 302.377 4.915 30 20 DJED C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 193046641 IGXQHTUQGRVKDG-RHSMWYFYSA-N 313.445 4.530 30 20 DJED O=C(/C=C\c1ccsc1)c1ccc(F)c(Br)c1 207541372 QDTGKQKRABCBDY-RJRFIUFISA-N 311.175 4.546 30 20 DJED COc1ccccc1-c1ccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)cc1 274629029 OMLMQHMZOWETFJ-BXWFABGCSA-N 320.436 4.705 30 20 DJED N#CCCCOc1cccc(N[C@H](c2cccnc2)C2CCC2)c1 280750412 DSGGCZANTYATHD-FQEVSTJZSA-N 321.424 4.717 30 20 DJED CC[C@@H](CC#N)Nc1nc(C)nc2scc(-c3ccccc3)c12 302174814 VZYTVRQUKUIYLU-AWEZNQCLSA-N 322.437 4.771 30 20 DJED O/C(=N/[C@@H]1CCCC[C@@H]1c1ccccc1)c1ncoc1C1CC1 328840676 OIXUXSDNTZWMLC-HZPDHXFCSA-N 310.397 4.583 30 20 DJED CC(C)(C)[C@@H]1CCC[C@H](/N=C(/O)C[C@H]2CCCC(O)=N2)CC1 329629770 HRNQTUDHVXJNKX-QLFBSQMISA-N 308.466 4.837 30 20 DJED C[C@H](N[C@@H]1C[C@@H](C)Sc2sccc21)c1ccc(C#N)cc1 336839311 JPJGHXMOXGAION-BFQNTYOBSA-N 314.479 4.896 30 20 DJED N#Cc1csc(CNc2ccc3nc(C(F)F)sc3c2)c1 353110913 MUIKIUBNKDQDKJ-UHFFFAOYSA-N 321.377 4.779 30 20 DJED N#CC1(CCN[C@H](CC(F)F)c2ccccc2)CCCCC1 420988762 AVBFPILBBCRQHX-MRXNPFEDSA-N 306.400 4.837 30 20 DJED Cc1nc(-c2cccc(NC3CCC(C)(C#N)CC3)c2)oc1C 449052404 XZRRKKRDJZMPFI-UHFFFAOYSA-N 309.413 4.843 30 20 DJED CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(CC#N)cc1Cl 452655952 SUMCCPDTJHRESC-ZIAGYGMSSA-N 304.821 4.561 30 20 DJED CC[C@@H](CC#N)N[C@@H](CCc1ccccc1)Cc1ccccc1 462065297 MBCKJBWKJROXGZ-SFTDATJTSA-N 306.453 4.512 30 20 DJED N#C[C@@H]1CCC[C@@H](NC2(c3ccc(Cl)c(Cl)c3)CC2)C1 467446321 DLSXRFXPVQTMDL-DGCLKSJQSA-N 309.240 4.654 30 20 DJED C=C(CN[C@H](C)c1nc(C(F)(F)F)cs1)c1ccccc1 467744373 TWLWRPGDDZUMRM-LLVKDONJSA-N 312.360 4.526 30 20 DJED CCN(CCC#N)Cc1cnc(-c2ccc(C(C)C)cc2)s1 478029116 WBYDBZNGKXLZHF-UHFFFAOYSA-N 313.470 4.669 30 20 DJED CC(C)C[C@H]1CCCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 501168252 PYMDWRPNPNQWPN-QGZVFWFLSA-N 313.445 4.530 30 20 DJED Cc1sc(NC(=O)CC(C)(C)c2ccccc2)c(C#N)c1C 520691314 MVEAOVGVGPZPAO-UHFFFAOYSA-N 312.438 4.543 30 20 DJED CC[C@H](CC(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)C 520826184 DRYNBMVERWPNIP-HUUCEWRRSA-N 318.486 4.949 30 20 DJED Cc1cccc(COc2ccc([C@@H](C)NCCCC#N)cc2)c1 537099298 RFISOBARXBJSTL-QGZVFWFLSA-N 308.425 4.528 30 20 DJED CC[C@H](C)n1ncc(N[C@H](C)c2ccc(C#N)cc2)c1C1CC1 538580173 POVSAFYRKDLNLW-UONOGXRCSA-N 308.429 4.776 30 20 DJED C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccccc1C 539390050 JQEJDQLQJCETLX-SJLPKXTDSA-N 300.446 4.586 30 20 DJED C=CCCC[C@H](C)NC(=O)N(C)Cc1csc2ccccc12 540488667 XDAIBHSTOXIVLY-AWEZNQCLSA-N 316.470 4.788 30 20 DJED N#CC1(CSCc2cc(-c3ccc(Cl)cc3)no2)CC1 540619065 VONPNESPXLGHTR-UHFFFAOYSA-N 304.802 4.532 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)c1cnc2ccsc2c1 548749336 AAYKXUWNVRGGRI-UHFFFAOYSA-N 322.433 4.515 30 20 DJED N#Cc1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)s1 553686863 QPAKKNYZWICCJP-UHFFFAOYSA-N 304.374 4.539 30 20 DJED C=C(C)CN(CC)C(=O)[C@H](C)S[C@@H]1CCCc2ccccc21 555123007 DMMFCIVYDHNDNZ-MAUKXSAKSA-N 317.498 4.610 30 20 DJED CCCC[C@H](C)N(C)C(=O)c1sc2ccc(C#N)cc2c1C 565943041 JOSSUPSAGKFDBW-LBPRGKRZSA-N 314.454 4.732 30 20 DJED CC(C)(C#N)CCSCc1nc(-c2ccccc2)cs1 568438612 APKHSOXKUCXQSS-UHFFFAOYSA-N 302.468 4.983 30 20 DJED Cc1csc(NC(=O)CCc2ccc(C(C)C)cc2)c1C#N 580006682 ITXIWMKAIGUYDB-UHFFFAOYSA-N 312.438 4.623 30 20 DJED Cc1sc(NC(=O)C[C@@H](C)c2cccc(F)c2)c(C#N)c1C 609692945 IZJWXDBAAWAIFR-SNVBAGLBSA-N 316.401 4.508 30 20 DJED CSc1ccc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1 618804855 MQLYYXBOQWASRV-YJYMSZOUSA-N 308.450 4.618 30 20 DJED CCc1oc2ccccc2c1CNCc1ccc(C#N)c(Cl)c1 619748800 PFJOCMDTCQZUNX-UHFFFAOYSA-N 324.811 4.810 30 20 DJED CC(CCc1ccc(F)cc1)=NNc1ccc(OC(F)F)cc1 726427003 OYUMTNUYANYUFS-UHFFFAOYSA-N 322.330 4.848 30 20 DJED Cc1cccc2c1C/C(=C\c1ccc(Br)s1)C2=O 729150346 JRAQYUIBYIKQGJ-JXMROGBWSA-N 319.223 4.641 30 20 DJED O=C(/C=C/c1ccc(OC(F)F)c(Cl)c1)c1ccsc1 731489291 BQUKIUUULKBIKL-HNQUOIGGSA-N 314.740 4.899 30 20 DJED C[C@@H](CC#N)OC(=O)c1ccc(Oc2cccc(Cl)c2)cc1 733709066 IYIMPISLEQNEAC-LBPRGKRZSA-N 315.756 4.591 30 20 DJED Cc1ccc([C@@H]2CCCC2=NNc2oc(C(C)C)nc2C#N)cc1 741839418 GRVSUKOZDMWWEV-HNNXBMFYSA-N 322.412 4.714 30 20 DJED Cc1cc(C)cc(NC(=S)N(c2cccc(C#N)c2)C(C)C)c1 749766872 FYRUBAXKSUVOBU-UHFFFAOYSA-N 323.465 4.787 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1ccc(F)c(Cl)c1 755591332 SMSXHTZNLXDSJV-SOFGYWHQSA-N 320.795 4.769 30 20 DJED CCSc1ccc(C(=O)/C=C\c2ccc(Cl)nc2)cc1 755605469 ZKZZKGGSFSICFW-OQFOIZHKSA-N 303.814 4.743 30 20 DJED O=C1/C(=C\c2nc(Cl)cs2)CCc2c(Cl)cccc21 758039489 LEWMRNPWMZRJEX-VURMDHGXSA-N 310.205 4.662 30 20 DJED CCn1nc(/C=C/C(=O)c2ccccc2Cl)c2ccccc21 769741073 BNZHVSJYLZDZAC-VAWYXSNFSA-N 310.784 4.606 30 20 DJED C[C@@H](Nc1cccc(COCC2CC2)c1)c1ccc(C#N)c(F)c1 776889425 QOJBDHXTAHIZQC-CQSZACIVSA-N 324.399 4.797 30 20 DJED C=CC[C@@H](C(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccccc1 777711793 XRCVPVOYUKAEDU-DNVCBOLYSA-N 305.377 4.522 30 20 DJED C=CCCCCC[C@H](C)Nc1ccc(OC)c(NC(C)=O)c1 793549119 QLGIZPNCKBYUFI-AWEZNQCLSA-N 304.434 4.591 30 20 DJED C=CCC(C)(C)C(=O)OCc1cc(Cl)cc2cccnc12 796454512 FJHDJNDVBMLXJO-UHFFFAOYSA-N 303.789 4.534 30 20 DJED CC(C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)=C1CCCC1 797569116 NDVUYDGVBHKJTR-ZDUSSCGKSA-N 302.443 4.507 30 20 DJED C[C@H](OC(=O)CCCCCC#N)c1ccccc1Br 805696132 WQUKTEJRTMIYTB-LBPRGKRZSA-N 324.218 4.527 30 20 DJED CC(C)(C)c1ncc(/C=C\C(=O)c2nccc3ccccc23)s1 811699850 XZPKNCGDTOLIIC-HJWRWDBZSA-N 322.433 4.885 30 20 DJED Cc1sccc1CNCc1cccc(-c2ccc(C#N)s2)c1 815126178 VJCFRZHOASDAFQ-UHFFFAOYSA-N 324.474 4.947 30 20 DJED N#Cc1cccc(NN=Cc2c(Cl)ccc(Cl)c2Cl)c1 818273337 YKLHPZYBUMNANW-UHFFFAOYSA-N 324.598 4.964 30 20 DJED CSc1cc(C)ccc1NCc1ccc(O[C@H](C)C#N)cc1 840956600 YWFFSWKTMBFODH-CQSZACIVSA-N 312.438 4.620 30 20 DJED C=CC[C@@H](N[C@H]1CCc2cc(F)c(Cl)cc21)c1ccncc1 858366086 XGMIWTJCGXGAIC-MSOLQXFVSA-N 316.807 4.768 30 20 DJED N#Cc1ccc(NCc2ccccc2OCC2CC2)c(Cl)c1 864008758 FYSYTAAGBOGFAA-UHFFFAOYSA-N 312.800 4.613 30 20 DJED CCCCCCCCCC(=O)N1CCC[C@H]1c1cccn1C 889736337 BLOPBWCEVLSUAG-SFHVURJKSA-N 304.478 4.829 30 20 DJED C[C@@H](CC(C)(C)C#N)N[C@H](C)c1nc(-c2ccccc2)cs1 925377639 QUNIHKCSWYUXCY-UONOGXRCSA-N 313.470 4.789 30 20 DJED CC[C@H](CC(C)C)C(=O)N(Cc1ccco1)c1ccccc1C#N 1124894637 HTJIYIIOMDWYLM-MRXNPFEDSA-N 324.424 4.757 30 20 DJED C[C@H](C#N)CN(Cc1ccc(Sc2ccccc2)cc1)C1CC1 1180136765 LVQKVIQHHIKTRI-MRXNPFEDSA-N 322.477 4.962 30 20 DJED C[C@H](COc1cc(C#N)ccc1Br)C1CCCCC1 1307384273 YFXLDZRVMANIOM-GFCCVEGCSA-N 322.246 4.916 30 20 DJED CC(C)CC(CC(C)C)C(=O)N(C)c1cc(Cl)ccc1C#N 1355284873 ONDOGIQHNVKQEG-UHFFFAOYSA-N 320.864 4.883 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1ccccc1CC(C)(C)C 1435497314 RMRQGXNMFCSKGG-UHFFFAOYSA-N 306.409 4.708 30 20 DJED CC(C)[C@H](CCc1ccccc1)C(=O)O[C@H]1CCC[C@@H](C#N)C1 1436649602 PUUQQNJDQLEFKB-QYZOEREBSA-N 313.441 4.517 30 20 DJED CC[C@H](Nc1nc(C)c(C#N)cc1Cl)c1ccc(C)c(F)c1 1458297360 KMLMUUYPVQNDCM-INIZCTEOSA-N 317.795 4.926 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1ccc(F)c(Cl)c1 1459141295 SYYDOMCBFBIVAP-UHFFFAOYSA-N 310.155 4.892 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCCc2cc(F)ccc21 1459688347 AZSUCDFAZXWTTQ-UHFFFAOYSA-N 308.400 4.580 30 20 DJED C[C@H](N[C@H]1CCC[C@@H]1Cc1ccccc1)c1ccc(C#N)cc1 1473390756 FYIPFDNFGHAURC-DQLDELGASA-N 304.437 4.620 30 20 DJED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCC[C@H](C(C)C)CC2)c1 1476740403 LGYMMUMLUYVSBJ-DLBZAZTESA-N 313.445 4.593 30 20 DJED CC(C)Cc1ccc([C@H](C)C(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1 1528080784 KFPUFFWGCIOAFQ-WDYCEAGBSA-N 313.441 4.614 30 20 DJED CC(C)[C@@H](c1ccccc1)N(C(=O)CC(C)(C)C#N)C(C)C 1532412277 ANUZEEJWWMTLSH-SFHVURJKSA-N 300.446 4.561 30 20 DJED CCC[C@@H](CC(C)C)C(=O)N(c1ccc(C#N)cc1)C1CCC1 1586912428 VGJAMLWVZIRMCE-KRWDZBQOSA-N 312.457 4.906 30 20 DJED C=C(Br)CN[C@@H]1CC(C)(C)CCc2ccccc21 1617466287 ZEAFOSWZAMAFPJ-OAHLLOKOSA-N 308.263 4.588 30 20 DJED N#Cc1ccc(F)c(COc2c(F)cc(Cl)cc2Cl)c1 1644022442 WLAWOWXWNKAEQM-UHFFFAOYSA-N 314.118 4.722 30 20 DJED Cc1ccc(SC[C@@H](C)Nc2ccc(Cl)c(C#N)n2)cc1 1650980035 HRVCXWRMJYKTEQ-GFCCVEGCSA-N 317.845 4.508 30 20 DJED CCc1ccc(Nc2c(Br)cccc2C#N)cc1 1651300380 DPIYRQLCTBKMGM-UHFFFAOYSA-N 301.187 4.627 30 20 DJED Cc1c(C#N)c(SCc2ccc(Cl)cc2)nc2c1CCC2 1651686615 ZOQWALGYVRZOTE-UHFFFAOYSA-N 314.841 4.696 30 20 DJED C=C(CNCc1ccc(C)cc1Br)c1ccccc1 1657111414 OGAXIOSUSFLSKE-UHFFFAOYSA-N 316.242 4.561 30 20 DJED CCCN(CCc1cccc(F)c1)[C@H](C)c1ccc(C#N)cc1 1657293118 KAWHFXIKMNFSSD-MRXNPFEDSA-N 310.416 4.713 30 20 DJED C[C@@H](c1ccccc1Cl)N(Cc1cccc(C#N)c1)C1CC1 59334037 UAGXDRFWVSWGDV-AWEZNQCLSA-N 310.828 4.937 30 20 DJED Cc1c(C(=O)/C=C/c2ccc(O)c(Cl)c2)oc2ccccc12 72042091 HGVVCLDAQTYMQJ-VQHVLOKHSA-N 312.752 4.996 30 20 DJED COc1nc(-c2ccc(C)cc2)cc(-c2ccc(F)cc2)c1C#N 98178720 KFDAOXOKRIXUOQ-UHFFFAOYSA-N 318.351 4.743 30 20 DJED C[C@H](NCc1cccc(OC2CCCC2)c1)c1ccc(C#N)cc1 125863234 AQHDOBGIZQQHEV-INIZCTEOSA-N 320.436 4.730 30 20 DJED C[C@H](N[C@@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccc(C#N)cc1 154332290 CRRWAEKSYFPPOC-SCLBCKFNSA-N 324.399 4.650 30 20 DJED C=CCCCCCN(C)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 156729474 KHGQYVQTXBCGED-UONOGXRCSA-N 305.384 4.560 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc(C)c(OC)c1C 172435101 WQCHVTNXNFLEDF-UHFFFAOYSA-N 304.434 4.522 30 20 DJED CO[C@H](C)c1nc(CO/N=C/c2ccc(C(C)C)cc2)cs1 177539590 ZNWNWPBTETVAFI-AGZSBTIMSA-N 318.442 4.525 30 20 DJED C=CCCCC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F 177858390 GODZMXNVHHVQFB-UHFFFAOYSA-N 321.726 4.576 30 20 DJED N#CCOc1cc(F)ccc1NCc1cc2ccccc2s1 181546212 OOOZTVGNSGFTHI-UHFFFAOYSA-N 312.369 4.555 30 20 DJED C=CCC[C@@H](C(=O)Nc1cnn([C@@H](C)C2CC2)c1)c1ccccc1 186430042 KYMHNXGWLCAGFM-HNAYVOBHSA-N 323.440 4.543 30 20 DJED Cc1cc(Br)cc(N[C@H](C)c2cccc(C#N)c2)c1 230228388 KYFISLSMNGFVPM-GFCCVEGCSA-N 315.214 4.802 30 20 DJED C=CCC[C@@H](N[C@H]1CCOc2ccc(F)cc21)c1ccco1 287526779 OTMOBRJAXXNDCI-JKSUJKDBSA-N 301.361 4.539 30 20 DJED Cc1ccc(-c2nc(CNc3cc(Cl)ccc3C#N)co2)cc1 301444004 XDYVVSGIOBAWNQ-UHFFFAOYSA-N 323.783 4.787 30 20 DJED OC(=Nc1nc2ccccc2s1)c1coc(C2CCCC2)n1 328785034 INTKJXSGXQGNPP-UHFFFAOYSA-N 313.382 4.578 30 20 DJED CC(C)(C#N)CCCC[S@@](=O)C1CCC(C(F)(F)F)CC1 414267937 NOKKXKWOXXHIAF-LFCMPWLRSA-N 323.424 4.576 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccccc1C(C)(C)C#N 425543980 ZZDNYIYGQRVBEK-INIZCTEOSA-N 317.436 4.552 30 20 DJED C[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@@H](C)c1ccccc1C(F)(F)F 463241819 DLTNAFXYVNGIKF-CBBWQLFWSA-N 324.390 4.869 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc(OCC)cc1C)c1ccccc1 467106089 YSNXHBTXDPJENB-GOSISDBHSA-N 309.409 4.692 30 20 DJED C=CCOc1ccccc1CNCc1cc2c(C)c(C)ccc2[nH]1 472034133 CLSJLSNSBKHJAG-UHFFFAOYSA-N 320.436 4.639 30 20 DJED CC(=O)c1ccc2cc(Oc3cccc(F)c3C#N)ccc2c1 484825227 XDUIJLQPZZKOSY-UHFFFAOYSA-N 305.308 4.845 30 20 DJED C=CCCCCCN[C@@H](C)c1nc2ccccc2n1C(F)F 489021462 UNHQWPLQICHOLA-ZDUSSCGKSA-N 307.388 4.828 30 20 DJED C=CCOc1ccc(-c2nnc(S[C@H]3C=CCCC3)o2)cc1 489810095 QJMAYQRMJFDZDI-HNNXBMFYSA-N 314.410 4.502 30 20 DJED C=CCN(CCc1ccco1)C(=O)c1ccc(C(C)(C)C)s1 490226892 HYRPYONBZZLBIH-UHFFFAOYSA-N 317.454 4.510 30 20 DJED C=CCN(C)[C@@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1 494668582 RVAKQUMIAMXTAG-JTQLQIEISA-N 311.212 4.827 30 20 DJED N#CC1CCC(CNCC2CCC(c3ccccc3)CC2)CC1 522035199 OOVGCDKQLRJXMG-UHFFFAOYSA-N 310.485 4.880 30 20 DJED C=C[C@H](CC(=O)N[C@H]1CCCC[C@@H]1SCC)c1ccccc1 535376530 OVBIKHDRJPGYTQ-NJAFHUGGSA-N 317.498 4.527 30 20 DJED C=CCN(C(=O)Nc1cc(Cl)ccc1SCC)C1CC1 536816683 OJVTZTYULGOWDT-UHFFFAOYSA-N 310.850 4.634 30 20 DJED N#Cc1cc(C(=O)Nc2cccc3ccccc23)ccc1Cl 537166353 CIQMZCOBVLHTNX-UHFFFAOYSA-N 306.752 4.617 30 20 DJED C=CCCC[C@@H](C)NC(=O)c1cccc(-c2csc(C)n2)c1 538331347 FIASXPMPTJRZHR-CYBMUJFWSA-N 314.454 4.593 30 20 DJED C[C@@H](N[C@H](C)c1c(F)cccc1Cl)c1ccc(C#N)c(F)c1 540707427 BEJVFRPEBBGWQZ-GHMZBOCLSA-N 320.770 4.902 30 20 DJED N#C[C@@H]1CC[C@H](N[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 549997611 NHSWYEIGSTUNIN-ZFVVBOAOSA-N 322.374 4.623 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)c2ccc3c(c2)CCC=C3)n1 551760525 GUVKWNQMNMLMNG-MRXNPFEDSA-N 322.433 4.716 30 20 DJED CCOc1ccc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 557518171 VIEVFRJGXFLGAB-QVKFZJNVSA-N 320.436 4.685 30 20 DJED CC(C)C(C)(C)NCc1cccc(OCc2cccc(C#N)c2)c1 562079771 DVWFFSOCIQOVIA-UHFFFAOYSA-N 322.452 4.661 30 20 DJED CCn1c([C@@H](C)Nc2ccc(C#N)c(Cl)c2)nc2ccccc21 566711276 IZSRQWSCDIMLJU-GFCCVEGCSA-N 324.815 4.754 30 20 DJED CC(=O)c1ccc(C#N)c(NC[C@H]2CCCC[C@H]2C(F)(F)F)c1 573519797 HUTKTVZKQAMPHR-HUUCEWRRSA-N 324.346 4.541 30 20 DJED C[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1cccc(C2CC2)c1 578032330 KJRIEKXVGCVFJG-AWEZNQCLSA-N 319.408 4.513 30 20 DJED CC#CCCCC(=O)Nc1ccccc1N[C@@H](C)c1ccccc1 580570068 NYYVMZKOZFPGLL-KRWDZBQOSA-N 320.436 4.992 30 20 DJED N#CCC1(CSCc2csc(-c3ccsc3)n2)CC1 596336561 ZXTZNRNTKTVIFI-UHFFFAOYSA-N 306.481 4.799 30 20 DJED N#C[C@H]1CC[C@@H](N[C@H](c2ccc3ccccc3c2)C(F)(F)F)C1 599051604 JHCURYRXXMBUFC-JCURWCKSSA-N 318.342 4.725 30 20 DJED COc1cc(SC)ccc1N[C@H]1CCCc2cc(C#N)ccc21 618578799 DOOBPLICUKKSQX-KRWDZBQOSA-N 324.449 4.778 30 20 DJED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCCC2 618803314 HXBDLVMSRTVSAF-OYHNWAKOSA-N 316.448 4.775 30 20 DJED CC[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)cc1 618807679 VTUVHBANHVHRLO-RBUKOAKNSA-N 310.828 4.940 30 20 DJED CC(C)(C#N)CCCN1CCCc2cc(Br)ccc21 712151043 XKDUAOZUYQZMJN-UHFFFAOYSA-N 321.262 4.532 30 20 DJED C#Cc1cccc(NC(=S)N(C)c2cccc(C(C)C)c2)c1 726479076 QNZSMNYDVZUXHJ-UHFFFAOYSA-N 308.450 4.625 30 20 DJED CCC(=NNc1ccc(F)cn1)c1ccc2cc(OC)ccc2c1 731320238 XHPKKGZKRDIBNP-UHFFFAOYSA-N 323.371 4.609 30 20 DJED C[C@H](OC(=O)[C@H](C)c1cccc(Cl)c1)c1cccc(C#N)c1 744100371 FKZOPDHKRJUWJR-OLZOCXBDSA-N 313.784 4.620 30 20 DJED COc1ccc(C)cc1/C=C\C(=O)c1c[nH]c2cc(F)ccc12 749454398 ZCPSYGNPVWQQQZ-DAXSKMNVSA-N 309.340 4.520 30 20 DJED C[C@H](OC(=O)[C@@H](C)c1ccc(Cl)s1)c1cccc(C#N)c1 750698529 YBWRAFLCFBCKMG-QWRGUYRKSA-N 319.813 4.681 30 20 DJED C=CC[C@@H](N[C@H](C)c1ccc(SC)c(F)c1)c1ccncc1 766017390 BBFRCLVKAMBWCA-CXAGYDPISA-N 316.445 4.911 30 20 DJED C=C(C)[C@@H](N[C@H](C)c1ccnc(Cl)c1)c1ccc(F)c(F)c1 775559480 ZSYIOEVKRAMSFI-PIGZYNQJSA-N 322.786 4.981 30 20 DJED C[C@@H](Nc1cccc(N2CCCCC2)c1)c1ccc(C#N)c(F)c1 776869981 NUOOZGFVUUNIBD-OAHLLOKOSA-N 323.415 4.861 30 20 DJED CC(C)(C#N)CCCOC(=O)C1(Cc2ccccc2Cl)CC1 784876075 PEIRFOCVXDXXPK-UHFFFAOYSA-N 319.832 4.536 30 20 DJED C#CCCCNC(=O)Nc1cc(-c2ccccc2)ccc1Cl 791947378 CGXSDGXYOLQCFK-UHFFFAOYSA-N 312.800 4.542 30 20 DJED FC(F)(F)CC(=NNc1cccc(Cl)n1)c1ccccc1 793161834 LTNVNSRWFYSSCJ-UHFFFAOYSA-N 313.710 4.504 30 20 DJED N#Cc1ccccc1C(=O)/C=C\c1nc(-c2ccccc2)cs1 799500124 SKMWEWWIINPPSR-KHPPLWFESA-N 316.385 4.578 30 20 DJED N#Cc1sc(NCCc2cc3ccccc3s2)nc1Cl 814911330 BQRUWSXZQHQENS-UHFFFAOYSA-N 319.842 4.537 30 20 DJED N#CC[C@@H](CC(=O)Oc1cccc(C2CC2)c1)c1ccccc1 822159878 HWCYRTDENOSLOD-SFHVURJKSA-N 305.377 4.557 30 20 DJED C[C@H](C#N)Oc1ccccc1NC(=O)c1cccc(C(C)(C)C)c1 846959667 XHMGVFALKSVXSR-CQSZACIVSA-N 322.408 4.527 30 20 DJED COc1ccc2ccccc2c1C=NOCc1ccc(F)cc1 853928192 CFOBTTBNIIORBE-UHFFFAOYSA-N 309.340 4.538 30 20 DJED CCCc1ccc(C(=O)/C=C\c2ccc(O)c(OCC)c2)cc1 916133971 WIXVURBMQKTTHP-WQLSENKSSA-N 310.393 4.640 30 20 DJED C=CCN(C(=O)Nc1nc(C)c(-c2ccccc2)s1)C(C)C 916706600 ASBVDKCRDPVJHV-UHFFFAOYSA-N 315.442 4.547 30 20 DJED CCC/C=C\C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 919864274 PUHKPZNYHNHWQL-WTKPLQERSA-N 306.365 4.645 30 20 DJED CCC[C@@H](C)NC(=O)c1ccc(Sc2ccccc2C#N)cc1 1125135920 DOCDSOFYIVGGHB-CQSZACIVSA-N 324.449 4.628 30 20 DJED Cc1ccc2c(c1)[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)CC2 1186905480 HERQFHXIZCUBLT-KRWDZBQOSA-N 305.425 4.659 30 20 DJED C=C(Cl)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 1188366286 USXPSKRYTZJSQU-UHFFFAOYSA-N 316.813 4.547 30 20 DJED N#Cc1ccc(C2CCN(Cc3cc(Cl)cs3)CC2)cc1 1232280984 WDAXGCLNSXUEMB-UHFFFAOYSA-N 316.857 4.653 30 20 DJED C=CCC(CC=C)c1nnc(-c2cccc(Br)c2)o1 1257911313 GTWBNEKHEKPFFX-UHFFFAOYSA-N 319.202 4.735 30 20 DJED CCC1(CC)CCCN(C(=O)[C@H](CC#N)c2ccccc2)CC1 1269245980 YOCFBPDKQZSZBJ-GOSISDBHSA-N 312.457 4.503 30 20 DJED Cc1nc(N[C@H](C)c2ccc(Cl)c(F)c2)c(Cl)cc1C#N 1307073220 RQRVLHLJRXGEGS-MRVPVSSYSA-N 324.186 4.881 30 20 DJED Cc1cc(CN[C@@H]2C[C@@H](C)C[C@@H](c3ccccc3)C2)ccc1C#N 1308438169 NNJMNNUEFLYDIS-KNXBSLHKSA-N 318.464 4.929 30 20 DJED C=CCCO[C@H](C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 1322468314 MNMVRVMXGBRRGD-VXGBXAGGSA-N 318.442 4.577 30 20 DJED N#Cc1cccc([C@@H]2C[C@H]2C(=O)O[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 1351078883 WXAPFBQPZKIUGM-PRHYDEJPSA-N 323.436 4.564 30 20 DJED CC(C)(C)C[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 1355518845 QMTUFYXYOAQMDZ-GOSISDBHSA-N 324.399 4.605 30 20 DJED N#CCC1(CN[C@H]2CCCC[C@@H]2c2ccccc2Cl)CC1 1462164063 QIDZDHAJIIPLKB-WBVHZDCISA-N 302.849 4.650 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1ccccc1C(C)(C)C#N 1473047514 YRVGKMCOFJXRJT-UHFFFAOYSA-N 324.811 4.900 30 20 DJED Cc1cc(Cl)c(C(=O)O[C@@H](C)c2cccc(C#N)c2)cc1C 1518199502 YGJJFLVTQTYQOP-ZDUSSCGKSA-N 313.784 4.747 30 20 DJED CN(Cc1cccc(C#N)c1F)C1CC(C)(C)CC(C)(C)C1 1620312182 NTJPSFICUFENEQ-UHFFFAOYSA-N 302.437 4.734 30 20 DJED Cc1cccc([C@@H]2CCCCN2c2nccc(C)c2C#N)c1C 1639551655 RZVQKSCFLOYIHN-IBGZPJMESA-N 305.425 4.610 30 20 DJED N#Cc1ccc(CSc2cccc(F)c2)c(Br)c1 1652698886 QJLQHNGQHSCSIM-UHFFFAOYSA-N 322.202 4.752 30 20 DJED CC(C)(C)[C@H]1CCC[C@H](NC(=O)Nc2ccc(C#N)cc2)CC1 1666343386 SQGOMVXSCJKWQN-HOTGVXAUSA-N 313.445 4.675 30 20 DJED C[C@@H](C=NNc1ccc(Cl)c(C(=O)O)c1)C1CCCCC1 1776033744 BCDHIOOZQHODMB-NSHDSACASA-N 308.809 4.652 30 20 DJED CC(C)CC[C@@H]1CCC(=NNc2ccc(F)c(C(=O)O)c2)C1 1776063108 AKUKWMZYHIRVEB-GFCCVEGCSA-N 306.381 4.528 30 20 DJED Cc1ccc(C[C@H](C#N)Sc2ccc3ccccc3n2)cc1 7040684 SWYVKVBLNPLBFO-QGZVFWFLSA-N 304.418 4.770 30 20 DJED O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccccc1F 22754221 BFWFPHMWNWVWPF-UHFFFAOYSA-N 321.376 4.539 30 20 DJED CCOc1cccc2cc([C@@H](C)NCc3cccc(C#N)c3)oc12 53143312 LENODXGPXIPCII-CQSZACIVSA-N 320.392 4.554 30 20 DJED C=C(C)COc1cc(/C=C/c2nc3ccccc3o2)ccc1OC 60822066 LKJBDEFENKBATJ-PKNBQFBNSA-N 321.376 4.962 30 20 DJED CCCCC1CCC(C(=O)Nc2cccc(OCC#N)c2)CC1 71898213 DNCKVPWUHUFFMT-UHFFFAOYSA-N 314.429 4.524 30 20 DJED CCCCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 75755633 XOOGMVGMFNBWAG-MRXNPFEDSA-N 308.425 4.588 30 20 DJED Cc1ccc(SCc2nnc(-c3ccc(C#N)cc3)o2)c(C)c1 133600197 QTWPQQYSNISPPQ-UHFFFAOYSA-N 321.405 4.517 30 20 DJED CC(C)(C#N)c1ccccc1CN(CCC(F)(F)F)CC1CC1 135280759 ZJHHFMIMJQLFLG-UHFFFAOYSA-N 324.390 4.652 30 20 DJED C[C@H]1CCN(CCCCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 135395516 CENSYJJSNSWARZ-BBRMVZONSA-N 310.363 4.782 30 20 DJED C=C(C)CN1CCC(N[C@@H](C)c2cc3ccccc3s2)CC1 187978047 PQGUIEBOCPLYHP-HNNXBMFYSA-N 314.498 4.592 30 20 DJED O=C(/C=C\c1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1 212508983 VMNMXUBGIXCJHF-BAQGIRSFSA-N 312.237 4.880 30 20 DJED C[C@@H](Nc1c(F)cc(C#N)cc1F)c1ccc(OC(F)F)cc1 301549786 UYNVEHNKXYPDCN-SECBINFHSA-N 324.277 4.611 30 20 DJED N#Cc1ccc(CNc2cccc(OCc3ccccc3)c2)cc1 310194353 QTLSDAPXEGGHKP-UHFFFAOYSA-N 314.388 4.749 30 20 DJED C[C@@H]1C[C@H](Nc2cccc(OCC#N)c2)C[C@@H](c2ccccc2)C1 326811003 DFYBZWUICRJPGI-QRFRQXIXSA-N 320.436 4.973 30 20 DJED CCc1c(C)sc(NC(=O)c2ccc(F)c(Cl)c2)c1C#N 429205429 LPHFFVLGPSXVMZ-UHFFFAOYSA-N 322.792 4.535 30 20 DJED C=C(C)CNC(=O)Nc1cccc(CSC2CCCC2)c1 429413536 VCNJOSZLVJYTSB-UHFFFAOYSA-N 304.459 4.560 30 20 DJED C=CCCCC(=O)N1CCc2cc(Cl)cc(Cl)c2[C@H]1C 434152709 HKWYPVAPKHRVHQ-LLVKDONJSA-N 312.240 4.795 30 20 DJED C=CCC[C@@H](NCc1ncc(-c2ccccc2)[nH]1)c1ccccc1 447823794 WOEACVQWSTXEED-LJQANCHMSA-N 317.436 4.874 30 20 DJED CC1(C#N)CCC(NCc2cccc(COC(C)(C)C)c2)CC1 449113479 WITNAGZNTWHSPO-UHFFFAOYSA-N 314.473 4.564 30 20 DJED C=CCCCC[C@@H](C)Nc1ccc(Cl)c(C[S@](C)=O)c1 449233098 KDPXLCKGGPHVGA-XCLFUZPHSA-N 313.894 4.765 30 20 DJED C[C@H](N[C@@H]1CCCc2c(F)cc(F)cc21)c1cccc(C#N)c1 453240402 UELCKMMAEGZNOF-HXPMCKFVSA-N 312.363 4.565 30 20 DJED CCC(CC)CN(CCC#N)Cc1ccccc1C(C)(C)C#N 487410097 NBQCMORTGRXOBC-UHFFFAOYSA-N 311.473 4.640 30 20 DJED C=CC[C@@H](C(=O)N(CC=C)Cc1ccccc1F)c1ccccc1 488704016 QJDJAKXRRGDIFU-LJQANCHMSA-N 323.411 4.700 30 20 DJED C=CCC[C@H](C(=O)NCc1cc2ccccc2[nH]1)c1ccccc1 490291693 XNKLYQHOBGGXGZ-IBGZPJMESA-N 318.420 4.534 30 20 DJED C=C(C)[C@H](NCc1cnc2ccccc2c1)c1ccc(F)c(F)c1 499633605 HGVJAWVCISRVMX-FQEVSTJZSA-N 324.374 4.920 30 20 DJED C=C(C)CN(CC)C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 509502817 KBJYYBIPNXZTJY-HNNXBMFYSA-N 320.502 4.856 30 20 DJED Cc1ccnc(N2CCC[C@H]2c2cccc3ccccc23)c1C#N 543133477 BCJAUMAVTFESIE-FQEVSTJZSA-N 313.404 4.756 30 20 DJED C[C@H](NCc1ccc(C#N)cc1)c1ccc(F)c2ccccc12 551007123 LKTHVHWGSQRBBJ-AWEZNQCLSA-N 304.368 4.701 30 20 DJED CC(C)C(C)(C)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 551710261 KZQSKJMMSGGYKS-UHFFFAOYSA-N 322.408 4.515 30 20 DJED N#CC1(CNc2cc(C(F)F)nc3ccc(Cl)cc23)CC1 571953191 NBRWQXJIFVLQCH-UHFFFAOYSA-N 307.731 4.541 30 20 DJED N#CC[C@@H]1CCCN(c2ccc3c(Cl)ccc(Cl)c3n2)C1 596329963 OBWKROAZCQQNOX-NSHDSACASA-N 320.223 4.672 30 20 DJED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(F)c(Cl)c1 618801275 ABCSYKKWRKRBQN-BBATYDOGSA-N 314.791 4.689 30 20 DJED N#Cc1ccc(N2CCC(c3nc4ccccc4s3)CC2)cc1 619511006 JZKCIBYWNGOAGD-UHFFFAOYSA-N 319.433 4.552 30 20 DJED CC(C)Oc1ccc(/C=C2/CCOc3ccccc3C2=O)cc1 728442136 XEHVASLISGZPFF-SSZFMOIBSA-N 308.377 4.523 30 20 DJED C#Cc1cccc(NC(=O)N[C@@H](C)c2cc3ccccc3s2)c1 730665177 SFMGWPCUHIZIFU-ZDUSSCGKSA-N 320.417 4.765 30 20 DJED Cc1ccc(CC(=NNc2oc(C(C)C)nc2C#N)C(C)C)cc1 741459833 IHIXAYKXYJIWAB-UHFFFAOYSA-N 324.428 4.645 30 20 DJED CC[C@H](/N=C/c1cc(Cl)cc(Cl)c1O)c1ccncc1 741466056 BYVZVVOUESABNB-FRSZACSASA-N 309.196 4.664 30 20 DJED C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H]2CCC[C@@H](C)C2)c1 741557823 ZXTNVXRZIPRHLX-SJLPKXTDSA-N 321.420 4.620 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(-c3ccncc3)cc2)cc1 745990104 JYUMFHLRLAQTOZ-WCIBSUBMSA-N 315.372 4.653 30 20 DJED C[C@@H]1CC(=NNc2cncc(Cl)n2)C[C@@H](c2ccccc2)C1 749859093 PYNPQBGQPMRUBH-JSGCOSHPSA-N 314.820 4.502 30 20 DJED CSc1cc(Br)ccc1C=NNc1ccccc1 755875933 WZMPADHMQFHEOS-UHFFFAOYSA-N 321.243 4.617 30 20 DJED CC(=NOCC(F)(F)F)c1cc2c(ccc3ccccc32)o1 764846890 SCDLNLXMDOJULW-UHFFFAOYSA-N 307.271 4.889 30 20 DJED Cc1cncc(C(=O)/C=C/c2cc(C)c(C)cc2OC(F)F)c1 767367649 PPOQFUJMOCEXQW-SNAWJCMRSA-N 317.335 4.504 30 20 DJED CCCC(=CC(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1)CCC 770689761 VNQVDUGPFJWIRC-INIZCTEOSA-N 312.457 4.994 30 20 DJED Fc1cc(NN=C2CCCNc3ccccc32)ccc1Cl 774394787 VWGKXWITAVDWOZ-UHFFFAOYSA-N 303.768 4.501 30 20 DJED CC[C@@H](C)c1ccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 780165932 STYXFOZSFXOSML-CABCVRRESA-N 322.408 4.743 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)/C=C(\C)c1cccc(Cl)c1 787945373 JOCPDRKVXDCCLM-WYMLVPIESA-N 318.848 4.674 30 20 DJED CC(C)N(C)c1ccc(/C=C/C(=O)c2ccc(Cl)s2)cn1 790208299 GWRKZYKULWVMSC-GQCTYLIASA-N 320.845 4.537 30 20 DJED N#C[C@@H]1CC[C@@H](NCCCCCCOc2ccc(Cl)cc2)C1 799723457 JNHSODUGODXTHZ-NVXWUHKLSA-N 320.864 4.561 30 20 DJED CCC(C)(C)C1CCC(CC(=O)[C@H](C#N)c2ccccn2)CC1 802040325 KQJZMMJSJFKPBN-OFLPRAFFSA-N 312.457 4.891 30 20 DJED CC[C@@](C)(C#N)C(=O)O[C@@H](C)c1ccc(Cl)cc1Cl 802819871 HUCRIRUKQKGDQH-XPTSAGLGSA-N 300.185 4.537 30 20 DJED CC[C@H](C#N)Oc1cccc(CN[C@H]2C[C@@H](C)c3ccccc32)c1 808707558 SDWKKRNWXZYZQR-CEQIKUNHSA-N 320.436 4.706 30 20 DJED CCOCc1cc(/C=C2/C(=O)c3ccccc3[C@H]2C)ccc1OC 809156305 KRAFSBRTKUNPRD-ONDHQXCVSA-N 322.404 4.615 30 20 DJED O=C(/C=C\c1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1F 821002205 IPBMAAIAUIFVIR-FLIBITNWSA-N 321.307 4.783 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)C2=CCC(C)(C)CC2)n1 835200904 QGONLADKPGOEDR-CYBMUJFWSA-N 302.443 4.579 30 20 DJED C=CCN(C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C)C(C)C 918077562 UEFMFERPNPIMBP-MRXNPFEDSA-N 306.425 4.519 30 20 DJED CC(C)Oc1cccc(/C=C2\CSc3ccccc3C2=O)c1 921262151 QXGRITQVKRLYGN-XNTDXEJSSA-N 310.418 4.846 30 20 DJED C=CCN(C(=O)C1(Sc2ccccc2)CC1)c1ccccc1 1116363086 BAIWXZDQEBMZRE-UHFFFAOYSA-N 309.434 4.531 30 20 DJED C=C[C@](C)(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)o1 1118433642 XASOMTHVEYGMBL-MEDUHNTESA-N 306.793 4.717 30 20 DJED CCC[C@H](C(=O)Nc1sccc1C#N)c1cccc(Cl)c1 1264107723 CQBUICOQIQWMGM-AWEZNQCLSA-N 318.829 4.796 30 20 DJED N#Cc1ccc(NC(=O)CCC2CCCCCC2)c(Cl)c1 1266045173 NEEZHMINYYLMIH-UHFFFAOYSA-N 304.821 4.901 30 20 DJED Cc1nc(N2CC[C@@H](C(C)(C)C)C[C@H]2C)c(Cl)cc1C#N 1307133787 XWUXHMKKMHHARN-BXUZGUMPSA-N 305.853 4.566 30 20 DJED CC[C@@H](C)c1nnc(-c2cc(C)n(-c3ccc(C#N)cc3)c2C)o1 1326498280 YZDHBIHTTPRIAF-GFCCVEGCSA-N 320.396 4.529 30 20 DJED C[C@@H](CC1CCCCC1)C(=O)Nc1ccc(Cl)c(C#N)c1 1354058664 OLRQTNFAEIEKLC-LBPRGKRZSA-N 304.821 4.757 30 20 DJED CC(C)Cc1ccc([C@@H](Nc2ccc(C#N)cn2)C(C)C)cc1 1458066755 FJWWMEGUFFMPPT-FQEVSTJZSA-N 307.441 4.961 30 20 DJED CC(C)C[C@H](C)CC(=O)Nc1cc(C(C)(C)C)sc1C#N 1458456661 UEWTUEORTUDOFW-LBPRGKRZSA-N 306.475 4.928 30 20 DJED Cc1ccc(C#N)cc1NC(=O)C1(c2ccccc2Cl)CCC1 1531960145 ZKWYXRPPBAAITC-UHFFFAOYSA-N 324.811 4.581 30 20 DJED CCCC[C@@H](C(=O)N(C)c1cc(Cl)ccc1C#N)C(C)C 1532266650 FPXYDQMAARYDCS-OAHLLOKOSA-N 306.837 4.637 30 20 DJED CC(C)CCc1ccc(NC(=O)[C@H](CC#N)c2ccccc2)cc1 1535945490 PBOPYRMPUIAKIT-HXUWFJFHSA-N 320.436 4.911 30 20 DJED N#Cc1c(F)cccc1C(=O)Nc1cccc(-c2cccs2)c1 1544984968 IUZIPPRVBUGMKW-UHFFFAOYSA-N 322.364 4.678 30 20 DJED Cc1ccc([C@@H]2CCC[C@@H]2N(C)Cc2ccc(F)cc2C#N)cc1 1559562727 HSSNRYPZWYASLL-SFTDATJTSA-N 322.427 4.774 30 20 DJED CC(C)Cc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 1559931838 XKPWPFDLRPGUNR-KRWDZBQOSA-N 306.453 4.950 30 20 DJED CC[C@@H](CC(=O)Nc1cccc(CC#N)c1)c1ccc(C)cc1 1587609376 KLABMAQQROJNPD-KRWDZBQOSA-N 306.409 4.584 30 20 DJED N#Cc1cnc(N[C@@H]2CCC[C@H](c3ccccc3)C2)c(Cl)c1 1612353360 ITEIDNBHMVVTAS-JKSUJKDBSA-N 311.816 4.745 30 20 DJED N#CC1(CCN2CCC(c3ccc(F)cc3)CC2)CCCCC1 1644189803 FYWCGSWWZIGIEX-UHFFFAOYSA-N 314.448 4.869 30 20 DJED C=C(Br)CN(c1ccsc1)C1CCCCC1 1645465828 AWLLFIZBUSLLOY-UHFFFAOYSA-N 300.265 4.796 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1nc2ccccc2s1 1652050663 IHWUQTAVAFJWIL-UHFFFAOYSA-N 314.797 4.709 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 1654273832 UNZMZLLMNNWOTM-KNXBSLHKSA-N 314.432 4.940 30 20 DJED N#Cc1cc(Cl)ccc1SCCc1ccc(F)c(F)c1 1656331285 BHMXGWRMMTYNRL-UHFFFAOYSA-N 309.768 4.825 30 20 DJED C=C(Cl)CN(Cc1ccccc1)[C@@H]1CC(C)(C)OC1(C)C 1658044611 GTCBSFJKDIOJEO-MRXNPFEDSA-N 307.865 4.587 30 20 DJED CC(C)CC[C@@H]1CC[C@@H](Nc2ccccc2O[C@H](C)C#N)C1 1658578180 WYTQBJSHIWDXOA-BRWVUGGUSA-N 300.446 4.994 30 20 DJED C[C@H](Nc1cccc(OCCCC#N)c1)c1c(F)cccc1F 79724243 QCNIPSFACWLIOL-ZDUSSCGKSA-N 316.351 4.820 30 20 DJED Cc1ccccc1[C@@H](C)CC(=O)N[C@H](CCC#N)c1ccccc1 153734141 UBDGHJUGAWVXGX-FXAWDEMLSA-N 320.436 4.650 30 20 DJED N#Cc1cc(CSC2=Nc3ccccc3CS2)ccc1F 158351306 ABIYCCMWIGRIAD-UHFFFAOYSA-N 314.410 4.865 30 20 DJED CCc1ccc(C(C)(C)NCc2ccc(O[C@@H](C)C#N)cc2)cc1 177597817 GBQJXIXRZZGHMX-INIZCTEOSA-N 322.452 4.565 30 20 DJED N#Cc1csc(CN[C@@H](c2ccc(F)cc2)C2CCCC2)c1 177692283 QDMLFOYNUMZRHB-GOSISDBHSA-N 314.429 4.780 30 20 DJED Cc1cccc(C(C)(C)NCc2ccccc2C(C)(C)C#N)c1 179595687 VKSCDQJIQCGOKQ-UHFFFAOYSA-N 306.453 4.821 30 20 DJED C=CCC[C@H](C(=O)Nc1cnn([C@H](C)C2CC2)c1)c1ccccc1 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20 DJED N#CCCCSCCCCOc1cccc(C(F)(F)F)c1 479535135 ZGYHFBRXSOUANN-UHFFFAOYSA-N 317.376 4.901 30 20 DJED C=C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 488882441 PBAQHLLKZLYHCV-AHRSYUTCSA-N 305.421 4.510 30 20 DJED CCN(C(=O)CC1CCCCCC1)[C@@H](C)c1ccc(C#N)cc1 495231230 UFOLJTKNGKATPV-INIZCTEOSA-N 312.457 4.828 30 20 DJED C=CCCC[C@@H](C)NC(=O)c1sc2ccc(C#N)cc2c1C 497935876 FXPCEDADBDMRFC-GFCCVEGCSA-N 312.438 4.556 30 20 DJED CC(C)[C@@H]1CCC[C@H](NCc2cccc(OCCCC#N)c2)C1 504164334 WPJTUNDBBZWVQF-MOPGFXCFSA-N 314.473 4.674 30 20 DJED C=CCN(Cc1cccs1)C(=O)NCCCCC(C)(C)C 512527476 SSQWIFPRNWVEES-UHFFFAOYSA-N 308.491 4.662 30 20 DJED C=C(C)CN(CC)C(=O)[C@H](C)S[C@@H](CC)c1ccc(F)cc1 523391869 OWPHVTPWFKMQIS-YOEHRIQHSA-N 323.477 4.823 30 20 DJED C=CCCC[C@@H](C)NC(=O)Nc1ccc(OC(C)C)cc1C 538353212 DEBIMURXAWOIML-OAHLLOKOSA-N 304.434 4.649 30 20 DJED CC(C)(C)C(=O)c1ccc(NCc2cccc(C#N)c2F)cc1 543150267 SUSAZBSHYBXNSM-UHFFFAOYSA-N 310.372 4.538 30 20 DJED C[C@@H](NCc1ccc(CC#N)cc1)c1ccccc1C(F)(F)F 543185371 KTQKARDTPZBNJQ-CYBMUJFWSA-N 318.342 4.622 30 20 DJED C=C[C@@H](Cc1nc([C@H]2CCCCS2)no1)c1ccccc1 545808988 VFJUTNJWKWBPGI-DZGCQCFKSA-N 300.427 4.540 30 20 DJED C=C[C@H](CC(=O)N1CCC=C(c2ccccc2)C1)c1ccccc1 556485059 HCNGTTVTOFVRDQ-GOSISDBHSA-N 317.432 4.662 30 20 DJED CC1(C)CCC(c2noc(C[C@@H](CC#N)c3ccccc3)n2)CC1 561940680 BILUTJQTWHGSOP-QGZVFWFLSA-N 323.440 4.993 30 20 DJED CC1(C)CCC[C@@H](c2noc(C[C@H](CC#N)c3ccccc3)n2)C1 580635026 UAOOAAMHZPHYAO-DLBZAZTESA-N 323.440 4.993 30 20 DJED Cc1csc(NC(=O)CCC(C)(C)c2ccccc2)c1C#N 581335052 TXHRJCJQSQIVBB-UHFFFAOYSA-N 312.438 4.625 30 20 DJED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(F)cc1Cl 581778796 ZSKGWRPRDZVJEX-GFCCVEGCSA-N 314.791 4.691 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1cc2cc(F)ccc2o1 605093611 IJHATQIQRHLNBG-UHFFFAOYSA-N 315.388 4.780 30 20 DJED COc1ccccc1[C@H](CC(C)C)NCc1ccc(C#N)cc1C 614406859 CNTBWYOOZPOWPQ-FQEVSTJZSA-N 322.452 4.752 30 20 DJED C=CCCO[C@@H](C)C(=O)N(CCC)c1cccc2ccccc12 621588584 XADGPDQRXHGTSD-INIZCTEOSA-N 311.425 4.564 30 20 DJED CCN(CCC(F)(F)F)Cc1cc(F)cc(C(F)(F)F)c1 678222009 AFGLFQURIGDFIX-UHFFFAOYSA-N 317.248 4.619 30 20 DJED N#C[C@H](Cc1ccccc1)SC1=Nc2ccccc2CS1 729930444 MIGAFWFWNPTNRY-HNNXBMFYSA-N 310.447 4.789 30 20 DJED CCCCCCCC(=O)Nc1cc(OC)ccc1OC(C)C 730182168 CGLCCOGRXPUBCO-UHFFFAOYSA-N 307.434 4.781 30 20 DJED CSCc1cccc(N=Cc2cc3ccccc3nc2O)c1 731563765 UOUCKYRHFMTLDN-UHFFFAOYSA-N 308.406 4.554 30 20 DJED CC(=NNc1ccccc1C(=O)O)c1cccc(Cl)c1Cl 734978622 PCXZAGIJDDSIAZ-UHFFFAOYSA-N 323.179 4.528 30 20 DJED Cc1nc(C)c(C=NN[C@@H](C)c2ccc(C(C)C)cc2)s1 736429751 FMAMHRJMWYWJMN-LBPRGKRZSA-N 301.459 4.568 30 20 DJED N#Cc1ccsc1C(=O)N[C@H](c1ccccc1)C1CCCCC1 748053518 NPMWWHDJILNFOC-QGZVFWFLSA-N 324.449 4.671 30 20 DJED CCc1c(C(=O)/C=C\c2cc(C#N)cs2)oc2ccccc12 748441030 UXNROEXORDOJPE-FPLPWBNLSA-N 307.374 4.824 30 20 DJED C[C@H](NN=Cc1ccc(F)c(Cl)c1Cl)c1ccccc1 761801835 YXMUCEQMIGAUSS-JTQLQIEISA-N 311.187 4.817 30 20 DJED C=CCOc1ccccc1CN[C@H](CC)c1ccc(N(C)C)cc1 765906049 FKHDSRPHUJZDSE-HXUWFJFHSA-N 324.468 4.558 30 20 DJED C#CCCCCCC(=O)N1CCC[C@@H]1[C@@H](CC)c1ccccc1 780443226 RWLJTVWBXHPZCG-VQTJNVASSA-N 311.469 4.755 30 20 DJED C[C@H](SCc1cccc2nsnc12)c1cccc(C#N)c1 785533251 BFBADENHARDHST-NSHDSACASA-N 311.435 4.557 30 20 DJED C=CCCCCC[C@@H](C)NCc1nnc(-c2ccccc2)s1 793545369 BPEQXKZPZMTRGL-OAHLLOKOSA-N 315.486 4.820 30 20 DJED CN(CCCC1(C#N)CCOCC1)c1ccc(C(C)(C)C)cc1 799116132 CXPPDDLXBIKVFV-UHFFFAOYSA-N 314.473 4.521 30 20 DJED C/C=C/c1ccc(Oc2nc(Cl)c(C#N)s2)c(OC)c1 804324224 ZBGGAHVQVMFCDC-ONEGZZNKSA-N 306.774 4.502 30 20 DJED COc1ccc(C(C)=NNc2ccccc2F)c2ccccc12 812460005 KFCQPNFVQIUAAU-UHFFFAOYSA-N 308.356 4.824 30 20 DJED c1ccc(-c2cc3c(NN=C4CC5(CC5)C4)ncnc3s2)cc1 814727305 TVZKXZNJEUDDBW-UHFFFAOYSA-N 320.421 4.700 30 20 DJED C=CC(C)(C)C(=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1 826982687 NUTVSEAAIIHTHN-LJQANCHMSA-N 323.436 4.504 30 20 DJED C=CCC1(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)CCCC1 835199883 BKMGCFFFRTVLMR-ZDUSSCGKSA-N 302.443 4.579 30 20 DJED Cc1c(NC[C@H](C)CCC#N)cccc1NC(=O)OC(C)(C)C 877652155 CPZFGAYCDYTXSU-CYBMUJFWSA-N 317.433 4.694 30 20 DJED C[C@@H](/N=C\c1cc(Cl)cc(Cl)c1O)c1ccc(C#N)cc1 915112740 DNATYZWEISWBNQ-ZHLXBYETSA-N 319.191 4.751 30 20 DJED CCOc1c(Cl)cc(/C=C\C(=O)c2cccs2)cc1OC 916137081 MOJZRAYTYHZOOR-SREVYHEPSA-N 322.813 4.705 30 20 DJED N#Cc1ccc(N(C(=O)CCC2CCCCC2)C2CCC2)cc1 1131579154 VAGINNOSDBYDKU-UHFFFAOYSA-N 310.441 4.804 30 20 DJED CCC(C#N)(CC)C(=O)NC(C1CCCCC1)C1CCCCC1 1132801091 IFPFPSRINMUNRZ-UHFFFAOYSA-N 318.505 4.962 30 20 DJED CCc1cc2c(Oc3cc(C)c(C#N)c(C)c3C)ncnc2s1 1307115194 HKDKXBJRQFASLS-UHFFFAOYSA-N 323.421 4.843 30 20 DJED C[C@H](CC(C)(C)c1ccccc1)N[C@H]1CCc2cc(C#N)ccc21 1308738245 RCVULQCZHFFGJD-IERDGZPVSA-N 318.464 4.892 30 20 DJED CC[C@H](C)[C@@H](C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 1537633822 OBHMJPJRFMTXSY-LSDHHAIUSA-N 322.408 4.971 30 20 DJED N#Cc1cccnc1Nc1cccc(-c2ccc(F)c(F)c2)c1 1559189932 GRVYHCUTAPRQAM-UHFFFAOYSA-N 307.303 4.642 30 20 DJED Cc1ccc(CC2CCN(Cc3cccc(C#N)c3)CC2)cc1C 1559883022 CBRYRTFLOIJSLV-UHFFFAOYSA-N 318.464 4.630 30 20 DJED CC[C@@H](C)[C@@H](C)N(Cc1ccc(C#N)cc1OC(F)F)C1CC1 1615470257 WVDZKMGVGIMNIB-CHWSQXEVSA-N 322.399 4.559 30 20 DJED CC(C)(C)Oc1cccc(NC(=O)CC2(C#N)CCCCC2)c1 1617765536 CATPFUJJSQJGPL-UHFFFAOYSA-N 314.429 4.667 30 20 DJED N#Cc1ccc(CCN[C@H]2CCCC[C@@H]2C2CCCCC2)cc1 1621435086 PFNMRWHXGWGSJT-RTWAWAEBSA-N 310.485 4.829 30 20 DJED CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H](C#N)CC 1635873023 UZFFOICXGWXDHV-WMLDXEAASA-N 320.864 4.825 30 20 DJED N#Cc1ccc(NC[C@H]2CCC[C@H]2C2CC2)cc1Br 1640030003 YDKNIHCOGAZMKX-HIFRSBDPSA-N 319.246 4.559 30 20 DJED CCN(Cc1ccc(Cl)cc1)c1nc(C)c(C#N)cc1Cl 1642157191 JTVIGXXZSZKHMO-UHFFFAOYSA-N 320.223 4.595 30 20 DJED Cc1ccnc(N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)c1C#N 1642798370 ZWCMFESZBJMGHS-GDBMZVCRSA-N 311.816 4.663 30 20 DJED C[C@H](c1ccc(Oc2ccccc2)cc1)N1CCC[C@@H](C#N)C1 1648265138 BVGVBDBIKOWDSS-SJORKVTESA-N 306.409 4.775 30 20 DJED Cc1cccc(-c2cccc(CNc3ccc(C#N)c(C)n3)c2)c1 1650716044 KSDWCIQJFFPJKB-UHFFFAOYSA-N 313.404 4.849 30 20 DJED C[C@@H](Sc1nc2c(cc1C#N)CCCC2)c1cccc(F)c1 1652581546 SCBSETVWUSJRDC-GFCCVEGCSA-N 312.413 4.824 30 20 DJED N#Cc1c(F)cccc1NC1(Cc2cccc(Cl)c2)CC1 1655478292 VNVSZDRXZDLBSB-UHFFFAOYSA-N 300.764 4.538 30 20 DJED Cc1cc(C#N)cc(N[C@H]2CCC[C@@H](c3ncccc3C)C2)c1 1659444010 IIAYMMVNJVYYHU-MSOLQXFVSA-N 305.425 4.708 30 20 DJED CC(C)CCOc1ccccc1NCc1ccc(C#N)c(F)c1 1659538954 NPDMJXSOAJFPII-UHFFFAOYSA-N 312.388 4.734 30 20 DJED Cc1ccc([C@H](C)C=NNc2ccc(Cl)c(C(=O)O)c2)cc1 1776034114 OFCBWJYXWDLPTJ-GFCCVEGCSA-N 316.788 4.548 30 20 DJED Cc1cc(C)c(C(=O)O)cc1/C=C/C(=O)c1ccc(Cl)cc1 1776115017 JLTHUMHSBALTIX-VMPITWQZSA-N 314.768 4.551 30 20 DJED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)s1 41536108 JTAKIZJZUNYJFL-CYBMUJFWSA-N 324.430 4.670 30 20 DJED C=CCC[C@H](CC)N[C@H](C)c1nc(-c2ccncc2)cs1 90045948 VSZXTBITWAQHJO-HIFRSBDPSA-N 301.459 4.601 30 20 DJED CC[C@H](N[C@H](C)c1cccc(C#N)c1)c1cc(C)ccc1OC 91731418 DFHPHMNXDAMQEQ-BEFAXECRSA-N 308.425 4.677 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccc(CCC(F)(F)F)cc1 176277623 DRTNMOUEJHUONX-UHFFFAOYSA-N 314.351 4.611 30 20 DJED N#Cc1csc(CN[C@@H](Cc2ccccc2)c2cccs2)c1 177702927 MMLYSMNGRCCNDY-KRWDZBQOSA-N 324.474 4.755 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)C2(c3ccccc3)CCC2)n1 177777065 CMYQDRNGEVZFLG-HNNXBMFYSA-N 324.449 4.565 30 20 DJED C[C@H](NC[C@@H](c1ccccc1)C(F)(F)F)c1cccc(C#N)c1 186846658 MOJXIKRBTMFKRH-GUYCJALGSA-N 318.342 4.555 30 20 DJED Cc1c(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)oc2ccccc12 205512020 NDFLYPWUVNRUIA-FLIBITNWSA-N 307.305 4.546 30 20 DJED COc1cccc(/C=C\C(=O)c2cc(Cl)ccc2Cl)c1 212577214 YMJRBOPILVWPJK-YVMONPNESA-N 307.176 4.898 30 20 DJED CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccccc1SC[C@H](C)C#N 248506142 XIFGYYUTTQNZKF-GLJUWKHASA-N 316.470 4.559 30 20 DJED CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccccc1S[C@H](C)CC#N 249419246 HGLQDUJSQZCIDG-QWQRMKEZSA-N 316.470 4.702 30 20 DJED Cc1cc([C@@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)c(C)s1 271941981 OYDGGWCILWFXBG-VXGBXAGGSA-N 302.418 4.788 30 20 DJED CCC(CC)[C@@H]1C[C@@H](Nc2c(C#N)cnc3ccccc23)CCO1 302060782 RBMTVSRLCLJVGV-LPHOPBHVSA-N 323.440 4.502 30 20 DJED Cc1cc2cc(N=C(O)c3ccn(C4CCCCC4)n3)ccc2[nH]1 329904993 JKUIWALVNINFRY-UHFFFAOYSA-N 322.412 4.814 30 20 DJED CC(C)(C/N=C(/O)c1ncc(C#N)cc1Cl)C1CCCCC1 330563074 JTBGJBVOGWXTFJ-UHFFFAOYSA-N 319.836 4.518 30 20 DJED CCc1ccc(N/C(O)=N/C(C)(C)c2ncc(C)s2)cc1C 330603243 JSXPIXDQXWMKDE-UHFFFAOYSA-N 317.458 4.584 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(C2CC2)cc1 357788462 LTZLEUXLQPGOKY-NRFANRHFSA-N 302.421 4.603 30 20 DJED N#Cc1ccc2c(c1)[C@H](N[C@H](CC(F)F)c1ccccc1)CC2 421880574 QNCXCHAPGKYUIP-QZTJIDSGSA-N 312.363 4.532 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1csc(C(C)(C)C)n1 425367030 ROYUJIXKXICDFN-ZDUSSCGKSA-N 313.470 4.505 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1ccc(COC2CCCC2)cc1 439580746 JUOHDXCCIOFOFD-INIZCTEOSA-N 316.445 4.622 30 20 DJED N#CC1CCC(CN[C@H]2CCC[C@H]2CCc2ccccc2)CC1 442872181 HNJCRGUNDQOSIZ-JSRAGOMMSA-N 310.485 4.707 30 20 DJED C=C[C@](C)(CC)C(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 442937494 NPORIQVVVHFKAN-DNVCBOLYSA-N 303.421 4.524 30 20 DJED CC(C)CCc1noc(CS[C@@H](C)c2cccc(C#N)c2)n1 443146706 ULHUNSJYDZWKNG-ZDUSSCGKSA-N 315.442 4.524 30 20 DJED CC#CCCCC(=O)N[C@H](C)c1ccc(SC(C)C)cc1 464450065 UUEKYQAYZGKSTL-OAHLLOKOSA-N 303.471 4.558 30 20 DJED N#CCCCCN1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 469518981 MEUVWEZKLWMHRH-MRXNPFEDSA-N 310.363 4.926 30 20 DJED N#Cc1cc(Cl)ccc1CSCc1csc(C2CC2)n1 478907358 BQCBSKDIXCFHQY-UHFFFAOYSA-N 320.870 4.979 30 20 DJED CCCN(CC1CCCCC1)C(=O)Nc1ccc(F)c(C#N)c1 481595103 JNYHIMSXGHWBEA-UHFFFAOYSA-N 317.408 4.522 30 20 DJED Cc1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)ccc1F 481911477 GCRAISSVXLTEDK-HXUWFJFHSA-N 308.400 4.563 30 20 DJED C=CCOc1ccc(-c2nnc(S[C@H](C)CCC)o2)cc1 489763959 VTKPYGFTCPPWRP-GFCCVEGCSA-N 304.415 4.582 30 20 DJED C[C@@H](CC(=O)N[C@H](C#N)c1ccccc1Cl)C1CCCCC1 499931977 LXACPCRKNKQSDI-SUMWQHHRSA-N 318.848 4.627 30 20 DJED Cc1ncc(COc2ccc(Oc3ccc(C#N)cc3)cc2)s1 500873312 BSWQEZXORWZCSL-UHFFFAOYSA-N 322.389 4.695 30 20 DJED CN(Cc1ccc(Cl)c(Cl)c1)Cc1cc(C#N)cs1 506749643 ZEYQDSZRNPOOAC-UHFFFAOYSA-N 311.237 4.559 30 20 DJED N#Cc1ccc(NCc2nc3cc(Cl)ccc3s2)c(F)c1 507042323 ZROAWUYYPJOMJD-UHFFFAOYSA-N 317.776 4.573 30 20 DJED N#CCCCCN[C@@H](c1cccc2ccccc12)C(F)(F)F 510453534 JNGLXUPNMXFVJG-INIZCTEOSA-N 306.331 4.727 30 20 DJED C=CCOc1cccc(NC(=O)N(CC)Cc2ccccc2C)c1 511015796 MGFXXDHQUKSZPZ-UHFFFAOYSA-N 324.424 4.614 30 20 DJED N#Cc1ccc(SCc2cccc(C#N)c2F)c(Cl)c1 537047148 NGYVSQMKNZICAF-UHFFFAOYSA-N 302.761 4.515 30 20 DJED C[C@H](NC1CCSCC1)c1ccc(-c2cccc(C#N)c2)cc1 542992919 RDXKGZKEHMCQAW-HNNXBMFYSA-N 322.477 4.771 30 20 DJED C=CCC(C)(C)CN[C@H](C)CC(=O)Nc1cc(Cl)ccc1C 551241939 XJPSRHFWYJNFGE-CQSZACIVSA-N 322.880 4.557 30 20 DJED N#CCCC1CCN(Cc2cccc(OC3CCCC3)c2)CC1 564086321 ZSVCBVSYFWUYAW-UHFFFAOYSA-N 312.457 4.524 30 20 DJED C=C[C@H](CC(=O)N1CCC[C@H](c2ccccc2)C1)c1ccccc1 569521002 YVAPMPQBYJINAR-NQIIRXRSSA-N 319.448 4.753 30 20 DJED CC[C@@H](NCc1ccc(C)cc1OC(C)C)c1ccc(C#N)cc1 584152616 PJZLXWARSNYJCR-HXUWFJFHSA-N 322.452 4.895 30 20 DJED Cc1cc(C)cc(C2(C(=O)Nc3sc(C)c(C)c3C#N)CC2)c1 603948098 YPTNMNAYWJLDBQ-UHFFFAOYSA-N 324.449 4.524 30 20 DJED CCN(Cc1ccc(-c2ccccc2C#N)cc1)Cc1ccoc1 608833279 FLVCBAFKPJOFAL-UHFFFAOYSA-N 316.404 4.840 30 20 DJED N#C[C@H]1CCC[C@H](Nc2ccccc2SCC(F)(F)F)C1 613252209 CHAFNWNXXJVAOM-RYUDHWBXSA-N 314.376 4.835 30 20 DJED C[C@@H](NCc1csc(Cl)c1Cl)c1cccc(C#N)c1 617791940 MHWXRQPINAPLGK-SECBINFHSA-N 311.237 4.777 30 20 DJED CC[C@@H](N[C@H]1CCCOc2cc(F)ccc21)c1ccc(C#N)cc1 618574736 IVYJEPSZLMGKFV-MOPGFXCFSA-N 324.399 4.652 30 20 DJED COc1cc(/C=C\C(=O)c2cc(C)cc(C)c2)ccc1SC 730437245 REMOLFBYGWRTHP-ALCCZGGFSA-N 312.434 4.930 30 20 DJED COc1cc(C(=O)/C=C/c2ccc(C)c(F)c2)ccc1SC 731489691 JLEDAPXEIMGBCG-SOFGYWHQSA-N 316.397 4.761 30 20 DJED O=C(/C=C/c1ccc(F)c(F)c1)c1cccc(-c2ccncc2)c1 741474222 WEOAVGOXPSSBFX-FNORWQNLSA-N 321.326 4.923 30 20 DJED Cc1ncsc1/C=C/C(=O)c1ccc(OCCC(C)C)cc1 742432323 XDVQRTYDPBKFCS-CMDGGOBGSA-N 315.438 4.773 30 20 DJED CC(=NNc1oc(C(C)(C)C)nc1C#N)c1cc(C)c(C)cc1C 746498306 VUMXVMANQCRUHW-UHFFFAOYSA-N 324.428 4.605 30 20 DJED COc1ccc(/C=C\C(=O)c2cccc3ccccc23)cc1F 746999044 KUQHSODXQCNYFX-LUAWRHEFSA-N 306.336 4.884 30 20 DJED CC(C)c1nc(C(=O)/C=C\c2ccc3ncccc3c2)cs1 756622676 OFLXTFCPFFRFJR-VURMDHGXSA-N 308.406 4.711 30 20 DJED O=C(/C=C\c1cc2cc(F)ccc2o1)c1cc(F)ccc1F 757474889 MMNZTJXPJHGTHE-HYXAFXHYSA-N 302.251 4.746 30 20 DJED O=C(/C=C\c1ccc(Cl)nc1Cl)c1ccccc1Cl 761475159 MWNVEPCLFKJYHG-ALCCZGGFSA-N 312.583 4.938 30 20 DJED C/C=C\COc1ccc(CCC(C)=NOCC(F)(F)F)cc1 764835600 MIOLBYGGNUVESJ-XITBIDBVSA-N 315.335 4.529 30 20 DJED C=CC[C@H](N[C@@H](C)c1ccc(F)c(Cl)c1)c1ccncc1 766018145 GEHWGINVWOSSSE-SJCJKPOMSA-N 304.796 4.842 30 20 DJED C=CC[C@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1ccncc1 766020141 OXMYFHOLEOASMR-KKSFZXQISA-N 306.453 4.928 30 20 DJED Fc1cccc(Cl)c1C=NNc1c(F)cccc1Cl 769829570 RTDTWIHHIIQVQM-UHFFFAOYSA-N 301.123 4.718 30 20 DJED C#CCCCCCC(=O)N1CCC[C@H](C)[C@H]1c1ccc(C)cc1 779957689 DTOQSTSXTKCCRU-RXVVDRJESA-N 311.469 4.878 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N1CCC(CC#N)CC1 782055260 KBURGORWBDZEGZ-KRWDZBQOSA-N 306.494 4.915 30 20 DJED CCCCCCCC[C@@H](C)CC(=O)N1CCC(CC#N)CC1 782055264 KBURGORWBDZEGZ-QGZVFWFLSA-N 306.494 4.915 30 20 DJED CC[C@@H](C)CCCCC(=O)Nc1ccccc1O[C@H](C)C#N 784101299 LKKUIVHTPOZHTJ-HUUCEWRRSA-N 302.418 4.522 30 20 DJED CC[C@@H](CC#N)OC(=O)c1cc(-c2ccccc2)ccc1Cl 787088428 JTRLFSZFRUBBSA-HNNXBMFYSA-N 313.784 4.856 30 20 DJED Cc1cc(Cl)ccc1/C=C\C(=O)c1cnn(C(C)C)c1C 787187857 YIGLPGVEWYHUNV-VURMDHGXSA-N 302.805 4.630 30 20 DJED N#Cc1sc(N[C@H]2CC[C@H](c3ccc(F)cc3)C2)nc1Cl 804680406 PTICNCFLWHTWLU-JQWIXIFHSA-N 321.808 4.555 30 20 DJED C[C@H](C#N)CSc1ccccc1NCc1csc(Cl)n1 853058905 OIERFAMTLPCDDF-SNVBAGLBSA-N 323.874 4.660 30 20 DJED CC[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cccc(C#N)c1 902884663 JWZSDOSPZACLLY-UXHICEINSA-N 303.409 4.644 30 20 DJED C#Cc1cccc(NC(=O)c2cc3c(ccc4ccccc43)[nH]2)c1 911584079 QWUOMMQXAKVAAE-UHFFFAOYSA-N 310.356 4.555 30 20 DJED COc1cccc(-c2nc(CSc3ccc(C#N)cc3)co2)c1 1165546360 OURIJATUCFBAED-UHFFFAOYSA-N 322.389 4.514 30 20 DJED COc1ccc(Nc2c(C#N)cnc3c(Cl)cccc23)cc1 1306913590 BTFLBWXLSVFINJ-UHFFFAOYSA-N 309.756 4.512 30 20 DJED CCC[C@H]1[C@@H](C)CCCN1Cc1ccc(C#N)cc1OC(F)F 1307548499 WBPPGOMTSQMGNG-BBRMVZONSA-N 322.399 4.560 30 20 DJED CSc1ccccc1C(=O)/C=C\c1coc(-c2ccccc2)n1 1321179578 GHHZJGKNBXVFCW-QXMHVHEDSA-N 321.401 4.960 30 20 DJED CCCCc1ccc(Cc2nnc(-c3cccc(C#N)c3)o2)cc1 1322997603 UFMOCTRAZGDSSI-UHFFFAOYSA-N 317.392 4.542 30 20 DJED CC(C)(C)c1ccc(-c2nnc(-c3cccc(C#N)c3)o2)s1 1327808402 LVKVLNVIWFBJDM-UHFFFAOYSA-N 309.394 4.634 30 20 DJED CC(C)(C)C1CCC(OC(=O)CCc2ccc(C#N)cc2)CC1 1354137330 VOJAOADGOJKGGQ-UHFFFAOYSA-N 313.441 4.639 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CCCC1CCCCC1 1461076602 BDCXHFJIPAAUMO-INIZCTEOSA-N 312.457 4.828 30 20 DJED C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CC1(C#N)CCCCC1 1471997508 SSVWYKRLNYCWHO-IEBWSBKVSA-N 324.468 4.645 30 20 DJED Cc1c(C#N)cccc1NC(=O)N[C@H](CC(C)C)c1ccccc1 1476267023 PQOFGSMHRUBXGM-LJQANCHMSA-N 321.424 4.776 30 20 DJED CC(C)(C)c1csc(NC(=O)C2CCCCCC2)c1C#N 1524040361 QIXXFTQLUBQHER-UHFFFAOYSA-N 304.459 4.826 30 20 DJED CC[C@@H](OC(=O)c1cc(C#N)oc1C)c1cccc(Cl)c1F 1538949840 MGCAFCTYCFGUMB-CQSZACIVSA-N 321.735 4.560 30 20 DJED C=C(Cl)Cn1c([C@H](C)CC)nnc1N(C)C1CCC(C)CC1 1593807882 NUFOVNWSEZGAEZ-JVWICGRDSA-N 324.900 4.559 30 20 DJED C[C@@H](NC(=O)c1ccc(C2CCCC2)cc1)c1cccc(C#N)c1 1597764341 STUMENRTERCHMY-OAHLLOKOSA-N 318.420 4.707 30 20 DJED C[C@@H](CC(=O)N(c1ccccc1C#N)C1CCC1)CC(C)(C)C 1617588900 SDLARRHESCGOHY-HNNXBMFYSA-N 312.457 4.906 30 20 DJED C[C@@H](CC(C)(C)C#N)N[C@H]1CC=C(c2ccc(F)cc2)CC1 1621200625 ONFPSQSIMNCKRN-KSSFIOAISA-N 300.421 4.680 30 20 DJED N#Cc1ccccc1SCc1ccc(-c2ncco2)cc1F 1640926939 UHZFNUNKVVRAJA-UHFFFAOYSA-N 310.353 4.645 30 20 DJED CCCCc1ccc([C@H](Nc2ccnc(C#N)n2)C(C)C)cc1 1641995733 LSEYSAZACHBJOI-LJQANCHMSA-N 308.429 4.500 30 20 DJED Cc1ccc(Cl)c2c1N(Cc1ccc(C#N)s1)CCC2 1646058386 JLDKHZFNSOEVLV-UHFFFAOYSA-N 302.830 4.534 30 20 DJED CCOc1cccc([C@@H](C)Nc2nc(C(C)(C)C)ccc2C#N)c1 1651444649 YJFRNXWEXRMXOW-CQSZACIVSA-N 323.440 4.823 30 20 DJED C[C@@H](c1ccc(Cl)cc1)[C@@H](C)NCCc1ccc(C#N)cc1 1652811652 JFHAFIDKPKUSAI-HUUCEWRRSA-N 312.844 4.536 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C)c2ccccc21 1659653886 RVIZSPZBPKJPEQ-CQSZACIVSA-N 319.408 4.803 30 20 DJED CC(C)c1ccc(NC(=O)Nc2cc(C#N)c(F)cc2F)cc1 1664255770 IKKADMCMQZUZSH-UHFFFAOYSA-N 315.323 4.604 30 20 DJED Cc1c(NN=C2CCC[C@H](c3ccccc3)C2)cccc1C(=O)O 1776087900 DNZQJRACPITEFM-INIZCTEOSA-N 322.408 4.819 30 20 DJED C[C@@H](N[C@H](C)c1ccc(F)cc1Cl)c1ccc(C#N)cc1 37284486 RUGOCIOZICDYIH-VXGBXAGGSA-N 302.780 4.763 30 20 DJED COc1cc(C(=O)/C=C/c2ccc(F)c(F)c2)ccc1SC 60245367 PKVUSKXZPIYLMY-QPJJXVBHSA-N 320.360 4.591 30 20 DJED CC(C)(C)c1csc(NC(=O)c2ccc(Cl)cc2)c1C#N 75296944 HOMFSJZOERWMSS-UHFFFAOYSA-N 318.829 4.823 30 20 DJED CC[C@H](SCCC(=O)Nc1ccccc1C#N)c1ccccc1 156501728 ZJILZHKLWFRBGN-SFHVURJKSA-N 324.449 4.771 30 20 DJED CC(C)CCOc1ccc(CNc2ccc(CC#N)cc2)cc1 236578636 VUMSTNSRFZOCIE-UHFFFAOYSA-N 308.425 4.790 30 20 DJED Cc1csc(-c2cccc(OCc3ccccc3C#N)c2)n1 303113670 GRAUTORNLKFWCF-UHFFFAOYSA-N 306.390 4.569 30 20 DJED Cc1ccc(Oc2cc(Br)c(C#N)cc2F)cc1C 311452806 ZXUZLRDZCHEATH-UHFFFAOYSA-N 320.161 4.869 30 20 DJED CC1(C)C(O)=Nc2cc(/C(O)=N/C3CCCCCC3)ccc21 328744215 NTSFFYNPIIJXHL-UHFFFAOYSA-N 300.402 4.593 30 20 DJED C[C@H](/N=C(/O)c1ccc2c(c1)N=C(O)C2(C)C)C1CCCCC1 328855649 XCFXQGZQLAVONN-LBPRGKRZSA-N 314.429 4.839 30 20 DJED Cc1oc(C(C)C)cc1/C(O)=N/Cc1nc(C(C)(C)C)cs1 330617165 WVIGAJNMYWRSAF-UHFFFAOYSA-N 320.458 4.970 30 20 DJED CC[C@@H](C)Sc1ccc(NC(=O)C2(C#N)CCCC2)c(C)c1 330739757 QLCYONZZQWVORW-CQSZACIVSA-N 316.470 4.908 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1ccc2sccc2c1 348820836 ZWMIBTUCTITFMM-UHFFFAOYSA-N 314.454 4.693 30 20 DJED CC(C)(C)C[C@H](NCc1ccc(C#N)c(F)c1)c1ccccc1 404752577 ISRSUFIHPPKJTI-IBGZPJMESA-N 310.416 4.964 30 20 DJED CN(CCCC1(C#N)CCOCC1)C1CCC(C(C)(C)C)CC1 410342526 KWRSIRRIMOARND-UHFFFAOYSA-N 320.521 4.624 30 20 DJED C[C@H](CCC#N)N[C@H](C)c1ccccc1OCc1ccccc1 411449463 GLBSSHSDNWIDKE-IAGOWNOFSA-N 308.425 4.608 30 20 DJED C=CCC[C@@H](NC(=O)Nc1c(F)cccc1F)c1ccccc1 435657276 UHSNHSKOWLKBIK-MRXNPFEDSA-N 316.351 4.794 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cc(Cl)ccc1Cl 435664787 NVGZRNUUDGLBBS-OZVIIMIRSA-N 314.256 4.625 30 20 DJED N#C[C@@H]1CCC[C@@H](N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C1 436308076 SNBDRJHOSVQEBA-ODVANORSSA-N 322.374 4.623 30 20 DJED C=C[C@](C)(CC)C(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 442937495 NPORIQVVVHFKAN-HNAYVOBHSA-N 303.421 4.524 30 20 DJED Cc1csc(C2(NCCCCC(C)(C)C#N)CCCC2)n1 444667727 TTXXZARLRDVWRS-UHFFFAOYSA-N 305.491 4.531 30 20 DJED C[C@@H]1CCc2c(F)cccc2[C@H]1NC1CCC(C)(C#N)CC1 449176813 NRSUJEFHSBZGBV-NVBJEIKVSA-N 300.421 4.511 30 20 DJED Cc1oc2ccc(NC(=O)[C@H](C)c3cccc(C#N)c3)cc2c1C 462545492 CYEFFNUFXKXTFJ-CYBMUJFWSA-N 318.376 4.664 30 20 DJED N#Cc1ccc(/C=C\c2cc(Cl)ccc2Br)nc1 463038862 RQFGIRMDTYNBIC-DJWKRKHSSA-N 319.589 4.540 30 20 DJED C=CCCCCNC(=O)N(C)C1c2ccccc2-c2ccccc21 474083396 VPEBVBGQVHAJOP-UHFFFAOYSA-N 320.436 4.754 30 20 DJED CCC[C@@H](CC)S[C@H](C)C(=O)N(CCC#N)c1ccccc1 477074414 RZZHUDDOBRALRH-NVXWUHKLSA-N 318.486 4.634 30 20 DJED C=CCOCCCSCc1coc(-c2cccc(Cl)c2)n1 479617961 WMFCRNUGYCNEHV-UHFFFAOYSA-N 323.845 4.821 30 20 DJED C=CCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 523956275 IOHWNILIZRZHCF-LBPRGKRZSA-N 316.470 4.675 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cc2ccccc2o1 532623517 IKHZNJRDQWSQER-UXHICEINSA-N 316.404 4.705 30 20 DJED C=C[C@H](CC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccccc1 533886026 LEEMBIYRWDEJGY-IERDGZPVSA-N 305.421 4.614 30 20 DJED C=C[C@@H](CC(=O)N(CC(F)F)c1ccccc1)c1ccccc1 535500705 JOQZAZHEJDIWNO-HNNXBMFYSA-N 315.363 4.645 30 20 DJED C=C(CC)CNc1ccc(C(=O)NC(C)(C)CC)c(Cl)c1 539102971 XRTNKEMAEVQCBE-UHFFFAOYSA-N 308.853 4.637 30 20 DJED CCNc1ccc(C#N)cc1NC(=O)CC[C@H](C)c1ccccc1 552109495 YLNRQTDBCPLLPM-HNNXBMFYSA-N 321.424 4.512 30 20 DJED CC(C)(CCC#N)CN[C@@H]1CCC[C@H]1c1ccc(Cl)cc1 558239107 ZIFWCKLHDVJKLQ-DLBZAZTESA-N 304.865 4.896 30 20 DJED Cc1sc(NC(=O)[C@@H](C)c2ccc(Cl)cc2)c(C#N)c1C 593003787 POYMFCQYQFYDNY-JTQLQIEISA-N 318.829 4.632 30 20 DJED Cc1ccc(CNc2ccccc2SC[C@@H](C)C#N)cc1F 600554409 FDHYRGPUBZCWSJ-ZDUSSCGKSA-N 314.429 4.998 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2)cc1C 604907275 VMGXDPONYVYYEE-OAHLLOKOSA-N 310.397 4.873 30 20 DJED N#Cc1ccc(Oc2cccc(NC(=O)c3cccs3)c2)cc1 609175799 FCYZVVPKBOMENZ-UHFFFAOYSA-N 320.373 4.664 30 20 DJED Cc1nc(-c2ccc(NCc3ccc(C#N)s3)cc2)oc1C 610910482 UBLCXPMDWPDDCB-UHFFFAOYSA-N 309.394 4.504 30 20 DJED C=C(C)[C@H](NCc1cc(COC)cs1)c1ccc(F)c(F)c1 657437196 RHUOYHAEJCZCNK-KRWDZBQOSA-N 323.408 4.580 30 20 DJED Cc1oc(C(C)C)cc1C(=O)[C@H](C#N)c1ccc2ccccc2n1 671746183 UOUKBQHUASBQPV-MRXNPFEDSA-N 318.376 4.750 30 20 DJED CC(=NNc1ccc(Cl)c(Cl)c1)c1ccc(O)c(C)c1 728225399 QJHYFNVPSPULMD-UHFFFAOYSA-N 309.196 4.844 30 20 DJED CC(=NNc1ncc(C(F)(F)F)cc1Cl)C1CCCC1 733078541 YZJZJAALYGIGLA-UHFFFAOYSA-N 305.731 4.732 30 20 DJED C#CCCOc1ccc(CN[C@@H](CCC)c2ccccc2)cc1 733323395 YNZXJFNPKPPPNC-NRFANRHFSA-N 307.437 4.720 30 20 DJED COc1ccc(/C=C\C(=O)c2sccc2C)cc1OC(F)F 733749260 USJMXPRMDOFXPN-HYXAFXHYSA-N 324.348 4.563 30 20 DJED CCCCCCCCOCC(=O)Nc1c(C)cc(C)cc1C 741510352 AOHDVTGRDOAZJA-UHFFFAOYSA-N 305.462 4.927 30 20 DJED COc1ccc(C(=O)/C=C\c2cccc(-c3ccccn3)c2)cc1 747699190 QKGIHYYGTLPPOD-JYRVWZFOSA-N 315.372 4.653 30 20 DJED Cc1ccc(-c2nc(/C=C\C(=O)c3ccccc3C)co2)cc1 749886761 OZMCYFSZXJZPMG-QXMHVHEDSA-N 303.361 4.855 30 20 DJED CC(C)=CCC/C(C)=C\C=NNc1ccc(C(F)(F)F)nn1 754710073 QJBGCXVTMZSDRW-MXLXCKMSSA-N 312.339 4.586 30 20 DJED C#CC[C@H](NCc1coc(-c2ccc(C)cc2)n1)c1ccccc1 756995895 LRXABAYOWPDJEC-FQEVSTJZSA-N 316.404 4.504 30 20 DJED CCCCCCCC[S@@](=O)Cc1ncccc1C(F)(F)F 761597876 WGKARFURHRMMEY-OAQYLSRUSA-N 321.408 4.710 30 20 DJED O=C(/C=C\c1ccc(F)cc1)c1cc(Br)ccc1F 763121824 KBWTUJMLWSRNJE-BAQGIRSFSA-N 323.136 4.623 30 20 DJED O=C1/C(=C/c2nccc3ccccc23)[C@@H]2CCCc3cccc1c32 763289435 MNAWKXWBTGECKC-AMRJIULGSA-N 311.384 4.935 30 20 DJED CC(C)n1cc(/C=C\C(=O)c2ccc(OC(C)(C)C)cc2)cn1 764921272 PWHROAUXIWDDAR-WDZFZDKYSA-N 312.413 4.537 30 20 DJED CCCCCC1=CCCC1=NNc1cc(C#N)cc(Cl)n1 768377363 ZNHLDHRRQZLQTM-UHFFFAOYSA-N 302.809 4.675 30 20 DJED C#CCCCCCC(=O)Nc1ccc(Sc2ccncc2)cc1 779995682 WZGIADPRIYAMOT-UHFFFAOYSA-N 324.449 4.755 30 20 DJED Clc1ccc(C2CC(=NNc3cnnc4ccccc34)C2)cc1 783847583 VXMZJYACPFSCSS-UHFFFAOYSA-N 322.799 4.629 30 20 DJED C=CC[C@H](C(=O)Nc1cc(Cl)nc(Cl)c1)c1ccccc1 787932188 OJRDPJWGROENME-ZDUSSCGKSA-N 321.207 4.687 30 20 DJED Cc1cc(C(=O)/C=C/c2csc(-c3ccsc3)n2)oc1C 799895363 AMLVXAIKBOZZSE-ONEGZZNKSA-N 315.419 4.978 30 20 DJED N#Cc1c(F)cccc1/C=C\C(=O)c1cc(Cl)ccc1Cl 811684737 CMMIJOQRRXIREX-DAXSKMNVSA-N 320.150 4.900 30 20 DJED CCCCCCCCCCC(=O)N1CCC(c2ncco2)CC1 862110454 LQGWMBADCOXAGD-UHFFFAOYSA-N 320.477 4.911 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1ccnc2ccccc12 905071365 FWXAZJPYXFANGP-KTKRTIGZSA-N 319.408 4.525 30 20 DJED Cc1cccc(/C=C\C(=O)c2ccc(Br)s2)c1 916134172 DUKMJBLVKCFSOB-WAYWQWQTSA-N 307.212 4.715 30 20 DJED C[C@@H]1CC(C)(C)c2cccc(NC(=O)[C@]3(C#N)CC34CCCC4)c21 1133932120 ZTPQKFJRYHKDSU-SPLOXXLWSA-N 322.452 4.884 30 20 DJED CCCNc1ccc(CNc2nc(C(C)(C)C)ccc2C#N)cc1 1186372466 GHIIKCBEPMEWIF-UHFFFAOYSA-N 322.456 4.685 30 20 DJED C=C(Cl)CN1CC=C(c2ccccc2C(F)(F)F)CC1 1191743702 WKIKNRUWQLSLAE-UHFFFAOYSA-N 301.739 4.547 30 20 DJED COc1cc(CN2CCC[C@@H]2CC2CCCCC2)ccc1C#N 1204729451 LZRAIWCKKZGNPQ-LJQANCHMSA-N 312.457 4.502 30 20 DJED Cc1cc(C#N)ccc1CN1CCS[C@@H](C)[C@@H]1c1ccccc1 1307473690 QRRSOJXPVSZABZ-OXJNMPFZSA-N 322.477 4.545 30 20 DJED N#Cc1c(F)cccc1CNC1CCC2(CCCCC2)CC1 1308691751 XGEGVFSVFNRXKG-UHFFFAOYSA-N 300.421 4.680 30 20 DJED CC1(C(=O)Nc2sc3c(c2C#N)CCCC3)CCCCCC1 1350252292 RCKOKMOGIYBNFS-UHFFFAOYSA-N 316.470 4.798 30 20 DJED CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 1354788407 XTXRHBMDHHTLAN-ZDUSSCGKSA-N 304.821 4.757 30 20 DJED CCc1cc(C#N)c(NC(=O)c2ccc(CC(C)C)s2)s1 1356584427 VXKQAELRWGNENH-UHFFFAOYSA-N 318.467 4.694 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C/C=C\c1ccc(F)cc1F 1462366150 WLPGVFSRQCXUMZ-HJHHMULASA-N 312.363 4.543 30 20 DJED CC[C@H]1CN(Cc2ccccc2C(C)(C)C#N)c2ccccc2O1 1473194828 LTEBEZBDHLRYDJ-KRWDZBQOSA-N 320.436 4.665 30 20 DJED C[C@@H]1CCc2sc(NC(=O)CCC3CCC3)c(C#N)c2[C@@H]1C 1527538618 DRNZZZZMGSWKTP-VXGBXAGGSA-N 316.470 4.824 30 20 DJED CC[C@H](CN(CC)Cc1ccc(C#N)cc1F)c1ccccc1 1560771845 HFMUYCUOHNYMKD-QGZVFWFLSA-N 310.416 4.713 30 20 DJED CC[C@@H](CC(=O)N(CCC#N)C(C)(C)CC)c1ccc(C)cc1 1585574706 GRRFIGPQMHROFR-KRWDZBQOSA-N 314.473 4.810 30 20 DJED CN(Cc1ccc(C#N)cc1F)C1CCC(C(C)(C)C)CC1 1621209577 LTITXUUVRBYFNL-UHFFFAOYSA-N 302.437 4.734 30 20 DJED CC(C)CN(CCC#N)Cc1cc(Cl)cc(C(F)(F)F)c1 1621210620 YQJGHPAZFDMFPD-UHFFFAOYSA-N 318.770 4.730 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1Sc1cccc(O)c1 1650949789 DCRYTMYZEQIOHN-UHFFFAOYSA-N 312.781 4.617 30 20 DJED CSc1ccc(C)c(NC2CC(C#N)(c3ccccc3)C2)c1 1652012442 YRPSWEAHJQIJAN-UHFFFAOYSA-N 308.450 4.753 30 20 DJED Cc1nc(N2CCCCC[C@H]2/C=C/c2ccccc2)ccc1C#N 1655357326 YAYAUPAHUFXYAR-RPAADVPWSA-N 317.436 4.724 30 20 DJED C[C@@H](CNc1cccc(CC#N)c1)c1ccc(C(F)(F)F)cc1 1664752225 WKWZMHAQKMEBRJ-ZDUSSCGKSA-N 318.342 4.987 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C 1669600401 IFFBNCBZBHXITI-JKSUJKDBSA-N 313.445 4.593 30 20 DJED Cc1cc(C#N)cc(NC(=O)NCC(C)(C)C2CCCCC2)c1 1672775803 RMHQTFUXEAKPCL-UHFFFAOYSA-N 313.445 4.595 30 20 DJED CCCCc1ccc(C(=O)/C=C\c2ccc(C(=O)O)s2)cc1 1776806018 STWJNFKGYZBXKL-LUAWRHEFSA-N 314.406 4.685 30 20 DJED C=CCN(CC=C)CC(=O)Nc1c(C(C)C)cccc1C(C)C 46438321 MAPFSMVECAIOGH-UHFFFAOYSA-N 314.473 4.546 30 20 DJED CC[C@@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 57375772 OLYWOPRIZCVJLS-CYBMUJFWSA-N 308.381 4.644 30 20 DJED C=CCC(CC=C)C(=O)O[C@@H](c1ccccc1)c1nccs1 91775818 QDEFZKKCYKQDQA-INIZCTEOSA-N 313.422 4.544 30 20 DJED C[C@@H](NC[C@H](C#N)CCC#N)c1ccc(Oc2ccccc2)cc1 112540517 MXMDMKTYIGCGGC-SJORKVTESA-N 319.408 4.573 30 20 DJED N#CCC[C@H](NC(=O)c1cc2ccccc2s1)c1ccccc1 153704310 BBNTZGKPSRDZAD-INIZCTEOSA-N 320.417 4.676 30 20 DJED CCc1ccc(Nc2cc(Br)c(C#N)cc2F)cc1 311411749 LGCJTZVABYJLNV-UHFFFAOYSA-N 319.177 4.766 30 20 DJED CC(C)(C)C1CCC(C/C(O)=N/Cc2noc(C3CC3)n2)CC1 328950706 LIVNLBXPGKRSBA-UHFFFAOYSA-N 319.449 4.646 30 20 DJED C[C@@H]1C[C@@H](/C(O)=N/[C@@H]2CCC(O)=N[C@H]2C(C)(C)C)CC(C)(C)C1 329311472 ZTIUDDWBYHZFHQ-IXYNUQLISA-N 322.493 4.939 30 20 DJED CCC[C@@H](C#N)N(C)C(=O)c1oc2c(ccc3ccccc32)c1C 410824960 FDKXNSDRQQJOCT-HNNXBMFYSA-N 320.392 4.659 30 20 DJED CO[C@@H](c1ccccc1Cl)[C@@H](C)NCCCCC(C)(C)C#N 444674466 KWUUCMXEAMTZQJ-RHSMWYFYSA-N 322.880 4.726 30 20 DJED CCS[C@@H]1CCC[C@H](N[C@@H](CC)c2ccc(C#N)cc2)C1 447584118 DXEMOXCLGBVICG-KSZLIROESA-N 302.487 4.663 30 20 DJED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CC1CC1 460152615 UEZZGAIQUJDEHQ-UHFFFAOYSA-N 324.811 4.545 30 20 DJED Cc1ccc(-c2cnc(COc3ccc(C#N)cc3Cl)o2)cc1 463252148 ZGKNXZGTVSIQQT-UHFFFAOYSA-N 324.767 4.754 30 20 DJED C=CCCN(C)C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 466547522 DQXXBVCQEGMSPP-UHFFFAOYSA-N 313.401 4.505 30 20 DJED C=CCC(CC=C)C(=O)N(C)C1c2ccccc2-c2ccccc21 467517775 HLUWKDLXUAWEFA-UHFFFAOYSA-N 317.432 4.983 30 20 DJED CC(C)(C#N)CC(=O)N(Cc1ccccc1Cl)C1CCCC1 469375966 WTONCKAMUWAWEI-UHFFFAOYSA-N 318.848 4.551 30 20 DJED CC[C@@H]1CCCC[C@H]1C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 475117817 MOIRBXKZYLBAIW-KVSKMBFKSA-N 312.457 4.684 30 20 DJED C=C(C)[C@H](Nc1ncnc2ccccc12)c1ccc(F)c(F)c1 475727344 FILASBXBYNWPOV-KRWDZBQOSA-N 311.335 4.637 30 20 DJED N#CCSCCCSCc1ccc(C(F)(F)F)cc1 475876343 YCFVJXCSRVPJLF-UHFFFAOYSA-N 305.390 4.585 30 20 DJED CC(C)CN(CC(C)(C)C)C(=O)c1ccc(C(C)(C)C#N)cc1 476355901 PWGQZZBFRPKQCW-UHFFFAOYSA-N 314.473 4.632 30 20 DJED Cc1ccc2c(C(=O)N[C@@H](C)c3ccc(C#N)cc3)csc2c1 479669981 GBBDRLYHFZPROI-ZDUSSCGKSA-N 320.417 4.572 30 20 DJED C=C(C)C[C@@H](C)C(=O)Nc1cc2sc(C)nc2cc1Cl 484685072 ZIWRRJBVSALHBT-SECBINFHSA-N 308.834 4.799 30 20 DJED CC(C)(C#N)c1ccccc1CNc1c(F)cc(F)cc1F 486550099 NVCHMWAXQXLCTH-UHFFFAOYSA-N 304.315 4.517 30 20 DJED CCc1cccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)c1CC 487631569 KCECGYBPIVXXGV-CQSZACIVSA-N 321.424 4.566 30 20 DJED CC(C)c1nc(CSCc2ccc(F)cc2C#N)cs1 488549946 DCFBLGBTXXSJRG-UHFFFAOYSA-N 306.431 4.711 30 20 DJED CCOc1cc(Cl)ccc1N[C@H](C)c1ccc(C#N)cc1 531836298 GIVJQTUGTXLOGW-GFCCVEGCSA-N 300.789 4.783 30 20 DJED Cc1cc(F)cc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c1 539173863 IZFDSLARAKZHIA-UHFFFAOYSA-N 316.401 4.617 30 20 DJED CO[C@@H](CSc1ccc(C#N)cc1Cl)c1ccccc1 548966199 VAKWTTQBADGWDU-HNNXBMFYSA-N 303.814 4.691 30 20 DJED C=CCC[C@@H](NCCCCN1CCCC[C@H]1C)c1ccco1 552225382 FYWHUKRQAXRIPO-QZTJIDSGSA-N 304.478 4.531 30 20 DJED CC(C)(C#N)CCOc1c(Cl)cc(Cl)c2cccnc12 554942634 KNSACPBBIDYROG-UHFFFAOYSA-N 309.196 4.860 30 20 DJED Cc1nsc(N[C@@H](C)c2ccccc2C(F)(F)F)c1C#N 561212902 RDESMKCXGGCTNW-QMMMGPOBSA-N 311.332 4.515 30 20 DJED CC(C)Oc1cccc([C@H](C)N[C@H]2CCc3ccc(C#N)cc32)c1 576197499 HICMKXHZAYEHBV-BTYIYWSLSA-N 320.436 4.684 30 20 DJED N#CC[C@H](Cc1nc(CCC2CCCCC2)no1)c1ccccc1 583838037 OOUFSCTWBXQFNG-GOSISDBHSA-N 323.440 4.822 30 20 DJED CC(C)N(C(=O)CC1(C#N)CCCCC1)[C@@H](C)c1ccsc1 598840220 BXVPKBDOUMACJI-HNNXBMFYSA-N 318.486 4.910 30 20 DJED C[C@@H](Nc1c2c(cc3c1CCC3)CCC2)c1cccc(C#N)c1 600854244 PIBHZVZKJBCDQG-CQSZACIVSA-N 302.421 4.709 30 20 DJED C=CCCCCCN(C)C(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 606816407 VXCSNBOJGLKIBZ-NVXWUHKLSA-N 303.446 4.540 30 20 DJED Cc1c(C#N)cccc1NC(=O)C1(c2cccc(Cl)c2)CCC1 610907340 FWHSXBBBCBVTQL-UHFFFAOYSA-N 324.811 4.581 30 20 DJED Cc1ccc(F)c(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c1 611092865 RJNAECVPSKWBOM-UHFFFAOYSA-N 323.154 4.565 30 20 DJED Cc1cc(C)cc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c1 611093277 UEIGXKHRFBSBBE-UHFFFAOYSA-N 319.191 4.734 30 20 DJED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1csc(Cl)c1 615759226 ABFXNCAKFHOANI-NSHDSACASA-N 302.830 4.613 30 20 DJED Cc1ccc(C=NNc2ccc(OCC(F)(F)F)cc2)c(C)c1 727262424 PXODROSSQUYLBI-UHFFFAOYSA-N 322.330 4.691 30 20 DJED C[C@H](Nc1ccc(Cl)c(C#N)n1)c1csc2ccccc12 731479818 WEHAIBLUSQAANK-JTQLQIEISA-N 313.813 4.994 30 20 DJED N#C[C@@H](NC(=O)C=C1CCCCC1)c1ccc(Cl)c(Cl)c1 731645039 FDBYDFSBDIFMCY-OAHLLOKOSA-N 323.223 4.565 30 20 DJED C=CC[C@H](NC(=O)CCCC1CCCCC1)c1ccncc1 734237748 UEOSUFSPJJXARC-SFHVURJKSA-N 300.446 4.566 30 20 DJED C=CCCCCCN(C)C(=S)Nc1ccc2c(c1)CCC2 739461924 YRYJWFMWNMOCAI-UHFFFAOYSA-N 302.487 4.550 30 20 DJED CCCOc1ccc(/C=C2\CCc3cc(C#N)ccc3C2=O)cc1 742438466 XTBYETXUDDSLAN-LDADJPATSA-N 317.388 4.560 30 20 DJED O=C(/C=C\c1ccsc1)c1ccc(-c2ccc(C(=O)O)o2)cc1 747122421 KBMCHJOTHUSZNZ-BHQIHCQQSA-N 324.357 4.602 30 20 DJED CCOc1cc(/C=C\C(=O)c2coc3ccccc23)ccc1OC 747706290 TYHHZAFNUHYQKL-NTMALXAHSA-N 322.360 4.736 30 20 DJED C=CCCCC(=O)OCc1sc(-c2ccccc2)nc1C 748236262 UIGLEZDLSMKVMU-UHFFFAOYSA-N 301.411 4.518 30 20 DJED FC(F)(F)c1ccccc1ON=C[C@@H]1C[C@@H]1c1ccccc1 755816453 QWQLJHOIIQRJLQ-UONOGXRCSA-N 305.299 4.874 30 20 DJED C=CCCCc1nc(-c2ccc(SC(C)(C)C)nc2)no1 762351144 QUGOIINMXXMMKM-UHFFFAOYSA-N 303.431 4.531 30 20 DJED CO[C@@H](C/N=C\c1cc(Cl)ccc1O)c1ccccc1Cl 763097004 MEKKLNRDDBVTEU-SCPBCGJWSA-N 324.207 4.506 30 20 DJED C=C(C)[C@H](NCc1cc(Cl)ccc1O)c1ccc(F)c(F)c1 775318363 GFZMRQAKMIYJIW-KRWDZBQOSA-N 323.770 4.731 30 20 DJED Cc1ccoc1CNc1ccc(OCc2cccc(C#N)c2)cc1 779594671 NYJDACRJOHMKMN-UHFFFAOYSA-N 318.376 4.651 30 20 DJED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(-c2ccccc2)cc1C 782265480 TVWXCEBTXBWBCT-NRFANRHFSA-N 323.436 4.829 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2cc(C(C)C)oc2C)cc1 795788849 CCDGELVUTPNNJV-UHFFFAOYSA-N 310.397 4.580 30 20 DJED C=CCCCCCCNC(=O)N(C1CC1)[C@@H](C)c1ccco1 807570613 BDHNZOSDXNNPLI-HNNXBMFYSA-N 304.434 4.651 30 20 DJED N#Cc1ccc2c(c1)[C@H](Nc1cccc(N3CCCCC3)c1)CC2 810230524 IIUVTDLRLCRERM-OAQYLSRUSA-N 317.436 4.648 30 20 DJED COCc1ccccc1/C=C(C)/C=C\C(=O)c1cccc(F)c1 814186714 NPAFJDRHOGNWOQ-WTPCJXRQSA-N 310.368 4.815 30 20 DJED Cc1ccccc1C=NOCc1cc(Cl)cc2cccnc12 914786801 QEVPNVKNQWQTIC-UHFFFAOYSA-N 310.784 4.747 30 20 DJED O=C(/C=C\c1ccc(-c2ccccc2F)o1)c1ccc(O)cc1 917030209 BZEFBEBRFLFMQT-LUAWRHEFSA-N 308.308 4.687 30 20 DJED CC/C=C(\C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 921009595 BKBCLBAZUSKKER-LNKIKWGQSA-N 306.365 4.645 30 20 DJED C=C1CCN(C(=O)Nc2c(CCC)cccc2C(C)C)CC1 931047688 GLXZWIJJUCXOHV-UHFFFAOYSA-N 300.446 4.946 30 20 DJED C=C(Br)CN1CCC[C@H](CCCc2ccccc2)C1 1168276532 UIIBAWMZVMNVAN-KRWDZBQOSA-N 322.290 4.630 30 20 DJED C[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccc2c(c1)CCC2 1168741999 YLFVUVJCLNOFAX-MRXNPFEDSA-N 318.464 4.827 30 20 DJED CCCC(CCC)Nc1ccc(NC(=O)OCC)c(C#N)c1 1180795359 VTVMATKAWVJPMT-UHFFFAOYSA-N 303.406 4.507 30 20 DJED CC(C)(C)[C@H]1CCN(c2c(C#N)cnc3c(Cl)cccc23)C1 1185914981 RRCGXCLDUVPBAQ-ZDUSSCGKSA-N 313.832 4.632 30 20 DJED C=C(Br)CN1C[C@H](c2ccccc2)c2ccccc21 1193933821 YHZGZMNNRNWLFR-MRXNPFEDSA-N 314.226 4.547 30 20 DJED C=C(CNCc1ccc(-c2ccccc2F)o1)c1ccccc1 1200135362 LOMNIJMHLDGQMU-UHFFFAOYSA-N 307.368 4.889 30 20 DJED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)c1 1219113332 OKFJSTRRCJGFIV-IAGOWNOFSA-N 313.445 4.593 30 20 DJED C=CCN(C(=O)c1ccc(SC(F)F)cc1)c1ccccc1 1318271789 QEFFLVDMZFVVCD-UHFFFAOYSA-N 319.376 4.834 30 20 DJED CC(C)(C)c1ccc2c(c1)CCN2c1nc(Cl)c(C#N)s1 1458330331 JIXANVARZWOTEG-UHFFFAOYSA-N 317.845 4.660 30 20 DJED N#Cc1ccnc(COc2ccc(-c3ccccc3)cc2Cl)c1 1458772619 TVCNIFRQYWYGID-UHFFFAOYSA-N 320.779 4.853 30 20 DJED CCc1cccc2c(C3CCN(C[C@H](C)CCC#N)CC3)c[nH]c12 1461934931 LXAAJWOKXPEQDC-MRXNPFEDSA-N 323.484 4.850 30 20 DJED CCS[C@@H]1CCC[C@H](Nc2nc(C(C)(C)C)ccc2C#N)C1 1472716232 GYVXPFVAENLJKN-LSDHHAIUSA-N 317.502 4.727 30 20 DJED N#Cc1ccc(CCNC2CCC(C3CCCCC3)CC2)cc1 1474207752 DWKPTQLRMXHYBY-UHFFFAOYSA-N 310.485 4.829 30 20 DJED N#Cc1ccccc1Sc1ccc(NC(=O)C2=CCCC2)cc1 1525749958 QOOKLGAJSFNNAU-UHFFFAOYSA-N 320.417 4.758 30 20 DJED C=C(CNC(=O)c1ccc(C(C)(C)CC)cc1)c1ccccc1 1527584724 ARGZWZFQTYIPSG-UHFFFAOYSA-N 307.437 4.817 30 20 DJED C[C@@H](C(=O)Nc1cc2ccccc2cc1C#N)c1ccccc1F 1535800070 NYWBKQCSOSLUQG-CYBMUJFWSA-N 318.351 4.593 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)Nc1ccc(F)cc1C#N 1543436911 KLKNOPKWWJFBDU-AWEZNQCLSA-N 302.393 4.632 30 20 DJED N#Cc1cccc(N[C@H](c2cccc(Cl)c2)C2CCCC2)n1 1559144758 YGFGXTNWTIMPFK-SFHVURJKSA-N 311.816 4.950 30 20 DJED Cc1nc(SCCC2(C#N)CCCCC2)c2ccccc2n1 1559314937 BYUCHVPOIRBEFX-UHFFFAOYSA-N 311.454 4.895 30 20 DJED COc1cccc(CN(Cc2ccc(C#N)cc2C)CC(C)C)c1 1559501419 IRGQNKGFSKVFBS-UHFFFAOYSA-N 322.452 4.534 30 20 DJED Cc1cc(C#N)cc(NCc2cccc(Oc3ccccn3)c2)c1 1620968851 OKRASJDCZHNODD-UHFFFAOYSA-N 315.376 4.666 30 20 DJED Cc1cccc2c1CCN2c1c(C#N)cnc2c(Cl)cccc12 1643087971 PJVHQJDEFJUCLU-UHFFFAOYSA-N 319.795 4.763 30 20 DJED C[C@@H](NCc1ccc(Cl)cc1C#N)C(C)(C)c1ccccc1 1645138345 NBLHORJYYQAXMG-CQSZACIVSA-N 312.844 4.668 30 20 DJED Cc1cc(N[C@@H]2C[C@@]2(C)C(C)C)n2c(nc3ccccc32)c1C#N 1651128368 BBLHLKCLNUQBQD-XLIONFOSSA-N 318.424 4.514 30 20 DJED CC[C@@H]1CN(Cc2cccc(C#N)c2)CC[C@H]1c1ccccc1 1652659716 YPOGHQLVTXODET-TZIWHRDSSA-N 304.437 4.574 30 20 DJED CCCCN(CCC1(C#N)CCCCC1)[C@@H]1CCCC[C@H]1OC 1653607108 XNITXKJATQYYGV-RTBURBONSA-N 320.521 4.910 30 20 DJED COc1cccc([C@H](C)SCc2ccc(F)cc2C#N)c1 1656369178 HPTUBVBHNMXDPV-LBPRGKRZSA-N 301.386 4.700 30 20 DJED C[C@H](Cc1ccc(Cl)cc1)N[C@@H]1CCCc2cc(C#N)ccc21 1658370951 LUTYXRZOOCDVSQ-JLTOFOAXSA-N 324.855 4.810 30 20 DJED Cc1c(C#N)cccc1NC(=O)Nc1cccc(OC(C)(C)C)c1 1659837600 IYDXHMGTRDVSTP-UHFFFAOYSA-N 323.396 4.688 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C[C@@]1(C)C[C@@H]1c1ccccc1 1663600948 RXHLJMBURPMZBQ-FGZHOGPDSA-N 318.464 4.962 30 20 DJED CCC1(CC)CCC(NC(=O)Nc2ccc(C#N)c(F)c2)CC1 1678225825 ZDEYYTOKGCSLND-UHFFFAOYSA-N 317.408 4.568 30 20 DJED CC(C)(C#N)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 42107585 YQIIDDKBGOKYQT-UHFFFAOYSA-N 314.772 4.621 30 20 DJED C=CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1Cl)c1ccccc1 71846384 ZVUPOUOHQPPCEQ-DLBZAZTESA-N 311.812 4.663 30 20 DJED CC[C@H](C(=O)[C@@H](C#N)c1nc(C(C)C)cs1)c1ccccc1 80459265 WPDPBLWAGCXBJM-LSDHHAIUSA-N 312.438 4.637 30 20 DJED Cc1ccc(/C=C\C(=O)c2ccc(Br)cc2)s1 96551550 OFKQZJVIVFMBRB-HJWRWDBZSA-N 307.212 4.715 30 20 DJED CC(C)Oc1ccc(CN[C@@H](CCC#N)c2ccccc2)cc1 130501947 WJNYPIYRCVSQGL-FQEVSTJZSA-N 308.425 4.608 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2cccc(-c3ccccn3)c2)s1 134509535 YZUYJWSTTKXGEI-VQHVLOKHSA-N 316.385 4.578 30 20 DJED CC(C)(C)c1cnc(CSc2ccc(C#N)cc2Cl)o1 163322856 YBKGEIJFJXCSQG-UHFFFAOYSA-N 306.818 4.789 30 20 DJED CCCCCCCC(=O)N[C@@H](c1ccccc1)c1cccnc1 171222809 PYDORALEXXSVPR-FQEVSTJZSA-N 310.441 4.648 30 20 DJED C=CC[C@H](C(=O)Nc1cccc(-c2cnco2)c1)c1ccccc1 186962468 DGRDQAOWEJNRIR-SFHVURJKSA-N 318.376 4.640 30 20 DJED N#Cc1ccc(Oc2cccc(N=Cc3ccccc3O)c2)cc1 254759549 NVEUYCUJBACASJ-UHFFFAOYSA-N 314.344 4.807 30 20 DJED C[C@@H](CC#N)N(C)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 255126431 VSQAJUOWLSSDFS-AWEZNQCLSA-N 321.384 4.868 30 20 DJED N#CCC[C@H](NC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1ccccc1 354194827 JADNJVFVCCWZAO-MDNKFWRPSA-N 324.468 4.754 30 20 DJED N#CCCCC(=O)N(Cc1ccccc1)c1ccc(Cl)cc1 361607212 NHIKKQMUFKZALH-UHFFFAOYSA-N 312.800 4.567 30 20 DJED C=CCC(C)(C)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 431959881 XUPHYUSYYPKDFO-UHFFFAOYSA-N 300.402 4.666 30 20 DJED Cc1ccc(C#N)cc1NC(=O)[C@@H](C)c1ccc2ccccc2c1 439753625 BNUNFXGCLJODNW-HNNXBMFYSA-N 314.388 4.762 30 20 DJED C=CCC1(C(=O)Nc2ccc(OC(F)F)cc2F)CCCC1 451715429 XCLODQDEUXGSIQ-UHFFFAOYSA-N 313.319 4.502 30 20 DJED CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@H](C)c1cccc(C#N)c1 463817251 KLSHHWCXIKGSKI-OXQOHEQNSA-N 320.436 4.517 30 20 DJED C=CCCN(C)C(=O)Nc1ccc(C)cc1OCc1ccccc1 466376814 ODANUGOMRRUJHD-UHFFFAOYSA-N 324.424 4.614 30 20 DJED N#Cc1ccccc1Oc1ccc(NC(=O)C2=CCCC2)cc1F 472006991 JHUUEQORJNRMPS-UHFFFAOYSA-N 322.339 4.538 30 20 DJED CCN(C(=O)C[C@@H](CC#N)c1ccccc1)c1cccc(C)c1C 475114290 HBASNWSVSPXJCP-LJQANCHMSA-N 320.436 4.744 30 20 DJED CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 476078995 IVBYCGKZLPQUTH-CRAIPNDOSA-N 312.457 4.529 30 20 DJED CSc1cccc(NCc2ccc(Cl)cc2C#N)c1C 478353460 YUPSZBAHIKSFRL-UHFFFAOYSA-N 302.830 4.854 30 20 DJED CC(C)(C#N)c1ccccc1CNc1ccccc1OCC1CC1 486570550 JBMBKQOVTUYLQN-UHFFFAOYSA-N 320.436 4.889 30 20 DJED N#Cc1cccnc1N[C@H](c1c(Cl)cccc1Cl)C1CC1 514831881 DBZPLTYQLVCBCN-HNNXBMFYSA-N 318.207 4.823 30 20 DJED CCCC[C@H]1CCC[C@@H]1NCc1cccc(OCCCC#N)c1 520963381 FWMLEHFRJZWRMC-ICSRJNTNSA-N 314.473 4.818 30 20 DJED CCC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](CC#N)c1ccccc1 527249453 OTACUFZLSUVSJQ-GUDVDZBRSA-N 312.457 4.549 30 20 DJED C[C@@H](Sc1ccc(C#N)cc1Cl)C(=O)c1ccccc1 531544585 YULLSISYWYSYRJ-LLVKDONJSA-N 301.798 4.575 30 20 DJED CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1sc(C)c(C)c1C#N 548959391 ZWFJVQQAXDMKCI-JKSUJKDBSA-N 324.449 4.541 30 20 DJED N#Cc1cccc(C2(N[C@H]3CCCc4ccc(Cl)cc43)CC2)c1 579385019 OYWYJPNWJKXBJG-IBGZPJMESA-N 322.839 4.868 30 20 DJED C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)CCCCCC#N 588632087 QUEJEMGUUGRGGP-LSDHHAIUSA-N 320.864 4.764 30 20 DJED CC(C)(C#N)CNc1cc(C(F)F)nc2ccc(Cl)cc12 588827761 STKVFKCIKODESX-UHFFFAOYSA-N 309.747 4.787 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1F)c1ccc(F)c2ccccc12 588931592 QEYZDPITHMTYSD-CYBMUJFWSA-N 322.358 4.840 30 20 DJED CSc1ccc(CSCCOc2cccc(C#N)c2)cc1 604064865 MSGXXJGXMRBKFI-UHFFFAOYSA-N 315.463 4.592 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)N[C@@H](C)c1cccc(C#N)c1 610362337 PZGNQZBMIORIAF-YJBOKZPZSA-N 312.457 4.732 30 20 DJED CC[C@H](C)n1ncc(N[C@H]2CCCc3cc(C#N)ccc32)c1C 616365817 SIIYPNCXRYDHFK-UGSOOPFHSA-N 308.429 4.524 30 20 DJED C=C[C@@H](CC(=O)N1CCc2ccccc2[C@@H]1CC)c1ccccc1 677552922 SGFQMOFJCWLFNB-UWJYYQICSA-N 319.448 4.882 30 20 DJED O=C(/C=C/c1cccnc1Cl)c1cc(Cl)ccc1Cl 728694892 MDVXZGNBDMVDCD-ZZXKWVIFSA-N 312.583 4.938 30 20 DJED C=C(CNCc1ccc(CSC(F)F)o1)c1ccccc1 742717949 ICNMUNFQCRYQMT-UHFFFAOYSA-N 309.381 4.538 30 20 DJED Oc1ccc2ccccc2c1C=Nc1ccc(-c2cnc[nH]2)cc1 743334197 QKOIRYYFIBTABX-UHFFFAOYSA-N 313.360 4.686 30 20 DJED N#Cc1ccsc1C(=O)Oc1ccc(-c2ccccc2)cc1 748053412 NNLOFWAMPJUIMJ-UHFFFAOYSA-N 305.358 4.506 30 20 DJED Cc1cc(C)c(NN=Cc2c(C)nn(C(C)(C)C)c2C)c(C)c1 755748639 DWZSTEPXAZPDED-UHFFFAOYSA-N 312.461 4.626 30 20 DJED C=C[C@@H](CC(=O)Oc1ccc(N2CCCC2)cc1)c1ccccc1 759418193 DDYIUHPIOQESNT-KRWDZBQOSA-N 321.420 4.552 30 20 DJED CC(C)(C)c1cnc(S[C@@H](C#N)Cc2ccccc2)s1 759718917 QVLLPPDQKAYGJJ-CYBMUJFWSA-N 302.468 4.668 30 20 DJED CC(=NNc1c(Cl)cccc1Cl)c1cnc(C)s1 761268220 XVDIEIUWOVVOQU-UHFFFAOYSA-N 300.214 4.594 30 20 DJED CSc1ccc(C(=O)/C=C\c2cccc(C#N)c2)c(Cl)c1 765613332 KMKBMLMLBXVMFL-YVMONPNESA-N 313.809 4.830 30 20 DJED O=C(/C=C\c1cccc(-c2cccnc2)c1)c1ccc(F)c(F)c1 768493004 JKGKMRYJBZVPHP-TWGQIWQCSA-N 321.326 4.923 30 20 DJED CCC[C@H](C(=O)OCCCCC(C)(C)C#N)c1ccccc1 768509331 FBYVODVBZOZRDE-KRWDZBQOSA-N 301.430 4.834 30 20 DJED CC(C)Oc1ccc(NCc2ccc3cnccc3c2)cc1C#N 784315513 GBCJSOYFKFCBIH-UHFFFAOYSA-N 317.392 4.506 30 20 DJED O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)c1cncs1 787173041 WGINUHOEQYTJAP-RJRFIUFISA-N 317.719 4.711 30 20 DJED Cc1cn2c(/C=C/C(=O)c3csc(Cl)c3)c(C)nc2s1 787185995 KICICFYOUFEORG-ONEGZZNKSA-N 322.842 4.624 30 20 DJED N#CC[C@H](CC(=O)OCc1sccc1Cl)c1ccccc1 796914139 HNTPKOGAFYBPRY-CYBMUJFWSA-N 319.813 4.532 30 20 DJED CC[C@H](C#N)Oc1cccc(CN[C@H](CC)c2ccsc2)c1 834650838 RBAXLUVWEMBUFT-SJLPKXTDSA-N 314.454 4.670 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccc(OC(F)F)cc2)cc1C 916137552 JYHTXBYLVZCVOD-UXBLZVDNSA-N 302.320 4.801 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccccc2OC2CCCC2)cc1 920062991 NIYCAFFPADCXJY-YPKPFQOOSA-N 317.388 4.776 30 20 DJED CC(=NNc1ccccc1C(=O)O)c1cc(Cl)ccc1Cl 920947435 JTGDWVXEGSABGI-UHFFFAOYSA-N 323.179 4.528 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1sccc1Cl 1308429156 ZNQXCEKLKHFOHV-UHFFFAOYSA-N 306.818 4.672 30 20 DJED C[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C1CCC1 1434916226 SKTWNXAGBZKJIR-CQSZACIVSA-N 320.392 4.725 30 20 DJED N#C[C@H]1CCC[C@H](OC(=O)c2sc3ccccc3c2Cl)C1 1436647193 ABUATMGCPUGZJE-QWRGUYRKSA-N 319.813 4.794 30 20 DJED CN(C(=O)CC1(C#N)CCCCC1)[C@@H]1CCC[C@@H]1c1ccccc1 1436656533 PWFSTTZPHOIDMF-RTBURBONSA-N 324.468 4.645 30 20 DJED CC(C)(C)[C@@H]1CN(Cc2ccc(F)c(C#N)c2)c2ccccc21 1473431140 AJUVLHVJUBVNHY-QGZVFWFLSA-N 308.400 4.847 30 20 DJED CC(C)(C)C[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C1(C)C 1473542270 OKWYXKZDOQYDFR-MRXNPFEDSA-N 302.437 4.734 30 20 DJED CC[C@H](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@H](C)CC2 1524032182 ZVTGMSAOAZUUEE-RNJOBUHISA-N 318.486 4.926 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)[C@H]3CC[C@@H](C)C3)c2C#N)[C@@H](C)C1 1527032047 GTXHSZSQCRMSFS-VOAKCMCISA-N 316.470 4.680 30 20 DJED Cc1ccc(N(CCC#N)C(=O)C[C@@H](C)C2CCCCC2)cc1 1542615248 LKFMNDIKGZRLDQ-QGZVFWFLSA-N 312.457 4.848 30 20 DJED CC(C)Cc1cccc([C@H](C)C(=O)Nc2cc(F)cc(C#N)c2)c1 1544397177 PIXCJBGQSJSZNU-AWEZNQCLSA-N 324.399 4.638 30 20 DJED C[C@@H](CCC#N)CN(C)Cc1ccccc1OCc1ccccc1 1560967970 SKEDNAXCMFUOCB-SFHVURJKSA-N 322.452 4.637 30 20 DJED CCCC[C@H](CC)CNC(=O)Nc1ccc(C#N)c(Cl)c1 1562110409 LXSTYHWHQOJNNA-LBPRGKRZSA-N 307.825 4.550 30 20 DJED C[C@H](CCC#N)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1 1616691968 RZVQDYNMTZFMFF-HUUCEWRRSA-N 312.388 4.961 30 20 DJED Cc1ccc(N(Cc2ccc(OCC#N)cc2)CC(C)C)c(C)c1 1619799338 JBYOWGPJQNXNCA-UHFFFAOYSA-N 322.452 4.868 30 20 DJED Cc1ccc(-c2cccc(CNc3ccc(C#N)c(C)n3)c2)cc1 1639646443 LUGOOHGXRBQXBS-UHFFFAOYSA-N 313.404 4.849 30 20 DJED CC(C)(C)[C@H](Nc1ccc(Cl)c(C#N)n1)c1cccc(F)c1 1650873333 KGUFOPCKKASGRQ-MRXNPFEDSA-N 317.795 4.945 30 20 DJED N#Cc1ccc(Br)c(OCC2CCCCCC2)c1 1653010290 NIBJWSHUYXXJRR-UHFFFAOYSA-N 308.219 4.670 30 20 DJED N#Cc1cc(Cl)ccc1CN[C@H]1CCCCC12CCCC2 1654536701 NNUDXKBJEWPHRB-KRWDZBQOSA-N 302.849 4.804 30 20 DJED CC[C@@H]1CCCC[C@@H]1Nc1nccc(Oc2cccc(C#N)c2)n1 1654957598 RLTJEPKKIGBHJK-WBVHZDCISA-N 322.412 4.521 30 20 DJED N#CCc1ccc(CSc2nc3ccc(F)cc3s2)cc1 1656870926 RYWYEZWUWNSMCW-UHFFFAOYSA-N 314.410 4.794 30 20 DJED CC(C)CN(CCc1ccc(C#N)cc1)c1ccc(Cl)cc1 1657574233 LOBQYLJLGQFOBD-UHFFFAOYSA-N 312.844 4.917 30 20 DJED Cc1csc(NC(=O)N2CCCC[C@H]2CCC(C)C)c1C#N 1661563786 IYEHFDSLZUDYQN-AWEZNQCLSA-N 319.474 4.751 30 20 DJED C=CCCCC(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C 177537929 ZYYQZPPYBCLICF-UHFFFAOYSA-N 322.408 4.542 30 20 DJED CCOc1ccc([C@H](C)Nc2cccc(OCCCC#N)c2)cc1 193905844 JJLLCNIMEYUKAE-INIZCTEOSA-N 324.424 4.941 30 20 DJED N#CCCCOc1cccc(N[C@H]2CCCc3ccccc32)c1 193907487 WCXYGRJGMLYMII-FQEVSTJZSA-N 306.409 4.859 30 20 DJED CCCCOc1cc(/C=C\C(=O)c2cccs2)ccc1OC 206088848 AESVZPMIPKUBAX-CLFYSBASSA-N 316.422 4.832 30 20 DJED Cc1ccc([N+](=O)[O-])cc1N=Cc1c(O)ccc2ccccc12 252462580 UKSZSUCPGHHDAT-UHFFFAOYSA-N 306.321 4.513 30 20 DJED Cc1cc(C)c2nc(N=C(O)[C@H]3CCC(=O)[C@H](C)C3)sc2c1 328910168 NGGHMSRMRAHOKN-PWSUYJOCSA-N 316.426 4.506 30 20 DJED C=CCOc1ccc(CN[C@@H](CC(F)F)c2ccccc2)cc1 421367271 DJJJSHQXMXCDEM-SFHVURJKSA-N 317.379 4.738 30 20 DJED Cc1cc(F)ccc1C1CCN(CCCC(C)(C)C#N)CC1 428751312 MDKMAINICVLUBZ-UHFFFAOYSA-N 302.437 4.644 30 20 DJED Cc1cccc(C)c1NC(=O)CS[C@@H](C)c1cccc(C#N)c1 443157463 YYTYPSUETBKVOX-HNNXBMFYSA-N 324.449 4.608 30 20 DJED N#CCCCC(=O)Nc1ccccc1Oc1ccc(Cl)cc1 463576292 ULYGKWNIALKOBS-UHFFFAOYSA-N 314.772 4.765 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)C1C(C)(C)C1(C)C 469177633 GEWUAYLFJCFBFR-GFCCVEGCSA-N 316.470 4.559 30 20 DJED C=CCCCCCN(C)C(=O)c1cc(-c2ccccc2)ns1 469673469 FLQXQIKRXVRTMF-UHFFFAOYSA-N 314.454 4.629 30 20 DJED CCc1c(C)sc(NC(=O)c2ccc(C)c(Cl)c2)c1C#N 484329194 AKAUMNOJHXCHPA-UHFFFAOYSA-N 318.829 4.705 30 20 DJED CCCCn1c(SCc2cccc(F)c2C#N)nc(C)c1C 488246736 UWFQUELXMIWMHM-UHFFFAOYSA-N 317.433 4.603 30 20 DJED C=CC[C@@H](C(=O)N[C@@H](C)c1cccc(OCC)c1)c1ccccc1 488711944 PEIVDDGTZWLFEM-OXJNMPFZSA-N 323.436 4.622 30 20 DJED CCCN(C(=O)c1cccc(C#N)c1C)c1ccc(Cl)cc1 509476228 PFAARDSWBNAUHF-UHFFFAOYSA-N 312.800 4.577 30 20 DJED N#Cc1ccc(CSCc2sccc2Br)cc1 518014255 WAFPHJMPYRVNEH-UHFFFAOYSA-N 324.268 4.816 30 20 DJED CCC(CC)[C@H](NCc1cc(C#N)cs1)c1cccs1 530879451 OZQXJCNMGUOQGZ-INIZCTEOSA-N 304.484 4.948 30 20 DJED C=C[C@H](CC(=O)N[C@H](C)c1cccc(OCC)c1)c1ccccc1 536094014 DBQRZRUXIXLYEL-IAGOWNOFSA-N 323.436 4.622 30 20 DJED N#CCCCCN[C@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 537294853 GYZSTBAUJUJZFR-CJNGLKHVSA-N 311.256 4.913 30 20 DJED C=CCCC[C@H](C)NC(=O)Nc1ccc(F)cc1C(F)(F)F 540559232 SXIPROYJLOJOFC-JTQLQIEISA-N 318.314 4.711 30 20 DJED CCN(C[C@H](C)C#N)C(=O)c1ccc(-c2cccc(C(C)C)c2)o1 540689376 IIVYCJKJUSWTML-OAHLLOKOSA-N 324.424 4.692 30 20 DJED C[C@@H]1C[C@@H]1[C@H](NC(=O)CCCCCC#N)c1ccc(Cl)cc1 588621469 LBXJANGEONLOMX-RPVQJOFSSA-N 318.848 4.627 30 20 DJED CC(C)(C)c1csc(NC(=O)c2ccsc2Cl)c1C#N 598839872 WBFSSLHIOVIPHO-UHFFFAOYSA-N 324.858 4.884 30 20 DJED CC[C@H](C)[C@@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 603521280 MGUQGJVOWQFFJI-RZQQEMMASA-N 320.436 4.565 30 20 DJED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(C3CC3)cc2)cc1 619441808 VRPDILHERSIVJD-UHFFFAOYSA-N 304.393 4.617 30 20 DJED CCCc1nc(CON=Cc2ccc(C(C)(C)C)cc2)cs1 725791522 OUIRWIITXRZJOY-UHFFFAOYSA-N 316.470 4.944 30 20 DJED CC(C)Oc1cccc(/C=C2\CCOc3ccccc3C2=O)c1 728441087 CVMANIWKGHOAMJ-FOWTUZBSSA-N 308.377 4.523 30 20 DJED O=C1/C(=C\c2cccc(O)c2)Cc2c1ccc(Cl)c2Cl 729149844 IEWILXJZPRGWDG-POHAHGRESA-N 305.160 4.521 30 20 DJED COc1ccc(Cl)cc1C(=O)/C=C\c1c(F)cccc1F 730584793 CDFUASLXHLRIIN-SREVYHEPSA-N 308.711 4.523 30 20 DJED CCCCCCCCC(=O)Nc1cccc(NC(=O)NCC)c1 742418010 YMFFPZCIDHWQDP-UHFFFAOYSA-N 319.449 4.517 30 20 DJED CC(=NNc1cncc(Cl)n1)c1cccc(-c2ccccc2)c1 746489506 BFZHFPTULARMQI-UHFFFAOYSA-N 322.799 4.633 30 20 DJED CC1(C)CCC/C(=C\c2ccc(OCc3ccncc3)cc2)C1=O 757533758 JJYCLBHZWGGNAY-NBVRZTHBSA-N 321.420 4.823 30 20 DJED C#CCCCCNC(=O)c1cc(-c2ccccc2)ccc1Cl 758627116 SCTBSGNVWBYOJV-UHFFFAOYSA-N 311.812 4.540 30 20 DJED CCOc1cccc(C(=O)/C=C/c2cnc(C3CCC3)s2)c1 760265409 NRUZUTSSQIJCLP-MDZDMXLPSA-N 313.422 4.705 30 20 DJED C[C@@H](c1ccccc1)N(Cc1ccc(O[C@H](C)C#N)cc1)C1CC1 768258181 SHUKKEHCRQKNQA-SJORKVTESA-N 320.436 4.703 30 20 DJED C#CCCCCC(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 773233201 LNOJGIJTLXYYFR-GOSISDBHSA-N 319.448 4.517 30 20 DJED O=C(/C=C/c1ccc(F)nc1)c1ccc(Oc2ccccc2)cc1 777464246 RXYZRMZHJLNOLB-WUXMJOGZSA-N 319.335 4.909 30 20 DJED C=CCN(CCc1ccco1)Cn1ccc(=S)c2ccccc21 778588405 HSHVQDNRBHCWFQ-UHFFFAOYSA-N 324.449 4.652 30 20 DJED CC(C)CCCCCC(=O)Nc1ccccc1O[C@H](C)C#N 780150925 XHCSTJMAIOUUGV-OAHLLOKOSA-N 302.418 4.522 30 20 DJED C#CCC1(C(=O)Nc2ccc3nc(C4CC4)oc3c2)CCCCC1 788449668 CFMVFPLECMGYJE-UHFFFAOYSA-N 322.408 4.618 30 20 DJED Cc1cc(F)ccc1C(=O)/C=C\c1cnc(-c2ccco2)s1 789142275 JUYZEEQRZKIKJM-ALCCZGGFSA-N 313.353 4.747 30 20 DJED Cc1c([C@@H](C)OC(=O)c2ccc(C#N)o2)sc2ccccc12 797091540 SZAFPINZZDTLJH-LLVKDONJSA-N 311.362 4.592 30 20 DJED CSc1ccc(/C=C2\CCOc3ccc(F)cc3C2=O)s1 798232435 VARCFVHLLFFKRB-CSKARUKUSA-N 320.410 4.658 30 20 DJED CC(/C=C\C(=O)c1cccnc1)=C\c1ccccc1C(F)(F)F 799889686 RLUHLGLFXZTAQO-CWXHDNBGSA-N 317.310 4.943 30 20 DJED C[C@@H](OC(=O)CCCCCC#N)c1ccc(C(F)(F)F)cc1 805695764 HPSXTBHSVAQPTC-GFCCVEGCSA-N 313.319 4.784 30 20 DJED CC(=C/c1ccccc1OC(F)F)/C=C/C(=O)c1ccco1 811693656 OGVPDXXJIXBQJC-UPDVNHGHSA-N 304.292 4.723 30 20 DJED Clc1cc(Cl)cc(-c2nc(CON=C3CCC3)co2)c1 863458398 UCXLRZYAXKBMGW-UHFFFAOYSA-N 311.168 4.705 30 20 DJED Fc1ccc(-c2nc(C=NNc3cccc(F)c3)cs2)cc1 920385368 BGUPYLJMODQSHX-UHFFFAOYSA-N 315.348 4.534 30 20 DJED CC[C@H](OC(=O)c1cccc(CC#N)c1)c1ccc(Cl)cc1 920839882 OMIZQVKHRSDYET-KRWDZBQOSA-N 313.784 4.714 30 20 DJED Cc1nc2c(s1)[C@H](N(C)CCCCC1(C#N)CCC1)CCC2 929975232 DHLFWNXOUMZHGX-MRXNPFEDSA-N 317.502 4.625 30 20 DJED Cc1cc(F)ccc1C(=O)/C=C\c1ccc(N2CCCC2)cc1 1116014123 DZILIJJJJNZVQA-WDZFZDKYSA-N 309.384 4.630 30 20 DJED C=CCN(CC1CCCCC1)[C@@H](C(=O)O)c1ccccc1Cl 1118315879 JHFOTPXKJLNABM-QGZVFWFLSA-N 321.848 4.534 30 20 DJED CCSc1ccccc1CN(CCC#N)CC(CC)CC 1167558946 UZBADSXTIXMNLI-UHFFFAOYSA-N 304.503 4.950 30 20 DJED CC(C)[C@@H]1CN(Cc2ccc(C#N)cc2Cl)c2ccccc21 1169908609 RQNBBBZSNIYWDF-KRWDZBQOSA-N 310.828 4.971 30 20 DJED CCOc1cccc([C@H](CC)OC(=O)c2ccc(C)c(C#N)c2)c1 1457290090 JXUMAVCLBCDVKJ-IBGZPJMESA-N 323.392 4.574 30 20 DJED C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)c1cccc(F)c1C#N 1458233188 BYTSMSALHPASLK-QWHCGFSZSA-N 316.807 4.979 30 20 DJED CC(C)(C)c1ccc(C#N)c(NCCC2CCC(F)(F)CC2)n1 1458696473 LNAPKACOTCCYHX-UHFFFAOYSA-N 321.415 4.878 30 20 DJED Cc1cc(CN[C@H]2CC=C(c3ccc(F)cc3)CC2)ccc1C#N 1474087379 UJKOPEHBHSIKOE-NRFANRHFSA-N 320.411 4.732 30 20 DJED CCC(C)(C)c1ccc(C(=O)N[C@H](C)c2cccc(C#N)c2)cc1 1534812543 MFDMOCABFOAKKT-OAHLLOKOSA-N 320.436 4.737 30 20 DJED CCOc1ccccc1[C@@H](CC(C)C)Nc1nccc(C)c1C#N 1559129196 UMCWWOBLZPAZAM-GOSISDBHSA-N 323.440 4.860 30 20 DJED CCC[C@H]1CCCC[C@H]1NCc1cc(Cl)ccc1OCC#N 1559774107 YZYRHCDZWGNLHZ-WMLDXEAASA-N 320.864 4.691 30 20 DJED CC(C)[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1585707582 AWBPFGSNUABIEH-CQSZACIVSA-N 308.381 4.581 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2CCCC[C@@H]2c2ccccc2)n1 1650942513 KJDWQWXEPBLMLE-GOSISDBHSA-N 319.452 4.982 30 20 DJED Cc1ccc([C@H]2CCC[C@H]2N(C)Cc2ccc(C#N)s2)cc1 1652575664 QJQJAEFWEOTPLJ-RTBURBONSA-N 310.466 4.696 30 20 DJED CCc1ccc([C@H]2C[C@@H](C)CCN2CCCC(C)(C)C#N)o1 1652591433 FIQXBYVANYZTGA-DOTOQJQBSA-N 302.462 4.945 30 20 DJED CC[C@H]1CN(Cc2cccc(C#N)c2)CC[C@@H]1c1ccccc1 1652659714 YPOGHQLVTXODET-FPOVZHCZSA-N 304.437 4.574 30 20 DJED C[C@H](CCN(C)[C@H](C)c1cccc(C#N)c1)OCc1ccccc1 1654809227 LLUYXCDUZMGUPB-QZTJIDSGSA-N 322.452 4.546 30 20 DJED CCOc1ccc(CN(Cc2ccc(C#N)c(C)c2)C(C)C)cc1 1658339432 RLBMVHUJMNNVJF-UHFFFAOYSA-N 322.452 4.676 30 20 DJED N#CC1(c2ccccc2)CC(N[C@@H]2CCC[C@@H]2c2ccccc2)C1 1658715050 VMIOOZBTDNDMMA-PWAJEDTMSA-N 316.448 4.536 30 20 DJED C[C@@H](CCC1CCCCC1)NC(=O)Nc1ccc(F)c(C#N)c1 1674180196 FPSOMXSJWJIVDU-ZDUSSCGKSA-N 317.408 4.568 30 20 DJED COc1cccc(CNc2ccccc2S[C@@H](C)CC#N)c1 66861311 XSELYLHUXRKXGD-AWEZNQCLSA-N 312.438 4.702 30 20 DJED CCCCN(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 66953348 ALESDHAFAJCQJJ-UHFFFAOYSA-N 323.396 4.614 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)CC1CCCCC1 108241604 GZGOBJLMCSJICD-CQSZACIVSA-N 316.470 4.847 30 20 DJED Cc1c(CSC(C)C)cccc1NC(=O)c1ccc(C#N)cc1 173366685 IXPIPQFLZVVPOE-UHFFFAOYSA-N 324.449 4.761 30 20 DJED CC(C)(C#N)CCCN1CCSC[C@H]1c1ccc(Cl)cc1 174866293 KUPQZDZCWNWLPF-INIZCTEOSA-N 322.905 4.760 30 20 DJED COc1cccc(/C=C\C(=O)c2cccc(C)c2)c1OC(F)F 212923665 KDQQDTFWSZVMRZ-KTKRTIGZSA-N 318.319 4.501 30 20 DJED N#Cc1cccc(CN[C@H](c2ccc(F)cc2)C2CCCC2)c1 237906626 CCVMGDOFOGKNPW-FQEVSTJZSA-N 308.400 4.718 30 20 DJED CC(C)Oc1cccc(N[C@@H](C)c2ccc(OCC#N)cc2)c1 296621128 WVYXALBSGITWAK-HNNXBMFYSA-N 310.397 4.549 30 20 DJED CCC(C#N)(CC)C(=O)Nc1cccc(OCc2ccccc2)c1 310384771 CDNDWJPXYAXPKF-UHFFFAOYSA-N 322.408 4.534 30 20 DJED CC1CCC(C)(/N=C(/O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 330767787 WZDRYIRCMVTPED-UHFFFAOYSA-N 310.781 4.522 30 20 DJED Cc1cccc2nc(N[C@@H](CCCC#N)c3ccccc3)sc12 431492674 DSQJMNCTYIDIKQ-INIZCTEOSA-N 321.449 5.452 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1oc2ccccc2c1CC 436296058 QWRAMFJYUOMREH-KHYOSLBOSA-N 313.441 4.627 30 20 DJED CC(C)[C@@H](NC(=O)[C@@H](C)C#N)c1ccc(C2CCCCC2)cc1 462029145 HGLYOCCMKUQWOX-HNAYVOBHSA-N 312.457 4.707 30 20 DJED CCc1nc(CSCc2ccc(Cl)cc2C#N)cs1 478916695 FJCNYUSDLLANIX-UHFFFAOYSA-N 308.859 4.664 30 20 DJED Cc1ccc2ncc(C#N)c(N3CCc4sccc4[C@H]3C)c2c1 487919765 WMJZUGQHQUZCRC-CYBMUJFWSA-N 319.433 4.600 30 20 DJED C=CCCN(C)C(=O)c1csc(-c2ccc(Cl)cc2)c1 505105352 OMWRSFWXJMKQHM-UHFFFAOYSA-N 305.830 4.717 30 20 DJED N#Cc1ccc(Oc2ccc(NC(=O)c3ccsc3)cc2)cc1 505558585 DVWHHOJUFFYSTJ-UHFFFAOYSA-N 320.373 4.664 30 20 DJED C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 511689414 WYYLPBQBNXLDHN-SMDDNHRTSA-N 312.240 4.568 30 20 DJED N#CCN[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 538216184 MFELFHBPVSDELT-INIZCTEOSA-N 323.198 4.529 30 20 DJED CC[C@H](C)Oc1cc(C)ccc1CN[C@@H](C)c1ccc(C#N)cc1 539497507 XWWDDKGXJAFGIM-IRXDYDNUSA-N 322.452 4.895 30 20 DJED C[C@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccc(C#N)c(F)c1 539626469 QBVVFPOLYKOHLW-NSHDSACASA-N 321.355 4.889 30 20 DJED N#CCCCCN[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 540523003 AWEVJGNZIKXHJV-LBPRGKRZSA-N 324.268 4.592 30 20 DJED Cc1c(C(=O)N(CC(C)C)C(C)C)sc2ccc(C#N)cc12 549971934 WPBGHIDPHIQNKY-UHFFFAOYSA-N 314.454 4.588 30 20 DJED C=CCC(F)(F)c1nc(CSc2cc(C)ccc2C)no1 559928104 HZRSLDHOTVYTIO-UHFFFAOYSA-N 310.369 4.647 30 20 DJED COc1cc(CN[C@@H](C)c2ccccc2C(C)(C)C)ccc1C#N 567203349 LFTZDILFLZHNMQ-HNNXBMFYSA-N 322.452 4.715 30 20 DJED C=CCCc1ccccc1NC(=O)Cc1cccc(Cl)c1F 582577868 CMOMKQAYEOKBFV-UHFFFAOYSA-N 317.791 4.779 30 20 DJED C=CCOc1ccc(CNCc2ccccc2Cl)cc1Cl 589633828 SOTVXMAJTNSOAM-UHFFFAOYSA-N 322.235 4.848 30 20 DJED CCC[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccsc1 619755724 QPQNHYVNWIXJCC-INIZCTEOSA-N 304.846 4.904 30 20 DJED C=C(CNC(=O)c1cc(F)c(Cl)cc1Cl)c1ccccc1 672481303 OIOALQGVWSOGMJ-UHFFFAOYSA-N 324.182 4.576 30 20 DJED CCC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 733201377 SJGGLMURECLFIX-UHFFFAOYSA-N 309.778 4.536 30 20 DJED COc1cc(/C=C\C(=O)c2cccc(C)c2C)ccc1SC 734305021 FJFAGPNNGRVCPH-NTMALXAHSA-N 312.434 4.930 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C/c3cc4ccccc4o3)c2c1 734306942 JQGQCBRUOPBWCW-VQHVLOKHSA-N 317.344 4.819 30 20 DJED Fc1cccc(F)c1NN=C1CCCOc2c(Cl)cccc21 735615062 KDLPZTDCJRZRLS-UHFFFAOYSA-N 322.742 4.607 30 20 DJED Cc1ccc2cc(C(=O)/C=C/c3csc([N+](=O)[O-])c3)oc2c1 754831045 UZPHONRAZYTINK-HWKANZROSA-N 313.334 4.607 30 20 DJED O=C(/C=C\c1nc(Cl)cs1)c1cc2c(s1)CCCC2 759083799 QPDAHJYHUFQCJS-WAYWQWQTSA-N 309.843 4.633 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccccc2OC2CCCC2)s1 762437106 BXCYRYKNRNFTBD-LUAWRHEFSA-N 323.417 4.837 30 20 DJED CC(C)(C)Oc1ccc(C(=O)/C=C\c2nc(Cl)cs2)cc1 764921240 PFNVZGXFXKVBIA-HJWRWDBZSA-N 321.829 4.870 30 20 DJED CC(C)(C)c1ncc(/C=C/C(=O)c2ccc(O)c(Cl)c2)s1 768753681 ZDDGZWZIOILSMZ-FNORWQNLSA-N 321.829 4.696 30 20 DJED CC[C@@H](Nc1ccc(N2CCCC2)cc1)c1ccc(C#N)cc1 774271814 LUELRXZZIFNIKS-HXUWFJFHSA-N 305.425 4.722 30 20 DJED CC(C)(C)c1ccc(C=NOCc2ncc(Cl)s2)cc1 774714862 MWNHIGWBVJCZHY-UHFFFAOYSA-N 308.834 4.645 30 20 DJED N#Cc1ccc(C(=O)/C=C/C=C/c2ccc(F)cc2)c(Cl)c1 788358804 LGVYIRZAEJKQSF-ZPUQHVIOSA-N 311.743 4.803 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2coc3ccccc23)c(Cl)c1 788360925 PNWGUSWMRCUXQR-SOFGYWHQSA-N 307.736 4.854 30 20 DJED C=CC[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccncc1 795796875 VCOQMCZFRHUONB-NHCUHLMSSA-N 317.436 4.628 30 20 DJED N#Cc1ccc2c(c1)C(=O)/C(=C\c1cc3ccccc3s1)C2 811695234 AYWIRJMIKAXVEL-GDNBJRDFSA-N 301.370 4.595 30 20 DJED Cc1ccc(C(=O)N(C(C)C)[C@H](C)c2ccsc2)cc1C#N 817486014 SVFSQWAMDAPDHS-CQSZACIVSA-N 312.438 4.540 30 20 DJED C#CCC[C@H](C)OC(=O)c1ccc(C2SCCCS2)cc1 839034143 MVTNVHDIGGXFDY-ZDUSSCGKSA-N 320.479 4.514 30 20 DJED C=CCCCCC[C@H](C)N[C@@H](C(=O)O)c1cc(C)cc(C)c1 901532942 YMNIOWYWWGCKPD-FUHWJXTLSA-N 303.446 4.544 30 20 DJED CC(=NNc1nncc2ccccc12)c1oc2ccccc2c1C 915909935 VRQMYNGEXLJSIZ-UHFFFAOYSA-N 316.364 4.521 30 20 DJED CC(C)(CC(=O)NC1(c2cccc(C#N)c2)CC1)C1CCCCC1 1128906217 RFFYXBVGPHLSED-UHFFFAOYSA-N 324.468 4.660 30 20 DJED Cc1ccc(C(=O)Nc2ccccc2OCCC(C)C)cc1C#N 1130428997 RCTFRNSCKLJSEC-UHFFFAOYSA-N 322.408 4.544 30 20 DJED N#Cc1cccc(N[C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)n1 1163489026 QXBVBAZIFQXVJD-GDBMZVCRSA-N 311.816 4.745 30 20 DJED CC(C)c1cccc([C@H](C)NCc2cccc(OCC#N)c2)c1 1261790888 YENFJKHDPQJHLX-INIZCTEOSA-N 308.425 4.563 30 20 DJED Cc1ccccc1[C@@H](NC(=O)c1cccc(C#N)c1C)C(C)(C)C 1265759719 BVFWTCGVHDBZRX-LJQANCHMSA-N 320.436 4.692 30 20 DJED CCOc1ccc(Cl)cc1CNc1cc(C#N)ccc1C 1308431324 RIFFRQXDVFJAOZ-UHFFFAOYSA-N 300.789 4.531 30 20 DJED C=CCC[C@H](NCCc1coc(-c2ccccc2)n1)c1ccco1 1322073690 PIIXPRUTZFROLL-SFHVURJKSA-N 322.408 4.774 30 20 DJED C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(C)(C)C)cc1 1351235170 ZZQPOLMTSPZGRK-HNNXBMFYSA-N 320.436 4.673 30 20 DJED CC[C@H](Cc1ccccc1)Nc1nc(C(C)(C)C)ccc1C#N 1458156084 HBEJHOCFAGRXPG-QGZVFWFLSA-N 307.441 4.684 30 20 DJED Cc1cc(C)cc(C2(C(=O)O[C@@H](C)c3ccc(C#N)cc3)CC2)c1 1524301654 KSDCFEZFINMEST-INIZCTEOSA-N 319.404 4.511 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@H]1CCCCC1(C)C 1529667013 SLLCLZHGLXBTKU-QAPCUYQASA-N 312.457 4.684 30 20 DJED CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(Cl)c(C#N)c1 1537049575 NODGDTZLCPJQKM-SUMWQHHRSA-N 318.848 4.546 30 20 DJED Cc1c(C(=O)O[C@@H](C)c2cccc(C#N)c2)oc2c(F)cccc12 1544187468 FYYGUWGXLJNMCF-LBPRGKRZSA-N 323.323 4.670 30 20 DJED CC(C)CCC[C@@H](C)N(CCC(C)C)C(=O)c1ccc(C#N)[nH]1 1544979613 NYYMCBQFJMSJKF-MRXNPFEDSA-N 317.477 4.589 30 20 DJED N#Cc1ccc(CN2CCCCC[C@H]2c2ccccc2)c(F)c1 1560681854 WMVPHRLPWKKHTQ-FQEVSTJZSA-N 308.400 4.815 30 20 DJED N#C[C@H]1CCC[C@@H](OC(=O)CCCc2ccc3ccccc3c2)C1 1596977224 FRSHPHIAMRTXTA-FXAWDEMLSA-N 321.420 4.788 30 20 DJED C[C@H]1C[C@@H](CCNc2nc(C#N)c(Cl)s2)CC(C)(C)C1 1612324578 BSHVAUYQABDNOM-WDEREUQCSA-N 311.882 4.933 30 20 DJED CC[C@@H](C)[C@H](C)Nc1cc(C)c(C#N)c2nc3ccccc3n12 1642292139 DPTDIPPNUQXYCC-OCCSQVGLSA-N 306.413 4.514 30 20 DJED N#Cc1nc(N[C@H]2CC[C@@H](c3cccc(F)c3)C2)sc1Cl 1642658644 HFKDHYWAQNFZLL-PWSUYJOCSA-N 321.808 4.555 30 20 DJED Cc1c(C#N)c(SC/C=C\c2ccccc2)nc2c1CCC2 1643544991 CJGNLIHETXJQQH-TWGQIWQCSA-N 306.434 4.556 30 20 DJED CCCN(Cc1ccc(C#N)cc1Cl)c1ccccc1F 1643826333 MOUZDKXVNZJXDG-UHFFFAOYSA-N 302.780 4.767 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1CCC(C)(c2ccccc2)CC1 1653806155 YAMNXZGTAHHQMB-KRWDZBQOSA-N 304.437 4.673 30 20 DJED C[C@H](CN[C@@H]1CCc2cc(C#N)ccc21)c1cccc(Cl)c1 1657986946 ISNVRHPGNQQZHA-BFUOFWGJSA-N 310.828 4.592 30 20 DJED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1OCc1ccccc1 1658095603 FHGFFUFBCBZHPE-WDSOQIARSA-N 320.436 4.608 30 20 DJED COc1cc(CN2CCCCC[C@@H]2c2ccc(C)o2)ccc1C#N 1658339562 SMXCQAZCDRKGDI-GOSISDBHSA-N 324.424 4.586 30 20 DJED Cc1csc(NC(=O)N2CCC[C@H](C(C)(C)C)CC2)c1C#N 1661563709 HFKBHXYTHGTHLW-ZDUSSCGKSA-N 319.474 4.608 30 20 DJED CCCCC1CCC(NC(=O)Nc2cc(F)cc(C#N)c2)CC1 1672406983 MHGZGHHAVIQWJI-UHFFFAOYSA-N 317.408 4.568 30 20 DJED CC[C@H](C)c1ccc(/C=C\C(=O)c2cccc(C(=O)O)c2)cc1 1776698213 ILMQJKSTZIRMMK-UQTJOTSZSA-N 308.377 4.794 30 20 DJED CCCCc1ccc(C(=O)/C=C\c2csc(C(=O)O)c2)cc1 1776805880 RZMYEQGEEYXDLQ-YFHOEESVSA-N 314.406 4.685 30 20 DJED COc1ccc(/C=C2\Cc3ccccc3C2=O)cc1OCC(C)C 5128891 QBGFWRGVBQIFRQ-LICLKQGHSA-N 322.404 4.552 30 20 DJED C[C@@H](CC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 25437510 WPIZTWUZZUEZOA-HNNXBMFYSA-N 306.409 4.620 30 20 DJED Cc1cccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1C 66800536 RORUBXDOSSCXDR-AWEZNQCLSA-N 324.449 4.950 30 20 DJED CC(C)(C)c1ccccc1NC(=O)CSc1ccc(C#N)cc1 75465121 RKBBBMGLQBZCGA-UHFFFAOYSA-N 324.449 4.587 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)C[C@@H]1C=CCC1 77687550 SNCUYDJISPLASB-CYBMUJFWSA-N 308.406 4.582 30 20 DJED C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(OC(F)F)cc1 174358031 SPGYFQCHEWBQDW-CHWSQXEVSA-N 316.351 4.571 30 20 DJED CCCc1ccccc1NC(=O)c1cccc(SCC#N)c1 175599750 XSSHCCJEFVOEJH-UHFFFAOYSA-N 310.422 4.507 30 20 DJED CCCOc1ccc(N[C@@H](C)c2ccc(OCC#N)cc2)cc1 194764968 YEHMPPUCFDICKF-HNNXBMFYSA-N 310.397 4.551 30 20 DJED Cc1cc(NCc2ccc(C#N)cc2)cc(C)c1Br 232021784 ODWITFGUARPFST-UHFFFAOYSA-N 315.214 4.550 30 20 DJED CC(C)(C#N)CCNc1cc(F)c(Br)c(Cl)c1 310184037 XYNXHMNRMGFKFJ-UHFFFAOYSA-N 319.605 4.593 30 20 DJED O/C(=N\C1CCC(/C(O)=N\CCC2=CCCCC2)CC1)C1CC1 329986252 DZYMWELSLDNMLF-UHFFFAOYSA-N 318.461 4.759 30 20 DJED Cc1cc(C)c(N/C(O)=N/[C@@H](C)c2ccc(Cl)s2)c(C)n1 331319316 KFVVXUBYEKCAQS-JTQLQIEISA-N 323.849 4.809 30 20 DJED N#Cc1ccc(C2=CCN(CCC3(C#N)CCCCC3)CC2)cc1 411450414 YJVHXPRQTIBYIC-UHFFFAOYSA-N 319.452 4.512 30 20 DJED C[C@@H](CCC(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 441477571 YNYSCQGEBJTUAZ-ZDUSSCGKSA-N 312.800 4.734 30 20 DJED C=C(C)[C@H](NC1CCC(C(F)F)CC1)c1ccc(F)c(F)c1 442847696 QWHWZMVQMUFDIP-TZDAIYRESA-N 315.354 4.996 30 20 DJED CC[C@@H](N[C@H]1CCc2c(Cl)cccc21)c1ccc(C#N)cc1 447525657 AQAANQCBBZJRDM-MOPGFXCFSA-N 310.828 4.940 30 20 DJED C=C(C)COc1cccc(NCc2ncc(-c3ccccc3)[nH]2)c1 447823077 UEOXGIBSLQUXTJ-UHFFFAOYSA-N 319.408 4.644 30 20 DJED CC(C)(CC(=O)N(Cc1ccco1)c1ccccc1C#N)C1CC1 459960130 BLMFLPQZYBSXGX-UHFFFAOYSA-N 322.408 4.511 30 20 DJED Cc1nc(N[C@H]2CCSc3ccccc32)c(Cl)cc1C#N 461720812 BCZZJLMRGSSXGL-AWEZNQCLSA-N 315.829 4.564 30 20 DJED CC(C)Oc1ccc2ccccc2c1CNc1cnccc1C#N 463746879 AEHVTABVWSOFMX-UHFFFAOYSA-N 317.392 4.506 30 20 DJED C=C(C)C[C@@H](C)C(=O)Nc1cc(-c2ccccc2)nn1C(C)C 466860013 VJJFFGUHKZWLOA-OAHLLOKOSA-N 311.429 4.672 30 20 DJED C=CCC(CC=C)C(=O)N(CCC)[C@@H](C)c1ccccc1OC 467817713 QUCVUPHMXVAGJY-INIZCTEOSA-N 315.457 4.763 30 20 DJED C[C@@H](c1cc2ccccc2o1)N(C)Cc1ccc(C#N)c(F)c1 483522646 HEOWZERXKXPPLP-ZDUSSCGKSA-N 308.356 4.637 30 20 DJED Cc1nc(N[C@@H](c2ccccc2)c2ccc(F)cc2)ccc1C#N 488057374 MORWAOUPRQACCP-FQEVSTJZSA-N 317.367 4.602 30 20 DJED C=CC[C@H](C(=O)Nc1cccc(OC(F)F)c1)c1ccccc1 488642159 KZTNQQUJDCGYDQ-INIZCTEOSA-N 317.335 4.586 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccccc1C(F)(F)F 489094482 YMQDYEITAHQBJI-CYBMUJFWSA-N 318.342 4.770 30 20 DJED Cc1ccc(NCc2cc(C#N)ccc2Br)c(C)c1 492334386 OARDRVVYFTWKIJ-UHFFFAOYSA-N 315.214 4.550 30 20 DJED C[C@@H](CC1CCCCC1)C(=O)N[C@@H](C#N)c1ccccc1Cl 510277718 VKTYCJURPFKBHV-GUYCJALGSA-N 318.848 4.627 30 20 DJED N#Cc1c(Cl)cccc1N[C@H]1CCSc2c(F)cccc21 515208946 CMDZVAVPFUGVKD-HNNXBMFYSA-N 318.804 5.000 30 20 DJED C=C(C)COc1cccc(NCc2c[nH]nc2-c2ccccc2)c1 533209245 FNNHOYCLXNTKPT-UHFFFAOYSA-N 319.408 4.644 30 20 DJED CN(CCC#N)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 552213719 CKOMOQVDKLVVHD-UHFFFAOYSA-N 319.235 4.928 30 20 DJED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C3CCC3)c2C#N)C1 602288111 KQNUNRSTTVMEFQ-GFCCVEGCSA-N 316.470 4.509 30 20 DJED CCCCc1nc(CSCc2cc(C#N)ccc2F)cs1 609237169 JGOARUBONLHCQZ-UHFFFAOYSA-N 320.458 4.930 30 20 DJED Cc1ccccc1OCCCSc1ccc(C#N)cc1F 610164621 IDNRPTDDKQGGLK-UHFFFAOYSA-N 301.386 4.567 30 20 DJED C[C@H](NCc1ccc(OC(C)(C)C)cc1)c1ccc(C#N)cc1 610341399 IQULJXZAJQFDKS-HNNXBMFYSA-N 308.425 4.586 30 20 DJED CCC(C)(CC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 613396782 HHWDVWGYBHTJGT-UHFFFAOYSA-N 323.396 4.510 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@H](c2ccc(F)cc2)c2cccs2)C1 618562232 XLFVUUPXDLBPBJ-RPVQJOFSSA-N 314.429 4.649 30 20 DJED O=C1/C(=C\c2cc(C(F)(F)F)ccc2F)Cc2c(F)cccc21 733206197 CUSDOGGPPHBOJR-POHAHGRESA-N 324.248 4.806 30 20 DJED CCCCC[C@H](NC(=O)Nc1ccc(CC#N)cc1)C(C)(C)C 734642865 RMVLGLBAYJXZJD-KRWDZBQOSA-N 315.461 4.869 30 20 DJED COc1ccc(/C=C/C(=O)c2cccc(Cl)c2Cl)cc1 734980966 NJZCAELWXVNRGF-JXMROGBWSA-N 307.176 4.898 30 20 DJED CCn1c(C(C)=NNc2cc(C)ccc2C)nc2ccccc21 741458063 XJRBILOIKWWWTC-UHFFFAOYSA-N 306.413 4.509 30 20 DJED O=C(/C=C\c1ccc(Cl)cc1Cl)c1ccc2c(c1)COC2 742435837 AUVAUHLDMWGIJE-XQRVVYSFSA-N 319.187 4.920 30 20 DJED C/C(=C\C(=O)Nc1ccccc1SCCC#N)C(C)(C)C 742649585 PKRQVSFFNDGGRJ-OUKQBFOZSA-N 302.443 4.623 30 20 DJED COc1ccc(C(C)=NNc2cccc3ccccc23)cc1OC 747060201 LFLDUZCCTGQITI-UHFFFAOYSA-N 320.392 4.693 30 20 DJED CCOC(=O)Nc1ccc(N[C@H](CC)c2ccccc2)cc1C#N 752796553 LQDINQFNUGCUCD-QGZVFWFLSA-N 323.396 4.690 30 20 DJED C=CCN(Cc1cccs1)Cc1nc(Cl)ccc1Cl 766109100 PCXODRWOQCBYEU-UHFFFAOYSA-N 313.253 4.638 30 20 DJED C#CCCOc1ccc(CNc2cccc(CSC)c2)cc1 770564924 VFZMWBZLGNUCBZ-UHFFFAOYSA-N 311.450 4.564 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccc(C(F)F)cc2)cc1[N+](=O)[O-] 794932076 SYUMSDPMUGENCK-WEVVVXLNSA-N 317.291 4.737 30 20 DJED Cc1nn(C(C)C)cc1C=NNc1ccc(Cl)c(Cl)c1 799109168 XPJVFMZJWFEIQQ-UHFFFAOYSA-N 311.216 4.525 30 20 DJED CC[C@H](N[C@H](C)c1cccc(C#N)c1)c1cccc(Cl)c1O 806141057 FLBSHPDJXCKEJK-PXAZEXFGSA-N 314.816 4.719 30 20 DJED CCN(Cc1cc2cc(Cl)ccc2nc1Cl)C[C@@H](C)C#N 846790403 SSVOUUDZHWVPTJ-NSHDSACASA-N 322.239 4.523 30 20 DJED N#CC1(CC(=O)Nc2ccccc2SC(F)F)CCCCC1 854322679 GXEWPNDSQFGIHW-UHFFFAOYSA-N 324.396 4.804 30 20 DJED Cc1ccccc1C(=O)/C=C\c1csc(Br)c1 913617885 YGQYHJJOFHGMBH-SREVYHEPSA-N 307.212 4.715 30 20 DJED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 915087625 VYLFDNYBWGDEJW-FQEVSTJZSA-N 318.420 4.861 30 20 DJED O=C1/C(=C/c2ccc(OC(F)F)cc2)CSc2ccccc21 916154915 XTUKCRUBFYAJMY-FMIVXFBMSA-N 318.344 4.660 30 20 DJED Cc1ccc2c(c1)C/C(=C\c1ccc(Br)cc1)C2=O 921264641 WQKCVFUUISIRNS-NTEUORMPSA-N 313.194 4.580 30 20 DJED CC(C)c1ccc([C@H](NCCCCC#N)c2cccnc2)cc1 924942862 QHEZWMCSRCLSTF-FQEVSTJZSA-N 307.441 4.578 30 20 DJED CC(C)c1ccc([C@H](C)CC(=O)[C@H](C#N)c2cccc(F)n2)cc1 1122632461 VSWFRNRMFRMSMC-RHSMWYFYSA-N 324.399 4.714 30 20 DJED C[C@@H]1c2c(sc(NC(=O)CC3CCCC3)c2C#N)CC[C@H]1C 1129356348 QRDPBVMPPSCTGO-NEPJUHHUSA-N 316.470 4.824 30 20 DJED CCc1cc(Br)ccc1NC1CCC(C)(C#N)CC1 1205394794 ZCWBURJVZIXIFI-UHFFFAOYSA-N 321.262 4.896 30 20 DJED Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)c1cc(C#N)oc1C 1272320467 PLBANGGXKJINHI-OAHLLOKOSA-N 324.424 4.628 30 20 DJED CCC(C#N)(CC)C(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 1435443591 NRFUJKILOIWVOI-ZIAGYGMSSA-N 320.864 4.620 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)N1CCCC(C)(C)[C@@H]1C#N 1436162328 XWCWMGWHQJATJW-IRXDYDNUSA-N 304.478 4.524 30 20 DJED Cc1ccccc1[C@H](Nc1ccc(C#N)nn1)[C@@H]1CCC[C@H](C)C1 1458167985 AAGHHZHFZMGRDZ-YYFZDKIDSA-N 320.440 4.636 30 20 DJED Cc1nsc(NCC(C)(C)c2cccc(Cl)c2F)c1C#N 1458341415 ZBSDXTYCCMVPNJ-UHFFFAOYSA-N 323.824 4.505 30 20 DJED CCc1cc(Nc2c(Br)cccc2C#N)ccc1F 1458363882 QFAYUADWROPJHR-UHFFFAOYSA-N 319.177 4.766 30 20 DJED Cc1cc(C#N)ccc1CN1[C@H](C)Cc2cc(F)ccc2[C@H]1C 1459773001 FEOHQSGJRITZHN-HUUCEWRRSA-N 308.400 4.514 30 20 DJED CC(C)(CC#N)CN[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 1462324856 CFPRAVHJDQULHH-JKSUJKDBSA-N 324.390 4.871 30 20 DJED CCCN(c1cccc(C#N)n1)[C@H](C)c1cc2ccccc2o1 1472670041 OVVXBGFCNLEAIP-CQSZACIVSA-N 305.381 4.677 30 20 DJED Cc1cccc2oc(C(=O)N(C)c3cc(Cl)ccc3C#N)cc12 1516249256 BFTXYRPDVWOQDJ-UHFFFAOYSA-N 324.767 4.543 30 20 DJED C[C@H](OC(=O)[C@@]1(c2ccccc2)CC1(C)C)c1ccc(C#N)cc1 1524301386 HAXVLPLFWOKCDB-BTYIYWSLSA-N 319.404 4.530 30 20 DJED N#Cc1cc(NC(=O)CCCC2CC2)ccc1Oc1ccccc1 1529906372 AXSYKRGGSNGEPV-UHFFFAOYSA-N 320.392 4.869 30 20 DJED N#C[C@H](c1ccccc1)N1CCC2(CCc3ccccc3C2)CC1 1619652079 MZVXPCSPXWPHBX-OAQYLSRUSA-N 316.448 4.522 30 20 DJED CCC1(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)CCCCC1 1626947824 CBUNMEKKVZDKPD-UHFFFAOYSA-N 324.468 4.625 30 20 DJED C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1ccc(C#N)cc1Cl 1644756147 LNLNLRNGSSZRKC-KDOFPFPSSA-N 310.828 4.590 30 20 DJED C=C(Cl)CN(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 1644858148 GVAUJPLZRTWJJE-UHFFFAOYSA-N 314.791 4.765 30 20 DJED CC[C@@H](CN(CC)CCc1ccc(C#N)cc1)c1ccccc1 1645350861 BKYHCXLIAZJDOU-FQEVSTJZSA-N 306.453 4.616 30 20 DJED Cc1ccc(Cl)c2c1N(Cc1ccc(F)cc1C#N)CCC2 1646057904 CHWDKTXQDOKUAP-UHFFFAOYSA-N 314.791 4.612 30 20 DJED CC(C)(C)c1ccc(C#N)c(N[C@H]2C[C@H](c3ccccc3)C2)n1 1651803965 KQGYTFHLQUBFOI-QAQDUYKDSA-N 305.425 4.609 30 20 DJED C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 1652358457 HWVPAAJPRSAAPV-RYUDHWBXSA-N 314.351 4.564 30 20 DJED CCc1ccc([C@H]2C[C@H](C)CCN2Cc2cccc(C#N)c2)o1 1653465820 NCKHXBZRUFERDG-DNVCBOLYSA-N 308.425 4.687 30 20 DJED CC(C)(C)CN(CC(C)(C)C)C(=O)Nc1cc(C#N)ccc1F 1662505332 XOWBNMHVDVLVQH-UHFFFAOYSA-N 319.424 4.623 30 20 DJED CCCCCC1=C(C)CCC1=NNc1ccc(CC(=O)O)cc1 1776083552 MVONBRZKRRIHML-UHFFFAOYSA-N 314.429 4.772 30 20 DJED CCC[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 15567187 RYWJBBBMFGLWMQ-INIZCTEOSA-N 312.800 4.734 30 20 DJED C=CCn1c(SCc2ccccc2)nnc1-c1ccccc1C 35523711 GVUWGMRDBWXEOL-UHFFFAOYSA-N 321.449 4.732 30 20 DJED N#Cc1ccc(NCc2ccc(Br)cc2)cc1Cl 37393377 LSYMVLHNUMTAEQ-UHFFFAOYSA-N 321.605 4.586 30 20 DJED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc2ccccc2n1 90665123 GGRCZSUZCYJMEX-JXFKEZNVSA-N 315.420 4.930 30 20 DJED CCCOc1ccc(Cl)cc1NCc1cc(C#N)cs1 93687335 MHBJKBYYIQHEGO-UHFFFAOYSA-N 306.818 4.674 30 20 DJED C[C@H](SCc1nc(-c2ccccc2)no1)c1ccc(C#N)cc1 118443929 CFMBTTBNEVLDHU-ZDUSSCGKSA-N 321.405 4.603 30 20 DJED C=CCC[C@@H](NC(=O)N(CC)Cc1ccoc1)c1ccccc1 160508727 QJDWEKSNONXIDG-GOSISDBHSA-N 312.413 4.519 30 20 DJED C[C@H](NCc1ccc(C#N)cc1Cl)c1ccccc1Cl 162662300 QFOMXKXPYWGKPB-NSHDSACASA-N 305.208 4.716 30 20 DJED C[C@H](CCC#N)Sc1nnc(-c2cccc3ccccc23)o1 188317487 NEBJVOCGKPKEPO-GFCCVEGCSA-N 309.394 4.674 30 20 DJED C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(C(F)(F)F)cc1 192149546 IKXQYUKRPMBFDL-LLVKDONJSA-N 322.305 4.567 30 20 DJED C[C@H]1CC[C@@H](CC(O)=Nc2csc(-c3ccncc3)n2)C1 328742467 JMKBXJRCWWFWGS-NWDGAFQWSA-N 301.415 4.619 30 20 DJED CCN(Cc1cccc(-c2ccncc2)c1)CC(C)(C)CCC#N 349318267 RHVLXYDCDQVIDL-UHFFFAOYSA-N 321.468 4.900 30 20 DJED CC(C)(CCC#N)CNc1ncnc2oc(-c3ccccc3)cc12 352205453 FZSSXPCQXOGJOK-UHFFFAOYSA-N 320.396 4.632 30 20 DJED N#Cc1c(F)cccc1CSCc1cc(-c2ccccc2)no1 427819265 RNUZOZNWAPODBL-UHFFFAOYSA-N 324.380 4.786 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1cccc(-c2nc(C)cs2)c1 439516656 BLTPFKNZTBANTG-AWEZNQCLSA-N 315.442 4.595 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2c(C)cccc2C)CCCC1(C)C 444817787 ODBXQWGOKODULH-INIZCTEOSA-N 300.446 4.902 30 20 DJED C=CCOc1ccc(Oc2ncnc3sc(CC)cc23)cc1 462943613 DNGSOQHHJSHMHE-UHFFFAOYSA-N 312.394 4.611 30 20 DJED C=CCN(C(=O)[C@@H](C)CC(C)(C)C)c1nc2c(s1)CCCC2 476676462 WNVDAOPEUFUBDF-ZDUSSCGKSA-N 320.502 4.613 30 20 DJED C=CCOc1cccc(NC(=O)c2scc(C)c2Cl)c1 479634694 AAVUXRITYNHYEP-UHFFFAOYSA-N 307.802 4.527 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)c1 480588636 KCEIVAMEUSOOBS-QFBILLFUSA-N 322.383 4.648 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1ccc(-c2cnco2)cc1 482830002 WRUBYRGPCPEMRA-UHFFFAOYSA-N 324.424 4.550 30 20 DJED CC(C)c1ccc(C(=O)[C@H](C#N)c2nccc3ccccc23)s1 483244783 OPUDNMMCIIQMRB-OAHLLOKOSA-N 320.417 4.910 30 20 DJED C=C(C)[C@H](NC(=O)N(C)C1CCCCC1)c1ccc(F)c(F)c1 483304678 JYKQIHLBJNJVPF-KRWDZBQOSA-N 322.399 4.556 30 20 DJED N#Cc1ccc(C2=CCN(Cc3ccc(Cl)s3)CC2)cc1 502533038 YOGFUMNUCCLDEF-UHFFFAOYSA-N 314.841 4.562 30 20 DJED CCSc1ccc([C@H](C)Nc2cccc(F)c2C#N)cc1 505607647 HVCUMLWIXFOIOT-LBPRGKRZSA-N 300.402 4.982 30 20 DJED N#Cc1ccc(F)cc1CSCCCCC1CCOCC1 512378158 NHSMDLVXQYPFJG-UHFFFAOYSA-N 307.434 4.527 30 20 DJED COc1ccc(F)cc1[C@H](C)Nc1ccc(C#N)c(Cl)c1 518906097 WCAMANLFVXQQAL-JTQLQIEISA-N 304.752 4.532 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCC(C)(C)C1 541935958 LBTHMMXKDJRCTP-UONOGXRCSA-N 316.470 4.846 30 20 DJED N#CCC1CCN(C(=O)CC2CCC(c3ccccc3)CC2)CC1 543835090 YQTYECWETSZDMG-UHFFFAOYSA-N 324.468 4.503 30 20 DJED CC[C@@H](CC(F)(F)F)Nc1ccc(C(F)(F)F)cc1C#N 545474050 SCCLOLFUHAUBHQ-JTQLQIEISA-N 310.241 4.720 30 20 DJED C[C@@H](Nc1cc(C#N)ccn1)c1ccc(Cl)c2ccccc12 557634318 ZKMJCKKOESJPGJ-GFCCVEGCSA-N 307.784 4.933 30 20 DJED C=CCC[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccco1 586794263 FRFJFITVTNLHHH-MRXNPFEDSA-N 300.789 4.602 30 20 DJED CSc1ccc(Cl)c(NCCCC2(C#N)CCOCC2)c1 594715971 LKYCJEGSIAWLEJ-UHFFFAOYSA-N 324.877 4.574 30 20 DJED CN(CCCC1(C#N)CCOCC1)C1CC(C)(C)CC(C)(C)C1 595703727 HCVURVICQWAAIB-UHFFFAOYSA-N 320.521 4.624 30 20 DJED C[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)CC[C@H]1c1ccccc1 610216150 QAAZOUZLHNKSNN-CBGDNZLLSA-N 304.437 4.745 30 20 DJED CCC[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(OC)cc1 618805962 LIQTVRXZMAGRAG-RTWAWAEBSA-N 320.436 4.685 30 20 DJED CCC(=NNc1ncnc2sccc12)c1ccc(Cl)cc1 725818428 LDYLBIINSDMNQC-UHFFFAOYSA-N 316.817 4.571 30 20 DJED C=CCCC(=O)OCc1cnc(-c2ccc(C(C)C)cc2)s1 726652133 KINBYHHUZMWMCZ-UHFFFAOYSA-N 315.438 4.943 30 20 DJED O=C(/C=C/c1cnc(-c2ccccc2)s1)c1ccc(F)cc1 727263858 HQWLLGLFDZOFDM-ZHACJKMWSA-N 309.365 4.845 30 20 DJED C=CCN(C(=O)N[C@@H](CCCCC)c1ccccc1)C(C)C 728133280 CFKOYBNOIVMOMK-SFHVURJKSA-N 302.462 4.914 30 20 DJED C#Cc1cccc(N(C(=S)N[C@H](C)c2ccccc2)C(C)C)c1 728226817 JZXRIKBJAFURMC-MRXNPFEDSA-N 322.477 4.518 30 20 DJED Cc1cc(O)c(CN(CCC#N)CCC(C)C)cc1C(C)C 728901650 PKCXEHAYWOWKBN-UHFFFAOYSA-N 302.462 4.586 30 20 DJED Cc1cccc(C=NNc2ccc(OCC(F)(F)F)cc2)c1C 731153499 PBHNFUQQDAOMEH-UHFFFAOYSA-N 322.330 4.691 30 20 DJED C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H](C)CCC)c1 733103530 GGRVHVMGLFFTNF-OAHLLOKOSA-N 311.450 4.699 30 20 DJED COc1cccc(C(=O)/C=C\c2cc(C(F)(F)F)ccc2F)c1 733205472 WZYSLQPNPXXVAL-YVMONPNESA-N 324.273 4.749 30 20 DJED CCCCCCCC(=O)N[C@@H](C)c1nc2ccccc2s1 734115404 GTRJFKZKZUBLEQ-ZDUSSCGKSA-N 304.459 4.834 30 20 DJED CCCOc1ccc(C(C)=NNc2c(F)cccc2F)cc1 735615600 UQQFXRCYWVBSSU-UHFFFAOYSA-N 304.340 4.590 30 20 DJED CC(=NNc1oc(CC(C)C)nc1C#N)c1cc(C)c(C)cc1C 745613581 JSWRCAYBBILANJ-UHFFFAOYSA-N 324.428 4.506 30 20 DJED Cc1cc(/C=C2\Cc3ccccc3C2=O)ccc1Br 746394242 OYLRCGVSQMSACH-NTEUORMPSA-N 313.194 4.580 30 20 DJED O=C1/C(=C/c2cccc(-c3ccccn3)c2)Cc2ccc(F)cc21 747693032 KUGNPYAAIVGUNQ-GZTJUZNOSA-N 315.347 4.710 30 20 DJED Cc1cc2cc(C(=O)/C=C/c3cc(C#N)cs3)oc2cc1C 749132304 LUYIXNJAWAKIPM-ONEGZZNKSA-N 307.374 4.879 30 20 DJED CCCCCCCCCCC(=O)N1CCC([C@@H]2CCOC2)CC1 752998421 BLZNJKPWKJWCHF-LJQANCHMSA-N 323.521 4.792 30 20 DJED C#CCOc1ccc([C@H](C)N[C@H](C)c2cccc(OCC)c2)cc1 765455565 DKFXDFOSBNDATL-DLBZAZTESA-N 323.436 4.509 30 20 DJED C=CC[C@@H](N[C@H](C)c1ccc(OC)c(Cl)c1)c1ccncc1 766020610 QQFNGKYRGYJCBV-CXAGYDPISA-N 316.832 4.712 30 20 DJED COc1cccc2cc(C(=O)/C=C/c3ccc(C#N)c(C)c3)oc12 766490698 KEDZZSMZYYJDRR-VQHVLOKHSA-N 317.344 4.518 30 20 DJED CC(C)(C#N)CCCCOC(=O)c1cc2ccc(Cl)cc2[nH]1 768564628 VAFWDTHBNHBZPT-UHFFFAOYSA-N 318.804 4.698 30 20 DJED C=CCC[C@H](NC(=O)c1sc(Cl)nc1C)c1ccccc1 772244681 MILYSOLFVGAOKH-ZDUSSCGKSA-N 320.845 4.542 30 20 DJED CC(C)[C@H](Cc1ccccc1)N[C@@H](C)c1ccc(OCC#N)cc1 779030288 QNUPQQRVXXUBPM-UWJYYQICSA-N 322.452 4.507 30 20 DJED C[C@H](C#N)Oc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1 784666172 UDUFUESOECTKFA-LLVKDONJSA-N 321.207 4.896 30 20 DJED N#C[C@@H]1CC[C@H](Sc2nc(-c3ccc(F)cc3)cs2)C1 788096732 GRQMFQIXGJOHTF-MFKMUULPSA-N 304.415 4.734 30 20 DJED O=C1/C(=C/c2cnc(-c3ccco3)s2)CCc2sccc21 789141278 CGKAJXGQJAZATF-CSKARUKUSA-N 313.403 4.677 30 20 DJED CC(C)(CCC#N)COC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 798878322 ROVFJTMOLPKTAC-RTBURBONSA-N 321.420 4.816 30 20 DJED C[C@H](NC(=O)CCCCCC#N)c1csc2ccccc12 805179998 ZCJCIJRGMRXLEA-ZDUSSCGKSA-N 300.427 4.553 30 20 DJED COc1ccc(C(=O)/C=C\c2cscc2C(F)(F)F)cc1 811684939 FLTZEMXRMBFGIA-DAXSKMNVSA-N 312.312 4.672 30 20 DJED CC(=NNc1ccc(F)c(F)c1F)c1nc2ccccc2s1 814945242 SDGMAHSZFADZEW-UHFFFAOYSA-N 321.327 4.550 30 20 DJED CCc1ccccc1NC(=S)N(C)[C@H](C)c1cccc(C#N)c1 819028270 GSUZWIAMMSFSID-CQSZACIVSA-N 323.465 4.510 30 20 DJED CC(C)c1ccc(NN=Cc2cnc([C@H]3CCCO3)s2)cc1 835018532 POWQZXNQROEADF-MRXNPFEDSA-N 315.442 4.564 30 20 DJED CCCCCCCCCC(=O)N1CCC[C@@H]1c1cccn1C 889736336 BLOPBWCEVLSUAG-GOSISDBHSA-N 304.478 4.829 30 20 DJED N#CC1(CCCC[S@@](=O)Cc2cc3ccccc3o2)CCC1 899397297 MKKZXGVAYJTPRR-JOCHJYFZSA-N 315.438 4.546 30 20 DJED CC(=NNc1ncccc1Cl)c1cccc(C(F)(F)F)c1 917549627 XDAJHILJLWYHJW-UHFFFAOYSA-N 313.710 4.590 30 20 DJED CCC/C=C/C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 920457182 NBQFIBUXAMGEAV-GSXXRBPTSA-N 304.393 4.637 30 20 DJED CC[C@H](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 1124283230 OYSKTPRCXOSPND-RYUDHWBXSA-N 304.459 4.509 30 20 DJED Cc1nc(N[C@@H](C)c2cc(Cl)ccc2Cl)ccc1C#N 1186194474 BMOJDEDVRRUODA-JTQLQIEISA-N 306.196 4.742 30 20 DJED N#Cc1ccc(Nc2cccc(-c3ccc(F)c(F)c3)c2)nc1 1186450557 AQVOEXMNIOPNEJ-UHFFFAOYSA-N 307.303 4.642 30 20 DJED CCc1c(Nc2nc(C#N)c(Cl)s2)cnn1C(CC)CC 1307113049 JFSSZDBNJSVSLJ-UHFFFAOYSA-N 323.853 4.532 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2CCC[C@H](c3ccccc3)C2)n1 1307124972 IGUHTRMUCNYRBB-SFHVURJKSA-N 319.452 4.635 30 20 DJED Cc1cc(Sc2ccc3c4c(cccc24)CC3)ncc1C#N 1307192391 VPMWQMFSHHOGQE-UHFFFAOYSA-N 302.402 4.665 30 20 DJED CCC[C@H](c1ccccc1)c1nnc(-c2ccc(C#N)cc2)o1 1322325238 LMKLDVGYBBHKQL-QGZVFWFLSA-N 303.365 4.540 30 20 DJED C=C(Br)CN(C1CC1)[C@@H](C)c1ccccc1Cl 1459459818 XMRLQLBYKWNMPF-NSHDSACASA-N 314.654 4.774 30 20 DJED CC(C)(CNc1ncc(C#N)cc1F)c1ccc2ccccc2c1 1472846673 GWJZNOHECNCZSB-UHFFFAOYSA-N 319.383 4.635 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CC(C1CCC1)C1CCC1 1526210370 WMVDUWOEGRJCLZ-HNNXBMFYSA-N 324.468 4.684 30 20 DJED C[C@@H](NC(=O)CC(C)(C)C1CCCCC1)c1ccc(C#N)cc1 1532979347 QDNTVRCAVCXDEP-OAHLLOKOSA-N 312.457 4.732 30 20 DJED Cc1nnc(N[C@@H]2CCCc3ccc(C(C)C)cc32)c(C#N)c1C 1559157682 SJGDXIDKQZWWLC-LJQANCHMSA-N 320.440 4.578 30 20 DJED Cc1ccc(C#N)c(N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)n1 1559212832 XBYDTAWBXSHRQK-PBHICJAKSA-N 311.816 4.663 30 20 DJED Cc1ccc(C[C@@H]2CCCN([C@H](C)c3cccc(C#N)c3)C2)cc1 1559511133 FMECDNCTDBRMMB-NQIIRXRSSA-N 318.464 4.882 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)C[C@H](C)c1ccccc1 1560679505 PWHLNIFWWRPZCA-SFHVURJKSA-N 306.453 4.820 30 20 DJED Cc1cc(C)c(C#N)c(SCC[C@H]2CCc3ccccc32)n1 1613190080 ISCOEYAHVSHYLR-MRXNPFEDSA-N 308.450 4.782 30 20 DJED Cc1ccc2sc(SCCc3ccc(C#N)cc3)nc2c1 1614980613 BYLBDGKQSPPAKJ-UHFFFAOYSA-N 310.447 4.811 30 20 DJED Cc1cc(CN[C@H](CC2CCC2)c2ccccc2)ccc1C#N 1620882956 KMGAQDOKHABIGA-OAQYLSRUSA-N 304.437 4.888 30 20 DJED CC(C)CC1(CNc2c(C#N)cnc3c(Cl)cccc23)CC1 1639634363 CQXQKEZGDQYKOM-UHFFFAOYSA-N 313.832 4.998 30 20 DJED N#Cc1cccc(CN2CC3(CCCC3)[C@@H]2c2ccccc2)c1 1643333091 XJMDBIDYSIBJSK-FQEVSTJZSA-N 302.421 4.676 30 20 DJED Cc1ccc(C#N)c(NCc2cccc(Oc3ccccc3)c2)n1 1650629764 QVEGUAFWVMTGJE-UHFFFAOYSA-N 315.376 4.666 30 20 DJED CC1(C)c2ccccc2CCN1Cc1ccc(Cl)cc1C#N 1653978598 UPJGUGCLLBANAC-UHFFFAOYSA-N 310.828 4.505 30 20 DJED C[C@@H]1C[C@@H](CCNc2ncc(C#N)cc2Cl)CC(C)(C)C1 1655434261 LRMPLPLMDYNXPO-CHWSQXEVSA-N 305.853 4.871 30 20 DJED C=C(Br)CN[C@H]1CCCC[C@H](c2ccccc2)C1 1655563411 JRDZGKQDKNEBPB-HOTGVXAUSA-N 308.263 4.601 30 20 DJED CCC(CC)(CNCc1ccc(C#N)cc1F)c1ccccc1 1655732201 ZJPYDZHRQQYKFN-UHFFFAOYSA-N 310.416 4.545 30 20 DJED C=CCCC1(C(=O)O)CCN([C@@H](C)c2ccc(Cl)cc2)CC1 1776167922 CPECTTAQWKZQBE-AWEZNQCLSA-N 321.848 4.534 30 20 DJED CC(C)[C@@H]1/C(=C\c2cccc(C(=O)O)c2F)C(=O)c2ccccc21 1776308763 MQCQNLORWNTWBH-KGZWWPETSA-N 324.351 4.543 30 20 DJED N#Cc1ccc(CSCc2coc(-c3cccc(F)c3)n2)cc1 56244788 UTFVMKWWNRDREV-UHFFFAOYSA-N 324.380 4.786 30 20 DJED Cc1ccc(-c2nc(C)c(C(=O)/C=C/c3cccnc3)s2)cc1 67735213 YMMGJUMILDTVDE-JXMROGBWSA-N 320.417 4.718 30 20 DJED Cc1cscc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 176562109 HRUYIPQBJXTMHT-NSHDSACASA-N 316.451 4.561 30 20 DJED C=C(C)[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(F)c(F)c1 186446868 CCOVTDILZGZXRV-DJJJIMSYSA-N 312.363 4.804 30 20 DJED Cc1ccc(-c2ccc(CNCc3cccc(C#N)c3)s2)cc1 237723287 IHQKODUNXIZZCK-UHFFFAOYSA-N 318.445 4.885 30 20 DJED Cc1ncsc1/C=C\C(=O)c1cc(Cl)sc1Cl 255014138 TYESGRHEZRRWBQ-IHWYPQMZSA-N 304.223 4.716 30 20 DJED Cc1cc(SC(C)(C)C)ccc1NC(=O)N(C)C[C@H](C)C#N 264124555 VQGXQQNLRBEEIG-GFCCVEGCSA-N 319.474 4.509 30 20 DJED CC(C)C(C)(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 275810671 MFHWNVGMKNEVBD-ZDUSSCGKSA-N 304.459 4.559 30 20 DJED Cc1cc(N[C@@H](C)c2cccc(C#N)c2)c2cccc(F)c2n1 301654348 HJEDXJIHQPFPRI-ZDUSSCGKSA-N 305.356 4.727 30 20 DJED N#Cc1cccc(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)c1 303417550 XDOMYFKLAFVIBW-NRFANRHFSA-N 315.420 4.767 30 20 DJED C[C@@H](NC1CC(c2ccccc2Cl)C1)c1ccc(C#N)cc1 315392438 FQWYFKNXJYXACT-NVPAJSRCSA-N 310.828 4.808 30 20 DJED C[C@@H]1CCC[C@H](CC/N=C(/O)c2csc([C@H]3CCCO3)n2)C1 328755660 FJOLSSFIJCKIHL-UMVBOHGHSA-N 322.474 4.516 30 20 DJED COc1cnccc1[C@H](C)/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 329094089 KJNKCBDHONHLSA-NXNVCVFFSA-N 316.445 4.714 30 20 DJED C=CC[C@H](CC)NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 410124813 XWDCQGCDLYUODF-KKUMJFAQSA-N 312.240 4.568 30 20 DJED CC[C@@H](Nc1ncc(C#N)cc1Cl)c1ccc(Cl)s1 426901796 XFLBNCQJVGLXNX-SNVBAGLBSA-N 312.225 4.885 30 20 DJED C=CCC[C@H](NC(=O)N1CCC[C@@H]2CCC[C@@H]21)c1ccccc1 435096570 XHPFVIRMOXDRCA-FHWLQOOXSA-N 312.457 4.668 30 20 DJED N#Cc1ccc(SCc2ccc(C#N)cc2Cl)c(F)c1 438887727 RRMZYBHGCBRTCW-UHFFFAOYSA-N 302.761 4.515 30 20 DJED N#C[C@@H]1CC[C@H](N[C@@H](c2ccccc2)c2cc3ccccc3o2)C1 442761891 DGIVNDGQCKDZRT-YWMUFLPLSA-N 316.404 4.804 30 20 DJED CC1(C#N)CCC(NCCCCOc2ccc(Cl)cc2)CC1 449096800 ASZHTFYRHKAPKF-UHFFFAOYSA-N 320.864 4.561 30 20 DJED C=CCC1(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)CCCCC1 450922996 BQNGOTZHOGPQAT-HNNXBMFYSA-N 323.436 4.620 30 20 DJED C=C[C@@H](C)NC(=O)Nc1ccc(O[C@@H](C)c2ccccc2)cc1C 465249538 ABDZRGBUEWXZTI-CVEARBPZSA-N 324.424 4.831 30 20 DJED C=C[C@@](C)(CCOC)C(=O)Nc1cccc(-c2cccs2)c1 467804424 XOKKQHBATJUHRA-SFHVURJKSA-N 315.438 4.582 30 20 DJED CCN(CCCC(C)(C)C#N)Cc1cccc(Br)c1 472447363 LBHJINGIWGTWBI-UHFFFAOYSA-N 323.278 4.601 30 20 DJED CC(C)c1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1 474091370 WOHYGYGIJOAYFR-SFHVURJKSA-N 306.409 4.836 30 20 DJED C[C@@H](Nc1cc(F)ccc1OCC1CC1)c1ccc(C#N)cc1 477922532 KVUCAYAGHOPJQN-CYBMUJFWSA-N 310.372 4.659 30 20 DJED C=CCSc1ccccc1C(=O)Nc1ccc(C)c(F)c1 485468445 SXUTYOZXBCYJPH-UHFFFAOYSA-N 301.386 4.665 30 20 DJED CC(C)(C#N)CCCN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 485860048 BSJGEAPEHXJAMJ-ZCNNSNEGSA-N 310.485 4.975 30 20 DJED C=CCCC(=O)N[C@@H](CCC)c1ccc(Cl)c(Cl)c1 523287454 IHMBMYVRVHQHIT-AWEZNQCLSA-N 300.229 4.917 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)[C@H](C)CC 523473588 CPNBETYFNNNCHP-VXGBXAGGSA-N 314.882 4.534 30 20 DJED C=CCN[C@@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 532048074 OMZAXBCPXLZPGK-KRWDZBQOSA-N 305.393 4.552 30 20 DJED C=C[C@@H](CC(=O)N(C)c1ccccc1SC)c1ccccc1 536297518 KBJPCNCEOGOJMQ-HNNXBMFYSA-N 311.450 4.731 30 20 DJED N#CCN[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 538216185 MFELFHBPVSDELT-MRXNPFEDSA-N 323.198 4.529 30 20 DJED C=CCCOCCCCC(=O)N1c2ccccc2CC[C@@H]1CC 538416308 ZQYWIDIHKXRPBX-SFHVURJKSA-N 315.457 4.507 30 20 DJED CN(Cc1ccccc1C(C)(C)C#N)c1cccc2cccnc12 559759302 POHVXDLRFXOWSE-UHFFFAOYSA-N 315.420 4.672 30 20 DJED CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCCCC#N 588330077 MAKVDMPPAUFDIQ-RBUKOAKNSA-N 312.457 4.645 30 20 DJED C[C@H](NC[C@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(C#N)cc1 610503671 IAYMASNXDRRKDB-MAZHCROVSA-N 310.363 4.578 30 20 DJED C[C@@H](N[C@H](C)c1cnc2ccsc2c1)c1cccc(C#N)c1 610830454 VHXKPAIKHWSMOE-CHWSQXEVSA-N 307.422 4.580 30 20 DJED C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1Cl 619755920 ZAEPSHHDIIKUEB-SNVBAGLBSA-N 323.198 4.855 30 20 DJED C=CCOc1cccc(CNCc2c(Cl)cccc2Cl)c1 621359038 IOGYQURIHYQOEM-UHFFFAOYSA-N 322.235 4.848 30 20 DJED C=C[C@@H](C)NC(=O)c1cc(Cl)ccc1SC1CCCC1 680394584 BYYQCRSRMSBVDU-LLVKDONJSA-N 309.862 4.679 30 20 DJED CC(=NNc1ccc(OC(F)F)cc1)c1cc(C)ccc1C 726428433 AXMLZMNYRSPUMG-UHFFFAOYSA-N 304.340 4.741 30 20 DJED C[C@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)C(C)(C)C 734706362 FDLWXWALNSUVLU-MWLCHTKSSA-N 320.845 4.808 30 20 DJED O=C1/C(=C\c2ccccc2OC(F)F)Cc2cc(Cl)ccc21 742437698 PITCIIBGQHCBLX-GHXNOFRVSA-N 320.722 4.764 30 20 DJED N#Cc1cccc(C(=O)/C=C/c2ccc(F)c(C(F)(F)F)c2)c1 755589161 ZFCKTVAZOKZVTC-FNORWQNLSA-N 319.257 4.612 30 20 DJED CCCn1c(-c2ccc(O[C@H](C)C#N)cc2)nc2c(F)cccc21 758455122 SVFMWXGKABTNCD-CYBMUJFWSA-N 323.371 4.543 30 20 DJED C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1CCCCC(C)(C)C#N 769723959 HBEJDVXDHUUZFW-LMMKCTJWSA-N 314.473 4.557 30 20 DJED CC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cc(Cl)ccc1O 775511113 BOWCTPFVSOKWQO-YVEFUNNKSA-N 314.816 4.719 30 20 DJED COc1ccsc1/C=C/C(=O)c1cc2ccccc2s1 780187626 DJWBMXUATFMRNW-VOTSOKGWSA-N 300.404 4.868 30 20 DJED Clc1ccc(C2CC(=NNc3ccc4[nH]ncc4c3)C2)cc1 783867301 MYZGWQJVQGWCDU-UHFFFAOYSA-N 310.788 4.562 30 20 DJED Cc1cc(/C=C\C(=O)c2cnn(C(C)C)c2C)cc2cccnc12 787186415 ARRMWWFQWYABKD-FPLPWBNLSA-N 319.408 4.525 30 20 DJED FC(F)CON=C1CCC[C@@H]1c1cccc(C(F)(F)F)c1 789050835 LKVHKFIMSGMSRJ-LLVKDONJSA-N 307.262 4.611 30 20 DJED Cc1ccc(SC[C@@H](C)Nc2nc(Cl)c(C#N)s2)cc1 804621079 HAGVGDXAJBBTDD-SNVBAGLBSA-N 323.874 4.569 30 20 DJED CC(C)Oc1cccc([C@@H](C)OC(=O)CCCCCC#N)c1 805924215 FAAWJYSEMSBXIZ-OAHLLOKOSA-N 303.402 4.552 30 20 DJED O=C(/C=C\c1cscc1C(F)(F)F)c1ccc(O)c(F)c1 811690014 RIGBUBOTYFBQRV-IHWYPQMZSA-N 316.275 4.508 30 20 DJED C=CCC(F)(F)C(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 815774298 UFTQXDQMDZQJFO-UJGDBWEASA-N 319.395 4.682 30 20 DJED CCCCCCCCCCC(=O)N1CCCc2ccnc(O)c21 823780255 RIRDKXBIZTVRLP-UHFFFAOYSA-N 318.461 4.597 30 20 DJED CCC(C#N)(CC)C(=O)Nc1cccc(COc2ccccc2)c1 858673585 HMRMXHLLDNHLIM-UHFFFAOYSA-N 322.408 4.534 30 20 DJED CC[C@H](Nc1ccc([C@H]2CCOC2)cc1)c1cccc(C#N)c1 903001616 WBYPJNKDNINPTL-ICSRJNTNSA-N 306.409 4.625 30 20 DJED Cc1cccc(/C=C\C(=O)c2sccc2Br)c1 915113272 NENOJXCUXDRFGY-WAYWQWQTSA-N 307.212 4.715 30 20 DJED O=C(/C=C\c1ccc(F)c(Br)c1)c1cccc(F)c1 916134561 PHKHCLWDXHSOCA-ALCCZGGFSA-N 323.136 4.623 30 20 DJED CC(=NNc1ncc(Cl)cc1Cl)c1cc(C)sc1C 916316488 CVYSBLHXMFZTHP-UHFFFAOYSA-N 314.241 4.903 30 20 DJED C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1C(=O)CC1(C#N)CCCCC1 1126089725 FLFBMXROCFQRBQ-AOIWGVFYSA-N 324.468 4.644 30 20 DJED CCN(c1ccc(C#N)cc1)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 1126353298 TWANVUSFMJUVNX-IYARVYRRSA-N 310.441 4.518 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1nc(C(C)(C)C)cs1 1189561989 WXFYBKYDJXAQMB-UHFFFAOYSA-N 320.845 4.853 30 20 DJED C=CCN(C)[C@@H](C)c1ncc(-c2ccc(Cl)c(Cl)c2)o1 1255273210 VFFBZNOUYNHFHK-JTQLQIEISA-N 311.212 4.827 30 20 DJED Cc1nc(N2CCC[C@H]2c2ccc(C(C)C)cc2)ccc1C#N 1307087902 XGFGJUBDGBBJSI-IBGZPJMESA-N 305.425 4.727 30 20 DJED CC1(C)CCC[C@H](CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 1308579091 TWLQMWDBHRILGM-IHPCNDPISA-N 310.485 4.975 30 20 DJED C[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCC[C@@H](C)C1 1310043331 PLRFVMOTQVOWHR-AGIUHOORSA-N 319.836 4.548 30 20 DJED N#Cc1ccc(NC(=O)CC2CC(c3ccccc3)C2)cc1Cl 1354786227 JDQBCKQYACCLFN-UHFFFAOYSA-N 324.811 4.734 30 20 DJED CCN(c1cccc(C#N)n1)[C@H](C)c1cccc(C(F)(F)F)c1 1458183164 YAZFCKUOTPZGFO-GFCCVEGCSA-N 319.330 4.560 30 20 DJED CC(C)[C@@H]1C[C@H](Nc2nc(Cl)c(C#N)s2)c2ccccc21 1458536822 MGWYLEOFBNBBLT-STQMWFEESA-N 317.845 4.965 30 20 DJED C[C@H](CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)CC(C)(C)C 1461078394 KZPSZEKANJLUOO-CABCVRRESA-N 300.446 4.540 30 20 DJED CC[C@H](C)CN(CC)C(=O)Nc1scc(C(C)(C)C)c1C#N 1466646433 CLOFHMVBGMTTHX-LBPRGKRZSA-N 321.490 4.817 30 20 DJED CC(C)(C#N)CCCN1CCc2ccc(Cl)c(Cl)c2C1 1473623905 JCKXIMWTVJXLPP-UHFFFAOYSA-N 311.256 4.681 30 20 DJED C[C@@H]1CCN(Cc2ccc(C#N)cc2F)c2ccccc2S1 1474522234 JVKZSKNYJIPIIH-CYBMUJFWSA-N 312.413 4.588 30 20 DJED C[C@H](CC(=O)N(C)c1cc(Cl)ccc1C#N)CC(C)(C)C 1516249121 AERGEEDEIHXVDS-GFCCVEGCSA-N 306.837 4.637 30 20 DJED C[C@@H]1CCC[C@@H]1NCCC(C#N)(c1ccccc1)c1ccccc1 1559749206 JCXNJUKZWRYTEH-NQIIRXRSSA-N 318.464 4.665 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)CCc1ccc(C(C)C)cc1 1585574457 BACJZKBENPOATD-UHFFFAOYSA-N 314.473 4.673 30 20 DJED C[C@H]1C[C@@H](C(=O)N(c2ccc(C#N)cc2)C2CCC2)CC[C@H]1C 1586911904 MGBOHXVILWMUBD-VYDXJSESSA-N 310.441 4.516 30 20 DJED CCCN(c1ccc(C#N)c(C)n1)[C@H](C)c1cc2ccccc2o1 1611860530 FNVGGTMZMJJIGT-OAHLLOKOSA-N 319.408 4.986 30 20 DJED CC[C@H](C)C[C@H](C)Nc1c(C#N)cnc2c(Cl)cccc12 1612027498 FVQPELDEDQLVQC-RYUDHWBXSA-N 301.821 4.996 30 20 DJED N#CCC1(CN2CCC[C@H]2c2ccccc2C(F)(F)F)CC1 1620538221 RHYZGGQCLGEWFN-HNNXBMFYSA-N 308.347 4.536 30 20 DJED CC(C)C[C@@H]1CCC[C@H](Nc2ccccc2O[C@@H](C)C#N)C1 1651997333 KPAOQVFMJVOXGW-ULQDDVLXSA-N 300.446 4.994 30 20 DJED Cc1cc(C#N)ccc1CN(C1CC1)[C@@H]1CCCc2ccccc21 1653599412 QMTMPTILXFFOFX-JOCHJYFZSA-N 316.448 4.909 30 20 DJED CCOc1ccc(Cl)cc1CN(CCC#N)CCC(C)C 1657304632 ROAQEPDVFQUFQV-UHFFFAOYSA-N 308.853 4.500 30 20 DJED N#Cc1ccc(CCN[C@H]2CCC[C@@H]2c2ccccc2Cl)cc1 1659646559 YXYIDVANMSMZIB-QUCCMNQESA-N 324.855 4.680 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1)c1cc(Cl)ccc1Cl 37748272 AJGXYAYHMLHUFC-LLVKDONJSA-N 305.208 4.716 30 20 DJED CN(C(=O)c1cc(C#N)cs1)c1ccc(-c2ccccc2)cc1 84116077 RFJNURJFNPCHCT-UHFFFAOYSA-N 318.401 4.563 30 20 DJED CCc1nc(C)c([C@@H](C)N[C@H](CCC#N)c2ccccc2)s1 90664658 YQNCVZXYQULQOO-CZUORRHYSA-N 313.470 4.710 30 20 DJED CC(C)C[C@@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N 123164459 DNKPFQPWMMFQDX-ZIAGYGMSSA-N 319.474 4.637 30 20 DJED C[C@@H](NCc1cccc(OCC#N)c1)c1cccc2ccccc12 124017729 MHAVPTUGBFWEIC-MRXNPFEDSA-N 316.404 4.593 30 20 DJED C[C@H](N[C@@H](C)C(C)(C)c1ccccc1)c1ccc(OCC#N)cc1 181677031 AMFXEEVOPTZSIA-IRXDYDNUSA-N 322.452 4.606 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)C1C[C@@H](C)O[C@H](C)C1 189907617 RJIJFLIKMKSGFA-HUUCEWRRSA-N 315.457 4.681 30 20 DJED N#Cc1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)cc1 230958144 PRLLUOJXRHLJLS-UHFFFAOYSA-N 316.147 4.582 30 20 DJED CC[C@@H](C)c1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1 355899198 XYFRQUKNZXWLCV-CFYYFVFUSA-N 320.396 4.622 30 20 DJED C=CC[C@H](CC)NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 410133568 IPRFYLTXAOFJPX-YUTCNCBUSA-N 312.240 4.568 30 20 DJED CC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)cc1 417370999 SYOGJBVHMAPZIC-NHCUHLMSSA-N 315.420 4.548 30 20 DJED CCC1(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 427685932 CNTCXYHFHLJNDZ-UHFFFAOYSA-N 320.392 4.788 30 20 DJED CCN(Cc1c[nH]c2ccccc12)[C@@H](C)c1ccc(C#N)cc1 442879687 BNUVBUVUDVIAHE-HNNXBMFYSA-N 303.409 4.623 30 20 DJED COc1ccc2c(c1)C[C@H](C)N(CCCCC(C)(C)C#N)[C@@H]2C 444680072 DFMCGMVVVMVCIN-JKSUJKDBSA-N 314.473 4.723 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C 467964248 JIWYQSIUMYVDJE-JXFKEZNVSA-N 314.473 4.915 30 20 DJED C=CCCC1(C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)CC1 476596593 GSAWLQIFBDFJQQ-INIZCTEOSA-N 315.432 4.668 30 20 DJED N#CCCCSCc1ccc(Br)cc1Cl 479502255 LVTULHSZRFKKOR-UHFFFAOYSA-N 304.640 4.639 30 20 DJED CCCN(C(=O)c1ccc(C#N)s1)[C@H](CC)c1ccccc1 486916755 UYOPOUJJJGEAPE-MRXNPFEDSA-N 312.438 4.623 30 20 DJED N#Cc1ccccc1CSc1ccc(C#N)c(C(F)(F)F)c1 499488665 XQAUDROBYGUOEC-UHFFFAOYSA-N 318.323 4.741 30 20 DJED N#Cc1ccc(CN2CCC[C@@H]2c2cccc(Cl)c2)s1 507115082 DAQWPYNWGUBNJG-MRXNPFEDSA-N 302.830 4.610 30 20 DJED CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 522127622 MOJFGUHTBWUENK-KRWDZBQOSA-N 320.436 4.695 30 20 DJED C=CC[C@H](C)N[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 523935670 BRXFPJKASSPPAL-MGPUTAFESA-N 318.420 4.646 30 20 DJED C=CCC[C@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 536842003 XSGMCMDUGMSHHO-LPHOPBHVSA-N 323.436 4.816 30 20 DJED C=CCCC[C@H](C)NC(=O)Nc1ccc2nc(C3CC3)oc2c1 537250887 CSQVQDUAJCLAMH-LBPRGKRZSA-N 313.401 4.572 30 20 DJED C=CCCC[C@H](C)N[C@H](C)c1ccc(NC(=O)NC(C)C)cc1 540605827 LJIGDPMAEDXQIT-JKSUJKDBSA-N 317.477 4.612 30 20 DJED CC(=O)c1ccc(C#N)c(NCc2ccc3sccc3c2)c1 572657464 LIROXPGQDDHTOC-UHFFFAOYSA-N 306.390 4.588 30 20 DJED CCc1cc(C#N)c(NC(=O)CCCC2CCCCC2)s1 604027632 QJNROWDUOGGFLG-UHFFFAOYSA-N 304.459 4.871 30 20 DJED Cc1cc(C#N)ccc1OCc1ncc(-c2cccc(Cl)c2)o1 608886553 UZLIYEWLGUOJMF-UHFFFAOYSA-N 324.767 4.754 30 20 DJED Cc1ccc2c(Cl)c(C(=O)N[C@](C)(C#N)C(C)C)sc2c1 609169491 ZBPCJGDVHYLHCD-MRXNPFEDSA-N 320.845 4.531 30 20 DJED C[C@@H](N[C@H]1CCCc2ccc(Cl)cc21)c1cccc(C#N)c1 611193010 GVZNOFPVKAEAKI-YJYMSZOUSA-N 310.828 4.940 30 20 DJED Cc1c([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)oc2ccccc12 618805660 OVCHKAZFVYZVHH-IFXJQAMLSA-N 316.404 4.951 30 20 DJED CC[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(Cl)c1 618807794 XABXWJNJCQVYNP-OALUTQOASA-N 310.828 4.940 30 20 DJED C=CCC[C@@H](NC(=O)N[C@H](C)c1ccsc1)c1ccccc1 669875391 ZBORGZSJHFMQCC-RHSMWYFYSA-N 314.454 4.816 30 20 DJED N#Cc1c(F)cccc1OCCc1cc(Cl)cc(Cl)c1 722132468 IPSFFWVBRAIRBG-UHFFFAOYSA-N 310.155 4.626 30 20 DJED CC(C)[C@H](C)N1Cc2ccc(N=Cc3ccccc3O)cc2C1 726428387 ACLRBBJSHNDHPE-HNNXBMFYSA-N 308.425 4.503 30 20 DJED Cc1cc2nc(/C=C/c3cccc(OCC#N)c3)sc2cc1C 727744846 MXVZAFSBXAQJNU-VOTSOKGWSA-N 320.417 4.986 30 20 DJED COCCOc1ccc(/C=C\C(=O)c2ccc(C(C)C)cc2)cc1 730464552 SXGRCIVYEUBJTB-MLPAPPSSSA-N 324.420 4.731 30 20 DJED COc1cc(C)c(C(C)=NNc2cccc(Cl)c2)cc1OC 731315133 XXVMXKNFRLJWPM-UHFFFAOYSA-N 318.804 4.502 30 20 DJED CCSCc1cccc(N=Cc2cc3ccccc3nc2O)c1 741466360 OEPXIWCBJZXCJO-UHFFFAOYSA-N 322.433 4.944 30 20 DJED O=C(/C=C/c1ccc(O)cc1)c1cccc(-c2ccccc2)c1 746345734 JMYGUTXNXWHWBR-SDNWHVSQSA-N 300.357 4.955 30 20 DJED C[C@@H](/N=C\c1ccccc1O)c1ccc(-c2ccncc2)cc1 746394975 UKWZVMZQNQNXHE-YZLQOSHFSA-N 302.377 4.634 30 20 DJED CC(C)(C)Sc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1 758966568 BZNTXPGOQYOOGS-UHFFFAOYSA-N 324.449 4.896 30 20 DJED C=C(Cl)COc1ccc([C@@H](C)NCCCC(F)(F)F)cc1 766352573 GZQYMIZHWAIDAL-GFCCVEGCSA-N 321.770 4.811 30 20 DJED C#CCCCCC(=O)Nc1cccc(COC2CCCCC2)c1 773285589 OFHGOOJDLPBZMS-UHFFFAOYSA-N 313.441 4.668 30 20 DJED C=C(C)[C@@H](NCc1cnc(Cl)c(C)c1)c1ccc(F)c(F)c1 775318338 FBYHXVLMSAGATA-MRXNPFEDSA-N 322.786 4.729 30 20 DJED O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)c1cscn1 776191984 KXLWIOMTRCQNNP-RJRFIUFISA-N 317.719 4.711 30 20 DJED C[C@H](Nc1ccc(OCC2CC2)cc1)c1ccc(C#N)c(F)c1 777024278 OISNYYBMZLNJBB-ZDUSSCGKSA-N 310.372 4.659 30 20 DJED N#CCCCCCC(=O)Oc1ccc(Oc2ccccc2)cc1 805853718 LJCVAFSMNHUWDU-UHFFFAOYSA-N 309.365 4.858 30 20 DJED O=[N+]([O-])c1ccccc1-c1ccc(C=NNc2ccccc2)s1 812370941 IABMFAIITLZLGV-UHFFFAOYSA-N 323.377 4.769 30 20 DJED CCCCCCCCCC(=O)N1CC[C@@H](c2cccnc2)C1 843635246 PQCCRXXFCVCXPF-GOSISDBHSA-N 302.462 4.538 30 20 DJED CCCCc1noc(CSCCCCC2(C#N)CCC2)n1 901753791 ZYNUVTXYDPTRDQ-UHFFFAOYSA-N 307.463 4.510 30 20 DJED CCOc1cccc(/C=C\C(=O)c2ccccc2OC(F)F)c1 915982648 SQBZCEGVIGXZKS-KHPPLWFESA-N 318.319 4.583 30 20 DJED Cc1cc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)cc(C)c1O 916136925 GDWIAFFDPWHRFK-SREVYHEPSA-N 320.310 4.924 30 20 DJED N#CC1(CSc2nnc(-c3cccc(Cl)c3)o2)CCCC1 916146581 WJKCDRIVJKOQBC-UHFFFAOYSA-N 319.817 4.566 30 20 DJED Cc1cc(OCc2ccc(Br)cc2C)ccc1C#N 1166101301 JGIGPCFXAKOLKH-UHFFFAOYSA-N 316.198 4.517 30 20 DJED Cc1cc(F)ccc1N(C/C=C\Cl)Cc1ccc(C#N)cc1 1167850461 ABAUQZWOKXIICV-MBXJOHMKSA-N 314.791 4.765 30 20 DJED C/C(=C/c1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1Cl 1257872186 FTHHQVWUPSSNGZ-BENRWUELSA-N 321.767 4.822 30 20 DJED Cc1cc(C#N)cc(NC(=O)N[C@H]2CCC[C@H]2CCC(C)C)c1 1310872341 LUDZOJPQGOJQBW-WMZOPIPTSA-N 313.445 4.593 30 20 DJED N#C[C@@H]1CCC[C@H](Nc2ccc(SC(F)(F)F)cc2)C1 1320268460 XQIXSGUHZYQEQO-PWSUYJOCSA-N 300.349 4.793 30 20 DJED C=CCOc1ccccc1CN[C@@H]1C[C@H](C)c2c(C)ccc(O)c21 1321025050 WQTFGFFHVOOGQT-DOTOQJQBSA-N 323.436 4.604 30 20 DJED C=CCCCCCN(C)C(=O)c1cc(C)nc2cc(F)ccc12 1339378852 WUYVRXCZLPVMNU-UHFFFAOYSA-N 314.404 4.501 30 20 DJED N#Cc1cccc(NC(=O)c2cc3c(ccc4ccccc43)o2)c1 1354253785 RGUPJGLVPUUTGO-UHFFFAOYSA-N 312.328 4.710 30 20 DJED CC(C)N(C(=O)CC1(C#N)CCCCC1)c1ccc(Cl)cc1 1354900983 OCYHYEPRFAGHJU-UHFFFAOYSA-N 318.848 4.946 30 20 DJED CC[C@@H](C#N)N(CC)C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 1439680404 MRYVDJNFBBSTDQ-KEDVPNTESA-N 316.489 4.524 30 20 DJED Cc1ccnc(N[C@@H](C)c2ccc(F)c3ccccc23)c1C#N 1458414160 MDUJAVNIVVQGBO-ZDUSSCGKSA-N 305.356 4.727 30 20 DJED CCC[C@@H](CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)OC 1462082446 RYOZMCKQJJGNFO-KKSFZXQISA-N 322.452 4.691 30 20 DJED N#Cc1ccc(CNc2nc3c(F)cc(Cl)cc3s2)cc1 1472698890 HASRJTGGQBQAQY-UHFFFAOYSA-N 317.776 4.573 30 20 DJED N#C[C@@H](CCc1ccccc1)Sc1ncc(-c2ccccc2)o1 1472981131 TWNKPTFCXWJBHF-QGZVFWFLSA-N 320.417 4.959 30 20 DJED Cc1cc(Cl)cc(C)c1CN[C@@H]1CCCc2cc(C#N)ccc21 1474185445 RMLQSMRAHLKWDW-HXUWFJFHSA-N 324.855 4.996 30 20 DJED CCC[C@@H]1CCc2ccccc2N1C(=O)c1cccc(C#N)c1C 1518655040 WUZXJQJDPLOREL-GOSISDBHSA-N 318.420 4.628 30 20 DJED N#Cc1cccc(CNCc2ccc(-c3cccs3)cc2)c1 1560261869 WPKZKZBWRZBSEA-UHFFFAOYSA-N 304.418 4.577 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)CCCC2 1560897684 JJBZBGRDVFFEJS-MRXNPFEDSA-N 304.437 4.630 30 20 DJED CCC(C)(C)C1CCC(NC(=O)Nc2cccc(C#N)c2)CC1 1562144057 ZEYIBGWIYHHCDL-UHFFFAOYSA-N 313.445 4.675 30 20 DJED CC[C@@H](CN(CC)Cc1ccc(F)c(C#N)c1)c1ccccc1 1617353235 VMPOCBUEYYZYBW-KRWDZBQOSA-N 310.416 4.713 30 20 DJED C[C@@H](NCCC1(C#N)CCCCC1)c1nc(C(C)(C)C)cs1 1642625903 WSSSGSTVASPRHH-CQSZACIVSA-N 319.518 4.955 30 20 DJED Cc1ccc2ncc(C#N)c(OC/C=C/c3ccccc3)c2c1 1652005076 IUJLMYDGDFYAEA-VMPITWQZSA-N 300.361 4.507 30 20 DJED Cc1ccc(CN(Cc2cccc(C#N)c2)c2ccc(F)cc2)o1 1652735036 NSGGSVICLBPFBN-UHFFFAOYSA-N 320.367 4.806 30 20 DJED Cc1ccccc1CCCN1CC=C(c2ccc(C#N)cc2)CC1 1653151014 SEPMTBKCUDMTBH-UHFFFAOYSA-N 316.448 4.589 30 20 DJED Cc1cc(CN2CCc3ccc(Cl)cc3[C@@H](C)C2)ccc1C#N 1658484657 YHVZXQIVCAGLAE-HNNXBMFYSA-N 324.855 4.682 30 20 DJED Cc1cc(CN2CCC[C@@H]2c2ccc(F)cc2C)ccc1C#N 1659447650 FRRGFFCYNDBBPR-HXUWFJFHSA-N 308.400 4.651 30 20 DJED N#CC[C@@H]1C[N@@]1C(c1ccccc1)(c1ccccc1)c1ccccc1 1857776316 KUFZDUQIKUDLPA-RCZVLFRGSA-N 324.427 4.576 30 20 DJED C=C(C)COc1cc(/C=C/C(=O)c2cccs2)ccc1OC 60815812 VDWPRSNKQCDWRR-SOFGYWHQSA-N 314.406 4.608 30 20 DJED C[C@@H](CC1CCCC1)C(=O)Nc1ccccc1SCCC#N 74591177 KWFAWLVLUTVDJU-AWEZNQCLSA-N 316.470 4.847 30 20 DJED C[C@H](NCc1ccc(C#N)cc1F)c1cccc(C(F)(F)F)c1 120114141 XEGOJEDTFKUTSJ-NSHDSACASA-N 322.305 4.567 30 20 DJED N#Cc1csc(CNc2ccccc2N2CCCCCC2)c1 127164276 BRTDFABXJQWZGE-UHFFFAOYSA-N 311.454 4.612 30 20 DJED Cc1ccc(C2CC(Nc3ccccc3O[C@@H](C)C#N)C2)cc1 180754747 VPRIRJZDWFVMBG-ZLPCBKJTSA-N 306.409 4.644 30 20 DJED N#C[C@@H]1CCC[C@@H](Nc2cccc(C3SCCS3)c2)C1 185736521 NYBJRPMEOCESJS-TZMCWYRMSA-N 304.484 4.659 30 20 DJED C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc2ccccc2c1 192147094 CRKYISCGSURAOD-CQSZACIVSA-N 304.368 4.701 30 20 DJED CCc1ccc(C(=O)/C=C\c2ccccc2OC(F)F)s1 210369971 HLGZOKWKRCEWJZ-CLFYSBASSA-N 308.349 4.808 30 20 DJED O=C(/C=C/c1cccc(Cl)c1)c1c(Cl)nc2ccccn12 303696686 AJRYUIPFCVJLDT-BQYQJAHWSA-N 317.175 4.537 30 20 DJED C/C(O)=N/[C@H](CC1CCC1)C(O)=Nc1cccc2c1CCCC2 328845601 VIOGMRYMZFVFKJ-GOSISDBHSA-N 314.429 4.689 30 20 DJED C[C@@H]1C[C@H](C(O)=Nc2nc3ccc(Cl)cc3s2)CCC1=O 328869827 CZUOSCHUODDANA-RKDXNWHRSA-N 322.817 4.543 30 20 DJED Cc1noc(C)c1C(C)(C)/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 330278426 PQLPASZIKODPEX-ARFHVFGLSA-N 318.461 4.884 30 20 DJED CCc1ccc(N/C(O)=N/C(C)(C)c2nc(C)cs2)cc1C 330611058 VILUJAUWWRFAED-UHFFFAOYSA-N 317.458 4.584 30 20 DJED C[C@H](SCc1nc(C2CC2)cs1)c1ccc(C#N)cc1 342567917 MSZJYDKRZBBVNE-NSHDSACASA-N 300.452 4.887 30 20 DJED C=CCCC1(C(=O)N2C[C@H](c3ccccc3)C3(CCC3)C2)CC1 412662462 AYMPXALBKFJUSD-GOSISDBHSA-N 309.453 4.529 30 20 DJED N#CC1(CC[S@@](=O)c2ccc3ccccc3c2)CCCCC1 414232633 IEQSUFFBVKQNOZ-JOCHJYFZSA-N 311.450 4.812 30 20 DJED CCOc1ccc(Cl)cc1[C@H](C)NCc1ccc(C#N)s1 421876322 JRNHHOGJGANBJD-NSHDSACASA-N 320.845 4.523 30 20 DJED CC(C)c1ccc(NC(=O)[C@H](C#N)CCc2ccccc2)cc1 433110936 DAWPXQUCUITFMO-SFHVURJKSA-N 306.409 4.521 30 20 DJED C=CC[C@H]1N(Cc2cnc([C@H]3CCCO3)s2)CCCC1(C)C 446827038 LWQODOZHVGTQDL-HZPDHXFCSA-N 320.502 4.561 30 20 DJED Cc1cc(C)c(C#N)c(N[C@H](C)c2cc3cccc(F)c3o2)n1 473909372 HITMCPLCFJWZQR-GFCCVEGCSA-N 309.344 4.629 30 20 DJED N#CCCCCN[C@H](c1cccc2ccccc12)C(F)(F)F 510453535 JNGLXUPNMXFVJG-MRXNPFEDSA-N 306.331 4.727 30 20 DJED C[C@H](N[C@H]1CCC[C@H]1c1ccccc1)c1ccc(C#N)cc1F 512655316 SXGWEOVZNWHXTB-DCPHZVHLSA-N 308.400 4.684 30 20 DJED CCCCOc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 516120987 XFYPMUKPQARDCD-OAQYLSRUSA-N 320.436 4.514 30 20 DJED CC(C)(C#N)CCN[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 527328927 COUKZNNRGYQYKL-CVEARBPZSA-N 324.390 4.871 30 20 DJED C[C@H](N[C@H](c1ccccc1)C1CCC1)c1ccc(C#N)c(F)c1 537406667 JPPYPGVXGILCRP-VBKZILBWSA-N 308.400 4.889 30 20 DJED C[C@H](NCCOC(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 541087001 UFEDHRNAWJQAPM-INIZCTEOSA-N 322.452 4.691 30 20 DJED C=CCOc1ccc(CN[C@H](CC(C)C)c2ccccn2)cc1 552322492 PFZLITYWEPSUAN-HXUWFJFHSA-N 310.441 4.523 30 20 DJED CCCN(Cc1ccc(C#N)cc1F)[C@H]1CCc2ccccc21 554181371 YGGOHDMWNDVHCB-FQEVSTJZSA-N 308.400 4.597 30 20 DJED N#Cc1nc(N2CCC[C@@H]2c2ccccc2Cl)sc1Cl 596085955 QIWLDCMSMWQNDV-GFCCVEGCSA-N 324.236 4.663 30 20 DJED N#CCC1(CN[C@@H](c2ccc3ccccc3c2)C(F)(F)F)CC1 599046086 NRNNNMYENRLYKZ-INIZCTEOSA-N 318.342 4.727 30 20 DJED N#Cc1cccc(CN[C@H](Cc2ccccc2)c2cccs2)c1 609741549 NNHPJCSUDBFXNW-LJQANCHMSA-N 318.445 4.693 30 20 DJED CCc1ccc([C@@H](C)CC(=O)N(CCC#N)CCC(C)C)cc1 609988089 JWCIVBYSCJJZPM-KRWDZBQOSA-N 314.473 4.531 30 20 DJED C[C@H](NCCCSCc1ccccc1)c1cccc(C#N)c1 611386954 DAAQVJSTUVPCHJ-INIZCTEOSA-N 310.466 4.532 30 20 DJED Cc1cc(C#N)ccc1COc1ccc(Oc2ccccn2)cc1 614392123 CQZFMFUZDUBRSR-UHFFFAOYSA-N 316.360 4.633 30 20 DJED N#Cc1ccc(CNCc2cc3ccccc3s2)cc1Cl 619748239 CWODRUWCALGQRY-UHFFFAOYSA-N 312.825 4.716 30 20 DJED COc1cccc(/C=C2\Cc3ccc(C)cc3C2=O)c1OC(C)C 730949297 UDDJKCOLUFTVQC-SFQUDFHCSA-N 322.404 4.613 30 20 DJED Cc1cc(F)ccc1C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 731320667 XZYFIXRESMNBCN-XVNBXDOJSA-N 319.719 4.592 30 20 DJED CC(=NNc1nccnc1Cl)c1cccc(-c2ccccc2)c1 733077019 CTGJVYGEYTZKFH-UHFFFAOYSA-N 322.799 4.633 30 20 DJED O=C(/C=C\c1cc(C(F)(F)F)ccc1F)c1cccc(F)c1 733205493 XTAZZISESIQOEZ-DAXSKMNVSA-N 312.237 4.880 30 20 DJED COc1cccc(NN=C(C)C(C)(C)c2ccc(F)cc2)c1 734978267 AVHFUQMHHPILOD-UHFFFAOYSA-N 300.377 4.600 30 20 DJED O=C(/C=C/c1ccc(-c2ccccc2)cc1)c1cncc(F)c1 737445812 GJTCIIRWCDZYPF-DHZHZOJOSA-N 303.336 4.784 30 20 DJED COc1ccc(C)cc1/C=C/C(=O)c1ccc(SC)c(F)c1 741847283 MGKFKPPUCHFWCW-FNORWQNLSA-N 316.397 4.761 30 20 DJED CC(=NNc1cc(C(F)(F)F)ccc1F)c1cccc(C#N)c1 753946958 MNUIOMUEZZXFFA-UHFFFAOYSA-N 321.277 4.552 30 20 DJED O=C(/C=C\c1ccc(F)c(C(F)(F)F)c1)c1cccs1 755569782 NREGMIYLJZRBDE-XQRVVYSFSA-N 300.276 4.802 30 20 DJED C#CCN(C(=S)Nc1c(C(C)C)cccc1C(C)C)C1CC1 763363017 FWEQRZDXTWMDSO-UHFFFAOYSA-N 314.498 4.728 30 20 DJED C=C(C)Cn1c(SCCCCCC)nnc1-c1ccncc1 768415810 UDZKHWQJDDHQLI-UHFFFAOYSA-N 316.474 4.589 30 20 DJED C#CCCCCCC(=O)O[C@@H](C)c1ncc(-c2ccccc2)o1 780258772 ONGWYSISSYPJAC-HNNXBMFYSA-N 311.381 4.530 30 20 DJED Cc1cc(/C=C/C(=O)c2c[nH]c3ccccc23)cc2cccnc12 783705356 JDVPLFPJSPRPDE-CMDGGOBGSA-N 312.372 4.921 30 20 DJED C/C(=C/c1cccc(Cl)c1)C(=O)OCCCC(C)(C)C#N 784406783 SHGKTLOKWANGMH-RAXLEYEMSA-N 305.805 4.616 30 20 DJED COc1cccc(C=Nc2ccc(-c3ccncc3)c(C)c2)c1O 793652752 CWNCMHSEAVSRRW-UHFFFAOYSA-N 318.376 4.522 30 20 DJED C/C(=C/C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)C(C)(C)C 797566254 DBNXDGHIRCMPAP-NXIHDVOMSA-N 304.459 4.609 30 20 DJED CC(C)c1cc(C(=O)OCC(C)(C)CCC#N)c2ccccc2n1 798878479 FYHGRYYWKHWIJK-UHFFFAOYSA-N 324.424 4.845 30 20 DJED C[C@@H](C#N)OCCSCC1CCC(c2ccccc2)CC1 802753093 WREGSQHPQAYTMN-HJOIGYKYSA-N 303.471 4.622 30 20 DJED CC(=NNc1ccccc1Br)c1ccc(C)s1 812462679 RLYLBBFSTCIFDX-UHFFFAOYSA-N 309.232 4.655 30 20 DJED CCOc1ccc(/C=C\C(=O)c2ccc(C)cc2C)cc1OC 916155854 HMXBMMRJVFAUOC-YFHOEESVSA-N 310.393 4.607 30 20 DJED CC(=NNc1ccnc2cc(Cl)ccc12)c1cc(C)oc1C 916269286 DGOUNPLXEQFQAK-UHFFFAOYSA-N 313.788 4.934 30 20 DJED CC(C)Sc1ccccc1C(=O)Nc1cccc(CC#N)c1 1129087564 CLYWEPBNWJGWFG-UHFFFAOYSA-N 310.422 4.505 30 20 DJED CC(C)CC1(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CCCC1 1129983864 OVOCRNXJCJBRHC-MRXNPFEDSA-N 312.457 4.684 30 20 DJED CC(C)[C@H](CC1CCCCC1)C(=O)O[C@@H]1CCC[C@H](C#N)C1 1275465332 UTENPCXSHZBGTF-KSZLIROESA-N 305.462 4.855 30 20 DJED N#CCOc1ccc(NCc2ccccc2OC2CCCC2)cc1 1318503656 KMPVLIIXJMDQDL-UHFFFAOYSA-N 322.408 4.522 30 20 DJED O=C1/C(=C\c2ncc(-c3ccccc3)[nH]2)Cc2cc(Cl)ccc21 1324735406 FQPBAOZMOSGMNW-UVTDQMKNSA-N 320.779 4.553 30 20 DJED C=CCC(F)(F)c1nnc([C@H](C)Oc2cccc(Cl)c2)o1 1330101185 STPRLELPEBLXCJ-VIFPVBQESA-N 314.719 4.531 30 20 DJED CC(C)(C#N)Cc1nnc(-c2sc3ccccc3c2Cl)o1 1346638434 JFLIXRLXVDQEFS-UHFFFAOYSA-N 317.801 4.697 30 20 DJED N#CC1(CC(=O)N2CCCC3(CCCCCC3)C2)CCCCC1 1435350108 RSLGFOSRKHXGDU-UHFFFAOYSA-N 316.489 4.814 30 20 DJED CC[C@@H](OC(=O)c1ccc(C#N)s1)c1ccc(Cl)cc1F 1435810118 PUUQOPQBNBXOGE-CYBMUJFWSA-N 323.776 4.720 30 20 DJED CC[C@H](C)Oc1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1 1524303453 YHTSMHQWXKXWFI-GJZGRUSLSA-N 323.392 4.654 30 20 DJED CC1(C)CC(NC(=O)c2ccc(C#N)c(Cl)c2)CC(C)(C)C1 1527180854 OZQBHWQCJNZACY-UHFFFAOYSA-N 318.848 4.546 30 20 DJED Cc1oc(-c2ccccc2)c(C(=O)O[C@H]2CCC[C@H](C#N)C2)c1C 1528491399 YHLHIVLFORDQBY-RDJZCZTQSA-N 323.392 4.803 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1ccc(OCCC(C)C)cc1 1544114172 JSSVBSJSISGAHY-UHFFFAOYSA-N 322.408 4.544 30 20 DJED C[C@@H]1CCN(c2nc(C(C)(C)C)ccc2C#N)[C@@H]2CCCC[C@@H]12 1559121180 TYFMFNHSTOFWNP-HYVNUMGLSA-N 311.473 4.656 30 20 DJED Cc1c(Cl)cnc(NCc2ccc3ccccc3c2)c1C#N 1559122280 IWDCFNMIRGQYKA-UHFFFAOYSA-N 307.784 4.680 30 20 DJED Cc1cc(Cl)c(NC(=O)c2cc(C#N)ccc2F)cc1Cl 1583170132 ZWYHIGDVXAKSTE-UHFFFAOYSA-N 323.154 4.565 30 20 DJED CCCC[C@H](C)N(CCCC)C(=O)c1cc(C#N)ccc1F 1583517387 GIQBCMQMGVFTQR-AWEZNQCLSA-N 304.409 4.518 30 20 DJED CC(C)(C)[C@H]1CCCC[C@@H]1CNc1nc(C#N)c(Cl)s1 1611905675 OGQQLXHBNMKRAW-MNOVXSKESA-N 311.882 4.933 30 20 DJED Cc1nsc(NCC2(Cc3ccccc3)CCCC2)c1C#N 1612199765 ICAFMXXQXRAMOQ-UHFFFAOYSA-N 311.454 4.538 30 20 DJED Cc1cc(CN2C[C@H](c3ccccc3C)C[C@H]2C)ccc1C#N 1621165737 JYXYTDHXXGRWFU-YLJYHZDGSA-N 304.437 4.553 30 20 DJED N#Cc1cc(CN(C2CC2)[C@@H]2CCCc3ccccc32)ccc1F 1644806207 KXNCTKZSKXZSFP-OAQYLSRUSA-N 320.411 4.739 30 20 DJED C[C@H](CCC#N)CN[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 1665031979 MLCGBHMTYKRLEI-UWWQBHOKSA-N 304.865 4.896 30 20 DJED CCCCCC[C@H]1CCCC1=NNc1ccccc1C(=O)O 1776030132 FBMVVXPJVJFPEY-AWEZNQCLSA-N 302.418 4.923 30 20 DJED CCCC1CCC(C(C)=NNc2ccc(F)c(C(=O)O)c2)CC1 1776064305 HMGLDPSGEYLORU-UHFFFAOYSA-N 320.408 4.918 30 20 DJED CCCC(CCC)SCC(=O)N(CCC#N)c1ccccc1 64047818 PKRUHMMMIFSUSV-UHFFFAOYSA-N 318.486 4.635 30 20 DJED CC(C)CCCNC(=O)Nc1ccccc1S[C@@H](C)CC#N 66954371 IYSNBWQQAFDTRV-AWEZNQCLSA-N 319.474 4.639 30 20 DJED Cc1cccc(Oc2ccccc2NC(=O)N(C)[C@@H](C)CC#N)c1 86280923 GOHHNBMJFMLMOO-HNNXBMFYSA-N 323.396 4.553 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)cc1 98053767 RWXVZTBFDATPLO-YVMONPNESA-N 302.160 4.761 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)c2ccc(Cl)c(F)c2)cc1 122481299 CKJMJANNGRQNRX-UHFFFAOYSA-N 316.763 4.533 30 20 DJED CC(C)c1ccc(-c2nc(CN(C)[C@H](C)CC#N)cs2)cc1 161889748 NJTOQJKKBXLMDZ-CQSZACIVSA-N 313.470 4.667 30 20 DJED C[C@H](NCCCC(C)(C)C#N)c1ccc(OCC2CC2)c(F)c1 181573855 STQHBVJJDNIEGE-AWEZNQCLSA-N 318.436 4.595 30 20 DJED CC(C)(C)OC(=O)Nc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1 185737537 OWRYFQZFLBACKT-XJKSGUPXSA-N 315.417 4.528 30 20 DJED C#CCCCC(=O)N(CC)[C@@H](c1ccccc1)c1ccc(F)cc1 192283999 PJIAXAOQOMPAHV-NRFANRHFSA-N 323.411 4.567 30 20 DJED CCc1ccc(CNc2ccc(C#N)c(Br)c2)s1 225328616 KXWSKDWRLMQBIT-UHFFFAOYSA-N 321.243 4.557 30 20 DJED Cc1cc(N[C@H](C)c2ccc(Cl)cc2Cl)nn1CCC#N 271045637 TZGHJLLLQBFMAK-LLVKDONJSA-N 323.227 4.585 30 20 DJED N#CC1(CCCSCc2cccc(Cl)c2)CCOCC1 281094106 XRFICUAVTHULBV-UHFFFAOYSA-N 309.862 4.674 30 20 DJED C[C@@H](Sc1nc2cc(F)c(F)cc2[nH]1)c1ccc(C#N)cc1 303736699 XKCAECQJYKIUBG-SECBINFHSA-N 315.348 4.566 30 20 DJED C[C@@H]1CCC[C@H](C(O)=Nc2csc(-c3ccncc3)n2)C1 329810730 MNSWFIQENDQJRX-YPMHNXCESA-N 301.415 4.619 30 20 DJED CC(C)[C@H](C)/N=C(/O)c1cccc(NC(=O)C2CCCCC2)c1 330763035 IDJFBBWTGYNKQG-AWEZNQCLSA-N 316.445 4.555 30 20 DJED CC(C)(C)C[C@H](NC(=O)c1sccc1C#N)c1ccccc1 353618761 NBQBXIFZMNHSLG-HNNXBMFYSA-N 312.438 4.527 30 20 DJED Cc1csc(C(=O)Nc2sc(C(C)(C)C)cc2C#N)c1 411004862 DOPNJJDZJRVHHV-UHFFFAOYSA-N 304.440 4.540 30 20 DJED CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1ccc(C#N)cc1Cl 426149274 NBGFTMVBQAVEBJ-BLLLJJGKSA-N 319.836 4.644 30 20 DJED CC[C@@H](C)Oc1cccc(NC(=O)Nc2cc(C#N)ccc2C)c1 432761710 BDTPDDWRMXDODR-CQSZACIVSA-N 323.396 4.688 30 20 DJED CC(C)(C#N)CCCCN1CC[C@@H](Oc2ccccc2Cl)C1 444667374 UMISGCGNIDAACS-OAHLLOKOSA-N 320.864 4.513 30 20 DJED N#C[C@@H]1CCC[C@@H](Nc2ccccc2COCc2ccccc2)C1 447583615 BULPYDGRURDDQF-UYAOXDASSA-N 320.436 4.898 30 20 DJED N#CCCCCNC/C=C/c1ccc(OCc2ccccc2)cc1 459406784 LMFVTDPERHVKOV-JXMROGBWSA-N 320.436 4.562 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1ccc(-c2csc(C)n2)cc1 466405341 NVWXCKROKHCWPU-AWEZNQCLSA-N 315.442 4.595 30 20 DJED C=C[C@@](C)(CC)C(=O)N[C@H](C)c1cc2cccc(OCC)c2o1 467264402 NCWBFNBNSKVMME-YJYMSZOUSA-N 315.413 4.611 30 20 DJED Cc1cccc(C(N[C@@H]2CC[C@H](C#N)C2)c2cccc(C)c2)c1 471597778 HGYUOQLEMSHBFC-FXAWDEMLSA-N 304.437 4.675 30 20 DJED C=C(C)[C@H](NCc1ccc(OCC)cc1)c1ccc(F)c(F)c1 479411918 RSVIKTFIRLTOFU-IBGZPJMESA-N 317.379 4.771 30 20 DJED Cc1c(C(=O)N(C)c2ccccc2C#N)oc2ccc(Cl)cc12 479695804 YBLXSGBAWGSHLC-UHFFFAOYSA-N 324.767 4.543 30 20 DJED CCCN(CCC)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 482572593 LZPKBPWRAZGMJK-UHFFFAOYSA-N 322.408 4.613 30 20 DJED N#CCn1c(/C=C/c2ccc(Cl)c(F)c2)nc2ccccc21 486073267 GPBNUGRZDIBCHE-SOFGYWHQSA-N 311.747 4.523 30 20 DJED Cc1cc(CN[C@H](CC(F)(F)F)c2ccccc2)ccc1C#N 488101884 OVFHYSBQZSDICU-QGZVFWFLSA-N 318.342 4.650 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1cnc(C(C)C)s1 500978153 DXRIPYIVVIGTQF-UHFFFAOYSA-N 315.442 4.537 30 20 DJED CCN(Cc1cccc(OCCCC#N)c1)Cc1ccccc1C 507112416 VHSYFSNBWZSDFW-UHFFFAOYSA-N 322.452 4.700 30 20 DJED C[C@@H](Nc1ccc(-n2cccn2)c(Cl)c1)c1ccc(C#N)cc1 537532790 CAKYTNYJSRQTNV-CYBMUJFWSA-N 322.799 4.570 30 20 DJED CC(C)[C@H](NCc1cccc(C#N)c1)c1cc2ccccc2o1 538454666 IQOXJRDXCOQUQQ-FQEVSTJZSA-N 304.393 4.791 30 20 DJED C=C1CCN(C(=O)c2cc(C)ccc2SC2CCCC2)CC1 539625042 AUWMJKHNVBPAOT-UHFFFAOYSA-N 315.482 4.822 30 20 DJED N#C[C@@H]1CC[C@@H](N2CCC(c3ccccc3C(F)(F)F)CC2)C1 549865792 DCQGZJGCMUQVBT-UKRRQHHQSA-N 322.374 4.577 30 20 DJED C=CCOc1cccc(CN[C@H]2CCc3sc(Cl)cc32)c1 562066948 XVBQCHKXKVOGPJ-HNNXBMFYSA-N 319.857 4.743 30 20 DJED CC(C)CCOc1ccc(NC(=O)CCCCCC#N)cc1 588160317 CQLVVDSNNIDPBK-UHFFFAOYSA-N 302.418 4.524 30 20 DJED CCn1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cn1 732529029 KVPDMPNHKFHJAD-MDWZMJQESA-N 318.376 4.591 30 20 DJED C=CC[C@H](NC(=O)C[C@@H](CC)c1ccc(C)cc1)c1ccncc1 737855608 ZSVJEEMZSQYEKE-XLIONFOSSA-N 322.452 4.707 30 20 DJED CCCCCCCC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 739782021 URXNWJNFIQWSII-OAHLLOKOSA-N 314.429 4.879 30 20 DJED C=CC1CCN(C(=O)/C=C(\C)c2cccc(C(F)(F)F)c2)CC1 742658999 DBPZWCSPLFTBCS-ACCUITESSA-N 323.358 4.533 30 20 DJED CCC(=NNc1nc2cc(C(F)(F)F)ccc2s1)C1CC1 743445217 JXEMCAFHIDLUTH-UHFFFAOYSA-N 313.348 4.903 30 20 DJED CC(C)[C@H]1CC[C@H](C(=O)[C@@H](C#N)c2ccc3ccccc3n2)CC1 753539130 WYXDSNBGPGUFRJ-SZMVWBNQSA-N 320.436 4.873 30 20 DJED C=CCC[C@@H](NC(=S)Nc1ccccc1F)c1ccccc1 771852285 ZFXSKDAWPCNUFB-MRXNPFEDSA-N 314.429 4.820 30 20 DJED C=C(C)COc1cccc(NCc2cccc(Cl)c2O)c1 775756813 SYKSUAUQSVWSNI-UHFFFAOYSA-N 303.789 4.613 30 20 DJED O=C(/C=C/c1ccc(F)nc1)c1cccc(-c2ccccc2)c1 777466625 BPKGUPUPUAUNGA-PKNBQFBNSA-N 303.336 4.784 30 20 DJED C#CCCCNc1ccc(-c2csc(C(F)(F)F)n2)cc1 795049500 PAAMCUPROWJROO-UHFFFAOYSA-N 310.344 4.654 30 20 DJED CC[C@@](C)(C#N)C(=O)O[C@@H](C)c1ccc(Cl)c(Cl)c1 796889488 KDCFTWGCTZSJGX-XPTSAGLGSA-N 300.185 4.537 30 20 DJED CC(C)[C@@H](OC(=O)CCCCCC#N)c1ccc(F)c(F)c1 805904947 GWNSFUWYSRTZMA-QGZVFWFLSA-N 309.356 4.679 30 20 DJED CCCCCCC[S@@](=O)[C@@H](C)c1nccn1-c1ccccc1 806641421 FPHJSJWDJBWXGH-KSFYIVLOSA-N 318.486 4.652 30 20 DJED Cc1ccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2F)cc1Cl 814191127 MGZQTXPOMHQBJQ-DAXSKMNVSA-N 319.719 4.592 30 20 DJED C=C[C@H](CC(=O)[C@H](C#N)c1nc(C2CC2)cs1)c1ccccc1 842940658 HWJNGKLDRUSDDI-CJNGLKHVSA-N 322.433 4.557 30 20 DJED CC(C)=CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 879790726 GPTHXTJNFCYUGT-GFCCVEGCSA-N 316.470 4.675 30 20 DJED Cc1cc(C(=O)OCCCCC#N)c(C)n1[C@H](C)c1ccccc1 914663348 NBAUTUJKEDPPQN-MRXNPFEDSA-N 324.424 4.565 30 20 DJED CCc1cccc2c(/C=C\C(=O)c3ccc(OC)cc3F)c[nH]c12 916141648 OGHIWMHJAFUOEJ-YFHOEESVSA-N 323.367 4.774 30 20 DJED Cc1ccc([C@@H](NCc2cccc(OCC#N)c2)C2CCC2)cc1 1116674656 DLBVGUBWHVSVHJ-NRFANRHFSA-N 320.436 4.528 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCCCC[C@H]1c1ccco1 1167439327 VRBBDOWLTYAVAJ-KRWDZBQOSA-N 314.816 4.922 30 20 DJED Cc1ccc(CC2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 1192470564 CXTXRKRUTOYUAK-SFHVURJKSA-N 318.464 4.882 30 20 DJED Cc1ccc(C#N)cc1C(=O)N1CCCCC[C@H]1c1ccccc1 1264865554 UKZQVVQGWKLXBZ-FQEVSTJZSA-N 318.420 4.624 30 20 DJED CC(C)[C@]1(C)C[C@H]1C(=O)Nc1scc(C(C)(C)C)c1C#N 1274506605 CYLQHMFTJOFBDL-SJCJKPOMSA-N 304.459 4.538 30 20 DJED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)O[C@@H]1CCC[C@H](C#N)C1 1525049193 RMYDFROCQAMBGB-YYIAUSFCSA-N 311.425 4.602 30 20 DJED C[C@H]1CC[C@@](C)(C(=O)Nc2ccc(C#N)cc2Cl)C1(C)C 1544256046 PHIIXASWFFZXEO-GTNSWQLSSA-N 304.821 4.613 30 20 DJED N#Cc1cccc(Br)c1Oc1ccc2c(c1)CCC2 1559051057 IZVPGJRDHZCTTN-UHFFFAOYSA-N 314.182 4.602 30 20 DJED Cc1c([C@H](C)OC(=O)c2csc(C#N)c2)oc2ccccc12 1584922405 XPPACYLWPSJRFI-NSHDSACASA-N 311.362 4.592 30 20 DJED CC[C@@H](C#N)N(CC)C(=O)c1sc2cc(C)ccc2c1Cl 1611394336 PPZQNARZJJJIEB-NSHDSACASA-N 320.845 4.627 30 20 DJED N#Cc1nc(N[C@H]2C[C@H](c3cccc(Cl)c3)C2)sc1Cl 1639858721 PLRAMENJGBNWHN-HOMQSWHASA-N 324.236 4.680 30 20 DJED CC(C)c1ccc2c(c1)[C@@H](NCc1ccc(C#N)cc1)CCC2 1650898482 OPCRDNCMUQDUTM-NRFANRHFSA-N 304.437 4.849 30 20 DJED Cc1ccnc(N[C@H](C)c2cccc(Cl)c2Cl)c1C#N 1651550368 ZZAMDMXMIFBWNM-SNVBAGLBSA-N 306.196 4.742 30 20 DJED C[C@@H](Cc1coc2ccccc12)Nc1ccccc1O[C@@H](C)C#N 1658577375 LWEFVTCGTQACCO-GJZGRUSLSA-N 320.392 4.767 30 20 DJED CC(C)Cc1ccc([C@H](C)[C@@H](C)NCC(C)(C)CC#N)cc1 1659994947 JUUZYYLXQJKNBD-IAGOWNOFSA-N 300.490 4.907 30 20 DJED O=C(/C=C/c1cccnc1)c1ccc(OCc2ccccc2)cc1 7621142 SWQGEEPIHBVDOB-MDWZMJQESA-N 315.372 4.557 30 20 DJED Cc1nc(-c2ccc([C@@H](C)Nc3ncccc3C#N)cc2)cs1 27546121 NMRDLGTVHMIILU-GFCCVEGCSA-N 320.421 4.558 30 20 DJED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3occc3C)n2)cc1 41512809 JYWXZKOCLRBKMF-AWEZNQCLSA-N 322.389 4.510 30 20 DJED CCc1sc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1C 47376475 BUZKSICVELCDRB-AWEZNQCLSA-N 320.417 4.657 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C)cc1C 56529004 PGIYXYHZQDXNNF-UHFFFAOYSA-N 312.388 4.663 30 20 DJED C=CCN(Cc1cccs1)C(=O)N[C@@H](C)c1ccc(C)cc1 80079546 XCQGHMRMLLIGJH-HNNXBMFYSA-N 314.454 4.515 30 20 DJED N#Cc1ccc(CN[C@H](c2cccs2)C2CCCC2)s1 135682725 NCSUAQIHVDRVLQ-INIZCTEOSA-N 302.468 4.702 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccccc1C(F)(F)F 153287354 FFJRCUDLJKZEPD-UHFFFAOYSA-N 314.351 4.916 30 20 DJED C=CCC[C@H](NC(=O)c1sccc1SC)c1ccccc1 154239059 DZJPMIIOLARZLG-AWEZNQCLSA-N 317.479 4.907 30 20 DJED C=CCCCCCN(C)C(=O)Nc1c(C)cc(N(C)C)cc1C 156464872 IWTDCEYJUJYKKR-UHFFFAOYSA-N 317.477 4.580 30 20 DJED CC(C)(C#N)CCCSCc1coc(-c2ccccc2)n1 161198665 ADGCIIWLNDSXFB-UHFFFAOYSA-N 300.427 4.905 30 20 DJED CSCc1ccc(N[C@@H](C)c2ccc(OCC#N)cc2)cc1 183111080 WVKWAYZTIWESTG-AWEZNQCLSA-N 312.438 4.625 30 20 DJED N#Cc1ccc(CN(Cc2ccc(C(F)F)cc2)C2CC2)cc1 183929984 FBGCDVKCNFBHOJ-UHFFFAOYSA-N 312.363 4.660 30 20 DJED N#CCCCCNC1(c2cc(C(F)(F)F)ccc2Cl)CC1 191252733 KEGBKFWCJHILFR-UHFFFAOYSA-N 316.754 4.631 30 20 DJED Cc1ccc(C(=O)/C=C\c2cnc(-c3ccccc3)nc2)cc1C 207187749 ASELSECYBLMSPD-LUAWRHEFSA-N 314.388 4.657 30 20 DJED C#CCCOc1ccc(CN[C@@H](C)c2cc(C)cc(C)c2)cc1 237478513 JSBMLRINOMDRPV-SFHVURJKSA-N 307.437 4.556 30 20 DJED CC[C@H](Nc1cccc(OCCCC#N)c1)c1ccsc1 294170346 CFLPOCDXEZMNAJ-KRWDZBQOSA-N 300.427 4.994 30 20 DJED COc1ccc2c(c1)[C@@H](NCC(C)(C)CCC#N)CCCS2 348249801 ZJCXQZSDKHUVLW-INIZCTEOSA-N 318.486 4.542 30 20 DJED C[C@@H](NCc1nccs1)c1ccc(-c2cccc(C#N)c2)cc1 367827983 SBLPWIRQMXAEDY-CQSZACIVSA-N 319.433 4.533 30 20 DJED C[C@@H](CCSc1ccccc1)Sc1ccc(C#N)cn1 431235183 WXHZCJNRNROHEA-ZDUSSCGKSA-N 300.452 4.616 30 20 DJED N#C[C@@H]1CC[C@H](SCCCCS[C@H]2CC[C@@H](C#N)C2)C1 450938544 ZDZCJDLQMPTEPQ-WCVJEAGWSA-N 308.516 4.618 30 20 DJED CC#CCCCC(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1 458121341 HUDAGTOZRPVIOC-HXUWFJFHSA-N 309.453 4.714 30 20 DJED C=CCOc1ccc(C(=O)Nc2ccccc2NC(C)(C)C)cc1 466468258 CXAUKLNPUZZBLX-UHFFFAOYSA-N 324.424 4.714 30 20 DJED C=CCCN(C)C(=O)N[C@@H](C)c1ccc(Cl)c2ccccc12 467096639 SEONZWOGIYPIHP-ZDUSSCGKSA-N 316.832 4.772 30 20 DJED C=CCCC[C@@H](C)NCc1cc(-c2ccncc2)ccc1OC 479458587 UMRWUEGTZRQBEG-MRXNPFEDSA-N 310.441 4.592 30 20 DJED CCC(CC)[C@H](NC(=O)c1ccc(C#N)s1)c1cccs1 486671385 OITHNPJIZDXKNV-HNNXBMFYSA-N 318.467 4.589 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1ccc(OC2CCCC2)cc1 487927560 TXJHOCNSHJKNNX-INIZCTEOSA-N 314.429 4.580 30 20 DJED C=C[C@@H]1CCCCN1C(=O)c1cc(Cl)cc(C(F)(F)F)c1 488885401 VLKFBQWLZKHZJB-CYBMUJFWSA-N 317.738 4.540 30 20 DJED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)Nc1ccc(F)cc1C#N 489709834 DHKUEGKVRRLMOL-KGLIPLIRSA-N 322.383 4.625 30 20 DJED CC(C)(C#N)CC(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 498263860 MXCOVYIOLLKVPZ-KRWDZBQOSA-N 318.848 4.627 30 20 DJED COc1cc(C#N)ccc1CSCc1csc(C(C)C)n1 500843857 XAQIGVNRYXLJST-UHFFFAOYSA-N 318.467 4.580 30 20 DJED CCN(Cc1ccc(-c2cccc(F)c2)s1)C[C@@H](C)C#N 509811991 LTXCMPSOSITFHP-ZDUSSCGKSA-N 302.418 4.536 30 20 DJED N#Cc1ccc(OCc2csc(-c3ccoc3)n2)c(Cl)c1 518653840 JRKRELWHURWPNJ-UHFFFAOYSA-N 316.769 4.507 30 20 DJED C=C[C@H](CC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21)c1ccccc1 533911301 ADEDPOJGGNJVON-KVPLUYHFSA-N 311.469 4.774 30 20 DJED Cc1ccnc(N[C@H]2CCSc3ccc(Cl)cc32)c1C#N 541279961 FMZIDPKBPCPDOZ-AWEZNQCLSA-N 315.829 4.564 30 20 DJED CN(Cc1ccc(CC#N)cc1)C1c2ccccc2-c2ccccc21 544072194 OVBCJRXQNSBDHA-UHFFFAOYSA-N 324.427 4.954 30 20 DJED CCCCOc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1 556589263 RFVXMOCLUBTTCN-INIZCTEOSA-N 308.425 4.588 30 20 DJED C=C(C)COc1cccc(NC(=O)N(CCC(C)C)C2CC2)c1 589740863 FYBLQPJOPLQCMY-UHFFFAOYSA-N 316.445 4.684 30 20 DJED COc1cc(Cl)ccc1[C@H](C)N[C@H](C)c1cccc(C#N)c1 591531534 CSQCMLIURYASDB-OLZOCXBDSA-N 314.816 4.632 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccc(C2CC2)cc1 591866013 ILABDDWSAKUSKJ-CQSZACIVSA-N 319.408 4.661 30 20 DJED Cc1cc(C)c2c(c1)CC[C@@H]2N[C@H](CCC#N)c1ccccc1 594499392 DCDMWBBHLSKOQT-UXHICEINSA-N 304.437 4.925 30 20 DJED CCCCN(CCCC)C(=O)Nc1ccc(C(C)(C)C#N)cc1 603658245 VEGQKEBBZIYBNX-UHFFFAOYSA-N 315.461 4.922 30 20 DJED C[C@H](NC(=O)Nc1ccc(C2CCC2)cc1)c1cccc(C#N)c1 618780353 BKEYNPUFHMCBRO-AWEZNQCLSA-N 319.408 4.708 30 20 DJED Cc1cccc(-c2n[nH]cc2/C=C2\Cc3c(C)cccc3C2=O)c1 729149382 DLXJVWLBTHHZPP-MHWRWJLKSA-N 314.388 4.516 30 20 DJED CCCCCCCCOCC(=O)Nc1cc(F)ccc1Cl 741555603 RGRXJWAIPDBKMK-UHFFFAOYSA-N 315.816 4.795 30 20 DJED Cc1cc(/C=C/C(=O)c2cccs2)c(OC(F)F)cc1C 742429124 IGJPWGXHISTDHG-AATRIKPKSA-N 308.349 4.862 30 20 DJED C#Cc1cccc(N(C(=O)[C@H]2C[C@H]2c2sccc2C)C(C)C)c1 747886786 VXFYWHAXFJRYBU-MSOLQXFVSA-N 323.461 4.583 30 20 DJED O=C(/C=C\c1ccc(Cl)nc1)c1cc(Cl)ccc1Cl 748994743 SKAYQSXZRBXNOF-KTAJNNJTSA-N 312.583 4.938 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2ccc(-c3ccncc3)cc2)s1 749006462 WHYJRTHPJHZINY-BQYQJAHWSA-N 316.385 4.578 30 20 DJED O=C(/C=C/c1ccc2ncccc2c1)c1c[nH]c2cc(F)ccc12 749451565 GOHPATGEIXLKGJ-XBXARRHUSA-N 316.335 4.751 30 20 DJED CCn1c(C)cc(C=NOc2ccccc2C(F)(F)F)c1C 754711739 ABOKZNCAEBBNBN-UHFFFAOYSA-N 310.319 4.557 30 20 DJED CSc1ccc(C(=O)/C=C\c2ccccc2C#N)c(Cl)c1 765614365 UGINYLQOZMMBSW-TWGQIWQCSA-N 313.809 4.830 30 20 DJED CCCCCCCCCNC(=O)c1ccoc1Br 770159920 KKCPEGMKPNAJNW-UHFFFAOYSA-N 316.239 4.523 30 20 DJED CC(C)c1nc(C(=O)/C=C/c2ccc(O)c(Cl)c2)cs1 771746329 ZJNLAISFQIUFPL-GQCTYLIASA-N 307.802 4.522 30 20 DJED C#CC[C@H](N[C@H](CCC)c1cccc([N+](=O)[O-])c1)c1ccccc1 773105616 IFBQRJSIKWIAKN-VQTJNVASSA-N 322.408 4.790 30 20 DJED C#CC[C@@H](N[C@@H](C)c1ccc(F)cc1Cl)c1ccccc1 773113318 DBMMDFFYIJIUFV-SCLBCKFNSA-N 301.792 4.894 30 20 DJED C#CCCCCC(=O)Nc1ccc(SCc2ccccc2)cn1 773505802 LPMFMXNGOVQVCJ-UHFFFAOYSA-N 324.449 4.506 30 20 DJED CC(C)c1ncc(/C=C2\COc3ccc(Cl)cc3C2=O)s1 783714344 HTIXORCNXWOVCE-BJMVGYQFSA-N 319.813 4.579 30 20 DJED Cc1c([C@@H](C)OC(=O)CC(C)(C)C#N)sc2ccccc12 784837743 JBKDNEZJXQSTPM-GFCCVEGCSA-N 301.411 4.754 30 20 DJED C#Cc1cc(F)c(NCc2csc(C3CCCC3)n2)c(F)c1 787909462 FRMUUMWBPWGYCC-UHFFFAOYSA-N 318.392 4.672 30 20 DJED CCC(C)(C)c1ccc(NC(=O)c2ccccc2OCC#N)cc1 791113793 GNBZJALCVVAVQX-UHFFFAOYSA-N 322.408 4.529 30 20 DJED C=CCN(C(=O)c1ccc2nc(-c3ccccc3)oc2c1)C(C)C 793416616 GCVVMYGWFAVYNZ-UHFFFAOYSA-N 320.392 4.531 30 20 DJED FC(F)(F)c1cccc(NN=C2CCC[C@@H]2c2ccccn2)c1 794854611 JHNOFUFIOOWNGI-CQSZACIVSA-N 319.330 4.836 30 20 DJED Cc1c(C(=O)O[C@@H](C)c2ccco2)sc2ccc(C#N)cc12 797014185 INRIEHXSIRCRFJ-NSHDSACASA-N 311.362 4.592 30 20 DJED N#Cc1ccccc1/C=C\C(=O)Nc1ccc(-c2ccccc2)cc1 799443884 DKPYKHICRRMONX-QINSGFPZSA-N 324.383 4.877 30 20 DJED C[C@H](Nc1nc(Cl)c(C#N)s1)c1ccc(F)cc1Cl 804464438 VOCJCYYBMUVJMK-LURJTMIESA-N 316.188 4.634 30 20 DJED N#CCCCCCC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 805853453 JOJCTTXUQYZJPJ-UHFFFAOYSA-N 318.376 4.605 30 20 DJED C[C@@H](Oc1ccc(C#N)cc1)c1nc(C2CCCCCC2)no1 904677672 CXMMLMWMOKTWMQ-CYBMUJFWSA-N 311.385 4.519 30 20 DJED Clc1cccc(NN=Cc2ccccc2Br)c1 916269472 QUHRRZNIJUKKMQ-UHFFFAOYSA-N 309.594 4.549 30 20 DJED CCOc1cccc(C=Nc2cccc(O[C@@H](C)CC)c2)c1O 920178812 XCTONCHYLZLEEG-AWEZNQCLSA-N 313.397 4.719 30 20 DJED CCCCc1ccc(N(C)C(=O)CC2(C#N)CCCCC2)cc1 1126909669 CVMKNTJGYSZEFO-UHFFFAOYSA-N 312.457 4.856 30 20 DJED Cn1c(C(C)(C)C)nc2cc(Nc3cccc(F)c3C#N)ccc21 1186023107 QWXRVBCPKFUXSS-UHFFFAOYSA-N 322.387 4.625 30 20 DJED Cc1ccc([C@H](NCc2cccc(OCC#N)c2)C2CCCC2)o1 1319813564 DNHOIJCOEFLMEU-HXUWFJFHSA-N 324.424 4.512 30 20 DJED CCc1cc(C#N)c(NC(=O)CC2CCC(C)(C)CC2)s1 1356583210 NJQPAFMDNAGNER-UHFFFAOYSA-N 304.459 4.727 30 20 DJED CCC(CC)N(C(=O)c1ccc(C#N)cc1F)c1cccc(C)c1 1436141595 UGPDIDRXYJOING-UHFFFAOYSA-N 324.399 4.841 30 20 DJED N#Cc1ccc(OCC(=O)c2ccc3ccccc3c2)cc1Cl 1459036955 MSIAYIOFBMZFNX-UHFFFAOYSA-N 321.763 4.627 30 20 DJED Cc1cc(S[C@@H](C)C(=O)c2ccc(Cl)cc2)ccc1C#N 1473049375 WTQWCGNGPRUANY-LBPRGKRZSA-N 315.825 4.884 30 20 DJED CCC(CC)[C@H](C)C(=O)Nc1cc(C(C)(C)C)sc1C#N 1521110832 OTGZQFVLYSYRJP-NSHDSACASA-N 306.475 4.928 30 20 DJED Cc1c([C@@H](C)OC(=O)c2ccsc2C#N)oc2ccccc12 1522672609 XJQJHXBNIHKVPD-LLVKDONJSA-N 311.362 4.592 30 20 DJED Cc1cccc([C@@H](NC(=O)c2cccc(C#N)c2C)C(C)(C)C)c1 1527897263 RHEAODSMWLDNAD-LJQANCHMSA-N 320.436 4.692 30 20 DJED N#CCC[C@@H](NC(=O)CCCC1CCCCC1)c1ccccc1 1536268847 FTJMGCNUDHMQAY-LJQANCHMSA-N 312.457 4.898 30 20 DJED Cc1cccc(C)c1CNc1c(C#N)cnc2c(Cl)cccc12 1612170727 BZOMNDZHHVFCNX-UHFFFAOYSA-N 321.811 4.989 30 20 DJED CC[C@@H](Nc1ncc(C#N)cc1Cl)c1ccc(C)c(F)c1 1612192474 KPCRLYCVUFYTDO-OAHLLOKOSA-N 303.768 4.617 30 20 DJED Cc1cc(Oc2nc(-c3ccccc3)ns2)c(C)c(C)c1C#N 1612362461 QTOXUCQLLXDHQB-UHFFFAOYSA-N 321.405 4.794 30 20 DJED CCCN(CCc1ccc(C#N)cc1)[C@H](C)c1ccccc1OC 1641607248 XEUXYGPZAAHUNU-QGZVFWFLSA-N 322.452 4.583 30 20 DJED C[C@@H]1CCC[C@@H](Nc2c(Br)cccc2C#N)[C@@H]1C 1641979273 SASNHWOBNCQSNU-JTNHKYCSSA-N 307.235 4.557 30 20 DJED N#Cc1cccc(SCc2cc(Br)ccc2F)c1 1652688598 JNZBIFLVMQVUGC-UHFFFAOYSA-N 322.202 4.752 30 20 DJED C/C(=C\c1ccccc1OC(F)F)CNc1cccc(C#N)c1 1655987923 HSQAQEOLZNBJLK-UKTHLTGXSA-N 314.335 4.675 30 20 DJED N#Cc1ccc(CNCC2(c3ccccc3)CCCCC2)cc1 1656031439 NALKJSVTEPCODN-UHFFFAOYSA-N 304.437 4.550 30 20 DJED Cc1csc(NC(=O)N[C@@H]2CCC[C@H]2CCC(C)C)c1C#N 1677351619 ROAHNKHOEDVLLE-DZGCQCFKSA-N 319.474 4.655 30 20 DJED C=CC[C@]1(C(=O)O)CCCN([C@@H](C)c2ccc(C(C)C)cc2)C1 1776154048 SKTOLMOOKHGOCL-JXFKEZNVSA-N 315.457 4.614 30 20 DJED N#Cc1c(NC(=O)CCC2CCCC2)sc2c1CCCCC2 5897847 HYDFXQXJZQPBHW-UHFFFAOYSA-N 316.470 4.798 30 20 DJED Cc1c(Cl)cccc1N[C@H](C)c1ccc(OCC#N)cc1 37196600 SUIKUDXYTXVXGF-CYBMUJFWSA-N 300.789 4.724 30 20 DJED CCCOc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC 57437794 JCALGLGZRJXVJL-ONNFQVAWSA-N 314.356 4.519 30 20 DJED C=CCN(Cc1ccc(OC(F)F)cc1)Cc1cccs1 60465241 LXCASNGWLDULCL-UHFFFAOYSA-N 309.381 4.538 30 20 DJED C[C@H](c1ccc(Cl)cc1Cl)N(C)CCCSCC#N 74980966 GXQKJBSVNWINCC-LLVKDONJSA-N 317.285 4.633 30 20 DJED Cc1cccc(NC2CCN([C@H](C)c3ccc(C#N)cc3)CC2)c1 152982092 NROSDNHDYWCRAX-QGZVFWFLSA-N 319.452 4.504 30 20 DJED N#CCC[C@@H](Nc1ccnc(C(F)(F)F)c1)c1ccccc1 286298439 SKSZCUVXHUMXKL-CQSZACIVSA-N 305.303 4.557 30 20 DJED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@@H]2CCC[C@@H](C(C)(C)C)CC2)C1 328983669 FUAJSPCHSQKSGQ-YJNKXOJESA-N 308.466 4.693 30 20 DJED CC[C@@H](/N=C(/O)c1scc(C)c1Cl)c1c(C)noc1C 331092040 XCMIHHHFXFJOOC-SNVBAGLBSA-N 312.822 4.771 30 20 DJED CC(C)(C)C[C@@H](NCCCSCC#N)c1ccc(F)cc1 341457376 OJYCTPRBIKOELH-MRXNPFEDSA-N 308.466 4.539 30 20 DJED C=CCC[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 435297981 WZPUFXTVUPZBSS-GOSISDBHSA-N 304.393 4.605 30 20 DJED CC(C)(C#N)CCCCN1CCC[C@H]1Cc1ccc(F)cc1 444598533 QZAOFKRPSJGROL-SFHVURJKSA-N 302.437 4.553 30 20 DJED Cc1ccc(NC2CCC(C)(C#N)CC2)cc1OCC(F)F 449054495 PUZFXIGKDRVHSU-UHFFFAOYSA-N 308.372 4.523 30 20 DJED N#C[C@H]1CCC[C@H](NCC2(c3cccs3)CCCCC2)C1 463238158 ZHAGWZITZCLURU-HOTGVXAUSA-N 302.487 4.622 30 20 DJED N#C[C@H]1CCC[C@@H](Nc2cccc(-c3ccc4c(c3)CCO4)c2)C1 463238244 PPXMRBZIPJVSHK-HNAYVOBHSA-N 318.420 4.783 30 20 DJED C=C[C@H](C)NC(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C 465249545 ABDZRGBUEWXZTI-JKSUJKDBSA-N 324.424 4.831 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(C)cc1OC 471243731 LCDDIADSQHGKCL-UHFFFAOYSA-N 324.424 4.614 30 20 DJED N#Cc1cc(Cl)ccc1CNc1ccccc1CC(F)(F)F 478342303 MYBMWTVXOPKQAW-UHFFFAOYSA-N 324.733 4.929 30 20 DJED C=CCOCCCSCc1csc(-c2ccc(C)o2)n1 479609668 RNCUDFPPPQYHJL-UHFFFAOYSA-N 309.456 4.537 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1cccc(C(F)F)c1 482881035 RCDTXWCBUKALRW-UHFFFAOYSA-N 307.384 4.833 30 20 DJED Cc1nc(NC(c2cccs2)c2cccs2)ccc1C#N 488100424 SJEXWSBMDQUFJO-UHFFFAOYSA-N 311.435 4.586 30 20 DJED C=CCC[C@H](C(=O)N[C@@H]1CCC[C@H](SC)C1)c1ccccc1 488972746 DYEPGEZUMGMENS-SQNIBIBYSA-N 317.498 4.527 30 20 DJED CC(C)C[C@@](C)(C#N)NC(=O)c1ccc(Oc2ccccc2)cc1 502474463 CHSXHQHNASCKKS-FQEVSTJZSA-N 322.408 4.537 30 20 DJED CC[C@](C)(C#N)C(=O)Nc1ccc(Oc2cccc(C)c2)cc1 504602689 AIXFCCFTSGTSIS-LJQANCHMSA-N 308.381 4.666 30 20 DJED C=CCOc1ccc(CNC(C)(C)c2ccccc2)cc1Cl 520217116 HYVPHUFVZSUWDC-UHFFFAOYSA-N 315.844 4.930 30 20 DJED C=C(C)CN(C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C 524610954 QMHRCFYQWRPTQZ-OAHLLOKOSA-N 300.471 4.996 30 20 DJED C[C@@H](CN[C@H](C)c1ccc(C#N)c(F)c1)Sc1ccccc1 537408161 SNVGTWLXRHTLQX-UONOGXRCSA-N 314.429 4.529 30 20 DJED CCC[C@@H](NCc1ccc(CC#N)cc1)c1ccc(F)cc1F 542254740 VWEVHEBQGAXWJQ-LJQANCHMSA-N 314.379 4.662 30 20 DJED CC(C)Cc1ccc([C@@H](NCc2ccc(C#N)cn2)C(C)C)cc1 562371991 SRFQJDIVPRLKKW-NRFANRHFSA-N 321.468 4.639 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1cccc(Cl)c1OCC(F)F 577977489 OKNWNFSBMSPQJK-HNNXBMFYSA-N 317.763 4.525 30 20 DJED Cc1csc(NC(=O)C[C@H]2C[C@@H](C)c3c(C)cccc32)c1C#N 580006755 LKTPPBQHICSROF-TZMCWYRMSA-N 324.449 4.856 30 20 DJED N#Cc1ccc2c(c1)[C@H](NC[C@@H]1CCCC[C@@H]1C(F)(F)F)CC2 589340621 NCFKCEJEJLUYOC-BHYGNILZSA-N 322.374 4.504 30 20 DJED C=C(C)COc1cccc(NC(=O)N(C)C2CCCCCC2)c1 589740895 IAHUXTZKXSEQHW-UHFFFAOYSA-N 316.445 4.828 30 20 DJED Cc1cccc2[nH]c(CN[C@@H]3CCCc4cc(C#N)ccc43)cc12 594950744 PHDXTFJWKSQHBE-HXUWFJFHSA-N 315.420 4.515 30 20 DJED C=CCCN(C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C 606899328 KCWBKTSWMMQWGO-HNNXBMFYSA-N 300.471 4.996 30 20 DJED C[C@H](NCc1cc(C(F)(F)F)ccc1F)c1cccc(C#N)c1 610344865 JOTOWZWQOHPWFR-NSHDSACASA-N 322.305 4.567 30 20 DJED C[C@@H](NCc1cc(Cl)cc2cccnc12)c1cccc(C#N)c1 610786921 GNPJMMSNVWOTFL-CYBMUJFWSA-N 321.811 4.611 30 20 DJED CC1(C)/C(=C/C2=Cc3ccccc3OC2)C(=O)c2ccccc21 726743859 RRJGTRQRDIIOEJ-LDADJPATSA-N 302.373 4.563 30 20 DJED C#Cc1cccc(N(CC)C(=O)c2cc3cc(F)ccc3s2)c1 728536942 OBEBQBHEDVRTOH-UHFFFAOYSA-N 323.392 4.688 30 20 DJED CC(C)(C)CN(CCC#N)Cn1ccc(=S)c2ccccc21 731660418 MBJFMJIPCSJRGF-UHFFFAOYSA-N 313.470 4.590 30 20 DJED C=CC[C@@H](C)NCc1c(C)nn(-c2cccc(Cl)c2)c1Cl 735086075 OFHKOAWBNPHXAR-LLVKDONJSA-N 324.255 4.542 30 20 DJED CCOc1ccccc1/C=C\C(=O)c1ccc(SC)c(F)c1 741847368 NSBVUDQXZDHDOW-NTMALXAHSA-N 316.397 4.842 30 20 DJED CCOc1ccc(O)c(C=Nc2cc(C)c(C)c3ncccc23)c1 743044905 TYAOMTVDYOBFBX-UHFFFAOYSA-N 320.392 4.707 30 20 DJED N#Cc1ccc(SCc2cc(Cl)ccc2[N+](=O)[O-])c(F)c1 746388862 HJXZYXTXNYLZGU-UHFFFAOYSA-N 322.748 4.551 30 20 DJED CCC(CC)S[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 750953099 MKZWUTMMQNYNMU-HNNXBMFYSA-N 318.486 4.552 30 20 DJED CCOc1cc(/C=C2/C[C@@H](C)c3ccccc3C2=O)ccc1O 751534749 DFCUDXSQXYDOOO-LKKYZFDUSA-N 308.377 4.564 30 20 DJED Cc1ccc2c(c1)S/C(=C\c1ccc(O[C@@H](C)C#N)cc1)C2=O 752892590 XEEXYKAIRLXAIJ-VQIMKDEXSA-N 321.401 4.615 30 20 DJED CC[C@@H](C)c1ccc(C(=O)N(CC)c2ccc(C#N)cc2)cc1 753178825 VJMRVSGAEMYUQE-OAHLLOKOSA-N 306.409 4.738 30 20 DJED C/C=C(/C=C/C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)CC 765437405 KGFZTCSEQFKTEM-SMNKGLRVSA-N 323.223 4.587 30 20 DJED CC(C)(C#N)CCCCOC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 768607900 MSDQWUNPQIDCRN-QWHCGFSZSA-N 319.367 4.618 30 20 DJED C[C@@H](C#N)Oc1ccc(CN2CCC3(CCCCC3)CC2)cc1 769313562 UMRUTMPJOQVNOH-KRWDZBQOSA-N 312.457 4.524 30 20 DJED CC(=NNc1nccnc1C(C)C)c1ccc(Cl)cc1Cl 773079395 XXLZIAFXWWLBPC-UHFFFAOYSA-N 323.227 4.743 30 20 DJED C#CCCCCC(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 773427974 UPVMUZVGMWCZJM-NIQRWSHPSA-N 309.453 4.665 30 20 DJED N#C[C@@H](OC(=O)CCCc1c[nH]c2ccccc12)C1CCCCC1 776359596 KKXSWMZTIZURBK-LJQANCHMSA-N 324.424 4.506 30 20 DJED CCCCCCCCCN(C)C(=O)C(C)(C)c1cccnc1 778241396 AKBLUDQHDDAETJ-UHFFFAOYSA-N 304.478 4.568 30 20 DJED CCN(C(=O)c1ccc(F)c(C#N)c1)c1ccc2ccccc2c1 790388928 VFIAOYYQZZXXCG-UHFFFAOYSA-N 318.351 4.517 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)[C@H](F)CC2CCCCC2)n1 796741981 AZNDUPMXNHJSHA-ZIAGYGMSSA-N 322.449 4.751 30 20 DJED O=C(/C=C/c1cc(F)c(F)cc1F)c1c(F)cccc1Cl 809159426 PJXBXLKWSLJLJI-SNAWJCMRSA-N 314.665 4.793 30 20 DJED C[C@H](Oc1cc(C=O)cc(C(F)(F)F)c1)c1cccc(C#N)c1 810030527 XDMZMPKDMORRGK-NSHDSACASA-N 319.282 4.530 30 20 DJED FC(F)(F)c1ccc(NN=C2CC[C@@H](c3ccccc3)C2)nc1 814711416 IVBCNIHYTCXPDO-CYBMUJFWSA-N 319.330 4.836 30 20 DJED COc1ccccc1CON=C[C@@H]1CCC[C@H](C(F)(F)F)C1 853342744 MXWOGMQFJPTMAN-OCCSQVGLSA-N 315.335 4.566 30 20 DJED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccs2)cc1 915085501 CABHVRLLMFQSEY-QGZVFWFLSA-N 318.401 4.656 30 20 DJED O=C1/C(=C/c2cccc(OC3CCCC3)c2)Cc2c(O)cccc21 917519275 QASUHWWGUFXVLE-RVDMUPIBSA-N 320.388 4.536 30 20 DJED CCCCCCCCC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 917700626 MLMOXRCUQFQXJK-AWEZNQCLSA-N 306.406 4.523 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)c1cccc(F)c1Cl 1129796180 NWCHKLJJDSNOMC-UHFFFAOYSA-N 324.742 4.756 30 20 DJED Cc1ccc2ncc(C#N)c(OCc3ccccc3Cl)c2c1 1166233962 DTGAZJRHCHCOSL-UHFFFAOYSA-N 308.768 4.647 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)Cc1cccc2c1CCC2 1180152713 BNZNMUYWJVTXAK-UHFFFAOYSA-N 318.464 4.705 30 20 DJED C[C@]1(c2ccccc2)CC[C@H](N[C@H]2CCc3cc(C#N)ccc32)C1 1181435400 COKICXZEMYZHAZ-BVSLBCMMSA-N 316.448 4.646 30 20 DJED Cc1ccccc1-c1nsc(N[C@H](C)c2ccc(C#N)cc2)n1 1185045935 BORXKYZUKLYERX-CYBMUJFWSA-N 320.421 4.558 30 20 DJED CC[C@@H](C)[C@H]1CCCCN1c1ccc(C#N)c(Br)c1 1185978113 CRZNHWRZDVMAKP-MLGOLLRUSA-N 321.262 4.726 30 20 DJED Cc1cc(CN[C@H]2CCC[C@@H](C#N)C2)ccc1-c1ccccc1 1308707402 VUTFLUZOSCHWLF-XLIONFOSSA-N 304.437 4.834 30 20 DJED CC(C)[C@@H]1C[C@@H](Nc2ccc(OCC#N)cc2)c2ccccc21 1343910859 BSEQWBRCVFWSPQ-VQTJNVASSA-N 306.409 4.885 30 20 DJED N#Cc1sccc1C(=O)Nc1cccc(-c2ccccc2)c1 1436165683 OJEWCLBBLYSRKM-UHFFFAOYSA-N 304.374 4.539 30 20 DJED CC[C@@H]1CCC[C@H](CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 1474326847 NDGOQDJHIXXARR-KOUHRCEDSA-N 310.485 4.975 30 20 DJED CSc1cc(NCc2ccc(C#N)c(F)c2)ccc1Cl 1474579822 OWYWMFGICMEVLM-UHFFFAOYSA-N 306.793 4.685 30 20 DJED CCCC[C@@H](CC)CCCN(C)C(=O)c1cccc(CC#N)c1 1533373226 KDGBCQNXJZCUEE-QGZVFWFLSA-N 314.473 4.821 30 20 DJED C[C@@H](OC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cccc(C#N)c1 1534857042 IRWSEYCKOJSOBY-SKWUIDRYSA-N 311.425 4.769 30 20 DJED CC[C@H](CC1CCCC1)C(=O)N(CCC#N)c1ccc(F)cc1 1542898916 LCDNBVIPTJXGDW-MRXNPFEDSA-N 316.420 4.679 30 20 DJED Cc1cc(CN(Cc2ccccc2)[C@@H](C)C2CC2)ccc1C#N 1560718469 UQGJXRAFCPPWGW-KRWDZBQOSA-N 304.437 4.667 30 20 DJED Cc1nc(C(C)C)ccc1COc1nc(C(C)(C)C)ccc1C#N 1641219919 CSZLTWYMHNQFEG-UHFFFAOYSA-N 323.440 4.657 30 20 DJED CC(C)c1ccccc1-n1ccnc1S[C@H]1CC[C@@H](C#N)C1 1643515895 XZJRUIDIMPOUHE-CABCVRRESA-N 311.454 4.780 30 20 DJED CC[C@H](C)Oc1ccc(Nc2nc(C#N)c(Cl)s2)cc1 1651424570 HYCAYFOVQJNKHA-VIFPVBQESA-N 307.806 4.589 30 20 DJED N#Cc1ccc(SCc2c(F)cccc2Br)cc1 1652612626 JPZIDOUMMZHBIV-UHFFFAOYSA-N 322.202 4.752 30 20 DJED C[C@@H](CCC#N)CN1CCC(CCc2ccc(F)cc2F)CC1 1652744881 MCHOQTUMNUHSOA-HNNXBMFYSA-N 320.427 4.549 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)CC[C@@H](C)OCc1ccccc1 1654809226 LLUYXCDUZMGUPB-MSOLQXFVSA-N 322.452 4.546 30 20 DJED CC(C)(C)C[C@H](NC1CC(C#N)(c2ccccc2)C1)C(F)(F)F 1657550930 ZNWAWSNYMRQPMT-CKDBGZEDSA-N 324.390 4.567 30 20 DJED CC(C)C[C@H]1CCCC(=NNc2ccc(C(=O)O)c(F)c2)C1 1776075227 VLLIQITZRWCCLZ-GFCCVEGCSA-N 306.381 4.528 30 20 DJED CC(C)Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1 41544743 HFTOXJBSPSMZFC-MRXNPFEDSA-N 318.376 4.516 30 20 DJED CC(C)c1ccccc1-n1ccnc1SC[C@H](C#N)CCC#N 66400903 TWKKHTIUZKEZMO-HNNXBMFYSA-N 324.453 4.531 30 20 DJED C=C[C@H](CC(=O)N(C)Cc1ccc(Cl)s1)c1ccccc1 123568605 GFGGKXJLFHTRGX-CYBMUJFWSA-N 319.857 4.720 30 20 DJED CC(C)COc1ccc(CN[C@@H](CCC#N)c2ccccc2)cc1 130387591 YNSQHJVVBIPKNJ-NRFANRHFSA-N 322.452 4.856 30 20 DJED C=CCC(CC=C)C(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F 150963827 RIXNHOOFYQLRFI-KSSFIOAISA-N 301.405 4.504 30 20 DJED Cc1oc2ccccc2c1CN[C@@H](CCC#N)c1ccccc1 182655524 VVBGABQJBLQNLO-IBGZPJMESA-N 304.393 4.876 30 20 DJED Cc1cc(C(F)(F)F)ccc1CN[C@@H](C)c1ccc(C#N)cc1 190818379 LZUIMCJVYDQCKF-ZDUSSCGKSA-N 318.342 4.736 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2cccc(Cl)c2C)cc1 194456908 PBFSBAGVTXKHOZ-UHFFFAOYSA-N 312.800 4.517 30 20 DJED OC(=Nc1cc(C/N=C(/O)C2CCCC2)ccn1)C1CCCC1 329553281 DFMWAWAAXUYELT-UHFFFAOYSA-N 315.417 4.507 30 20 DJED Cc1ccccc1N=C(O)C1CCC(/N=C(/O)C2CC2)CC1 329977656 ZVXBHRCBBZXVSC-UHFFFAOYSA-N 300.402 4.508 30 20 DJED OC(=Nc1cccc2ocnc12)c1scnc1C1CCCC1 330244295 DCBUUILLIOGRNZ-UHFFFAOYSA-N 313.382 4.578 30 20 DJED N#CCC[C@H](NCc1cc(F)cc(Cl)c1)c1ccccc1 362529937 UHDQPCLHDCXCJM-KRWDZBQOSA-N 302.780 4.614 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)cc1 411364515 VOAUVJJFHZDUQY-NQIIRXRSSA-N 318.420 4.620 30 20 DJED CCC(CC)n1ccc(CSCc2cccc(F)c2C#N)n1 427847674 VVQFVRWIVSABHL-UHFFFAOYSA-N 317.433 4.688 30 20 DJED C=CCN(CCC#N)C/C(C)=C/c1ccccc1C(F)(F)F 430091032 QFNCVIOOJUEOGB-WYMLVPIESA-N 308.347 4.510 30 20 DJED C=CCC[C@H](NC(=O)Nc1cccc(OC)c1)c1ccccc1 435142333 VIDHTNZBXNRTOA-SFHVURJKSA-N 310.397 4.524 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1ccc(-c2ccncc2)c(C)c1 455502527 HIKGVWNNWOQRAI-INIZCTEOSA-N 309.413 4.533 30 20 DJED CC(C)(C)CCCC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 464951342 JMTMHFFYNOIDLU-ROUUACIJSA-N 312.457 4.501 30 20 DJED C=CCCCC[C@H](C)N[C@@H](C)c1nc(C(F)(F)F)cs1 467736810 XYCJDPXLPRARTC-QWRGUYRKSA-N 306.397 4.947 30 20 DJED C=CCC[C@@H](CCC)Nc1ccc(F)cc1-c1nnc(C)o1 475346313 CGDKTLGEQDNRTK-CQSZACIVSA-N 303.381 4.731 30 20 DJED COc1ccc([C@H](C)N[C@H]2CCCCc3cc(C#N)ccc32)cc1 481927567 YPBYBYIVBMJCIP-BTYIYWSLSA-N 320.436 4.685 30 20 DJED CC(C)[C@@H](CC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 481975466 RMYOHGRLKOMGQI-LJQANCHMSA-N 306.409 4.521 30 20 DJED Cc1nc(SCc2cccc(F)c2C#N)[nH]c1-c1ccccc1 488278070 IBDXMQKNAOCHQU-UHFFFAOYSA-N 323.396 4.688 30 20 DJED CC(C)C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 504213382 RWNZAXRZZZXGPP-LJQANCHMSA-N 321.424 4.662 30 20 DJED C=CCOc1ccc(CN[C@H](c2ccccc2)C2CCC2)cc1 518275942 YIAFZKVRYDVGIZ-OAQYLSRUSA-N 307.437 4.882 30 20 DJED C=C[C@H](CC(=O)N[C@@H](C)c1c(F)cccc1F)c1ccccc1 535335152 FKNQMTXORSZSQC-UONOGXRCSA-N 315.363 4.502 30 20 DJED C[C@@H](Nc1ccc(-n2cccn2)c(Cl)c1)c1cccc(C#N)c1 537532740 BUSAHDSFZUYVOW-CYBMUJFWSA-N 322.799 4.570 30 20 DJED Cc1cc([C@H](NCCCC#N)c2ccccc2Cl)ccc1F 542498788 MHLFSPAOZFZFIC-SFHVURJKSA-N 316.807 4.770 30 20 DJED CC[C@](C)(C#N)C(=O)N[C@H](C)c1ccc(Cl)c2ccccc12 552433865 FORVAHHPFFROGH-KZULUSFZSA-N 314.816 4.610 30 20 DJED C[C@@H](Sc1ccc(C#N)cc1F)c1nccn1-c1ccccc1 561473196 CCTPTTFJPUZTKC-CYBMUJFWSA-N 323.396 4.736 30 20 DJED CCCCN(C(=O)c1ccc(CC#N)cc1)[C@H]1CCC[C@@H](C)C1 578355333 HJYMEHKCXMTRNJ-APWZRJJASA-N 312.457 4.574 30 20 DJED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(C2CC2)c1 590254341 BPQLRKDLAYTTLJ-LHSJRXKWSA-N 302.421 4.774 30 20 DJED Cc1ccc(C[C@H](C#N)Sc2c(F)cc(F)cc2F)cc1 603938829 KZXRGVZXRVPERF-CYBMUJFWSA-N 307.340 4.639 30 20 DJED C=C(C)CN(CC)C(=O)C[C@H](Cc1ccccc1)c1ccccc1 607779807 VALYQBBMTXAIEW-NRFANRHFSA-N 321.464 4.828 30 20 DJED CC(=NNc1ccc(Cl)c(Cl)c1)c1sc(C)nc1C 726738097 QENBJAMFPKNQBG-UHFFFAOYSA-N 314.241 4.903 30 20 DJED C#Cc1cccc(N(C)C(=O)C[C@@H](CC)c2ccc(C)cc2)c1 737541941 WBJOOQASBQKDNQ-GOSISDBHSA-N 305.421 4.523 30 20 DJED O=C(/C=C/C=C\c1ccccc1)c1ccc(Br)s1 746683892 QKIVHLWHTBRMHQ-MVTUOISNSA-N 319.223 4.963 30 20 DJED CCN(Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)s1 768512866 QPMBNQFHPWGGMB-UHFFFAOYSA-N 324.371 4.661 30 20 DJED C[C@@H](NCCCCC(C)(C)C#N)c1nc2ccccc2s1 769798733 XSQUCMPDENGMFE-CYBMUJFWSA-N 301.459 4.667 30 20 DJED C#CC[C@H](N[C@H](C)c1ccc(SC)c(F)c1)c1ccccc1 773113610 DIMSUKHAHGNYDR-KDOFPFPSSA-N 313.441 4.963 30 20 DJED C#CCCCCCC(=O)N1CC=C(c2ccccc2Cl)CC1 780025943 WJQDDRDOUPAIGN-UHFFFAOYSA-N 315.844 4.539 30 20 DJED C[C@@H](CC1CCCC1)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797573002 MFHFNNJIOSKVSZ-JSGCOSHPSA-N 318.486 4.833 30 20 DJED CC(C)Oc1ccc(COC(=O)CCCCCC#N)cc1Cl 805698183 VXGZVGKZZAOWAD-UHFFFAOYSA-N 323.820 4.644 30 20 DJED C=C(C)[C@@H](N[C@@H]1CCc2cccc(O)c21)c1ccc(F)c(F)c1 834768764 FOUMWSSOBDYBQJ-VQIMIIECSA-N 315.363 4.565 30 20 DJED C[C@H](C#N)Oc1ccc(-c2nc3ccccc3n2C2CCC2)cc1 844274698 XYYVUIGCUPIBNF-CQSZACIVSA-N 317.392 4.719 30 20 DJED CCc1c(C(=O)/C=C/c2ccccc2[N+](=O)[O-])oc2ccccc12 916131941 OESDBCCQNDDGPW-VAWYXSNFSA-N 321.332 4.800 30 20 DJED CC[C@@H](C)Oc1ccc(N=Cc2cc3ccccc3nc2O)cc1 920173240 ARPXCDSLRMNYAL-CQSZACIVSA-N 320.392 4.868 30 20 DJED CC(C)[C@@H](OC(=O)c1ccc(C#N)o1)c1ccc2c(c1)CCCC2 1130836740 BWJDDMFGEFTVBI-LJQANCHMSA-N 323.392 4.584 30 20 DJED CCCC[C@H](CCC)CNc1ncc(C#N)cc1Br 1162769500 KBNIMVCUZRCMEA-LBPRGKRZSA-N 324.266 4.734 30 20 DJED Cc1cc(C#N)ccc1CSc1nc(C)c(C)n1CC(C)C 1165297970 ZWYUUKNGEORYMO-UHFFFAOYSA-N 313.470 4.628 30 20 DJED Cc1cc(C)c2c(c1)N(Cc1ccc(C#N)cc1Cl)CCC2 1191939009 QGCGAURBWBIKHL-UHFFFAOYSA-N 310.828 4.781 30 20 DJED Cc1cc(C#N)cc(NC(=O)N2CCCC[C@@H]2CCC(C)C)c1 1206306290 XDPADNQSGUPVMV-GOSISDBHSA-N 313.445 4.689 30 20 DJED C=CC[C@@H](C(=O)N(CC)Cc1ccccc1F)c1ccccc1 1343067798 FTCYAQNTONJGAX-GOSISDBHSA-N 311.400 4.534 30 20 DJED Cc1nc(N[C@H](C)c2sc3ccccc3c2C)ccc1C#N 1458306127 AKQDSFFZBFBAMI-CYBMUJFWSA-N 307.422 4.958 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)C2=C(c3ccccc3)CCCC2)C1 1528082422 XZOJRISWHXZJCU-WBVHZDCISA-N 309.409 4.640 30 20 DJED Cc1c(C#N)cccc1C(=O)Nc1cccc2c1[C@H](C)CC2(C)C 1535683395 YEMFPBKMYLSOOA-CYBMUJFWSA-N 318.420 4.904 30 20 DJED Cc1ccc(-n2ccnc2SCC2(C#N)CCCC2)c(C)c1 1559338985 QKWFYVBTWBMPGR-UHFFFAOYSA-N 311.454 4.665 30 20 DJED Cc1cc(NC(=O)c2csc(C#N)c2)ccc1-c1ccccc1 1584331899 XLGLXJIZJXLKJA-UHFFFAOYSA-N 318.401 4.848 30 20 DJED N#Cc1cnc(N2CCC[C@@H]2CCC2CCCC2)c(Cl)c1 1612132248 RPRRKEOKDOKTPR-OAHLLOKOSA-N 303.837 4.546 30 20 DJED CC[C@H](C#N)C(=O)N(Cc1cccc2ccccc12)C1CCCC1 1627949567 OZDCUZVPFUEFAN-MRXNPFEDSA-N 320.436 4.661 30 20 DJED CC(C)(C)C[C@H]1CCN(Cc2ccc(F)cc2C#N)C1(C)C 1643394070 SWSXZGWOAZUJLT-MRXNPFEDSA-N 302.437 4.734 30 20 DJED N#Cc1cccc(SCc2cccc(Br)c2)c1 1643742564 ICPMPSDEHZAPNC-UHFFFAOYSA-N 304.212 4.613 30 20 DJED N#CCc1ccc(CN2CCC[C@H](c3ccc(F)cc3)CC2)cc1 1645018494 UNWDGADOCYKXKQ-IBGZPJMESA-N 322.427 4.661 30 20 DJED Cc1cc(CN[C@@H]2CCCC[C@@H]2Cc2ccccc2)ccc1C#N 1657088441 VTYKKNFGOUTUPT-IFMALSPDSA-N 318.464 4.758 30 20 DJED CC(C)c1ccc(CCN(C)[C@H](C)c2cccc(C#N)c2)cc1 1658402841 UOECYIJANMEBBE-QGZVFWFLSA-N 306.453 4.917 30 20 DJED CC(C)(C)[C@H]1CN(Cc2cccc(F)c2C#N)c2ccccc21 1664496861 CTAMHQYHFBIUTO-KRWDZBQOSA-N 308.400 4.847 30 20 DJED Cc1csc([C@@H](C#N)C(=O)/C=C/c2ccc(C(C)(C)C)cc2)n1 47358337 MZFPPLSOBGECPQ-JCVNQNCUSA-N 324.449 4.639 30 20 DJED CSCCCCC(=O)Nc1ccccc1S[C@@H](C)CC#N 151868272 KNMRXCRUPQWMDD-ZDUSSCGKSA-N 322.499 4.553 30 20 DJED C=CCC(CC=C)C(=O)Nc1cc(-c2nc(C)co2)ccc1C 152973436 IAZCVOKCPZLDNU-UHFFFAOYSA-N 310.397 4.665 30 20 DJED CC(C)(C)c1cc(NC(=O)c2ccccc2Cl)c(C#N)s1 154247808 OPLDMARCZIAKAA-UHFFFAOYSA-N 318.829 4.823 30 20 DJED N#CCCCCNCc1ccc(-c2cccc(C(F)(F)F)c2)o1 180931680 OWZBGBXEWQJZRX-UHFFFAOYSA-N 322.330 4.749 30 20 DJED N#CCc1ccc(NCc2ccccc2OC2CCCC2)cc1 237834645 ORZCJAZZFLXRFJ-UHFFFAOYSA-N 306.409 4.686 30 20 DJED C/C(O)=N/[C@H](/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CCCC1 328990568 DAVJBCARDZBCNY-HPBDAGMYSA-N 320.477 4.837 30 20 DJED C[C@@H](N[C@@H](CCC#N)c1ccccc1)C1CCC(F)(F)CC1 353311874 HRMDRBLKXLAFKQ-PBHICJAKSA-N 306.400 4.835 30 20 DJED CC(C)c1ccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)s1 425129742 MNXFUQOQWACOEP-CYBMUJFWSA-N 312.438 4.576 30 20 DJED Cc1cc(C)cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c1 430586934 UKYPQPFACFQBCL-AWEZNQCLSA-N 312.438 4.548 30 20 DJED N#C[C@H]1CC[C@@H](Nc2ccccc2COCc2ccccc2)C1 442867390 OHDOPZHYKBPJCB-PKOBYXMFSA-N 306.409 4.508 30 20 DJED CCc1ccc(-c2ccc(C(=O)Nc3ccccc3C#N)o2)cc1 443807488 IWVJSKOXEXNQKG-UHFFFAOYSA-N 316.360 4.633 30 20 DJED N#CCCC[C@@H](NCc1ccnn1C1CCCC1)c1ccccc1 449342210 ZVAUMVFIQDHQQK-HXUWFJFHSA-N 322.456 4.523 30 20 DJED C=CCC(CC=C)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 467339015 PPDFRKYEAVAZBJ-UHFFFAOYSA-N 314.212 4.709 30 20 DJED N#C[C@@H]1CC[C@H](N[C@H](CCc2ccccc2)c2ccccc2)C1 471599586 ULUJTWZEYSNJHQ-HLAWJBBLSA-N 304.437 4.642 30 20 DJED C=CCCCSCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 476128685 CKAAUVVUUSLYJT-ZDUSSCGKSA-N 311.878 4.559 30 20 DJED CCC(CC)N(CC(C)C)C(=O)c1ccc(C(C)(C)C#N)cc1 476233568 DNZWPOQTATZCLT-UHFFFAOYSA-N 314.473 4.775 30 20 DJED CC[C@@H]1CCCC[C@H]1N(C)C(=O)C[C@@H](CC#N)c1ccccc1 476291420 VVINTUNLEZGENM-BHIYHBOVSA-N 312.457 4.501 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCc2cc(F)ccc21 481649516 FUDLGOKLAXDXSZ-LEWJYISDSA-N 320.411 4.742 30 20 DJED C=CC[C@@H](C(=O)N(C)c1ccc(SC)cc1)c1ccccc1 488812523 FAEFOXOYVCVICR-GOSISDBHSA-N 311.450 4.731 30 20 DJED Cc1ccc(-c2nc(/C=C\c3ccncc3C#N)cs2)cc1 504713417 WALYMATTYNVWOW-SREVYHEPSA-N 303.390 4.556 30 20 DJED C[C@H](c1cccc(C(F)(F)F)c1)N(C)Cc1cc(C#N)cs1 507206933 ASJOBRNAQOFYAH-LLVKDONJSA-N 324.371 4.832 30 20 DJED C=C(C)CCc1noc(-c2cncc(-c3cccc(C)c3)c2)n1 508595416 NNIBPYWDIRIZCL-UHFFFAOYSA-N 305.381 4.616 30 20 DJED N#Cc1cnc(N[C@@H](c2ccccc2)C2CCCC2)c(Cl)c1 513635495 OBSIJBCTUGISFL-KRWDZBQOSA-N 311.816 4.950 30 20 DJED CC(C)(C)c1cc(NC(=O)c2cc3ccccc3o2)c(C#N)s1 534520009 PRLLOSVPJKPKCU-UHFFFAOYSA-N 324.405 4.916 30 20 DJED CCCN(C(=O)c1ccc(CC#N)cc1)[C@@H](CC)c1ccccc1 536099231 RSXVWUACFMGJAE-FQEVSTJZSA-N 320.436 4.756 30 20 DJED C=CC[C@@H](C)N[C@@H](C)c1sc(Cc2ccccc2)nc1C 539071294 INPFPBFNUMSGMG-KGLIPLIRSA-N 300.471 4.658 30 20 DJED C=CCCOCCCCC(=O)N(c1cc(C)ccc1C)C(C)C 540599090 FUQRQAMSDNWJNU-UHFFFAOYSA-N 317.473 4.808 30 20 DJED N#Cc1cccc(CNC2(c3ccc(Cl)c(Cl)c3)CC2)c1 545251425 APNNCNJQOBLMSZ-UHFFFAOYSA-N 317.219 4.644 30 20 DJED Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(C(C)C)s3)[nH]c12 546195277 CVXYLSYNCNDKEU-GFCCVEGCSA-N 323.421 4.546 30 20 DJED CC(C)(CC(=O)N1CCC(CCC#N)CC1)C1CCCCC1 564731077 QYAUBPYWZBZDOB-UHFFFAOYSA-N 304.478 4.525 30 20 DJED C=CCN(Cc1cccs1)C(=O)N[C@H]1CCCC[C@@H]1CCC 590639055 CWVRPFJFUIRGPH-RDJZCZTQSA-N 320.502 4.805 30 20 DJED CC[C@@H](C)Sc1ccc(-c2noc(CC(C)(C)C#N)n2)cc1 592414250 GYXQXZSVWRXHJW-GFCCVEGCSA-N 315.442 4.719 30 20 DJED COc1cc(C)c(-c2cccc(C3(C#N)CCOCC3)c2)cc1C 592987427 SHUONUVBLBOKNR-UHFFFAOYSA-N 321.420 4.551 30 20 DJED C=CCCCCCN(C)C(=O)c1cnc(-c2ccccc2)s1 606816449 ZASGKSGUZSNTFT-UHFFFAOYSA-N 314.454 4.629 30 20 DJED CCC[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(OC)cc1 618805960 LIQTVRXZMAGRAG-NHCUHLMSSA-N 320.436 4.685 30 20 DJED CCn1nc(C)c(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1C 727976209 NQCFZPXJOFBYTA-BQYQJAHWSA-N 323.223 4.723 30 20 DJED C=CCOC(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1 730073446 FDMZEYRBSNFNKN-INIZCTEOSA-N 320.360 4.527 30 20 DJED CCCC[C@H](CC)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730418158 RHVFLPDKNYEWOF-WCQYABFASA-N 318.417 4.828 30 20 DJED N#Cc1cccc(/C=C2\CSc3c(Cl)cccc3C2=O)c1 731938667 GNXLQWWMXQRNPR-MDWZMJQESA-N 311.793 4.584 30 20 DJED CCCCCCOCc1cccc(NCc2ccc(C#N)o2)c1 747099582 ZOJJSLARXXETPC-UHFFFAOYSA-N 312.413 4.860 30 20 DJED CCc1ccc(C(=O)/C=C\c2c(Cl)nc3ccccn23)s1 747201271 ZWTOVHLVABPQTA-FPLPWBNLSA-N 316.813 4.508 30 20 DJED C#CC[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccccc1 756998427 UYZXQHQVZXOZHS-JOCHJYFZSA-N 318.464 4.531 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2cccc(Cl)c2Cl)s1 762446798 LGWAOVHGZHWXPO-XQRVVYSFSA-N 308.189 4.823 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2cc(Cl)ccc2Cl)c(F)c1 772803940 WGLLICISVDDOGZ-UTCJRWHESA-N 320.150 4.900 30 20 DJED O=C1C/C(=C\c2cc3ccccc3s2)C(=O)c2ccccc2N1 774140243 GUVGHMNLTUBECX-JLHYYAGUSA-N 319.385 4.510 30 20 DJED C#CCC1(C(=O)Nc2ccc(-c3coc(C)n3)cc2)CCCCC1 788430987 QAIMUCNKJIRXNG-UHFFFAOYSA-N 322.408 4.562 30 20 DJED O=C1/C(=C/c2ccnc(Cl)c2Cl)CCc2ccccc21 791435166 QERJELVQVZLUAN-FMIVXFBMSA-N 304.176 4.601 30 20 DJED CCCCCC[C@@H](C)NC(=O)c1ccc(C(C)(C)C#N)cc1 792932821 UWERYIHMNMFKSL-OAHLLOKOSA-N 300.446 4.576 30 20 DJED COc1ccc(NN=C2CCC[C@@H]2CCF)c(C(F)(F)F)c1 793112494 TWSARLOGOXCZKE-SNVBAGLBSA-N 318.314 4.642 30 20 DJED N#C[C@H]1CC[C@H](Nc2ccc(OCc3ccccc3F)cc2)C1 799734881 QMWCVLKHZIKSAR-YOEHRIQHSA-N 310.372 4.509 30 20 DJED Fc1ccc([C@@H]2CCCC2=NNc2nccnc2C2CCC2)cc1 807993793 FMPHSJUJKKAEIZ-INIZCTEOSA-N 324.403 4.619 30 20 DJED CCCc1ccc(NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1 824012900 WVOFDAXTWHNPJV-OAHLLOKOSA-N 321.424 4.736 30 20 DJED C=C1CCC(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)CC1 889532113 UXUJXSKVDGXKRR-KRWDZBQOSA-N 324.424 4.628 30 20 DJED N#C[C@@H](CCc1ccccc1)c1nc(C2CCCCCC2)no1 904688306 STXHXAQWUFRJIM-QGZVFWFLSA-N 309.413 4.747 30 20 DJED CC(C)c1ccccc1N=C1SCCCN1C(=O)CC1CC1 914710850 MQWKURGINNXEIJ-UHFFFAOYSA-N 316.470 4.563 30 20 DJED Cc1cc(C)cc(NN=Cc2cn(CCC#N)c3ccccc23)c1 916346749 SCSOITDNRGLADX-UHFFFAOYSA-N 316.408 4.618 30 20 DJED CC(=NNc1cc(C)c2ccc(C)c(C)c2n1)c1ccc(N)cc1 916543579 UBZLQDUMXDKOOT-UHFFFAOYSA-N 318.424 4.578 30 20 DJED CCC(CC)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 1124282945 LPHCHBVRLPITGQ-LBPRGKRZSA-N 318.486 4.899 30 20 DJED Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1cccc(C#N)c1C 1126065824 POGXUXDUNNMSER-HXUWFJFHSA-N 320.436 4.692 30 20 DJED CCC(C)(C)c1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1 1128724956 KVFSJGYGFIFDRL-FQEVSTJZSA-N 310.441 4.787 30 20 DJED N#CC[C@H](C(=O)Nc1ccc2c(c1)CCCCC2)c1ccccc1 1130489958 ZDRWZQNLJRHZDN-FQEVSTJZSA-N 318.420 4.591 30 20 DJED Cc1cc(Nc2cccc(Nc3ccccc3)c2)ncc1C#N 1162090905 TVMLTHMBILBQNH-UHFFFAOYSA-N 300.365 4.749 30 20 DJED Cc1cc(SCCc2ccc(C#N)cc2)nc2ccccc12 1164603360 OJFBXMQBVDGULT-UHFFFAOYSA-N 304.418 4.750 30 20 DJED CCCOc1cccc(COc2ccc(C#N)cc2Cl)c1 1165353051 CAFWQKXFQSQHKZ-UHFFFAOYSA-N 301.773 4.579 30 20 DJED N#Cc1cccnc1Nc1cccc(CCCc2ccccc2)c1 1185197446 MCNQLKGYAICOHU-UHFFFAOYSA-N 313.404 4.872 30 20 DJED CC[C@H]1CCC[C@@H]1CNc1c(Br)cccc1C#N 1186478891 IRMOHBNBCKPAST-WCQYABFASA-N 307.235 4.559 30 20 DJED C[C@H]1CCc2sc(NC(=O)CC(C)(C)C)c(C#N)c2[C@H]1C 1274493001 STYQUEGTUVWKDS-QWRGUYRKSA-N 304.459 4.680 30 20 DJED Cc1cc(C#N)ccc1CN1C[C@@H](c2ccccc2C)C[C@H]1C 1307488598 GIZYEUMTUNZRLD-XLIONFOSSA-N 304.437 4.553 30 20 DJED CCCCCCCCCCCC(=O)N1CCCN2CCC[C@H]2C1 1318203134 OSTBDTLQBSLSCY-IBGZPJMESA-N 322.537 4.604 30 20 DJED C[C@H](C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccc(Cl)cc1 1351349223 RPCQVNQSVGGVDH-JTQLQIEISA-N 319.191 4.607 30 20 DJED C[C@H](NC(=O)CC1(C#N)CCCCC1)c1cccc2ccccc12 1353596482 OMDJSAARMZLIKE-INIZCTEOSA-N 320.436 4.881 30 20 DJED N#CC1(C(=O)Nc2nc(C3CCCCC3)cs2)CCCCC1 1438469153 ULZXGSXAPDJORG-UHFFFAOYSA-N 317.458 4.603 30 20 DJED Cc1ccc([C@@H]2C[C@H](C)N(Cc3ccc(C#N)cc3C)C2)cc1 1460026990 DBKAEGADWPJWNI-LAUBAEHRSA-N 304.437 4.553 30 20 DJED C[C@H](C#N)Oc1ccccc1N[C@H](C)c1nccc2ccccc12 1461989306 QIRIQQWTEJOCLL-HUUCEWRRSA-N 317.392 4.699 30 20 DJED C[C@@H](CCC#N)CN1CC[C@@H](C)Sc2ccc(Cl)cc21 1462304029 JGVCJOCSOWHIGV-QWHCGFSZSA-N 308.878 4.971 30 20 DJED Cc1cc(C#N)cc(NC(=O)N[C@@H](C)CCC2CCCCC2)c1 1466836928 IZLCWQRCQOLFAZ-HNNXBMFYSA-N 313.445 4.737 30 20 DJED N#Cc1cnc(Nc2ccc(SC3CCCC3)cc2)c(F)c1 1472734308 FHDHNCAKXBVPMF-UHFFFAOYSA-N 313.401 4.871 30 20 DJED CCN(C[C@@H](C)CCC#N)[C@@H](Cc1ccc(F)cc1)C(C)C 1474345512 PTDUWTPJHJDKFL-LPHOPBHVSA-N 304.453 4.655 30 20 DJED C[C@@H](NC(=O)CC1(C#N)CCCCC1)c1ccc2c(c1)CCCC2 1536591437 FZXSZEIHZQTNSD-MRXNPFEDSA-N 324.468 4.607 30 20 DJED CC(C)Cc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1 1559931839 XKPWPFDLRPGUNR-QGZVFWFLSA-N 306.453 4.950 30 20 DJED Cc1cc(CSc2nc3c(cc2C#N)CCCC3)c(C)s1 1613443381 UKZCSOQOGMZQCR-UHFFFAOYSA-N 314.479 4.803 30 20 DJED CC(C)Cc1ccc([C@H](Nc2cccc(C#N)n2)C(C)C)cc1 1639204090 DYQHTOAMYVEZSI-HXUWFJFHSA-N 307.441 4.961 30 20 DJED Cc1ccccc1-c1nsc(Sc2cccc(C#N)c2)n1 1642386095 JWRPYEYDLWWIIA-UHFFFAOYSA-N 309.419 4.536 30 20 DJED CCCN(Cc1cc(C#N)ccc1OC)[C@H](CC)c1ccccc1 1644430884 UZTGLMQSIGLDGJ-HXUWFJFHSA-N 322.452 4.930 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CC[C@@](C)(CCc2ccccc2)C1 1644758918 HCDOSTLSCIMBCI-XMSQKQJNSA-N 318.464 4.964 30 20 DJED Cc1cc(Nc2cccc(Oc3ccc(C#N)cc3)c2)nc(C)n1 1651503240 JJRXANKAKVHWSD-UHFFFAOYSA-N 316.364 4.501 30 20 DJED Cc1cccc(C)c1[C@@H]1CCCN1c1ncc(C#N)cc1Cl 1652034950 UHURTLZAYRSPRU-INIZCTEOSA-N 311.816 4.565 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1ccccc1SC 1652287718 LSGPNSBKHVQGNI-UHFFFAOYSA-N 310.466 4.692 30 20 DJED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)CC1CCC1 1652791723 OAJBGKIKMRMOQS-UHFFFAOYSA-N 308.400 4.813 30 20 DJED COc1cc(C#N)ccc1CN1c2ccccc2CC[C@@H]1C(C)C 1653173276 DHCHVAWVVPUWNI-LJQANCHMSA-N 320.436 4.544 30 20 DJED CC(C)c1ccc2c(c1)[C@H](Nc1c(C#N)cccc1C#N)CC2 1655398855 JYABOKLATRZQII-LJQANCHMSA-N 301.393 4.653 30 20 DJED Cc1c(CN(CCC#N)CC2CC2)sc2c(Cl)cccc12 1657304388 NNXSAEUVZVKQEN-UHFFFAOYSA-N 318.873 4.989 30 20 DJED C[C@@H](Cc1ccc(-c2ccccc2)cc1)N[C@@H]1CC[C@H](C#N)C1 1659504149 VXBYKRKFOBWSCS-DJPFJPOOSA-N 304.437 4.566 30 20 DJED Cc1cc(F)c(C(F)(F)F)cc1N[C@H]1CCC[C@@H](C#N)C1 1659946549 NOYZUENFGCTAJH-MNOVXSKESA-N 300.299 4.647 30 20 DJED C[C@@H](CCc1ccc(Cl)s1)NCc1cc(C#N)ccc1F 1660009768 CULWFGJSCGXHNY-NSHDSACASA-N 322.836 4.523 30 20 DJED COc1cc(CNc2cc(C#N)ccc2C)cc2ccccc12 1662601446 YTTNHEJYQYUYOL-UHFFFAOYSA-N 302.377 4.641 30 20 DJED Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc(C#N)cc2)o1 121586822 KOBXMIXSUPAMGT-QGZVFWFLSA-N 323.396 4.609 30 20 DJED N#Cc1cc(F)ccc1CN[C@H](c1ccc(Cl)cc1)C1CC1 171375943 AEVPXJOKCNMPAM-SFHVURJKSA-N 314.791 4.592 30 20 DJED CCOc1ccccc1[C@H](CC(C)C)NCc1cccc(C#N)c1 236997593 ZSLCWXAGKGWMIE-FQEVSTJZSA-N 322.452 4.834 30 20 DJED CCCCCCCCC(=O)N[C@@H](c1ncccc1C)C(C)C 303666502 XSMRNNUZEXGYOY-GOSISDBHSA-N 304.478 4.954 30 20 DJED CC(C)Cc1ccc([C@@H](C)Nc2ccc(OCC#N)cc2)cc1 319912458 AYAGJJOLDQGWEI-MRXNPFEDSA-N 308.425 4.961 30 20 DJED CC(C)c1nnc(CS[C@@H](C)c2cccc(C#N)c2)s1 419465680 PJWZEJFUEXCLDP-NSHDSACASA-N 303.456 4.528 30 20 DJED COc1cc(SC)ccc1NCc1ccc(Cl)cc1C#N 447024504 XXFKWFKOALWHHI-UHFFFAOYSA-N 318.829 4.554 30 20 DJED CC#CCCCC(=O)N(C1CC1)[C@@H](C)c1ccc(Cl)cc1 464442874 PUOATKPOANVGBM-AWEZNQCLSA-N 303.833 4.586 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1cc2cc(C)ccc2s1 464458353 IGSNRRRGMZGCGD-UHFFFAOYSA-N 314.454 4.754 30 20 DJED C=CCCC1(C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 466571969 GVJAWKNMMUSBRY-UHFFFAOYSA-N 302.176 4.817 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccc2occ(C)c2c1 482554798 MUCMGHAFOIROLE-UHFFFAOYSA-N 320.392 4.961 30 20 DJED CC(C)Oc1ccc(/C=C\c2nc3ccccc3n2CC#N)cc1 486100586 FZHJJBSURHLBAV-XFXZXTDPSA-N 317.392 4.517 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@@H]1C=CCCC1 487759042 JERKNUFBULZQHV-CYBMUJFWSA-N 309.862 4.663 30 20 DJED C=CCN(Cc1csc([C@H](C)OCC)n1)CC1CCCCC1 523019118 OYMWJYGPKPRMJQ-HNNXBMFYSA-N 322.518 4.809 30 20 DJED CC(C)(C)CN(CCC#N)Cc1csc(C2CCCCC2)n1 524811495 LOKXSJCLQYNWIK-UHFFFAOYSA-N 319.518 4.953 30 20 DJED Cc1cc([C@H](N[C@@H](C)c2cccc(C#N)c2)C2CC2)ccc1F 538408640 JWTOBICVHDVWGJ-VBKZILBWSA-N 308.400 4.808 30 20 DJED C[C@H]1CCC[C@H](c2noc(CSc3ccc(C#N)cc3)n2)C1 544228527 GKLITPMHDBNTBL-JSGCOSHPSA-N 313.426 4.527 30 20 DJED N#C[C@@H]1CC[C@H](N[C@H](c2c(Cl)cccc2Cl)C2CC2)C1 549717880 JLBLABXUEUYOKL-XAGWURHQSA-N 309.240 4.726 30 20 DJED CC[C@@](C)(C#N)C(=O)Nc1cc(-c2ccccc2)ccc1Cl 552219079 FNAUXIWZUCPGOK-SFHVURJKSA-N 312.800 4.885 30 20 DJED N#Cc1ccnc(N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 553544398 XLSVKGFYDCNBHH-JOCQHMNTSA-N 318.207 4.618 30 20 DJED C[C@@H](N[C@H](C)c1ccc(C#N)cc1F)c1cccc(C2CC2)c1 556173079 JYOQBFBAINYCSV-ZIAGYGMSSA-N 308.400 4.987 30 20 DJED CCOc1ccccc1[C@H](CC)N[C@@H]1CCc2ccc(C#N)cc21 574489891 YXGFMPKUWJBKCO-VQTJNVASSA-N 320.436 4.685 30 20 DJED Cc1cc(C)cc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c1 574661670 XOLBKXDOMUHEBK-HRAATJIYSA-N 304.437 4.903 30 20 DJED CC(C)Oc1cccc([C@@H](C)N[C@@H]2CCc3ccc(C#N)cc32)c1 576197500 HICMKXHZAYEHBV-QVKFZJNVSA-N 320.436 4.684 30 20 DJED C=CCC[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccco1 586794262 FRFJFITVTNLHHH-INIZCTEOSA-N 300.789 4.602 30 20 DJED C=CCCC(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 588029015 HKPYDOCUKWQTFH-MRXNPFEDSA-N 305.830 4.573 30 20 DJED N#CCCCCCC(=O)Nc1ccccc1COc1ccccc1 588153401 LXXYYTSHFCBECX-UHFFFAOYSA-N 322.408 4.678 30 20 DJED O=C(/C=C\c1cccc(-c2cccnc2)c1)c1cccc(F)c1F 588386854 DJERDTSTCXKBKO-KTKRTIGZSA-N 321.326 4.923 30 20 DJED CC(C)CCOc1ccc(NC(=O)CCCCCC#N)c(F)c1 594197388 AFYPAVUSXKNULF-UHFFFAOYSA-N 320.408 4.663 30 20 DJED CCCN(Cc1ccc(C)cc1)C(=O)Nc1cccc(C#N)c1C 610905608 ULAMUFBZALYLCW-UHFFFAOYSA-N 321.424 4.619 30 20 DJED N#Cc1ccc(CNC2(c3ccc(F)cc3)CCC2)c(Cl)c1 615226123 NBMNDAAWRCSKIO-UHFFFAOYSA-N 314.791 4.520 30 20 DJED C=CC[C@H]1CCCN(C(=O)Nc2c(C)cccc2C(C)C)C1 665163921 SVTKFMGVBKFTRF-INIZCTEOSA-N 300.446 4.938 30 20 DJED O=C1/C(=C\C2=Cc3ccccc3OC2)CSc2c(F)cccc21 726744258 YQNSKMSJMZRCDY-ZROIWOOFSA-N 324.376 4.517 30 20 DJED CCCCCC[C@@H](CC)C(=O)N[C@@H](C)c1ccc(C#N)cc1 735000146 ZUHHDALYBZTLCH-DOTOQJQBSA-N 300.446 4.732 30 20 DJED CCCCCCCCC(=O)NC(C)(C)c1nc(C)c(C)s1 736515375 SKWFJTICOVORAP-UHFFFAOYSA-N 310.507 4.862 30 20 DJED N#Cc1ccc(F)c(CNCc2ccc(-c3ccccc3)cc2)c1 742381052 NQZSCCCMCDXRED-UHFFFAOYSA-N 316.379 4.654 30 20 DJED CC(=NNc1ncnc2sc(C)c(C)c12)[C@@H](C)c1ccccc1 746370902 PTFOJGRCIMOXBE-LLVKDONJSA-N 324.453 4.900 30 20 DJED N#Cc1cc2ccccc2nc1N1CCC[C@@H]1c1ccsc1 750016057 HNTZUYBGJHWHGA-QGZVFWFLSA-N 305.406 4.509 30 20 DJED CC(=NNc1ccc(F)cc1C)c1sc(C(C)C)nc1C 750938203 DLPHKATXWRYBOI-UHFFFAOYSA-N 305.422 4.859 30 20 DJED Cc1ccc(-c2ccc(C(=O)OCC3(C#N)CCC3)c(F)c2)cc1 768079182 RKXQNDWSNSMZSI-UHFFFAOYSA-N 323.367 4.652 30 20 DJED FC(F)C1CC(Nc2ccc(C(F)(F)C(F)(F)F)cc2)C1 770665433 CBUHJNZKWTTYPS-UHFFFAOYSA-N 315.232 4.796 30 20 DJED C[C@H](C#N)COC(=O)c1sc2cc(Cl)ccc2c1Cl 770929837 AMRIMUADGAJWLM-SSDOTTSWSA-N 314.193 4.525 30 20 DJED Cc1ccc([C@@H](C)C(=O)Nc2cc(C(C)(C)C)sc2C#N)o1 774162754 HDYXMCNQWQFDJD-LLVKDONJSA-N 316.426 4.561 30 20 DJED C#CC[C@@H](NCc1c(C)cc(C)c(C(C)=O)c1C)c1ccccc1 775401210 WPQDYVLIDXESIX-OAQYLSRUSA-N 319.448 4.669 30 20 DJED O=C(/C=C/c1cc2cc(F)ccc2o1)c1cccc(F)c1F 776268545 SBEUPHJOLZAUSC-AATRIKPKSA-N 302.251 4.746 30 20 DJED COc1ccc(/C=C\C(=O)c2ccccc2Cl)c(Cl)c1 796968736 BXMNVQZKKBACIG-CLFYSBASSA-N 307.176 4.898 30 20 DJED N#CC1(CCSc2nc3cnccc3s2)CCCCC1 863360514 RPGVZFQOAHTKHL-UHFFFAOYSA-N 303.456 4.648 30 20 DJED C[C@H](Nc1cccc(F)c1C#N)c1cccc(OC(F)(F)F)c1 864011038 QYAYFHRHNYBAIK-JTQLQIEISA-N 324.277 4.769 30 20 DJED CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cc(F)ccc1OC 903370977 MIDKCBHETHDIBG-SCLBCKFNSA-N 312.388 4.508 30 20 DJED C[C@H](SCc1ccccc1C#N)c1nccn1-c1ccccc1 1117540151 QMWODGRJINWQRM-HNNXBMFYSA-N 319.433 4.738 30 20 DJED CC(C)c1ccc2c(c1)CN(C(=O)CC1(C#N)CCCCC1)CC2 1130665217 LJSVJUJNBHMASW-UHFFFAOYSA-N 324.468 4.559 30 20 DJED Cc1nsc(Oc2ccc3c(c2)[nH]c2ccccc23)c1C#N 1161923462 CZPAYGJLDIAOGX-UHFFFAOYSA-N 305.362 4.750 30 20 DJED C[C@@H](NCc1ccc(C#N)c(Cl)c1)[C@H]1CC2CCC1CC2 1181163585 RXRLPTCVKDRJMI-ZHOLYQSMSA-N 302.849 4.516 30 20 DJED CC(=O)c1ccc(Cl)cc1OCc1ccc(Cl)cc1C#N 1189567065 MHIFWVIGQOJYGO-UHFFFAOYSA-N 320.175 4.647 30 20 DJED CC(C)CCN(CCC#N)Cc1csc(C(F)(F)F)c1 1204497495 PTNJHNAQSRQKRA-UHFFFAOYSA-N 304.381 4.529 30 20 DJED C[C@H]1[C@H](C)CCC[C@H]1Nc1c(C#N)cnc2c(Cl)cccc12 1306915799 NPLARKGFDMEDDH-BFQNTYOBSA-N 313.832 4.996 30 20 DJED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)C1CCC(F)(F)CC1 1308826746 XWGVVYJZTSNBHI-UGSOOPFHSA-N 318.411 4.739 30 20 DJED N#Cc1cccc(-c2nnc(-c3cc4c(s3)CCCCC4)o2)c1 1322454028 RNNWORPQQVSTFT-UHFFFAOYSA-N 321.405 4.606 30 20 DJED CCCCCCCCCCC(=O)N1CC[C@@H]2OCCC[C@@H]2C1 1333757084 LKLIFWSCULXZQR-MSOLQXFVSA-N 309.494 4.545 30 20 DJED C=CCC[C@@H]1CCCN1C(=O)Nc1ccccc1C(C)(F)F 1345334622 FWGDWDFOPFEIRC-CYBMUJFWSA-N 308.372 4.761 30 20 DJED CC[C@H](C)c1ccc([C@@H](NC(=O)CC(C)(C)C#N)C(C)C)cc1 1348940589 UVKLJPYVMQMDFG-KXBFYZLASA-N 314.473 4.953 30 20 DJED CCCCc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 1354788305 VIPQUFHLOQWTEL-UHFFFAOYSA-N 312.800 4.807 30 20 DJED CCC(C#N)(CC)C(=O)NCc1ccc(C2CCCCC2)cc1 1523104338 DEYUPQDXNCHYJO-UHFFFAOYSA-N 312.457 4.680 30 20 DJED N#Cc1c(F)cccc1SCc1ccccc1OC(F)F 1559418672 JYHVPZXCVOGNDF-UHFFFAOYSA-N 309.312 4.591 30 20 DJED C[C@@H]1CC(C(=O)N(c2ccc(C#N)cc2)C2CCC2)C[C@@H](C)C1 1588022186 NMIHQCIDDSCBIE-GJZGRUSLSA-N 310.441 4.516 30 20 DJED Cc1ccc(C2(CNc3cccc(F)c3C#N)CCC2)cc1C 1612325106 WDOXTSQQSLJFTH-UHFFFAOYSA-N 308.400 4.848 30 20 DJED N#CCC1(CN2CCC[C@@H]2c2ccccc2C(F)(F)F)CC1 1620538222 RHYZGGQCLGEWFN-OAHLLOKOSA-N 308.347 4.536 30 20 DJED Cc1cc(N2CCC[C@@H]2c2cccc3ccccc23)ncc1C#N 1642131626 RCRDFOCKYWMIPQ-HXUWFJFHSA-N 313.404 4.756 30 20 DJED Cc1ccc([C@@H]2C[C@@H](C)N(Cc3ccc(Cl)cc3C#N)C2)cc1 1642921971 TUFRTRSXXWUTFA-DNVCBOLYSA-N 324.855 4.898 30 20 DJED CC(C)(C)[C@H]1Cc2ccccc2N(Cc2ccc(F)c(C#N)c2)C1 1644144137 GOGCGXCETDJRSD-SFHVURJKSA-N 322.427 4.922 30 20 DJED Cc1cc(N[C@H]2C[C@]2(C)C(C)C)n2c(nc3ccccc32)c1C#N 1651128366 BBLHLKCLNUQBQD-FXAWDEMLSA-N 318.424 4.514 30 20 DJED Cc1cc(Sc2nc(-c3ccccc3)ns2)ccc1C#N 1651168975 OZKAAYIIBPUWMB-UHFFFAOYSA-N 309.419 4.536 30 20 DJED Cc1cc(CN[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)ccc1C#N 1651227850 NOWMPJAJNCZQJD-XLIONFOSSA-N 324.855 4.946 30 20 DJED C=C(Br)CN[C@H](CC(C)C)c1ccc(Cl)cc1 1653929836 VOOLHTBIPMSRSS-CQSZACIVSA-N 316.670 4.925 30 20 DJED CCC(CC)(CNCc1cc(C#N)cs1)c1ccc(F)cc1 1657724024 IBNLZHSPUKSQSY-UHFFFAOYSA-N 316.445 4.606 30 20 DJED CC(C)C[C@@]1(C)CCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 1667341389 FSSMGOABOAMCLC-QGZVFWFLSA-N 319.836 4.644 30 20 DJED C=C(C)CN(CC)C(=O)c1ccc(-c2ccc(F)cc2)s1 22336252 AIRLBEPLORKEIU-UHFFFAOYSA-N 303.402 4.592 30 20 DJED Cc1ccc(Cl)cc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 122066667 XAPWAYKRUPANBL-UHFFFAOYSA-N 312.800 4.702 30 20 DJED CCCCCCC[S@@](=O)Cc1csc(-c2ccco2)n1 132669706 ZNYUWISEBFALJU-FQEVSTJZSA-N 311.472 4.622 30 20 DJED C=C[C@H](CC(=O)N[C@@H](c1ncccc1C)C(C)C)c1ccccc1 134873317 ABUAUTDAHBRTEF-YLJYHZDGSA-N 322.452 4.563 30 20 DJED C[C@H](NCc1cccc(COC(C)(C)C)c1)c1cccc(C#N)c1 181654402 WIKPTZAMPCDDMC-INIZCTEOSA-N 322.452 4.724 30 20 DJED CCOc1cccc(C=Nc2cccc(C(F)(F)F)c2)c1O 254760422 YCDRJSZKJCYFOR-UHFFFAOYSA-N 309.287 4.560 30 20 DJED C=CCOc1ccccc1CN[C@H](C)c1ccc(SC)cc1 315510264 SVTDQXKPZDCJIW-OAHLLOKOSA-N 313.466 4.824 30 20 DJED CCCc1ccccc1N/C(O)=N/[C@@H]1CCO[C@H](CC(C)C)C1 330687271 BTXAOOBPQTWEIB-IAGOWNOFSA-N 318.461 4.559 30 20 DJED N#CCCCOc1cccc(NCc2cnc3ccccc3c2)c1 355299032 OKIAQVSLEWPAFG-UHFFFAOYSA-N 317.392 4.529 30 20 DJED N#Cc1ccccc1N(Cc1ccco1)C(=O)CC1=CCCCC1 358698953 XYEYMELZECJIJV-UHFFFAOYSA-N 320.392 4.575 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cc(Cl)ccc1F 418148030 SHKPSFSIQGFKFS-SFHVURJKSA-N 314.791 4.518 30 20 DJED C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N(C)CC(C)(C)C#N 433311603 MYDHTMUJNSDLLN-GFCCVEGCSA-N 317.820 4.538 30 20 DJED N#C[C@@H]1CCC[C@@H](N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 436299662 GXFAXILRAJUTQL-ODVANORSSA-N 322.374 4.623 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CCC[C@H]1c1cccc(N(C)C)c1 441486565 NLYXZSLEKCAHCN-IERDGZPVSA-N 319.452 4.522 30 20 DJED CC(C)Oc1cccc(CN(C)[C@@H](C)c2cccc(C#N)c2)c1 442669525 BQEJMVMISMXMLD-INIZCTEOSA-N 308.425 4.538 30 20 DJED C[C@@H](c1ccco1)N(Cc1ccc(Cl)cc1C#N)C1CC1 480879262 KYRLOYCNNVPXHY-LBPRGKRZSA-N 300.789 4.530 30 20 DJED N#Cc1cccnc1/C=C/c1ccc(-c2cccc(F)c2F)o1 486052700 KDCUVEZURIHVGV-SOFGYWHQSA-N 308.287 4.662 30 20 DJED Cc1ccc(C)c(NCc2cc(C#N)ccc2Br)c1 492610537 WYMVEBAESQNQAL-UHFFFAOYSA-N 315.214 4.550 30 20 DJED C[C@H](NC(=O)CC(C)(C)C#N)c1ccc(Oc2ccccc2)cc1 493950451 PDFMRDNFYIPCLO-HNNXBMFYSA-N 322.408 4.596 30 20 DJED C=CCCC(=O)Nc1ccccc1Nc1ccc(F)cc1F 494111568 KRSDTDZFOUQTET-UHFFFAOYSA-N 302.324 4.613 30 20 DJED C=CCCC[C@H](C)NC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 507478808 RHJMMKWXOMFWBY-PWIZWCRZSA-N 324.468 4.761 30 20 DJED N#CCCCCSCc1cc(Br)cc(F)c1F 565055055 UCVJWHKDGVPOIN-UHFFFAOYSA-N 320.202 4.654 30 20 DJED CCN(C(=O)c1cccc(C2CC2)c1)c1ccc(C#N)c(Cl)c1 568530254 TYVXQRXTOYHMHL-UHFFFAOYSA-N 324.811 4.756 30 20 DJED Cc1cc(Cl)c(NC(=O)N2CCC(CCC#N)CC2)cc1C 584528357 QVQRMLKQBBQVDA-UHFFFAOYSA-N 319.836 4.505 30 20 DJED CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCCCCC#N)o1 588628955 ZEISACAQBBXNKD-RDJZCZTQSA-N 316.445 4.616 30 20 DJED c1ccc([C@H]2CCCCC2=NNc2nncc3ccccc23)cc1 725720349 YCYHGESPAMIGCW-QGZVFWFLSA-N 316.408 4.756 30 20 DJED FC(F)(F)c1cccc(NN=C2CCCOc3ccccc32)c1 728427288 MLSWJTJPCIBPKY-UHFFFAOYSA-N 320.314 4.694 30 20 DJED CC(C)c1ccc(C(=O)/C=C\c2ccc(O[C@H](C)C#N)cc2)cc1 728699702 IPLSPCKQCPUXLC-ORDXOSSNSA-N 319.404 4.997 30 20 DJED CCn1cc(/C=C/C(=O)c2cc3c(ccc4ccccc43)o2)cn1 732529054 MCJMGIMQGYBTTN-VQHVLOKHSA-N 316.360 4.699 30 20 DJED CC(C)(C#N)CCCN1CCC[C@@H]1COc1ccc(Cl)cc1 746655752 QDICBBLKJQDFMY-MRXNPFEDSA-N 320.864 4.513 30 20 DJED N#C[C@@H]1CCC[C@@H](Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 765942053 UTTJGFVXPPHNKJ-HUUCEWRRSA-N 312.413 4.612 30 20 DJED CC(C)c1ccc(CN(C)Cc2ccc(O[C@@H](C)C#N)cc2)cc1 768172595 QZGQDJZSSQZICZ-KRWDZBQOSA-N 322.452 4.733 30 20 DJED C/C=C\c1ccc(Oc2nc(Cl)c(C#N)s2)c(OC)c1 804324222 ZBGGAHVQVMFCDC-ARJAWSKDSA-N 306.774 4.502 30 20 DJED Cc1ccc(-c2ccc(/C=C\C(=O)c3ccnc(O)c3)s2)cc1 806555317 BMEWVONWQPGNMF-VURMDHGXSA-N 321.401 4.720 30 20 DJED CCC(=NNc1nccnc1C1CCC1)c1ccc(Cl)cc1 807994416 RLOPQIQLUGQTMN-UHFFFAOYSA-N 314.820 4.624 30 20 DJED C[C@@H](C#N)Oc1ccc(CN2C[C@H](C)C[C@@H]2c2ccccc2)cc1 809715477 INGGUGVLZGCSII-LLGFUMIMSA-N 320.436 4.561 30 20 DJED N#CCOc1ccc(C(=O)/C=C/c2csc3ccccc23)cc1 810216287 HGOFSNAOBCNQTH-JXMROGBWSA-N 319.385 4.700 30 20 DJED Cc1cc(C)c([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c(O)c1 841761332 IIRDCPIWBUCWJC-KXBFYZLASA-N 320.436 4.609 30 20 DJED CCCC(C)(C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 845451661 OWUAODTZDVGPGY-LLVKDONJSA-N 320.845 4.952 30 20 DJED O=C(/C=C\c1cccnc1)c1ccc(Oc2ccccc2)c(F)c1 917145262 WZCHNAOPVGCSLQ-NTMALXAHSA-N 319.335 4.909 30 20 DJED CC(CCc1cccc(F)c1)=NNc1nc2ccccc2s1 920357083 SVYKACRCTDGWJP-UHFFFAOYSA-N 313.401 4.856 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] 921261922 LPPZEDMGUPCNMR-DAXSKMNVSA-N 319.719 4.592 30 20 DJED N#Cc1cc(CSc2nc3ccc(F)cc3s2)ccc1F 1190089789 XBDUFULEQLJPNW-UHFFFAOYSA-N 318.373 4.738 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCC[C@H]1c1cccc(F)c1 1190426232 DSVGPUWZVPFGLK-SFHVURJKSA-N 314.791 4.688 30 20 DJED CC(C)C[C@H](C)OC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 1208622602 JBNIWGLJHKKJRV-INIZCTEOSA-N 316.445 4.587 30 20 DJED N#C[C@@H]1CCC[C@@H](OC(=O)c2cc3cc(Cl)ccc3s2)C1 1275465053 RKZWRVVGLKCTFV-ZWNOBZJWSA-N 319.813 4.794 30 20 DJED C[C@@H](C1CCCCC1)N(C)C(=O)Nc1ccc(C#N)c(Cl)c1 1310044319 PDIRHRLDUNEICL-LBPRGKRZSA-N 319.836 4.644 30 20 DJED CCCc1ccc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 1473180896 PUGOUXZGCTVAJK-FCHUYYIVSA-N 318.464 4.911 30 20 DJED C[C@H](NC(=O)CC1(C#N)CCCCC1)c1ccc2c(c1)CCCC2 1521792487 FZXSZEIHZQTNSD-INIZCTEOSA-N 324.468 4.607 30 20 DJED C[C@@H]1CCc2sc(NC(=O)C3CCCCC3)c(C#N)c2[C@@H]1C 1534584120 QMTLSDILUXVKQM-VXGBXAGGSA-N 316.470 4.824 30 20 DJED CCC[C@H](CC(C)C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 1536557541 MIMOIZICXLCIPC-MJGOQNOKSA-N 312.457 4.514 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1NC[C@H]1Cc2ccccc21 1611840086 YSQNPRBQMFVWBA-CYBMUJFWSA-N 319.795 4.512 30 20 DJED Cc1ccc(C[C@H](C)N(C)Cc2ccc(Cl)cc2C#N)cc1 1615584569 UMJIYIXUHJFUSY-HNNXBMFYSA-N 312.844 4.583 30 20 DJED C[C@@H](Cc1ccc(C(F)(F)F)cc1)Nc1cccc(C#N)c1 1621218437 HDNUKRMEJIEWDK-LBPRGKRZSA-N 304.315 4.620 30 20 DJED Cc1cc(NC[C@H]2CC[C@@H](C)C2)n2c(nc3ccccc32)c1C#N 1639868057 MDZRHLRXJQUCIL-HIFRSBDPSA-N 318.424 4.516 30 20 DJED N#Cc1nc(N[C@@H]2CCC[C@@H](c3ccccc3)C2)sc1Cl 1642666339 CKASTPIVMFCBNR-CHWSQXEVSA-N 317.845 4.806 30 20 DJED N#Cc1cccc(C2(NCc3ccc(C4CCCC4)cc3)CC2)c1 1643060458 ROGQBVJEGWCRFX-UHFFFAOYSA-N 316.448 4.995 30 20 DJED CC[C@@H]1CCC[C@H]1NCc1ccc(-c2ccccc2C#N)cc1 1645283579 YDWAJCAZANJKJS-DYESRHJHSA-N 304.437 4.894 30 20 DJED CCCCc1ccc([C@@H](Nc2nc(C)cc(C#N)n2)C(C)C)cc1 1651320927 HTKCKWCOHYKPMJ-IBGZPJMESA-N 322.456 4.809 30 20 DJED CC[C@@H](CN(CC)Cc1cccc(C#N)c1F)c1ccccc1 1653348515 DPIJEEBWOBKDLU-INIZCTEOSA-N 310.416 4.713 30 20 DJED C=C(Cl)CN1CCC[C@@H]1c1ccc(Br)c(C)c1 1654303458 STFTUOANVBZRBF-CQSZACIVSA-N 314.654 4.647 30 20 DJED C[C@@H](Sc1ncc(-c2ccccc2)[nH]1)c1cccc(C#N)c1 1656215371 LHVSKLBIQWQMDA-CYBMUJFWSA-N 305.406 4.802 30 20 DJED Cc1c(C#N)cccc1NCc1cccc(OC2CCCC2)c1 1656344939 GDULXKLKNQJIJP-UHFFFAOYSA-N 306.409 4.800 30 20 DJED CC1(C)CCC[C@@H](CN2CCC(c3ccc(C#N)cc3)CC2)C1 1660792440 HPKVMSPWUUGIPS-GOSISDBHSA-N 310.485 4.954 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1)c1cc(F)c(Cl)cc1Cl 37488222 SEIVRRQAILHKID-SNVBAGLBSA-N 323.198 4.855 30 20 DJED Cc1c(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)oc2ccccc12 80459028 MQIVHJAJGKJUPY-ZDUSSCGKSA-N 324.405 4.811 30 20 DJED CC(C)Cc1ccc([C@H](C)NCc2cccc(OCC#N)c2)cc1 124418077 BLMQMIDLVZZSRV-KRWDZBQOSA-N 322.452 4.638 30 20 DJED C=CCN(Cc1cccs1)C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 248193666 NIAXBTMHFRWPIW-HOTGVXAUSA-N 303.471 4.501 30 20 DJED C[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)c1cccc(C#N)c1 301731879 SVIJMRIHVWGTRD-LLVKDONJSA-N 315.298 4.622 30 20 DJED C[C@H](Sc1nc2cc(F)c(F)cc2[nH]1)c1ccc(C#N)cc1 303736700 XKCAECQJYKIUBG-VIFPVBQESA-N 315.348 4.566 30 20 DJED CC/C(O)=N/[C@H](/C(O)=N/[C@@H]1CC12CCCCC2)c1ccccc1 329106824 HRMFFGMCORALGE-WBVHZDCISA-N 314.429 4.774 30 20 DJED C[C@H](c1c(F)cccc1F)N(C)Cc1ccc(C#N)cc1Cl 439449165 IFZSBVIROOARCE-LLVKDONJSA-N 320.770 4.683 30 20 DJED CC[C@H](NCc1ccccc1OCC1CC1)c1ccc(C#N)cc1 447538795 DIIYRNJCPFZICN-FQEVSTJZSA-N 320.436 4.588 30 20 DJED CC[C@@H](Nc1cccc(NC(=O)C(C)C)c1)c1ccc(C#N)cc1 447588684 VVXIUBXEJKVYQH-LJQANCHMSA-N 321.424 4.716 30 20 DJED N#C[C@@H]1CCC[C@@H](Nc2cccc(COc3cccc(F)c3)c2)C1 447591486 IHQTZAFLJIBXQG-CRAIPNDOSA-N 324.399 4.899 30 20 DJED CC[C@H](Nc1cnn(CCC(C)C)c1C)c1ccc(C#N)cc1 447601880 QPVITYJHTIUJDA-SFHVURJKSA-N 310.445 4.673 30 20 DJED N#C[C@@H]1CCC[C@@H](N[C@H](c2cccc(F)c2)C2CCCC2)C1 463247110 UWSANVYQVLVENJ-ZMYBRWDISA-N 300.421 4.729 30 20 DJED CCCC[C@H](CC)C(=O)N(CCC#N)c1ccc(OCC)cc1 497825164 ZMYLRJSULRCYKK-INIZCTEOSA-N 316.445 4.548 30 20 DJED CCCN(C(=O)c1ccc(C#N)cc1)[C@@H](CC)c1ccccc1 499126658 HPYNKCXFKBPZQJ-IBGZPJMESA-N 306.409 4.562 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H](C)CC1CCCC1 510473730 BMLCYVWCCDIARM-AWEZNQCLSA-N 314.429 4.500 30 20 DJED C[C@@H](SCCCCC1CCOCC1)c1cccc(C#N)c1 512376703 BTOPZAHPGALSQT-OAHLLOKOSA-N 303.471 4.949 30 20 DJED CC(C)Oc1cccc(CSCc2ccc(C#N)cc2F)c1 515721598 XEEHOYZLYITNMQ-UHFFFAOYSA-N 315.413 4.918 30 20 DJED CCC(CC)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 521810881 IOMJEINBXAYASJ-UHFFFAOYSA-N 323.396 4.661 30 20 DJED C=CCCC(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 522596269 XQTAOYUHYFSFLN-QAPCUYQASA-N 301.430 4.687 30 20 DJED C=CCOc1ccc(CN[C@@H](C)c2ccccc2OCC)cc1 552090479 LHGITTRSUASPCK-INIZCTEOSA-N 311.425 4.501 30 20 DJED C[C@H](c1ccc(C(C)(C)C)cc1)[S@](=O)CCC(C)(C)C#N 558468714 SNOBHJMUBGPMDD-SPLOXXLWSA-N 305.487 4.734 30 20 DJED C[C@H](CNc1ccc(CC#N)cc1)c1ccc(C(F)(F)F)cc1 576016116 GOUKXKBNJQGPEI-CYBMUJFWSA-N 318.342 4.987 30 20 DJED CC(C)CCc1ccc(NC(=O)NCC(C)(C)CCC#N)cc1 576726440 BBTFOOOEUNUNKJ-UHFFFAOYSA-N 315.461 4.727 30 20 DJED CC(C)Sc1ccc(C(=O)Nc2ccccc2CC#N)cc1 579878733 LNQLUCRQBSVPRL-UHFFFAOYSA-N 310.422 4.505 30 20 DJED C=CCCc1ccccc1NC(=O)N1CC2(CCC2)[C@H]1C1CC1 580017195 RSSAAFSLGZAHDP-GOSISDBHSA-N 310.441 4.602 30 20 DJED C=CCOc1cccc(NC(=O)C[C@H](C)c2cccc(F)c2)c1 604704144 VCKHGZCBPMQOEN-AWEZNQCLSA-N 313.372 4.523 30 20 DJED C=CCn1c(S[C@@H]2CCC[C@H](C)C2)nnc1-c1ccoc1C 605076195 PPMSGCMQODGZJF-GXTWGEPZSA-N 317.458 4.703 30 20 DJED C=CCCCCCN(C)C(=O)C1(c2ccc(Cl)cc2)CC1 606816899 WWTCJRFHRXTGLR-UHFFFAOYSA-N 305.849 4.576 30 20 DJED CC(C)CC[C@H]1CCCC1=NNc1oc(C(C)C)nc1C#N 727257579 SPQKAAHYTLIQJF-CYBMUJFWSA-N 302.422 4.674 30 20 DJED CCC(Cc1ccc(Cl)cc1Cl)=NNc1ccc(C)nn1 730950209 AFUONEURQZNKBZ-UHFFFAOYSA-N 323.227 4.512 30 20 DJED C#Cc1cccc(NC(=S)N(C)[C@H](c2ccccc2)C(C)C)c1 732927300 SAHJILISILGNIT-IBGZPJMESA-N 322.477 4.694 30 20 DJED CC(C)(C)c1ncc(/C=C2/Cc3cc(Cl)ccc3C2=O)s1 742436968 HRURFUVTOCXAEU-FLIBITNWSA-N 317.841 4.916 30 20 DJED CC(C)C(Cc1ccc(F)cc1)=NNc1ccc(Cl)nc1 743450880 SLCFIDUJMCQBJF-UHFFFAOYSA-N 305.784 4.541 30 20 DJED C[C@@H]1Sc2sccc2C(=O)/C1=C/c1ccc(F)c(C#N)c1 770571185 BYAXISTXLCRSMS-PBJWJZLWSA-N 315.394 4.519 30 20 DJED Cc1ccc(C(=O)/C=C\c2cscc2Cl)cc1[N+](=O)[O-] 771846442 NCJGPKIPIGDFOW-PLNGDYQASA-N 307.758 4.514 30 20 DJED CC(=NNc1nccnc1C(C)C)C(C)(C)c1ccc(F)cc1 773090926 KSPIOPDSXKHYBN-UHFFFAOYSA-N 314.408 4.505 30 20 DJED C#CC[C@H](N[C@@H](CC)c1cc(C)ccc1OC)c1ccccc1 773116314 QYTBVQLHPWXMMR-PMACEKPBSA-N 307.437 4.809 30 20 DJED CSCc1cccc(N[C@@H](C)c2ccc(OCC#N)cc2)c1 777687514 JVMCMGBIZDOKBQ-AWEZNQCLSA-N 312.438 4.625 30 20 DJED Cc1cccc(F)c1CN[C@H]1CCCCc2cc(C#N)ccc21 795797453 VCYLBTGGSJROMD-FQEVSTJZSA-N 308.400 4.563 30 20 DJED COC[C@@H](/N=C\c1cc(Cl)ccc1O)c1cccc(Cl)c1 809144261 IYOVPMIFFFYKJY-HBFFOVPNSA-N 324.207 4.506 30 20 DJED C#Cc1ccc(CN[C@H](c2ccc(F)cc2)c2cccs2)cc1 809601424 ACRAPXPJBSFBEI-HXUWFJFHSA-N 321.420 4.748 30 20 DJED CC(=NNC1CCCC1)c1sc(-c2ccccc2F)nc1C 814832985 SPNAFLYNPOIDLG-UHFFFAOYSA-N 317.433 4.514 30 20 DJED CC(=NNc1ccc(C(F)(F)F)cn1)c1cc2ccccc2o1 915917751 MNCUMWALZYWQIY-UHFFFAOYSA-N 319.286 4.683 30 20 DJED CCCCCCCCC(=O)NCc1ccccc1N1CCCC1 918705761 ISXNJZNHURUDRB-UHFFFAOYSA-N 316.489 4.654 30 20 DJED C=CCOc1ccc(CN[C@H]2C[C@H](C)c3c(C)ccc(O)c32)cc1 1117112316 HJEAFKIDENMEIQ-YJBOKZPZSA-N 323.436 4.604 30 20 DJED CCCCCCCCc1nnc(-c2c(C)nc3ccccn23)o1 1117185326 GJUKAHMDUMXOJO-UHFFFAOYSA-N 312.417 4.596 30 20 DJED CC1(C)CCC(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1124359429 JPMNOVLBWYGUNP-UHFFFAOYSA-N 304.821 4.757 30 20 DJED N#Cc1ccc(Cl)cc1OCc1csc(C2CCCC2)n1 1165849856 BMNFNNHPWJIYNU-UHFFFAOYSA-N 318.829 4.905 30 20 DJED CC[C@H](C)c1ccc([C@H](Nc2ccc(C#N)nn2)C(C)C)cc1 1184667047 SFRLDZHGSNYKQJ-IFXJQAMLSA-N 308.429 4.671 30 20 DJED COc1ccc2cc([C@@H](C)Sc3cccnc3C#N)ccc2c1 1189338863 UAYRRSLHXNCJPT-CYBMUJFWSA-N 320.417 4.968 30 20 DJED N#Cc1ccc(CN[C@H]2CCCC[C@H]2Cc2ccccc2)s1 1307709359 PYTFQIZHIHWNON-LPHOPBHVSA-N 310.466 4.511 30 20 DJED N#Cc1cccc(C2(NCCc3ccc4ccccc4c3)CC2)c1 1307760932 ALYWIODTDNDNRJ-UHFFFAOYSA-N 312.416 4.533 30 20 DJED CCC(CC)(c1ccccc1)c1nnc(-c2ccc(C#N)cc2)o1 1322894060 NWODEWYYLMPEFQ-UHFFFAOYSA-N 317.392 4.714 30 20 DJED CC[C@@H](Sc1ccccc1)c1nnc(-c2cccc(C#N)c2)o1 1341640389 MBXZCCLHISGWDP-MRXNPFEDSA-N 321.405 4.852 30 20 DJED Cc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(C#N)cc1F 1435140209 WJTABLHOLCENBD-IBGZPJMESA-N 324.399 4.523 30 20 DJED Cc1nsc(N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)c1C#N 1458438619 DJEGSFZWYAXRFY-TZMCWYRMSA-N 317.845 4.725 30 20 DJED Cc1cc(C)c2nc(N[C@@H](C)c3cccc(C#N)c3)sc2c1 1458601096 YLRSXHSQDNOMNQ-ZDUSSCGKSA-N 307.422 4.958 30 20 DJED CCSc1ccccc1CN(Cc1ccc(C#N)cc1)C1CC1 1459820053 PXMZCDCLIQVRFX-UHFFFAOYSA-N 322.477 4.835 30 20 DJED C[C@H]1C[C@@H](CC(=O)N2CCCc3cc(C#N)ccc32)CC(C)(C)C1 1460301684 HQHVSFGKXLKYNP-RDJZCZTQSA-N 324.468 4.690 30 20 DJED C[C@@H](C(=O)Nc1ccc(Sc2ccccc2C#N)cc1)C1CC1 1532874754 NBQWAPFRHWPWTF-CYBMUJFWSA-N 322.433 4.694 30 20 DJED Cc1ccc(C(=O)N2CCCc3cccc(C(C)C)c32)cc1C#N 1536396515 WDCXCLIGZLIWHK-UHFFFAOYSA-N 318.420 4.583 30 20 DJED C[C@@H]1CCN(c2nc(C(C)(C)C)ccc2C#N)[C@H]2CCCC[C@@H]21 1559121181 TYFMFNHSTOFWNP-OIISXLGYSA-N 311.473 4.656 30 20 DJED COc1ccc(C#N)cc1CN(Cc1ccccc1)CC(C)(C)C 1559530811 DZLNHDWTUSDDRL-UHFFFAOYSA-N 322.452 4.615 30 20 DJED N#CC[C@@H](CC(=O)NC1CCC(C2CCC2)CC1)c1ccccc1 1586702753 VSESMBDTKPMCQB-GPJFCIFZSA-N 324.468 4.549 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1coc2c(C)cccc12 1632936670 YGQVZNUORWEXCG-UHFFFAOYSA-N 312.413 4.533 30 20 DJED C[C@H](Sc1cccnc1C#N)c1ccccc1Br 1641128171 BYHPAHFLPGRGKI-JTQLQIEISA-N 319.227 4.569 30 20 DJED CC(C)N(CCc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 1641628036 AOEDMRYOGCDVND-UHFFFAOYSA-N 312.844 4.665 30 20 DJED CC(C)Cc1cccc(C(=O)/C=C/c2csc(C(=O)O)c2)c1 1776341320 UCWJUQUAFJPHPU-VOTSOKGWSA-N 314.406 4.541 30 20 DJED CC[C@@H](C)c1ccc(/C=C/C(=O)c2cccc(C(=O)O)c2)cc1 1776698210 ILMQJKSTZIRMMK-BRADTZPFSA-N 308.377 4.794 30 20 DJED O=C(/C=C\c1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 33663169 VDOPYNHTWOKWPC-KMKOMSMNSA-N 321.254 4.510 30 20 DJED C[C@@H](Nc1ccc(OCC#N)cc1)c1ccc(F)cc1Cl 37228571 XADHCTCVXXAOLF-LLVKDONJSA-N 304.752 4.555 30 20 DJED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(F)cc1F 90665883 DYBFEQBJPGHXTD-UGSOOPFHSA-N 300.352 4.660 30 20 DJED CC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1cc(C)ccc1OC 91731414 DFHPHMNXDAMQEQ-KXBFYZLASA-N 308.425 4.677 30 20 DJED C[C@H](NCc1cccc(OCC#N)c1)c1ccc(C(C)(C)C)cc1 124308485 AVXISDJAVATJRK-INIZCTEOSA-N 322.452 4.737 30 20 DJED CCCCCCCC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C 155800399 XBYWPVIDMCAHPD-KRWDZBQOSA-N 319.493 4.831 30 20 DJED CC(C)Sc1ccc([C@H](C)NCc2ccccc2C#N)cc1 179084791 MMEMMBLMFGQIKH-HNNXBMFYSA-N 310.466 4.910 30 20 DJED CC#CCCCC(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C 186027545 WLAHXEFNEMKZPC-KRWDZBQOSA-N 312.457 4.506 30 20 DJED CCCc1cccc(C(C)C)c1NC(=O)c1ccc(C#N)c(C)n1 191557277 SXJAUNAOYYDZMV-UHFFFAOYSA-N 321.424 4.590 30 20 DJED CC(C)(CCC#N)CNCc1ccc(Oc2ccccc2)cc1 236818836 RVWUGIDXQHOUDH-UHFFFAOYSA-N 308.425 4.898 30 20 DJED Cc1ccc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)c(O)c1C 273456793 HHOVUGGBTKSCKF-APWZRJJASA-N 308.425 4.705 30 20 DJED Cc1ccc(CCCSCCCC2(C#N)CCOCC2)cc1 281722283 DCOFDJYAFSOQSR-UHFFFAOYSA-N 317.498 4.761 30 20 DJED CCOc1ccccc1/C=C/C(=O)c1ccc(OC(F)F)cc1 301493179 XLHVWYLDPPXGRZ-FMIVXFBMSA-N 318.319 4.583 30 20 DJED C=CCOc1cccc(NC(=O)C[C@@H](C)c2ccccc2C)c1 303713763 QFXQOTJBFQOMFH-MRXNPFEDSA-N 309.409 4.692 30 20 DJED C[C@H](NC1CC(c2cccc(Cl)c2)C1)c1ccc(C#N)cc1 315469632 OPJRTFROWDRMIE-LJSZUPLFSA-N 310.828 4.808 30 20 DJED CC(C)(C)c1ccccc1C(=O)Nc1ccc(C#N)cc1Cl 317555947 BQGNBEVMALKAAJ-UHFFFAOYSA-N 312.800 4.761 30 20 DJED O/C(Cc1ccc2n[nH]cc2c1)=N/[C@H]1CCCCC12CCCC2 329574342 ARFHCHSOGFKRBB-KRWDZBQOSA-N 311.429 4.565 30 20 DJED Cc1nc(C)c(C/N=C(/O)C2CCC(c3ccccc3)CC2)o1 329660150 IAOQNIOZOMXUEX-UHFFFAOYSA-N 312.413 4.722 30 20 DJED C=CCc1cc(C)cc(OC)c1OCc1csc(C2CC2)n1 438300145 CSJNEYVSJJUDBM-UHFFFAOYSA-N 315.438 4.645 30 20 DJED C=CC[C@H](C(=O)Nc1cc(Cl)cc(F)c1F)c1ccccc1 441573056 HMMBBUUFLWFCJG-ZDUSSCGKSA-N 321.754 4.917 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(Cl)cc1F 442674311 VZIIURRGLYYAAG-GFCCVEGCSA-N 302.780 4.544 30 20 DJED C=CCn1c(SCc2ccc(C)cc2Cl)nnc1C1CC1 446052768 JMXGNNQQWGGJSW-UHFFFAOYSA-N 319.861 4.596 30 20 DJED C=C(CNC(=O)Nc1ccc(-c2ccc[nH]2)cc1)c1ccccc1 480680493 OOTDZHQMOYIKOA-UHFFFAOYSA-N 317.392 4.517 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1ccc2c(ccn2CCC)c1 488303013 VUZQNFGBAFNPHR-QGZVFWFLSA-N 311.429 4.624 30 20 DJED C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccccc1SCCC#N 519405457 BQEUBJIIVLWKGZ-HUUCEWRRSA-N 316.470 4.847 30 20 DJED C[C@@H]1CCC[C@@](C#N)(NC(=O)C2CCC(c3ccccc3)CC2)C1 525710657 KCWKMBVHXLGRQH-RLFWHWAOSA-N 324.468 4.549 30 20 DJED COc1ccccc1[C@H](C)SCc1cccc(C#N)c1F 539248969 KUPDQAANDBSBSD-LBPRGKRZSA-N 301.386 4.700 30 20 DJED CC(C)(C#N)CCCN[C@H](c1ccc(F)cc1)C1CCCC1 540410547 PPZMJZXLMQHOMH-SFHVURJKSA-N 302.437 4.977 30 20 DJED C=C[C@@H](Cc1nc(-c2ccccc2OCC)no1)c1ccccc1 545583730 MJBLGYPIIKFFIW-HNNXBMFYSA-N 320.392 4.648 30 20 DJED C[C@H](NCC(C)(C)CCC#N)c1ccc(OC(C)(C)C)cc1 554078284 WEPLNHPGBFCPAC-HNNXBMFYSA-N 302.462 4.844 30 20 DJED CSc1ccc2c(c1)[C@H](NCc1ccc(C#N)s1)CCC2 571326876 MKOMDDMQTZEBPR-QGZVFWFLSA-N 314.479 4.509 30 20 DJED CC(C)(C#N)CCN[C@H](c1c(Cl)cccc1Cl)C1CC1 573253332 IVHFKQKNRAPTBJ-HNNXBMFYSA-N 311.256 4.974 30 20 DJED C[C@@H]1CCCC[C@H]1c1noc(C[C@H](CC#N)c2ccccc2)n1 574942093 BRLWOSYSVOFYKO-HYVNUMGLSA-N 309.413 4.603 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(-c2ccccc2)c(C)n1 582754285 OGRKRJCZDHLDNW-QGZVFWFLSA-N 321.424 4.629 30 20 DJED CC(C)(CCC#N)CNCc1cc(C(F)(F)F)ccc1Cl 588929543 OOXAZBPMDLIPKV-UHFFFAOYSA-N 318.770 4.778 30 20 DJED C=CC1CCN(C(=O)c2sc3cccc(C)c3c2Cl)CC1 599680922 XYOFDROLAMQGCR-UHFFFAOYSA-N 319.857 4.901 30 20 DJED CC(C)Sc1ccc(C(=O)N[C@H](C)c2cccc(C#N)c2)cc1 610359220 GDYISONYYIOCOC-CQSZACIVSA-N 324.449 4.550 30 20 DJED CCS[C@@H]1CCC[C@H](N[C@H]2CCCc3cc(C#N)ccc32)C1 611394039 ZCWYTWODECEMCI-SCTDSRPQSA-N 314.498 4.590 30 20 DJED COc1ccc2oc(C(=O)/C=C\c3ccc(C#N)cc3)c(C)c2c1 729149254 CNVRDHIULHLERV-CLFYSBASSA-N 317.344 4.518 30 20 DJED CC(C)[C@H](NCc1ccc(C#N)cc1)c1cc2ccccc2o1 732231200 KYQCSEUISJHXMY-FQEVSTJZSA-N 304.393 4.791 30 20 DJED CCCCCCCCC/C=C/C(=O)Nc1c(C)c(C)nn1C 733932433 OFOSANYRPDBIDP-BUHFOSPRSA-N 305.466 4.672 30 20 DJED C=CC[C@@H](C)NC(=S)Nc1ccccc1Oc1ccccc1 734987482 QWKLCKTYMGGYRA-CQSZACIVSA-N 312.438 4.730 30 20 DJED CCc1nc(C)c(C(C)=NNc2cccc3c2CCCC3)s1 735229381 DFARSKZEBGVOOB-UHFFFAOYSA-N 313.470 4.729 30 20 DJED CCCCCCC[C@H](C)CNC(=O)N(C)[C@@H](C)c1cccnc1 744280012 AEZZFFBJKMENFM-IRXDYDNUSA-N 319.493 4.781 30 20 DJED C#CCN(C(=O)N[C@@H](CCC)c1ccccc1)C1CCCCC1 744818105 SFAKFBYAONBXQL-IBGZPJMESA-N 312.457 4.505 30 20 DJED CC(=NOCc1cccnc1)c1ccc(SC(C)C)cc1 746576912 OGKHIPSYWGSFHJ-UHFFFAOYSA-N 300.427 4.523 30 20 DJED C=CCN(C(=O)c1c2ccccc2cc2ccccc12)C1CC1 754420615 XISPLMIYUKOATI-UHFFFAOYSA-N 301.389 4.784 30 20 DJED CCCCCCCCOCc1nc([C@H]2CCCCS2)no1 762385395 MPPQAUJUWWWQFR-CQSZACIVSA-N 312.479 4.905 30 20 DJED C=CCC[C@H](CCC)N[C@H](c1ccccc1)c1nccs1 765490439 VWPJOZYHPMCZDD-DLBZAZTESA-N 300.471 4.957 30 20 DJED CCCCCCCC(=O)Nc1ccc(C)c(-c2ncco2)c1 766058799 GVEPYWDBGSHTLE-UHFFFAOYSA-N 300.402 4.949 30 20 DJED C=CC[C@@H](OC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 778737792 PLJYRMKBSLXUAV-LJQANCHMSA-N 305.377 4.571 30 20 DJED C[C@H](C#N)Oc1ccccc1N[C@H](C)C1CCC(F)(F)CC1 788980898 PDSAYDUQYZJSOP-CHWSQXEVSA-N 308.372 4.603 30 20 DJED C=CCCCCCCCNC(=O)C1CCC(C(F)(F)F)CC1 810766971 RDQQSDWVUNMAEA-UHFFFAOYSA-N 319.411 4.998 30 20 DJED N#C[C@@H](C(=O)CCC1CCCCC1)c1cc(C(F)(F)F)ccn1 813211838 RMVPDVRBVGJKNM-CQSZACIVSA-N 324.346 4.637 30 20 DJED Cc1cc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2F)ccc1Cl 814191436 PXECMTAUZNICDN-CLTKARDFSA-N 319.719 4.592 30 20 DJED C=C1CCC(C(=O)N(c2ccccc2)c2nc(C)cs2)CC1 887644292 UWJGTURPKIIVDM-UHFFFAOYSA-N 312.438 4.863 30 20 DJED FC(F)(F)c1cccc(C=NNc2nccc3sccc23)c1 915979162 DCWHSCHTQOQKRL-UHFFFAOYSA-N 321.327 4.761 30 20 DJED CC(=NNc1cccc(C)c1)c1ccc(Br)s1 916255803 APZAXYDCTFZBPY-UHFFFAOYSA-N 309.232 4.655 30 20 DJED Cc1nc(NN=C2CCCCC2)c2c3c(sc2n1)CCCC3 916312063 MELHKEFZPYHEEP-UHFFFAOYSA-N 314.458 4.611 30 20 DJED CCCCCCCC(=O)O[C@H](C)C(=O)Nc1cccc(C)c1C 919222983 MIIZQPUPMSNFTM-MRXNPFEDSA-N 319.445 4.534 30 20 DJED CCOc1cccc(C=Nc2ccc(-c3nccs3)cc2)c1O 920943933 MBTSQPHBRIQIDE-UHFFFAOYSA-N 324.405 4.665 30 20 DJED N#Cc1ccc(N[C@H]2CCSc3ccc(F)cc32)cc1Cl 1120866395 OOEBZPMFZJOZRY-HNNXBMFYSA-N 318.804 5.000 30 20 DJED Cc1cnc(SCc2cc(Cl)ccc2OCC#N)c(C)c1 1166517556 OEVMZOMTJZESCM-UHFFFAOYSA-N 318.829 4.547 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC/C=C/c1ccc(F)cc1 1202716064 UYKGWCUGFPHRSC-ONEGZZNKSA-N 310.372 4.610 30 20 DJED CC[C@H](C)CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 1264596786 JZFWJMRUDKNHBX-AWEZNQCLSA-N 323.396 4.510 30 20 DJED Cc1ccc(Oc2ccc(Nc3ccncc3C#N)cc2)cc1 1306948515 NPVDUFAKBXLVQR-UHFFFAOYSA-N 301.349 4.798 30 20 DJED Cc1cc(C#N)nc(N[C@H](c2ccc(C(C)(C)C)cc2)C(C)C)n1 1307099960 CBQHJCMBHWVTFC-SFHVURJKSA-N 322.456 4.763 30 20 DJED N#Cc1nc(Sc2nc3ccc(F)cc3s2)ccc1Cl 1307206496 PEELUFXORXOQNV-UHFFFAOYSA-N 321.789 4.507 30 20 DJED CC(C)(C)c1ccccc1NC(=O)Nc1ccc(OCC#N)cc1 1318801906 TXZVOSYYJKQYGL-UHFFFAOYSA-N 323.396 4.530 30 20 DJED N#CC[C@H](C(=O)O[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccccc1 1354720345 RIWRSJVESVKIHR-AITUJVMLSA-N 311.425 4.586 30 20 DJED CCc1c(C)sc(NC(=O)C(C)(C)C2CCCC2)c1C#N 1435010643 JLJMDRKHBUSXEE-UHFFFAOYSA-N 304.459 4.646 30 20 DJED Cc1cc(C(=O)O[C@H](C)c2ccc(C#N)cc2)c(C)cc1Cl 1435362445 IYTREBWMIYTYCU-CYBMUJFWSA-N 313.784 4.747 30 20 DJED C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CC1(C#N)CCCCC1 1471997507 SSVWYKRLNYCWHO-HKUYNNGSSA-N 324.468 4.645 30 20 DJED CC(C)(C)c1cnc(S[C@@H](C#N)CCc2ccccc2)o1 1473005935 VVFFKMRAHAHHLF-CQSZACIVSA-N 300.427 4.589 30 20 DJED Cc1cc(C)cc(C2(C(=O)O[C@H](C)c3cccc(C#N)c3)CC2)c1 1525564595 INVMONCMCWHTNK-MRXNPFEDSA-N 319.404 4.511 30 20 DJED N#Cc1cc(NC(=O)CCC2CCCCCC2)ccc1Cl 1531847672 WABKDAXODIRYMB-UHFFFAOYSA-N 304.821 4.901 30 20 DJED Cc1csc(NC(=O)[C@H]2CCC[C@H]2Cc2ccccc2)c1C#N 1539627546 PEOYIVKQNALKDV-HOTGVXAUSA-N 324.449 4.526 30 20 DJED N#Cc1ccc(CSc2nc3cc(F)ccc3s2)c(F)c1 1559463630 FGWJNOJVVPKJSI-UHFFFAOYSA-N 318.373 4.738 30 20 DJED CC(C)c1cnc(SCCc2ccc(C#N)cc2)n1C(C)C 1613562690 TUFLKAPYLSELSZ-UHFFFAOYSA-N 313.470 4.794 30 20 DJED CC[C@H]1CN(Cc2ccc(F)c(C#N)c2)CC[C@H]1c1ccccc1 1615812014 NIJAUQBPPXVRDR-FXAWDEMLSA-N 322.427 4.713 30 20 DJED CC[C@@H](c1ccccc1)N(Cc1cc(C#N)ccc1OC)C(C)C 1620446506 VSYIZZJMIPFWOO-FQEVSTJZSA-N 322.452 4.929 30 20 DJED CCCN(c1ncc(C#N)cc1F)[C@H](C)c1cc2ccccc2o1 1639339477 LEKXPYRPWDWHKR-CYBMUJFWSA-N 323.371 4.816 30 20 DJED Cc1c(C#N)c(SCc2ccc3c(c2)CCC3)nc2c1CCC2 1640761939 BGQMEMPVIRXBQL-UHFFFAOYSA-N 320.461 4.531 30 20 DJED COc1ccc2c(c1)N(CCC1(C#N)CCCCC1)CCCC2 1654809538 UPESKCYDCFFJQO-UHFFFAOYSA-N 312.457 4.702 30 20 DJED Cc1nc(NC2CCC(C)(c3ccccc3)CC2)ccc1C#N 1655263973 QKPAGABYADSZNG-UHFFFAOYSA-N 305.425 4.574 30 20 DJED Cc1ccc2c(c1)SCCCN2Cc1ccc(C#N)c(C)c1 1664906000 LTXIZVLNPFQYDX-UHFFFAOYSA-N 308.450 4.678 30 20 DJED N#C[C@H]1CCC[C@@H](Nc2cccc(OCc3ccccc3)c2)C1 1665391939 MCRPMZFXNCZYAI-ZWKOTPCHSA-N 306.409 4.760 30 20 DJED C[C@@H](/N=C(\O)C1(C#N)CCCC1)C12CC3CC(CC(C3)C1)C2 7334439 PZWFMCZAFZGXRS-PGBRGIIUSA-N 300.446 4.632 30 20 DJED C[C@H](c1cccc(Cl)c1)N(C)Cc1ccc(C#N)cc1F 58000620 BGNIVASIGQAPJN-GFCCVEGCSA-N 302.780 4.544 30 20 DJED CC(C)c1cccc(C(C)C)c1NC(=O)CSCCC#N 82692935 UQFTYYFYDUZFNX-UHFFFAOYSA-N 304.459 4.519 30 20 DJED N#C[C@@H](C(=O)C1CCCCCC1)c1nc(-c2ccccc2)cs1 102121617 BVSPTIRBAILQOD-INIZCTEOSA-N 324.449 4.957 30 20 DJED CCN(CC)c1ccc(CN[C@@H](CCC#N)c2ccccc2)cc1 130604813 UEJGCRGATUSFLK-NRFANRHFSA-N 321.468 4.667 30 20 DJED CCCCCCCCNC(=O)c1sccc1Br 161008870 KSCOEQNZBVYHGD-UHFFFAOYSA-N 318.280 4.601 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1ccccc1S[C@H](C)CC#N 281338081 KNVGMEJQVCDNTM-KGLIPLIRSA-N 317.458 4.557 30 20 DJED CC[C@H](Nc1ccc([C@H]2CCOC2)cc1)c1ccc(C#N)cc1 294931135 HKGVBKALCKDKPF-ICSRJNTNSA-N 306.409 4.625 30 20 DJED CCN(C(=O)c1cc(C(C)C)oc1C)[C@@H](C)c1ccc(C#N)cc1 350081995 PDWMVWNNRPFBBR-AWEZNQCLSA-N 324.424 4.806 30 20 DJED N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCSc3c(F)cccc31)CC2 353259290 DVPGRISDRUDELM-ZWKOTPCHSA-N 324.424 4.511 30 20 DJED C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(C(C)(C)C)cc1 404755732 KZNXEBCPAGFVHC-AWEZNQCLSA-N 310.416 4.846 30 20 DJED C=CC(C)(C)C(=O)N(C)c1ccc(Cl)c(C(F)(F)F)c1 410869938 NZMILDCSJQXTRI-UHFFFAOYSA-N 305.727 4.534 30 20 DJED N#CC1(CC[S@](=O)[C@@H]2CCCc3ccccc32)CCCCC1 414237469 BDUWCMWCUAEPPG-GCJKJVERSA-N 315.482 4.677 30 20 DJED C=C(C)CN(C)C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 430175058 YHZWFNILQXCJCG-FQEVSTJZSA-N 320.436 4.558 30 20 DJED C=CCC[C@@H](NC(=O)[C@H](CC)CC(F)(F)F)c1ccccc1 450179013 BUYQUTFZHJYVJL-UKRRQHHQSA-N 313.363 4.789 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1ccc(-c2ccncc2)c(C)c1 455502528 HIKGVWNNWOQRAI-MRXNPFEDSA-N 309.413 4.533 30 20 DJED CC[C@@H](C)N(C)C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 464921833 SZAWMMXPLLUMGY-OAHLLOKOSA-N 322.408 4.530 30 20 DJED C=CC[C@H](CC)NC(=O)N(C)[C@@H](c1ccc(F)cc1)C(C)C 466406802 YXKPXIQZSZVWGT-DLBZAZTESA-N 306.425 4.519 30 20 DJED Cc1oc2ccccc2c1CN[C@H](C)c1ccc(C#N)c(F)c1 468046004 ADHUWSJCXOZRIJ-GFCCVEGCSA-N 308.356 4.603 30 20 DJED C[C@H](CCNc1cccc(C#N)n1)c1cccc(C(F)(F)F)c1 470873288 YSFLDFLJUJTANW-GFCCVEGCSA-N 319.330 4.578 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccccc1-c1csc(C)n1 477711005 HTBGNLODMZCFJW-UHFFFAOYSA-N 312.438 4.825 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccccc1C(F)(F)F 489094483 YMQDYEITAHQBJI-ZDUSSCGKSA-N 318.342 4.770 30 20 DJED C=CCN(Cc1ccccc1)C(=O)c1csc2ccccc12 497818886 ZBJDYDPRFJUDKC-UHFFFAOYSA-N 307.418 4.730 30 20 DJED C=CCCc1ccccc1NC(=O)N1CC[C@@H](C)C[C@@H](C)C1 505000223 AYEXGVTUAVZRJE-HZPDHXFCSA-N 300.446 4.705 30 20 DJED C[C@@H](CC1CCCCC1)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 510068632 FBAGCWYDBPRKRU-INIZCTEOSA-N 324.468 4.656 30 20 DJED CC[C@H]1CCc2ccccc2N1C(=O)c1ccc(Cl)c(C#N)c1 538269048 TZBBAHXHBTWWGC-INIZCTEOSA-N 324.811 4.583 30 20 DJED CCC(C)(C)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542966453 AXHRRKVBVZEHET-HNNXBMFYSA-N 320.436 4.839 30 20 DJED C[C@H](Nc1ccc(Cl)cc1OC(F)F)c1ccc(C#N)cc1 545160443 RFQWFPYLJMYJGM-JTQLQIEISA-N 322.742 4.986 30 20 DJED CC[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(F)cc1F 551573174 MWABJRDKDIPCDP-GOSISDBHSA-N 312.363 4.566 30 20 DJED C=CCn1c(C(C)C)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 565862318 ZRBQUHMOLBBILB-AWEZNQCLSA-N 324.428 4.531 30 20 DJED CC(C)c1ccc(C(=O)N(CCC#N)c2ccc(F)cc2)s1 568689420 QNGLCAFZVKKCJT-UHFFFAOYSA-N 316.401 4.571 30 20 DJED CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)CCCCCC#N 588679967 ZJDOVVBRPMRCRO-PXNSSMCTSA-N 312.457 4.536 30 20 DJED C=CCCCSCc1cccc(C(=O)N2CCCCC2)c1 609803941 NXGKIGJBGOQCSU-UHFFFAOYSA-N 303.471 4.512 30 20 DJED C[C@@H](Nc1ccn([C@H](C)c2ccccc2)n1)c1ccc(C#N)cc1 610733518 CKBHERIVZDDRBO-HZPDHXFCSA-N 316.408 4.537 30 20 DJED C[C@@H](CC#N)NCc1cccc(Oc2ccc(Cl)cc2)c1 612584562 PDLVVXJUCPDUDJ-ZDUSSCGKSA-N 300.789 4.524 30 20 DJED C=CCOc1ccc(CNC(C)(C)CC(F)(F)F)cc1Cl 681985364 XJUSZGKMTDRNAO-UHFFFAOYSA-N 321.770 4.725 30 20 DJED C=CCC[C@H](NC[C@H](Cc1ccccc1)C(F)(F)F)C1CC1 685660139 RDASNFLYRZGHOP-IRXDYDNUSA-N 311.391 4.742 30 20 DJED CC(C)CN(CCC#N)C(=O)C[C@H](C)c1ccc(C(C)C)cc1 737818390 GWKGVAFNIQOZLT-KRWDZBQOSA-N 314.473 4.702 30 20 DJED N#Cc1ccc2c(c1)CC/C(=C/c1ccc(Cl)c(F)c1)C2=O 742437751 QTRHWNNCLMPTAL-AUWJEWJLSA-N 311.743 4.563 30 20 DJED CCOc1cc(C#N)cc(Cl)c1OC(=O)/C=C(\C)C(C)(C)C 744357110 GYRCDUFZISHYFS-YRNVUSSQSA-N 321.804 4.508 30 20 DJED FC(F)(F)C1CCC(C=NNc2ncccc2Cl)CC1 767371289 VQTXYCMVZWSLAX-UHFFFAOYSA-N 305.731 4.501 30 20 DJED CC(C)(C#N)CCCCOC(=O)c1ccc(-c2ccccc2)[nH]1 768695700 GVIWRUNRXTVDGA-UHFFFAOYSA-N 310.397 4.559 30 20 DJED Clc1ccsc1C=NNc1ccccc1Br 782185977 HIKHERWRVJGGIW-UHFFFAOYSA-N 315.623 4.610 30 20 DJED CC(C)Oc1ccc(C(=O)/C=C/c2ccc3cnccc3c2)cc1 782305697 IYDOPOFLXCEGET-ONNFQVAWSA-N 317.388 4.918 30 20 DJED N#Cc1sc(Nc2cccc(NC3CCCC3)c2)nc1Cl 786804122 HCEHTVWNTBOCMF-UHFFFAOYSA-N 318.833 4.766 30 20 DJED O=C(/C=C\c1ccc(-c2cccs2)cc1F)c1cncs1 787172599 MFMVPEGNCBOENN-WAYWQWQTSA-N 315.394 4.907 30 20 DJED Cc1nc(C)c(C=NNc2cc(Cl)cc(Cl)c2)s1 790201523 GEZPJVJJAZCORH-UHFFFAOYSA-N 300.214 4.513 30 20 DJED N#Cc1ccc(Cl)c(C(=O)Nc2ccc3ccccc3c2)c1 794735450 IHPGOWCILRCUKN-UHFFFAOYSA-N 306.752 4.617 30 20 DJED C[C@H](SCCO[C@H](C)C#N)c1ccc(Cl)c(Cl)c1 801657567 FXUZAENCMGLYFN-ZJUUUORDSA-N 304.242 4.716 30 20 DJED O=C(/C=C/c1ccc2ncccc2c1)c1nccc2ccccc12 811698599 LAUTVRIWJQTVTQ-CSKARUKUSA-N 310.356 4.679 30 20 DJED C[C@H]1CC=C(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)CC1 835069854 JHLMTEBZZRCEQP-BBRMVZONSA-N 322.433 4.733 30 20 DJED Clc1ccc(C=NOCc2cc(-c3cccs3)on2)cc1 836688203 FZKLDYVNKMBCRX-UHFFFAOYSA-N 318.785 4.607 30 20 DJED O=C1/C(=C/c2cccc(OC(F)F)c2)CSc2ccccc21 866021064 TVMJRSYWJPKUOX-XYOKQWHBSA-N 318.344 4.660 30 20 DJED CCC(=NNc1nccc2sccc12)c1ccc(OC)cc1 915980343 UVHSATPAHPNUSU-UHFFFAOYSA-N 311.410 4.531 30 20 DJED Cc1ccc(C(=O)/C=C\c2c(Cl)nc3ccccn23)cc1C 916137572 OFVZELNFERJWJL-HJWRWDBZSA-N 310.784 4.501 30 20 DJED CCOc1ccc(O)c(C=Nc2cccc(N3CCCCC3)c2)c1 920173629 CVXGFAVPNYNSCW-UHFFFAOYSA-N 324.424 4.532 30 20 DJED N#CCOc1ccc(N[C@@H]2CCCc3ccc(Cl)cc32)cc1 1116495971 MCCOTRGNNNGCQT-GOSISDBHSA-N 312.800 4.732 30 20 DJED CC[C@@H]1CCC[C@H]1NC(=O)c1ccccc1-c1ccccc1C#N 1127157365 TXPCAEWIFQHPHS-FOIQADDNSA-N 318.420 4.534 30 20 DJED CCc1ccc(N(CC(C)C)C(=O)c2cc(C#N)ccc2F)cc1 1128619766 CVPPNYIMQVIOHM-UHFFFAOYSA-N 324.399 4.563 30 20 DJED C=C(Cl)CN(Cc1cccc(C#N)c1)c1ccc(F)cc1C 1191852656 BXZNPCMRBRWNGP-UHFFFAOYSA-N 314.791 4.765 30 20 DJED C[C@H](CCC#N)CN[C@@H](c1ccc(F)cc1)C1CCCCC1 1207143360 VOQHYXNWOVBUSV-DNVCBOLYSA-N 302.437 4.977 30 20 DJED CCC[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)C1CCCC1 1275597293 PGQKIXFGXCEABS-OALUTQOASA-N 312.457 4.549 30 20 DJED CCc1ccc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 1307488924 ZLJZOCJRWQBNDS-SFTDATJTSA-N 304.437 4.521 30 20 DJED CC[C@H](Cc1ccc(Cl)cc1)NCC1CCC(C#N)CC1 1308713839 LNFKHTVDZHZROS-LEOMRAHMSA-N 304.865 4.581 30 20 DJED CC[C@@H](C)N(CC)C(=O)Nc1ccccc1SC[C@@H](C)C#N 1333196703 WPZBOAJQRGRSOF-UONOGXRCSA-N 319.474 4.591 30 20 DJED CCc1c(C)sc(NC(=O)c2cccc(C(C)C)c2)c1C#N 1435010919 RWQCINVWVYIPDY-UHFFFAOYSA-N 312.438 4.866 30 20 DJED C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)c1cccc(F)c1C#N 1458233191 BYTSMSALHPASLK-STQMWFEESA-N 316.807 4.979 30 20 DJED CCc1ccc(NC(=O)Nc2cc(C#N)ccc2OC(C)C)cc1 1465397472 OIINMPURTYARTG-UHFFFAOYSA-N 323.396 4.552 30 20 DJED C[C@H](CC1(C#N)CCOCC1)NC1CCC2(CCCCC2)CC1 1474445437 FFEDEJZMNZFLIM-QGZVFWFLSA-N 318.505 4.568 30 20 DJED CCC(CC)[C@@H](NC(=O)c1cccc(C#N)c1C)c1ccccc1 1514975335 PBWBDHABCQEPFY-HXUWFJFHSA-N 320.436 4.774 30 20 DJED CC(C)COc1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)cc1 1539790158 DIUWATPQQQYQPE-OAHLLOKOSA-N 323.392 4.511 30 20 DJED CC[C@@H](C)CSc1nc2c(c(C#N)c1C#N)CCCCCC2 1559137735 KTNWINBBCMENOQ-CYBMUJFWSA-N 313.470 4.622 30 20 DJED CCc1ccc([C@@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)cc1 1559814954 UCTVQLBYBXTEIG-LJQANCHMSA-N 322.427 4.639 30 20 DJED CC(C)(C)C1CCC(CNCc2ccc(C#N)cc2F)CC1 1560374261 UXUIVTMRMPGYMR-UHFFFAOYSA-N 302.437 4.639 30 20 DJED Cc1ccc([C@H]2CCCCN2Cc2ccc(CC#N)cc2)cc1 1641860773 LYJWMVKRZVKLQX-OAQYLSRUSA-N 304.437 4.788 30 20 DJED CC[C@@H](C)c1ccc([C@H](Nc2cc(C#N)ncn2)C(C)C)cc1 1649490517 LFKZDQUNQKVDJN-AUUYWEPGSA-N 308.429 4.671 30 20 DJED C[C@@H](NCc1ccc2ccc(Cl)cc2n1)c1ccc(C#N)cc1 1653584062 GNGNIOGKILKUCQ-CYBMUJFWSA-N 321.811 4.611 30 20 DJED CC(C)CC[C@H]1CCCN1c1ccc(C#N)c(Br)c1 1655260587 IASHZXNRPCIGDI-CQSZACIVSA-N 321.262 4.726 30 20 DJED C=C(Br)CN[C@H]1CCCC[C@@H](c2ccccc2)C1 1655563410 JRDZGKQDKNEBPB-CVEARBPZSA-N 308.263 4.601 30 20 DJED CCCCCCCC[C@@H](C)C(=O)Nc1ccccc1C(=O)O 1776786071 IKCCOFFLZDBHOY-CQSZACIVSA-N 305.418 4.710 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1ccccc1CC 43402910 IPPLUGNUGNAWDQ-UHFFFAOYSA-N 300.427 4.531 30 20 DJED C[C@@H](c1ccccc1Cl)N(C(=O)c1ccc(C#N)cc1)C1CC1 45398000 DXWGVYAJEXSGBO-ZDUSSCGKSA-N 324.811 4.577 30 20 DJED CCN(C(=O)Nc1cccc(C)c1C)[C@H](C)c1ccc(C#N)cc1 118787006 IIAZZBNGPYMKAV-MRXNPFEDSA-N 321.424 4.790 30 20 DJED CCOc1ccc([C@H]2CCCN2CC(C)(C)CCC#N)cc1 120884793 PJBMHPAWLFFXJU-GOSISDBHSA-N 300.446 4.552 30 20 DJED CC(C)(C)CCC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 121844449 UXKFPRWOIWZQSS-NSHDSACASA-N 320.845 4.952 30 20 DJED C[C@H](NCc1ccccc1C(C)(C)C#N)c1ccc(Cl)cc1 135101903 DDONRDZZFZOYCL-AWEZNQCLSA-N 312.844 4.992 30 20 DJED C=CCCC(=O)N1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 155057890 JRZXHCOOJXVLKQ-WBMJQRKESA-N 311.347 4.581 30 20 DJED N#CCCCCSCc1cc(F)ccc1Br 161726418 IAMGJCMWZQNSHA-UHFFFAOYSA-N 302.212 4.515 30 20 DJED Cc1cccc(Oc2ccccc2CNCc2ccc(C#N)o2)c1 174365241 JFFNQAJWMIWBIR-UHFFFAOYSA-N 318.376 4.542 30 20 DJED CCSc1cccc(NCc2ccc(O[C@@H](C)C#N)cc2)c1 178234695 KYTYEBXURBHROZ-AWEZNQCLSA-N 312.438 4.702 30 20 DJED C=C[C@@H](CC(=O)N[C@@H]1CCSc2ccccc21)c1ccccc1 179346468 LNYLSGLESVKMCR-MAUKXSAKSA-N 323.461 4.700 30 20 DJED Cc1cccc(NC2CCN([C@H](C)c3cccc(C#N)c3)CC2)c1 187699580 CUIDQCZSRWTQIH-QGZVFWFLSA-N 319.452 4.504 30 20 DJED CCCCC[C@](C)(CC)C(=O)Nc1ccccc1O[C@H](C)C#N 189809435 ZKZJHZQNRSMEOS-BEFAXECRSA-N 316.445 4.913 30 20 DJED COc1ccc(/C=C\C(=O)c2ccccc2C(F)(F)F)cc1 206088429 WYXWBBKHPYIWMK-FLIBITNWSA-N 306.283 4.610 30 20 DJED C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2ccc(Cl)s2)cc1 255780180 ZNRVFYXTOHBGSU-IBHLPDHGSA-N 317.797 4.588 30 20 DJED CCOc1cc(C#N)ccc1OCc1ccccc1C(F)(F)F 302110702 YMLBFJBSFABJJY-UHFFFAOYSA-N 321.298 4.555 30 20 DJED C=C(C)C(C)(C)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 424696963 AOGIGFMCPNLGAY-OAHLLOKOSA-N 308.425 4.528 30 20 DJED N#Cc1ccc(CNC2(c3cccc(Cl)c3)CC2)c(Cl)c1 439429226 HRLVFCIGOUZGDV-UHFFFAOYSA-N 317.219 4.644 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1cccc(N2CCCCCC2)c1 439584886 CHMFTYMYJGLJOB-MRXNPFEDSA-N 315.461 4.543 30 20 DJED CC[C@H](c1ccccc1)N(CC)C(=O)[C@@H](C)c1cccc(C#N)c1 461991204 PPLBVOIFVZZIDD-OXJNMPFZSA-N 320.436 4.662 30 20 DJED C=C(CN[C@@H]1CCC[C@H](c2ncccc2C)C1)c1ccccc1 467338474 ZSBNOHHAFWOMKV-VQTJNVASSA-N 306.453 4.719 30 20 DJED N#Cc1cc(Cl)ccc1CN[C@@H](c1cccs1)C1CC1 480879672 UAHWAAFHVDZFLG-MRXNPFEDSA-N 302.830 4.514 30 20 DJED Cc1cc(CN[C@@H](C)c2ccccc2C(F)(F)F)ccc1C#N 488127180 OIUPCJIQQHWCLI-ZDUSSCGKSA-N 318.342 4.736 30 20 DJED C=CC[C@H](C(=O)N[C@@H](C)c1cccc(OCC)c1)c1ccccc1 488711942 PEIVDDGTZWLFEM-JXFKEZNVSA-N 323.436 4.622 30 20 DJED N#Cc1cccc(OCCCSCCCCC(F)(F)F)c1 507636905 WJAUQSILQRDKRY-UHFFFAOYSA-N 317.376 4.793 30 20 DJED C=C[C@@H](CC(=O)N(C)[C@H]1CCCc2ccccc21)c1ccccc1 536090331 LCZCYVZSUOULMP-UWJYYQICSA-N 319.448 4.882 30 20 DJED C=CCC[C@@H](NCCC1CC(OC(C)(C)C)C1)c1ccco1 552262347 RCJMQBYZLKQKOX-OFLPRAFFSA-N 305.462 4.860 30 20 DJED C=CCC(C)(C)c1noc([C@H](C)Oc2ccc(SC)cc2)n1 569267380 HMMGUASAJOWCBY-LBPRGKRZSA-N 318.442 4.785 30 20 DJED C=CCCC1(c2nc([C@@H](F)c3ccc(Cl)cc3)no2)CC1 579763023 OCFNAONVLLPSHJ-ZDUSSCGKSA-N 306.768 4.780 30 20 DJED Cc1ccccc1[C@@H](NC(=O)CCCC#N)C1CCC(C)CC1 589703151 ISJQXGZIYPWMRZ-LAGYLCCXSA-N 312.457 4.673 30 20 DJED CSc1cc(C)c(-c2cc(CC#N)ccc2OC(C)C)cn1 596640901 PQIZISPRSYGQAV-UHFFFAOYSA-N 312.438 4.632 30 20 DJED Cc1ncc([C@H](C)Nc2ccc(C#N)c(C(F)(F)F)c2)s1 601228701 SMWAIYKZTVIFJK-QMMMGPOBSA-N 311.332 4.515 30 20 DJED N#Cc1ccc(SCc2ccc(OCC(F)(F)F)cc2)cc1 603938327 WFMIYPBYXBEELR-UHFFFAOYSA-N 323.339 4.792 30 20 DJED C=CCCS[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 610315499 CCQLPVIXFUFOOD-LLVKDONJSA-N 308.834 4.684 30 20 DJED Cc1ccc(-c2ncco2)cc1N[C@@H](C)c1cccc(C#N)c1 611483280 FBSVOCYQEFXWKX-AWEZNQCLSA-N 303.365 4.695 30 20 DJED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1Oc1ccccc1 619672627 MADBZZWOLAUKHZ-GVDBMIGSSA-N 306.409 4.822 30 20 DJED C=CCCc1ccccc1NC(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1 626555357 WHPVHPXFMGCGPK-OKILXGFUSA-N 322.399 4.560 30 20 DJED C=CCN(C(=O)c1ccc(-c2ccco2)s1)c1ccccc1 676222708 ZZLFWZHAOKCIGC-UHFFFAOYSA-N 309.390 4.841 30 20 DJED CCC(Cc1cccs1)=NNc1ncccc1C(F)(F)F 730947801 JVRBLLNCIIQKGL-UHFFFAOYSA-N 313.348 4.583 30 20 DJED Cc1cc(/C=C/C(=O)c2cccc(O)c2)c(OC(F)F)cc1C 742430794 FDWMJGSRWVKPJD-VOTSOKGWSA-N 318.319 4.507 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)C[C@H]2CCCC[C@@H]2C)n1 747193543 JSHKNTQMGRCVRU-BFHYXJOUSA-N 304.459 4.659 30 20 DJED CC1(C)CCc2cc(/C=C/C(=O)c3ccc(C#N)s3)ccc2O1 762441909 DHUGQRGATPUWGA-ZZXKWVIFSA-N 323.417 4.619 30 20 DJED Cc1cc(C)cc(C2(C(=O)OCCCCC(C)(C)C#N)CC2)c1 768610391 WMERVFLOVKQZOT-UHFFFAOYSA-N 313.441 4.598 30 20 DJED CC[C@@H](Nc1cc2c(cc1Cl)OCO2)c1ccc(C#N)cc1 774304754 YDOLZPFKBIPXLF-CQSZACIVSA-N 314.772 4.504 30 20 DJED C#CCCCCCC(=O)N(Cc1ccc(F)cc1)C(C)(C)C 776402499 RCJDDWRLYNTMPF-UHFFFAOYSA-N 303.421 4.537 30 20 DJED CCCCCC[C@H](C)NN=C1CCC(c2nc(CC)no2)CC1 778541103 AVTZIZQHDJFYBQ-MLCCFXAWSA-N 320.481 4.594 30 20 DJED C[C@H](CCc1ccccc1)OC(=O)C[C@@H](CC#N)c1ccccc1 795983973 QQUODZUWCQLRNF-YLJYHZDGSA-N 321.420 4.638 30 20 DJED C=CCCCCCCCCNC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C 807843382 IOBDSSJWOZKNOU-IAGOWNOFSA-N 321.505 4.661 30 20 DJED CCc1nocc1/C=C\C(=O)c1ccc(SC(C)C)cc1 834424779 BYHOVXCTXZSXMD-YFHOEESVSA-N 301.411 4.634 30 20 DJED COCc1csc(/C=C2\C(=O)c3ccsc3S[C@H]2C)c1 849246377 YKKHAEIIFILTSJ-FVNYMESBSA-N 322.476 4.717 30 20 DJED CC(CC(C)(C)c1ccccc1)=NNc1nc2ccccc2[nH]1 915936720 BTOQCGQSXGMCLU-UHFFFAOYSA-N 306.413 4.719 30 20 DJED C/C(=C/C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1CC1 917668820 HHDPCZMUWKNUKX-TXUZILRVSA-N 316.404 4.637 30 20 DJED Cc1ccc(C[C@@H](N[C@H](C)CC(C)(C)C#N)c2ccccn2)cc1 925078397 LPWNHJITGBPHKJ-YLJYHZDGSA-N 321.468 4.592 30 20 DJED CCC(CC)CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1124213880 MBMJOTBACGGACM-LLVKDONJSA-N 304.459 4.509 30 20 DJED C[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 1126052856 CGVAOAZLUAFJHS-ZBFHGGJFSA-N 320.392 4.725 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)Cc1cccc2ccoc12 1180154756 VXHVAJJUZXIKLN-UHFFFAOYSA-N 318.420 4.963 30 20 DJED Cc1cc(CN2CCC(c3ccc(C#N)cc3)CC2)ccc1Cl 1184044485 ATAPHLXPRORNMX-UHFFFAOYSA-N 324.855 4.900 30 20 DJED C[C@H](Nc1ccc(C#N)cn1)c1ccc(-c2ccc(F)cc2)cc1 1185838842 OUUCYKIUFZTCBZ-AWEZNQCLSA-N 317.367 4.932 30 20 DJED CC[C@@H](C)[C@@H]1CCCCN1c1ccc(C#N)c(Br)c1 1185978114 CRZNHWRZDVMAKP-WBMJQRKESA-N 321.262 4.726 30 20 DJED Cc1cc(C)c(/C=C/CN[C@H]2CCc3cc(C#N)ccc32)cc1C 1202243253 UOAGNQMVCIGXSL-ZDUIWUOISA-N 316.448 4.774 30 20 DJED CCc1ccc(-c2nc(CSCC3(C#N)CC3)cs2)cc1 1254195883 CTLLEPBAUIDKNT-UHFFFAOYSA-N 314.479 4.909 30 20 DJED CC(C)c1ccc(/C=C\CC(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1 1275464339 LSFMIJMQBGSURU-JROGSOPMSA-N 311.425 4.839 30 20 DJED CCC(CC)CN(CCC#N)Cc1cccc(Br)c1 1308588779 CHNKUAIXIQCRTF-UHFFFAOYSA-N 323.278 4.601 30 20 DJED N#CC1(CCCS[C@H]2CCc3c(F)cccc32)CCOCC1 1321308519 BTLAIBYDOWFADM-KRWDZBQOSA-N 319.445 4.647 30 20 DJED CCc1ccc(-c2nnc([C@@H](C)Cc3ccc(C#N)cc3)o2)cc1 1329296282 CULWCXTXVJGGLG-AWEZNQCLSA-N 317.392 4.517 30 20 DJED CC[C@H](C)c1ccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 1353272578 VOKWYWQPFGKREE-LSDHHAIUSA-N 306.409 4.563 30 20 DJED Cc1sc(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)c(C#N)c1C 1353586264 JDSFMSBXYWBQSA-HDJSIYSDSA-N 304.459 4.638 30 20 DJED CC(C)(C)C[C@@H](NC(=O)c1ccc(C#N)cc1F)c1ccccc1 1355061032 SHPHJNYQBQGTLM-GOSISDBHSA-N 324.399 4.605 30 20 DJED N#Cc1ccc(CN2CC3(CCCC3)[C@@H]2c2ccccc2)s1 1460207662 MWJYTZJSRFXTEG-SFHVURJKSA-N 308.450 4.737 30 20 DJED CCCC[C@@H]1CCC[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N 1472685657 XCERTDMYAXEMGN-YPMHNXCESA-N 311.351 4.743 30 20 DJED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccccc1C1CC1 1473179667 HSWWSHOVJKDGFE-VXKWHMMOSA-N 316.448 4.836 30 20 DJED CCc1ccc([C@H]2CCCN(Cc3ccc(CC#N)cc3)C2)cc1 1473450675 TXDFMSJQLPGLTB-QFIPXVFZSA-N 318.464 4.695 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C1 1528081072 LRSQQCHJFHSWHF-BEFAXECRSA-N 305.377 4.593 30 20 DJED N#Cc1ccc(CN2CCC[C@H](Cc3ccccc3)C2)c(Cl)c1 1559528288 ZDWOVCSMHAIPMW-GOSISDBHSA-N 324.855 4.666 30 20 DJED CC[C@H](C#N)C(=O)Nc1cccc(CSC2CCCCC2)c1 1565767029 REJGAVFFGBKRBP-OAHLLOKOSA-N 316.470 4.741 30 20 DJED C/C(=C\c1ccccc1)CNc1cc(C#N)ccc1OC(C)C 1620962757 QZKVJSPYZZWAAV-LFIBNONCSA-N 306.409 4.861 30 20 DJED CC1(C)CC[C@@H](Nc2ncc(C#N)cc2Cl)c2ccccc21 1639364443 YYFRZWGDLMBGJH-MRXNPFEDSA-N 311.816 4.831 30 20 DJED CC(C)N(Cc1cccc(Cl)c1)Cc1ccc(F)c(C#N)c1 1641521481 DKWKYGDRVMXAOF-UHFFFAOYSA-N 316.807 4.761 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 1654273837 UNZMZLLMNNWOTM-NPFVIJTESA-N 314.432 4.940 30 20 DJED C/C(=C/c1ccccc1OC(F)F)CNc1cccc(C#N)c1 1655987922 HSQAQEOLZNBJLK-LCYFTJDESA-N 314.335 4.675 30 20 DJED Cc1c(C#N)cccc1NCc1ccc2c(c1)CCC(C)(C)O2 1662556382 QUSUOHWJYJBIPB-UHFFFAOYSA-N 306.409 4.582 30 20 DJED CC(=NNc1cccc(C(=O)O)c1)C1(c2ccccc2)CCCC1 1776036994 FKSZAQZQARTDBA-UHFFFAOYSA-N 322.408 4.685 30 20 DJED C=CCCCCCCCCNc1ccc([N+](=O)[O-])c(C(=O)O)c1 1776207897 FBQPXFNKNCEXME-UHFFFAOYSA-N 320.389 4.622 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1cccc(CCC)c1 1776783735 GUDQENSQQGMSBY-LJQANCHMSA-N 319.489 4.933 30 20 DJED CCc1oc2ccccc2c1/C=C\C(=O)c1cccc(C(=O)O)c1 1776999418 RKFSRIWKJYWLGT-KHPPLWFESA-N 320.344 4.590 30 20 DJED Cc1cc(C)cc(-c2nnc(SCc3cccc(C#N)c3)o2)c1 22237639 WHFGAHIFKGNTNP-UHFFFAOYSA-N 321.405 4.517 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1ccc(C)c(Cl)c1 24535744 AJQXXVCFARASIQ-UHFFFAOYSA-N 320.845 4.930 30 20 DJED COc1cccc(/C=C2\CCc3[nH]c4ccc(F)cc4c3C2=O)c1 26433449 NEFFMEQNVJBHPU-UKTHLTGXSA-N 321.351 4.528 30 20 DJED N#Cc1ccc(F)c(CSC2=Nc3ccccc3CS2)c1 54155838 YCWFIULZLYAETH-UHFFFAOYSA-N 314.410 4.865 30 20 DJED Cc1cc(C(=O)Nc2ccccc2SCCC#N)sc1C 108200516 FKDUZDXBRSWVAC-UHFFFAOYSA-N 316.451 4.623 30 20 DJED C[C@@H](NCc1cc(C#N)ccc1F)c1ccc(Cl)c(Cl)c1 120103195 SAUCCRCMSNMLHY-SNVBAGLBSA-N 323.198 4.855 30 20 DJED CC(C)(C#N)CCCSc1nnc(-c2ccccc2Cl)o1 177297868 FQMGKLXCINSMJV-UHFFFAOYSA-N 321.833 4.812 30 20 DJED CCC[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(F)cc1F 181662725 GMECEAHOYIZDPX-SFHVURJKSA-N 318.342 4.607 30 20 DJED CCSc1ccc([C@@H](C)NCc2ccc(F)cc2C#N)cc1 182132579 AQRNVYYCBASYLV-CYBMUJFWSA-N 314.429 4.660 30 20 DJED C[C@H](NCc1ccc(F)c(C#N)c1)c1cccc(Cl)c1Cl 183754343 PLGMUWOBVFEMNN-JTQLQIEISA-N 323.198 4.855 30 20 DJED C=C(C)[C@@H](N[C@@H](C)c1cnc(C)s1)c1ccc(F)c(F)c1 186451572 RSSLXOIBZDYPBJ-MGPLVRAMSA-N 308.397 4.698 30 20 DJED O=C(/C=C\c1cccc(/C=C\C(=O)c2ccco2)c1)c1ccco1 255427468 QNPLJKHUSPNCGV-WGEIWTTOSA-N 318.328 4.665 30 20 DJED C[C@@H](Nc1c(C#N)cnc2ccccc12)c1ccc(F)cc1F 301370628 VBBHSTDHEWPWRM-LLVKDONJSA-N 309.319 4.558 30 20 DJED CCCCCCCC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C 302924757 BYVZSGTUVSXRME-OAHLLOKOSA-N 321.461 4.550 30 20 DJED CCCOc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 319880991 UQONBWMYGQXBOR-HOTGVXAUSA-N 308.425 4.759 30 20 DJED N#CCCCOc1cccc(N[C@@H]2CCc3c(F)cccc32)c1 322182557 PXMKDWLQSSOWAB-LJQANCHMSA-N 310.372 4.608 30 20 DJED C[C@H]1C[C@@H](C(O)=Nc2cccc(NC3CCCC3)c2)CCC1=O 328957567 OCPHWLJVCCOBJN-KBPBESRZSA-N 314.429 4.634 30 20 DJED CC1(/N=C(/O)C2CCC(/N=C(/O)C3CC3)CC2)CCCCC1 330034185 WFSLAVKCVMBVIL-UHFFFAOYSA-N 306.450 4.591 30 20 DJED N#Cc1cc(C(F)(F)F)ccc1NC[C@H]1CCCCC1(F)F 381921147 OGBFUUJVNSLIKN-GFCCVEGCSA-N 318.289 4.814 30 20 DJED CCC(CC)CN(CCC#N)C(=O)CCCc1ccc(C)s1 430718887 YLQFEBBEQHOMHJ-UHFFFAOYSA-N 320.502 4.558 30 20 DJED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(Cl)ccc1Cl 435664789 NVGZRNUUDGLBBS-WQGACYEGSA-N 314.256 4.625 30 20 DJED CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccccc1SCCC#N 448936072 CZEVJTVJJLPLQE-GJZGRUSLSA-N 316.470 4.847 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCCC1(C)C 475410201 LJHWVWQDRBSSJU-KBPBESRZSA-N 316.470 4.703 30 20 DJED C=CCCC1(C(=O)N2CC[C@](C)(CCc3ccccc3)C2)CC1 476295857 VUTCPSJQNVMNPE-FQEVSTJZSA-N 311.469 4.604 30 20 DJED CCC[C@H](CC)S[C@@H](C)C(=O)N(CCC#N)c1ccccc1 477074415 RZZHUDDOBRALRH-RDJZCZTQSA-N 318.486 4.634 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCC[C@H]1c1cccs1 487379420 RWUDROSEVAAJDL-KRWDZBQOSA-N 310.466 4.886 30 20 DJED Cc1cccc([C@H](NC(=O)c2cccc(CC#N)c2)C(C)(C)C)c1 488854370 NGFGWHGKNOWJRC-IBGZPJMESA-N 320.436 4.578 30 20 DJED CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 523438479 CBXBZORBAPPISW-MLGOLLRUSA-N 319.836 4.644 30 20 DJED Cc1cnc([C@@H](C)Sc2nc(-c3ccccc3)ccc2C#N)o1 538897782 AYCJAPXJYKYLLP-CYBMUJFWSA-N 321.405 4.770 30 20 DJED C=CC[C@@H](C)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 540171061 MOYBXOXSDRMMFQ-DOMZBBRYSA-N 316.445 4.881 30 20 DJED CC(C)N(CCC#N)C(=O)Nc1ccc(-c2ccccc2)cc1 541261698 LQRQXWXOMKBWJP-UHFFFAOYSA-N 307.397 4.510 30 20 DJED CC[C@H](CC#N)Nc1ncnc2scc(-c3ccc(C)cc3)c12 545871651 RVSIVZHONRNQAW-CQSZACIVSA-N 322.437 4.771 30 20 DJED C[C@H](NCc1cccc(C#N)c1)c1ccc(F)c2ccccc12 564740229 CRNYHGTXOCKLJI-AWEZNQCLSA-N 304.368 4.701 30 20 DJED N#Cc1ccc(F)c(CN2CCC[C@@H]2c2cccc(Cl)c2)c1 603855146 CNURXJQHHVIZBK-GOSISDBHSA-N 314.791 4.688 30 20 DJED CCCOc1ccc(CNc2cccc(Cl)c2C#N)cc1 603866411 ZWQQMCSKHCQJKE-UHFFFAOYSA-N 300.789 4.613 30 20 DJED C=CCCCSc1nc2ccccc2c(=O)n1C1CCCC1 605076175 OILOVTBINGOQMV-UHFFFAOYSA-N 314.454 4.570 30 20 DJED C=CCN(Cc1ccccc1)Cc1csc(CCCC)n1 642252329 AQWROVVTABUVSG-UHFFFAOYSA-N 300.471 4.674 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C2CC2)cc1 678560298 LHHCOLGADBIZLC-UHFFFAOYSA-N 324.399 4.923 30 20 DJED C=C(C)CN(C)C(=O)NC(c1ccccc1C)c1ccccc1C 680645662 WHPCLFAKTNJRMS-UHFFFAOYSA-N 322.452 4.610 30 20 DJED CCCCCCCCC(=O)Nc1cc(C)ccc1NC(C)=O 727715862 MUZPARWTDBWBJV-UHFFFAOYSA-N 304.434 4.643 30 20 DJED CCCCCCC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 731198218 HMGVLMUXWNJMJY-KRWDZBQOSA-N 300.446 4.635 30 20 DJED CCCCN(Cc1ccc(OCC#N)cc1)[C@H](C)c1ccccc1 731211972 LNBSWLHYHNTATJ-GOSISDBHSA-N 322.452 4.952 30 20 DJED CC(=NNc1ncc(Cl)cc1Cl)c1cccc(C)c1C 734294633 CZIGDRSZUJFRGP-UHFFFAOYSA-N 308.212 4.841 30 20 DJED COCc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 742431610 LFLHGJKAELSWJR-FMIVXFBMSA-N 306.405 4.608 30 20 DJED Brc1cccc(NN=Cc2ccccc2C2CC2)c1 751135205 VDCWZFRSWVGSSE-UHFFFAOYSA-N 315.214 4.773 30 20 DJED C#CC[C@@H](NCc1ccc(F)c(Cl)c1Cl)c1ccccc1 762455309 SAWUWFNATLSDDC-OAHLLOKOSA-N 322.210 4.987 30 20 DJED N#Cc1ccc(/C=C2\Cc3cc(Cl)cc(Cl)c3C2=O)s1 764435010 ZTYKKEGOPQURPY-WEVVVXLNSA-N 320.200 4.749 30 20 DJED CC1(C)CCC(C(=O)[C@H](C#N)c2ccc3ccccc3n2)CC1 768757443 WJNQRCCLFHPFNC-MRXNPFEDSA-N 306.409 4.627 30 20 DJED C[C@@H](CCSc1ccccc1)OC(=O)C1(C#N)CCCCC1 769999441 YNEBKMTUZWEQBL-HNNXBMFYSA-N 317.454 4.575 30 20 DJED COc1ccccc1[C@H](C)Sc1snc(Cl)c1C#N 771223080 CDYPHOYBOWKLCS-QMMMGPOBSA-N 310.831 4.530 30 20 DJED CCCCCCCCCCC(=O)N1CCC[C@@H]1C1CCOCC1 777493867 JYOYVYVIBXBXBS-LJQANCHMSA-N 323.521 4.935 30 20 DJED O=C1/C(=C/c2ccc3cnccc3c2)Cc2cc(Cl)ccc21 782343776 XMTOXFDNPXRMMQ-LZYBPNLTSA-N 305.764 4.711 30 20 DJED Cc1cc(/C=C2\Cc3ccc(F)cc3C2=O)cc2cccnc12 783711496 ZDEMEPZGBWMHNL-CXUHLZMHSA-N 303.336 4.505 30 20 DJED Clc1cc(Cl)c(NN=C[C@H]2CCCSC2)nc1Cl 794873016 NAZOGYNSSIMKOK-SSDOTTSWSA-N 324.664 4.583 30 20 DJED CC[C@@](C)(C#N)C(=O)O[C@@H](C)c1sc2ccccc2c1C 802767903 ZZULULXLASLKIH-SJCJKPOMSA-N 301.411 4.754 30 20 DJED O=C(/C=C\c1cc(F)c(F)c(F)c1)c1c(F)cccc1Cl 809159449 PPOXRCPSZMXXIB-PLNGDYQASA-N 314.665 4.793 30 20 DJED C/C(C=NOCCC(F)(F)F)=C/c1ccccc1OC(F)F 811649053 ZRDLWBJBPVQTTB-ZPMPNTEPSA-N 323.261 4.646 30 20 DJED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)C3CCC3)n2)cc1 838789748 WSSUKBZZWWSFAH-CZUORRHYSA-N 324.449 4.731 30 20 DJED C#Cc1cccc(NC(=S)Nc2ccc(CCCC)cc2)c1 844256947 CCKFEUFCXMIVNX-UHFFFAOYSA-N 308.450 4.819 30 20 DJED CSc1ccc(/C=C\C(=O)OCCCCC(C)(C)C#N)s1 860290541 SYIUSXUYOIFKJL-VURMDHGXSA-N 323.483 4.746 30 20 DJED C[C@H](C#N)Oc1ccccc1NCc1ccc(F)c2ccccc12 864031844 RXCIASPJUZRNOZ-CQSZACIVSA-N 320.367 4.882 30 20 DJED CC[C@@H]1c2ccccc2CN1C(=O)C[C@H](CC#N)c1ccccc1 890613542 FPCNJCKRLVQJMS-FXAWDEMLSA-N 318.420 4.567 30 20 DJED CCCCCCCC(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 914509720 ZEJODPRLSKWGPH-INIZCTEOSA-N 300.446 4.828 30 20 DJED COc1cccc2cc(/C=C/C(=O)c3c[nH]c4ccccc34)oc12 915271190 NKHLIFYCUDWOSJ-MDZDMXLPSA-N 317.344 4.819 30 20 DJED C[C@@H](CC(=O)[C@H](C#N)c1ccc2ccccc2n1)CC(C)(C)C 916848080 ALGHACWRPAJEQO-GOEBONIOSA-N 308.425 4.873 30 20 DJED CCCCc1ccc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1 1129983834 OFGKHMODEPPTOS-INIZCTEOSA-N 320.436 4.734 30 20 DJED Cc1ccc2c(c1)[C@@H](Nc1nc(C)c(C#N)cc1Cl)CCC2 1163427654 PPBMIJXFLCXFGU-KRWDZBQOSA-N 311.816 4.713 30 20 DJED C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1ccc(C#N)s1 1191485424 GSZWYPRGJKKMPD-OLZOCXBDSA-N 318.873 4.897 30 20 DJED CC[C@@H](OC(=O)c1cccc(SCC#N)c1)c1ccccc1 1267052734 LQIUKYJJHNXKJU-QGZVFWFLSA-N 311.406 4.610 30 20 DJED Cc1ccnc(N[C@H](CC2CCCC2)c2ccccc2)c1C#N 1307072552 QEMDCYOCMJMPOH-LJQANCHMSA-N 305.425 4.995 30 20 DJED COc1ccc([C@H](C)SCc2cccc(C#N)c2F)cc1 1307296067 ZROJVMXMMFVXEC-LBPRGKRZSA-N 301.386 4.700 30 20 DJED C[C@H](CCCc1ccccc1)c1nnc(-c2cccc(C#N)c2)o1 1322342409 BTCQYLGQWZVAHR-OAHLLOKOSA-N 317.392 4.735 30 20 DJED C[C@H](OC(=O)CC[C@@H](C)c1ccccc1)c1ccc(C#N)cc1 1354917158 CBHFFPBJLSJJCX-CVEARBPZSA-N 307.393 4.746 30 20 DJED CC[C@H](OC(=O)c1sccc1C#N)c1ccc(Cl)cc1F 1358426725 XIERXQSFHDABDS-ZDUSSCGKSA-N 323.776 4.720 30 20 DJED N#Cc1cc(C(=O)Nc2cccc(-c3ccccc3)c2)ccc1F 1459861968 BBOCKCAAFMNGGT-UHFFFAOYSA-N 316.335 4.617 30 20 DJED N#Cc1cc(NC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)ccc1Cl 1523658418 MBJNZEVENJMEGZ-IAGOWNOFSA-N 324.811 4.734 30 20 DJED C[C@H](C(=O)O[C@H]1CCC[C@@H](C#N)C1)c1ccc2ccccc2c1 1596977854 JCNQQWKEOQAYGX-KHYOSLBOSA-N 307.393 4.569 30 20 DJED COc1cc(C#N)ccc1CN1CCC[C@@H]1c1c(C)cccc1C 1647728163 KWJBEJFFYSXHNL-LJQANCHMSA-N 320.436 4.521 30 20 DJED Cc1cc(F)ccc1C1CCN([C@@H](C#N)c2ccccc2)CC1 1653736811 YZLPLCINMPVLAJ-FQEVSTJZSA-N 308.400 4.578 30 20 DJED COc1cc(C)ccc1CN(Cc1ccc(C#N)cc1)CC(C)C 1657409819 VRPRRLGNJWIFLE-UHFFFAOYSA-N 322.452 4.534 30 20 DJED Cc1cc(C)c(/C=C\C=NNc2cccc(C(=O)O)c2C)cc1C 1776088872 NUMCOMRVJVKSKB-DBWZQGHOSA-N 322.408 4.730 30 20 DJED O=C(/C=C/c1ccccc1C(F)(F)F)c1ccc(F)c(F)c1 6337310 GAMKSZHSPZPIHU-SOFGYWHQSA-N 312.237 4.880 30 20 DJED CCC(CC)=NNc1ncnc2sc(-c3ccccc3)cc12 8284954 CEOMZGYRMSYPEM-UHFFFAOYSA-N 310.426 4.946 30 20 DJED CCCCc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1 41543212 LNTCZWFUCIPSPI-MRXNPFEDSA-N 318.376 4.660 30 20 DJED CCc1ccc(Cl)c(CC)c1NC(=O)c1cc(C#N)cs1 84060394 UYOGLVVLEGOOHW-UHFFFAOYSA-N 318.829 4.650 30 20 DJED C=C(C)[C@H](N[C@H](C)c1cnn(C(C)C)c1)c1ccc(F)c(F)c1 186451967 NSEHNJCQGMIMDD-ACJLOTCBSA-N 319.399 4.710 30 20 DJED COc1cc(C(=O)/C=C\c2ccc(F)cc2F)ccc1SC 207746715 ZVTZUFDYEZOTMU-DAXSKMNVSA-N 320.360 4.591 30 20 DJED C=CCCC(=O)NCC1(c2ccc(Cl)cc2)CCCCC1 303168408 QRZPIISTZITHSR-UHFFFAOYSA-N 305.849 4.624 30 20 DJED COc1cccc(C)c1N=C(O)c1sc(C(C)(C)C)nc1C 331218306 HHCZYBRADYVKOV-UHFFFAOYSA-N 318.442 4.702 30 20 DJED C=CCC[C@H](NC(=O)Nc1scnc1CC)c1ccccc1 437875403 LFUVOECYTAJPAC-HNNXBMFYSA-N 315.442 4.535 30 20 DJED C[C@@H]1CCc2c(F)cccc2[C@@H]1NC1CCC(C)(C#N)CC1 449176812 NRSUJEFHSBZGBV-CRBFVWNYSA-N 300.421 4.511 30 20 DJED C=CCOCCCS[C@H](C)c1ncc(-c2ccccc2)o1 479602430 JKLVWFBYFJUVQA-CQSZACIVSA-N 303.427 4.729 30 20 DJED C=CCCCCCN[C@H](CC)c1nc(C(F)(F)F)cs1 488283834 MLSHTHJTANUZIE-LLVKDONJSA-N 306.397 4.949 30 20 DJED C=C(C)CCc1noc(-c2sc(-c3ccc(C)o3)nc2C)n1 508616358 CIPYYXIHHCLPDK-UHFFFAOYSA-N 315.398 4.579 30 20 DJED CCCCOCCSc1nc(-c2ccccc2)ccc1C#N 510209529 GFXOGPYAYMXWJD-UHFFFAOYSA-N 312.438 4.529 30 20 DJED C=CCn1c(C)nnc1S[C@H](C)c1c(C)cc(C)cc1C 516549192 HSTLKHMWIWZSPF-CQSZACIVSA-N 301.459 4.551 30 20 DJED CCCCOc1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1 517251207 LAURFDNCWIBENR-UHFFFAOYSA-N 320.436 4.516 30 20 DJED N#Cc1cccc(CNc2ccc(-c3cnc(C4CC4)o3)cc2)c1 533219933 MTAYHRKMJYPFCV-UHFFFAOYSA-N 315.376 4.703 30 20 DJED C=C(C)COc1cccc(NC(=O)C(C)(C)c2ccccc2)c1 589384764 MMJPFUNSXUFCSB-UHFFFAOYSA-N 309.409 4.558 30 20 DJED Cc1ccccc1-c1noc([C@H](C)SCC2(CC#N)CC2)n1 596345853 MTECFZDFPPMEPR-ZDUSSCGKSA-N 313.426 4.533 30 20 DJED C[C@H](Nc1cccc(C#N)c1Br)c1ccccc1F 600857162 KGAJRQJGQSWMGJ-JTQLQIEISA-N 319.177 4.633 30 20 DJED Cc1ccc(C)c(Oc2ccc(CNC[C@H](C)CCC#N)cn2)c1 602516281 XNNZIJLTXGQMMO-MRXNPFEDSA-N 323.440 4.520 30 20 DJED C[C@@H](NCCCSCc1ccccc1)c1cccc(C#N)c1 611386959 DAAQVJSTUVPCHJ-MRXNPFEDSA-N 310.466 4.532 30 20 DJED C=CCCOCCCCC(=O)N1CCC[C@H](C2CCCCC2)C1 620688619 BDILMSMQJYSRDT-IBGZPJMESA-N 321.505 4.568 30 20 DJED C#Cc1cccc(N(C(=O)[C@H]2CCCc3ccccc32)C(C)C)c1 728246941 OAXKGBARCMYDCO-NRFANRHFSA-N 317.432 4.529 30 20 DJED Clc1cccc(Cl)c1C=NNc1cccc2cnccc12 728432211 PGEMYBYXMXMZHV-UHFFFAOYSA-N 316.191 4.988 30 20 DJED O=C(/C=C\c1ccc(Cl)c(Cl)c1)c1ccc(O)c(F)c1 728438637 JHDROHYMEPCBBK-DJWKRKHSSA-N 311.139 4.734 30 20 DJED CCOc1ccc(C(=O)/C=C/c2coc(-c3ccccc3)n2)cc1 731835565 ITQQWAOHTRQNFF-JLHYYAGUSA-N 319.360 4.636 30 20 DJED C=CCN(CC1CCCCC1)C(=S)Nc1ccc(C)c(F)c1 732624971 ICOCMZDUYIBZGX-UHFFFAOYSA-N 320.477 4.899 30 20 DJED CC(=NNc1cccc(F)c1)c1cccc(-c2ccncc2)c1 741461734 PRSKMZGMQZXLDK-UHFFFAOYSA-N 305.356 4.724 30 20 DJED Cc1c(CSC(C)C)cccc1N=Cc1cccc(O)c1O 741759010 VNNGRAIEECZIRL-UHFFFAOYSA-N 315.438 4.798 30 20 DJED N#Cc1ccccc1-c1ccccc1C(=O)OCc1ccsc1 744237066 CPYVEBUGOCOVQD-UHFFFAOYSA-N 319.385 4.644 30 20 DJED CCCCCCCCNC(=O)N1C[C@@H](C)C[C@H]1c1cccnc1 754241886 GDOHYFNFNNQRAP-WMZOPIPTSA-N 317.477 4.535 30 20 DJED CCc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)s2)o1 761481801 XRWQNFBBGGAVNE-GQCTYLIASA-N 300.301 4.818 30 20 DJED C=CCOc1ccc(/C=C\C(=O)c2cncc(C)c2)cc1Cl 767367828 QSZQLLANNWKEQD-XQRVVYSFSA-N 313.784 4.504 30 20 DJED C[C@H](C#N)COC(=O)c1sc2cccc(Cl)c2c1Cl 770949578 LBCXZVUDNFUDSI-SSDOTTSWSA-N 314.193 4.525 30 20 DJED N#Cc1c(Cl)nsc1Sc1ccc(F)c(Cl)c1 770964435 CTMDMJAZYNPLAY-UHFFFAOYSA-N 305.186 4.612 30 20 DJED FC(F)C(F)(F)CSCC1CCC(C(F)(F)F)CC1 773469076 XMNNBSXAXTUDRG-UHFFFAOYSA-N 312.294 4.989 30 20 DJED C#Cc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)c1 774810386 HVVWOGWESDKKTQ-UHFFFAOYSA-N 323.701 4.592 30 20 DJED C=CCC[C@H](C(=O)OCc1nc(C)sc1C)c1ccccc1 777767994 CSXQACSBWYROFD-INIZCTEOSA-N 315.438 4.553 30 20 DJED CSc1ccc(/C=C/C(=O)c2ccc(C#N)cc2Cl)cc1 788360132 HBQAETVSTOTZTM-WEVVVXLNSA-N 313.809 4.830 30 20 DJED Cc1cc(SC2CCCCC2)ccc1NCCO[C@H](C)C#N 802742175 CMFJLKUNNQOTLE-OAHLLOKOSA-N 318.486 4.760 30 20 DJED C#C[C@@H](NC1CCC(C(F)F)CC1)c1ccc(Cl)cc1F 809698230 CCHOITTZNFLFNM-MBRGGSNBSA-N 315.766 4.567 30 20 DJED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCC3CC3)n2)cc1 813060970 QGSXGEKNMZUXKL-MRXNPFEDSA-N 324.449 4.875 30 20 DJED CC(=NOCCC(F)(F)F)c1ccc(Oc2ccccc2)cn1 834972337 NHYXUBFPSODJRO-UHFFFAOYSA-N 324.302 4.567 30 20 DJED CCCOc1cc(/C=C/C(=O)c2ccccc2C)ccc1OC 916155877 JQBDXTQSZBZEQC-PKNBQFBNSA-N 310.393 4.689 30 20 DJED Fc1cccc(Cl)c1C=NNc1cccc2c1CCCC2 917552534 JVVYOXKBCOOINM-UHFFFAOYSA-N 302.780 4.804 30 20 DJED CCc1nc2cc(N=Cc3c(O)ccc4ccccc34)ccc2o1 917559093 FYKFFFNCXSJHQL-UHFFFAOYSA-N 316.360 5.000 30 20 DJED O=C1/C(=C\c2ccccc2OC(F)(F)F)Cc2c(F)cccc21 921264473 UOPPBFCUNGFOLW-FLIBITNWSA-N 322.257 4.547 30 20 DJED C=CCOCCCC(=O)N(Cc1ccccc1)c1ccc(C)cc1 1116142371 CHBKPDUWVSBWHC-UHFFFAOYSA-N 323.436 4.511 30 20 DJED C[C@@H]1CC[C@@H](OC(=O)c2ccccc2-c2ccccc2C#N)C1 1127767856 KYWPIYLKVRPCPV-GDBMZVCRSA-N 305.377 4.571 30 20 DJED Cc1nc(N[C@@H](c2ccc(F)cc2)C2CCCC2)ccc1C#N 1162417949 PVBJRNLMVFZBJX-LJQANCHMSA-N 309.388 4.744 30 20 DJED CCOc1ccc(C#N)cc1N[C@@H]1CC[C@@H](CCC(C)C)C1 1205347278 MBYYKMHYHMJKIZ-NVXWUHKLSA-N 300.446 4.974 30 20 DJED CCCC[C@@H](CCC)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1222971473 MJWMFSFBPUNBSL-MAUKXSAKSA-N 315.461 4.620 30 20 DJED CC(C)(CC(=O)Nc1cc(F)cc(C#N)c1)C1CCCCC1 1287804356 WNSRETINZATNKF-UHFFFAOYSA-N 302.393 4.632 30 20 DJED CCc1cccc(CSc2nc(C(F)(F)F)ccc2C#N)c1 1307331777 TYXZNQDVHMZOQA-UHFFFAOYSA-N 322.355 4.827 30 20 DJED CC(C)N(Cc1cccc(C#N)c1F)[C@@H](C)c1ccsc1 1307855619 YSPWPNHNVQVSBH-ZDUSSCGKSA-N 302.418 4.730 30 20 DJED CCCCCCCC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 1326910544 LDGWDUZEWHHGNE-ZDUSSCGKSA-N 310.507 4.978 30 20 DJED N#Cc1ccc(CN(Cc2cc(F)cc(Cl)c2)C2CC2)cc1 1474389532 OUIGDISGMJUFAZ-UHFFFAOYSA-N 314.791 4.515 30 20 DJED CC(C)(C(=O)Nc1cc(C#N)c2ccccc2n1)C1CCCCC1 1520853858 KHTQOQLTLKLAMW-UHFFFAOYSA-N 321.424 4.651 30 20 DJED CC[C@@H](CC(=O)Nc1cc(C#N)ccc1F)c1ccc(C)cc1 1535455702 RBHDQWMAJXNZCH-HNNXBMFYSA-N 310.372 4.528 30 20 DJED CC[C@@H](CN(CC)Cc1ccc(C#N)cc1C)c1ccccc1 1642791034 KIUCGJYHDFFUMB-IBGZPJMESA-N 306.453 4.882 30 20 DJED CC(C)N(Cc1ccc(CC#N)cc1)Cc1cccc(Cl)c1 1644342625 MBIWDQWPPNRQSC-UHFFFAOYSA-N 312.844 4.817 30 20 DJED CCCCN(Cc1ccc(F)c(C#N)c1)[C@@H]1CCC[C@H](C)C1 1645912319 NDPJCEFJKVKLCH-MAUKXSAKSA-N 302.437 4.878 30 20 DJED N#Cc1cc(OCc2ccccc2Cl)ccc1Br 1652243518 XRKNANVCCZMAHE-UHFFFAOYSA-N 322.589 4.553 30 20 DJED CN(Cc1ccc(Cl)cc1C#N)[C@@H]1CCC[C@@H]1c1ccccc1 1653848652 WJSKFNZHYXIRIG-WOJBJXKFSA-N 324.855 4.980 30 20 DJED Cc1cc(CNc2nc3ccccc3n2C(C)(C)C)ccc1C#N 1658514418 TVGYBLQRTUYDOB-UHFFFAOYSA-N 318.424 4.584 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1 66864037 XBKGGXGYGWURDG-UHFFFAOYSA-N 306.818 4.622 30 20 DJED Cc1ccc([C@H](C)N[C@@H](CCC#N)c2ccccc2)cc1[N+](=O)[O-] 90664805 BSAJBYLLUXFAGV-YJBOKZPZSA-N 323.396 4.599 30 20 DJED CCOc1cc(/C=C\C(=O)c2cc(C)sc2C)ccc1OC 111685752 JLAQWHIMNXCXBP-VURMDHGXSA-N 316.422 4.668 30 20 DJED CC(C)COc1ccc(CN[C@H](CCC#N)c2ccccc2)cc1 130387832 YNSQHJVVBIPKNJ-OAQYLSRUSA-N 322.452 4.856 30 20 DJED CC(C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)=C1CCCC1 176631286 FJHNVZOICGHFSY-HNNXBMFYSA-N 323.223 4.565 30 20 DJED Cc1cc2nnc(SCCCC(C)(C)C#N)n2c2ccccc12 177178981 VPGDMNHEVXROSQ-UHFFFAOYSA-N 324.453 4.613 30 20 DJED C[C@H](N[C@@H](C)c1cccc(OC(F)F)c1)c1cccc(C#N)c1 192975247 LRTJUIXDWAXBMC-STQMWFEESA-N 316.351 4.571 30 20 DJED COc1ccc([C@H](C)Nc2cccc(OCCCC#N)c2)cc1 193904569 JVBJXQWXMORJJW-HNNXBMFYSA-N 310.397 4.551 30 20 DJED CC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1OC 341756092 CBUKINIWPUWYGB-VQTJNVASSA-N 320.436 4.685 30 20 DJED CC(C)[C@@H](CCc1ccc(Cl)cc1)NCC1(CC#N)CC1 430724620 ORCLRFHBNXBSJQ-QGZVFWFLSA-N 304.865 4.581 30 20 DJED C[C@@H](NCC1(CC#N)CC1)c1cc2c(ccc3ccccc32)o1 430726589 VNXUZMCKEDBABE-CQSZACIVSA-N 304.393 4.930 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1cccc(-c2nc(C)cs2)c1 439516657 BLTPFKNZTBANTG-CQSZACIVSA-N 315.442 4.595 30 20 DJED C=CCCCC[C@H](C)Nc1ccc(Cl)c(C[S@@](C)=O)c1 449233097 KDPXLCKGGPHVGA-RNODOKPDSA-N 313.894 4.765 30 20 DJED C=CCCCC[C@H](C)Nc1cc(NC(=O)N(C)C)ccc1C 449301786 SQBCXSJQJRSNJM-HNNXBMFYSA-N 303.450 4.635 30 20 DJED Cc1ccc(C#N)cc1OCc1csc(-c2cccs2)n1 468882384 FXRVKVGBVWVIMU-UHFFFAOYSA-N 312.419 4.631 30 20 DJED CCC[C@]1(C)CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 476230330 ZAFMZEOODGGBKW-UYAOXDASSA-N 312.457 4.503 30 20 DJED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)Nc1sccc1C#N 489493237 RRKDEQXTKHAICX-OCCSQVGLSA-N 310.422 4.548 30 20 DJED CC(C)[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 498090959 LWZYFKUIWVISCB-CQSZACIVSA-N 308.381 4.581 30 20 DJED N#Cc1ccc(C2=CCN(Cc3cc4ccccc4o3)CC2)cc1 502549506 ZWVKUZBNAPSGOL-UHFFFAOYSA-N 314.388 4.594 30 20 DJED C=CCC[C@@H](CC)Nc1ccc(NC(=O)CC(F)(F)F)cc1 510992876 DFQJOJUUDUXTLG-GFCCVEGCSA-N 314.351 4.734 30 20 DJED C[C@@H]1CCCCN1Cc1ccccc1CNc1ccc(C#N)cc1 515550445 LUJLDAWUOCLQIP-QGZVFWFLSA-N 319.452 4.545 30 20 DJED C[C@@H](SCCCOc1ccc(F)cc1)c1ccc(C#N)cc1 522839861 OXKAWXRLAYIKQD-CQSZACIVSA-N 315.413 4.961 30 20 DJED CCN(C(=O)c1ccc(-c2cccs2)o1)c1ccc(C#N)cc1 541235289 GAHLYOLNPWKMTB-UHFFFAOYSA-N 322.389 4.546 30 20 DJED COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2CCCC#N)c1 544125419 IEMWAMNBPICOQB-LEWJYISDSA-N 320.436 4.530 30 20 DJED CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCCCC#N 588330075 MAKVDMPPAUFDIQ-MOPGFXCFSA-N 312.457 4.645 30 20 DJED Cc1cccc2[nH]c(CN[C@H]3CCCc4cc(C#N)ccc43)cc12 594950736 PHDXTFJWKSQHBE-FQEVSTJZSA-N 315.420 4.515 30 20 DJED CC[C@@H](CC(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1)C(C)C 609166444 BYAZRWLERMVIFZ-RDJZCZTQSA-N 300.446 4.540 30 20 DJED CCSc1ccc(Cl)cc1N[C@@H](C#N)Cc1ccccc1 609221605 NDTTZAJGJSPSMP-OAHLLOKOSA-N 316.857 4.999 30 20 DJED CC(C)[C@H](NCc1ccnc(C#N)c1)c1ccc(C(C)(C)C)cc1 610994488 RSGBRYSLVVWLMS-FQEVSTJZSA-N 321.468 4.738 30 20 DJED CCCC[C@H](NCc1ccc(C#N)cc1C)c1ccc(OC)cc1 614407743 YLPJSCULQLDOTH-NRFANRHFSA-N 322.452 4.896 30 20 DJED Cc1ccc2sc(/C=C/c3cccc(OCC#N)c3)nc2c1 727744912 WWTUYQREIGRJQY-SOFGYWHQSA-N 306.390 4.678 30 20 DJED Cc1ccc(C2CC(=NNc3ncccc3C(F)(F)F)C2)cc1 729816708 QPMHLFGFQCEYQW-UHFFFAOYSA-N 319.330 4.754 30 20 DJED COCc1ccc(C=NNc2ccc(Cl)cc2Cl)cc1 741756957 UCROHKIIOKQIMV-UHFFFAOYSA-N 309.196 4.586 30 20 DJED CCC(=NNc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCOC1 741836867 FYEAZFXDXIWGFQ-MRVPVSSYSA-N 321.635 4.861 30 20 DJED N#Cc1csc(C=NN(Cc2ccccc2)c2ccccc2)c1 748074057 COTICLXFWDVLSK-UHFFFAOYSA-N 317.417 4.660 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H](C)CCC(C)(C)C)n1 755714956 RIIMWTDSCKRHIU-STQMWFEESA-N 306.475 4.905 30 20 DJED C=CCN(Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)C(C)C 756487918 QKRCXBWTSXCHPA-UHFFFAOYSA-N 324.346 4.757 30 20 DJED CSc1ccc2cc(CON=C3CCC3)c(Cl)nc2c1 760446689 SEXBXDISZCPLAB-UHFFFAOYSA-N 306.818 4.667 30 20 DJED CC(C)(C#N)CCCCOC(=O)c1ccccc1C(F)(F)F 768373456 OXXZLYIYZWVYAE-UHFFFAOYSA-N 313.319 4.582 30 20 DJED C[C@H](C#N)Oc1ccccc1NC/C=C/c1ccc(Cl)cc1 779988819 JTJXXJSFHMINPP-ISZGNANSSA-N 312.800 4.756 30 20 DJED O=C(/C=C\c1cnc2ccc(Cl)cn12)c1csc(Cl)c1 787187143 XQTLFZZIGVTKDK-IHWYPQMZSA-N 323.204 4.599 30 20 DJED COc1cc(NN=C(CC(C)C)c2ccccn2)ccc1Cl 788472509 VZCLESJTENFUGO-UHFFFAOYSA-N 317.820 4.606 30 20 DJED Cc1ccc(C)c(NN=Cc2cscc2Br)c1 794878513 PUAGJGBWHQTHHW-UHFFFAOYSA-N 309.232 4.573 30 20 DJED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CC(C)(C)C3)n2)cc1 796799494 UQWPFEKSPNXYFC-HNNXBMFYSA-N 324.449 4.731 30 20 DJED Cc1ccc(Oc2ccc(NC(=O)CCCCCC#N)cc2)nc1 805180173 FJLLZTPAJSGSOA-UHFFFAOYSA-N 323.396 4.595 30 20 DJED C#CCCCCC(=O)N(C)c1ccc(Cl)c(C(F)(F)F)c1 809320540 HNVOAQPUTROQHT-UHFFFAOYSA-N 317.738 4.515 30 20 DJED C#C[C@@H](NC(=O)Nc1c(CCC)cccc1C(C)C)C(C)C 821565934 MGRYZEPTRCBVNL-QGZVFWFLSA-N 300.446 4.542 30 20 DJED CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OC 916155911 MDPVMFAKYXBTIQ-JXMROGBWSA-N 310.393 4.607 30 20 DJED CCc1c(C(C)=NNc2cccc([N+](=O)[O-])c2)oc2ccccc12 916269223 YZKIUHRUWMNBLV-UHFFFAOYSA-N 323.352 4.740 30 20 DJED CC(=NNc1cc(C)c2cc(Cl)ccc2n1)c1ccc(N)cc1 916543954 KVAXQXMQWBASMQ-UHFFFAOYSA-N 324.815 4.615 30 20 DJED CC(CCc1cccc(C(F)(F)F)c1)=NNc1ccccn1 920365167 PGILTGFPLOKRIW-UHFFFAOYSA-N 307.319 4.521 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)c3ccccc3)c2C#N)[C@H](C)C1 1129227098 QMMMWVMTCGGKOZ-NWDGAFQWSA-N 310.422 4.558 30 20 DJED Cc1c(C#N)cccc1C(=O)N[C@H](C)c1cccc2ccccc12 1264024523 HIADDDACIMZJFE-OAHLLOKOSA-N 314.388 4.511 30 20 DJED Cc1cc(C)cc(C2=CCN(Cc3ccc(CC#N)cc3)CC2)c1 1307586511 WZISRESVXLAOHZ-UHFFFAOYSA-N 316.448 4.659 30 20 DJED C=C(CNCc1cc(C)c(C)cc1OC(F)F)c1ccccc1 1308248967 VHMRVVUFBMCCRB-UHFFFAOYSA-N 317.379 4.708 30 20 DJED N#Cc1ccc(NC(=O)c2c3ccccc3cc3ccccc23)nc1 1323427465 ISXVTGVUYQWZIT-UHFFFAOYSA-N 323.355 4.512 30 20 DJED Cc1ccccc1C1(C(=O)Nc2ccc(C#N)c(Cl)c2)CCC1 1349705929 CXHGVDZVAOXOQY-UHFFFAOYSA-N 324.811 4.581 30 20 DJED CC[C@H](C)c1ccc(C(=O)Nc2cc(C#N)c(F)cc2F)cc1 1438610619 LUFVARZXCUGGSD-NSHDSACASA-N 314.335 4.602 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C[C@H]1C[C@@H]1c1ccccc1 1474319467 KUOBRIKBSDRRCI-NHCUHLMSSA-N 304.437 4.572 30 20 DJED CC(C)(CC1CCCCCC1)NC(=O)c1cccc(CC#N)c1 1523272091 KROPKQDLALUQLP-UHFFFAOYSA-N 312.457 4.622 30 20 DJED Cc1c(C(=O)O[C@H]2CCC[C@H](C#N)C2)sc2cc(F)ccc12 1528490802 SYOFYYRWLLQTKC-AAEUAGOBSA-N 317.385 4.588 30 20 DJED N#C[C@@H](c1ccccc1)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 1559628057 QIDXRWHNTWNLCT-RXVVDRJESA-N 315.420 4.612 30 20 DJED C[C@@H]1CCC[C@@H](CNc2c(Br)cccc2C#N)[C@@H]1C 1612321866 KTUDXJGEOKYSSB-BZPMIXESSA-N 321.262 4.805 30 20 DJED Cc1csc(NC(=O)NCC2(C)CCC(C)(C)CC2)c1C#N 1624564204 IPMBZOZWCJKJFB-UHFFFAOYSA-N 319.474 4.656 30 20 DJED Cc1cccc(C)c1[C@@H]1CCCN1Cc1ccc(F)c(C#N)c1 1643789416 QESNILOZRNHKJH-IBGZPJMESA-N 308.400 4.651 30 20 DJED Cc1cc(N[C@H](C)c2nc(-c3ccccc3)cs2)ncc1C#N 1650729974 WFHNZNVLLVXVKL-CYBMUJFWSA-N 320.421 4.558 30 20 DJED C[C@@H]1C[C@H](CCNc2ncc(C#N)cc2Cl)CC(C)(C)C1 1655434262 LRMPLPLMDYNXPO-OLZOCXBDSA-N 305.853 4.871 30 20 DJED C=CCCC1(C(=O)O)CCN(CCC2C[C@H](C)C[C@@H](C)C2)CC1 1776173148 GGOLPUNOJYKXIA-IAGOWNOFSA-N 321.505 4.582 30 20 DJED N#Cc1cccc(C(=O)Nc2ccccc2Oc2ccccc2)c1 6307094 DVYQOUSJGAUCIK-UHFFFAOYSA-N 314.344 4.603 30 20 DJED C=CCC[C@@H](CCC)N[C@@H](C)c1nc(-c2ccncc2)cs1 90045943 JABUNKUWPWELBE-GOEBONIOSA-N 315.486 4.991 30 20 DJED N#Cc1ccc(CNc2ccc(COC3CCCC3)cc2)cc1 132304665 OPRWEYOJWVUOGS-UHFFFAOYSA-N 306.409 4.630 30 20 DJED C[C@@H](C#N)Oc1ccccc1NCc1cc2ccccc2s1 181130637 FFILWRIECMFDLG-ZDUSSCGKSA-N 308.406 4.804 30 20 DJED CC[C@H](CC1CCCC1)C(=O)Nc1ccccc1O[C@@H](C)C#N 182104831 AOCLPHSCEYURFQ-GOEBONIOSA-N 314.429 4.522 30 20 DJED CC(C)(C)CC(C)(C)NCc1cccc(OCCCC#N)c1 236595257 QQCAOHAYHXYMKK-UHFFFAOYSA-N 302.462 4.674 30 20 DJED Cc1ccoc1C(=O)/C=C\c1csc(-c2cccs2)n1 255050351 PDBKWECTFLWZRS-PLNGDYQASA-N 301.392 4.669 30 20 DJED C[C@H](ON=Cc1ccccc1F)c1ncc(-c2ccccc2)o1 255299780 XGIBLISXZNBAEP-ZDUSSCGKSA-N 310.328 4.592 30 20 DJED OC(=Nc1cccc(OC2CCCC2)c1)[C@@H]1CCc2cccnc21 329327671 UQNSPGLRVKKPKA-GOSISDBHSA-N 322.408 4.721 30 20 DJED CC(C)(C)[C@@H]1CCC[C@H](/N=C(/O)c2ocnc2C2CC2)CC1 329677956 WVHWPBOTOYAWSO-KGLIPLIRSA-N 304.434 4.852 30 20 DJED C[C@@H]1CCC[C@](C#N)(/N=C(/O)CCc2ccc3ccccc3n2)C1 330145500 SHMYAAFUIMUQQQ-QRWLVFNGSA-N 321.424 4.596 30 20 DJED N#Cc1cccc(NC(=O)N2CCCCC[C@@H]2c2ccccc2)c1 409737820 CAZFGOQFVDPQIF-LJQANCHMSA-N 319.408 4.707 30 20 DJED N#CCc1ccc(NC(=O)[C@H](c2ccccc2)C2CC2)c(Cl)c1 411018492 RPQAMISBMCNXEL-GOSISDBHSA-N 324.811 4.538 30 20 DJED CCC(CC)CN(CCC#N)C(=O)Nc1cccc(Cl)c1 426567293 JQDQSEGJKTUUMR-UHFFFAOYSA-N 307.825 4.524 30 20 DJED CC1(C#N)CCC(N[C@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 449297640 GZLHOOCFPSTAKA-IZIZEDOESA-N 300.421 4.524 30 20 DJED CC#CCCCC(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 466868523 RPUGTRBTSWSQFI-UHFFFAOYSA-N 310.397 4.597 30 20 DJED N#C[C@H](NC(=O)c1ccc(C2CCC2)cc1)c1ccccc1Cl 479105703 OGHBNJFKFUEWNU-SFHVURJKSA-N 324.811 4.602 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@H]2CC[C@@H](c3ccccc3F)C2)c1 481085451 DRZZGYHFCZNSSV-WBVHZDCISA-N 322.383 4.648 30 20 DJED CCSc1ccc([C@H](C)Nc2ncc(C#N)cc2Cl)cc1 505598271 VOVIPUBJSXCOEQ-NSHDSACASA-N 317.845 4.892 30 20 DJED C=CC1CCN(C(=O)Nc2ccccc2-c2cccs2)CC1 523625150 VRBLQZQYVVKRCW-UHFFFAOYSA-N 312.438 4.845 30 20 DJED C=CCOc1ccccc1CN[C@@H]1CCc2c(Cl)cccc21 531715408 XVLPGRPLFBXFEX-GOSISDBHSA-N 313.828 4.682 30 20 DJED Cc1coc(-c2cc(NCc3ccc(C#N)cc3F)ccc2C)n1 532568781 PJVLTQYIWRBDGL-UHFFFAOYSA-N 321.355 4.581 30 20 DJED CC(C)Sc1c(Cl)cccc1NCc1ccc(C#N)o1 537722193 DAPRVLDRJCPYGB-UHFFFAOYSA-N 306.818 4.917 30 20 DJED C[C@H]1CC(=O)c2c(OCCCCC(C)(C)C#N)ccc(F)c21 556687270 FGABUTXKRGVNJY-LBPRGKRZSA-N 303.377 4.614 30 20 DJED N#C[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)C1 576602165 XOAVVJHSYBXGSW-ISWURRPUSA-N 322.374 4.623 30 20 DJED CC1=C(C)C[C@@H](C(=O)Nc2ccccc2SCCC#N)CC1 581885006 AEYPPJOLZCHGCJ-HNNXBMFYSA-N 314.454 4.767 30 20 DJED N#C[C@@H](Cc1ccccc1)Sc1ncc(-c2ccc(F)cc2)o1 590666090 DTKZNANTOHWMTE-MRXNPFEDSA-N 324.380 4.708 30 20 DJED CCCCN(C(=O)c1cccc(CC#N)c1)[C@@H](C)c1ccc(C)o1 603739070 AHLYTNQZNYVKCC-INIZCTEOSA-N 324.424 4.658 30 20 DJED C=CCOc1ccc(CN[C@H](C)c2ccsc2)cc1Cl 669830913 BWCSHDIFMWRTRM-GFCCVEGCSA-N 307.846 4.817 30 20 DJED COCc1cccc(/C=C/C(=O)c2ccc(SC)c(F)c2)c1 742434676 MQQODKIGKFDFCI-SOFGYWHQSA-N 316.397 4.590 30 20 DJED C#CCCCN[C@H](C)c1ccc2ccccc2c1OC(F)F 766223721 RWRXQGLKLROUFJ-CYBMUJFWSA-N 303.352 4.505 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc(F)cc2Cl)c(F)c1 767717615 DFRTXEXBVVEKEC-CLTKARDFSA-N 308.711 4.523 30 20 DJED CCOc1ccc(C#N)cc1NC(=O)c1ccccc1C(C)(C)C 771295061 KPSIRUOUDIHAOS-UHFFFAOYSA-N 322.408 4.507 30 20 DJED COc1cc(SC)ccc1N=Cc1cc(Cl)ccc1O 772155165 NVMGBLUFFALOSG-UHFFFAOYSA-N 307.802 4.527 30 20 DJED CC(C)c1nccnc1NN=C1CC=C(c2ccc(F)cc2)CC1 773084981 AGZKSGSPAIENOW-UHFFFAOYSA-N 324.403 4.775 30 20 DJED O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)c1cscn1 776191983 KXLWIOMTRCQNNP-DAFODLJHSA-N 317.719 4.711 30 20 DJED CCc1cnccc1C(=O)/C=C\c1cccc(-c2cccnc2)c1 776193469 ZFTGMPLAVGRNNW-HJWRWDBZSA-N 314.388 4.602 30 20 DJED C=C(C)CN(C)C(=O)Nc1cccc(COCCCCCC)c1 778260327 FUHLBTVKXFRODC-UHFFFAOYSA-N 318.461 4.823 30 20 DJED CC1(C)CC[C@H](C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)C1 781770080 KCOFRBFXTBWXAS-GJZGRUSLSA-N 324.449 4.813 30 20 DJED CC/C=C(/C)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782485191 FPHXKFVTQSVIGC-PJVYJYFWSA-N 318.420 4.759 30 20 DJED Cc1cc(/C=C2\Cc3cc(F)ccc3C2=O)cc2cccnc12 783707097 MLROQVIWGNKZEX-CXUHLZMHSA-N 303.336 4.505 30 20 DJED N#Cc1ccc(NN=Cc2c(Cl)cccc2Cl)cc1Cl 783878281 UIOBTBHFUWSRHV-UHFFFAOYSA-N 324.598 4.964 30 20 DJED C[C@@H](NCC1(CC#N)CC1)c1ccccc1SC(C)(C)C 788801213 LKOFLFAKUHOUPX-CQSZACIVSA-N 302.487 4.922 30 20 DJED CC1(C)C/C(=C/c2scnc2C2CC2)C(=O)c2ccccc21 794970197 WYKMNUINAVJKFB-LCYFTJDESA-N 309.434 4.968 30 20 DJED CC(=O)Nc1ccc(/C=C2\CC(C)(C)c3ccccc3C2=O)cc1 794970300 XPDSGAUGWXAOQO-FOWTUZBSSA-N 319.404 4.593 30 20 DJED COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1C#N 799494928 IJZOUUAHGGTKGN-YRNVUSSQSA-N 313.356 4.616 30 20 DJED C=CCN(Cc1cccs1)C(=O)/C=C/c1ccc(Cl)s1 822264570 AFOSZSGWWDBAMU-SOFGYWHQSA-N 323.870 4.691 30 20 DJED CC(=NNc1cccc(Cl)c1)c1[nH]c(-c2ccccc2)nc1C 915110345 SEBKEPPWZSYAJR-UHFFFAOYSA-N 324.815 4.875 30 20 DJED CCOc1ccc(/C=C\C(=O)c2ccc(Cl)s2)cc1OC 916135801 UILPPVCZZANBRB-XQRVVYSFSA-N 322.813 4.705 30 20 DJED CSc1ccc(/C=C\C(=O)c2ccc(OC(F)F)cc2)cc1 916137770 USVPUMUFFCZZTH-WCIBSUBMSA-N 320.360 4.906 30 20 DJED CC(=NNc1nc(-c2ccccc2)cs1)c1cccc(F)c1 916545777 YDNOREISSCFZFW-UHFFFAOYSA-N 311.385 4.785 30 20 DJED CN(CCC#N)c1ccc(CNc2cccc3c2CCCC3)cc1 916840230 FYWRKJFGLCSHNF-UHFFFAOYSA-N 319.452 4.527 30 20 DJED N#Cc1ccc(Cl)cc1Oc1cnc2cc(Cl)ccc2n1 1307000042 SBFQLRKYDHRZOZ-UHFFFAOYSA-N 316.147 4.601 30 20 DJED N#CCOc1ccc(N[C@H]2CC=C(c3ccc(F)cc3)CC2)cc1 1321027330 LHOVATHIBDZWLT-SFHVURJKSA-N 322.383 4.776 30 20 DJED C=C(C)C(C)(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)o1 1333128272 SQNNYMLVGHDEFO-LLVKDONJSA-N 306.793 4.717 30 20 DJED CCCCC/C(C=NNCC1CCOCC1)=C/c1ccccc1 1339161071 HWCARYVMFNDYPN-ONIVSHHZSA-N 314.473 4.652 30 20 DJED CC[C@](C)(C#N)C(=O)Nc1ccc(CCCc2ccccc2)cc1 1360567634 OOJGXYKXPVHSLE-OAQYLSRUSA-N 320.436 4.740 30 20 DJED N#Cc1sc(N[C@H](C2CCCCC2)C2CCC2)nc1Cl 1458454777 OEMDUBRDQNMINQ-CYBMUJFWSA-N 309.866 4.829 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)Nc1ccc(C#N)cc1OC 1458658264 MIMASCLWQMWDEC-INIZCTEOSA-N 314.429 4.502 30 20 DJED C[C@@H](CSc1cccnc1C#N)c1ccc(C(F)(F)F)cc1 1473031371 UHKNOKXTYMJAII-NSHDSACASA-N 322.355 4.868 30 20 DJED CCCC[C@H]1CCC[C@H]1NCc1cc(Cl)ccc1OCC#N 1473356378 XGDQSPDNXHLZSV-WMLDXEAASA-N 320.864 4.691 30 20 DJED CC(C)C[C@H]1CCCCCN1C(=O)Nc1cc(C#N)ccc1F 1476715393 UXWUDSLXWYTCAN-OAHLLOKOSA-N 317.408 4.520 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)c1ccc2cnccc2c1 1525265896 KVDXCZYPZBSHJQ-UHFFFAOYSA-N 323.355 4.512 30 20 DJED CCc1ccccc1CCN(Cc1ccc(C#N)cc1)CC(C)C 1559505126 AWYSEWWEDBEOQJ-UHFFFAOYSA-N 320.480 4.821 30 20 DJED CCN(CC1(CC#N)CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 1559536249 OMIZGOHHAVPEBW-ZDUSSCGKSA-N 310.363 4.782 30 20 DJED Cc1cc(CN(C)[C@@H](C)c2cccc(C#N)c2)c2ccccc2n1 1559930741 GHEDIAYQDHDARB-INIZCTEOSA-N 315.420 4.608 30 20 DJED CCC[C@H](C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1cccc(Cl)c1 1584703732 WZLUHDHAGYWDKH-XYPHTWIQSA-N 319.832 4.849 30 20 DJED CC(C)(C)C1CCC(CN[C@@H]2CCc3cc(C#N)ccc32)CC1 1657892557 ZICXGSIZWYYHOY-PKUWUEBNSA-N 310.485 4.988 30 20 DJED C[C@H](NCc1ccc(F)c2ccccc12)c1cccc(C#N)c1 1660698056 WPVHCJVNCZFPRI-AWEZNQCLSA-N 304.368 4.701 30 20 DJED O=C(/C=C/c1ccc(O)c(Cl)c1)c1ccc(F)c(Cl)c1 49372054 DXNIHAZVDZSVIB-ORCRQEGFSA-N 311.139 4.734 30 20 DJED O=C1/C(=C/c2csc(-c3ccsc3)n2)Cc2ccccc21 66405371 UONJRSYBXUQPNV-MDWZMJQESA-N 309.415 4.694 30 20 DJED CCCN(C(=O)c1cc(C#N)cs1)c1cccc2ccccc12 84088752 RQTJZHMVLZDQQL-UHFFFAOYSA-N 320.417 4.830 30 20 DJED N#CCCN(Cc1ccco1)Cc1c(Cl)cccc1Cl 96970452 FFEYJVGWZXTOAN-UHFFFAOYSA-N 309.196 4.502 30 20 DJED N#Cc1cc(F)ccc1CSC1=Nc2ccccc2CS1 102971984 ABAFZJOGAWLLKL-UHFFFAOYSA-N 314.410 4.865 30 20 DJED C=CCCO[C@H](C)C(=O)Oc1c(Cl)cc(Cl)cc1Cl 109238283 SWZUISBNEADQLS-MRVPVSSYSA-N 323.603 4.533 30 20 DJED C=C[C@H](CC(=O)Nc1cc(OC)ccc1Cl)c1ccccc1 160309079 VSEDBRVUPZTKFW-CYBMUJFWSA-N 315.800 4.647 30 20 DJED C=CCN(C(=O)c1scnc1C1CCCC1)c1ccccc1 183931061 SXBPCAWJGPKKCP-UHFFFAOYSA-N 312.438 4.634 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)CC[C@H](C)c1ccccc1 189913105 GAXNIDWKUPCIQX-INIZCTEOSA-N 300.446 4.501 30 20 DJED CCOc1cc(/C=C\C(=O)c2cccc(Cl)c2)ccc1OC 206089685 WOBADDNVJIVODC-CLFYSBASSA-N 316.784 4.643 30 20 DJED CCN(CC)c1ccc(C=Nc2cccc3cccnc23)c(O)c1 254447987 JOWSVZIIGZEMPO-UHFFFAOYSA-N 319.408 4.537 30 20 DJED C=CCCN(C)C(=O)Nc1cccc(COc2ccccc2)c1C 276068664 JNZPGISKOCYNIG-UHFFFAOYSA-N 324.424 4.614 30 20 DJED COc1ccc([C@@H]2CCCN2c2cc(Cl)ccc2C#N)cc1 301257621 DUFIZGHDYMIWOD-KRWDZBQOSA-N 312.800 4.562 30 20 DJED C[C@H](Nc1ccc(F)c(C(F)(F)F)c1)c1cccc(C#N)c1 315342531 XAVSTWLDFXDYCS-JTQLQIEISA-N 308.278 4.889 30 20 DJED CN(C(=O)Nc1ccc(C#N)cc1)C1CCC(C(C)(C)C)CC1 409690183 CYNZLUZACAEHIH-UHFFFAOYSA-N 313.445 4.627 30 20 DJED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 410133939 FSBBFVXOKORFOT-RWMBFGLXSA-N 312.240 4.568 30 20 DJED C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(C2CC2)cc1 417354525 MBRFOPFPIULSJG-LHSJRXKWSA-N 302.421 4.774 30 20 DJED N#CCN(Cc1cc(Cl)cc(C(F)(F)F)c1)C1CCCC1 438095276 IDXVGBGPELVDMM-UHFFFAOYSA-N 316.754 4.627 30 20 DJED Cc1ccc(SC2(CN[C@@H]3CC[C@H](C#N)C3)CCCC2)cc1 442794337 RWZSAWYFEVNXET-DLBZAZTESA-N 314.498 4.682 30 20 DJED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCC1CCCC1 464953460 ORFWXGVDWHXDLI-PMACEKPBSA-N 324.468 4.645 30 20 DJED N#CCSCCCN(Cc1ccccc1Cl)C1CCCC1 466726791 FBAQBRNBMPAXMN-UHFFFAOYSA-N 322.905 4.731 30 20 DJED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1 474094297 GMACWTWKNNDCDO-UHFFFAOYSA-N 316.763 4.533 30 20 DJED C=CCCCC(=O)Nc1ccccc1OCCc1ccccc1 480711555 XXKAWGCZRKODTK-UHFFFAOYSA-N 309.409 4.603 30 20 DJED CC(C)(C#N)c1ccccc1COc1ccc2ncccc2c1 486898299 BSAFZRIHCDCVKM-UHFFFAOYSA-N 302.377 4.615 30 20 DJED N#Cc1cc(Cl)cc(OCc2cc(-c3cccs3)on2)c1 487285064 HGJJSBVYQJGIMD-UHFFFAOYSA-N 316.769 4.507 30 20 DJED CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 523438478 CBXBZORBAPPISW-LRDDRELGSA-N 319.836 4.644 30 20 DJED C=CCCNc1ccccc1C(=O)Nc1cccc(Cl)c1 524849547 MSTDOMCRJPBMRK-UHFFFAOYSA-N 300.789 4.580 30 20 DJED C=CC[C@H](C)NC(=O)Nc1cccc(CSC2CCCC2)c1 524932811 UWJFCFAOPIHGON-AWEZNQCLSA-N 318.486 4.949 30 20 DJED C[C@H](Cc1cccc(C(F)(F)F)c1)NCC(C)(C)CCC#N 554078004 FTDWRAUMTUIKMM-CYBMUJFWSA-N 312.379 4.556 30 20 DJED Cc1ccc2c(c1)[C@H](N[C@@H]1CCCc3cc(C#N)ccc31)CC2 557483717 RSKXUZGBQCGGKO-NHCUHLMSSA-N 302.421 4.521 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NC1CC(c2cccc(F)c2)C1 558081271 UUXGLUFBIKYKNR-XTXLOEGASA-N 320.411 4.611 30 20 DJED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)Nc1ccccc1CC#N 558190564 QTTHNMROVCMXET-WBVHZDCISA-N 318.420 4.681 30 20 DJED N#Cc1ccc(F)c(CNc2ccc(-c3ccco3)cc2F)c1 573334818 QNSNHEFTZZKUNH-UHFFFAOYSA-N 310.303 4.709 30 20 DJED N#Cc1ccc(SCc2ccc(F)c(C#N)c2)c(Cl)c1 576235408 RGUVAZYVWQFRQJ-UHFFFAOYSA-N 302.761 4.515 30 20 DJED C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1cccc(C2CC2)c1 578032331 KJRIEKXVGCVFJG-CQSZACIVSA-N 319.408 4.513 30 20 DJED C[C@H](CCC#N)CNc1ccccc1COCc1ccccc1 602493757 KQEWBCAROLPFIQ-QGZVFWFLSA-N 308.425 4.755 30 20 DJED CC(C)(CC(F)(F)F)NCc1cc(F)cc(C(F)(F)F)c1 681988971 MTSKKDRXUSKORV-UHFFFAOYSA-N 317.248 4.665 30 20 DJED N#Cc1sc(NCc2c(Cl)cccc2Cl)nc1Cl 696872767 FPJBVDPXVGBDKT-UHFFFAOYSA-N 318.616 4.587 30 20 DJED C#Cc1cccc(NC(=S)N(CCC)Cc2ccc(C)cc2)c1 726444398 OGCUTSONUBMLRI-UHFFFAOYSA-N 322.477 4.585 30 20 DJED CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc(F)c(Cl)c1 727973037 ALFNKVWWFHDHQE-UHFFFAOYSA-N 321.739 4.532 30 20 DJED Cc1ncccc1C=NNc1c(Cl)cc(Cl)cc1Cl 728778060 OIGNBVLHGUKADC-UHFFFAOYSA-N 314.603 4.796 30 20 DJED CCCCCCCCC(=O)Nc1c(F)cccc1-n1cccn1 730195718 ZQEASVOGRCBICA-UHFFFAOYSA-N 317.408 4.701 30 20 DJED C[C@@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)C(C)(C)C 734706360 FDLWXWALNSUVLU-GXSJLCMTSA-N 320.845 4.808 30 20 DJED CC1=CC(=NNc2c(F)cc(F)cc2Br)CCC1 741771821 NZFJZUWHNBMYHY-UHFFFAOYSA-N 315.161 4.625 30 20 DJED CCCOc1ccc(C(=O)/C=C\c2cccc(COC)c2)cc1 742431978 RGCOGBAAHXQDJT-GHXNOFRVSA-N 310.393 4.518 30 20 DJED CC(C)(C)c1ccc(/C=C/C(=O)c2ccc3c(c2)COC3)cc1 742437557 VKASOXHLXWCCNI-IZZDOVSWSA-N 306.405 4.910 30 20 DJED O=C(/C=C\c1cnc(-c2cccs2)s1)c1cccc(F)c1 751514586 ZUAHIMGSQMWYOI-SREVYHEPSA-N 315.394 4.907 30 20 DJED CC(C)c1nc(C(=O)/C=C/c2cnc(-c3ccccc3)s2)co1 752888671 NXLSDHWUJINKTM-CMDGGOBGSA-N 324.405 4.818 30 20 DJED Cc1ncsc1/C=C1\CCc2c(sc3ccccc23)C1=O 763100964 KJGDJOFPRWQRHB-DHZHZOJOSA-N 311.431 4.879 30 20 DJED C[C@H](N[C@H](C)c1nc2ccccc2s1)c1cccc(C#N)c1 766348791 BHUUZQVWMPKWQX-QWHCGFSZSA-N 307.422 4.580 30 20 DJED CCCCCCCC[C@H](C)Cc1nc(-c2ccc(O)nc2)no1 771186983 MVSYNGUSELDVOV-AWEZNQCLSA-N 317.433 4.766 30 20 DJED C[C@@H](Nc1ccc(OC(F)(F)F)cc1)c1ccc(C#N)c(F)c1 776796619 QMTMUKIIPHZXES-SNVBAGLBSA-N 324.277 4.769 30 20 DJED C#CCCCCCC(=O)N1CCCc2cc(C(F)(F)F)ccc21 779800854 QNTIFGDKAACULA-UHFFFAOYSA-N 323.358 4.568 30 20 DJED COc1cc(-c2ccccc2)ccc1/C=C\C(=O)c1cccnc1 781106491 LQIKKZXJFOVNNP-QXMHVHEDSA-N 315.372 4.653 30 20 DJED O=C(O)c1csc(/C=C/C(=O)c2cc3ccccc3s2)c1 782206211 IRSFQDBZCOAEPQ-AATRIKPKSA-N 314.387 4.557 30 20 DJED Cc1ccc(C)c2c1CC/C(=C\c1scnc1C1CC1)C2=O 782350626 BMSJZWVSMJNNMR-NTEUORMPSA-N 309.434 4.850 30 20 DJED C=CCCCCCCNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 805221003 IWCPPCIADFEHLW-UONOGXRCSA-N 305.384 4.608 30 20 DJED C[C@@H]1/C(=C\c2csc(-c3ccccn3)n2)C(=O)c2ccccc21 809158268 ZQGIBZIYXHOHSK-SEJMYLSOSA-N 318.401 4.589 30 20 DJED O=C(/C=C\c1cscc1C(F)(F)F)c1ccc2c(c1)COC2 811691475 NGPIWOUWFPOELZ-ARJAWSKDSA-N 324.323 4.693 30 20 DJED CCCCCCCCCCC(=O)N[C@@H]1C[C@H](C)n2ccnc21 836952576 BPQPZUYVTGQEBQ-JKSUJKDBSA-N 305.466 4.536 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCC=C(Cl)Cl 849315030 UUJZSPLOYWVYSQ-SNVBAGLBSA-N 301.242 4.812 30 20 DJED COc1ccccc1-c1nc(CSCCC(C)(C)C#N)co1 865282195 PSSTXMWBZYDDES-UHFFFAOYSA-N 316.426 4.523 30 20 DJED C[C@@H](C#N)OC(=O)/C=C\c1ccc(-c2ccccc2Cl)s1 900053346 FUSYDLZWXBWABM-DVBBHNHCSA-N 317.797 4.537 30 20 DJED CC1(C)CCCC[C@@H]1C(=O)N(c1cccc(C#N)c1)C1CCC1 1130955211 DHWPAYFKCUQZLA-GOSISDBHSA-N 310.441 4.660 30 20 DJED C[C@H](c1ccccc1F)N1CCC(c2ccc(C#N)cc2)CC1 1176579007 QQKQAHMERXFZPP-OAHLLOKOSA-N 308.400 4.638 30 20 DJED CCC[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1OC(F)F 1193648875 JMAFPMCDGDKDRI-HOCLYGCPSA-N 322.399 4.608 30 20 DJED CCc1ccc(C2=CCN([C@H](C)c3cccc(C#N)c3)CC2)cc1 1307638861 UNYYANNQPAGGGB-QGZVFWFLSA-N 316.448 4.971 30 20 DJED Cc1ccc(N(Cc2ccc(F)c(C#N)c2)CC(C)C)c(C)c1 1307903152 RRPUQAHFCLDMCF-UHFFFAOYSA-N 310.416 4.977 30 20 DJED CC[C@H](NC(=O)CC1(C#N)CCCCC1)c1ccc(Cl)cc1 1354555372 JQLKJSGOBVEYJX-INIZCTEOSA-N 318.848 4.771 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)c1cc(Cl)cs1 1436732448 VKRSOZMXFOEZLI-UHFFFAOYSA-N 312.781 4.679 30 20 DJED C=C(Cl)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 1458791859 FTCOJHIRVMLONJ-UHFFFAOYSA-N 307.176 4.702 30 20 DJED Cc1cc(C#N)cc(N[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)c1 1474578244 QQNPPSJNIGSNQS-RTBURBONSA-N 306.409 4.525 30 20 DJED CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ccsc1C#N)CCC2 1520854840 NXXGTRVTMCVIKV-QGZVFWFLSA-N 324.449 4.551 30 20 DJED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)O[C@@H]1CCC[C@@H](C#N)C1 1525049190 RMYDFROCQAMBGB-QBPKDAKJSA-N 311.425 4.602 30 20 DJED Cc1cc(CN(C)[C@@H]2CCC[C@@H]2c2ccccc2)ccc1C#N 1621386296 XRLFTBZHNDSOAY-NHCUHLMSSA-N 304.437 4.635 30 20 DJED CC[C@H](C#N)C(=O)Nc1ccc(Sc2ccc(C)c(C)c2)cc1 1624970574 YHVBGGUTLAAVCE-OAHLLOKOSA-N 324.449 4.943 30 20 DJED N#Cc1nc(NC2CCC(c3ccccc3)CC2)ccc1Cl 1639264819 RAJYZCXCNXSRKK-UHFFFAOYSA-N 311.816 4.745 30 20 DJED Cc1cc(C#N)ccc1CN(Cc1ccccc1)CC(C)(C)C 1641734770 PQNMKKFWRLGHTH-UHFFFAOYSA-N 306.453 4.915 30 20 DJED C=C(Cl)CN1CCCC[C@H]1c1cccc(C(F)(F)F)c1 1642830105 OFZHOEKCDMQHCQ-AWEZNQCLSA-N 303.755 4.985 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cccc2ccoc12 1651788561 LMIGBTKCUNVVTJ-UXHICEINSA-N 316.404 4.705 30 20 DJED Cc1cc(F)cc2c1N(Cc1ccc(Cl)cc1C#N)CCC2 1652761170 PZMPYOCURMKWHA-UHFFFAOYSA-N 314.791 4.612 30 20 DJED CCc1ccc([C@H]2CCCN([C@@H](C#N)c3ccccc3)C2)cc1 1654379876 QGRJJHZPGULFCB-SFTDATJTSA-N 304.437 4.693 30 20 DJED CC[C@@H](C)CSc1cc(C)c(C#N)c2nc3ccccc3n12 1655263262 CHFACIXQYRTMHG-GFCCVEGCSA-N 309.438 4.806 30 20 DJED C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1ccc(Cl)cc1C#N 1657320288 ARBRHPINOILUCR-RDTXWAMCSA-N 310.828 4.590 30 20 DJED CCCC[C@H](CC)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 1857788287 FXRUXCVEKBADLL-AWEZNQCLSA-N 322.323 4.806 30 20 DJED N#Cc1cccc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1 59270280 ZAEDQXFZPQOASX-FNORWQNLSA-N 302.160 4.761 30 20 DJED N#CCC[C@@H](N[C@@H]1CCSc2ccccc21)c1ccccc1 90664514 PHQQAZOWEOLJQX-QZTJIDSGSA-N 308.450 4.858 30 20 DJED O=C(/C=C\c1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 111681896 NGFILPVIMGBQBG-TWGQIWQCSA-N 321.254 4.510 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc(N2CCCC2)c1 126528226 SMSYSSDVHPSQOV-SJORKVTESA-N 319.452 4.570 30 20 DJED CC(C)COc1cccc(CN[C@@H](CCC#N)c2ccccc2)c1 126786210 WPJINUYQOYXDCE-NRFANRHFSA-N 322.452 4.856 30 20 DJED Cc1cc(Cl)ccc1NCc1ccc(O[C@H](C)C#N)cc1 135936996 OUSPBYNRPKBDKP-CYBMUJFWSA-N 300.789 4.551 30 20 DJED COc1ccc(OCCCSCCCC(C)(C)C#N)cc1 161171849 VGALXDAMIZUFSO-UHFFFAOYSA-N 307.459 4.527 30 20 DJED C[C@H](NCc1cccc(C#N)c1)c1ccc(SC(F)F)cc1 175002711 LJBHKXMKWCPGLF-LBPRGKRZSA-N 318.392 4.724 30 20 DJED CC(C)(C#N)CCCNc1ccc(Cl)c(OC(F)F)c1 182610245 HMFBBQDBHACYJK-UHFFFAOYSA-N 302.752 4.683 30 20 DJED COc1cc(C)c(NCc2ccccc2C(C)(C)C#N)cc1F 184571679 MFEXXYZVWACTRW-UHFFFAOYSA-N 312.388 4.556 30 20 DJED C=CCC[C@H](NCc1cnc(C(C)(C)C)nc1)c1ccccc1 284440662 STRSFRKYAHOJPS-SFHVURJKSA-N 309.457 4.571 30 20 DJED C[C@@H]1C[C@@H](C(O)=Nc2nc3ccc(Cl)cc3s2)CCC1=O 328869813 CZUOSCHUODDANA-BDAKNGLRSA-N 322.817 4.543 30 20 DJED CC[C@H]1C[C@@H](C(O)=Nc2onc(C3CCCCC3)c2C)CCO1 330126406 ISAYQYMGOJODAZ-GJZGRUSLSA-N 320.433 4.824 30 20 DJED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 410133566 IPRFYLTXAOFJPX-IACUBPJLSA-N 312.240 4.568 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1cc(-c2cccnc2)ccc1C 432801648 XLBQHZODAWRPJI-SFHVURJKSA-N 321.424 4.629 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1ccc(C(F)F)cc1 461399507 GDXQXZBITLYTLX-UHFFFAOYSA-N 314.379 4.908 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1cc(-c2ccccc2)no1 482732615 COHOILFDLRQVQQ-UHFFFAOYSA-N 324.424 4.550 30 20 DJED CCC1(CC)CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 486530670 RWDAMPYXAWZOHD-UHFFFAOYSA-N 319.836 4.646 30 20 DJED CC(C)OC[C@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 500450444 GUUUTDVCCCSFMY-DLBZAZTESA-N 322.452 4.689 30 20 DJED CCC[C@@H](C(=O)N(CC)c1ccc(C#N)c(Cl)c1)C(C)C 539173304 PPEOUKYXXDCYRZ-OAHLLOKOSA-N 306.837 4.637 30 20 DJED C=CCOc1ccccc1CN[C@H](c1ccccc1)C(F)(F)F 571813850 UKOFDNCKENYIIP-QGZVFWFLSA-N 321.342 4.645 30 20 DJED C=CCCOCCCCc1nc(-c2ccc3ccccc3c2)no1 575025856 BIKPLUNHZLVCRM-UHFFFAOYSA-N 322.408 4.805 30 20 DJED Cc1ccc(-c2ncc(/C=C\C(=O)c3cncc(C)c3)s2)cc1 588476164 CNVOFLJWLDNQGM-FPLPWBNLSA-N 320.417 4.718 30 20 DJED Cc1ccc(C)c(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c1 592975557 IWXLEDBLFQIHSU-CQSZACIVSA-N 324.380 4.542 30 20 DJED CCCOc1cc(C)ccc1NC(=O)CC1(C#N)CCCCC1 596848401 LNLIFLICPNFSGI-UHFFFAOYSA-N 314.429 4.587 30 20 DJED CC(C)(C)c1ccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 603934509 AYMYSDLKMUIOBD-UHFFFAOYSA-N 323.440 4.665 30 20 DJED C=CCC[C@@H](NCc1c(F)c(F)cc(F)c1F)c1ccco1 671752918 BEAJBGKKELVWCN-CYBMUJFWSA-N 313.294 4.633 30 20 DJED CC(C)(C)SCC/N=C/c1cc(Cl)cc(Cl)c1O 727265072 HHGLATNAMITVMB-LZYBPNLTSA-N 306.258 4.650 30 20 DJED C=C(C)COc1cccc(NC(=S)N[C@@H]2CCCC[C@@H]2C)c1 727283993 ALHYYHPESOZPNV-WMLDXEAASA-N 318.486 4.507 30 20 DJED COc1ccc(O)c(C=Nc2ccc(-c3csc(C)n3)cc2)c1 730547235 QRLZUJNBDTXOIM-UHFFFAOYSA-N 324.405 4.583 30 20 DJED CC(C)c1ccc2c(Cl)c(C(=O)O[C@H](C)C#N)sc2c1 732684964 RJNIKGUFMDWMJE-SECBINFHSA-N 307.802 4.747 30 20 DJED O=C1/C(=C\c2cc(C(F)(F)F)ccc2F)Cc2cc(F)ccc21 734304950 BTTSFFQMCCGHJG-WDZFZDKYSA-N 324.248 4.806 30 20 DJED CC(C)n1cc(C(=O)/C=C/c2cc(Cl)ccc2Cl)cn1 753716946 HPKZOUOAQNWBFD-ZZXKWVIFSA-N 309.196 4.667 30 20 DJED C#CC[C@H](NCc1ccc(-c2ccccc2F)o1)c1ccccc1 756996280 PQOXYIFUJJQCKH-FQEVSTJZSA-N 319.379 4.940 30 20 DJED Cc1[nH]c2ccccc2c1C(=O)/C=C\c1cnc(C(C)C)s1 758430017 NUWFEGATUAAYSF-HJWRWDBZSA-N 310.422 4.952 30 20 DJED C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)CC(F)(F)F)cc1 768271169 KBMOHAZHPCHKPG-RYUDHWBXSA-N 321.770 4.809 30 20 DJED CC(C)Oc1ccc([C@@H]2CCCC2=NO[C@@H]2CCCCO2)cc1 776774939 DGCBFODCFDWQRK-PKOBYXMFSA-N 317.429 4.641 30 20 DJED C=C[C@](C)(CCOC)C(=O)Nc1ccc(Nc2ccccc2)cc1 783534214 KBGIDDHKWPEUFY-HXUWFJFHSA-N 324.424 4.598 30 20 DJED C=C[C@@](C)(CC)C(=O)O[C@@H](C)c1nc2ccccc2n1C(F)F 785756772 CTVFNMNYEWVBCQ-GTNSWQLSSA-N 322.355 4.638 30 20 DJED Cc1ccc(-c2csc(CON=Cc3cccs3)n2)cc1 795201471 RYLRPXVVDRZYCG-UHFFFAOYSA-N 314.435 4.731 30 20 DJED C[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(F)cc1 795989065 DHROJOMWCOKGLZ-RHSMWYFYSA-N 311.356 4.517 30 20 DJED Cc1cc(C(=O)/C=C\c2nc3ccc(F)cc3s2)oc1C 799897285 NOSOGEVJHVLBKZ-WAYWQWQTSA-N 301.342 4.541 30 20 DJED CC(C)[C@@H](OC(=O)CCCC#N)c1ccc(C(F)(F)F)cc1 813079067 ZOVQNDXOLXXSPB-OAHLLOKOSA-N 313.319 4.640 30 20 DJED CC1(C)CC(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 1125976937 QDHKHKAETFCMPS-UHFFFAOYSA-N 320.392 4.725 30 20 DJED CC(C)Cc1cccc([C@H](C)C(=O)N(C)c2ccc(C#N)cc2)c1 1126426236 UQNSDSAFDUKCPA-INIZCTEOSA-N 320.436 4.523 30 20 DJED C=C[C@@](C)(CC)c1nnc(CSc2ccc(Cl)cc2)o1 1261572317 ILZPSXVIBSQULL-HNNXBMFYSA-N 308.834 4.869 30 20 DJED Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(Cl)c(C#N)c2)cc1C 1264297623 MSXQXHFPEILLGN-DLBZAZTESA-N 324.811 4.571 30 20 DJED CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 1354849696 QYJNRGLQZXKTDD-WCQYABFASA-N 316.470 4.509 30 20 DJED C[C@@H](C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C1CCC1 1434876186 MZFCPKARFGRQNX-CQSZACIVSA-N 320.392 4.725 30 20 DJED Cc1cccc(C)c1[C@H](C)OC(=O)c1ccc(C#N)c(Cl)c1 1435585644 VXHBBNDKEVDKEK-ZDUSSCGKSA-N 313.784 4.747 30 20 DJED N#CCC1(CN(Cc2ccccc2F)C2CCCCC2)CC1 1473286158 FFFAVVPAHQQVMA-UHFFFAOYSA-N 300.421 4.654 30 20 DJED Cc1ccc([C@@H]2CCC[C@@H]2OC(=O)c2cccc(C#N)c2C)cc1 1518081244 QTIMJZHQPPNNQE-PMACEKPBSA-N 319.404 4.668 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CC1CCC(C)(C)CC1 1529380843 RDMXDXYFBBLJIB-HNNXBMFYSA-N 312.457 4.684 30 20 DJED C[C@H](CN(C)C(=O)c1ccc(C#N)c(Cl)c1)C1CCCCC1 1535128195 LOQVMODKFMGDSV-CYBMUJFWSA-N 318.848 4.500 30 20 DJED CCc1c(C)sc(NC(=O)CC2CCCCCC2)c1C#N 1536889375 IZUOSHOCWMVBRB-UHFFFAOYSA-N 304.459 4.790 30 20 DJED C=C(Br)CN1CCCC[C@@H]1CCCc1ccccc1 1559669929 VHVNVLOTZYBGRL-QGZVFWFLSA-N 322.290 4.772 30 20 DJED Cc1ccc(-c2ncc(CNc3cccc(C#N)c3)s2)cc1C 1560415499 PHXSAHQGHGWDDA-UHFFFAOYSA-N 319.433 4.911 30 20 DJED C[C@@H](CCC#N)CNc1ccc(Oc2ccccc2)c(C#N)c1 1560779673 VBGJPHBYLDVSJQ-HNNXBMFYSA-N 305.381 4.702 30 20 DJED CC[C@H](c1ccccc1)N(CC)c1snc(Cl)c1C#N 1611893015 NUOJAJBKCQPJER-CYBMUJFWSA-N 305.834 4.646 30 20 DJED CCCN(CCc1ccccc1CC)Cc1ccc(C#N)cc1 1615170182 ZNTHBJOKLPAXMU-UHFFFAOYSA-N 306.453 4.575 30 20 DJED CC(C)(C)CN(CCC#N)CCCc1c(F)cccc1Cl 1621144825 SNTHTXWPLGJHSL-UHFFFAOYSA-N 310.844 4.673 30 20 DJED CCS[C@@H]1CCCC[C@@H]1Nc1nc(C(C)(C)C)ccc1C#N 1639586214 FPMVMPMVQPFVOD-LSDHHAIUSA-N 317.502 4.727 30 20 DJED COc1ccc(C#N)cc1CN(c1ccc(Cl)cc1)C(C)C 1652801622 AQPAGXVKMGAFNA-UHFFFAOYSA-N 314.816 4.635 30 20 DJED Cc1c(C#N)c(SC[C@H]2CCCC[C@@H]2C)nc2c1CCC2 1656127658 PVPZMHNPZXLVBT-GXTWGEPZSA-N 300.471 4.669 30 20 DJED N#C[C@@H]1CC[C@H](NCC2(c3cccc(Cl)c3)CCCCC2)C1 1659259017 MTVZTWXEIWXQDN-QAPCUYQASA-N 316.876 4.824 30 20 DJED CC(C)CC[C@@H]1CCCC1=NNc1ccc(C(=O)O)c(F)c1 1776074034 CVSWOBBZMVBSFN-LBPRGKRZSA-N 306.381 4.528 30 20 DJED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCCC1 56469609 SKSGEFXBTWPORH-UHFFFAOYSA-N 320.392 4.788 30 20 DJED CC[C@H](C#N)Oc1cccc(CNc2nc3ccccc3s2)c1 72948867 VIYWQHRGUBGBEA-CQSZACIVSA-N 323.421 4.589 30 20 DJED C[C@H](NCc1cccc(C#N)c1)c1cccc(Cl)c1Cl 117951227 CWMKFEXBMOGJEY-NSHDSACASA-N 305.208 4.716 30 20 DJED CC(C)(C)[C@@H](NCc1ccc(C#N)s1)c1ccc(F)cc1F 150869575 ZEWIEVAKPJMJLX-INIZCTEOSA-N 320.408 4.775 30 20 DJED CCc1ccc(Nc2ccc(C#N)c(Br)c2)cc1 228176231 OFTBWMXXUYMUST-UHFFFAOYSA-N 301.187 4.627 30 20 DJED Cc1cccc([C@@H](C)SCCCC2(C#N)CCOCC2)c1 281855144 MNIJBQRUXAVYMI-MRXNPFEDSA-N 303.471 4.890 30 20 DJED C[C@H](NCc1cc(Cl)sc1Cl)c1cccc(C#N)c1 312767982 HXENGRMAQLTQIV-VIFPVBQESA-N 311.237 4.777 30 20 DJED N#CC1(/C(O)=N/[C@@H]2CC[C@H](c3ccc(F)cc3)C2)CCCCC1 329925372 VKQQJCCFMXRILL-DOTOQJQBSA-N 314.404 4.892 30 20 DJED C[C@H](C/C(O)=N/C1CCC2(CC1)CC2)/N=C(/O)C1CCCCC1 329933596 BPQYMTVALUMZQW-CQSZACIVSA-N 320.477 4.981 30 20 DJED Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)CCC2 426293984 ZQKRFRHNQPCZGG-VBKZILBWSA-N 308.400 4.734 30 20 DJED Cc1c(CN[C@@H]2CC[C@@H](C#N)C2)sc2ccc(Cl)cc12 442854307 KSHHAAKIGUEAKI-DGCLKSJQSA-N 304.846 4.645 30 20 DJED C=C1CCN(C(=O)c2cc(-c3ccc(F)cc3)c(C)s2)CC1 446180836 AYAKCXMGCRMXKP-UHFFFAOYSA-N 315.413 4.655 30 20 DJED C=C[C@H](CC(=O)N[C@H](C)c1cc2ccccc2o1)c1ccccc1 468274089 HFSPQCODSFAPRC-HZPDHXFCSA-N 319.404 4.970 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@H](C)c2cc3cccc(F)c3o2)c1 473899834 CJUVNPSCPHHUCG-LLVKDONJSA-N 322.339 4.819 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCCC1(C)C 475410202 LJHWVWQDRBSSJU-KGLIPLIRSA-N 316.470 4.703 30 20 DJED COc1cc(NCc2cccc(OCCCC#N)c2)c(C)cc1C 475668482 IWRJSAIQQRKYOM-UHFFFAOYSA-N 324.424 4.607 30 20 DJED C=CCCCC[C@H](C)N[C@H](C)c1ccc(Br)cn1 479391004 MDJJTWBQZMUPMT-QWHCGFSZSA-N 311.267 4.630 30 20 DJED Cc1c([C@H](C)NCc2cccc(C#N)c2F)oc2ccccc12 485000937 AILMHBLUPPMQPS-ZDUSSCGKSA-N 308.356 4.603 30 20 DJED C=C[C@@H](CC(=O)Nc1sc(CCC)nc1C)c1ccccc1 485607308 HNWKGAYFHPLDHU-AWEZNQCLSA-N 314.454 4.702 30 20 DJED CCc1cc(OC)ccc1CNc1cccc(OCCCC#N)c1 501448671 LPMWRWQRBYRCAA-UHFFFAOYSA-N 324.424 4.552 30 20 DJED C=CCC[C@H](NCc1coc(-c2cccs2)n1)c1ccco1 513668430 YMNYYOGMDOEEAB-AWEZNQCLSA-N 314.410 4.793 30 20 DJED C=CCCO[C@@H](C)C(=O)N(CC(C)C)[C@@H](CC)c1ccccc1 518395977 VFLHWQCWPOPEOH-HKUYNNGSSA-N 317.473 4.604 30 20 DJED C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(Cl)c1 525632349 YDPYZITVSSVJKD-JTQLQIEISA-N 319.191 4.607 30 20 DJED CCC[C@@H](NCc1ccc(F)cc1C#N)c1ccc(F)cc1F 538226703 WNICLEAXTDWJPY-GOSISDBHSA-N 318.342 4.607 30 20 DJED CC(C)(CCC#N)CNCCn1c2ccccc2c2ccccc21 543243191 IOFBNPKBKSCDQD-UHFFFAOYSA-N 319.452 4.714 30 20 DJED CN(Cc1ccc(F)c(-c2cccs2)c1)CC(C)(C)C#N 552316880 QIKJFEABKVWJBN-UHFFFAOYSA-N 302.418 4.536 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1CCC(c2ccccc2F)CC1 581229950 DEHYLQHMEGZBPU-HNNXBMFYSA-N 308.400 4.638 30 20 DJED N#CCCCCCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 588273895 GAQZHVMNIMSVDQ-FQEVSTJZSA-N 320.436 4.561 30 20 DJED CCOc1ccccc1CSCc1ccc(F)cc1C#N 609134850 MWQNXYLCGXPAPR-UHFFFAOYSA-N 301.386 4.529 30 20 DJED CCOc1ccc([C@H](C)Nc2cccc(C#N)c2)cc1OCC 612876416 UJEXGTNQVPREFI-AWEZNQCLSA-N 310.397 4.529 30 20 DJED C=CCCC(C)(C)NC(=O)Nc1cnn([C@@H](C)CC)c1C1CC1 666471724 AQULFBZRCJNQCZ-ZDUSSCGKSA-N 318.465 4.598 30 20 DJED Cc1cc(/C=C/C(=O)c2ccc(OC(F)F)cc2)ccc1F 729149011 GNBFNMNNLXDOPU-YCRREMRBSA-N 306.283 4.632 30 20 DJED CC1(c2ccccc2)CC(=NNc2ncccc2C(F)(F)F)C1 729637010 FXEZSRPEMYEHNO-UHFFFAOYSA-N 319.330 4.620 30 20 DJED C=C(C)CNc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 731664418 GIJNDORARZXRJS-FQEVSTJZSA-N 320.436 4.652 30 20 DJED CCCCCCCCC(=O)N[C@@H](c1nc(C)cs1)C1CC1 741967576 ZNHTXRDBSNEEQX-MRXNPFEDSA-N 308.491 4.769 30 20 DJED C=C[C@H](CC(=O)N(CCc1ccccc1)C1CC1)c1ccccc1 758818476 CCFHEZIKTRSXFG-LJQANCHMSA-N 319.448 4.580 30 20 DJED O=C(/C=C/c1nc2ccc(F)cc2s1)c1ccc(F)cc1F 761479366 UNQAWOCDPWCPBK-AATRIKPKSA-N 319.307 4.610 30 20 DJED CC(C)c1ncc(/C=C2/C(=O)c3cccc4c3[C@H]2CCC4)s1 763288254 GVXFBECJYNHXBY-FSEGOYHTSA-N 309.434 4.966 30 20 DJED COc1ccc(Cl)cc1C(=O)/C=C\c1scnc1C1CC1 782323992 VMYWBSUYKKUHOU-ALCCZGGFSA-N 319.813 4.579 30 20 DJED CC(=NNc1cccc(F)n1)c1cc(F)c(Cl)cc1Cl 795005812 FKTMCWNNXRBDMP-UHFFFAOYSA-N 316.138 4.503 30 20 DJED C#C[C@H](NCc1cc2ccccc2o1)c1ccc(Cl)cc1F 809700100 XMFJKOLAWNESDF-KRWDZBQOSA-N 313.759 4.689 30 20 DJED O=C(/C=C\c1ccc(O)c(Cl)c1)c1nc2ccccc2s1 921265559 LEOPRBDUBMVEGC-VURMDHGXSA-N 315.781 4.551 30 20 DJED CC(C)[C@H](CC1CCCCC1)C(=O)N1CCc2ccc(C#N)cc21 1127697826 RUTVATBQMOZCAE-IBGZPJMESA-N 324.468 4.690 30 20 DJED CC[C@H](NC(=O)CC1(C#N)CCCCC1)c1cc(C)ccc1C 1132471498 SQFCDVJGNMFHRA-SFHVURJKSA-N 312.457 4.735 30 20 DJED C[C@@H]1CC(C)(C)CC[C@H]1Nc1nc(C(F)(F)F)ccc1C#N 1185620591 LZJZXNCXZOAUSK-ZYHUDNBSSA-N 311.351 4.599 30 20 DJED COc1ccc2cc([C@H](C)Sc3cccnc3C#N)ccc2c1 1189338874 UAYRRSLHXNCJPT-ZDUSSCGKSA-N 320.417 4.968 30 20 DJED CC(C)CCN(CCC#N)CCc1cccc(Cl)c1Cl 1191366664 HWVZTBGDCRIMIK-UHFFFAOYSA-N 313.272 4.798 30 20 DJED CCC[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1OC(F)F 1193648874 JMAFPMCDGDKDRI-GOEBONIOSA-N 322.399 4.608 30 20 DJED N#C[C@@H]1CCC[C@H](Nc2cc(Cl)cc(Br)c2)C1 1206151992 VMQPIQQLZWHNCE-SKDRFNHKSA-N 313.626 4.597 30 20 DJED CCC(CC)[C@@H](NC(=O)c1ccc(F)c(C#N)c1)c1ccccc1 1264510128 HBJSIVSGKYDNLH-LJQANCHMSA-N 324.399 4.605 30 20 DJED C[C@H](OC(=O)c1cccc(-c2ccoc2)c1)c1cccc(C#N)c1 1266016621 OJUPYLBDJQJHLT-AWEZNQCLSA-N 317.344 4.736 30 20 DJED CCCC[C@@H](CC)CCCN(C)C(=O)c1cccc(C#N)c1 1279985674 YLDCFKJFNQMMKE-MRXNPFEDSA-N 300.446 4.627 30 20 DJED Cc1ccc(C)c([C@@H]2CCCN2Cc2ccc(C#N)cc2C)c1 1307584261 QSYMFXKSWCEDLN-NRFANRHFSA-N 304.437 4.821 30 20 DJED N#C[C@H](C(=O)c1ccsc1C(F)F)c1nc(C2CC2)cs1 1343755078 KQANBFUCIUXCMG-SECBINFHSA-N 324.377 4.510 30 20 DJED CC[C@@H](Nc1nc(C)c(C#N)cc1Cl)c1ccc(C)c(F)c1 1458285856 KMLMUUYPVQNDCM-MRXNPFEDSA-N 317.795 4.926 30 20 DJED CC(C)(C)c1cc(Oc2cc(C#N)cnn2)cc(C(C)(C)C)c1 1472638115 BDQOEWZBWSNZEE-UHFFFAOYSA-N 309.413 4.736 30 20 DJED C=C(Cl)CN[C@@H](COc1c(C)cccc1C)c1ccccc1 1473310657 QURJJKFVEJRXIV-SFHVURJKSA-N 315.844 4.766 30 20 DJED CCC[C@H](C(=O)O[C@H](C)c1cccc(C#N)c1)c1ccccc1 1534850192 SUZQFQGCOIGBMF-BEFAXECRSA-N 307.393 4.746 30 20 DJED N#C[C@@H](c1ccccc1)N1CCC2(CCc3ccccc3C2)CC1 1619652078 MZVXPCSPXWPHBX-NRFANRHFSA-N 316.448 4.522 30 20 DJED Cc1ccc(C#N)c(NCC2(Sc3ccccc3)CCCC2)n1 1642223603 BIRSTOYBFKORQJ-UHFFFAOYSA-N 323.465 4.779 30 20 DJED Cc1ccc2ncc(C#N)c(OC/C=C\c3ccccc3)c2c1 1652005077 IUJLMYDGDFYAEA-YVMONPNESA-N 300.361 4.507 30 20 DJED COc1cc(CN[C@H]2CCC[C@@H](C(C)(C)C)CC2)ccc1C#N 1656099014 REPDJUHLYONHOW-MSOLQXFVSA-N 314.473 4.651 30 20 DJED CC[C@H](Cc1ccc(C)cc1)N(CC)Cc1ccc(F)cc1C#N 1657402784 NIPJCKYBKYWOQO-OAQYLSRUSA-N 324.443 4.849 30 20 DJED COc1ccc(C#N)cc1NCc1cc(-c2ccccc2)cs1 1658085809 CNOHIAPIGJNLKP-UHFFFAOYSA-N 320.417 4.907 30 20 DJED CC[C@H](NCc1ccc(C#N)c(C)c1)C(C)(C)c1ccccc1 1661540590 XUMILMNRJQJOTF-FQEVSTJZSA-N 306.453 4.713 30 20 DJED CC(C)CN(CCC#N)C[C@@H](C)c1ccc(C(F)(F)F)cc1 1664074753 GWRIUUVSWXIALL-CQSZACIVSA-N 312.379 4.681 30 20 DJED N#Cc1cc(N[C@@H]2C[C@@H]3CCC[C@@H]32)ccc1Oc1ccccc1 1664415074 UBPPMWHQZZFSMJ-ZOCIIQOWSA-N 304.393 4.951 30 20 DJED CCCCCCCCCC[C@@H](C)Nc1cc(C(=O)O)ncn1 1776785276 NNEYQQWQHDEZAW-CQSZACIVSA-N 307.438 4.506 30 20 DJED N#Cc1ccc(C(=O)CSc2ccc3ccccc3c2)cc1 19012128 DBSWFOKCVURILI-UHFFFAOYSA-N 303.386 4.686 30 20 DJED CCCCCCCC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 59926103 DIVBFFHZVYFOLN-UHFFFAOYSA-N 318.461 4.514 30 20 DJED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CC=CC1 77739018 MFQGNEQZFBJYIL-UHFFFAOYSA-N 318.376 4.564 30 20 DJED C=CCC[C@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1 158827009 BUYSYRDJFSWHPJ-UWJYYQICSA-N 320.436 4.775 30 20 DJED N#CCCCCSCc1ccc(OCC(F)(F)F)cc1 161561879 DZBGVHPZWYDTEV-UHFFFAOYSA-N 303.349 4.555 30 20 DJED C[C@@H](NCc1cc(C#N)cs1)c1ccc(-c2ccncc2)cc1 177708555 OTSBBACQDSPEFC-CQSZACIVSA-N 319.433 4.533 30 20 DJED O=C(/C=C/C=C\c1ccccc1)c1sccc1Br 220323540 VSHUUHIJXCGWFW-MVTUOISNSA-N 319.223 4.963 30 20 DJED N#Cc1cccc(CSc2cccc(Br)c2)c1F 222344751 PQAJPWXSSSJWJM-UHFFFAOYSA-N 322.202 4.752 30 20 DJED N#C[C@@]1(C(=O)Nc2cc(C(F)F)ccc2Cl)CC12CCCC2 296599903 SRBANOWZLZTUTO-MRXNPFEDSA-N 324.758 4.690 30 20 DJED C=CCC[C@@H](Nc1nnc(-c2ccccn2)s1)c1ccccc1 302231110 RYFAYIBYWHGUKZ-OAHLLOKOSA-N 322.437 4.720 30 20 DJED CC(C)(C)C1CCC(CNc2cccc(OCC#N)c2)CC1 317340162 GEBNELXDTVBISK-UHFFFAOYSA-N 300.446 4.853 30 20 DJED CC1(C)CCCC[C@@H]1C/C(O)=N/Cc1noc2c1CCCC2 329488231 YBAZXXMGABRODD-CYBMUJFWSA-N 304.434 4.616 30 20 DJED C=CCN(CCC#N)Cc1c(OC(C)C)ccc2ccccc12 428852686 UXCDPKWGCXFOOG-UHFFFAOYSA-N 308.425 4.529 30 20 DJED N#CCc1ccc(CSCc2ncccc2C(F)(F)F)cc1 432235458 ITAMCHPEOIVZSN-UHFFFAOYSA-N 322.355 4.600 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1Cl)c1cc2ccccc2o1 439456378 YITPKFXZHMFBOK-GFCCVEGCSA-N 310.784 4.809 30 20 DJED C[C@@H](CNC1CCC(C)(C#N)CC1)c1ccc(C(F)(F)F)cc1 449272383 VXJWSNWBSCEMCO-IGEOTXOUSA-N 324.390 4.871 30 20 DJED C=C[C@@H](CC(=O)Nc1nccc2sccc12)c1ccccc1 461101155 CWNZSLCCCAMVHW-ZDUSSCGKSA-N 308.406 4.595 30 20 DJED CCC1CCC(N(C)C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 474775856 NUWCXNHKXTXWJE-UHFFFAOYSA-N 312.457 4.529 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1cc2ccccc2nc1C 482765635 WNKYMLDSVJTMKQ-UHFFFAOYSA-N 322.452 4.752 30 20 DJED C=CCC(C)(C)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 498986160 RLXYMOKNDBTEDV-UHFFFAOYSA-N 311.372 4.683 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)NCCCC(C)C 501064777 RVNCULRVJQKOKL-UHFFFAOYSA-N 314.882 4.535 30 20 DJED N#Cc1cccc(CN(Cc2ccc3ccccc3c2)C2CC2)c1 517852868 GEOGBRIQWSMHBG-UHFFFAOYSA-N 312.416 4.876 30 20 DJED C=C(C)[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(F)c(F)c1 521694914 ASBKZONFAMWYQY-UXHICEINSA-N 324.374 4.731 30 20 DJED C=C1CCN(CC(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 524677403 NXSZWPKDUXOGJB-UHFFFAOYSA-N 314.473 4.524 30 20 DJED C=C[C@@H](CC(=O)N[C@@H](CC)c1ccc(OC)cc1)c1ccccc1 534604551 DJRTVCFJHKDNJQ-JXFKEZNVSA-N 323.436 4.622 30 20 DJED C=CCC(CC=C)C(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 537700953 IPPPWQNHLDBTDR-UHFFFAOYSA-N 309.453 4.688 30 20 DJED Cc1cc(C)cc([C@@H](C)NCc2ccccc2C(C)(C)C#N)c1 552969105 HOMXOUXPMPUAFO-QGZVFWFLSA-N 306.453 4.955 30 20 DJED C=C(CNCc1cccc(-c2cccnc2)c1)c1ccccc1 676199432 FBMTWLUYPVBSIJ-UHFFFAOYSA-N 300.405 4.552 30 20 DJED C[C@@H](OC(=O)/C=C\c1ccc(Cl)cc1)c1cccc(C#N)c1 727640836 VJBLNLOHBIMCLK-PGJNLMOESA-N 311.768 4.529 30 20 DJED CC1(C)Cc2cc(/C=C\C(=O)c3ccc(F)cc3F)ccc2O1 729151237 UOGWKRRZOVKMJB-CLTKARDFSA-N 314.331 4.574 30 20 DJED CC(=NOCc1cccnc1)c1ccc(-c2cccs2)cc1 746587458 CLAPYIANGUGGJJ-UHFFFAOYSA-N 308.406 4.751 30 20 DJED CC(C)c1nc(C(=O)/C=C/c2cccc(C(F)(F)F)c2)co1 752879430 GXPKLXGLFFRYFT-VOTSOKGWSA-N 309.287 4.713 30 20 DJED Cc1csc([C@H](C)C/N=C/c2c(O)ccc3ccccc23)n1 753996441 UMGQZVBUFJSHFI-AINDZBIGSA-N 310.422 4.533 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc(F)c(Cl)c2)c(F)c1 755571408 ASPXBYVWAYUPAE-CLTKARDFSA-N 308.711 4.523 30 20 DJED C=C[C@@H](CC(=O)N[C@H](CC)c1ccccc1OC)c1ccccc1 758401909 LORLHIIYPYKUJE-QFBILLFUSA-N 323.436 4.622 30 20 DJED COc1c(Cl)cc(Cl)cc1/C=C\C(=O)c1cncc(C)c1 767367122 LLRMEWIVEIKOTI-ARJAWSKDSA-N 322.191 4.602 30 20 DJED CCc1oc2ccccc2c1C=NOCc1ccc(Cl)cn1 767535211 QJGHUTKSLABSCT-UHFFFAOYSA-N 314.772 4.594 30 20 DJED C=CCC[C@@H](Nc1ccc(OCC2CCOCC2)cc1)C1CC1 777036489 IHXBWOBCVVEPDI-HXUWFJFHSA-N 315.457 4.649 30 20 DJED CC[C@@H](CC#N)OC(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 787079522 UNVTYQITGPPDRJ-HNNXBMFYSA-N 322.408 4.578 30 20 DJED CC1(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)CCCCC1 797567643 KOPCRCGPZSZGMD-GFCCVEGCSA-N 304.459 4.587 30 20 DJED C#C[C@H](NCc1ncc(C(C)(C)C)s1)c1ccc(Cl)cc1 811517562 VTWIYVZIKYMHLY-AWEZNQCLSA-N 318.873 4.558 30 20 DJED FC1(F)CC(CNc2ccc(C(F)(F)C(F)(F)F)cc2)C1 834547627 DDRFFZVTQIGPOK-UHFFFAOYSA-N 315.232 4.798 30 20 DJED C#CCN(C(=O)Nc1ccc(S[C@@H](C)CC)cc1C)C1CC1 836349745 SHGWEZHMVZNLRI-AWEZNQCLSA-N 316.470 4.515 30 20 DJED C=CCn1c(SCSC(C)(C)C)nnc1-c1ccoc1C 871635612 HUKXSBJHWBBWAJ-UHFFFAOYSA-N 323.487 4.614 30 20 DJED CC(=NNc1nc(Cl)c(Cl)cc1Cl)c1ccc(C)o1 916319550 ZARAVTIZMQYHRL-UHFFFAOYSA-N 318.591 4.779 30 20 DJED CC(C)c1ccc([C@H](C)NN=Cc2c(F)cccc2F)cc1 917551150 HFUIOBVENVJTES-ZDUSSCGKSA-N 302.368 4.773 30 20 DJED CCCCCCCCC(=O)Nc1ccc(-c2csnn2)cc1 919987793 XFYCDVFSUIOQBQ-UHFFFAOYSA-N 317.458 4.894 30 20 DJED C[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 1126052855 CGVAOAZLUAFJHS-HOCLYGCPSA-N 320.392 4.725 30 20 DJED CC[C@H](OC(=O)c1cc(C#N)ccc1C)C(C)(C)c1ccccc1 1126284373 WIILUUPHGIONFF-IBGZPJMESA-N 321.420 4.780 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1NC1CCC(F)(F)CC1 1186010125 QNABZESLTJLJMD-UHFFFAOYSA-N 321.758 4.750 30 20 DJED N#CC1(c2nnc(Cc3cccc4ccccc34)o2)CCCCC1 1348875566 WMOUULXZUJERNX-UHFFFAOYSA-N 317.392 4.539 30 20 DJED CC(C)(C)C[C@@H](NCCc1ccc(C#N)cc1)c1ccccc1 1459833310 XJOLQUUXGHNFQH-HXUWFJFHSA-N 306.453 4.868 30 20 DJED N#CC[C@@H](CC(=O)Nc1c(F)cccc1Cl)c1ccccc1 1521733145 ZKCHQKZUYZRPMQ-ZDUSSCGKSA-N 316.763 4.505 30 20 DJED CCc1cc(C#N)c(NC(=O)C[C@H]2CCCCC2(C)C)s1 1527844161 WSANJRWGHQYWKA-CYBMUJFWSA-N 304.459 4.727 30 20 DJED Cc1nsc(N[C@H]2CCCc3ccc(C(C)C)cc32)c1C#N 1559157782 WIBACNAZPXCPJG-KRWDZBQOSA-N 311.454 4.936 30 20 DJED COc1ccc(CSCc2ccc(C#N)cc2)cc1Cl 1559409148 DBVIHURABNYOIF-UHFFFAOYSA-N 303.814 4.654 30 20 DJED Cc1ccc(CN(Cc2ccc(C#N)cc2F)CC(C)C)c(C)c1 1560899301 OUENWTWRJSXDMQ-UHFFFAOYSA-N 324.443 4.972 30 20 DJED C[C@H](CCc1c[nH]c2ccccc12)Nc1cc(F)cc(C#N)c1 1621479775 LQTJSHHYONLUMO-CYBMUJFWSA-N 307.372 4.612 30 20 DJED N#Cc1c(Cl)nsc1N[C@H]1CCC[C@@H](c2ccccc2)C1 1639883235 TYHMNHYLBQZGMG-OLZOCXBDSA-N 317.845 4.806 30 20 DJED C=C(Br)CN[C@H](c1ccccc1F)C1CCCC1 1653886466 MKKSYINPNCAQCP-HNNXBMFYSA-N 312.226 4.555 30 20 DJED Cc1ccc(C#N)c(N[C@@H](C)Cc2c(Cl)cccc2Cl)n1 1655332621 ATAQQCMXRVRKGP-NSHDSACASA-N 320.223 4.612 30 20 DJED CC(C)(C)OC(=O)Nc1ccc(CNc2cccc(C#N)c2)cc1 1655988139 RHWJVZUTHMPMKG-UHFFFAOYSA-N 323.396 4.517 30 20 DJED CC(C)c1ccc(C(=O)/C=C\c2cc(C(=O)O)ccc2F)cc1 1776370454 HMPFTQZSZYEEFJ-NTMALXAHSA-N 312.340 4.543 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1cccc(SC)c1 43156804 DTWIJXIZIZQEKX-UHFFFAOYSA-N 312.438 4.629 30 20 DJED C=CCNc1nnc(S[C@H](C)c2cccc(Cl)c2)s1 48833485 MTQKLRARYWQRMF-SECBINFHSA-N 311.863 4.643 30 20 DJED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(C)ccc1C 56527486 DAGGZTBMYJIEHP-UHFFFAOYSA-N 324.424 4.532 30 20 DJED CC(C)c1ncc(CN(Cc2ccc(C#N)cc2)C(C)C)s1 154367307 ZDTUWVAPTPLLID-UHFFFAOYSA-N 313.470 4.549 30 20 DJED Cc1cc(C#N)ccc1CSc1ccc(Br)cc1 165996591 UDRNTTPPIOUCNQ-UHFFFAOYSA-N 318.239 4.922 30 20 DJED C[C@@H](Nc1ccc(F)cc1OCC(F)F)c1ccc(C#N)cc1 179602719 NRMSOORHMQJLOE-LLVKDONJSA-N 320.314 4.514 30 20 DJED CC(C)[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(F)cc1F 181893720 LHDIEKJWJBBFDE-DJJJIMSYSA-N 314.379 4.884 30 20 DJED Cc1ccc(C)c(Oc2ccc(C#N)c(Br)c2)c1 228200265 SLNVGEBIUVLYIW-UHFFFAOYSA-N 302.171 4.730 30 20 DJED Cc1ccc(Sc2ccc(C#N)c(Br)c2)cc1 228252910 ZAJUHVPTUGTCMH-UHFFFAOYSA-N 304.212 4.780 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@H]2CCSc3ccc(Cl)cc32)C1 248740913 FBRGAZSEWFZLPB-ZLDLUXBVSA-N 306.862 4.549 30 20 DJED CC(C)n1cc(/C=C\C(=O)c2cc(Cl)ccc2Cl)cn1 255318781 LCQDWSVTQSGPMS-UTCJRWHESA-N 309.196 4.667 30 20 DJED Cc1oc(C#N)cc1C(=O)Nc1c(C(C)C)cccc1C(C)C 280870403 ZYOUNUNDCMNNNV-UHFFFAOYSA-N 310.397 4.959 30 20 DJED C=CCC[C@H](NCc1ncc(CSC)s1)c1ccccc1 293248623 LWGLYMIRYCLOHF-INIZCTEOSA-N 318.511 4.803 30 20 DJED CC(C)Oc1ccc([C@@H](C)Nc2ccc(Cl)c(C#N)n2)cc1 301188956 XKARILLWWAEWDD-GFCCVEGCSA-N 315.804 4.567 30 20 DJED N#C[C@@H]1CC[C@@H](Sc2nc3c(n2-c2ccccc2)CCCC3)C1 430126372 VNSZGVGQMZGPJY-GDBMZVCRSA-N 323.465 4.535 30 20 DJED Cc1ccsc1[C@@H](Cc1ccccc1)NCC1(CC#N)CC1 430745277 WLQNJCZNLQUFFQ-QGZVFWFLSA-N 310.466 4.624 30 20 DJED C=CCCCC(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 436467429 CFFHLNLINZHWIM-CYBMUJFWSA-N 323.717 4.555 30 20 DJED CCN(Cc1c[nH]c2ccccc12)[C@@H](C)c1cccc(C#N)c1 442889487 DXUTWVBDQAXHIK-HNNXBMFYSA-N 303.409 4.623 30 20 DJED CCCCN(C(=O)Nc1cccc(CC#N)c1)C1CCCCC1 455913912 ZTOYRDKIMCBKTK-UHFFFAOYSA-N 313.445 4.719 30 20 DJED Cc1cc(C)c(C#N)c(SCc2ccc(C(F)F)cc2)n1 461412155 YTYSDVYMPSSUBT-UHFFFAOYSA-N 304.365 4.800 30 20 DJED CC[C@H]1CCCC[C@H]1C(=O)Nc1cccc(OCCCC#N)c1 474962344 CBMAWGQGGOMDRR-MAUKXSAKSA-N 314.429 4.524 30 20 DJED C=CCC[C@@H](C(=O)Nc1ccc(F)c(F)c1F)c1ccccc1 487634450 APJSETCBCSTJMX-CYBMUJFWSA-N 319.326 4.792 30 20 DJED CC[C@H](C)Sc1ccc(NC(=O)N(C)C[C@H](C)C#N)c(C)c1 509970760 NCGXAJJNRXBRFE-OCCSQVGLSA-N 319.474 4.509 30 20 DJED C=CCC[C@H](CC)Nc1ccc(NC(=O)CC(F)(F)F)cc1 510992877 DFQJOJUUDUXTLG-LBPRGKRZSA-N 314.351 4.734 30 20 DJED CCc1cc(NCc2cccc(OCCCC#N)c2)ccc1F 512568605 JEXQKSQVXXMZFL-UHFFFAOYSA-N 312.388 4.683 30 20 DJED CC(=O)c1ccc(Cl)c(Cl)c1OCc1ccc(C#N)cc1 524088575 JSHGKUQUNQZHJC-UHFFFAOYSA-N 320.175 4.647 30 20 DJED C=CCCC(=O)CSc1ccc(Cl)c(C(F)(F)F)c1 534242284 PDPLQSQFIVQFDV-UHFFFAOYSA-N 308.752 4.986 30 20 DJED Cc1ccccc1[C@H](CC(C)C)NCc1ccc(CC#N)cc1 541325463 MBJWBLZNDJLHHG-NRFANRHFSA-N 306.453 4.938 30 20 DJED Cc1nc(C(C)C)ccc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 549685633 LEKVFOFFRWRTMB-UHFFFAOYSA-N 321.424 4.567 30 20 DJED C[C@@H](C(=O)N[C@](C)(C#N)C1CCCCC1)c1cc2ccccc2o1 550349152 DGZWARQRUNGCBO-JLTOFOAXSA-N 324.424 4.515 30 20 DJED C=CCOc1ccc(CN[C@@H]2CCCOc3cc(C)ccc32)cc1 560569727 IOZPNFLYBKEMAF-HXUWFJFHSA-N 323.436 4.563 30 20 DJED CCc1ccc(NC(=O)CS[C@@H](C)c2ccc(C#N)cc2)cc1 561842394 RLLCVCVSCAVHQB-AWEZNQCLSA-N 324.449 4.554 30 20 DJED C=CCC(C)(C)c1noc(Cn2ccc3ccc(Cl)cc32)n1 562840905 IQOMHPPCEZOIAQ-UHFFFAOYSA-N 315.804 4.580 30 20 DJED C=CCCN(C)C(=O)c1sc2cccc(Cl)c2c1Cl 682427559 YLPKOIJKVMQKDA-UHFFFAOYSA-N 314.237 4.856 30 20 DJED Cc1cc(Br)c(F)cc1N[C@@H](C)CC(C)(C)C#N 695810670 GHGUYABPEOGYLF-JTQLQIEISA-N 313.214 4.637 30 20 DJED Fc1cccc(C=NNc2nc(-c3ccccc3)cs2)c1F 730728307 PWSMZAHJMKXOQB-UHFFFAOYSA-N 315.348 4.534 30 20 DJED C=CC[C@H](C)NC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 735065302 BLJYVAIKPUQICA-HKJJFUAXSA-N 315.413 4.509 30 20 DJED O=C(/C=C/C1=Cc2ccccc2OC1)c1coc2ccccc12 747706431 WKGSNQACZYVNDE-MDZDMXLPSA-N 302.329 4.648 30 20 DJED Cn1cc(C(=O)/C=C\c2cnc(C3CCC3)s2)c2ccccc21 760266588 WQQOWHRQOMKIOD-KTKRTIGZSA-N 322.433 4.798 30 20 DJED C=CCCCCNCc1c(-c2ccccc2)nc2sccn12 769959315 YHUWPAZMRWEQMS-UHFFFAOYSA-N 311.454 4.509 30 20 DJED C=C(C)[C@H](N[C@@H](C)c1cccnc1Cl)c1ccc(F)c(F)c1 775557204 GSMSBQSTGGQLKS-ZBEGNZNMSA-N 322.786 4.981 30 20 DJED CC[C@H](CC#N)OC(=O)c1sc2cc(F)ccc2c1Cl 787099228 OTSKHPXYQDQOOY-SECBINFHSA-N 311.765 4.543 30 20 DJED FCC[C@H]1CCCC1=NNc1nc(Cl)c(Cl)cc1Cl 794874112 YODAPBZEHDVSOX-SSDOTTSWSA-N 324.614 4.969 30 20 DJED CC[C@@H]1CCCC[C@H]1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 796747499 PMXVUGIBLLSRJS-MGPQQGTHSA-N 304.459 4.659 30 20 DJED N#Cc1ccc(-c2nc(C3CCCCCC3)no2)cc1Cl 904686034 QOWABWWEXDPLBZ-UHFFFAOYSA-N 301.777 4.699 30 20 DJED COc1c(Cl)cc(Cl)cc1C=NNc1ccccc1F 921257768 SCJPEMNKNAEBKN-UHFFFAOYSA-N 313.159 4.587 30 20 DJED N#Cc1ccccc1SCc1cnc(-c2ccccc2)s1 1116145932 QLMNPGNVDWVOFA-UHFFFAOYSA-N 308.431 4.974 30 20 DJED CCC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 1214367950 MWWJLYKXOPLMCB-WBMJQRKESA-N 319.836 4.692 30 20 DJED CCC(C#N)(CC)C(=O)N[C@@H](CC(C)C)c1ccccc1C 1435139874 QZBBIKFYBFBCBG-KRWDZBQOSA-N 300.446 4.528 30 20 DJED CC[C@@H](CSc1ccccc1)Nc1ncc(C#N)cc1Cl 1458268169 OIKICDORYHLKOB-ZDUSSCGKSA-N 317.845 4.589 30 20 DJED CCSc1cccc(NC(=O)[C@@H](C#N)CCc2ccccc2)c1 1465211818 VRZDUAJKCIDZOP-MRXNPFEDSA-N 324.449 4.510 30 20 DJED CC(C)(C)Oc1ccc(NC(=O)CC2CCCCC2)cc1C#N 1526614134 XPYNXZPDWJZLKL-UHFFFAOYSA-N 314.429 4.644 30 20 DJED CCc1c(C)sc(NC(=O)c2ccc(Cl)c(C)c2)c1C#N 1527988307 OKPQBLVYFFAXSM-UHFFFAOYSA-N 318.829 4.705 30 20 DJED Cc1ccc(C#N)cc1C(=O)N(C(C)C)[C@H](C)c1ccsc1 1529325679 RBPSUEAYIBSNJB-CQSZACIVSA-N 312.438 4.540 30 20 DJED N#Cc1ccc(NC(=O)c2ccc(C(F)F)cc2F)cc1Cl 1530354650 FMKFFXICBRUZBD-UHFFFAOYSA-N 324.689 4.541 30 20 DJED Cc1ccc2c(C(=O)O[C@@H](C)c3cccc(C#N)c3)csc2c1 1534849950 KXLDZYNOZUASQK-ZDUSSCGKSA-N 321.401 4.999 30 20 DJED Cc1nc(Nc2ccc(COc3ccccc3)cc2)ccc1C#N 1559153562 BCYWWLDDDYCQFI-UHFFFAOYSA-N 315.376 4.584 30 20 DJED N#Cc1ccc(CCN2CCC[C@@H](c3ccc(F)cc3)CC2)cc1 1559676815 RJMWLKLXHWVPNO-LJQANCHMSA-N 322.427 4.510 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCC[C@H](c2ccccc2)C1 1559853429 AZQCQRVCJWGRKM-INIZCTEOSA-N 310.828 4.591 30 20 DJED CN(CCc1ccc(C(C)(C)C)cc1)Cc1cccc(C#N)c1 1560717282 HHZRGENZLYEMMR-UHFFFAOYSA-N 306.453 4.530 30 20 DJED C=C(CNC(=O)Nc1cccc(SCC)c1)c1ccccc1 1562384418 RJYLKHBETMOAPR-UHFFFAOYSA-N 312.438 4.634 30 20 DJED CCC1(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)CCC1 1584028782 HVGAOVARUQJSKH-RYUDHWBXSA-N 316.470 4.824 30 20 DJED CCCC[C@@H](CC)CCCN(C)C(=O)[C@]1(C#N)CC12CCCC2 1586673268 NQVAJYJCDFMKHE-YLJYHZDGSA-N 318.505 4.915 30 20 DJED Cc1cc(C)c(C(=O)CSc2ccc(C#N)c(C)c2)c(C)c1 1614547889 JOMVGIVALACPQM-UHFFFAOYSA-N 309.434 4.767 30 20 DJED Cc1cc(CN[C@H]2C[C@H](c3ccc(Cl)cc3)C2)ccc1C#N 1650998578 LMYJRTOPAGZFKG-UAPYVXQJSA-N 310.828 4.556 30 20 DJED CCN(Cc1cc(Cl)ccc1F)[C@H](C)c1ccc(C#N)cc1 1652330057 XTDJOQYFDCOZBL-CYBMUJFWSA-N 316.807 4.934 30 20 DJED N#C[C@@H](CCc1ccccc1)Sc1c(F)cc(F)cc1F 1652616133 NSRTZDMGFNRFBI-CYBMUJFWSA-N 307.340 4.721 30 20 DJED CC(C)N(Cc1cccc(Cl)c1)Cc1ccc(F)cc1C#N 1656993101 WAXNXRCLINIBQQ-UHFFFAOYSA-N 316.807 4.761 30 20 DJED CCc1ccc2ccccc2c1CNCc1cccc(F)c1C#N 1658875099 IDKYHGSCMHVYLA-UHFFFAOYSA-N 318.395 4.703 30 20 DJED C[C@@H](Nc1ccnc2cc(Cl)ccc12)c1ccc(C#N)cc1 29587397 SSFUXRVPGBXSNX-GFCCVEGCSA-N 307.784 4.933 30 20 DJED Cc1ccoc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 68824374 OQQIEUYJOCDWAJ-UHFFFAOYSA-N 318.332 4.504 30 20 DJED CC[C@H](C#N)Oc1cccc(CN[C@H]2CCCc3ccccc32)c1 113952425 ZSVYWUQKCMXYKX-NQIIRXRSSA-N 320.436 4.535 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc(OC(F)F)c1 121443986 UOCZJQZYHIEOJL-OLZOCXBDSA-N 316.351 4.571 30 20 DJED CCc1ccc([C@@H](C)C(=O)N[C@H](CCC#N)c2ccccc2)cc1 153254275 BWSJXPYXKNIJOT-OXQOHEQNSA-N 320.436 4.514 30 20 DJED C[C@@H]1CC(C)(C)N(C(=O)c2cc(C#N)cs2)c2ccccc21 180328048 HJMQFKWFCVDNCR-GFCCVEGCSA-N 310.422 4.552 30 20 DJED N#Cc1ccc(C(F)(F)F)c(NCc2cc3ccccc3[nH]2)c1 301744286 ZSZLXFGNXTVOLW-UHFFFAOYSA-N 315.298 4.670 30 20 DJED C#Cc1cccc(N(Cc2ccco2)C(=O)CCC2CCCC2)c1 303146578 FIKMAWBFLWTIMF-UHFFFAOYSA-N 321.420 4.765 30 20 DJED COc1cc(C)c(C(=O)/C=C/C(C)=C/c2ccccc2)cc1OC 303298571 CJHXOSGQNWJCEO-GCHFJXRNSA-N 322.404 4.855 30 20 DJED CC(C)c1ccc([C@H](C)CC(=O)NC2(C#N)CCCCC2)cc1 303783146 SVOPQLFXZQTYOZ-MRXNPFEDSA-N 312.457 4.646 30 20 DJED C[C@H]1CC(C(O)=Nc2nc(C3CCOCC3)cs2)C[C@H](C)C1 329180061 DGJNVDHSKUFRPZ-VXGBXAGGSA-N 322.474 4.697 30 20 DJED Cc1ccc(-c2nc(CC/N=C(/O)[C@@H]3CC34CCCC4)co2)cc1 329951694 IIWAXPMUUGVUFG-KRWDZBQOSA-N 324.424 4.729 30 20 DJED C=CCC1(C(=O)Nc2ccc(Oc3cccnc3)cc2)CCC1 346163701 FXTSLNUDWXWNFL-UHFFFAOYSA-N 308.381 4.559 30 20 DJED N#CCC[C@H](NC/C=C/c1ccc(F)cc1F)c1ccccc1 350092067 FKJHDERIYTVMDG-MEQKGCOVSA-N 312.363 4.613 30 20 DJED Cc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c(F)c1 410931430 UMZVWXLLNMRLII-UHFFFAOYSA-N 316.401 4.617 30 20 DJED Cc1sc(NC(=O)[C@@H](C)c2ccc(Cl)s2)c(C#N)c1C 427493845 ATVGTVXPNMRIBX-QMMMGPOBSA-N 324.858 4.694 30 20 DJED CC(C)(CN[C@@H]1CC[C@H](C#N)C1)c1c(Cl)cccc1Cl 442874788 NVMBTINLGAVIEM-NWDGAFQWSA-N 311.256 4.553 30 20 DJED CC[C@H](N[C@H](C)CCc1ccc(OC)cc1)c1ccc(C#N)cc1 447541328 LYSBUEVWWLAFFC-IERDGZPVSA-N 322.452 4.629 30 20 DJED CO[C@@H](CNc1cc(Cl)ccc1C#N)c1cccc(Cl)c1 462953504 XXGRVEBHDANMDP-INIZCTEOSA-N 321.207 4.665 30 20 DJED CC(C)[C@@H](NCc1ccc(F)cc1C#N)c1ccc(Cl)cc1 489601485 CBHZLHUBKGOWHE-GOSISDBHSA-N 316.807 4.838 30 20 DJED C=CCN(CC=C)C(=O)[C@@H](C)S[C@H](C)c1ccc(Cl)cc1 498109606 CCSGBLNRXKWWQO-ZIAGYGMSSA-N 323.889 4.723 30 20 DJED C=C(C)CN(CC)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 506048920 GFXRSQJFCAADHJ-GOSISDBHSA-N 318.436 4.665 30 20 DJED C=CCN(Cc1ccc(Cl)s1)Cc1ccc(C#N)cc1F 506123780 CRVZVMZMSBFNEJ-UHFFFAOYSA-N 320.820 4.600 30 20 DJED C=CCCCCCN(C)C(=O)Nc1cccc2c1CCCC2 524607970 CIRGIFQOWCMVAJ-UHFFFAOYSA-N 300.446 4.776 30 20 DJED C=CCOc1ccccc1C(=O)Nc1cccc(SC)c1C 540438032 TWZUWLXBHUGDSF-UHFFFAOYSA-N 313.422 4.534 30 20 DJED C[C@@H](NC(=O)CC(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 543896816 GBBZKEHIKDDEGP-OAHLLOKOSA-N 320.436 4.839 30 20 DJED C[C@H](N[C@H](C)c1ccc2c(c1)CCCC2)c1ccc(C#N)c(F)c1 546165782 DFQUDKNJAYXEKU-CABCVRRESA-N 322.427 4.988 30 20 DJED CC#CCCCc1nc(-c2cccc(-c3csc(C)n3)c2)no1 554804096 FSOXEQQPNYUQKD-UHFFFAOYSA-N 323.421 4.515 30 20 DJED Cc1cccc([C@H](c2noc(-c3cc(C#N)oc3C)n2)C(C)C)c1 554850946 JZDXGCPRKHTNBG-QGZVFWFLSA-N 321.380 4.606 30 20 DJED N#CCC[C@H](C#N)CNCc1ccccc1-c1ccc(Cl)cc1 558506648 AOPBYQGRXZFRGG-OAHLLOKOSA-N 323.827 4.540 30 20 DJED CC[C@H](CC#N)NCc1ccc(Oc2cc(F)cc(F)c2)cc1 562252052 AVEAWTCPAPNAQJ-MRXNPFEDSA-N 316.351 4.539 30 20 DJED CC(=O)c1ccc(C#N)c(NCc2cc3ccccc3s2)c1 566035919 JSYVRMOFMCRVOV-UHFFFAOYSA-N 306.390 4.588 30 20 DJED N#CCCCCCC(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 591095768 IBGZMNITSOMBTJ-DOTOQJQBSA-N 318.848 4.566 30 20 DJED CC[C@H](C#N)c1ccc(-c2cccc(CO[C@H]3CCOC3)c2)cc1 593954922 UDZJDWDHEPJLDP-UTKZUKDTSA-N 321.420 4.676 30 20 DJED C=CCCC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C 608900627 KDGOCNCEGASNKL-HNNXBMFYSA-N 313.363 4.875 30 20 DJED CC[C@@H](CC(=O)N(CCC#N)CCC(C)C)c1ccc(C)cc1 609988108 KXELQCYBYONOTC-SFHVURJKSA-N 314.473 4.667 30 20 DJED C=CCCOCC(=O)N[C@@H](CCC(C)C)c1ccc(Cl)cc1 620198164 ZGLTWPJXWKBHIS-KRWDZBQOSA-N 323.864 4.526 30 20 DJED C#CCOc1ccc(CN[C@H](C)c2ccc(C(C)C)cc2)cc1 733323130 JNVSSFPHDNUMCA-QGZVFWFLSA-N 307.437 4.673 30 20 DJED C=C(Cl)CNC(=O)Nc1cc(Cl)ccc1SC(C)C 736972412 DFVFMHAQHKUVLK-UHFFFAOYSA-N 319.257 4.715 30 20 DJED C/C(=C\C(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)(C)C 742648796 CKZIIFCIRPEBQC-PCRWRXJSSA-N 316.470 4.869 30 20 DJED CC(=NNc1ccc(Cl)nc1)c1cccc(-c2ccncc2)c1 743450985 WDPMWLLOLTYKGG-UHFFFAOYSA-N 322.799 4.633 30 20 DJED N#C[C@H](C(=O)C1CCCCCCC1)c1ccc2ccccc2n1 744015706 AZOUCROTHBKQDC-KRWDZBQOSA-N 306.409 4.772 30 20 DJED O=C(/C=C\c1ccc(O)cc1)c1cc(Cl)ccc1OC(F)F 748440690 PWUFJZSWDAWYBY-CLTKARDFSA-N 324.710 4.543 30 20 DJED C#CC[C@@H](NC(=O)N(C)C1CCCCCCC1)c1ccccc1 757772478 QFYNAGYRYIBATI-LJQANCHMSA-N 312.457 4.505 30 20 DJED N#CCc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 758038472 ZGHHTFVVQRBMDN-UHFFFAOYSA-N 312.372 4.672 30 20 DJED CCn1nc(/C=C/C(=O)c2ccc(SC)cc2)c2ccccc21 769742931 RAFUZNJFIGMJGH-OUKQBFOZSA-N 322.433 4.674 30 20 DJED Cc1cnc(COc2ccc(Oc3ccc(C#N)cc3)cc2)s1 771661346 WHNVDMXYXRMTNJ-UHFFFAOYSA-N 322.389 4.695 30 20 DJED CC(C)c1nc(C#N)c(NN=C(CC2CCC2)c2ccccc2)o1 776181304 VJKGMNIYCTYIHO-UHFFFAOYSA-N 322.412 4.676 30 20 DJED COc1cc(NN=C(C)C2CCC(F)(F)CC2)ccc1Cl 788468566 WOXPJFGQWNYUKM-UHFFFAOYSA-N 316.779 4.962 30 20 DJED CCCCCCCCNC(=O)c1cc(O)ccc1C(F)(F)F 793726138 IQEQAOBROSQCHR-UHFFFAOYSA-N 317.351 4.501 30 20 DJED O=C1/C(=C\c2ccc(C(F)F)cc2)COc2c(F)cc(F)cc21 794936920 HDQDZMQQTXYOKN-WZUFQYTHSA-N 322.257 4.561 30 20 DJED C#CCCCCCc1nc(-c2ccc(C(C)(F)F)cc2)no1 810317737 BYZAOYMAOWGQNY-UHFFFAOYSA-N 304.340 4.584 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)C2=CCC(C)(C)CC2)n1 835200907 QGONLADKPGOEDR-ZDUSSCGKSA-N 302.443 4.579 30 20 DJED CC[C@@H](CC#N)NC(=O)Nc1ccc(SC(C)(C)C)c(F)c1 836719806 ZJTOCNGRQGNNDM-NSHDSACASA-N 323.437 4.530 30 20 DJED C[C@@H](CCC(C)(C)C)C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842941365 AGJBIFDJIOFHCA-WCQYABFASA-N 304.459 4.659 30 20 DJED N#CC1(c2cccc(-c3cc4ccccc4o3)c2)CCOCC1 844231744 FNVRTCAQKMMODT-UHFFFAOYSA-N 303.361 4.672 30 20 DJED CCCOc1cc(/C=C/C(=O)c2ccccc2F)ccc1OC 916135660 DYCXDRUPACSJSN-CSKARUKUSA-N 314.356 4.519 30 20 DJED CC(C)CN(CCC#N)C(=O)c1sc2ccccc2c1Cl 917363769 BHYHQUBEKAKJLT-UHFFFAOYSA-N 320.845 4.567 30 20 DJED CCCCCCCC(=O)O[C@@H](C)C(=O)Nc1cccc(C)c1C 919222981 MIIZQPUPMSNFTM-INIZCTEOSA-N 319.445 4.534 30 20 DJED C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)c(F)c1 1117671318 FUTABADGFSFMTR-BBATYDOGSA-N 314.791 4.689 30 20 DJED C[C@@H]1C[C@@H](C(C)(C)C)CCN1c1nc(C(C)(C)C)ccc1C#N 1163422089 JBVKZEULJOXXNL-ZBFHGGJFSA-N 313.489 4.902 30 20 DJED N#CC[C@H](C(=O)N1CCC[C@H](C2CCCCC2)C1)c1ccccc1 1167884174 LSXJRUWKOBTTDS-PMACEKPBSA-N 324.468 4.503 30 20 DJED C[C@H]1CC[C@H](C)N(C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1205529055 XYRZKNFGHSDQNS-RYUDHWBXSA-N 319.474 4.570 30 20 DJED CC[C@@H](C)N(CCc1ccccc1F)Cc1cccc(C#N)c1 1307438731 NHQIEKWDPYJZKF-MRXNPFEDSA-N 310.416 4.541 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1C/C=C\c1cccc(F)c1 1308577796 LTTYYEIBHLHNBH-IZRQAOQISA-N 320.411 4.611 30 20 DJED CCc1oc2ccccc2c1-c1nnc(-c2ccc(C#N)cc2)o1 1322504727 UGXRZDYKAZGCMY-UHFFFAOYSA-N 315.332 4.584 30 20 DJED Cc1ccccc1[C@H](C)C(=O)Nc1cc2ccccc2cc1C#N 1460861011 TZYNNTMFGOYNQW-HNNXBMFYSA-N 314.388 4.762 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 1460864533 USWZDKLUAAWTMH-UHFFFAOYSA-N 312.372 4.786 30 20 DJED C=C(Cl)CNC(=O)N[C@@H](c1ccc(C(C)(C)C)cc1)C(C)C 1469927474 DACWWAWJHZPIET-MRXNPFEDSA-N 322.880 4.733 30 20 DJED COc1cc(C#N)ccc1OCc1cc(Cl)sc1Cl 1472911931 FPQMPLQNEXOQAT-UHFFFAOYSA-N 314.193 4.514 30 20 DJED Cc1c(C#N)cccc1NC(=O)C(C)(C)CCCc1ccccc1 1544114518 NSYIGKVNJIZGAP-UHFFFAOYSA-N 320.436 4.854 30 20 DJED Cc1cccc(C2=CCN(c3ncc(C#N)cc3Cl)CC2)c1C 1559299907 UZAHFBQPRZJIEM-UHFFFAOYSA-N 323.827 4.517 30 20 DJED N#C[C@H]1CCC[C@@H](OC(=O)c2cccc(Oc3ccccc3)c2)C1 1596978653 POLMZUUGMGEZAN-MAUKXSAKSA-N 321.376 4.718 30 20 DJED CC(C)(C)Sc1ccc(Nc2ncc(C#N)cc2F)cc1 1611908472 HAXMJHNSWMIGOV-UHFFFAOYSA-N 301.390 4.727 30 20 DJED CC[C@H]1CCC[C@@H](Nc2c(Br)cccc2C#N)C1 1612007368 SGJVKCPDUBSAGZ-WCQYABFASA-N 307.235 4.701 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCCC[C@@H]1CC 1629454588 ANQCFTNBCAVSOX-JKSUJKDBSA-N 313.445 4.535 30 20 DJED CCN(Cc1ccccc1Cl)c1nc(C)c(C#N)cc1Cl 1639268420 HOYDYVKECQRUKP-UHFFFAOYSA-N 320.223 4.595 30 20 DJED CC1(C)C[C@@H](c2ccccc2)N(Cc2ccc(F)cc2C#N)C1 1653976234 RSUUWRVHLDKNFX-IBGZPJMESA-N 308.400 4.671 30 20 DJED N#Cc1ccc(CN2CC3(CCCC3)c3cccc(F)c32)c(F)c1 1659715636 QIWFHSUGPMBDSL-UHFFFAOYSA-N 324.374 4.668 30 20 DJED CC[C@H](C)c1ccc(C(=O)/C=C/c2ccc(/C=C\C(=O)O)o2)cc1 1776697311 GLXKOYQQLZQRIM-WMKKFSNZSA-N 324.376 4.787 30 20 DJED Cc1cc(Br)cc(C)c1NCc1ccccc1C#N 20071124 SZFAGBLGSUQKJG-UHFFFAOYSA-N 315.214 4.550 30 20 DJED CC(C)c1ccccc1NC(=O)N[C@H](C)c1ccc(C#N)cc1 43229817 KPKMVQURNJLXEX-CQSZACIVSA-N 307.397 4.564 30 20 DJED C[C@H](N[C@H](C)c1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 124884194 HCFCPNLUTGJHHA-OLZOCXBDSA-N 318.342 4.989 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCCc1cccs1 155985022 BCZGJMDXQKURLE-ZDUSSCGKSA-N 302.468 4.797 30 20 DJED N#CCCCCNC(=O)c1cc2sc3ccccc3c2s1 171504798 GPBLJOSTKLHTGE-UHFFFAOYSA-N 314.435 4.540 30 20 DJED CC(C)c1noc([C@@H](C)S[C@H](C)c2cccc(C#N)c2)n1 190787715 NHCRZEMFRUIZSZ-VXGBXAGGSA-N 301.415 4.620 30 20 DJED Cc1noc(C)c1/C=C/C(=O)c1cc2cc(Cl)ccc2o1 192757473 PPNGXRCQPYBULQ-SNAWJCMRSA-N 301.729 4.587 30 20 DJED C[C@@H]1CCCCN1Cc1ccc(NCc2ccc(C#N)cc2)cc1 237352030 NOIMEBLTXAENMJ-QGZVFWFLSA-N 319.452 4.545 30 20 DJED N#Cc1ccc(N[C@@H](c2ccccc2)c2cccc(Cl)c2)nc1 301112933 SFIBTEKOLURDFK-IBGZPJMESA-N 319.795 4.808 30 20 DJED C[C@H](Nc1ccc(Nc2cccc(C#N)n2)cc1)c1ccccc1 301825173 IOWWTHITTYBHGA-HNNXBMFYSA-N 314.392 4.870 30 20 DJED Cc1ccc2c(c1)[C@@H](/N=C(/O)[C@@H]1CCC[C@@H](C(=N)O)C1)CCC2 329492584 ZRUKRLGHZBIAIY-INMHGKMJSA-N 314.429 4.671 30 20 DJED Cc1oc(C(C)C)cc1/C(O)=N/C[C@@H]1CCCO[C@@H]1C(C)(C)C 330616872 WMGWRPKOSBHGLM-YOEHRIQHSA-N 321.461 4.857 30 20 DJED C[C@@H](NCc1cncs1)c1ccc(-c2cccc(C#N)c2)cc1 374696669 YMMSOAPHXHHMHZ-CQSZACIVSA-N 319.433 4.533 30 20 DJED CC(=O)Nc1ccc(SCCC2(C#N)CCCCC2)cc1 412984073 PGYCFKDXYCWFIZ-UHFFFAOYSA-N 302.443 4.601 30 20 DJED CC[C@H](N[C@@H](C)c1cc(C)ccc1OC)c1ccc(C#N)cc1 414155438 NMPJQLJIEZPKDV-KXBFYZLASA-N 308.425 4.677 30 20 DJED Cc1cccc([C@H]2CCCCCN2C(=O)c2cc(C#N)cs2)c1 437565331 CIUXUCKEFMLZKG-QGZVFWFLSA-N 324.449 4.686 30 20 DJED CC(C)[C@H](Cc1ccc(F)cc1)NCCCCC(C)(C)C#N 444680518 PNAMIEGICWDDNE-SFHVURJKSA-N 304.453 4.702 30 20 DJED CC(C)(C#N)CC(=O)NC1(c2ccc(Cl)cc2)CCCCC1 447340137 IVXZFSUPOBWGPA-UHFFFAOYSA-N 318.848 4.555 30 20 DJED CC[C@@H](Nc1cccc2ccc(C)nc12)c1ccc(C#N)cc1 447595875 AXEWDRWBSHPKMD-GOSISDBHSA-N 301.393 4.978 30 20 DJED C=C(C)CN1CCC(N[C@H](CC)c2cccc(Cl)c2F)CC1 461102682 POLNYOWJXRXOOK-QGZVFWFLSA-N 324.871 4.560 30 20 DJED Cc1cc(C)c(C#N)c(N[C@@H](C)c2ccccc2C(F)(F)F)n1 462888907 PXWAJARYPTZVJF-LBPRGKRZSA-N 319.330 4.762 30 20 DJED C=CCC[C@@H](C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccccc1 469252966 WFXOEVFGGULAOC-HSALFYBXSA-N 323.411 4.548 30 20 DJED C=CCN(CC=C)Cc1nc(-c2ccccc2Cl)cs1 480521350 KTLOVRLOWMUBJN-UHFFFAOYSA-N 304.846 4.638 30 20 DJED C[C@H](N[C@@H]1CC[C@@H](c2ccccc2F)C1)c1cccc(C#N)c1 481719751 CYMGQXOBXFYMGH-BMGDILEWSA-N 308.400 4.684 30 20 DJED CC(C)[C@@H](NCc1ccc(C#N)c(F)c1)c1cc2ccccc2o1 484092131 HAWCKPWHJJFUTQ-HXUWFJFHSA-N 322.383 4.930 30 20 DJED C=CC[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1F)c1ccccc1 487635447 OFYBLCOQTWWXRN-CXAGYDPISA-N 315.363 4.502 30 20 DJED C=CCC[C@H](C(=O)Nc1ccc(F)cc1F)c1ccccc1 487655483 OCNJULQOLPXTFS-HNNXBMFYSA-N 301.336 4.653 30 20 DJED C=C[C@H]1CCCCN1Cc1nc(C)c(-c2ccc(Cl)cc2)o1 489431865 QKSYAUXUTSTGSW-INIZCTEOSA-N 316.832 4.844 30 20 DJED N#Cc1cc(NC(=O)CCc2cc3ccccc3o2)ccc1Cl 494695759 RYQHJZJAHRGCAM-UHFFFAOYSA-N 324.767 4.529 30 20 DJED Cc1cc(Cl)c(C(=O)Nc2sc(C)c(C)c2C#N)cc1C 510351626 HMMMNVMUNUVMCS-UHFFFAOYSA-N 318.829 4.759 30 20 DJED CCC1CCC(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 510590877 ZOJRAFKUMDIUIG-UHFFFAOYSA-N 313.445 4.578 30 20 DJED C=CCN(C(=O)CC1CCCCC1)c1nc2c(s1)CCCC2 514596593 ITNGKCGJPXCGDJ-UHFFFAOYSA-N 318.486 4.511 30 20 DJED C[C@@H]1CCCC[C@@H]1CC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 531202932 SZDVXEFDIQUAGL-LMCOJAPRSA-N 324.468 4.501 30 20 DJED CCOc1cc(Cl)ccc1N[C@H](C)c1cccc(C#N)c1 540789801 UIWHJFLIDNVXDS-GFCCVEGCSA-N 300.789 4.783 30 20 DJED C=CCOc1ccc(CN[C@H](C)c2cc(F)c(F)c(F)c2)cc1 552323732 PPRCCUPMUPHVAX-GFCCVEGCSA-N 321.342 4.520 30 20 DJED CC[C@@](C)(C#N)C(=O)N[C@H](C)c1ccc(Cl)c2ccccc12 552433867 FORVAHHPFFROGH-XIKOKIGWSA-N 314.816 4.610 30 20 DJED Cc1cccc([C@H](NCc2ccc(CC#N)cc2)C(C)(C)C)c1 582383450 BGSCGVYLGBELRQ-FQEVSTJZSA-N 306.453 4.938 30 20 DJED C=C(C)COc1cccc(NC(=O)c2ccc(F)cc2Cl)c1 589384298 AQVPBWAGUIMFRV-UHFFFAOYSA-N 319.763 4.686 30 20 DJED C=C1CCN(C(=O)c2sc3cccc(C)c3c2Cl)CC1 594846525 UHMVLEAFDDDDGB-UHFFFAOYSA-N 305.830 4.655 30 20 DJED CCCCN(Cc1ccc(C#N)cc1F)[C@H](C)c1ccc(C)o1 604493657 VQNVIGYYHZCRHE-OAHLLOKOSA-N 314.404 4.962 30 20 DJED C=CCN(CC1CCCCC1)C(=O)N[C@H](C)c1ccsc1 670175222 ITOVVJBMBDCOEH-CQSZACIVSA-N 306.475 4.587 30 20 DJED N#Cc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1Cl 726433706 OEZCLLZOMMKMOX-UHFFFAOYSA-N 322.220 4.674 30 20 DJED C#Cc1cccc(N(CC)C(=O)c2ccc(OCCCC)cc2)c1 728480887 TTWKBYQKTWQXPU-UHFFFAOYSA-N 321.420 4.514 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(Br)s1)C2 730948291 BRPWCJRCICINFE-FLIBITNWSA-N 319.223 4.641 30 20 DJED C=CCCCCCN(C)C(=O)/C=C/c1nc2ccccc2s1 739654716 PZBIRMFURVXUHD-OUKQBFOZSA-N 314.454 4.514 30 20 DJED C=CCCCNc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 742264299 XUDHOIDBNOWUSS-CQSZACIVSA-N 304.434 4.650 30 20 DJED COc1ccc(/C=C2\CCc3cc(SC)ccc3C2=O)cc1 748147422 ODSMUDSMOGORKX-RVDMUPIBSA-N 310.418 4.630 30 20 DJED O=C(/C=C\c1cc(F)cc(C(F)(F)F)c1)c1cccs1 772800831 CHMPFYVVMJPDHF-ARJAWSKDSA-N 300.276 4.802 30 20 DJED C[C@@H](c1ccc(Cl)cc1)[C@@H](C)Nc1cccc(OCC#N)c1 793060365 ASRJHASUZJSAEM-ZIAGYGMSSA-N 314.816 4.846 30 20 DJED O=C(/C=C/c1ccc(SC(F)(F)F)cc1)c1cccnc1 796977190 TZOXQJRQISFGQQ-VMPITWQZSA-N 309.312 4.590 30 20 DJED C#Cc1ccc(CN[C@H](C)c2oc3ccc(OC)cc3c2C)cc1 809615768 KXWIDRFLHOHFPS-OAHLLOKOSA-N 319.404 4.582 30 20 DJED C=CCCCCCCCNC(=O)c1cc(C)oc1C(F)(F)F 811590192 SDGJZDUVVYSQKI-UHFFFAOYSA-N 317.351 4.863 30 20 DJED N#CC1(c2cccc(-c3cccc4ccoc34)c2)CCOCC1 844233297 AJGDEHXPQMFQOT-UHFFFAOYSA-N 303.361 4.672 30 20 DJED N#C[C@H](C(=O)CCC1CCCCCC1)c1nc2ccccc2o1 847629184 VIFFZHMJXCZITI-OAHLLOKOSA-N 310.397 4.755 30 20 DJED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccsc2)cc1 915086749 NCCPFGTXQWFFMF-SFHVURJKSA-N 318.401 4.656 30 20 DJED CCCCCCCCCN(C)Cc1nc(O)c2ccccc2n1 918741216 BODOYZHBFSCKRD-UHFFFAOYSA-N 315.461 4.518 30 20 DJED Cc1ccc(NC(=O)C(C)(C)C)cc1N[C@H](C)CC(C)(C)C#N 926088989 OZBSYBKEUVJTQO-CQSZACIVSA-N 315.461 4.720 30 20 DJED CCCc1ccc(C[S@](=O)CCCCC2(C#N)CCC2)cc1 1120085297 KGKTYMNPTSGXCX-JOCHJYFZSA-N 317.498 4.752 30 20 DJED N#Cc1cc(C(=O)Nc2ccc3c(c2)CCCCC3)ccc1Cl 1130697241 LAKKNIQAQCYROD-UHFFFAOYSA-N 324.811 4.733 30 20 DJED C[C@H](CC(C)(C)C#N)NCC(C)(C)c1cccc(Cl)c1F 1205477689 GOCQIRITPKEJEL-GFCCVEGCSA-N 310.844 4.675 30 20 DJED CC[C@@H](Cc1ccc(C)cc1)N[C@@H]1CCCc2cc(C#N)ccc21 1206329016 RPGADLYPAQJJLE-RBBKRZOGSA-N 318.464 4.855 30 20 DJED CCC(CC)[C@H](NC(=O)c1cc(C#N)ccc1F)c1ccccc1 1264510104 GSEAMPLEXYYKFA-IBGZPJMESA-N 324.399 4.605 30 20 DJED Cc1cc(C)c(/C=C\CN[C@@H](C)c2ccc(C#N)cc2)cc1C 1308229532 GUKXMWKKAXAICI-XFHJGTJQSA-N 304.437 4.848 30 20 DJED CCCN(C(=O)c1csc(C#N)c1)c1cccc2ccccc12 1351664669 VRASKHXZKHFVKK-UHFFFAOYSA-N 320.417 4.830 30 20 DJED CN(c1nc(C(C)(C)C)ccc1C#N)[C@@H]1CCC[C@@H]1C(C)(C)C 1458446956 RBLDZNGVAYPVNY-JKSUJKDBSA-N 313.489 4.902 30 20 DJED CC(C)c1ccc2occ(C(=O)Nc3ccc(C#N)c(F)c3)c2c1 1460672244 DVQKNAFLRTVCGP-UHFFFAOYSA-N 322.339 4.819 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)C(C)(C)C3CC3)c2C#N)[C@@H](C)C1 1527033021 YEUHEPFZJVOBPD-QWRGUYRKSA-N 316.470 4.680 30 20 DJED Cc1c(C#N)cccc1C(=O)O[C@@H](C)c1cc2ccccc2o1 1529384036 XWOUFTJRKGNYFJ-ZDUSSCGKSA-N 305.333 4.531 30 20 DJED Cc1oc2ccc(NC(=O)[C@@H](CC#N)c3ccccc3)cc2c1C 1537725836 RGTOOQMHDZCTDB-KRWDZBQOSA-N 318.376 4.686 30 20 DJED CCCn1c(S[C@@H]2CC[C@H](C#N)C2)nc2cc(Cl)ccc21 1559329048 XQMTUOQWCCNAOZ-WCQYABFASA-N 319.861 4.884 30 20 DJED N#Cc1ccc(CCN2CCC[C@H](c3ccc(F)cc3)CC2)cc1 1559676814 RJMWLKLXHWVPNO-IBGZPJMESA-N 322.427 4.510 30 20 DJED Cc1c(CN2CCC[C@@H](C#N)C2)sc2c(Cl)cccc12 1561004459 ZYQNNSUXJALZBX-LBPRGKRZSA-N 304.846 4.599 30 20 DJED C[C@H]1CC(C(=O)N(c2ccc(C#N)cc2)C2CCC2)C[C@H](C)C1 1588022187 NMIHQCIDDSCBIE-HUUCEWRRSA-N 310.441 4.516 30 20 DJED CN(Cc1ccc(C#N)cc1Cl)[C@H]1CCC[C@@H]1C(C)(C)C 1654775037 LDXFSWKDLVSTJO-RDJZCZTQSA-N 304.865 4.858 30 20 DJED Cc1cccc(C)c1[C@H]1CCCN1Cc1cccc(C#N)c1F 1655033953 SNFVFLIRQNAWBT-GOSISDBHSA-N 308.400 4.651 30 20 DJED C=C(CNC(=O)Nc1cccc(OCC(C)C)c1)c1ccccc1 1658417379 WPNYRUKHTXIDJN-UHFFFAOYSA-N 324.424 4.556 30 20 DJED CCCC(=NNc1cccc(C(=O)O)c1)c1cc(C)sc1C 1776037352 BVLJHZSTFWVJRL-UHFFFAOYSA-N 316.426 4.679 30 20 DJED CCCCCCCCC(=O)N1CC[C@@H](c2ccc(OC)cc2)C1 109930405 IFNVQZZNZGEYHU-GOSISDBHSA-N 317.473 4.762 30 20 DJED C=CC1CCN(C(=O)CCCCCO[C@@H]2CCC[C@@H](C)C2)CC1 163620238 FZVUCAGCDLHXTO-IEBWSBKVSA-N 321.505 4.567 30 20 DJED Cc1ccccc1-c1cccc(CNCc2cccc(C#N)c2)c1 237696508 BLTAHLBHYLLBQY-UHFFFAOYSA-N 312.416 4.824 30 20 DJED C=CCC(C)(C)C(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C 297667212 HFQPQJZTQHBFAN-CYBMUJFWSA-N 308.491 4.697 30 20 DJED OC(=Nc1cccc(-c2nc[nH]n2)c1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 328754128 DPXNBKBHKDFLQY-IJEWVQPXSA-N 324.428 4.666 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@@H]2/N=C(/O)[C@@H]1CCc2cccnc21 329419054 ZUFZJMPZMNZTCQ-ZBFHGGJFSA-N 324.424 4.683 30 20 DJED N#CCCCCN[C@@H]1CCCCc2cc(Br)ccc21 338775956 HXBVCJJZTIEYSH-MRXNPFEDSA-N 321.262 4.500 30 20 DJED N#CCc1cc(Cl)ccc1NC(=O)c1ccc(C2CCC2)cc1 410962202 CAJZPQWZVSMOJL-UHFFFAOYSA-N 324.811 4.926 30 20 DJED C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cccc(C2CC2)c1 453247722 OQCGRTBNVDWHJO-SPLOXXLWSA-N 302.421 4.774 30 20 DJED CC(C)(C#N)CCCN1Cc2ccccc2-c2ccccc2C1 472255931 HMMXIEBGRVDNIZ-UHFFFAOYSA-N 304.437 4.999 30 20 DJED C=C(C)[C@@H](NCc1ccc(F)c(F)c1)c1ccc(F)c(F)c1 479416656 ZEGHJCUDHCGTNH-QGZVFWFLSA-N 309.306 4.650 30 20 DJED Cc1nc2cc(Cl)c(N[C@H]3CCC[C@H](C#N)C3)cc2s1 482079386 RIGGRNTZLGNNKX-QWRGUYRKSA-N 305.834 4.752 30 20 DJED C=CCC[C@H](N[C@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 536841986 XSGMCMDUGMSHHO-APWZRJJASA-N 323.436 4.816 30 20 DJED C=CCCCC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 549025085 DQJRNZOKXUNYSV-MRXNPFEDSA-N 311.347 4.629 30 20 DJED C[C@@H]1CC[C@@H](c2ccccc2)N(c2ncc(C#N)cc2Cl)C1 553333896 NKLNHLZAVSORJD-DYVFJYSZSA-N 311.816 4.584 30 20 DJED N#Cc1csc(C(=O)Nc2cccc(-c3ccccc3)c2)c1 554040182 JUVCCTCYUSWCHB-UHFFFAOYSA-N 304.374 4.539 30 20 DJED C=CCC[C@H](NCCc1csc(C(C)C)n1)c1ccco1 556873377 WLHBJTXXEZTMFJ-HNNXBMFYSA-N 304.459 4.699 30 20 DJED CC(C)Cc1cccc([C@H](C)C(=O)Nc2ccccc2CC#N)c1 561797761 NPVJKQFMUWUVAE-INIZCTEOSA-N 320.436 4.693 30 20 DJED Cc1cc([C@H](N[C@H]2CCc3ccc(C#N)cc32)C2CC2)ccc1F 578472522 BNGRIOJPNCCEKO-LEWJYISDSA-N 320.411 4.734 30 20 DJED N#CCCCCCc1nc(-c2c(Cl)cccc2Cl)no1 588320714 KDBSGNAEVNQBNJ-UHFFFAOYSA-N 310.184 4.670 30 20 DJED CC(C)(C)[C@@H](NC(=O)CCCCCC#N)c1ccc(F)cc1F 588647172 ZNIOFSLBHWTNCN-KRWDZBQOSA-N 322.399 4.642 30 20 DJED C=CCN(CC=C)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 591608930 UWFDFIPYOYRSBI-KRWDZBQOSA-N 318.848 4.565 30 20 DJED Cc1cc(C)c2c(c1)CC[C@@H]2N[C@@H](CCC#N)c1ccccc1 594499385 DCDMWBBHLSKOQT-PMACEKPBSA-N 304.437 4.925 30 20 DJED Cc1nc(SCC2(CC#N)CC2)n(C2CCCCC2)c1C 594880515 LBOLUIUWQXCDBO-UHFFFAOYSA-N 303.475 4.791 30 20 DJED CCCN(C(=O)c1cccc(C)c1)c1cc(Cl)ccc1C#N 609286296 SMLDFUAACVJZFB-UHFFFAOYSA-N 312.800 4.577 30 20 DJED CCCC[C@H](CC)CC(=O)N[C@@H](C#N)c1ccccc1Cl 609766552 OVWHZAINESSWQX-BBRMVZONSA-N 306.837 4.627 30 20 DJED C[C@@H](NCc1ccc(C#N)c(Cl)c1)C1CCC(F)(F)CC1 619755230 CYQFOWHCIVBOGZ-LLVKDONJSA-N 312.791 4.515 30 20 DJED C=CCN(C(=O)Nc1ccc(C)c(OCCC(C)C)c1)C(C)C 740463698 SKXKJCJBJWCDFZ-UHFFFAOYSA-N 318.461 4.848 30 20 DJED CCn1nccc1/C=C/C(=O)c1ccc(Oc2ccccc2)cc1 753714616 OHTKXLHASPFIHB-JLHYYAGUSA-N 318.376 4.591 30 20 DJED C[C@@H](C#N)Oc1ccc(CN(CC2CC2)C2CCCCC2)cc1 769306623 AVMRGZCTRFSCOV-INIZCTEOSA-N 312.457 4.522 30 20 DJED C=C(Cl)CN[C@H](C)c1ccc(-c2ccccc2OC)cc1 773005500 RGHMDZRSZPSYMJ-CQSZACIVSA-N 301.817 4.765 30 20 DJED CC(C)(C)c1cnc(/C=C2\Cc3c(F)ccc(F)c3C2=O)s1 790600960 PHDAHOFFBAHWPC-VQHVLOKHSA-N 319.376 4.541 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(SCCSC(C)C)n1 800832185 XXQVBOZZHBXBIS-UHFFFAOYSA-N 320.405 4.514 30 20 DJED CC(CCCCCCC(=O)O)=NNc1cccc(Cl)c1F 814819158 WLCNDXLWDSEWPB-UHFFFAOYSA-N 314.788 4.692 30 20 DJED CC1(C#N)CCC(Nc2cccc(COC(C)(C)C)c2)CC1 897124172 DACGZHLKXUASBF-UHFFFAOYSA-N 300.446 4.886 30 20 DJED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3(C)CCCC3)n2)cc1 916628521 WHPVSHOELJSNHL-OAHLLOKOSA-N 324.449 4.875 30 20 DJED CCC1(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCC1 1125536866 RMMHHKRERNILGS-UHFFFAOYSA-N 320.392 4.869 30 20 DJED CC(C)C[C@@H](C)CC(=O)Nc1scc(C(C)(C)C)c1C#N 1129361746 UZKTUCIWTHSHTB-GFCCVEGCSA-N 306.475 4.928 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)CCCc1ccccc1Cl 1171400228 VGDJYTMPTOUVIQ-HNNXBMFYSA-N 312.844 4.837 30 20 DJED CC(C)[C@@H]1CCc2c(sc(NC(=O)CCC3CC3)c2C#N)C1 1274183547 YEMDPOOYSATLQT-CYBMUJFWSA-N 316.470 4.509 30 20 DJED CC[C@@H](C#N)C(=O)Nc1ccc(Sc2cc(C)ccc2C)cc1 1290059993 RTZWTRTYYNCBPL-HNNXBMFYSA-N 324.449 4.943 30 20 DJED Cc1cc(C)c(C#N)c(N[C@H](C)c2ccccc2OC(C)C)n1 1317902496 DCQYJFRSOKSJAV-OAHLLOKOSA-N 309.413 4.530 30 20 DJED CCC[C@@](C)(CC)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 1352922113 KNPSVOIWHOXQKR-HXUWFJFHSA-N 314.473 4.759 30 20 DJED CC[C@H](Cc1cccc(C)c1)C(=O)O[C@@H](C)c1ccc(C#N)cc1 1457193047 RCTGZTLULIDUIH-QFBILLFUSA-N 321.420 4.740 30 20 DJED C=C(Br)CN(C1CC1)[C@H](C)c1ccccc1Cl 1459459815 XMRLQLBYKWNMPF-LLVKDONJSA-N 314.654 4.774 30 20 DJED C[C@H](NCc1cc(C#N)ccc1F)[C@H](C)c1ccc(Cl)cc1 1462589113 SMBUIXDOKPKWBJ-STQMWFEESA-N 316.807 4.633 30 20 DJED N#Cc1ccc(OCc2cc(Cl)ccc2OCC2CC2)cc1 1472927334 FMLDFMJCKXZESE-UHFFFAOYSA-N 313.784 4.579 30 20 DJED C[C@H](OC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1cccc(C#N)c1 1516882223 KTCAFMXSEAZMDH-QNDJGXFYSA-N 311.425 4.769 30 20 DJED Cc1cc2occ(C(=O)O[C@@H](C)c3ccc(C#N)cc3)c2cc1C 1533619596 RDFPGBNUJNUIRR-AWEZNQCLSA-N 319.360 4.839 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)Nc1cc(C#N)c(F)cc1F 1535868474 SQSSFSXDYNYXDJ-ZDUSSCGKSA-N 320.383 4.772 30 20 DJED Cc1ccc(C(=O)Nc2scc(C)c2C#N)cc1C(F)(F)F 1544277843 UNGYAFMRYKLXMC-UHFFFAOYSA-N 324.327 4.508 30 20 DJED CCc1nc(C#N)cc(N[C@@H](c2ccc(C(C)C)cc2)C(C)C)n1 1559055695 ZCVVYTQJBUULEN-HXUWFJFHSA-N 322.456 4.843 30 20 DJED Cc1cc(SCc2ncc(-c3ccc(F)cc3)o2)ccc1C#N 1559429809 ZQQGNHMGKCEDKU-UHFFFAOYSA-N 324.380 4.953 30 20 DJED Cc1nc(N2CC3(CCCCC3)[C@H]2c2ccccc2)ccc1C#N 1612459336 RKOOCZXSSGGMKS-HXUWFJFHSA-N 317.436 4.774 30 20 DJED C[C@@H](c1cccc(F)c1)N1CCC(c2ccc(C#N)cc2)CC1 1620623108 LQMMRTATFNIDBV-HNNXBMFYSA-N 308.400 4.638 30 20 DJED CC[C@H](C)Oc1cc(CNc2cccc(C#N)c2C)ccc1OC 1620955228 XDNAENCXRIYYMS-AWEZNQCLSA-N 324.424 4.665 30 20 DJED C[C@@H]1C[C@H]1c1ccc(CN(Cc2ccc(C#N)c(F)c2)C2CC2)o1 1621210194 ITBUPJBGTGRCJY-FZKQIMNGSA-N 324.399 4.578 30 20 DJED N#Cc1ccc(F)c(CN[C@@H]2CCCC[C@@H]2C2CCCCC2)c1 1621524444 KRKGRKNJMHANPJ-UYAOXDASSA-N 314.448 4.926 30 20 DJED CCC[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 1629720026 RWXLMRRTCJEBHJ-BTHPGYMESA-N 324.468 4.501 30 20 DJED N#Cc1cc2c(nc1S[C@@H]1CCc3c(F)cccc31)CCCC2 1643615652 SPYOZXSJOAEQLV-GOSISDBHSA-N 324.424 4.751 30 20 DJED N#Cc1ccc(CN(CCCC2CC2)Cc2cccc(F)c2)cc1 1644804054 HARXSTHGIPRFTQ-UHFFFAOYSA-N 322.427 4.890 30 20 DJED CC1CCC(N(Cc2ccc(Cl)cc2C#N)C2CC2)CC1 1652304692 NYVOSAGMQCLRAO-UHFFFAOYSA-N 302.849 4.755 30 20 DJED CC(C)(CC#N)CSc1nccn1-c1cccc(Cl)c1 1652569670 OXQQUZQHQSQSLS-UHFFFAOYSA-N 305.834 4.558 30 20 DJED Cc1cc(N[C@H](CCC#N)c2ccccc2)nc(C2CCC2)n1 1655297596 XGIMLYJQALTSDQ-QGZVFWFLSA-N 306.413 4.510 30 20 DJED C[C@@H](Nc1nc(C#N)c(Cl)s1)c1ccc2c(c1)CCCC2 1655357352 ZDMWFUVYRASVLS-SNVBAGLBSA-N 317.845 4.720 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1ccc(Cl)c(C)c1 1657468029 WFDUHWUECWMBPX-UHFFFAOYSA-N 312.844 4.932 30 20 DJED CCCC[C@@H](C)N(CCCC)Cc1cc(C#N)ccc1OC 1658747286 UXLGEVRKPJXHLO-MRXNPFEDSA-N 302.462 4.748 30 20 DJED C[C@H](CC1CCCCC1)NC(=O)Nc1ccc(C#N)cc1Cl 1669350659 OJEZAJRPHSJYCF-GFCCVEGCSA-N 319.836 4.692 30 20 DJED CC[C@H](C)c1ccc(C(C)=NNc2ccccc2C(=O)O)cc1 1776031137 OFBGPVCLIGWIMT-ZDUSSCGKSA-N 310.397 4.734 30 20 DJED C[C@H](CC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 25437512 WPIZTWUZZUEZOA-OAHLLOKOSA-N 306.409 4.620 30 20 DJED N#Cc1ccc(Cl)cc1OCc1ccccc1Br 129027404 VEIZJQHKRHYFPD-UHFFFAOYSA-N 322.589 4.553 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1ccc(Oc2ccccc2)o1 176207304 VXCFEQFRWQAPFR-UHFFFAOYSA-N 318.332 4.504 30 20 DJED C[C@@H](NCCCCC#N)c1cccc(OCc2ccccc2)c1 178640422 SKNHBPFVQZQCJH-QGZVFWFLSA-N 308.425 4.610 30 20 DJED CCCCCCCCC(=O)N1C[C@@H](C)C[C@H]1c1cccnc1 182163591 SDJNHOPIYYWLMR-WMZOPIPTSA-N 302.462 4.742 30 20 DJED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NCCCC#N 184088267 HONCRNITSVXOMM-NSHDSACASA-N 319.861 4.726 30 20 DJED C=C(C)CN1CCC(N[C@H](C)c2cc3ccccc3s2)CC1 187978079 PQGUIEBOCPLYHP-OAHLLOKOSA-N 314.498 4.592 30 20 DJED N#C[C@H](C(=O)c1ccc(C2CCC2)cc1)c1nc2ccccc2o1 192202321 BPQGIQNKVHBITF-MRXNPFEDSA-N 316.360 4.585 30 20 DJED CCC[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccccc1 194890613 MIKUERCHMMNFHE-OAQYLSRUSA-N 321.468 4.667 30 20 DJED CCCCCCCC(=O)Nc1ccc(Cc2ccncc2)cc1 219336830 IBQPICVWOSVOEH-UHFFFAOYSA-N 310.441 4.971 30 20 DJED C[C@@H](CC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 248146717 FFCASEKKRDPYPS-ZDUSSCGKSA-N 324.449 4.631 30 20 DJED Cc1ccc(-c2ccc(C)c(NC(=O)C3(C#N)CCCC3)c2)o1 279806497 NJFUCVPCOBBZBW-UHFFFAOYSA-N 308.381 4.586 30 20 DJED C[C@H]1[C@H](C)CCC[C@H]1Nc1ccc(C#N)c(Br)c1 300291526 AXBBTPLEQZOWDZ-JRPNMDOOSA-N 307.235 4.557 30 20 DJED C=CCCN[C@H](c1ccccc1)c1ccc(Br)cc1 303917465 VFJFSNLEAZKQHT-QGZVFWFLSA-N 316.242 4.704 30 20 DJED C=CCC(C)(C)CNC(=O)Nc1ccc(CC(F)(F)F)cc1 432973136 ONSNGNSVOIGRSY-UHFFFAOYSA-N 314.351 4.515 30 20 DJED CCN(Cc1cc2c(F)cccc2[nH]1)[C@@H](C)c1ccc(C#N)cc1 437579072 NHBOEQJWNIWYBY-AWEZNQCLSA-N 321.399 4.762 30 20 DJED Cc1cc(CNCc2ccc(C#N)c(C)c2)c2[nH]c(C)c(C)c2c1 443978408 JXPLPYVTIHOGDE-UHFFFAOYSA-N 317.436 4.563 30 20 DJED CC[C@@H](NCCc1cc2ccccc2o1)c1ccc(C#N)cc1 447587688 RVJINTYMCYRQEK-LJQANCHMSA-N 304.393 4.588 30 20 DJED Cc1[nH]c(C#N)cc1C(=O)Nc1c(C(C)C)cccc1C(C)C 448765063 WLJIVURGYLONEZ-UHFFFAOYSA-N 309.413 4.694 30 20 DJED C=CCC1(NC(=O)Nc2cnn([C@@H](C)CC)c2C)CCCCC1 455264264 OIOFUKKOBXMPOL-AWEZNQCLSA-N 318.465 4.563 30 20 DJED CCc1ccc([C@@H](C)NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1 474188451 HXSZZNJJOIUGLJ-OAHLLOKOSA-N 320.436 4.541 30 20 DJED C=CCC[C@H](C(=O)N[C@H](C)c1cccc(OC)c1)c1ccccc1 487685465 HZUPPOXQDDGTTP-UZLBHIALSA-N 323.436 4.622 30 20 DJED C=CCOc1cccc(NC(=O)N[C@@H](CC)c2cccs2)c1 510658170 NIGATGKCQIMYFU-HNNXBMFYSA-N 316.426 4.586 30 20 DJED CCCN(Cc1ccccc1C#N)[C@H](C)c1ccccc1OC 519906056 DXSGNLZTFILLGQ-MRXNPFEDSA-N 308.425 4.540 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 536218870 DVWXAYXSMRAZCD-ZDUSSCGKSA-N 315.800 4.647 30 20 DJED Cc1ccc(Oc2ccc(NCc3ccc(C#N)s3)cn2)cc1 540807186 BJVZKZWMGNZGFB-UHFFFAOYSA-N 321.405 4.728 30 20 DJED C=CC1CCN(C(=O)c2ccccc2Nc2ccc(C)cc2)CC1 580346556 ONTRQQFARXWESN-UHFFFAOYSA-N 320.436 4.777 30 20 DJED CC(C)OCc1ccccc1CNc1c(Cl)cccc1C#N 610273088 NULOEBKPJGJDSE-UHFFFAOYSA-N 314.816 4.749 30 20 DJED CCCCSc1ccc(Cl)cc1C(=O)NCC(C)(C)C#N 612566569 DKQHTJLULUXEOC-UHFFFAOYSA-N 324.877 4.512 30 20 DJED C=CCN(Cc1ccccc1)C(=O)C1CC(c2ccc(F)cc2)C1 644788150 NCESBBMQHOIQLT-UHFFFAOYSA-N 323.411 4.534 30 20 DJED C=CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C(C)C 727787709 JPLUSUFKFXFGEV-CHWSQXEVSA-N 312.240 4.520 30 20 DJED CC(C)(C)c1ncc(/C=C/C(=O)c2ccccc2Cl)s1 736430828 JHXPBUOMZZMXIW-CMDGGOBGSA-N 305.830 4.990 30 20 DJED Cc1ccc(C)c(C(=O)/C=C/C=C\c2ccccc2[N+](=O)[O-])c1 750901318 RIQYCQZVVMBVAR-KHPAHMTISA-N 307.349 4.664 30 20 DJED CC(C)c1nc(C(=O)/C=C\c2cnc(-c3ccccc3)s2)co1 752888673 NXLSDHWUJINKTM-HJWRWDBZSA-N 324.405 4.818 30 20 DJED O=C1/C(=C\c2coc(-c3ccccc3)n2)Cc2ccc(Cl)cc21 762445984 CDTRFLQDZRINDF-ZROIWOOFSA-N 321.763 4.817 30 20 DJED CC(C)(CCC#N)CN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 768531466 WTDIIPGJKQMYGI-OAHLLOKOSA-N 324.390 4.825 30 20 DJED N#Cc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1F 770568575 GMZHQHKUTCKJSK-PKNBQFBNSA-N 301.320 4.747 30 20 DJED C[C@H](NCc1ccc(SC(F)F)cc1)c1cccc(C#N)c1 775336043 XZFUYVQWYGEBDN-LBPRGKRZSA-N 318.392 4.724 30 20 DJED Clc1ccc([C@@H]2CCCC2=NNc2ncccn2)cc1Cl 776184948 BSIDNEAIHAEWSQ-NSHDSACASA-N 321.211 4.519 30 20 DJED Cc1ccc([C@H](NCc2cc(C#N)ccc2F)C2CCC2)cc1 779036718 QPHHWTKBQVDZOY-HXUWFJFHSA-N 308.400 4.637 30 20 DJED Cc1cc(/C=C\C(=O)c2cnn(C(C)C)c2C)ccc1Cl 787186466 CLLBBZMQQGSCQW-VURMDHGXSA-N 302.805 4.630 30 20 DJED CC(C)C[C@@H]1C[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 835070330 NCAOUAKHMMOATI-BZUAXINKSA-N 324.449 4.669 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(OC)c3ccccc23)cc1 916546915 OAITYHLLGJHGIF-LCYFTJDESA-N 318.372 4.753 30 20 DJED COc1cccc2c(CN[C@H](C)c3ccc(C#N)cc3)cccc12 1177525241 QJWNYBKZSVSFQP-OAHLLOKOSA-N 316.404 4.571 30 20 DJED N#Cc1csc(CN[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)c1 1178971992 NKTPSKUDRUHANV-ZBFHGGJFSA-N 316.857 4.699 30 20 DJED Cc1c(C#N)cccc1NC(=O)N(C)c1ccc(C(C)(C)C)cc1 1310419121 PFPOPOJYKXBAOA-UHFFFAOYSA-N 321.424 4.833 30 20 DJED Cc1ccc(C=NOCc2ncc(-c3ccccc3C)o2)cc1 1319070537 HVXBKWBCLROIPM-UHFFFAOYSA-N 306.365 4.509 30 20 DJED N#Cc1ccc2nc(NCc3cccc(Cl)c3F)ccc2c1 1319868168 JFIBUSXVHOJOKZ-UHFFFAOYSA-N 311.747 4.511 30 20 DJED C[C@@H](Cc1ccccc1Cl)Nc1ccccc1O[C@H](C)C#N 1320288445 VTFIBQYWEDUPOB-UONOGXRCSA-N 314.816 4.674 30 20 DJED C[C@H]1/C(=C\c2ccc(N3CCCC3)cc2)C(=O)c2ccccc21 1324190832 WTODUJOQBBIIIF-NPQOUYBPSA-N 303.405 4.670 30 20 DJED Cc1ccccc1[C@H](C)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 1342739816 AWBAYUUSVCBLKR-ZFWWWQNUSA-N 312.438 4.555 30 20 DJED CC(C)(C#N)CC(=O)N(CCCc1ccccc1)c1ccccc1 1436593895 AUKVEZKNQHZOQG-UHFFFAOYSA-N 320.436 4.592 30 20 DJED CC[C@H](CC(=O)Nc1cc(C(C)(C)C)sc1C#N)C(C)C 1458457329 VEFFSEUDYFFSNB-GFCCVEGCSA-N 306.475 4.928 30 20 DJED C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C2CCC2)c1 1460519177 GFHQBAPUMWYCSK-OAHLLOKOSA-N 318.420 4.643 30 20 DJED CCC[C@@H](CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)OC 1462082443 RYOZMCKQJJGNFO-IERDGZPVSA-N 322.452 4.691 30 20 DJED CC1(C)CCCN(CC2CCC(c3ccccc3)CC2)[C@H]1C#N 1473448809 LZBFIAGYQAZMPI-UUKMXZOPSA-N 310.485 4.975 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc(C2CC2)c1 1474185652 VYWYIXRFRHQYKI-OAQYLSRUSA-N 302.421 4.603 30 20 DJED CCCN(C(=O)c1csc(C#N)c1)[C@@H](CC)c1ccccc1 1524902579 RNTUIVDGIGSNQP-KRWDZBQOSA-N 312.438 4.623 30 20 DJED C[C@H](CC(=O)N(C)[C@H](C)c1cccc(C#N)c1)C1CCCCC1 1529667411 YJZGPFCUZCXIGN-HZPDHXFCSA-N 312.457 4.684 30 20 DJED CCC[C@H](C(=O)Nc1ccccc1C#N)c1cccc(Cl)c1 1529991293 BBERABMWBSWCJG-INIZCTEOSA-N 312.800 4.734 30 20 DJED C[C@H]1C[C@H](C)CC[C@H]1Nc1c(Br)cccc1C#N 1559107192 TXWVRNHDVPANGX-UHIISALHSA-N 307.235 4.557 30 20 DJED N#Cc1ccc(F)cc1CSc1nc2cccc(F)c2s1 1559458077 QUXQQWIDXVAMSU-UHFFFAOYSA-N 318.373 4.738 30 20 DJED CC(C)[C@H]1CCC[C@H](Nc2c(Br)cccc2C#N)C1 1611953374 XEDVMQVRPYMZQK-JSGCOSHPSA-N 321.262 4.947 30 20 DJED CC(C)C[C@@H](Nc1nc(C#N)c(Cl)s1)c1ccccc1 1641986241 CWDXNOMIQIOOBL-GFCCVEGCSA-N 305.834 4.867 30 20 DJED C[C@H]1C[C@@H](c2ccccc2)CN1c1nc(C(C)(C)C)ccc1C#N 1642262359 HFMUMJVULWVNQN-MAUKXSAKSA-N 319.452 4.633 30 20 DJED C=C(Cl)CN[C@H](Cc1ccccc1Cl)c1ccccc1 1642553168 OJQIBRGKOBGBFN-QGZVFWFLSA-N 306.236 4.966 30 20 DJED C=C(Br)CN1CC2(CCCCC2)[C@@H]1c1ccccc1 1643356068 PCNNDGMYKFHHGH-INIZCTEOSA-N 320.274 4.902 30 20 DJED C=C(Cl)CNCc1ccccc1Sc1cccc(OC)c1 1650312317 GAMMRCPHHXNLCU-UHFFFAOYSA-N 319.857 4.689 30 20 DJED N#Cc1ccc(CSc2ccccc2)c(Br)c1 1651624090 JJGFBDVLFSPCTG-UHFFFAOYSA-N 304.212 4.613 30 20 DJED Cc1ccccc1C[C@@H]1CCCN1CCC1(C#N)CCCCC1 1653402160 KVSDABHMVLWCIQ-FQEVSTJZSA-N 310.485 4.866 30 20 DJED CN(Cc1ccc(F)cc1C#N)[C@H]1CCCC[C@@H]1c1ccccc1 1654733837 RCYHOACWTWEBAZ-RTWAWAEBSA-N 322.427 4.856 30 20 DJED C[C@@H](CCC#N)CN1CCC[C@@H]1c1ccccc1Br 1659112679 VPTUJPVJSBNSJD-XJKSGUPXSA-N 321.262 4.526 30 20 DJED C=C(CNC(=O)Nc1cccc2ccccc12)c1ccccc1 1665768117 LSTCXSHFAVPCDQ-UHFFFAOYSA-N 302.377 4.675 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCc1ccc(F)cc1F 84919151 HIXRBFSQTUSDAN-GFCCVEGCSA-N 318.392 4.971 30 20 DJED CCCC[C@H](NCc1ccc(C#N)cc1)c1ccc(OC)cc1 103172569 LUNCLNVMXSOZNV-FQEVSTJZSA-N 308.425 4.588 30 20 DJED CCc1ccc(NCc2ccc(OC)c(OCCCC#N)c2)cc1 114760262 CABRYISCWQECTE-UHFFFAOYSA-N 324.424 4.552 30 20 DJED CCc1cc(C#N)c(NC(=O)[C@H](C)c2ccc(Cl)s2)s1 175764026 JGGQFAVOYHLSAA-MRVPVSSYSA-N 324.858 4.639 30 20 DJED C=C(C)[C@H](NC(=O)[C@H](C)c1cccs1)c1ccc(F)c(F)c1 186053476 DAMLDEOSTZLWPK-BZNIZROVSA-N 321.392 4.563 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)CC1CC1 191515314 XSRRCKRLKBJCNT-CQSZACIVSA-N 300.446 4.849 30 20 DJED O=C(/C=C/c1csc(-c2ccsc2)n1)c1ccsc1 194614308 ILHGPBJGRNPPNW-OWOJBTEDSA-N 303.433 4.829 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)CCc1ccccc1 264517984 KALWFNYMLVEPAI-OAHLLOKOSA-N 324.449 4.510 30 20 DJED C[C@H](Nc1ncc(-c2ccccc2)s1)c1ccc(C#N)cc1 301522632 ODSRMQMHIKRTJN-ZDUSSCGKSA-N 305.406 4.855 30 20 DJED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cccc(F)c1F 341898376 SUWXHVTVJWUUCM-KZULUSFZSA-N 312.363 4.565 30 20 DJED CC(C)CCN(CCC#N)Cc1cscc1C(F)(F)F 356189431 GAXVSYCUQYCVIW-UHFFFAOYSA-N 304.381 4.529 30 20 DJED CC[C@@H](SCCC(=O)Nc1cccc(C#N)c1)c1ccccc1 437291463 LXOCIVTURIQXNX-GOSISDBHSA-N 324.449 4.771 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2ccc(OC)cc2C)CCCC1(C)C 444900205 RDKXRGMWBLMGGL-KRWDZBQOSA-N 316.445 4.602 30 20 DJED CSc1ccc(OCCSc2ccc(C#N)cc2F)cc1 463189620 ATTVPUYNXUZKPP-UHFFFAOYSA-N 319.426 4.590 30 20 DJED C=CCCCCCN(C)C(=O)C[C@H](C)c1c[nH]c2ccccc12 469473143 VXVYTXBWXCYSJI-INIZCTEOSA-N 312.457 4.866 30 20 DJED N#C[C@@H]1CC[C@H](NCc2ccc(Sc3ccccc3)cc2)C1 472155459 LVWSVIWZJHWZCS-SJORKVTESA-N 308.450 4.620 30 20 DJED COc1cccc(OC)c1SCC#Cc1ccc(Cl)cc1 473515502 YMKQOGIXBQOSCH-UHFFFAOYSA-N 318.825 4.501 30 20 DJED C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)[C@@H]1c1ccccc1 487397957 VJIUAUZDXAQQRE-UZLBHIALSA-N 304.437 4.681 30 20 DJED C=C(C)CN(C)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 497503896 MGJSAFXYPLZCNF-MRXNPFEDSA-N 306.425 4.521 30 20 DJED C=CCOc1cccc(CNc2ccc(C)c(OC(F)F)c2)c1 524457093 HUKUPJMNYMFIGX-UHFFFAOYSA-N 319.351 4.773 30 20 DJED CC(C)(C#N)CCN[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F 526087089 GYZXIZMJKUCXIW-HOCLYGCPSA-N 324.390 4.871 30 20 DJED CCCCN(C(=O)c1ccc(CC#N)cc1)[C@H](C)c1ccccc1 535397258 KDIREJRKLAEGRX-QGZVFWFLSA-N 320.436 4.756 30 20 DJED Cc1ccc(CN[C@H](C)c2cccc(C#N)c2)c(OC(C)(C)C)c1 537295379 IXOSSYUVLUPOOF-MRXNPFEDSA-N 322.452 4.895 30 20 DJED CCCN(CC1(C#N)CC1)[C@@H](C)c1ccccc1Br 540512792 NTWSQPOZKSCYTE-ZDUSSCGKSA-N 321.262 4.526 30 20 DJED N#Cc1cccc(C2(NCc3c(Cl)oc4ccccc34)CC2)c1 551228403 UDAWRBVKNWPGJE-UHFFFAOYSA-N 322.795 4.737 30 20 DJED N#C[C@@H]1CC[C@@H](N2CCC[C@@H](Cc3csc4ccccc34)C2)C1 569112374 AKIUUVQGQREHQY-SOLBZPMBSA-N 324.493 4.848 30 20 DJED CC(C)(CCC#N)CNCc1ccc(-c2cccc(F)c2)s1 570310004 FRYSMPCPFJQBGT-UHFFFAOYSA-N 316.445 4.974 30 20 DJED C=CCOc1ccc(CN[C@@H](C)CCc2ccco2)cc1Cl 589636137 ZUMKCGGJGZCXBL-AWEZNQCLSA-N 319.832 4.609 30 20 DJED C[C@H](CCC#N)CN(Cc1cccc(-c2cccnc2)c1)C1CC1 602485272 XBSOLCQPCFDXGG-QGZVFWFLSA-N 319.452 4.653 30 20 DJED CC(C)Oc1ccccc1[C@H](C)Nc1ncc(C#N)cc1Cl 608885985 JHJUMNNHNHLADS-LBPRGKRZSA-N 315.804 4.567 30 20 DJED Cc1cc(C#N)ccc1CN[C@H](CC1CCC1)c1ccccc1 614407670 VYWKZFWSLIGHSY-OAQYLSRUSA-N 304.437 4.888 30 20 DJED C=C(C)[C@@H](N[C@@H]1CCCc2cccnc21)c1ccc(F)c(F)c1 684962763 XMRPHTFAFGVQIG-QZTJIDSGSA-N 314.379 4.644 30 20 DJED Cn1cc(C(=O)/C=C\c2ccc3ncccc3c2)c2ccccc21 726741801 ZQKHJBSRGYATKR-LUAWRHEFSA-N 312.372 4.623 30 20 DJED O=C(/C=C\C1=Cc2ccccc2OC1)c1nc2ccccc2s1 726744132 UCNWKGSKEOGVOZ-KTKRTIGZSA-N 319.385 4.511 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)/C=C\c1ccccc1 731332053 BWIVPBHIOJSFOX-QYMJWVLRSA-N 322.433 4.733 30 20 DJED CSc1ccc(C(=O)/C=C\c2ccc(N(C)C)cc2)cc1F 741846476 GMIDWXYRROKLGR-POHAHGRESA-N 315.413 4.510 30 20 DJED C=CC[C@@H](NC(=O)c1ccc([C@H](C)CC)cc1)c1ccncc1 755322448 WRSGFLZKVQHROU-DNVCBOLYSA-N 308.425 4.642 30 20 DJED CC(C)(C)Oc1ccc(C(=O)/C=C\c2ccc(C#N)s2)cc1 764921242 PFYXDDINRDHDGD-KHPPLWFESA-N 311.406 4.693 30 20 DJED CCC(=NNc1ncccc1Cl)c1c(F)cccc1Cl 767776167 LOKABVINWIGTKQ-UHFFFAOYSA-N 312.175 4.754 30 20 DJED CC[C@@H](Cc1ccccc1)C(=O)OCCCCC(C)(C)C#N 768693089 NDQFJRLBQJINKX-KRWDZBQOSA-N 301.430 4.519 30 20 DJED Fc1ccc(C#CCSC2=Nc3ccccc3CS2)cc1 771146785 MBMIEHASQFZJSC-UHFFFAOYSA-N 313.422 4.845 30 20 DJED Clc1ccccc1-c1ccc(C=NOC2CCOCC2)s1 774470327 MIETZCSSRKNDIG-UHFFFAOYSA-N 321.829 4.598 30 20 DJED O=C(/C=C/c1ccc(-c2cccs2)cc1F)c1ccncc1 776187996 GSMZOYBOHQHQBJ-AATRIKPKSA-N 309.365 4.845 30 20 DJED C#CCCCCCC(=O)OCc1cc(Cl)cc2cccnc12 780258390 JTSZTOAAVVQSSJ-UHFFFAOYSA-N 315.800 4.515 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)OCCCC(C)(C)C#N 784952606 AFVNCTNFQANVFY-HOTGVXAUSA-N 313.441 4.849 30 20 DJED FC(F)(F)Oc1ccccc1NN=Cc1ccsc1Cl 790175745 IKUVOZCMALRAIV-UHFFFAOYSA-N 320.723 4.746 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc(C(F)F)cc2)cc1OC 794931309 KXMNKYOVYWBNKY-UITAMQMPSA-N 318.319 4.538 30 20 DJED CC(=NNc1cccc(F)n1)c1ccc(SC(C)C)cc1 795007426 ZCUVYNPBARUDHQ-UHFFFAOYSA-N 303.406 4.557 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(F)cc2F)c(Cl)c1 797126174 CXNXVWSESRJIIR-CLTKARDFSA-N 308.711 4.523 30 20 DJED c1cncc([C@H]2CCCC(=NNc3nccc4sccc34)C2)c1 799876314 NDEQSWRYUOFXQW-ZDUSSCGKSA-N 322.437 4.817 30 20 DJED CCOc1c(Cl)cccc1/C=C\C(=O)c1coc(C(C)C)n1 806558083 RIUBVONUGYVYRT-HJWRWDBZSA-N 319.788 4.746 30 20 DJED Cc1nn(C)c2sc(C(=O)/C=C\c3ccsc3Cl)cc12 806577273 SKTMZJLLLVZDPR-ARJAWSKDSA-N 322.842 4.554 30 20 DJED C=CCC(F)(F)C(=O)Nc1ccccc1Oc1cccc(F)c1 815087763 YXPLTNPDULSBBM-UHFFFAOYSA-N 321.298 4.768 30 20 DJED N#Cc1cccc([C@@H]2C[C@H]2c2nc(-c3ccccc3Cl)no2)c1 904571321 YRCACJBDZZIQHL-LSDHHAIUSA-N 321.767 4.533 30 20 DJED CC(=NN[C@H](C)c1ccccc1)c1sc(C(C)(C)C)nc1C 920382773 OEYCSDGZSBTVMM-GFCCVEGCSA-N 315.486 4.824 30 20 DJED Cc1cc(CN(C2CC2)[C@@H]2CCc3ccccc32)ccc1C#N 1308580488 UIKTUVKZUCOZHU-OAQYLSRUSA-N 302.421 4.519 30 20 DJED CCOc1ccc(C#N)cc1N[C@H]1CC[C@](C)(c2ccccc2)C1 1308677606 PRXYHWBPHNLOAJ-RXVVDRJESA-N 320.436 4.879 30 20 DJED Cc1cccc2oc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)cc12 1342818296 LNTGKMVLRXZXSM-ZDUSSCGKSA-N 324.405 4.811 30 20 DJED N#Cc1ccccc1Oc1ccc(NC(=O)CCC2CCC2)cc1 1351447433 BKRGGZSBNKUOEN-UHFFFAOYSA-N 320.392 4.869 30 20 DJED CN(C(=O)c1ccc(C#N)s1)c1ccccc1-c1ccccc1 1358288721 YJWGXIPFLKUKTB-UHFFFAOYSA-N 318.401 4.563 30 20 DJED C[C@@H](CCC#N)N1CCC[C@H](Cc2csc3ccccc23)C1 1459899886 VUYWHRXYQHPFTE-JKSUJKDBSA-N 312.482 4.848 30 20 DJED N#Cc1cc(F)ccc1CN1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 1460010807 LABDDDVLNNLSCU-NHCUHLMSSA-N 318.395 4.518 30 20 DJED COc1cc(CNc2cccc(C#N)c2C)cc2ccccc12 1461537062 CWMRHLNIXXTYIA-UHFFFAOYSA-N 302.377 4.641 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NC/C=C\c1ccc(F)c(F)c1 1461584357 ITBVSBFXYJQJIF-YNZYUUBUSA-N 324.374 4.517 30 20 DJED Cc1ccc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)c(Cl)c1 1461771319 YRSRCUUVDQHCKW-UHFFFAOYSA-N 324.811 4.719 30 20 DJED Cc1cc(Cl)cc(C)c1CN[C@H]1CCCc2cc(C#N)ccc21 1474185444 RMLQSMRAHLKWDW-FQEVSTJZSA-N 324.855 4.996 30 20 DJED C[C@@H](CCC#N)CN(Cc1ccccc1C(F)(F)F)C1CC1 1474414874 NYSQOJSBWIXKSZ-ZDUSSCGKSA-N 310.363 4.610 30 20 DJED CC[C@@H](C(=O)Nc1cc2ccccc2cc1C#N)c1ccccc1 1528323709 XAFXGOSVGRTGHI-LJQANCHMSA-N 314.388 4.844 30 20 DJED CC[C@H](OC(=O)[C@H](C)Cc1ccc(C#N)cc1)c1ccc(C)cc1 1537839335 ZBLOIGIAJWVTDY-UZLBHIALSA-N 321.420 4.740 30 20 DJED Cc1ccc(C(=O)N(C)[C@H](C)CC#N)c(Sc2ccccc2)c1 1540239778 MZDOJSMADOLQKG-OAHLLOKOSA-N 324.449 4.520 30 20 DJED Cc1ccccc1CCC(=O)Nc1cc2ccccc2cc1C#N 1583717438 NHAHWBFNQKQXEP-UHFFFAOYSA-N 314.388 4.591 30 20 DJED Cc1ccc(CC(C)(C)Nc2nc(C(C)(C)C)ccc2C#N)cc1 1612504678 FPOZYELPEHMJQJ-UHFFFAOYSA-N 321.468 4.992 30 20 DJED CC[C@@H](C)c1ccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 1625935245 QRGVWVAWJHYKFE-CABCVRRESA-N 306.409 4.563 30 20 DJED CC[C@@H](C)Oc1ccc(Nc2nc(Cl)c(C#N)s2)cc1 1639335819 LWTCXNGUUIMXMO-SECBINFHSA-N 307.806 4.589 30 20 DJED CCCCN(CCOc1cccc(C#N)c1)[C@H]1CCC[C@H](C)C1 1643245078 CTGZFSIRRBHZQB-HKUYNNGSSA-N 314.473 4.618 30 20 DJED CCC(C)(C)c1ccc(COc2ccc(C#N)cc2OC)cc1 1643361895 XLRJTQPNOLNYIM-UHFFFAOYSA-N 309.409 4.833 30 20 DJED Cc1cc(C)c(N[C@@H](C)CC(C)(C)C#N)cc1Br 1652245473 YAQYLPAMGZYMIX-LBPRGKRZSA-N 309.251 4.806 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 1658351424 OZENGBMGUGNDNA-WCZJQEMASA-N 302.849 4.648 30 20 DJED CC[C@@H](NC(=O)Nc1cccc(C#N)c1C)c1cc(C)ccc1C 1659837547 IENXKFMYPYFYOK-GOSISDBHSA-N 321.424 4.756 30 20 DJED CC(C)(CC#N)CN[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 1664967212 WZSGBPUFMCFHJF-RDJZCZTQSA-N 304.865 4.896 30 20 DJED CCCCCCCC[C@@H](C)C(=O)N(C)c1ccccc1C(=O)O 1776786802 OLJYKQYMTHMWRA-OAHLLOKOSA-N 319.445 4.734 30 20 DJED Cc1c(C(=O)Nc2ccc(CC#N)cc2)sc2ccc(F)cc12 64707937 NHCZVVYKTAUTLE-UHFFFAOYSA-N 324.380 4.667 30 20 DJED CC[C@H](C#N)Oc1cccc(CNCc2cc(C)c(C)cc2C)c1 73012539 GCOWKBYYSUZHJB-HXUWFJFHSA-N 322.452 4.583 30 20 DJED O=C(/C=C/c1cccc(-c2cccnc2)c1)c1cccc(F)c1F 182723724 DJERDTSTCXKBKO-MDZDMXLPSA-N 321.326 4.923 30 20 DJED N#C[C@@H](C(=O)c1ccc(C2CCC2)cc1)c1nc2ccccc2o1 192202316 BPQGIQNKVHBITF-INIZCTEOSA-N 316.360 4.585 30 20 DJED N#CCCCCNCc1ccc(-c2ccc(Cl)cc2)s1 237772342 ISPKLRWMKPPROZ-UHFFFAOYSA-N 304.846 4.852 30 20 DJED C=CCN(CC=C)C(=O)Nc1ccc(Oc2ccccc2)cc1 242832175 FRALVFTZSRYKPK-UHFFFAOYSA-N 308.381 4.685 30 20 DJED Cc1cc(C)c(NC(=O)c2ccc(C(C)(C)C#N)cc2)c(C)c1 280028152 VVTSYLUBBLIYIF-UHFFFAOYSA-N 306.409 4.665 30 20 DJED CC(C)(C)c1ccc([C@@H]2CCCN2c2ncccc2C#N)cc1 301060946 DMAMVRMPJPOLEC-SFHVURJKSA-N 305.425 4.592 30 20 DJED C[C@@H](Nc1ncccc1C#N)c1ccc(Cl)c2ccccc12 302157564 FPJZGFSAJDRFQN-GFCCVEGCSA-N 307.784 4.933 30 20 DJED CC(C)(C)c1ncc(/C=C/C(=O)c2ccc(Cl)cc2)s1 303750761 HSVQHEXNCQMTJN-CMDGGOBGSA-N 305.830 4.990 30 20 DJED C[C@@H]1CCC[C@H](C/N=C(/O)c2ccc3c(c2)N=C(O)C3(C)C)C1 328866223 WPODNDSKPSFIKV-OLZOCXBDSA-N 314.429 4.697 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCCC[C@H]1C 424657455 DYKFUTSJAUTYIG-KFWWJZLASA-N 316.470 4.703 30 20 DJED Cc1ccc(CCCC(=O)Nc2ccc(Cl)c(C#N)c2)s1 429961337 DZDVBJCLOZCIFO-UHFFFAOYSA-N 318.829 4.543 30 20 DJED C[C@H]1CCc2c(F)cccc2[C@@H]1NC1CCC(C)(C#N)CC1 449176814 NRSUJEFHSBZGBV-VKFAAQBISA-N 300.421 4.511 30 20 DJED Cc1ccccc1[C@H](NC(=O)CCCC#N)[C@H]1CCC[C@@H](C)C1 462076135 STFGTWQDABFXLD-OXFYSEKESA-N 312.457 4.673 30 20 DJED CCCCSc1ccc(Cl)cc1C(=O)N[C@@H](C#N)C(C)C 464309011 VGJJXKJYRYMQEU-AWEZNQCLSA-N 324.877 4.510 30 20 DJED C=C[C@@](C)(CC)C(=O)N(CC)Cc1cccc(-c2ccncc2)c1 468010591 ZRJIHANWMFXPJI-NRFANRHFSA-N 322.452 4.699 30 20 DJED C[C@H](NCC1(c2ccccc2Cl)CC1)c1ccc(C#N)cc1 478772544 FLBQIBFSWIZPNJ-AWEZNQCLSA-N 310.828 4.594 30 20 DJED CC(C)(C#N)CCCN1CC=C(c2cccc(Cl)c2)CC1 481750656 QJSMETZZBXNMHM-UHFFFAOYSA-N 302.849 4.759 30 20 DJED CCOc1cccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)c1 481925024 URNKRDVNSSGADB-OAQYLSRUSA-N 320.436 4.514 30 20 DJED C=CCCC1(C(=O)Nc2cc(Cl)c(Cl)cc2OC)CC1 484087111 QEDWAODSEOHJJW-UHFFFAOYSA-N 314.212 4.687 30 20 DJED C=CCOc1ccc(C(=O)Nc2c(CC)cc(C)cc2CC)cc1 484872689 RGUMFIBFONRECD-UHFFFAOYSA-N 323.436 4.937 30 20 DJED CC(=O)c1ccc(C)cc1OCc1ccccc1C(C)(C)C#N 486929145 UYMHXGYTACTPJC-UHFFFAOYSA-N 307.393 4.578 30 20 DJED C=CC[C@@H](C(=O)N(C)c1nc2ccccc2s1)c1ccccc1 487557634 XFCIZAWTUFJRMF-OAHLLOKOSA-N 322.433 4.619 30 20 DJED Cc1cnc(CNc2ccc(Oc3ccccc3)c(C#N)c2)s1 488129079 SYPJSWFOZZQSGG-UHFFFAOYSA-N 321.405 4.728 30 20 DJED C=CC[C@H](C(=O)N[C@H](C)c1cccc(OCC)c1)c1ccccc1 488711947 PEIVDDGTZWLFEM-UZLBHIALSA-N 323.436 4.622 30 20 DJED C=CCOc1cccc(NC(=O)[C@H](CC=C)c2ccccc2)c1 488723567 WTNAOGMDOFDDKD-LJQANCHMSA-N 307.393 4.550 30 20 DJED Cc1ccc(-c2nc(CNc3ccccc3C#N)cs2)cc1 499703339 UTJHJBXPCSHLSY-UHFFFAOYSA-N 305.406 4.602 30 20 DJED C=C(C)CN(CC)C(=O)N[C@@H](c1ccccc1)C(CC)CC 503372047 IONFYJMAXJQPIL-GOSISDBHSA-N 302.462 4.772 30 20 DJED CCN(C(=O)[C@H]1CCCC(C)(C)C1)[C@H](C)c1ccc(C#N)cc1 534388198 PGDTVWXYAPCOFQ-QAPCUYQASA-N 312.457 4.684 30 20 DJED C=C[C@H](CC(=O)N1CCc2cccc(F)c2[C@H]1C)c1ccccc1 535397415 UKHXNPZDMLUVRD-HZPDHXFCSA-N 323.411 4.631 30 20 DJED CC(C)(CCC#N)CN(CCc1cccc(F)c1)C1CCCC1 537705180 GNZXYXRGVHDIDJ-UHFFFAOYSA-N 316.464 4.943 30 20 DJED CC(C)c1noc(-c2cccc(Oc3ccc(C#N)cc3)c2)n1 544933906 CASGWBMQMAEMDG-UHFFFAOYSA-N 305.337 4.524 30 20 DJED C[C@H]1CCCN(c2ccccc2OCc2ccc(C#N)cc2F)C1 553761197 PUBRRMALRLVWCX-HNNXBMFYSA-N 324.399 4.513 30 20 DJED CC(C)(CCC#N)CN[C@H](c1ccccc1)c1ccc(F)cc1 554065414 XNRXYSBUXQSFLA-LJQANCHMSA-N 310.416 4.835 30 20 DJED CCN(Cc1ccc(C(C)C)nc1C)[C@H](C)c1ccc(C#N)cc1 569507112 GGARDRLFIJXNTH-QGZVFWFLSA-N 321.468 4.968 30 20 DJED C/C(=C\c1ccccc1OC(F)F)CNCC(C)(C)CCC#N 581280174 PMVMETHTABEJGG-SDNWHVSQSA-N 322.399 4.611 30 20 DJED Cc1ccc2sc(C(=O)N[C@@H](C)c3ccc(C#N)cc3)cc2c1 582455511 XONDIUBNXPFEMY-ZDUSSCGKSA-N 320.417 4.572 30 20 DJED CSc1ccccc1C(=O)/C=C\c1ccc(O[C@@H](C)C#N)cc1 588617969 MIWKTXIFDCRSBY-UQTJOTSZSA-N 323.417 4.595 30 20 DJED N#CCCCCCC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 588691203 WENKXYXRVIAESL-XUVXKRRUSA-N 324.468 4.645 30 20 DJED CCC(CC)[C@@H](NC(=O)CCCCCC#N)c1ccccc1 588871226 OGQXYUVYDVPZKI-LJQANCHMSA-N 300.446 4.754 30 20 DJED COc1ccc([C@H](NCCCC(C)(C)C#N)c2ccccc2)cc1 594714689 CAVKKYYOUXIVHB-HXUWFJFHSA-N 322.452 4.704 30 20 DJED COCc1ccc(SCc2ccc(Cl)cc2C#N)cc1 614083928 NEDVPVYGPYOLHW-UHFFFAOYSA-N 303.814 4.650 30 20 DJED COc1ccccc1[C@@H](CC(C)C)NCc1ccc(C#N)cc1C 614406860 CNTBWYOOZPOWPQ-HXUWFJFHSA-N 322.452 4.752 30 20 DJED COc1ccccc1[C@H]1CCCCN1CCCCC(C)(C)C#N 618279987 NNNXKUZRUSGVKV-GOSISDBHSA-N 314.473 4.942 30 20 DJED C=C(C)C[C@@H](C)c1nc(Cc2cn(C)c3cc(C)ccc23)no1 685375752 KVNPXEZRYVKKEP-CQSZACIVSA-N 309.413 4.530 30 20 DJED CC(C)(C)Sc1ccc(N=Cc2cccc(O)c2O)cc1 726739773 JFYBWCKPURJNKZ-UHFFFAOYSA-N 301.411 4.739 30 20 DJED O=C1/C(=C\C2=Cc3ccccc3OC2)CSc2ccc(F)cc21 749357508 HHESPRMCHNMNKC-ZSOIEALJSA-N 324.376 4.517 30 20 DJED CC(C)[C@@H](C#N)OC(=O)c1cc(-c2ccccc2)ccc1Cl 751156971 ABBCBPOFUJOHMB-QGZVFWFLSA-N 313.784 4.712 30 20 DJED C#Cc1cccc(NC(=O)c2cc(Cl)ccc2SCC)c1 752283028 PINBYNFOHSYESB-UHFFFAOYSA-N 315.825 4.686 30 20 DJED Cc1cc(C(=O)/C=C\c2ccc(Cl)nc2Cl)c(C)s1 761476744 KCEJXWPKSUGJSI-HYXAFXHYSA-N 312.221 4.963 30 20 DJED O=C(/C=C\c1ccc(Cl)nc1Cl)c1csc(Cl)c1 761484671 AFXMQCLKMAKUOD-IWQZZHSRSA-N 318.612 4.999 30 20 DJED CC(=NNc1c(C)cccc1F)c1ccc([N+](=O)[O-])cc1Cl 769839717 GDOQNXMMPAGKQO-UHFFFAOYSA-N 321.739 4.532 30 20 DJED CCC[C@@H](NCc1cc(C#N)ccc1F)c1ccc(Cl)cc1 773030152 LKUDUVRDSAEWAO-GOSISDBHSA-N 316.807 4.982 30 20 DJED CC(CC(C)(C)c1ccccc1)=NNc1nccnc1C(C)C 773079064 SRALXTQZPNUFGG-UHFFFAOYSA-N 310.445 4.756 30 20 DJED CC(C)(C)C[C@@H](/N=C\c1cc2ccccc2nc1O)C(F)(F)F 777873035 GHSCJSWEZYYWJI-YYLUKMIBSA-N 324.346 4.726 30 20 DJED C#CCCCCCC(=O)Nc1cc(C(C)(C)C)ccc1OC 779715609 MYZZCEDZVAZJLB-UHFFFAOYSA-N 301.430 4.515 30 20 DJED Cc1cc(/C=C\C(=O)c2c[nH]c3ccccc23)cc2cccnc12 783705367 JDVPLFPJSPRPDE-HJWRWDBZSA-N 312.372 4.921 30 20 DJED C#CCC1(C(=O)N[C@@H](C)c2cc3ccccc3o2)CCCCC1 788258385 RIDBGIRDCHHDTQ-HNNXBMFYSA-N 309.409 4.584 30 20 DJED O=C1/C(=C\c2ccc(C(F)(F)F)cc2)Cc2nc(Cl)ccc21 806577460 RIQBRQGPMUZDOR-YFHOEESVSA-N 323.701 4.576 30 20 DJED CC[C@@H](C#N)Oc1cccc(CNCc2ccc(C3CC3)cc2)c1 838958525 PFMFOHPOJFPIFT-FQEVSTJZSA-N 320.436 4.535 30 20 DJED C#Cc1cccc(NCc2cc(Cl)cc(Br)c2)c1 864001543 MMWOZFKXVUEDJG-UHFFFAOYSA-N 320.617 4.696 30 20 DJED CCCC[C@@](C)(F)C(=O)N(O)Cc1cc(Cl)cc(Cl)c1 901378130 CSWHUUKCNMLQGC-CQSZACIVSA-N 322.207 4.630 30 20 DJED CC(=NNc1ccccc1F)c1sc(C(C)(C)C)nc1C 915111274 FRJCBWAEEIFGNX-UHFFFAOYSA-N 305.422 4.724 30 20 DJED CC(CCC(C)C)=NNc1ncc(C(F)(F)F)cc1Cl 916286660 MYTSWWXDMWIFFZ-UHFFFAOYSA-N 307.747 4.978 30 20 DJED CC(C)c1ccc([C@@H](NCCCCC#N)c2cccnc2)cc1 924942871 QHEZWMCSRCLSTF-HXUWFJFHSA-N 307.441 4.578 30 20 DJED CC(C)c1ccc([C@H](N[C@@H]2CC[C@H](C#N)C2)c2cccnc2)cc1 926614126 HIUHXDHCDLDZKH-DQLDELGASA-N 319.452 4.576 30 20 DJED CCc1c(C)sc(NC(=O)C2CCC(C)(C)CC2)c1C#N 1125780851 XSDWNEGWZGYNME-UHFFFAOYSA-N 304.459 4.646 30 20 DJED N#Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 1131135003 UFNRPWZKWXCHAR-APHBMKBZSA-N 316.832 4.757 30 20 DJED N#Cc1cccc(C#N)c1N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 1163519229 BFHNGSWPQRQDNP-KSSFIOAISA-N 321.811 4.832 30 20 DJED CC[C@H]1CCCC[C@H]1N(C)Cc1cc(Cl)ccc1OCC#N 1169331646 JZDXUDFYZFLHKA-WMLDXEAASA-N 320.864 4.643 30 20 DJED COc1ccc(C#N)cc1N[C@H](C)CCc1ccc(Cl)s1 1205348174 YLMDJNNSDFXZEB-LLVKDONJSA-N 320.845 4.715 30 20 DJED CC[C@@H](C)CCNC(=O)c1ccccc1Oc1ccccc1C#N 1278643427 AKOTZDNKCYOMFC-OAHLLOKOSA-N 322.408 4.517 30 20 DJED CC[C@H](CC1CCCC1)C(=O)Nc1ccc(Cl)cc1C#N 1279077510 MLWJGGHFGNJPCV-CYBMUJFWSA-N 304.821 4.757 30 20 DJED CCc1oc2ccccc2c1C(=O)N[C@@](C)(C#N)C1CCCCC1 1319593246 MVYMAKBQVFHLLQ-FQEVSTJZSA-N 324.424 4.588 30 20 DJED CC(C)(C)c1ccc(NN=C2CCC[C@H]2Cc2ccccc2)nn1 1339230538 KXJRSPRXAWLDKP-INIZCTEOSA-N 322.456 4.585 30 20 DJED CC[C@H](NC1(c2ccccc2OC)CCC1)c1ccc(C#N)cc1 1339277044 VLXVQZCPLJOEPL-IBGZPJMESA-N 320.436 4.687 30 20 DJED CC[C@@H](C)c1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1 1457188375 AKOFDZMTBQHBHS-CABCVRRESA-N 307.393 4.990 30 20 DJED N#Cc1nc(N[C@@H](C2CCCCC2)C2CCC2)ccc1Cl 1458455367 QBBFDSLTPQHDQQ-KRWDZBQOSA-N 303.837 4.768 30 20 DJED Cc1ccccc1[C@@H]1C[C@H](C)N(Cc2ccc(Cl)cc2C#N)C1 1459532751 VORXOSVBDNXLQT-MAUKXSAKSA-N 324.855 4.898 30 20 DJED N#Cc1ccccc1-c1ccc(CN2CC[C@@H](C3CCC3)C2)cc1 1460240379 IWWJKJWETKVSQY-OAQYLSRUSA-N 316.448 4.847 30 20 DJED CC(C)C[C@@H]1CCCCCN1C(=O)Nc1cc(C#N)ccc1F 1476715392 UXWUDSLXWYTCAN-HNNXBMFYSA-N 317.408 4.520 30 20 DJED CC1=C(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)CCC1 1527165284 SHGUJAACZQJEPQ-ZYHUDNBSSA-N 314.454 4.744 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(C(C)C)c1 1528316313 JYJZGQXHRNGMJV-UHFFFAOYSA-N 322.408 4.721 30 20 DJED CC[C@@H](C#N)N(C)C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 1530452014 MWKVMDXRMCMJST-INIZCTEOSA-N 324.424 4.618 30 20 DJED CC(C)(C)[C@H]1CN(C(=O)C2(C#N)CCCCC2)c2ccccc21 1530839083 IDODDYKACXNPSA-INIZCTEOSA-N 310.441 4.637 30 20 DJED C[C@@H](OC(=O)Cc1cccc2ccccc12)c1cccc(C#N)c1 1534850278 XEURHHIRMDOHTA-OAHLLOKOSA-N 315.372 4.558 30 20 DJED Cc1oc(C#N)cc1C(=O)N(C(C)C)[C@H](c1ccccc1)C(C)C 1539384586 BAJFTPNEXHVNSM-IBGZPJMESA-N 324.424 4.708 30 20 DJED CCCOc1ccccc1[C@H](CC(C)C)Nc1ccc(C#N)cn1 1559129029 OUEWTHONCGPHOJ-SFHVURJKSA-N 323.440 4.941 30 20 DJED CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)c1ccc(F)c(C)c1 1597210571 HJQYVNUNSOFDHI-UHFFFAOYSA-N 324.399 4.602 30 20 DJED Cc1ccc(-c2ccccc2CNCC2(CC#N)CC2)c(C)c1 1620920070 YZJZYXVIJJPGIP-UHFFFAOYSA-N 304.437 4.754 30 20 DJED Cc1c(Cl)cnc(N2CC(C)(C)[C@@H]2c2ccccc2)c1C#N 1651427014 JWVCDJYXWFMPSL-INIZCTEOSA-N 311.816 4.503 30 20 DJED CCOc1cccc(Cl)c1CSc1ccc(C#N)cc1 1652612420 DSNSMKULEYBQBH-UHFFFAOYSA-N 303.814 4.903 30 20 DJED CCC1(CC)CCCN(C(=O)Nc2cc(C#N)ccc2C)CC1 1659653620 IQFGEWSMRKFZMV-UHFFFAOYSA-N 313.445 4.691 30 20 DJED C[C@H](N(C)C(=O)Nc1scc(C(C)(C)C)c1C#N)C1(C)CC1 1670294173 IQIKZZLRMHLZAD-NSHDSACASA-N 319.474 4.570 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC[C@H]1CCC(C)C 1675079531 BIHCBSVINUSBOL-DLBZAZTESA-N 313.445 4.593 30 20 DJED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(C#N)cc1Cl 1675376850 IOMIPAMSZWKYBA-TZMCWYRMSA-N 319.836 4.548 30 20 DJED CC(C)Oc1cccc(CNc2ccc(C#N)c(Cl)c2)c1 40640226 VSFQLNQYYZLTFE-UHFFFAOYSA-N 300.789 4.611 30 20 DJED C=CCCC(=O)N(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 102226212 WWAILBWMQDEBQK-LBPRGKRZSA-N 311.347 4.724 30 20 DJED CO[C@H](C)c1nc(CSc2ccc(C#N)cc2Cl)cs1 163290977 PAFFMIODIZRCKH-SECBINFHSA-N 324.858 4.668 30 20 DJED C[C@@H](N[C@@H]1CCSc2ccc(F)cc21)c1ccc(C#N)cc1 192737837 BMZPTLYEXXSECS-SJKOYZFVSA-N 312.413 4.585 30 20 DJED C[C@H](N[C@@H]1CCSc2ccc(F)cc21)c1cccc(C#N)c1 192982144 CUAQPWMYILKHML-YVEFUNNKSA-N 312.413 4.585 30 20 DJED COc1ccccc1/C=C\C(=O)c1sc(C(C)(C)C)nc1C 212699199 RERGZFXUKGWFPN-KHPPLWFESA-N 315.438 4.654 30 20 DJED Cc1ccsc1C(=O)/C=C\c1ccc(N2CCCCC2)cc1 218660232 YNUOTPDVCANPPV-YFHOEESVSA-N 311.450 4.943 30 20 DJED N#Cc1ccc(CNc2cc(Cl)c(F)c(Cl)c2)s1 232026354 IDJAEZIBIICEMC-UHFFFAOYSA-N 301.173 4.678 30 20 DJED C#CCCOc1ccc(CN[C@H](c2ccccc2)C(C)C)cc1 236789620 LCWHBBUBRZFLSL-NRFANRHFSA-N 307.437 4.576 30 20 DJED C#Cc1cccc(NC(=O)c2ccccc2Oc2ccccc2)c1 252003458 NOFZQVRNWSPVQR-UHFFFAOYSA-N 313.356 4.713 30 20 DJED CCCc1cccc(C(C)C)c1NC(=O)c1cc(C#N)oc1C 281022608 MJGGLVVCTMOESJ-UHFFFAOYSA-N 310.397 4.788 30 20 DJED N#Cc1cc(F)c(N[C@@H]2CCSc3c(F)cccc32)c(F)c1 301118469 PMPAXIHACOPKAJ-CQSZACIVSA-N 320.339 4.625 30 20 DJED CCc1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1C 354943419 RJFLUHJYOZKXRX-IBGZPJMESA-N 321.424 4.724 30 20 DJED CC(C)(C#N)CCC[S@](=O)Cc1cc(Cl)sc1Cl 417230192 YNZLNQJKPXLJAK-SFHVURJKSA-N 324.298 4.634 30 20 DJED C[C@@H](CC(C)(C)c1c[nH]c2ccccc12)N[C@@H]1CC[C@H](C#N)C1 424330535 QYZSPTZRWYYLRT-HRCADAONSA-N 309.457 4.506 30 20 DJED C=CC(C)(C)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C 450116926 RLXGLRXTEKZBCO-HNNXBMFYSA-N 300.446 4.525 30 20 DJED C=CCOCCCSCc1csc(-c2ccc(F)cc2)n1 479616216 SIGBLYMFNFUUMV-UHFFFAOYSA-N 323.458 4.775 30 20 DJED C=CCC(C)(C)C(=O)Nc1ccc(Sc2ccncc2)cc1 483825705 WBQWGYIJEIBBDA-UHFFFAOYSA-N 312.438 4.774 30 20 DJED C=CCC[C@H](C(=O)Nc1ccc(N(C)C)cc1C)c1ccccc1 488629031 ZJDNGTYHKHCQCQ-IBGZPJMESA-N 322.452 4.750 30 20 DJED C=CCN(Cc1cccs1)C(=O)CC(C)(C)c1ccccc1 493740390 IMRRCFSAMARIAL-UHFFFAOYSA-N 313.466 4.631 30 20 DJED Cc1c(C(=O)N(C)CC(C)(C)C#N)oc2c1ccc1ccccc12 497441150 PBXAMTRRNSOCFW-UHFFFAOYSA-N 320.392 4.516 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 535451034 MPVFPTRRFQSEMZ-AWEZNQCLSA-N 310.784 4.510 30 20 DJED CC[C@H](C)Oc1cc(C)ccc1CN[C@H](C)c1cccc(C#N)c1 537295961 PNHCKCJYGSHTDF-DLBZAZTESA-N 322.452 4.895 30 20 DJED C=CCC(C)(C)c1noc(-c2nc(-c3ccccc3)oc2C)n1 560014473 ZENOEFGMOCFBBH-UHFFFAOYSA-N 309.369 4.554 30 20 DJED Cc1ccc([C@H](N[C@@H]2CCc3ccc(C#N)cc32)C2CC2)cc1 574561444 HAWNHSCDAYOGQC-RTWAWAEBSA-N 302.421 4.595 30 20 DJED Cc1cc(F)ccc1-c1ccc(CN2CCC[C@H](CC#N)C2)o1 597172533 CDYPNUUUQFBARS-OAHLLOKOSA-N 312.388 4.520 30 20 DJED N#CC1(CC(=O)N2CC3(CCC3)[C@H]2c2ccccc2)CCCCC1 597695028 ODUGJVCCACDSJN-LJQANCHMSA-N 322.452 4.604 30 20 DJED CCC[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604461418 XPYCHAATCFYFRQ-AWEZNQCLSA-N 323.396 4.661 30 20 DJED N#C[C@H](NCC(c1ccccc1)c1ccccc1)C1CCCCC1 609677302 WTVXSVYCDGGBDF-QFIPXVFZSA-N 318.464 4.881 30 20 DJED C[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1cccc(C#N)c1 619508399 OYPJOXHGRNWTOK-VFNWGFHPSA-N 315.420 4.548 30 20 DJED C[C@H](OC(=O)c1[nH]c2ccccc2c1Cl)c1cccc(C#N)c1 727636132 HCQFTDTYRNSXRQ-NSHDSACASA-N 324.767 4.611 30 20 DJED CC(C)c1ccc(COC(=O)c2ccc(C#N)cn2)c(C(C)C)c1 730895563 MBSUOHIHSGOZNL-UHFFFAOYSA-N 322.408 4.557 30 20 DJED CC(=NNc1ccc(F)cn1)c1ccc(-c2cccs2)cc1 731321836 QSYNTFXVDDYACL-UHFFFAOYSA-N 311.385 4.785 30 20 DJED CCOc1ccc(C=Nc2cccc(CSCC)c2)c(O)c1 741466339 NGZKTRYPEBYQRZ-UHFFFAOYSA-N 315.438 4.795 30 20 DJED COCc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1 742429051 FWWQUFXAMDXSRV-FMIVXFBMSA-N 302.373 4.882 30 20 DJED O=C1/C(=C/C=C\c2ccccc2[N+](=O)[O-])CCCc2ccccc21 750900940 RXURITAMTLKOTG-LROUVQFUSA-N 319.360 4.754 30 20 DJED CSc1ccc(C)c(C(=O)OCCCCC(C)(C)C#N)c1 768544826 YHJXEMKMVMQMRX-UHFFFAOYSA-N 305.443 4.594 30 20 DJED CC(C)Nc1cc(F)ccc1NCc1ccc(Cl)cc1C#N 774294696 AGAJTNGFWDNBJI-UHFFFAOYSA-N 317.795 4.783 30 20 DJED Clc1ccnc(NN=Cc2c(Cl)oc3ccccc23)c1 777905667 NHNYQQYKNVTQNT-UHFFFAOYSA-N 306.152 4.581 30 20 DJED O=C1/C(=C\c2ccsc2Cl)CCOc2ccc(F)cc21 790216167 SYZCFLPDKVALKB-CLFYSBASSA-N 308.761 4.589 30 20 DJED CCc1ccc(N(CC(C)C)C(=O)c2ccc(CC#N)cc2)cc1 794125519 DRNOMMAUERLGBW-UHFFFAOYSA-N 320.436 4.618 30 20 DJED CC(Cc1cccc(C(F)(F)F)c1)=NOCCC(F)(F)F 799113111 IMVSYPCYPQLLKA-UHFFFAOYSA-N 313.241 4.593 30 20 DJED Fc1cc(F)cc(C2CC(=NNc3c(F)cccc3F)C2)c1 814852656 JNUGPNRGEYRSIZ-UHFFFAOYSA-N 308.278 4.589 30 20 DJED CC(CCCc1cccnc1)=NNc1nc2ccccc2cc1C 834971163 VMRUBIBHQCZEMZ-UHFFFAOYSA-N 318.424 4.749 30 20 DJED CCCCCCCC(=O)Nc1ccc(NC(C)=O)c(Cl)c1 886880644 XSWDYWCUNARYNQ-UHFFFAOYSA-N 310.825 4.597 30 20 DJED Oc1ccccc1/C=N\CCOc1ccccc1-c1ccccc1 920991159 PZNDTNAZJRSUPN-JWGURIENSA-N 317.388 4.557 30 20 DJED C[C@H](NCc1cccc(OCC#N)c1)c1cc2ccccc2s1 1116721370 HIKRHFXZSDQVRK-AWEZNQCLSA-N 322.433 4.654 30 20 DJED Cc1nsc(Nc2ccc(SC(C)(C)C)cc2)c1C#N 1185156947 CZCAVQOWTCXUEO-UHFFFAOYSA-N 303.456 4.957 30 20 DJED N#Cc1ccc(Nc2cccc(-c3nc4ccccc4o3)c2)nc1 1187852727 VGWRVCACAYHTIP-UHFFFAOYSA-N 312.332 4.505 30 20 DJED CC(C)(CC#N)CNCc1cccc(Oc2ccc(F)cc2)c1 1202759520 FLRNYOXWTYGMBP-UHFFFAOYSA-N 312.388 4.647 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)[C@H](C)c1nccc2ccccc12 1206376235 DGGMUESACMSGOQ-JKSUJKDBSA-N 315.420 4.860 30 20 DJED Cc1ccccc1[C@@H]1C[C@H](C)N([C@H](C)c2cccc(C#N)c2)C1 1307487552 BHPMGEBSYHOIAJ-SQGPQFPESA-N 304.437 4.806 30 20 DJED N#CCc1ccc(CN2C[C@H](c3ccccc3)c3ccccc32)cc1 1307730518 QIEDIDPRAXMPDA-JOCHJYFZSA-N 324.427 4.905 30 20 DJED CC(C)(C)c1cnc([C@@H](C#N)C(=O)C23CCC(CC2)CC3)s1 1343475257 YHFYZHZCJKFXEK-XYEKJYRLSA-N 316.470 4.587 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)c1ccc2c(c1)CCC=C2 1460849809 KENIDXUOEYIMFY-UHFFFAOYSA-N 324.383 4.923 30 20 DJED Cc1nc(S[C@@H](C#N)C2CCCCC2)[nH]c1-c1ccccc1 1473020449 ZOVXPJLKMFYELL-INIZCTEOSA-N 311.454 4.950 30 20 DJED CCC(CC)Oc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 1523228895 ISBVOTNQNNCROQ-UHFFFAOYSA-N 322.408 4.572 30 20 DJED CCCc1ccc(CCCC(=O)Nc2cc(C#N)ccc2F)cc1 1525019119 QOFHGPQXJVOWMM-UHFFFAOYSA-N 324.399 4.611 30 20 DJED N#CC1(C(=O)NC[C@H]2CCCC[C@H]2c2ccccc2)CCCCC1 1525817004 UHJMWBHFMFUISH-MOPGFXCFSA-N 324.468 4.551 30 20 DJED CCc1c(C)sc(NC(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)c1C#N 1527988554 SMAQMMAVUOHWSK-DMDPSCGWSA-N 304.459 4.501 30 20 DJED CC(C)(C)CN(CCC#N)C(=O)CCc1cccc2ccccc12 1528621109 NNJAZFGZTORTPP-UHFFFAOYSA-N 322.452 4.561 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2cc3cccc(C)c3s2)c1 1535892673 AXPKTEBLRZUZAD-UHFFFAOYSA-N 306.390 4.642 30 20 DJED CCC(C)(C)C(=O)OCc1ccccc1Oc1ccccc1C#N 1544686390 LXPWGNHWPPVTEV-UHFFFAOYSA-N 323.392 4.830 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C 1623179671 QVZWJAXUMRBGQB-NVXWUHKLSA-N 313.445 4.545 30 20 DJED COc1ccccc1[C@@H](C)SCc1cc(F)ccc1C#N 1640941920 QMENOGVLTJAVOM-GFCCVEGCSA-N 301.386 4.700 30 20 DJED Cc1ccc2sc(S[C@H](C#N)Cc3ccccc3)nc2c1 1644240627 PHLCLDGXVYPWCI-AWEZNQCLSA-N 310.447 4.832 30 20 DJED N#Cc1ccc(CN2CC3(CCCC3)c3c(F)cccc32)c(F)c1 1652153713 WLDJEUNATMXREX-UHFFFAOYSA-N 324.374 4.668 30 20 DJED C[C@@H](c1ccccc1)N(Cc1ccccc1)CC1(CC#N)CC1 1653706539 KUVCJRVTDXDLGF-SFHVURJKSA-N 304.437 4.944 30 20 DJED C[C@@H](Cc1ccc2ccccc2n1)Sc1cccc(C#N)c1 1656325966 BCKPTVVSGUAJQD-AWEZNQCLSA-N 304.418 4.830 30 20 DJED CC(CCCCCCC(=O)O)=NNc1c(C)cccc1Cl 1776060838 RNRRAZKQLBKENY-UHFFFAOYSA-N 310.825 4.861 30 20 DJED CC(C)Cc1cccc(C(=O)/C=C/c2ccc(C(=O)O)s2)c1 1776341523 YKEJYZXBSHINKU-SOFGYWHQSA-N 314.406 4.541 30 20 DJED Cc1ccc(-c2cc(CSCc3ccc(C#N)cc3)on2)cc1 30527255 BDNOZABLRABVRX-UHFFFAOYSA-N 320.417 4.955 30 20 DJED N#Cc1c(F)cccc1N[C@@H]1CCSc2ccc(Cl)cc21 37268922 BPZFCBODNZLQEX-OAHLLOKOSA-N 318.804 5.000 30 20 DJED C[C@@H](C#N)CSc1ccccc1NCc1cnc(Cl)s1 89660331 VBOBPEICEUABCN-JTQLQIEISA-N 323.874 4.660 30 20 DJED Cc1ccc(C(=O)/C=C/c2cccc(OCCCC#N)c2)s1 102598644 ZQKUKPMGADDIPY-CMDGGOBGSA-N 311.406 4.635 30 20 DJED COc1ccc(/C=C/C(=O)c2cccc(C)c2)cc1OC(F)F 104769341 XPVMLNNMMMWVGK-SOFGYWHQSA-N 318.319 4.501 30 20 DJED CC(C)c1ccc([C@H](NC(=O)NCCCCC#N)C(C)C)cc1 170887204 OZKIFXBPXXNQLZ-GOSISDBHSA-N 315.461 4.500 30 20 DJED CC[C@H](CC(=O)[C@H](C#N)c1nc2ccccc2o1)c1ccccc1 171482364 QKBWEXPGGLZJDL-ZBFHGGJFSA-N 318.376 4.588 30 20 DJED C[C@H](C#N)Oc1ccccc1NC(=O)C[C@@H](C)C1CCCCC1 182103224 LRDLRPZIDWNEGF-HUUCEWRRSA-N 314.429 4.522 30 20 DJED C#CCCCC(=O)N(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 192135734 GFCZUTYWXYIKEM-ZDUSSCGKSA-N 323.358 4.561 30 20 DJED CCCCCCCCSc1ccc(S(C)(=O)=O)cc1 196293405 PISIKHGFYRYQDI-UHFFFAOYSA-N 300.489 4.543 30 20 DJED C[C@H](Nc1ccc(F)cc1C#N)c1ccccc1C(F)(F)F 317375763 KNNZUGWANLNWDQ-JTQLQIEISA-N 308.278 4.889 30 20 DJED CC(C)[C@H](/N=C(/O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ncc[nH]1 328719148 GEGBTRZVFARUCJ-JJXSEGSLSA-N 303.450 4.670 30 20 DJED CC1CCC(C/N=C(/O)c2ccc3c(c2)N=C(O)C3(C)C)CC1 328857697 UOKKBPIZOVUHDE-UHFFFAOYSA-N 314.429 4.697 30 20 DJED OC1=NCc2c(N=C(O)[C@@H]3CC[C@H]4CCCC[C@H]4C3)cccc21 329298311 UGEYDBKRQQNPNX-HZSPNIEDSA-N 312.413 4.699 30 20 DJED O/C(CC1CCCCC1)=N/C/C(O)=N\C1CCC2(CC1)CC2 329915992 YQICPBVXRJPKPQ-UHFFFAOYSA-N 306.450 4.593 30 20 DJED C=CCC[C@H](NCc1ncc(C)o1)c1ccc(C(F)(F)F)cc1 342205675 NDFPTDZQOMGQAL-HNNXBMFYSA-N 324.346 4.799 30 20 DJED CCCC[C@@H](C)C(=O)N(Cc1ccco1)c1ccccc1C#N 443492029 NSDYAZUKAJCRJB-OAHLLOKOSA-N 310.397 4.511 30 20 DJED CC(N[C@H]1CCC[C@@H](C#N)C1)(c1ccccc1)c1ccccc1 463245443 CHBVPGVTTYQQLH-XLIONFOSSA-N 304.437 4.622 30 20 DJED CCN(C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)C(C)C 464925927 KXNSSIJNLFUZNM-UHFFFAOYSA-N 322.408 4.530 30 20 DJED C=CCC(CC=C)C(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 467820734 ZXUBQZZUVXICOX-KDOFPFPSSA-N 313.441 4.662 30 20 DJED Cc1ccc(Cl)cc1NC(=O)c1ccc(C(C)(C)C#N)cc1 474099556 YRRLAVUGJRKHRH-UHFFFAOYSA-N 312.800 4.702 30 20 DJED C=CCC1(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)CCC1 478681195 NEXJYFFULBLMHZ-UHFFFAOYSA-N 313.416 4.578 30 20 DJED Cc1cc(CSCc2ncccc2C(F)(F)F)ccc1C#N 485569276 FVGKAYGYBKMATO-UHFFFAOYSA-N 322.355 4.714 30 20 DJED C[C@H](NC(=O)Nc1ccc(C2CCC2)cc1)c1ccc(C#N)cc1 488347671 IMVZMVACPHTUND-AWEZNQCLSA-N 319.408 4.708 30 20 DJED Cc1ccccc1[C@H](C)CC(=O)Nc1ccc(Cl)c(C#N)c1 522539329 SHZDREPVVZRCAV-CYBMUJFWSA-N 312.800 4.652 30 20 DJED CCN(C(=O)[C@@H]1CCCC(C)(C)C1)[C@@H](C)c1ccc(C#N)cc1 534388197 PGDTVWXYAPCOFQ-MAUKXSAKSA-N 312.457 4.684 30 20 DJED C=C[C@H](Cc1nc(-c2ccc(F)c(F)c2)no1)c1ccccc1 534669783 QDWRYPXBYMIMQM-GFCCVEGCSA-N 312.319 4.527 30 20 DJED C=CCC[C@@H](C)NCCc1nc(-c2ccccc2)c(C)s1 541743594 UZDPZKPUKIVYQX-CQSZACIVSA-N 300.471 4.605 30 20 DJED CC[C@@H](CC(F)(F)F)NCc1ccc(F)c(C(F)(F)F)c1 546178831 MJBSVJVGEZVVFH-VIFPVBQESA-N 317.248 4.665 30 20 DJED CC(C)(CCC#N)CN[C@@H](Cc1ccccc1)c1ccccc1 554077856 SRWMXEIONBFJNJ-FQEVSTJZSA-N 306.453 4.890 30 20 DJED CC[C@H](N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(C#N)cc1 557330864 RWXJINRJRRCCSK-IHPCNDPISA-N 308.400 4.684 30 20 DJED C=C(C)C[C@H](C)c1nc(Cc2c[nH]c3ccc(Cl)cc23)no1 570198995 JMOXLBIJEGJYOT-NSHDSACASA-N 315.804 4.865 30 20 DJED N#Cc1ccc2c(c1)[C@H](NCCc1cc3ccccc3s1)CC2 578530723 RAOQZMULYZDJLZ-LJQANCHMSA-N 318.445 4.593 30 20 DJED N#CCCCCCC(=O)Nc1cc(Cl)c(Cl)cc1F 588166048 MBCIXYPYDQELFO-UHFFFAOYSA-N 303.164 4.545 30 20 DJED Cc1cc(F)c(-c2ccc(C3(C#N)CCOCC3)cc2)c(F)c1 596642551 LFPONGHTFFFPIT-UHFFFAOYSA-N 313.347 4.512 30 20 DJED C=CC1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 601077438 CDJPDABHCUIHQI-UHFFFAOYSA-N 322.408 4.909 30 20 DJED CC(=NNc1ccccc1C(F)(F)F)c1sc(C)nc1C 726737795 LDAVVGRQBGDGMU-UHFFFAOYSA-N 313.348 4.615 30 20 DJED C=CCOc1ccc(/C=C/C(=O)c2cccc(C#N)c2)cc1Cl 727267132 OHSMTGQWDGNLBK-SOFGYWHQSA-N 323.779 4.673 30 20 DJED COc1cc(CON=Cc2ccc(Cl)cc2)ccc1SC 731664041 QKYOIFICCQNGOL-UHFFFAOYSA-N 321.829 4.621 30 20 DJED COc1cccc(/C=C/C(=O)c2sccc2C)c1OC(C)C 733749613 QBCHMJJTXZZPIW-CMDGGOBGSA-N 316.422 4.748 30 20 DJED C[C@H](OC(=O)CCc1cc(Cl)cs1)c1cccc(C#N)c1 737332211 WKDUBKXPFRNBSF-NSHDSACASA-N 319.813 4.510 30 20 DJED COc1cc(C(C)=NNc2cc(F)cc(F)c2)ccc1SC 747610917 KFMORDKRCHOKAJ-UHFFFAOYSA-N 322.380 4.531 30 20 DJED O=C(/C=C/c1coc(-c2ccccc2)n1)c1ccccc1Cl 749886370 MAICGUJTTWALMA-ZHACJKMWSA-N 309.752 4.891 30 20 DJED CCOC(=O)Nc1ccc(N[C@@H](CC)c2ccccc2)cc1C#N 752796552 LQDINQFNUGCUCD-KRWDZBQOSA-N 323.396 4.690 30 20 DJED O=C(/C=C/c1nc(Cl)cs1)c1ccc(C(F)(F)F)cc1 759076785 PNTMZUDULXABFU-AATRIKPKSA-N 317.719 4.711 30 20 DJED Fc1cc(F)cc(NN=Cc2csc(Cl)c2Cl)c1 761801650 YBEJIJNIEVBEHB-UHFFFAOYSA-N 307.152 4.779 30 20 DJED Clc1ccnc(NN=Cc2csc(Cl)c2Cl)c1 761834591 STOCWRYBSCEXIQ-UHFFFAOYSA-N 306.605 4.549 30 20 DJED CCCCC[C@@H]1CCCN1Cc1ccc(O[C@H](C)C#N)cc1 770353003 YOXGTMLERYLJAG-SJLPKXTDSA-N 300.446 4.522 30 20 DJED C#CCCCCC(=O)N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C 773451329 KRZOLSBVOZTXHR-LBPRGKRZSA-N 324.251 4.633 30 20 DJED Cc1cc2c(cc1C)C(=O)/C(=C\c1cc(C#N)cs1)CS2 777471957 VETBWQJBHGGBTJ-MLPAPPSSSA-N 311.431 4.609 30 20 DJED N#CCCCOc1cccc(NC[C@@H]2CCc3ccccc32)c1 779738784 YCPNPWRWECVPAW-KRWDZBQOSA-N 306.409 4.511 30 20 DJED C=CCN(C(=O)Nc1ncc(C2CCCCC2)s1)C(C)C 782638142 PENPIHHHPLQMNF-UHFFFAOYSA-N 307.463 4.619 30 20 DJED CCc1noc(C)c1C(C)=NNc1cc(Cl)cc(Cl)c1 790201404 DVQSMRIHVWFHTK-UHFFFAOYSA-N 312.200 4.688 30 20 DJED O=C(/C=C\c1ccnc(Cl)c1Cl)c1ccc(F)c(F)c1 791435259 RFGCLJFUGKHTGC-RQOWECAXSA-N 314.118 4.563 30 20 DJED C#CCN(C)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 801637716 MRXUQYMZUCQUAC-HNNXBMFYSA-N 324.449 4.637 30 20 DJED CC(=NNc1nc2ccccc2s1)c1c(F)cccc1Cl 807943975 UMDVVLKOUAYAIZ-UHFFFAOYSA-N 319.792 4.925 30 20 DJED CC(C)c1ccc(NN=Cc2cnc([C@@H]3CCCO3)s2)cc1 835018531 POWQZXNQROEADF-INIZCTEOSA-N 315.442 4.564 30 20 DJED C=CC(C)(C)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 835069121 XBQYGVYCAOXHSB-AWEZNQCLSA-N 310.422 4.507 30 20 DJED C=C1CC(c2noc([C@H](F)c3ccc(C(F)(F)F)cc3)n2)C1 896877039 FPKZCLJIUMXTFS-GFCCVEGCSA-N 312.266 4.581 30 20 DJED CCCCCCCCCCC(=O)N1CCC[C@@H]1c1ncccn1 898963206 ONMOCFXRFWYAAV-QGZVFWFLSA-N 317.477 4.671 30 20 DJED CCCCCCCCC(=O)NCCc1ccc2ccccc2n1 918113480 RMYLUBSSIOHCJI-UHFFFAOYSA-N 312.457 4.644 30 20 DJED N#Cc1ccc(CCN2CCC(c3cccc(Cl)c3)CC2)cc1 1169687158 PYTVLYOIBRWWFH-UHFFFAOYSA-N 324.855 4.634 30 20 DJED CC[C@@H]1CCCC[C@H]1N(C)Cc1ccc(C#N)cc1OC(F)F 1193461410 PDMJFNSWYPRUKG-GDBMZVCRSA-N 322.399 4.560 30 20 DJED C=C(CNC(=O)Nc1cccc(OC(C)(C)C)c1)c1ccccc1 1209707240 KUHKMMZZKCFYOW-UHFFFAOYSA-N 324.424 4.699 30 20 DJED CC(C)[C@H](CC1CCCCC1)C(=O)O[C@H]1CCC[C@H](C#N)C1 1275465327 UTENPCXSHZBGTF-BZSNNMDCSA-N 305.462 4.855 30 20 DJED N#Cc1c(CSc2cc(Cl)ccc2F)cn2ccccc12 1307340886 JHVVBYBOBJNDFP-UHFFFAOYSA-N 316.788 4.896 30 20 DJED C[C@H](Nc1cccc(CC#N)n1)c1cc(Cl)ccc1Cl 1320751681 CVNKPFWDACBYIC-JTQLQIEISA-N 306.196 4.628 30 20 DJED CCC[C@@H](CC(C)C)C(=O)N(Cc1ccc(C#N)cc1)C(C)C 1353332958 KXQLHSSREJNGHN-IBGZPJMESA-N 314.473 4.758 30 20 DJED N#C[C@H]1CCC[C@H](OC(=O)c2sccc2-c2ccccc2)C1 1436649636 QCBQVLLUFFTSHK-ZFWWWQNUSA-N 311.406 4.654 30 20 DJED CC[C@H](CC(=O)Nc1cc(F)cc(C#N)c1)c1ccc(C)cc1 1438461839 ICRPPWQELFNFNZ-OAHLLOKOSA-N 310.372 4.528 30 20 DJED CC[C@@](C)(NCCC1(C#N)CCCCC1)c1ccc(F)cc1 1473706508 LGTODBZXQJUSJJ-GOSISDBHSA-N 302.437 4.905 30 20 DJED CCCc1ccc(C(=O)Nc2cc3ccccc3cc2C#N)s1 1525266366 RWSAAFFNGMBCRE-UHFFFAOYSA-N 320.417 4.978 30 20 DJED CCC[C@H](CCc1ccccc1)Nc1cc(C#N)ccc1OC 1560744486 NGXAPIVCWQSBLL-GOSISDBHSA-N 308.425 4.780 30 20 DJED CCc1ccccc1C(=O)Nc1scc(C(C)(C)C)c1C#N 1595897445 DMFQPBZTWLHGMK-UHFFFAOYSA-N 312.438 4.732 30 20 DJED N#CCC1(CN[C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 1621294583 JWRQUBKMLPXJPF-WBVHZDCISA-N 302.849 4.650 30 20 DJED CC[C@H](Nc1ncc(Cl)c(C)c1C#N)c1ccc(C)c(F)c1 1655334050 YFQGDFXRIRYBBD-INIZCTEOSA-N 317.795 4.926 30 20 DJED N#CC1(CCN2CCC(c3cccc(F)c3)CC2)CCCCC1 1660030756 CNHTZPDLOKWYEW-UHFFFAOYSA-N 314.448 4.869 30 20 DJED N#C[C@@H]1CCC[C@H](Nc2cccc(SC(F)(F)F)c2)C1 1660423538 NVERVPQOVFGBPF-MNOVXSKESA-N 300.349 4.793 30 20 DJED CCCC1CCC(NC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1667342336 YGUARDOBFZOBPP-UHFFFAOYSA-N 319.836 4.692 30 20 DJED C=C(CNC(=O)N1CCC(C)(CC(C)C)CC1)c1ccccc1 1686696860 OTYHLVISHYZFTA-UHFFFAOYSA-N 314.473 4.558 30 20 DJED CC(C)CC[C@H]1CCCC1=NNc1ccc(C(=O)O)c(F)c1 1776074033 CVSWOBBZMVBSFN-GFCCVEGCSA-N 306.381 4.528 30 20 DJED Cc1cc(C(=O)/C=C\c2cc(C(=O)O)c(C)cc2C)c(C)s1 1776133081 NDAJECVOSZKJNX-WAYWQWQTSA-N 314.406 4.576 30 20 DJED C=CCN(CCc1ccccc1)C(=O)Nc1cccc(CC)c1 62374282 GAVOORXLHCFRGQ-UHFFFAOYSA-N 308.425 4.512 30 20 DJED O=C(/C=C/c1cccs1)c1cc(Br)ccc1F 83205276 MIDAJJYSTYNNQN-GQCTYLIASA-N 311.175 4.546 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccc2[nH]c(C)cc2c1 103589373 UOHZIYVQNPUEGD-UHFFFAOYSA-N 319.408 4.696 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1F)c1cccc(C(F)(F)F)c1 120114323 XEGOJEDTFKUTSJ-LLVKDONJSA-N 322.305 4.567 30 20 DJED C[C@H](c1ccc(Cl)c(Cl)c1)[S@@](=O)CCC(C)(C)C#N 123484118 AUPQVQWAGFVPMU-GIGQVBGESA-N 318.269 4.743 30 20 DJED O=C(/C=C/c1cc(F)c(F)c(F)c1)c1cc2ccccc2o1 216746741 OKPKLIJKFRUYNG-AATRIKPKSA-N 302.251 4.746 30 20 DJED CCc1nc(CON=Cc2cccc(Cl)c2Cl)cs1 255505307 XOCIIZDUVIJPSG-UHFFFAOYSA-N 315.225 4.563 30 20 DJED C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(-n2cccn2)cc1 301453803 RFODDPSKXUIIDM-CYBMUJFWSA-N 322.799 4.570 30 20 DJED N#Cc1cccc(Sc2nc(C(F)F)nc3ccccc23)c1 301654014 UKMLQVJXCIORGA-UHFFFAOYSA-N 313.332 4.590 30 20 DJED C[C@@H](CCc1ccco1)Nc1ccc(C#N)cc1C(F)(F)F 315616286 VTNAWPLDHTTYQK-NSHDSACASA-N 308.303 4.603 30 20 DJED C[C@H](C/C(O)=N/[C@H]1CCC(O)=NC12CCC2)C1CCCCC1 328700672 MVZCLMCJBBPWFX-HIFRSBDPSA-N 306.450 4.591 30 20 DJED Cc1nc(C)c(C/N=C(/O)Nc2ccc(C3CCC3)cc2)s1 330230223 WKCDBCICHLTIFZ-UHFFFAOYSA-N 315.442 4.554 30 20 DJED C=CCCC1(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 361467669 YAJJZRGNXLOBMG-CQSZACIVSA-N 321.873 4.740 30 20 DJED Cc1c(N[C@@H](C)c2cccc(C#N)c2)cccc1-c1ncco1 427451921 RGYSGJKFZBEDCI-AWEZNQCLSA-N 303.365 4.695 30 20 DJED CC1(C)CCCc2cc(C#N)c(N3CCC[C@H]3c3ccco3)nc21 428107679 MZIGMCRBNAZQCH-INIZCTEOSA-N 321.424 4.502 30 20 DJED N#C[C@H]1CCC[C@H](NC2(c3c(Cl)cccc3Cl)CC2)C1 447601439 QBUGMVHWEBDHNN-RYUDHWBXSA-N 309.240 4.654 30 20 DJED C=CCCC1(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)CC1 474976430 ZZZMZJLRLFMHRY-UHFFFAOYSA-N 313.416 4.578 30 20 DJED C=CCOc1ccc(CN[C@H]2CCCc3ccc(F)cc32)cc1 475515428 CCIFMYPSHDYKSI-FQEVSTJZSA-N 311.400 4.558 30 20 DJED C=CCNC(=O)Nc1ccc(SC2CCCCC2)cc1C 498919670 WHIPDLOGUWMEET-UHFFFAOYSA-N 304.459 4.727 30 20 DJED C=CCCC[C@@H](C)NC(=O)N1CCCCC[C@H]1c1ccco1 539464866 CANKCPYHFPVXBZ-CVEARBPZSA-N 304.434 4.651 30 20 DJED Cc1cc(C#N)ccc1Oc1ccc(-c2nc(C3CC3)no2)cc1 545035015 DFTAMFDPDKUKSF-UHFFFAOYSA-N 317.348 4.586 30 20 DJED CC(C)Oc1ccccc1[C@H](C)NCCCCC(C)(C)C#N 576099051 RSQKDSQRZODWMZ-INIZCTEOSA-N 302.462 4.844 30 20 DJED N#CCn1c(/C=C\c2ccc(C(F)F)cc2)nc2ccccc21 588305723 GASGRCORBFRFFN-YFHOEESVSA-N 309.319 4.668 30 20 DJED CC[C@@H](N[C@H](C#N)c1ccccc1)c1ccccc1OC(F)F 595417850 ZCEOMNPWKJCOBL-HZPDHXFCSA-N 316.351 4.594 30 20 DJED C=CCCCCCN(C)C(=O)C1CC(c2cccc(F)c2)C1 606815986 JXSDGJDVTFIZJL-UHFFFAOYSA-N 303.421 4.524 30 20 DJED CCS[C@@H]1CCC[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)C1 611394038 ZCWYTWODECEMCI-LMMKCTJWSA-N 314.498 4.590 30 20 DJED C=CCN(Cc1ccccc1)C(=O)C[C@@H](C)c1ccc(F)cc1 615936528 RPCSWDPRJCAZHA-MRXNPFEDSA-N 311.400 4.534 30 20 DJED C#Cc1cccc(N(CC)C(=O)c2oc3ccc(F)cc3c2C)c1 728480935 WOXZZDWVFAVSDP-UHFFFAOYSA-N 321.351 4.528 30 20 DJED Cc1ccc(C2CC(=NNc3cccc4cnccc34)C2)cc1 729819154 FPSQKCYROLLDOV-UHFFFAOYSA-N 301.393 4.889 30 20 DJED Fc1cccc(C=NNc2ccc(Cl)c(Cl)c2)c1F 730722469 QVHHNVHYPRIBGN-UHFFFAOYSA-N 301.123 4.718 30 20 DJED O=C(/C=C\c1cc(C(F)(F)F)ccc1F)c1cccs1 733205389 UGVJMYCBYPKMTM-UTCJRWHESA-N 300.276 4.802 30 20 DJED O=C(/C=C\c1cccnc1Cl)c1cccc(Cl)c1Cl 734980780 LGGCWQZDAMUZND-SREVYHEPSA-N 312.583 4.938 30 20 DJED C=CC[C@H](C)NCc1c(C)nn(-c2cc(C)ccc2C)c1Cl 735085667 GRVTZBHXACSVDW-AWEZNQCLSA-N 317.864 4.505 30 20 DJED COc1ccc2ccccc2c1C=NNc1c(F)cccc1F 735615223 LVRVSCPMEFWZNP-UHFFFAOYSA-N 312.319 4.573 30 20 DJED O=C(/C=C/c1cnc2ccc(Cl)cn12)c1cc2ccccc2o1 737443805 MLSFAUVCJOZIGZ-VOTSOKGWSA-N 322.751 4.630 30 20 DJED O=C(/C=C\c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)COC2 742436432 KDPHSEKXSVFPPG-BAQGIRSFSA-N 318.294 4.632 30 20 DJED CC(C)(C#N)CCSc1nc(-c2ccc(F)cc2)cs1 742445275 LUDKOYGSEVWXFI-UHFFFAOYSA-N 306.431 4.981 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C(\C)C(C)(C)C 742486022 LMABZGDWAGCIMO-ZRDIBKRKSA-N 311.878 4.909 30 20 DJED CC(C[C@@H]1CCOC1)=NNc1c(Cl)cc(Cl)cc1Cl 751516274 HCBAWDBCHQJMOT-VIFPVBQESA-N 321.635 4.861 30 20 DJED CC(C)c1ncc(/C=C\C(=O)c2ccc(OC(F)F)cc2)s1 758423307 MGJGTEIASPGQHE-FPLPWBNLSA-N 323.364 4.764 30 20 DJED CC(=O)Nc1ccc(/C=C2\C(=O)c3ccccc3[C@@H]2C(C)C)cc1 766505401 HPOOBSBZPOYIFJ-CBXNMNPBSA-N 319.404 4.665 30 20 DJED Fc1cc(F)c(NN=CC2CCC(C(F)(F)F)CC2)cc1F 767378372 GAWKJDQOWUKDAS-UHFFFAOYSA-N 324.268 4.870 30 20 DJED CC(C)(C=NNc1c(Cl)cc(F)cc1Cl)CCC#N 767910358 RPCPEWFCOHSLGC-UHFFFAOYSA-N 302.180 4.860 30 20 DJED O=C(/C=C/c1scnc1C1CC1)c1ccc(OC(F)F)cc1 782299956 BEBAECBCNXCVSH-BQYQJAHWSA-N 321.348 4.518 30 20 DJED Cc1ccc2cc(C(=O)/C=C/c3scnc3C3CC3)oc2c1 782354672 NNKOUYABPPRICC-VOTSOKGWSA-N 309.390 4.971 30 20 DJED Cc1c(C(=O)/C=C/c2ccc(-c3ccccc3)o2)cnn1C(C)C 787186539 KJWCPSSROIGPAQ-PKNBQFBNSA-N 320.392 4.929 30 20 DJED Clc1cc(Cl)c(NN=C[C@@H]2CCCSC2)nc1Cl 794873023 NAZOGYNSSIMKOK-ZETCQYMHSA-N 324.664 4.583 30 20 DJED C[C@@H]1/C(=C/c2nc3ccc(F)cc3s2)C(=O)c2ccccc21 809159081 HZJDKMWTMMLHTH-ADVUTCEVSA-N 309.365 4.819 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)Cc2cccc(C3CC3)c2)n1 842316718 XCSJKDGHUJWPKY-MRXNPFEDSA-N 324.449 4.563 30 20 DJED Cc1ccc(N=Cc2cc3ccccc3nc2O)c2cccnc12 912782345 LRGOCGSSWXBBKP-UHFFFAOYSA-N 313.360 4.548 30 20 DJED CC(=NNc1ccccc1C(F)(F)F)c1ccc(F)cc1F 916260114 XRJPRJGNDAKUDZ-UHFFFAOYSA-N 314.257 4.820 30 20 DJED CC(CCc1cccc(F)c1)=NNc1ccc2ccccc2n1 920359185 UQUAMQFZHGGYSJ-UHFFFAOYSA-N 307.372 4.795 30 20 DJED C[C@@H]1CCCC[C@H]1CC(=O)[C@@H](C#N)c1ccc2ccccc2n1 920788334 GPSAGOLGRVWMLL-PVAVHDDUSA-N 306.409 4.627 30 20 DJED C=CCN(C(=O)Nc1cc(Cl)c(C)c(Cl)c1)C(C)C 921117186 KCZHTHVEUMQZGA-UHFFFAOYSA-N 301.217 4.730 30 20 DJED CC1(C)CC(C)(C)c2cc(NC(=O)c3sccc3C#N)ccc21 1127704812 BTEFPBSXYHRLIA-UHFFFAOYSA-N 324.449 4.831 30 20 DJED Cc1ccc(C#N)cc1C(=O)Nc1cccc(-c2ccccc2)c1 1128691023 TVOBGFVTUPFUCE-UHFFFAOYSA-N 312.372 4.786 30 20 DJED Cc1cc(SCc2ccc(C(F)(F)F)cc2)c(C#N)cn1 1163225193 REXSHUGPBVARCJ-UHFFFAOYSA-N 308.328 4.573 30 20 DJED COc1cccc(CCCN(CC(C)C)c2ccc(C#N)cc2)c1 1167835762 SHFAEMBYYNNIGT-UHFFFAOYSA-N 322.452 4.662 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1Cc2ccccc2C2(CCC2)C1 1307760874 KHWRSNLZKYSIPT-MRXNPFEDSA-N 302.421 4.557 30 20 DJED CCCCN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[C@@H](C)C1 1310075903 ATDDILNGOCZONA-CRAIPNDOSA-N 313.445 4.771 30 20 DJED C[C@@H]1CCCC[C@@H]1CCNC(=O)Nc1ccc(C#N)cc1Cl 1465888623 PFBJEEVSTORPKU-TZMCWYRMSA-N 319.836 4.550 30 20 DJED CCCC[C@H](CC)CC(=O)Nc1cc(C#N)cn1C(C)(C)C 1517429697 QMGOGXTYWWAMGU-AWEZNQCLSA-N 303.450 4.660 30 20 DJED N#CCC[C@@H](NC(=O)CCC1CCCCCC1)c1ccccc1 1519986852 VAHUGYBQRQXIRM-LJQANCHMSA-N 312.457 4.898 30 20 DJED CCc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1Cl 1520810358 UGWGRJNQRKAJSN-UHFFFAOYSA-N 304.821 4.705 30 20 DJED Cc1oc(-c2ccccc2)cc1C(=O)Nc1cc(C#N)ccc1F 1528047465 KKPLHAOQZCEJAY-UHFFFAOYSA-N 320.323 4.518 30 20 DJED CCC(CC)(C(=O)O[C@H](C)c1cccc(C#N)c1)c1ccccc1 1533365285 LCCKBDXOAVADCL-MRXNPFEDSA-N 321.420 4.920 30 20 DJED C[C@@H]1C[C@H]1[C@H](Nc1c(C#N)cccc1C#N)c1ccc(Cl)cc1 1559105170 JHFDUHRMFHFILU-QHLBDZCJSA-N 321.811 4.893 30 20 DJED CCCc1ccc(CCCC(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1 1596979299 WGDNCFLKXQOJTK-MOPGFXCFSA-N 313.441 4.587 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1NCc1ccccc1F 1611710166 NIPYVSVAKHJWFB-UHFFFAOYSA-N 311.747 4.511 30 20 DJED N#Cc1ccc(CN(Cc2cccc(F)c2)CC2CCCC2)cc1 1615910515 WKULBCJSNYAIGW-UHFFFAOYSA-N 322.427 4.890 30 20 DJED CC(C)(C)c1ccc(C#N)c(N(Cc2ccc(F)cc2)C2CC2)n1 1639197880 LQUMEOPYDHHFHV-UHFFFAOYSA-N 323.415 4.559 30 20 DJED CCCN(CCc1ccc(C#N)cc1)[C@@H](C)c1ccccc1OC 1641607247 XEUXYGPZAAHUNU-KRWDZBQOSA-N 322.452 4.583 30 20 DJED C[C@H]1CCC[C@@H](CSc2nc3c(cc2C#N)CCCC3)C1 1643615521 NFUDXYLCBLBRSI-UONOGXRCSA-N 300.471 4.750 30 20 DJED C[C@@H](NCCC1(C#N)CCCCC1)c1cccc(OC(F)F)c1 1645089379 FGXZJNOTWBZHMM-CQSZACIVSA-N 322.399 4.803 30 20 DJED N#Cc1ccc(Nc2cccc(CCCc3ccccc3)c2)nc1 1650715939 GIHJRHFSBHQZDD-UHFFFAOYSA-N 313.404 4.872 30 20 DJED N#Cc1nc(NCCc2csc3ccccc23)sc1Cl 1654991479 JYWPSKPCOWRYJT-UHFFFAOYSA-N 319.842 4.537 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C)cc1C 1665535778 VTKGVHONZLXIFP-UHFFFAOYSA-N 321.424 4.619 30 20 DJED Cc1cc(C#N)cc(NC(=O)N2CCCCC[C@H]2CC(C)C)c1 1678413385 RVNCWUWQACZEBT-SFHVURJKSA-N 313.445 4.689 30 20 DJED Cc1ccc(C(=O)/C=C/c2cc(C(=O)O)c(C)cc2C)c(C)c1 1776132696 BVXLHIGVHCFAEX-SOFGYWHQSA-N 308.377 4.515 30 20 DJED c1ccc2c(c1)oc1c(NN=C3CCCCCCC3)ncnc12 7901559 BKBNRDGSJJMAJT-UHFFFAOYSA-N 308.385 4.888 30 20 DJED N#Cc1ccccc1CN(Cc1ccccc1)Cc1ccccc1 31945811 QBXFYZUSQJVUBH-UHFFFAOYSA-N 312.416 4.761 30 20 DJED COc1cc(C(=O)/C=C/c2ccc(C)s2)ccc1OC(F)F 57435296 OCJSLNJAVQDKIQ-VOTSOKGWSA-N 324.348 4.563 30 20 DJED N#Cc1ccc(NC(=O)c2sccc2-c2ccccc2)cc1 72515557 RTKVWAXSPSFWKR-UHFFFAOYSA-N 304.374 4.539 30 20 DJED CCCCN1Cc2cccc(N[C@H](C)c3ccc(C#N)cc3)c2C1 118443310 BDQDAGVWHLOEDY-MRXNPFEDSA-N 319.452 4.847 30 20 DJED N#Cc1ccc(CNc2cccc(CSC3CCCC3)c2)o1 151696555 ACWKIVCCXOIKAH-UHFFFAOYSA-N 312.438 4.939 30 20 DJED CCC[C@H](C)CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 155486776 VOICZTIVPFQQGZ-DZGCQCFKSA-N 312.438 4.813 30 20 DJED C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(C(C)(C)C)cc1 192970473 SOYCWUSFPLXZRL-INIZCTEOSA-N 322.452 4.737 30 20 DJED C=C(Cl)COc1ccc(C(=O)/C=C\c2cccc(C#N)c2)cc1 207260452 MZYRQMUIARWSDX-YHYXMXQVSA-N 323.779 4.586 30 20 DJED C[C@@H]1CC[C@@H](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 246555224 KJUXJFIKFCYMMS-RBSFLKMASA-N 316.470 4.846 30 20 DJED CC[C@@H](Nc1snc(Cl)c1C#N)c1ccc(Cl)cc1 301287309 RVXIQDBYRWEMIW-LLVKDONJSA-N 312.225 4.885 30 20 DJED CC(C)(C)c1nc2cc(N=C(O)[C@H]3CCCSC3)ccc2o1 329856418 USLLKGPNEYONDT-NSHDSACASA-N 318.442 4.857 30 20 DJED CCC[C@H](Nc1ccc(C#N)cn1)c1ccc(Cl)c(Cl)c1 462866880 CJJNJGBVEYYINM-HNNXBMFYSA-N 320.223 5.213 30 20 DJED C=CC[C@H](CC)NC(=O)N1CCCCC[C@H]1c1ccc(C)o1 466385863 KWSHFDHZEZGBIU-HOTGVXAUSA-N 304.434 4.569 30 20 DJED C=C(C)[C@H](N[C@@H](C)c1ncccc1CC)c1ccc(F)c(F)c1 480665700 QHTKYVURDCEDAC-UGSOOPFHSA-N 316.395 4.890 30 20 DJED CCCOc1cccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 514568765 MGUVXNVMQAKOCN-UHFFFAOYSA-N 322.408 4.529 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 517999088 DVDZETDTWPNKBK-CYBMUJFWSA-N 321.380 4.581 30 20 DJED C=CC[C@H](C)NC(=O)CSc1cccc2cccc(Cl)c12 522645675 GKGQFTGGTAGEKC-LBPRGKRZSA-N 319.857 4.666 30 20 DJED CC(C)c1ccc([C@@H]2CCCN2C(=O)c2ccc(C#N)cc2)cc1 534781381 JYBPFTNSEVXGCX-FQEVSTJZSA-N 318.420 4.659 30 20 DJED CC[C@@H](CC#N)NCc1ccc(-c2cccc(Cl)c2)s1 546581298 NZWOWLZEEUVGFA-AWEZNQCLSA-N 304.846 4.850 30 20 DJED N#C[C@@H]1CC[C@H](N2CCC(c3ccccc3C(F)(F)F)CC2)C1 549865791 DCQGZJGCMUQVBT-HIFRSBDPSA-N 322.374 4.577 30 20 DJED CC(C)(CCC#N)CN[C@H]1CCC[C@H]1c1ccccc1Cl 554074792 GKIWKVKYSLQXGN-RDJZCZTQSA-N 304.865 4.896 30 20 DJED C[C@H]1c2cc(Cl)c(Cl)cc2CCN1Cc1ccc(C#N)o1 557000358 OCUCUYIXGFDSBB-JTQLQIEISA-N 321.207 4.577 30 20 DJED C[C@H](NC[C@]1(C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1F 559882616 PDAJDNQWTPMCSH-DCPHZVHLSA-N 308.400 4.542 30 20 DJED CC[C@H](C)Oc1cccc(N[C@@H]2CCc3ccc(C#N)cc32)c1 568045127 NNIUROPRPUUBSY-VBKZILBWSA-N 306.409 4.835 30 20 DJED C[C@H](NCCc1cc2ccccc2s1)c1ccc(C#N)cc1 568872666 RWPNAGBDLRCFHT-AWEZNQCLSA-N 306.434 4.666 30 20 DJED Cc1ncsc1COc1ccc(-c2ccc(C#N)cc2)cc1 576672177 LDOYMMRVEFRZIC-UHFFFAOYSA-N 306.390 4.569 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1NCC1CCC(C#N)CC1 578501451 OCRVJKDUEJSICP-UHFFFAOYSA-N 324.815 4.502 30 20 DJED Cc1c(C#N)cccc1NC(=O)N1CCCC[C@@H]1c1ccccc1 581640696 GLWMEVXDBWGFRG-LJQANCHMSA-N 319.408 4.626 30 20 DJED C[C@H](c1noc(-c2ccc(C(C)(C)C#N)cc2)n1)c1cccs1 581751895 XDVJGBUQLRVMRS-LBPRGKRZSA-N 323.421 4.751 30 20 DJED N#CC[C@H]1CCCN(Cc2ccc(-c3cccc(F)c3)s2)C1 597173635 LLBZHTSYKWQIDM-CQSZACIVSA-N 314.429 4.680 30 20 DJED N#Cc1ccc(CNCc2ccc(-c3ccccc3)o2)cc1Cl 619749013 WLZLHXHONMJJNW-UHFFFAOYSA-N 322.795 4.761 30 20 DJED Cc1cc(Br)c(F)cc1N[C@H](C)CC(C)(C)C#N 695810672 GHGUYABPEOGYLF-SNVBAGLBSA-N 313.214 4.637 30 20 DJED COc1ccc2cc(/C=C3/Cc4cc(F)ccc4C3=O)ccc2c1 734305270 OPBWPXFZFGZIJK-MFOYZWKCSA-N 318.347 4.810 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C\c3cc(C)ccc3F)c2c1 734981792 WJMCCHDPPMVDAC-YWEYNIOJSA-N 309.340 4.520 30 20 DJED CC(C)c1cccc2c1OC/C(=C\c1nc(Cl)cs1)C2=O 759083729 PIMMVPGOKQSRRZ-UXBLZVDNSA-N 319.813 4.579 30 20 DJED N#Cc1cc(C(=O)OCc2ccc(C(F)F)cc2)ccc1Cl 764580142 NBDJYHBQCQKION-UHFFFAOYSA-N 321.710 4.506 30 20 DJED CC(C)=CCC/C(C)=C/C=NNc1cc(C#N)cc(Cl)n1 768379076 CZJAXAKAHCGZPB-YUETYWHYSA-N 302.809 4.697 30 20 DJED C[C@H](C(=O)OCCCCC(C)(C)C#N)c1cccc(Cl)c1 768727471 FONUVCQGCNPCRE-ZDUSSCGKSA-N 307.821 4.707 30 20 DJED C=CCN(C(=O)Nc1ccc(F)cc1OC1CCCC1)C(C)C 770285809 FPGLSWVRDZGRBE-UHFFFAOYSA-N 320.408 4.575 30 20 DJED C#CC[C@@H](N[C@H](C)c1ccc(OC)c(Cl)c1)c1ccccc1 773116398 RMSILIWKIFDHOF-RDTXWAMCSA-N 313.828 4.764 30 20 DJED N#Cc1cccc(CNc2ccc(SC(F)F)cc2)c1F 775337436 FZEKOYULVHCYAZ-UHFFFAOYSA-N 308.328 4.624 30 20 DJED CCC(=NNc1ccc2[nH]ncc2c1)c1ccc(Cl)s1 779820067 DCNBHKCGGOPQHO-UHFFFAOYSA-N 304.806 4.504 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 785590204 MJYPYDWTZZXKIL-LJQANCHMSA-N 310.397 4.723 30 20 DJED O=C(/C=C/c1cnc(-c2ccco2)s1)c1ccc(F)cc1F 789131181 WDXCQCMUKYARKX-GQCTYLIASA-N 317.316 4.577 30 20 DJED CC[C@@](C)(C#N)C(=O)Oc1ccc([C@@H](C)c2ccccc2)cc1 796979044 ALIAYUHEUBJDNJ-YWZLYKJASA-N 307.393 4.684 30 20 DJED Cc1cccnc1[C@@H]1CCCC(=NNc2cc(Cl)ccn2)C1 799113073 HFXBQCGTECKDBW-CYBMUJFWSA-N 314.820 4.564 30 20 DJED C[C@@H](NCC(C)(C)CCC#N)c1ccc(N2CCCCC2)cc1 806178463 UNNLBYVUDMRQBD-QGZVFWFLSA-N 313.489 4.657 30 20 DJED C#C[C@@H](NCc1ccc(Cl)s1)c1ccc(Cl)cc1F 809699752 SMUAMCQOYQWINR-CYBMUJFWSA-N 314.212 4.658 30 20 DJED CCc1ccc(NC(=S)N(C)[C@H](C)c2cccc(C#N)c2)cc1 819027472 CQBSKLVZGLBLJP-CQSZACIVSA-N 323.465 4.510 30 20 DJED CC1(C#N)CCC(=NOCc2ccc(C(F)(F)F)cc2)CC1 834966467 OJNGDQYFMLDEDB-UHFFFAOYSA-N 310.319 4.682 30 20 DJED CCCCCCCCC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842939551 QXJOIZDWYQZUQM-CQSZACIVSA-N 304.459 4.947 30 20 DJED C[C@H](CCC(=O)[C@H](C#N)c1nc(C2CC2)cs1)c1ccccc1 842940981 MBNJFBRMKRUWEO-CJNGLKHVSA-N 324.449 4.781 30 20 DJED Cc1cccc([C@H](C)[S@@](=O)CCCCC2(C#N)CCC2)c1 899394327 GKVSLHAIXVXHKE-KKSFZXQISA-N 303.471 4.669 30 20 DJED C#Cc1cccc(NC(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c1 915340245 SQBVCJDVFKPNEA-UHFFFAOYSA-N 320.436 4.629 30 20 DJED Cc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 916134788 AECQQNFHUVBKNX-VAWYXSNFSA-N 317.344 4.953 30 20 DJED CCc1cccc2c(/C=C3/Cc4c(F)cccc4C3=O)c[nH]c12 921264128 PFCZWNRJAJVAAC-LCYFTJDESA-N 305.352 4.692 30 20 DJED Cc1ccc([C@@H]2CCC[C@@H]2Nc2ccc(OCC#N)cc2)cc1 1116639408 MBYDRDFRSKRDBG-PMACEKPBSA-N 306.409 4.646 30 20 DJED CC[C@H](C)[C@@H](C)C(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1124963703 YZZKDTJTNBGRJC-UONOGXRCSA-N 323.440 4.587 30 20 DJED C[C@@H]1C[C@@H](OC(=O)c2ccc(C#N)c(Cl)c2)CC(C)(C)C1 1131782602 WVLNYQRVCSNOOI-BXUZGUMPSA-N 305.805 4.583 30 20 DJED COc1cc(C#N)ccc1CS[C@H](C)c1ccccc1F 1165594334 WJIYCJBOONWJTD-GFCCVEGCSA-N 301.386 4.700 30 20 DJED CC[C@H]1CN(CCc2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 1167601582 DUMWLADVYSETOF-UNMCSNQZSA-N 318.464 4.616 30 20 DJED CC[C@@H](Sc1ccc(C#N)cc1Cl)C(=O)c1ccccc1 1188971088 MULNJUFUEGOFDY-OAHLLOKOSA-N 315.825 4.965 30 20 DJED CCC[C@@H](CC)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1264129614 SJYNWUHTYXHJHA-NWDGAFQWSA-N 304.459 4.509 30 20 DJED CCC(CC)N(C(=O)c1cc(C#N)oc1C)c1ccc(C)c(C)c1 1356016154 VQIUXXOUELKCMC-UHFFFAOYSA-N 324.424 4.912 30 20 DJED CC(C)[C@H]1CCc2c(sc(NC(=O)CC3(C)CC3)c2C#N)C1 1436527786 YZWZCJIZQOCOKU-LBPRGKRZSA-N 316.470 4.509 30 20 DJED CCCC[C@@H](C(=O)N(C)c1ccc(C#N)c(Cl)c1)C(C)C 1438270980 FCDFCPSUYBVQJD-OAHLLOKOSA-N 306.837 4.637 30 20 DJED Cc1cc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c(C)s1 1459533603 WPROKAILWAZIPY-MOPGFXCFSA-N 310.466 4.637 30 20 DJED Cc1ccc(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)cc1 1460379725 MTGQIPRMOYEFOU-QWHCGFSZSA-N 324.449 4.866 30 20 DJED C=C(CNC(=O)C1=C(c2ccccc2)CCCC1)c1ccccc1 1527585795 PVLHWRIHASFHJS-UHFFFAOYSA-N 317.432 4.844 30 20 DJED CC(C)(C)c1cc(Oc2cncc(C#N)n2)cc(C(C)(C)C)c1 1559050917 CKAZPAIWEHFOHE-UHFFFAOYSA-N 309.413 4.736 30 20 DJED C[C@@H]1CCN(Cc2ccc(CC#N)cc2)c2ccccc2S1 1559605768 CWIMTYONLIZLHH-OAHLLOKOSA-N 308.450 4.644 30 20 DJED N#C[C@@H](c1ccccc1)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 1559783501 QSLISTHOOZEFEX-WOZUAGRISA-N 302.421 4.662 30 20 DJED CCC[C@@H]1CCC[C@@H]1C(=O)N(c1cccc(C#N)c1)C1CCC1 1587314065 HWMHDVVQRKHXHT-APWZRJJASA-N 310.441 4.660 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)[C@H](C)C(C)(C)C)c2C#N)[C@@H](C)C1 1588272170 YAAPKXUQKQWRLT-SRVKXCTJSA-N 318.486 4.926 30 20 DJED CCc1nc(S[C@@H](C)c2ccc(C#N)cc2)c2ccccc2n1 1614575203 AGIWODOQIMFDQI-ZDUSSCGKSA-N 319.433 4.917 30 20 DJED C[C@H]1CCCC[C@H]1CSc1nc(C(F)(F)F)ccc1C#N 1641069093 TXYVQAXJKJATIQ-JQWIXIFHSA-N 314.376 4.890 30 20 DJED N#Cc1ccc(COc2ccc(Cl)c(C(F)(F)F)c2)s1 1643518436 GTQPMYQUJSFGPX-UHFFFAOYSA-N 317.719 4.871 30 20 DJED CC(C)c1nc(SCc2ccccc2C#N)c2ccccc2n1 1643886170 BLVCTTVDOIJZML-UHFFFAOYSA-N 319.433 4.917 30 20 DJED N#CCc1ccc(CN2CCC[C@@H](c3ccccc3)CC2)cc1 1644516951 YGBUUWZQSFSFKU-OAQYLSRUSA-N 304.437 4.522 30 20 DJED Cc1c(Cl)cnc(N2CCC(C3CCCCC3)CC2)c1C#N 1651217634 XIDLXXRBJANWDM-UHFFFAOYSA-N 317.864 4.712 30 20 DJED C[C@@H]1CCC[C@@H](COc2ccc(Br)c(C#N)c2)C1 1652243343 RLQJEXDPPFECMV-VXGBXAGGSA-N 308.219 4.526 30 20 DJED CN(Cc1ccc(C#N)cc1Cl)[C@@H]1CCC[C@H]1C(C)(C)C 1654775035 LDXFSWKDLVSTJO-NVXWUHKLSA-N 304.865 4.858 30 20 DJED Cc1nsc(Oc2ccc(Oc3ccccc3)cc2)c1C#N 1654893896 ZLQOOYADPBXEJD-UHFFFAOYSA-N 308.362 4.908 30 20 DJED C/C(=C/c1ccccc1C(F)(F)F)CNCC(C)(C)CC#N 1656409932 NJNZPJLBULIEAZ-RAXLEYEMSA-N 310.363 4.638 30 20 DJED Cc1ccc([C@@H]2[C@H](C)CCCN2Cc2ccc(F)cc2C#N)cc1 1657395012 VBMVRZGXPRNFLB-IERDGZPVSA-N 322.427 4.979 30 20 DJED CCOC(=O)Nc1ccc(N[C@@H](CC)C[C@H](C)CC)cc1C#N 1657733663 GRJQLIRKFPLQBM-HIFRSBDPSA-N 317.433 4.753 30 20 DJED CCC[C@H](C)CCCC(C)=NNc1ccc(C(=O)O)cc1OC 1776050989 OHFUGIJMDDYDMR-ZDUSSCGKSA-N 320.433 4.788 30 20 DJED CC(C)(C)c1ccccc1/C=C/C(=O)c1ccc(C(=O)O)s1 1776276536 XDOGIPGDXRAHAP-CMDGGOBGSA-N 314.406 4.640 30 20 DJED CC(C)CC[C@@H](C)NC(=O)c1ccccc1-c1ccccc1C#N 21203764 MRRIITVQTZBOGW-MRXNPFEDSA-N 320.436 4.780 30 20 DJED Cc1oc(-c2cccs2)nc1CSc1ccccc1C#N 172681439 CBKLSKGSUBUDGT-UHFFFAOYSA-N 312.419 4.876 30 20 DJED C[C@H](C#N)Oc1ccc(/C=C\c2nc3cc(Cl)ccc3o2)cc1 208002990 WSYKFDLKEJHFLZ-TWLAMCEISA-N 324.767 4.942 30 20 DJED O=C(/C=C\c1csc(-c2cccs2)n1)c1ccc(F)cc1 209742970 SBMWOEDMIOPXBV-FPLPWBNLSA-N 315.394 4.907 30 20 DJED CCCc1ccccc1NC(=O)c1ccc(C(C)(C)C#N)cc1 280415362 WNSLYGJRMQVDRU-UHFFFAOYSA-N 306.409 4.693 30 20 DJED CN(Cc1cc(Cl)cc(Cl)c1)Cc1ccc(F)cc1C#N 303216536 TWUMYQIXNMWFJH-UHFFFAOYSA-N 323.198 4.636 30 20 DJED C[C@H](C/C(O)=N/Cc1nnc(C(C)(C)C)s1)C1CCCCC1 329811932 CBXHCEMYZATOAD-GFCCVEGCSA-N 323.506 4.899 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NCc1cc2cc(F)ccc2o1 418139167 DPPUEUUISRYNSA-LJQANCHMSA-N 320.367 4.611 30 20 DJED CC[C@@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)C(C)(C)C 431924233 GMSKXDYCYQOQDV-IAGOWNOFSA-N 315.461 4.545 30 20 DJED CCOc1ccccc1[C@@H](CC)NC1CCC(C)(C#N)CC1 449108469 QZNNAFGWFUTDON-URSIVYNOSA-N 300.446 4.598 30 20 DJED CC(C)c1nc(CNc2ccc(CC#N)cc2Cl)cs1 453125682 JSCSMQRNVLPYGK-UHFFFAOYSA-N 305.834 4.598 30 20 DJED CCC[C@@H](NC(=O)[C@H](C)c1cccc(C#N)c1)C1CCCCC1 462042320 XNVDUFJQUJIION-DNVCBOLYSA-N 312.457 4.527 30 20 DJED CC(C)(C#N)CCCN1CCC[C@@H]1Cc1ccccc1Cl 472434660 WIUYFDMEOMIDEN-MRXNPFEDSA-N 304.865 4.677 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 484363672 DILUGFYXNYMVCB-INIZCTEOSA-N 315.432 4.690 30 20 DJED C=CCSc1ccccc1C(=O)Nc1ccc2nc(C)oc2c1 485769357 VNYKVKOMXMFBGB-UHFFFAOYSA-N 324.405 4.667 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccc(-c2ccco2)cc1F 490543157 ZKSVIRJJLLDSGS-UHFFFAOYSA-N 302.349 4.516 30 20 DJED C[C@H](c1ccccc1F)N1CC=C(c2ccc(C#N)cc2)CC1 502531605 QFOZPHJHAMLJRT-OAHLLOKOSA-N 306.384 4.548 30 20 DJED N#Cc1c(F)cccc1N1CCC[C@H]1c1ccccc1Cl 506870890 AKKXDGPQSYXUEJ-INIZCTEOSA-N 300.764 4.692 30 20 DJED C=C(C)CCN[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 509035786 WXQUDDMNJLKQBF-HNNXBMFYSA-N 303.446 4.633 30 20 DJED C=CC1CCN(C(=O)CCCSc2ccc(Cl)cc2)CC1 517658428 KSWVAHGLTJJNBZ-UHFFFAOYSA-N 323.889 4.637 30 20 DJED CCc1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 521727417 SMGSNSVCHOOZCR-AWEZNQCLSA-N 324.449 4.753 30 20 DJED CC[C@@H](CNc1nc(C(F)(F)F)ccc1C#N)c1ccccc1 522416713 PJCVVOMIBRGMIQ-LBPRGKRZSA-N 319.330 4.578 30 20 DJED CCC(C#N)(CC)C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl 529081604 WTVIQFNWHZOTPK-JTQLQIEISA-N 313.228 4.501 30 20 DJED Cc1ccc(C#N)cc1NC(=O)[C@@H](CC(C)C)c1ccccc1 530593699 ALGPLHRGHORIJT-SFHVURJKSA-N 306.409 4.635 30 20 DJED C=C[C@@H](CC(=O)N[C@H](C)c1cc(C)sc1C)c1ccccc1 534632140 OAGSKNOMJOOTJE-ZBFHGGJFSA-N 313.466 4.902 30 20 DJED C=C[C@H](CC(=O)N(C)[C@H](C)c1ccc(C)cc1)c1ccccc1 536090597 MJNOCPUEQRLQLZ-QZTJIDSGSA-N 307.437 4.874 30 20 DJED N#Cc1csc(CN2CC[C@@H](C(F)(F)F)c3ccccc32)c1 552316765 LLPQUMCNJURIKQ-CQSZACIVSA-N 322.355 4.676 30 20 DJED CCCc1cccc(C(C)C)c1NC(=O)c1ncc(C#N)cc1C 556783566 FZIRAOWEKBQUIQ-UHFFFAOYSA-N 321.424 4.590 30 20 DJED C=C(C)COc1cccc(NC(=O)N(CC)C2CCCCC2)c1 601157511 OSNKUOAUZIPUBQ-UHFFFAOYSA-N 316.445 4.828 30 20 DJED C=CC1CCN(C(=O)Nc2cccc(Cl)c2OC(C)C)CC1 605346923 MYCNQXWOSRMJOX-UHFFFAOYSA-N 322.836 4.557 30 20 DJED COc1ccc2c(c1)C(C)(C)C[C@H]2N[C@@H](C)c1cccc(C#N)c1 616092254 WZEDPQRZOJIAJW-VBKZILBWSA-N 320.436 4.640 30 20 DJED CC1(C)C[C@@H](N[C@H]2CCc3cc(C#N)ccc32)c2ccccc21 618804703 CFABDDFEFXHGPO-VQTJNVASSA-N 302.421 4.558 30 20 DJED C=CCC[C@@H](NCc1oc2ccccc2c1OC)c1ccco1 671762207 YRBFUUHLPMHZLY-OAHLLOKOSA-N 311.381 4.832 30 20 DJED CCOc1cccc(C=Nc2cccc(SC(F)F)c2)c1O 727264127 NMIPQRVVRIHQIC-UHFFFAOYSA-N 323.364 4.856 30 20 DJED O=C1/C(=C/c2cc(F)c(F)c(F)c2)CSc2c(F)cccc21 727973793 BKWUTGBQDLMDII-RUDMXATFSA-N 324.298 4.615 30 20 DJED O=C1/C(=C/c2cccc(OC(F)(F)F)c2)CCc2sccc21 727975688 VMSCLUYHUYYSLH-DHZHZOJOSA-N 324.323 4.859 30 20 DJED CC/C=C(\C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 729888589 LOAYLCROGAYGSQ-DTHCKZEYSA-N 310.422 4.651 30 20 DJED COc1ccc(/C=C\C(=O)c2cc(C)sc2C)cc1Cl 741470704 HEOFXTNXLAPCJV-XQRVVYSFSA-N 306.814 4.923 30 20 DJED CCOc1ccc(C=NOc2ccccc2C(F)(F)F)cc1 754722415 DZRBQVDIUBSHCI-UHFFFAOYSA-N 309.287 4.517 30 20 DJED Cc1ccc2cc(C(=O)/C=C/c3ccc(C#N)cc3F)oc2c1 754830652 UITOOINYHIXYPI-VOTSOKGWSA-N 305.308 4.648 30 20 DJED C#CC[C@@H](NC(=O)Nc1cc(C)ccc1Cl)c1ccccc1 757900679 FSGIBQTVNQRKID-MRXNPFEDSA-N 312.800 4.535 30 20 DJED C=CCN(C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C)C(C)C 758910286 BPSGONMUDGYOKG-MRXNPFEDSA-N 324.415 4.658 30 20 DJED N#Cc1c(F)ccc(/C=C2\CCc3ccccc3C2=O)c1Cl 761475198 NLYMCRVBGAWDJI-UKTHLTGXSA-N 311.743 4.563 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)s1 762444095 XDVLUCDFAFNIHY-GORDUTHDSA-N 308.189 4.823 30 20 DJED N#C[C@H]1CCC[C@H](Nc2ccc(OCc3ccccc3F)cc2)C1 765941261 JRGTVEBJRTUQPU-YJBOKZPZSA-N 324.399 4.899 30 20 DJED CCCCC[C@@](C)(CC)C(=O)Nc1cccc(OCC#N)c1 780378009 VYIUJBLZYFQLCP-GOSISDBHSA-N 302.418 4.524 30 20 DJED O=C1/C(=C\c2cscc2Cl)CCOc2cc(F)ccc21 781556520 YRQXUMYCSGPQDS-UITAMQMPSA-N 308.761 4.589 30 20 DJED Cc1nn(C(C)C)cc1/C=C1\CC(C)(C)c2ccccc2C1=O 798370456 NEUBLDJRLSJAJW-XNTDXEJSSA-N 308.425 4.720 30 20 DJED Cc1cc(/C=C/C(=O)c2c(F)cccc2Cl)cnc1Cl 809159496 QJGZTAPYPWHUNQ-AATRIKPKSA-N 310.155 4.732 30 20 DJED COc1ccc(/C=C\C(=O)c2ccccc2OC(F)F)cc1C 810201504 ZYHJNHMHHPARMI-CLFYSBASSA-N 318.319 4.501 30 20 DJED CC(CCCCC#N)=NNC(=S)Nc1ccc(C(C)C)cc1 841606251 BJKQLMMISHIOEN-UHFFFAOYSA-N 316.474 4.556 30 20 DJED Clc1cccc([C@H]2CCC(=NOCc3cccnc3)C2)c1 841633351 OLPBXFNWOHDZBT-HNNXBMFYSA-N 300.789 4.575 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)n1 850874222 WLBBMESTZKBZCS-CTASWTNQSA-N 316.470 4.659 30 20 DJED CC[C@H](N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cccc(C#N)c1 902778816 IQCWFXFNQJTZTL-PCCBWWKXSA-N 320.436 4.519 30 20 DJED CC(=NNc1ccc(Cl)cc1)c1ccccc1Br 916246895 OIYFEOMIUPAALT-UHFFFAOYSA-N 323.621 4.939 30 20 DJED COc1ccc(Cl)cc1/C=C\C(=O)c1c[nH]c2ccccc12 917146257 XIIXDRGZRGEVST-VURMDHGXSA-N 311.768 4.726 30 20 DJED N#Cc1cccc(SCc2cnc(-c3ccccc3)s2)c1 1116262366 UGQOEQISBVPOLS-UHFFFAOYSA-N 308.431 4.974 30 20 DJED COc1cc(/C=C2/C(=O)c3ccsc3S[C@H]2C)ccc1F 1116374426 ZRERDFPZHCLKSY-SZUMLMDFSA-N 320.410 4.656 30 20 DJED N#Cc1ccccc1-c1ccccc1-c1nnc(-c2ccccc2)o1 1117158192 IOPASVDRQHKSOH-UHFFFAOYSA-N 323.355 4.942 30 20 DJED Cc1ccccc1C1(C(=O)Nc2ccc(Cl)c(C#N)c2)CCC1 1124652958 IQJIIUTUIRMCON-UHFFFAOYSA-N 324.811 4.581 30 20 DJED CN(CC1CCCCC1)c1c(C#N)cnc2c(Cl)cccc12 1162084341 SAGMZGFSQWBRDN-UHFFFAOYSA-N 313.832 4.776 30 20 DJED Cc1cc(Nc2snc(Cl)c2C#N)ccc1OC(C)C 1162550664 SQNUWVNGGHVCDT-UHFFFAOYSA-N 307.806 4.507 30 20 DJED Cc1cc(CN2C[C@H](C)C[C@@H]2c2ccccc2F)ccc1C#N 1179938422 URVBUROOPMJDNV-JLTOFOAXSA-N 308.400 4.589 30 20 DJED C=C(Cl)CN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 1193323710 ITEOCNDFGMHYJH-SNVBAGLBSA-N 317.660 4.651 30 20 DJED CCCN(CC1CCCCC1)C(=O)Nc1cccc(C#N)c1C 1201839004 JORIKYZCCJFNHW-UHFFFAOYSA-N 313.445 4.691 30 20 DJED CC(C)c1ccc(NC(=O)Nc2ccc(C#N)cc2Cl)cc1 1202917474 MGNWUFXYYJXTLP-UHFFFAOYSA-N 313.788 4.979 30 20 DJED Cc1ccnc(N[C@@H](CC2CCCC2)c2ccccc2)c1C#N 1307072551 QEMDCYOCMJMPOH-IBGZPJMESA-N 305.425 4.995 30 20 DJED C[C@H]1CCN(CCC2(C#N)CCCCC2)[C@@H](c2ccco2)C1 1307493346 JKVNPDLYCHVTNW-DLBZAZTESA-N 300.446 4.917 30 20 DJED Cc1c(C#N)cccc1NC(=O)N[C@@H](C)CCC1CCCCC1 1310418421 LSDVXWSLCXQJPQ-AWEZNQCLSA-N 313.445 4.737 30 20 DJED CCn1c(C(=O)OCCCCC(C)(C)C#N)cc2ccccc21 1343807679 QVVKBTJAFCGXDR-UHFFFAOYSA-N 312.413 4.538 30 20 DJED Cc1ccccc1[C@H](Nc1ccc(C#N)nn1)[C@H]1CCC[C@@H](C)C1 1458167977 AAGHHZHFZMGRDZ-PTSWNOGYSA-N 320.440 4.636 30 20 DJED CCC1(CC)CCN(c2c(C#N)cnc3c(Cl)cccc23)C1 1458239698 QEVXFCKJFXMPCN-UHFFFAOYSA-N 313.832 4.776 30 20 DJED Cc1cccc2cc(C(=O)Nc3cccc(CC#N)c3)sc12 1460141694 KXFFAQLWNDUMOG-UHFFFAOYSA-N 306.390 4.528 30 20 DJED CC(C)CCC[C@H](C)N(CCC(C)C)C(=O)NCC(C)(C)C#N 1469753136 LFHQQLUCVQWVQO-KRWDZBQOSA-N 323.525 4.809 30 20 DJED N#Cc1cccnc1N[C@H](c1cccc(Cl)c1)C1CCCC1 1472734390 GZFJGWYICNVWDG-KRWDZBQOSA-N 311.816 4.950 30 20 DJED CCc1ccc(CCN2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 1559555178 TZRWZNQJZBFQDU-FGZHOGPDSA-N 318.464 4.563 30 20 DJED CC(C)CCOc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1 1622711892 IWNFGYDOKHXCCS-UHFFFAOYSA-N 323.396 4.627 30 20 DJED Cc1nc(N(C)[C@@H](C)c2ccc(Cl)c(Cl)c2)ccc1C#N 1642154388 XWBREDWEKHWXRG-NSHDSACASA-N 320.223 4.766 30 20 DJED N#Cc1ccccc1OCCN(c1ccccc1F)C1CCCC1 1653647342 RLLOBUTZVYWHPJ-UHFFFAOYSA-N 324.399 4.525 30 20 DJED C=C(CNCc1ccc(-c2ccc(F)cc2)o1)c1ccccc1 1656350876 YLJIBGMFOWNSHH-UHFFFAOYSA-N 307.368 4.889 30 20 DJED Cc1cc(CN[C@H]2CCC[C@@H](c3ccccc3)C2)ccc1C#N 1657312910 RSHFQLCDTWBOEL-CTNGQTDRSA-N 304.437 4.683 30 20 DJED CCCN(Cc1cc(C#N)ccc1OC)c1ccc(Cl)cc1 1657664671 FLFPLKOQRVYVKI-UHFFFAOYSA-N 314.816 4.637 30 20 DJED CCC(CC)[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1 1665582247 LTUXTBSNDYFUPE-IBGZPJMESA-N 321.424 4.857 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1ccc(Cl)cc1F 43276091 SUWCGJNOQREVPV-UHFFFAOYSA-N 324.808 4.761 30 20 DJED C=CCOc1cccc(NC(=O)c2sccc2C(C)C)c1 55725201 SCNNILISFOJROI-UHFFFAOYSA-N 301.411 4.689 30 20 DJED C[C@H](c1ccc(Cl)cc1)N(CCCSCC#N)C1CC1 72515140 YSBPGYAPZYUMKD-CYBMUJFWSA-N 308.878 4.512 30 20 DJED N#Cc1cccc(Cl)c1N[C@@H]1CCO[C@@H](c2ccccc2)C1 160583932 AIHZOAURFHSPSS-NVXWUHKLSA-N 312.800 4.544 30 20 DJED C=CCCCC(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C 175406139 NTLHPGZFGIQYIY-CYBMUJFWSA-N 314.454 4.652 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(C)c(OC)c1C 193032119 YJPUSSDVDBJUKY-UHFFFAOYSA-N 324.424 4.532 30 20 DJED CCc1c([C@H](C)NCc2cccc(C#N)c2)oc2ccccc12 193871543 BRXPVOGEADKNEO-AWEZNQCLSA-N 304.393 4.718 30 20 DJED C[C@H](Cc1cccc(F)c1)Nc1cccc(OCCCC#N)c1 323367869 DINYRSNFZAHMOI-OAHLLOKOSA-N 312.388 4.551 30 20 DJED C[C@H](N[C@H]1CCCCC12CCCC2)c1ccc(OCC#N)cc1 324098727 IPYPDBFFLQNMNY-LPHOPBHVSA-N 312.457 4.743 30 20 DJED O/C(=N\C1(C/N=C(/O)C2CCCCC2)CCC1)C1CCCCC1 329108017 IFOJHITXJMRKBQ-UHFFFAOYSA-N 320.477 4.983 30 20 DJED CC(C)(C)[C@@H]1N=C(O)CC[C@H]1/N=C(/O)CCC1CCCCC1 329179770 DDKXLRAMXFXIKV-RHSMWYFYSA-N 308.466 4.837 30 20 DJED CCc1ccc2occ(C(=O)N(CCC#N)C(C)(C)CC)c2c1 343760134 SRRDHSODQNHVAJ-UHFFFAOYSA-N 312.413 4.540 30 20 DJED Cc1c([C@@H](C)Nc2ccc([N+](=O)[O-])cc2C#N)oc2ccccc12 391992102 AWHPNLRBJXJFLX-GFCCVEGCSA-N 321.336 4.694 30 20 DJED CC(C)(C#N)c1ccccc1CNC(C)(C)c1ccccc1F 429257406 RJYLNZGSCGPIQB-UHFFFAOYSA-N 310.416 4.652 30 20 DJED CC(C)(C#N)CCCC[S@](=O)Cc1ccccc1C1CC1 435424563 AMGLNNPBJRJXAG-NRFANRHFSA-N 303.471 4.533 30 20 DJED Cc1nc2ccccc2nc1CSCCCCC(C)(C)C#N 435884995 ZJLCTPCRHHYPRK-UHFFFAOYSA-N 313.470 4.892 30 20 DJED COC(=O)c1ccc(F)c(CSCCCCC(C)(C)C#N)c1 435889613 OYCCSBXKFFUTAS-UHFFFAOYSA-N 323.433 4.566 30 20 DJED CC(C)Cn1cc(N[C@H](C)c2cccc(C#N)c2)c(C(F)F)n1 435895360 YPJUYMSXMYZMEH-GFCCVEGCSA-N 318.371 4.521 30 20 DJED CC[C@H](C)C[C@H](C)NC(=O)c1ccccc1-c1ccccc1C#N 463912197 ZWJKXIPUSRCSFL-HOTGVXAUSA-N 320.436 4.780 30 20 DJED CC#CCCCC(=O)Nc1c(F)cc(F)cc1-c1ccccc1 464445558 XPVCYMMXVPCPGZ-UHFFFAOYSA-N 313.347 4.764 30 20 DJED C=CCSc1ccccc1C(=O)Nc1ccc2ccn(C)c2c1 468084309 AOOJURUPFBCEQJ-UHFFFAOYSA-N 322.433 4.709 30 20 DJED C=C(C)CSCc1nnc(-c2ccc(Cl)cc2Cl)o1 477001192 LFVWDJNHWDSEBX-UHFFFAOYSA-N 315.225 4.853 30 20 DJED C=C(C)CN(C)C(=O)c1csc(-c2ccc(C(C)C)cc2)n1 479309311 IHLFHRZBJHPEIV-UHFFFAOYSA-N 314.454 4.582 30 20 DJED CC(C)[C@H](C)C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 497808860 KHYITGNPIIOHPO-LBPRGKRZSA-N 324.449 4.616 30 20 DJED CC(C)(C)CN(CCCC1(C#N)CCOCC1)c1ccccc1 499641680 LLYLNJWARSVOHF-UHFFFAOYSA-N 314.473 4.640 30 20 DJED C=CCOc1cccc(NC(=O)N2CCCC23CCCCC3)c1 534776134 KTDPBCDFQXOTTN-UHFFFAOYSA-N 314.429 4.582 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc(F)cc1OCC)c1ccccc1 536244679 PKIMJBIZQFUXAP-AWEZNQCLSA-N 313.372 4.523 30 20 DJED C[C@H](NCc1cccc(Cl)c1Cl)c1cccc(C#N)c1 538397048 NQZCTKKKNXJIBU-NSHDSACASA-N 305.208 4.716 30 20 DJED CSc1ccc([C@H](C)Nc2ncc(C#N)cc2Cl)cc1 540995455 RKLQTSKNDBMRAJ-JTQLQIEISA-N 303.818 4.502 30 20 DJED CCC(C)(C)OCc1ccccc1NC(=O)c1cccc(C#N)c1 542566036 AROSVHVNUZDWQA-UHFFFAOYSA-N 322.408 4.516 30 20 DJED C=CCOc1ccc(CNc2cccc3cc[nH]c23)cc1Cl 548474688 LDRZLGNHFFDSGQ-UHFFFAOYSA-N 312.800 4.998 30 20 DJED N#Cc1cccc(C2(NCc3ccc(C4CCC4)cc3)CC2)c1 550170650 ACIPWZOHIQPUEC-UHFFFAOYSA-N 302.421 4.605 30 20 DJED CC[C@@H](N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(C#N)cc1 557330875 RWXJINRJRRCCSK-MISYRCLQSA-N 308.400 4.684 30 20 DJED N#Cc1ccc(Oc2ccc(NC(=O)C[C@@H]3C=CCC3)cc2)cc1 604457063 NYFUXISXCDCNPS-OAHLLOKOSA-N 318.376 4.645 30 20 DJED CCC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 610829703 FUCCEAPRHUNFHW-IFXJQAMLSA-N 323.396 4.658 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2NCc1c(Cl)oc2ccccc12 618741351 FECYEIUMGBZFBZ-QGZVFWFLSA-N 322.795 4.735 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2NCC1CCC(C(F)(F)F)CC1 618742514 ZAVZXRNBEONRBK-QOJXUVEWSA-N 322.374 4.504 30 20 DJED C=CC[C@H]1CCCN(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)C1 666553546 ORDVGMCGDPEJCN-HNNXBMFYSA-N 309.413 4.502 30 20 DJED C#Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)c1 731164976 VKHKTPSTUQJGQF-NHCUHLMSSA-N 311.384 4.563 30 20 DJED COc1ccc(OC(F)F)c(/C=C/C(=O)c2ccc(C)cc2)c1 732927095 YCCCIEGMHNYAJV-VQHVLOKHSA-N 318.319 4.501 30 20 DJED O=C1/C(=C/c2cccc(C(F)(F)F)c2)Cc2cc(F)ccc21 734305551 XAYJJGYNGSFKQO-WUXMJOGZSA-N 306.258 4.667 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C/c3ccc(C)c(F)c3)c2c1 734306911 IVMFOIUYCVQHPH-VMPITWQZSA-N 309.340 4.520 30 20 DJED CCOc1cccc(/C=C/C(=O)c2ccc(SC)c(F)c2)c1 741846276 BIAGWIOSFZGATK-VQHVLOKHSA-N 316.397 4.842 30 20 DJED Fc1cc(F)c(C=NOc2ccccc2C(F)(F)F)cc1F 754711816 BWQZYUOHRPRYOR-UHFFFAOYSA-N 319.204 4.536 30 20 DJED C#CCOc1ccc([C@@H](C)N[C@H](CC)c2ccc(OC)cc2)cc1 764615030 KVCJASOGJYSKJA-IIBYNOLFSA-N 323.436 4.509 30 20 DJED CC12CC3(C)CC(C)(C1)CC(C(=O)[C@@H](C#N)c1ccccn1)(C2)C3 773977233 VKVVFDNSDWUPMG-GSEWJITGSA-N 322.452 4.645 30 20 DJED CC(C)[C@H](C(=O)OCCCC(C)(C)C#N)c1cccc(Cl)c1 784016922 RLWABPRUHIMHII-INIZCTEOSA-N 321.848 4.953 30 20 DJED C[C@H](C=NNc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 788991227 HTFDGDXFKIZSQK-GFCCVEGCSA-N 317.314 4.778 30 20 DJED CC(C)Sc1cccc(Cl)c1C=NNCCC(F)(F)F 794553601 UWGXBGHTPJDATC-UHFFFAOYSA-N 324.799 4.716 30 20 DJED N#Cc1c(Cl)nsc1N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 795273920 JNXKOWBVDCOUNL-ZYHUDNBSSA-N 321.808 4.555 30 20 DJED N#C[C@H](C(=O)C1(C2CCCCC2)CCCCC1)c1ccccn1 796632679 NACDQUVELPMWLO-KRWDZBQOSA-N 310.441 4.789 30 20 DJED CCCCCCCCCC(=O)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 811951894 QNRISLUEBIQTAC-MJGOQNOKSA-N 321.505 4.687 30 20 DJED Cc1ccc2c(C)cc(NN=C3CCC[C@@H](C#N)C3)nc2c1C 814769460 PGTNDIBTHXHDLB-OAHLLOKOSA-N 306.413 4.642 30 20 DJED N#CCCSc1ccccc1NCC[C@H]1CC1(Cl)Cl 819069749 XLWSJPALPNMHIR-NSHDSACASA-N 315.269 4.688 30 20 DJED COc1cc2c(cc1NC(=O)C#CC(C)(C)C)oc1ccccc12 837319084 DXSXKGFBHQQSMO-UHFFFAOYSA-N 321.376 4.583 30 20 DJED CCCC(C)(C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 845451668 OWUAODTZDVGPGY-NSHDSACASA-N 320.845 4.952 30 20 DJED C#CCC(C)(C)c1nc(-c2cccc(Oc3ccccc3)c2)no1 904590924 GUNLBRYOGHOAKM-UHFFFAOYSA-N 318.376 4.830 30 20 DJED CCCOc1ccc(/C=C\C(=O)c2ccc(OC)cc2F)cc1 916141124 AVXYJYGNSYUQBY-WDZFZDKYSA-N 314.356 4.519 30 20 DJED O=C(O)c1cc(NN=Cc2ccc3ccccc3c2)ccc1Cl 916259820 QXXFYEWQARIVEC-UHFFFAOYSA-N 324.767 4.637 30 20 DJED C[C@H](NN=Cc1csc(-c2ccsc2)n1)c1ccccc1 920382355 GFNQWBYDYKTCMF-LBPRGKRZSA-N 313.451 4.556 30 20 DJED CC(C)(C#N)C(=O)Nc1ccc(Oc2ccccc2)c(Cl)c1 1134454883 IGBHSDRQWMPLDV-UHFFFAOYSA-N 314.772 4.621 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C[C@H]1C[C@H]1c1ccccc1 1204803781 QUKZRSGPIJALKF-RTWAWAEBSA-N 304.437 4.574 30 20 DJED Cc1c(C#N)cccc1C(=O)N1CCCC(C)(C)c2ccccc21 1266834970 KLTIZVNJNFRPAY-UHFFFAOYSA-N 318.420 4.585 30 20 DJED C[C@H]1CCCC[C@H]1CNc1c(C#N)cnc2c(Cl)cccc12 1306951782 RVTPDYYKGVIUFH-STQMWFEESA-N 313.832 4.998 30 20 DJED C=C(Br)CNC(CC)(CC)c1ccc(Cl)cc1 1307531466 KBQIJUKNYSIAJG-UHFFFAOYSA-N 316.670 4.854 30 20 DJED CC(C)(C)C1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 1307685579 DRPNXGUIUOPOKE-UHFFFAOYSA-N 320.864 4.500 30 20 DJED Cc1cccc(CC[C@@H](C)NCc2ccc(C#N)c(Cl)c2)c1 1308713230 HPUUXKIZJQHUDL-OAHLLOKOSA-N 312.844 4.631 30 20 DJED C[C@@H](CCCc1ccccc1)c1nnc(-c2cccc(C#N)c2)o1 1322342408 BTCQYLGQWZVAHR-HNNXBMFYSA-N 317.392 4.735 30 20 DJED CCC[C@@H]1CCC[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 1353332736 FYNLLRIGZSTOOD-MOPGFXCFSA-N 312.457 4.512 30 20 DJED N#Cc1cc(F)ccc1CN1C[C@@H]2CCCC[C@@]21c1ccccc1 1459678367 XYGNSCLGXAIOIK-PZJWPPBQSA-N 320.411 4.599 30 20 DJED Cc1nc(N2CCCC[C@H]2c2ccccc2)c(Cl)cc1C#N 1472750880 QAGJEFQOWOWANC-KRWDZBQOSA-N 311.816 4.647 30 20 DJED COc1cc(C#N)ccc1CN1CCC[C@@H]1CCC1CCCC1 1473279714 CZRRQUWMICOHRP-LJQANCHMSA-N 312.457 4.502 30 20 DJED CCC[C@H](CC1CCCCC1)C(=O)N1CCc2cc(C#N)ccc21 1584800209 LIWVNULCRBKPIR-LJQANCHMSA-N 324.468 4.834 30 20 DJED N#Cc1ccc(Br)c(CSCC2CCCC2)c1 1641474678 MUAWJUXHTMGKME-UHFFFAOYSA-N 310.260 4.744 30 20 DJED CCc1nc(C#N)cc(Nc2ccc(SC(C)(C)C)cc2)n1 1642185771 KSWJRXASJPHLIL-UHFFFAOYSA-N 312.442 4.545 30 20 DJED Cc1ccccc1[C@H](CC(C)C)NCCc1ccc(C#N)cc1 1642514534 NLVWTNRDJNLLQC-NRFANRHFSA-N 306.453 4.786 30 20 DJED COCC1(CSc2nc(-c3ccccc3)ccc2C#N)CCC1 1651813077 OWDOQFLKBNRPTA-UHFFFAOYSA-N 324.449 4.529 30 20 DJED CCN(Cc1cccc(Oc2ccc(F)cc2)c1)C[C@H](C)C#N 1651960442 RNTDPRVWMFXAEO-OAHLLOKOSA-N 312.388 4.600 30 20 DJED N#Cc1nc(Sc2ccc(F)c(Cl)c2)sc1Cl 1654904858 IHVRNZYNWYYGQV-UHFFFAOYSA-N 305.186 4.612 30 20 DJED Cc1ccc(-n2c(S[C@H](C#N)C3CC3)nc3ccccc32)cc1 1656089630 OEBXHMHKXIOQLN-GOSISDBHSA-N 319.433 4.728 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1cc(F)ccc1Cl 1656984335 GJXQZIFMXDEGIM-UHFFFAOYSA-N 316.807 4.763 30 20 DJED Cc1ccc(CNc2cccc(C#N)c2C)cc1Br 1657458525 JXGJHZKQFRXSGC-UHFFFAOYSA-N 315.214 4.550 30 20 DJED CC(C)(C)c1ccc(C(=O)/C=C\c2cc(C(=O)O)cs2)cc1 1776120261 ZQOGEUQMZNTNSV-HJWRWDBZSA-N 314.406 4.640 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1nc2ccccc2s1 52825596 RIDDJVNWFUUQOG-UHFFFAOYSA-N 321.449 4.580 30 20 DJED C=C(C)CSc1nnc(-c2ccco2)n1C1CCCCC1 57652454 FIRGDWRRYCUOIE-UHFFFAOYSA-N 303.431 4.712 30 20 DJED Cc1ccc(Cl)cc1NC(=O)c1cccc(SCC#N)c1 79382208 BBBFSHDDPHBJSG-UHFFFAOYSA-N 316.813 4.516 30 20 DJED C=CCCC(=O)Nc1ccc(Br)c(Cl)c1Cl 183637557 DTXLMBPXWSBGAE-UHFFFAOYSA-N 323.017 4.661 30 20 DJED C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1Cl 192079953 HTLFUPUDQPIYIO-JTQLQIEISA-N 323.198 4.855 30 20 DJED CC(C)COc1cccc(N[C@H](C)c2ccc(OCC#N)cc2)c1 193903485 SAFQTBHNEKTSFQ-MRXNPFEDSA-N 324.424 4.797 30 20 DJED COc1cccc(C(=O)/C=C/c2cnc(-c3ccccc3)s2)c1 303168102 QSZUFPFRCOYTPT-ZHACJKMWSA-N 321.401 4.715 30 20 DJED CCCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 319880993 UQONBWMYGQXBOR-JKSUJKDBSA-N 308.425 4.759 30 20 DJED C[C@@H]1CCCC[C@@H]1C/N=C(/O)C1CCC(/N=C(/O)C2CC2)CC1 330028404 OLVOIUWDJJMMBP-FDVNEVKMSA-N 320.477 4.695 30 20 DJED C[C@H](C#N)Oc1ccccc1N[C@@H]1CCC[C@@H](c2cccnc2)C1 369216928 WCGKZTDPRHSJFY-JFIYKMOQSA-N 321.424 4.511 30 20 DJED C=C(C)C(C)(C)C(=O)Nc1ccc(CNc2ccccc2)cc1 425196201 TWZGNSSNGVTTJA-UHFFFAOYSA-N 308.425 4.840 30 20 DJED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(Cl)ccc1Cl 435664785 NVGZRNUUDGLBBS-MKBNYLNASA-N 314.256 4.625 30 20 DJED C=CCN(CC=C)C(=O)Nc1ccc(-c2ccccc2)c(C)c1 460242213 KASCZBLYTPLAFZ-UHFFFAOYSA-N 306.409 4.868 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)N[C@H]2CCCCC2(C)C)cc1 466517593 VXFJKLBLBIIUOW-INIZCTEOSA-N 313.445 4.578 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)CCCCCc1cccs1 471172054 DUVPROHKBGEIEF-UHFFFAOYSA-N 320.502 4.782 30 20 DJED C=CCN(CC1CCCCC1)C(=O)N[C@H](C)c1cc(C)oc1C 483917682 RLXIGHZAHMVHAT-OAHLLOKOSA-N 318.461 4.735 30 20 DJED CC1CC(C#N)(C(=O)Nc2ccc(SC3CCCC3)cc2)C1 533265237 GUHOQFMFQMRWMC-UHFFFAOYSA-N 314.454 4.600 30 20 DJED CC[C@H](CC(=O)N(Cc1ccc(C#N)cc1)CC(C)C)C(C)C 609168335 DIOYMPKIWHUYAI-LJQANCHMSA-N 314.473 4.615 30 20 DJED CC(C)C[C@H](C(=O)N[C@H](C)c1cccc(C#N)c1)c1ccccc1 610363516 XVGYZSIXJFZFIY-UZLBHIALSA-N 320.436 4.565 30 20 DJED N#Cc1ccc(CN[C@@H]2CCc3cc(Cl)ccc32)cc1Cl 619755481 YRLDXFIMGIXANO-QGZVFWFLSA-N 317.219 4.642 30 20 DJED Cc1cc(C(=O)/C=C/c2nc(-c3ccccc3)cs2)ccc1O 728232872 XLNGVDKYCQJPAQ-MDZDMXLPSA-N 321.401 4.720 30 20 DJED C/C(=C\C(=O)N(CCC#N)CCC(C)C)c1ccccc1Cl 728870984 DAKBUEMPICCGAM-FYWRMAATSA-N 318.848 4.532 30 20 DJED CCCc1ccc(CNCc2cccc(O[C@H](C#N)CC)c2)cc1 733800454 SREXRSPGCQLFRO-FQEVSTJZSA-N 322.452 4.610 30 20 DJED COc1ccc(/C=C2\Cc3c(Cl)cccc3C2=O)cc1Cl 741468462 TUCDFUSPHAOOSF-YRNVUSSQSA-N 319.187 4.824 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(SC)c(F)c2)cc1F 741846585 HDIPXDYFBDRDPH-UTCJRWHESA-N 320.360 4.591 30 20 DJED C=CCNC(=S)Nc1ccc(SC2CCCCC2)cc1C 748157888 NQFBCIBVOCEXIW-UHFFFAOYSA-N 320.527 4.892 30 20 DJED CCCCCCCC(=O)N[C@H](C)Cc1nc2ccccc2s1 751112722 DEISCUMZBBUZJW-CQSZACIVSA-N 318.486 4.704 30 20 DJED Clc1csc(C=NN(c2ccccc2)c2ccccc2)n1 758089424 JXRYZICHNMYIHX-UHFFFAOYSA-N 313.813 4.969 30 20 DJED COc1cc(F)cc(NN=Cc2c(Cl)cccc2Cl)c1 759209283 DQISJWCQNUDLDE-UHFFFAOYSA-N 313.159 4.587 30 20 DJED Cc1ccccc1[C@H](CC(F)(F)F)/N=C\c1ccccc1O 766283028 GGFWTGAISUPVMS-SYZMQFJCSA-N 307.315 4.813 30 20 DJED Cc1ccc(/C=C\C(=O)c2cnn(C(C)C)c2C)cc1Cl 766492138 VFTGHPHFJWSWLU-FPLPWBNLSA-N 302.805 4.630 30 20 DJED CC(CCCCN(C)C)=NNc1c(Cl)cc(F)cc1Cl 781128963 YUKTYVJSMBQJIV-UHFFFAOYSA-N 320.239 4.652 30 20 DJED C[C@H](C#N)Oc1ccccc1N[C@@H]1CC[C@@](C)(c2ccccc2)C1 783291805 WRQZZEIHHIUHDR-HGHGUNKESA-N 320.436 4.900 30 20 DJED CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)OCCCCC(C)(C)C#N 786352121 PMTPFMAVHYVTPF-IKGGRYGDSA-N 323.477 4.624 30 20 DJED O=C(/C=C/C=C\c1ccccc1[N+](=O)[O-])c1csc(Cl)c1 787185707 IXASGQOAAXPEBT-VKDZAETISA-N 319.769 4.762 30 20 DJED C=CCC(C)(C)C(=O)OCc1csc(-c2ccc(F)cc2)n1 796462239 HSPRFLAWGWKESE-UHFFFAOYSA-N 319.401 4.595 30 20 DJED CC(C)(CCC#N)COC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 798878319 ROVFJTMOLPKTAC-MOPGFXCFSA-N 321.420 4.816 30 20 DJED c1ccc(C[C@@H]2CCC(=NNc3nccnc3C3CCC3)C2)cc1 814932280 VKCVUQYUBXISBL-INIZCTEOSA-N 320.440 4.555 30 20 DJED CC(=NNc1ccc(C)cc1Cl)c1c(C)nn(C(C)C)c1C 835011314 INKGNGOZEQCXFN-UHFFFAOYSA-N 318.852 4.879 30 20 DJED C=C[C@@H](CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1)c1ccccc1 842940661 HWJNGKLDRUSDDI-XJKSGUPXSA-N 322.433 4.557 30 20 DJED N#Cc1ccc(NCc2cc(Cl)cc(Br)c2)cc1 863997378 WSUSPFJRYLRYRY-UHFFFAOYSA-N 321.605 4.586 30 20 DJED CC(=NNc1ccc(C(F)(F)F)cn1)c1ccc(Cl)s1 915917540 FYZYMRHXWOOELX-UHFFFAOYSA-N 319.739 4.651 30 20 DJED C[C@@H]1C[C@H](CC(=O)N(CCC#N)CC(C)(C)C)CC(C)(C)C1 1125955323 KWGXVZFAKXMXFL-HZPDHXFCSA-N 306.494 4.627 30 20 DJED C[C@H](NCc1cc(C#N)cs1)C1(c2ccccc2)CCCC1 1178509437 JLCHIHYQVUDJBN-HNNXBMFYSA-N 310.466 4.610 30 20 DJED CC(C)(Cc1ccc(Cl)cc1)C(=O)O[C@H]1CCC[C@@H](C#N)C1 1275463529 JIRGVVUUSRCGMX-ZBFHGGJFSA-N 319.832 4.534 30 20 DJED CCC[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)C1CCCC1 1275597292 PGQKIXFGXCEABS-MOPGFXCFSA-N 312.457 4.549 30 20 DJED Cc1cc(C#N)nc(N[C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)n1 1307099959 CBQHJCMBHWVTFC-GOSISDBHSA-N 322.456 4.763 30 20 DJED CC(C)CCc1ccc(NC(=O)c2ccc(C#N)cc2F)cc1 1351863132 OVRXTYXFDIDCAB-UHFFFAOYSA-N 310.372 4.538 30 20 DJED CCCC[C@H](C(=O)Nc1sc2c(c1C#N)CCCC2)C(C)C 1352478159 UXQCGEPQMNGPBF-ZDUSSCGKSA-N 318.486 4.899 30 20 DJED CC(C)(C)C[C@@H](NC(=O)c1cc(C#N)ccc1F)c1ccccc1 1355047142 FMHQJFAHRAYHFG-GOSISDBHSA-N 324.399 4.605 30 20 DJED CC(C)(C)[C@H]1CCCC[C@@H]1CNCc1ccc(C#N)cc1F 1461131320 OKAIIVJKAKCLGK-WBVHZDCISA-N 302.437 4.639 30 20 DJED C[C@@H]1CCC[C@H](OCc2cccc(Nc3ncccc3C#N)c2)C1 1472675270 SVVZDTSLRCXIQM-BEFAXECRSA-N 321.424 4.792 30 20 DJED C[C@H](OC(=O)CCc1ccc(C#N)cc1)c1ccc(Cl)s1 1520160618 UHBWMDLUGWQJFZ-NSHDSACASA-N 319.813 4.510 30 20 DJED CCCCN(C(=O)c1cc(C#N)ccc1F)[C@H]1CCC[C@@H](C)C1 1527352109 RMKJSGJWRJBGFS-ZBFHGGJFSA-N 316.420 4.518 30 20 DJED Cc1c(C#N)cccc1NC(=O)C1CCC(c2ccccc2)CC1 1534738356 OBKHMRZVNPYCFT-UHFFFAOYSA-N 318.420 4.779 30 20 DJED Cc1cc(N2CCCCC[C@@H]2/C=C\c2ccccc2)ncc1C#N 1559161901 PMKNJTSNDOTJSL-ZCPJJFRWSA-N 317.436 4.724 30 20 DJED CCC(CC)[C@@H](NCCc1ccc(C#N)cc1)c1cccs1 1559692310 DXVUPVSFGFARPG-LJQANCHMSA-N 312.482 4.929 30 20 DJED CCC[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@@H](C)CC2 1595892012 NJAHJMSCSYUJKR-UMSGYPCISA-N 316.470 4.680 30 20 DJED C[C@H]1C[C@@H](CCNc2c(C#N)nnc3ccccc23)CC(C)(C)C1 1612322218 YKRNOZDTXLPBPS-LSDHHAIUSA-N 322.456 4.766 30 20 DJED Cc1ccccc1[C@@H](Nc1cncc(C#N)n1)C1CCC(C)CC1 1640112251 NRZJAHRUYISRBF-SGHGTVFPSA-N 320.440 4.636 30 20 DJED Cc1ccccc1[C@@H](CC(C)C)NCCc1ccc(C#N)cc1 1642514535 NLVWTNRDJNLLQC-OAQYLSRUSA-N 306.453 4.786 30 20 DJED CC(C)(C)C[C@H](Nc1cc(C#N)ncn1)c1ccc(Cl)cc1 1650806079 KVLDHAZUFLSATP-HNNXBMFYSA-N 314.820 4.591 30 20 DJED Cc1ccc([C@@H]2CCC[C@@H]2N(C)Cc2ccc(C#N)cc2C)cc1 1652575628 PHPIVGCZMDAEIW-VXKWHMMOSA-N 318.464 4.943 30 20 DJED CC[C@H](C)N(CCc1ccccc1F)Cc1ccc(C#N)cc1C 1653245192 PWCSIFIBNKQXQZ-KRWDZBQOSA-N 324.443 4.849 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1cc(F)ccc1Cl 1653972994 SMVJLBGCADWYHH-GFCCVEGCSA-N 302.780 4.544 30 20 DJED C[C@H]1CN(CCC2(C#N)CCCCC2)c2cccc(Cl)c2O1 1654400794 FYJWBIBMYITPAI-AWEZNQCLSA-N 318.848 4.791 30 20 DJED CC(C)CCC1CCN(Cc2ccc(Cl)cc2C#N)CC1 1657577348 SOQXNTTZXYJDRL-UHFFFAOYSA-N 304.865 4.860 30 20 DJED COc1ccc(/C=C/C(=O)c2sc(C(C)(C)C)nc2C)cc1 58776433 IMGVEDYKZVIZEI-DHZHZOJOSA-N 315.438 4.654 30 20 DJED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(CC)cc1 62373308 UQOYOZRPEZSXCR-UHFFFAOYSA-N 308.425 4.512 30 20 DJED C=CCCO[C@@H](C)c1nc(-c2c(Cl)cccc2Cl)no1 109487305 WHYWSECTLQMIIN-VIFPVBQESA-N 313.184 4.697 30 20 DJED CCc1cccc(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 217184249 OQAMUISTTYQSBA-UHFFFAOYSA-N 307.397 4.694 30 20 DJED Cc1nc(-c2ccccc2)sc1[C@@H](C)NCCC(C)(C)C#N 273301343 NCZXYSPGYSATLR-CYBMUJFWSA-N 313.470 4.709 30 20 DJED C=CCCO[C@@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 281230656 SCLSBPIBOACAOC-QMMMGPOBSA-N 322.619 4.567 30 20 DJED C[C@H](Nc1c(F)cc(C#N)cc1F)c1cccc(OC(F)F)c1 301131832 ZOYLZDKCJFCJFJ-VIFPVBQESA-N 324.277 4.611 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](c2ccccc2)CC1 303690166 LVDRMOZUDJDWKI-UWJYYQICSA-N 304.437 4.889 30 20 DJED O/C(Cc1coc(-c2ccccc2)n1)=N/[C@@H]1CC12CCCCC2 329134341 ZQBFQJWHWIZJBE-MRXNPFEDSA-N 310.397 4.563 30 20 DJED CN(CC(C)(C)C#N)C(=O)Nc1ccc2c(c1)oc1ccccc12 432657876 MQFXIUFMPDBIPN-UHFFFAOYSA-N 321.380 4.599 30 20 DJED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CCCC(C)(C)[C@@H]1C#N 434018784 SFDLRWUVLRTMMC-RYRKJORJSA-N 324.468 4.517 30 20 DJED C=CCC[C@H](NC(=O)N[C@@H]1CCCc2occc21)c1ccccc1 434987967 WXUYNSQSZILLCO-ZWKOTPCHSA-N 324.424 4.664 30 20 DJED C=CCSc1ccccc1C(=O)Nc1ccsc1Cl 438565007 AXIRJLAZJKSKIA-UHFFFAOYSA-N 309.843 4.932 30 20 DJED C=CCCCCCNc1cccc2c1CN(c1ccccn1)C2 447406670 WIDZXHKPFXGKAU-UHFFFAOYSA-N 307.441 4.760 30 20 DJED CC1(C)CCC(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 494893881 XSBGIYWZWUOKJN-MOPGFXCFSA-N 324.468 4.501 30 20 DJED C=CC[C@@H](C)N[C@@H](c1ccc(Br)cc1)c1ccco1 498795299 OETJGYXSRAJKTA-WBMJQRKESA-N 320.230 4.686 30 20 DJED CC(C)[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1 503853764 FGKULZSMNFWZHV-YJYMSZOUSA-N 314.379 4.884 30 20 DJED N#Cc1c(F)cccc1N1CCC[C@@H]1c1ccc(Cl)cc1 506825315 QBAQEZJSTPLULC-MRXNPFEDSA-N 300.764 4.692 30 20 DJED CC1(C)CC[C@H](C(=O)N(Cc2ccco2)c2ccccc2C#N)C1 514127972 BDQRIMBTNCXAEQ-HNNXBMFYSA-N 322.408 4.511 30 20 DJED CSc1ccc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 537620283 QANYZPQQQJBADH-WOJBJXKFSA-N 322.477 4.680 30 20 DJED N#Cc1cccc(N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)n1 548986255 DWXUGXGLCHYIRU-MRXNPFEDSA-N 317.314 4.535 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@](C)(CC)CCC 553114964 ZQNDZCUJNNTLNQ-LJQANCHMSA-N 319.493 4.585 30 20 DJED C=C[C@H](CC(=O)N1C[C@H](C)C[C@H]1c1ccccc1)c1ccccc1 557736130 IUGVHVFHOJUOFR-OPYAIIAOSA-N 319.448 4.956 30 20 DJED C[C@@H](c1ccccc1)N(C(=O)CCCCCC#N)c1ccccn1 602419482 BURAWUMZZBFDMZ-KRWDZBQOSA-N 321.424 4.650 30 20 DJED CCCc1ccc([C@H](NCc2cccc(C#N)c2)C(C)C)cc1 611568173 PAXOSASQAFWSOI-OAQYLSRUSA-N 306.453 4.998 30 20 DJED C=CC[C@@H]1N(C(=O)c2cccc(-c3cnco3)c2)CCCC1(C)C 614054154 CBFZFWQVFFSWQL-SFHVURJKSA-N 324.424 4.549 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccccc1CCC 642489494 PMQMDIFBSMSBTM-UHFFFAOYSA-N 308.425 4.859 30 20 DJED C=C[C@H](CC(=O)N[C@@H](C)c1ccc(F)cc1F)c1ccccc1 677504146 PMNVNOISBPAYJY-UONOGXRCSA-N 315.363 4.502 30 20 DJED CC(C)(C)Sc1ccc(NC(=O)C2(C#N)CCCC2)cc1 726761509 ZAPXJWYDBWWVTN-UHFFFAOYSA-N 302.443 4.600 30 20 DJED CCOc1ccc(O)c(C=Nc2cccc(SC(F)F)c2)c1 727264549 WGRZDECDJJDBJA-UHFFFAOYSA-N 323.364 4.856 30 20 DJED O=C(/C=C\c1cc(F)c(F)c(F)c1)c1cc2ccccc2o1 727976250 OKPKLIJKFRUYNG-WAYWQWQTSA-N 302.251 4.746 30 20 DJED N#Cc1cccc(/C=C\C(=O)c2ccc(SC(F)F)cc2)c1 734981372 QIBSHJHBYDUELS-WTKPLQERSA-N 315.344 4.769 30 20 DJED N#Cc1csc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)c1 748439396 PPWDFZTYBWZJPU-RQOWECAXSA-N 308.189 4.823 30 20 DJED C#Cc1cccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)c1 750716091 GHSJSQHWUSSWQE-UHFFFAOYSA-N 318.203 4.546 30 20 DJED C=CC[C@H](NC(=O)c1ccc([C@@H](C)CC)cc1)c1ccncc1 755322455 WRSGFLZKVQHROU-KXBFYZLASA-N 308.425 4.642 30 20 DJED C#CC[C@H](NC(=S)Nc1ccc(C(C)C)cc1)c1ccccc1 756855306 IEVFRBBVGHFHAY-IBGZPJMESA-N 322.477 4.861 30 20 DJED Cc1cc(/C=C/C(=O)c2c(C)[nH]c3ccccc23)cnc1Cl 760265056 VFBPCERIBOWNMA-BQYQJAHWSA-N 310.784 4.729 30 20 DJED CCCCCCCCCCC(=O)N1CCC2(CCCN2C)CC1 761161006 RGEKVVSUBAETFJ-UHFFFAOYSA-N 322.537 4.604 30 20 DJED CCO[C@H](C/N=C\c1c(O)ccc2ccccc12)c1ccccc1 772154658 KUISXCKOUMQCGB-NBOCOGBRSA-N 319.404 4.742 30 20 DJED C#CCCCCC(=O)N(Cc1ccccc1)[C@@H](C)c1ccccc1 773290167 FRTWFQPYVTYKGS-IBGZPJMESA-N 319.448 4.970 30 20 DJED N#CC1(C(=O)OCc2cccc(Cl)c2Cl)CCCCC1 773403961 SNZGXNNUHQXHIS-UHFFFAOYSA-N 312.196 4.511 30 20 DJED Cc1ccc(N[C@@H](C)c2ccc(C#N)c(F)c2)c2cccnc12 777622057 SMOMLBDNYUCPSU-ZDUSSCGKSA-N 305.356 4.727 30 20 DJED Cc1cccc(CC[C@@H](C)Nc2ccccc2O[C@H](C)C#N)c1 780742972 DDUMLUSNCXIADQ-IAGOWNOFSA-N 308.425 4.719 30 20 DJED CC(C)Sc1ccc(C(=O)OCCCC(C)(C)C#N)cc1 783073133 GLEWFQLGZBXDNJ-UHFFFAOYSA-N 305.443 4.674 30 20 DJED C[C@H](c1ccccc1)c1ccc(OC(=O)CC(C)(C)C#N)cc1 783282988 CGVYEPUGVRTEKF-OAHLLOKOSA-N 307.393 4.684 30 20 DJED C[C@@H](CC(=O)OCCCC(C)(C)C#N)Cc1ccc(Cl)cc1 784517884 OWHUNRPARDIZER-CQSZACIVSA-N 321.848 4.782 30 20 DJED CCc1ccc(C(=O)/C=C\c2cnc(-c3ccco3)s2)s1 789131095 SYIRGQICZOZEIQ-ALCCZGGFSA-N 315.419 4.923 30 20 DJED N#C[C@H](C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)c1nc2ccccc2o1 796818580 OXOXQNZIETWJCU-CAOSSQGBSA-N 322.408 4.611 30 20 DJED CC1(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)CCCCCC1 797566905 BSWPOHAYQXAOSY-CYBMUJFWSA-N 318.486 4.977 30 20 DJED CC(=NNc1nc(-c2ccccc2)cs1)c1ccccc1C#N 814769520 REZDOLCJXALTGM-UHFFFAOYSA-N 318.405 4.518 30 20 DJED CC(C)[C@H](Cc1ccccc1)NN=C1CCC[C@@H]1C(C)(C)C#N 814906798 KHYXQBILEAGKJZ-HKUYNNGSSA-N 311.473 4.549 30 20 DJED N#C[C@H](C(=O)CCCC1CCCC1)c1nc(C2CC2)cs1 842942385 YCXQYYCDSDIJIB-CQSZACIVSA-N 302.443 4.557 30 20 DJED CC(C)C(=NNc1ccc(C(C)(C)C)nn1)C1CCCCC1 1116090290 MTYCEARVSRMJFU-UHFFFAOYSA-N 302.466 4.778 30 20 DJED CC1(C)CC(C(=O)OCc2cc(C#N)ccc2F)CC(C)(C)C1 1126843387 GTKRZLQCAJVEHR-UHFFFAOYSA-N 317.404 4.593 30 20 DJED Cc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c(C)c1 1129478475 STDYVHFHAYQSQP-UHFFFAOYSA-N 312.438 4.786 30 20 DJED N#CCc1ccc(COc2ccc(SC(F)(F)F)cc2)cc1 1166150468 UBERXVSSAZPRSD-UHFFFAOYSA-N 323.339 4.944 30 20 DJED C[C@H](Cc1ccccc1Cl)N[C@@H](CCC#N)c1ccccc1 1254996297 JWIOAXGZCQVTSW-BEFAXECRSA-N 312.844 4.906 30 20 DJED Cc1ccc(C[C@@H]2CCCN(Cc3ccc(C#N)cc3C)C2)cc1 1307441337 DAIZQAVVGPEQHC-NRFANRHFSA-N 318.464 4.630 30 20 DJED CCC[C@H](CC(C)C)C(=O)Nc1cc(C#N)ccc1OC(F)F 1358497850 ZBYXXVKADWOKQF-CYBMUJFWSA-N 324.371 4.561 30 20 DJED C[C@H](C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@H](C)CC2)C1CCC1 1436547786 UANSWDBCFLJRAS-UTUOFQBUSA-N 316.470 4.680 30 20 DJED Cc1ccc([C@@H]2[C@@H](C)CCCN2c2ccc(C#N)c(C)n2)cc1 1458210871 GIGQRVABJZHSSB-YWZLYKJASA-N 305.425 4.548 30 20 DJED Cc1ccc(C#N)cc1C(=O)N1CCCc2cc(C(C)C)ccc21 1514667653 UTPBZDXHPUYLNT-UHFFFAOYSA-N 318.420 4.583 30 20 DJED C[C@H]1CCc2sc(NC(=O)C3CC(C)(C)C3)c(C#N)c2[C@@H]1C 1524031079 RVHFXVORHIWHGF-WDEREUQCSA-N 316.470 4.680 30 20 DJED CCC(CC)C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@@H](C)CC2 1544833474 VXQYWZAYXKEDLV-WDEREUQCSA-N 304.459 4.680 30 20 DJED CC(C)(C#N)CCN(CCc1ccc(Cl)cc1)CC1CC1 1653361163 ZORSOYDMKKUTKG-UHFFFAOYSA-N 304.865 4.534 30 20 DJED Cc1ccnc(N2CC3(CCCCC3)[C@@H]2c2ccccc2)c1C#N 1655547835 YPKBAKSCYDQZPT-IBGZPJMESA-N 317.436 4.774 30 20 DJED CC(C)(C)C[C@H]1CCN(Cc2cccc(F)c2C#N)C1(C)C 1658327908 SPGDTIUDUWSBLF-OAHLLOKOSA-N 302.437 4.734 30 20 DJED CCCc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)s1 1662681259 JYQYVGDNUXUNTN-IBGZPJMESA-N 310.466 4.739 30 20 DJED Cc1cc(C#N)cc(NC(=O)N(CCC(C)C)CCC(C)C)c1 1672775280 JDVOCOHHEKFGAT-UHFFFAOYSA-N 315.461 4.793 30 20 DJED CCCCCC[C@@H]1CCCC1=NNc1cccc(C(=O)O)c1 1776036841 CPNXLQGDXIHWPO-CQSZACIVSA-N 302.418 4.923 30 20 DJED CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OC 16407505 ALVKAYKCULNTFC-JXMROGBWSA-N 310.393 4.607 30 20 DJED CC(C)(CCC#N)CNc1ccc(-c2cn3c(n2)CCCC3)cc1 122078817 AFSBMPLGZGHVHV-UHFFFAOYSA-N 322.456 4.628 30 20 DJED O=C(/C=C\c1cccc(-c2cccnc2)c1)c1ccccc1F 255312569 RIMAZBOQORGQFK-KHPPLWFESA-N 303.336 4.784 30 20 DJED O=C(/C=C\c1cncs1)c1cc2c(ccc3ccccc32)o1 255774829 QKNLOLNTUJZSLP-SREVYHEPSA-N 305.358 4.939 30 20 DJED CC(C)(C#N)CCCCSCc1nc(-c2cccs2)no1 278061587 ZAOGQEWAMWQXRA-UHFFFAOYSA-N 321.471 4.751 30 20 DJED C=CCC[C@H](N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccco1 286026351 IYLYEMPBNHNGHX-CMKODMSKSA-N 311.425 4.797 30 20 DJED CC(C)c1ccoc1C(=O)Nc1sc(C(C)(C)C)cc1C#N 411007416 NJXADVJBXPLKOQ-UHFFFAOYSA-N 316.426 4.886 30 20 DJED N#Cc1ccc2c(c1)[C@@H](N[C@H](CC(F)F)c1ccccc1)CC2 421880579 QNCXCHAPGKYUIP-ZWKOTPCHSA-N 312.363 4.532 30 20 DJED C=CCC[C@H](NCCc1coc(-c2ccc(C)cc2)n1)C1CC1 439004001 QOXZNOUJUKWBOK-IBGZPJMESA-N 310.441 4.527 30 20 DJED N#Cc1ccccc1Oc1ncnc2sc3ccccc3c12 440645614 JKKDEVNVKITFHV-UHFFFAOYSA-N 303.346 4.508 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(CSCC)cc1 455875112 ALSOQMTUBKPWER-MRXNPFEDSA-N 304.459 4.512 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1cc(Br)ccc1Cl 468000523 PDKPXNKWNHGEDA-CYBMUJFWSA-N 316.626 4.643 30 20 DJED CCN(C(=O)C[C@H](CC#N)c1ccccc1)c1cc(C)ccc1C 475025463 WVNCJGYBDJKXFP-IBGZPJMESA-N 320.436 4.744 30 20 DJED C=CCC[C@@H](C(=O)N1Cc2ccc(C)cc2C1)c1ccccc1 482842125 ZAODFKVXMIWMIO-HXUWFJFHSA-N 305.421 4.587 30 20 DJED C=CCOc1cccc(CN[C@H](C)c2ccccc2SC)c1 500392982 JZUJMLIIBIEBPS-OAHLLOKOSA-N 313.466 4.824 30 20 DJED C[C@H](c1ccc(F)c(F)c1)N1CC=C(c2ccc(C#N)cc2)CC1 502507384 NBIFXQUDNQWVPT-CQSZACIVSA-N 324.374 4.687 30 20 DJED C=CCCC(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 510898048 XJJARAYYINEYPF-UHFFFAOYSA-N 310.224 4.575 30 20 DJED Cc1ccc([C@H]2CCCN2c2ccc(C#N)c(Cl)c2)s1 513744814 PTATWCNZNGGHIS-OAHLLOKOSA-N 302.830 4.923 30 20 DJED C[C@@H]1CCC[C@@H](c2noc(C[C@@H](CC#N)c3ccccc3)n2)C1 516892385 JGACKXIZZGSJET-DJIMGWMZSA-N 309.413 4.603 30 20 DJED N#Cc1ccc(F)c(CSCCOc2ccccc2Cl)c1 521558105 QSTNSDIYLVRYSQ-UHFFFAOYSA-N 321.804 4.663 30 20 DJED C[C@H](Nc1cn(C)nc1C1CCCCC1)c1cccc(C#N)c1 521973070 HJFAKYCIFQHMLD-AWEZNQCLSA-N 308.429 4.513 30 20 DJED C[C@@H](c1ccccc1Cl)N(C(=O)CCCCCC#N)C1CC1 588850670 IJGCBAFYYDXZEQ-AWEZNQCLSA-N 318.848 4.866 30 20 DJED C[C@@H](C#N)CSc1ccccc1N[C@@H](C)c1cccc(C#N)c1 600847546 VDRNUWNOQNJVCW-GJZGRUSLSA-N 321.449 4.983 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Cc1cc2ccccc2o1 601687171 JZCHXFSBXMMQEH-UHFFFAOYSA-N 311.425 4.570 30 20 DJED C=CCN(C(=O)c1csc(-c2ccccc2Cl)n1)C(C)C 727304921 RNCJVKXZUYCJLO-UHFFFAOYSA-N 320.845 4.500 30 20 DJED CC(=NNc1ncc(Cl)cc1Cl)c1ccc(C)c(C)c1O 728156996 PZOZRMALAVZYSG-UHFFFAOYSA-N 324.211 4.547 30 20 DJED C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H](C)CCC)c1 733103529 GGRVHVMGLFFTNF-HNNXBMFYSA-N 311.450 4.699 30 20 DJED CC(C)CCOc1ccc(/C=C/C(=O)c2cncc(F)c2)cc1 737443114 GOCYNKGGMMHPKD-VMPITWQZSA-N 313.372 4.542 30 20 DJED O=C(/C=C\c1ccc(-c2ccccc2)o1)c1ccc2c(c1)COC2 742436079 FVQDWUWYESGGTL-NTMALXAHSA-N 316.356 4.873 30 20 DJED CC(C)(C#N)CCCCOC(=O)c1cccc(C(F)(F)F)c1 768372321 JMIRIWFEVOXZQZ-UHFFFAOYSA-N 313.319 4.582 30 20 DJED C=CC[C@H]1N(C(=O)Nc2cc(C)cnc2Cl)CCCC1(C)C 772432550 LAXRMOYAFIJTPB-CQSZACIVSA-N 321.852 4.642 30 20 DJED N#C[C@@H](C(=O)C1=CCCCCC1)c1nc2cc(F)ccc2s1 774070844 ANFIZEDBRYNIKR-ZDUSSCGKSA-N 314.385 4.502 30 20 DJED C#CCCCCCC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 779984740 UXAYYIXLURPBOJ-NRFANRHFSA-N 323.411 4.615 30 20 DJED N#Cc1ccc(NN=C2CC(c3cccc(F)c3)C2)cc1Cl 783877547 LVBIPEAECJJYRX-UHFFFAOYSA-N 313.763 4.696 30 20 DJED C[C@H](NCc1ccc(C#N)cc1)[C@@H]1C[C@H]1c1ccc(Cl)s1 788577496 PZQZULHOFBOJNC-TUKIKUTGSA-N 316.857 4.555 30 20 DJED CC(=NNc1cc(Cl)cc(Cl)c1)c1ccc(C#N)s1 790211432 LMGJDCVYCKFYTD-UHFFFAOYSA-N 310.209 4.763 30 20 DJED C=C(C)CN(Cc1ccccc1)Cc1ccc(O[C@@H](C)C#N)cc1 793223067 BNQZJSFJJYOEEI-SFHVURJKSA-N 320.436 4.556 30 20 DJED C[C@H](ON=Cc1ccccc1C(F)(F)F)c1cccc(C#N)c1 794714376 OWFIJFAHCOEHPD-LBPRGKRZSA-N 318.298 4.689 30 20 DJED C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1cccc(F)c1 795984404 XSWVJDAIGGYQSW-WMLDXEAASA-N 311.356 4.517 30 20 DJED CC(C)C(=O)Nc1cccc(OCCCCC2(C#N)CCC2)c1 902712830 BYFLNAVSVUVRIF-UHFFFAOYSA-N 314.429 4.524 30 20 DJED CC[C@@H](N[C@H](C)c1nc2ccccc2s1)c1cccc(C#N)c1 902804052 MIGJHSXGMYFJER-CZUORRHYSA-N 321.449 4.970 30 20 DJED C=CCN(C(=O)CCOc1ccccc1-c1ccccc1)C(C)C 915155092 AMTNQCVRFCDYFZ-UHFFFAOYSA-N 323.436 4.546 30 20 DJED C=C1CN(C(=O)Nc2ccc(O[C@H](C)c3ccccc3)cc2C)C1 930181781 KDFAZQQTUMIMAL-MRXNPFEDSA-N 322.408 4.539 30 20 DJED N#CCOc1cccc(CN[C@H](CC2CCC2)c2ccccc2)c1 1116476596 RALCVGWIIBRBHD-OAQYLSRUSA-N 320.436 4.610 30 20 DJED CC(=NNc1ccc(C)c(Cl)c1)c1cnn(C(C)(C)C)c1C 1116742342 OFOXNZJBDILAET-UHFFFAOYSA-N 318.852 4.744 30 20 DJED Cc1ccnc(NC[C@H](c2ccc(Cl)cc2)C(C)C)c1C#N 1163243095 WYQAEBFZKSGZKM-KRWDZBQOSA-N 313.832 4.767 30 20 DJED N#Cc1ccccc1COc1ccc(Cl)c(Br)c1 1166202600 QAMPPOBQPNRGOR-UHFFFAOYSA-N 322.589 4.553 30 20 DJED Cc1ccc([C@@H](C)CNc2nc(C(C)(C)C)ccc2C#N)cc1 1185429653 LREOMDIZBCRECF-HNNXBMFYSA-N 307.441 4.775 30 20 DJED C[C@H](CC(C)(C)c1ccccc1)Nc1ccc(Cl)c(C#N)n1 1306946243 JMFWQCJORGJXLF-CYBMUJFWSA-N 313.832 4.775 30 20 DJED C=CCOc1ccccc1CN[C@H]1C[C@H](C)c2c(C)ccc(O)c21 1321025052 WQTFGFFHVOOGQT-RDJZCZTQSA-N 323.436 4.604 30 20 DJED N#CC1(c2nnc(-c3ccc4ccccc4c3)o2)CCCCC1 1326514457 PVOKUCQCHYYBCT-UHFFFAOYSA-N 303.365 4.615 30 20 DJED C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCC(C)(C)C3)c2C#N)C1 1348101843 ZXEAATRUEYRKOA-VXGBXAGGSA-N 316.470 4.509 30 20 DJED Cc1ccc2oc(C(=O)O[C@H](C)c3ccc(C#N)cc3)cc2c1 1457190457 IRFHQELNELUIQI-CYBMUJFWSA-N 305.333 4.531 30 20 DJED CCOc1ccc(C#N)cc1N[C@H](C)[C@@H](C)c1ccc(OC)cc1 1462069674 FWAVBXBOWWMOMO-HUUCEWRRSA-N 324.424 4.570 30 20 DJED Cc1c([C@@H](C)OC(=O)c2ccc(F)c(C#N)c2)oc2ccccc12 1521900872 JDGNIFJTXKJOLQ-GFCCVEGCSA-N 323.323 4.670 30 20 DJED CN(C(=O)CC1(C#N)CCCCC1)c1ccc(C(C)(C)C)cc1 1534792342 KZJBIOLPSKOUIH-UHFFFAOYSA-N 312.457 4.811 30 20 DJED CC(C)c1ccc([C@@H]2CCCCN2c2ncc(C#N)cc2F)cc1 1559157696 SXOLFMQCWOPBSC-IBGZPJMESA-N 323.415 4.947 30 20 DJED N#Cc1ccnc(SCCc2cc(Cl)cc(Cl)c2)c1 1559359856 WXLXXGRQRGWHCO-UHFFFAOYSA-N 309.221 4.595 30 20 DJED C=C(CNC(=O)N[C@H](c1ccccc1)C1CCC1)c1ccccc1 1631267922 FFAOAQXJLYMXEU-HXUWFJFHSA-N 320.436 4.540 30 20 DJED CCC[C@@H](CC)S[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 1641106518 UDTNXCWOWNDHLB-BXUZGUMPSA-N 324.877 4.851 30 20 DJED Cc1ccc([C@H]2[C@H](C)CCCN2c2nccc(C)c2C#N)cc1 1642334914 RPYDXKWQYDUPTH-VQIMIIECSA-N 305.425 4.548 30 20 DJED CCN(Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCCC[C@H]1C 1642722238 OBPQPQKKBHEGFF-RHSMWYFYSA-N 320.864 4.643 30 20 DJED COc1cc(C#N)ccc1OCc1c(C)c(C)c(C)c(C)c1C 1643361823 UTNGEOPBYVWTJZ-UHFFFAOYSA-N 309.409 4.688 30 20 DJED CCCN(CC1CCCCC1)c1ncc(Cl)c(C)c1C#N 1651415478 HXYUICJIDGFSDI-UHFFFAOYSA-N 305.853 4.712 30 20 DJED C[C@H](Sc1cccnc1C#N)c1ccc(Br)cc1 1651983705 DEFJEBISPKSWLM-JTQLQIEISA-N 319.227 4.569 30 20 DJED C[C@@H](Cc1ccc(Cl)cc1)NCc1ccc(C#N)c(Cl)c1 1657885772 CIRUDMRHPFHKQP-LBPRGKRZSA-N 319.235 4.586 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cc(F)cc(Cl)c1 1658402358 FSPPYRJXVINGOF-LBPRGKRZSA-N 302.780 4.544 30 20 DJED Cc1cc(CN2CCC[C@]2(C)Cc2ccc(F)cc2)ccc1C#N 1659485578 ZNCQVWVSOPVOBE-OAQYLSRUSA-N 322.427 4.603 30 20 DJED CCC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C#N)cc1Cl 1659884438 YNZOSLGCPVBEGE-ZFWWWQNUSA-N 319.836 4.692 30 20 DJED O=C(O)c1ccc2scc(/C=C/C(=O)c3ccsc3)c2c1 1777684059 SROXNTUWXKLTRW-HNQUOIGGSA-N 314.387 4.557 30 20 DJED CC(C)c1ccccc1NC(=O)CSCc1ccc(C#N)cc1 46804852 VCFNAUPIGYENIZ-UHFFFAOYSA-N 324.449 4.554 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(SC2CCCCC2)n1 64368046 HVYGAFHSHUXOFV-UHFFFAOYSA-N 300.349 4.705 30 20 DJED O=C(/C=C\c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 98053750 LNEZTKUQRMMYTN-WTKPLQERSA-N 321.254 4.510 30 20 DJED C=CCCC(=O)N(Cc1cccs1)c1ccc(F)cc1F 102235157 SIRQXMDVXJNMQX-UHFFFAOYSA-N 307.365 4.526 30 20 DJED C[C@@H](NCc1cnc(C2CCCC2)s1)c1ccc(C#N)cc1 135848166 HJFFOQISUGYGRY-CYBMUJFWSA-N 311.454 4.523 30 20 DJED CC(C)CC1(C(=O)Nc2cccc(OCCCC#N)c2)CCC1 156355295 XXLMQYUJUHYMHX-UHFFFAOYSA-N 314.429 4.524 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)C1C[C@H](C)O[C@@H](C)C1 189907608 RJIJFLIKMKSGFA-GJZGRUSLSA-N 315.457 4.681 30 20 DJED C[C@H](NCc1ccc(C#N)cc1)c1cc(Cl)sc1Cl 222044414 FMVSYICCQWFSIF-VIFPVBQESA-N 311.237 4.777 30 20 DJED CC(C)c1ccc(-c2nnc(SCCC(C)(C)C#N)o2)cc1 266263797 WFOZRIFCAWGTJF-UHFFFAOYSA-N 315.442 4.892 30 20 DJED CCc1ccc(Nc2ccc(C#N)c(Br)c2)cc1C 311361907 BOVNITKQCYFLLB-UHFFFAOYSA-N 315.214 4.935 30 20 DJED CC[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1cccc(Cl)c1 315504264 YMHMLTPEKAGOHR-AWEZNQCLSA-N 315.760 4.683 30 20 DJED Cc1ccc2[nH]c(CN[C@H](CCC#N)c3ccccc3)cc2c1C 349644219 HIZAMFXWGJSORG-HXUWFJFHSA-N 317.436 4.919 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCCc1ccccc1F 432331113 JDPNCJTZXULYFW-CQSZACIVSA-N 314.429 4.875 30 20 DJED C=CCN(Cc1cc2c(F)cccc2[nH]1)Cc1cccs1 437592329 RGAQTWMZWAYKHO-UHFFFAOYSA-N 300.402 4.557 30 20 DJED C[C@H](NCCc1c(Cl)cccc1Cl)c1ccc(C#N)cc1 439561916 PJTFFKZZOBQJCD-LBPRGKRZSA-N 319.235 4.758 30 20 DJED Cc1ccsc1CCCC(=O)Nc1ccc(C#N)cc1Cl 439983201 YPECDTUBHAGSHN-UHFFFAOYSA-N 318.829 4.543 30 20 DJED N#CC[C@@H]1CC[C@H](NC2CC(c3ccc(C(F)(F)F)cc3)C2)C1 449447530 ZPNHJNQBAPDPKG-OKKATSDQSA-N 322.374 4.623 30 20 DJED C=C[C@H](CC(=O)NCc1c(C)oc2ccccc12)c1ccccc1 466611723 VPWDWGNWVHZGBJ-MRXNPFEDSA-N 319.404 4.717 30 20 DJED Cc1csc(-c2cccc(NCc3ccc(C#N)c(F)c3)c2)n1 479454612 QIRBMTBWVZOYJB-UHFFFAOYSA-N 323.396 4.741 30 20 DJED CCc1ccc(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 502402458 YEURNENAEHQOFU-UHFFFAOYSA-N 307.397 4.694 30 20 DJED Cc1ccc(NCc2cccc(OCCCC#N)c2)cc1Cl 532732921 MQWQPBXFSHJDSE-UHFFFAOYSA-N 314.816 4.943 30 20 DJED CCN(C(=O)[C@@H]1CCCC(C)(C)C1)[C@H](C)c1ccc(C#N)cc1 534388196 PGDTVWXYAPCOFQ-CRAIPNDOSA-N 312.457 4.684 30 20 DJED C=CCC[C@H](NCC(=O)Nc1ccc(C)cc1C)c1ccccc1 539295579 UKQDZOKLDWMKQJ-FQEVSTJZSA-N 322.452 4.539 30 20 DJED C=CCC[C@@H](CC)Nc1cccc2c1CN(c1nccs1)C2 547312948 RZDMBYVJRBMBGK-OAHLLOKOSA-N 313.470 4.820 30 20 DJED Cc1ccccc1C(C)(C)NCc1cccc(OCCCC#N)c1 550263822 XUWHJNCLYSYZJV-UHFFFAOYSA-N 322.452 4.703 30 20 DJED C=CCn1c(SCCC(C)(C)C)nnc1-c1ccoc1C 551017303 IFIHDPYCGWOJQD-UHFFFAOYSA-N 305.447 4.561 30 20 DJED CC(C)(CCC#N)CNC(=O)c1ccccc1Oc1ccccc1 554662131 KIOJAQKZPQERGC-UHFFFAOYSA-N 322.408 4.539 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1cccc(Br)c1Cl 566393850 AFDWIJGZBMWXKD-ZDUSSCGKSA-N 316.626 4.643 30 20 DJED C=CCC[C@H](N[C@@H]1CCOC2(CCCCC2)C1)c1ccco1 576287255 FPEGELYAZVOBGH-SJORKVTESA-N 303.446 4.758 30 20 DJED C=CCCCSCC(=O)Nc1ccc(Cl)c(Cl)c1 609805223 WLWVEZCZEGSTQS-UHFFFAOYSA-N 304.242 4.631 30 20 DJED COc1cccc2cc([C@@H](C)N[C@@H](C)c3cccc(C#N)c3)oc12 611438531 MQRJCSFYLZIYCZ-UONOGXRCSA-N 320.392 4.725 30 20 DJED C=CCN(C(=O)C(CC)CC)c1nc(-c2ccccc2)cs1 641902349 UVWJINZQLWTWHB-UHFFFAOYSA-N 314.454 4.765 30 20 DJED C=CC[C@H](NCc1ccc(-c2ccc(F)cc2)o1)c1ccncc1 734510821 ZURNTOTVBBSZQF-IBGZPJMESA-N 322.383 4.888 30 20 DJED CC(C)(C)c1ncc(/C=C2\Oc3c(Cl)cccc3C2=O)s1 736434241 RDNFCTOMSACEEQ-GHXNOFRVSA-N 319.813 4.710 30 20 DJED O=C1/C(=C/c2nccc3ccccc23)Cc2c(Cl)cccc21 740765307 WAKNIFLQVZSAKK-ACCUITESSA-N 305.764 4.711 30 20 DJED CCc1ccccc1NC(=S)N[C@H](CCC#N)c1ccccc1 747711252 ZGIPRAQIFSOEQF-GOSISDBHSA-N 323.465 4.580 30 20 DJED N#Cc1csc(/C=C/C(=O)c2ccc3c4c(cccc24)CC3)c1 748440183 JDJPDBABBMLSTB-VQHVLOKHSA-N 315.397 4.768 30 20 DJED COc1ccc(/C=C\C(=O)c2ccsc2)cc1OCC(C)C 749102595 VQIFHCNXUKLCQU-XQRVVYSFSA-N 316.422 4.688 30 20 DJED Cc1nn(Cc2ccccc2)c(C)c1/C=C\C(=O)c1ccsc1 749104344 JJUHGZNDCTWOOG-HJWRWDBZSA-N 322.433 4.506 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C1\CC[C@@H](C)C1 753570490 BXUWFCXPRQXFCE-GMCKNXKJSA-N 309.862 4.663 30 20 DJED CC[C@@H](C)c1ccc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc1 756221861 GSDBEXVJZIZQBZ-CJNGLKHVSA-N 317.392 4.566 30 20 DJED Cc1c(C(=O)/C=C\c2ccc(Cl)s2)cccc1[N+](=O)[O-] 756786958 LMRAORKNRYLOCP-ALCCZGGFSA-N 307.758 4.514 30 20 DJED CC(=NNc1ncnc2ccsc12)c1oc2ccccc2c1C 764834393 FJFNURLOFJMKFP-UHFFFAOYSA-N 322.393 4.582 30 20 DJED O=C(/C=C\c1c(OC(F)F)ccc2ccccc12)c1ccco1 769770988 KLOOJRLEFYDTTH-HJWRWDBZSA-N 314.287 4.930 30 20 DJED C[C@H](Nc1cnn(-c2ccccc2Cl)c1)c1cccc(C#N)c1 777265389 MNSTVSQDFPQYHG-ZDUSSCGKSA-N 322.799 4.570 30 20 DJED Cc1ncccc1/C=C1/CCc2[nH]c3ccc(Cl)cc3c2C1=O 790603043 IQMDYRBMACBSEI-LCYFTJDESA-N 322.795 4.737 30 20 DJED C=CC[C@@H](OC(=O)C(C)(C)C#N)c1ccc(Cl)c(Cl)c1 797553818 LGHLMISCYOBKMY-CYBMUJFWSA-N 312.196 4.704 30 20 DJED Cc1ccc(C)c([C@@H]2CCCN2c2nc(Cl)c(C#N)s2)c1 804553729 AORLNLFHBXYHCD-ZDUSSCGKSA-N 317.845 4.627 30 20 DJED CSCc1cnc(/C=C2\CCc3ccc(C)cc3C2=O)s1 834430655 UYWJPIPBRDTKFR-MDWZMJQESA-N 315.463 4.527 30 20 DJED Br/C(C=NOCc1ccccc1)=C/c1ccccc1 839418360 NBUHRTXCTIJGTN-SERWPDBLSA-N 316.198 4.625 30 20 DJED CCc1c(C(C)=NNc2ccc(C#N)cc2)oc2ccccc12 915961626 IAPQKBACDDGSEM-UHFFFAOYSA-N 303.365 4.703 30 20 DJED CCc1oc2ccccc2c1C=NNc1cc(F)cc(F)c1 920374955 NVANCSOASUKLOU-UHFFFAOYSA-N 300.308 4.719 30 20 DJED CCCCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CCC[C@@H](C)C1 1129417698 WPLBEGXJDBPZCJ-RHSMWYFYSA-N 316.420 4.518 30 20 DJED Cc1cc(N2CCC[C@@H](CCCc3ccccc3)C2)ncc1C#N 1162862348 USEMBCHCRDSRSJ-LJQANCHMSA-N 319.452 4.501 30 20 DJED N#Cc1ccc(C2CCN(Cc3cccc4ccoc34)CC2)cc1 1184045063 ISBTXHOIGHQAEF-UHFFFAOYSA-N 316.404 4.684 30 20 DJED CC(C)(C)c1cc(Oc2nccnc2C#N)cc(C(C)(C)C)c1 1184562570 BCWSOOXRUZPUPC-UHFFFAOYSA-N 309.413 4.736 30 20 DJED COc1cc(CN(CC(C)C)c2ccc(C#N)cc2)ccc1C 1307552441 UHKMQOWOSAYHSC-UHFFFAOYSA-N 308.425 4.538 30 20 DJED Cc1ccc([C@@H]2[C@H](C)CCCN2Cc2ccc(C#N)cc2F)cc1 1308588455 OPRULEALTGSCKW-IERDGZPVSA-N 322.427 4.979 30 20 DJED N#C[C@H]1CCC[C@@H](OC(=O)c2cc3c(s2)CCCCCC3)C1 1436650253 WXGRIFMGPYZXHV-DZGCQCFKSA-N 317.454 4.646 30 20 DJED CC[C@H](OC(=O)c1csc(C#N)c1)C(C)(C)c1ccccc1 1456619564 ZWUTVJYAIWQWBR-INIZCTEOSA-N 313.422 4.533 30 20 DJED Cc1ccc(CCCN(Cc2ccc(C#N)cc2)C(C)C)cc1 1459389455 HZHFBZSPEJXYFG-UHFFFAOYSA-N 306.453 4.710 30 20 DJED CCOc1ccc(C#N)cc1N[C@@H](C)[C@@H](C)c1ccc(OC)cc1 1462069669 FWAVBXBOWWMOMO-CABCVRRESA-N 324.424 4.570 30 20 DJED N#Cc1cccc(N[C@H](c2ccc(F)cc2)C2CCCCC2)n1 1472855027 PBENJEGFAWJLFZ-IBGZPJMESA-N 309.388 4.826 30 20 DJED CCC1(NCc2cc(C#N)ccc2Br)CCCCC1 1474154109 OGAQQTTTYKZKJC-UHFFFAOYSA-N 321.262 4.523 30 20 DJED CC(C)(CCCc1ccccc1)C(=O)Nc1ccc(C#N)c(F)c1 1535016501 VKADUGDIKXLSRY-UHFFFAOYSA-N 324.399 4.685 30 20 DJED Cc1cccc(C(=O)Nc2cc3ccccc3cc2C#N)c1Cl 1584892760 XGLZTTHFXBVLEQ-UHFFFAOYSA-N 320.779 4.926 30 20 DJED C[C@H]1C[C@@H](C)C[C@H](C(=O)Nc2cc3ccccc3cc2C#N)C1 1597220985 IRGPIRHLKSAQOZ-HALDLXJZSA-N 306.409 4.722 30 20 DJED CC(C)CN(Cc1cc(O)ccc1Cl)c1ccc(C#N)cc1 1616014266 YQSWXKKWHQSJQO-UHFFFAOYSA-N 314.816 4.580 30 20 DJED Cc1nc(N[C@@H](C)Cc2ccc(Cl)cc2Cl)ccc1C#N 1639399908 ZHBGAQAHUHZQJT-JTQLQIEISA-N 320.223 4.612 30 20 DJED Cc1cc(N[C@@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)ncc1C#N 1640025992 XGIRUZUMGSODIX-UCLAIMLFSA-N 305.425 4.646 30 20 DJED C[C@@H]1c2cc(F)cc(F)c2CCN1CCC1(C#N)CCCCC1 1642273371 NIJSULJHKYXWAK-CQSZACIVSA-N 318.411 4.748 30 20 DJED Cc1ccnc(N[C@H](c2ccc(F)cc2F)C(C)(C)C)c1C#N 1642441643 NRVNFVXUGBOVBE-MRXNPFEDSA-N 315.367 4.739 30 20 DJED CCOc1cccc2cc([C@H](C)Nc3cc(C)c(C#N)cn3)oc12 1651318967 SRADYUDVFYZEFB-ZDUSSCGKSA-N 321.380 4.580 30 20 DJED N#Cc1cccc(SCc2ccc(OCC(F)(F)F)cc2)c1 1652689016 OLUGQDLVMFNFSK-UHFFFAOYSA-N 323.339 4.792 30 20 DJED Cc1nc(N(C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)ccc1C#N 1655231827 MKXNAAZVGXGKRC-OCCSQVGLSA-N 313.832 4.544 30 20 DJED Cc1cc(N[C@@H](CCC#N)c2ccccc2)nc(C2CCC2)n1 1655297595 XGIMLYJQALTSDQ-KRWDZBQOSA-N 306.413 4.510 30 20 DJED CC(C)(CC1CCCCCC1)NCc1ccc(C#N)cc1F 1657181779 QEXMAQJIFGXVLY-UHFFFAOYSA-N 302.437 4.926 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1ccc2occc2c1 1658086089 FLEIAUNMHVQQJM-UHFFFAOYSA-N 306.365 4.704 30 20 DJED CCCC1CCC(N(C)C(=O)Nc2cc(F)cc(C#N)c2)CC1 1672410958 YUUYRTTYDPHMHI-UHFFFAOYSA-N 317.408 4.520 30 20 DJED C=C(Cl)Cn1c([C@H](C)CC)nnc1N(CC)C1CCCCC1 1760365571 CAYMZPYXGQVKKK-CYBMUJFWSA-N 324.900 4.703 30 20 DJED C=CCc1ccccc1CNc1ccc([C@@H](C)CC(=O)O)cc1 1776188625 BBFOFSLJRRCAAT-HNNXBMFYSA-N 309.409 4.605 30 20 DJED CC[C@@H](C)c1ccc(/C=C\C(=O)c2ccc(CC(=O)O)cc2)cc1 1776698202 HXLVYSFAXVXUDH-JEMSNHSXSA-N 322.404 4.723 30 20 DJED N#Cc1cccc(CN[C@@H](c2ccc(F)cc2)c2cccs2)c1 53098839 REJQQTOIRTYWEP-IBGZPJMESA-N 322.408 4.638 30 20 DJED N#Cc1ccc(CNc2cc(Br)ccc2Cl)cc1 61690777 DCCBIZUMPNZMLC-UHFFFAOYSA-N 321.605 4.586 30 20 DJED C[C@H](NC[C@H](C#N)CCC#N)c1ccccc1Oc1ccccc1 112540701 IPKPULJDEPAKBU-IRXDYDNUSA-N 319.408 4.573 30 20 DJED Cc1cc(Cl)ccc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 155815198 CMBYYBMMODREJY-ZDUSSCGKSA-N 318.829 4.718 30 20 DJED N#CCCCOc1cccc(NCc2coc3ccccc23)c1 159819482 KEHIQJKLMFUAGJ-UHFFFAOYSA-N 306.365 4.727 30 20 DJED C=CC[C@H](CC)N[C@@H](C)c1sc(-c2cccnc2)nc1C 281451589 DIMOOKJLQTVPSA-WFASDCNBSA-N 301.459 4.519 30 20 DJED N#Cc1ccc(NC(=O)c2cccc3ccsc23)c(Cl)c1 386225646 KXIAHJBHYLHJBO-UHFFFAOYSA-N 312.781 4.679 30 20 DJED Cc1cc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)sc1C 430641261 INLNDBVAXRAEPD-LLVKDONJSA-N 318.467 4.609 30 20 DJED C=C(C)COc1cccc(NC(=O)N2CC(C)(C)[C@@H]2C(C)C)c1 432841111 SOCVARBOQKYKQB-KRWDZBQOSA-N 316.445 4.540 30 20 DJED N#CC1CCC(CNc2ncnc3sc4ccccc4c23)CC1 440677519 VSXBZWMWLZFMIQ-UHFFFAOYSA-N 322.437 4.586 30 20 DJED COc1ccc(C2CCN([C@@H](C)c3cccc(C#N)c3)CC2)cc1 442681865 ILTYMAKMGUTLBV-INIZCTEOSA-N 320.436 4.507 30 20 DJED C=CCOc1ccc(CNc2ccc3ccoc3c2)cc1OC 443013734 MIFQOBGWSGMDBM-UHFFFAOYSA-N 309.365 4.618 30 20 DJED Cc1c(-c2noc(C3(C#N)CCCCC3)n2)oc2ccccc12 445506456 RDZZBULIQCHXLT-UHFFFAOYSA-N 307.353 4.517 30 20 DJED CC[C@H](NCc1coc(-c2cccs2)n1)c1ccc(C#N)cc1 447527088 DZVZMAXHOHNHGB-INIZCTEOSA-N 323.421 4.516 30 20 DJED CC(C)(C)c1cnc(CNc2ccc(Cl)c(C#N)c2)s1 447968126 XYHRBKPCZBJCFS-UHFFFAOYSA-N 305.834 4.578 30 20 DJED Cc1ccccc1[C@H](C)c1noc([C@H](C)c2cccc(C#N)c2)n1 463062848 ZNSLBRLDMDKTFY-CABCVRRESA-N 317.392 4.553 30 20 DJED N#CCCCSCCOC(c1ccccc1)c1ccccc1 479509491 JDJOCJUICYCUDK-UHFFFAOYSA-N 311.450 4.830 30 20 DJED Cc1sc(NC(=O)[C@@H](C)c2cc3ccccc3o2)c(C#N)c1C 482563279 YLFTUYAIKXMTKD-NSHDSACASA-N 324.405 4.725 30 20 DJED N#Cc1cccnc1/C=C\c1ccc(Cl)c(C(F)(F)F)c1 486074347 JOFAJKCQUQHJMN-XQRVVYSFSA-N 308.690 4.796 30 20 DJED CCC[C@@H](CC1CCCC1)C(=O)N[C@H](C)c1ccc(C#N)cc1 499415561 RIMHZGAELGDIJN-BEFAXECRSA-N 312.457 4.732 30 20 DJED C=CCOc1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)cc1 506633358 PMBHRHDXCHGOLW-LJQANCHMSA-N 313.828 4.682 30 20 DJED N#Cc1c(F)cccc1N1CCC[C@@H]1c1cccc(Cl)c1 506879407 WAWBAKKLPTWTFS-MRXNPFEDSA-N 300.764 4.692 30 20 DJED C=C1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 520831894 VMNAQOZIMBSXRN-UHFFFAOYSA-N 307.422 4.515 30 20 DJED C=CCN(CC=C)C(=O)c1cc(C)c(-c2ccc(F)cc2)s1 523955565 XZPDNFMZWPMHCU-UHFFFAOYSA-N 315.413 4.677 30 20 DJED CCC1(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 542000019 IUVVUKKGJVEXPL-HNNXBMFYSA-N 318.420 4.593 30 20 DJED C[C@@H](Nc1ccc(Cl)cc1OC(F)F)c1ccc(C#N)cc1 545160444 RFQWFPYLJMYJGM-SNVBAGLBSA-N 322.742 4.986 30 20 DJED N#Cc1ccc(CN[C@@H](c2ccccc2)C(F)(F)F)cc1Cl 589727894 PUZGRQVOQMHZBL-HNNXBMFYSA-N 324.733 4.605 30 20 DJED CC(C)(C#N)CCCCN1CCC2(C=Cc3ccccc3O2)CC1 595876858 DRGCCJXGQKJDKU-UHFFFAOYSA-N 324.468 4.647 30 20 DJED N#CC1(CC(=O)Nc2ccc(-c3ccccn3)cc2)CCCCC1 598844689 PQTDZEINYAYTMJ-UHFFFAOYSA-N 319.408 4.551 30 20 DJED CN(CC#N)Cc1ccc(Oc2cccc(Cl)c2Cl)cc1 610216422 MUYXZDGUOVCPHN-UHFFFAOYSA-N 321.207 4.741 30 20 DJED N#C[C@@H]1CCC[C@@H](Nc2ccc(F)cc2OC2CCCC2)C1 613252176 ATRGRCANLCBTJX-UKRRQHHQSA-N 302.393 4.641 30 20 DJED C=CCN(CC=C)C(=O)N[C@H](c1cccs1)C(CC)CC 615884227 OKROJBVCZVWZCF-INIZCTEOSA-N 306.475 4.609 30 20 DJED C=CC[C@@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 664334340 YEDFPFRACHYFOB-GFCCVEGCSA-N 312.335 4.525 30 20 DJED Cc1cc(C(=O)/C=C\c2cnc(-c3ccccc3)s2)ccc1O 728232462 TUWIXOFDRZKIQX-NTMALXAHSA-N 321.401 4.720 30 20 DJED C[C@H](C#N)Oc1ccc(/C=C2\CCCc3ccccc3C2=O)cc1 728695010 PQPILZJWKANVTQ-COYFKBPASA-N 317.388 4.580 30 20 DJED CC(=NNc1ncnc2c1oc1ccccc12)c1sccc1C 733744516 KPMMQRSXZYTSKY-UHFFFAOYSA-N 322.393 4.582 30 20 DJED CC[C@H](CC1CCCC1)C(=O)[C@H](C#N)c1nc2ccccc2o1 734080512 UJJJZMNWIAFFRI-CABCVRRESA-N 310.397 4.611 30 20 DJED COc1ccc(/C=C/C(=O)c2sccc2C)c(OC(F)F)c1 734094802 GWNGTIMSXJTGAC-GQCTYLIASA-N 324.348 4.563 30 20 DJED CCN(Cc1ccc(C(F)(F)F)cc1)Cc1cccc(C#N)c1 746134755 WVYMFJXRPGATAI-UHFFFAOYSA-N 318.342 4.599 30 20 DJED Cc1cc(C)cc(C(=O)/C=C/c2coc(-c3ccccc3)n2)c1 749892047 QZWDYZVQEVYYNK-CMDGGOBGSA-N 303.361 4.855 30 20 DJED C=CCN(C(=O)c1cc(SC)c(Cl)cc1Cl)C(C)C 760356775 SKDAVACHIXPFHF-UHFFFAOYSA-N 318.269 4.752 30 20 DJED O=C(/C=C/c1cccc2nccn12)c1ccc(Cl)cc1Cl 769603367 XJLLDLQFZOWBEV-FNORWQNLSA-N 317.175 4.537 30 20 DJED C/C=C\c1ccc(Oc2snc(Cl)c2C#N)c(OC)c1 770949000 BRQKKCAYTWJRMH-ARJAWSKDSA-N 306.774 4.502 30 20 DJED CC(=O)Nc1cccc(C(=O)/C=C\c2ccc(Cl)c(C)c2)c1 779714392 YGXBZLZTKUFGNU-CLFYSBASSA-N 313.784 4.503 30 20 DJED CC[C@H](C)[C@H](C(=O)OCCCC(C)(C)C#N)c1ccccc1 781862762 GOGDQCWVIXZLQI-RDJZCZTQSA-N 301.430 4.689 30 20 DJED C=CCC1(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)CCC1 790529051 VJUSEBOSQIFGFS-UHFFFAOYSA-N 322.452 4.620 30 20 DJED CC[C@](C)(NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1 793461036 WVHHTHAGFJEQNL-NQIIRXRSSA-N 320.436 4.516 30 20 DJED CCCCCCCCCC(=O)N1CCCC[C@H]1c1nc(C)no1 804858330 SXTDQFOPLMLLKT-INIZCTEOSA-N 321.465 4.572 30 20 DJED C#CCCCS[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C 808363417 GKUOBSGPDLWIAK-HNNXBMFYSA-N 303.471 4.592 30 20 DJED CCc1cnc(C=NN(Cc2ccccc2)c2ccccc2)s1 814685412 HRSWURORNBADOD-UHFFFAOYSA-N 321.449 4.746 30 20 DJED C=CCC(F)(F)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl 814929375 NAPXKKTWLVWVIT-VIFPVBQESA-N 322.182 4.724 30 20 DJED CC(C)C#CC(=O)N(C1CC1)[C@H](C)c1ccc2ccccc2c1 823460649 YKHLOEGGBGEXSU-MRXNPFEDSA-N 305.421 4.551 30 20 DJED CC(=NNc1ncccc1Cl)C12CC3CC(CC(C3)C1)C2 917548588 BTANSKXFVHEWNF-UHFFFAOYSA-N 303.837 4.739 30 20 DJED C=CCN(C(=O)N[C@H](CC(C)(C)C)c1ccccc1)C(C)C 918069019 IAUABVHCONFRBY-QGZVFWFLSA-N 302.462 4.770 30 20 DJED CC[C@H](C)Oc1cccc(N=Cc2cc3ccccc3nc2O)c1 920177237 DSWVIRMYPNUHOC-AWEZNQCLSA-N 320.392 4.868 30 20 DJED C=C[C@H](CC(=O)Nc1ccn(C2CCCCC2)n1)c1ccccc1 1116787381 JGOCXXGUJNZDCV-MRXNPFEDSA-N 323.440 4.687 30 20 DJED C[C@H]1C[C@@H](C)Cc2c1sc(NC(=O)c1ccccc1)c2C#N 1129227097 QMMMWVMTCGGKOZ-NEPJUHHUSA-N 310.422 4.558 30 20 DJED CC(C)CC1CCN(c2c(Br)cccc2C#N)CC1 1162716905 AEASQAJXFBRSSR-UHFFFAOYSA-N 321.262 4.583 30 20 DJED CCN(Cc1ccc(OCC#N)cc1)c1ccc2ccccc2c1 1191691011 JVTXROVRLPZPLG-UHFFFAOYSA-N 316.404 4.769 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1CCc2ccc(Cl)cc2[C@@H](C)C1 1195768084 QCFVGNNACPUROE-GJZGRUSLSA-N 324.855 4.934 30 20 DJED CC[C@@H]1C[C@H](Nc2ccc(Oc3ccccc3)c(C#N)c2)CCO1 1205493515 YGPKFHSJSXISED-QZTJIDSGSA-N 322.408 4.720 30 20 DJED CCCC[C@H](CCC)NC(=O)N[C@@H](CCC#N)c1ccccc1 1229665030 WCLLGWWGAAVDBR-ROUUACIJSA-N 315.461 4.690 30 20 DJED C=CCCCc1nnc([C@@H](C)Oc2ccc3ccccc3c2)o1 1261569489 HURDIFSNCAFZNV-CQSZACIVSA-N 308.381 4.872 30 20 DJED CC(C)Cc1ccccc1C(=O)Nc1ccc(C#N)c(Cl)c1 1264187986 RJMRBFRRIQVHSV-UHFFFAOYSA-N 312.800 4.662 30 20 DJED Cc1ccc([C@H]2CCCCN2Cc2cccc(C#N)c2F)cc1 1307490892 RZFBPACJEVYKBI-LJQANCHMSA-N 308.400 4.733 30 20 DJED C[C@@H](CCC(C)(C)C)NC(=O)Nc1ccc(C#N)c(Cl)c1 1310043255 CZJZPKOPZCEPNL-NSHDSACASA-N 307.825 4.548 30 20 DJED Cc1cc(C#N)cc(NC(=O)N2CCC[C@@H](C)c3ccccc32)c1 1310872259 PJHTTZJOTBSYGN-OAHLLOKOSA-N 319.408 4.803 30 20 DJED C=C[C@@H](Cc1nnc(-c2ccc(CC)cc2)o1)c1ccccc1 1322053752 ZFQXCCMPDFIESK-INIZCTEOSA-N 304.393 4.811 30 20 DJED Cc1cc(C(F)(F)F)ccc1CNc1ccc(OCC#N)cc1 1324393808 RKACKPGCGWLGBB-UHFFFAOYSA-N 320.314 4.528 30 20 DJED N#CCOc1cccc(CNC2CCC3(CCCCC3)CC2)c1 1343392296 HSLIFBUWHXYKKQ-UHFFFAOYSA-N 312.457 4.572 30 20 DJED Cc1cc(F)c(C(=O)Nc2cc3ccccc3cc2C#N)cc1F 1436732385 USWNPFLWHAAJBE-UHFFFAOYSA-N 322.314 4.550 30 20 DJED Cc1cc(OCc2cccc(Br)c2C)ccc1C#N 1459056539 ABRLFBAZBFXWNK-UHFFFAOYSA-N 316.198 4.517 30 20 DJED CCC(CC)Oc1ccc([C@@H](C)OC(=O)CC(C)(C)C#N)cc1 1460054448 MSDAVGUWQXBWMS-CQSZACIVSA-N 317.429 4.798 30 20 DJED Cc1cccc(-c2cccc(C(=O)O[C@H]3CCC[C@@H](C#N)C3)c2)c1 1535478469 DLVZJMQYVCYXGV-UZLBHIALSA-N 319.404 4.901 30 20 DJED N#Cc1nc(Oc2ccc(C3CC3)cc2Cl)ccc1Cl 1559198052 XRQMSTDQDQJDKO-UHFFFAOYSA-N 305.164 4.930 30 20 DJED C[C@H]1CCC(C)(C)N1C(=O)Nc1scc(C(C)(C)C)c1C#N 1562850831 CNRXUJAHYIOYLM-NSHDSACASA-N 319.474 4.712 30 20 DJED N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2Cc2ccccc2)c(F)c1 1649084110 KKUCBOZCSDKTEJ-WIYYLYMNSA-N 322.427 4.588 30 20 DJED N#Cc1ccc(SC2CC(OCc3ccccc3)C2)c(F)c1 1656304518 JOWAUCYFKHMKGD-UHFFFAOYSA-N 313.397 4.537 30 20 DJED Cc1ccc(COc2ccc(Br)c(C#N)c2)c(C)c1 1656930838 VAFWUIMCUDDAEC-UHFFFAOYSA-N 316.198 4.517 30 20 DJED CC(C)(C)[C@@H]1CCC[C@H](NC(=O)Nc2ccc(C#N)cc2)CC1 1666343379 SQGOMVXSCJKWQN-CVEARBPZSA-N 313.445 4.675 30 20 DJED O=C(O)c1ccc(NN=Cc2ccc(-c3ccccc3)s2)cc1 1776012029 SGUXCUBIRSLPIY-UHFFFAOYSA-N 322.389 4.559 30 20 DJED N#Cc1ccc(CN[C@@H](c2ccccc2)c2ccc(F)cc2)cc1 48367593 OKGRTMVMEUQWAP-NRFANRHFSA-N 316.379 4.577 30 20 DJED C[C@@H](SCCOc1ccc(C#N)cc1)c1ccc(F)cc1 71856322 KZAYXTMJARYJTQ-CYBMUJFWSA-N 301.386 4.571 30 20 DJED C=CCOCCCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 74236378 MNFYYBMAWJYERW-UHFFFAOYSA-N 322.619 4.568 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1cc(C)ccc1Cl 120558482 UUDSVXQZLMDQQG-UHFFFAOYSA-N 320.845 4.930 30 20 DJED Cc1cnc([C@H](C)Nc2ccc(C(F)(F)F)c(C#N)c2)s1 124608681 VCHCAFPMCYYAJI-VIFPVBQESA-N 311.332 4.515 30 20 DJED C#Cc1cccc(NCc2cnoc2-c2ccc(Cl)s2)c1 135548528 VHWNBYQTWFFKQJ-UHFFFAOYSA-N 314.797 4.650 30 20 DJED N#Cc1csc(/C=C/C(=O)c2cc(Cl)sc2Cl)c1 176841022 ZHHGYNLZLMZJOL-OWOJBTEDSA-N 314.218 4.884 30 20 DJED C[C@@H](SCc1cccc(C#N)c1)c1nc(-c2ccccc2)no1 177649840 SITQLUBJATZNNZ-CYBMUJFWSA-N 321.405 4.603 30 20 DJED C[C@H](C#N)Oc1ccccc1NCc1cccc2ccccc12 182548055 YIIBPUOZMYRNNP-OAHLLOKOSA-N 302.377 4.743 30 20 DJED Cc1sc(N=C(O)c2scnc2C(C)(C)C)c(C#N)c1C 331022281 LCKHYEJCUVTXKI-UHFFFAOYSA-N 319.455 4.627 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@H](C)c1cccc(C#N)c1 336865181 UZDCCUYPLKKMJW-KDOFPFPSSA-N 308.425 4.824 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CC12CCCC2 353828301 IMVCNGZFIIEVSI-KGLIPLIRSA-N 314.454 4.600 30 20 DJED N#CC1(C(=O)Nc2cc(Cl)c(Cl)cc2F)CCCCC1 408255128 GVDWFLGZSGNADW-UHFFFAOYSA-N 315.175 4.545 30 20 DJED C=CCC[C@@H](NC(=O)Nc1ccc(C(C)=O)cc1)c1ccccc1 435142946 ZEWCGQXEOJITIK-LJQANCHMSA-N 322.408 4.718 30 20 DJED C=CCC[C@@H](NCc1cnoc1C)c1ccc(C(F)(F)F)cc1 445811289 QUDMQIVOFLLJPC-MRXNPFEDSA-N 324.346 4.799 30 20 DJED Cc1cccnc1[C@H]1CCC[C@H](Nc2cccc(CC#N)c2)C1 449705868 ZKLHKEDQGXCHRK-HKUYNNGSSA-N 305.425 4.594 30 20 DJED C[C@H](CCCc1cccnc1)Nc1cccc(OCCCC#N)c1 453161892 JPLSZQSICHHJCM-QGZVFWFLSA-N 323.440 4.587 30 20 DJED CC(C)[C@H](NC(=O)[C@H](C)C#N)c1ccc(C2CCCCC2)cc1 462029143 HGLYOCCMKUQWOX-BEFAXECRSA-N 312.457 4.707 30 20 DJED Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)c1cccc(C#N)c1 463069242 JAPSVCJINQGEDP-HNNXBMFYSA-N 306.409 4.732 30 20 DJED C=C[C@@](C)(CC)C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 467994649 PEQNFEZYICDFBO-SFHVURJKSA-N 303.833 4.558 30 20 DJED C=CCCC1(C(=O)N[C@H](C)c2ccc(SCC)cc2)CC1 475660572 YTBWZEJDLQROJM-CQSZACIVSA-N 303.471 4.722 30 20 DJED C=C(C)[C@H](N[C@H]1CCc2cc(F)ccc21)c1ccc(F)c(F)c1 480701900 UTXSPAMEGGHCPV-OALUTQOASA-N 317.354 4.998 30 20 DJED CC(C)(C#N)CCCN1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 485860046 BSJGEAPEHXJAMJ-VAMGGRTRSA-N 310.485 4.975 30 20 DJED C=CCN(Cc1ccccc1)Cc1coc(-c2ccc(C)cc2)n1 505758874 RXYNMDAKGYKOON-UHFFFAOYSA-N 318.420 4.838 30 20 DJED CCN(Cc1ccc(-c2ccccc2F)s1)C[C@H](C)C#N 509820903 SEEIECYAIXFEDT-CYBMUJFWSA-N 302.418 4.536 30 20 DJED C=CCN(CC=C)C(=O)[C@@H](C)Sc1ccc2ccccc2c1 514959337 RFJZBLBRSARCIF-OAHLLOKOSA-N 311.450 4.521 30 20 DJED COc1ccc(/C=C\c2ccc3cc(C)ccc3n2)cc1C#N 525623135 FORSOLHHTJKYJI-DAXSKMNVSA-N 300.361 4.594 30 20 DJED C=C(C)COc1cccc(NC(=O)Nc2cccc3cc[nH]c23)c1 547507185 VTGWGEZLUJDLDA-UHFFFAOYSA-N 321.380 4.767 30 20 DJED CC(C)(C#N)CCCNc1cccc(Cl)c1OCC(F)F 589057378 WLEVRXIGLFOBSB-UHFFFAOYSA-N 316.779 4.726 30 20 DJED C=CC1CCN(C(=O)CSc2ccc(C(C)(C)C)cc2)CC1 599710209 BXJYWAGPERHVPM-UHFFFAOYSA-N 317.498 4.501 30 20 DJED CC[C@H]1CCCN(c2c(C#N)cnc3c(F)ccc(Cl)c23)C1 603850925 WKGALBPFQCTQKN-NSHDSACASA-N 317.795 4.525 30 20 DJED COc1ccc(C(C)(C)C)cc1N[C@@H](C#N)Cc1ccccc1 604553138 PBRCJKPDWRCAFX-QGZVFWFLSA-N 308.425 4.539 30 20 DJED CCc1ccc([C@H](C)CC(=O)N(CCC#N)CCC(C)C)cc1 609988090 JWCIVBYSCJJZPM-QGZVFWFLSA-N 314.473 4.531 30 20 DJED CC(C)(C)[C@@](C)(C#N)NC(=O)c1cc2c(Cl)cccc2s1 613365916 VZJFVODUSGRHMY-MRXNPFEDSA-N 320.845 4.613 30 20 DJED N#Cc1cc(Cl)ccc1CSCc1noc2c1CCCC2 614063582 LYCOTJPUKMKXLI-UHFFFAOYSA-N 318.829 4.512 30 20 DJED C[C@@H]1CC[C@H](NCc2ccc(C#N)c(Cl)c2)c2ccccc21 619754464 AFRPXGHTYZQCGD-YJYMSZOUSA-N 310.828 4.940 30 20 DJED C=CCN(CC=C)C(=O)Nc1ccc(SC(C)(C)C)cc1 726846918 KFUMMSFYNNKSJQ-UHFFFAOYSA-N 304.459 4.783 30 20 DJED CCCOc1ccc(/C=C2/Cc3ccc(C)cc3C2=O)cc1OC 730948722 KTWDBSINUOVWHO-BOPFTXTBSA-N 322.404 4.615 30 20 DJED O=C1/C(=C\c2ccc(N3CCCCC3)cc2)Cc2cc(F)ccc21 734305642 ZACCZNXEZZFLKL-ATVHPVEESA-N 321.395 4.638 30 20 DJED COc1cccc(/C=C/C(=O)c2cccc(Cl)c2Cl)c1 734980319 JJTDORHTMHRQRG-CMDGGOBGSA-N 307.176 4.898 30 20 DJED CC(=NNc1c(F)cccc1F)c1ccc(OC(C)C)cc1 735614784 BKSONLNCOAOWNT-UHFFFAOYSA-N 304.340 4.588 30 20 DJED CCC(=NNc1cccc(C(F)(F)F)n1)c1ccc(C)cc1 739421680 MLXHZLKYOKLMTO-UHFFFAOYSA-N 307.319 4.635 30 20 DJED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(SC)cc1)CC2 741849494 WFDWBOXCGKIGSU-PTNGSMBKSA-N 310.418 4.630 30 20 DJED Cc1ccccc1C1CC(=NNc2cccc([N+](=O)[O-])c2C)C1 743438281 LSJGRIXTEKNWTP-UHFFFAOYSA-N 309.369 4.557 30 20 DJED Cc1csc([C@@H](C)C/N=C\c2c(O)ccc3ccccc23)n1 753996448 UMGQZVBUFJSHFI-ZTPSMGMTSA-N 310.422 4.533 30 20 DJED CCCn1nc(C)c(/C=C2/C(=O)c3cccc4c3[C@@H]2CCC4)c1C 763291060 UTQIAHHAWQSBHK-PUMYGXPMSA-N 320.436 4.610 30 20 DJED C=CC[C@@H](N[C@H](C)c1ccc(F)cc1Cl)c1ccncc1 766022984 YSTXGGNLJJCGFU-SJKOYZFVSA-N 304.796 4.842 30 20 DJED Cc1ncsc1/C=C1/CCOc2ccc(C(C)C)cc2C1=O 767736410 KJGQCCNJYDDVPK-ZROIWOOFSA-N 313.422 4.624 30 20 DJED C#CCCCCC(=O)O[C@H](c1cccc(Cl)c1)C(F)(F)F 773799699 YNSSDDKGQRXCCH-CQSZACIVSA-N 318.722 4.680 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2cc(Cl)cs2)c(Cl)c1 788358697 JAEOFMODYJPCFF-DUXPYHPUSA-N 308.189 4.823 30 20 DJED C=C(Cl)CSCCCC(=O)Nc1c(C)cc(C)cc1C 913396204 RDPQIIISAHOWLG-UHFFFAOYSA-N 311.878 4.816 30 20 DJED Clc1ccc(NN=Cc2csc(C3CC3)n2)c(Cl)c1 920364763 UZWBQXGKQMGBEV-UHFFFAOYSA-N 312.225 4.773 30 20 DJED Cc1cc(CON=Cc2ccccc2OC(F)F)c(C)s1 920399626 XPSHHIXNAHADLW-UHFFFAOYSA-N 311.353 4.517 30 20 DJED CC(C)CN(CCC#N)C(=O)c1cc2cccc(Cl)c2s1 1136428011 IGAXHQULXDWQRC-UHFFFAOYSA-N 320.845 4.567 30 20 DJED CC[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(C#N)s1 1191234532 VKQOTUGGOJNBRY-RTBURBONSA-N 310.466 4.778 30 20 DJED Cc1cc(C#N)cc(NC(=O)C[C@@H](c2ccccc2)C(C)C)c1 1275796948 NBZBLXNHDLZCAX-LJQANCHMSA-N 306.409 4.635 30 20 DJED N#Cc1ccc(SCc2cnc(-c3ccccc3)s2)cc1 1319622059 BPXYAHSHAGSQOR-UHFFFAOYSA-N 308.431 4.974 30 20 DJED CCc1ccc(-c2nnc(C[C@H](CC#N)c3ccccc3)o2)cc1 1331902401 PNBINPPJUWMQAC-SFHVURJKSA-N 317.392 4.539 30 20 DJED CC[C@H](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C 1354313566 FPSGMAWWORXLQI-CYBMUJFWSA-N 318.486 4.899 30 20 DJED C=C(Cl)CN1CCC[C@@]1(C)c1ccc(C(F)(F)F)cc1 1460637002 LSHMGJINLSHFSG-AWEZNQCLSA-N 303.755 4.769 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCC[C@@H]1/C=C\c1ccccc1 1460870395 GWJDVWVNLMPECL-NHHWLVAYSA-N 322.839 4.889 30 20 DJED CN(Cc1ccc(C#N)cc1F)[C@H]1CCCC[C@@H]1c1ccccc1 1474580603 ZNBDYYTWDQXHHT-CTNGQTDRSA-N 322.427 4.856 30 20 DJED N#CC[C@@H]1CCCN(Cc2ccc(Oc3cccc(F)c3)cc2)C1 1474625120 KCVJPPCHQLCHHF-INIZCTEOSA-N 324.399 4.744 30 20 DJED COc1ccc([C@H](C)S[C@H](C#N)Cc2ccc(C)cc2)cc1 1559364839 OCFYYYVATMZZRJ-KXBFYZLASA-N 311.450 4.933 30 20 DJED C=C(Cl)CN(CC)[C@@H](c1ccccc1)c1ccc(F)cc1 1559634702 WWHGRQBXPYZYNZ-SFHVURJKSA-N 303.808 4.990 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)C1 1584702982 LTBFRQLFMHQPSY-HIBPSGHXSA-N 319.404 4.569 30 20 DJED N#Cc1cc2c(nc1SCc1cc3ccccc3o1)CCCC2 1613442909 DOXZFGYVXVLAPR-UHFFFAOYSA-N 320.417 4.871 30 20 DJED CCCCN(Cc1ccc(F)c(C#N)c1)[C@H]1CCC[C@@H](C)C1 1645912320 NDPJCEFJKVKLCH-QAPCUYQASA-N 302.437 4.878 30 20 DJED Cc1ccc(Nc2ncc(C#N)cc2F)cc1OCCC(C)C 1655170823 HDIXHQWWHQSMMV-UHFFFAOYSA-N 313.376 4.569 30 20 DJED CCCC[C@@H](CCC)NCc1cc(C#N)ccc1Br 1655762014 KKUKVALEYJRDMV-OAHLLOKOSA-N 323.278 4.769 30 20 DJED C=C(Cl)CNC(=O)Nc1ccc(Oc2cccc(C)c2)cc1 1657922884 MQZOSBGIXKLRKU-UHFFFAOYSA-N 316.788 4.661 30 20 DJED Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2cccc(F)c2C#N)o1 1663653171 MDDWZLQWUXTLCH-SCLBCKFNSA-N 312.388 4.572 30 20 DJED CCC[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2o1)c1ccccc1 41548219 FGKRIMHKIQXTNN-HZPDHXFCSA-N 318.376 4.588 30 20 DJED N#CC1(C(=O)Nc2cccc(Oc3ccccc3)c2)CCCC1 52736104 NOCQAKBXIDEGMG-UHFFFAOYSA-N 306.365 4.501 30 20 DJED N#Cc1ccc(NCCC(c2ccccc2)c2ccccc2)nc1 58482162 FECHAYMAFCFLRM-UHFFFAOYSA-N 313.404 4.587 30 20 DJED CCc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1 66157962 LRZUTZSNSSMVMO-UHFFFAOYSA-N 321.424 4.563 30 20 DJED O=C1/C(=C/c2coc(-c3ccccc3)n2)CSc2ccccc21 109707620 LCGSENKWPNRXPY-GXDHUFHOSA-N 319.385 4.714 30 20 DJED C=CCC(CC=C)C(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C 153022262 RPQYANCHTOFCRY-AWEZNQCLSA-N 320.502 4.863 30 20 DJED CCN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(C#N)cc1 174076398 NREDXNSTMJTFTQ-UHFFFAOYSA-N 319.191 4.532 30 20 DJED CC(C)(C#N)CCCN1CCc2cc(-c3ccccc3)oc2C1 177719449 RJIKTWJUWSXTQA-UHFFFAOYSA-N 308.425 4.635 30 20 DJED CC[C@@H](C)Oc1ccc(N[C@H](C)c2ccc(OCC#N)cc2)cc1 180085438 PIFSDFDLGGNLQU-HZPDHXFCSA-N 324.424 4.939 30 20 DJED C[C@@H](NC[C@@H](C#N)CCC#N)c1ccc(Cl)c2ccccc12 184923983 LNHFRGWQYSBNNE-ZIAGYGMSSA-N 311.816 4.587 30 20 DJED N#CCCCOc1cccc(CNc2ccsc2Cl)c1 189528148 DBHMRVNRQUKGMN-UHFFFAOYSA-N 306.818 4.696 30 20 DJED C[C@H](NCc1cccc2ccccc12)c1ccc(OCC#N)cc1 195260247 RPFYLMJOHPPUMP-INIZCTEOSA-N 316.404 4.593 30 20 DJED CCCCOc1ccc(/C=C\C(=O)c2cccc(C#N)c2)cc1 206978707 QAWZVUCXPRSGMU-XFXZXTDPSA-N 305.377 4.633 30 20 DJED CC(C)c1oc([C@@H]2CCCN2CCCC#N)nc1-c1ccccc1 266930335 OFUXEWALZHOGHO-KRWDZBQOSA-N 323.440 4.906 30 20 DJED N#CCOc1cccc(NCc2ccc(-c3ccccc3)cc2)c1 324864386 MZHDGNCYAWQKPW-UHFFFAOYSA-N 314.388 4.868 30 20 DJED CC(O)=Nc1ccc(C/C(O)=N/[C@@H]2CC23CCCCC3)cc1 329111210 JXGUXHCZCHXJGL-MRXNPFEDSA-N 300.402 4.516 30 20 DJED Cc1cc(Cl)c(C(O)=Nc2cnc(C(C)C)nc2)cc1C 331058773 AUVOAEDODILJMA-UHFFFAOYSA-N 303.793 4.507 30 20 DJED CC[C@H]1CC[C@H](C(=O)Nc2ccc(Cl)cc2CC#N)CC1 410974864 YKEONJNDVPJUHJ-JOCQHMNTSA-N 304.821 4.561 30 20 DJED Cc1ccc(F)c(C(=O)Nc2sc(C(C)(C)C)cc2C#N)c1 411007630 OPYIBMYCHRIJFM-UHFFFAOYSA-N 316.401 4.617 30 20 DJED CCN(Cc1oc(C(C)C)nc1C)[C@H](C)c1ccc(C#N)cc1 428441134 GVGJJNBKHNJQMV-OAHLLOKOSA-N 311.429 4.561 30 20 DJED CC(C)(C#N)CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 429622225 NHHQCPRGXOVPLY-QGZVFWFLSA-N 312.457 4.587 30 20 DJED Cc1cc(CNC(c2cccs2)c2cccs2)ccc1C#N 443986454 IXSGXZPJNWDETD-UHFFFAOYSA-N 324.474 4.869 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2ccccc2CC)CCCC1(C)C 444815485 HOBLKULDOKXOTM-KRWDZBQOSA-N 300.446 4.848 30 20 DJED C=CCC1(C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)CCCC1 449852060 XLMBJLFPPPUSPQ-CYBMUJFWSA-N 320.502 4.754 30 20 DJED CC(C)c1ccc(C(=O)N2CCc3ccc(C#N)cc32)cc1Cl 466999536 BVKGMHLXLXQCOR-UHFFFAOYSA-N 324.811 4.538 30 20 DJED C=CCC(CC=C)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 467747386 QMNCUDXGYYJVHP-LBPRGKRZSA-N 311.347 4.651 30 20 DJED C=CCCCC(=O)Nc1c(C(=O)c2ccco2)oc2ccccc12 481755200 JUQCGJZEAVNOGS-UHFFFAOYSA-N 323.348 4.552 30 20 DJED C[C@H](c1cccc(C#N)c1)N1CC=C(c2ccc(F)cc2)CC1 488062561 GWHRNIVAFHOWGL-OAHLLOKOSA-N 306.384 4.548 30 20 DJED C=CCC[C@@H](C(=O)Nc1cccc(COCC)c1)c1ccccc1 488339723 YROFSTYRTFBYEE-HXUWFJFHSA-N 323.436 4.912 30 20 DJED C=C(C)CN(CC)C(=O)CCOc1ccccc1-c1ccccc1 497488996 DHPBPHGXOWZIJH-UHFFFAOYSA-N 323.436 4.547 30 20 DJED N#Cc1ccc(N[C@H](c2ccccc2)[C@@H]2CCCO2)cc1Cl 505779916 ZNHVTJAGLKYNJP-ZWKOTPCHSA-N 312.800 4.544 30 20 DJED Cc1c(C#N)cccc1C(=O)N(c1ccc(Cl)cc1)C(C)C 509924865 ISCDOFMRURUEBW-UHFFFAOYSA-N 312.800 4.575 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(Cl)c2cccnc12 531822904 HERLDCXNJKWKMW-UHFFFAOYSA-N 300.789 4.595 30 20 DJED N#Cc1ccc(CNC2(c3cccc(Cl)c3)CCCC2)cc1 531954353 FRNPYIQUWPZLOY-UHFFFAOYSA-N 310.828 4.771 30 20 DJED CN(C)c1ccc(C(F)(F)F)cc1NCC(C)(C)CCC#N 537717778 BYLROLSTZUPUNR-UHFFFAOYSA-N 313.367 4.513 30 20 DJED C=CCCCCCN(C)C(=O)c1ccccc1COC(C)(C)C 538036396 RZOWYYZUWWJICO-UHFFFAOYSA-N 317.473 4.820 30 20 DJED C[C@@H](NCC1(Sc2ccccc2)CC1)c1ccc(C#N)cc1 538393197 JCXHFDNSLNBZCG-OAHLLOKOSA-N 308.450 4.534 30 20 DJED C=CCCC[C@@H](C)NC(=O)N1CCCCC[C@@H]1c1ccco1 539464875 CANKCPYHFPVXBZ-HZPDHXFCSA-N 304.434 4.651 30 20 DJED C=CCC(C)(C)c1noc(-c2c(-c3ccccc3C)noc2C)n1 556364615 DMBWAAZRYLBMDB-UHFFFAOYSA-N 323.396 4.862 30 20 DJED C[C@@H](NCCCC#N)c1ccc(-c2c(F)cccc2F)cc1 558506301 YYJVBWQTLUUENB-CYBMUJFWSA-N 300.352 4.586 30 20 DJED N#CC[C@H](Cc1nc(-c2ccccc2Cl)no1)c1ccccc1 570854524 UQHCRCLZYWAEKB-CQSZACIVSA-N 323.783 4.630 30 20 DJED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cc2ccncc2s1 595039269 FLMUYSREAOLVJS-SJKOYZFVSA-N 319.433 4.506 30 20 DJED C=CCCCCCN(C)C(=O)CCc1ccc(-c2ccccc2)[nH]1 606816286 RXTHTKVDUMXRNT-UHFFFAOYSA-N 324.468 4.819 30 20 DJED CC(C)Oc1ccccc1[C@@H](C)N[C@@H](C#N)C1CCCCC1 609676845 BFHMQHQUFSALGV-QAPCUYQASA-N 300.446 4.597 30 20 DJED Cc1cc(C#N)ccc1CN[C@H](c1ccc(F)cc1)C1CCC1 614402017 WWRXISKAGMHCIS-FQEVSTJZSA-N 308.400 4.637 30 20 DJED CC(C)(C)Cc1nc2cc(N=Cc3cccc(O)c3O)ccc2o1 731155356 FDYCEMWKCRZLHV-UHFFFAOYSA-N 324.380 4.578 30 20 DJED Cc1ccc(/C=C\C(=O)c2ccc(OC(F)F)cc2)cc1F 731488254 AZZIGWSIEVBMCV-WTKPLQERSA-N 306.283 4.632 30 20 DJED FC(F)(F)c1cccc(NN=C2CC[C@@H]3CCCC[C@H]3C2)n1 739421569 KIEUHYKYMFDPTD-RYUDHWBXSA-N 311.351 4.859 30 20 DJED Cc1cccc([C@@H](C)C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c1 740527595 HRAMGCXDNVNAHI-QAPCUYQASA-N 314.388 4.523 30 20 DJED CC1(C)C(=NNc2ccc(Cl)cc2Cl)[C@@H]2CCCO[C@H]21 743427951 GFSZLGUGICNZKV-IINYFYTJSA-N 313.228 4.596 30 20 DJED O=C(/C=C\c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 745989808 AKBWKPIYTQQVFX-KMKOMSMNSA-N 303.336 4.784 30 20 DJED CCO[C@@H](CC/N=C\c1cc(Cl)cc(Cl)c1O)C(C)C 746393936 MMYODXXCTKFAFA-WXARJGPPSA-N 318.244 4.569 30 20 DJED FC(F)(F)c1ccccc1ON=C[C@H]1CCc2ccccc21 755815559 IWDBZVAVZCAHIY-CYBMUJFWSA-N 305.299 4.800 30 20 DJED C#CC[C@H](NC(=O)Nc1ccccc1C(C)(C)C)c1ccccc1 757777544 GPKNLKVQEKMZFB-SFHVURJKSA-N 320.436 4.870 30 20 DJED C#CCCCC(=O)Nc1ccccc1Oc1ccc(OCC)cc1 757810679 AGBXQQWTWQQXFY-UHFFFAOYSA-N 323.392 4.620 30 20 DJED C=C(Cl)COc1ccc([C@@H](C)NCc2ccc(F)cc2)cc1 764440911 CLNLNEKZSVAMDA-CQSZACIVSA-N 319.807 4.808 30 20 DJED Cc1ccc(C)c2c1CC/C(=C/c1nc(Cl)cs1)C2=O 769746865 OIPZKYSLRDSRRO-XFFZJAGNSA-N 303.814 4.626 30 20 DJED C=CCCC[C@@H](C)NC(=O)Nc1cccc(N2CCCCC2)c1 775990408 SADGFFRGJQHDMQ-MRXNPFEDSA-N 315.461 4.543 30 20 DJED C[C@H](c1cccc(C#N)c1)N1CCC(c2ccc(F)cc2)CC1 782181152 DNPVWOSWLXLPSZ-OAHLLOKOSA-N 308.400 4.638 30 20 DJED CCc1cccc(Cl)c1C=NNc1cc(F)c(F)cc1F 788715911 VNBCDYKLAKUCPB-UHFFFAOYSA-N 312.722 4.766 30 20 DJED CCCCCCCCCC(=O)N1CCC2(CC(OCC)C2)C1 804627763 MJUGFDZDKFBKQN-UHFFFAOYSA-N 309.494 4.545 30 20 DJED O=C(/C=C/C1=Cc2ccccc2OC1)c1c(F)cccc1Cl 809158365 ABTQTNUARDDPIC-CMDGGOBGSA-N 314.743 4.694 30 20 DJED CCC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 835201034 ROFNRSIXMNTINH-ZIAGYGMSSA-N 306.475 4.905 30 20 DJED CC(C)=CCC[C@@H](C)CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 842676927 QOHIHTIVTWYKPY-HUUCEWRRSA-N 309.413 4.512 30 20 DJED Cc1ccc(C)c(C(=O)/C=C\c2ccc(OC(F)F)cc2)c1 916155937 PYYSQPXRGIWAJN-YFHOEESVSA-N 302.320 4.801 30 20 DJED CC(=NNc1nc2ccccc2s1)c1cc(C)sc1C 916246626 NNEIBUBRDKRDRA-UHFFFAOYSA-N 301.440 4.811 30 20 DJED CCCCCCCCC(=O)Nc1ccc(NC(=O)OC)cc1 916476431 XOQPDXIDURKSJV-UHFFFAOYSA-N 306.406 4.554 30 20 DJED CC(C)O[C@H](COc1ccc(C#N)c(Cl)c1)c1ccccc1 1166012411 FXHRCBYBQCJMGT-GOSISDBHSA-N 315.800 4.757 30 20 DJED CCCc1c(N[C@@H]2CCC[C@@H](C#N)C2)cnn1-c1cccc(C)c1 1181337798 TXRPJTGDDVSYHI-IAGOWNOFSA-N 322.456 4.628 30 20 DJED CCN(Cc1ccc(C#N)s1)c1cccc(C(F)(F)F)c1 1195393457 JCSMLTDZDGLLMA-UHFFFAOYSA-N 310.344 4.665 30 20 DJED CCC(C#N)(CC)C(=O)N1Cc2ccccc2-c2ccccc21 1277678953 XKVYUNZMTGEUQF-UHFFFAOYSA-N 304.393 4.530 30 20 DJED N#Cc1ccc(Oc2c(C#N)cnc3c(Cl)cccc23)c(F)c1 1306997694 DECRFSULOPPHAM-UHFFFAOYSA-N 323.714 4.563 30 20 DJED CCCCN(Cc1ccc(C#N)cc1OC)[C@@H](C)c1ccccc1 1307489602 WKOXJZXMBXITLY-KRWDZBQOSA-N 322.452 4.930 30 20 DJED CCCC[C@H](C)[C@H](C)Nc1ccc(NC(=O)OCC)c(C#N)c1 1308681382 PMVLHOKEWCZKTC-KBPBESRZSA-N 317.433 4.753 30 20 DJED Cc1cc(NCc2ccc(C#N)c(Cl)c2)nc2ccccc12 1321727489 KYSLEAWWSNKGEF-UHFFFAOYSA-N 307.784 4.680 30 20 DJED C[C@@H]1/C(=C\c2ccc(N3CCCC3)cc2)C(=O)c2ccccc21 1324190829 WTODUJOQBBIIIF-AUQXIXNCSA-N 303.405 4.670 30 20 DJED Cc1cc(COc2c(C)cc(Cl)cc2C#N)c2ccccc2n1 1459140037 MZJFQXJRIBQCGE-UHFFFAOYSA-N 322.795 4.956 30 20 DJED N#Cc1c(F)cccc1N1CC2(CCCC2)[C@@H]1c1ccccc1 1472800344 WDYDBBUCMPLGSI-IBGZPJMESA-N 306.384 4.819 30 20 DJED CC(C)(CC#N)CN[C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 1474571794 WCCWZQNRZOFXBN-WBVHZDCISA-N 304.865 4.581 30 20 DJED CCCCc1ccc(C(=O)Nc2ccc(Cl)cc2C#N)cc1 1532002277 VCMSMVTZSDWNEM-UHFFFAOYSA-N 312.800 4.807 30 20 DJED CC[C@@H]1CN(c2cccc(F)c2C#N)CC[C@H]1c1ccccc1 1559127241 FOPJWGRZEVKGBN-NVXWUHKLSA-N 308.400 4.717 30 20 DJED CCC[C@H]1CCc2ccccc2N1CCOc1ccccc1C#N 1559626139 LRPMLWVWGCMVPH-IBGZPJMESA-N 320.436 4.559 30 20 DJED C=C(CNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1)c1ccccc1 1583132842 KXWHDMWZXUAEPX-NHCUHLMSSA-N 319.448 4.790 30 20 DJED N#Cc1c(F)cccc1Nc1ccc(CCC(F)(F)F)cc1 1639574020 DUXOUCNYPDNHAR-UHFFFAOYSA-N 308.278 4.936 30 20 DJED Cc1ccc(C)c(C(=O)[C@H](C)Sc2ccc(C#N)c(C)c2)c1 1641222628 HFSGAJRCJCKKTA-HNNXBMFYSA-N 309.434 4.847 30 20 DJED Cc1cc(S[C@@H](C)C(=O)C2(c3ccccc3)CC2)ccc1C#N 1641226153 OFWWSWXOXDKAOV-HNNXBMFYSA-N 321.445 4.648 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)c1nc2ccccc2s1 1642157240 LUZWOSSVZPMCGE-UHFFFAOYSA-N 321.449 4.831 30 20 DJED CCC[C@@H]1CCCC[C@@H]1CNC(=O)Nc1scc(C)c1C#N 1671133823 GNRIMQIIFUJBKR-ZIAGYGMSSA-N 319.474 4.656 30 20 DJED O=C(O)c1cccc(NN=Cc2ccc(C3CCCCC3)cc2)c1 1776038572 QZHIWDGJDZUNFK-UHFFFAOYSA-N 322.408 4.879 30 20 DJED C=C(C)COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC 60815730 FUGPGVDJBJIKOQ-PKNBQFBNSA-N 308.377 4.546 30 20 DJED C[C@H](Sc1cc(C#N)ccn1)c1ccc(OC(F)(F)F)cc1 63537303 DMHHNHDMEUUCBA-JTQLQIEISA-N 324.327 4.705 30 20 DJED Cc1cccc(NC(=O)CS[C@@H](C)c2ccc(C#N)cc2)c1C 118446530 MWMCFPJPMYIGPG-HNNXBMFYSA-N 324.449 4.608 30 20 DJED CC(C)(C#N)c1ccccc1CNc1ccc(OC(F)F)cc1 131479894 NKLAGOMXMRZEMN-UHFFFAOYSA-N 316.351 4.701 30 20 DJED C=C(C)[C@H](N[C@@H](C)c1ccc(C)cc1O)c1ccc(F)c(F)c1 186446470 HSFNIVAJMFKWEM-DJJJIMSYSA-N 317.379 4.947 30 20 DJED C[C@@H](N[C@H]1CCSc2ccc(F)cc21)c1cccc(C#N)c1 192982185 CUAQPWMYILKHML-PXAZEXFGSA-N 312.413 4.585 30 20 DJED O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1ccccc1C(F)(F)F 211701141 JNBDGSVCCBAPJW-HJWRWDBZSA-N 321.254 4.510 30 20 DJED CSc1ccc(C(=O)/C=C\c2cccnc2C)c(Cl)c1 255909121 UTKGZXFGOMGQJL-YVMONPNESA-N 303.814 4.661 30 20 DJED N#CCc1cccc(C(=O)N(c2ccsc2)C2CCCCC2)c1 278569787 XCBQTVWHXFMCPL-UHFFFAOYSA-N 324.449 4.794 30 20 DJED N#C[C@@H](NC(=O)CC1=CCCCC1)c1cccc(Cl)c1Cl 303366049 INTACWOTQBCQJP-CQSZACIVSA-N 323.223 4.565 30 20 DJED CC[C@@H](NCC(C)(C)CCC#N)c1ccccc1OC(F)F 348203347 BXDUBXZZKHJWIS-CQSZACIVSA-N 310.388 4.659 30 20 DJED COc1ccc([C@H](C)[C@@H](C)N[C@H](CCC#N)c2ccccc2)cc1 358332324 VRXWYEDTAKFMBM-CBGDNZLLSA-N 322.452 4.822 30 20 DJED C=CC[C@@H](C(=O)NCC[C@@H](C)c1ccccc1)c1ccccc1 410218759 KKQJYNSAKYGJEJ-YLJYHZDGSA-N 307.437 4.656 30 20 DJED CC(C)(C)c1csc(NC(=O)CCCC(F)(F)F)c1C#N 410926789 IZRPVTDERDDCIJ-UHFFFAOYSA-N 318.364 4.588 30 20 DJED Cc1ccc(-c2nnc([C@@H](C)SCCC(C)(C)C#N)o2)cc1 419477726 QHOJURYCOWEVCO-CYBMUJFWSA-N 315.442 4.779 30 20 DJED CC(C)(CCC#N)CN1CC[C@H](Sc2cccc(Cl)c2)C1 430197897 WUTCKEBTWQGRSC-INIZCTEOSA-N 322.905 4.836 30 20 DJED N#Cc1cc(Cl)ccc1COc1cnccc1-c1ccccc1 434742539 BUYPBXYUWGHBNX-UHFFFAOYSA-N 320.779 4.853 30 20 DJED CC(C)c1ccc(C(=O)N(C)c2cc(Cl)ccc2C#N)cc1 436005310 LFSFCSZHESGLGI-UHFFFAOYSA-N 312.800 4.612 30 20 DJED C[C@@H](SCCCOc1cccc(C#N)c1)c1cccc(C#N)c1 443127280 AYKASRPZWMUSJX-OAHLLOKOSA-N 322.433 4.693 30 20 DJED C=CCCCCCSc1nnc(COc2ccc(C)cc2)o1 447307098 WUZYJBWXHRKDEW-UHFFFAOYSA-N 318.442 4.796 30 20 DJED CC(C)CN(C(=O)CCCC#N)[C@@H](C)c1ccccc1Cl 464629310 QZINRJLXBJISEU-AWEZNQCLSA-N 306.837 4.579 30 20 DJED Cc1nc(COc2ccccc2C#N)oc1-c1ccc(Cl)cc1 469280413 RSPUIGMWNYKNLX-UHFFFAOYSA-N 324.767 4.754 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)[C@H](C)c1ccccc1F 470643498 GSOWPBKMCPFKGI-MRXNPFEDSA-N 311.400 4.534 30 20 DJED C=CCC[C@H](NC(=O)N(CC)CC1CCC1)c1ccccc1 474543212 UAJFJPYQWNUYMP-SFHVURJKSA-N 300.446 4.526 30 20 DJED C=C(C)CN(CC)C(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 481199013 LDIMBPOQIKZGCC-OAHLLOKOSA-N 313.363 4.624 30 20 DJED N#Cc1ccc(CN[C@H](c2ccccc2)C2CCCC2)cc1F 484057095 NPIOASPOIYGVAD-HXUWFJFHSA-N 308.400 4.718 30 20 DJED CC(C)CC[C@H](NC(=O)CC(C)(C)C#N)c1ccc(Cl)cc1 484686443 BKYDHTREBQWVKD-INIZCTEOSA-N 320.864 4.873 30 20 DJED CC[C@H](Nc1ncc(C#N)cc1Cl)c1ccc(Cl)cc1 498812030 SMZHOGDZKFQHOD-AWEZNQCLSA-N 306.196 4.823 30 20 DJED N#CCCCCNC1(c2ccc(C(F)(F)F)cc2)CCCC1 505493338 BWWVODDUFXFLAW-UHFFFAOYSA-N 310.363 4.758 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)CC1CCCC1 510473752 BMLCYVWCCDIARM-CQSZACIVSA-N 314.429 4.500 30 20 DJED CCSc1ccc(Cl)cc1NC(=O)C1(C#N)CCCCC1 521536044 SZKYNCBPGNNHFM-UHFFFAOYSA-N 322.861 4.865 30 20 DJED Cc1cc(C)c(NC(=O)[C@@H](C)Sc2ccc(C#N)cc2)c(C)c1 531761241 RHLOIYKWDHSTIC-OAHLLOKOSA-N 324.449 4.603 30 20 DJED C=C[C@H](CC(=O)Nc1ccc(C)c(OC)c1C)c1ccccc1 536150151 JWWLFTCCFCZWLJ-MRXNPFEDSA-N 309.409 4.610 30 20 DJED C=CCOc1ccccc1C(=O)Nc1cc(SC)ccc1C 537235895 FKYSSDNGFHWGAJ-UHFFFAOYSA-N 313.422 4.534 30 20 DJED C=CCCO[C@H](C)c1nc([C@H](c2ccccc2C)C(C)C)no1 554848497 ZNYZFXZCFUUBKT-WBVHZDCISA-N 314.429 4.820 30 20 DJED N#CCCCCCC(=O)NC1(Cc2ccccc2)CCCCC1 588963488 PKRIZFOUIIWTQU-UHFFFAOYSA-N 312.457 4.522 30 20 DJED N#Cc1ccc(NC(=O)c2cc3c(Cl)cccc3s2)cc1 603468641 RKBGKWWNUZGCBS-UHFFFAOYSA-N 312.781 4.679 30 20 DJED C[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1cccc2ccccc12 603501133 RZEMBYHUBDSROU-CQSZACIVSA-N 315.376 4.594 30 20 DJED COc1ccc(Cl)cc1CSc1ccc(C#N)cc1F 610165832 YOFORKBVAQOOEV-UHFFFAOYSA-N 307.777 4.652 30 20 DJED CC(C)[C@@H](CC(F)(F)F)N[C@H]1CCCc2cc(C#N)ccc21 615096763 IRALZWDKRSAUHY-JKSUJKDBSA-N 310.363 4.502 30 20 DJED CCCC[C@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 619691738 GDAXJDMTGJNTFX-AWEZNQCLSA-N 323.396 4.510 30 20 DJED O=C(/C=C\c1cnc(-c2ccccc2)s1)c1ccc(F)cc1 727263856 HQWLLGLFDZOFDM-KHPPLWFESA-N 309.365 4.845 30 20 DJED COc1ccc(Cl)cc1C(=O)/C=C/c1ccc2ncccc2c1 730584678 XVFGCNZGPDGONX-VMPITWQZSA-N 323.779 4.793 30 20 DJED Cc1ccsc1C(=O)/C=C/c1cccc(Br)c1 733749169 GIJBYNAKUGKNCD-AATRIKPKSA-N 307.212 4.715 30 20 DJED Cc1ccsc1C(=O)/C=C\c1ccc(Br)cc1 733749538 NPPSDPYXPVKMRP-DAXSKMNVSA-N 307.212 4.715 30 20 DJED CC[C@@H](CC1CCCC1)C(=O)[C@H](C#N)c1nc2ccccc2o1 734080513 UJJJZMNWIAFFRI-GJZGRUSLSA-N 310.397 4.611 30 20 DJED CCc1c(C(=O)/C=C/c2cnc3ccccn23)oc2ccccc12 740765332 WYJPQANMZLNLPU-ZHACJKMWSA-N 316.360 4.539 30 20 DJED O=C(/C=C\c1ccc(Cl)nc1)c1cccc(-c2ccncc2)c1 749005541 LIVXXOKQTCRHLG-XQRVVYSFSA-N 320.779 4.693 30 20 DJED CCc1ncc(C=NN=C2c3ccccc3-c3ccccc32)s1 752163184 RKYSMKPOZHCJLS-UHFFFAOYSA-N 317.417 4.557 30 20 DJED C=CCN(C(=O)CCCCCO[C@H]1CCC[C@@H](C)C1)C(C)C 766347690 ZFODYVFPMIXKAR-MSOLQXFVSA-N 309.494 4.565 30 20 DJED CC(C)(C#N)CCCCOC(=O)C1(c2cccc(Cl)c2)CC1 768594930 LBQLGEQUMSAUAU-UHFFFAOYSA-N 319.832 4.635 30 20 DJED C#CCCCCC(=O)N(Cc1cccs1)c1ccc(C)cc1 773361459 MZKVVAPCCHBQFK-UHFFFAOYSA-N 311.450 4.783 30 20 DJED CC(=NNc1cccc(C(F)(F)F)c1)C1CCSCC1 777418955 RMOOXSAWBQGCTA-UHFFFAOYSA-N 302.365 4.636 30 20 DJED CCCCCCCCC[S@](=O)c1ccc(NC(C)=O)cc1 790205068 PHMWMJOLLWGUDA-NRFANRHFSA-N 309.475 4.503 30 20 DJED C=CCC1(C(=O)Nc2ccc(Oc3ccc(C)cn3)cc2)CCC1 790636750 RWHXBECEXJFKCW-UHFFFAOYSA-N 322.408 4.867 30 20 DJED C#Cc1cccc(NC(=S)Nc2cc(C)c(F)cc2Cl)c1 795102195 NVWRFDCKQQQJSY-UHFFFAOYSA-N 318.804 4.578 30 20 DJED CCCCCCOCc1cccc(NC(=O)[C@@](C)(C#N)CC)c1 795592685 NFUQTFVAHUPWJV-LJQANCHMSA-N 316.445 4.662 30 20 DJED CCCCCCCCCN(C)C(=O)c1csc(C(C)=O)c1 815089787 MZYWIIYSIIXAQD-UHFFFAOYSA-N 309.475 4.773 30 20 DJED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1SC(C)(C)C 818355826 JEQWQWKMVDKZRI-QLFBSQMISA-N 302.487 4.920 30 20 DJED CC(=C/c1ccccc1)/C=C/C(=O)c1cccc(CN(C)C)c1 821022996 WYZXGILQZMOHNF-SQCSQLHISA-N 305.421 4.591 30 20 DJED CC1=C(C)C[C@@H](C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)CC1 842730157 VXWSFKDAFSFQSS-UONOGXRCSA-N 302.443 4.579 30 20 DJED C#CCCCCCC(=O)Nc1ccc2ccn(C(F)F)c2c1 855528975 DDTILASVDKGLIF-UHFFFAOYSA-N 304.340 4.559 30 20 DJED N#Cc1cc(N2Cc3cccc(Cl)c3C2)ccc1C(F)(F)F 864018610 ZDMNPCGMJSENHA-UHFFFAOYSA-N 322.717 4.751 30 20 DJED CCCCN(C(=O)/C=C\c1ccccc1C#N)C1CCCCC1 914514520 ZVYQASBNGUXPPN-YPKPFQOOSA-N 310.441 4.533 30 20 DJED C[C@H](OC(=O)c1cccc(CC#N)c1)c1cccc2ccccc12 920527992 HWJFWRKBCJUFKW-HNNXBMFYSA-N 315.372 4.824 30 20 DJED N#Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(F)c1 1124402491 JELDBNCHVWJZGC-UHFFFAOYSA-N 316.335 4.617 30 20 DJED Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(CC#N)cc1 1124481231 PFBJWORMMVFZCX-UHFFFAOYSA-N 316.360 4.573 30 20 DJED CCC[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@@H]2C 1129228047 ZPBGCWSCYNZTKO-YVECIDJPSA-N 316.470 4.680 30 20 DJED C[C@H]1CCC[C@H](CNc2c(Br)cccc2C#N)C1 1162267035 OKEYLKQNAIUZOK-RYUDHWBXSA-N 307.235 4.559 30 20 DJED CC[C@H](C)N(CCc1ccccc1F)Cc1ccc(C#N)s1 1190627078 DFPZAZMVOWAYCS-AWEZNQCLSA-N 316.445 4.602 30 20 DJED Cc1cccc([C@@H](NCCc2ccc(C#N)cc2)C(C)(C)C)c1 1192718604 DIROMGRYZNUKJE-HXUWFJFHSA-N 306.453 4.786 30 20 DJED CCCc1ccc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1 1204360743 WPJAQKCFXFMXDO-VQTJNVASSA-N 324.493 4.972 30 20 DJED N#CC1(CC(=O)Nc2cc(Cl)cc(Cl)c2)CCCCC1 1348642192 KHKOZRNADAUNMY-UHFFFAOYSA-N 311.212 4.796 30 20 DJED Cc1cc(C)cc(CC(=O)Nc2cc3ccccc3cc2C#N)c1 1436734188 VXYKJACYTPKJLJ-UHFFFAOYSA-N 314.388 4.510 30 20 DJED C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)c1cccc(F)c1C#N 1458233065 BYTSMSALHPASLK-CHWSQXEVSA-N 316.807 4.979 30 20 DJED Cc1ccccc1[C@H](C)C(=O)N(c1ccc(C#N)cc1)C1CCC1 1461768841 LUUOKXWBDSABMH-INIZCTEOSA-N 318.420 4.556 30 20 DJED CCCc1ccc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 1473180898 PUGOUXZGCTVAJK-FGZHOGPDSA-N 318.464 4.911 30 20 DJED C=C(CNC(=O)c1cc2cccc(Cl)c2o1)c1ccccc1 1524586625 FPXUDHNIVBFEJX-UHFFFAOYSA-N 311.768 4.529 30 20 DJED CCCC1(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCC1 1587914285 PBFXHQZRPFELGE-UHFFFAOYSA-N 314.429 4.644 30 20 DJED CN(CCC1CCCCC1)c1ccc(C#N)c(Br)c1 1611908644 JXUGUGKVZKCSPN-UHFFFAOYSA-N 321.262 4.727 30 20 DJED C[C@@H](Cc1cccs1)N(C)Cc1ccccc1C(C)(C)C#N 1615817547 BTTZZKZFTXJWGQ-HNNXBMFYSA-N 312.482 4.612 30 20 DJED CC1(C)CCc2ccccc2[C@H](NCc2cccc(C#N)c2F)C1 1617465399 QBQGENGCBRXJHT-LJQANCHMSA-N 322.427 4.891 30 20 DJED N#Cc1cc(Cl)ccc1CN[C@@H]1CCC[C@@H]1c1ccccc1 1620493730 GXKOTFQRNZJJQL-RTBURBONSA-N 310.828 4.638 30 20 DJED C[C@@H](CCC#N)CN(Cc1ccccc1)Cc1ccc(F)cc1 1621141220 TUNDSXJTANCREC-KRWDZBQOSA-N 310.416 4.768 30 20 DJED COc1ccc(Cl)cc1COc1c(C)cc(Cl)cc1C#N 1644018036 KYBFSPSBPXPSOJ-UHFFFAOYSA-N 322.191 4.761 30 20 DJED CC(C)C[C@H](Nc1snc(Cl)c1C#N)c1ccccc1 1651311574 OFJFCMJVBSJTOJ-ZDUSSCGKSA-N 305.834 4.867 30 20 DJED CCCCc1oc2ccccc2c1CN(C)c1ccncc1C#N 1651315348 AYHQNNCXGXAAKD-UHFFFAOYSA-N 319.408 4.678 30 20 DJED Cc1ccc(-n2ccnc2SCc2ccccc2C#N)c(C)c1 1652496399 VNRBWJAKJYRUPA-UHFFFAOYSA-N 319.433 4.653 30 20 DJED Cc1cc(CN[C@H]2CCCC[C@H]2Cc2ccccc2)ccc1C#N 1657088444 VTYKKNFGOUTUPT-UNMCSNQZSA-N 318.464 4.758 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1cccc(SC)c1 1776783805 MSYNDARUBCHORQ-MRXNPFEDSA-N 323.502 4.702 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1F 43275131 UBSCULHSRPKQPC-UHFFFAOYSA-N 318.779 4.699 30 20 DJED Cc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 66801857 BAPMIKYMNFJMHU-CQSZACIVSA-N 310.422 4.642 30 20 DJED CC[C@H](C#N)Oc1cccc(CN[C@H](CC)c2ccccc2)c1 72997933 AJFQKUHCNVHSHU-UYAOXDASSA-N 308.425 4.608 30 20 DJED Cc1ccsc1-c1nnc(S[C@@H](C#N)C2CCCCC2)o1 115187936 PPWGOWIGYSOKJA-LBPRGKRZSA-N 319.455 4.671 30 20 DJED COc1ccc(C(=O)/C=C\c2cccc(C(F)(F)F)c2)cc1 149096598 OEGOGTZGMYUYAH-YHYXMXQVSA-N 306.283 4.610 30 20 DJED N#CCCCCSCc1coc(-c2c(F)cccc2F)n1 155785299 JMUPOZDZOOQXHQ-UHFFFAOYSA-N 308.353 4.547 30 20 DJED CS[C@@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 172375241 RAJDSRNHROQXKP-QGZVFWFLSA-N 324.449 4.531 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)CCCc2cccs2)n1 177756844 DNUSWXYQVYTZNU-ZDUSSCGKSA-N 318.467 4.527 30 20 DJED Cc1coc2ccc(NC(=O)c3cccc(SCC#N)c3)cc12 187299260 NHKXBJHRKRXURM-UHFFFAOYSA-N 322.389 4.609 30 20 DJED C=CCC[C@H](C(=O)Nc1ccc(O)cc1CC)c1ccccc1 191060444 KWWHMTGOMLEULW-SFHVURJKSA-N 309.409 4.643 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1cccc(Cl)c1 277482316 WRFYJBFYVDIGNY-INIZCTEOSA-N 311.853 4.633 30 20 DJED C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(Oc2cccnc2)cc1 287160105 BRUJTVYSBZTNON-BQFCYCMXSA-N 321.424 4.607 30 20 DJED COc1ccc([C@@H]2CCCN2c2ccc(C#N)c(Cl)c2)cc1 301142318 COTDZQLXPBROEF-SFHVURJKSA-N 312.800 4.562 30 20 DJED C[C@H](NCC(C)(C)CCC#N)c1nc(-c2ccccc2)cs1 348246733 SHTJEPSJQHYAJH-AWEZNQCLSA-N 313.470 4.791 30 20 DJED CC[C@@H](C)Oc1cccc(N[C@H](C)c2ccc(OCC#N)cc2)c1 391964395 DTWPVJNEQQESIP-HZPDHXFCSA-N 324.424 4.939 30 20 DJED C[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1SC[C@H](C)C#N 424657452 DYKFUTSJAUTYIG-ILXRZTDVSA-N 316.470 4.703 30 20 DJED Cc1ccc([C@H]2CCC[C@H]2N(C)Cc2cccc(C#N)c2)cc1 441329169 CANJHFKJQGAVSH-NHCUHLMSSA-N 304.437 4.635 30 20 DJED C=C(C)[C@H](N[C@@H](CC)c1ccncc1)c1ccc(F)c(F)c1 453195522 KMVICJHHOPPNLQ-ROUUACIJSA-N 302.368 4.718 30 20 DJED C=CCC(CC=C)C(=O)N1CCC(=Cc2ccccc2F)CC1 467319463 YDVAMBUOFBEXSE-UHFFFAOYSA-N 313.416 4.600 30 20 DJED CCCCCN(C(=O)Nc1ccc(CC#N)cc1)[C@@H](C)CCC 475644109 KSGXXYNOPCMWDH-INIZCTEOSA-N 315.461 4.965 30 20 DJED C=C(C)[C@H](NC[C@@H](C)CC1CCOCC1)c1ccc(F)c(F)c1 479417807 GFODBTOPUOSACV-LIRRHRJNSA-N 323.427 4.624 30 20 DJED CC[C@@H](C)Sc1ccc(NCc2cc(C#N)n(C)c2)c(C)c1 480310403 RHWKAIGGVQUHEG-CQSZACIVSA-N 313.470 4.708 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1ccccc1CC 485030326 DKONIVTYJXOPHB-UHFFFAOYSA-N 300.446 4.849 30 20 DJED N#Cc1ccc(CNc2cc(Cl)ccc2OC2CCCC2)o1 495145853 HUMOJUNJZHRSLL-UHFFFAOYSA-N 316.788 4.738 30 20 DJED N#Cc1ccc(CSCc2cccc(OC(F)F)c2)c(F)c1 497508606 RAOSJKUEAUGIAV-UHFFFAOYSA-N 323.339 4.732 30 20 DJED N#CC1(CCCN(c2ccccc2)C2CCCC2)CCOCC1 499521084 VYAKDGDSDLTJIS-UHFFFAOYSA-N 312.457 4.536 30 20 DJED C=CCN(Cc1cnc(C(C)C)s1)Cc1ccccc1F 511524300 SECDUPIUXNASGP-UHFFFAOYSA-N 304.434 4.594 30 20 DJED C=CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 523940936 HCACICRTRUBYBN-KBPBESRZSA-N 306.475 4.512 30 20 DJED C=CC1CCN(C(=O)c2cc(C)n(C3CCCCC3)c2C)CC1 524696359 GHRSEHSSPHWOCT-UHFFFAOYSA-N 314.473 4.648 30 20 DJED N#Cc1ccc(C(=O)Nc2ccccc2Nc2ccccc2)s1 537504879 YBXWJIBVNBMMPP-UHFFFAOYSA-N 319.389 4.616 30 20 DJED C=CCC[C@H](NC1CCC(Oc2ccccc2C#N)CC1)C1CC1 537978642 BRAHCCSNHCLUHD-MHJFOBGBSA-N 324.468 4.583 30 20 DJED C=CCCC[C@@H](C)NC(=O)Nc1cccc(CC(F)(F)F)c1 540553930 RHGPQRAKZLLQKN-GFCCVEGCSA-N 314.351 4.658 30 20 DJED C=CCC(C)(C)c1noc([C@@H](C)Oc2ccccc2Cl)n1 551143938 RGOHOPOGXJZGPK-LLVKDONJSA-N 306.793 4.717 30 20 DJED Cc1nc(C(C)(C)C)sc1[C@@H](C)NCC(C)(C)CCC#N 562044562 HMAGWQQEZKOCRZ-GFCCVEGCSA-N 307.507 4.730 30 20 DJED N#CCc1ccc(CSc2ncc(-c3ccc(F)cc3)o2)cc1 564136081 JUKCOEWQTBIYIO-UHFFFAOYSA-N 324.380 4.839 30 20 DJED CC(C)Oc1cccc([C@@H](NCC(C)(C)CCC#N)C(F)F)c1 566473978 CDJUGGSVXALWII-MRXNPFEDSA-N 324.415 4.700 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NC1CCC(C(F)(F)F)CC1 611390867 VMPWGRLCBIFPAF-VMBOVVBDSA-N 322.374 4.646 30 20 DJED Cc1ccc2cc(C(=O)/C=C\c3cccc(OCC#N)c3)oc2c1 754829949 NXDDNGZIGIOLSQ-VURMDHGXSA-N 317.344 4.540 30 20 DJED N#Cc1cc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)ccc1F 756267728 NKDMSJDHXRSYHG-FNORWQNLSA-N 319.257 4.612 30 20 DJED C=CCC(CC=C)C(=O)OCc1nc(-c2cccs2)oc1C 759008151 REFQZFDKICKKKJ-UHFFFAOYSA-N 317.410 4.523 30 20 DJED C=C(Cl)COc1ccc([C@H](C)N[C@H](C)CC(F)(F)F)cc1 768271163 KBMOHAZHPCHKPG-NEPJUHHUSA-N 321.770 4.809 30 20 DJED C#CC[C@H](N[C@H](C)c1cnc2ccsc2c1)c1ccccc1 773116981 SNIYVIHFHYXTSL-PBHICJAKSA-N 306.434 4.712 30 20 DJED CCc1ccc(C(=O)/C=C/c2nc3c(s2)CCCC3)s1 776267366 YDSWHTCEARISAH-CSKARUKUSA-N 303.452 4.542 30 20 DJED C[C@H](Oc1ccc(C(=O)OCC(C)(C)C#N)cc1)c1ccccc1 788371547 BYQYQFVAXGBAQL-HNNXBMFYSA-N 323.392 4.533 30 20 DJED C=C[C@@H](CC(=O)Oc1ccc2cccnc2c1)c1ccccc1 791864080 VZMNJDAVPVFCAQ-HNNXBMFYSA-N 303.361 4.500 30 20 DJED CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCC2CCCC2)s1 797570580 IBNCFMLEELPCEA-ZDUSSCGKSA-N 304.459 4.587 30 20 DJED Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)CCCC#N 812493992 DEMHTYDWEDRKJZ-UHFFFAOYSA-N 312.800 4.948 30 20 DJED CC(C)(C)[C@H](C#N)NC(=O)c1c2ccccc2cc2ccccc12 813284377 YLJQFWNGJBQDCZ-SFHVURJKSA-N 316.404 4.661 30 20 DJED CCOc1ccc(NN=Cc2c(Cl)cccc2CC)cc1 814985745 RCFOQWSBSJHMGY-UHFFFAOYSA-N 302.805 4.747 30 20 DJED CC(CCCCC#N)=NNc1ccc(Br)cc1C 841627236 NUKVBOLFOGCZPC-UHFFFAOYSA-N 308.223 4.629 30 20 DJED CCN(Cc1c(C)nn(C(C)C)c1C)[C@H](C)c1ccc(C#N)cc1 891656430 NXSMBLFAYRYVIT-MRXNPFEDSA-N 324.472 4.536 30 20 DJED C=CCN(C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(C)C 920023862 HSIUIFWZWZVNQD-ZDUSSCGKSA-N 313.363 4.622 30 20 DJED O=C(/C=C\c1cn2cc(Cl)ccc2n1)c1cc2ccccc2o1 920754832 DRHMVWGQLOZFTN-SREVYHEPSA-N 322.751 4.630 30 20 DJED N#CC[C@@H](C(=O)N1CCC(C2CCCCC2)CC1)c1ccccc1 1130808313 YEULCDIZFBMBBO-HXUWFJFHSA-N 324.468 4.503 30 20 DJED CCc1ccc([C@@H]2CCN(Cc3ccc(Cl)cc3C#N)C2)cc1 1194714498 INLOOFQKWUGSTD-GOSISDBHSA-N 324.855 4.764 30 20 DJED C[C@@H]1CCCN(C(=O)Nc2cccc(CC#N)c2)c2ccccc21 1218103516 IDIYDRZFLZBGEF-OAHLLOKOSA-N 319.408 4.688 30 20 DJED CCOc1ccc(C#N)cc1NCc1cc(Cl)ccc1Cl 1308428493 BNTONBSXBWFAKF-UHFFFAOYSA-N 321.207 4.876 30 20 DJED C[C@H](/N=C/c1cc(Cl)ccc1O)c1nc(C(C)(C)C)cs1 1318332964 GNRPHIKLXNRYET-WBFHQNOSSA-N 322.861 4.980 30 20 DJED C=Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 1348100230 MCFZJMMALAHJSW-LBPRGKRZSA-N 322.433 4.640 30 20 DJED CCOc1ccc(C#N)cc1NC(=O)c1ccc([C@H](C)CC)cc1 1355573885 BXLDPZUYZWJIEP-CQSZACIVSA-N 322.408 4.723 30 20 DJED CC1(CC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC1 1460089132 PHIHDIKDRBOMLE-UHFFFAOYSA-N 322.433 4.838 30 20 DJED C[C@H](CC(C)(C)C#N)NCC1(c2ccc(C(F)(F)F)cc2)CC1 1462098091 VFMGBCRFJBQAQO-CYBMUJFWSA-N 324.390 4.655 30 20 DJED CN(c1c(C#N)nnc2ccccc12)C1CC(C)(C)CC(C)(C)C1 1472826757 HVLIPLBLPVSYKX-UHFFFAOYSA-N 322.456 4.543 30 20 DJED CCC[C@H](C)NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 1527280847 XMJANEPIPMERRO-HNNXBMFYSA-N 322.408 4.577 30 20 DJED C[C@@H](c1ccccc1)[C@@H](C)Nc1nc(C(C)(C)C)ccc1C#N 1559123820 PKBZOMFPFOIIKJ-HUUCEWRRSA-N 307.441 4.855 30 20 DJED Cc1ccc(SCc2ccc(C#N)cc2Br)cc1 1559335775 PVXNHQRLWHXIDO-UHFFFAOYSA-N 318.239 4.922 30 20 DJED CC(C)c1ccc2cc(C(=O)Nc3cccc(CC#N)c3)[nH]c2c1 1569186972 MOGWNPXXADAKEC-UHFFFAOYSA-N 317.392 4.610 30 20 DJED CC[C@H](C)c1ccc(NC(=O)CSc2cccc(C#N)c2)cc1 1613584341 SVNGWJIXTPMSEJ-AWEZNQCLSA-N 324.449 4.803 30 20 DJED N#Cc1cccc(Br)c1Nc1cccc(Cl)c1 1639174548 PYNRQAICZOJOEW-UHFFFAOYSA-N 307.578 4.718 30 20 DJED N#CC1(CCN2CCc3ccc(Cl)cc3C2)CCCCC1 1642563883 LTJZXURCOBCRGC-UHFFFAOYSA-N 302.849 4.562 30 20 DJED CC[C@@H](CN(CC)c1nc(C#N)c(Cl)s1)c1ccccc1 1651767462 QIHYEMHKOYKLOV-LBPRGKRZSA-N 319.861 4.688 30 20 DJED CC(C)(C#N)CCN1CC=C(c2cccc3ccccc23)CC1 1652376258 QWUNAUSNKPJAIC-UHFFFAOYSA-N 304.437 4.869 30 20 DJED Cc1ccc(CN(CC2(C#N)CC2)[C@H]2CCc3ccccc32)cc1 1653741210 SOARMWVLRWRQCV-NRFANRHFSA-N 316.448 4.788 30 20 DJED CCCCN(Cc1cccc(C#N)c1F)[C@H]1CCC[C@@H](C)C1 1654582370 GNAIEKFBZWOKKM-QAPCUYQASA-N 302.437 4.878 30 20 DJED COc1cc(CN(Cc2ccc(C#N)cc2)CC(C)C)ccc1C 1657106862 FSZXRLVXEQFYAB-UHFFFAOYSA-N 322.452 4.534 30 20 DJED N#Cc1ccc(CN(C/C=C\c2ccc(F)c(F)c2)C2CC2)cc1 1657529603 NRLXBEAYIGHPDQ-UPHRSURJSA-N 324.374 4.514 30 20 DJED C[C@H](N[C@@H]1CSC[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 1658829910 KZSHCOLDZWKIEK-AUSJPIAWSA-N 322.477 4.627 30 20 DJED COc1ccc(C#N)cc1NCc1ccc(C(F)(F)F)cc1C 1662606272 RGKQDTVEDDKPHZ-UHFFFAOYSA-N 320.314 4.506 30 20 DJED COc1cccc(/C=C/C(=O)c2ccc(C)cc2)c1OC(C)C 5128032 IKENRBLRWOVPNL-OUKQBFOZSA-N 310.393 4.687 30 20 DJED Cc1ccc(/C=C/C(=O)c2ccc(Cl)s2)cc1[N+](=O)[O-] 49524954 PKEBLQIDPNGDLD-SNAWJCMRSA-N 307.758 4.514 30 20 DJED N#Cc1ccsc1C(=O)Nc1ccccc1Oc1ccccc1 52028066 DBTHLMHUYJQIGC-UHFFFAOYSA-N 320.373 4.664 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2cccc(C(F)(F)F)c2)s1 134513860 ASYHTHLHIDOOSG-GQCTYLIASA-N 307.296 4.535 30 20 DJED C[C@H](C#N)CSc1ccccc1NCC#Cc1ccc(F)cc1 135574548 SKLFIVHSJKTHGF-OAHLLOKOSA-N 324.424 4.541 30 20 DJED CC(C)(C#N)CCCN1CCSC[C@@H]1c1ccc(Cl)cc1 174866282 KUPQZDZCWNWLPF-MRXNPFEDSA-N 322.905 4.760 30 20 DJED CCCCOc1cccc(NCc2ccc(O[C@@H](C)C#N)cc2)c1 177555285 MNOOWFCINMZFHL-INIZCTEOSA-N 324.424 4.768 30 20 DJED CC(C)Oc1ccc(N[C@@H](C)c2ccc(OCC#N)cc2)cc1 192956671 YNSZCFGPZAXOHT-HNNXBMFYSA-N 310.397 4.549 30 20 DJED CCCCCCCCCC(=O)N1CCC[C@H]1c1cccnc1 196210639 CRNOLUDFIGABHN-SFHVURJKSA-N 302.462 4.886 30 20 DJED Cc1cn2c(/C=C\C(=O)c3ccc(Cl)s3)c(C)nc2s1 209107604 FCCNTRRANFWNNL-ARJAWSKDSA-N 322.842 4.624 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1ccccc1Cl 277137060 BWBCECZPLOYRNO-OAHLLOKOSA-N 311.853 4.633 30 20 DJED C[C@@H](C#N)Oc1ccccc1NC(=O)CCCCC(C)(C)C 287943185 RQMUPWGVQJLSRJ-AWEZNQCLSA-N 302.418 4.522 30 20 DJED CC(C)c1ccccc1NC(=O)[C@@H](C)SCCC(C)(C)C#N 289345803 FXYIUYINBLLGAC-CQSZACIVSA-N 318.486 4.810 30 20 DJED Cc1cc(N[C@H](C)c2ccc(C#N)cc2)c(Cl)cc1[N+](=O)[O-] 301460882 ZCZBODGJYHGZIG-LLVKDONJSA-N 315.760 4.601 30 20 DJED N#Cc1nc(N2CCC[C@H]2c2ccccc2Cl)ccc1Cl 301530803 LBZMWWIMBCWPAX-HNNXBMFYSA-N 318.207 4.602 30 20 DJED C[C@H](N[C@H](CC(F)(F)F)c1ccccc1)c1ccc(C#N)cc1 319655539 FZCZOLJPHCMVSL-SUMWQHHRSA-N 318.342 4.903 30 20 DJED C[C@H](CCc1ccc(F)cc1)N[C@H](CCC#N)c1ccccc1 358330641 RJYDBFFFABXPFG-OXQOHEQNSA-N 310.416 4.781 30 20 DJED COc1cccc([C@@H]2CCCN2CCCCC(C)(C)C#N)c1 409447357 SODUAMPJRAPRTE-SFHVURJKSA-N 300.446 4.552 30 20 DJED CC[C@H](NCc1ccc(C#N)cc1Cl)c1cc(F)ccc1F 439432655 UVEPCBZNGNOMOW-KRWDZBQOSA-N 320.770 4.731 30 20 DJED CCC[C@H](NC1CCC(C)(C#N)CC1)c1ccc(F)cc1F 449185109 GANVBNNUTCDDGY-GMXGEUMGSA-N 306.400 4.868 30 20 DJED CC(C)CC[C@H]1CCCCN1C(=O)Nc1cccc(CC#N)c1 455907045 ORFQZNDAZLOCLL-GOSISDBHSA-N 313.445 4.575 30 20 DJED C=C[C@H](CC(=O)N1CC[C@H](C)c2cccc(O)c21)c1ccccc1 468822500 CNNXRJABCAVOFN-JKSUJKDBSA-N 321.420 4.592 30 20 DJED CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 476372841 JHONGCFYEJPIKA-YJBOKZPZSA-N 312.457 4.529 30 20 DJED Cc1ccc(-c2ccc(C)c(NC(=O)c3ccc(C#N)s3)c2)o1 477588043 GHVUJRGGBJUNDD-UHFFFAOYSA-N 322.389 4.749 30 20 DJED CC(C)c1occc1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 483631811 BUEKCEBYQDNVOS-UHFFFAOYSA-N 322.286 4.546 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1ccc(OC)cc1C 485404873 BGJDTJWOPMGQQL-UHFFFAOYSA-N 316.445 4.604 30 20 DJED CC(C)(C#N)c1ccccc1COc1cc(Cl)cc(C#N)c1 487326471 PNTYGWGYKDXOSU-UHFFFAOYSA-N 310.784 4.592 30 20 DJED FCCCCN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 509008358 MVCPQSLOGOALEG-LLVKDONJSA-N 317.248 4.648 30 20 DJED C[C@H]1CCC[C@@H](CC(=O)Nc2ccccc2SCCC#N)C1 524674513 MJBPLIXIOKJIKQ-LSDHHAIUSA-N 316.470 4.847 30 20 DJED CC(C)c1ccc([C@H]2CCCN2C(=O)c2ccc(C#N)s2)cc1 535498299 KFSJIQMLSGZGSU-QGZVFWFLSA-N 324.449 4.720 30 20 DJED CC#CCCNC(=O)Nc1ccc(Sc2ccccc2)cc1C 541706331 TZKJUOWPAQZBKP-UHFFFAOYSA-N 324.449 4.681 30 20 DJED CC(C)c1ccc(C(=O)Nc2ccc(C#N)cc2Cl)s1 544848868 KYTGFINHEQUJOL-UHFFFAOYSA-N 304.802 4.649 30 20 DJED CC(C)n1c([C@H]2CCCN2CCC(C)(C)C#N)nc2ccccc21 553708076 WQIYZATWDSTERV-GOSISDBHSA-N 324.472 4.694 30 20 DJED COc1ccc([C@H](C)NCC(C)(C)CCC#N)c2ccccc12 554364180 ZMUJMTRUIHOIKI-HNNXBMFYSA-N 310.441 4.829 30 20 DJED N#Cc1ccc2c(c1)[C@H](Nc1ccc3oc(C4CC4)nc3c1)CC2 581458546 XXSXTTPKLYPRFF-QGZVFWFLSA-N 315.376 4.676 30 20 DJED COc1ccc2oc(C(=O)/C=C/c3ccccc3F)c(C)c2c1 729151313 QZLIBDARKAKPTF-VQHVLOKHSA-N 310.324 4.785 30 20 DJED CCOc1ccc(O)c(C=Nc2ccc(SC(F)F)cc2)c1 730545611 CHLQINGGAINAHK-UHFFFAOYSA-N 323.364 4.856 30 20 DJED CCc1ccc(/C=C/C(=O)c2cccc(OC(F)F)c2)s1 731156736 KNLFKBDFJZLBDP-CMDGGOBGSA-N 308.349 4.808 30 20 DJED Cc1cc(F)ccc1C(=O)/C=C\c1csc(-c2ccccn2)n1 731320773 YXVZPOOVVPEQGL-VURMDHGXSA-N 324.380 4.549 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C/C=C/c3ccccc3)c2c1 734306616 HLMOCBSCAJGQJQ-NXZHAISVSA-N 303.361 4.629 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)/C=C/C1CCCCC1 735428900 MHIWUKLEZBOHCR-OUKQBFOZSA-N 324.468 4.679 30 20 DJED C#CC[C@H](NC(=O)Nc1ccccc1CCC)c1ccccc1 757761260 LIHCKRUVTRJFLQ-SFHVURJKSA-N 306.409 4.525 30 20 DJED CC(C)Oc1ccc(NCc2ccc(C(F)F)cc2)cc1C#N 763392983 KIRHZTCGSFACHY-UHFFFAOYSA-N 316.351 4.895 30 20 DJED CC(C)c1ncc(/C=C\C(=O)c2ccc(O)c(Cl)c2)s1 768751551 FVZOVNHTSYUEJX-XQRVVYSFSA-N 307.802 4.522 30 20 DJED CCc1nn(C)cc1/C=C\C(=O)c1cccc(-c2ccccc2)c1 770572448 IIETVJQJCNKDMF-SEYXRHQNSA-N 316.404 4.546 30 20 DJED C#CC[C@@H](N[C@@H](C)c1cnc2ccsc2c1)c1ccccc1 773116990 SNIYVIHFHYXTSL-WMLDXEAASA-N 306.434 4.712 30 20 DJED C=CC[C@@H](N[C@H](CC)c1cc(Cl)ccc1O)c1ccncc1 775507305 KCYCICPOQTZKBS-IAGOWNOFSA-N 316.832 4.799 30 20 DJED N#C[C@H]1CC[C@H](Sc2nc(-c3ccc(F)cc3)cs2)C1 788096729 GRQMFQIXGJOHTF-GWCFXTLKSA-N 304.415 4.734 30 20 DJED C=CCCCCC[C@H](C)Nc1cccc(CN2CCCC2=O)c1 793551091 WVBJPQCRMIPLAB-KRWDZBQOSA-N 314.473 4.746 30 20 DJED O=C(/C=C/c1c(Cl)nc2cc(Cl)ccn12)c1cccs1 794691564 QKCQCBOIXGPLDS-ONEGZZNKSA-N 323.204 4.599 30 20 DJED COc1ccc2cc(N[C@@H](C)c3ccc(C#N)cc3)ccc2c1 795325378 MQPOZWUHPPEEPN-AWEZNQCLSA-N 302.377 4.893 30 20 DJED C[C@H]1CC(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)C[C@H](C)C1 797566616 OVPIRXZAYNTTLW-YRGRVCCFSA-N 318.486 4.689 30 20 DJED CN(Cc1ccccc1)C1CCC(=NOCc2ccccc2)CC1 797787186 GHSCIKWYHRDCJE-UHFFFAOYSA-N 322.452 4.634 30 20 DJED CC(C)(C)c1ncc(/C=C\C(=O)c2ccc3ccccc3c2)cn1 806565469 OEMRDGVSZZAIIU-FLIBITNWSA-N 316.404 4.823 30 20 DJED C=CCC(F)(F)C(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 815880599 MHUIPOSGDQIFDL-INIZCTEOSA-N 307.384 4.685 30 20 DJED CC[C@H](Nc1ccc(OC)c(SC)c1)c1ccc(C#N)cc1 840773987 KQZWEFINRGARGL-INIZCTEOSA-N 312.438 4.852 30 20 DJED Cc1cc([C@@H](C)/N=C/c2cc3ccccc3nc2O)c(C)s1 914701424 IHVYCNMEARJHKV-AINDZBIGSA-N 310.422 4.799 30 20 DJED CC(=NNc1nc(Cl)c(Cl)cc1Cl)c1ccccc1 916319558 ZPFISOWXSSMTRK-UHFFFAOYSA-N 314.603 4.878 30 20 DJED CC(C)c1ccc(SCC(=O)Nc2cccc(CC#N)c2)cc1 1128980988 FWFHFPQITPISMI-UHFFFAOYSA-N 324.449 4.607 30 20 DJED N#Cc1c(F)cccc1N1CCC[C@H](c2ccc(F)cc2)CC1 1162916226 MTHNXBNQBIWAQD-AWEZNQCLSA-N 312.363 4.611 30 20 DJED Cc1ccc(C#N)c(NCc2ccc(-c3cccs3)cc2)n1 1163684658 AAHGXCSIRDYPMJ-UHFFFAOYSA-N 305.406 4.602 30 20 DJED Cc1cc(N(Cc2cccc(Cl)c2)CC(C)C)ncc1C#N 1187141512 UORNNSSDWPTILP-UHFFFAOYSA-N 313.832 4.578 30 20 DJED CCN(Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCCC[C@H]1C 1193413414 NJEDSUMLXVIHIG-CJNGLKHVSA-N 322.399 4.560 30 20 DJED N#Cc1ccc(C2CCN(CCCc3cccc(F)c3)CC2)cc1 1207604547 RZELNQRCANAGQJ-UHFFFAOYSA-N 322.427 4.510 30 20 DJED N#CC1(CSc2ncc(-c3ccc(Cl)cc3)[nH]2)CCCC1 1307408171 YRILWNFWGGYGEQ-UHFFFAOYSA-N 317.845 4.906 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)Cc1cc(Cl)cs1 1308609958 WIZZTXRMRLQKBO-UHFFFAOYSA-N 318.873 4.931 30 20 DJED CCCN(C(=O)CC1(C#N)CCCCC1)[C@@H]1CCc2ccccc21 1353035341 KWBYCGPLERRFTF-LJQANCHMSA-N 324.468 4.777 30 20 DJED CC(C)(C)C[C@@H](NC(=O)c1ccc(F)c(C#N)c1)c1ccccc1 1353676715 ZRJKBPHWINCGEI-GOSISDBHSA-N 324.399 4.605 30 20 DJED N#Cc1cc(F)cc(NC(=O)C2=C(c3ccccc3)CCCC2)c1 1438462735 RQJAWPIRMLLITQ-UHFFFAOYSA-N 320.367 4.664 30 20 DJED N#Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c(Cl)c1 1457794034 KFKPWFGYIVHYMN-SOUVJXGZSA-N 316.832 4.757 30 20 DJED CC(C)(C)c1ccc2c(c1)CCN2c1nc(C#N)c(Cl)s1 1458328622 BNQAZKXUMVMLPQ-UHFFFAOYSA-N 317.845 4.660 30 20 DJED Cc1c(Cl)cnc(N[C@@H]2CCC[C@@H]2CCC(C)C)c1C#N 1472683322 AJPLSPCOJIZCEA-CZUORRHYSA-N 305.853 4.932 30 20 DJED CC[C@@H](C)CN(C)CCC(C#N)(c1ccccc1)c1ccccc1 1473166306 RUIQDNXMFWCUQT-LJQANCHMSA-N 320.480 4.864 30 20 DJED CCCC[C@H](C)N(CCCC)C(=O)Nc1sccc1C#N 1563024670 SFZPQLMESUDFLR-ZDUSSCGKSA-N 307.463 4.832 30 20 DJED CCN(Cc1ccccc1C(C)(C)C#N)c1cccc(OC)c1 1616266507 VWSUEBIFDHXSPG-UHFFFAOYSA-N 308.425 4.523 30 20 DJED CC(C)(C)c1ccc2c(c1)CCN2Cc1ccc(F)cc1C#N 1617413595 RGOREDXQSCRZPB-UHFFFAOYSA-N 308.400 4.558 30 20 DJED CC[C@@H](c1ccccc1)N(C(=O)c1ccc(C)c(C#N)c1)C(C)C 1618605504 WARHMQDFBLZENX-FQEVSTJZSA-N 320.436 4.869 30 20 DJED C=C(Br)CN(Cc1ccc(C)cc1C)CC(C)C 1618760405 BPOVPJHDSRIYFV-UHFFFAOYSA-N 310.279 4.670 30 20 DJED N#Cc1c(F)cccc1CN1CCC[C@@H]1c1cccc(Cl)c1 1621162589 CHEGJOPJWABPRM-GOSISDBHSA-N 314.791 4.688 30 20 DJED CC1(C)CC[C@H](Nc2nc(Cl)c(C#N)s2)c2ccccc21 1642157501 WDEJVSIUUSYCCQ-LBPRGKRZSA-N 317.845 4.893 30 20 DJED Cc1cc(CNc2cccc(N3CCCCCC3)c2)ccc1C#N 1650706342 KDTRNDBPFMPEMO-UHFFFAOYSA-N 319.452 4.859 30 20 DJED Cc1ccc(CCCN2CC=C(c3ccc(C#N)cc3)CC2)cc1 1654015628 VKMKQYXBLXMBOF-UHFFFAOYSA-N 316.448 4.589 30 20 DJED Cc1ccc(NCc2ccc(C#N)cc2)cc1OCCC(C)C 1661516903 ZMKAIWCLFFIKKZ-UHFFFAOYSA-N 308.425 4.904 30 20 DJED Cc1ccc(C)c(C(=O)/C=C\c2ccc(C(=O)O)cc2Cl)c1 1776133491 YDJLZBHIFFOQLO-FPLPWBNLSA-N 314.768 4.551 30 20 DJED C=CCC(C)(C)CCNc1nc2ccccc2c(C)c1C(=O)O 1776150736 FJGVSCNWAKZWGJ-UHFFFAOYSA-N 312.413 4.646 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1c(C)cc(C)cc1C 1776783320 PKAMOMAUKDURON-SFHVURJKSA-N 319.489 4.905 30 20 DJED Oc1ccccc1/C=N/[C@@H]1CCSc2ccc(Cl)cc21 11119027 UQAGEIRVMRUONI-YFEUJDIGSA-N 303.814 4.702 30 20 DJED N#CCc1ccc(NC(=O)c2sccc2-c2ccccc2)cc1 15817978 OPZINZBOVRBFQR-UHFFFAOYSA-N 318.401 4.733 30 20 DJED Cc1ccc(CSc2nc(C)cc(C(F)(F)F)c2C#N)cc1 21514758 VAYKEYUVLDSBTP-UHFFFAOYSA-N 322.355 4.881 30 20 DJED CCc1ccc(CNc2ccc(C#N)cc2C(F)(F)F)s1 51717666 GLNMXUJUGYOWDZ-UHFFFAOYSA-N 310.344 4.813 30 20 DJED COc1ccc(NCc2ccccc2C(C)(C)C#N)cc1Cl 131422731 SZCYJWKYOLYOPJ-UHFFFAOYSA-N 314.816 4.762 30 20 DJED N#Cc1cccc(CN[C@H]2CCc3cc(Cl)cc(Cl)c32)c1 134311936 BPFYAAXRDCPBTI-INIZCTEOSA-N 317.219 4.642 30 20 DJED CCCCCCCC(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 145555570 VXJRACCTQDDAGK-ICSRJNTNSA-N 317.473 4.631 30 20 DJED C[C@H](C#N)Oc1ccc(CN[C@H](c2ccccc2)C(C)(C)C)cc1 237583587 HAVJTBRPJSVVBL-OXQOHEQNSA-N 322.452 4.854 30 20 DJED N#Cc1cc(Cl)ccc1N1CCC(OC2CCCCC2)CC1 301217011 ZGQMATZXHGGNSI-UHFFFAOYSA-N 318.848 4.530 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CCC(Cc2ccccc2)CC1 303686022 KKNQKOAHVCKZJE-QGZVFWFLSA-N 304.437 4.574 30 20 DJED C[C@@H](/N=C(/O)c1ccc2c(c1)N=C(O)C2(C)C)C1CCCCC1 328855645 XCFXQGZQLAVONN-GFCCVEGCSA-N 314.429 4.839 30 20 DJED CC[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1c(C)noc1C 360646951 LACOBEOPPNZRDQ-RBUKOAKNSA-N 323.440 4.672 30 20 DJED CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(C#N)cc1Cl 426142941 XFBLKWBRKHBVOG-BLLLJJGKSA-N 319.836 4.644 30 20 DJED Cc1c(C#N)cccc1NCc1ncc(-c2cccc(Cl)c2)o1 431352797 QJCWXZTVWBUIIL-UHFFFAOYSA-N 323.783 4.787 30 20 DJED C[C@@H](CC1CCCCC1)C(=O)N[C@@H](CCC#N)c1ccccc1 439657874 HUXOJJYBEGXKEH-LPHOPBHVSA-N 312.457 4.754 30 20 DJED C[C@H](c1cccc(C#N)c1)N1CC[C@H](CSc2ccccc2)C1 442669377 AYRMPEHNJQYXEC-AEFFLSMTSA-N 322.477 4.733 30 20 DJED C=CC(C)(C)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 450190648 VDIZKWVOXHPEBW-UHFFFAOYSA-N 323.889 4.635 30 20 DJED N#C[C@@H]1CCC[C@H](NCCCc2ccc(Cl)cc2Cl)C1 463239555 ZWBVTGRHFXBSOH-DOMZBBRYSA-N 311.256 4.598 30 20 DJED C=CCCCCCN(C)C(=O)c1cccc(Br)c1C 464081451 IAVLGJSEDOZLHZ-UHFFFAOYSA-N 324.262 4.576 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cscc1C 469902701 TVVNUXMMFUEVAB-UHFFFAOYSA-N 300.427 4.667 30 20 DJED C=CCN1CCC(N[C@H](C)c2ccc(-c3ccccc3)cc2)CC1 482622867 YFKAUARCHWISFV-GOSISDBHSA-N 320.480 4.655 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1csc(CC(C)C)n1 482787671 BBEDLTRRJHPXLW-UHFFFAOYSA-N 320.502 4.550 30 20 DJED CC(C)(C)[C@@H](NCc1ccc(C#N)c(F)c1)c1cccc(F)c1 484070716 SUVKJQBDZOSKFI-SFHVURJKSA-N 314.379 4.713 30 20 DJED Cc1ccccc1O[C@@H]1CCCC[C@H]1NCCCC(C)(C)C#N 484632454 ANICGVINKMBEHY-IEBWSBKVSA-N 314.473 4.605 30 20 DJED C=CCN(CC=C)C(=O)N[C@H](C)c1ccc(SC(C)C)cc1 509531405 CTAIWJGMUPEXTQ-OAHLLOKOSA-N 318.486 4.632 30 20 DJED C=CCC(C)(C)CN[C@H](Cc1ccncc1)c1ccc(OC)cc1 556218383 SOJCJUCHTPAWMF-HXUWFJFHSA-N 324.468 4.566 30 20 DJED CCCC[C@H](C)N(CCCC)C(=O)c1ccc(CC#N)cc1 571356693 ZZRREJPMQDNLFU-INIZCTEOSA-N 300.446 4.574 30 20 DJED COC1CCC(C)(CNc2cccc(C(F)F)c2C#N)CC1 581736610 BIWMAHQUBNJZGT-UHFFFAOYSA-N 308.372 4.503 30 20 DJED CN(c1ccccc1)c1ccc(CNCC(C)(C)CCC#N)cc1 588929595 YPVMBSSPBNEUMG-UHFFFAOYSA-N 321.468 4.874 30 20 DJED C=C(C)CN(CC)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 591606908 HLHCLIGEOWCQOY-QGZVFWFLSA-N 320.864 4.789 30 20 DJED CC[C@@H](C#N)c1ccc(-c2ccc(O[C@H]3CCOC3)cc2)cc1 592985170 UQEXLGBQLMQBAC-YWZLYKJASA-N 307.393 4.538 30 20 DJED C=CCCCCCN(C)C(=O)[C@H](C)SCc1ccccc1 610051268 MVTUOABBSDMOKL-INIZCTEOSA-N 305.487 4.513 30 20 DJED C[C@H](NCc1ccc(OC(C)(C)C)cc1)c1cccc(C#N)c1 611469304 GKRQOOXDVZFAEL-HNNXBMFYSA-N 308.425 4.586 30 20 DJED COc1cc(/C=C2/CCc3sccc3C2=O)ccc1SC 726894336 YDOGBNCBLDBBCV-XFXZXTDPSA-N 316.447 4.691 30 20 DJED CCCCCCCCCCC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 727735953 FLYUWZVZMPTJBQ-QGZVFWFLSA-N 319.493 4.647 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(C)s2)c(Cl)c1OC 730433589 GVXOPNXCODIUFC-FNORWQNLSA-N 322.813 4.623 30 20 DJED CCc1oc2ccccc2c1/C=C\C(=O)c1ccc(C#N)cc1 730568054 BAVCLEGBJGYOEF-QXMHVHEDSA-N 301.345 4.763 30 20 DJED Cc1ccc(/C=C/C(=O)c2cnn(-c3ccccc3)c2C)cc1F 731490427 WVXRYOJXHGISBS-ZHACJKMWSA-N 320.367 4.524 30 20 DJED Cc1cccc2nc([C@H](C#N)C(=O)CCCC3CCCCC3)[nH]c12 735793806 ZGUNWJNAOINGGC-MRXNPFEDSA-N 323.440 4.798 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1nccc2ccccc12 740764906 KEGKOBJFCZPXFB-MDZDMXLPSA-N 319.408 4.525 30 20 DJED N#Cc1ccc(SCc2cc([N+](=O)[O-])ccc2Cl)c(F)c1 741861009 UGJOZOHTHYWPHD-UHFFFAOYSA-N 322.748 4.551 30 20 DJED COCc1cccc(/C=C\C(=O)c2ccc3c(c2)CCCC3)c1 742431611 LFLHGJKAELSWJR-XFXZXTDPSA-N 306.405 4.608 30 20 DJED COCc1cccc(CON=C(C)c2cc3ccccc3o2)c1 746557382 BTEWUFXFWMDVGD-UHFFFAOYSA-N 309.365 4.520 30 20 DJED N#CCCCCOC(=O)c1c2ccccc2cc2ccccc12 747660439 KZSRMCKWUATJCD-UHFFFAOYSA-N 303.361 4.844 30 20 DJED COc1cccc(C(=O)/C=C\c2coc(-c3ccc(C)cc3)n2)c1 748440772 NGNRKUXLVBJRGR-KHPPLWFESA-N 319.360 4.555 30 20 DJED COc1cc(C)c([C@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1C 753661009 BUTPBDQGMWLFGD-HOTGVXAUSA-N 308.425 4.596 30 20 DJED CCn1nccc1/C=C\C(=O)c1ccc(-c2cccs2)cc1 753711692 LXHPJARMGNAJFM-KTKRTIGZSA-N 308.406 4.528 30 20 DJED Clc1nc(Cl)c(C=NNc2ccccc2Cl)s1 755471796 LGKDKGQYTMLVBR-UHFFFAOYSA-N 306.605 4.549 30 20 DJED CCOc1cccc(C=Nc2cc(-c3ncco3)ccc2C)c1O 759035962 MYJXWSNVWWNHCA-UHFFFAOYSA-N 322.364 4.505 30 20 DJED CCCCCCCCOC(=O)c1cnc([C@@H]2CCCO2)s1 760666233 UXWCVLDSHIBYDB-ZDUSSCGKSA-N 311.447 4.512 30 20 DJED O=C(/C=C/c1csc(Cl)c1Cl)c1ccc(Cl)nc1 761479428 KGXSXMSBAFIGDV-HNQUOIGGSA-N 318.612 4.999 30 20 DJED CCc1nc2ccccc2n1N=Cc1cc(C)n(CC(C)C)c1C 767373664 MIGYDGGSALFIFG-UHFFFAOYSA-N 322.456 4.555 30 20 DJED CC(=NNc1ccc(Cl)c(F)c1)c1ccc(C(C)(C)O)cc1 767387143 XPIIOJZKEKBRRD-UHFFFAOYSA-N 320.795 4.543 30 20 DJED C=CCC[C@@H](C(=O)OCc1ccc(Cl)cn1)c1ccccc1 778552298 LXFSZCLDTDLHCV-QGZVFWFLSA-N 315.800 4.528 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1ccccc1SC(F)F 785642038 MQRUBROVDNLSJS-LLVKDONJSA-N 312.385 4.574 30 20 DJED CCOc1ccc(/C=C/C(=O)c2ccc(C#N)cc2Cl)cc1 788360894 ORVQZMYDSSIFAU-UXBLZVDNSA-N 311.768 4.506 30 20 DJED O=C(/C=C\c1ccc(-c2ccccc2F)o1)c1ccnc(F)c1 794719505 LIJBEYQCRKLEDZ-ALCCZGGFSA-N 311.287 4.516 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@@H]2Nc1nc(Cl)c(C#N)s1 804352823 CZGIMMZSQUIPKO-JTQLQIEISA-N 321.833 4.695 30 20 DJED CC(C)(O)c1ccc(C=NNc2cccc3ccccc23)cc1 807966921 JZKBNJNLSNCYNT-UHFFFAOYSA-N 304.393 4.513 30 20 DJED CCCC(=CC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)CCC 813215288 WAPZZTCKBBBKNL-AWEZNQCLSA-N 324.346 4.803 30 20 DJED CC(C)(C)c1nc(C#N)c(NN=C2CC[C@H](c3ccccc3)C2)o1 814822115 RSSZBSAKKNPTNK-AWEZNQCLSA-N 322.412 4.579 30 20 DJED N#Cc1nc(SCc2ccc(Cl)cc2)sc1Cl 820598390 DGOFHVFYXMYYBN-UHFFFAOYSA-N 301.223 4.614 30 20 DJED Cc1cc(NC[C@H](C)CCC#N)ccc1NC(=O)OC(C)(C)C 877641114 MHDCFOLSCCYDOG-CYBMUJFWSA-N 317.433 4.694 30 20 DJED C=CCOc1cccc(/C=C/C(=O)c2c[nH]c3ccccc23)c1 915271461 WDDKVRQFKNGAJU-ZHACJKMWSA-N 303.361 4.629 30 20 DJED CC(C)C(CCc1ccccc1)=NNc1ncccc1Cl 917546400 LNWYWHVPZSAYGH-UHFFFAOYSA-N 301.821 4.792 30 20 DJED CC[C@H](C#N)C(=O)N[C@H](c1ccccc1C)[C@H]1CCC[C@@H](C)C1 1145003855 IXISSSSBZJRJON-NWGLXNPWSA-N 312.457 4.528 30 20 DJED CC1(C)CCC(CN2CC=C(c3ccc(C#N)cc3)CC2)CC1 1192947961 SSPFXVNFCJNKFK-UHFFFAOYSA-N 308.469 4.864 30 20 DJED CCC(C)(C)c1ccc(COC(=O)c2ccc(CC#N)cc2)cc1 1266640736 ZCWVBTKNYXDOBR-UHFFFAOYSA-N 321.420 4.797 30 20 DJED N#CC1(CC(=O)NC2CCC3(CCCCC3)CC2)CCCCC1 1269236441 ALACIYWGYFITTB-UHFFFAOYSA-N 316.489 4.860 30 20 DJED Cc1ccc([C@@H]2CCC[C@@H]2OC(=O)c2ccc(CC#N)cc2)cc1 1269820508 SHSVENRRGDRZDJ-PMACEKPBSA-N 319.404 4.554 30 20 DJED CC[C@H](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@@H]2C 1273945935 FGPDOVLGGCRSFD-VOAKCMCISA-N 318.486 4.926 30 20 DJED CC(C)c1ccc(/C=C\CC(=O)Nc2cc(F)cc(C#N)c2)cc1 1287804058 SSEJHZBUUDEJPC-ARJAWSKDSA-N 322.383 4.863 30 20 DJED N#Cc1ccc(F)c(CN[C@@H]2CCCC[C@@H]2c2ccccc2)c1 1308941448 WBWHGYIVUOHBLD-UYAOXDASSA-N 308.400 4.513 30 20 DJED CC[C@H](C)c1nnc(-c2cccc(Oc3ccc(C#N)cc3)c2)o1 1322890841 UCSFWUWZRYJUJK-ZDUSSCGKSA-N 319.364 4.914 30 20 DJED N#Cc1ccc(-c2nnc(-c3cc(Cl)cc(Cl)c3)o2)cc1 1341530724 DTNGNEIDFWGNSZ-UHFFFAOYSA-N 316.147 4.582 30 20 DJED N#Cc1cnc(SC(c2ccccc2)c2ccccc2)c(F)c1 1458051999 CWGCGCZODPFLNO-UHFFFAOYSA-N 320.392 4.974 30 20 DJED CCC[C@H]1CCc2ccccc2N1Cc1ccc(F)cc1C#N 1459720535 IIOHAUUILOKZQP-IBGZPJMESA-N 308.400 4.819 30 20 DJED CCc1ccc([C@H](C#N)N(C)C(=O)c2ccc(C(C)C)cc2)cc1 1460593301 ZJGJZWRMTWDGFQ-FQEVSTJZSA-N 320.436 4.709 30 20 DJED COc1cc(Cl)c(CNc2cc(C)cc(C#N)c2)cc1Cl 1461581706 OGKDWLQRCGYQAY-UHFFFAOYSA-N 321.207 4.794 30 20 DJED CCc1ccc([C@H]2C[C@@H](C)CCN2c2cccc(F)c2C#N)o1 1472708000 NOUKPAVVFDWXSZ-SCLBCKFNSA-N 312.388 4.830 30 20 DJED Cc1ccc(C2(CNC3CCC(C)(C#N)CC3)CCC2)cc1C 1474130165 KKKWFAVUCZJKSS-UHFFFAOYSA-N 310.485 4.787 30 20 DJED CN(Cc1ccc(C#N)cc1F)[C@H]1CCCC[C@H]1c1ccccc1 1474580605 ZNBDYYTWDQXHHT-FPOVZHCZSA-N 322.427 4.856 30 20 DJED C[C@H]1CCCN(C(=O)CC2(C#N)CCCCC2)c2ccccc21 1521525537 PDYICHWOCGKKEY-INIZCTEOSA-N 310.441 4.781 30 20 DJED Cc1ccc(C[C@@H]2CCCN([C@H](C)c3ccc(C#N)cc3)C2)cc1 1559512683 YHTVBVXIEJFDIM-NQIIRXRSSA-N 318.464 4.882 30 20 DJED Cc1c(Br)cccc1CSc1ccccc1C#N 1613551952 CWABYUYSXVKXQG-UHFFFAOYSA-N 318.239 4.922 30 20 DJED CCN(Cc1ccc(F)c(Cl)c1)[C@H](C)c1ccc(C#N)cc1 1641565032 KNFKRQMBADEMAK-CYBMUJFWSA-N 316.807 4.934 30 20 DJED CC[C@@H]1Cc2ccccc2CN1Cc1ccc(C#N)cc1Cl 1642633555 JAJFJSDJLUUKKO-GOSISDBHSA-N 310.828 4.549 30 20 DJED N#CC1(CCN2CCC[C@H]2c2ccc(F)cc2F)CCCCC1 1658993204 JIRUEDVLGROJAP-SFHVURJKSA-N 318.411 4.966 30 20 DJED N#Cc1ccccc1NC(=O)c1cccc(Oc2ccccc2)c1 15311812 HAXBHKHERSPOOI-UHFFFAOYSA-N 314.344 4.603 30 20 DJED O=C1/C(=C/c2cccc(F)c2)CC/C1=C\c1cccc([N+](=O)[O-])c1 23608994 HTFOFBMBJINPIH-KAVGSWPWSA-N 323.323 4.564 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)C[C@H](C)c1ccccc1 108437329 DRKIFJPVHJVURU-INIZCTEOSA-N 311.400 4.534 30 20 DJED CCO[C@H](C)c1nc(CSCc2ccccc2C#N)cs1 122780500 SYDRBQUMJVWQSB-GFCCVEGCSA-N 318.467 4.546 30 20 DJED Cc1ccc(Oc2ccccc2CNCc2ccc(C#N)o2)cc1 174365158 DMVNEZLCLWBVRT-UHFFFAOYSA-N 318.376 4.542 30 20 DJED N#CCCN(CCC#N)Cc1c2ccccc2cc2ccccc12 180043116 OOVPRDYWRHAWCT-UHFFFAOYSA-N 313.404 4.622 30 20 DJED N#C[C@H]1CCC[C@@H](Nc2ccc(COCc3ccccc3)cc2)C1 185748654 UZHRQIQGPLZDBA-PZJWPPBQSA-N 320.436 4.898 30 20 DJED Cc1coc2ccc(NC(=O)N(CCC#N)CCC(C)C)cc12 187959013 ZRQQYDJIQRGGOS-UHFFFAOYSA-N 313.401 4.535 30 20 DJED CC(C)[C@@H](Nc1ccc(C#N)cn1)c1ccc(C(F)(F)F)cc1 301800213 SKJHNZAFDUYCTR-MRXNPFEDSA-N 319.330 4.781 30 20 DJED CCCCCCCC(=O)Nc1ccc(N2CCCC2)cc1C 302926378 BTUARJAZZNVUNX-UHFFFAOYSA-N 302.462 4.894 30 20 DJED CCCCCN(C(=O)Nc1ccc(C#N)cc1)[C@H](C)CCC 303742024 ZKISXLUVBPTTBG-OAHLLOKOSA-N 301.434 4.771 30 20 DJED OC(=Nc1ncc(-c2ccccc2)cn1)C1CCC(F)(F)CC1 330133028 QTSFPDMLSCQHIN-UHFFFAOYSA-N 317.339 4.557 30 20 DJED C=C[C@H]1CCCCN1C(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1 428050724 BXEYEDPRZMHUQE-NSHDSACASA-N 323.223 4.655 30 20 DJED CC(C)[C@@H](c1ccc(F)cc1)N(C)Cc1ccc(C#N)s1 435281110 VOKKZMZZQMKCCF-KRWDZBQOSA-N 302.418 4.588 30 20 DJED C[C@@H](NCCc1c(Cl)cccc1Cl)c1ccc(C#N)cc1 439561915 PJTFFKZZOBQJCD-GFCCVEGCSA-N 319.235 4.758 30 20 DJED C=CCCCC(=O)N(C)c1ccc(OCc2ccccc2)cc1 440567123 MQDNCYUUQYOVQZ-UHFFFAOYSA-N 309.409 4.585 30 20 DJED CC[C@H](NC[C@H]1SCCc2ccccc21)c1ccc(C#N)cc1 447582121 YAQSFBKQQABJGK-VQTJNVASSA-N 322.477 4.630 30 20 DJED CC(C)CCN(CCC#N)CC1CCC(C(F)(F)F)CC1 468406552 CMSFCOBQJOBQFE-UHFFFAOYSA-N 304.400 4.617 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(F)c1F 471247933 ZQAWZUTXVAMMAQ-UHFFFAOYSA-N 316.351 4.575 30 20 DJED C=CCCC1(C(=O)Nc2ccc(COC3CCCC3)cc2)CC1 476082091 WDPFUTRALURTFZ-UHFFFAOYSA-N 313.441 4.831 30 20 DJED C=CCC[C@H](C(=O)Nc1ccc(C(C)=O)cc1)c1ccccc1 487638120 QKYHCUSRIPYJKC-IBGZPJMESA-N 307.393 4.578 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1ccc(-c2ccco2)cc1F 490510369 SKIVKBZGCKFLEU-AWEZNQCLSA-N 314.360 4.658 30 20 DJED C=C(C)CN(CC)C(=O)CS[C@H](C)c1cccc(Cl)c1 498116381 YAKWIPKNIJCQNW-CYBMUJFWSA-N 311.878 4.559 30 20 DJED C=CCCO[C@H](C)C(=O)N(c1ccccc1)[C@H](C)c1ccccc1 502780660 LBISYIXODMBPSA-QZTJIDSGSA-N 323.436 4.762 30 20 DJED N#Cc1cnc(N2CCC[C@@H]2c2ccccc2Cl)c(Cl)c1 513615861 VKTNJNBUYLWDLW-OAHLLOKOSA-N 318.207 4.602 30 20 DJED CC(C)(C#N)CCCSCc1cc(Cl)c2c(c1)OCO2 532455692 STHMCIYNIJRZHE-UHFFFAOYSA-N 311.834 4.632 30 20 DJED N#Cc1ccccc1CN[C@@H](c1ccccc1F)C1CCCC1 540423009 NKAFLMDUMKJFQH-HXUWFJFHSA-N 308.400 4.718 30 20 DJED C[C@@H](NCCSc1ccc(Cl)cc1)c1ccc(C#N)cc1 540597531 UKAGRSRDSGQWFN-CYBMUJFWSA-N 316.857 4.655 30 20 DJED C=CCC(CC=C)c1nc(-c2ccccc2OC(F)F)no1 545623295 NBRWMNLDFORDHB-UHFFFAOYSA-N 306.312 4.574 30 20 DJED C=CCC(C)(C)c1noc(Cc2ccccc2C(F)(F)F)n1 556364268 VYEOVDAWGOOPTN-UHFFFAOYSA-N 310.319 4.533 30 20 DJED Cc1ccc([C@H](c2noc(C3(C#N)CCCC3)n2)C(C)C)cc1 582512999 ITIITYOCFYQXAO-MRXNPFEDSA-N 309.413 4.501 30 20 DJED C=C(C)COc1cccc(NC(=O)N(C)[C@H]2CCC[C@@H](C)C2)c1 589741005 PGOGKZMGOLUVNA-WBVHZDCISA-N 316.445 4.684 30 20 DJED N#CC[C@@H]1CCCN(Cc2sc3ccccc3c2Cl)C1 595610795 CHUPJIWKJHDXHW-LBPRGKRZSA-N 304.846 4.680 30 20 DJED N#CC[C@H]1CCCN(C(=O)C2(C3CCCCC3)CCCCC2)C1 597905336 YDGAYOPBZJSHBL-QGZVFWFLSA-N 316.489 4.669 30 20 DJED N#Cc1ccc(COc2ccc(NC3CCCCC3)cc2)cc1 731842018 SBNAXWRELMKTJD-UHFFFAOYSA-N 306.409 4.882 30 20 DJED C=C(C)CN[C@H](c1ccccc1Cl)c1ccccc1OC 742262085 LJMVKVIUQHKHJR-GOSISDBHSA-N 301.817 4.604 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1ccccc1Cl 746345169 AGWNLQQSTOHKCX-KTKRTIGZSA-N 302.805 4.630 30 20 DJED CCCN(CC)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746658605 FUHMRMNYJFPRLE-LJQANCHMSA-N 321.424 4.606 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C\c1coc(-c3ccccc3)n1)CC2 753900074 HLTUHASIMLSXGS-ATVHPVEESA-N 315.372 4.863 30 20 DJED N#Cc1ccccc1/C=C1\CSc2ccc(Cl)cc2C1=O 755584664 NFJAWZWDULGIKP-NTUHNPAUSA-N 311.793 4.584 30 20 DJED C[C@H](Nc1cccc(CC(F)(F)F)c1)c1ccc(C#N)c(F)c1 777697908 XYCOBLYNXOWRJZ-NSHDSACASA-N 322.305 4.975 30 20 DJED O=C(/C=C\c1scnc1C1CC1)c1ccc(F)c(Cl)c1 782331693 XDXKJNAWLYCRQP-WAYWQWQTSA-N 307.777 4.709 30 20 DJED Cc1ccc2c(c1)OCC/C(=C\c1ccc3cnccc3c1)C2=O 782346806 CZNJKUHVERPHND-SFQUDFHCSA-N 315.372 4.592 30 20 DJED CC(/C=C/C(=O)c1ccc(C)s1)=C\c1cccc([N+](=O)[O-])c1 787170111 SJIICHVRZXNLJJ-VTKKNFPDSA-N 313.378 4.807 30 20 DJED C/C=C(/CC)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 789620883 LLQCCDRBRWWGEI-QVPMKYOVSA-N 304.393 4.637 30 20 DJED CCCCc1oc2ccccc2c1C=NNCCC(F)(F)F 794553322 QAABYDMXJUWKQU-UHFFFAOYSA-N 312.335 4.651 30 20 DJED O=C1/C(=C\c2ccc(C(F)F)cc2)COc2c(F)ccc(F)c21 794946938 ZHCRKOVCRYPIOK-XFFZJAGNSA-N 322.257 4.561 30 20 DJED CC(=NNc1ncccc1F)[C@@H]1C[C@H]1c1ccc(Cl)s1 794984801 NHJGXNQTGBYSAP-VHSXEESVSA-N 309.797 4.527 30 20 DJED N#Cc1ccccc1C(=O)/C=C/c1nc(-c2ccccc2)cs1 799500125 SKMWEWWIINPPSR-ZHACJKMWSA-N 316.385 4.578 30 20 DJED C[C@@H]1/C(=C\c2cnc(-c3ccco3)s2)C(=O)c2ccccc21 809156551 LHDRKZPNACAXOP-ZRRZQRFHSA-N 307.374 4.787 30 20 DJED O=C(/C=C/c1cccc(C(F)(F)F)c1)c1ccc2c(c1)CCO2 834875461 ZHDUOVLDZGGTPC-GQCTYLIASA-N 318.294 4.536 30 20 DJED CCCC(C)(C)C(=O)N(O)Cc1cc(Cl)cc(Cl)c1 901379712 COMGJJWJMSHPOZ-UHFFFAOYSA-N 304.217 4.538 30 20 DJED CCCCCCC(=O)N(Cc1ccco1)c1ccccc1C#N 914515649 ZGQKJANZUXEOKN-UHFFFAOYSA-N 310.397 4.655 30 20 DJED N#CCCCCOC(=O)C1(c2cccc(Cl)c2)CCCCC1 914626524 PLBLTHVFEFIDBV-UHFFFAOYSA-N 319.832 4.779 30 20 DJED C=CCN(C(=O)c1cc(-c2ccco2)nc2ccccc12)C(C)C 914683136 HTEIVASWTZDVRO-UHFFFAOYSA-N 320.392 4.531 30 20 DJED C=CCN(C(=O)c1cccc(OCc2cccc(C)c2)c1)C(C)C 915153560 QPPINUFADZXUJC-UHFFFAOYSA-N 323.436 4.611 30 20 DJED CCN(Cc1cc(C#N)ccc1OC)c1ccc2ccccc2c1 1191692542 YBMXOFOXKMVKSM-UHFFFAOYSA-N 316.404 4.747 30 20 DJED Cc1c(Cl)ccc2c1N(Cc1ccc(CC#N)cc1)CCC2 1191774117 SNBUQNMLFKLECU-UHFFFAOYSA-N 310.828 4.667 30 20 DJED Cc1ccc(C)c([C@H]2CCCN2Cc2ccc(F)c(C#N)c2)c1 1192183554 JKICLQOFHFFPSN-HXUWFJFHSA-N 308.400 4.651 30 20 DJED CC1(C)CCCN(C(=O)c2ccc(C3CCCCC3)cc2)[C@@H]1C#N 1271631228 OJFJHJTYTPVWCF-LJQANCHMSA-N 324.468 4.889 30 20 DJED Cc1cc(Oc2ncnc3sc(C)c(C)c23)c(C)c(C)c1C#N 1307114975 CRMWVVXKXBULFA-UHFFFAOYSA-N 323.421 4.897 30 20 DJED COC[C@@H](S[C@H](C#N)CCc1ccccc1)c1ccccc1 1307405093 LBYZGABNIRRKAT-RBUKOAKNSA-N 311.450 4.632 30 20 DJED CCc1ccc(C=NOCc2coc(-c3ccc(C)cc3)n2)cc1 1317756749 LWKPGHZSTICRCH-UHFFFAOYSA-N 320.392 4.763 30 20 DJED CCCCCC[C@H](CC)C(=O)Nc1ccc(OCC#N)cc1 1339174502 TUTOPTUULPGPPJ-HNNXBMFYSA-N 302.418 4.524 30 20 DJED CCCCc1ccc(-c2nnc(-c3ccc(C#N)cc3)o2)cc1 1345867037 LKRMTVJTPCPUNS-UHFFFAOYSA-N 303.365 4.618 30 20 DJED CCC[C@H](CC1CCCCC1)C(=O)Nc1cc(C)c(C#N)cn1 1437190821 UPHIOFRJQACKJU-MRXNPFEDSA-N 313.445 4.587 30 20 DJED Cc1cc(OC(C)C)ccc1Nc1nc(Cl)c(C#N)s1 1458117154 URBNRDOTBZJAMN-UHFFFAOYSA-N 307.806 4.507 30 20 DJED Cc1ccc2c(C(=O)O[C@@H](C)c3ccc(C#N)cc3)csc2c1 1515137917 XDFREQHDJCEIRO-ZDUSSCGKSA-N 321.401 4.999 30 20 DJED C[C@H]1CC[C@@](C)(C(=O)Nc2cc(C#N)c3ccccc3n2)C1(C)C 1520854649 RPQJANRPLDNXHM-RBZFPXEDSA-N 321.424 4.507 30 20 DJED CC(C)[C@H](NC(=O)CC(C)(C)C#N)c1ccc(C(C)(C)C)cc1 1523920871 NDBXOUIGZKQBFH-SFHVURJKSA-N 314.473 4.737 30 20 DJED CC(C)(Cc1cccc(Cl)c1)C(=O)O[C@H]1CCC[C@H](C#N)C1 1525048976 POVOBXPZSRJQRX-HOCLYGCPSA-N 319.832 4.534 30 20 DJED C[C@@H]1CC(C)(C)c2cccc(NC(=O)C3(C#N)CCCCC3)c21 1538363057 PCTFUXBDUBBFJY-CQSZACIVSA-N 310.441 4.884 30 20 DJED C[C@H]1C[C@H](CCNc2nc(C#N)c(Cl)s2)CC(C)(C)C1 1612324577 BSHVAUYQABDNOM-QWRGUYRKSA-N 311.882 4.933 30 20 DJED N#Cc1ccc(CNCC2CCC(c3ccccc3)CC2)c(F)c1 1620784948 DWLONBZKKKFTNF-UHFFFAOYSA-N 322.427 4.761 30 20 DJED N#Cc1c(F)cccc1CN1CCC[C@H]1CC1CCCCC1 1621170362 LDZUIEPBSOJCKA-KRWDZBQOSA-N 300.421 4.632 30 20 DJED Cc1ccc(CN(Cc2ccc(C#N)cc2C)C(C)(C)C)cc1 1647831166 JTDXSAXKFWSVOP-UHFFFAOYSA-N 306.453 4.976 30 20 DJED N#CC1(CCSc2nc3cc(F)c(F)cc3[nH]2)CCCCC1 1652593447 ZHGUZQFDZRODKD-UHFFFAOYSA-N 321.396 4.797 30 20 DJED Cc1ccc(CN(Cc2ccc(F)cc2C#N)CC(C)C)c(C)c1 1653986618 BMGLDLKFFJVPSF-UHFFFAOYSA-N 324.443 4.972 30 20 DJED Cc1cc(C#N)cc(NCc2csc(-c3ccsc3)n2)c1 1658123156 QMKOBAGDPMJYPT-UHFFFAOYSA-N 311.435 4.664 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1cc(Cl)cs1 1776782965 PPIUJENAZBSLEK-CYBMUJFWSA-N 317.882 4.695 30 20 DJED C#CCCCCC(=O)Nc1ccc(SCc2cccnc2)cc1 119530061 XDZWWKCVOAAKIQ-UHFFFAOYSA-N 324.449 4.506 30 20 DJED C=CCC[C@H](NC(=O)N[C@@H](CC)c1ccncc1)c1ccccc1 160374181 GRQFDKCTVPPINN-OALUTQOASA-N 323.440 4.539 30 20 DJED CCOc1ccc([C@H]2CCCN2CCCC(C)(C)C#N)cc1 174811660 TUBWLWNPGHZUIV-GOSISDBHSA-N 300.446 4.552 30 20 DJED CC[C@@H](NCc1nc(C(C)(C)C)cs1)c1ccc(C#N)cc1 278818360 SGLGZGHSRPASJW-OAHLLOKOSA-N 313.470 4.553 30 20 DJED CCC(C)(C)C1CCC(/N=C(/O)[C@@H]2C[C@H](C)CC(O)=N2)CC1 328724832 YTSDQCZYBARHGP-PPWQZUPISA-N 308.466 4.693 30 20 DJED Cc1nc(C2(/N=C(/O)[C@@H]3CCCC(C)(C)C3)CCCCC2)no1 328792717 RNGOSEIZHASJRD-CQSZACIVSA-N 319.449 4.710 30 20 DJED CC(C)(C)[C@@H]1CCC[C@@H](/N=C(/O)c2ocnc2C2CC2)CC1 329677957 WVHWPBOTOYAWSO-ZIAGYGMSSA-N 304.434 4.852 30 20 DJED OC(=Nc1cccc(Cl)c1)C1CCC(/N=C(/O)C2CC2)CC1 329987704 GJUVIOZZGSMUCT-UHFFFAOYSA-N 320.820 4.853 30 20 DJED Cc1ccc(C(=O)Nc2ccccc2SCCC#N)c(C)c1 341809815 RQTHEMJJYHRJSJ-UHFFFAOYSA-N 310.422 4.562 30 20 DJED C=CCSc1ccccc1C(=O)N(C)Cc1ccc(C)s1 362757598 SDQZBZFWTYWGSF-UHFFFAOYSA-N 317.479 4.607 30 20 DJED C=CCC[C@H](NC(=O)N(C)[C@H]1CC[C@H](C)C1)c1ccccc1 429002883 ZOACXMPJSJGDKO-SZMVWBNQSA-N 300.446 4.524 30 20 DJED C=CC[C@@H](C(=O)Nc1scnc1C(C)C)c1ccccc1 456445945 ZQEXZIMUIXLRRB-CQSZACIVSA-N 300.427 4.565 30 20 DJED Cc1ccc([C@H]2OCCC[C@@H]2CNc2ccc(F)cc2C#N)cc1 463059553 PVXCPNKNZVQKAH-OXQOHEQNSA-N 324.399 4.586 30 20 DJED CCCCn1ccnc1-c1cccc(N[C@@H]2CCC[C@H](C#N)C2)c1 463302902 SYANZJGIVFALPY-FUHWJXTLSA-N 322.456 4.844 30 20 DJED C[C@H](C(=O)N(CC(C)(C)C)CC(C)(C)C)c1cccc(C#N)c1 464287135 SWRWPEZYSBLDPE-HNNXBMFYSA-N 314.473 4.583 30 20 DJED N#C[C@@H]1CC[C@@H](N[C@@H](CCc2ccccc2)c2ccccc2)C1 471599588 ULUJTWZEYSNJHQ-NRSPTQNISA-N 304.437 4.642 30 20 DJED CCN(CCCCOC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 475046202 JIANQFZZIOEJBJ-INIZCTEOSA-N 302.462 4.536 30 20 DJED C=C(C)CS[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 477005954 ADBNZDRTWFVRHM-LLVKDONJSA-N 308.834 4.684 30 20 DJED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N(C)c1ccccc1C#N 489727025 UXXDOJXMIASJDW-NVXWUHKLSA-N 318.420 4.511 30 20 DJED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)C(C)C 498070100 AQTYANFDSNWSAB-HNNXBMFYSA-N 322.408 4.890 30 20 DJED C[C@@H](NCc1ccc2ccccc2c1)c1ccc(C#N)c(F)c1 539606370 BSGVCKUXBPQLSF-CQSZACIVSA-N 304.368 4.701 30 20 DJED C[C@@H]1CC[C@H](C(=O)Nc2sc(-c3ccccc3)cc2C#N)C1 540645978 SAUSGNWQQNQGBK-OCCSQVGLSA-N 310.422 4.661 30 20 DJED CCCC(C)(C)N(Cc1cccs1)C(=O)CC(C)(C)C#N 549320890 CKNMOJPUVGOZNP-UHFFFAOYSA-N 306.475 4.595 30 20 DJED Cc1ccc(Oc2ccc(NC[C@@H](C#N)CCC#N)cc2)cc1 554452465 UWLQXSDSSKTGLB-MRXNPFEDSA-N 305.381 4.643 30 20 DJED Cc1ccc(-c2csc(CNc3ccc(C#N)cc3)n2)cc1 559142442 IZNVZVYKNACLOY-UHFFFAOYSA-N 305.406 4.602 30 20 DJED CC1(C)CCN(C(=O)c2ccc(Cl)c(C#N)c2)c2ccccc21 564235344 BVINDRXFXUFJLI-UHFFFAOYSA-N 324.811 4.540 30 20 DJED C=CCC(C)(C)c1noc([C@H]2C[C@H]2c2ccccc2Cl)n1 577404743 NQKVXLSRCQZGOI-STQMWFEESA-N 302.805 4.848 30 20 DJED Cc1cc(Sc2ccccc2)ccc1NC(=O)C1(C#N)CCC1 579524953 ZSASOWISLWNKRK-UHFFFAOYSA-N 322.433 4.779 30 20 DJED C[C@H](Nc1ccc(Oc2cccnc2)cc1)c1ccc(C#N)cc1 584018515 MOANUFOKFTZWAM-HNNXBMFYSA-N 315.376 4.919 30 20 DJED COc1cc(SC)ccc1N[C@@H]1CCCc2cc(C#N)ccc21 618578800 DOOBPLICUKKSQX-QGZVFWFLSA-N 324.449 4.778 30 20 DJED C=CCCC(C)(C)NC(=O)c1ccccc1CCC(F)(F)F 622980418 BVAWDMCEOBWDIU-UHFFFAOYSA-N 313.363 4.656 30 20 DJED C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 657973992 WAMIDYKEQWVQDN-GEALJGNFSA-N 317.448 4.770 30 20 DJED C=CCCNC(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 661572762 ZLUVZPDJAKDNEG-OAHLLOKOSA-N 314.454 4.597 30 20 DJED C=CCCC(C)(C)NC(=O)Nc1cccc(-c2ncco2)c1C 667130901 IPXNDXZINXALIL-UHFFFAOYSA-N 313.401 4.516 30 20 DJED CC(C)(C)Sc1ccc(NC(=O)C2(C#N)CCCCC2)cc1 726758273 URQHESLZIWWWPA-UHFFFAOYSA-N 316.470 4.990 30 20 DJED Fc1cc(F)cc(NN=Cc2csc(-c3cccs3)n2)c1 728429294 CILGBJBKQQMNPN-UHFFFAOYSA-N 321.377 4.596 30 20 DJED CCCCCCCC(=O)N1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C 731889492 DKPMTTDTVWOQAL-HLIPFELVSA-N 317.473 4.724 30 20 DJED COc1cccc(C=Nc2ccc3nc(C4CC4)sc3c2)c1O 746340986 YKXIVTGJSCXQQT-UHFFFAOYSA-N 324.405 4.639 30 20 DJED Cc1nc(-c2ccc3ccccc3c2)n(CCCC(C)(C)C#N)n1 747808044 AWJAFYROVKMEAF-UHFFFAOYSA-N 318.424 4.737 30 20 DJED CCOc1ccc(Cl)cc1C(=O)/C=C/c1cc(C#N)cs1 748440565 NMKMVWQSZRBZTO-SNAWJCMRSA-N 317.797 4.568 30 20 DJED CCOC(=O)Nc1ccc(N[C@@H](C)c2ccccc2C)cc1C#N 752796151 LIHDWRZHGFNPDP-AWEZNQCLSA-N 323.396 4.608 30 20 DJED COCc1cccc(/C=C/C(=O)c2cc3ccc(C)cc3o2)c1 754829978 OHPRNUYOSVYSJW-VQHVLOKHSA-N 306.361 4.784 30 20 DJED Cc1ccsc1C(Cc1ccccc1)=NO[C@@H]1CCCCO1 755823670 YVMKLBKCTPWIOO-QGZVFWFLSA-N 315.438 4.547 30 20 DJED C#C[C@@H](C)N(C)C(=O)Nc1ccc(Sc2ccccc2)cc1C 770267504 YLQKQCLGJDEYKB-OAHLLOKOSA-N 324.449 4.632 30 20 DJED CCCCCCCCCCc1nc(-c2ccc(O)nc2)no1 771187498 SOWRQYDMTGUKKA-UHFFFAOYSA-N 303.406 4.520 30 20 DJED COc1cc(Cl)ccc1N[C@H](C)c1ccc(C#N)c(F)c1 775579120 LLPAAQAHZBZRAQ-SNVBAGLBSA-N 304.752 4.532 30 20 DJED C#CCCCCCC(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1 779807747 MXDKZJJJZMRVAM-OAHLLOKOSA-N 317.860 4.976 30 20 DJED O=C(/C=C/c1ccc2cnccc2c1)c1c[nH]c2cc(F)ccc12 782326472 GQUXDUPCOSHHPH-QHHAFSJGSA-N 316.335 4.751 30 20 DJED COCCc1ccccc1N=Cc1cc(Cl)cc(Cl)c1O 786027520 LBZSWXIVWOUTGO-UHFFFAOYSA-N 324.207 4.639 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2scc(C)c2Cl)cc1 790534057 VPQIAHPCRBRGHV-UHFFFAOYSA-N 318.829 4.579 30 20 DJED CC[C@H](NCc1cccc(O[C@@H](C#N)CC)c1)c1cccc(C)c1 796816036 IOFPCMWADXXUNG-CTNGQTDRSA-N 322.452 4.917 30 20 DJED CCc1cccc(C)c1NN=Cc1c(C2CC2)nc2sccn12 799493702 MFIORIVXOLCTJK-UHFFFAOYSA-N 324.453 4.590 30 20 DJED N#C[C@H]1CC[C@@H](Nc2ccc(OCc3ccccc3F)cc2)C1 799734880 QMWCVLKHZIKSAR-WMLDXEAASA-N 310.372 4.509 30 20 DJED C=C(C)COc1cccc(NCc2ccnc(Cl)c2Cl)c1 811470604 HJVFVBBUSJYMRZ-UHFFFAOYSA-N 323.223 4.955 30 20 DJED COc1ccsc1C(=O)/C=C\c1cscc1C(F)(F)F 811694461 SFTOPHIIVNWVNK-IHWYPQMZSA-N 318.341 4.733 30 20 DJED C=CCC(F)(F)C(=O)N1CCC[C@@H]1c1cccc2ccccc12 815101234 QZXRZURSCSWCLL-QGZVFWFLSA-N 315.363 4.715 30 20 DJED Cc1ccccc1C=NOCc1nc(-c2ccccc2)oc1C 818238308 ISGLDOOFUKJVLW-UHFFFAOYSA-N 306.365 4.509 30 20 DJED Cc1cc(Cl)ccc1C[S@](=O)CCC1(C#N)CCCCC1 841720130 HYAUUJJBTUAWPO-OAQYLSRUSA-N 323.889 4.761 30 20 DJED Cc1ccccc1[C@H](C)CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842942102 NBIJTWSMGBZOGS-CZUORRHYSA-N 324.449 4.699 30 20 DJED C=CCC[C@H](NC(=O)OCc1ccccc1C)c1ccccc1 859073892 POLIGRCZEKJUDT-IBGZPJMESA-N 309.409 4.929 30 20 DJED O=C(/C=C/c1ccc(F)c(F)c1)c1ccccc1C(F)(F)F 916136458 OAGZXVHLWFRXQT-SOFGYWHQSA-N 312.237 4.880 30 20 DJED CC1(C)CCc2cc(/C=C/C(=O)c3ccc(C#N)cc3)ccc2O1 920240996 JDMMTUNLCMXFDH-WEVVVXLNSA-N 317.388 4.558 30 20 DJED Cc1nc(C)c([C@H](C)N(C)CCCCC2(C#N)CCC2)s1 929601545 NPLOCQVJGOPOFS-AWEZNQCLSA-N 305.491 4.617 30 20 DJED Cc1cccc2c(C(=O)Nc3ccc(C#N)cc3Cl)coc12 1127110764 HCHDAIWZADEFJR-UHFFFAOYSA-N 310.740 4.519 30 20 DJED CC(C)[C@H]1CCc2ccccc2N1Cc1ccc(F)cc1C#N 1168934439 XMOIERLPMOKSSZ-LJQANCHMSA-N 308.400 4.675 30 20 DJED CC[C@@H](Nc1nc(C#N)c(Cl)s1)c1ccc(F)cc1F 1185430222 VNWHLBGTURTNSP-SNVBAGLBSA-N 313.760 4.510 30 20 DJED COc1c(Oc2ccc(Cl)c(C#N)n2)ccc2ccccc12 1186492069 NSSNDMPFBJXMIN-UHFFFAOYSA-N 310.740 4.561 30 20 DJED Cc1cc(C)c(/C=C/CN[C@@H]2CCc3cc(C#N)ccc32)cc1C 1202243251 UOAGNQMVCIGXSL-TWKPZUECSA-N 316.448 4.774 30 20 DJED N#C[C@H]1CCC[C@H](OC(=O)c2ccc3c(c2)oc2ccccc23)C1 1275465325 USTPRGKZGIMLOB-ZFWWWQNUSA-N 319.360 4.825 30 20 DJED CC[C@H](C#N)C(=O)Nc1ccc(Sc2cc(C)ccc2C)cc1 1290059995 RTZWTRTYYNCBPL-OAHLLOKOSA-N 324.449 4.943 30 20 DJED CCCc1ccc(-c2ccc(Nc3cc(C#N)ncn3)cc2)cc1 1472701191 HUUFZQAEIUCJDF-UHFFFAOYSA-N 314.392 4.711 30 20 DJED Cc1c(C(=O)O[C@@H](C)c2cccc(C#N)c2)oc2ccc(F)cc12 1516882587 RYLUTSHJEQZJDB-LBPRGKRZSA-N 323.323 4.670 30 20 DJED CC[C@H](C)c1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 1524022768 FISRSQVOOHEBFJ-LBPRGKRZSA-N 312.800 4.977 30 20 DJED C[C@H](OC(=O)[C@]1(c2ccccc2)CC1(C)C)c1ccc(C#N)cc1 1524301393 HAXVLPLFWOKCDB-YCRPNKLZSA-N 319.404 4.530 30 20 DJED COc1cc(C#N)ccc1CN[C@H](CC(C)C)c1ccccc1C 1559701673 AHZIXTIINAPEKW-HXUWFJFHSA-N 322.452 4.752 30 20 DJED Cc1cc(Cl)cc(C)c1CN(Cc1ccc(C#N)cc1)C1CC1 1560706474 KWJNAONUDINPCF-UHFFFAOYSA-N 324.855 4.993 30 20 DJED C=C(CNC(=O)N[C@H]1CCC[C@H]1CCC(C)C)c1ccccc1 1563924972 MOYKJAYRSJMOGQ-OALUTQOASA-N 314.473 4.604 30 20 DJED CC(C)[C@H](C(=O)O[C@H]1CCC[C@H](C#N)C1)c1cccc(Cl)c1 1583565138 CINOEAXYOKXIAU-JQFCIGGWSA-N 319.832 4.705 30 20 DJED CC[C@H](C#N)C(=O)Nc1ccc(Sc2ccc(C)cc2C)cc1 1624027308 OLUNDNHDTQLHHR-OAHLLOKOSA-N 324.449 4.943 30 20 DJED N#Cc1ccc(CCN2C[C@H]3CCCC[C@@]32c2ccccc2)cc1 1644801947 JHRZMUFKCKFWHF-FGZHOGPDSA-N 316.448 4.502 30 20 DJED CC(C)(C)c1ccc(C2CCN(c3ccncc3C#N)CC2)cc1 1651082115 ZYZVRUKERQDRNV-UHFFFAOYSA-N 319.452 4.635 30 20 DJED Cc1ccc([C@@H]2[C@@H](C)CCCN2Cc2cccc(C#N)c2F)cc1 1653438962 YOIMZLOAYDUGPM-KKSFZXQISA-N 322.427 4.979 30 20 DJED C[C@@H](Cc1ccc(-c2ccccc2)cc1)NCC(C)(C)CC#N 1659422984 ZIXDXBGJLMEOGQ-KRWDZBQOSA-N 306.453 4.814 30 20 DJED Cc1cc(C#N)cc(NC(=O)Nc2cccc3ccsc23)c1 1662642556 MSNMUAFYVUGJFS-UHFFFAOYSA-N 307.378 4.725 30 20 DJED O=C(O)/C=C\c1ccc(/C=C\C(=O)c2ccc(C3CC3)cc2)cc1 1777623835 BIKMJENJWZKKIL-GFIWHYBVSA-N 318.372 4.558 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1ccc(F)cc1Cl 43263050 AMQSKKQSTVVTMP-UHFFFAOYSA-N 324.808 4.761 30 20 DJED C=CC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 110359636 VYZSZLRHTXMSTM-UONOGXRCSA-N 324.251 4.522 30 20 DJED C[C@@H](NCc1cc(C#N)ccc1F)c1cccc(C(F)(F)F)c1 120114643 WXJQJHUZZOZDSQ-LLVKDONJSA-N 322.305 4.567 30 20 DJED CSc1ccc(Nc2ccc(C#N)c(Br)c2)cc1 228173934 GDHZRUJENKACCZ-UHFFFAOYSA-N 319.227 4.786 30 20 DJED COc1ccc([C@@H](C)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 321892367 LRWPPUFONHDDQK-LLVKDONJSA-N 320.314 4.759 30 20 DJED C=C(C)CN(Cc1ccccc1)Cc1cc2ccccc2nc1O 348234070 SDAMLVHUYURULI-UHFFFAOYSA-N 318.420 4.519 30 20 DJED C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(C2CC2)cc1 417353878 KEYYXYNYNJBTMX-KBPBESRZSA-N 308.400 4.987 30 20 DJED C=CCC(C)(C)CN[C@H](Cc1ccncc1)c1cccs1 424328669 AOQSVSMPWNDKRD-MRXNPFEDSA-N 300.471 4.619 30 20 DJED CCC[C@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)c1ccccc1 425641171 UZPOYLVIMMMYHO-UZLBHIALSA-N 320.436 4.662 30 20 DJED CC1(C#N)CCC(NC2(c3ccc(Cl)cc3)CCC2)CC1 453160351 GHLONGGWMBVMNA-UHFFFAOYSA-N 302.849 4.781 30 20 DJED N#C[C@@H]1CCC[C@@H](NCCCc2ccc(Cl)cc2Cl)C1 463239556 ZWBVTGRHFXBSOH-IUODEOHRSA-N 311.256 4.598 30 20 DJED COc1ccc(-c2nc3cc(Cl)ccc3n2C2CC2)cc1C#N 463917861 ZJWLTIGOUOBFFY-UHFFFAOYSA-N 323.783 4.572 30 20 DJED CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 505557368 IYZODXAPLKMXIN-RHSMWYFYSA-N 313.445 4.578 30 20 DJED C=CCOc1ccc(CN[C@H]2CCc3ccc(Cl)cc32)cc1 506633357 PMBHRHDXCHGOLW-IBGZPJMESA-N 313.828 4.682 30 20 DJED Cc1ccc(-c2nc(CSc3ccc(C#N)cc3)cs2)o1 509668871 SKOAMTGYOAEZPX-UHFFFAOYSA-N 312.419 4.876 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1ncsc1C(C)C 516680302 ICDBFLNQSDDURU-UHFFFAOYSA-N 321.471 4.548 30 20 DJED C=CCCC[C@H](C)NC(=O)N1CC[C@H]1c1ccc(Cl)cc1 553192758 OKRCJHSLELWNBA-BBRMVZONSA-N 306.837 4.541 30 20 DJED C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1Cc1ccc(C#N)o1 557000367 OCUCUYIXGFDSBB-SNVBAGLBSA-N 321.207 4.577 30 20 DJED CC(C)(CCC#N)CN[C@H]1CCC[C@@H]1c1ccc(Cl)cc1 558239118 ZIFWCKLHDVJKLQ-SJORKVTESA-N 304.865 4.896 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cc2ccccc2o1 568156258 OPQWZXCBNOQVRP-FQEVSTJZSA-N 316.404 4.862 30 20 DJED CC(C)(CCC#N)CNCCCc1c(Cl)cccc1Cl 571771402 FERFNLAPROWDQX-UHFFFAOYSA-N 313.272 4.846 30 20 DJED C[C@@H](NC[C@@H](c1ccccc1)C1CC1)c1ccc(C#N)c(F)c1 590255489 PZKJTOJWMPDDHD-KUHUBIRLSA-N 308.400 4.542 30 20 DJED CC[C@@H](C#N)c1ccc(-c2ccc(NC(=O)C(C)(C)C)nc2)cc1 592986356 MXCISPHHPLUASC-AWEZNQCLSA-N 321.424 4.750 30 20 DJED CC(C)Oc1ccccc1[C@H](C)Nc1c(F)cc(C#N)cc1F 604531509 ZDPYMIDIWOUMPX-LBPRGKRZSA-N 316.351 4.797 30 20 DJED N#Cc1nnc2ccccc2c1Oc1cc(Cl)cc(Cl)c1 610128213 FYUXPBNUEXVLBT-UHFFFAOYSA-N 316.147 4.601 30 20 DJED C=CCN(Cc1ccccc1)Cc1coc(-c2cccs2)n1 642098900 SYEIRBAREOJMGE-UHFFFAOYSA-N 310.422 4.591 30 20 DJED N#Cc1ccc(NC(=S)NC2CCCCCCC2)cc1Cl 726436560 ZEMVLAVZKPMOQS-UHFFFAOYSA-N 321.877 4.611 30 20 DJED CC(C)(C)c1ccc(C=NOCc2cc(-c3ccco3)on2)cc1 727438016 WRKHQUKFQYQBEQ-UHFFFAOYSA-N 324.380 4.783 30 20 DJED CC[C@@H](CC(=O)N(CCC#N)c1ccc(C)cc1)c1ccccc1 728862780 LCKBFCDKOCQUAS-SFHVURJKSA-N 320.436 4.826 30 20 DJED CCc1oc2ccccc2c1C=NNc1ccc(F)cc1F 730540423 DQVTWEVDPSYYRI-UHFFFAOYSA-N 300.308 4.719 30 20 DJED Cc1ccc(/C=C/C(=O)c2cccc(OC(F)F)c2)cc1F 731490091 QHUVANPKYDHAKT-BQYQJAHWSA-N 306.283 4.632 30 20 DJED C#CCCOc1ccc(CN[C@H](c2ccccc2)C(C)(C)C)cc1 733324388 VJGYLLLHMBGFSF-OAQYLSRUSA-N 321.464 4.966 30 20 DJED C=CC[C@H](NC(=O)CCCCc1ccc(C)cc1)c1ccncc1 734456998 DYIHZABIDKFHNW-FQEVSTJZSA-N 322.452 4.536 30 20 DJED C=CC[C@H](NC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccncc1 734459717 JYIWGBRBXGKFMS-RYRKJORJSA-N 314.473 4.668 30 20 DJED Cc1cc(C)c2c(c1)OC/C(=C/c1nccc3ccccc13)C2=O 740764960 LLIUIIFARBFVTG-WJDWOHSUSA-N 315.372 4.510 30 20 DJED Cc1cccc2c1OC/C(=C/c1cc3cc(F)ccc3o1)C2=O 741843430 JUKRPHHAXJBAES-LCYFTJDESA-N 308.308 4.539 30 20 DJED N#Cc1csc(C(=O)OC2c3ccccc3-c3ccccc32)c1 752166733 CHSVLMTVZOZSHE-UHFFFAOYSA-N 317.369 4.547 30 20 DJED N#CCSc1ccccc1C(=O)Nc1cccc2ccsc12 752473433 HLMYCIGHUGAOKI-UHFFFAOYSA-N 324.430 4.769 30 20 DJED C=C(C)[C@@H](CC(=O)Nc1ccc(SC(C)(C)C)cc1)OCC 755841047 JCTBPKZEYVMHID-MRXNPFEDSA-N 321.486 4.887 30 20 DJED N#Cc1cccc(CN(Cc2ccccc2O)C2CCCCC2)c1 756336060 NSUZLFZHHDEWAL-UHFFFAOYSA-N 320.436 4.599 30 20 DJED C=CC[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1ccncc1 756583535 PHAWPNGAGIWPPH-YWZLYKJASA-N 322.452 4.634 30 20 DJED C#CC[C@H](N[C@@H](C)c1ccc2ccccc2c1O)c1ccccc1 756774921 FCCMLGBMAJRUAB-KKSFZXQISA-N 315.416 4.961 30 20 DJED CC(C)c1ncc(/C=C/C(=O)c2ccc(F)c(Cl)c2)s1 758429362 HYOQLIQHZNPYAI-GQCTYLIASA-N 309.793 4.955 30 20 DJED O=C(/C=C/c1nc(Cl)cs1)c1ccc2cc(O)ccc2c1 759083202 IFFSVMJESHBBKC-AATRIKPKSA-N 315.781 4.551 30 20 DJED Cc1ccc(C(=O)/C=C\c2nc3ccc(F)cc3s2)s1 761477732 NQTDBUXZKQVMEW-ALCCZGGFSA-N 303.383 4.701 30 20 DJED O=C1/C(=C/c2sccc2Cl)CCOc2cc(F)ccc21 782352197 RHWKKCVCPJZTIN-VQHVLOKHSA-N 308.761 4.589 30 20 DJED CCC(=NNc1nc(C(F)(F)F)cs1)c1cccc(F)c1 783521321 RVVDHIODEUGCHM-UHFFFAOYSA-N 317.311 4.527 30 20 DJED CC(=NNc1ccc(C(F)(F)F)cc1)c1cnn(C(C)C)c1C 787162481 LBZKMNQOFQPGME-UHFFFAOYSA-N 324.350 4.627 30 20 DJED CCc1cccc(Cl)c1C=NNc1cc([N+](=O)[O-])ccc1C 788712987 OUJLZLCZJDJYCH-UHFFFAOYSA-N 317.776 4.565 30 20 DJED CC[C@](C)(C#N)C(=O)Oc1ccc([C@H](C)c2ccccc2)cc1 796979034 ALIAYUHEUBJDNJ-FOIQADDNSA-N 307.393 4.684 30 20 DJED Cc1cc(C(=O)/C=C/c2cccc(-c3cccnc3)c2)oc1C 799897420 PDYOSEXMGAHHLP-CMDGGOBGSA-N 303.361 4.855 30 20 DJED O=C(/C=C\c1cc(F)ncc1F)c1cc(Cl)sc1Cl 806567173 FHGMRQMXZKVRPN-UPHRSURJSA-N 320.147 4.624 30 20 DJED Clc1ccccc1C=NNc1ccccc1Br 812460982 CAUXLICCIDQDLC-UHFFFAOYSA-N 309.594 4.549 30 20 DJED CCOc1ccc(NN=Cc2ccccc2C(F)(F)F)cc1 814985161 VEKSNMIOIDTCTC-UHFFFAOYSA-N 308.303 4.550 30 20 DJED O=C(/C=C/c1ccc2oncc2c1)c1ccc(F)c(Cl)c1 821039872 SZQYYGWFEZHKCK-ORCRQEGFSA-N 301.704 4.516 30 20 DJED CC(C)=CCC[C@@H](C)CC(=O)[C@@H](C#N)c1cnc2ccccc2n1 842775771 QBIRTHPLZDQWCC-CVEARBPZSA-N 321.424 4.579 30 20 DJED Cn1ncc(C2CC2)c1/C=C/C(=O)c1cc(Cl)ccc1Cl 849242347 YXWJMNGIALNYJE-VOTSOKGWSA-N 321.207 4.500 30 20 DJED CCC(Cc1ccc(C(F)(F)F)cc1)=NOCc1cccnc1 853322978 KGBLXTVZACKZTN-UHFFFAOYSA-N 322.330 4.626 30 20 DJED CCNc1ccc(C#N)cc1NCc1cccc(C(F)(F)F)c1 864037462 IMSPUVWBLLHFOU-UHFFFAOYSA-N 319.330 4.621 30 20 DJED C=C[C@@H](Cc1nc(-c2ccc(F)c(C)c2)no1)c1ccccc1 904398859 XRVAGOFUEVUBCD-AWEZNQCLSA-N 308.356 4.696 30 20 DJED C=CCN(Cc1cccs1)C(=O)NC1CCCCCCC1 915884521 ACURMZVTMTWSGD-UHFFFAOYSA-N 306.475 4.559 30 20 DJED CCCc1ccc(C(=O)/C=C/c2cccc(OC)c2OC)cc1 916133732 KFRIXRQJPYMVQN-BUHFOSPRSA-N 310.393 4.552 30 20 DJED Cc1ccc(-c2cccc(CNc3cc(C)c(C#N)cn3)c2)cc1 1162818956 MYFXHJBUJOEVDT-UHFFFAOYSA-N 313.404 4.849 30 20 DJED CCCC[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cc1OC(F)F 1168981038 LMUVZACAUBCCGM-ZBFHGGJFSA-N 322.399 4.608 30 20 DJED N#CC1(CCN2CCSC[C@H]2c2ccccc2)CCCCC1 1191039936 UCFIJTCEZZFVQD-SFHVURJKSA-N 314.498 4.641 30 20 DJED CC(C)(C)[C@@H]1CCC[C@H](NC(=O)Nc2sccc2C#N)CC1 1207293312 PCKNQQMEGWPSGD-KGLIPLIRSA-N 319.474 4.736 30 20 DJED CC(C)N(Cc1ccc(F)cc1)Cc1ccc(Cl)cc1C#N 1307434801 NETHILJGVZJILD-UHFFFAOYSA-N 316.807 4.761 30 20 DJED Cc1ccc(C)c2c1OC/C(=C\c1ccc3ncccc3c1)C2=O 1317970829 DBOYEABLSQMYDT-GZTJUZNOSA-N 315.372 4.510 30 20 DJED CCc1ccc([C@@H](NC(=O)c2cc(C#N)ccc2C)C(C)C)cc1 1349343487 KMHSZHVTRZSFJB-FQEVSTJZSA-N 320.436 4.556 30 20 DJED CC[C@H](CC1CCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 1354788405 XTXRHBMDHHTLAN-CYBMUJFWSA-N 304.821 4.757 30 20 DJED Cc1nsc(N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)c1C#N 1458438613 DJEGSFZWYAXRFY-OCCSQVGLSA-N 317.845 4.725 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NC/C=C\c1ccc(F)c(F)c1 1461584360 ITBVSBFXYJQJIF-ZBADOCLRSA-N 324.374 4.517 30 20 DJED CC(C)N(C/C=C/c1ccc(F)cc1)Cc1ccc(C#N)cc1 1461862369 CHJAJYJTCHCXFJ-ONEGZZNKSA-N 308.400 4.621 30 20 DJED CC[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(C#N)cc1F 1461935001 CVLWURHNTJWSQX-FPOVZHCZSA-N 322.427 4.856 30 20 DJED CCSc1ccc(Cl)cc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 1535479691 XCAMZEHMIQSZOP-WCQYABFASA-N 323.845 4.691 30 20 DJED CCc1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)cc1CC 1545081977 IANAVOPYQCWHNM-FQEVSTJZSA-N 320.436 4.586 30 20 DJED Cc1csc(NC(=O)N2CC[C@H](C(C)(C)C)C[C@H]2C)c1C#N 1562766384 BPSIFDJCLPGGNW-OLZOCXBDSA-N 319.474 4.607 30 20 DJED C[C@H]1Cc2c(sc(NC(=O)CCC3(C)CC3)c2C#N)[C@H](C)C1 1583694348 IYPPNEHUXCRVAB-VXGBXAGGSA-N 316.470 4.824 30 20 DJED CC(C)Cc1ccc(C(=O)Nc2ccc(Cl)cc2C#N)cc1 1617557024 OSLHMDHOENJQGR-UHFFFAOYSA-N 312.800 4.662 30 20 DJED Cc1nsc(NCC(C)(C)CCCc2ccccc2)c1C#N 1639485680 LDZIWQLIGAZPOU-UHFFFAOYSA-N 313.470 4.784 30 20 DJED CCc1ccc([C@H]2C[C@@H](C)CCN2Cc2ccc(C#N)cc2C)o1 1641887130 HIRBNVXOIHKIRS-MGPUTAFESA-N 322.452 4.995 30 20 DJED CC(C)(C)c1ccc(C2CCN([C@H]3CC[C@@H](C#N)C3)CC2)cc1 1643151189 VTVYDUFWJKFUET-UZLBHIALSA-N 310.485 4.856 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1ccccc1OC(F)F 1644017691 FQCZKJBJHGKRPD-UHFFFAOYSA-N 323.726 4.701 30 20 DJED CC[C@@H](C)c1ccc([C@@H](Nc2ccnc(C#N)n2)C(C)C)cc1 1651323695 JNUDRZTZAOCPGM-KUHUBIRLSA-N 308.429 4.671 30 20 DJED N#Cc1ccccc1SCCc1ccc(OC(F)(F)F)cc1 1651816061 QLQQYZYOVDFZTC-UHFFFAOYSA-N 323.339 4.792 30 20 DJED Cc1cc(Nc2ccc(N3CCCC[C@@H]3C)cc2C)ncc1C#N 1655273320 DTGDPXGCGHASEV-INIZCTEOSA-N 320.440 4.693 30 20 DJED CC(C)[C@@H]1/C(=C/c2cc(C(=O)O)ccc2F)C(=O)c2ccccc21 1776308628 IRXVNAMFGCXMDZ-FJJYYWMZSA-N 324.351 4.543 30 20 DJED N#Cc1ccc(NC(=O)c2cc3ccccc3s2)cc1Cl 15600042 ASPWZHLIWZTYIY-UHFFFAOYSA-N 312.781 4.679 30 20 DJED Cc1cc(Br)ccc1N[C@H](C)c1ccc(C#N)cc1 19905592 ZKCBPDFAQZPYJG-GFCCVEGCSA-N 315.214 4.802 30 20 DJED C=CCSc1ccccc1NC(=O)CSC1CCCC1 60927134 BGXZMGOGIFHCHZ-UHFFFAOYSA-N 307.484 4.579 30 20 DJED COc1cc(C(=O)/C=C/c2sccc2C)ccc1OC(F)F 149547433 WDNLASQZHXNWCT-GQCTYLIASA-N 324.348 4.563 30 20 DJED C=CCCC[C@@H](C)NC(=O)Nc1ccc(C)c(-c2ncco2)c1 179694417 LEZMMLPYZOAAPZ-CQSZACIVSA-N 313.401 4.516 30 20 DJED Cc1ccccc1NC(=O)[C@H](C)S[C@H](C)c1cccc(C#N)c1 190888991 HZWIHKXJBIOSBS-CABCVRRESA-N 324.449 4.688 30 20 DJED N#Cc1c(F)cccc1Nc1cccc(COCc2ccco2)c1 301137139 BLVMUTMRLAQPGA-UHFFFAOYSA-N 322.339 4.751 30 20 DJED O/C(=N/C1CC(c2ccccc2)C1)c1coc(C2CCCC2)n1 328740291 IHZVGVPHRMTCDS-UHFFFAOYSA-N 310.397 4.583 30 20 DJED Cc1nc(-c2ccccc2NCc2cccc(F)c2C#N)cs1 427434808 LFXCNAOAUDNQKM-UHFFFAOYSA-N 323.396 4.741 30 20 DJED C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 437277202 PIPYKSZAHBSERQ-SGIREYDYSA-N 312.240 4.568 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1cc(Cl)c(Cl)cc1F 439956932 NMJWFWTXQVVGCA-MRVPVSSYSA-N 305.180 4.609 30 20 DJED CCC(C)(C)c1ccc(NC(=O)N(CCC#N)CC2CC2)cc1 448121621 ICDAZPQOPTUJRM-UHFFFAOYSA-N 313.445 4.532 30 20 DJED C=CCN(CC=C)C(=O)N[C@H](CC(C)C)c1ccc(Cl)cc1 465969713 RDKZYDQMJLCODU-QGZVFWFLSA-N 320.864 4.811 30 20 DJED C=CCCN(C)C(=O)Nc1cc(F)ccc1Oc1ccccc1 466566571 YRPXJRNZDPHDOS-UHFFFAOYSA-N 314.360 4.658 30 20 DJED CCN(CCC#N)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 470170197 QFVHNRYYEKOIAD-INIZCTEOSA-N 308.425 4.659 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1ccc(C(C)(C)C)s1 471170621 WEAQUBCSBOZJBQ-UHFFFAOYSA-N 306.475 4.590 30 20 DJED C=C(C)[C@H](NC(=O)N(CC)[C@H](C)C(C)C)c1ccc(F)c(F)c1 483288629 HVHIAMLTPRHQPS-DYVFJYSZSA-N 324.415 4.658 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1cc(Cl)c(C)cc1Cl 488926837 BIXOKSFOYYXXDI-LLVKDONJSA-N 313.228 4.874 30 20 DJED CCOc1ccccc1CN(CC)[C@@H](C)c1ccc(C#N)cc1 497619287 RSJYWVFZZSUVHB-INIZCTEOSA-N 308.425 4.540 30 20 DJED CC[C@H](Nc1ccc(C#N)cc1F)c1ccccc1OC(F)F 498869928 ZYZKSQZIJKUINV-AWEZNQCLSA-N 320.314 4.862 30 20 DJED C=C(C)CCc1noc([C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)n1 508614914 MFNUYYXKSSUJJP-CHWSQXEVSA-N 322.330 4.868 30 20 DJED COc1ccc([C@@H]2CCCN2c2cccc(Cl)c2C#N)cc1 514485118 GXSUDJGNYBQTBW-KRWDZBQOSA-N 312.800 4.562 30 20 DJED Cc1ccc(-c2ccncc2)cc1N[C@@H](C#N)C1CCCCC1 522380521 AGLGMQYRSIDLSF-FQEVSTJZSA-N 305.425 4.941 30 20 DJED C=C[C@@H](CC(=O)NC[C@H](CC)c1ccccc1)c1ccccc1 533917917 LOGMTQUALQHNID-ROUUACIJSA-N 307.437 4.656 30 20 DJED C=CCCC[C@H](C)NC(=O)N1CCCCC[C@H]1c1ccco1 539464873 CANKCPYHFPVXBZ-HOTGVXAUSA-N 304.434 4.651 30 20 DJED C[C@@H]1C[C@H]1[C@H](NCCCC(C)(C)C#N)c1ccc(Cl)cc1 540522227 XWGHTSUXMNTFII-KBRIMQKVSA-N 304.865 4.957 30 20 DJED CCCN(Cc1ccc(C#N)cc1)[C@@H](C)c1ccc(F)c(F)c1 553836232 JXFMOKQHPPQFEV-AWEZNQCLSA-N 314.379 4.810 30 20 DJED Cc1ccc([C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C2CC2)cc1 554137499 PHHPQTPYKSGJKD-XOBRGWDASA-N 308.400 4.808 30 20 DJED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(Cl)cc1 561139918 HUSWCEHDHFUWDO-BFUOFWGJSA-N 310.828 4.940 30 20 DJED N#CCC[C@H](C#N)CN[C@@H](c1ccc(Cl)cc1)C1CCCC1 573794340 GRSLHVUXPZRYRO-RDTXWAMCSA-N 315.848 4.604 30 20 DJED CCC(C)(C)c1ccc(NC(=O)N2CCC(CC#N)CC2)cc1 578291512 DWLJMGIDTRLDCK-UHFFFAOYSA-N 313.445 4.532 30 20 DJED C[C@H](NCc1cc(C#N)cs1)c1ccc(F)c2ccccc12 578466341 ZNHLCKUZFVBBCB-LBPRGKRZSA-N 310.397 4.763 30 20 DJED C=CCCC(=O)N(CCC)[C@H](C)c1ccccc1Br 588029263 VNDXYRBTGANMLO-CYBMUJFWSA-N 324.262 4.715 30 20 DJED C=C(C)CN(C)C(=O)Nc1ccc(Oc2ccccc2)cc1C 679235193 OQRWVUHABNRPTO-UHFFFAOYSA-N 310.397 4.827 30 20 DJED CC(C)c1ccc2cc(C(=O)Nc3ccc(F)c(C#N)c3)[nH]c2c1 728192026 BZXVBOWJYQWBTH-UHFFFAOYSA-N 321.355 4.554 30 20 DJED O=C1/C(=C\c2ccnc3ccccc23)CSc2ccc(F)cc21 731835621 KYNYLLAHXAOOCT-LCYFTJDESA-N 321.376 4.746 30 20 DJED O=C(O)c1ccc(/C=C/C(=O)c2cccc(Cl)c2Cl)cc1 734981755 SVMZBWIUXQVMEP-RMKNXTFCSA-N 321.159 4.588 30 20 DJED C=CCCSc1nn(-c2ccc(Cl)cc2)c(=S)s1 739433429 XNUCSLYZTPCRBR-UHFFFAOYSA-N 314.888 4.985 30 20 DJED CCCCCCCCCC(=O)N1CCOC[C@@H]1c1ccccc1 742954443 BFDNYANRCACTJY-LJQANCHMSA-N 317.473 4.727 30 20 DJED FC(F)(F)c1ccc(CON=C[C@H]2CCc3ccccc32)cc1 755803173 FJHQKNDKJPXKNC-OAHLLOKOSA-N 319.326 4.938 30 20 DJED C#CC[C@@H](NCc1ncc(-c2ccccc2)s1)c1ccccc1 770739634 DSUARFPKYZTUQP-GOSISDBHSA-N 318.445 4.664 30 20 DJED CC[C@H](C)CCCCC(=O)Nc1ccccc1O[C@@H](C)C#N 784101298 LKKUIVHTPOZHTJ-GJZGRUSLSA-N 302.418 4.522 30 20 DJED C[C@@H](OC(=O)CC(C)(C)C#N)c1ccc(Cl)c(Cl)c1 785096173 ORABBVPYBAVQEP-SECBINFHSA-N 300.185 4.537 30 20 DJED CC(C)Sc1cccc(Cl)c1C=NNc1ccnc(F)c1 786038241 SUICNXONLWNPMM-UHFFFAOYSA-N 323.824 4.821 30 20 DJED CCOc1ccccc1/C=C\C(=O)c1ccc(C#N)cc1Cl 788359748 DJDTYJTYKZDFCN-NTMALXAHSA-N 311.768 4.506 30 20 DJED N#C[C@@H](C(=O)[C@@H](F)CC1CCCCC1)c1ccc2ccccc2n1 796629531 QBTDUWQAYHPMNC-SJORKVTESA-N 324.399 4.720 30 20 DJED Cc1cc(C(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)no1 798230751 PGBVRMGRTYMUEU-SOFGYWHQSA-N 313.740 4.793 30 20 DJED C#C[C@H](NCc1ccc(C(F)F)cc1)c1ccc(Cl)cc1F 809698483 DUHSTPVLTHJQEK-INIZCTEOSA-N 323.745 4.881 30 20 DJED O=C(/C=C/c1cc(F)c(F)c(F)c1)c1nccc2ccccc12 811697718 FIMIFLUAOAEVHM-AATRIKPKSA-N 313.278 4.548 30 20 DJED Fc1cccc(Cl)c1CC(=NOC1CCCC1)c1ccoc1 814893840 DTRMMNRBXHIKRB-UHFFFAOYSA-N 321.779 4.978 30 20 DJED CC(C)N(C(=O)/C=C\c1ccccc1C#N)[C@@H](C)c1ccsc1 817485980 SBTMVSNUOSFWGG-CDNLZTBQSA-N 324.449 4.631 30 20 DJED N#Cc1cc(F)cc(NCc2ccc(SC(F)F)cc2)c1 864032754 HNEDWXFMLXQAGT-UHFFFAOYSA-N 308.328 4.624 30 20 DJED Cc1cc(/C=C\C(=O)c2cccc(O)c2)cc(C)c1OC(F)F 916155670 RPYKCRMAOLVIGD-SREVYHEPSA-N 318.319 4.507 30 20 DJED C[C@@H](SCc1ccccc1C#N)c1nccn1-c1ccccc1 1117540152 QMWODGRJINWQRM-OAHLLOKOSA-N 319.433 4.738 30 20 DJED COc1ccc(C#N)cc1CS[C@H](C)c1ccccc1OC 1165720246 RVPLAKGDZIGQSO-CYBMUJFWSA-N 313.422 4.570 30 20 DJED CCN(Cc1ccc(Cl)cc1C#N)[C@@H](C)Cc1ccsc1 1169606103 ZBBDRCFKERKLPN-ZDUSSCGKSA-N 318.873 4.726 30 20 DJED CCN(Cc1ccc2ccccc2c1)[C@@H](C#N)c1ccccc1 1190520176 RHBJRMMINKSDGJ-NRFANRHFSA-N 300.405 4.927 30 20 DJED Cc1c(C#N)cccc1C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 1264576313 DKLJVBXYFHYQIH-GOSISDBHSA-N 324.399 4.523 30 20 DJED N#Cc1ccc(CN2C[C@@H](c3ccccc3)c3ccccc32)s1 1307730869 ZKZQQNCXMQCAPE-IBGZPJMESA-N 316.429 4.772 30 20 DJED N#Cc1cccc(-c2nnc(-c3cccc(Cl)c3Cl)o2)c1 1322412318 XOYQAGYCFWTALB-UHFFFAOYSA-N 316.147 4.582 30 20 DJED Cc1cc(Oc2nc(C3CCCC3)ns2)c(C)c(C)c1C#N 1458363699 OXLVTIMLIUATGP-UHFFFAOYSA-N 313.426 4.785 30 20 DJED N#Cc1ccc(CN2CCCCC[C@@H]2c2ccco2)c(Cl)c1 1459520518 JYFKNSQCUOFCNY-QGZVFWFLSA-N 314.816 4.922 30 20 DJED CC(C)(C)[C@@H]1CN(CCOc2ccccc2C#N)c2ccccc21 1460029501 MSIBIVOVWBTPRA-GOSISDBHSA-N 320.436 4.587 30 20 DJED CCCOc1ccc(CN(CCC#N)CCC(C)C)cc1C 1461899338 NYKVLUQSZOMCDE-UHFFFAOYSA-N 302.462 4.546 30 20 DJED Cc1ccccc1[C@@H](CC(C)C)NC(=O)Nc1cccc(C#N)c1 1465140131 ZVDBOXQZDDEHPS-LJQANCHMSA-N 321.424 4.776 30 20 DJED CC(C)(C#N)CCCN(c1ccccc1)C1Cc2ccccc2C1 1473258611 LVPUFRWIVGXRLW-UHFFFAOYSA-N 318.464 4.990 30 20 DJED CC(C)(C)C[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C1(C)C 1473542269 OKWYXKZDOQYDFR-INIZCTEOSA-N 302.437 4.734 30 20 DJED Cc1ccc([C@@H]2CCC[C@H]2OC(=O)c2cccc(C#N)c2C)cc1 1518081251 QTIMJZHQPPNNQE-VQTJNVASSA-N 319.404 4.668 30 20 DJED CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1csc(C#N)c1 1519526518 SPFCVYXMNXMPRX-UHFFFAOYSA-N 324.449 4.510 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)C1[C@@H]2CCCCCC[C@@H]12 1528322239 KDCRPTWPOFQOJQ-QZTJIDSGSA-N 318.420 4.866 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 1528322247 KDCRPTWPOFQOJQ-RUYXUALKSA-N 318.420 4.866 30 20 DJED CN(C(=O)CC/C=C/c1ccccc1)c1ccc(C#N)c(Cl)c1 1535034380 JZPWLXKVAMJNTG-WEVVVXLNSA-N 324.811 4.668 30 20 DJED N#Cc1cccc(CSc2nc3cc(F)cc(Cl)c3o2)c1 1559401485 YFGFJJZLDYJXEL-UHFFFAOYSA-N 318.760 4.784 30 20 DJED N#Cc1cccc(CN2CC=C(c3cccc(Cl)c3)CC2)c1 1617654387 QHENJJYJCGKTBH-UHFFFAOYSA-N 308.812 4.501 30 20 DJED C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)CC1CCCC1 1618721008 PUSFVRUGGUZKPL-ZDUSSCGKSA-N 310.363 4.610 30 20 DJED CSCc1cccc(Nc2nc(C)c(C#N)cc2Cl)c1 1651493495 WCABDKFJVXBUFF-UHFFFAOYSA-N 303.818 4.522 30 20 DJED CC[C@H](Nc1nc(C#N)c(Cl)s1)c1ccc(Cl)s1 1655211391 BYDCQGIAURVRGY-LURJTMIESA-N 318.254 4.946 30 20 DJED CCOc1ccc(C#N)cc1N[C@H](C)[C@@H]1C[C@H]1c1cccs1 1659392974 LPEIDTBZKAUNKF-VHDGCEQUSA-N 312.438 4.623 30 20 DJED CC(C)Cc1ccc([C@@H](C)[C@@H](C)NCC(C)(C)CC#N)cc1 1659994946 JUUZYYLXQJKNBD-DLBZAZTESA-N 300.490 4.907 30 20 DJED CCCOc1ccc(CNc2cc(C)cc(C#N)c2)cc1OCC 1662647719 JAKNXFORQZIPIY-UHFFFAOYSA-N 324.424 4.666 30 20 DJED C=C(Cl)COc1ccc(C(=O)/C=C/c2cccc(C#N)c2)cc1 59737668 MZYRQMUIARWSDX-BJMVGYQFSA-N 323.779 4.586 30 20 DJED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc2ccccc2n1 90665124 GGRCZSUZCYJMEX-UZLBHIALSA-N 315.420 4.930 30 20 DJED CC(C)(C)[C@@H](NCc1cc(C#N)cs1)c1ccc(F)cc1 93492572 QQCUNLQWKRKECJ-INIZCTEOSA-N 302.418 4.636 30 20 DJED CC[C@](C)(NCc1cccc(OCCCC#N)c1)c1ccccc1 107718061 BSHNUWFPYSSBHN-NRFANRHFSA-N 322.452 4.784 30 20 DJED Cc1cc(C(F)(F)F)ccc1CN[C@@H](C)c1cccc(C#N)c1 191006090 IPSCQAZLKUPJRK-ZDUSSCGKSA-N 318.342 4.736 30 20 DJED N#CC1(CC[S@](=O)Cc2ccccc2C2CC2)CCCCC1 414233994 CENRYTZCUJVVTC-QFIPXVFZSA-N 315.482 4.677 30 20 DJED Cc1nc(-c2ccc([C@@H](C)Nc3ccc(C#N)nc3)cc2)cs1 433769419 UKPUKEPERAQOQO-GFCCVEGCSA-N 320.421 4.558 30 20 DJED N#C[C@H]1CC[C@@H](Nc2cccc(COCCc3ccccc3)c2)C1 442852193 FXGOAYLGAOIORC-GHTZIAJQSA-N 320.436 4.550 30 20 DJED CCc1c(NC2CCC(C)(C#N)CC2)cnn1C(CC)CC 449281950 FIFXYXZSWMFXEB-UHFFFAOYSA-N 302.466 4.691 30 20 DJED N#Cc1cccc(C#N)c1SC1CCC(C(F)(F)F)CC1 450876001 RNNVHEQMJPCJGO-UHFFFAOYSA-N 310.344 4.643 30 20 DJED CCC[C@@H]1CCCCN1C(=O)Nc1ccc(CC#N)cc1Cl 455724220 BVCZKBOGUCGVIP-CQSZACIVSA-N 319.836 4.593 30 20 DJED C[C@@H](SCc1ccn(C2CCCC2)n1)c1ccc(C#N)cc1 477364064 VVLQTCJNWDOJOX-CQSZACIVSA-N 311.454 4.864 30 20 DJED C=CCCCC(=O)Nc1ccc(OCc2ccccc2)cc1C 479602001 OHTUWJIJHRMYND-UHFFFAOYSA-N 309.409 4.869 30 20 DJED C=CCN(C(=O)CCSc1ccc(F)cc1)c1ccccc1 484252475 HIAFUQLXODTDQT-UHFFFAOYSA-N 315.413 4.527 30 20 DJED CC(C)(C#N)c1ccccc1COc1cc(Cl)ccc1C#N 486901632 BCTDPEJWSUISMB-UHFFFAOYSA-N 310.784 4.592 30 20 DJED CCC[C@H](C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1)C(C)C 487954640 VCWKDTVOWKSQFF-YJBOKZPZSA-N 300.446 4.540 30 20 DJED CCC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(OC)cc1 531951131 AKORUZJWAQFLBJ-YWZLYKJASA-N 308.425 4.759 30 20 DJED CCC[C@H](NCc1ccc(F)cc1C#N)c1ccc(F)cc1F 538226707 WNICLEAXTDWJPY-SFHVURJKSA-N 318.342 4.607 30 20 DJED C[C@H](NCc1c(Cl)cccc1Cl)c1ccc(C#N)c(F)c1 540709079 IUMSTNUMRJMOJH-JTQLQIEISA-N 323.198 4.855 30 20 DJED N#CCc1ccc(CN(Cc2ccc(Cl)cc2)C2CC2)cc1 541281551 BWBYYAVONHZENM-UHFFFAOYSA-N 310.828 4.571 30 20 DJED Cc1ccccc1[C@H](C)CC(=O)Nc1sc(C)c(C)c1C#N 609692804 BATVYDZIESIZPK-GFCCVEGCSA-N 312.438 4.677 30 20 DJED CCCCOc1ccc(OC)cc1N[C@@H](C)c1ccc(C#N)cc1 609825099 GHJZTEHWBZGPEQ-HNNXBMFYSA-N 324.424 4.919 30 20 DJED C[C@H](Nc1ccccc1N1C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 619202889 ONAKARPWLGCTGS-IEZWGBDMSA-N 317.436 4.720 30 20 DJED C=CC[C@@H]1CCCN(C(=O)Nc2c(C)cccc2C(C)C)C1 665163926 SVTKFMGVBKFTRF-MRXNPFEDSA-N 300.446 4.938 30 20 DJED C[C@@H](CC(C)(C)C#N)Nc1cc(Cl)cc(Br)c1 695884560 DAMCOADRVZPWMO-VIFPVBQESA-N 315.642 4.843 30 20 DJED COc1cc(C)c(C(=O)/C=C\c2cc3ccccc3o2)cc1OC 731319940 SLWNBWXLHXGHPR-HJWRWDBZSA-N 322.360 4.655 30 20 DJED CC(=NNc1ccc(Br)cc1)c1sccc1C 733744269 FYEFXTJPDPHDBM-UHFFFAOYSA-N 309.232 4.655 30 20 DJED CC1CCN(c2ccc(CNc3ccc(F)cc3C#N)cc2)CC1 742405970 RXZMSFDSMRIHTE-UHFFFAOYSA-N 323.415 4.546 30 20 DJED CC(=NNc1nc(C(F)(F)F)cs1)c1ccc(Cl)cc1 755904983 RCBBDXPBJRNPLW-UHFFFAOYSA-N 319.739 4.651 30 20 DJED Cc1sc(C(=O)O[C@H](C#N)C(C)C)cc1-c1ccc(F)cc1 756266680 LOZZBZHWFDIKPA-OAHLLOKOSA-N 317.385 4.568 30 20 DJED O=C(/C=C\c1sccc1Br)c1cccc(F)c1 764914517 FURZBFLCDYKWKG-PLNGDYQASA-N 311.175 4.546 30 20 DJED CC#CCCCC(=O)N(Cc1cccs1)c1ccc(C)cc1 767066943 BFFKMSYJIICYGB-UHFFFAOYSA-N 311.450 4.783 30 20 DJED N#Cc1ccc(Oc2ccc(NC(=O)C3(F)CCCC3)cc2)cc1 772452522 GDNQCYHZRURUNS-UHFFFAOYSA-N 324.355 4.571 30 20 DJED N#Cc1cccc(Oc2ccc(NC(=O)C3(F)CCCC3)cc2)c1 772940981 UJYZGXWFCMELNB-UHFFFAOYSA-N 324.355 4.571 30 20 DJED CC(C)(C)[C@H](NCc1ccc(C#N)cn1)c1cc2ccccc2o1 783295097 ZGYUKVKCOKRXAF-LJQANCHMSA-N 319.408 4.576 30 20 DJED CCCCCOc1ccc(/C=C\C(=O)c2cncs2)cc1 787171150 HUDGXCFWYQSTIJ-YFHOEESVSA-N 301.411 4.608 30 20 DJED C[C@@H](CC(=O)O[C@@H](C#N)C1CCCCC1)c1c[nH]c2ccccc12 787225864 ORXDXVJKOMINHT-LIRRHRJNSA-N 324.424 4.677 30 20 DJED Cc1ccsc1C(=O)/C=C\c1cnc(-c2ccco2)s1 789144200 SZXVVDIQNGQYMD-PLNGDYQASA-N 301.392 4.669 30 20 DJED CC(C)Oc1ccc(C(=O)/C=C/c2ccc(F)nc2)cc1Cl 789156610 CPKKJYQWFTWEDK-ZZXKWVIFSA-N 319.763 4.557 30 20 DJED CCCNc1ccc(C#N)cc1NCc1ccc(Cl)cc1C#N 795268265 SPOVYFVOMSYLPY-UHFFFAOYSA-N 324.815 4.517 30 20 DJED C#C[C@H](N[C@@H](C)CCCC(F)(F)F)c1ccc(Cl)cc1 811516516 NZMHRTZROMIRSD-FZMZJTMJSA-N 303.755 4.725 30 20 DJED N#C[C@@H](C(=O)[C@@H]1[C@H]2CCCCCC[C@H]21)c1ccc2ccccc2n1 850741678 MVNOLOKSHJAPGW-YZLZLFLDSA-N 318.420 4.627 30 20 DJED O=C(/C=C\c1ccc(OC(F)F)cc1)c1cccc(Cl)c1 916137621 YJKNIQQRYAXXBV-TWGQIWQCSA-N 308.711 4.838 30 20 DJED CC(=NN[C@H](C)c1ccccc1)c1ccccc1Br 920386420 ZXAVJDJFSXCCIK-GFCCVEGCSA-N 317.230 4.524 30 20 DJED N#CCCCCN[C@@H](Cc1cccc(F)c1Cl)c1ccco1 924943318 UMUKVYFDQIWKLR-HNNXBMFYSA-N 320.795 4.639 30 20 DJED Cc1ccc(CN(C(=O)c2ccc(C)c(C#N)c2)C(C)(C)C)cc1 1131324073 GSPLWFYMWVUAAN-UHFFFAOYSA-N 320.436 4.616 30 20 DJED CCCC[C@@H](C(=O)N(CCC#N)c1ccc(C)cc1)C(C)C 1142835417 KWRMUJQOQVBKPA-GOSISDBHSA-N 300.446 4.704 30 20 DJED CCCc1ccc(-c2ccc(Nc3cc(C#N)cnn3)cc2)cc1 1162575922 HSEZTCZADHVCSP-UHFFFAOYSA-N 314.392 4.711 30 20 DJED Cc1nc2ccccc2nc1S[C@@H](C#N)CCc1ccccc1 1307289554 RCPVJGHPOCHCJO-MRXNPFEDSA-N 319.433 4.555 30 20 DJED CCCC[C@@H](C)[C@H](C)Nc1ccc(NC(=O)OCC)c(C#N)c1 1308681383 PMVLHOKEWCZKTC-KGLIPLIRSA-N 317.433 4.753 30 20 DJED CC/C(=C/c1nnc(-c2cccc(C#N)c2)o1)c1ccc(C)cc1 1322343175 OSLFBFMWRWLDNV-VBKFSLOCSA-N 315.376 4.867 30 20 DJED N#CC1(c2ccc(-c3ccsc3Cl)cc2)CCOCC1 1326692308 GWFJQYIMRBHIAK-UHFFFAOYSA-N 303.814 4.640 30 20 DJED N#Cc1ccc(F)c(CN[C@H]2CCCc3c(Cl)cccc32)c1 1334779137 JFBIFVOLHJYTHL-SFHVURJKSA-N 314.791 4.518 30 20 DJED CC[C@H]1CCC[C@H]1C(=O)Nc1cc(C(C)(C)C)sc1C#N 1435745550 DBHWXJBYQGPCCT-NWDGAFQWSA-N 304.459 4.682 30 20 DJED Cc1cc(NC(c2cccs2)c2cccs2)ncc1C#N 1458196025 FFUYUBADLVJYQR-UHFFFAOYSA-N 311.435 4.586 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C/C=C/c1ccc(F)cc1F 1462366146 WLPGVFSRQCXUMZ-BTKRWWFXSA-N 312.363 4.543 30 20 DJED C[C@@H]1CC(C(=O)Nc2cc(C(C)(C)C)sc2C#N)C[C@@H](C)C1 1521111057 RIXFTHSRRQBHHQ-RYUDHWBXSA-N 318.486 4.928 30 20 DJED CCOc1cccc(Cl)c1COc1cc(Cl)ccc1C#N 1559387746 HYFORKILLZQGPN-UHFFFAOYSA-N 322.191 4.843 30 20 DJED Cc1cc(C#N)cc(NC(=O)CCc2cccc3ccccc23)c1 1583754755 AKNXAGGCNIUCFR-UHFFFAOYSA-N 314.388 4.591 30 20 DJED COc1ccc([C@@H](C)CSc2cccc(F)c2C#N)cc1 1613821005 AQOGRIGCCJBGOB-LBPRGKRZSA-N 301.386 4.602 30 20 DJED CCC1(CC)CN(Cc2ccc(OCC#N)cc2)c2ccccc21 1616484048 WEFXRSFOYLWJIR-UHFFFAOYSA-N 320.436 4.667 30 20 DJED Cc1ccc(C#N)cc1NCc1cccc(C)c1Br 1620962836 VKQQGUQJHHEESF-UHFFFAOYSA-N 315.214 4.550 30 20 DJED CC(C)c1ccc2c(c1)CCCN2Cc1cccc(C#N)c1F 1644823259 OAJXBQGYOJGZEL-UHFFFAOYSA-N 308.400 4.774 30 20 DJED CC(C)c1ccc2ncnc(N[C@H](C)c3ccc(C#N)cc3)c2c1 1655033539 OGCVYOMSJAFRKA-CQSZACIVSA-N 316.408 4.798 30 20 DJED CCCC[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)C1CCC1 1659883955 SSMZYCCALMGZRH-OAHLLOKOSA-N 319.836 4.692 30 20 DJED C[C@@H](CC(C)(C)c1ccccc1)N[C@@H](C)c1cccc(C#N)c1 1660694937 FMLFMAZVWBSOID-IRXDYDNUSA-N 306.453 4.965 30 20 DJED C[C@H]1CCC[C@H]([C@H](C)NC(=O)Nc2ccc(C#N)cc2Cl)C1 1667925826 BQYUOFMRCUFJJH-OBJOEFQTSA-N 319.836 4.548 30 20 DJED O=C(O)c1ccc(NN=C2CCC[C@H](C3CCCCC3)C2)cc1 1776014414 PURZRBCYHKJNBV-INIZCTEOSA-N 314.429 4.923 30 20 DJED Cc1c(NN=C2CC[C@H](CCC(C)C)C2)cccc1C(=O)O 1776088234 ZFDFQVJLQCJBSL-AWEZNQCLSA-N 302.418 4.697 30 20 DJED CC(C)c1ccc(C(=O)/C=C\c2ccc(F)c(C(=O)O)c2)cc1 1776370526 WUBOUPJWYQFFEA-WMZJFQQLSA-N 312.340 4.543 30 20 DJED N#Cc1c(F)cccc1Sc1ccc(Br)cc1 38881796 AOZWVSUYCBPUEP-UHFFFAOYSA-N 308.175 4.611 30 20 DJED N#Cc1cccc(CN(CCc2ccccc2)C2CCCC2)c1 63754823 POMRFZBOGRHBGB-UHFFFAOYSA-N 304.437 4.546 30 20 DJED C=CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1Cl)c1ccccc1 71846383 ZVUPOUOHQPPCEQ-SJORKVTESA-N 311.812 4.663 30 20 DJED COc1cccc(/C=C\C(=O)c2ccc(C(C)C)cc2)c1OC 97992837 MIHMOWSJNJWAMZ-SEYXRHQNSA-N 310.393 4.723 30 20 DJED N#Cc1ccsc1NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 108674278 JYZHLZWZGDOBFG-SJORKVTESA-N 318.401 4.515 30 20 DJED Cc1c(C(=O)N(C)c2cc(Cl)ccc2C#N)oc2ccccc12 156952201 VNJSXARILFFFIY-UHFFFAOYSA-N 324.767 4.543 30 20 DJED C=C(Br)CN[C@@H](C)c1ccc(-c2ccccc2)cc1 161380499 ZGKDXCHYIDFPHY-AWEZNQCLSA-N 316.242 4.913 30 20 DJED CC[C@H](NCc1ccc(C#N)cc1F)c1cccc(Cl)c1 173395585 VTQIRRQJHRAFIH-KRWDZBQOSA-N 302.780 4.592 30 20 DJED C=CCC[C@@H](C(=O)N(C)c1nc2ccccc2o1)c1ccccc1 186391125 OPKJLSGWECFTSI-MRXNPFEDSA-N 320.392 4.541 30 20 DJED CC(=O)c1c(C)cc(C)c(CN[C@H](C)c2ccc(C#N)cc2)c1C 271620468 CQCAMQRSVBLWQF-MRXNPFEDSA-N 320.436 4.537 30 20 DJED CC(C)=CCCNC(=O)Nc1ccccc1S[C@@H](C)CC#N 277037193 SREQVZVIHOLJQP-AWEZNQCLSA-N 317.458 4.559 30 20 DJED C=CCCSc1nnc(Cc2ccccc2)n1-c1ccccc1 303751783 BYHZPDKWARPWQX-UHFFFAOYSA-N 321.449 4.526 30 20 DJED Cc1ccc([C@@H]2CCCCCN2Cc2cc(C#N)ccc2F)o1 303795848 VTXPOTOJWWDNBM-SFHVURJKSA-N 312.388 4.716 30 20 DJED N#CCCCOc1cccc(NCc2ccnc3ccccc23)c1 324684708 SBBVWSHDJQYTHS-UHFFFAOYSA-N 317.392 4.529 30 20 DJED C[C@@H]1CC[C@@H](/N=C(/O)Cc2ccc3n[nH]cc3c2)c2ccccc21 330021138 XIGGQLPWUGWJFF-BFUOFWGJSA-N 319.408 4.701 30 20 DJED C=CC[C@H](CC)NC(=O)c1cc(SC)c(Cl)cc1Cl 410120729 MGCJXXDOZYBJMV-VIFPVBQESA-N 318.269 4.800 30 20 DJED CCN(C(=O)c1cccc(SCC#N)c1)c1cccc(C)c1C 429959808 WISMRHXDXUVOHB-UHFFFAOYSA-N 324.449 4.586 30 20 DJED Cc1ccccc1[C@H](CC(F)(F)F)N[C@H]1CCC[C@H](C#N)C1 446849716 PWTGCOZYCSZQQD-DZKIICNBSA-N 310.363 4.661 30 20 DJED CCCC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(OC)cc1 463280638 FEXQGEMZOZUAEP-IEZWGBDMSA-N 300.446 4.598 30 20 DJED CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H]1CCCC[C@@H]1C 475607240 YDPVZBMMJVSKGS-MAUKXSAKSA-N 312.457 4.529 30 20 DJED C=CCCC1(C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)CC1 476217592 LOMRRRFHGOBMDJ-INIZCTEOSA-N 320.436 4.672 30 20 DJED C=CCC[C@@H](C(=O)N(C)Cc1ccccc1F)c1ccccc1 487610533 SKZLMMJHWUGESR-GOSISDBHSA-N 311.400 4.534 30 20 DJED CCC(F)(F)C(C)(C)CNc1cccc(OCCCC#N)c1 527641371 AGNOCIWZBNFUCT-UHFFFAOYSA-N 310.388 4.853 30 20 DJED N#C[C@@H](N[C@H]1CCCC[C@H]1C(F)(F)F)c1ccc(Cl)cc1 595567113 JGFLOMUFZGYKSB-HZSPNIEDSA-N 316.754 4.615 30 20 DJED C=CCCCCCN(C)C(=O)c1sc(C(C)(C)C)nc1C 606815602 PZSIVZIJJXUYPJ-UHFFFAOYSA-N 308.491 4.567 30 20 DJED Cc1cccc2c(N3CCC[C@@H]3c3ccsc3)c(C#N)cnc12 610514922 DXSUBDCQUVYFNH-QGZVFWFLSA-N 319.433 4.818 30 20 DJED C=CCC1(C(=O)N2CC(C)(C)[C@H]2c2cccnc2)CCCCC1 648910187 GAOHJAPIGXWRCT-QGZVFWFLSA-N 312.457 4.518 30 20 DJED CC(=NNc1ccc2ccccc2n1)c1ccc(F)cc1Cl 730542726 ZQSJLLWEKBXKTA-UHFFFAOYSA-N 313.763 4.863 30 20 DJED C=C1CCN(C(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)CC1 731197680 ZMTVUBKZTIBWTP-KRWDZBQOSA-N 322.452 4.506 30 20 DJED CCCCCCCCC(=O)N1CCC[C@H]1c1ccc(O)cc1 744335542 ZRDFXIUYQOPSHN-SFHVURJKSA-N 303.446 4.806 30 20 DJED Cc1ccsc1CCCC(=O)O[C@H](C)c1cccc(C#N)c1 748842394 PFICUZWUCZBKKS-CQSZACIVSA-N 313.422 4.555 30 20 DJED CSc1ccc(C=NOc2ccccc2C(F)(F)F)cc1 754713079 YVRDFTJDLMWBBH-UHFFFAOYSA-N 311.328 4.840 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccc(F)c(C(F)(F)F)c2)cc1 755569745 LQFSHWRWYANLJJ-YWEYNIOJSA-N 319.257 4.612 30 20 DJED COCc1cccc(/C=C2/C(=O)c3cccc4c3[C@@H]2CCC4)c1 763289753 MVFRNCRMOMZDEU-MIQLPHMESA-N 304.389 4.533 30 20 DJED Cc1nc2ccccc2c(C)c1C(=O)OCCCCC(C)(C)C#N 768415390 WPRBAIPPEBQMLJ-UHFFFAOYSA-N 324.424 4.729 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc(Cl)cc1OC)c1ccccc1 777795518 YIQFIHZWAHUIEH-OAHLLOKOSA-N 315.800 4.647 30 20 DJED O=C(/C=C\c1cc(Cl)cs1)c1c(Cl)nc2ccccn12 782342960 SZKXSWDXZURYIF-PLNGDYQASA-N 323.204 4.599 30 20 DJED Clc1cnc(NN=C2CCC[C@H]2c2ccccn2)c(Cl)c1 794873586 RTCPMRZUPVCLPV-NSHDSACASA-N 321.211 4.519 30 20 DJED C=CCC(C)(C)C(=O)OCc1ccccc1Oc1cccnc1 796462716 DVINDNIUJVYRBD-UHFFFAOYSA-N 311.381 4.519 30 20 DJED C#CCCCCNC(=O)N(CC(C)C)[C@H](C)c1ccccc1C 806957978 CIPSUGKATJMDRU-GOSISDBHSA-N 314.473 4.527 30 20 DJED O=C1/C(=C/c2ccc(C3CCCC3)cc2)CCc2nc(O)ccc21 812243418 LSGWOTGJIXEYDF-GHRIWEEISA-N 319.404 4.657 30 20 DJED CC(C)(C#N)[C@@H]1CCCC1=NNc1nc(-c2ccccc2)cs1 814769629 SPHBCNHBXBOFRA-CQSZACIVSA-N 324.453 4.928 30 20 DJED Fc1ccc(CC(=NOC2CCCC2)c2ccoc2)c(Cl)c1 814893977 GSIZJTAASUWYPU-UHFFFAOYSA-N 321.779 4.978 30 20 DJED CC(C)(C)C(=O)/C=C/c1ccc(-c2cccc(C(=O)O)c2)s1 844204155 FZPUPXLMTKLTAU-CSKARUKUSA-N 314.406 4.742 30 20 DJED CCCCCCCCC(=O)Nc1ccc(N=S(C)(C)=O)cc1 848126587 GRHMRGPWMPGRDC-UHFFFAOYSA-N 324.490 4.735 30 20 DJED CC[C@@H](C)c1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)cc1 858377260 XACPVAWLDUAOSG-IAGOWNOFSA-N 322.452 4.953 30 20 DJED CCCCCCC[C@@H](NCc1cccnc1O)c1ccccc1 858562463 JGCPKRZZFBFQKR-LJQANCHMSA-N 312.457 4.979 30 20 DJED CCCCCCCCCC(=O)N(C)Cc1ccc(C#N)cc1 914452269 LPHFWVVCNUHMRQ-UHFFFAOYSA-N 300.446 4.657 30 20 DJED COc1ccc(C(C)=NNc2ccc(C#N)cc2)c2ccccc12 915963130 ZMIXFENXNAVIGO-UHFFFAOYSA-N 315.376 4.556 30 20 DJED Cc1ccccc1[C@H](C)OC(=O)c1ccccc1SCC#N 920164213 PYMOLBKPHRQPIV-AWEZNQCLSA-N 311.406 4.529 30 20 DJED N#Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)ccc1F 1125787148 LRYJOLJXFFQERL-QZTJIDSGSA-N 322.383 4.610 30 20 DJED CN(CCc1ccc(Cl)cc1)Cc1ccc(Cl)cc1C#N 1192846130 GFSAQAIRFCZONO-UHFFFAOYSA-N 319.235 4.540 30 20 DJED C[C@H](CCC(C)(C)C)C(=O)Nc1cc(C#N)c2ccccc2n1 1271873375 ZFTOCCPWTURUMY-CYBMUJFWSA-N 309.413 4.507 30 20 DJED CCCC[C@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)C(C)C 1436968698 MZWOLRPRCXXESG-QAPCUYQASA-N 300.446 4.540 30 20 DJED N#Cc1c(Cl)nsc1Oc1cc(Cl)cc(Cl)c1 1472637651 JAWYLQBVVIWJQH-UHFFFAOYSA-N 305.573 4.767 30 20 DJED CCC[C@@H]1CCC[C@@H]1C(=O)N(c1ccccc1C#N)C1CCC1 1528687263 WLIFIPQLDHIZGB-QAPCUYQASA-N 310.441 4.660 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)Nc1scc(C)c1C#N 1544278194 YKVWSNNCTCNOTR-AWEZNQCLSA-N 304.459 4.863 30 20 DJED N#C[C@H](Sc1nc2ccccc2n1-c1ccc(F)cc1)C1CC1 1559365751 VVKAYDAUYXTXPT-KRWDZBQOSA-N 323.396 4.559 30 20 DJED C=C(CNC(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C)c1ccccc1 1564882341 RBAQSZMYHDUKNV-AEFFLSMTSA-N 314.473 4.556 30 20 DJED Cc1nc(NC[C@@H](c2ccccc2)C(C)C)c(Cl)cc1C#N 1611779488 KGPXLJXYKSZFLB-MRXNPFEDSA-N 313.832 4.767 30 20 DJED CC(C)[C@H]1CCCN(c2c(Br)cccc2C#N)CC1 1611994477 ZVHPOOFSEBIABY-ZDUSSCGKSA-N 321.262 4.583 30 20 DJED Cc1cccc(-c2ccc(CNc3cc(C)c(C#N)cn3)cc2)c1 1612010436 HIJNGYWLKWCENZ-UHFFFAOYSA-N 313.404 4.849 30 20 DJED Cc1nc(NC[C@H](c2ccc(Cl)cc2)C(C)C)ccc1C#N 1612357719 ONPQWKICWZLPIM-KRWDZBQOSA-N 313.832 4.767 30 20 DJED Cc1cc(S[C@@H](C(=O)c2ccccc2)C(C)C)ccc1C#N 1641222775 KSAGNXVUODPKMR-LJQANCHMSA-N 309.434 4.866 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 1652648119 RNZPFHQFPWQQMF-LFVTVUPYSA-N 302.849 4.648 30 20 DJED N#CC1(c2ccccc2)CC(N[C@H](C2CCCCC2)C2CCC2)C1 1652719312 OIELMWOOWDARMY-ATKRNPRHSA-N 322.496 4.949 30 20 DJED COc1ccc([C@H](C)Sc2snc(Cl)c2C#N)cc1 1655036540 YLMHGBZEDCNZOY-QMMMGPOBSA-N 310.831 4.530 30 20 DJED C=C(CNC(=O)N(CCC)CC1CCCCC1)c1ccccc1 1681774937 TUASEKGRYXMOND-UHFFFAOYSA-N 314.473 4.702 30 20 DJED O=C(O)c1cccc(NN=C2CCC[C@@H](c3ccccc3)CC2)c1 1776037667 UFYYKZKBJLSVJD-MRXNPFEDSA-N 322.408 4.901 30 20 DJED CC(CC1(C(=O)O)CCC1)=NNc1ccc(-c2ccccc2)cc1 1776060035 ZBBNFCMAOWHHOZ-UHFFFAOYSA-N 322.408 4.786 30 20 DJED CCCCc1ccc(C(=O)/C=C/c2cccc(CC(=O)O)c2)cc1 1776805910 AELSJHAZVNCAIF-JLHYYAGUSA-N 322.404 4.552 30 20 DJED C=C(C)CNC(=S)Nc1ccc(Oc2ccc(C)cc2)cc1 7561507 WEMARRNSINIHCQ-UHFFFAOYSA-N 312.438 4.650 30 20 DJED CCCOc1ccc(Cl)cc1NCc1ccc(C#N)cc1 37777857 AZQQASDQBHTWBH-UHFFFAOYSA-N 300.789 4.613 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1ccc(C)c(C)c1 43144776 NPDJNPAOTZDKJG-UHFFFAOYSA-N 300.427 4.585 30 20 DJED CCc1cc(C#N)c(NC(=O)Cc2cccc3ccccc23)s1 59829153 QSRGXOIMMMOTDY-UHFFFAOYSA-N 320.417 4.517 30 20 DJED CCCCCCCCC[S@@](=O)Cc1noc2c1CCCC2 190794892 PLYWXHDIMNWTEK-OAQYLSRUSA-N 311.491 4.553 30 20 DJED N#Cc1ccccc1/C=C\C(=O)c1cccc(-c2ccncc2)c1 255657524 WBXMEPKOYSSFEF-HJWRWDBZSA-N 310.356 4.516 30 20 DJED CC(C)(CCC#N)CNc1cc(Cl)cc(Br)c1 308319738 KYQSFJJPACGPMY-UHFFFAOYSA-N 315.642 4.844 30 20 DJED C[C@@H](Nc1cccc(OC(F)(F)F)c1)c1ccc(C#N)cc1 314202725 QHLSTHRNEXSLDU-LLVKDONJSA-N 306.287 4.630 30 20 DJED Cc1c([C@H](C)Nc2ccc(OCC#N)cc2)oc2ccccc12 319818306 JRPIXWJEEKEYJV-AWEZNQCLSA-N 306.365 4.817 30 20 DJED COc1ccc(-c2ccc(C)c(N=C(O)[C@@H]3[C@H]4CCC[C@H]43)c2)cn1 328673572 JDCNQSFLHBYWPV-MNZLEMJZSA-N 322.408 4.700 30 20 DJED O/C(=N/C1CCC2(CCCCC2)CC1)c1conc1C1CC1 329567711 LJKGFDDHDHQDKE-UHFFFAOYSA-N 302.418 4.750 30 20 DJED CC(C)c1ncsc1C(O)=Nc1cc(C(C)(C)C)ccc1O 331303204 CSKRHABHGUFNLD-UHFFFAOYSA-N 318.442 4.906 30 20 DJED CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2cc(OC)ccc2c1 424333897 URGSKWCDSOUGKB-BOUXLOLZSA-N 308.425 4.581 30 20 DJED Cc1nc(-c2cc([C@@H](C)N[C@@H]3CC[C@H](C#N)C3)cs2)cs1 424333910 UUHMNLNCLUSAHT-SCDSUCTJSA-N 317.483 4.523 30 20 DJED Cc1c(C#N)cccc1NC(=O)N[C@@H](c1ccccc1)C1CCC1 432302359 MAUIJWIKJCJJMI-IBGZPJMESA-N 319.408 4.530 30 20 DJED Cc1coc(-c2ccc(C)c(NCC#Cc3ccc(F)cc3)c2)n1 433475438 RLHOSUZHSUTORC-UHFFFAOYSA-N 320.367 4.561 30 20 DJED CC[C@H](C#N)Sc1nc(-c2cccs2)nc2ccccc12 436052352 PBPLQASHRKRMPC-LLVKDONJSA-N 311.435 4.753 30 20 DJED CCCCCN(C(=O)NCC1CCC(C#N)CC1)[C@@H](C)CCC 442725830 BBJPFDILNFMDRW-AOCRQIFASA-N 321.509 4.707 30 20 DJED N#Cc1cccc(CN[C@@H](c2ccc(F)c(Cl)c2)C2CC2)c1 449449542 LXPNJCZBJXMGDU-GOSISDBHSA-N 314.791 4.592 30 20 DJED C=CC[C@@H](CC)NC(=O)N1CCC[C@@H]1c1cccc(C)c1C 466376649 LOQILUIIAYTOFC-SJLPKXTDSA-N 300.446 4.505 30 20 DJED C=CCCN(C)[C@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 467298317 MZQMYZNTMPLZRQ-CYBMUJFWSA-N 304.821 4.872 30 20 DJED Cc1ccc(C)c([C@@H]2CCCN2c2ncc(C#N)cc2Cl)c1 474777072 VRBSZKWAWSIVLU-KRWDZBQOSA-N 311.816 4.565 30 20 DJED CCc1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)s1 481923001 ZFJRNPJPNFENIN-LJQANCHMSA-N 310.466 4.739 30 20 DJED C=CCC[C@H](CC)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1 494482339 KRCHZXAAUWORHX-INIZCTEOSA-N 302.462 4.632 30 20 DJED C=CCC[C@H](NCc1cccc(Br)c1)c1ccco1 513701846 APKCCIBEDZVGSG-HNNXBMFYSA-N 320.230 4.839 30 20 DJED C[C@H](CC#N)N(C)Cc1ccc(-c2ccccc2Cl)s1 513732578 HMHCMZZGDHMTMZ-GFCCVEGCSA-N 304.846 4.802 30 20 DJED N#CC1(CCCSCc2ccccc2C2CC2)CCOCC1 539708790 NPZZXRJAHCRECQ-UHFFFAOYSA-N 315.482 4.898 30 20 DJED C[C@H](Nc1cc(C#N)ccn1)c1cc(F)c(Cl)cc1Cl 557477995 YAAMQTXBMVDTHO-QMMMGPOBSA-N 310.159 4.572 30 20 DJED C=CCC[C@@H](CC)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 570553378 LJMDYPMHMQESEF-IUODEOHRSA-N 319.836 4.785 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@@H]2NCc1ccc(C#N)c(Cl)c1 619754996 QFBTZQCTNQSWRY-UGSOOPFHSA-N 310.828 4.858 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(COC(C)(C)C)cc1 683789355 QCQOTAZBLAAQLO-QGZVFWFLSA-N 316.445 4.574 30 20 DJED C=CCNC(=S)N(Cc1cccc2ccccc12)C1CCCC1 727978902 FIGZKQUBMOOBQA-UHFFFAOYSA-N 324.493 4.645 30 20 DJED CC(CCc1ccco1)=NNc1ccc(Br)cc1C 728433066 PZYHEJHZYYFDGW-UHFFFAOYSA-N 321.218 4.771 30 20 DJED CC(=NNc1cccc(C#N)c1)c1cccc(Cl)c1Cl 734978505 KKOIATVJPZNFBQ-UHFFFAOYSA-N 304.180 4.701 30 20 DJED CCCCCC[C@@H](C)C(=O)Nc1cc(C#N)ccc1OC(C)C 741909832 LTPGHPCUIPFHHH-OAHLLOKOSA-N 316.445 4.890 30 20 DJED c1cncc(CON=C2CCCc3c2sc2ccccc32)c1 746587260 LJMMAZOFFGWRQJ-UHFFFAOYSA-N 308.406 4.554 30 20 DJED C#CC[C@H](NCc1ccc(-c2ccc(F)cc2)o1)c1ccccc1 756994991 AXUUDDQHQGTWNW-FQEVSTJZSA-N 319.379 4.940 30 20 DJED CCC1(CN[C@@H](C)c2ccc(OCC#N)cc2)CCCCC1 762790959 RXPNEXIVXSFMKQ-INIZCTEOSA-N 300.446 4.600 30 20 DJED C[C@@H](CC(=O)OCCCCC(C)(C)C#N)c1ccccc1F 768673566 SUBKSBZKLIGTTD-AWEZNQCLSA-N 305.393 4.583 30 20 DJED CC(=NNc1cccc2cnccc12)c1csc(C(C)C)n1 768778125 XAFDICMNEGGWOJ-UHFFFAOYSA-N 310.426 4.651 30 20 DJED CCOc1c(Cl)cc(/C=C\C(=O)c2occc2C)cc1OC 769783235 ASJFOWWLXUSEMQ-WAYWQWQTSA-N 320.772 4.545 30 20 DJED CC[C@H](Nc1ccc(N2CCCC2)c(F)c1)c1ccc(C#N)cc1 774282145 NHKJTENEJQVXIW-IBGZPJMESA-N 323.415 4.861 30 20 DJED CC(C)(C)c1cnc(/C=C2\CSc3ccccc3C2=O)s1 790602679 VRSLIUACBKAJQE-DHZHZOJOSA-N 315.463 4.813 30 20 DJED CC(C)(C)c1cnc(/C=C/C(=O)c2ccc(O)c(Cl)c2)s1 790609527 LWRMXATZJUGKIJ-VOTSOKGWSA-N 321.829 4.696 30 20 DJED COc1ccc(C(=O)/C=C/C=C\c2ccc(F)c(F)c2)c(F)c1 794691386 PSJZPCZGWWYPNQ-VOERYJCWSA-N 318.294 4.565 30 20 DJED C#C[C@H](C)NC(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 806337906 JNPCDYJEZSKGSF-LSDHHAIUSA-N 324.449 4.683 30 20 DJED CC(C)(C)c1ccc(C=NOCc2ccc(C#N)cc2F)cc1 809800711 UOYFBDBAUIXDEE-UHFFFAOYSA-N 310.372 4.546 30 20 DJED C=CC[C@@H](NC(=O)c1ccc(C2=CCCC2)cc1)c1ccncc1 810408907 WPWYLSZDAALMGL-HXUWFJFHSA-N 318.420 4.696 30 20 DJED CC1(C)CCC[C@@H]1NN=C1CCC(c2ccc(O)cc2)CC1 814917188 IMOWQOIISRKUCV-IBYPIGCZSA-N 300.446 4.574 30 20 DJED N#C[C@@H](C(=O)/C(F)=C/C1CCCCC1)c1ccc2ccccc2n1 815900234 VNULGQGIYJSSPQ-WISAJEAXSA-N 322.383 4.845 30 20 DJED CSc1ccc(C(C)=NN[C@@H](C)c2ccncc2)c(Cl)c1 819817222 YNYWMUOZNBSXFL-NSHDSACASA-N 319.861 4.532 30 20 DJED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCCO2 850447401 JPUVKHNJVNCNBE-UZLBHIALSA-N 320.436 4.707 30 20 DJED C=C1CCC(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)CC1 887765969 MVHCEUXCEFNGPD-CYBMUJFWSA-N 314.454 4.562 30 20 DJED Clc1cccnc1NN=Cc1ccccc1OC1CCCC1 920374940 NJWJAWBAUXMUEQ-UHFFFAOYSA-N 315.804 4.502 30 20 DJED Cc1cc(C(=O)/C=C/c2cn3cc(Cl)ccc3n2)c(C)s1 920754344 DABPPHWRSPFMQZ-SNAWJCMRSA-N 316.813 4.562 30 20 DJED CC#CCCCc1nnc([C@H](C)Oc2ccc3ccccc3c2)o1 1118367797 VWGLBUDYIXAXBP-HNNXBMFYSA-N 320.392 4.709 30 20 DJED CC(C)c1ccc([C@H](C)CC(=O)Nc2cccc(C#N)c2)cc1 1124269048 XTQNAJQEQLSKGT-OAHLLOKOSA-N 306.409 4.814 30 20 DJED CC(C)(C)C1CCC(OC(=O)[C@@]2(C#N)CC23CCCC3)CC1 1124598073 SONRPVGWVQGUOQ-ZOJXTTQQSA-N 303.446 4.609 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1cc(-c2ccccc2)oc1C 1126697905 JRYRXVLAAPDZAB-UHFFFAOYSA-N 316.360 4.687 30 20 DJED CC(C)(C)[C@H]1CN(c2ccc(Cl)c(C#N)n2)c2ccccc21 1163185484 RITYNFVBVPWUAV-ZDUSSCGKSA-N 311.816 4.888 30 20 DJED N#Cc1ccc(CNC[C@@H]2CCCC[C@H]2c2ccccc2)c(F)c1 1202417279 JTTJAAWTMPBVRJ-ICSRJNTNSA-N 322.427 4.761 30 20 DJED CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1scc(C(C)(C)C)c1C#N 1274507108 CYLQHMFTJOFBDL-YVEFUNNKSA-N 304.459 4.538 30 20 DJED CC(C)(C)[C@H]1CN(Cc2ccc(OCC#N)cc2)c2ccccc21 1307730040 SKUYUXZUWJHAFA-IBGZPJMESA-N 320.436 4.739 30 20 DJED C[C@H]1C[C@H](c2ccccc2)C[C@H](NCc2cccc(F)c2C#N)C1 1308816374 QYWIZTHSSMPRDH-ZYSHUDEJSA-N 322.427 4.759 30 20 DJED N#CCc1cccc(N[C@H](Cc2ccccc2)c2ccccc2)n1 1320359355 WUZUEEOAQOAUHR-HXUWFJFHSA-N 313.404 4.544 30 20 DJED CCC[C@@H]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1OC(C)C 1351539712 DYHBFDNWZCIAQA-HZPDHXFCSA-N 314.429 4.500 30 20 DJED CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)N(C1CC1)[C@@H](C)C#N 1437467638 RBGKOSDHKOGWBO-VWZCOVNWSA-N 316.489 4.522 30 20 DJED CC[C@@H](Cc1ccc(C)cc1)N(CC)CCCC(C)(C)C#N 1459553502 XMDFXDQAQAXCJT-IBGZPJMESA-N 300.490 4.968 30 20 DJED CCC(C)(C)c1ccc(C(=O)N(CCC#N)CCC(C)C)cc1 1464922276 XWDRSQUCRCZNEJ-UHFFFAOYSA-N 314.473 4.776 30 20 DJED CCSc1cccc(NC(=O)Nc2scc(C)c2C#N)c1 1466472627 PQEULVZUGWVIES-UHFFFAOYSA-N 317.439 4.684 30 20 DJED CCCC[C@H](C)N(C)C(=O)Nc1scc(C(C)(C)C)c1C#N 1466647895 AVFIPJSMYIDTHK-LBPRGKRZSA-N 321.490 4.960 30 20 DJED C[C@H]1CCCC[C@H]1CSc1nc2c(cc1C#N)CCCC2 1472972273 ZLCAXXQCDKZXEM-ZFWWWQNUSA-N 300.471 4.750 30 20 DJED CCCN(CCc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 1473106600 SHAUHPCDFLIWFG-UHFFFAOYSA-N 312.844 4.666 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)Nc1cc(C#N)c(F)cc1F 1535868470 SQSSFSXDYNYXDJ-CYBMUJFWSA-N 320.383 4.772 30 20 DJED Cc1cccc([C@H]2CCCN2Cc2ccc(CC#N)cc2)c1C 1559556185 UZUFYVZDMYKFAZ-OAQYLSRUSA-N 304.437 4.707 30 20 DJED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCC[C@H]1CCC(C)C 1562483524 ATGGQMYCFILKMS-MAUKXSAKSA-N 313.445 4.593 30 20 DJED N#CC1(CCN2CCSC3(CCCCC3)C2)CCCCC1 1615826975 ZEJRYDMXAGRJGG-UHFFFAOYSA-N 306.519 4.602 30 20 DJED CC(C)(C)[C@H](Nc1ncc(C#N)cc1Cl)c1ccc(F)cc1 1639646974 WXIVVSLCODZPQH-OAHLLOKOSA-N 317.795 4.945 30 20 DJED N#Cc1ccc(CCN2CC3(CCCC3)c3cccc(F)c32)cc1 1645269107 LMLNREMMXXDHQC-UHFFFAOYSA-N 320.411 4.572 30 20 DJED CCc1ccc2c(c1)CCN(Cc1ccccc1C(C)(C)C#N)C2 1655921698 HAMRSMSAEAAHDD-UHFFFAOYSA-N 318.464 4.608 30 20 DJED CCC[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1661010602 IJDRERJDLKHWGF-CQSZACIVSA-N 323.396 4.661 30 20 DJED CC(C)(C)C[C@H]1CCN(C(=O)Nc2cccc(C#N)c2)C1(C)C 1673021743 DLPNNBCOIVISIN-OAHLLOKOSA-N 313.445 4.627 30 20 DJED CCCc1ccc(C(=O)/C=C/c2ccc(C)c(C(=O)O)c2)cc1 1776112932 QKHONLVJDCWMEI-FMIVXFBMSA-N 308.377 4.542 30 20 DJED CC(C)c1ccc(C(=O)/C=C/c2ccc(C(=O)O)c(F)c2)cc1 1776370534 ZORBWLFZTQYXSJ-ONNFQVAWSA-N 312.340 4.543 30 20 DJED N#Cc1ccsc1C(=O)Nc1ccccc1-c1cccs1 52029783 YIKCBVHUAICENO-UHFFFAOYSA-N 310.403 4.601 30 20 DJED C[C@H](Nc1ccc(C#N)cc1F)c1cccc(C(F)(F)F)c1 72072990 DUDIQNASQVBXCY-JTQLQIEISA-N 308.278 4.889 30 20 DJED Cc1cccc(CN(Cc2ccccn2)CC(C)(C)CCC#N)c1 93086704 WJZYPMXXHKOQNV-UHFFFAOYSA-N 321.468 4.722 30 20 DJED N#CCCCSCc1cc(Br)cc2cccnc12 190975034 SZLHGMXWTUMBNS-UHFFFAOYSA-N 321.243 4.534 30 20 DJED O=C(/C=C\c1ccc(OCc2ccncc2)cc1)c1ccccc1 206943113 CDRJSBYRIQJJRD-FLIBITNWSA-N 315.372 4.557 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@H](C)O[C@H](C)C1 248911836 RJIJFLIKMKSGFA-SCAQPMJSSA-N 315.457 4.681 30 20 DJED Cc1c([C@H](C)Nc2ccc(Cl)c(C#N)n2)oc2ccccc12 301169201 IZEUACALLMIVLQ-NSHDSACASA-N 311.772 4.834 30 20 DJED CCC[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 404600157 HQTWMVVVWMUJRZ-SFHVURJKSA-N 316.807 4.982 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)[C@]1(C)CCC[C@H]1C 410457025 IRFMAQCIOYNFBM-HBUWYVDXSA-N 316.470 4.703 30 20 DJED C=CCOc1ccc(CN[C@@H](c2ccccc2)C(F)(F)F)cc1 462817457 GWWMAUMYZSQYPH-KRWDZBQOSA-N 321.342 4.645 30 20 DJED N#C[C@@H]1CCC[C@@H](Nc2cc(F)ccc2SCC(F)F)C1 463286499 HBEWZPGKDLHXFW-ZYHUDNBSSA-N 314.376 4.677 30 20 DJED Cc1cc(N2CCCC[C@@H]2C)ccc1N[C@@H]1CCC[C@H](C#N)C1 463301121 OEWZMTDOZQZNOG-OKZBNKHCSA-N 311.473 4.868 30 20 DJED N#Cc1cccc(CN[C@H](CC2CC2)c2ccc(Cl)cc2)c1 469048752 STTITSIHACEIKI-LJQANCHMSA-N 310.828 4.843 30 20 DJED CC(C)(C)Oc1cc(F)ccc1NCc1ccc(C#N)c(F)c1 479457087 QIEKRSXFDMDEGV-UHFFFAOYSA-N 316.351 4.626 30 20 DJED C=CC[C@@H](C(=O)N[C@@H](C)c1c(F)cccc1F)c1ccccc1 487709280 OCIGXFYOGYPPEJ-DZGCQCFKSA-N 315.363 4.502 30 20 DJED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)Nc1ccc(F)cc1C#N 489709838 DHKUEGKVRRLMOL-ZIAGYGMSSA-N 322.383 4.625 30 20 DJED N#Cc1cccc(CN2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)c1F 502789762 QBYIXTHSEAZZEN-WOJBJXKFSA-N 318.395 4.518 30 20 DJED Cc1cc(N2CCCCCC2)ccc1NCc1cccc(C#N)c1 512868323 AVELBTPLDVGJCG-UHFFFAOYSA-N 319.452 4.859 30 20 DJED N#CCCCN(Cc1ccccc1C(F)(F)F)C1CCCC1 519202354 MIQJXLAHQFVBCT-UHFFFAOYSA-N 310.363 4.754 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 538305775 VPWNTLZGOBWQNC-VQTJNVASSA-N 323.411 4.534 30 20 DJED C[C@@H](C#N)C(=O)N(Cc1cccc2ccccc12)c1ccccc1 540716271 HQJBKMUXEOOKAQ-INIZCTEOSA-N 314.388 4.533 30 20 DJED Cc1cnc([C@@H](C)Sc2ccc(C#N)c(C(F)(F)F)c2)o1 541077438 RMYNCEGWRKJNSW-SECBINFHSA-N 312.316 4.727 30 20 DJED C=C(CC)CN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 543052593 SIWLXYLWKAYQCY-GOSISDBHSA-N 300.833 4.575 30 20 DJED C=CCCCCCN(C)C(=O)c1scnc1C1CCCC1 546778956 SKFMPVJKXVQNDI-UHFFFAOYSA-N 306.475 4.619 30 20 DJED CCCCN(C(=O)Nc1ccc(F)cc1C#N)C1CCCCC1 549413896 RZLAPMOMCNRNDQ-UHFFFAOYSA-N 317.408 4.664 30 20 DJED CC(C)COc1ccc([C@H](C)NCC(C)(C)CCC#N)cc1 554068277 ZSYNOTJJAVTVOX-INIZCTEOSA-N 302.462 4.702 30 20 DJED C[C@H](c1noc(C[C@H](CC#N)c2ccccc2)n1)c1cccs1 581157416 JKVLBJOZTWFXKC-ZFWWWQNUSA-N 323.421 4.523 30 20 DJED N#C[C@H](N[C@H]1CCCC[C@H]1C(F)(F)F)c1ccc(Cl)cc1 595567115 JGFLOMUFZGYKSB-RDBSUJKOSA-N 316.754 4.615 30 20 DJED N#CCCCc1nc(Cc2ccc(C3CCCCC3)cc2)no1 596604282 CVZWFMLMIKLNLX-UHFFFAOYSA-N 309.413 4.554 30 20 DJED CC(C)c1cccc(C(=O)Nc2cccc(OCCCC#N)c2)c1 596847260 ARFVSKLKKOUYLM-UHFFFAOYSA-N 322.408 4.745 30 20 DJED CCN(C(=O)CC1(C#N)CCCCC1)[C@@H](C)c1ccc(F)cc1 596848776 OWLJPOXDCWTRAZ-HNNXBMFYSA-N 316.420 4.599 30 20 DJED C[C@H]1CCCC[C@H]1CC(=O)Nc1sc2c(c1C#N)CCCC2 604446078 USNFSDDEAQHVJG-STQMWFEESA-N 316.470 4.653 30 20 DJED Cc1cc(C#N)ccc1OCc1cc(-c2ccc(Cl)cc2)no1 608886303 FOIUJVHFFKLAAO-UHFFFAOYSA-N 324.767 4.754 30 20 DJED CC(C)(C)Sc1ccc(NC(=O)c2ccc(C#N)cc2)cc1 726757732 MULBUFOYJMWXBK-UHFFFAOYSA-N 310.422 4.701 30 20 DJED C=C(C)COc1cccc(NC(=S)N[C@@H]2CCCC[C@H]2C)c1 727283992 ALHYYHPESOZPNV-RHSMWYFYSA-N 318.486 4.507 30 20 DJED CSCCc1ccc(N=Cc2cc(Cl)ccc2O)cc1 727653219 HWTYQNKLGXBNCU-UHFFFAOYSA-N 305.830 4.702 30 20 DJED C#Cc1cccc(N(C(=O)c2cccc(OCCC)c2)C(C)C)c1 728246860 LZKXGPVPXYXHLY-UHFFFAOYSA-N 321.420 4.512 30 20 DJED O=C(/C=C\c1cccnc1Cl)c1ccc(Cl)cc1Cl 728694794 JOMGANNJNXBROC-UTCJRWHESA-N 312.583 4.938 30 20 DJED CC(=NNc1cc(F)c(F)cc1F)c1ccc(F)cc1Cl 734301773 ORNOJMSPZLRCOI-UHFFFAOYSA-N 316.685 4.733 30 20 DJED Cc1ccc(/C=C/C(=O)c2c(Cl)nc3ccccn23)cc1C 737446069 NFYXUIPJHGZBJC-CMDGGOBGSA-N 310.784 4.501 30 20 DJED COc1ccc(/C=C\C(=O)c2cc(C)ccc2OC)cc1Cl 741472315 VMBLAFPAQDTCPD-ALCCZGGFSA-N 316.784 4.562 30 20 DJED CCCC(CCc1ccccc1)=NNc1cc(Cl)nc(C)n1 741764076 SBTGBROLBKOMSS-UHFFFAOYSA-N 316.836 4.639 30 20 DJED COc1ccc(/C=C2\C(=O)c3ccsc3S[C@H]2C)cc1F 742437771 XIKMHWVKGRIFSZ-PPLKPFPSSA-N 320.410 4.656 30 20 DJED CCCCCCCCC(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 742972211 UREHUFRJGYDORZ-IEBWSBKVSA-N 317.473 4.726 30 20 DJED C/C(=C/C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)C(C)(C)C 744119961 YMBSRRHOLGEPSP-UMAGTOLTSA-N 316.401 4.604 30 20 DJED Cc1cnc([C@@H](C)/N=C\c2cc(Cl)cc(Cl)c2O)s1 749931239 SGYDXBMWNBWUFJ-PJZQIRIWSA-N 315.225 4.644 30 20 DJED O=C(/C=C/c1cc2ccccc2o1)c1cccc(OC(F)F)c1 750902695 MJFOJYCITFJDBE-CMDGGOBGSA-N 314.287 4.930 30 20 DJED CCCn1c(-c2ccc(O[C@@H](C)C#N)cc2)nc2c(F)cccc21 758455123 SVFMWXGKABTNCD-ZDUSSCGKSA-N 323.371 4.543 30 20 DJED CCCCCCCS(=O)(=O)Cc1ccc(C(F)(F)F)cc1 764727986 FACLHCTXFUAZHE-UHFFFAOYSA-N 322.392 4.591 30 20 DJED CC(C)(C#N)c1ccccc1COC(=O)C(C)(C)c1ccccc1 767986548 CHBWNEUHDINNFA-UHFFFAOYSA-N 321.420 4.509 30 20 DJED Cc1c(C#N)cccc1NC(=S)Nc1ccc(C(C)C)cc1 769795709 PYTJWFJOQLYMIM-UHFFFAOYSA-N 309.438 4.799 30 20 DJED C=C[C@@H]1CCCCN1C(=O)c1cc2c3ccccc3n(C)c2s1 785856393 OUPBVTFDZYPHGY-CYBMUJFWSA-N 324.449 4.574 30 20 DJED FC(F)c1ccc(C=NNc2nc3ccccc3s2)cc1 794445581 QHDXKHUDJIIRTR-UHFFFAOYSA-N 303.337 4.680 30 20 DJED COc1ccc(C(=O)/C=C/c2cc(Cl)cs2)c(C)c1OC 794739441 PTVXTBRFBFQYAB-GQCTYLIASA-N 322.813 4.623 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1ccc(N2CCCCCC2)cc1 798495310 WMTBSUFHKYAITF-MRXNPFEDSA-N 315.461 4.543 30 20 DJED N#CCCCCCC(=O)OC1c2ccccc2-c2ccccc21 805862355 WDZZPKFFIKPLOU-UHFFFAOYSA-N 305.377 4.774 30 20 DJED CC1(C#N)CCC(Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)CC1 824286386 BKQIMEWSNWHZHK-JOSFTKKCSA-N 309.457 4.560 30 20 DJED CCCC[C@@](C)(F)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 850829424 KCHJCKPCABTLMJ-BDJLRTHQSA-N 322.380 4.530 30 20 DJED C=C1CCC(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 888862948 VHQHSCVQRCOXBA-AWEZNQCLSA-N 314.454 4.623 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(C#N)cc2)c2ccccc12 915981782 YDQQQLSYRXWNCE-ZRDIBKRKSA-N 313.356 4.616 30 20 DJED CCCCCCCCC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 920299298 ZTVZCHSDBWIGGE-MJGOQNOKSA-N 317.473 4.726 30 20 DJED N#C[C@H]1CC[C@@H](N[C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)C1 927063713 DBBGHQIFBQGSPZ-RWCSOYMTSA-N 318.420 4.533 30 20 DJED CC(C)(C)[C@H](NC(=O)CCCCCC#N)c1cccc(F)c1 1117539185 OLIMGPAFRCKRPZ-QGZVFWFLSA-N 304.409 4.503 30 20 DJED CC(C)[C@@H](CC(=O)O[C@H](C)c1cccc(C#N)c1)c1ccccc1 1127091484 RFPYNYYWGZHCDF-OXQOHEQNSA-N 321.420 4.992 30 20 DJED Cc1oc2ccc(NC(=O)c3ccc(Cl)c(C#N)c3)cc2c1C 1128261704 SDJMZDCAPIZTMH-UHFFFAOYSA-N 324.767 4.827 30 20 DJED CC(C)CC[C@@H]1CCCN1Cc1ccc(C#N)cc1OC(F)F 1168127430 XDPGJDOUBXFYMX-INIZCTEOSA-N 322.399 4.560 30 20 DJED CC(C)CN(Cc1cccc(Cl)c1)Cc1ccc(C#N)s1 1174862593 CALVDTZKEXWVKW-UHFFFAOYSA-N 318.873 4.931 30 20 DJED Cc1ccccc1-c1ccccc1CNCc1cccc(C#N)c1 1177217309 LNKGNKXKJXLMSH-UHFFFAOYSA-N 312.416 4.824 30 20 DJED N#Cc1cccc(OCc2cccc(SC(F)(F)F)c2)c1 1188522045 IWZXBZOXQAWPFZ-UHFFFAOYSA-N 309.312 4.749 30 20 DJED N#CC[C@H]1CCCN(CCCc2c(Cl)cccc2Cl)C1 1206646180 PQJCQFXJQGMXLN-CYBMUJFWSA-N 311.256 4.552 30 20 DJED CC[C@H](C)CCC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 1264468468 WQTZAVZNBGGZCO-AWEZNQCLSA-N 323.396 4.510 30 20 DJED COc1cc(CN[C@H](CC(C)(C)C)c2ccccc2)ccc1C#N 1308201480 JGENWDNZCCFRBJ-LJQANCHMSA-N 322.452 4.834 30 20 DJED CCCCC[C@@](C)(CC)C(=O)Nc1ccc(OCC#N)cc1 1320798018 OPTSGLUXKTYHSA-GOSISDBHSA-N 302.418 4.524 30 20 DJED CC(C)(C)c1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1 1348406447 TYEKBFAECIDNII-UHFFFAOYSA-N 312.800 4.761 30 20 DJED CC[C@H](C)c1ccc(C(=O)Nc2ccc(C#N)cc2Cl)cc1 1435513567 OHLUZOADUYHLJP-LBPRGKRZSA-N 312.800 4.977 30 20 DJED Cc1cc(OCc2cc(-c3ccc(Cl)cc3)no2)ccc1C#N 1473025013 JPWAYWGKQSXJOQ-UHFFFAOYSA-N 324.767 4.754 30 20 DJED CC(C)(C)C1CCC(CNCc2cccc(OCC#N)c2)CC1 1474001605 XUMDEHLFWFPLLA-UHFFFAOYSA-N 314.473 4.531 30 20 DJED C[C@H](NCCc1ccc(C(C)(C)C)cc1)c1cccc(C#N)c1 1561006272 NFCMUXDHKNEROB-INIZCTEOSA-N 306.453 4.749 30 20 DJED CO[C@@H]1CCC[C@H](Sc2ccc(C#N)c(C(F)(F)F)c2)C1 1613667450 IWQVGGSCKWNHAB-NEPJUHHUSA-N 315.360 4.627 30 20 DJED CCN(Cc1cccc(SCc2ccccc2)c1)[C@@H](C)C#N 1643952120 KBRRVJCZKCQQCC-INIZCTEOSA-N 310.466 4.713 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1N1CCc2c(F)cccc21 1651727017 XUPYRCDLPNSUHD-UHFFFAOYSA-N 323.758 4.593 30 20 DJED CCC[C@@H](C=NNc1cccc(C(=O)O)c1C)c1ccccc1 1776087090 IECDKEGHQSMVNO-INIZCTEOSA-N 310.397 4.675 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1cc(C)cc(C)c1 1776783726 GBRCPOKWYOCMPL-SFHVURJKSA-N 305.462 4.597 30 20 DJED Cc1cccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1C 108238676 NQLBZWSLMVREEG-ZDUSSCGKSA-N 324.449 4.808 30 20 DJED Cc1nc(SCCC(C)(C)C#N)c2c(C)c(C)sc2n1 123666987 WJTJPWSPMCVDGI-UHFFFAOYSA-N 305.472 4.649 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2cccc(Cl)c2Cl)s1 176408459 YEEYVUUIWVMQIF-VOTSOKGWSA-N 308.189 4.823 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)/C=C1/CC[C@H](C)C1 267855268 MKNMYFIHYRBWOH-IFEHCOMVSA-N 314.454 4.623 30 20 DJED CC[C@H](N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(C#N)cc1 278680578 JVODBUSWQYSXIV-QHAWAJNXSA-N 320.436 4.519 30 20 DJED C[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(C#N)cc1 301159253 DCHUICWCIMZIMR-NSHDSACASA-N 315.298 4.622 30 20 DJED CC(C)c1nc([C@H](C)/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)n[nH]1 329204185 XMJIGMJDCNOUGV-ZQDZILKHSA-N 318.465 4.552 30 20 DJED Cc1nc(C2CC2)oc1/C(O)=N/[C@H]1CCC(C)(C)c2ccccc21 329804377 ZYRPEWWITHFNRI-INIZCTEOSA-N 324.424 4.978 30 20 DJED C[C@H](CCc1ccc(F)cc1)N[C@@H](CCC#N)c1ccccc1 358330645 RJYDBFFFABXPFG-UZLBHIALSA-N 310.416 4.781 30 20 DJED N#CCCCOc1cccc(NC(=O)CC2CCCCCC2)c1 426146341 UOCWWCQDEPMKTF-UHFFFAOYSA-N 314.429 4.668 30 20 DJED CC1(C#N)CCC(N[C@H]2C[C@H](c3ccccc3Cl)C2)CC1 449344369 QKEZRAUDAYDNDH-CAXWJHAQSA-N 302.849 4.648 30 20 DJED Cc1ccc([C@H]2OCCC[C@H]2CNc2ccc(F)cc2C#N)cc1 463059552 PVXCPNKNZVQKAH-OXJNMPFZSA-N 324.399 4.586 30 20 DJED CC[C@@H](CC#N)NC(=O)Nc1ccccc1Oc1cccc(C)c1 475005630 IBRKVJIRUWUJDI-HNNXBMFYSA-N 323.396 4.601 30 20 DJED C=C(C)[C@H](N[C@H](C)c1ncccc1CC)c1ccc(F)c(F)c1 480665181 QHTKYVURDCEDAC-ACJLOTCBSA-N 316.395 4.890 30 20 DJED CC(C)(C#N)c1ccccc1CN[C@]1(C)CCCc2ccccc21 483830430 OIGLBHPAHJBMPD-JOCHJYFZSA-N 318.464 4.829 30 20 DJED C=CCC[C@H](C(=O)Nc1ccc(OC)cc1C)c1ccccc1 488330400 LAAKIMZXSSWEAJ-SFHVURJKSA-N 309.409 4.692 30 20 DJED C=C[C@H](CC(=O)N[C@@H]1CCC[C@@H](SCC)C1)c1ccccc1 534661091 ZSNRNONMGQIOCD-KBAYOESNSA-N 317.498 4.527 30 20 DJED C=CC[C@H](C)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 540170700 TVKMRKGXZZVOBD-RYUDHWBXSA-N 304.434 4.873 30 20 DJED COc1ccccc1[C@H](CC(C)C)NCc1ccc(CC#N)cc1 541325097 DAKNMZLFWNCELM-FQEVSTJZSA-N 322.452 4.638 30 20 DJED CC[C@@H](C#N)Sc1nnc(Nc2ccc(C(C)C)cc2)s1 548031142 QFDNQDSKRAYQEA-ZDUSSCGKSA-N 318.471 4.799 30 20 DJED C=CCC[C@H](CC)NC1CCC(Oc2ccccc2C#N)CC1 565766409 HJCCPRBIHJXZFU-VIQWUECVSA-N 312.457 4.583 30 20 DJED N#Cc1ccc2c(c1)[C@H](N[C@@H]1CC[C@@H](c3ccc(F)cc3)C1)CC2 583842478 VLFQJXXGXDCDMK-YFVAEKQCSA-N 320.411 4.611 30 20 DJED C=C(C)COc1cccc(NC(=O)Nc2ccccc2Cl)c1 589652361 GQOUMISTPQLLJP-UHFFFAOYSA-N 316.788 4.939 30 20 DJED Cc1ccccc1[C@H](NC(=O)CCCC#N)C1CCC(C)CC1 589703152 ISJQXGZIYPWMRZ-MKJPBZQASA-N 312.457 4.673 30 20 DJED C=C(C)[C@@H](NC(=O)c1c(C)oc(C)c1C)c1ccc(F)c(F)c1 671798088 KMUNIMQJKVMGPW-QGZVFWFLSA-N 319.351 4.530 30 20 DJED CC(CSC(C)(C)C)=NNc1ncc(Cl)cc1Cl 729636167 WHJIKXIKDABCEA-UHFFFAOYSA-N 306.262 4.708 30 20 DJED COCc1ccc(/C=C2/CCc3cc(SC)ccc3C2=O)cc1 741842841 IMWBSSASUWAKHA-BOPFTXTBSA-N 324.445 4.767 30 20 DJED Cc1cccc2c1C/C(=C/c1ccc(Cl)nc1Cl)C2=O 761475349 DRTJVVYKARZWNN-XFFZJAGNSA-N 304.176 4.519 30 20 DJED COc1cc(-c2ccccc2)ccc1/C=C/C(=O)c1ccncc1 781107681 WOBBNQKMDBIIGB-MDZDMXLPSA-N 315.372 4.653 30 20 DJED CC(C)(C)Oc1c(F)cc(N=Cc2ccccc2O)cc1F 782174027 BLDCAAODYXDGKJ-UHFFFAOYSA-N 305.324 4.598 30 20 DJED CCCCCCCCC[S@](=O)Cc1sc(C)nc1C 790138017 CHJPGLMQOIRUAS-IBGZPJMESA-N 301.521 4.759 30 20 DJED C[C@@H](ON=Cc1ccccc1C(F)(F)F)c1cccc(C#N)c1 794714374 OWFIJFAHCOEHPD-GFCCVEGCSA-N 318.298 4.689 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N1Cc2ccncc2C1 848384062 XFARCIDTFQJCKE-INIZCTEOSA-N 302.462 4.701 30 20 DJED Fc1ccc(CON=C[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 853333324 HPJIJCPBPWLYSG-OLZOCXBDSA-N 303.299 4.697 30 20 DJED C=CCCCCC[C@@H](C)N[C@@H](C(=O)O)c1cccc(C)c1C 901854188 OFERMMQMCQUCHW-CRAIPNDOSA-N 303.446 4.544 30 20 DJED Cc1ccc(-c2n[nH]cc2/C=C2\CCc3ccccc3C2=O)cc1 920062961 KHGHNSNGEGUZIZ-SFQUDFHCSA-N 314.388 4.598 30 20 DJED O=C1/C(=C/c2ccccc2C(F)(F)F)Cc2c(F)cccc21 921264554 WKIBGUMWVVNUBU-DHZHZOJOSA-N 306.258 4.667 30 20 DJED COc1ccc(C#N)cc1NCc1ccc(-c2ccc(F)cc2)o1 1178901813 XXWJABVQDUAVKM-UHFFFAOYSA-N 322.339 4.578 30 20 DJED N#Cc1ccc(Nc2ccc(Oc3cccc(Cl)c3)cc2)nn1 1306948125 ZMCNHUGEPWHWJO-UHFFFAOYSA-N 322.755 4.538 30 20 DJED C[C@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@@H](C)c1ccccc1 1306987112 WAFDIUKHRRVWEC-NEPJUHHUSA-N 319.330 4.576 30 20 DJED C[C@@H](CC(C)(C)c1ccccc1)N[C@H]1CCc2cc(C#N)ccc21 1308738247 RCVULQCZHFFGJD-KKSFZXQISA-N 318.464 4.892 30 20 DJED CC(C)Cc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)s1 1348339449 RFJYGHTZTNPPDF-UHFFFAOYSA-N 318.829 4.724 30 20 DJED N#Cc1cccc(C#N)c1N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 1458434267 XWIQSEHMNWAQAI-KDOFPFPSSA-N 321.811 4.832 30 20 DJED Cc1c(C#N)c(SCc2ccc(Cl)s2)nc2c1CCC2 1472951716 IQIGHBXKOBSQPJ-UHFFFAOYSA-N 320.870 4.758 30 20 DJED C[C@@H](OC(=O)[C@H](C)c1ccc(Cl)cc1)c1cccc(C#N)c1 1525572672 YTLLYXXNUOTLGS-CHWSQXEVSA-N 313.784 4.620 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)CC(C)(C)C)c2C#N)[C@@H](C)C1 1583689278 GLYBSBBTQHPRRQ-QWRGUYRKSA-N 304.459 4.680 30 20 DJED Fc1cc(C(F)(F)F)c(F)cc1COc1cccc(F)c1F 1643690855 MVXLBXKOFDAASZ-UHFFFAOYSA-N 324.195 4.841 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)c1nc2cccc(F)c2o1 1655045576 HLERIFYHKYYDES-UHFFFAOYSA-N 323.371 4.501 30 20 DJED CN(Cc1ccc(C2CCCC2)cc1)Cc1cccc(C#N)c1 1657582747 ZQIQCJFPGQLLKR-UHFFFAOYSA-N 304.437 4.848 30 20 DJED Cc1c(C#N)cccc1NC(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C 1659837964 QHHPUNYMJGYKRC-NVXWUHKLSA-N 313.445 4.545 30 20 DJED C=CC[C@]1(C(=O)O)CCCN([C@@H](CC)c2ccc(Cl)cc2)C1 1776154452 BBOVFNDVAZJJQU-WMZOPIPTSA-N 321.848 4.534 30 20 DJED C=CCOc1cccc(NC(=O)Cc2cccc3ccccc23)c1 14783742 RZQQSGREQXPPPS-UHFFFAOYSA-N 317.388 4.586 30 20 DJED Cc1cc(C)c(C#N)c(SCc2coc(-c3ccccc3)n2)n1 36885478 HSADPWMEHIKHCX-UHFFFAOYSA-N 321.405 4.517 30 20 DJED CCCOc1ccc(NC(=O)C2(C#N)CCCCC2)cc1Cl 57396720 SSGZPCGVEZEPNU-UHFFFAOYSA-N 320.820 4.541 30 20 DJED CC[C@@H](C#N)Oc1cccc(CN[C@H](CC)c2ccccc2)c1 72997927 AJFQKUHCNVHSHU-AZUAARDMSA-N 308.425 4.608 30 20 DJED N#CCC[C@@H](N[C@H]1CCSc2ccccc21)c1ccccc1 90664518 PHQQAZOWEOLJQX-MSOLQXFVSA-N 308.450 4.858 30 20 DJED O=C(/C=C/c1csc(-c2ccsc2)n1)c1ccccc1F 156584384 YQCZPINNKQDAPB-AATRIKPKSA-N 315.394 4.907 30 20 DJED CC(C)Sc1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1 170898851 FKWCYNKNDSTDGB-UHFFFAOYSA-N 318.486 4.589 30 20 DJED C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@H]1CCCCC1(C)C 182109647 BSQLNOVJFAJBML-LSDHHAIUSA-N 314.429 4.522 30 20 DJED N#Cc1ccc(CN[C@H]2CCc3ccc(-c4ccccc4)cc32)o1 189576448 IQUOKTXWFNRPNP-NRFANRHFSA-N 314.388 4.595 30 20 DJED CCN(C)c1ccc([C@H](C)N[C@H](CCC#N)c2ccccc2)cc1 246322067 FKZWATYULGIXBI-LAUBAEHRSA-N 321.468 4.838 30 20 DJED N#CCCCOc1cccc(NCc2cccc(C(F)F)c2)c1 280096232 UAVGPEQPTKPJJJ-UHFFFAOYSA-N 316.351 4.919 30 20 DJED Cc1csc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 294496187 FFYFSMNZUYSCCT-GFCCVEGCSA-N 316.451 4.703 30 20 DJED C[C@H](Nc1ccc(C#N)cc1F)c1ccccc1C(F)(F)F 316858124 VFHGNAIRCSZPHN-JTQLQIEISA-N 308.278 4.889 30 20 DJED Cc1ccnc(C)c1N/C(O)=N/[C@H]1CCCCC12CCCC2 329600115 DWEBPCVTXIGQQL-HNNXBMFYSA-N 301.434 4.527 30 20 DJED CC(C)(C)CN(CCC#N)Cc1nc(-c2ccccc2)cs1 353423725 SEMLNSAXIIRKIV-UHFFFAOYSA-N 313.470 4.572 30 20 DJED C=CCC[C@@H](N[C@H]1CCCc2cnn(C(C)C)c21)c1ccco1 367597180 REDBRIABWNUWFO-SJORKVTESA-N 313.445 4.732 30 20 DJED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OCc2ccccc2)cc1 424329104 OZORGGMXRSZCMT-IMFGXOCKSA-N 320.436 4.608 30 20 DJED Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2cc(C#N)cs2)cc1 437705942 VKMWITQESOURFM-RDTXWAMCSA-N 324.449 4.542 30 20 DJED CC[C@H](NCc1ccc(C#N)cc1Cl)c1ccc(F)cc1F 439432742 VLROEABTCDPAQH-KRWDZBQOSA-N 320.770 4.731 30 20 DJED CC(C)(CN[C@H]1CC[C@@H](C#N)C1)c1ccc(Cl)c(Cl)c1 442781033 NRSLHUHGZQJVLG-YPMHNXCESA-N 311.256 4.553 30 20 DJED N#CCc1cccc(NC(=O)CCCCCc2cccs2)c1 456736010 RCINITGZBCPPAY-UHFFFAOYSA-N 312.438 4.556 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@H]1c1ccc(F)cc1C 456852796 QICFYSWHYYIFLV-SFHVURJKSA-N 301.405 4.566 30 20 DJED CC(C)(CC#N)CNC(=O)c1ccccc1Sc1ccccc1 457995590 QOJQGIBLLGYXLF-UHFFFAOYSA-N 324.449 4.507 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1ccc(Br)cc1Cl 467866270 SVPCDMCMSXESRF-CYBMUJFWSA-N 316.626 4.643 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1cccc(COc2ccccc2)c1C 472888286 NWEHSKBHHQXPEE-OAHLLOKOSA-N 324.424 4.660 30 20 DJED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1 474087863 GMDAMPZOFVHPAX-UHFFFAOYSA-N 316.763 4.533 30 20 DJED CCN(C(=O)C[C@@H](CC#N)c1ccccc1)c1cc(C)ccc1C 475025465 WVNCJGYBDJKXFP-LJQANCHMSA-N 320.436 4.744 30 20 DJED C[C@@H](N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(C#N)cc1 479537832 HKAMMLPPETVURG-OMWUSAIZSA-N 310.828 4.808 30 20 DJED C=CC[C@@H](C(=O)N[C@@H](C)c1cccc(F)c1F)c1ccccc1 489631351 SDQAMZHYUQVZHZ-XJKSGUPXSA-N 315.363 4.502 30 20 DJED N#CCc1ccc(CNc2cc(Cl)c(Cl)cc2F)cc1 490371845 PVWDIJBVBGSPKL-UHFFFAOYSA-N 309.171 4.811 30 20 DJED CC[C@@H](C)CN(CC)C(=O)c1ccccc1-c1ccccc1C#N 490883926 CVYQJQYQMPVWHP-MRXNPFEDSA-N 320.436 4.733 30 20 DJED Cc1ccccc1[C@H](NCc1cccc(C#N)c1)C1CCCC1 494918415 AMFPIXONFCBGQS-OAQYLSRUSA-N 304.437 4.888 30 20 DJED CCOc1ccc(CN(CC)[C@H](C)c2ccc(C#N)cc2)cc1 507689875 UZOHVRDJHBHASU-MRXNPFEDSA-N 308.425 4.540 30 20 DJED C=C(C)CN(CCCCC(F)(F)F)Cc1cnn(C(C)C)c1 512547311 LTBGKIUATUWXPR-UHFFFAOYSA-N 317.399 4.575 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccc2ncsc2c1 521441034 XIEWWPNIYBBWNI-UHFFFAOYSA-N 323.421 4.516 30 20 DJED C=CCOc1ccc(Oc2ncncc2-c2ccccc2)cc1 536992573 NJMWWVCVLLJBOT-UHFFFAOYSA-N 304.349 4.501 30 20 DJED COc1cc(-c2ccccc2)ccc1CNCC(C)(C)CCC#N 571240670 JXPWLJMYODJXPC-UHFFFAOYSA-N 322.452 4.782 30 20 DJED CC(C)(CCC#N)CN[C@H]1CCc2cc(Cl)cc(Cl)c21 588232177 NBVSCWWRPWDTMC-AWEZNQCLSA-N 311.256 4.900 30 20 DJED CC[C@@H](C)Sc1ccc(-c2noc(C3(C#N)CCC3)n2)cc1 592415564 WEUCXUQHZQREGE-GFCCVEGCSA-N 313.426 4.572 30 20 DJED N#C[C@H](c1ccccc1)N1CCC[C@@H]1c1nc2ccccc2s1 595290878 FVLIDLKSJOZBAD-IAGOWNOFSA-N 319.433 4.698 30 20 DJED N#CC1(CC(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)CCCCC1 597695027 ODUGJVCCACDSJN-IBGZPJMESA-N 322.452 4.604 30 20 DJED CCN(C(=O)C[C@@H](C)CC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 603956516 VJMFFFNQQZOSPR-CVEARBPZSA-N 314.473 4.930 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCC[C@@H]1c1ccc(O)cc1 610859173 HJTUZUJQERTRLO-HXUWFJFHSA-N 320.436 4.530 30 20 DJED C[C@@H]1CCc2ccccc2[C@H]1NCc1ccc(C#N)c(Cl)c1 619754493 AXYZRGIGDAQZJZ-YJYMSZOUSA-N 310.828 4.625 30 20 DJED CSCc1ccc(N=Cc2cc3ccccc3nc2O)cc1 727263687 FIHXBXYKDOGREQ-UHFFFAOYSA-N 308.406 4.554 30 20 DJED CN(Cc1ccc(OCC#N)cc1)c1ccc(C(C)(C)C)cc1 731211840 DLNXNUWCBNNEGZ-UHFFFAOYSA-N 308.425 4.523 30 20 DJED COc1cc(C)c(C(C)=NNc2ccccc2Cl)cc1OC 731314315 AQXMHTGBFSJOHO-UHFFFAOYSA-N 318.804 4.502 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)C[C@H]2CCC[C@@H](C)C2)n1 747194351 YYESKPWJMYTYOQ-HZSPNIEDSA-N 304.459 4.659 30 20 DJED O=C(/C=C\c1ccc2ncccc2c1)c1c[nH]c2cc(F)ccc12 749451568 GOHPATGEIXLKGJ-YWEYNIOJSA-N 316.335 4.751 30 20 DJED C[C@@H](Nc1nc2ccccc2cc1C#N)c1c(F)cccc1F 750016581 ANBWGEWJFLMUJZ-LLVKDONJSA-N 309.319 4.558 30 20 DJED COc1cccc(NN=C2CC(c3cccc(Cl)c3)C2)c1 753924610 WFQGHXHHEWZYDD-UHFFFAOYSA-N 300.789 4.694 30 20 DJED CN(Cc1ccccc1)c1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1 765922036 WUVMGMHCFZVOHP-QUCCMNQESA-N 319.452 4.817 30 20 DJED CCCCCCCCCCC(=O)N1CCCC12CCN(C)CC2 768831650 ALJICOQECSYHRU-UHFFFAOYSA-N 322.537 4.604 30 20 DJED C=CCCC[C@@H](C)NC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 775780730 OYPRTZCLCSCLND-DYVFJYSZSA-N 322.399 4.556 30 20 DJED CCOc1ccc(N[C@@H]2CCCc3cc(C#N)ccc32)cc1F 776857491 DSKWEDSYXVLXJX-GOSISDBHSA-N 310.372 4.586 30 20 DJED C#CCCCCCC(=O)Nc1ccc(Nc2ccccc2)cc1 779880516 AAKBXYAUNCBWGJ-UHFFFAOYSA-N 306.409 4.952 30 20 DJED C#Cc1cccc(N(C)C(=O)c2ccc(-c3ccc(C)o3)s2)c1 781632501 YBXGEEHRTQVGQQ-UHFFFAOYSA-N 321.401 4.574 30 20 DJED CC1(C)CCC(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)CC1 797569803 XJZLIYMHVWHDCR-ZDUSSCGKSA-N 318.486 4.833 30 20 DJED N#Cc1sc(N2CCC[C@H]2c2ccccc2Cl)nc1Cl 804360783 PIRMVCUVCVXUKO-NSHDSACASA-N 324.236 4.663 30 20 DJED N#CCCCCCC(=O)OCc1cc(Cl)ccc1Cl 805697189 RBRUTGVLTISISC-UHFFFAOYSA-N 300.185 4.511 30 20 DJED C=CCCCCCCCCNC(=O)N1CCC[C@@H]1c1ccc[nH]1 807592907 VNYQCVXUBYSNBQ-GOSISDBHSA-N 317.477 4.778 30 20 DJED O=C1/C(=C\c2ccc3cnccc3c2)Oc2cccc(Cl)c21 811699855 YAAWISHMJKXAKC-CXUHLZMHSA-N 307.736 4.504 30 20 DJED CCCCCCCCNC(=O)N1CC(C)(C)[C@H]1c1ccncc1 814315289 SQJACLPMROGLFZ-QGZVFWFLSA-N 317.477 4.535 30 20 DJED Cc1noc(C)c1/C=C\C(=O)c1ccc(-c2cccs2)cc1 818259387 CTWYGJNXEQZHBF-KTKRTIGZSA-N 309.390 4.916 30 20 DJED CCCC[C@@H](CC)CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842940917 FUEOGVNTBYBRND-TZMCWYRMSA-N 304.459 4.803 30 20 DJED C=CCN(C(=O)c1cnc(-c2cccc(Cl)c2)s1)C(C)C 844323365 NLVNOMWYWUOABH-UHFFFAOYSA-N 320.845 4.500 30 20 DJED CCCCCCCC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 884920583 XXZQICMKDVQJDT-GOSISDBHSA-N 303.446 4.719 30 20 DJED CC(C)c1ccc(/C=C/C(=O)c2cccc(F)c2)cc1[N+](=O)[O-] 916134785 ZDONUFQTPGXQRJ-VQHVLOKHSA-N 313.328 4.753 30 20 DJED N#CCCCCN[C@H](Cc1cccc(F)c1Cl)c1ccco1 924943320 UMUKVYFDQIWKLR-OAHLLOKOSA-N 320.795 4.639 30 20 DJED N#CCN(C(=O)c1ccc(-c2cccs2)s1)c1ccccc1 1116535402 XWAZTEAOKFNUGU-UHFFFAOYSA-N 324.430 4.647 30 20 DJED CC(C)(C)c1csc(NC(=O)CC(C)(C)C2CC2)c1C#N 1129360896 DLIQFOWKURTNAP-UHFFFAOYSA-N 304.459 4.682 30 20 DJED N#Cc1ccc(NCC2(c3ccc(Cl)cc3)CCCC2)nc1 1185007177 IVFKACWFVIIXGY-UHFFFAOYSA-N 311.816 4.531 30 20 DJED CCC[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C1CCCC1 1275595830 HUZSXMQFDBNGOK-SFHVURJKSA-N 312.457 4.576 30 20 DJED CCc1ccc2ccccc2c1CNc1ncc(C#N)cc1Cl 1307205087 DRZBAWIMLQQVHT-UHFFFAOYSA-N 321.811 4.934 30 20 DJED CC[C@H](C)N(CCc1ccccc1F)Cc1cccc(C#N)c1 1307438730 NHQIEKWDPYJZKF-INIZCTEOSA-N 310.416 4.541 30 20 DJED CC(C)c1ccccc1N=C1NN=C(c2cccs2)CS1 1318189817 OVXHCPKRGALZEC-UHFFFAOYSA-N 315.467 4.600 30 20 DJED Cc1cccc([C@@H](NC(=O)c2ccc(F)c(C#N)c2)C(C)(C)C)c1 1351236173 GZSWGGOJNPMTJN-GOSISDBHSA-N 324.399 4.523 30 20 DJED C[C@H](OC(=O)C1(Cc2ccccc2)CCC1)c1ccc(C#N)cc1 1457191005 KNYPXWIZNNHRLO-INIZCTEOSA-N 319.404 4.575 30 20 DJED C=C(Br)CN[C@H](c1ccccc1Cl)C(C)C 1459860081 KGVBWCKFEGBBHU-ZDUSSCGKSA-N 302.643 4.535 30 20 DJED N#CCC1(CN2CCC(c3c(Cl)cccc3Cl)CC2)CC1 1460175791 ZXUYYVXFTXYKPN-UHFFFAOYSA-N 323.267 4.867 30 20 DJED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(-c3ccccc3)s2)C1 1460800505 ZQPQFIDODYKFNU-UKRRQHHQSA-N 311.406 4.654 30 20 DJED Cc1cc(NC[C@H]2CCC(C)(C)c3ccccc32)ncc1C#N 1472733169 SGTUAVXRBAPZCD-OAHLLOKOSA-N 305.425 4.529 30 20 DJED Cc1cc(C#N)ccc1CN1C[C@@H](C)CC[C@@H]1c1ccccc1 1473465107 PJLZJQFZXLBKSC-HRAATJIYSA-N 304.437 4.840 30 20 DJED CC(C)C(C)(C)CNC(=O)c1ccccc1-c1ccccc1C#N 1516921741 AVHPDJWQFBDCPY-UHFFFAOYSA-N 320.436 4.637 30 20 DJED C[C@@H](OC(=O)[C@H]1CC[C@H](C2CCC2)CC1)c1cccc(C#N)c1 1518214513 XNICCEYJLBGUBJ-ZTFGCOKTSA-N 311.425 4.769 30 20 DJED CC(C)CCC(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@@H](C)CC2 1524020605 IENXVZIQPHMNAZ-RYUDHWBXSA-N 304.459 4.680 30 20 DJED CC(C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)C)C2 1527278239 PNELYVABLZBQQB-CYBMUJFWSA-N 318.486 4.755 30 20 DJED CC[C@H](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 1530062273 ZBTNQOPDLWUCKK-LBPRGKRZSA-N 304.459 4.653 30 20 DJED CC(C)CC(CC(C)C)C(=O)N(C)c1ccc(C#N)c(Cl)c1 1534657438 BJILKJAATFQYND-UHFFFAOYSA-N 320.864 4.883 30 20 DJED CC[C@H](CC(=O)Nc1cccc(C#N)c1C)c1ccc(C)cc1 1534738452 QEVZJAWJGKFSDV-MRXNPFEDSA-N 306.409 4.698 30 20 DJED Cc1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)c2ccccc12 1544194421 UTXXUJGQOYWOLF-OAHLLOKOSA-N 315.372 4.938 30 20 DJED Cc1cc(NCc2ccc(C#N)c(F)c2)cc(C(F)(F)F)c1 1621430213 YXOBMVVVCBRKQV-UHFFFAOYSA-N 308.278 4.637 30 20 DJED CC(C)(C)[C@H]1CCC[C@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 1622780517 GCICPONEIPRVHT-DZGCQCFKSA-N 319.836 4.548 30 20 DJED Cc1ccccc1SC[C@H](C)CN[C@@H](C)c1cccc(C#N)c1 1644465423 LYUBEDBCPOZCMB-WBVHZDCISA-N 324.493 4.946 30 20 DJED N#Cc1ccc(Nc2ccc3[nH]ccc3c2)cc1Br 1651495365 DQUVVXIGFCTAIC-UHFFFAOYSA-N 312.170 4.546 30 20 DJED N#CC1(CCSc2nc3ccc(F)cc3o2)CCCCC1 1652216942 GUAGUOMICNVWJK-UHFFFAOYSA-N 304.390 4.923 30 20 DJED CCCN(Cc1ccc(C#N)cc1C)[C@H](C)c1ccccc1OC 1652361266 RXDFDNVBYSOILN-QGZVFWFLSA-N 322.452 4.849 30 20 DJED CCC(C)(C)CCSc1nc(C(F)(F)F)ccc1C#N 1652785434 KKXRBZLSBVRPPQ-UHFFFAOYSA-N 302.365 4.890 30 20 DJED Cc1cccc(-n2ccnc2S[C@H](C)c2cccc(C#N)c2)c1 1656097580 UFTITNIIZUXYLZ-OAHLLOKOSA-N 319.433 4.906 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[C@H]2CCCC[C@H]2C1 1660053712 PUPSNUXMJVNILO-FKPGQJDZSA-N 308.469 4.884 30 20 DJED CC(C)[C@H]1/C(=C\c2cccc(C(=O)O)c2F)C(=O)c2ccccc21 1776308761 MQCQNLORWNTWBH-BRVCPTFNSA-N 324.351 4.543 30 20 DJED N#Cc1c(NC(=O)c2cc3ccccc3s2)sc2c1CCC2 60915432 OGOIWCUXYRUYME-UHFFFAOYSA-N 324.430 4.575 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)CC1CCCC1 66800795 JBHRDQANCXHDIA-CYBMUJFWSA-N 302.443 4.600 30 20 DJED CCN(C(=O)c1cc2cc(C)c(C)cc2o1)c1ccc(C#N)cc1 151993087 ARTMYSHCTQGDTJ-UHFFFAOYSA-N 318.376 4.588 30 20 DJED Cc1cccc(COc2ccc([C@@H](C)NCCCCC#N)cc2)c1 178649946 OHBSOIVFMDTOQL-GOSISDBHSA-N 322.452 4.919 30 20 DJED CC(C)(C#N)CCCNc1cc(F)c(OC(C)(C)C)c(F)c1 180928926 HJQWKPURHUQERY-UHFFFAOYSA-N 310.388 4.884 30 20 DJED C[C@@H]1C[C@H](/C(O)=N/C2CCC3(CCCCC3)CC2)CC(O)=N1 329933557 BOAHBWHMVRWDAO-KGLIPLIRSA-N 306.450 4.591 30 20 DJED Cc1cc(N/C(O)=N/C(C)(C)c2nccs2)cc(C)c1Cl 331281027 UUCSHCKMZFSNTB-UHFFFAOYSA-N 323.849 4.675 30 20 DJED N#CCCC[C@@H](NCc1cc2c(F)cccc2[nH]1)c1ccccc1 353916870 RJKJHABCWVUKKP-LJQANCHMSA-N 321.399 4.832 30 20 DJED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2c(ccc3ccccc32)o1 424331766 SMOVSPUCDAFDRG-OFQRWUPVSA-N 304.393 4.929 30 20 DJED CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(C#N)cc1Cl 426142558 ZXTUGGSWUGDNFE-LRDDRELGSA-N 319.836 4.644 30 20 DJED Cc1ccccc1[C@H](CC(F)(F)F)NCc1cc(C#N)cs1 444011214 RRRHNRALJZUWDG-HNNXBMFYSA-N 324.371 4.712 30 20 DJED Cc1cccnc1[C@@H]1CCC[C@H](Nc2cccc(CC#N)c2)C1 449705878 ZKLHKEDQGXCHRK-MJGOQNOKSA-N 305.425 4.594 30 20 DJED Cc1cccc([C@@H](C)NC(=O)C[C@@H](CC#N)c2ccccc2)c1C 476062528 OSZSFZGLLFYMMC-IEBWSBKVSA-N 320.436 4.568 30 20 DJED C[C@@H](Nc1cc(F)ccc1OCC1CC1)c1cccc(C#N)c1 477917724 AGDDYSDFEIVZDL-CYBMUJFWSA-N 310.372 4.659 30 20 DJED C[C@H]1CC(C)(C)N(C(=O)c2cccc(CC#N)c2)c2ccccc21 479303499 BEONFFRCAHDUFD-HNNXBMFYSA-N 318.420 4.685 30 20 DJED CC(C)c1cccc(CNCc2cccc(OCCCC#N)c2)c1 479401807 IBHSYSJQUFZQFT-UHFFFAOYSA-N 322.452 4.782 30 20 DJED C[C@@H](SCc1ccc(F)cc1C#N)c1c(F)cccc1F 483128577 GRPYTHHZRBHURW-SNVBAGLBSA-N 307.340 4.970 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)/C=C/C1CCCC1 493300874 YHVUQPLBDZWQGF-VNDWYCCKSA-N 314.454 4.623 30 20 DJED C=CC[C@H](C(=O)Nc1ccc2[nH]c(C)cc2c1)c1ccccc1 495014565 DEDSOXYAJRLSFU-SFHVURJKSA-N 304.393 4.775 30 20 DJED C[C@H](Nc1ccc(Cl)c(OC(F)F)c1)c1cccc(C#N)c1 507479076 NIWLPCAPZQMVFL-JTQLQIEISA-N 322.742 4.986 30 20 DJED C=CCN(C(=O)c1cnn(C2CCCCC2)c1C)c1ccccc1 510349264 UYZHHKBFUFBUJZ-UHFFFAOYSA-N 323.440 4.530 30 20 DJED N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3CC=CCC3)c2)cc1 517843156 KWOHAANKIAVHPY-MRXNPFEDSA-N 318.376 4.645 30 20 DJED C=CCCC(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 522484644 ZMDAKFKQKOIPPI-HXUWFJFHSA-N 305.377 4.605 30 20 DJED CC(C)c1cnc(SCc2ccc(F)cc2C#N)n1C(C)C 523497415 CIBHEDHVPWAMJK-UHFFFAOYSA-N 317.433 4.890 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Cc1c[nH]c2c(C)cccc12 525478793 YZGSFIHEKNIVSP-UHFFFAOYSA-N 324.468 4.614 30 20 DJED C=CCC[C@H](NCc1coc(-c2ccccc2)n1)c1ccco1 552048087 GTTXVEYKSOHBOS-KRWDZBQOSA-N 308.381 4.732 30 20 DJED CC(C)(C#N)CCN1CCc2ccccc2[C@@H]1c1ccccc1 559368387 HPAOLPAIKPRMSM-FQEVSTJZSA-N 304.437 4.574 30 20 DJED N#CCCC1CCN(Cc2cc(Cl)sc2Cl)CC1 583691221 DUEMHLGYKJSCRL-UHFFFAOYSA-N 303.258 4.571 30 20 DJED CC[C@H]1CCCN1C(=O)Nc1cccc(C#Cc2cccs2)c1 590132499 JNXUZBOABZPKNB-KRWDZBQOSA-N 324.449 4.554 30 20 DJED CSc1ccc(-c2cccc(C3(C#N)CCOCC3)c2)cc1 592985297 KXSPKSCQDCCNQB-UHFFFAOYSA-N 309.434 4.647 30 20 DJED CCCN(CC)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209514 ANQOBXVKCBTSIT-UHFFFAOYSA-N 323.396 4.614 30 20 DJED COc1cccc2cc([C@H](C)N[C@H](C)c3cccc(C#N)c3)oc12 611438530 MQRJCSFYLZIYCZ-KGLIPLIRSA-N 320.392 4.725 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C)c(C)c1 615464814 JQLIHPZCJFFXNS-UHFFFAOYSA-N 312.388 4.663 30 20 DJED CC(C)(C#N)CCCCN1CCC(c2ccc(F)c(F)c2)CC1 618279954 JIXQNERYLUJSFK-UHFFFAOYSA-N 320.427 4.864 30 20 DJED Cc1c(N[C@@H]2CCCc3cc(C#N)ccc32)cnn1C1CCCC1 618579280 HNHXPAPPIGTSQY-LJQANCHMSA-N 320.440 4.668 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2NCc1cc2ccccc2s1 618741193 DFFHGRPYLQWWFV-SFHVURJKSA-N 304.418 4.550 30 20 DJED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1Oc1ccccc1 619672628 MADBZZWOLAUKHZ-ULQDDVLXSA-N 306.409 4.822 30 20 DJED C=C(Cl)CN(C)CCCCCc1cc(-c2ccccc2)no1 726071859 LCSMADGBMSMVSD-UHFFFAOYSA-N 318.848 4.739 30 20 DJED C[C@H](NN=Cc1ccc(OC(F)F)c(Cl)c1)c1ccccc1 731486916 ZJNYRTJNHVTGIH-NSHDSACASA-N 324.758 4.626 30 20 DJED c1ccc(C[C@H]2CCCC2=NNc2ncnc3sccc23)cc1 735611742 CFFKNULXPLGBOG-CQSZACIVSA-N 322.437 4.502 30 20 DJED CCCCCCCC(=O)N1C[C@@H](c2ccccc2C)OC[C@@H]1C 741990572 PKOOACQPAJJIHU-HKUYNNGSSA-N 317.473 4.644 30 20 DJED CCC[C@@H](C)CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 749054819 NUPOQLHJVJUPOU-ZYHUDNBSSA-N 320.845 4.952 30 20 DJED Cc1cc2cc(C(=O)/C=C\c3cccc4nccn34)oc2cc1C 769610077 NUULCNCEMZBDMX-SREVYHEPSA-N 316.360 4.593 30 20 DJED Cc1ccc2c(C)cc(NN=C3CCC34CCOCC4)nc2c1C 799872891 FFCMUVYVIOYYMY-UHFFFAOYSA-N 323.440 4.519 30 20 DJED C=CCCCCCCNC(=O)[C@H](C)Cc1cncc2ccccc12 805222183 UADLLDAQZZKESZ-QGZVFWFLSA-N 324.468 4.666 30 20 DJED COc1ccc(/C=C/C(=O)c2cc3ccccc3o2)c(C)c1OC 806570252 URBPGHUKEPIYJD-CSKARUKUSA-N 322.360 4.655 30 20 DJED CCOc1cccc(/C=C/C(=O)c2c(F)cccc2Cl)c1 809158727 CRCMVBKDCOPCSG-MDZDMXLPSA-N 304.748 4.774 30 20 DJED CCCCCCCCNC(=O)N1CC(C)(C)[C@@H]1c1cccnc1 813695407 UETFNDNDKGGKLW-KRWDZBQOSA-N 317.477 4.535 30 20 DJED Cc1cc(Cl)ccc1/C=C/C(=O)c1cc([N+](=O)[O-])ccc1F 814190046 ASPVFNLZIYDOIU-XVNBXDOJSA-N 319.719 4.592 30 20 DJED C=CCC(F)(F)C(=O)Nc1cccc(CSC(C)C)c1C 815695331 BOEKTSHJRTXNQP-UHFFFAOYSA-N 313.413 4.787 30 20 DJED CC[C@@H](C#N)Oc1cccc(CNCc2ccccc2C(C)C)c1 848536070 KBLWJXGWKOGJON-IBGZPJMESA-N 322.452 4.781 30 20 DJED CCCCCCCC(=O)N[C@H](C)c1cccc(OC(F)F)c1 915628435 BAZWNYIZYMFFNF-CYBMUJFWSA-N 313.388 4.826 30 20 DJED O=C(/C=C\c1ccc2c(c1)CCO2)c1ccc(Cl)c(Cl)c1 917517307 NOGRSOHCASGZIG-KTAJNNJTSA-N 319.187 4.824 30 20 DJED C=CCCOC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 919667977 PWWXINSGCKJQBY-QINSGFPZSA-N 302.370 4.547 30 20 DJED Cc1ccc(C=NOCc2csc(-c3cccs3)n2)cc1 920399272 PBYWNRGORQDTEX-UHFFFAOYSA-N 314.435 4.731 30 20 DJED Oc1ccccc1C=Nc1ccc(-c2nc3ccccc3[nH]2)cc1 920945731 BRJNPDFBMUALFN-UHFFFAOYSA-N 313.360 4.686 30 20 DJED N#Cc1sccc1C(=O)Nc1ccc(Oc2ccccc2)cc1 1124319998 ZAJOGUZGRNBEEZ-UHFFFAOYSA-N 320.373 4.664 30 20 DJED Cc1ccccc1-c1nsc(N[C@@H](C)c2ccc(C#N)cc2)n1 1185045936 BORXKYZUKLYERX-ZDUSSCGKSA-N 320.421 4.558 30 20 DJED N#Cc1ccc(CN[C@@H]2CC[C@H](Cc3ccccc3)C2)cc1Cl 1205506832 IACFUNUXOCTBNI-VQIMIIECSA-N 324.855 4.713 30 20 DJED CSCc1ccc(Nc2nc(C)c(C#N)cc2Cl)cc1 1306956082 HPUQKIDIFHDFKB-UHFFFAOYSA-N 303.818 4.522 30 20 DJED Cc1cc(C)c2c(c1)[C@H](Nc1ccc(OCC#N)cc1)CCCO2 1323503963 ALIAHBHEQLJIPC-LJQANCHMSA-N 322.408 4.532 30 20 DJED CC[C@H](CC1CCCC1)C(=O)Nc1ccc(Cl)c(C#N)c1 1352798960 PYAWWGFJPHJFAB-CYBMUJFWSA-N 304.821 4.757 30 20 DJED CC(C)c1cccc(N(C)C(=O)[C@H](C)Cc2ccc(C#N)cc2)c1 1357401199 PUBVUDJSFMBQGX-MRXNPFEDSA-N 320.436 4.523 30 20 DJED Cc1ccc([C@@H]2CCC[C@@H]2OC(=O)c2ccc(C)c(C#N)c2)cc1 1435982796 KBNGBAOJXYFNOF-PMACEKPBSA-N 319.404 4.668 30 20 DJED C[C@@H]1CC(C)(C)CC[C@@H]1Nc1c(Br)cccc1C#N 1458227425 DQDJYLGAUFEALK-RISCZKNCSA-N 321.262 4.947 30 20 DJED N#Cc1nnc2ccccc2c1NC(C1CCCC1)C1CCCC1 1472884372 ZNWPXSRMCPJLBY-UHFFFAOYSA-N 320.440 4.662 30 20 DJED CCCC[C@H](C)N(CCCC)C(=O)c1ccc(C#N)cc1F 1523005127 CUZWYQOWNWTEBJ-AWEZNQCLSA-N 304.409 4.518 30 20 DJED C[C@@H]1CCC[C@H]1CC(=O)Nc1cc(C(C)(C)C)sc1C#N 1527552801 WJHKVOSPYFDFQQ-NEPJUHHUSA-N 304.459 4.682 30 20 DJED Cc1ccc(C(=O)N2Cc3ccccc3-c3ccccc32)cc1C#N 1537770684 UBEHPYRXJJAELI-UHFFFAOYSA-N 324.383 4.694 30 20 DJED N#Cc1ccc(N(C(=O)CCCC2CCCC2)C2CCC2)cc1 1540128345 PQIZDFNFGQJRBQ-UHFFFAOYSA-N 310.441 4.804 30 20 DJED CC[C@H](OC(=O)c1sccc1C#N)c1c(F)cccc1Cl 1544545290 FCSIBZYFONLAMR-LBPRGKRZSA-N 323.776 4.720 30 20 DJED CC[C@@H]1CCCC[C@H]1CNC(=O)Nc1ccc(C#N)cc1Cl 1623230174 FZRGRUIPMXHKRF-KGLIPLIRSA-N 319.836 4.550 30 20 DJED CC[C@H]1c2ccccc2CCN1c1nc(C(C)(C)C)ccc1C#N 1642274070 DTJCUYADPSZOHD-SFHVURJKSA-N 319.452 4.765 30 20 DJED N#Cc1ccc(SCCc2cccc(Cl)c2Cl)nc1 1652597710 GMEYZPCPSANRRQ-UHFFFAOYSA-N 309.221 4.595 30 20 DJED CCC[C@H](CC)Nc1cc(C)c(C#N)c2nc3ccccc3n12 1655066813 YBMMAYYZJPBSKZ-AWEZNQCLSA-N 306.413 4.658 30 20 DJED N#C[C@@H](c1ccccc1)N1CCc2c(Cl)cc(Cl)cc2C1 1657814207 REQSJEPNMQMWAM-KRWDZBQOSA-N 317.219 4.616 30 20 DJED Cc1ccc(C)c(NC(=O)Nc2cc(C#N)ccc2OC(C)C)c1 1666389427 GRRMLQFBRFTESV-UHFFFAOYSA-N 323.396 4.606 30 20 DJED COc1cc(Cl)c(C)cc1N[C@H](C)c1cccc(C#N)c1 37196099 DWNAFPPRZQPLOZ-GFCCVEGCSA-N 300.789 4.702 30 20 DJED CC[C@@H](C)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 105039613 QREUSKCOXMGZQP-CQSZACIVSA-N 323.396 4.613 30 20 DJED CCc1cccc2c(/C=C/C(=O)c3ccc(C#N)s3)c[nH]c12 134507032 IEBRKVMLJYXBGZ-SOFGYWHQSA-N 306.390 4.560 30 20 DJED N#Cc1ccc(CNCc2ccccc2Sc2ccccc2)o1 174369449 DFKMOCYPBVCWTK-UHFFFAOYSA-N 320.417 4.592 30 20 DJED CCCCCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)C(C)C 174906451 HXIPDTSVVFSEIJ-UHFFFAOYSA-N 315.461 4.920 30 20 DJED CCSc1cccc(N[C@@H](C)c2ccc(OCC#N)cc2)c1 179880884 KHPDPSZPFBJHSL-AWEZNQCLSA-N 312.438 4.874 30 20 DJED C[C@@H](SCc1ccc(C#N)cc1F)c1nc2ccccc2o1 183456928 GELSVZARTKCUHN-LLVKDONJSA-N 312.369 4.833 30 20 DJED O=C(/C=C\c1ccccc1OCc1ccccc1)c1ccncc1 218399447 FAGSRVOUGMCPSM-KHPPLWFESA-N 315.372 4.557 30 20 DJED CCN(CCC#N)C(=O)Nc1ccc(C(C)C)cc1C(C)C 267479292 XPLUYVLBBYTUQY-UHFFFAOYSA-N 301.434 4.701 30 20 DJED N#CCC[C@H](Nc1ccnc(C(F)(F)F)c1)c1ccccc1 286298437 SKSZCUVXHUMXKL-AWEZNQCLSA-N 305.303 4.557 30 20 DJED CC(=O)c1ccc(C#N)c(NCc2ccc3ccccc3c2)c1 302126448 WNAGQIILZNAQIZ-UHFFFAOYSA-N 300.361 4.526 30 20 DJED N#CCCCC(=O)N[C@H](CCCc1ccccc1)c1ccccc1 359848782 NOMMMNLKHQVQBI-HXUWFJFHSA-N 320.436 4.561 30 20 DJED CC(C)(CC#N)CN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 414166793 OEUWGHDNTLJCIX-OAHLLOKOSA-N 310.363 4.686 30 20 DJED CSc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)s1 418145246 MTCDMRUODIGXGL-INIZCTEOSA-N 314.479 4.509 30 20 DJED N#CC1(CCN[C@@H](CC(F)F)c2ccccc2)CCCCC1 420988743 AVBFPILBBCRQHX-INIZCTEOSA-N 306.400 4.837 30 20 DJED CCS[C@@H]1CCCC[C@@H]1NCc1ccccc1C(C)(C)C#N 429675274 XBQXSKNJGMZGFP-ZWKOTPCHSA-N 316.514 4.642 30 20 DJED C=C(C)C[C@@H](C)C(=O)Nc1cccc(-c2nc(C)cs2)c1 464449298 JZBAEEIKFCWGOQ-GFCCVEGCSA-N 300.427 4.659 30 20 DJED C=CC[C@H](CC)NC(=O)N1CCC[C@@H]1c1ccccc1Cl 466367657 XTDOASSVOJLNAK-XJKSGUPXSA-N 306.837 4.541 30 20 DJED CCC[C@H](C)[C@H]1CCCN1C(=O)C[C@@H](CC#N)c1ccccc1 476376987 SBNLKCWGIXCDCB-QXAKKESOSA-N 312.457 4.501 30 20 DJED C[C@@H](Sc1ccc(C#N)cn1)c1ccc(C(F)(F)F)cc1 476585533 XKVGOUDUIFUFES-SNVBAGLBSA-N 308.328 4.825 30 20 DJED CSc1cccc(C)c1NC(=O)c1ccc(C(C)(C)C#N)cc1 476734195 UNFLZXBIOSJIEU-UHFFFAOYSA-N 324.449 4.770 30 20 DJED N#Cc1cc(Cl)ccc1CSCc1ncc(Cl)s1 478921265 INFDYRUMJMZHAN-UHFFFAOYSA-N 315.250 4.755 30 20 DJED N#C[C@@H](NC(=O)C1=CCCCCC1)c1ccc(Cl)c(Cl)c1 481896054 RVTNQBMNFKVOKV-OAHLLOKOSA-N 323.223 4.565 30 20 DJED C=CCCC1(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)CC1 483216513 BBTABKZCHNYESZ-UHFFFAOYSA-N 303.833 4.577 30 20 DJED C=CC[C@@H](C(=O)Nc1sc(C)c(CC)c1C#N)c1ccccc1 488339606 OEGICSYPZOQHNE-MRXNPFEDSA-N 324.449 4.789 30 20 DJED C=C(C)CCN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 508992015 UBGZMEALHZWIPE-GOSISDBHSA-N 300.833 4.575 30 20 DJED CC(C)(C#N)c1ccccc1CNC1(C(F)F)CCCCC1 510094203 RLTVFMCCKHUQRL-UHFFFAOYSA-N 306.400 4.545 30 20 DJED C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@H]2CCCC[C@@H]21 527521587 UWEFRYPFUHRTSR-LZQZEXGQSA-N 324.468 4.529 30 20 DJED Cn1c(C(C)(C)C)nc2cc(NCC(C)(C)CCC#N)ccc21 535541503 DRUXYAGOAIDFQA-UHFFFAOYSA-N 312.461 4.613 30 20 DJED C=CCOc1ccc(CN[C@@H](C)c2csc(Cl)c2)cc1 556914673 AUFTUOMCVLEBLX-LBPRGKRZSA-N 307.846 4.817 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc2ccccc2c1 561138621 SKMZHBWHPWIZCL-JOCHJYFZSA-N 312.416 4.879 30 20 DJED CC[C@@H](C)Sc1ccc(NC(=O)C2(C#N)CC(C)C2)c(C)c1 567591211 OYPNDSOCIWDVHH-HZEYSBKDSA-N 316.470 4.764 30 20 DJED COc1ccc(C#N)cc1CNc1ccc(-c2ccco2)cc1F 579219259 KGBVUCBYQDSHGJ-UHFFFAOYSA-N 322.339 4.578 30 20 DJED Cc1cccc([C@H]2CCCN2c2nccc(C#N)c2Cl)c1C 582427872 GAXWIBMPWPHVER-MRXNPFEDSA-N 311.816 4.565 30 20 DJED CC[C@@H](NCc1cc2cc(C)ccc2o1)c1ccc(C#N)cc1 584481098 AKOVWUYGYKEZNZ-LJQANCHMSA-N 304.393 4.854 30 20 DJED N#CCCCCCC(=O)N1CCC[C@H]1CCC1CCCCC1 588652311 KQARBVGDBQHFRS-SFHVURJKSA-N 304.478 4.812 30 20 DJED C[C@H](CCC#N)CNc1ccc(COCc2ccccc2)cc1 602498475 MFTCRWJTAQFVQM-QGZVFWFLSA-N 308.425 4.755 30 20 DJED C[C@H](c1ccccc1Cl)N(Cc1ccc(C#N)cc1)C1CC1 603934193 NWUAGVHCNFHVCR-CQSZACIVSA-N 310.828 4.937 30 20 DJED C=CCOc1ccc(CNc2ccc(F)cc2OC)cc1Cl 604062969 GRHHNLDSPGHAES-UHFFFAOYSA-N 321.779 4.665 30 20 DJED CC[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 619746783 KDFXVXSLOVGCPJ-QGZVFWFLSA-N 302.780 4.592 30 20 DJED C=C(C)[C@@H](N[C@@H]1CCCc2scnc21)c1ccc(F)c(F)c1 623963708 MXXRDVQGQJLJIZ-GDBMZVCRSA-N 320.408 4.706 30 20 DJED N#Cc1ccc(Nc2ccc(C3CC3)cc2)cc1Br 709697278 PMIULJMJKWNMPJ-UHFFFAOYSA-N 313.198 4.942 30 20 DJED CC(C)[C@@H](C)N1Cc2cccc(N=Cc3ccccc3O)c2C1 727685516 PVMFSGSOOGIQBD-OAHLLOKOSA-N 308.425 4.503 30 20 DJED C[C@@H](CC#N)N(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O 728902784 XEAPTUXRNRGPOG-AWEZNQCLSA-N 316.489 4.721 30 20 DJED CC[C@H](C)Oc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OC 749453688 UTUBZMZGDKUSDA-MPMPPSQCSA-N 322.404 4.695 30 20 DJED COCCOc1ccc(C(=O)/C=C/C(C)=C\c2ccccc2)cc1 750913156 KTRXYSUQJLADOB-NINYVLCNSA-N 322.404 4.554 30 20 DJED C=C[C@@H](CC(=O)OCc1cccc2cccnc12)c1ccccc1 758919875 KATHGTSPZLOFAU-INIZCTEOSA-N 317.388 4.638 30 20 DJED O=C1/C(=C\c2ccc(Cl)nc2Cl)CCc2sccc21 761475806 GAPFCUMCHQCFDE-FPLPWBNLSA-N 310.205 4.662 30 20 DJED N#CC1(OC(=O)c2cc(-c3ccccc3)ccc2Cl)CCC1 762093342 BIUYPXUGDIYCLV-UHFFFAOYSA-N 311.768 4.610 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 785518755 TYSMYHIJBUQCBZ-PZJWPPBQSA-N 318.420 4.883 30 20 DJED O=C(/C=C\c1ccc(-c2ccccc2Cl)o1)c1cncs1 787171779 PQQAJYXATPWCQU-ALCCZGGFSA-N 315.781 4.953 30 20 DJED CCc1nc(C)c(C(C)=NNc2ccc(Cl)c(OC)c2)s1 788471803 HTXTYOYTDCGRRM-UHFFFAOYSA-N 323.849 4.512 30 20 DJED N#CCCSc1ccccc1NC(=S)Nc1ccsc1 790323070 VDSNEBWZDDJASE-UHFFFAOYSA-N 319.480 4.563 30 20 DJED N#CCCCCCC(=O)OCc1nc(C2CCCCC2)cs1 805695269 OIROMZIIKHHCAG-UHFFFAOYSA-N 320.458 4.708 30 20 DJED N#Cc1c(Cl)nsc1N[C@H]1C[C@H](c2ccccc2Cl)C1 814956355 SXHGIVYODPKLAB-KYZUINATSA-N 324.236 4.680 30 20 DJED COc1ccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)c(Cl)c1 818333408 VUFDLTLIQOEVQH-QWHCGFSZSA-N 314.816 4.632 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCC1(C)CC1 932392384 IJMZHDANIOXIEB-ZDUSSCGKSA-N 302.443 4.600 30 20 DJED CCCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)C)C2 1129398913 XCQFLPQOACDTHX-LBPRGKRZSA-N 304.459 4.509 30 20 DJED CCCCc1nc(COc2ccc(C#N)c(Cl)c2)cs1 1166012561 JWANZIKWKHXAJV-UHFFFAOYSA-N 306.818 4.590 30 20 DJED CCN(Cc1nsc2ccccc12)[C@H](C)c1ccc(C#N)cc1 1190475695 LFZCHFBDBYNEHU-CQSZACIVSA-N 321.449 4.751 30 20 DJED N#CC1(Cc2nnc(-c3ccc4ccccc4c3)o2)CCCCC1 1256022074 FZXGXBOHTWPOOX-UHFFFAOYSA-N 317.392 4.906 30 20 DJED Cc1cc2cc(CNc3ccc(OCC#N)cc3)oc2cc1C 1337058120 UZGVTYHIESEQCT-UHFFFAOYSA-N 306.365 4.564 30 20 DJED Cc1cc(C#N)ccc1Oc1ccc(-c2nnc(C(C)C)o2)cc1 1346600640 CSDUIZJICQORQG-UHFFFAOYSA-N 319.364 4.832 30 20 DJED CCC(C)(C)C1CCC(NC(=O)CC2(C#N)CCCCC2)CC1 1355109486 XDAACUBYDDKLBC-UHFFFAOYSA-N 318.505 4.962 30 20 DJED COc1ccc(C#N)cc1CN1C[C@@H](C(C)(C)C)c2ccccc21 1460029961 OOCPHMZOYQJYFM-GOSISDBHSA-N 320.436 4.717 30 20 DJED C[C@@H]1CCCC[C@H]1C(=O)Nc1scc(C(C)(C)C)c1C#N 1460578144 ABKUOXFEKHEQDG-VXGBXAGGSA-N 304.459 4.682 30 20 DJED N#Cc1nc(N2CCC[C@@H]2CCC2CCCCC2)ccc1Cl 1472729378 LBAILTNZCWRZMR-OAHLLOKOSA-N 317.864 4.936 30 20 DJED Cc1cc(C#N)cc(N[C@H](CCc2ccccc2)C(F)F)c1 1474578315 SUBULCBFXKTXEL-QGZVFWFLSA-N 300.352 4.545 30 20 DJED N#Cc1ccc(Nc2ccc(Oc3ccccc3Cl)cc2)nn1 1559058541 VGZRSZDAHWYBPG-UHFFFAOYSA-N 322.755 4.538 30 20 DJED N#Cc1ccc(N(C(=O)c2cc3ccccc3o2)C2CCC2)cc1 1588017819 VYYRCXVSCXFZPR-UHFFFAOYSA-N 316.360 4.504 30 20 DJED CC[C@H](CN(CC)c1ccc(Cl)c(C#N)n1)c1ccccc1 1639812791 HIJJWRIRGMTCDA-CQSZACIVSA-N 313.832 4.627 30 20 DJED Cc1cc(S[C@H](C)C(=O)C2(c3ccccc3)CC2)ccc1C#N 1641226154 OFWWSWXOXDKAOV-OAHLLOKOSA-N 321.445 4.648 30 20 DJED N#CCc1ccc(CSc2nc3cc(F)ccc3s2)cc1 1641410260 NMZPZSSIYOVUKH-UHFFFAOYSA-N 314.410 4.794 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1N1CCC2(CCC2)CC1 1642668560 WXRFWHPUXPNKCO-UHFFFAOYSA-N 311.816 4.530 30 20 DJED CC(C)(C)c1ccc(C#N)c(OCc2ccccc2C2CC2)n1 1644025042 FRWGAZOWASSROO-UHFFFAOYSA-N 306.409 4.707 30 20 DJED N#Cc1ccc(CN[C@H]2CCC[C@@H]2Cc2ccccc2)cc1Cl 1657885726 BHLSNHKTUQFSMG-XLIONFOSSA-N 324.855 4.713 30 20 DJED CC1(C)C[C@@H](c2ccccc2)N(C(=O)Nc2ccc(C#N)cc2)C1 1666343759 ZEBQNENZGZHZAO-SFHVURJKSA-N 319.408 4.563 30 20 DJED CCc1sc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1C 47376476 BUZKSICVELCDRB-CQSZACIVSA-N 320.417 4.657 30 20 DJED N#Cc1cccc(CN[C@@H](c2ccc(F)cc2)C2CCCC2)c1 62422129 CCVMGDOFOGKNPW-HXUWFJFHSA-N 308.400 4.718 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCC(C)(C)C 78118813 YIAFFIHXSKRUMK-ZDUSSCGKSA-N 304.459 4.846 30 20 DJED C[C@H](NCc1cc(C#N)ccc1F)c1cccc(Cl)c1Cl 90117715 GWOPZHQAJFLIDU-JTQLQIEISA-N 323.198 4.855 30 20 DJED Cc1ncccc1/C=C/C(=O)c1ccc(SC(F)F)cc1 116609454 KAJANZIVQCJASC-RMKNXTFCSA-N 305.349 4.601 30 20 DJED Cc1ccc(Oc2ccc(NC(=O)NCCCCC#N)cc2)cc1 171360914 TVKPWQKCBQYCEM-UHFFFAOYSA-N 323.396 4.603 30 20 DJED Cc1ccccc1[C@H](N[C@H](C)c1ccc(OCC#N)cc1)C(C)C 181741760 WQKCIAZWWCFRQE-DYESRHJHSA-N 322.452 4.945 30 20 DJED N#CCC[C@H](NCc1cccc2ccccc12)c1ccccc1 181937984 MWHUCHGJXVQCJK-NRFANRHFSA-N 300.405 4.974 30 20 DJED COc1ccc2oc(/C=C/C(=O)c3cccc(F)c3F)cc2c1 182724875 DGBMSABGEGXGTP-FNORWQNLSA-N 314.287 4.616 30 20 DJED COc1ccc(/C=C\C(=O)c2oc3ccccc3c2C)cc1OC 205512100 CZWGCDOAOBVLNR-NTMALXAHSA-N 322.360 4.655 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(C)cc2)c(Cl)c1OC 218362615 BQSVLBRNXIRBRW-NTMALXAHSA-N 316.784 4.562 30 20 DJED Cc1ccc(C(=O)/C=C\c2cccc(OCCCC#N)c2)cc1 255074333 YPOMQNKWVQBGIC-XFXZXTDPSA-N 305.377 4.574 30 20 DJED C[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(C#N)cc1 301159252 DCHUICWCIMZIMR-LLVKDONJSA-N 315.298 4.622 30 20 DJED CCCn1c(-c2c(F)cccc2Cl)nc2cc(C#N)ccc21 315947864 UNZKGOQJWOYZPN-UHFFFAOYSA-N 313.763 4.777 30 20 DJED C[C@@H]1CC(C/N=C(/O)CCc2cc3ccccc3o2)C[C@@H](C)O1 328941101 SURDLMGVDSXNIF-ZIAGYGMSSA-N 315.413 4.526 30 20 DJED O=C1CCC(/C(O)=N/C2c3ccccc3Oc3ccccc32)CC1 329847167 MOXDWYGCNOTNTA-UHFFFAOYSA-N 321.376 4.598 30 20 DJED N#CCC[C@@H](NC(=O)c1cccc(C2CCC2)c1)c1ccccc1 336976885 XSLYUUFOGLSHHE-HXUWFJFHSA-N 318.420 4.729 30 20 DJED C=CC[C@@H](C)N[C@H]1CCSc2ccc(Br)cc21 358036243 KZHQZSJEDRHUAW-MFKMUULPSA-N 312.276 4.540 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(Cl)cc1Cl 435664739 NQWFEYZRYISYAX-HSMVNMDESA-N 314.256 4.625 30 20 DJED CC[C@@H](NCc1ccc(C#N)cc1Cl)c1ccc(F)cc1F 439432743 VLROEABTCDPAQH-QGZVFWFLSA-N 320.770 4.731 30 20 DJED CC[C@@H](Nc1ccc(N2CCCCC2)cn1)c1ccc(C#N)cc1 447576297 XRAALWHVMYOBMC-LJQANCHMSA-N 320.440 4.507 30 20 DJED N#Cc1ccc(CN[C@@H]2CCCc3c(Cl)cccc32)cc1F 453394052 VRBHPJPTZDARTF-GOSISDBHSA-N 314.791 4.518 30 20 DJED C[C@H](N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1cccc(C#N)c1 479528794 OXOZMKSEDBRYSO-BOUXLOLZSA-N 308.400 4.684 30 20 DJED CCc1oc2ccccc2c1CN(C)Cc1ccc(F)cc1C#N 489543969 BBYNNGGZUOLRDR-UHFFFAOYSA-N 322.383 4.638 30 20 DJED C=CCn1cccc1C(=O)Nc1ccccc1-c1ccccc1 490119916 NFYLGZVHPWEYPB-UHFFFAOYSA-N 302.377 4.593 30 20 DJED CC(C)(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C1CC1 497582903 RPQTVVADTCCWLO-UHFFFAOYSA-N 320.392 4.725 30 20 DJED CCN(C/C(C)=C/c1ccccc1C(F)(F)F)C[C@H](C)C#N 503953582 PLUQUIILAAFPIA-KADHNRKRSA-N 310.363 4.590 30 20 DJED CCOc1ccccc1CSCc1cc(C#N)ccc1F 520663455 HNBAEKPJNNHBQP-UHFFFAOYSA-N 301.386 4.529 30 20 DJED N#CCC1CCN(C(=O)C2(C3CCCCC3)CCCCC2)CC1 527464658 QIYWTZGMWSNBFO-UHFFFAOYSA-N 316.489 4.669 30 20 DJED CC(C)(C)C[C@@H](NCc1cccc(C#N)c1F)c1ccccc1 539256638 FVVDVDMKGHVMCI-GOSISDBHSA-N 310.416 4.964 30 20 DJED Cc1[nH]c2ccc(-c3noc(C4(C#N)CCCCC4)n3)cc2c1C 544308908 ZVOPAEWLOHPICT-UHFFFAOYSA-N 320.396 4.560 30 20 DJED CC(C)(CCC#N)CN[C@@H](c1ccccc1)c1ccc(F)cc1 554065413 XNRXYSBUXQSFLA-IBGZPJMESA-N 310.416 4.835 30 20 DJED Cc1cc(-c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)ccc1F 563914569 BBDMJDPOBYGWQP-UHFFFAOYSA-N 321.355 4.652 30 20 DJED CCC(=O)c1cc(Cl)ccc1OCc1ccc(F)cc1C#N 590654542 QIYZUTIWHQYKCN-UHFFFAOYSA-N 317.747 4.522 30 20 DJED CC(C)(C)C1CCC(CC(=O)N2CCC(CCC#N)CC2)CC1 592819359 ACKVUSJXEQJMCD-UHFFFAOYSA-N 318.505 4.771 30 20 DJED C=CCC1(C(=O)N2C[C@@H](C(F)(F)F)CC[C@@H]2C)CCCCC1 660109081 YGAVBWZQEROWKK-KBPBESRZSA-N 317.395 4.702 30 20 DJED CCN(CCC(F)(F)F)Cc1cc(C(F)(F)F)ccc1F 678222920 YMWQRKPJMRCHBY-UHFFFAOYSA-N 317.248 4.619 30 20 DJED CCc1cccc2c(/C=C3\CCOc4ccccc4C3=O)c[nH]c12 728441594 MPDGZKRLILIRAR-NTCAYCPXSA-N 317.388 4.779 30 20 DJED O=C1/C(=C\c2ccc(Cl)c(F)c2)CCOc2ccccc21 728442218 ZFYGHZRYLUFBBQ-XFXZXTDPSA-N 302.732 4.528 30 20 DJED CCCCCCCCC(=O)NC1(c2ccc(OC)cc2)CC1 731594290 NOJZMQDTHSPZDY-UHFFFAOYSA-N 303.446 4.551 30 20 DJED O=C1/C(=C/c2cccc(F)c2F)CCOc2c(Cl)cccc21 733748581 CTCDBQJLZHCTDV-PKNBQFBNSA-N 320.722 4.667 30 20 DJED CC(C)(C)c1ccc(C(=O)/C=C/c2cnc3ccccn23)cc1 740764174 NDWIMNZVDSKWJH-VAWYXSNFSA-N 304.393 4.528 30 20 DJED COc1ccc(C(=O)/C=C\c2cc3cc(F)ccc3o2)cc1F 741849323 VZMATEJGYVBUQR-PLNGDYQASA-N 314.287 4.616 30 20 DJED O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)COC2 742436098 GBTYFDDEGSSONY-QHHAFSJGSA-N 319.187 4.920 30 20 DJED O=C(/C=C/c1ccc(F)cc1F)c1ccc(-c2ccncc2)cc1 745990095 JNBFYCJZMOUGDW-SOFGYWHQSA-N 321.326 4.923 30 20 DJED Cc1c(C(=O)/C=C\c2ccc(N(C)C)cc2)oc2ccccc12 747139889 QDCGPKGWBKMZLX-RAXLEYEMSA-N 305.377 4.703 30 20 DJED CCCCOc1cc(/C=C\C(=O)c2ccsc2)ccc1OC 749101434 GNMHVDXHHKHTTP-ALCCZGGFSA-N 316.422 4.832 30 20 DJED Cc1oc2ccccc2c1/C=C\C(=O)c1ccc2c(c1)COC2 759085622 VTWWTJUADVNHQG-HJWRWDBZSA-N 304.345 4.668 30 20 DJED CC#CCCCc1nc(C(c2ccccc2)c2ccccc2)no1 767419023 GDEKLXLVMHMVLM-UHFFFAOYSA-N 316.404 4.596 30 20 DJED N#Cc1ccc(SCc2ccc(Cl)c([N+](=O)[O-])c2)c(F)c1 768397284 ZSEZCORTIGATBI-UHFFFAOYSA-N 322.748 4.551 30 20 DJED C=C(C)CN(C)C(=O)c1cc(-c2ccccc2)nc2ccccc12 778122670 KTDWLNUQZDVMHG-UHFFFAOYSA-N 316.404 4.550 30 20 DJED C#CCCCCCC(=O)N(c1ccccc1F)C1CCCC1 779962426 DOGKQGOHXTUAAN-UHFFFAOYSA-N 301.405 4.685 30 20 DJED C/C=C(\CC)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 789620881 LLQCCDRBRWWGEI-PNUWCKODSA-N 304.393 4.637 30 20 DJED CC(C)c1nc(C#N)c(NN=C[C@H](c2ccccc2)C(C)C)o1 794503523 ZNHMINBEIZKOBN-HNNXBMFYSA-N 310.401 4.507 30 20 DJED C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1ccc(F)cc1 795989070 DHROJOMWCOKGLZ-YOEHRIQHSA-N 311.356 4.517 30 20 DJED COc1cc(/C=C\C(=O)c2cc3ccccc3s2)ccc1C#N 799498769 NHFHDUPGCNOABM-CLFYSBASSA-N 319.385 4.678 30 20 DJED Cc1cc(C(=O)/C=C/c2cnc(-c3cccs3)s2)oc1C 799896212 HJIGPVIRQRLEPJ-AATRIKPKSA-N 315.419 4.978 30 20 DJED Cc1cc(C(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)no1 806555717 HRMNKUVSDIMDOQ-DJWKRKHSSA-N 315.678 4.551 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2cscc2C(F)(F)F)s1 811692010 BLXIGUBOXGKODO-HNQUOIGGSA-N 313.325 4.596 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)C1(F)CCCCC1 811895978 FRNCXHMNOADIOX-ZDUSSCGKSA-N 320.433 4.549 30 20 DJED O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CC/C1=C/c1ccccc1F 818470412 NPFYFCUGLTWMTK-CYRKZOTCSA-N 323.323 4.564 30 20 DJED CC1(C#N)CCC(Nc2ccc(OC3CCC3)c(F)c2)CC1 823560240 OWMQYDHLIQCPCX-UHFFFAOYSA-N 302.393 4.641 30 20 DJED CSc1ccc(Cl)c(C(=O)O[C@H](C)CC(C)(C)C#N)c1 851211669 BDGDBQUYODJLHN-SNVBAGLBSA-N 311.834 4.547 30 20 DJED N#CCCCCCC(=O)OCc1c(Cl)oc2ccccc12 856936208 MXTCYXZNCBFNPX-UHFFFAOYSA-N 305.761 4.603 30 20 DJED O=C(/C=C\c1ccc2c(c1)CCO2)c1cccc(C(F)(F)F)c1 917517790 ZEPMHGHEONIAAV-XQRVVYSFSA-N 318.294 4.536 30 20 DJED CCCc1cc(-c2nnc(-c3cccc(C#N)c3)o2)sc1C 1117289326 OAAHKGKNBDBWGD-UHFFFAOYSA-N 309.394 4.598 30 20 DJED Cc1cc(CSc2cc(C#N)ccn2)ccc1N1CCCCC1 1307290338 HNOFVOSMIAWCOC-UHFFFAOYSA-N 323.465 4.544 30 20 DJED N#Cc1ccc(NC(=O)c2ccc3c(c2)oc2ccccc23)cc1 1349961407 OAWNIGWRFGYNKC-UHFFFAOYSA-N 312.328 4.710 30 20 DJED CC[C@@H](CC(C)C)C(=O)Nc1cc(C(C)(C)C)sc1C#N 1358071432 FXLBAXYVCZRRBX-LBPRGKRZSA-N 306.475 4.928 30 20 DJED Cc1ccc([C@H]2CCC[C@H]2OC(=O)c2ccc(C)c(C#N)c2)cc1 1435982799 KBNGBAOJXYFNOF-WOJBJXKFSA-N 319.404 4.668 30 20 DJED C[C@H](C1CCCCC1)N(C)c1ccc(C#N)c(Br)c1 1458338585 LCRJGBXVGFNECR-GFCCVEGCSA-N 321.262 4.726 30 20 DJED Cc1cc(N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)ncc1C#N 1458442830 YKBVITRYWSUUSO-PBHICJAKSA-N 311.816 4.663 30 20 DJED CCN(Cc1ccc(Oc2cccc(F)c2)cc1)C[C@H](C)C#N 1461964818 JZSAEFORNUGWQH-OAHLLOKOSA-N 312.388 4.600 30 20 DJED CCC1(CNC(=O)c2ccc(C(C)(C)C#N)cc2)CCCCC1 1536505456 ADEDOEODHWPLOZ-UHFFFAOYSA-N 312.457 4.578 30 20 DJED N#CC[C@H](C(=O)NC1CCC2(CCCCC2)CC1)c1ccccc1 1538638374 VVLIDVHPRBIJDU-IBGZPJMESA-N 324.468 4.693 30 20 DJED CC[C@@H](C)Oc1cccc(NC(=O)Nc2cc(C)cc(C#N)c2)c1 1562939500 KPLQJMHYEVADFW-CQSZACIVSA-N 323.396 4.688 30 20 DJED COc1ccc(C#N)cc1CSc1ccc(F)c(Cl)c1 1613367731 TYVBSIPLBBKYPQ-UHFFFAOYSA-N 307.777 4.652 30 20 DJED C[C@H](CCN1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccccc1 1621132999 KTTCBYZOLFISME-STZQEDGTSA-N 318.464 4.952 30 20 DJED CCN(Cc1ccc2c(c1)CCC2)[C@@H](C)c1ccc(C#N)cc1 1644388304 CNTIFHDRSGZPMG-INIZCTEOSA-N 304.437 4.630 30 20 DJED Cc1ccnc(N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)c1C#N 1651395419 VVIGNVMHGDGVKO-LJQANCHMSA-N 319.452 4.901 30 20 DJED CSc1ccc(CSc2nc(C)c(C#N)cc2Cl)cc1 1651815370 WXSMCXKPGHGVTP-UHFFFAOYSA-N 320.870 4.929 30 20 DJED Cc1ccc(CN(Cc2ccc(C#N)cc2)CC(C)C)cc1F 1653243021 UQDKACQLCZUNIR-UHFFFAOYSA-N 310.416 4.664 30 20 DJED C[C@@H](CCC(C)(C)C)Nc1nccc(Oc2cccc(C#N)c2)n1 1655154789 SKGYLTSZFWZCCW-AWEZNQCLSA-N 324.428 4.767 30 20 DJED Cc1nc(Sc2ccc(C#N)c(C)c2)c2c(C)csc2n1 1655595968 PAZRRYNNYUTCMG-UHFFFAOYSA-N 311.435 4.639 30 20 DJED Cc1ccc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1Cl 1658899437 QPHNCOXYDLTFPP-UYAOXDASSA-N 324.855 4.920 30 20 DJED Cc1cc(C)c(C(=O)/C=C/c2cc(C(=O)O)c(C)cc2C)cc1C 1776133085 NFOZZGKTYNRSKN-VOTSOKGWSA-N 322.404 4.823 30 20 DJED N#Cc1cc(Cl)ccc1NCc1ccc(Br)cc1 52856902 QDFBKBABEXANNJ-UHFFFAOYSA-N 321.605 4.586 30 20 DJED C[C@@H](C#N)Oc1ccc(/C=C/C(=O)c2ccc(Cl)s2)cc1 57737234 ZNRVFYXTOHBGSU-ZPMKCOPCSA-N 317.797 4.588 30 20 DJED Cc1c(C(=O)Nc2ccccc2C#N)oc2ccc(Cl)cc12 60914160 HGYPBFVAQMKEEM-UHFFFAOYSA-N 310.740 4.519 30 20 DJED CC1(C)Cc2occc2[C@@H](N[C@H](CCC#N)c2ccccc2)C1 90665676 BCNOWEWRQQHDJX-MSOLQXFVSA-N 308.425 4.928 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H](c2ccccc2)C2CC2)n1 162461602 GTAVKYHVEVYJLX-RDJZCZTQSA-N 324.449 4.637 30 20 DJED COc1ccc2oc([C@@H](C)Nc3ccc(C#N)cc3)c(C)c2c1 301194385 NLXDEKDCHHYZTI-CYBMUJFWSA-N 306.365 4.795 30 20 DJED COc1ccc(N=C(O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)cc1O 329491192 VINRQBJHLOKLKI-VHDGCEQUSA-N 303.402 4.595 30 20 DJED Cc1coc2ccc(N/C(O)=N/C3CCC(F)(F)CC3)cc12 330077504 NAUJVOWXGKUHAM-UHFFFAOYSA-N 308.328 4.645 30 20 DJED CCCc1cccc(C(C)C)c1N/C(O)=N/[C@@H]1CCC[C@H]1C#N 330982689 ORSXMPKKYBRWFK-DOTOQJQBSA-N 313.445 4.781 30 20 DJED CCCC[C@H](C)C(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 410074361 LGJAOEXYMZDAEW-CCLIWJKGSA-N 316.489 4.524 30 20 DJED CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1CC#N 410970180 QRFKZTUZEZUQHK-SWLSCSKDSA-N 304.821 4.561 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(F)cc1Cl 418152046 XLXMBMYNJASSJT-SFHVURJKSA-N 314.791 4.518 30 20 DJED CC(C)(CCC#N)CNc1ccc(C(=O)Nc2ccccc2)cc1 419744892 OIXUUHKYIPBREH-UHFFFAOYSA-N 321.424 4.681 30 20 DJED CC1(C)CCCN(Cc2nc(C3CCCCC3)cs2)[C@@H]1C#N 444716278 JCQWBSTUUVUPFC-MRXNPFEDSA-N 317.502 4.705 30 20 DJED C=CC[C@@H]1N(Cc2cnc([C@H]3CCCO3)s2)CCCC1(C)C 446827035 LWQODOZHVGTQDL-CVEARBPZSA-N 320.502 4.561 30 20 DJED Cc1cc(NC(=O)[C@H](C)c2cccc(C#N)c2)cc(C)c1Cl 462541907 JEAWUSDRQFSPEE-CYBMUJFWSA-N 312.800 4.571 30 20 DJED C=CCN1CCC(N[C@H](C)c2cccc(-c3ccccc3)c2)CC1 482632146 UHFXIDURUOPQMW-GOSISDBHSA-N 320.480 4.655 30 20 DJED C=C(C)CN(CC)C(=O)[C@@H](C)S[C@H](CC)c1ccccc1 507750080 MJJOGJDYYBCUQY-NVXWUHKLSA-N 305.487 4.684 30 20 DJED CC(C)C[C@H](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N 521729063 FBXZOQGIBHLYFV-LSDHHAIUSA-N 318.486 4.949 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1ccc2nc(C(C)C)sc2c1 522654009 DZXZKQPFWXDKCS-LLVKDONJSA-N 303.431 4.506 30 20 DJED CN(c1ccccc1NCc1cccc(C#N)c1)C1CCCC1 531629549 SKAVRGOLBAFKEC-UHFFFAOYSA-N 305.425 4.549 30 20 DJED CCC(=O)c1cc(Cl)ccc1OCc1cccc(C#N)c1F 537047420 LGXJLCPEPKJPNG-UHFFFAOYSA-N 317.747 4.522 30 20 DJED N#Cc1ccc(N2CCCn3c(cc4ccccc43)C2)cc1Cl 570845525 DHXQQLRWPQBFHP-UHFFFAOYSA-N 321.811 4.577 30 20 DJED CC(=NNc1ccc(F)cn1)c1cc(F)c(Cl)cc1Cl 731320115 VNCVCYGNKSOROF-UHFFFAOYSA-N 316.138 4.503 30 20 DJED C#CCCOc1ccc(CN[C@H](c2ccccc2C)C2CC2)cc1 733326573 MJQSKTKLIWUILH-QFIPXVFZSA-N 319.448 4.638 30 20 DJED N#CCC1(COC(=O)CC2CCC(c3ccccc3)CC2)CC1 744276011 HAYNVTFHDVABCO-UHFFFAOYSA-N 311.425 4.588 30 20 DJED C=CCCCC(=O)Nc1cc2oc3ccccc3c2cc1OC 748516455 SIHNSECQQGRKAX-UHFFFAOYSA-N 309.365 4.889 30 20 DJED CC(C)c1cccc2c1OC/C(=C/c1cccnc1Cl)C2=O 753900107 ITJPVIZBKXDVAJ-LCYFTJDESA-N 313.784 4.517 30 20 DJED Cc1ccc2cc(C(=O)/C=C\c3cnc4c(C)cccn34)oc2c1 754830658 ULVVTPAHVZGDOV-FPLPWBNLSA-N 316.360 4.593 30 20 DJED O=C(/C=C\c1ccc(O)c(F)c1)c1ccc(Cl)cc1Cl 755570618 MAKDJCIQJLKPKT-KTAJNNJTSA-N 311.139 4.734 30 20 DJED CCCCCCCCC/C=C/C(=O)NC1(C#N)CCSCC1 756027095 CDSIFRPBWARKSQ-ZHACJKMWSA-N 322.518 4.589 30 20 DJED O=C(/C=C\c1ccccc1OCc1ccccc1)c1cscn1 769259491 HUXQBGQWYUGPLN-KHPPLWFESA-N 321.401 4.618 30 20 DJED CC(C)[C@@H](Cc1ccccc1)N[C@H](C)c1ccc(OCC#N)cc1 779030284 QNUPQQRVXXUBPM-DYESRHJHSA-N 322.452 4.507 30 20 DJED Cc1ccc(CNc2ccc(OCc3cccc(C#N)c3)cc2)o1 779594680 OKXNLSXQTQVZCG-UHFFFAOYSA-N 318.376 4.651 30 20 DJED O=C(/C=C\c1sccc1Cl)c1c(Cl)nc2ccccn12 782342185 ONGQOFJGJXSUSH-PLNGDYQASA-N 323.204 4.599 30 20 DJED CC(C)c1cccc(C(C)C)c1NC(=S)NCCCC#N 783757825 TUHVFOPDNZYGEF-UHFFFAOYSA-N 303.475 4.524 30 20 DJED C#CCC1(C(=O)Nc2ccc(COC(C)C)cc2)CCCCC1 788175884 PFYFZOZYGDIBPI-UHFFFAOYSA-N 313.441 4.524 30 20 DJED N#Cc1ccccc1/C=C/C(=O)Nc1cc(Cl)ccc1Cl 799434835 FTMREXIMKIUZPW-VMPITWQZSA-N 317.175 4.517 30 20 DJED C#C[C@@H](C)NC(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 806337902 JNPCDYJEZSKGSF-CABCVRRESA-N 324.449 4.683 30 20 DJED COc1ccc(C(=O)/C=C/c2csc3ccccc23)c(OC)c1 810193029 OFHFLJKJCGTZTJ-JXMROGBWSA-N 324.401 4.815 30 20 DJED Cc1ccc(/C=C\C(=O)c2ccc(Br)s2)s1 916134237 IQNQURCWMLQKMV-PLNGDYQASA-N 313.241 4.777 30 20 DJED CC(C)C(C)(C)C(=O)Nc1sc2c(c1C#N)CCCCCC2 1125266926 VDPSIBLCZHKCMM-UHFFFAOYSA-N 318.486 4.899 30 20 DJED Cc1cc(NC(=O)c2ccc(C)c(C#N)c2)c2ccccc2c1 1129026724 LYGSRDIZNGLMIZ-UHFFFAOYSA-N 300.361 4.581 30 20 DJED CC[C@@H](C(=O)N(c1ccc(C#N)cc1)C1CCC1)c1ccccc1 1131578831 KHNWTLAFTUADPU-HXUWFJFHSA-N 318.420 4.638 30 20 DJED N#C[C@H]1CCC[C@@H](Nc2ccc(SC(F)(F)F)cc2)C1 1320268454 XQIXSGUHZYQEQO-CMPLNLGQSA-N 300.349 4.793 30 20 DJED N#Cc1ccc2nc(NCc3cccc(C(F)F)c3)ccc2c1 1320495175 CFRPLFXONBVLIR-UHFFFAOYSA-N 309.319 4.656 30 20 DJED C[C@@H](Cc1cccc(Cl)c1)c1nnc(-c2cccc(C#N)c2)o1 1325779970 QZXITMFCJQQRAL-LBPRGKRZSA-N 323.783 4.608 30 20 DJED COc1cc(C(C)=NOC(C)(C)C)ccc1SC(F)F 1341307758 IMTADNVYXFCSDG-UHFFFAOYSA-N 303.374 4.549 30 20 DJED C[C@H]1CCc2c(sc(NC(=O)[C@H](C)C3CCCC3)c2C#N)C1 1351999324 CYSCULRHJNKMCQ-NWDGAFQWSA-N 316.470 4.509 30 20 DJED Cc1nsc(NCCc2ccc(-c3ccccc3)cc2)c1C#N 1472723898 MKJNMDVYMVLGRU-UHFFFAOYSA-N 319.433 4.645 30 20 DJED COC[C@H](SCCC1(C#N)CCCCC1)c1ccccc1 1473094756 FQIZABDOVMDPTN-KRWDZBQOSA-N 303.471 4.971 30 20 DJED CC(C)(C)[C@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)CC1 1474115180 ZMHUPKWOHJCSHI-DLBZAZTESA-N 302.437 4.782 30 20 DJED CCCN(Cc1c(F)cccc1Cl)C(=O)C(C#N)(CC)CC 1524958642 GRRSHONSTUMWSE-UHFFFAOYSA-N 324.827 4.548 30 20 DJED CC(C)[C@@H](C(=O)O[C@@H](C)c1cccc(C#N)c1)c1ccccc1 1525564797 QVDSCUPGVMALMQ-HNAYVOBHSA-N 307.393 4.602 30 20 DJED N#Cc1cc(Cl)ccc1SCc1ncc(Cl)s1 1613584101 IVTHVDDNVZGWNO-UHFFFAOYSA-N 301.223 4.614 30 20 DJED C[C@@H]1CCCC[C@@H]1NCc1ccc(-c2ccccc2C#N)cc1 1617013425 CLAVZRBFFMFEAW-IERDGZPVSA-N 304.437 4.894 30 20 DJED CO[C@@](C)(CNc1ccc(Oc2ccccc2)c(C#N)c1)C1CC1 1621275434 FZAHBFFTPFWSNI-FQEVSTJZSA-N 322.408 4.578 30 20 DJED CC(C)(C)CC(C)(C)NC(=O)Nc1ccc(C#N)c(Cl)c1 1622780672 KQKXLBNAUAWOOB-UHFFFAOYSA-N 307.825 4.548 30 20 DJED CCS[C@H]1CCCC[C@@H]1Nc1nc(C(C)(C)C)ccc1C#N 1639586212 FPMVMPMVQPFVOD-GJZGRUSLSA-N 317.502 4.727 30 20 DJED C[C@@H]1[C@@H](CNc2ccc(C#N)c(Br)c2)CCC[C@H]1C 1639855844 XLQQHTMZTBFHQD-MBNYWOFBSA-N 321.262 4.805 30 20 DJED COc1cccc(CSc2ccc(Cl)cc2C#N)c1C 1651842415 KRZVPJXEMOHMJX-UHFFFAOYSA-N 303.814 4.821 30 20 DJED CCN(Cc1ccc2occc2c1)[C@@H](C)c1ccc(C#N)cc1 1651932570 SARFMBOBIAXEOK-HNNXBMFYSA-N 304.393 4.888 30 20 DJED C=C(Cl)CN1CC=C(c2ccc(Cl)c(Cl)c2)CC1 1653247407 NNNKGFBPNXBADI-UHFFFAOYSA-N 302.632 4.835 30 20 DJED CC(C)N(Cc1cccc(C#N)c1F)c1ccc(Cl)cc1 1653678004 YYFLKQCAPSGTSO-UHFFFAOYSA-N 302.780 4.766 30 20 DJED Cc1ccnc(N[C@H](C)c2sc3ccccc3c2C)c1C#N 1655354473 QOVYYMUQJGBRNQ-CYBMUJFWSA-N 307.422 4.958 30 20 DJED CCC[C@H](C)[C@@H]1CCCN1Cc1cc(Cl)ccc1OCC#N 1657782655 KASKTDZQNJIVCF-YOEHRIQHSA-N 320.864 4.643 30 20 DJED COc1ccc(C#N)cc1NC/C=C\c1cc(C)c(C)cc1C 1662606487 XILDNLJPXORZNL-WAYWQWQTSA-N 306.409 4.617 30 20 DJED CC1(C)CCCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1677860816 SRBADZOTLAADNH-UHFFFAOYSA-N 319.474 4.571 30 20 DJED CC(C)Cc1cccc(C(=O)/C=C\c2csc(C(=O)O)c2)c1 1776341319 UCWJUQUAFJPHPU-SREVYHEPSA-N 314.406 4.541 30 20 DJED Cc1cc(/C=C\C(=O)c2ccc(OC(F)F)cc2)cc(C)c1O 33477558 RTZJMBQTXLHPGI-BAQGIRSFSA-N 318.319 4.507 30 20 DJED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)s1 41536113 JTAKIZJZUNYJFL-ZDUSSCGKSA-N 324.430 4.670 30 20 DJED N#Cc1cc(Cl)ccc1NCc1cccc(Br)c1 52857723 LRWUVLYGCDHXLZ-UHFFFAOYSA-N 321.605 4.586 30 20 DJED CCCCOc1cc(/C=C/C(=O)c2ccc(C)o2)ccc1OC 58452929 LIEJOJRTGKOTCF-VQHVLOKHSA-N 314.381 4.672 30 20 DJED N#CC1(C(=O)Nc2cccc(Oc3ccccc3)c2)CCCCC1 72029701 JUOLSIQTRWSWOZ-UHFFFAOYSA-N 320.392 4.891 30 20 DJED C#CCCCCC(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C 120000480 XKJRERUYHRKHHY-QGZVFWFLSA-N 312.457 4.506 30 20 DJED CC(C)[C@@H](NCc1ccc(C#N)s1)c1ccccc1Cl 176970421 BBNACTVSFUTUJA-MRXNPFEDSA-N 304.846 4.760 30 20 DJED C[C@H](N[C@H]1CCSc2c(F)cccc21)c1cccc(C#N)c1 178178655 LVFJAEGHQGJLHO-SJCJKPOMSA-N 312.413 4.585 30 20 DJED C[C@@H](C#N)Oc1ccccc1NC(=O)CC1CCC(C)(C)CC1 182129729 CYXNSEGMZHJAKX-AWEZNQCLSA-N 314.429 4.522 30 20 DJED CCCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2)c(C)c1 191028892 KFHBHSNKDSRDTA-MRXNPFEDSA-N 308.425 4.506 30 20 DJED Cc1ccccc1[C@H](C)SCCCC1(C#N)CCOCC1 280908034 AABJLYRGYWHHFB-INIZCTEOSA-N 303.471 4.890 30 20 DJED N#Cc1cnc2ccccc2c1N[C@@H]1CCCc2sccc21 301183286 NZPHQWQZYFXIFQ-MRXNPFEDSA-N 305.406 4.657 30 20 DJED C[C@H](Nc1c(F)cc(C#N)cc1F)c1nc(C(C)(C)C)cs1 301209649 VTDNIJCBUIYUOU-VIFPVBQESA-N 321.396 4.764 30 20 DJED CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2)ccc1OC 303308282 OGUSGGILBNLLFV-SOFGYWHQSA-N 310.393 4.607 30 20 DJED C[C@H](Cc1ccc(F)cc1)Nc1cccc(OCCCC#N)c1 323460261 VVLFUZUMHWBRSZ-OAHLLOKOSA-N 312.388 4.551 30 20 DJED N#C[C@@H]1CCC[C@@H]1/N=C(/O)Cc1cc2c(ccc3ccccc32)o1 328734874 KIOPWZXGKASEPR-KSSFIOAISA-N 318.376 4.777 30 20 DJED Cc1cccnc1/C(O)=N/[C@H]1CC2(CCCC2)Oc2ccccc21 330082840 BCBGLQKXIVFHDN-INIZCTEOSA-N 322.408 4.531 30 20 DJED C[C@@H](C(=O)Nc1scc(C(C)(C)C)c1C#N)c1cccs1 410931474 UWWPYZHYALGRRT-SNVBAGLBSA-N 318.467 4.721 30 20 DJED C=CCC[C@@H](C(=O)N1CC2(CCC2)[C@@H]1C1CC1)c1ccccc1 427597716 XOMCPWNCRJRKSD-MOPGFXCFSA-N 309.453 4.528 30 20 DJED N#CCCN(CCc1cccc(Cl)c1Cl)Cc1ccco1 434547572 OFUXTVNNTXKZQG-UHFFFAOYSA-N 323.223 4.545 30 20 DJED COc1ccc2cc([C@H](C)Sc3cc(C#N)ccn3)ccc2c1 439267945 BMYNXFIUVZRFRW-ZDUSSCGKSA-N 320.417 4.968 30 20 DJED Cc1cccc(NC(=O)[C@H](C)S[C@@H](C)c2cccc(C#N)c2)c1 443151854 BVCPDAVBESPORR-GJZGRUSLSA-N 324.449 4.688 30 20 DJED C=C(C)C[C@H](C)C(=O)NC1c2ccccc2Oc2ccccc21 466872045 BNERLKBQXUOMBR-AWEZNQCLSA-N 307.393 4.600 30 20 DJED C=CCOc1cccc(CN[C@@H](C)c2cc3ccccc3o2)c1 466902573 IBLFCHOFHGQPAE-HNNXBMFYSA-N 307.393 4.848 30 20 DJED C=C[C@H](CC(=O)Nc1sc(CCC)nc1C)c1ccccc1 485607309 HNWKGAYFHPLDHU-CQSZACIVSA-N 314.454 4.702 30 20 DJED CCOc1cc(F)ccc1NCc1ccccc1C(C)(C)C#N 486460930 NVAKMVSQZVYWHW-UHFFFAOYSA-N 312.388 4.638 30 20 DJED C=CC[C@H](C(=O)Nc1cccc(N2CCCC2)c1)c1ccccc1 488650180 PMMQMDDMXBCSNY-FQEVSTJZSA-N 320.436 4.585 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1cccc(C(F)(F)F)c1C 488959564 COZNDPQWNMTTTO-LBPRGKRZSA-N 312.335 4.586 30 20 DJED C=C[C@H](CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 533970777 MCRQSNCPRAFNRR-CYBMUJFWSA-N 310.784 4.510 30 20 DJED CC(C)c1cnc(SCc2cccc(C#N)c2F)n1C(C)C 537048570 QCEHIPDIQFQLKU-UHFFFAOYSA-N 317.433 4.890 30 20 DJED COc1ccccc1-c1ccc(CNc2ccc(C#N)cc2)cc1 547325252 VMPJHDRHCUIXKD-UHFFFAOYSA-N 314.388 4.846 30 20 DJED C=CCC[C@@H](N[C@H]1CCOC2(CCCCC2)C1)c1ccco1 576287252 FPEGELYAZVOBGH-DLBZAZTESA-N 303.446 4.758 30 20 DJED CC(C)(C#N)CCCCN1CCC(c2cccc(F)c2F)CC1 577463298 ZANDZSNAUBZTCB-UHFFFAOYSA-N 320.427 4.864 30 20 DJED C=CCOc1cccc(NC(=O)C[C@H](C)c2ccccc2F)c1 588368381 ZKZWWONVEYWRNY-AWEZNQCLSA-N 313.372 4.523 30 20 DJED CC(C)CCC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 603991533 BGHMDLXTJCDZGF-UHFFFAOYSA-N 324.449 4.760 30 20 DJED COc1ccccc1/C=C\C(=O)c1cc(Cl)ccc1Cl 606208028 LCZKSMWWJGWTSM-TWGQIWQCSA-N 307.176 4.898 30 20 DJED Cc1cc([C@H](NCc2ccc(C#N)cc2C)C2CC2)ccc1F 614407453 REFPCXQJLMWJHZ-HXUWFJFHSA-N 308.400 4.555 30 20 DJED N#CC[C@@H](CC(=O)N1CCCCc2sccc21)c1ccccc1 619557723 UFNILZCBUHZHFC-INIZCTEOSA-N 324.449 4.505 30 20 DJED C=C[C@H](CC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C)c1ccccc1 677562606 GFJBEXHPBSBHRX-DBXWQHBBSA-N 319.448 4.751 30 20 DJED Cc1ccc(C)c(C=NNc2ccc(OCC(F)(F)F)cc2)c1 727261524 CAJLUNCDYFFJDS-UHFFFAOYSA-N 322.330 4.691 30 20 DJED FC(F)(F)COc1ccc(NN=C2CCCCCC2)cc1 727261874 JKZCEHOYLWFRBI-UHFFFAOYSA-N 300.324 4.750 30 20 DJED O=C(/C=C/c1c(Cl)cccc1Cl)c1ccc(O)c(F)c1 728438980 SHQQQQDCWCOEPW-FNORWQNLSA-N 311.139 4.734 30 20 DJED CCCCCCOc1ccc(C=NOCc2cccnc2)cc1 746586500 ZVTJNNRUUHMJRP-UHFFFAOYSA-N 312.413 4.591 30 20 DJED O=C(/C=C/c1ccc(O)c(F)c1)c1cccc(Cl)c1Cl 755592470 IFWWFKLFGWBWPE-GQCTYLIASA-N 311.139 4.734 30 20 DJED COc1ccc2cc(/C=C/C(=O)c3ccc(Cl)nc3)ccc2c1 759081901 CETMXKFLUSXBFA-FPYGCLRLSA-N 323.779 4.793 30 20 DJED CC(=NOCc1ccn(C2CCCC2)n1)c1cc2ccccc2o1 763172753 YHCKHFOMCQCXCF-UHFFFAOYSA-N 323.396 4.685 30 20 DJED O=C(/C=C/c1ccsc1)c1ccc(Br)c(F)c1 767738213 XEVLGERKOQCHBW-DAFODLJHSA-N 311.175 4.546 30 20 DJED C=C(CC)CSCC(=O)Nc1ccc(SC(F)F)cc1 773289559 HDEYVMILVUNDFV-UHFFFAOYSA-N 317.426 4.639 30 20 DJED COc1ccc(/C=C/C(=O)c2cc3ccccc3s2)cc1OC 780188027 FVEVURRIWFXZDT-VQHVLOKHSA-N 324.401 4.815 30 20 DJED O=C(/C=C/c1scnc1C1CC1)c1ccc2ccccc2c1O 782342237 PMQCPKSKAFJXEV-MDZDMXLPSA-N 321.401 4.775 30 20 DJED CC(C)C(CCc1ccc(Cl)cc1)=NNCCC(F)(F)F 794546931 XIPVXVMFTXCZMO-UHFFFAOYSA-N 320.786 4.827 30 20 DJED CC(C)n1nccc1/C=C\C(=O)c1cc(Cl)ccc1Cl 794925999 GXSWWGZPOAFJJW-XQRVVYSFSA-N 309.196 4.667 30 20 DJED Clc1ccc([C@@H]2CCCCCC2=NOC2CCOCC2)cc1 794931405 VGESLZFLSSXVFO-KRWDZBQOSA-N 321.848 4.939 30 20 DJED C=C(C)CNC(=S)Nc1cc(-c2ccccc2)ccc1Cl 795003701 VRZPOSSXNXJYAX-UHFFFAOYSA-N 316.857 4.870 30 20 DJED C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1cccc(F)c1 795984406 XSWVJDAIGGYQSW-YOEHRIQHSA-N 311.356 4.517 30 20 DJED C=CCC(C)(C)C(=O)OCc1csc(-c2ccccc2F)n1 796463670 WWVQWSOAJBIQAC-UHFFFAOYSA-N 319.401 4.595 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2cscc2C(F)(F)F)cc1 811685515 VCVJDVLPNFIWSL-AATRIKPKSA-N 307.296 4.535 30 20 DJED CC(=NNc1ccc(F)cc1)c1sc(C(C)(C)C)nc1C 915110545 XXCUYUZLXHRYJC-UHFFFAOYSA-N 305.422 4.724 30 20 DJED CC(C)n1c(-c2ccc(N(C)CCC#N)cc2)nc2ccccc21 916854239 FZGHFDSDUXDYDB-UHFFFAOYSA-N 318.424 4.634 30 20 DJED Cc1ccc(C(=O)/C=C/c2cccc(Br)c2)s1 917041994 BNCRNZDPDAMLSU-VOTSOKGWSA-N 307.212 4.715 30 20 DJED O=C(/C=C\c1ccc2c(c1)CCO2)c1cccc2ccccc12 917517720 XMJKUQVUYPOOBM-NTMALXAHSA-N 300.357 4.671 30 20 DJED N#Cc1ccccc1Oc1ccc(N=Cc2ccccc2O)cc1 920173701 FXXUHCSJVJAHPE-UHFFFAOYSA-N 314.344 4.807 30 20 DJED C[C@H](NCCCCC#N)c1ccccc1SC(F)(F)F 924941247 FKFUFVRZYYDXGG-NSHDSACASA-N 302.365 4.643 30 20 DJED Cc1cc(NCCc2c(C)cc(C(C)(C)C)cc2C)ncc1C#N 1161998741 PUKDRIHPKAJINJ-UHFFFAOYSA-N 321.468 4.831 30 20 DJED Cc1ccc(O)c2c1[C@H](C)CC2=NNc1cccc2cnccc12 1320698734 KURXYCUWUUYZHS-CYBMUJFWSA-N 317.392 4.572 30 20 DJED C[C@H](OC(=O)c1ccc2sccc2c1)c1ccc(C#N)cc1 1354917859 FVEIQVNBBNNTLW-LBPRGKRZSA-N 307.374 4.691 30 20 DJED CC[C@H](C)c1ccc(C(=O)N2CCCc3cc(C#N)ccc32)cc1 1436404791 YXWBRXAFIQAREH-HNNXBMFYSA-N 318.420 4.665 30 20 DJED CCC(C#N)(CC)C(=O)N[C@H]1CCCc2ccc(C(C)C)cc21 1458533962 YCZCHLOUYYISRA-SFHVURJKSA-N 312.457 4.634 30 20 DJED Cc1ccc(CN(CCOc2cccc(C#N)c2)C(C)(C)C)cc1 1460482856 PTFAJMFAKOJLGQ-UHFFFAOYSA-N 322.452 4.546 30 20 DJED C[C@H](CCC#N)CN(Cc1ccccc1C(F)(F)F)C1CC1 1474414873 NYSQOJSBWIXKSZ-CYBMUJFWSA-N 310.363 4.610 30 20 DJED Cc1cc(C(=O)Nc2cc3ccccc3cc2C#N)c(C)s1 1528747793 MRHWUZUMOPFAEQ-UHFFFAOYSA-N 306.390 4.642 30 20 DJED N#Cc1ccc(CSc2ncc(-c3ccc(F)cc3)o2)s1 1613438182 KLGLHKUPJDVKFA-UHFFFAOYSA-N 316.382 4.706 30 20 DJED N#Cc1ccc(CN(CC[C@@H]2CCc3ccccc32)C2CC2)cc1 1616567485 CZXNVIJKQBXGQU-FQEVSTJZSA-N 316.448 4.643 30 20 DJED Cc1ccc(-n2ncc(NC[C@H](C)CCC#N)c2C(C)C)cc1 1621249846 QZFNEAHKSZGZAZ-MRXNPFEDSA-N 310.445 4.656 30 20 DJED N#CC1(CSc2nc(-c3ccc(F)cc3)cs2)CCC1 1640614502 RSJKBSIBZJUKOO-UHFFFAOYSA-N 304.415 4.735 30 20 DJED Cc1nc(Oc2cccc(-c3ccccn3)c2)c(Cl)cc1C#N 1642985720 FTEAHDOTYZQWAS-UHFFFAOYSA-N 321.767 4.769 30 20 DJED CC[C@@H](Cc1ccccc1)N(CC)Cc1ccc(F)c(C#N)c1 1644919110 BXQFBQMVHRRPAI-IBGZPJMESA-N 310.416 4.541 30 20 DJED CC(C)CN(Cc1ccccc1C(C)(C)C#N)CC(C)(C)C 1653782301 RQTJAAXFBAHQLG-UHFFFAOYSA-N 300.490 4.992 30 20 DJED Cc1cccc([C@H]2CCCN2Cc2cccc(F)c2C#N)c1C 1657218705 ADTHZBDRQJDXPU-HXUWFJFHSA-N 308.400 4.651 30 20 DJED Cc1c(NN=C[C@@H](C)CC2CCCCC2)cccc1C(=O)O 1776087773 VIEBHGXKTKWQQD-ZDUSSCGKSA-N 302.418 4.697 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1cc(C)c(C)cc1C 1776784012 ODKOFKYKBPGSFT-LJQANCHMSA-N 319.489 4.905 30 20 DJED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(C)(C)C)cc1 43171932 JZUZEJWCZFIUGR-UHFFFAOYSA-N 321.424 4.520 30 20 DJED Cc1ccsc1[C@@H](C)Nc1cccc(OCCCC#N)c1 70091671 NPVHVUSRVMOLSE-CQSZACIVSA-N 300.427 4.912 30 20 DJED C=C(C)CN(CC)C(=O)Nc1cccc(C2SCCS2)c1 104986154 RRCBGUBZFXYAGP-UHFFFAOYSA-N 322.499 4.595 30 20 DJED CCN(C(=O)c1coc2ccccc12)[C@@H](C)c1ccc(C#N)cc1 113023768 CXNZDYZYSHNAQE-AWEZNQCLSA-N 318.376 4.528 30 20 DJED O=C(/C=C/C=C/c1ccccc1)c1c(Cl)nc2sccn12 132811657 YLUOYCNWSQXGQL-KBXRYBNXSA-N 314.797 4.502 30 20 DJED C[C@@H](SCc1ccc(F)cc1C#N)c1nc2ccccc2o1 183270016 FPMCAAUYYZPMBG-LLVKDONJSA-N 312.369 4.833 30 20 DJED C=C(C)[C@H](N[C@@H](C)c1cc(C)ccc1O)c1ccc(F)c(F)c1 186451053 KWLLTLLSBDITMS-DJJJIMSYSA-N 317.379 4.947 30 20 DJED N#Cc1ccc(CNc2ccccc2N2CCCCCC2)c(F)c1 219634098 LDRVYGSLQNDRDK-UHFFFAOYSA-N 323.415 4.690 30 20 DJED C[C@H](c1cccs1)N(C)c1ccc(C#N)c(Br)c1 228182132 MZEJAJMSMSSPBJ-SNVBAGLBSA-N 321.243 4.580 30 20 DJED N#Cc1cccc(CNCc2ccc(OC3CCCCC3)cc2)c1 237846903 FEQIWOMVSFMQNL-UHFFFAOYSA-N 320.436 4.560 30 20 DJED CC(C)n1cc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)cn1 255102580 JIAJPWUHSSQTSA-UTCJRWHESA-N 309.196 4.667 30 20 DJED C[C@@H](C#N)Oc1ccc(/C=C2\C(=O)c3ccccc3C2(C)C)cc1 255268953 TZAVYVWAOPKUME-BXUJETTOSA-N 317.388 4.535 30 20 DJED CCSc1ccc([C@H](C)Nc2snc(Cl)c2C#N)cc1 301178497 GZCIDWYRZWSSPO-VIFPVBQESA-N 323.874 4.953 30 20 DJED Cc1ccccc1[C@@H]1C[C@@H](C)N([C@@H](C)c2ccc(C#N)cc2)C1 303753254 MILMOJRTRQJEAH-FUHIMQAGSA-N 304.437 4.806 30 20 DJED N#CC1(C(O)=Nc2ncc(C3CCCCC3)s2)CCCC1 329331769 ZQMKVSZRSPQCBM-UHFFFAOYSA-N 303.431 4.863 30 20 DJED CCC(C)(C)OCc1ccccc1N/C(O)=N/[C@@H]1CC[C@H](C)C1 331290962 KIOLFWMSWWVOLQ-GOEBONIOSA-N 318.461 4.906 30 20 DJED C=CC[C@@H](C)N[C@@H]1CCSc2ccc(Br)cc21 358036244 KZHQZSJEDRHUAW-ZWNOBZJWSA-N 312.276 4.540 30 20 DJED CCc1oc2ccccc2c1CNc1cccc(OCC#N)c1 390302838 LTELCEQGXFFRPK-UHFFFAOYSA-N 306.365 4.510 30 20 DJED C=CCC[C@H](NC1CCN([C@H](C)c2ccccc2)CC1)C1CC1 438984869 MCSRHZKBZUVMMP-UTKZUKDTSA-N 312.501 4.546 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1cc(-c2ccccc2)cnc1C 439461703 MBRXLCYDBLEHJP-QGZVFWFLSA-N 309.413 4.533 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccc2ccoc2c1 443393789 YARFTJLCIMFFFC-UHFFFAOYSA-N 306.365 4.653 30 20 DJED CCOc1cccc([C@@H](C)N[C@@H](CC)c2ccc(C#N)cc2)c1 447530774 NPPAONGEORHBBA-QRWLVFNGSA-N 308.425 4.759 30 20 DJED CC(C)(CCC#N)CNCC1(Cc2cccc(Cl)c2)CC1 459715802 PITWUZCNSRGODE-UHFFFAOYSA-N 304.865 4.582 30 20 DJED C=CCCC[C@H](C)NC(=O)c1cc(C)cc(C)c1Br 461092950 HIYCLLZIQJUELT-ZDUSSCGKSA-N 324.262 4.541 30 20 DJED C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)c1ncccc1C#N 462922333 BZQKPYUBVOXKSC-INIZCTEOSA-N 313.404 4.818 30 20 DJED C=CCCCCCN1CCC(n2c(C)nc3ccccc32)CC1 482887403 LDNKFQUMLKJHBS-UHFFFAOYSA-N 311.473 4.728 30 20 DJED C=CCC[C@@H](C(=O)N(C)[C@@H](C)c1ccccc1)c1ccccc1 489608261 UBJDMNVDXKOCFT-FXAWDEMLSA-N 307.437 4.956 30 20 DJED Cc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)CCC2 490356967 ZQKRFRHNQPCZGG-VLIAUNLRSA-N 308.400 4.734 30 20 DJED N#Cc1csc(CN(C2CC2)[C@@H]2CCCc3ccccc32)c1 508009074 NHVSRSDWCDCYTL-LJQANCHMSA-N 308.450 4.662 30 20 DJED CCCCS[C@@H](C)C(=O)Nc1cc(C(C)(C)C)sc1C#N 539172540 GIYUZPHNFPXQSU-NSHDSACASA-N 324.515 4.778 30 20 DJED N#Cc1ccc(SCC(=O)c2cccc(C(F)(F)F)c2)cc1 541286988 PMYVDKZTPPAMRA-UHFFFAOYSA-N 321.323 4.552 30 20 DJED C=CCC(C)(C)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 550045390 JXOSAFJNOLMXRK-UHFFFAOYSA-N 302.201 4.543 30 20 DJED C[C@H](CCC(=O)N[C@@](C)(C#N)C1CCCCC1)c1ccccc1 550742858 CYNKBQWESDGERV-UZLBHIALSA-N 312.457 4.549 30 20 DJED C=CC1CCN(C(=O)C2(Cc3cccs3)CCCCC2)CC1 570609880 CHBOLJPKYVXOCI-UHFFFAOYSA-N 317.498 4.666 30 20 DJED CC(C)c1nc(CSCc2cccc(C#N)c2F)cs1 583710031 FVSHPRMKMGSQAF-UHFFFAOYSA-N 306.431 4.711 30 20 DJED CC(=O)Nc1ccc(/C=C\C(=O)c2cc3ccccc3s2)cc1 588535082 ICLQUGZFDJLFMD-FLIBITNWSA-N 321.401 4.756 30 20 DJED CSc1cccc(C)c1NC(=O)CC1(C#N)CCCCC1 597522821 LVVDMMKEISJOCT-UHFFFAOYSA-N 302.443 4.520 30 20 DJED CC(C)Nc1ccccc1NC(=O)C[C@H](CC#N)c1ccccc1 598235256 RAKURZJKIJKSON-KRWDZBQOSA-N 321.424 4.533 30 20 DJED C[C@@H](Nc1cccc(Cl)c1C#N)c1cccc(OC(F)F)c1 603858428 BBFAFUPIBCNRJG-SNVBAGLBSA-N 322.742 4.986 30 20 DJED N#Cc1ccc(SCCCC(=O)c2ccc(F)cc2)c(F)c1 607433741 RMXWPZAPWCJHEM-UHFFFAOYSA-N 317.360 4.592 30 20 DJED C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@@H](C)CC(C)(C)C 615080647 OCGBFUPLCLIVNN-MRXNPFEDSA-N 317.473 4.672 30 20 DJED CCCCCC[C@H](C)CC(=O)Nc1cccc(OCC#N)c1 727663662 HONCTFJRPZUSRW-HNNXBMFYSA-N 302.418 4.524 30 20 DJED N#Cc1cccc(C(=O)/C=C\c2csc(-c3cccs3)n2)c1 728440906 XXEICAQYMARMIN-SREVYHEPSA-N 322.414 4.639 30 20 DJED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCCC(C)(C)C 729067848 ROKZOBHEZJPVNS-OAHLLOKOSA-N 324.424 4.584 30 20 DJED C#CCOc1ccc(CN[C@H](C)c2cc3ccccc3s2)cc1 733328677 XRZKJEYSDWNRFM-OAHLLOKOSA-N 321.445 4.764 30 20 DJED O=C(/C=C/c1cccc(O)c1)c1ccc(SC(F)F)cc1 734980063 GXWPKXOEJZMHFA-RUDMXATFSA-N 306.333 4.603 30 20 DJED O=C(/C=C\c1sc2ccccc2c1Cl)c1cncc(F)c1 737444647 RYTVEOBPIMTRBO-WAYWQWQTSA-N 317.772 4.985 30 20 DJED C=CCN(C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(C)C 741898122 CDYFDIQSPNBQMR-LSDHHAIUSA-N 312.240 4.520 30 20 DJED C#Cc1cccc(N(CC)C(=O)c2cc3cc(C)c(C)cc3o2)c1 742633781 HZQZOPMPQXWJTR-UHFFFAOYSA-N 317.388 4.698 30 20 DJED Cc1ccc2cc([C@@H](C)NCc3cc(C#N)ccc3F)oc2c1 756043120 SLTLDBGZEZBEPZ-CYBMUJFWSA-N 308.356 4.603 30 20 DJED CCc1cnccc1C(=O)/C=C/c1ccc(C(F)(F)F)s1 761479020 JDNMKLUNRFLLSB-HWKANZROSA-N 311.328 4.620 30 20 DJED COc1ccsc1/C=C/C(=O)c1cccc(C(F)(F)F)c1 764432496 CCRKEJUJMIBHRQ-AATRIKPKSA-N 312.312 4.672 30 20 DJED C[C@@H](CCC(=O)OCCCCC(C)(C)C#N)c1ccccc1 768790916 IKHCHACXWJSVKA-INIZCTEOSA-N 301.430 4.834 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2ccccc2C(F)(F)F)cc1F 776730014 ZCPFFGKISRVZCV-BQYQJAHWSA-N 319.257 4.612 30 20 DJED Cc1ccc2c(c1)OCC/C(=C/c1ccc3cnccc3c1)C2=O 782346805 CZNJKUHVERPHND-ATVHPVEESA-N 315.372 4.592 30 20 DJED C[C@@H](C#N)Oc1ccccc1NC[C@H](C)c1cccc(Cl)c1 783665583 YKFLILYPKMFMTC-KBPBESRZSA-N 314.816 4.846 30 20 DJED CCc1c(C(=O)/C=C\c2ccnn2C(C)C)oc2ccccc12 794936519 BBWSEHISDZPAPY-KTKRTIGZSA-N 308.381 4.669 30 20 DJED c1nc(NN=C2CCCCC23CCCC3)c2sccc2n1 814878464 BFSLQARMVJAIAP-UHFFFAOYSA-N 300.431 4.594 30 20 DJED Cc1cccc([C@@H]2C[C@H]2C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c1 860582420 WRJGLFRATZPXFO-ARFHVFGLSA-N 324.449 4.555 30 20 DJED CCOc1cccc(C=Nc2cccc(OCC(C)C)c2)c1O 917556770 MIZGIPXFUZWLEK-UHFFFAOYSA-N 313.397 4.576 30 20 DJED CCCCCCCCCC(=O)Nc1ccc(-c2nnco2)cc1 918579850 RDILFDGHXZZPAD-UHFFFAOYSA-N 315.417 4.816 30 20 DJED C[C@@H](CC(C)(C)C#N)Nc1ccc(-c2cnc(C3CC3)o2)cc1 926050169 RUTWGSPKPVVLGT-ZDUSSCGKSA-N 309.413 4.959 30 20 DJED N#CC[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 1124169539 PYLKWUNIDYJJGC-CYBMUJFWSA-N 319.191 4.629 30 20 DJED Cc1ccc([C@@H](CC(F)(F)F)N[C@H](C)CC(C)(C)C#N)cc1 1180594648 UZTHIQGLTWYVPS-UKRRQHHQSA-N 312.379 4.907 30 20 DJED C[C@@H]1CCCc2ccccc2[C@H]1NCc1ccc(C#N)c(F)c1 1180623126 MZXMHZFGATWJSX-VLIAUNLRSA-N 308.400 4.501 30 20 DJED N#Cc1ccc(CN2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)s1 1193574163 DTJHRKVCCDDUHT-AQNXPRMDSA-N 322.477 4.778 30 20 DJED CC[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)C1CC1 1196198368 JYFOIGUMKOGNOL-NRFANRHFSA-N 318.464 4.665 30 20 DJED N#Cc1ccc(CNC[C@@H]2CCCC[C@@H]2c2ccccc2)c(F)c1 1202417278 JTTJAAWTMPBVRJ-AZUAARDMSA-N 322.427 4.761 30 20 DJED C[C@@H](NC(=O)C1CC(C)(C)CC(C)(C)C1)c1cccc(C#N)c1 1288803436 OZRMJSUXZCGXMI-CQSZACIVSA-N 312.457 4.588 30 20 DJED COc1ccc([C@@H](N[C@@H](C)CC(C)(C)C#N)c2ccccc2)cc1 1308862448 XJZBAFLZNKSDKE-JXFKEZNVSA-N 322.452 4.703 30 20 DJED CC[C@H]1CCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)[C@H]1C 1310783656 OXXDLEXVHIQABP-RYUDHWBXSA-N 319.474 4.570 30 20 DJED CC[C@@H]1CCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCCC2 1350729392 ILEPFHIVOZDCIT-OLZOCXBDSA-N 316.470 4.653 30 20 DJED N#CC1(CCN(Cc2ccc(F)cc2)CC2CC2)CCCCC1 1459499676 BSTIMHCVNDVPKI-UHFFFAOYSA-N 314.448 4.902 30 20 DJED Cc1ccc(C)c([C@@H]2CCCN2Cc2cccc(C#N)c2F)c1 1459769511 GOHUIGGFDXPJAX-IBGZPJMESA-N 308.400 4.651 30 20 DJED C=C(Cl)CNC(=O)c1ccc(Oc2cccc(Cl)c2)cc1 1465284111 YOAABACQMPCZSG-UHFFFAOYSA-N 322.191 4.615 30 20 DJED C[C@H]1CCN(c2nc(C(C)(C)C)ccc2C#N)[C@@H](c2ccco2)C1 1472706160 HYQYBAPAETUYDN-GOEBONIOSA-N 323.440 4.821 30 20 DJED Cc1cc(OCc2csc(-c3cccs3)n2)ccc1C#N 1473024732 ZSBLVEDMBPUIEY-UHFFFAOYSA-N 312.419 4.631 30 20 DJED COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1C(C)(C)C 1473963332 UTMYOHNLYTWDQZ-HNNXBMFYSA-N 322.452 4.715 30 20 DJED C[C@H]1Cc2c(sc(NC(=O)C3CC(C)(C)C3)c2C#N)[C@H](C)C1 1526730102 CFYXZUOGWHRHCT-GHMZBOCLSA-N 316.470 4.680 30 20 DJED CCCC1(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)CC1 1527164365 NAYIJKXVXQOGOX-RYUDHWBXSA-N 316.470 4.824 30 20 DJED CC[C@H](C#N)C(=O)Nc1ccc(-c2cccc(Cl)c2)cc1C 1542718612 DOVNHXGTMFJBEG-CYBMUJFWSA-N 312.800 4.804 30 20 DJED CC(C)(C)[C@@H]1CN(c2nc(Cl)c(C#N)s2)c2ccccc21 1559179209 PAZFROZVZDOCGX-LLVKDONJSA-N 317.845 4.950 30 20 DJED Cc1nc(N2CCC[C@H]2/C=C\c2ccccc2)c(Cl)cc1C#N 1559292206 IBENBIBUFOKAMB-IBSYWUHOSA-N 323.827 4.597 30 20 DJED C[C@H](CCC#N)CN(C)Cc1ccccc1OCc1ccccc1 1560967967 SKEDNAXCMFUOCB-GOSISDBHSA-N 322.452 4.637 30 20 DJED CC[C@@H](Nc1snc(Cl)c1C#N)C(C)(C)c1ccccc1 1650873278 IQOVGRJWZGNMBT-CYBMUJFWSA-N 319.861 4.836 30 20 DJED CCc1cc(OC)ccc1CN(CC)[C@H](C)c1ccc(C#N)cc1 1651931813 DZVLBYGBUXJKNC-MRXNPFEDSA-N 322.452 4.712 30 20 DJED CCN(Cc1cc(F)ccc1Cl)[C@H](C)c1ccc(C#N)cc1 1653201122 ZRRWNEZMATZZRO-CYBMUJFWSA-N 316.807 4.934 30 20 DJED N#C[C@H](c1ccccc1)N1CCC(c2cccc(Cl)c2)CC1 1653403926 NDYNCADGVLEPNS-LJQANCHMSA-N 310.828 4.784 30 20 DJED N#Cc1ccc(CCN[C@@H](c2ccccc2)C2CCCC2)cc1 1653664991 TUSDXGURZVYRFW-NRFANRHFSA-N 304.437 4.622 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@@]1(C)Cc1ccc(F)cc1 1654778753 HTCPBLLMOQHQGP-NRFANRHFSA-N 322.427 4.603 30 20 DJED Cc1c(C#N)cccc1NC(=O)N1CCC[C@H](C)c2ccccc21 1667871809 BXNZEELRDBDGCO-AWEZNQCLSA-N 319.408 4.803 30 20 DJED CC(CCC1CCCCC1)=NNc1cccc(C(=O)O)c1C 1776086952 ZDOGGXUWOCQLKO-UHFFFAOYSA-N 302.418 4.842 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1ccc(C)c(C)c1C 1776784171 LUXBDFNLFRKONK-LJQANCHMSA-N 319.489 4.905 30 20 DJED CCc1oc2ccccc2c1/C=C/C(=O)c1cccc(C(=O)O)c1 1776999419 RKFSRIWKJYWLGT-ZHACJKMWSA-N 320.344 4.590 30 20 DJED N#Cc1cccc(CNCc2ccc(-c3ccc(F)cc3)s2)c1 66971976 NFXFJWIVJCJDEY-UHFFFAOYSA-N 322.408 4.716 30 20 DJED CC[C@@H](C#N)Oc1cccc(CNc2nc3ccccc3s2)c1 72948865 VIYWQHRGUBGBEA-AWEZNQCLSA-N 323.421 4.589 30 20 DJED C[C@@H](CCc1ccccc1F)Nc1ccccc1O[C@H](C)C#N 162270807 OMOXRGSHXJIUCO-LSDHHAIUSA-N 312.388 4.550 30 20 DJED COc1ccc(C(=O)/C=C/c2cnn(C(C)C)c2)c2ccccc12 171981717 VXEQPGGBKHQDES-CSKARUKUSA-N 320.392 4.522 30 20 DJED CC1C/C(=C\c2cccc(O)c2)C(=O)/C(=C/c2cccc(O)c2)C1 207552614 JNORQBSGNLWLKJ-ODPUSEOTSA-N 320.388 4.564 30 20 DJED Cc1ccc(C[C@H](C)Nc2c(C#N)cnc3ccccc23)s1 316236334 QSWVMZYASKMETD-LBPRGKRZSA-N 307.422 4.520 30 20 DJED N#CCCCOc1cccc(NCc2ccc(C3CC3)cc2)c1 321647118 FCQKKDJFRQXPRN-UHFFFAOYSA-N 306.409 4.859 30 20 DJED CC(O)=Nc1ncccc1N=C(O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 329104331 NYULVMJKOJUUQC-RRFJBIMHSA-N 315.417 4.884 30 20 DJED CCc1cc(C#N)c(N=C(O)c2csc(C(C)(C)C)n2)s1 330443612 QDJBSHQLGYLGPR-UHFFFAOYSA-N 319.455 4.572 30 20 DJED C=CCCCCCN(C)C(=O)NCc1ccc(C(C)(F)F)cc1 432598442 QLJJYRRDIMAZQW-UHFFFAOYSA-N 324.415 4.686 30 20 DJED N#Cc1cc(F)ccc1NC(=O)Nc1cccc2ccsc12 443940352 YVNZVIURXLLTQV-UHFFFAOYSA-N 311.341 4.556 30 20 DJED Cc1cc(CNc2ccc(-c3nccs3)cc2)ccc1C#N 447702863 FXQXNJKTHKXYFP-UHFFFAOYSA-N 305.406 4.602 30 20 DJED C=CCC1(C(=O)Nc2cc(C(=O)CC)ccc2Cl)CCC1 471423770 YIOKTMHCPNUACK-UHFFFAOYSA-N 305.805 4.618 30 20 DJED CC(C)(C#N)c1ccccc1CN(C#N)c1cccc(Cl)c1 478743020 YGUTUBKSVXNLJE-UHFFFAOYSA-N 309.800 4.629 30 20 DJED C=C(C)[C@H](NC(=O)Nc1cccc(F)c1)c1ccc(F)c(F)c1 478840537 SERWAJOBQAYGQO-INIZCTEOSA-N 320.314 4.543 30 20 DJED C=C(C)CN(C)C(=O)c1ccc(SCc2ccccc2)cc1 479222071 UPPVBILEFFPAHS-UHFFFAOYSA-N 311.450 4.627 30 20 DJED CCN(Cc1ccc(Cl)cc1C#N)[C@@H](C)c1ccc(C#N)cc1 480526153 NQAFNOODWAOJEL-AWEZNQCLSA-N 323.827 4.666 30 20 DJED CC(C)(CCC#N)CN1CCC[C@@H](c2ccc(F)cc2)CC1 497124782 GDVPFAYYVKCMBQ-MRXNPFEDSA-N 302.437 4.725 30 20 DJED C=C(C)CN(C)C(=O)N[C@H](c1oc2ccccc2c1C)C(C)C 497640079 UXCBTUQUJXPUCU-KRWDZBQOSA-N 314.429 4.656 30 20 DJED Cc1cccc(F)c1NC(=O)c1sc2ccc(C#N)cc2c1C 497963796 DKQCYWLIEDCAEQ-UHFFFAOYSA-N 324.380 4.781 30 20 DJED CCCCCc1ccc(OCCCC2(C#N)CCOCC2)cc1 499928926 NAXNAKKXWGLBCL-UHFFFAOYSA-N 315.457 4.899 30 20 DJED N#Cc1cc(NCc2c(F)cccc2Cl)nc2ccccc12 522935534 YFJXSJTZVNDWEU-UHFFFAOYSA-N 311.747 4.511 30 20 DJED C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1cccc(C#N)c1 524852377 RLSMIYHVDJUAOH-INIZCTEOSA-N 318.420 4.562 30 20 DJED N#Cc1ccc(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)s1 552216458 NWYALIJQIGNIOM-IBGZPJMESA-N 321.449 4.828 30 20 DJED N#Cc1cc(Oc2ccc(NC[C@H]3CC=CCC3)cc2)ccn1 563840302 FTKPKMRHZHSEIR-HNNXBMFYSA-N 305.381 4.514 30 20 DJED C/C(=C\c1ccccc1C(F)(F)F)CN1CCC[C@@H](CC#N)C1 597176718 JKICQHRQOVDMNB-GOFCXVBSSA-N 322.374 4.734 30 20 DJED CC[C@@H](CC(=O)N(CC(C)C)c1ccc(C#N)cc1)C(C)C 609168510 WRJTZIHOOOKLGD-KRWDZBQOSA-N 300.446 4.620 30 20 DJED Cc1ccc(C(=O)/C=C/c2coc(-c3ccccc3)n2)cc1C 731835695 MWOIOAPMKZAIJV-ZHACJKMWSA-N 303.361 4.855 30 20 DJED C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H](C)C(C)C)c1 733104023 VEPWOJJJZGMNEV-OAHLLOKOSA-N 311.450 4.555 30 20 DJED C=CC[C@H](C)NCc1c(C)nn(-c2ccc(Cl)cc2)c1Cl 735085649 GBBSPSYNXNGRMQ-NSHDSACASA-N 324.255 4.542 30 20 DJED Cc1cc(C(=O)/C=C\C2=Cc3ccccc3OC2)cc(C)c1F 741467384 NAFTVHMNZWOQGU-FPLPWBNLSA-N 308.352 4.657 30 20 DJED O=C(/C=C/c1ccc(O)c(F)c1)c1cc(Cl)sc1Cl 755582217 UHAJIVYRWKQVAU-HNQUOIGGSA-N 317.168 4.796 30 20 DJED CC(C)n1cc(C(=O)/C=C/c2csc(Cl)c2Cl)cn1 761479339 ZUFYIQSKWSTRAC-ONEGZZNKSA-N 315.225 4.728 30 20 DJED Cc1ccc(OC(F)F)c(C(=O)/C=C/c2ccc(Cl)nc2)c1 762602454 GHNUUYWPEGIYHJ-HWKANZROSA-N 323.726 4.541 30 20 DJED C=CC[C@H](N[C@@H](CCC)c1ccc(OC)cc1)c1ccncc1 766023026 ZOKFAZZTGLFFEY-PMACEKPBSA-N 310.441 4.838 30 20 DJED Cc1cncc(C(=O)/C=C\c2cccc(OC3CCCC3)c2)c1 767365603 DTXSUQFYAXFJRF-KTKRTIGZSA-N 307.393 4.608 30 20 DJED CCCCCCCCCCC(=O)N[C@@H]1CCOC2(CCC2)C1 768399392 YBLUQOSXCSVNQU-QGZVFWFLSA-N 309.494 4.735 30 20 DJED CCCC(=CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1)CCC 771287089 PVPPRCOSXBCRDS-OAHLLOKOSA-N 309.413 4.574 30 20 DJED C[C@H](NN=Cc1ccc(F)cc1C(F)(F)F)c1ccccc1 771876999 HNVLZRNXKZKSTI-NSHDSACASA-N 310.294 4.529 30 20 DJED Cc1cc(CCCC(=O)OCCCC(C)(C)C#N)c(C)s1 784062006 NTYGQSREBDPJMP-UHFFFAOYSA-N 307.459 4.561 30 20 DJED Cc1cc(C)cc(NN=Cc2c(F)cccc2Br)c1 794479522 GRDYKSGQJWTEPN-UHFFFAOYSA-N 321.193 4.651 30 20 DJED Cl/C=C\CON=C(Cc1ccccc1Cl)c1ccoc1 814934282 QSPIELZHKTXJMI-ZVCVWSBGSA-N 310.180 4.649 30 20 DJED CC[C@H](N[C@H]1CCO[C@H](c2ccccc2)C1)c1cccc(C#N)c1 902954459 VXVLFEOAYCQAQE-ACRUOGEOSA-N 320.436 4.519 30 20 DJED Cc1nc(N[C@H]2CCC[C@H]2CCC(C)C)c(Cl)cc1C#N 1162413455 NADBKOQEMVPAJN-BBRMVZONSA-N 305.853 4.932 30 20 DJED N#Cc1ccc(CNC2CCC3(CCCC3)CC2)cc1Cl 1178561372 HLLRXTWMEVTBID-UHFFFAOYSA-N 302.849 4.804 30 20 DJED N#Cc1cc2ccccc2nc1NCc1cccc(C(F)F)c1 1255359557 FQUJMXCYUFFZOX-UHFFFAOYSA-N 309.319 4.656 30 20 DJED C[C@@H]1CCCC[C@@H]1CNc1c(C#N)cnc2c(Cl)cccc12 1306951779 RVTPDYYKGVIUFH-CHWSQXEVSA-N 313.832 4.998 30 20 DJED CC(C)[C@@H]1CCCN(c2c(C#N)cnc3c(Cl)cccc23)C1 1307097328 UCENFZIDSXFAFY-CYBMUJFWSA-N 313.832 4.632 30 20 DJED CC(C)CCN(CCC#N)CCc1c(Cl)cccc1Cl 1307512768 GZGMRPYWCDPWBO-UHFFFAOYSA-N 313.272 4.798 30 20 DJED CSCCc1ccc(NC2CC(C#N)(c3ccccc3)C2)cc1 1324343228 BLEJBCDKEFLHQS-UHFFFAOYSA-N 322.477 4.628 30 20 DJED C=C(C)CCC(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1 1337075619 DENLKAUCOFDTLT-UHFFFAOYSA-N 320.502 4.503 30 20 DJED C=CCC[C@H]1CCCN1C(=O)Nc1cccc(SC)c1C 1346454906 IHIYDTBVMBMVBG-AWEZNQCLSA-N 304.459 4.679 30 20 DJED CC(C)CC[C@H](NC(=O)CC1(C#N)CCCCC1)C(C)(C)C 1456416601 ZRRJXMBNTOIACF-INIZCTEOSA-N 306.494 4.818 30 20 DJED CC[C@H](C)Oc1ccc(Nc2ccc(Cl)c(C#N)n2)cc1 1458126662 IITAFFACSIOQGN-NSHDSACASA-N 301.777 4.528 30 20 DJED CCC(CC)CN(CCC#N)c1nc2ccc(F)cc2s1 1458307163 BSFFAIBNIJJRFP-UHFFFAOYSA-N 305.422 4.592 30 20 DJED CCN(Cc1cccc(Cl)c1F)[C@@H](C)c1ccc(C#N)cc1 1459349727 KRUDVPZUEKMZPA-ZDUSSCGKSA-N 316.807 4.934 30 20 DJED CCC[C@@H](CC(C)C)C(=O)Nc1cc(C#N)c2ccccc2n1 1459913491 NFUPFGIAQSOTLK-AWEZNQCLSA-N 309.413 4.507 30 20 DJED COc1cccc2c(CN[C@H](C)c3cccc(C#N)c3)cccc12 1474266006 JIUFUQWMXTVRBU-OAHLLOKOSA-N 316.404 4.571 30 20 DJED C[C@H](CCC#N)CN[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 1474576279 KNIIHNCKKGEPRO-HFTRVMKXSA-N 304.865 4.896 30 20 DJED CC[C@H](C)c1ccc([C@H](NC(=O)c2ccc(C#N)o2)C(C)C)cc1 1531422334 NUGRVNXQVVXKQT-IFXJQAMLSA-N 324.424 4.792 30 20 DJED C=C(Br)CN(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 1559591402 ZGGRIMJGGJMMMG-RYUDHWBXSA-N 316.670 4.672 30 20 DJED N#Cc1cccc(CN2CCC[C@@H]2CC2CCCCC2)c1F 1615337135 ICERIXRSPPDKAC-GOSISDBHSA-N 300.421 4.632 30 20 DJED CC1(C)[C@@H](CNc2nc(Cl)c(C#N)s2)[C@@H]1c1ccccc1 1642775664 WVAXHZUQRZTATH-AAEUAGOBSA-N 317.845 4.520 30 20 DJED CN(Cc1ccc(C#N)s1)[C@H]1CCCC[C@@H]1c1ccccc1 1646189931 JKMSILRYZQLUPA-MOPGFXCFSA-N 310.466 4.778 30 20 DJED Cc1nc(NCC2(C)CCC(C)(C)CC2)c(Cl)cc1C#N 1655573847 UKPXYZRJRLXPFF-UHFFFAOYSA-N 305.853 4.934 30 20 DJED N#Cc1c(F)cccc1CN1CCC[C@@H]1CCCc1ccccc1 1658812142 LIBWPHCYPRWIGM-IBGZPJMESA-N 322.427 4.685 30 20 DJED CCn1c(S[C@H](C#N)Cc2ccc(C)cc2)nc2ccccc21 7153911 OZWVDNIDTNCZEM-INIZCTEOSA-N 321.449 4.592 30 20 DJED COc1cc(C(=O)/C=C/c2cc(F)ccc2F)ccc1SC 60245348 IWOIKWZRLSBWQH-XVNBXDOJSA-N 320.360 4.591 30 20 DJED CCCCCCCC(=O)N1CCn2cccc2[C@@H]1c1ccccc1 108803788 GCJJEDOWSHNTAK-NRFANRHFSA-N 324.468 4.780 30 20 DJED Cc1nc(-c2cccc(NCc3ccc(C#N)cc3)c2)cs1 157721628 DRJDHQKAHCVFGK-UHFFFAOYSA-N 305.406 4.602 30 20 DJED N#Cc1ccccc1CNc1ccc(CCC(F)(F)F)cc1 176956712 FVSCLBKSICYVQD-UHFFFAOYSA-N 304.315 4.665 30 20 DJED CC(C)(C#N)CCCSCc1ccn(-c2ccccc2F)n1 187524532 MGTLMMSPDQZSSQ-UHFFFAOYSA-N 317.433 4.575 30 20 DJED C=CCC1(C(=O)Nc2cccc(C3SCCS3)c2)CCC1 191142943 CRIBEXFVKZMHLJ-UHFFFAOYSA-N 319.495 4.850 30 20 DJED O=C(/C=C/c1cccc(Oc2ccccc2)c1)c1ccncc1 216148400 NAPRLNNUSNUXJL-MDZDMXLPSA-N 301.345 4.770 30 20 DJED N#Cc1ccc2nc(N[C@@H]3CCCc4sccc43)ccc2c1 302228978 XSJGAEBXBXJNNM-MRXNPFEDSA-N 305.406 4.657 30 20 DJED CC(C)Oc1ccccc1[C@H](C)N[C@H](C)c1ccc(C#N)cc1 320015057 FJZGSMLFBYUAIU-CVEARBPZSA-N 308.425 4.757 30 20 DJED CC(C)(C/C(O)=N/[C@H]1CCCc2c[nH]nc21)C1CCCCC1 330032021 UKJQXJRFCPTLQW-HNNXBMFYSA-N 303.450 4.740 30 20 DJED C[C@H](SCc1ccc(C#N)cc1OC(F)F)c1cccnc1 341934574 XUNBIZYDYNITBF-NSHDSACASA-N 320.364 4.549 30 20 DJED N#Cc1ccc(CN[C@@H](CC2CCC2)c2ccccc2)cc1F 361862238 LXOYVTUEBXFDLR-FQEVSTJZSA-N 308.400 4.718 30 20 DJED Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc(C#N)cc2)cc1 437651812 FROXAPNMERDZFU-IBGZPJMESA-N 319.408 4.626 30 20 DJED N#Cc1cccc(NC(=O)N2CCCC3(CCCCCC3)C2)c1 437655659 MOVGJCOKFLUTNG-UHFFFAOYSA-N 311.429 4.527 30 20 DJED C[C@H](SCCc1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 443162940 VZLFQMQXXICCOI-ZDUSSCGKSA-N 312.394 4.503 30 20 DJED CC[C@@H](NCCCCN(C)c1ccccc1)c1ccc(C#N)cc1 447530803 NSBYEWDHEKNPOP-OAQYLSRUSA-N 321.468 4.516 30 20 DJED Cc1cccnc1[C@@H]1CCC[C@@H](Nc2cccc(CC#N)c2)C1 449705876 ZKLHKEDQGXCHRK-IEBWSBKVSA-N 305.425 4.594 30 20 DJED Cc1cc([C@@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)ccc1F 453264142 VWUGOVGTCVRMIS-CHWSQXEVSA-N 300.352 4.557 30 20 DJED C=C[C@H](CC(=O)Nc1nccc2sccc12)c1ccccc1 461101154 CWNZSLCCCAMVHW-CYBMUJFWSA-N 308.406 4.595 30 20 DJED Cc1ccc([C@@H]2OCCC[C@@H]2CNc2cccc(F)c2C#N)cc1 463063808 JASIJBSLLDJHDX-UZLBHIALSA-N 324.399 4.586 30 20 DJED CC(C)[C@@H](Cc1ccc(F)cc1)N[C@@H](C)c1ccc(C#N)cc1 463904053 HHTPJKYQLUUJST-MGPUTAFESA-N 310.416 4.615 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1ccc(C(F)F)cc1 482723998 OVUPPWJMEBNNAM-UHFFFAOYSA-N 307.384 4.833 30 20 DJED C=CC[C@H](C(=O)Nc1ccc(CSC)cc1)c1ccccc1 488375770 CSNSNFJVBHMWQR-SFHVURJKSA-N 311.450 4.848 30 20 DJED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)C(C)C 498070101 AQTYANFDSNWSAB-OAHLLOKOSA-N 322.408 4.890 30 20 DJED Cc1cc(CN[C@@]2(c3ccc(Cl)cc3)C[C@H]2C)ccc1C#N 500431484 XTWOXBJOWLABQT-KUHUBIRLSA-N 310.828 4.545 30 20 DJED C[C@H]1C[C@@]1(NCCCCC(C)(C)C#N)c1ccc(Cl)cc1 503412477 VCPLWZWTPIMYCE-KSSFIOAISA-N 304.865 4.885 30 20 DJED C=CCC(C)(C)c1noc(-c2cnc(-c3ccsc3)s2)n1 556359911 IKHVEOSULMWLQL-UHFFFAOYSA-N 317.439 4.775 30 20 DJED COc1cc(C)ccc1[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 569558602 ZMKYNNXDJUPVBF-MGPUTAFESA-N 320.436 4.604 30 20 DJED CCSc1ccccc1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 576938093 ODRQOCMBMVRLMS-CQSZACIVSA-N 324.449 4.503 30 20 DJED Cc1cccc(OC(F)F)c1N[C@H](C)c1cccc(C#N)c1 600848900 INFKZEBDVRZSRH-GFCCVEGCSA-N 302.324 4.641 30 20 DJED Cc1cccc2nc(N[C@@H]3CCc4cc(C#N)ccc43)sc12 619498521 UGWQMSFIDVEDIJ-OAHLLOKOSA-N 305.406 4.576 30 20 DJED C[C@H](NCc1ccc(C#N)c(Cl)c1)c1csc(Cl)c1 619755004 QKVOWAXXVLDTOU-VIFPVBQESA-N 311.237 4.777 30 20 DJED C=C(CN[C@@H](c1ccc2nc(O)oc2c1)C(C)C)c1ccccc1 678687324 WPRZUQMCRGKBGR-LJQANCHMSA-N 322.408 4.534 30 20 DJED Cc1ccc2c(c1)C/C(=C/c1cccc(OCCCC#N)c1)C2=O 726741075 SOCPWICBMZSCQV-PDGQHHTCSA-N 317.388 4.500 30 20 DJED O=C(/C=C\c1cnc(-c2ccccc2)s1)c1cccc(F)c1 727263756 HLGLXAHSKMIVEQ-KTKRTIGZSA-N 309.365 4.845 30 20 DJED CCC(CCc1ccc(Br)cc1)=NNC1CCCC1 727651722 NFRZBZRJSYARLE-UHFFFAOYSA-N 323.278 4.680 30 20 DJED C#Cc1cccc(N(C(=S)Nc2cc(C)ccc2C)C(C)C)c1 728227231 ZVGBVSLVNZJWDJ-UHFFFAOYSA-N 322.477 4.897 30 20 DJED O=C1/C(=C\c2cccnc2Cl)Cc2c1ccc(Cl)c2Cl 729150734 LXMJXJZOIYAILU-TWGQIWQCSA-N 324.594 4.864 30 20 DJED CCc1ccc(/C=C/C(=O)c2ccc(OC(F)F)cc2)s1 731155475 HWSIIDVKVCFFPR-MDZDMXLPSA-N 308.349 4.808 30 20 DJED COc1cccc(/C=C\C(=O)c2sccc2C)c1OC(C)C 733749614 QBCHMJJTXZZPIW-HJWRWDBZSA-N 316.422 4.748 30 20 DJED CCn1cc(C(=O)/C=C/c2ccc(-c3ccc(F)cc3C)o2)cn1 734304370 HZXUIBQODXGVJZ-VMPITWQZSA-N 324.355 4.507 30 20 DJED N#Cc1c(Cl)nsc1N1CCCC2(CCCCCC2)C1 742424683 RWMYVFMKGSMUJI-UHFFFAOYSA-N 309.866 4.609 30 20 DJED COc1cccc2cc(C(=O)/C=C/c3ccc(F)cc3C)oc12 750901301 DNMWSXXRPAMRRW-VQHVLOKHSA-N 310.324 4.785 30 20 DJED CCCCCCCC(=O)N[C@H](C)c1nc(C2CCCCC2)no1 752004211 ZPYWSUNZIKUXPC-CQSZACIVSA-N 321.465 4.655 30 20 DJED FC(F)(F)c1ccc(CON=C[C@@H]2CCc3ccccc32)cc1 755803168 FJHQKNDKJPXKNC-HNNXBMFYSA-N 319.326 4.938 30 20 DJED O=C1/C(=C\c2ccc(Cl)nc2)CCc2c(Cl)cccc21 758037948 BBRUXBNLLHRYCC-FLIBITNWSA-N 304.176 4.601 30 20 DJED C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1csc2ccccc12 766077868 PTLJYIZILYVNLM-NSHDSACASA-N 323.377 4.854 30 20 DJED Cc1ccoc1C(=O)/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 769783963 KFIUDGSYEJJNHX-VURMDHGXSA-N 323.304 4.652 30 20 DJED CC(C)c1cccc2c1OCCC[C@H]2NCc1ccc(C#N)cc1 769873776 IJSHZBIYXKGKDH-HXUWFJFHSA-N 320.436 4.685 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2cc(F)cc(C(F)(F)F)c2)cc1 772803340 SSXQZXNNPQRQFS-ZZXKWVIFSA-N 319.257 4.612 30 20 DJED C#CC[C@@H](N[C@@H](C)c1ccc(OCCC)cc1)c1ccccc1 773115182 MXDNBOVKWFSCCD-LAUBAEHRSA-N 307.437 4.891 30 20 DJED CC(/C=C\C(=O)c1cnn(C(C)(C)C)c1C)=C/c1ccccc1 787186305 NRVIZCJMBCPIAQ-CWENXQOLSA-N 308.425 4.789 30 20 DJED CC(C)(C)c1cnc(/C=C2/Cc3c(F)ccc(F)c3C2=O)s1 790600957 PHDAHOFFBAHWPC-CLFYSBASSA-N 319.376 4.541 30 20 DJED O=C(/C=C\c1ccnc(Cl)c1Cl)c1ccc(Cl)cc1 791432746 CDAQLMGUSQOZJO-UTCJRWHESA-N 312.583 4.938 30 20 DJED CC[C@](C)(C#N)C(=O)O[C@H](C)c1sc2ccccc2c1C 802767905 ZZULULXLASLKIH-SJKOYZFVSA-N 301.411 4.754 30 20 DJED C[C@H](OC(=O)CCCCCC#N)c1ccc(C(F)(F)F)cc1 805695765 HPSXTBHSVAQPTC-LBPRGKRZSA-N 313.319 4.784 30 20 DJED C#CC[C@@H](OC(=O)c1cc2cc(C)ccc2s1)c1ccccn1 810569913 SDBWCDAIXVBMEP-MRXNPFEDSA-N 321.401 4.526 30 20 DJED CCCC[C@](C)(F)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 850829427 KCHJCKPCABTLMJ-ZBEGNZNMSA-N 322.380 4.530 30 20 DJED C[C@H](CC(=O)[C@@H](C#N)c1ccc2ccccc2n1)CC(C)(C)C 916848082 ALGHACWRPAJEQO-ZBFHGGJFSA-N 308.425 4.873 30 20 DJED C=C1CCN(C(=O)Nc2ccccc2COC(C)(C)CC)CC1 930824442 CUBFFWOYYFXNOI-UHFFFAOYSA-N 316.445 4.576 30 20 DJED CC(C)Cc1ccc([C@H](NC(=O)CC(C)(C)C#N)C(C)C)cc1 1124491725 RZNXCTHMNMNURH-LJQANCHMSA-N 314.473 4.638 30 20 DJED CC(C)(C)c1cc(Oc2ccc(C#N)cc2)nc(C(C)(C)C)n1 1162043350 WIJZRRFJFUEQJC-UHFFFAOYSA-N 309.413 4.736 30 20 DJED CCOCc1ccc(N[C@@H]2CCCc3cc(C#N)ccc32)cc1 1254231445 WLQGZXWWZQIWFG-HXUWFJFHSA-N 306.409 4.584 30 20 DJED CCCc1ccc(CCCC(=O)Nc2ccc(F)cc2C#N)cc1 1265737959 FYNWUGBFYYHAIX-UHFFFAOYSA-N 324.399 4.611 30 20 DJED CC[C@H](C#N)N(CC)C(=O)[C@@H]1CC12CCC(C(C)(C)CC)CC2 1289300053 YZSGIZJYMJRZAD-RXCRORICSA-N 318.505 4.770 30 20 DJED CCC1(CC)CN(C(=O)Nc2cccc(C#N)c2)c2ccccc21 1310076376 KAANEOMUWIPNRX-UHFFFAOYSA-N 319.408 4.668 30 20 DJED CC(C)[C@H]1C[C@H](NCc2cccc(OCC#N)c2)c2ccccc21 1322119478 IJCOLHNPXBGDFT-RTWAWAEBSA-N 320.436 4.563 30 20 DJED C=CC1CCN(C(=O)c2ccc(-c3cccs3)s2)CC1 1342181650 WMZHHJOADNOYGA-UHFFFAOYSA-N 303.452 4.515 30 20 DJED Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(C)c(C#N)c2)cc1 1435220512 JMMGPFJEVXINEG-FQEVSTJZSA-N 318.420 4.543 30 20 DJED CCn1c(S[C@H](C#N)CCc2ccccc2)nc2ccccc21 1458722623 JJSARUCAUMAXDF-INIZCTEOSA-N 321.449 4.673 30 20 DJED Cc1ccc(C[C@H](C#N)SCc2cccc(F)c2F)cc1 1459255106 XMVJVKYBRXVTMV-OAHLLOKOSA-N 303.377 4.641 30 20 DJED Cc1c([C@@H](C)NC(=O)c2cccc(C#N)c2)sc2ccccc12 1521757385 ZJOSXLUJFXJGAX-CYBMUJFWSA-N 320.417 4.572 30 20 DJED N#CC1(CC(=O)O[C@H]2CCCC[C@@H]2C(F)(F)F)CCCCC1 1523913650 NTLPTKRPTDTFSG-STQMWFEESA-N 317.351 4.515 30 20 DJED C[C@@H](OC(=O)c1ccc(C(F)F)cc1F)c1ccc(C#N)cc1 1531747161 FSIUBKHZTLWKEG-SNVBAGLBSA-N 319.282 4.553 30 20 DJED C[C@@H](c1ccccc1)c1ccc(Oc2ncccc2C#N)cc1 1559100379 OCGREBNAJRSVNS-HNNXBMFYSA-N 300.361 4.897 30 20 DJED Cc1oc(C(C)(C)C)cc1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1598327724 SUXSUKKKSBNSKR-ZDUSSCGKSA-N 324.424 4.590 30 20 DJED CCCN(Cc1ccc(C#N)s1)Cc1c(F)cccc1Cl 1615322321 KNUAQGYXSKWLCW-UHFFFAOYSA-N 322.836 4.824 30 20 DJED N#Cc1ccc(C2CCN([C@@H]3CCc4ccc(F)cc43)CC2)cc1 1620623341 SXZPKLIEGGWASC-OAQYLSRUSA-N 320.411 4.564 30 20 DJED CCN(C/C=C/c1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 1621174312 VSCMRJVHSAWFMX-APHBUQMISA-N 308.400 4.794 30 20 DJED Cc1nc(SCCc2ccc(C#N)cc2)[nH]c1-c1ccccc1 1652788128 HZBPAURUSLFYOI-UHFFFAOYSA-N 319.433 4.592 30 20 DJED O=C(O)c1ccc(NN=C2CCCCCCCCC2)cc1F 1776077072 TZBHUFSATSKBCC-UHFFFAOYSA-N 306.381 4.816 30 20 DJED N#CCc1ccc(NC(=O)CCCCCc2cccs2)cc1 67135381 SYVHUBXUPUFRHQ-UHFFFAOYSA-N 312.438 4.556 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)c1ccccc1 123741347 WBMOWEAEDJPLJF-GJZGRUSLSA-N 324.449 4.681 30 20 DJED N#C[C@@H](NC(=O)CC/C=C/c1ccccc1)c1ccccc1Cl 172353398 IRPIWJIWCSOZSV-YDMXYTAQSA-N 324.811 4.514 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1cc(NC(=O)CCC)ccc1Cl 189072228 CRFWQIJOGGIKFV-KRWDZBQOSA-N 322.836 4.619 30 20 DJED COc1cccc(/C=C\C(=O)c2ccc(N3CCCCC3)cc2)c1 210428073 UMOWCZDMSYFBQO-JYRVWZFOSA-N 321.420 4.582 30 20 DJED N#Cc1csc(CNCC(c2ccccc2)c2ccccc2)c1 237849573 DNAYRFZPZPBZQR-UHFFFAOYSA-N 318.445 4.541 30 20 DJED C#Cc1cccc(NC(=O)C2(c3cccs3)CCCCC2)c1 303933105 XNFCREFSPPHQCF-UHFFFAOYSA-N 309.434 4.570 30 20 DJED O/C(Cc1noc2ccccc12)=N/C[C@@H]1C[C@H]1C1CCCCC1 329359638 XPKWQGNONMSWGQ-HOCLYGCPSA-N 312.413 4.543 30 20 DJED C=CCOc1cccc(NC(=O)N(C)Cc2cccc(C)c2C)c1 432758196 MKZLOPBQLKLBFL-UHFFFAOYSA-N 324.424 4.532 30 20 DJED CN(Cc1ccccc1N[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 435052557 IJUHSPHDVLYKCQ-MJGOQNOKSA-N 319.452 4.817 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc(OC(C)C)c(C)c1 438442956 DNHSNFGAQNFJHA-UHFFFAOYSA-N 318.461 4.992 30 20 DJED C[C@@]1(NCc2ccc(C#N)cc2Cl)CCCc2ccccc21 439416569 BIZFZLKPSWLTMK-LJQANCHMSA-N 310.828 4.553 30 20 DJED C=CCCCC[C@@H](C)N[C@H](C)c1nc(-c2ccncc2)cs1 449221812 HHYBBVJCAOYXSC-HUUCEWRRSA-N 315.486 4.991 30 20 DJED Cc1ccc([C@@H](NCc2ccc(C#N)c(F)c2)C2CCCC2)o1 453387937 QEQVRFYQVKSPJA-IBGZPJMESA-N 312.388 4.620 30 20 DJED C=CCC(CC=C)C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 467854810 UDGYQXMZNTZQME-FQEVSTJZSA-N 323.411 4.800 30 20 DJED CCC(CC)N(C(=O)c1ccc(C#N)s1)c1cccc(C)c1 471461212 WLAQOIKRDNELMM-UHFFFAOYSA-N 312.438 4.764 30 20 DJED CC(C)(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C1CC1 496532792 FPCYKWFMNPHOSF-UHFFFAOYSA-N 320.392 4.725 30 20 DJED CCCCC1CCC(C(=O)N(C)Cc2ccc(C#N)cc2)CC1 497489385 GMILLYGYCIRFTC-UHFFFAOYSA-N 312.457 4.513 30 20 DJED C=CCN(Cc1cc(C#N)cs1)Cc1ccc(Cl)s1 506100588 DOXGDNLGFJCZIK-UHFFFAOYSA-N 308.859 4.523 30 20 DJED CCC(CC)CN(CCC#N)Cc1csc(C(C)(C)C)n1 513717842 SGKSPVVNJFMYSV-UHFFFAOYSA-N 307.507 4.592 30 20 DJED C=CCCCS[C@H](C)C(=O)N[C@H](CCC)c1ccccc1 522756706 DEFFMOOXEZJQCG-NVXWUHKLSA-N 305.487 4.732 30 20 DJED C[C@H](NC(=O)CCC1CC1)c1ccc(-c2cccc(C#N)c2)cc1 541069774 KTPXZPAUVJIMON-HNNXBMFYSA-N 318.420 4.593 30 20 DJED CC(C)Oc1c(Cl)cccc1NCc1cccc(C#N)c1F 541305205 NTHDAEPXXUZUCI-UHFFFAOYSA-N 318.779 4.750 30 20 DJED CCCCSc1ccc(Cl)cc1C(=O)N[C@H](C#N)CCC 542528761 UZKSJICOWVMZOS-ZDUSSCGKSA-N 324.877 4.654 30 20 DJED C=CCC(C)(C)C(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 554266684 XQDAMMJJIJLOAC-OAHLLOKOSA-N 323.889 4.635 30 20 DJED C=C[C@@H]1CCCCN1C(=O)c1sc(C2CCCCC2)nc1C 582462303 RMZZOQGJRJRVTO-OAHLLOKOSA-N 318.486 4.680 30 20 DJED C[C@H](C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(C)(C)C 609651888 OZYMWHMEPQILNJ-CQSZACIVSA-N 322.408 4.971 30 20 DJED Cc1ccc(SCc2nnc(-c3cccc(C#N)c3)o2)c(C)c1 610217030 GLBJRPHZGYSXDW-UHFFFAOYSA-N 321.405 4.517 30 20 DJED Cc1ccc(C)c(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c1 611093192 JJGNZJKYHQRKIW-UHFFFAOYSA-N 319.191 4.734 30 20 DJED C[C@@H](Nc1ccccc1N1C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 619202888 ONAKARPWLGCTGS-AYBZRNKSSA-N 317.436 4.720 30 20 DJED C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 619746674 GLXSJSOFIOOVSK-NSHDSACASA-N 305.208 4.716 30 20 DJED CCCCCCCCCN(C)C(=O)/C=C\c1cnc(C)s1 732734386 FSHDGXYHKOCECB-QXMHVHEDSA-N 308.491 4.674 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(SC)cc2)cc1Cl 741470705 HHVPGXULKVFSMO-OQFOIZHKSA-N 318.825 4.967 30 20 DJED COCc1cccc(/C=C\C(=O)c2ccc(C(F)(F)F)cc2)c1 742433134 QLKWGKXVMZJIRM-YHYXMXQVSA-N 320.310 4.748 30 20 DJED CC(C)=C[C@@H]1[C@@H](C(=O)[C@H](C#N)c2nc(C(C)C)cs2)C1(C)C 747196193 IXBLDMFSCHKGES-GUTXKFCHSA-N 316.470 4.681 30 20 DJED C[C@H](OC(=O)[C@@H](C)c1ccc(Cl)s1)c1ccc(C#N)cc1 750204743 LFDZNILTHSXUBT-QWRGUYRKSA-N 319.813 4.681 30 20 DJED CC#CCCNC(=O)Nc1ccccc1SCc1ccccc1 755534194 JMCHDUGWSOEMNP-UHFFFAOYSA-N 324.449 4.514 30 20 DJED C=C[C@@H](CC(=O)N(CCc1ccccc1)C1CC1)c1ccccc1 758818473 CCFHEZIKTRSXFG-IBGZPJMESA-N 319.448 4.580 30 20 DJED C#CCOc1ccc([C@H](C)N[C@@H](c2cccs2)C2CC2)cc1 764741053 CLKGVUPRFVIOQK-IFXJQAMLSA-N 311.450 4.562 30 20 DJED FC(F)(F)Sc1ccc(C=Nn2cnc3ccccc32)cc1 767244437 XLYBMKVTZNSGOQ-UHFFFAOYSA-N 321.327 4.530 30 20 DJED C#CCCCCc1nc(C(c2ccccc2)c2ccccc2)no1 773185223 SGLINOIVQWAURE-UHFFFAOYSA-N 316.404 4.596 30 20 DJED C[C@H](NCC1(C)CCCCCC1)c1ccc(OCC#N)cc1 776309477 JWDWYSBEOCYTCL-INIZCTEOSA-N 300.446 4.600 30 20 DJED C#CCCCCN[C@@H](CSC)c1ccc(C(F)(F)F)cc1 781906411 CPKHBJIZDORMRG-HNNXBMFYSA-N 315.404 4.503 30 20 DJED C[C@H](C#N)Oc1ccccc1N[C@H]1CC[C@](C)(c2ccccc2)C1 783291806 WRQZZEIHHIUHDR-MMOPVJDHSA-N 320.436 4.900 30 20 DJED Cc1cc2cc(C(=O)/C=C/c3ccnn3C(C)C)oc2cc1C 794941252 MJAPIAKMVAQCGA-AATRIKPKSA-N 308.381 4.723 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)C(C2CCC2)C2CCC2)n1 797093170 DSGFUDNMZRXXDO-CQSZACIVSA-N 316.470 4.659 30 20 DJED COc1ccc2cc([C@@H](C)SCCO[C@@H](C)C#N)ccc2c1 802750730 CFMXEWKAIGHQGM-UONOGXRCSA-N 315.438 4.571 30 20 DJED C#CC[C@@H](NC1CC(c2cc(F)cc(F)c2)C1)c1ccccc1 809629277 KHIOTZLDKPIKAV-RRWXTXHCSA-N 311.375 4.565 30 20 DJED COCc1ccccc1/C=C(\C)C=NN[C@@H](C)c1ccccc1 814220336 WCOYCFHBODEDMD-PLPKKDBZSA-N 308.425 4.573 30 20 DJED CCCCCCCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 831803881 OSAOBTCNOJRRAS-UHFFFAOYSA-N 313.445 4.788 30 20 DJED Fc1cccc(C2CC(=NNc3cc(C(F)(F)F)ccn3)C2)c1 834984660 XLJKLBHLXFOKSD-UHFFFAOYSA-N 323.293 4.585 30 20 DJED C#CCC1(C(=O)Nc2ccc(-c3ncco3)cc2C)CCCCC1 848118211 LELOTQOKYWLWLK-UHFFFAOYSA-N 322.408 4.562 30 20 DJED C=CCCCCC[C@@H](C)N[C@H](C(=O)O)c1cccc(C)c1C 901854191 OFERMMQMCQUCHW-QAPCUYQASA-N 303.446 4.544 30 20 DJED CCCCOc1ccc(C(=O)/C=C\c2ccsc2)cc1OC 915990105 JXCNZXUDWKSHLE-ALCCZGGFSA-N 316.422 4.832 30 20 DJED CN(C(=O)CC1CCC(C)(C)CC1)c1cc(Cl)ccc1C#N 1126780707 RVYQHGKAVQXLMT-UHFFFAOYSA-N 318.848 4.781 30 20 DJED CCCC[C@H](CC)CC(=O)Nc1cc(C#N)c2ccccc2n1 1128831872 HUZXCIOPUTVNCE-AWEZNQCLSA-N 309.413 4.651 30 20 DJED N#CCC1(CN(Cc2ccccc2)Cc2ccccc2F)CC1 1167226797 BUWQCJSORXKGFN-UHFFFAOYSA-N 308.400 4.522 30 20 DJED CC1(C)CCCN(CCc2cc(Cl)cc(Cl)c2)[C@H]1C#N 1170014148 QCUBOFIEBWLXRA-HNNXBMFYSA-N 311.256 4.550 30 20 DJED CCCN(Cc1ccc(OC)cc1)[C@H](C)c1cccc(C#N)c1 1175322730 DGCQYQUEEUBMPZ-MRXNPFEDSA-N 308.425 4.540 30 20 DJED CC[C@@H]1CCC[C@H]1CNc1c(Br)cccc1C#N 1186478892 IRMOHBNBCKPAST-YPMHNXCESA-N 307.235 4.559 30 20 DJED CC(C)CC[C@@H](NCc1ccc(OCC#N)cc1)C(C)(C)C 1192594269 HBRWTWVVGGAFSH-GOSISDBHSA-N 302.462 4.529 30 20 DJED C=C(CNC(=O)Nc1c(CC)cc(C)cc1CC)c1ccccc1 1217194401 GIKBCPOSMUPCSZ-UHFFFAOYSA-N 322.452 4.955 30 20 DJED CC(C)c1ccc2c(c1)[C@H](Nc1cccc(CC#N)n1)CCC2 1338243399 IRAZHRYAJOUFBM-LJQANCHMSA-N 305.425 4.761 30 20 DJED C=C[C@H](C(=O)Nc1c(C)cc(OC)c(C)c1C)c1ccccc1 1348633138 XKYMMHDWFWABAN-KRWDZBQOSA-N 309.409 4.529 30 20 DJED N#Cc1c(NC(=O)CCC2CCCCCC2)sc2c1CCC2 1349773933 UECAQBQIKSMDOW-UHFFFAOYSA-N 316.470 4.798 30 20 DJED CCC[C@@H](CC1CCCC1)C(=O)Nc1ccc(C#N)cc1OC 1435815641 WUINOJPAFUUDFL-INIZCTEOSA-N 314.429 4.502 30 20 DJED Cc1nc(N[C@@H]2CCCc3ccc(F)cc32)c(Cl)cc1C#N 1472774592 FWXPJHHNTPYJEU-MRXNPFEDSA-N 315.779 4.544 30 20 DJED N#Cc1ccc2c(c1)N(CCCc1cccc3ccccc13)CC2 1616942033 BFOXQBMZJJXNLF-UHFFFAOYSA-N 312.416 4.707 30 20 DJED Cc1cc(C#N)ccc1CN1CCc2ccc(C(C)C)cc2C1 1620102578 FXZBYWLWZSDELN-UHFFFAOYSA-N 304.437 4.548 30 20 DJED C=C(Br)CN(C)Cc1ccccc1-c1ccccc1 1641656712 MQTWGLUEFGGAOK-UHFFFAOYSA-N 316.242 4.694 30 20 DJED Cc1ccccc1SC[C@@H](C)CN[C@@H](C)c1cccc(C#N)c1 1644465422 LYUBEDBCPOZCMB-RDJZCZTQSA-N 324.493 4.946 30 20 DJED Cc1ccnc(N[C@@H](CC(C)(C)C)c2ccc(F)cc2)c1C#N 1650638926 NDGAEIYRTKTYJS-KRWDZBQOSA-N 311.404 4.990 30 20 DJED N#Cc1c(F)cccc1SC1CCC(C(F)(F)F)CC1 1651845629 ZMTOBEONKAJKSE-UHFFFAOYSA-N 303.324 4.911 30 20 DJED C[C@@H]1C[C@H]1[C@H](Nc1ncc(C#N)cc1F)c1ccc(Cl)cc1 1655135844 NGASGZOLXJICIF-QSGSBWRWSA-N 315.779 4.555 30 20 DJED CC(=NNc1cccc(C(=O)O)c1)[C@H](C)c1ccc(Cl)cc1 1776037302 WKDZBLAJHALYOJ-NSHDSACASA-N 316.788 4.630 30 20 DJED COc1cc(C(=O)O)ccc1NN=CC[C@H](C)CCC=C(C)C 1776049721 VNSRBWQFUOSGPG-CQSZACIVSA-N 318.417 4.564 30 20 DJED CC(C)C(=NNc1ccc(C(=O)O)c(F)c1)C1CCCCC1 1776074073 GMKMUPPYMLRHEB-UHFFFAOYSA-N 306.381 4.528 30 20 DJED C=CC(C)(C)CCCNc1nc2ccccc2c(C)c1C(=O)O 1776147430 ZNJOBTBOXDQBPR-UHFFFAOYSA-N 312.413 4.646 30 20 DJED CCCOc1cc(/C=C2\CCc3ccccc3C2=O)ccc1OC 6339747 PVDMLWDOKGDVTI-GHRIWEEISA-N 322.404 4.697 30 20 DJED C=CCn1c(SCc2ccc(C#N)cc2F)nc2ccccc21 12046274 WKMSRWGSXXAPKC-UHFFFAOYSA-N 323.396 4.525 30 20 DJED Cc1c(Cl)cccc1N[C@@H](C)c1ccc(OCC#N)cc1 37196599 SUIKUDXYTXVXGF-ZDUSSCGKSA-N 300.789 4.724 30 20 DJED N#Cc1ccc(OCc2ncc(-c3cccs3)o2)c(Cl)c1 67428851 GCLRPDHHTHLONM-UHFFFAOYSA-N 316.769 4.507 30 20 DJED CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC(C#N)CC1 104971474 WACLGTYKGJKWHR-UHFFFAOYSA-N 313.445 4.701 30 20 DJED CC(C)(C#N)C(=O)Nc1cccc(CSCc2ccccc2)c1 116074525 YUHTWKAVNLDJLI-UHFFFAOYSA-N 324.449 4.608 30 20 DJED CCCCCCCCCC(=O)N1CCCC[C@H]1c1ncc[nH]1 120246804 GISMMNZVGFYHMR-INIZCTEOSA-N 305.466 4.604 30 20 DJED N#CCC[C@@H](NC1CCC(C(F)(F)F)CC1)c1ccccc1 123614038 XZPXUFDZSVHVCA-UYSNPLJNSA-N 310.363 4.742 30 20 DJED Cc1ccc(C)c([C@@H]2CCCN2C(=O)Nc2ccc(C#N)cc2)c1 127756152 GRGDZKFICWIOQS-IBGZPJMESA-N 319.408 4.544 30 20 DJED C#Cc1cccc(N[C@@H](C)CC(=O)Nc2ccccc2C(C)C)c1 188074244 UFBPXYJUPLNNJJ-INIZCTEOSA-N 320.436 4.621 30 20 DJED N#Cc1cc(CSc2ccc(Br)cc2)ccc1F 236151394 OMGCFUMCZAKIHU-UHFFFAOYSA-N 322.202 4.752 30 20 DJED CCc1ccc([C@H](C)C(=O)Nc2ccc(C#N)cc2Cl)cc1 430372159 ZAZUMMOQTQTEKT-LBPRGKRZSA-N 312.800 4.516 30 20 DJED C=CCC(C)(C)CNC(=O)N(C)[C@H](C)c1ccccc1Cl 432571588 ANPVVYDYZVPMEN-CYBMUJFWSA-N 308.853 4.645 30 20 DJED C=CCC[C@H](NC(=O)C1=CCCC1)c1ccc(C(F)(F)F)cc1 441568210 QRGKLOKDQMMCKX-INIZCTEOSA-N 323.358 4.939 30 20 DJED N#C[C@H]1CC[C@H](Nc2cccc(CSC3CCCC3)c2)C1 442849262 BQGXMOLDQHEBDF-YOEHRIQHSA-N 300.471 4.967 30 20 DJED C=C(C)[C@H](NCCCCC(C)(C)C#N)c1ccc(F)c(F)c1 444667516 AGJVVPDLVTXLTM-KRWDZBQOSA-N 306.400 4.892 30 20 DJED CC[C@@H](Nc1ccccc1OCCCOC)c1ccc(C#N)cc1 447597542 SPFKLTPNJWUNNF-GOSISDBHSA-N 324.424 4.537 30 20 DJED C=CCOc1ccc(C(=O)Nc2c(Cl)ccc(F)c2C)cc1 448515628 GCMDTKNVPASJFL-UHFFFAOYSA-N 319.763 4.605 30 20 DJED C=CCCN(C)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 466416802 URSDIAGSTVVHTO-UHFFFAOYSA-N 314.360 4.658 30 20 DJED CCSc1ccc([C@@H](C)NCCc2cccc(C#N)c2)cc1 467432986 ODJLRSAEAQSHKE-OAHLLOKOSA-N 310.466 4.564 30 20 DJED Cc1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)ccc1Cl 468839186 DZMPGERUSWXAEM-UHFFFAOYSA-N 312.800 4.702 30 20 DJED N#CC[C@H](CC(=O)N(CC1CCCCC1)C1CC1)c1ccccc1 475014649 IPZTUKWKCOBDQD-LJQANCHMSA-N 324.468 4.645 30 20 DJED C=CCCC1(C(=O)N(C)CCc2cccc3ccccc23)CC1 475446595 NBOJGHVBOATEQV-UHFFFAOYSA-N 307.437 4.587 30 20 DJED C=CCC[C@@H](Nc1ccc2c(c1)CCC(=O)N2CC1CC1)C1CC1 480669807 VBILWCRCTWVMPH-LJQANCHMSA-N 324.468 4.533 30 20 DJED N#Cc1cnccc1/C=C\c1cnc(-c2ccc(Cl)cc2)s1 504712328 OKYLDMFJUCUNAX-UTCJRWHESA-N 323.808 4.901 30 20 DJED CCC[C@@H](C)CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 505307638 HPJHYFSQBJNNPI-ZWNOBZJWSA-N 313.228 4.501 30 20 DJED N#Cc1ccc(SCc2ccn(C3CCCC3)n2)c(Cl)c1 532856345 HVIAWQCPBLJAAK-UHFFFAOYSA-N 317.845 4.816 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc(COC(C)C)cc1)c1ccccc1 533919846 ZCLGXMVBVNUETN-SFHVURJKSA-N 323.436 4.910 30 20 DJED C=C[C@@H](CC(=O)N[C@@H](C)c1cc(C)sc1C)c1ccccc1 534632139 OAGSKNOMJOOTJE-HOCLYGCPSA-N 313.466 4.902 30 20 DJED C=C[C@H](CC(=O)N1Cc2ccccc2C(C)(C)C1)c1ccccc1 536278351 MBBWKGASAWLDFO-QGZVFWFLSA-N 319.448 4.666 30 20 DJED C=CCCC[C@@H](C)NC(=O)c1ccccc1CCC(F)(F)F 540537271 FYWUHEUECOBCFF-CYBMUJFWSA-N 313.363 4.656 30 20 DJED C=C[C@@H](CC(=O)N1CC[C@@H](c2cccc(F)c2)C1)c1ccccc1 550584562 YZGPDJFJJFLWIB-QFBILLFUSA-N 323.411 4.502 30 20 DJED Cc1ccc2c(C(=O)Nc3scc(C)c3C#N)csc2c1 589034652 HWNFQLUYJWIKOX-UHFFFAOYSA-N 312.419 4.704 30 20 DJED N#Cc1cc(F)cc(N[C@H]2CCc3cc(F)c(Cl)cc32)c1 600850197 HTXKHCGEQMKOPH-INIZCTEOSA-N 304.727 4.589 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2NCc1csc2ccccc12 618743099 WOGXHUMFGKQYOT-SFHVURJKSA-N 304.418 4.550 30 20 DJED C=CCOc1ccc(C(=O)Nc2cccc(SC)c2C)cc1 678735971 MFROPFJRQXXBMK-UHFFFAOYSA-N 313.422 4.534 30 20 DJED C=CCCN(C)C(=O)c1ccc(Oc2ccccc2Cl)cc1 682438379 CPBOTFUJGGDYEI-UHFFFAOYSA-N 315.800 4.780 30 20 DJED Cc1ccsc1C(=O)/C=C\c1csc(Br)c1 733749718 VLDSLEFXLDFVRJ-IHWYPQMZSA-N 313.241 4.777 30 20 DJED CCOc1ccc(Cl)cc1C(=O)/C=C/c1cccnc1Cl 735979016 UCWWLUJLFDUDRG-FNORWQNLSA-N 322.191 4.683 30 20 DJED C[C@H]1CN(c2ccc(C#N)cc2C(F)(F)F)Cc2ccccc21 737396120 PFCVNDUJHLBYEO-LBPRGKRZSA-N 316.326 4.701 30 20 DJED C=CCCCCCN(C)C(=S)Nc1ccc(C#N)c(Cl)c1 739457768 KUAPXYYAARVHAF-UHFFFAOYSA-N 321.877 4.587 30 20 DJED C=CCCCNc1ccc(OCc2cccc(C#N)c2)c(F)c1 740874274 NWFNKWOQQGYOHC-UHFFFAOYSA-N 310.372 4.654 30 20 DJED Cc1cc(C(=O)/C=C/c2cnn(-c3ccccc3)c2)cc(C)c1F 741467485 OQISXTZRSBQMIO-CMDGGOBGSA-N 320.367 4.524 30 20 DJED Cc1ccc(C(=O)/C=C/c2cc(C)c(C)cc2OC(F)F)o1 742432264 UYCCAILMHLBDSX-AATRIKPKSA-N 306.308 4.702 30 20 DJED N#CCOc1ccc(CN2CCCC3(CCCCCC3)C2)cc1 743860151 SKNQBKDXSINXFF-UHFFFAOYSA-N 312.457 4.525 30 20 DJED O=C(/C=C\c1cccc(-c2ccccn2)c1)c1ccc(F)cc1 747698878 OJEHDJFHIMOGQM-GHXNOFRVSA-N 303.336 4.784 30 20 DJED Cc1ccc2c(Cl)c(C(=O)O[C@@H](C#N)C(C)C)sc2c1 747743983 SHXYCYCECHZTPP-NSHDSACASA-N 307.802 4.568 30 20 DJED O=C1/C(=C\c2cccs2)COc2c(Cl)ccc(Cl)c21 748583159 CSJYCNBMGDUJFE-VURMDHGXSA-N 311.189 4.714 30 20 DJED CCCCCCCCCN(C)C(=O)[C@@H](C)c1c(C)noc1C 749796342 SFYDDTZTGKHMBO-AWEZNQCLSA-N 308.466 4.604 30 20 DJED N#Cc1ccc(C(=O)Oc2ccccc2-c2ccccc2)s1 750684012 LCBIMQNNTHNTBY-UHFFFAOYSA-N 305.358 4.506 30 20 DJED FC(F)(F)c1ccc(CNN=Cc2ccccc2C2CC2)cc1 751130148 DWQDDABQHATEGZ-UHFFFAOYSA-N 318.342 4.707 30 20 DJED N#Cc1cc(F)ccc1N[C@H]1CC2(CCC2)Oc2ccccc21 757789368 PTHYWVOMYIRYOH-KRWDZBQOSA-N 308.356 4.556 30 20 DJED C=CCC(CC=C)C(=O)O[C@@H](C)c1ncc(-c2ccccc2)o1 759012512 WXHBHSQJBAYCEV-AWEZNQCLSA-N 311.381 4.714 30 20 DJED CSc1ccc(C(=O)/C=C/c2cccc(O)c2)c(Cl)c1 765614430 VXHPKRRVJOQKQO-VMPITWQZSA-N 304.798 4.664 30 20 DJED COc1cccc2cc(C(=O)/C=C\c3ccc(C#N)c(C)c3)oc12 766490697 KEDZZSMZYYJDRR-CLFYSBASSA-N 317.344 4.518 30 20 DJED Cc1cccc(C(C)(C)CN[C@H](C)c2ccc(OCC#N)cc2)c1 776159041 HLAGJLWXZGJVDT-QGZVFWFLSA-N 322.452 4.526 30 20 DJED C=CCC[C@H](Nc1ccc(OCC2CCOCC2)cc1)C1CC1 777036487 IHXBWOBCVVEPDI-FQEVSTJZSA-N 315.457 4.649 30 20 DJED Cn1cc(C(=O)/C=C\c2ccc3cnccc3c2)c2ccccc21 782324800 HBMKMNQHCIZFPF-CLFYSBASSA-N 312.372 4.623 30 20 DJED C[C@]1(c2ccccc2)CC[C@@H](Nc2ccc(F)cc2OCC#N)C1 783661149 OIRQURCORNNQPK-XLIONFOSSA-N 324.399 4.650 30 20 DJED CSc1ccccc1[C@@H](C)Nc1nc(Cl)c(C#N)s1 804691991 GZLTZNLCILRMIJ-MRVPVSSYSA-N 309.847 4.563 30 20 DJED C[C@H]1/C(=C/c2ccc(F)c(C#N)c2Cl)C(=O)c2ccccc21 809156352 LDXBXLVSMIJIJE-DOQDJBIESA-N 311.743 4.734 30 20 DJED C[C@@H]1/C(=C/c2coc(-c3ccccc3)n2)C(=O)c2ccccc21 809159321 NJXXVGJWBSXGDF-FHNWIRHTSA-N 301.345 4.725 30 20 DJED C#Cc1ccc(CN[C@@H](c2ccc(F)cc2)c2cccs2)cc1 809601423 ACRAPXPJBSFBEI-FQEVSTJZSA-N 321.420 4.748 30 20 DJED C[C@@H]1CCCC[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 819947025 SGRWUGBTQQKELZ-FVQBIDKESA-N 324.449 4.813 30 20 DJED C#CC1CCN(C(=O)Nc2ccc(-c3ccccc3)c(C)c2)CC1 831667433 XMRKKUFYZAJGSV-UHFFFAOYSA-N 318.420 4.539 30 20 DJED Cc1c(CSC(C)C)cccc1NC(=O)C#CC(C)(C)C 837438195 OLSLSKGAKSHFJZ-UHFFFAOYSA-N 303.471 4.625 30 20 DJED CCCCCC[C@](C)(CCC)C(=O)N1CCC[C@H](CC#N)C1 855254318 IMTMNAGGPOWWHN-MJGOQNOKSA-N 306.494 4.915 30 20 DJED O=[N+]([O-])c1ccccc1C=NN(c1ccccc1)c1ccccc1 916249618 CDJVNNTXNVSNJE-UHFFFAOYSA-N 317.348 4.767 30 20 DJED CC(=NNc1ccc(C)cc1)c1ccccc1Br 916250830 ZBLYONMXYRDPQI-UHFFFAOYSA-N 303.203 4.594 30 20 DJED Fc1cc(F)cc(NN=C(CC(F)(F)F)c2ccccc2)c1 920375389 XHTZQCNKTYRECF-UHFFFAOYSA-N 314.257 4.733 30 20 DJED CCc1oc2ccccc2c1C(=O)Nc1sc(C)c(C)c1C#N 1116383178 OXRMHRFAZCPJOR-UHFFFAOYSA-N 324.405 4.798 30 20 DJED C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCCC2)C(C)(C)C 1125266043 LUDUSZIQLOVEIC-GFCCVEGCSA-N 318.486 4.899 30 20 DJED CC[C@@H](OC(=O)c1ccc(C#N)o1)c1ccc(Cl)c(Cl)c1 1127386347 FFCHKCQYBSCUEN-CYBMUJFWSA-N 324.163 4.766 30 20 DJED C[C@H]1CCCCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 1169394921 ASSYJAIVHIKYLS-KRWDZBQOSA-N 304.437 4.847 30 20 DJED CC(C)(CCCc1ccccc1)CNc1c(C#N)cccc1C#N 1185405151 ZIJCKMQADHCAFZ-UHFFFAOYSA-N 317.436 4.891 30 20 DJED C[C@@H](Nc1cccc(CC#N)n1)c1cc(Cl)ccc1Cl 1255266641 CVNKPFWDACBYIC-SNVBAGLBSA-N 306.196 4.628 30 20 DJED C=C(Cl)CN(CCC)[C@H](C)c1ccccc1Br 1307417371 BSQQQUIGHIXSOG-GFCCVEGCSA-N 316.670 4.975 30 20 DJED C[C@@H](SCCCC(C)(C)C#N)c1nccn1-c1ccccc1 1323440381 OBUKFNYMEAUPGB-OAHLLOKOSA-N 313.470 4.996 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)Nc1ccc(C#N)cc1OC 1458658269 MIMASCLWQMWDEC-MRXNPFEDSA-N 314.429 4.502 30 20 DJED CC(C)CCC(=O)Nc1sc2c(c1C#N)[C@H](C)[C@H](C)CC2 1524020606 IENXVZIQPHMNAZ-VXGBXAGGSA-N 304.459 4.680 30 20 DJED C[C@H](CC(=O)O[C@@H]1CCC[C@H](C#N)C1)Cc1ccc(Cl)cc1 1535479630 VLNQAPOLJJAUJS-JLJPHGGASA-N 319.832 4.534 30 20 DJED CC(C)[C@@H]1C[C@@H](OC(=O)c2ccc(C#N)cc2)c2ccccc21 1543567626 KIFMJFHAHVTFKU-RBUKOAKNSA-N 305.377 4.600 30 20 DJED CCCN(CC1(CC#N)CC1)[C@H]1C[C@@H](OCC)C12CCCCC2 1559573730 LDUNOVUYIHLENV-ZWKOTPCHSA-N 318.505 4.520 30 20 DJED C[C@H]1C[C@H](CCNc2c(C#N)nnc3ccccc23)CC(C)(C)C1 1612322216 YKRNOZDTXLPBPS-GJZGRUSLSA-N 322.456 4.766 30 20 DJED CC[C@H](C)[C@H](C)NCc1cccc(OCc2ccccc2C#N)c1 1620805076 IIBFZJMILWMGSN-IRXDYDNUSA-N 322.452 4.661 30 20 DJED N#Cc1ccccc1Oc1ccc(Nc2nccs2)cc1F 1639539350 GVIQAEALLPLPAO-UHFFFAOYSA-N 311.341 4.690 30 20 DJED Cc1nc(N[C@H](C)c2ccc3c(c2)CCC3)c(Cl)cc1C#N 1650932694 OMCRPQCYKIXDFB-LLVKDONJSA-N 311.816 4.577 30 20 DJED CC(C)(CNCc1ccc(C#N)cc1)c1ccc2ccccc2c1 1658390287 FLALEGWRFWSCFJ-UHFFFAOYSA-N 314.432 4.779 30 20 DJED C=C(CNC(=O)Nc1cccc(O[C@H](C)CC)c1)c1ccccc1 1662215079 OEDNDNBMNRUISF-MRXNPFEDSA-N 324.424 4.699 30 20 DJED Cc1ccsc1[C@H](C)Nc1cccc(OCCCC#N)c1 70091672 NPVHVUSRVMOLSE-AWEZNQCLSA-N 300.427 4.912 30 20 DJED N#C[C@H](C(=O)CC1CCC(c2ccccc2)CC1)c1ccccn1 108624486 ZZHBKZYPCUTCMB-KVZIAJEVSA-N 318.420 4.622 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cnc2ccsc2c1 126490562 AZKQZWXCBOQPGH-OLZOCXBDSA-N 307.422 4.580 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)CC2(C)CCCCC2)n1 127608665 ZIXNKUWFDCQIRF-ZDUSSCGKSA-N 304.459 4.803 30 20 DJED N#CCCCCSCc1coc(-c2ccc(F)c(F)c2)n1 161720581 KZOQHOKDKAWFJX-UHFFFAOYSA-N 308.353 4.547 30 20 DJED C=CC[C@H](C)N[C@H](C)c1ccc(SC(F)F)c(OC)c1 180952629 KSSJHXNGBJQCMP-WDEREUQCSA-N 301.402 4.625 30 20 DJED C=CCC[C@@H](Nc1ccc(C(F)(F)F)nn1)c1ccccc1 301971821 STGQNOQDIMSNFP-CYBMUJFWSA-N 307.319 4.615 30 20 DJED CCOc1cccc(CNc2ccc(C#N)cc2C(F)(F)F)c1 319998053 LDCSQFLQIPDPJE-UHFFFAOYSA-N 320.314 4.588 30 20 DJED Cc1nc(CC2CC2)oc1/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 330004807 BKVUDRIWPNUKOR-ARFHVFGLSA-N 316.445 4.599 30 20 DJED Cc1nc(N[C@@H]2CCSc3ccccc32)c(Cl)cc1C#N 461720813 BCZZJLMRGSSXGL-CQSZACIVSA-N 315.829 4.564 30 20 DJED Cc1cc(C)c(C#N)c(SCc2cc(C)nc3ccccc23)n1 509969709 OJKVSFAPQRYJGZ-UHFFFAOYSA-N 319.433 4.719 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)N[C@H](C)c1ccc(C#N)cc1 510040543 KUERABAKQSQEGB-QAPCUYQASA-N 312.457 4.732 30 20 DJED CC(C)Cc1cccc([C@@H](C)C(=O)Nc2sccc2C#N)c1 517256710 ILQHHUBWFOCRPT-CYBMUJFWSA-N 312.438 4.560 30 20 DJED C=CCN(Cc1ncc(C(C)C)s1)Cc1ccccc1F 544347923 BWKPASGJDHHXGY-UHFFFAOYSA-N 304.434 4.594 30 20 DJED N#CC1(c2ccc(-c3ccccc3C(=O)O)cc2)CCCCC1 582847145 BNWOMEHVLWTQLE-UHFFFAOYSA-N 305.377 4.777 30 20 DJED CCCCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604461334 BQCMJZMNFPDFAX-UHFFFAOYSA-N 323.396 4.662 30 20 DJED C=CC[C@H](C)NC(=O)c1sc2cccc(Cl)c2c1Cl 604880949 FCZGOFNQFKTCKE-QMMMGPOBSA-N 314.237 4.903 30 20 DJED C=CCCCCCN(C)C(=O)Nc1cccc2ccc(C)nc12 606946766 MZGMWSXFYSKUMM-UHFFFAOYSA-N 311.429 4.753 30 20 DJED CC(CCc1ccccc1F)=NNc1nc2ccccc2s1 734092479 PRGCJKOBAYXBMD-UHFFFAOYSA-N 313.401 4.856 30 20 DJED Cn1cc(C(=O)/C=C/c2cc3cc(F)ccc3o2)c2ccccc21 741845236 XAZXEZNGTFTGBS-BQYQJAHWSA-N 319.335 4.960 30 20 DJED CCCCCOc1ccc(C(=O)/C=C\c2scnc2C)cc1 742430624 AXFSWQRSIXUAKF-KHPPLWFESA-N 315.438 4.917 30 20 DJED C/C=C/C=C\C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 742961479 KTRZWPHZAYQZAI-OQIXSKIXSA-N 322.339 4.560 30 20 DJED CC(CC(C)(C)c1ccccc1)=NNc1oc(C(C)C)nc1C#N 745613958 STBCAKVJZDBZGL-UHFFFAOYSA-N 324.428 4.825 30 20 DJED C=CC[C@@H](NC(=O)N(CC(C)C)C(CC)CC)c1ccncc1 748637227 YTRKQFFJPYNWAI-GOSISDBHSA-N 317.477 4.555 30 20 DJED CCSc1ccc(C(=O)/C=C/c2nc(Cl)cs2)cc1 759084775 XKVRYXLZLRLVCA-BQYQJAHWSA-N 309.843 4.805 30 20 DJED CCCC1(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)CC1 761049750 QNTYSTRRERFQAP-HNNXBMFYSA-N 324.449 4.875 30 20 DJED CC(CCCCO)=NNc1c(Cl)cc(Cl)cc1Cl 766679112 UFHFYIKCEDMNIO-UHFFFAOYSA-N 309.624 4.597 30 20 DJED O=C(/C=C/c1cccc(-c2cccnc2)c1)c1ccc(F)cc1 768481909 CCHVXKRQMKGUQW-IZZDOVSWSA-N 303.336 4.784 30 20 DJED Cc1ccc([C@@H]2CCC[C@H]2Nc2cccc(OCC#N)c2)cc1 768518995 LBFKRAHQMCENLG-VQTJNVASSA-N 306.409 4.646 30 20 DJED O=C1/C(=C\c2ccsc2Cl)CCc2ccc([N+](=O)[O-])cc21 773148820 HSRVTBKTCPIMOA-YFHOEESVSA-N 319.769 4.522 30 20 DJED C=CCC[C@H](N[C@@H]1CC[C@@H]2SCCS[C@@H]21)c1ccccc1 775414496 MVPSXBXRFPKIBA-XWTMOSNGSA-N 319.539 4.663 30 20 DJED COc1cc(N=Cc2cc(Cl)cc(Cl)c2O)ccc1F 780148079 DTGKJKQBUFCBIU-UHFFFAOYSA-N 314.143 4.597 30 20 DJED C#CCOc1ccc([C@H](C)N[C@@H](C)c2cc3ccccc3o2)cc1 786576823 XFVQNFDYCYJWIE-HOTGVXAUSA-N 319.404 4.857 30 20 DJED CCCCCCCCCC(=O)N1CCC(c2c[nH]nc2C)CC1 803636592 AOBMOMGDZSTNTK-UHFFFAOYSA-N 319.493 4.565 30 20 DJED CC(C)(C#N)[C@@H]1CCCC1=NNc1ccc(Br)cc1 814796541 YSPIOACKEGJVIC-CYBMUJFWSA-N 320.234 4.567 30 20 DJED CC(C)c1ccccc1C(=O)Nc1cccc(OCCCC#N)c1 822708349 PEBXAMLBQXOTLE-UHFFFAOYSA-N 322.408 4.745 30 20 DJED CCOc1cc(N=Cc2c(O)ccc3ccccc23)ccc1OC 915981346 QTRBDNJSFNFHRS-UHFFFAOYSA-N 321.376 4.703 30 20 DJED Oc1cccc(C=Nc2ccc(Oc3cccc(F)c3)cc2)c1O 917558732 WWOQYBMBCLRJRG-UHFFFAOYSA-N 323.323 4.780 30 20 DJED N#CC1(CCCCN2CCC(CC(F)(F)F)CC2)CCC1 930377126 UKICFVMZDLGBHI-UHFFFAOYSA-N 302.384 4.515 30 20 DJED C=C(C)CCC(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C 1121037347 GVQAQSGRORUOLO-UHFFFAOYSA-N 318.417 4.637 30 20 DJED CC(C)[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc(C#N)c(F)c1 1180623107 MTXSSZCTKQBJOZ-GHTZIAJQSA-N 322.427 4.747 30 20 DJED Cc1cc(CN2CCCC[C@H]2Cc2ccc(F)cc2)ccc1C#N 1204750010 RWJXQZZPQQXPAT-NRFANRHFSA-N 322.427 4.603 30 20 DJED CC[C@H](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C 1273945933 FGPDOVLGGCRSFD-CYDGBPFRSA-N 318.486 4.926 30 20 DJED CCC(C#N)(CC)C(=O)Nc1ccc2c(ccn2CC(C)C)c1 1356468354 PQAKUPFXXUBLSX-UHFFFAOYSA-N 311.429 4.566 30 20 DJED CCOc1cccc([C@@H](CC)OC(=O)c2ccc(C)c(C#N)c2)c1 1457290095 JXUMAVCLBCDVKJ-LJQANCHMSA-N 323.392 4.574 30 20 DJED CC(C)(C)N(Cc1ccc(F)cc1)Cc1ccc(F)c(C#N)c1 1459741845 AGKRPXVJJGHMEP-UHFFFAOYSA-N 314.379 4.637 30 20 DJED C=C(Br)CN1CCC[C@H]1CCC1CCCCC1 1473278132 DWJCRSQPDIVTOV-HNNXBMFYSA-N 300.284 4.720 30 20 DJED CCCC[C@@H]1CCC[C@H]1NCc1cc(Cl)ccc1OCC#N 1473356377 XGDQSPDNXHLZSV-RHSMWYFYSA-N 320.864 4.691 30 20 DJED Cc1ccc2c(C(=O)Nc3cccc(CC#N)c3)csc2c1 1525934683 WTMIHWNRVHPUHL-UHFFFAOYSA-N 306.390 4.528 30 20 DJED CCC(CC)Oc1ccc([C@@H](C)OC(=O)[C@@](C)(C#N)CC)cc1 1542060749 MPVPPPPWGJNXTE-AUUYWEPGSA-N 317.429 4.798 30 20 DJED CCN(Cc1cccc(C#N)c1F)c1cccc(C(F)(F)F)c1 1559934056 JEPOMIAZZSPHRQ-UHFFFAOYSA-N 322.305 4.743 30 20 DJED Cc1cc(C#N)cc(NCc2c(F)cccc2OC(F)(F)F)c1 1560504386 SKRCNWWAWVZLGC-UHFFFAOYSA-N 324.277 4.517 30 20 DJED C[C@@H]1N(C(=O)CC2(C#N)CCCCC2)c2ccccc2C1(C)C 1587370257 YGAPQNTZXYQQSE-HNNXBMFYSA-N 310.441 4.563 30 20 DJED CC(C)(C)C[C@H]1CCN(c2nc(C#N)c(Cl)s2)C1(C)C 1652041513 OIINLOPUIRCQJO-SNVBAGLBSA-N 311.882 4.709 30 20 DJED COc1cc(C#N)ccc1CN1CCC[C@@H]1CC1CCCCC1 1653252134 UGCCKEBCPCKJGV-LJQANCHMSA-N 312.457 4.502 30 20 DJED CC(C)CN(C[C@@H]1CCC2(CCCC2)O1)c1ccc(C#N)cc1 1657657772 UOYCRNXAODGCMZ-IBGZPJMESA-N 312.457 4.512 30 20 DJED CCCCCCCCCC[C@H](C)Nc1ncc(C(=O)O)c(C)n1 1776785161 GUQWTWLUEPEQJW-AWEZNQCLSA-N 321.465 4.814 30 20 DJED C[C@H](Nc1ccc(CC#N)cc1)c1ccc(Br)cc1 37071313 HLKZLEDCNPWCNV-LBPRGKRZSA-N 315.214 4.688 30 20 DJED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cc(F)ccc1F 90665586 QHUWTLOZQHLLTE-ACJLOTCBSA-N 300.352 4.660 30 20 DJED CCN(C(=O)c1ccc(SC)cc1)[C@@H](C)c1ccc(C#N)cc1 97174674 QSIRTLUTUPBINI-AWEZNQCLSA-N 324.449 4.503 30 20 DJED CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1cc(F)ccc1F 154324408 NTVGXAPEUVTREH-KZULUSFZSA-N 300.352 4.638 30 20 DJED Cc1ccc(NC(=O)C(C)C)cc1N[C@H](C)c1ccc(C#N)cc1 173920054 FEBLPQMEBGAOKL-OAHLLOKOSA-N 321.424 4.634 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@@H]1C=CCCC1 187771178 XYKKFFHJEMJCBA-LSDHHAIUSA-N 314.454 4.623 30 20 DJED C[C@@H]1CCC[C@@H](Nc2ccc(C#N)c(Br)c2)CC1 300573127 MKCWPJJYKDWTGN-DGCLKSJQSA-N 307.235 4.701 30 20 DJED C[C@@H](Nc1snc(Cl)c1C#N)c1ccc(F)cc1Cl 301287839 RNJCZONPIPTPEG-ZCFIWIBFSA-N 316.188 4.634 30 20 DJED C=C(C)CN(CC)C(=O)c1ccc(-c2ccc(C)cc2)cc1F 303277889 HVKVDYUUTOHEKM-UHFFFAOYSA-N 311.400 4.839 30 20 DJED N#CCC[C@H](Nc1nccc2ccc(F)cc12)c1ccccc1 354889094 RTISCFQINODQMT-SFHVURJKSA-N 305.356 4.831 30 20 DJED N#CCC(=O)Nc1ccc(Cl)cc1-c1cccc(Cl)c1 363931570 OIXVQOAWWOWOOC-UHFFFAOYSA-N 305.164 4.513 30 20 DJED C[C@@H]1CC[C@H](C(=O)Nc2ccccc2SCCC#N)C[C@H]1C 448936167 DWEVYMDWLZLCLA-KFWWJZLASA-N 316.470 4.703 30 20 DJED C[C@@H](NC1CCC(C)(C#N)CC1)c1ccc(C(F)(F)F)cc1 449077793 YUDDXNCSXXXEMY-UWTIGNOOSA-N 310.363 4.828 30 20 DJED C=CCC1(C(=O)N2CCc3c([nH]c4ccccc34)C2)CCCCC1 450274659 CBNLWIZPRPRHPR-UHFFFAOYSA-N 322.452 4.579 30 20 DJED C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)c1cccc(C#N)c1 462257789 OSGLKXSFXNWTGK-SNVBAGLBSA-N 319.191 4.607 30 20 DJED C=CCCN(C)C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 474797888 ASGUSHRAEIIWBH-UHFFFAOYSA-N 323.314 4.614 30 20 DJED CCSc1cccc(NC(=O)C[C@@H](CC#N)c2ccccc2)c1 476065040 YROBOBYNECUFHW-MRXNPFEDSA-N 324.449 4.825 30 20 DJED C=CCn1c(SCc2ccccc2OC)nc2ccccc21 510974362 FIUOILFBIJZABH-UHFFFAOYSA-N 310.422 4.523 30 20 DJED CCCCCN(C(=O)CCc1ccc(C#N)cc1)[C@@H](C)CCC 513453964 CAVSXLVJRIRSNN-KRWDZBQOSA-N 314.473 4.698 30 20 DJED C=CCCCS[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 522758426 XWTIUWCLSLFGRY-CHWSQXEVSA-N 311.878 4.605 30 20 DJED CCCc1nc(CSCc2ccc(CC#N)cc2)cs1 543153959 SOLUWSKZQVBGDB-UHFFFAOYSA-N 302.468 4.595 30 20 DJED CC(C)(C#N)CCCCN1CC[C@H](Oc2ccc(Cl)cc2)C1 555686186 SXDVOKFXPHVUBA-KRWDZBQOSA-N 320.864 4.513 30 20 DJED N#CCCC1CCN(C(=O)c2ccc(C3CCCC3)cc2)CC1 563188312 IUDNNBVIGRFMQD-UHFFFAOYSA-N 310.441 4.500 30 20 DJED N#Cc1ccc(CN[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)s1 574884810 GXJSWKAMGZVECS-IAGOWNOFSA-N 316.857 4.699 30 20 DJED Cn1c(S[C@H](C#N)C2CCCCC2)nc2cc(Cl)ccc21 582114470 PUCUHVOELJSZMO-OAHLLOKOSA-N 319.861 4.791 30 20 DJED C=CCCC(=O)N[C@H](CCCc1ccccc1)c1ccccc1 588020104 OORANIHGTPPJIO-HXUWFJFHSA-N 307.437 4.833 30 20 DJED N#Cc1cc(NCc2c(F)ccc(F)c2Cl)ccc1Cl 600849943 OZWYYUZFYXCNPP-UHFFFAOYSA-N 313.134 4.755 30 20 DJED CC1CCC(C)(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 609205662 OKVMOPWNSWLCBI-UHFFFAOYSA-N 313.445 4.578 30 20 DJED C=CCCC(C)(C)NC(=O)Nc1cc(-c2cccnc2)ccc1C 666967650 NJAJRVHGXXCSCA-UHFFFAOYSA-N 323.440 4.923 30 20 DJED CCc1cccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)c1 726438874 WWBOOHFIFFHXNE-UHFFFAOYSA-N 315.829 4.583 30 20 DJED Oc1ccc(Cl)cc1C=Nc1cccc(Oc2ccccn2)c1 743045769 YBRRLCFHDRQTRL-UHFFFAOYSA-N 324.767 4.984 30 20 DJED CSc1ccc2c(c1)CC/C(=C\c1ccc(C)s1)C2=O 748145841 AUCNXCHLYWOJHC-JLHYYAGUSA-N 300.448 4.991 30 20 DJED O=C(/C=C\c1ccc(Cl)nc1)c1ccccc1C(F)(F)F 748994269 LHXNMBOHSUXZDY-ALCCZGGFSA-N 311.690 4.650 30 20 DJED O=C(/C=C\c1cc2ccccc2o1)c1c[nH]c2cc(F)ccc12 750908329 FJAYEUULTAKJEU-VURMDHGXSA-N 305.308 4.949 30 20 DJED CC[C@H](C)c1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1 756221868 GSDBEXVJZIZQBZ-XJKSGUPXSA-N 317.392 4.566 30 20 DJED C=CCC[C@H](NC(=O)Nc1ccc(N(C)C)cc1)c1ccccc1 772413711 QLZMRFZQQIFHAI-IBGZPJMESA-N 323.440 4.582 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N1CCC[C@@H](OC)CC1 783081674 XKXQRQKRDRDUGV-ZWKOTPCHSA-N 311.510 4.791 30 20 DJED CCn1nc(/C=C/C(=O)c2csc(Cl)c2)c2ccccc21 787186024 KXFPIOFTDRJOJB-BQYQJAHWSA-N 316.813 4.667 30 20 DJED COc1cc(C)ccc1C(=O)/C=C/c1cc2cccc(OC)c2o1 797280191 PAMCZUAWEVJHIS-CSKARUKUSA-N 322.360 4.655 30 20 DJED C[C@@H](Nc1nc(Cl)c(C#N)s1)c1cc2ccccc2o1 804644883 JVWCUGFKFDKDSF-MRVPVSSYSA-N 303.774 4.587 30 20 DJED Cc1cc(C(=O)/C=C\c2cc(Cl)cc(C(F)(F)F)c2)no1 806556356 RVPJIHGXHYBOCQ-IHWYPQMZSA-N 315.678 4.551 30 20 DJED CC(C)(C)c1ccc(C(=O)/C=C\c2cc(F)ncc2F)cc1 806566220 XMRRVPBWAHULPU-TWGQIWQCSA-N 301.336 4.553 30 20 DJED C=CCCCCCCNC(=O)N(C1CC1)[C@H](C)c1ccco1 807570631 BDHNZOSDXNNPLI-OAHLLOKOSA-N 304.434 4.651 30 20 DJED CC(C)(C#N)[C@@H]1CCCC1=NNc1ccccc1C(F)(F)F 814688935 PRDQNTJRYGLGQU-LLVKDONJSA-N 309.335 4.823 30 20 DJED FC(F)(F)COc1ccc(NN=C2CC[C@@H]2C2CCC2)cc1 814830318 GYNRYRNFAFQECX-CQSZACIVSA-N 312.335 4.606 30 20 DJED Cc1c(C(=O)O[C@H](C)CC(C)(C)C#N)cccc1-c1ccccn1 851208178 PDLRZZYREBANDO-CQSZACIVSA-N 322.408 4.542 30 20 DJED C=C(Cl)CS[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 917953792 HADPKYDXMBCJOE-JTQLQIEISA-N 312.797 4.731 30 20 DJED C[C@@H](NC(=O)c1ccccc1CC(C)(C)C)c1ccc(C#N)cc1 1124916249 XVELYJMBFFJVRR-OAHLLOKOSA-N 320.436 4.638 30 20 DJED CC(C)C[C@@H](C)NC(=O)c1ccccc1Oc1ccccc1C#N 1127340015 BHCFVGWTEFEFHD-OAHLLOKOSA-N 322.408 4.515 30 20 DJED CCCCN(Cc1ccc(OCC#N)cc1)[C@@H]1CCC[C@H](C)C1 1170683625 RHVRYCYKXNLNKL-PKOBYXMFSA-N 314.473 4.770 30 20 DJED Cc1ccccc1C(Nc1ncccc1C#N)c1ccccc1C 1186053714 IPGMBJDFKVLFBW-UHFFFAOYSA-N 313.404 4.772 30 20 DJED CCc1ccc(CCN2CCC(c3ccc(C#N)cc3)CC2)cc1 1198211155 PPQAIVUVHRGXNO-UHFFFAOYSA-N 318.464 4.543 30 20 DJED C[C@]1(CCc2ccccc2)CCN(Cc2ccc(CC#N)cc2)C1 1307518756 WOLZUINTPQWDSB-QFIPXVFZSA-N 318.464 4.597 30 20 DJED CCCCCC[C@H](C)CC(=O)Nc1ccc(OCC#N)cc1 1321475950 UCUKRDJUULFXTP-HNNXBMFYSA-N 302.418 4.524 30 20 DJED CC[C@@H](C(=O)N(C)c1ccc(C#N)cc1F)C1CCC(C)CC1 1352290532 WDYRKLXEFZVIAW-AVVWSFFYSA-N 316.420 4.513 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(C)(C)CC(C)C 1358354576 DXAWWGJXHYPGAB-UHFFFAOYSA-N 314.473 4.615 30 20 DJED CC[C@@H]1[C@@H](C)CCN1Cc1ccc(-c2ccccc2C#N)cc1 1459993740 HBDDNLYEXHRWOF-HRAATJIYSA-N 304.437 4.846 30 20 DJED C[C@H](CCC#N)CN(CCc1ccccc1F)C1CCCC1 1461960151 MIFZCPSEKDPRIC-MRXNPFEDSA-N 302.437 4.553 30 20 DJED CC[C@H]1CCCCN1C(=O)Nc1scc(C(C)(C)C)c1C#N 1466647357 SXVUXIFIUJFHPW-LBPRGKRZSA-N 319.474 4.714 30 20 DJED Cc1nsc(N2CCc3c(-c4ccccc4)cccc32)c1C#N 1472753090 QWKJTZHFJGUQCH-UHFFFAOYSA-N 317.417 4.684 30 20 DJED C[C@H](CC(C)(C)C#N)Nc1ccccc1O[C@H](C)C(F)(F)F 1474565292 SPIHRKBDSFSYCD-VXGBXAGGSA-N 314.351 4.756 30 20 DJED COc1cc(Oc2nc3c(C)c(C)ccc3s2)ccc1C#N 1559179187 ONPFYZCULXRLSY-UHFFFAOYSA-N 310.378 4.586 30 20 DJED CCCN(CC1CCCCC1)C(=O)Nc1scc(C)c1C#N 1624564169 HBOLBCBVEWVXHC-UHFFFAOYSA-N 319.474 4.752 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1Oc1cc(F)cc(F)c1 1642188846 LIABJADPROTOEA-UHFFFAOYSA-N 316.694 4.830 30 20 DJED CC[C@H](CSC)N(C)Cc1ccc(-c2ccccc2C#N)cc1 1645051683 PINJPKSNCKCSPY-LJQANCHMSA-N 324.493 4.799 30 20 DJED Cc1cccc(COc2cccc(Nc3ccc(C#N)cn3)c2)c1 1650775093 TZWAGWWJCCCALJ-UHFFFAOYSA-N 315.376 4.584 30 20 DJED CCC(CC)CN(CCC#N)Cc1cccc(OC2CC2)c1F 1651830784 HYQGTLJVQYLLPE-UHFFFAOYSA-N 318.436 4.519 30 20 DJED CC(C)(C)c1ccc2c(c1)CCN([C@@H](C#N)c1ccccc1)C2 1653271517 HTMQRFGGJNADNL-FQEVSTJZSA-N 304.437 4.607 30 20 DJED CN(Cc1cccc(C#N)c1)[C@@H]1CCCC[C@@H]1c1ccccc1 1653896409 XKXBTRMZFCNHQA-NHCUHLMSSA-N 304.437 4.716 30 20 DJED N#Cc1cccnc1N(CC1CCCCC1)CC1CCCCC1 1655311300 LKLUAMHINZBRML-UHFFFAOYSA-N 311.473 4.920 30 20 DJED Cc1ccncc1[C@@H](C)Nc1c(C#N)cnc2c(Cl)cccc12 1655316502 HBJLSBJZUDCLQO-GFCCVEGCSA-N 322.799 4.636 30 20 DJED CC[C@H](Nc1nc(C(C)(C)C)ccc1C#N)c1ccccc1OC 1655785776 MXXRTPMNLFNORC-INIZCTEOSA-N 323.440 4.823 30 20 DJED CCNc1ccccc1CN(CC)[C@@H](C)c1ccc(C#N)cc1 1659095247 DUIIJQFFYJVQKQ-INIZCTEOSA-N 307.441 4.573 30 20 DJED COc1cc(C(=O)O)ccc1NN=C1CCCCCCCCC1 1776051526 OIWRLSSNUVGKHD-UHFFFAOYSA-N 318.417 4.686 30 20 DJED CCCCCCCC[C@H](C)C(=O)Nc1cccc(F)c1C(=O)O 1776786125 NSWFZYDFLOHMGJ-ZDUSSCGKSA-N 323.408 4.849 30 20 DJED C[C@@H](NCc1cc(Cl)cc(Cl)c1)c1ccc(C#N)cc1 37652508 MKILFADSFIIROT-LLVKDONJSA-N 305.208 4.716 30 20 DJED C#Cc1cccc(NC(=O)N(C)[C@@H](C)c2ccccc2Cl)c1 47399961 OXQGVGKVGOYRSK-ZDUSSCGKSA-N 312.800 4.546 30 20 DJED CCCC(CCC)S[C@H](C)C(=O)Nc1cccc(C#N)c1 64048122 HRNSWMCGLBFXAU-CYBMUJFWSA-N 304.459 4.587 30 20 DJED Cc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)o1 66789176 YICRCXZJAXGDMA-UHFFFAOYSA-N 318.332 4.504 30 20 DJED CCCOc1ccc(/C=C/C(=O)c2ccc(C)s2)cc1OC 71794996 YKVGPHRWZDPGIR-SOFGYWHQSA-N 316.422 4.750 30 20 DJED C[C@H](c1ccccc1Cl)N(CCCSCC#N)C1CC1 74990086 GSJSWBDZSQQCHX-CYBMUJFWSA-N 308.878 4.512 30 20 DJED C[C@H](NCc1cc(C#N)cs1)c1ccc(Cl)c(Cl)c1 93492066 JLGDJIKBBWNUEJ-VIFPVBQESA-N 311.237 4.777 30 20 DJED C=CCCCC(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C 175406154 NTLHPGZFGIQYIY-ZDUSSCGKSA-N 314.454 4.652 30 20 DJED C=C[C@@H](CC(=O)N1CCC(c2ccccc2)CC1)c1ccccc1 179423387 KMPIKLSSYZYCRT-SFHVURJKSA-N 319.448 4.753 30 20 DJED C[C@@H](N[C@H](C)c1cccc(OC(F)F)c1)c1cccc(C#N)c1 192975285 LRTJUIXDWAXBMC-CHWSQXEVSA-N 316.351 4.571 30 20 DJED Cc1cccc2cc(/C(O)=N/Cc3ccc4c(n3)CCCC4)oc12 329909209 UWJJXVFSVBRENH-UHFFFAOYSA-N 320.392 4.520 30 20 DJED C[C@@H](NCC(C)(C)CCC#N)c1cccc(-c2ccncc2)c1 348208736 AAPMMJVHAAQQMM-MRXNPFEDSA-N 307.441 4.729 30 20 DJED CCCCCCCCCC(=O)N1CCC[C@H]1c1cc(C)on1 363330383 COBNHUPOQYVJCI-KRWDZBQOSA-N 306.450 4.787 30 20 DJED CC(C)Cn1cc(N[C@H](C)c2ccc(C#N)cc2)c(C(F)F)n1 435890319 ZHEOCSBVEJVCHR-GFCCVEGCSA-N 318.371 4.521 30 20 DJED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cc2ccccc2s1 436300590 JYLNKOYRHOYGEK-XUWXXGDYSA-N 301.455 4.533 30 20 DJED CC[C@@H](C(=O)Nc1sc(C)c(C)c1C#N)c1ccc(F)cc1 460766221 FNTXVSMIDIZWAA-CQSZACIVSA-N 316.401 4.508 30 20 DJED C=CCOCCCSCc1ncc(-c2cccc(Cl)c2)o1 479586980 UAYBEMKWLKBVEW-UHFFFAOYSA-N 323.845 4.821 30 20 DJED Cc1nc(N[C@H](Cc2ccccc2)c2cccs2)ccc1C#N 488089115 MGVZRBWXGFTXEK-QGZVFWFLSA-N 319.433 4.719 30 20 DJED Cc1cc(CN[C@H](C)c2cccc(OC(C)C)c2)ccc1C#N 488166520 UQOPJFNQSBWALW-MRXNPFEDSA-N 308.425 4.505 30 20 DJED CCCCCOc1cc(/C=C/c2ccc(C#N)cn2)ccc1OC 489128441 ORGPGAXBFLVRPW-RMKNXTFCSA-N 322.408 4.701 30 20 DJED C[C@H](c1cc2ccccc2o1)N(C)Cc1ccc(F)cc1C#N 489660691 UGRACPYLZHYXQL-CYBMUJFWSA-N 308.356 4.637 30 20 DJED CC(C)CCC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 517844104 HNOKFLUMAOQCKQ-UHFFFAOYSA-N 308.381 4.725 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)NC(C)(C)c2ccccc2)cc1 521433252 GYXORRSUXLDARK-UHFFFAOYSA-N 321.424 4.545 30 20 DJED N#Cc1cccc(CNC2(c3c(Cl)cccc3Cl)CC2)c1 531594524 CNASLTDWPPESFV-UHFFFAOYSA-N 317.219 4.644 30 20 DJED C=C[C@H](CC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C)c1ccccc1 533942906 BUDKHWFBVBHXDS-OPYAIIAOSA-N 319.448 4.751 30 20 DJED Cc1ccc2nc(-c3cccc(OCCCC#N)c3)[nH]c2c1C 535592034 QDRUGMNMOSETEW-UHFFFAOYSA-N 305.381 4.529 30 20 DJED C=CCC[C@@H](N[C@H](C)c1ccc2c(c1)OCO2)c1ccccc1 540151083 NWBOANPGLVZSDR-CRAIPNDOSA-N 309.409 4.773 30 20 DJED CC(C)[C@@H](NCc1ccccc1C#N)c1ccc(Cl)cc1F 541988486 IHMSNMLFYVNUDE-GOSISDBHSA-N 316.807 4.838 30 20 DJED C=CCC[C@H](Nc1ccc([N+](=O)[O-])c(C(C)=O)c1)c1ccccc1 557641560 VTWNFYOGEZABCV-SFHVURJKSA-N 324.380 4.917 30 20 DJED C[C@@](C#N)(NC(=O)c1cccc(C2CCC2)c1)C1CCCCC1 567434429 YJBWVSFAWHFTBZ-FQEVSTJZSA-N 310.441 4.546 30 20 DJED CC(C)Oc1ccc(Cl)cc1NCc1ccc(CC#N)cc1 580663886 ZWPBSBFXOJFYCI-UHFFFAOYSA-N 314.816 4.805 30 20 DJED N#CCCCCOC(=O)c1cc(-c2ccccc2)ccc1Cl 732406626 OVPLVQFQSNETNT-UHFFFAOYSA-N 313.784 4.858 30 20 DJED COc1ccc2cc(C(=O)/C=C/c3cc(C#N)cs3)ccc2c1 748439204 LMRLWKBARQFVGT-VOTSOKGWSA-N 319.385 4.678 30 20 DJED Cc1cc2cc(C(=O)/C=C\c3ccc(Cl)nc3)oc2cc1C 749131922 HGWOYCZUQHSBMT-HYXAFXHYSA-N 311.768 4.994 30 20 DJED C=C(C)[C@@H](CC(=O)N(CC)c1ccc2ccccc2c1)OCC 755791308 CEORYZIGOOCNMS-LJQANCHMSA-N 311.425 4.564 30 20 DJED CC(CC1CCC1)=NNc1ccc(OCC(F)(F)F)cc1 758374198 CPTCVPNPLJUKCF-UHFFFAOYSA-N 300.324 4.606 30 20 DJED C[C@@H](SCc1cccc2nsnc12)c1ccc(C#N)cc1 764641175 OEWXSALKEVBTTJ-LLVKDONJSA-N 311.435 4.557 30 20 DJED CC[C@@H](Nc1ccc(OC(F)F)c(F)c1)c1ccc(C#N)cc1 774283745 XICRMHODLRLEPC-OAHLLOKOSA-N 320.314 4.862 30 20 DJED C#CC[C@@H](NC(=O)Nc1ccc2occ(C)c2c1)c1ccccc1 776086184 ZTICJQPNZJETJT-GOSISDBHSA-N 318.376 4.627 30 20 DJED C=CC[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1 777418495 MBCSNFCOOLAFIU-FQEVSTJZSA-N 320.436 4.585 30 20 DJED COc1ccsc1/C=C\C(=O)c1cc2ccccc2s1 780187606 DJWBMXUATFMRNW-SREVYHEPSA-N 300.404 4.868 30 20 DJED COc1cc(C)c(C(=O)/C=C\c2sccc2Cl)cc1OC 782328652 XGESYAGXHAFBFB-PLNGDYQASA-N 322.813 4.623 30 20 DJED CC(C)n1nccc1/C=C/C(=O)c1cc(Cl)ccc1Cl 794925998 GXSWWGZPOAFJJW-GQCTYLIASA-N 309.196 4.667 30 20 DJED N#C[C@H]1CCCC(=NNc2nc(Cl)c(Cl)cc2Cl)C1 814741048 JTJOMCYHDISPLS-ZETCQYMHSA-N 317.607 4.523 30 20 DJED Fc1ccc(NN=Cc2cscc2C(F)(F)F)c(F)c1F 814945825 RVIPKMDQYFFSIA-UHFFFAOYSA-N 324.249 4.630 30 20 DJED CCOc1ccc(NN=Cc2c(Cl)cccc2Cl)cc1 814984493 AEPQSADHCCMUSH-UHFFFAOYSA-N 309.196 4.838 30 20 DJED C=CC[C@@H](N[C@H](C)Cc1coc2ccccc12)c1ccncc1 823888043 VFUUAMLNVKGISQ-DNVCBOLYSA-N 306.409 4.666 30 20 DJED CC1(C#N)CCC(=NNc2nc(-c3ccccc3)cs2)CC1 834934681 JNEZKFJDPBRFLJ-UHFFFAOYSA-N 310.426 4.682 30 20 DJED C=CC[C@H](NC(=O)C[C@H](C)CCC=C(C)C)c1ccncc1 843548659 HBXFEXMKUSMKDS-AEFFLSMTSA-N 300.446 4.588 30 20 DJED N#CC1(CCCC[S@@](=O)CCCCc2ccccc2)CCC1 899287721 WEHVKXKGFXYTKJ-QFIPXVFZSA-N 317.498 4.622 30 20 DJED O=C(/C=C/c1cccc(O)c1)c1ccc(N2CCCCCC2)cc1 916132463 HEBPXLXVHJCLEY-MDWZMJQESA-N 321.420 4.669 30 20 DJED Cc1ccc(C(=O)/C=C\c2c(F)cccc2Cl)cc1[N+](=O)[O-] 916138427 ICVYYRRQTNYVBS-FPLPWBNLSA-N 319.719 4.592 30 20 DJED C[C@@H](OC(=O)c1cccc(CC#N)c1)c1cccc2ccccc12 920527993 HWJFWRKBCJUFKW-OAHLLOKOSA-N 315.372 4.824 30 20 DJED C[C@@H](CC(=O)Nc1sc(-c2ccccc2)cc1C#N)C1CC1 920814786 MUPCCSRFNHHKKL-LBPRGKRZSA-N 310.422 4.661 30 20 DJED CCNc1ccc(C#N)cc1NC(=O)C[C@@H]1CCCCC1(C)C 1150797180 JKOYTYLXVKDVHR-HNNXBMFYSA-N 313.445 4.535 30 20 DJED CCCN(Cc1ccc(C#N)cc1C)Cc1ccc(F)cc1F 1190606407 YSNPZOSRFZOFNC-UHFFFAOYSA-N 314.379 4.557 30 20 DJED Cc1ccnc(N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)c1C#N 1307144070 VCDOARLHFPVFKB-GOEBONIOSA-N 311.816 4.663 30 20 DJED COc1cc(CNc2cccc(C#N)c2C)cc(C(F)(F)F)c1 1308421825 YIGQICSQEHCNQT-UHFFFAOYSA-N 320.314 4.506 30 20 DJED C=CCC[C@H](C(=O)Nc1ccc2ncccc2c1)c1ccccc1 1338395177 SASCUAHJDVEVRE-IBGZPJMESA-N 316.404 4.923 30 20 DJED C[C@@H](CC1CCCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 1348338579 JQLJHDFBXARGGY-LBPRGKRZSA-N 304.821 4.757 30 20 DJED CCC[C@H](CC(C)C)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 1436968716 NJMZXLFTNVLZNX-CRAIPNDOSA-N 300.446 4.540 30 20 DJED CC(C)Sc1cccc(Cl)c1CN1CCC[C@](C)(C#N)C1 1461992233 ANEYGPNVFNHJOJ-QGZVFWFLSA-N 322.905 4.966 30 20 DJED C=C(Cl)CNC(=O)N[C@@H](c1ccc([C@@H](C)CC)cc1)C(C)C 1467980278 YYSVFYFLHNMIHE-SUMWQHHRSA-N 322.880 4.949 30 20 DJED CC(C)(C)C[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C1(C)C 1473542298 PYQBJBJVQAWSCT-KRWDZBQOSA-N 314.473 4.626 30 20 DJED Cc1cc(C)c2cc(NCc3ccc(C#N)c(C)c3)ccc2n1 1474267688 JFKXCGLMIOOOLQ-UHFFFAOYSA-N 301.393 4.644 30 20 DJED CCCCN(C(=O)[C@@H](C)Cc1ccc(C#N)cc1)c1ccccc1 1524548820 CVTGKBRNPARZGD-KRWDZBQOSA-N 320.436 4.570 30 20 DJED Cc1ccc(C(=O)N2CC[C@@H](CC(C)(C)C)C2(C)C)cc1C#N 1525195310 OUZJFCARCJPDDD-KRWDZBQOSA-N 312.457 4.544 30 20 DJED Cc1nc(NCc2oc3ccccc3c2C)c(Cl)cc1C#N 1559106388 QMMZHMZVQZCYII-UHFFFAOYSA-N 311.772 4.582 30 20 DJED CCCC[C@@H](Nc1nccc(C)c1C#N)c1ccc(OC)cc1 1642224059 VRTJRJGFVVRNKB-GOSISDBHSA-N 309.413 4.614 30 20 DJED C[C@@H](c1ccccc1)c1ccc(Oc2ccncc2C#N)cc1 1642234986 DAUSFBMLKRMWAM-HNNXBMFYSA-N 300.361 4.897 30 20 DJED Cc1ccc(C#N)c(Nc2ccc(NC3CCCCC3)cc2)n1 1650222779 UNTDUVRZPDACQI-UHFFFAOYSA-N 306.413 4.750 30 20 DJED Cc1nc(S[C@@H](C)c2ccc(F)cc2)c(Cl)cc1C#N 1650697207 LTGZAQKKOMQPBS-JTQLQIEISA-N 306.793 4.908 30 20 DJED Cc1ccc(C)c(Oc2c(Br)cccc2C#N)c1 1654893814 TVYCTEQCKKLFKT-UHFFFAOYSA-N 302.171 4.730 30 20 DJED CC[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)c1ccccc1OC 1655785777 MXXRTPMNLFNORC-MRXNPFEDSA-N 323.440 4.823 30 20 DJED CC1(C)CC[C@H](CNCc2ccc(C#N)cc2F)c2ccccc21 1655931173 HOZMSTPWBKDZMK-MRXNPFEDSA-N 322.427 4.642 30 20 DJED CC[C@@H](Cc1ccc(C)cc1)N(CC)Cc1ccc(F)cc1C#N 1657402783 NIPJCKYBKYWOQO-NRFANRHFSA-N 324.443 4.849 30 20 DJED CCN(Cc1cc(O)cc(Cl)c1)[C@H](C)c1ccc(C#N)cc1 1658490180 RQCWMHILRMXZDO-CYBMUJFWSA-N 314.816 4.500 30 20 DJED C=C(CNC(=O)N(CC)[C@@H](CC)c1ccccc1)c1ccccc1 1683121458 NYEIFFYKGDEUQC-FQEVSTJZSA-N 322.452 4.883 30 20 DJED N#Cc1cccc(COc2ccc(Br)cc2Cl)c1 5829510 LETGBEMHZJNJIO-UHFFFAOYSA-N 322.589 4.553 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccccc1CCC(F)(F)F 153153533 RQGYQFYVGHDLGZ-UHFFFAOYSA-N 311.347 4.888 30 20 DJED CC[C@@H](CC#N)NC(=O)Nc1ccc(S[C@@H](C)CC)cc1C 157318053 PBFGBTYCJUUVGT-KBPBESRZSA-N 319.474 4.699 30 20 DJED Cc1ccc(C)c(NC(=O)CS[C@H](C)c2cccc(C#N)c2)c1 190883071 CLTBHFDYXHUBIP-OAHLLOKOSA-N 324.449 4.608 30 20 DJED COc1ccc(C(=O)/C=C\c2cccc(C#N)c2)c2ccccc12 208313073 JILIITHGGWEWKO-LUAWRHEFSA-N 313.356 4.616 30 20 DJED C[C@H](c1cccc(Cl)c1)N(C)Cc1cc(F)ccc1C#N 229957915 BHHZETQBZRIKOV-GFCCVEGCSA-N 302.780 4.544 30 20 DJED C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2cccc(Cl)c2)cc1 254956312 QOMLSFWWJLHRPB-PGJNLMOESA-N 311.768 4.527 30 20 DJED Cc1ccccc1[C@H](N[C@H](C)c1ccc(OCC#N)cc1)C1CC1 271860999 KJJWXACXRWHIQF-IIBYNOLFSA-N 320.436 4.699 30 20 DJED CC(C)[C@@H](NC1CC(C#N)(c2ccccc2)C1)c1ccc(F)cc1 325688557 IQYCWSFRPVIFSY-NYLDSWQDSA-N 322.427 4.736 30 20 DJED CC1(C)C(O)=Nc2cc(/C(O)=N/CCC3CCCCC3)ccc21 328750616 MUBKDLSMJIPROT-UHFFFAOYSA-N 314.429 4.841 30 20 DJED C[C@H]1CC[C@@H](/C(O)=N/C2(C/N=C(/O)[C@H]3CC[C@@H](C)C3)CCC2)C1 329107678 ICOIYFQBZJVGQR-FXUDXRNXSA-N 320.477 4.695 30 20 DJED N#Cc1ccc(CN[C@@H]2CCSc3c(Cl)cccc32)s1 421872887 HANOGDRQWYEBMY-CQSZACIVSA-N 320.870 4.600 30 20 DJED CC(C)[C@@H](NC(=O)[C@H](C)C#N)c1ccc(C2CCCCC2)cc1 462029144 HGLYOCCMKUQWOX-DNVCBOLYSA-N 312.457 4.707 30 20 DJED C=CC[C@H](CC)NC(=O)N(CC)[C@H](C)c1cc2ccccc2o1 466326928 VMUUKEWJBDDPFV-ZBFHGGJFSA-N 314.429 4.880 30 20 DJED C=CCOc1ccccc1CN[C@H]1CCCOc2cc(C)ccc21 482888169 JVPKZFXXBMCXHK-IBGZPJMESA-N 323.436 4.563 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1ccc(F)c(F)c1 485006588 CCXYSEWWLNDBJB-UHFFFAOYSA-N 308.372 4.565 30 20 DJED C=CC[C@H](C(=O)Nc1cccc(Cl)c1F)c1ccccc1 487582856 JUIGAMPDNJVYMN-ZDUSSCGKSA-N 303.764 4.778 30 20 DJED CC(C)Sc1ccc(CSc2cc(C#N)ccn2)cc1 511847217 PQFDXNPDKFPTLT-UHFFFAOYSA-N 300.452 4.746 30 20 DJED CC(C)Oc1ccc(C#N)cc1N[C@@H](C)c1c(F)cccc1F 516381167 AHZKOVDXTBOXAW-LBPRGKRZSA-N 316.351 4.797 30 20 DJED C[C@H](Cc1ccccc1C(F)(F)F)N(C)CCC(C)(C)C#N 519663803 SIVRLEZFONUBEZ-CYBMUJFWSA-N 312.379 4.508 30 20 DJED CC(C)c1ccc([C@H]2CCCN2C(=O)c2cccc(C#N)c2)cc1 536293111 YFETUAXPBQYXRC-HXUWFJFHSA-N 318.420 4.659 30 20 DJED C[C@H](NCC1(c2ccccc2Cl)CC1)c1cccc(C#N)c1 537305126 CTOXEQMIXREFPX-AWEZNQCLSA-N 310.828 4.594 30 20 DJED Cc1ccccc1[C@@H](CC(C)C)NCc1cc(C#N)ccc1F 538159990 YKRZHUJLQPRWPC-HXUWFJFHSA-N 310.416 4.883 30 20 DJED CC[C@H](CC#N)NCc1ccc(-c2cccc(Cl)c2)s1 546581299 NZWOWLZEEUVGFA-CQSZACIVSA-N 304.846 4.850 30 20 DJED C=CC[C@H](C(=O)Nc1cccc2ccncc12)c1ccccc1 547960571 LWFPJQIUYJFBMH-KRWDZBQOSA-N 302.377 4.533 30 20 DJED CC(C)(C#N)CCCCN1CC[C@@H](Oc2ccc(Cl)cc2)C1 555686189 SXDVOKFXPHVUBA-QGZVFWFLSA-N 320.864 4.513 30 20 DJED C[C@@H](NC(=O)Nc1cccc(CC#N)c1)c1cccc(C2CC2)c1 581868311 UPBNMVNXVUWYFH-CQSZACIVSA-N 319.408 4.513 30 20 DJED CCC[C@H](CC1CCCCC1)C(=O)N1CCC(CCC#N)CC1 582243397 MBKBRUBNCWTXHM-LJQANCHMSA-N 318.505 4.915 30 20 DJED C=CCCC(=O)N[C@H](CC(C)C)c1cccc(C(F)(F)F)c1 588377580 MPCREBBNNMSQKM-OAHLLOKOSA-N 313.363 4.875 30 20 DJED C[C@H](N[C@H]1CCCc2c1[nH]c1ccccc21)c1cccc(C#N)c1 588954970 PXJJBMBIZUEZOG-XOBRGWDASA-N 315.420 4.768 30 20 DJED N#CCCCCCc1nc(CCCc2ccccc2Cl)no1 589128596 KAFMBANHDLWRNR-UHFFFAOYSA-N 317.820 4.525 30 20 DJED CC(C)c1cccc(C[S@@](=O)CCCCC(C)(C)C#N)c1 596038989 JPQCGSLEZUOZHC-NRFANRHFSA-N 305.487 4.779 30 20 DJED CCCN(CC)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609433820 KWHSEPYFNFMZRX-UHFFFAOYSA-N 323.396 4.614 30 20 DJED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cc2ccccc2o1 618807639 VHXFFYXHZIJOMW-UGSOOPFHSA-N 302.377 4.643 30 20 DJED Cc1cccnc1[C@@H]1CCC[C@H](N[C@@H](C)c2cccc(C#N)c2)C1 619611256 AHKABLDGSWLDQM-DBVUQKKJSA-N 319.452 4.639 30 20 DJED Cc1cc(Cl)c2ncc(C#N)c(N[C@@H]3CCC(F)(F)C3)c2c1 619792799 WHJNRHCRIDQWJL-LLVKDONJSA-N 321.758 4.668 30 20 DJED Fc1c(F)c(F)c(CNc2cccc(C(F)F)c2)c(F)c1F 725794469 GBGZDDTWDMAFDX-UHFFFAOYSA-N 323.211 4.932 30 20 DJED CC(=NNc1ccccc1F)c1cccc(OC(F)(F)F)c1 730947626 AEFXFLCQKJBNDK-UHFFFAOYSA-N 312.266 4.560 30 20 DJED C=CC[C@H](C)NC(=S)Nc1ccc(Oc2ccccc2)cc1 734986415 LQLZPRQASQUATE-AWEZNQCLSA-N 312.438 4.730 30 20 DJED CC1(c2ccccc2)CC(=NNc2cccc(C(F)(F)F)n2)C1 739422415 UPQOHOGQMJBZEX-UHFFFAOYSA-N 319.330 4.620 30 20 DJED CCCCCCCC(=O)N(c1cccc(F)c1)C1CCOCC1 740689825 BVJCBIXWSVYBLA-UHFFFAOYSA-N 321.436 4.698 30 20 DJED C=CC[C@H](NC(=O)/C=C(/CC)c1ccc(C)cc1)c1ccncc1 741693025 JCBOJAHMYZUPQB-DNCJFXNASA-N 320.436 4.617 30 20 DJED CCc1nc(C)c(C(C)=NNc2ccc(Cl)c(F)c2)s1 747634842 BPUSFSPTUFCWND-UHFFFAOYSA-N 311.813 4.643 30 20 DJED CSc1ccc(/C=C/C(=O)c2c[nH]c3cc(F)ccc23)cc1 749452001 IUYXKRAXGHSXJD-RUDMXATFSA-N 311.381 4.925 30 20 DJED Oc1c(Cl)cc(Cl)cc1C=Nc1ccc2c(c1)CCCO2 750949983 LVJRDJSUOJAWEX-UHFFFAOYSA-N 322.191 4.775 30 20 DJED Cc1ccc(SC2(C(=O)OCCCCC#N)CCCC2)cc1 750972737 OGMDTHUOIIBPKO-UHFFFAOYSA-N 317.454 4.637 30 20 DJED C=CCCO[C@H](C)C(=O)Nc1ccc(SC(C)(C)C)cc1C 751253157 VXFIVTRNTBMAAC-CQSZACIVSA-N 321.486 4.805 30 20 DJED C#CC[C@H](NCc1cc(C(F)(F)F)ccc1F)c1ccccc1 756996648 QTDSHSGMFLOUDV-KRWDZBQOSA-N 321.317 4.699 30 20 DJED Cc1ncsc1/C=C1/Cc2cc(Cl)cc(Cl)c2C1=O 764433395 PPWLPCSFVRBAEQ-WTKPLQERSA-N 310.205 4.581 30 20 DJED C=C(C)CNC(=O)Nc1ccccc1SCc1ccccc1 779393953 WANXUEFEUUMJIS-UHFFFAOYSA-N 312.438 4.677 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2cccc(Cl)c2)c(Cl)c1 788360345 INFJKZQKVJASTG-FNORWQNLSA-N 302.160 4.761 30 20 DJED C[C@@H](C#N)Oc1ccccc1NCc1cccc(C(F)F)c1 795046098 VIWCDXVDSYGAHE-LBPRGKRZSA-N 302.324 4.527 30 20 DJED Cc1ccc(N(C(=O)C[C@H](CC#N)c2ccccc2)C(C)C)cc1 796628250 ISCPSQPVTBGSIN-IBGZPJMESA-N 320.436 4.824 30 20 DJED C[C@H](C#N)OCCS[C@@H](c1ccccc1)c1ccc(F)cc1 801661793 SNBKTFNNZHSSQE-KDOFPFPSSA-N 315.413 4.577 30 20 DJED CCCOc1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1OC 858606015 ZGJULATZGPXLRA-CQSZACIVSA-N 310.397 4.529 30 20 DJED C=CC(C)(C)Cc1nc(-c2ccc(Oc3ccccc3)nc2)no1 904450397 LYBBLHBXQKCAFR-UHFFFAOYSA-N 321.380 4.679 30 20 DJED COc1ccc(C=NN(c2ccccc2)c2ccccc2)c(O)c1 914693416 UZYBUJIUVKDKBX-UHFFFAOYSA-N 318.376 4.573 30 20 DJED CCc1cccc2c(/C=C3/COc4c(F)cccc4C3=O)c[nH]c12 921267201 YOYLIFKCUNGHHN-ZROIWOOFSA-N 321.351 4.528 30 20 DJED N#CC1(CCCCN(CCC(F)(F)F)CC2CC2)CCC1 929817782 LIQVBVBLHVTLMA-UHFFFAOYSA-N 302.384 4.515 30 20 DJED C[C@@H](CCCc1ccccc1)c1nnc(-c2ccc(C#N)cc2)o1 1117214018 GQBVBGAADJOJNN-HNNXBMFYSA-N 317.392 4.735 30 20 DJED Cc1cc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)ncc1C#N 1185365191 CCCYNEJDSFDIBU-XHBKTUGNSA-N 311.816 4.724 30 20 DJED CC(C)c1ccc2c(c1)[C@H](Nc1ncc(C#N)cc1F)CCC2 1186009755 BZWILMOOUPUFCT-GOSISDBHSA-N 309.388 4.705 30 20 DJED N#Cc1c(F)cccc1N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 1186176430 YETKZGCZFJTVPD-HQRMLTQVSA-N 320.411 4.860 30 20 DJED C[C@H]1CCCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 1190661002 OBJRHPPXMLUJII-KRWDZBQOSA-N 304.437 4.847 30 20 DJED C[C@H](CCC1CC1)NC(=O)Nc1scc(C(C)(C)C)c1C#N 1218514326 PYTZQEIKEIGXGA-LLVKDONJSA-N 319.474 4.617 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C/C=C\c1cccc(F)c1 1308577798 LTTYYEIBHLHNBH-PWEFBKGJSA-N 320.411 4.611 30 20 DJED CC[C@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccc(F)cc1 1320085292 GJOXVQXHMBUDMX-KUHUBIRLSA-N 312.388 4.530 30 20 DJED CSc1ccc(C(=O)/C=C/c2ncc(-c3ccccc3)[nH]2)cc1 1320864648 BGXZYAOQQKUCSP-VAWYXSNFSA-N 320.417 4.695 30 20 DJED C=C[C@H](CC(=O)N(CC)Cc1ccccc1F)c1ccccc1 1324464697 WFWZIDKUFJDPHP-MRXNPFEDSA-N 311.400 4.534 30 20 DJED C[C@H](Nc1ccc(Cl)c(C#N)n1)c1ccc(Cl)c(F)c1 1341438670 VOQQYFZPEGFKCU-QMMMGPOBSA-N 310.159 4.572 30 20 DJED C[C@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C1CCC1 1353177241 HZESNIMKWFGGGS-AWEZNQCLSA-N 320.392 4.725 30 20 DJED CC[C@@H](OC(=O)c1csc(C#N)c1)C(C)(C)c1ccccc1 1456619566 ZWUTVJYAIWQWBR-MRXNPFEDSA-N 313.422 4.533 30 20 DJED CCCc1ccc(CSc2nc3c(c(C)c2C#N)CCC3)cc1 1472951700 HVAGESGLRIZJOP-UHFFFAOYSA-N 322.477 4.995 30 20 DJED COc1ccc(CNc2cc(C)cc(C(F)(F)F)c2)cc1C#N 1474202598 NKNGPGPCMGOYFS-UHFFFAOYSA-N 320.314 4.506 30 20 DJED CCCN(Cc1ccc(C#N)c(C)c1)[C@H](C)c1ccccc1OC 1474373551 AAWWPJTZOFYNHI-QGZVFWFLSA-N 322.452 4.849 30 20 DJED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCC[C@@H](C(C)C)CC2)c1 1476740404 LGYMMUMLUYVSBJ-IAGOWNOFSA-N 313.445 4.593 30 20 DJED Cc1ccc(C#N)cc1C(=O)N[C@@H](c1ccccc1)C1CCCC1 1519632387 ITVWWGSEKJMLAH-FQEVSTJZSA-N 318.420 4.528 30 20 DJED Cc1ccc(C)c(C(=O)[C@@H](C)Sc2ccc(C#N)c(C)c2)c1 1641222629 HFSGAJRCJCKKTA-OAHLLOKOSA-N 309.434 4.847 30 20 DJED C[C@@H]1C[C@@H](Nc2c(C#N)cccc2C#N)C[C@H](c2ccccc2)C1 1651145087 YQOBQJJBYGBZCE-CWFSZBLJSA-N 315.420 4.814 30 20 DJED CC(C)(C)c1ccc2c(c1)CCN([C@H](C#N)c1ccccc1)C2 1653271527 HTMQRFGGJNADNL-HXUWFJFHSA-N 304.437 4.607 30 20 DJED CCCc1c(N[C@@H](C)C2CCCC2)cnn1-c1cccc(C#N)c1 1657821213 QFYDBFYKMWVSNB-HNNXBMFYSA-N 322.456 4.687 30 20 DJED C[C@H](CCC#N)CNCC1(c2cccc(Cl)c2F)CCCC1 1658849255 VBYMEQGCPANRCY-CQSZACIVSA-N 322.855 4.820 30 20 DJED C[C@H](CC(C)(C)C#N)N[C@H](C)c1cccc(OC(F)(F)F)c1 1658852450 IGQJJSZIKYYRHU-VXGBXAGGSA-N 314.351 4.564 30 20 DJED CCN(C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@H](C)C(C)C 1672202276 ZNYQYUJJWZEGEN-GFCCVEGCSA-N 321.490 4.816 30 20 DJED O=C(O)c1cccc(NN=Cc2ccc(-c3ccsc3)cc2)c1 1776038432 KFNFBQIHSXUEEU-UHFFFAOYSA-N 322.389 4.559 30 20 DJED CC(C)Cc1ccc(C(=O)/C=C/c2csc(C(=O)O)c2)cc1 1776339829 SYFIMXGNDNQWPY-VMPITWQZSA-N 314.406 4.541 30 20 DJED N#CC1(NC(=O)c2sc3ccccc3c2Cl)CCCCC1 79215 ZQROHWCZMDCDJS-UHFFFAOYSA-N 318.829 4.511 30 20 DJED N#Cc1ccc(COc2ccc(Br)cc2Cl)cc1 5829855 CKXBSXVIRRTJEO-UHFFFAOYSA-N 322.589 4.553 30 20 DJED Cc1ccsc1/C=C\C(=O)c1ccc(Br)cc1 33695392 DQCHCMXSYQKKMY-SREVYHEPSA-N 307.212 4.715 30 20 DJED C/C=C/C=C/C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 56469627 GKSOSZYAPWDDMM-VNKDHWASSA-N 318.376 4.730 30 20 DJED C=CCOc1ccccc1CNCc1cccc2ccccc12 63775809 MOEALVZCLHLZCM-UHFFFAOYSA-N 303.405 4.694 30 20 DJED O=C1/C(=C\c2csc(-c3cccs3)n2)Cc2ccccc21 209743342 OTVBPGVANLHCEL-XFXZXTDPSA-N 309.415 4.694 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)/C=C1\CC[C@@H](C)C1 267827881 BVFJEIAMVPWIJU-OUXOPYRJSA-N 314.454 4.766 30 20 DJED C[C@@H](CC(C)(C)c1ccccc1)Nc1ccc(OCC#N)cc1 319831298 LCCKGTXSZHXVEG-INIZCTEOSA-N 308.425 4.757 30 20 DJED OC(=Nc1ccc2nc(C(F)F)[nH]c2c1)[C@@H]1CC12CCCC2 328877434 IPMKVMQHYAMAQL-JTQLQIEISA-N 305.328 4.669 30 20 DJED Cc1c(C2CCCCC2)noc1N=C(O)C[C@@H]1CCCCO1 330124625 ICHAIBNVPXIETF-AWEZNQCLSA-N 306.406 4.578 30 20 DJED C[C@H](NCC(C)(C)CCC#N)c1ccc(-c2ccncc2)cc1 348222930 WRLKCHRXWWMTRG-INIZCTEOSA-N 307.441 4.729 30 20 DJED N#Cc1c(F)cccc1CSCc1nc2ccccc2s1 427830075 UIACPWCHQJKHIC-UHFFFAOYSA-N 314.410 4.740 30 20 DJED CC(C)(C#N)c1ccccc1CN(C#N)c1ccccc1Cl 429784537 OCPAJGWCKUWCRS-UHFFFAOYSA-N 309.800 4.629 30 20 DJED COc1cccc(C2CCN([C@@H](C)c3cccc(C#N)c3)CC2)c1 442675322 GDZQPPLRIQCFTI-INIZCTEOSA-N 320.436 4.507 30 20 DJED C=CC[C@@H](C)NC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl 442719807 XCEBFZSSTDDPSF-SNVBAGLBSA-N 323.223 4.683 30 20 DJED N#C[C@H]1CC[C@H](Sc2nnc(-c3ccc4ccccc4c3)o2)C1 450810681 MXCVDJABCWMLMU-LRDDRELGSA-N 321.405 4.674 30 20 DJED C=CCC1(C(=O)NCCC2CC(OC(C)(C)C)C2)CCCCC1 451202649 XTTOKDANMARVIR-UHFFFAOYSA-N 321.505 4.613 30 20 DJED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CC1CCC1 463142216 PCWXAFLMJPLSDR-UHFFFAOYSA-N 320.392 4.788 30 20 DJED C[C@@H](C(=O)N(CC(C)(C)C)c1ccccc1)c1cccc(C#N)c1 464459918 JNOSODNJFCAOPL-MRXNPFEDSA-N 320.436 4.741 30 20 DJED Cc1cccnc1[C@@H]1CCC[C@@H](N[C@@H](C)c2ccc(C#N)cc2)C1 467376103 IMTHBTBDXAVZHP-PWIZWCRZSA-N 319.452 4.639 30 20 DJED C=CCSc1ccccc1C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 485465673 NEWJEIGQHOYEBW-OWCLPIDISA-N 315.482 4.663 30 20 DJED C=CCC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 487745988 BWGYRFUDLIUDIV-KRWDZBQOSA-N 324.380 4.592 30 20 DJED C=C(C)COc1cc(CNc2cc(C)cc(C)c2)ccc1OC 522283741 ARCRJTWTQXLTNZ-UHFFFAOYSA-N 311.425 4.879 30 20 DJED C=C[C@H](CC(=O)N1CCc2cccc(F)c2[C@@H]1C)c1ccccc1 535397416 UKHXNPZDMLUVRD-JKSUJKDBSA-N 323.411 4.631 30 20 DJED C=C[C@H](CC(=O)N[C@H](C)[C@H](C)c1ccccc1)c1ccccc1 536171979 WVXVNRMBTFSIFC-RCCFBDPRSA-N 307.437 4.655 30 20 DJED CCOc1ccccc1[C@H](CC(C)C)NCCC(C)(C)C#N 540713570 HZBRVONZEKLTDT-KRWDZBQOSA-N 302.462 4.702 30 20 DJED CCOc1ccccc1[C@@H](CC(C)C)NCCC(C)(C)C#N 540713571 HZBRVONZEKLTDT-QGZVFWFLSA-N 302.462 4.702 30 20 DJED C[C@@H](C#N)CNCc1ccc(-c2ccc(Cl)c(Cl)c2)o1 541763269 GTYHEVGJUAVHCR-JTQLQIEISA-N 309.196 4.503 30 20 DJED C=CCCC1(c2nc([C@@H](OCC)c3ccc(C)cc3)no2)CC1 554812998 PMOOPZWYQHBMEL-INIZCTEOSA-N 312.413 4.502 30 20 DJED Cc1c(F)cccc1NC(=O)c1sc2ccc(C#N)cc2c1C 556449581 NXTNCGLGAMQWBA-UHFFFAOYSA-N 324.380 4.781 30 20 DJED C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@H]1c1cccc(C)c1 565273905 PXADPMFPDNGYIJ-WMZOPIPTSA-N 324.472 4.628 30 20 DJED CC(C)(CC#N)CNC(=O)Nc1ccc2oc3ccccc3c2c1 565936276 FSSGNOQTWYAATI-UHFFFAOYSA-N 321.380 4.647 30 20 DJED CC(C)c1ccc(-c2nnc(SCC3(C#N)CCC3)o2)cc1 568356234 RYYKWRUMPIQAPR-UHFFFAOYSA-N 313.426 4.646 30 20 DJED C=CCC[C@H](Nc1ccc2oc(N(C)C)nc2c1)c1ccco1 584854892 FITNWKSKRCUOSR-AWEZNQCLSA-N 311.385 4.606 30 20 DJED CC1(C)CN(C(=O)CC2(C#N)CCCCC2)[C@@H]1c1cccs1 596001713 AOFYIHAQIDINOM-MRXNPFEDSA-N 316.470 4.522 30 20 DJED Cc1ccc([C@H](C)N(C)C(=O)Nc2ccc(CC#N)cc2)c(C)c1 604082939 FPMKJQOVXVJKCQ-INIZCTEOSA-N 321.424 4.594 30 20 DJED N#Cc1ccc(CSCc2cc(-c3cccs3)on2)cc1 609900869 PMVOXRFBSMVQNX-UHFFFAOYSA-N 312.419 4.708 30 20 DJED C[C@H](NCc1cc(Cl)cc2cccnc12)c1cccc(C#N)c1 610786922 GNPJMMSNVWOTFL-ZDUSSCGKSA-N 321.811 4.611 30 20 DJED CCc1c(C(=O)/C=C/c2cccnc2Cl)oc2ccccc12 728700527 RJQIZDCOSVVTSG-MDZDMXLPSA-N 311.768 4.940 30 20 DJED COc1cccc2cc(C(=O)/C=C\c3ccc(C)c(F)c3)oc12 731490123 RJEMRTLTIKWYKS-HJWRWDBZSA-N 310.324 4.785 30 20 DJED Cc1ccsc1C(=O)/C=C/c1cccc(OC(F)(F)F)c1 733749730 VZSJWHGHXINPIL-AATRIKPKSA-N 312.312 4.851 30 20 DJED C=CCN(C(=S)N[C@H](CC)c1cccs1)c1ccccc1 734368809 LBECSQASDIHCPJ-OAHLLOKOSA-N 316.495 4.766 30 20 DJED COc1cccc2cc(C(=O)/C=C\c3cc(C)ccc3F)oc12 734981046 MOTYQXWOFBCWTQ-CLFYSBASSA-N 310.324 4.785 30 20 DJED O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)c1cncs1 735793371 WWDNAEAFCDYBBW-FNORWQNLSA-N 315.394 4.907 30 20 DJED C#Cc1cccc(NC(=O)c2cccc(N[C@H](C)C(C)C)c2C)c1 741744675 BPAOEQFCXKLXOO-MRXNPFEDSA-N 320.436 4.685 30 20 DJED C=CC[C@@H](C)C(C)=NNc1c(F)cc(F)cc1Br 741772612 WOPBVRJZTKQDPO-MRVPVSSYSA-N 317.177 4.727 30 20 DJED O=C1/C(=C/c2ccccc2OC(F)F)Cc2cc(Cl)ccc21 742437699 PITCIIBGQHCBLX-KPKJPENVSA-N 320.722 4.764 30 20 DJED C[C@@H]1CCCC1=NNc1nc2cc(C(F)(F)F)ccc2s1 743445347 QPJHGDBUYWNTAR-MRVPVSSYSA-N 313.348 4.903 30 20 DJED FC(F)(F)c1ccc(CON=Cc2c[nH]c3ccccc23)cc1 746577497 SARUSNHNWYREPN-UHFFFAOYSA-N 318.298 4.737 30 20 DJED Cc1ccc(-c2nc(/C=C\C(=O)c3sccc3C)co2)cc1 749893823 LWSONUHQUMWWMI-FPLPWBNLSA-N 309.390 4.916 30 20 DJED CC(=NNc1nncc2ccccc12)c1cc2ccc(C)cc2o1 754896133 YWPDBHZKHFRZIZ-UHFFFAOYSA-N 316.364 4.521 30 20 DJED Cc1cncc(C(=O)/C=C\c2ccc(OC(F)F)c(Cl)c2)c1 767365837 BPSUZALWABGEHQ-RQOWECAXSA-N 323.726 4.541 30 20 DJED CC(=NNc1ncc(Cl)cc1Cl)c1cccc(F)c1F 776256927 HOYDPFGVIAPSOJ-UHFFFAOYSA-N 316.138 4.503 30 20 DJED CC[C@@H](CC#N)OC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C 787092693 RZMMHXSLVFEXCC-QAPCUYQASA-N 324.424 4.563 30 20 DJED C=CCC[C@@H](C(=O)Nc1cc(C)cnc1Cl)c1ccccc1 787976140 DDDPXBHWLSCBGZ-OAHLLOKOSA-N 314.816 4.732 30 20 DJED CC(=NOCCC(F)(F)F)[C@@H]1C[C@H]1c1ccc(Cl)s1 788440235 FLZBJLAKMQARQG-DTWKUNHWSA-N 311.756 4.850 30 20 DJED Cc1ccc(C(=O)/C=C\c2cscc2Br)s1 794696151 CLZMQDWNMSTZJS-ARJAWSKDSA-N 313.241 4.777 30 20 DJED COc1ccc(/C=C/C(=O)c2cc3ccccc3o2)c(Cl)c1 796992560 SJLFSOWQCMKNJA-VQHVLOKHSA-N 312.752 4.991 30 20 DJED C#CC[C@H](N[C@H]1CCC[C@@H](c2ncccc2C)C1)c1ccccc1 798930898 CLLYYETULAMQEQ-HKBOAZHASA-N 318.464 4.770 30 20 DJED N#C[C@H](C(=O)C1CCCCCCC1)c1cc(C(F)(F)F)ccn1 813215154 SYJLQSHUGLIEDW-AWEZNQCLSA-N 324.346 4.637 30 20 DJED CCCCCCCCC(=O)Nc1nc(-c2cccnc2)cs1 825104609 BCHBWZRKTAUGKC-UHFFFAOYSA-N 317.458 4.894 30 20 DJED CC(C)c1ccc([C@@H](NCC2(CC#N)CC2)c2cccnc2)cc1 926347528 ZLZNBPJVGUPCNC-HXUWFJFHSA-N 319.452 4.578 30 20 DJED Cc1ccc(C(=O)N2CCCCC[C@H]2c2ccccc2)cc1C#N 1125564724 DSIRUUONEZGTKN-FQEVSTJZSA-N 318.420 4.624 30 20 DJED C[C@@H](C(=O)Nc1scc(C(C)(C)C)c1C#N)c1ccccc1 1129478042 NFTIXFMRFQZAMN-GFCCVEGCSA-N 312.438 4.659 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)CCc2ccc(-c3ccccc3)o2)C1 1129607735 TWKBCWSKBSLFBG-QAPCUYQASA-N 323.392 4.505 30 20 DJED CCc1ccc(-c2ccc(C(=O)O[C@@H]3CCC[C@H](C#N)C3)o2)cc1 1129725427 VMEOESJYTULUGB-DOTOQJQBSA-N 323.392 4.748 30 20 DJED CCN(CCc1ccccc1Cl)[C@H](C)c1ccc(C#N)cc1 1167132107 XFFXUNYEQRVHFG-OAHLLOKOSA-N 312.844 4.837 30 20 DJED CC(C)N(Cc1cccc(F)c1C#N)[C@@H](C)c1ccsc1 1206329505 YQRNZJGMBGKTDX-ZDUSSCGKSA-N 302.418 4.730 30 20 DJED C=CCC1(c2nnc([C@@H](C)Oc3ccccc3F)o2)CCCC1 1327330860 GZJNLVLOXAXPKQ-CYBMUJFWSA-N 316.376 4.737 30 20 DJED C=CCC1(c2nnc([C@H](C)Oc3ccccc3F)o2)CCCC1 1327330862 GZJNLVLOXAXPKQ-ZDUSSCGKSA-N 316.376 4.737 30 20 DJED CC#CCCCC(=O)N(c1ccccc1)c1cccc(OC)c1 1350147151 IRXMIWYAWABKBG-UHFFFAOYSA-N 307.393 4.554 30 20 DJED Cc1c(C#N)cccc1NC(=O)[C@H](CCc1ccccc1)C(C)C 1355858624 SJBLZLZJQNGHEE-LJQANCHMSA-N 320.436 4.710 30 20 DJED CCC(C#N)(CC)C(=O)N[C@H](CC(C)C)c1ccccc1C 1435139916 QZBBIKFYBFBCBG-QGZVFWFLSA-N 300.446 4.528 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)N(CC)c1ccc(C#N)cc1 1435248060 ICCHGPRUOACQON-SFHVURJKSA-N 312.457 4.908 30 20 DJED Cc1nsc(Sc2cc(Cl)ccc2Cl)c1C#N 1458057176 YDRGWCHGVJWXFP-UHFFFAOYSA-N 301.223 4.781 30 20 DJED CCC[C@@H](CC(C)C)C(=O)Nc1cc(C#N)ccc1OC(C)C 1518644168 TWPGRPGXBYHASP-INIZCTEOSA-N 316.445 4.746 30 20 DJED CC[C@H](C(=O)Nc1cc2ccccc2cc1C#N)c1ccccc1 1528323706 XAFXGOSVGRTGHI-IBGZPJMESA-N 314.388 4.844 30 20 DJED CC(C)CC1(NC(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 1562850944 GYAAWIXCSMZQIO-UHFFFAOYSA-N 319.474 4.617 30 20 DJED CCC[C@@H](NC(=O)N[C@H](CCC#N)c1ccccc1)C(C)(C)C 1564398984 WPECFGKZZDZPTD-IAGOWNOFSA-N 315.461 4.545 30 20 DJED CC1(CNc2nc(C(F)(F)F)ccc2C#N)CCCCCC1 1612189814 OBHBXTKGUQAJIF-UHFFFAOYSA-N 311.351 4.744 30 20 DJED C[C@@H](N[C@H](C)c1cc(Cl)ccc1F)c1cccc(C#N)c1 1616623542 TXLNYSOIIKEYKL-VXGBXAGGSA-N 302.780 4.763 30 20 DJED C[C@H](CC(C)(C)C#N)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 1621392159 OODDNHNAHNFRKV-FRFSOERESA-N 304.865 4.894 30 20 DJED Cc1nc(N[C@@H](C)c2c(F)cccc2Cl)c(Cl)cc1C#N 1639582365 BTTAAOHLYMIZLA-VIFPVBQESA-N 324.186 4.881 30 20 DJED Cc1ccc(-n2ccnc2SCc2ccc(C#N)cc2)c(C)c1 1643526279 MELCZJGDVPTDTL-UHFFFAOYSA-N 319.433 4.653 30 20 DJED C[C@H]1CN(CCCC(C)(C)C#N)CCc2ccc(Cl)cc21 1646601498 IOPRMFNVRNRDCP-AWEZNQCLSA-N 304.865 4.632 30 20 DJED C[C@H](CCC#N)CN(CCc1ccc(F)cc1)C1CCCC1 1651881389 WRJIXSJZIPSSRN-MRXNPFEDSA-N 302.437 4.553 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1cccc2ncccc12 1652383874 ZQZBUZYFLRQIQJ-UHFFFAOYSA-N 315.420 4.517 30 20 DJED N#Cc1ccccc1SCc1cscc1Br 1652664964 SYYAWRUZZYADCC-UHFFFAOYSA-N 310.241 4.675 30 20 DJED CC[C@@H](Cc1ccc(Cl)cc1)Nc1cccc(OCC#N)c1 1657713587 QKOILHVQQKRHLR-INIZCTEOSA-N 314.816 4.676 30 20 DJED CC[C@H](c1ccccc1)N(CC)Cc1ccc(C#N)c(OC)c1 1659062407 YOTVMOBJWAWAFI-LJQANCHMSA-N 308.425 4.540 30 20 DJED Cc1ccccc1CN(Cc1ccccc1)C[C@H](C)CCC#N 1663703917 PESZRKYWIRHYQQ-GOSISDBHSA-N 306.453 4.937 30 20 DJED CC[C@@H]1CCC[C@@H](CN2CCC(c3ccc(C#N)cc3)CC2)C1 1665780860 SUCNGLYINJELGZ-IEBWSBKVSA-N 310.485 4.954 30 20 DJED CC[C@H](C)c1ccc(C(=O)/C=C\c2ccc(C(=O)O)s2)cc1 1776697881 UOGYHIOHDARWEY-CUZBXDDWSA-N 314.406 4.856 30 20 DJED CCCCOc1ccc(/C=C\C(=O)c2cccs2)cc1OC 209987706 PFIGLJTWEZWJIK-CLFYSBASSA-N 316.422 4.832 30 20 DJED CCOc1ccc(/C=C\C(=O)c2cc(C)sc2C)cc1OC 213707774 CSKJUJSBCOTKNG-VURMDHGXSA-N 316.422 4.668 30 20 DJED C[C@H](N[C@H](C)c1ccccc1OC(F)F)c1ccc(C#N)cc1 268808244 MYZAPFTVAGSQEC-QWHCGFSZSA-N 316.351 4.571 30 20 DJED OC1=NCc2ccc(N=C(O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)cc21 329086047 GPMMYLQDYZQLEX-UHOFOFEASA-N 312.413 4.699 30 20 DJED C[C@H](N[C@@H](CCC#N)c1ccccc1)[C@@H]1C[C@H]1c1cccs1 417313169 VAYZWEXFUSYHPW-OWLYRPNTSA-N 310.466 4.875 30 20 DJED N#CCC1(CN[C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 430737601 JDHTVOOQXGMMRY-OAHLLOKOSA-N 309.240 4.728 30 20 DJED Cc1cc(C#N)cc(C)c1OCc1cc(-c2ccc(F)cc2)no1 462641440 QSNBHHHDUDXSLD-UHFFFAOYSA-N 322.339 4.548 30 20 DJED C=CCC[C@H](CCC)Nc1ccc(F)cc1-c1nnc(C)o1 475346312 CGDKTLGEQDNRTK-AWEZNQCLSA-N 303.381 4.731 30 20 DJED Cc1cc(Cl)cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 477206405 VQOPEHHVMXOJMS-UHFFFAOYSA-N 312.800 4.702 30 20 DJED CCN(Cc1ccc(Cl)cc1C#N)[C@@H](C)c1cccc(O)c1 480593886 SZPQBROAAYQUAM-ZDUSSCGKSA-N 314.816 4.500 30 20 DJED N#Cc1cccc(CN[C@@H]2CCCc3c2sc2ccccc32)c1 480811136 HAXGXWBUIDNXKK-GOSISDBHSA-N 318.445 4.940 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1c(F)cccc1Cl 482766562 YMJJMGHEYPJMNK-UHFFFAOYSA-N 309.812 4.688 30 20 DJED CCCCCN(CCCCC)C(=O)c1cccc(CC#N)c1 500040306 QPNQOVKYLHGOCS-UHFFFAOYSA-N 300.446 4.575 30 20 DJED CC(C)(C)c1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c1 521458035 AFVXRTWNEGJGGV-OAHLLOKOSA-N 318.376 4.615 30 20 DJED C=C[C@@H](CC(=O)N(C)c1ccc(SC)cc1)c1ccccc1 534686221 FKJAHBABMHNVGK-HNNXBMFYSA-N 311.450 4.731 30 20 DJED C=C[C@H](CC(=O)Nc1ccc(F)cc1Cl)c1ccccc1 534703627 BFPWKBRGWAPKKS-GFCCVEGCSA-N 303.764 4.778 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(Cl)s1 537623114 WXHLSJVKDDEHQJ-CVEARBPZSA-N 316.857 4.673 30 20 DJED Cc1ccccc1[C@@H](CC(C)C)NCc1ccc(CC#N)cc1 541325464 MBJWBLZNDJLHHG-OAQYLSRUSA-N 306.453 4.938 30 20 DJED C=CCC[C@H](Nc1cc(OC)c(C)c(OC)c1)c1ccco1 550847001 DFNYYOQOUZKMAT-HNNXBMFYSA-N 301.386 4.725 30 20 DJED Cc1cc(Cl)c2ncc(C#N)c(N3Cc4ccccc4C3)c2c1 558791155 LYBQXCMXRYIAMU-UHFFFAOYSA-N 319.795 4.589 30 20 DJED N#CCc1cccc(NCc2cnc(C3CCCCC3)s2)c1 574720131 AKVPOZNQCWHEKV-UHFFFAOYSA-N 311.454 4.869 30 20 DJED CC[C@H](C#N)C(=O)Nc1cccc(CSCc2ccccc2)c1 593475950 VCZNEKYIAKNVLC-QGZVFWFLSA-N 324.449 4.608 30 20 DJED N#Cc1cccnc1N[C@H](CCc1ccccc1)c1ccccc1 603867671 ZIMKVYCKYYGGGY-HXUWFJFHSA-N 313.404 4.739 30 20 DJED CC(C)[C@H](CC(F)(F)F)N[C@H]1CCCc2cc(C#N)ccc21 615096759 IRALZWDKRSAUHY-HOTGVXAUSA-N 310.363 4.502 30 20 DJED C=C(C)[C@H](N[C@H](C)c1nc(C)cs1)c1ccc(F)c(F)c1 623963753 OGYJJMXMMBMLOU-ABAIWWIYSA-N 308.397 4.698 30 20 DJED C=C(C)[C@H](N[C@@H]1CCCc2ncccc21)c1ccc(F)c(F)c1 631619272 SGNRFJXFFDXQQF-MOPGFXCFSA-N 314.379 4.644 30 20 DJED CC(C)CC(=NNc1cnc2ccccc2n1)c1cccs1 727257006 BKCFKAUDXZYCEH-UHFFFAOYSA-N 310.426 4.554 30 20 DJED C#Cc1cccc(N(CC)C(=O)c2cccc(Cl)c2Cl)c1 728481315 WPMHNZIBDVXLRV-UHFFFAOYSA-N 318.203 4.641 30 20 DJED C=CCCOC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 729072438 KANVPCDUINFFCQ-UHFFFAOYSA-N 301.411 4.666 30 20 DJED COc1ccc2oc(C(=O)/C=C\c3ccc(F)cc3)c(C)c2c1 729151960 ZGODEYISAMOWTN-UITAMQMPSA-N 310.324 4.785 30 20 DJED O=C1/C(=C\c2ccccc2C(F)(F)F)COc2ccc(F)cc21 731565424 OSYKABADWIVTOC-XFFZJAGNSA-N 322.257 4.503 30 20 DJED C[C@@H](/N=C\c1cc(Cl)ccc1O)c1nc2ccccc2s1 734097118 YVDPKQNNODZBCU-PQQLAPNWSA-N 316.813 4.835 30 20 DJED C=CCCCCCN(C)C(=O)N[C@@H](C)Cc1ccccc1Cl 740031952 OERFQBXXFABLAR-HNNXBMFYSA-N 322.880 4.659 30 20 DJED CC(C)CC(=NNc1oc(C(C)(C)C)nc1C#N)c1ccccc1 746497209 CRSKBRMGKGNRDU-UHFFFAOYSA-N 324.428 4.706 30 20 DJED Cc1ccc(-c2nc(/C=C3/Cc4ccc(C)cc4C3=O)co2)cc1 749890936 DXKJYQSUHDGQNN-BOPFTXTBSA-N 315.372 4.781 30 20 DJED CCSc1cccc(C=Nn2c(CC)nc3ccccc32)c1 769775942 XDPLDIFPEPFVAR-UHFFFAOYSA-N 309.438 4.593 30 20 DJED Cc1ccncc1CCC=NNc1c(Cl)cccc1Cl 776726710 SRELNBYOCPIETF-UHFFFAOYSA-N 308.212 4.727 30 20 DJED CC(C)Oc1ccc(N[C@H]2CCCc3cc(C#N)ccc32)cc1 776812139 WGTNJUURROHART-FQEVSTJZSA-N 306.409 4.835 30 20 DJED C=CCC[C@H](C(=O)Nc1cnc(Cl)cc1C)c1ccccc1 777743133 YRKSRILMHXLBQF-HNNXBMFYSA-N 314.816 4.732 30 20 DJED O=C(/C=C\c1scnc1C1CC1)c1nc2ccccc2s1 782315828 YQWOOLGXOXYSBS-FPLPWBNLSA-N 312.419 4.526 30 20 DJED CC(C)(C)c1cnc(/C=C/C(=O)c2ccc(F)cc2F)s1 790603168 YVHFPPSNRGQCMS-VOTSOKGWSA-N 307.365 4.615 30 20 DJED COc1ccc(/C=C/C(=O)c2cc(F)ccc2F)c(Cl)c1 797156364 HHQGBARNHIHUFJ-XVNBXDOJSA-N 308.711 4.523 30 20 DJED C#Cc1ccc(CN[C@H](C)c2cccc(C(F)(F)F)c2)cc1 809424114 KSBGIGMGPPAADH-CYBMUJFWSA-N 303.327 4.538 30 20 DJED N#C[C@H](C(=O)CCC1CCCCC1)c1nc(C2CC2)cs1 842938016 JQALIOWNLUBGEE-CQSZACIVSA-N 302.443 4.557 30 20 DJED CCCC(=NNc1ncccc1C(F)(F)F)c1ccccc1 915050779 CCOQUZCGHVBKFH-UHFFFAOYSA-N 307.319 4.717 30 20 DJED CCCOc1cc(/C=C\C(=O)c2ccccc2F)ccc1OC 916135661 DYCXDRUPACSJSN-NTMALXAHSA-N 314.356 4.519 30 20 DJED CC[C@@H]1C[C@H]1CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 1165248451 DHFXZSAAYJWUAS-OLZOCXBDSA-N 324.449 4.840 30 20 DJED N#Cc1ccc(COc2ccc(Cl)cc2)c(Br)c1 1165917014 GYZXTRKXVOMHHG-UHFFFAOYSA-N 322.589 4.553 30 20 DJED Cc1cc(SCc2ccc(C(F)(F)F)cc2)ncc1C#N 1186368188 OCBURPVMTYZHFL-UHFFFAOYSA-N 308.328 4.573 30 20 DJED CC[C@@H](C)CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 1264789465 ARBULBOSTACVKO-CQSZACIVSA-N 308.381 4.725 30 20 DJED CC(C)(C)N(Cc1ccsc1)Cc1cccc(C#N)c1F 1307919288 BUSQVLSTNVZMSB-UHFFFAOYSA-N 302.418 4.560 30 20 DJED CCCCCC[C@@](C)(CC)C(=O)Nc1ccc(OCC#N)cc1 1318723743 QWCYEUGAUQJRKR-LJQANCHMSA-N 316.445 4.914 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)Nc1ccc(OCC#N)cc1 1318820642 ZOPKZBJSWXLOLB-MRXNPFEDSA-N 314.429 4.524 30 20 DJED CCN(C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1)[C@@H](C)c1ccc(C#N)cc1 1354057765 BLMRVXOWGDBGIC-CYJAXWMASA-N 312.457 4.540 30 20 DJED CC(C)c1ccc(CCC(=O)OCc2ccc(CC#N)cc2)cc1 1435687604 WIISXGWBXGOFGD-UHFFFAOYSA-N 321.420 4.552 30 20 DJED Cc1nc(NCc2csc3ccccc23)c(Cl)cc1C#N 1472658379 DYBJBNMSLDKYDI-UHFFFAOYSA-N 313.813 4.742 30 20 DJED Cc1ccc(F)cc1CN(Cc1ccc(C#N)cc1)CC(C)C 1473130531 URURCDVRRNGZPH-UHFFFAOYSA-N 310.416 4.664 30 20 DJED CCOc1ccc(C#N)cc1NC(=O)C[C@@H]1CCCCC1(C)C 1526633231 ZFQXHEMQGSSLQN-HNNXBMFYSA-N 314.429 4.502 30 20 DJED N#C[C@H](CCc1ccccc1)Sc1nc(-c2ccccc2)co1 1559405140 RHTDGMWYPSMMMO-KRWDZBQOSA-N 320.417 4.959 30 20 DJED N#CCCN(C(=O)CCC1CCCCCC1)c1ccc(F)cc1 1615362204 UDGMMNINLFWNPG-UHFFFAOYSA-N 316.420 4.823 30 20 DJED CC(C)Cc1ccc([C@H](Nc2ncccc2C#N)C(C)C)cc1 1639204681 OVUQIHRZSZIPBW-LJQANCHMSA-N 307.441 4.961 30 20 DJED Cc1cnc(C)c(Nc2ccc(Oc3ccc(C#N)cc3)cc2)n1 1639368721 ZKBRANDMFJMHIM-UHFFFAOYSA-N 316.364 4.501 30 20 DJED Cc1c(Cl)cnc(N(C)[C@H](C)c2cccc(Cl)c2)c1C#N 1642108766 DAKJDVWYLBSHAY-LLVKDONJSA-N 320.223 4.766 30 20 DJED CCSCc1cccc(Nc2snc(Cl)c2C#N)c1 1642310322 UZNRXGJYYGDDHI-UHFFFAOYSA-N 309.847 4.665 30 20 DJED N#Cc1cc(F)ccc1CN[C@@H]1CCCC[C@@H]1Cc1ccccc1 1653362242 COPPFDXINHRREN-DYESRHJHSA-N 322.427 4.588 30 20 DJED Cc1c(C#N)c(SCc2cc3ccccc3o2)nc2c1CCC2 1656128057 XNNDUPJDMFIMRY-UHFFFAOYSA-N 320.417 4.789 30 20 DJED C[C@@H](NCc1cccc(F)c1C#N)C1(c2ccccc2)CCCC1 1664341564 QFXJLPGCCLLORL-MRXNPFEDSA-N 322.427 4.687 30 20 DJED CC(CCCCc1ccccc1)=NNc1ccc(C(=O)O)cc1 1776013824 RTUAOMHPOYUQNB-UHFFFAOYSA-N 310.397 4.586 30 20 DJED Cc1c(NN=Cc2ccc(C3CCCC3)cc2)cccc1C(=O)O 1776088144 SLWWYORNGLWCRT-UHFFFAOYSA-N 322.408 4.797 30 20 DJED C=CCc1ccccc1/C=C\c1cc(C(=O)O)c2ccccc2n1 1776189107 NVCGDTKHCSFCHM-SEYXRHQNSA-N 315.372 4.832 30 20 DJED CC(C)[C@H]1/C(=C\c2ccc(C(=O)O)c(F)c2)C(=O)c2ccccc21 1776308848 QSMVYMRVKWVIGB-QJKHOBJASA-N 324.351 4.543 30 20 DJED COc1ccc(/C=C/C(=O)c2ccccc2C(F)(F)F)cc1F 18063171 GBFHFZTZIBBTGJ-SOFGYWHQSA-N 324.273 4.749 30 20 DJED Cc1ccc2cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)[nH]c2c1 25440290 KFMBLQHMLUWJCH-UHFFFAOYSA-N 317.392 4.530 30 20 DJED C[C@H](Nc1ccc(C#N)cc1Br)c1ccsc1 50342223 CGANWQAGZPSXML-VIFPVBQESA-N 307.216 4.555 30 20 DJED N#CC1(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)CCCC1 55949790 GDVFHKAOFGSPQI-UHFFFAOYSA-N 324.355 4.640 30 20 DJED N#Cc1ccc(Oc2cc(Cl)ccc2[N+](=O)[O-])c(Cl)c1 62794097 GURXUNBEBOQDFS-UHFFFAOYSA-N 309.108 4.566 30 20 DJED CCCCCCCC(=O)N[C@H](c1ccccc1)C(F)(F)F 105188332 SQASFWKTAJXBLE-OAHLLOKOSA-N 301.352 4.767 30 20 DJED C=CCCCS[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F 117944546 URDIFHOZTPBLDK-NSHDSACASA-N 317.376 4.732 30 20 DJED C=CCCCSCC(=O)Nc1c(Cl)cccc1Cl 117945063 KFHJSNFZAXNVEJ-UHFFFAOYSA-N 304.242 4.631 30 20 DJED C[C@@H](C#N)CSc1ccccc1NCCc1cccs1 155983990 YXVPCOQKOCPLAM-ZDUSSCGKSA-N 302.468 4.654 30 20 DJED C[C@H](NCCCCC#N)c1ccc(Oc2ccccc2)c(F)c1 178641585 KEZIJHLHGUDYDK-HNNXBMFYSA-N 312.388 4.962 30 20 DJED C/C=C(\C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 179350238 QLVLKMQREMYCKC-NUQDLXRASA-N 316.813 4.606 30 20 DJED N#Cc1ccsc1NC(=O)CCCc1ccc2ccccc2c1 182234097 XZZHMWZPHUCSTM-UHFFFAOYSA-N 320.417 4.734 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccoc1Cl 192308417 QXYONDQVCYBDKK-JTQLQIEISA-N 320.801 4.580 30 20 DJED CC[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccc(C)cc1 192995785 OAURFSQDDDBGPI-JXFKEZNVSA-N 308.425 4.699 30 20 DJED N#Cc1cccc(/C=C2/CCC/C(=C\c3cccc(C#N)c3)C2=O)c1 225501163 LENALXRGKSPEKI-AYRZQKSOSA-N 324.383 4.650 30 20 DJED Cc1cc(NCc2cc(C#N)cs2)cc(C)c1Br 235834128 YGPZTMVZAFCSFZ-UHFFFAOYSA-N 321.243 4.611 30 20 DJED N#Cc1csc(/C=C(/Cl)c2nc3cc(F)c(F)cc3[nH]2)c1 255357086 VCBCOAJTTBLKKP-XNWCZRBMSA-N 321.739 4.511 30 20 DJED Cc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)c1 264579905 WVFQRQCUVAKOSS-CQSZACIVSA-N 324.449 4.808 30 20 DJED C[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1cccc2ccccc12 301910555 XNYPCCXUZLAJJU-ZDUSSCGKSA-N 317.348 4.793 30 20 DJED N#Cc1ccc(CNc2ccc3c(c2)Cc2ccccc2-3)c(F)c1 323809281 ALPKLRMVORYKIW-UHFFFAOYSA-N 314.363 4.881 30 20 DJED Cc1cc(O)nc2cc(/C(O)=N/C3CCC(C)(C)CC3)ccc12 329664482 QJFJOICQQLCOLE-UHFFFAOYSA-N 312.413 4.522 30 20 DJED C=CCC[C@H](NC(=O)c1oc(C(C)C)nc1C)c1ccccc1 343211441 JESOTUALSFGQNO-INIZCTEOSA-N 312.413 4.544 30 20 DJED CC1CCC(CC(=O)Nc2cccc(OCCCC#N)c2)CC1 359708592 WLBKMOFIFSBITC-UHFFFAOYSA-N 314.429 4.524 30 20 DJED Cc1cc(Cl)cc(CNc2cccc(OCCCC#N)c2)c1 395240919 VNHWYYYLQXLJNM-UHFFFAOYSA-N 314.816 4.943 30 20 DJED CCCc1ccccc1NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425606169 IEGKWGKLJWYDPH-HNNXBMFYSA-N 321.424 4.736 30 20 DJED C=CCN(C)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 429384867 KDACVEQPCRZVMY-UHFFFAOYSA-N 316.788 4.782 30 20 DJED CCCCN(C(=O)c1cc(C#N)cs1)[C@H](C)c1ccccc1 437675219 OBQZNSRBMQXGES-CQSZACIVSA-N 312.438 4.623 30 20 DJED N#C[C@@H]1CC[C@@H](Nc2cccc(CSC3CCCC3)c2)C1 442849259 BQGXMOLDQHEBDF-RHSMWYFYSA-N 300.471 4.967 30 20 DJED C[C@H](N[C@@H]1CCC[C@H](C#N)C1)C(c1ccccc1)c1ccccc1 447538114 ALSDETQARZROAQ-BBTUJRGHSA-N 318.464 4.879 30 20 DJED CC[C@H](c1ccccc1)N(CC)C(=O)Nc1cccc(CC#N)c1 455920417 NKWDPOJLZXSCTE-LJQANCHMSA-N 321.424 4.758 30 20 DJED COc1ccccc1[C@@H](C)SCc1ccc(C#N)cc1F 463206911 QTXUHWZCECEANA-GFCCVEGCSA-N 301.386 4.700 30 20 DJED N#C[C@H]1CCC[C@H](NCc2ccc(OC3CCCCC3)cc2)C1 463293733 MOTZJKXCNHFICA-ROUUACIJSA-N 312.457 4.570 30 20 DJED C[C@@H](c1cc2ccccc2o1)N(C)Cc1cc(F)ccc1C#N 468886925 HNXMDRRMXKIKBO-ZDUSSCGKSA-N 308.356 4.637 30 20 DJED CC[C@H](C)[C@H]1CCCCN1C(=O)C[C@H](CC#N)c1ccccc1 476079014 IYPDDOUENMKJHU-YTQUADARSA-N 312.457 4.501 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC12CCCCC2 477076312 PMZIRTWFHUYUGI-LJQANCHMSA-N 324.468 4.513 30 20 DJED C[C@@H](NCC1(c2ccccc2Cl)CC1)c1ccc(C#N)cc1 478772571 FLBQIBFSWIZPNJ-CQSZACIVSA-N 310.828 4.594 30 20 DJED CCN(Cc1ccc(Cl)cc1C#N)[C@H](C)c1cccc(O)c1 480593885 SZPQBROAAYQUAM-CYBMUJFWSA-N 314.816 4.500 30 20 DJED C=CCSc1ccccc1C(=O)Nc1cc(C)cc(F)c1 485487717 GFRVZYGNTAJASQ-UHFFFAOYSA-N 301.386 4.665 30 20 DJED C[C@H](Cc1ccc(Cl)cc1Cl)NCc1cccc(C#N)c1 507911834 CUWQXKYQIDKKMA-GFCCVEGCSA-N 319.235 4.586 30 20 DJED C[C@@H]1CCCC[C@H]1CC(=O)Nc1cccc(OCCCC#N)c1 518801781 GSUKXRKXSIGPHQ-CVEARBPZSA-N 314.429 4.524 30 20 DJED C=CCC[C@@H](CC)Nc1cccc2c1CN(c1ccccn1)C2 537489124 GZLDLXGYMIYGLE-QGZVFWFLSA-N 307.441 4.759 30 20 DJED CC(C)(C#N)CCCOc1ccc(-c2ncc3n2CCCC3)cc1 556284972 PLBIGFFCPOLLJD-UHFFFAOYSA-N 323.440 4.595 30 20 DJED C=C[C@H](CC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1)c1ccccc1 557736129 IUGVHVFHOJUOFR-DBXWQHBBSA-N 319.448 4.956 30 20 DJED C=C(C)CCc1noc([C@H](F)c2ccc(C(F)(F)F)cc2)n1 566036240 YQHDOTQFNJEQBU-CYBMUJFWSA-N 314.282 4.656 30 20 DJED Cc1csc(NC(=O)c2ccc(Oc3ccccc3)o2)c1C#N 577538396 NRFJDYMABSGYMA-UHFFFAOYSA-N 324.361 4.566 30 20 DJED C=CCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 588029014 HKPYDOCUKWQTFH-INIZCTEOSA-N 305.830 4.573 30 20 DJED COc1ccc(N(CCC(C)C)C(=O)CCCCCC#N)cc1 588982950 YMRDCEQJXYSWFV-UHFFFAOYSA-N 316.445 4.548 30 20 DJED C[C@@H](N[C@@H]1CC(C)(C)Oc2ccc(F)cc21)c1cccc(C#N)c1 593723203 SGMDAKSCGRWNQF-FZKQIMNGSA-N 324.399 4.650 30 20 DJED CCCCc1ccc(C(=O)N(CC)c2ccc(C#N)cc2)cc1 611073666 YUBBVCSKCQVKJA-UHFFFAOYSA-N 306.409 4.568 30 20 DJED C=CCC[C@@H](NC(=O)N[C@@H](C)c1ccsc1)c1ccccc1 669875392 ZBORGZSJHFMQCC-WMLDXEAASA-N 314.454 4.816 30 20 DJED C(=NNc1cnc2ccccc2n1)c1ccccc1-c1ccccc1 727257411 MDBQIHWAIPLBHK-UHFFFAOYSA-N 324.387 4.743 30 20 DJED C#Cc1cccc(NC(=O)[C@H](SCc2ccccc2)C(C)C)c1 727300445 HQAWVCPXAPUHCL-LJQANCHMSA-N 323.461 4.564 30 20 DJED CCCCCCCCOCC(=O)N1CCC[C@@H]1c1cccs1 741520389 FPGNESYNEZOPCR-MRXNPFEDSA-N 323.502 4.789 30 20 DJED COc1ccc2c(c1)CC/C(=C\c1cc3ccccc3o1)C2=O 750899908 IBCMTZPQMWJORT-NTCAYCPXSA-N 304.345 4.654 30 20 DJED CCC(=NNc1nc(C(F)(F)F)cs1)c1ccc(F)cc1 755904261 MSVPQAOPQKTOLD-UHFFFAOYSA-N 317.311 4.527 30 20 DJED CC(C)CC1(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)CCC1 757297036 PYOJRJHDFGWDSI-INIZCTEOSA-N 306.409 4.627 30 20 DJED Cc1cncc(C(=O)/C=C\c2ccccc2OC2CCCC2)c1 767361334 OHMKUFIXUSIXLC-KHPPLWFESA-N 307.393 4.608 30 20 DJED C#Cc1ccc(C(=O)O[C@@H](C)c2sc3ccccc3c2C)nc1 767579561 SXLHBKKGTGTKEW-ZDUSSCGKSA-N 321.401 4.504 30 20 DJED Cc1ccc([C@@H]2CCC[C@@H]2Nc2cccc(OCC#N)c2)cc1 768518993 LBFKRAHQMCENLG-PMACEKPBSA-N 306.409 4.646 30 20 DJED CCCCCCC[C@@H](NCc1cnn(C)c1C)c1ccccc1 773117887 YCNATEONQIFKIO-HXUWFJFHSA-N 313.489 4.920 30 20 DJED CCCCOc1ccc(C(=O)/C=C\c2cnn(C(C)C)c2)cc1 789156596 CKKXXTFCGAHHES-WDZFZDKYSA-N 312.413 4.539 30 20 DJED CC[C@H](C)CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 790291530 CGZFVNDUNVJQNO-KXBFYZLASA-N 306.409 4.717 30 20 DJED CC[C@@H](Nc1nc(Cl)c(C#N)s1)c1cc(F)ccc1F 804494927 ATHBHHWOHDMIJL-SNVBAGLBSA-N 313.760 4.510 30 20 DJED C[C@@H](OC(=O)CCCCCC#N)c1cccc(Br)c1 805696275 CAJNCSNYINAMPH-GFCCVEGCSA-N 324.218 4.527 30 20 DJED Cc1cc(F)ccc1[C@H](C)Nc1cccc(OCCCC#N)c1 815602696 HNWROJLABSKVKS-HNNXBMFYSA-N 312.388 4.990 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)/C(F)=C\C2CCCCC2)n1 815970621 FAVQXFXBZDLQAR-JGWKKKPCSA-N 320.433 4.876 30 20 DJED Clc1ccc(C2=CCC(=NNC[C@H]3CCSC3)CC2)cc1 834979835 MCJJMLXREVGXKD-CYBMUJFWSA-N 320.889 4.606 30 20 DJED C[C@H](NN=C1CC[C@H](c2cccc(Cl)c2)C1)C(F)(F)F 841639865 HECBWGQKWYIUKP-ONGXEEELSA-N 304.743 4.504 30 20 DJED CC(=NNc1ccnc2cc(Cl)ccc12)c1cccs1 916269541 WIUCGQLUVFBFRP-UHFFFAOYSA-N 301.802 4.786 30 20 DJED CCC[C@@H]1CCC[C@H]1C(=O)N(CCC)Cc1ccc(C#N)cc1 1124959312 UOTQITZNJJGDBL-RTBURBONSA-N 312.457 4.513 30 20 DJED N#Cc1cccc(COc2ccc(Cl)c(Br)c2)c1 1189358804 SMMXWCVCWKAYRO-UHFFFAOYSA-N 322.589 4.553 30 20 DJED CSc1ccccc1[C@H](C)NCCC1(C#N)CCCCC1 1193839494 SPMPXIAQCXOVAV-HNNXBMFYSA-N 302.487 4.923 30 20 DJED CC[C@@H]1CCC[C@@H](Nc2nccc(Oc3cccc(C#N)c3)n2)C1 1306972384 HUBZWKOTOZBHHQ-GDBMZVCRSA-N 322.412 4.521 30 20 DJED C[C@H]1C[C@@H](C)N(CCC(C#N)(c2ccccc2)c2ccccc2)C1 1307489107 IDGXUIPYUYNSEI-RBUKOAKNSA-N 318.464 4.617 30 20 DJED C[C@H](NC(=O)CC#Cc1ccccc1)c1cc2ccccc2s1 1320941628 XZCQQMFESOAGIY-HNNXBMFYSA-N 319.429 4.520 30 20 DJED CC(C)Cc1nnc(-c2cccc(Nc3ccc(C#N)cc3)c2)o1 1322278794 JYPDVLNEMHRPSG-UHFFFAOYSA-N 318.380 4.550 30 20 DJED Cc1c(C#N)cccc1NC(=O)CSc1ccc(C(C)C)cc1 1457713192 IRIUFYULBKHSPW-UHFFFAOYSA-N 324.449 4.721 30 20 DJED CC(C)(CNc1c(C#N)cccc1C#N)Cc1cccc(Cl)c1 1458258126 DUBRFJVNKHQNKH-UHFFFAOYSA-N 323.827 4.764 30 20 DJED C[C@@H](NCc1ccc(Cl)cc1C#N)c1cccc(C2CC2)c1 1460157491 MAMVKJGPEDCSBR-CYBMUJFWSA-N 310.828 4.940 30 20 DJED Cc1ccc(C#N)cc1C(=O)N(C(C)C)[C@@H](C)c1ccsc1 1529325678 RBPSUEAYIBSNJB-AWEZNQCLSA-N 312.438 4.540 30 20 DJED N#C[C@H](c1ccccc1)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 1559628058 QIDXRWHNTWNLCT-WIYYLYMNSA-N 315.420 4.612 30 20 DJED C[C@@H]1CN([C@H](C#N)c2ccccc2)CCc2ccc(Cl)cc21 1619638725 GBGUNVMTBFQJEB-AUUYWEPGSA-N 310.828 4.566 30 20 DJED Cc1ccc(C2(CNCc3cc(C#N)cs3)CCCC2)c(C)c1 1620952966 RAIQEAZOQVVEKD-UHFFFAOYSA-N 324.493 4.838 30 20 DJED Cc1c(C#N)cccc1NCc1ccc(OCCC(C)C)cc1 1620954702 DGDXFLMZPGQHSJ-UHFFFAOYSA-N 308.425 4.904 30 20 DJED CCN(C[C@@H](C)C#N)C(=O)CC1CCC(C(C)(C)CC)CC1 1630277087 WCPDHGQTVJRNDR-GTPINHCMSA-N 306.494 4.627 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)CC[C@@H]1CCc2ccccc21 1643522690 BEIGUVWMSYFAPX-APWZRJJASA-N 304.437 4.671 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CC2(CCC2)c2c(F)cccc21 1644788622 VQOYIYNRYHIBLY-CQSZACIVSA-N 306.384 4.700 30 20 DJED COc1ccc(C(C)(C)C)cc1Nc1nc(C#N)c(Cl)s1 1649223999 FEBYUCKWFVMBEV-UHFFFAOYSA-N 321.833 4.718 30 20 DJED N#C[C@@H]1CCCN(Cc2cccc(-c3ccc(Cl)cc3)c2)C1 1653091413 YRHQQISHIMJCDA-INIZCTEOSA-N 310.828 4.743 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C/C=C/c1ccc(Cl)cc1 1653973119 WFPYPQFBXHIBHU-CSPWOOARSA-N 310.828 4.918 30 20 DJED CCC(C)(C)C1CCC(NCc2cc(C#N)ccc2F)CC1 1658608818 NRHCFLGKWDGDKM-UHFFFAOYSA-N 302.437 4.782 30 20 DJED O=C(O)c1ccccc1NN=C1CCCC[C@@H](c2ccccc2)C1 1776030359 QLSLCIOHYVIRSO-MRXNPFEDSA-N 322.408 4.901 30 20 DJED COC(=O)c1ccc(/C=C\C(=O)c2ccc3ccccc3c2)cc1 34859034 FEDHFRBGQKISSL-JYRVWZFOSA-N 316.356 4.523 30 20 DJED C=CCn1c(SCc2cccc(OC)c2)nc2ccccc21 58698011 YWIBZEZXMQTCIS-UHFFFAOYSA-N 310.422 4.523 30 20 DJED Cc1sc(NC(=O)c2oc3c(C)cccc3c2C)c(C#N)c1C 64680323 AQQLLPOXVUHWND-UHFFFAOYSA-N 324.405 4.852 30 20 DJED Cc1ccc(Oc2ccc(NC(=O)N(C)[C@H](C)CC#N)cc2)cc1 86280909 COJGNRCFFCORCS-OAHLLOKOSA-N 323.396 4.553 30 20 DJED COc1ccc(C(=O)/C=C\c2ccccc2C(F)(F)F)cc1F 96861771 BLYUPXWXZASFBW-VURMDHGXSA-N 324.273 4.749 30 20 DJED C=C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1 111074043 WJBRHJHNCZAPFQ-UHFFFAOYSA-N 317.841 4.861 30 20 DJED C=C[C@H](CC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccccc1 179497704 BRKMMTJHJPJUIO-XLIONFOSSA-N 318.420 4.508 30 20 DJED CC(C)CCOc1ccccc1CNCC(C)(C)CCC#N 236775219 FOIDBZVXLVQYAG-UHFFFAOYSA-N 302.462 4.531 30 20 DJED C=CCN(Cc1cccs1)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 248193668 NIAXBTMHFRWPIW-JKSUJKDBSA-N 303.471 4.501 30 20 DJED C[C@@H]1C[C@H](C(O)=Nc2ccc(-c3cncnc3)cn2)CC(C)(C)C1 328837680 TVWYYPRGGVTBLR-HIFRSBDPSA-N 324.428 4.589 30 20 DJED N#CCC[C@H](N[C@@H]1CCCc2ccc(F)cc21)c1ccccc1 344284219 CCOHTIMRDLGORR-VQTJNVASSA-N 308.400 4.838 30 20 DJED CC[C@H](NCC(C)(C)CCC#N)c1ccccc1OC(F)F 348203346 BXDUBXZZKHJWIS-AWEZNQCLSA-N 310.388 4.659 30 20 DJED Cc1cc(Cl)cc2c1OCCC[C@H]2NCC(C)(C)CCC#N 348213306 IJBJKZRGPWNDJQ-MRXNPFEDSA-N 320.864 4.782 30 20 DJED Cc1nc(-c2ccccc2NCc2ccccc2C#N)cs1 359620175 PTLDODNDBICKTH-UHFFFAOYSA-N 305.406 4.602 30 20 DJED Cc1ccc2sc(C(=O)Nc3ccc(C#N)cc3)c(C)c2c1 445246264 DFGCWUDIRIJQQE-UHFFFAOYSA-N 306.390 4.642 30 20 DJED C=CC(C)(C)C(=O)N1CCC(c2c[nH]c3c(CC)cccc23)CC1 448763261 HMGWDGHGSQHLSH-UHFFFAOYSA-N 324.468 4.649 30 20 DJED C=CC[C@H]1N(C(=O)Nc2scnc2C(C)C)CCCC1(C)C 455872379 WJCSOZXCYBHXHV-CYBMUJFWSA-N 321.490 4.865 30 20 DJED Cc1sc(NC(=O)c2ccc(C(C)(F)F)cc2)c(C#N)c1C 459848393 YIPYHZZQRLDGCV-UHFFFAOYSA-N 320.364 4.601 30 20 DJED CCc1cc(C#N)c(NC(=O)c2cccc3ccsc23)s1 464441426 NPTPPXBUDCCZKI-UHFFFAOYSA-N 312.419 4.649 30 20 DJED C=CCCCCNC(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C 472864258 QSUGDADCFXKQDC-CQSZACIVSA-N 323.506 4.634 30 20 DJED C=CCC(CC=C)C(=O)N(Cc1ccc(F)cc1)C(C)(C)C 484343422 SCRGFYGXYGHONM-UHFFFAOYSA-N 303.421 4.721 30 20 DJED CCS[C@@H]1CC[C@@H](N(C)Cc2ccccc2C(C)(C)C#N)C1 487392455 KQWISNYPBOXIGS-IAGOWNOFSA-N 316.514 4.594 30 20 DJED C=CC[C@H](C(=O)N(Cc1ccccc1)C1CC1)c1ccccc1 488968121 COGZUGHIIWTNMK-FQEVSTJZSA-N 305.421 4.538 30 20 DJED CC(C)[C@H]1CCC[C@@H](NCc2cccc(OCCCC#N)c2)C1 504164337 WPJTUNDBBZWVQF-RBUKOAKNSA-N 314.473 4.674 30 20 DJED CCCC[C@H](C)N(CCCC)C(=O)c1cccc(CC#N)c1 515014684 PSYOLAPEHNLLIA-INIZCTEOSA-N 300.446 4.574 30 20 DJED COc1cc(C)ccc1[C@@H](C)N[C@H](CCC#N)c1ccccc1 540148409 MXXDXJXLWKURAC-VQIMIIECSA-N 308.425 4.699 30 20 DJED C=CCCC[C@H](C)NC(=O)Nc1cccc(CC(F)(F)F)c1 540553931 RHGPQRAKZLLQKN-LBPRGKRZSA-N 314.351 4.658 30 20 DJED CC(C)CN(C(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 557760670 JYFLZZYEJFLPBP-UHFFFAOYSA-N 320.436 4.791 30 20 DJED Cc1nsc(Nc2ccc(CCC(F)(F)F)cc2)c1C#N 569762313 MDPLJXFPEAOFJX-UHFFFAOYSA-N 311.332 4.562 30 20 DJED C=CCCCCCN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 683780831 RIZSQVOVWGVJSD-RYUDHWBXSA-N 317.317 4.796 30 20 DJED COc1cccc(C=NN=C2c3ccccc3-c3ccccc32)c1 725798586 XZUWZUTXEYZXOW-UHFFFAOYSA-N 312.372 4.547 30 20 DJED C#Cc1cccc(NC(=S)N(c2ccccc2C)C(C)C)c1 729821813 WWQPUUFBQULXGJ-UHFFFAOYSA-N 308.450 4.588 30 20 DJED CCCCCCC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 733258739 JXEDBPHUQDLYFF-CYBMUJFWSA-N 313.228 4.645 30 20 DJED CCc1cccc2c(/C=C3/Cc4cc(F)ccc4C3=O)c[nH]c12 734304972 CSNBNIRTZDCWBM-ZROIWOOFSA-N 305.352 4.692 30 20 DJED COc1ccc2c(c1)C(=O)/C(=C\c1cc3ccccc3o1)CC2 741848884 QNAZYAYHFQIUBV-PTNGSMBKSA-N 304.345 4.654 30 20 DJED CC(C)(C)[C@H](C#N)OC(=O)c1ccc(-c2ccccc2Cl)o1 753951658 VLRCITSKUKDCDB-HNNXBMFYSA-N 317.772 4.695 30 20 DJED C=CC[C@@H](N[C@H](C)c1cc2c(cc1O)CCCC2)c1ccncc1 756583530 PHAWPNGAGIWPPH-FOIQADDNSA-N 322.452 4.634 30 20 DJED O=C(/C=C\c1ccc(OCC(F)(F)F)c(F)c1)c1ccccc1 758018545 YHIXREUWMKRYFQ-VURMDHGXSA-N 324.273 4.663 30 20 DJED N#Cc1c(F)ccc(/C=C/C(=O)c2cccc(F)c2F)c1Cl 761477943 CHMMEEHCQQUFCC-FNORWQNLSA-N 321.685 4.525 30 20 DJED CC1(C)CCc2cc(/C=C\C(=O)c3ccc(C#N)s3)ccc2O1 762441907 DHUGQRGATPUWGA-UTCJRWHESA-N 323.417 4.619 30 20 DJED C=CCn1c(SCc2cnc(Cl)s2)nc2ccccc21 767907161 PFZKXGGDLUICBI-UHFFFAOYSA-N 321.858 4.625 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)c(F)c1 772803342 STTMJUVXDDPPTJ-SREVYHEPSA-N 319.257 4.612 30 20 DJED O=C(/C=C\c1ccc(-c2c(F)cccc2F)o1)c1ccncc1 776188571 WMZHDWDQPKPVAS-XQRVVYSFSA-N 311.287 4.516 30 20 DJED CC(C)CCC[C@@H](NCc1ccc(C#N)cn1)c1ccccc1 783294213 MXGHHMDMVLRKEO-HXUWFJFHSA-N 307.441 4.610 30 20 DJED Cc1ccc(-c2ccc(C(=O)OCCCC(C)(C)C#N)s2)o1 784628623 RNRAXNVXZZHCIH-UHFFFAOYSA-N 317.410 4.803 30 20 DJED Cc1c(C(=O)/C=C\c2ccc3ccccc3c2)cnn1C(C)C 787187627 SYTLKJGBDXVUOR-LUAWRHEFSA-N 304.393 4.822 30 20 DJED C=CCC[C@H](C(=O)O[C@H](C)c1ncccc1F)c1ccccc1 791801980 UUQMNGDYEXJKBD-ZBFHGGJFSA-N 313.372 4.575 30 20 DJED O=C(/C=C\c1ccc(-c2ccc(F)cc2)o1)c1ccnc(F)c1 794718615 BZPODXXRTIHSFU-ALCCZGGFSA-N 311.287 4.516 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2ccc3c(c2)CCC=C3)cc1 795788858 CJGCRLOIWVKIRJ-UHFFFAOYSA-N 316.404 4.515 30 20 DJED C#CCN(Cc1ccccc1)Cc1csc(-c2ccsc2)n1 796639913 PPQMXLMJKOZSOJ-UHFFFAOYSA-N 324.474 4.507 30 20 DJED N#Cc1ccc(NN=C2CC[C@H]2C2CCC2)cc1C(F)(F)F 814828608 LKNIBPAHNIEIOL-ZDUSSCGKSA-N 307.319 4.555 30 20 DJED CCCCCCCC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C 829558020 VOUDHFNNTUKJBA-SFHVURJKSA-N 315.461 4.737 30 20 DJED CCc1ccc(C(=O)/C=C/c2ncc(CSC)s2)s1 834412328 AQAQQIDOEVZMBB-FNORWQNLSA-N 309.481 4.526 30 20 DJED CC[C@H](CC(F)(F)F)C(=O)Nc1cc2ccccc2cc1C#N 839438158 WFHKGGACYNVNIC-LLVKDONJSA-N 320.314 4.629 30 20 DJED C[C@H](Nc1ccc2ccnc(Cl)c2c1)c1cccc(C#N)c1 864018680 PFZNSESLDGAAPE-LBPRGKRZSA-N 307.784 4.933 30 20 DJED C[C@H](CCC#N)CNc1cccc(CC[C@H](O)c2ccccc2)c1 876859910 OMBFNHRMMHDOSN-UTKZUKDTSA-N 322.452 4.705 30 20 DJED O=C1/C(=C\c2ccccc2Cl)CCOc2ccc(F)cc21 913619578 BJZMXKUWJFDYGJ-XFXZXTDPSA-N 302.732 4.528 30 20 DJED Cc1ccc(/C=C\C(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 916136402 LZSPNBCGRJICQS-FLIBITNWSA-N 317.344 4.953 30 20 DJED CCCCSc1nnc(SCC2(C#N)CCCC2)s1 916210638 QFERHTFVAFIQHH-UHFFFAOYSA-N 313.517 4.606 30 20 DJED CC(=NNc1ccc(Br)c(C)c1)c1cccs1 920479114 KLIMIZOHXJECHG-UHFFFAOYSA-N 309.232 4.655 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C[C@H]1C[C@@H]1c1ccccc1 1204803780 QUKZRSGPIJALKF-NHCUHLMSSA-N 304.437 4.574 30 20 DJED CC(C)OC[C@@H](C)Nc1ccc(Oc2ccccc2)c(C#N)c1 1205493099 QRKOOBWIIFZFHT-OAHLLOKOSA-N 310.397 4.576 30 20 DJED CCC1(CC)CCCN(c2nc(C)c(C#N)cc2Cl)CC1 1307093646 PROCZFKZJKHLMM-UHFFFAOYSA-N 305.853 4.712 30 20 DJED CCN(Cc1ccc(C#N)cc1Cl)c1ccc2[nH]ccc2c1 1307694016 ZGCAJPGJVLIIQC-UHFFFAOYSA-N 309.800 4.719 30 20 DJED Cc1ccc2cc([C@@H](C)Nc3ccc(OCC#N)cc3)oc2c1 1320729303 KVZZTOUPDZFGLJ-CQSZACIVSA-N 306.365 4.817 30 20 DJED CCN(C(=O)CC1(C#N)CCCCC1)c1cccc(Cl)c1 1349883956 KWQCESVLOORZIK-UHFFFAOYSA-N 304.821 4.557 30 20 DJED N#Cc1nc(NC[C@H]2CCC[C@H]2c2ccccc2)sc1Cl 1458408286 ULQPKLWUJGSIGS-OLZOCXBDSA-N 317.845 4.664 30 20 DJED CC[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)c2ccccc2O1 1473194829 LTEBEZBDHLRYDJ-QGZVFWFLSA-N 320.436 4.665 30 20 DJED CC1(C)CCCC[C@H]1CC(=O)Nc1ccc(C#N)c(Cl)c1 1521816097 SFZAMAMISYVXMS-ZDUSSCGKSA-N 304.821 4.757 30 20 DJED Cc1ccccc1[C@H](Nc1cc(C#N)ncn1)[C@H]1CCC[C@@H](C)C1 1559102004 ZYEHMEBNIAJZGK-PTSWNOGYSA-N 320.440 4.636 30 20 DJED CC1(C)CCC[C@H](CNc2ccc(C#N)c(Br)c2)C1 1559213202 JDWQYXXWCXAMRB-LBPRGKRZSA-N 321.262 4.949 30 20 DJED CN(C(=O)Nc1cccc(C#N)c1)C1CC(C)(C)CC(C)(C)C1 1562143919 VUOHOXMNKQMZSM-UHFFFAOYSA-N 313.445 4.627 30 20 DJED CCN(C(=O)CC1(C#N)CCCCC1)c1ccc(Cl)cc1F 1586062622 RNNVMLLLXZCLGF-UHFFFAOYSA-N 322.811 4.696 30 20 DJED Cc1ccc(C)c([C@@H](C)NCc2ccccc2C(C)(C)C#N)c1 1616943759 YZHLEQYHPUPXFF-QGZVFWFLSA-N 306.453 4.955 30 20 DJED Cc1ccc([C@H](C)CN2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 1621132580 ZHZYZQOORWPODU-QIJUGHKUSA-N 318.464 4.870 30 20 DJED C[C@H](c1ccc(Cl)c(Cl)c1)N(C)c1ncc(C#N)cc1F 1650694211 ZXAMZJYRXGHDEZ-SECBINFHSA-N 324.186 4.597 30 20 DJED C[C@@H](Sc1ccnc(C#N)n1)c1ccc(Cl)c(Cl)c1 1651562262 LMULICUYESUIJS-MRVPVSSYSA-N 310.209 4.508 30 20 DJED Cc1ccc(-n2ncc(N[C@@H]3CCC[C@H](C#N)C3)c2C(C)C)cc1 1652190669 RDEIWORMBNCKJF-DLBZAZTESA-N 322.456 4.798 30 20 DJED N#Cc1ccc(SCCc2c(F)cccc2Cl)c(F)c1 1656305000 WFDWEOLHGLAYFX-UHFFFAOYSA-N 309.768 4.825 30 20 DJED Cc1cc(C)c(/C=C/CN[C@H]2CCc3cc(C#N)ccc32)c(C)c1 1657294543 FDAVOWKBAOESFO-ZDUIWUOISA-N 316.448 4.774 30 20 DJED CC[C@@H](C)c1ccc(C(=O)/C=C/c2csc(C(=O)O)c2)cc1 1776697239 BKNGGHUSLSXISG-OXFRDRNISA-N 314.406 4.856 30 20 DJED C=CCN(C(=O)c1cc(SC)ccc1Cl)c1ccccc1 30954303 NQVGZQDSRUKNLU-UHFFFAOYSA-N 317.841 4.895 30 20 DJED N#C[C@H](C(=O)c1cc2ccccc2s1)c1nc2ccccc2o1 41544093 PPMYYBCDMSDCGS-GFCCVEGCSA-N 318.357 4.533 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1F 43527022 NEZWVZXLHHYSFA-UHFFFAOYSA-N 318.779 4.699 30 20 DJED Cc1ccc(CN(Cc2cccc(C#N)c2)Cc2ccco2)s1 53086092 HZXVFFCZRFVKPH-UHFFFAOYSA-N 322.433 4.724 30 20 DJED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 65680226 LOGWQTGNVNXRET-OAHLLOKOSA-N 318.376 4.645 30 20 DJED CC[C@@H](C#N)Sc1nnc(-c2ccccc2)c2ccccc12 127178283 KHBGCOOXFODVET-AWEZNQCLSA-N 305.406 4.691 30 20 DJED N#Cc1ccc(CNc2ccccc2SCC(F)(F)F)cc1 128398722 JWCWINLLMZASHF-UHFFFAOYSA-N 322.355 4.825 30 20 DJED CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2cc(C)ccc2C)c1 160921516 PUCCLGCWMIBMFM-PKOBYXMFSA-N 322.452 4.835 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)c2ccc(C(C)C)s2)n1 184569503 NQXAQNXKPOEFIL-LLVKDONJSA-N 318.467 4.941 30 20 DJED Cc1cc2c(cc1C)[C@H](NCc1cccc(C#N)c1)CCS2 186987738 GSQSCBKDYWNRQN-GOSISDBHSA-N 308.450 4.502 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1ccsc1Cl 189387098 GHWHDTVDPFHIBS-UHFFFAOYSA-N 312.847 4.683 30 20 DJED C=C(Cl)COc1ccc(C(=O)/C=C\c2ccsc2)cc1 207260630 VDENJCCDZMOBTH-UQCOIBPSSA-N 304.798 4.776 30 20 DJED COc1cc(C(=O)/C=C\c2ccc(C)s2)ccc1OC(F)F 210064372 OCJSLNJAVQDKIQ-SREVYHEPSA-N 324.348 4.563 30 20 DJED CC(C)(C#N)CCCC[S@](=O)Cc1cccc(C(F)F)c1 281253419 WCPPWINUGZCDHH-NRFANRHFSA-N 313.413 4.593 30 20 DJED N#Cc1cccc(C#N)c1N1Cc2ccccc2-c2ccccc2C1 302870970 BQPJRPHOTDLRAH-UHFFFAOYSA-N 321.383 4.617 30 20 DJED CC(C)(C)CCCNC(=O)c1ccccc1-c1ccccc1C#N 303827832 OCZHYURBUUZQOV-UHFFFAOYSA-N 320.436 4.781 30 20 DJED CCCCc1oc2ccccc2c1CNCc1cccc(C#N)c1 324274595 ZEWQROGJTYDVOD-UHFFFAOYSA-N 318.420 4.937 30 20 DJED C[C@H](NCCCCC#N)c1ccc(-c2cccc(C#N)c2)cc1 376268532 DWBLHVSNPGGZHS-INIZCTEOSA-N 303.409 4.570 30 20 DJED C[C@@H](NCC1(CC#N)CC1)c1ccc(OCc2ccccc2)cc1 430757251 VJBKDRZYBFHHGJ-QGZVFWFLSA-N 320.436 4.610 30 20 DJED Cc1oc(-c2ccccc2)nc1CSc1cccc(C#N)c1 435033241 IPINGGGNOLVJTJ-UHFFFAOYSA-N 306.390 4.814 30 20 DJED N#CCc1ccc(NC(=O)c2ccc(C3CCC3)cc2)c(Cl)c1 452657554 VVGNVALJQMWBKW-UHFFFAOYSA-N 324.811 4.926 30 20 DJED CC#CCCCC(=O)N(Cc1ccc2ccccc2c1)C1CC1 464567217 PPFWHTSTHTYZSD-UHFFFAOYSA-N 305.421 4.524 30 20 DJED C[C@H](SCc1ccc(F)cc1C#N)c1cc(F)ccc1F 488550366 DIEJLUUEUCZNPZ-JTQLQIEISA-N 307.340 4.970 30 20 DJED N#Cc1cc(NC(=O)Cc2cccc3ccccc23)ccc1Cl 494985000 WTJSKBOQMFHHSZ-UHFFFAOYSA-N 320.779 4.546 30 20 DJED N#Cc1ccc(SCCCSc2ccccc2Cl)nc1 504508382 UIHRUMSPXAYHFE-UHFFFAOYSA-N 320.870 4.881 30 20 DJED CC(C)Cc1ccc([C@@H](NCc2ccc(C#N)cc2)C2CC2)cc1 508077572 IJFPLBVUAURGJN-JOCHJYFZSA-N 318.464 4.998 30 20 DJED Cc1ccc2c(c1)[C@@H](N[C@H]1CCc3ccc(C#N)cc31)CCC2 514893430 HNXDRDKDGLVHES-SFTDATJTSA-N 302.421 4.521 30 20 DJED COc1cc(CSc2cccc(F)c2C#N)ccc1SC 517832723 BOXQXPFCTFHJHE-UHFFFAOYSA-N 319.426 4.720 30 20 DJED N#Cc1cccc(CNCC2(Sc3ccccc3)CCCC2)c1 524688087 XQEYENDHLUTFJA-UHFFFAOYSA-N 322.477 4.753 30 20 DJED C[C@H](N[C@@H](C)c1ccc(C#N)cc1F)c1cccc(C2CC2)c1 556173072 JYOQBFBAINYCSV-KBPBESRZSA-N 308.400 4.987 30 20 DJED C=CCC[C@@H](NC[C@H]1CCCN(c2ccccc2)C1)c1ccco1 556876380 CTIKMGPTDRJTHB-UYAOXDASSA-N 324.468 4.793 30 20 DJED CC[C@@H]1CCCC[C@H]1c1noc(C[C@@H](CC#N)c2ccccc2)n1 560049931 WUSKPYRITNWXIP-KBAYOESNSA-N 323.440 4.993 30 20 DJED CCC[C@H](CC1CCCC1)C(=O)N1CCC(CCC#N)CC1 563188529 NHIICELSIGWLKM-GOSISDBHSA-N 304.478 4.525 30 20 DJED C=CCN(Cc1cccc(C#N)c1)Cc1ccc(SC)s1 564529694 RKRUUXPSWYFIML-UHFFFAOYSA-N 314.479 4.530 30 20 DJED C[C@@H](CCSc1ccccc1)N[C@H](C)c1cccc(C#N)c1 611387092 DWAXVKHNYKTKSI-JKSUJKDBSA-N 310.466 4.780 30 20 DJED CC(C)(C#N)CN[C@@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 613540330 JXBDBWWRUDMLIK-SWLSCSKDSA-N 311.256 4.769 30 20 DJED Cc1ccc2c(c1)[C@@H](NCc1ccc(C#N)c(Cl)c1)CCC2 619755275 VMILJOSBBYDJGQ-IBGZPJMESA-N 310.828 4.687 30 20 DJED C=CCCC(C)(C)NC(=O)C[C@H](c1ccccc1)C(F)(F)F 620861760 YKWRYXWULGRHJL-CQSZACIVSA-N 313.363 4.584 30 20 DJED CCC1(CC)CCCN(c2ccc(C#N)c(Br)c2)C1 690349973 MOAGSAAKZSSDIE-UHFFFAOYSA-N 321.262 4.727 30 20 DJED CCCCCC[C@H](C)CC(=O)Nc1cc(C#N)ccc1OC 727666214 UQFBBGABQWWZMH-AWEZNQCLSA-N 302.418 4.502 30 20 DJED N#C[C@H](NC(=O)C=C1CCCCC1)c1ccc(Cl)c(Cl)c1 731645038 FDBYDFSBDIFMCY-HNNXBMFYSA-N 323.223 4.565 30 20 DJED CCC/C=C/C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 735208553 ZLMIKJHXTATMIM-NFAHFFEMSA-N 310.422 4.651 30 20 DJED Cc1ccc(/C=C\C(=O)c2c(Cl)nc3ccccn23)c(C)c1 737445664 DNSYIQOOEGBIJI-HJWRWDBZSA-N 310.784 4.501 30 20 DJED C/C(=C/C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C(C)(C)C 744371243 OTCBKIBFPBXNKW-YFHOEESVSA-N 310.319 4.508 30 20 DJED Cc1ccc2cc([C@H](C)NCc3cc(C#N)ccc3F)oc2c1 756043130 SLTLDBGZEZBEPZ-ZDUSSCGKSA-N 308.356 4.603 30 20 DJED COc1ccc(/C=C2\CCCC(C)(C)C2=O)c(Cl)c1OC 757534621 NRWJPMZWWDHYFH-ZRDIBKRKSA-N 308.805 4.520 30 20 DJED CC(=NNc1c(Cl)cccc1Cl)c1ccc(N)cc1C 758116061 BTUJFUFPFBXCED-UHFFFAOYSA-N 308.212 4.720 30 20 DJED CC(=NNc1cc(Cl)ccc1Cl)c1cnc(C)s1 761267338 RAQJIHPGKLFWNH-UHFFFAOYSA-N 300.214 4.594 30 20 DJED CCCCCCC[C@H](C)N[C@@H](C)c1ccc([S@](C)=O)cc1 768513246 HBCGVGPSKMRYRP-QYWGDWMGSA-N 309.519 4.824 30 20 DJED CC(=NNc1c(C)cccc1F)c1c(Cl)cccc1[N+](=O)[O-] 769842055 YDCBPMLJDWZNAN-UHFFFAOYSA-N 321.739 4.532 30 20 DJED O=C1/C(=C/c2cscc2Cl)CCc2ccc([N+](=O)[O-])cc21 773148671 GDIPKQHKRQUVEQ-BJMVGYQFSA-N 319.769 4.522 30 20 DJED C#CCCCCCC(=O)Nc1sc(-c2ccccc2)nc1C 784174532 OMFFLWMSZYZPFK-UHFFFAOYSA-N 312.438 4.641 30 20 DJED CC(C)O[C@@H](C=NNc1ccc2ccccc2n1)c1ccccc1 792881985 AWKFFEJGAKXKHH-IBGZPJMESA-N 319.408 4.799 30 20 DJED Fc1cc(NN=C2CCC[C@@H]2c2ccccn2)ccc1Cl 794914605 JMFNOIDTOPTFKH-GFCCVEGCSA-N 303.768 4.610 30 20 DJED N#Cc1ccc(SCc2ccc(Cl)nc2Cl)c(F)c1 799887616 DVFKVPCNXHUIDS-UHFFFAOYSA-N 313.184 4.691 30 20 DJED C[C@@H](C#N)OCCS[C@@H](C)c1ccc(Cl)cc1Cl 802750035 VGWHIPNPPQULJX-UWVGGRQHSA-N 304.242 4.716 30 20 DJED Cc1ccc(N(C)C(=O)c2sc3ccc(C#N)cc3c2C)cc1 814109906 SLRUAUNBKNXJAO-UHFFFAOYSA-N 320.417 4.666 30 20 DJED CC(=NNc1oc(C(C)C)nc1C#N)c1c(C)oc2ccccc12 834950489 SLWGRRQVIJKXEV-UHFFFAOYSA-N 322.368 4.560 30 20 DJED C=CCC1(C(=O)Nc2onc(C3CCCCC3)c2C)CCC1 839358161 RWOLTSBUHNAYJP-UHFFFAOYSA-N 302.418 4.716 30 20 DJED CCCCCC[C@H](C)C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842941916 ULDROLJIGIIVJU-GXTWGEPZSA-N 304.459 4.803 30 20 DJED C=C[C@@H](Cc1nc(Cc2ccc(Cl)cc2)no1)c1ccccc1 904548190 VLPVNXZYPFCERZ-HNNXBMFYSA-N 324.811 4.826 30 20 DJED CC(=NNc1ccc(C(F)(F)F)cn1)c1cc(C)sc1C 915917640 JHYRQQOUTPMJKN-UHFFFAOYSA-N 313.348 4.615 30 20 DJED CC(=NNc1nc(-c2ccccc2)cs1)c1cccc(C#N)c1 915956277 QLAJMOPKGLKHOB-UHFFFAOYSA-N 318.405 4.518 30 20 DJED Cc1noc(C)c1C=NNc1c(Cl)cc(Cl)cc1Cl 916248892 MGVKGKCULHZUJQ-UHFFFAOYSA-N 318.591 4.698 30 20 DJED C=CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C)C(C)C 918062445 FJESDMRGUXZTET-MRXNPFEDSA-N 308.853 4.643 30 20 DJED C=C[C@@H](CC(=O)Nc1ccn(C2CCCCC2)n1)c1ccccc1 1116787380 JGOCXXGUJNZDCV-INIZCTEOSA-N 323.440 4.687 30 20 DJED CC(C)Cc1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)s1 1127091534 XUVWQCPLMCMDKO-ZDUSSCGKSA-N 313.422 4.736 30 20 DJED COc1ccc(C#N)cc1CN1CCCC2(CCCCCC2)C1 1167549626 OOXNYQLWXRDXSN-UHFFFAOYSA-N 312.457 4.503 30 20 DJED Cc1cccc(C)c1[C@H]1CCCN1c1ccc(Cl)c(C#N)n1 1186998774 BXRKJVYULQQGQV-MRXNPFEDSA-N 311.816 4.565 30 20 DJED Cc1cc(C#N)ccc1CN1CC[C@](C)(CCc2ccccc2)C1 1191444535 NPVUFNPRHHWSTR-QFIPXVFZSA-N 318.464 4.712 30 20 DJED CCC[C@@H](C)C(=O)OCc1ccccc1Oc1ccccc1C#N 1272483721 IOUCLZDYBQGZKV-OAHLLOKOSA-N 323.392 4.830 30 20 DJED C[C@@]1(C#N)CCCN(Cc2ccc(Oc3cccc(F)c3)cc2)C1 1308635385 PNPNKHLTENHUGH-FQEVSTJZSA-N 324.399 4.744 30 20 DJED CO[C@@H]1CCC[C@@H](Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1462129558 TXDSXSRXVGFWEN-VQIMIIECSA-N 322.408 4.720 30 20 DJED CCOC(=O)Nc1ccc(N[C@@H]2CCC[C@@H](CC)C2)cc1C#N 1474435027 QKEWPIYHMDDFGE-UKRRQHHQSA-N 315.417 4.507 30 20 DJED CCC[C@H](C(=O)Nc1sc2c(c1C#N)CCCC2)C(C)C 1521832658 BFOIKRXULYDSNN-LBPRGKRZSA-N 304.459 4.509 30 20 DJED CC[C@H](C)c1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)cc1 1545082001 IPQIRESRVJDSHZ-OXJNMPFZSA-N 320.436 4.975 30 20 DJED Cc1cc(N2C[C@H](c3ccccc3)c3ccccc32)c(C#N)cn1 1559179261 QSEMLOGLRPVESZ-LJQANCHMSA-N 311.388 4.545 30 20 DJED COc1cccc([C@@H](C)Sc2snc(Cl)c2C#N)c1 1612112921 XHVMEPZZUFKMPG-MRVPVSSYSA-N 310.831 4.530 30 20 DJED Cc1cnccc1CSc1ccc(C#N)c(C(F)(F)F)c1 1613667460 JAYQFSPNMYAFPV-UHFFFAOYSA-N 308.328 4.573 30 20 DJED CC1(C)CC(CNc2c(C#N)nnc3ccccc23)CC(C)(C)C1 1640136192 VHHQVRCWHWGWBF-UHFFFAOYSA-N 322.456 4.766 30 20 DJED CC1(C)CCN(c2nc(C(C)(C)C)ccc2C#N)CC(C)(C)C1 1642918607 PAZNMQGBMOTJQP-UHFFFAOYSA-N 313.489 4.903 30 20 DJED COc1cc(C#N)ccc1CN1C[C@H](C(C)(C)C)c2ccccc21 1654317839 LCQUDSDVGMPRQN-SFHVURJKSA-N 320.436 4.717 30 20 DJED Cc1ccc(CC(=NNc2cccc(C(=O)O)c2C)C(C)C)cc1 1776087075 GZNLEVQWYCEPDH-UHFFFAOYSA-N 324.424 4.668 30 20 DJED O=C(O)c1ccc(/C=C/C(=O)c2ccccc2Cl)c(Cl)c1 1776115181 PLOKJJVXZZLXFD-BQYQJAHWSA-N 321.159 4.588 30 20 DJED CC[C@H](C)c1ccc(C(=O)/C=C\c2ccc(/C=C/C(=O)O)o2)cc1 1776697310 GLXKOYQQLZQRIM-IKJWRLLYSA-N 324.376 4.787 30 20 DJED C=CCOCCCC(=O)Nc1ccc(SC(C)(C)C)cc1C 79907432 MNVYIOMWCUWXFT-UHFFFAOYSA-N 321.486 4.807 30 20 DJED N#Cc1cccc(CSCc2csc(-c3ccccn3)n2)c1 105633938 PRDRTDSJAURKAL-UHFFFAOYSA-N 323.446 4.510 30 20 DJED Cc1ccoc1C(=O)/C=C/c1cnc(-c2cccs2)s1 119024356 BPOSDKIKAAFOTC-SNAWJCMRSA-N 301.392 4.669 30 20 DJED C[C@@H]1C[C@@H]1c1ccc(CN(CC(C)(C)CCC#N)C2CC2)o1 129864673 BYEVSUUGIJJOHL-PBHICJAKSA-N 300.446 4.697 30 20 DJED C=CCC(CC=C)C(=O)Oc1ccc(Oc2nccs2)cc1 151695782 RNVYXHMDTLLSHA-UHFFFAOYSA-N 315.394 4.609 30 20 DJED C=CCCCC(=O)N(Cc1ccco1)Cc1ccc(C)s1 177771555 JMBORJOICRHCKN-UHFFFAOYSA-N 303.427 4.535 30 20 DJED CC[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccccc1OC 181575600 AFOHHTTZPFFHJA-MOPGFXCFSA-N 308.425 4.781 30 20 DJED C[C@H](CNCC(C)(C)CCC#N)c1ccc(C(F)(F)F)cc1 191156639 GIVBBMJEUPHICH-CYBMUJFWSA-N 312.379 4.728 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc3ccccc3c2)c(OC)c1 210442589 UIXJSDNRCFIWPM-BENRWUELSA-N 318.372 4.753 30 20 DJED CC[C@@H]1CCCC[C@H]1Nc1ccc(C#N)c(Br)c1 228180734 UVFSAROECZDMMT-IAQYHMDHSA-N 307.235 4.701 30 20 DJED CCOc1ccc(OCC)c(N[C@@H](C)c2ccc(C#N)cc2)c1 319767348 DLTHRWFBMWSJRN-AWEZNQCLSA-N 310.397 4.529 30 20 DJED C[C@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1cccc(C#N)c1 320008844 DWUJDTZCOCKPHT-HOTGVXAUSA-N 304.437 4.849 30 20 DJED O/C(=N/[C@@H]1CCCCC12CCCC2)c1cc2ccccc2nc1O 329575569 BCEPZXUSWBBOAH-QGZVFWFLSA-N 324.424 4.748 30 20 DJED C=CCC[C@H](NC(=O)N1CCC[C@@H]2CCC[C@H]21)c1ccccc1 435096571 XHPFVIRMOXDRCA-GBESFXJTSA-N 312.457 4.668 30 20 DJED Cc1nc(S[C@@H](C)c2cccc(C#N)c2)n(CC(C)C)c1C 442913960 KGGJLWOFYBTYJV-HNNXBMFYSA-N 313.470 4.881 30 20 DJED C=C(C)[C@@H](N[C@@H]1CCc2cc(F)ccc21)c1ccc(F)c(F)c1 480701902 UTXSPAMEGGHCPV-RTBURBONSA-N 317.354 4.998 30 20 DJED C=CCSc1ccccc1C(=O)Nc1ccc(OC)cc1C 486246827 XMWCTVIQMATNIV-UHFFFAOYSA-N 313.422 4.534 30 20 DJED N#CC1(NC(=O)CC2(CCc3ccccc3)CCCC2)CCCC1 498397333 QGWLOJXENHRQIR-UHFFFAOYSA-N 324.468 4.522 30 20 DJED CCc1ccccc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 532717649 CZDLJSHQGBKBMN-LBPRGKRZSA-N 324.449 4.559 30 20 DJED C=C[C@H](CC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)c1ccccc1 534639598 DDGHKGOIGDOQOW-BLIXFSHQSA-N 311.469 4.774 30 20 DJED C=C[C@@H](CC(=O)N1CC[C@H](c2cccc(C)c2)C1)c1ccccc1 543338743 NBZKXXZMXHAMPX-RXVVDRJESA-N 319.448 4.671 30 20 DJED Cc1ncsc1CSc1ccc(C#N)c(C(F)(F)F)c1 558460457 GVTZFIAJXSLQAV-UHFFFAOYSA-N 314.357 4.634 30 20 DJED CC(C)c1cccc(N(C)C(=O)Nc2ccc(CC#N)cc2)c1 569234706 HVIUFTDDKGGXKW-UHFFFAOYSA-N 307.397 4.544 30 20 DJED CC[C@H](C)c1ccc([C@@H](NCc2ccc(C#N)cn2)C(C)C)cc1 569822849 VPUINAPZZXSMOJ-KKSFZXQISA-N 321.468 4.954 30 20 DJED N#Cc1ccc(CN[C@H]2CCC[C@H]2c2ccc(Cl)cc2)s1 574884811 GXJSWKAMGZVECS-IRXDYDNUSA-N 316.857 4.699 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](c1ccccc1)C1CC1 577237141 MOAUWOPSEOWDFD-RTWAWAEBSA-N 302.421 4.677 30 20 DJED CC(C)[C@](C)(Cc1ccc(Cl)cc1)N[C@H]1CC[C@H](C#N)C1 583276713 OBCIKSFHFOFYAJ-SZMVWBNQSA-N 304.865 4.579 30 20 DJED C=CCN(CC=C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 642387089 JGFKLTDVXABGSY-UHFFFAOYSA-N 318.726 4.565 30 20 DJED C=CCC[C@@H](NC(=O)N1C2CCCC1CCC2)c1ccccc1 676423329 OODSCAXVXBQZCN-CTWPCTMYSA-N 312.457 4.811 30 20 DJED C#Cc1cccc(N(Cc2ccco2)C(=O)C[C@H](C)CCC)c1 728182239 DNGRAPSWIHRWGN-MRXNPFEDSA-N 309.409 4.620 30 20 DJED Cc1ccc(/C=C/C(=O)c2ccccc2OC(F)F)cc1F 731488509 IKLFFQPSAIIMAI-CMDGGOBGSA-N 306.283 4.632 30 20 DJED O=C1/C(=C/c2ccccc2C(F)(F)F)COc2ccc(F)cc21 731565425 OSYKABADWIVTOC-YRNVUSSQSA-N 322.257 4.503 30 20 DJED Cn1cc(C(=O)/C=C/c2cnc(C(C)(C)C)s2)c2ccccc21 736433636 HXQWADASEWGDTD-MDZDMXLPSA-N 324.449 4.828 30 20 DJED CC(C)c1ccc(/C=C\C(=O)c2ccsc2)cc1[N+](=O)[O-] 749104831 ORMJUXSLKKBXMA-XQRVVYSFSA-N 301.367 4.676 30 20 DJED CC[C@@H](N[C@H](C)c1nc2ccccc2s1)c1ccc(C#N)cc1 774193101 SMISZFLGBBIMPP-CZUORRHYSA-N 321.449 4.970 30 20 DJED C[C@@H](C#N)Oc1ccccc1NCCCc1ccc(Cl)cc1 779739757 CLOWJGFZCGIHOV-AWEZNQCLSA-N 314.816 4.676 30 20 DJED C#CCCCCCC(=O)N1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 779957690 DTOQSTSXTKCCRU-WIYYLYMNSA-N 311.469 4.878 30 20 DJED COc1ccc(/C=C\C(=O)c2cc3ccccc3s2)cc1OC 780188026 FVEVURRIWFXZDT-CLFYSBASSA-N 324.401 4.815 30 20 DJED CC[C@H](C)[C@@H](C(=O)OCCCC(C)(C)C#N)c1ccccc1 781862758 GOGDQCWVIXZLQI-DOTOQJQBSA-N 301.430 4.689 30 20 DJED CC(C)[C@@H](C(=O)OCCCC(C)(C)C#N)c1cccc(Cl)c1 784016923 RLWABPRUHIMHII-MRXNPFEDSA-N 321.848 4.953 30 20 DJED C=CCCCCC[C@H](C)N[C@H](C)c1ccc([S@](C)=O)cc1 793545364 BMFGBVCIBUZUHB-MRUHUIDDSA-N 307.503 4.600 30 20 DJED C#CCN(C)C(=O)Nc1ccc(SC2CCCCC2)cc1C 801622106 LTZBZVSVADQAGJ-UHFFFAOYSA-N 316.470 4.517 30 20 DJED CCC[C@H](C)c1noc(-c2cn(CCCC#N)c3ccccc23)n1 809359959 RSWJVKUFQMZQME-AWEZNQCLSA-N 322.412 4.899 30 20 DJED CCOc1ccc(NN=CC2CCC(C(F)(F)F)CC2)cc1 814985324 BPWOMTGJJZSBQM-UHFFFAOYSA-N 314.351 4.852 30 20 DJED C=CC(C)(C)CC(=O)Nc1ccccc1-c1csc(C)n1 890338300 OFSRHLOYKFEEJD-UHFFFAOYSA-N 300.427 4.659 30 20 DJED Cc1cc(/C=C2/Cc3ccccc3C2=O)cc(C)c1OC(F)F 916137165 QWNRUAUZIPIUMQ-DHDCSXOGSA-N 314.331 4.727 30 20 DJED N#Cc1cccc(Br)c1N[C@@H]1CC[C@H]2CCC[C@@H]2C1 1162510720 RQKAUAWGNVNGPN-YRGRVCCFSA-N 319.246 4.701 30 20 DJED C=CCN(Cc1ccccc1)C(=O)C1(Sc2ccccc2)CC1 1320120894 DPRLHBXRCNTMBB-UHFFFAOYSA-N 323.461 4.526 30 20 DJED CC(C)(C#N)CNCc1ccc(-c2cc(Cl)ccc2Cl)o1 1320138990 AMRJNKDXAVVSNP-UHFFFAOYSA-N 323.223 4.893 30 20 DJED C#CC[C@H](N[C@@H]1C[C@H](C)c2c(C)ccc(O)c21)c1ccccc1 1321037299 KCESDEVOPJCNRZ-RYQLBKOJSA-N 305.421 4.603 30 20 DJED Cc1c(-c2nnc(-c3cccc(C#N)c3)o2)oc2c(C)cccc12 1322411166 BVJJEUYXHIACRE-UHFFFAOYSA-N 315.332 4.638 30 20 DJED CCCCC1CCC(CNC(=O)CC2(C#N)CCCCC2)CC1 1357477957 OCPUIPIKUVINFK-UHFFFAOYSA-N 318.505 4.963 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)Nc1cccc(C#N)c1 1465139655 FBYJBXNCUUGWDB-DOTOQJQBSA-N 313.445 4.532 30 20 DJED N#Cc1cccc(COc2ccc(SC(F)(F)F)cc2)c1 1473028702 ODJHNEDKPCMJAM-UHFFFAOYSA-N 309.312 4.749 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@H]1Cc1ccccc1Cl 1473125605 VBPWKKYTQCAOHZ-IBGZPJMESA-N 324.855 4.727 30 20 DJED CCN(C(=O)C1CCCCCCC1)c1ccc(C#N)c(Cl)c1 1519593885 LWFJLFMPVFPZSQ-UHFFFAOYSA-N 318.848 4.925 30 20 DJED N#Cc1ccc(F)c(NC(=O)c2ccc(-c3ccccc3)s2)c1 1528455787 CXPGTMPIDMGEAR-UHFFFAOYSA-N 322.364 4.678 30 20 DJED CC[C@@H](C(=O)N(c1ccccc1C#N)C1CCC1)c1ccccc1 1532033019 GLBXXZGJBYDFIJ-LJQANCHMSA-N 318.420 4.638 30 20 DJED Cc1cc(NC(=O)c2ccc(Cl)c(C#N)c2)c2ccccc2c1 1533474699 YDOSNMAZGOLTSD-UHFFFAOYSA-N 320.779 4.926 30 20 DJED CCOC(=O)Nc1ccc(NCC(CC)(CC)CC)cc1C#N 1560749553 UNGDDNKWSAEPID-UHFFFAOYSA-N 317.433 4.755 30 20 DJED Cc1nc(N(C)[C@H](C)c2ccc(Cl)c(Cl)c2)ccc1C#N 1642154387 XWBREDWEKHWXRG-LLVKDONJSA-N 320.223 4.766 30 20 DJED N#Cc1ccc(Sc2nc3ccc(F)cc3s2)c(F)c1 1642286499 XZDQYQUIFNFDJF-UHFFFAOYSA-N 304.346 4.597 30 20 DJED CCc1cc2c(N[C@@H](C)c3cccc(C#N)c3)nc(C)nc2s1 1652217480 CNTCYSLGHQNWKR-NSHDSACASA-N 322.437 4.607 30 20 DJED CC(C)(CC#N)CSc1ncnc2sc3c(c12)CCCC3 1652461329 MBUBHJSSMWHQNJ-UHFFFAOYSA-N 317.483 4.602 30 20 DJED C=CC[C@@]1(C(=O)O)CCCN([C@@H](C)c2ccc3ccccc3c2)C1 1776154157 XCKIUNRYEQDKQH-HRAATJIYSA-N 323.436 4.644 30 20 DJED CCc1nnc(Oc2cc(Cl)cc(Cl)c2)c(C#N)c1CC 125034718 BTJNAYZGGNMURJ-UHFFFAOYSA-N 322.195 4.572 30 20 DJED Cc1nc(-c2ccccc2)sc1C(=O)/C=C/c1ccc(F)nc1 186409065 SJKNSXXSVSAOJK-VQHVLOKHSA-N 324.380 4.549 30 20 DJED C[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccc(Cl)cc1 192933461 OAYUZGXPBXBELM-ZIAGYGMSSA-N 314.816 4.654 30 20 DJED C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1nc(-c2ccccc2)cs1 248842125 NVALAVZKTPXKLY-SQWLQELKSA-N 311.454 4.543 30 20 DJED N#CC1(CCCS[C@H]2CCCc3ccccc32)CCOCC1 280859393 AQTASAYWMOQBKU-SFHVURJKSA-N 315.482 4.898 30 20 DJED C[C@H](N[C@@H](CC(F)(F)F)c1ccccc1)c1ccc(C#N)cc1 319655537 FZCZOLJPHCMVSL-GUYCJALGSA-N 318.342 4.903 30 20 DJED CC1(C)CCC(C/N=C(/O)CCc2nc3ccccc3o2)CC1 328890919 SCLXGOLBSKOUNC-UHFFFAOYSA-N 314.429 4.933 30 20 DJED Cc1ccccc1-c1noc(C)c1/C(O)=N/[C@@H]1CC12CCCCC2 330016043 OZJJBXOSQRNWHE-MRXNPFEDSA-N 324.424 4.986 30 20 DJED Cc1noc(C)c1N=C(O)N1CCC[C@H]1CCC1CCCCC1 330240168 VVYFIMLGWRWYLS-INIZCTEOSA-N 319.449 4.662 30 20 DJED CC[C@@H]1CCCN1C(O)=Nc1ccccc1S[C@H](C)CC#N 330667921 JRUNASDLZHCAAT-ZIAGYGMSSA-N 317.458 4.501 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCCc2ccccc21 341756618 GAAPRJNFTWVSJG-LEWJYISDSA-N 302.421 4.603 30 20 DJED CC[C@@H](C)[C@H](C(=O)Nc1cccc(C#N)c1C)c1ccccc1 432835941 KHELWPHBCFOLSS-KUHUBIRLSA-N 306.409 4.635 30 20 DJED N#Cc1ccc(CNC2(c3ccc(Cl)cc3)CC2)c(Cl)c1 439447940 GEPBYXKYBSGTCX-UHFFFAOYSA-N 317.219 4.644 30 20 DJED C[C@@H]1CCC[C@H](OCc2cccc(N[C@H]3CC[C@@H](C#N)C3)c2)C1 442866367 IHADDKVVOGTTNE-YKCBXCCJSA-N 312.457 4.886 30 20 DJED FCCCN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444738767 SNFGVXBTAKUVLR-NSHDSACASA-N 317.248 4.648 30 20 DJED CC1(C#N)CCC(N[C@H]2CC[C@@H](c3ccccc3F)C2)CC1 449298409 HPNXBDTXORDUBN-HITAIPBASA-N 300.421 4.524 30 20 DJED N#Cc1cccc(Cl)c1N[C@H]1CCSc2c(F)cccc21 462929837 SRTXOQFIHSMAPJ-AWEZNQCLSA-N 318.804 5.000 30 20 DJED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCC1CCCC1 464953471 ORFWXGVDWHXDLI-VQTJNVASSA-N 324.468 4.645 30 20 DJED C=CCC(CC=C)C(=O)N[C@H](c1ccccc1)c1cccc(F)c1 467854811 UDGYQXMZNTZQME-HXUWFJFHSA-N 323.411 4.800 30 20 DJED C=CCCCC(=O)N(Cc1cccc(Br)c1)C(C)C 481336901 NCNDFIZULNSZEF-UHFFFAOYSA-N 324.262 4.542 30 20 DJED Cc1c(F)ccc(Cl)c1C(=O)Nc1ccc(C#N)c(Cl)c1 483067622 AFNKPEPVAYTBMW-UHFFFAOYSA-N 323.154 4.565 30 20 DJED C=CC[C@@H](C(=O)N(C)Cc1ccc(Cl)s1)c1ccccc1 487763644 VQOFEKGEOIHROZ-OAHLLOKOSA-N 319.857 4.720 30 20 DJED Cc1ccc2ncc(C#N)c(N3CCc4sccc4[C@@H]3C)c2c1 487919782 WMJZUGQHQUZCRC-ZDUSSCGKSA-N 319.433 4.600 30 20 DJED CC(C)(C)CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 520914328 IJNWMFXSJAXAND-UHFFFAOYSA-N 308.381 4.725 30 20 DJED C=CCCCCCN(C)C(=O)N[C@@H]1CCSc2ccccc21 524148118 FOFUIRNRQUENTE-MRXNPFEDSA-N 318.486 4.611 30 20 DJED Cc1cccc([C@@H](NCc2cc(C#N)ccc2F)C(C)(C)C)c1 540437723 IQRQULMMVBPIRC-LJQANCHMSA-N 310.416 4.883 30 20 DJED C=CCCC[C@H](C)NC(=O)N(C)[C@H](C)c1cc2ccccc2o1 540490402 QJCISRUZJRLWNS-LSDHHAIUSA-N 314.429 4.880 30 20 DJED C=CCCC[C@H](C)N[C@H](C)c1ccc(OC(F)F)c(OC)c1 540608031 WKWOXWPTYQINAF-QWHCGFSZSA-N 313.388 4.692 30 20 DJED CC(C)(C#N)CCNC1(c2cccc(C(F)(F)F)c2)CCC1 540715632 RCAPGQUVCNLHJL-UHFFFAOYSA-N 310.363 4.614 30 20 DJED Cc1cccc(C2(NCc3ccc(CC#N)cc3)CCCC2)c1 542203602 CLAYUFSSFGWBPX-UHFFFAOYSA-N 304.437 4.620 30 20 DJED N#Cc1ccc(CNC2CCC(c3ccc(F)cc3)CC2)s1 543780519 LXWRWJBGBKWMER-UHFFFAOYSA-N 314.429 4.575 30 20 DJED N#CCCCN[C@@H](Cc1ccc(F)cc1)c1ccccc1Cl 544384905 GOBPWKWEUOBZFY-SFHVURJKSA-N 316.807 4.656 30 20 DJED COc1cccc(C2CCN([C@H](C)c3ccc(C#N)cc3)CC2)c1 547751021 GMMQMCMCLUUXMK-MRXNPFEDSA-N 320.436 4.507 30 20 DJED C=CCC(C)(C)c1noc(-c2scnc2C2CCCC2)n1 551109973 OSGREPCCGLDSQQ-UHFFFAOYSA-N 303.431 4.704 30 20 DJED C=CCC[C@H](NCc1cccc(CN(C)CC)c1)c1ccco1 552250063 UFGONFORAJXXPZ-IBGZPJMESA-N 312.457 4.528 30 20 DJED C=CC1CCN(C(=O)Nc2ccc(OCCC)c(Cl)c2)CC1 571749353 WHHLCSJXPFVYCI-UHFFFAOYSA-N 322.836 4.559 30 20 DJED CCCCCc1ccc(NC(=O)N2CCC[C@@H](CC#N)C2)cc1 596649113 BJCZZFQJIULMIO-KRWDZBQOSA-N 313.445 4.577 30 20 DJED N#Cc1cccc(NCc2cccc(Br)c2Cl)c1 600848018 CFVVITNSQQQNDM-UHFFFAOYSA-N 321.605 4.586 30 20 DJED N#CC1(c2ccc(-c3ccc(F)cc3Cl)cc2)CCOCC1 600850086 PWEUOCMCSBCNGP-UHFFFAOYSA-N 315.775 4.718 30 20 DJED C[C@H](NCc1nc(-c2ccccc2)cs1)c1cccc(C#N)c1 610344933 NGHXPXQCOSKWHO-AWEZNQCLSA-N 319.433 4.533 30 20 DJED Cn1cc(C(=O)/C=C/c2cc3ccccc3o2)c2ccccc21 726740268 ANLGKWJKCFXJJM-ZHACJKMWSA-N 301.345 4.821 30 20 DJED CCOc1ccc(/C=C\C(=O)c2ccc(SC)c(F)c2)cc1 741847908 SEHYKUBOBOYYKJ-POHAHGRESA-N 316.397 4.842 30 20 DJED COCc1cccc(/C=C/C(=O)c2c(C)[nH]c3ccccc23)c1 742432653 ZBLVADJOQICIPO-ZHACJKMWSA-N 305.377 4.519 30 20 DJED C#CCN(C(=S)Nc1cccc(C(C)C)c1)C1CCCCC1 743584908 SOLZNSJHRQLWTQ-UHFFFAOYSA-N 314.498 4.775 30 20 DJED Cc1cc(C)cc(NC(=S)N[C@@H](CCC#N)c2ccccc2)c1 747710491 UWUQTTHUUJPFFE-SFHVURJKSA-N 323.465 4.635 30 20 DJED C[C@H](C=NNc1oc(C(C)(C)C)nc1C#N)CCc1ccccc1 749157843 KQVDOAKEXMRHGL-AWEZNQCLSA-N 324.428 4.510 30 20 DJED C=C[C@H](CC(=O)NC(C)(C)c1ccc(F)cc1)c1ccccc1 758989840 NCTAQNNRWBQRKI-OAHLLOKOSA-N 311.400 4.537 30 20 DJED O=C1/C(=C/c2ccc(Cl)nc2Cl)CSc2ccccc21 761479987 YWTUASAOVHKVNP-JXMROGBWSA-N 322.216 4.760 30 20 DJED C=CCOc1ccccc1CN[C@H](C)c1ccc(N(C)CC)cc1 765909830 XDENRHXXODIHIL-QGZVFWFLSA-N 324.468 4.558 30 20 DJED CC(=NNc1cc(Cl)ccn1)c1ccccc1C(F)(F)F 777907465 VVIVRDDJNBTXGF-UHFFFAOYSA-N 313.710 4.590 30 20 DJED C#Cc1ccc(CNc2ccc(NC(=O)OC(C)(C)C)cc2)cc1 809598782 TXDGWUUMPHZPTO-UHFFFAOYSA-N 322.408 4.627 30 20 DJED C[C@H](N[C@@H](C)c1cccc(C2CC2)c1)c1ccc(OCC#N)cc1 815591554 KPZUDXBFOUPJAH-HOTGVXAUSA-N 320.436 4.878 30 20 DJED O=C(/C=C\c1ccc(Cl)s1)c1ccc(OC(F)F)cc1 834692920 JJZLAXORJBFRSO-ALCCZGGFSA-N 314.740 4.899 30 20 DJED Cc1ccc(C(=O)/C=C\c2csc(-c3ccccn3)n2)c(C)c1 915984752 NMXPQTOZBVASRY-CLFYSBASSA-N 320.417 4.718 30 20 DJED CC[C@H](C)c1ccc(-c2cc(C(=O)NO)c3ccccc3n2)cc1 916666247 XOVTUBKBONDHCU-ZDUSSCGKSA-N 320.392 4.534 30 20 DJED N#Cc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1F 1165673247 YWOZMTDQMWJWBW-UHFFFAOYSA-N 303.336 4.943 30 20 DJED N#Cc1c(CS[C@H]2CCOc3ccccc32)cn2ccccc12 1165818378 UXCOHMIGRFJTNM-IBGZPJMESA-N 320.417 4.568 30 20 DJED N#Cc1c(F)cccc1N1CCC(c2ccc(Cl)cc2)CC1 1186203307 OLINJSUTCUWDMG-UHFFFAOYSA-N 314.791 4.735 30 20 DJED C[C@H]1CCc2c(sc(NC(=O)[C@H]3CC[C@H](C)CC3)c2C#N)C1 1264129753 VIUKKXMHRJXGLQ-AVGNSLFASA-N 316.470 4.509 30 20 DJED N#Cc1ccc2c(c1)N(Cc1nc(C3CCCCC3)cs1)CC2 1307651851 MJBGWOZLJXHUOY-UHFFFAOYSA-N 323.465 4.625 30 20 DJED C=CCC1(c2nnc(-c3cc(C)nc4ccccc34)o2)CCC1 1329095375 RKYHNKFEUGWNHJ-UHFFFAOYSA-N 305.381 4.591 30 20 DJED Cc1cc(Cl)cc(C)c1NC(=O)CC1(C#N)CCCCC1 1347740136 FMEJUTVNRSFPCR-UHFFFAOYSA-N 304.821 4.760 30 20 DJED CCN(Cc1ccc(Cl)cc1)C(=O)CC1(C#N)CCCCC1 1352854979 FIOLBQJFKHYHEO-UHFFFAOYSA-N 318.848 4.553 30 20 DJED CCC[C@H](CC)C(=O)Nc1ccccc1S[C@@H](C)CC#N 1435129781 CPQCPOHTHWFQPB-KBPBESRZSA-N 304.459 4.846 30 20 DJED CC1(C)CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1460983086 MUKWTSRFGUVHNT-PKOBYXMFSA-N 324.468 4.658 30 20 DJED CC(C)(C)c1ccc2c(c1)CCN(Cc1ccc(C#N)cc1F)C2 1461882060 RIRVMKONNLEGRU-UHFFFAOYSA-N 322.427 4.553 30 20 DJED Cc1c([C@@H](C)NC(=O)CC2(C#N)CCCCC2)oc2ccccc12 1517975034 KVOOUXANZMKSJZ-OAHLLOKOSA-N 324.424 4.783 30 20 DJED N#Cc1cc(Cl)ccc1NC(=O)c1csc2ccccc12 1532002507 YNXSUYCLHNEPQZ-UHFFFAOYSA-N 312.781 4.679 30 20 DJED CCC[C@@H](CC1CCCC1)C(=O)Nc1ccc(C#N)c(F)c1 1583075944 PDZJQNZBCHUUDE-AWEZNQCLSA-N 302.393 4.632 30 20 DJED Cc1nc(N2CC(C)(C)[C@H]2c2ccccc2)c(Cl)cc1C#N 1642140589 VWYOHRISDCFYGT-MRXNPFEDSA-N 311.816 4.503 30 20 DJED Cc1ccc(C#N)c(N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)n1 1650752782 NKRYXDZLTLTRFQ-MZPVMMEZSA-N 311.816 4.724 30 20 DJED CC(C)CN(C/C=C/c1cccc(F)c1)Cc1ccc(C#N)cc1 1657409134 KWHNAPYFMRWEFX-GQCTYLIASA-N 322.427 4.869 30 20 DJED Cc1cc(C(F)(F)F)ccc1CNc1cc(C#N)ccc1C 1658086062 DQYCHZDUQGRWGA-UHFFFAOYSA-N 304.315 4.806 30 20 DJED CC(C)c1ccc(C(C)(C)NCc2cccc(F)c2C#N)cc1 1658533916 SLDPNNRHIMPLPZ-UHFFFAOYSA-N 310.416 4.846 30 20 DJED C[C@@H](CC12CC3CC(CC(C3)C1)C2)NCC(C)(C)CCC#N 1659947450 ZZCCHQUXPCMDBB-CCLIWJKGSA-N 302.506 4.901 30 20 DJED C=CCN(CC=C)C(=O)Cc1coc2cc(C)c(C(C)C)cc12 58044977 WMGSWSRTZAHTJK-UHFFFAOYSA-N 311.425 4.608 30 20 DJED C=CCOc1ccc(/C=C/C(=O)c2ccc(C)s2)cc1OC 71794997 HSECCVGWWRLEJG-SOFGYWHQSA-N 314.406 4.526 30 20 DJED C[C@@H](NCc1cccc(OCC#N)c1)c1ccc(C(C)(C)C)cc1 124308707 AVXISDJAVATJRK-MRXNPFEDSA-N 322.452 4.737 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@@H]1CC[C@@H](C)C1 129303985 KJUXJFIKFCYMMS-QLFBSQMISA-N 316.470 4.846 30 20 DJED Cc1cccc(Nc2nnc(SCCCCC#N)s2)c1C 136008402 OMFSWEJJZKARIK-UHFFFAOYSA-N 318.471 4.685 30 20 DJED CC[C@@H](N[C@H](CCC#N)c1ccccc1)c1cccc([N+](=O)[O-])c1 181577680 PZAHHVJPGDACMJ-RTBURBONSA-N 323.396 4.681 30 20 DJED C[C@H](NCc1ccc(F)cc1C#N)c1cc2ccccc2s1 184372139 AUQKBFLWCGMZCI-LBPRGKRZSA-N 310.397 4.763 30 20 DJED Cc1cc(C#N)ccc1CN[C@@H](C)c1c(F)cccc1Cl 186323436 HBKKDCQFJUHBRO-LBPRGKRZSA-N 302.780 4.510 30 20 DJED COc1cc(/C=C2/C(=O)c3ccccc3C2(C)C)ccc1SC 195733654 QGBBAIMMWHMNGV-WJDWOHSUSA-N 324.445 4.975 30 20 DJED C=CCOc1ccc(CN[C@@H]2CCSc3ccccc32)cc1 236684144 QXWNQPMFUHTRIY-GOSISDBHSA-N 311.450 4.578 30 20 DJED C#CC[C@@H](N[C@H]1CCSc2ccc(OC)cc21)c1ccccc1 276082133 BLCQKHSQGIUZDX-MOPGFXCFSA-N 323.461 4.586 30 20 DJED N#Cc1cc(C(F)(F)F)ccc1NCc1cccc2cc[nH]c12 322633310 RRESHDOGEKQQIX-UHFFFAOYSA-N 315.298 4.670 30 20 DJED Cc1noc(C)c1CC/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 328988276 CIMDZARGGMZBAR-ARFHVFGLSA-N 304.434 4.539 30 20 DJED Cc1cc(C)c(N/C(O)=N/[C@@H](C)c2cccc(C)c2C)c(C)n1 331353302 ZYQPKGBZIAFBDU-HNNXBMFYSA-N 311.429 4.711 30 20 DJED Cc1c(N[C@H](C)c2cccc(C#N)c2)cccc1-c1ncco1 427451922 RGYSGJKFZBEDCI-CQSZACIVSA-N 303.365 4.695 30 20 DJED CC(C)CN(C(=O)c1sccc1C1CC1)c1ccc(C#N)cc1 432719751 SOKMCMBCOFFYMM-UHFFFAOYSA-N 324.449 4.800 30 20 DJED CC(C)(C)OC1CC(CCNc2c(Cl)cccc2C#N)C1 432844500 DUPUTOCHWSDBNF-UHFFFAOYSA-N 306.837 4.607 30 20 DJED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(SC(C)C)cc1 436305898 IGFQJKDLDOMRBB-IEZWGBDMSA-N 319.514 4.819 30 20 DJED CC(C)CCn1ncc(N[C@@H]2CCC[C@H](C#N)C2)c1C(C)C 446972897 AXMMOJBBZAPYOF-JKSUJKDBSA-N 302.466 4.547 30 20 DJED C=CCCOCCCCC(=O)Nc1cccc(C2CCC2)c1 462387621 KXNLMSHDDZYBHO-UHFFFAOYSA-N 301.430 4.656 30 20 DJED CC(C)(CN[C@@H]1CCC[C@@H](C#N)C1)Cc1cccc(Cl)c1 463244312 GTYHQBPCNAERSH-NVXWUHKLSA-N 304.865 4.581 30 20 DJED CCCC[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C1CCC1 476300903 DIWIAGRTCLRFKM-GOSISDBHSA-N 312.457 4.576 30 20 DJED Cc1cc(Cl)c(NC(=O)c2cccc(C#N)c2C)cc1Cl 509182354 DRJFIALBUABVNJ-UHFFFAOYSA-N 319.191 4.734 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)[C@@H](CC)c1ccccc1 515875345 OZKLNOIXONPQRY-SFHVURJKSA-N 311.400 4.534 30 20 DJED CCC[C@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519993644 FHLZEQVDNXBDRN-AWEZNQCLSA-N 308.381 4.725 30 20 DJED CC(C)(C#N)CCN1Cc2ccccc2[C@@H](c2ccccc2)C1 534216631 ZAEYMALLBGZKSN-HXUWFJFHSA-N 304.437 4.574 30 20 DJED CC1(C)CCC[C@H](C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 535915052 ROMZYIRIYIYXRW-GBESFXJTSA-N 324.468 4.501 30 20 DJED C=CCCOCCCCC(=O)N(C)[C@H](C)c1cccc(Cl)c1 538263929 KRLNHYDTWMFJJY-OAHLLOKOSA-N 323.864 4.622 30 20 DJED C=CCCCC(=O)N1CCc2cc(Cl)c(Cl)cc2[C@H]1C 539036185 VWVKJRYQZQOPQJ-LLVKDONJSA-N 312.240 4.795 30 20 DJED C=CC[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 539502451 BXRHEVGFQQPDNA-NSHDSACASA-N 320.776 4.562 30 20 DJED C=CCN(C(=O)c1ccc(CSc2ccccc2)cc1)C1CC1 540135010 SHUZESCYBWZIOT-UHFFFAOYSA-N 323.461 4.770 30 20 DJED C=C(C)[C@@H](NCc1cnc(C2CC2)s1)c1ccc(F)c(F)c1 548475132 PPZZUBPHQCPOMM-MRXNPFEDSA-N 320.408 4.706 30 20 DJED C[C@H]1CC[C@@H](c2ccccc2)N(c2ncc(C#N)cc2Cl)C1 553333897 NKLNHLZAVSORJD-GUYCJALGSA-N 311.816 4.584 30 20 DJED C=CC[C@H]1N(C(=O)Nc2cccc3cc[nH]c23)CCCC1(C)C 572229055 NDTYJYGJNUPFAR-MRXNPFEDSA-N 311.429 4.767 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)C1CC2(CCC2)C1 576400351 HTNBDKTUUTZQFZ-CYBMUJFWSA-N 314.454 4.600 30 20 DJED Cc1nc(-c2ccc(NC(=O)CCCCCC#N)cc2)cs1 588148371 USAIWDRMCFCLPY-UHFFFAOYSA-N 313.426 4.531 30 20 DJED CC(C)(CN[C@@H]1CCCc2cc(C#N)ccc21)c1cccs1 611392897 UHJJNUHSCLPCKZ-QGZVFWFLSA-N 310.466 4.565 30 20 DJED C=C[C@H](CC(=O)N[C@H](C)c1ccc(F)cc1F)c1ccccc1 677504147 PMNVNOISBPAYJY-ZIAGYGMSSA-N 315.363 4.502 30 20 DJED C=C(C)CN(C)C(=O)c1ccc(Oc2ccccc2Cl)cc1 679204426 FDUPTGUPBFEWEG-UHFFFAOYSA-N 315.800 4.780 30 20 DJED O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1cncs1 735792647 HUQRZDNGEGDUEB-FLIBITNWSA-N 321.401 4.618 30 20 DJED CC(C)(C#N)CCCN1CC=C(c2c[nH]c3ccccc23)CC1 746656185 UPQAOIJVZLRJFC-UHFFFAOYSA-N 307.441 4.587 30 20 DJED COc1ccc(C(C)=NNc2cccc3ccccc23)c(OC)c1 747060504 UCUUXFNNSMGVGN-UHFFFAOYSA-N 320.392 4.693 30 20 DJED O=C1/C(=C/c2ccc(Cl)nc2Cl)CCc2sccc21 761475803 GAPFCUMCHQCFDE-BQYQJAHWSA-N 310.205 4.662 30 20 DJED CCCCCCC[S@@](=O)Cc1ccc(C(F)(F)F)cc1 764438237 MBALUYUUWKCJHV-HXUWFJFHSA-N 306.393 4.925 30 20 DJED CCCC(=CC(=O)Nc1cccc(OCCCC#N)c1)CCC 770672950 CNNLXKMXZDDPJI-UHFFFAOYSA-N 314.429 4.834 30 20 DJED Cc1ccc(C(=O)/C=C/c2cnc(-c3ccco3)s2)cc1C 788096244 AEQXFIKHPUOCFO-BQYQJAHWSA-N 309.390 4.916 30 20 DJED CC(C)(C#N)CCCC[S@@](=O)[C@H]1CCc2cc(Cl)ccc21 794789748 PWXVEQNCMWBWRV-HRAATJIYSA-N 323.889 4.796 30 20 DJED C[C@@H](C#N)OCCS[C@H](c1ccccc1)c1ccc(F)cc1 801661792 SNBKTFNNZHSSQE-KBXCAEBGSA-N 315.413 4.577 30 20 DJED C[C@H](NCC(C)(C)CCC#N)c1ccc(N2CCCCC2)cc1 806178460 UNNLBYVUDMRQBD-KRWDZBQOSA-N 313.489 4.657 30 20 DJED N#Cc1c(SC/C=C/Cl)nc2c(c1-c1ccco1)CCC2 808957981 WLNWNPHODDZTFF-XVNBXDOJSA-N 316.813 4.547 30 20 DJED C=CCC(F)(F)C(=O)N(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 815745989 UFAFGFZCBTWQHL-RYUDHWBXSA-N 315.791 4.502 30 20 DJED CC1(C)CC=C(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)CC1 835388278 QWNQJLSGVAVVGJ-CYBMUJFWSA-N 316.470 4.753 30 20 DJED C[C@H](OC(=O)[C@]1(C#N)CC12CCCC2)c1cccc(Cl)c1F 837903928 ZZTIAZRGCQYKRV-APPDUMDISA-N 321.779 4.557 30 20 DJED C[C@@H](OC(=O)[C@]1(C#N)CC12CCCC2)c1cccc(Cl)c1F 837903937 ZZTIAZRGCQYKRV-PIGZYNQJSA-N 321.779 4.557 30 20 DJED CCCCCCCCCNC(=O)N1CCC[C@@H]1c1cc(C)no1 916194204 LCQFRMAATWSPDG-MRXNPFEDSA-N 321.465 4.580 30 20 DJED COc1cccc(C=NNc2ccc(Cl)cc2)c1OC(C)C 916246755 LOWWVMDLZQBXHX-UHFFFAOYSA-N 318.804 4.582 30 20 DJED C[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 1125470060 MEGHNUBQXLKCNT-GOEBONIOSA-N 320.392 4.725 30 20 DJED C[C@@H](C#N)Oc1ccccc1NCc1cccc(OC(C)(C)C)c1 1178285038 HYMVWKSDOGIOMF-HNNXBMFYSA-N 324.424 4.767 30 20 DJED CCN(CCC1(C#N)CCCCC1)[C@@H](C)c1ccc(C#N)cc1 1190476406 RYMAMDSMYHYYEB-KRWDZBQOSA-N 309.457 4.805 30 20 DJED CC[C@H](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@H]2C 1273945936 FGPDOVLGGCRSFD-XQHKEYJVSA-N 318.486 4.926 30 20 DJED CC(C)(C)C[C@@H](Nc1cccc(CC#N)n1)c1ccc(F)cc1 1320491068 QEYUTXVJFIVQOO-QGZVFWFLSA-N 311.404 4.876 30 20 DJED CCCCCCCc1nnc([C@H](C)Oc2ccccc2F)o1 1322092401 UXOUHTYFKPTLHQ-ZDUSSCGKSA-N 306.381 4.862 30 20 DJED C=CCC[C@@H]1CCCN1C(=O)Nc1cccc(SC)c1C 1346454907 IHIYDTBVMBMVBG-CQSZACIVSA-N 304.459 4.679 30 20 DJED Cc1ccccc1C1(C(=O)Nc2ccc(C#N)cc2)CCCCC1 1348469699 XWHNOZOSDUGMAY-UHFFFAOYSA-N 318.420 4.707 30 20 DJED N#Cc1cnc(N2CCCC3(CCCCC3)CC2)c(Cl)c1 1458322249 YJMMGSDZPBDCRO-UHFFFAOYSA-N 303.837 4.547 30 20 DJED CN(C(=O)Nc1ccc(F)c(C#N)c1)c1cccc2ccccc12 1465520628 ICIHOSOALJDSFX-UHFFFAOYSA-N 319.339 4.519 30 20 DJED Cc1nc(N[C@@H](c2ccccc2)C2CCC2)c(Cl)cc1C#N 1472688252 VVRKGEXIDLWJRK-KRWDZBQOSA-N 311.816 4.868 30 20 DJED N#Cc1cccc(C#N)c1N[C@@H]1C[C@H]1c1ccc2ccccc2c1 1472769997 AGQYPULPLRGVMW-VQTJNVASSA-N 309.372 4.551 30 20 DJED Cc1cc(C)cc(CN2CCC(c3ccc(C#N)cc3)CC2)c1 1473838945 OEFYLXNLUWSLAW-UHFFFAOYSA-N 304.437 4.555 30 20 DJED CC[C@@H](CC1CCCC1)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1537067570 IEBHTBITHKMYGH-YJBOKZPZSA-N 312.457 4.684 30 20 DJED Cc1csc(NC(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)c1C#N 1539627547 PEOYIVKQNALKDV-HZPDHXFCSA-N 324.449 4.526 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)NC1(c2cccc(C#N)c2)CC1 1544451090 BTAYKJVJUPGPDV-SFHVURJKSA-N 324.468 4.660 30 20 DJED Cc1ccnc(NCc2ccc(-c3cccs3)cc2)c1C#N 1559231868 KMVGLTWYTKRVMN-UHFFFAOYSA-N 305.406 4.602 30 20 DJED N#Cc1ccc(-c2ccccc2)nc1SC1CCSCC1 1613548367 MIRJNIHXOBTGPP-UHFFFAOYSA-N 312.463 4.608 30 20 DJED N#Cc1ccc(CSc2nc3cccc(F)c3s2)c(F)c1 1641374541 MSEHAHWTLQNRBW-UHFFFAOYSA-N 318.373 4.738 30 20 DJED N#Cc1cnc(N[C@@H]2CCCc3ccc(Cl)cc32)c(Cl)c1 1643005553 DZHZTABTEMUOMJ-OAHLLOKOSA-N 318.207 4.750 30 20 DJED N#Cc1ccc(CN2CCC[C@H]2CCCc2ccccc2)s1 1644939079 FVJHXGKWFQMUEH-QGZVFWFLSA-N 310.466 4.607 30 20 DJED Cc1ccc([C@H]2CCCN2c2nc(C(C)(C)C)ccc2C#N)cc1 1650370775 GNSWOUNVSUPZQR-GOSISDBHSA-N 319.452 4.901 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2CCC[C@@H](C(C)(C)C)CC2)n1 1650752532 FPZSYHSQHZJSMI-MRXNPFEDSA-N 313.489 4.903 30 20 DJED Cc1ccccc1-n1ccnc1S[C@@H](C)c1cccc(C#N)c1 1652521091 HOPDIZVSGLSOAE-HNNXBMFYSA-N 319.433 4.906 30 20 DJED C[C@H](N[C@H]1CC[C@@](C)(c2ccccc2)C1)c1cccc(C#N)c1 1658897378 KGICLRJJWKKFIJ-ORYQWCPZSA-N 304.437 4.719 30 20 DJED CCCCC1CCC(CNC(=O)NCC(C)(C)CCC#N)CC1 1675885545 JXVPWQIJQZYTQG-UHFFFAOYSA-N 321.509 4.612 30 20 DJED C=CCCCCCCCNc1cc(C)c([N+](=O)[O-])cc1C(=O)O 1776172877 YJKHNKHZKHQMNQ-UHFFFAOYSA-N 320.389 4.540 30 20 DJED O=C(/C=C\c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 33613112 XHASPLYIDQGPSB-YWEYNIOJSA-N 322.147 4.798 30 20 DJED CC(C)[C@@H](NCc1cc(C#N)cs1)c1ccc(Cl)cc1 93492227 WUJNZKDJCRKZNY-MRXNPFEDSA-N 304.846 4.760 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(C(C)(C)C)cc2)cc1O 96767432 NQEMSIGKGLRQFR-WZUFQYTHSA-N 310.393 4.594 30 20 DJED CC[C@@H](CC#N)NC(=O)Nc1ccc(S[C@H](C)CC)cc1C 157317903 PBFGBTYCJUUVGT-KGLIPLIRSA-N 319.474 4.699 30 20 DJED COc1ccc(/C=C2/CCc3[nH]c4ccc(F)cc4c3C2=O)cc1 210287906 WPEDVAFRLOQQCA-RAXLEYEMSA-N 321.351 4.528 30 20 DJED O=C(/C=C\c1ccc(O)c(Cl)c1)c1ccc(OC(F)F)cc1 214122252 YOVDQCSMNKZKFO-XFSBKJJWSA-N 324.710 4.543 30 20 DJED CC(C)(C#N)CCCCSc1nnc(-c2cccs2)o1 277553327 JLZPBLNYQUMBSF-UHFFFAOYSA-N 307.444 4.610 30 20 DJED C=CCNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 303935833 QMDWMZBQVBSESO-UHFFFAOYSA-N 322.191 4.702 30 20 DJED N#CCOc1cccc(N[C@H]2CCCC[C@@H]2c2ccccc2)c1 319957042 UZOSBKYRBNUXGP-UXHICEINSA-N 306.409 4.727 30 20 DJED O/C(CC/C(O)=N\C1CCCC1)=N\[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 328791322 QSXWBFZBCFOHKX-ZMSDIMECSA-N 320.477 4.981 30 20 DJED CCc1noc(CC)c1C/C(O)=N/[C@H]1CCCCC12CCCC2 329721016 DTXIWCZGUJHFQP-KRWDZBQOSA-N 318.461 4.801 30 20 DJED C=CCC[C@@H](NCc1ccccn1)c1ccc(C(F)(F)F)cc1 342199774 WTRGKQGFFIECSG-QGZVFWFLSA-N 320.358 4.898 30 20 DJED N#CC1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 411216448 FLYMNAAETVZRIO-LJQANCHMSA-N 310.828 4.665 30 20 DJED COc1ccc(CS[C@@H](C)c2cccc(C#N)c2)cc1F 442726225 WWOCHXMHXALZJN-LBPRGKRZSA-N 301.386 4.700 30 20 DJED C[C@@H](C(=O)N(c1ccccc1)C1CCCC1)c1cccc(C#N)c1 463947239 RXAJRWCOQFQDHV-MRXNPFEDSA-N 318.420 4.638 30 20 DJED C=CCC(CC=C)C(=O)Nc1cc(Cl)c(Cl)cc1F 466573398 CRQIGGFMQALCCN-UHFFFAOYSA-N 302.176 4.839 30 20 DJED C=CC[C@H]1N(C(=O)c2cccc(C(F)F)c2)CCCC1(C)C 470270349 IPDUMWJSCYLHOX-OAHLLOKOSA-N 307.384 4.831 30 20 DJED CCC(CC)N(C(=O)c1ccc(C#N)cc1)c1cccc(C)c1 471433406 YYUAFTKCNCHJLJ-UHFFFAOYSA-N 306.409 4.702 30 20 DJED C=C(C)[C@@H](N[C@H]1CCc2ccc(F)cc21)c1ccc(F)c(F)c1 480696236 UUCCNZCFLJCVFF-RBUKOAKNSA-N 317.354 4.998 30 20 DJED N#Cc1cc(F)ccc1CSc1nc2ccc(Cl)cc2o1 483207572 KLJKKGGYQVUGHF-UHFFFAOYSA-N 318.760 4.784 30 20 DJED C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)[C@H]1c1ccccc1 487397955 VJIUAUZDXAQQRE-OXJNMPFZSA-N 304.437 4.681 30 20 DJED N#Cc1ccc(NCc2ccc(CN3CCCCCC3)cc2)cc1 519888144 BSDRWNLQNMMNHZ-UHFFFAOYSA-N 319.452 4.546 30 20 DJED Cc1ccc(Sc2ccc(NC(=O)[C@H](C)C#N)cc2)cc1C 522847245 LIFMASZYQZKTIU-CQSZACIVSA-N 310.422 4.553 30 20 DJED N#CC1(c2nc(-c3cccc4ccccc34)no2)CCCCC1 530640492 AZNLIPWWIQNSPT-UHFFFAOYSA-N 303.365 4.615 30 20 DJED C=CCCO[C@@H](C)C(=O)Nc1ccc(SC2CCCC2)cc1 532503403 LJTVIAHYNNAMFL-AWEZNQCLSA-N 319.470 4.641 30 20 DJED C=C[C@@H](CC(=O)Nc1sc(C)c(CC)c1C#N)c1ccccc1 534004675 MWWUSBYBPNLNAQ-AWEZNQCLSA-N 324.449 4.789 30 20 DJED C=C[C@H](CC(=O)Nc1cncc2ccccc12)c1ccccc1 535442017 OWRIOTLWJWNYFI-OAHLLOKOSA-N 302.377 4.533 30 20 DJED C=C[C@H](CC(=O)N1CC[C@@H](c2ccccc2F)C1)c1ccccc1 556034974 WQWJYHSOSSUZNS-SJLPKXTDSA-N 323.411 4.502 30 20 DJED Cc1nsc(N[C@H](C)c2ccccc2C(F)(F)F)c1C#N 561212901 RDESMKCXGGCTNW-MRVPVSSYSA-N 311.332 4.515 30 20 DJED Cc1cccc(NC(=O)C[C@H](CC#N)c2ccccc2)c1Cl 569101612 CZOJMYROBNHRRH-HNNXBMFYSA-N 312.800 4.675 30 20 DJED N#CCc1ccc(-c2nc(-c3ccc4ccccc4c3)no2)cc1 578282279 ZFLYXFZROLLKFK-UHFFFAOYSA-N 311.344 4.623 30 20 DJED Cc1csc(NC(=O)c2ccc(-c3ccco3)s2)c1C#N 589034516 KPGDJYLSUXVRCP-UHFFFAOYSA-N 314.391 4.502 30 20 DJED C=C(C)COc1cccc(NC(=O)c2cc3cc(C)ccc3[nH]2)c1 589552981 SACWKNSUGCKSGG-UHFFFAOYSA-N 320.392 4.684 30 20 DJED COc1ccc([C@@H]2CCCN2CCCCC(C)(C)C#N)cc1F 595751820 HRBCINRHYSUVTC-KRWDZBQOSA-N 318.436 4.691 30 20 DJED CCC(C#N)(CC)c1nc(CSc2ccc(Cl)cc2)no1 599115816 FFVQMAANYYMWEF-UHFFFAOYSA-N 321.833 4.597 30 20 DJED CCCCC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 603533284 ZTWZVCLTNZOIQM-UHFFFAOYSA-N 324.399 4.729 30 20 DJED N#Cc1c(F)cccc1N1CCC[C@H](c2cc3ccccc3[nH]2)C1 608778856 JLIGTYPFOONICU-HNNXBMFYSA-N 319.383 4.563 30 20 DJED Cc1c(C(=O)N[C@H](C#N)CC(C)C)oc2c1ccc1ccccc12 608821109 NOSAEZBYCGDHPU-HNNXBMFYSA-N 320.392 4.563 30 20 DJED CCC[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(OC)cc1 618805968 LIQTVRXZMAGRAG-SFTDATJTSA-N 320.436 4.685 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1ccc2cnccc2c1 618819055 NYDNDRFBDOHGGH-UHFFFAOYSA-N 317.392 4.506 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1C[C@H](c2cccc(F)c2)C1 619554196 UUXGLUFBIKYKNR-CUWPLCDZSA-N 320.411 4.611 30 20 DJED C=CC[C@H](CC)NC(=O)[C@@H](C)c1c(Cl)cccc1Cl 684938654 FMLLNBWRNYXTDH-QWRGUYRKSA-N 300.229 4.568 30 20 DJED Cc1cccc2c1C/C(=C\c1ccc(N3CCCCC3)cc1)C2=O 729150423 KEBSSTUJPXOZAA-NBVRZTHBSA-N 317.432 4.808 30 20 DJED Oc1c(Cl)cc(Cl)cc1/C=N\Cc1cc2ccccc2[nH]1 746682515 XTMCMECJPGBKFH-UWVJOHFNSA-N 319.191 4.799 30 20 DJED CC(CCC1CCCCC1)=NNc1ccc(C(F)(F)F)nn1 754710443 JQDKLVSLBDJXTK-UHFFFAOYSA-N 314.355 4.644 30 20 DJED C[C@@H](CC=NNc1nc(C(F)(F)F)cs1)c1ccccc1 755770948 QBYVCXJNUNMUOO-JTQLQIEISA-N 313.348 4.753 30 20 DJED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(F)CCCC2)cc1 772161733 KRDVSINYVKLNJO-SFHVURJKSA-N 322.383 4.563 30 20 DJED C#CCCCCC(=O)N(Cc1ccc2ccccc2c1)C1CC1 773280613 AVGHJPCBORXZJB-UHFFFAOYSA-N 305.421 4.524 30 20 DJED CC(=NNc1ccccc1OC(F)(F)F)C1CCSCC1 777452517 XYKSJSFNBXRJCN-UHFFFAOYSA-N 318.364 4.516 30 20 DJED FC(F)(F)CCON=CC(c1ccccc1)c1ccccc1 777458615 CIWCKDYTTKRSDK-UHFFFAOYSA-N 307.315 4.773 30 20 DJED C/C=C/C=C/C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782484212 DVJQHDDLOVCUMC-MPGXQCQCSA-N 316.404 4.535 30 20 DJED CC(C)n1nccc1/C=C/C(=O)c1cc(Cl)sc1Cl 794937621 HJYSSKNRRRSZEH-ONEGZZNKSA-N 315.225 4.728 30 20 DJED CC[C@H](C)CCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 796810668 LFRFLOMDEQODJC-DZGCQCFKSA-N 312.438 4.813 30 20 DJED CCCCCCCC(=O)Nc1cnn(CC(C)C)c1C1CC1 807724762 DERMXZQJZIZHPA-UHFFFAOYSA-N 305.466 4.716 30 20 DJED C#C[C@@H](NC1CCC(C(F)(F)F)CC1)c1ccc(Cl)cc1 811516728 UUONQRHDTSHPLU-PESDSKBTSA-N 315.766 4.725 30 20 DJED O=C(c1ccc(C2CC2)cc1)N(O)Cc1cccc2ccccc12 901370964 JOWSNJDEMKYWGT-UHFFFAOYSA-N 317.388 4.749 30 20 DJED COc1cccc(/C=C\C(=O)c2cc3cc(Cl)ccc3o2)c1 916129914 CIHKPBKREMFNFX-ALCCZGGFSA-N 312.752 4.991 30 20 DJED Cc1ccc(C)c2c1OC/C(=C/c1ccc3cnccc3c1)C2=O 1116815522 PPFMEIXULWLIBS-ZDLGFXPLSA-N 315.372 4.510 30 20 DJED Cc1c(C#N)cccc1C(=O)O[C@H](C)c1cccc(OC(C)C)c1 1128018063 POZFQMROUVPWKT-OAHLLOKOSA-N 323.392 4.572 30 20 DJED CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CC12CCC(C(C)(C)CC)CC2 1141768259 OBMBAEQETUHGEV-HMFCVHIJSA-N 318.505 4.627 30 20 DJED N#Cc1ccc(SC[C@@H](O)c2ccc(Cl)cc2Cl)cc1 1188650666 UMXRZPIFJLWOLK-OAHLLOKOSA-N 324.232 4.691 30 20 DJED Cc1cc(CN2CCC[C@@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)ccc1C#N 1204907272 DVPNFGZHBXUZHX-BVPXEZJJSA-N 308.469 4.657 30 20 DJED Cc1cc(C(=O)Nc2ccc(Cl)c(C#N)c2)c(C)cc1Cl 1352797306 ITRJQNQOALFQHG-UHFFFAOYSA-N 319.191 4.734 30 20 DJED CCc1ccc(NC2CC(C#N)(c3ccccc3)C2)cc1Cl 1462216474 QRBSRBUJZYPDAR-UHFFFAOYSA-N 310.828 4.938 30 20 DJED CCC[C@@H](CC(C)C)C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 1515788025 VTFDXHDZJAZNKX-APWZRJJASA-N 314.473 4.930 30 20 DJED CCc1ccc2occ(C(=O)Nc3ccc(C#N)c(Cl)c3)c2c1 1530354575 DXDCZEGPJZIURS-UHFFFAOYSA-N 324.767 4.773 30 20 DJED CC1(C)CCC[C@@H](CNC(=O)Nc2ccc(C#N)c(Cl)c2)C1 1562110830 WMZSOHJMXBMPNL-GFCCVEGCSA-N 319.836 4.550 30 20 DJED Cc1c(C#N)cccc1C(=O)N1CCCc2cccc(C(C)C)c21 1583986144 FOSALURTJAGZNP-UHFFFAOYSA-N 318.420 4.583 30 20 DJED N#Cc1ccccc1N(C(=O)[C@@H]1[C@H]2CCCCCC[C@H]21)C1CCC1 1586218137 UGXRXBCBGIQZCI-RUYXUALKSA-N 322.452 4.660 30 20 DJED COc1ccc(CSCc2ccccc2C#N)cc1Cl 1641112412 QKXPHMWLIVNPAA-UHFFFAOYSA-N 303.814 4.654 30 20 DJED CC1(C)CCc2ccccc2[C@@H](NCc2ccc(CC#N)cc2)C1 1645398049 PXBLUJFIXQCFAZ-NRFANRHFSA-N 318.464 4.946 30 20 DJED Cc1cc(NCC(C)(C)Cc2cccc(Cl)c2)ncc1C#N 1651647355 DRXCSGAVXMPJTB-UHFFFAOYSA-N 313.832 4.596 30 20 DJED Cc1ccc([C@H]2CCC[C@H]2N(C)Cc2ccc(C#N)cc2C)cc1 1652575627 PHPIVGCZMDAEIW-FGZHOGPDSA-N 318.464 4.943 30 20 DJED N#Cc1cccnc1Nc1ccc(OCC2CCCCC2)cc1 1655051090 DNHLKYCLYMPMHG-UHFFFAOYSA-N 307.397 4.656 30 20 DJED C[C@@H](CCC#N)CN(CCc1cccc(F)c1)C1CCCC1 1658409297 VCFCCVACRFEARY-INIZCTEOSA-N 302.437 4.553 30 20 DJED C=CCN1C(=O)c2ccccc2N[C@H]1c1cccc2ccccc12 24034400 NFXITRQWVAZWMZ-HXUWFJFHSA-N 314.388 4.592 30 20 DJED C[C@H](Nc1ccc(CC(F)(F)F)cc1)c1cccc(C#N)c1 182263595 XWOUPPZMVZUDDT-LBPRGKRZSA-N 304.315 4.836 30 20 DJED Cc1ccc(C(=O)NCCCCC#N)c(Sc2ccccc2)c1 182611520 UGGJXLAKLGFQPF-UHFFFAOYSA-N 324.449 4.570 30 20 DJED C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc2ccccc2c1 192147087 CRKYISCGSURAOD-AWEZNQCLSA-N 304.368 4.701 30 20 DJED CC(C)[C@@H](CNCc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1 236697485 FDZGUKIPARDHLQ-LAUBAEHRSA-N 322.452 4.507 30 20 DJED CC(=NNc1nc2ccccc2n1C)c1cccc2ccccc12 254300796 NMUREQNFJGDACG-UHFFFAOYSA-N 314.392 4.563 30 20 DJED N#Cc1cccc(Cl)c1N[C@@H](c1ccccc1)c1ccccn1 301199078 LQWMYFDLXJIMFN-IBGZPJMESA-N 319.795 4.808 30 20 DJED CC[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc(Cl)cc1 315906018 RHTFGUDQSIIDGX-OAHLLOKOSA-N 315.760 4.683 30 20 DJED CCc1noc(C)c1C/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 329522953 GHYJBDCTBSNZFV-SOUVJXGZSA-N 304.434 4.608 30 20 DJED COc1ccc([C@H](C)[C@H](C)N[C@@H](CCC#N)c2ccccc2)cc1 358332346 VRXWYEDTAKFMBM-WWMYMODYSA-N 322.452 4.822 30 20 DJED CC(C)(C)OC(=O)c1cccc(CSCCCCC#N)c1 409870728 BWPHEFBETHVDHV-UHFFFAOYSA-N 305.443 4.569 30 20 DJED CC(C)(C)c1csc(NC(=O)CCc2ccsc2)c1C#N 410923764 CNJWCBUOQDQLJC-UHFFFAOYSA-N 318.467 4.550 30 20 DJED CCc1ccsc1C(=O)Nc1sc(C(C)(C)C)cc1C#N 411003875 BDSINYUZMGMJCB-UHFFFAOYSA-N 318.467 4.793 30 20 DJED C[C@H](Nc1ccc(C#N)nc1)c1cc(F)c(Cl)cc1Cl 426593558 OXUYDLXYTBUDHE-QMMMGPOBSA-N 310.159 4.572 30 20 DJED C=CCCCN[C@H](Cc1cccnc1)c1ccc(Cl)cc1 448026093 GWRXQPRGMKRUBQ-GOSISDBHSA-N 300.833 4.575 30 20 DJED CSc1ccc(N[C@H]2CCCCc3cc(C#N)ccc32)nc1 481989232 FYBGJQWGYNTLON-KRWDZBQOSA-N 309.438 4.555 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1ccc2ncsc2c1 482737649 SOGVDHDFWAIGBD-UHFFFAOYSA-N 314.454 4.505 30 20 DJED N#Cc1ccc(NCc2ncc(-c3cccs3)o2)c(Cl)c1 486567167 OCPPZNNXAZJYDE-UHFFFAOYSA-N 315.785 4.540 30 20 DJED C=CCN(CCc1ccco1)C(=O)Nc1ccc(C2CCC2)cc1 489792316 OUDPMAPQAROAMV-UHFFFAOYSA-N 324.424 4.810 30 20 DJED N#Cc1ccc(Sc2ncnc3sc4c(c23)CCCC4)cc1 497648988 XGMSIRYFHFZQCZ-UHFFFAOYSA-N 323.446 4.593 30 20 DJED CCN(C(=O)C1C[C@H](C)C[C@@H](C)C1)[C@@H](C)c1ccc(C#N)cc1 502727108 PEYUAJWYXRYXFR-OAGGEKHMSA-N 312.457 4.540 30 20 DJED Cc1ccc(CSCCCC2(C#N)CCOCC2)c(Cl)c1 512387155 LBIPMZGWHSGUPD-UHFFFAOYSA-N 323.889 4.982 30 20 DJED Cc1ccc(-n2nc(N[C@H](C)c3cccc(C#N)c3)cc2C)cc1 527211023 MNCGITFSGWVURJ-MRXNPFEDSA-N 316.408 4.534 30 20 DJED N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cc2ccccc2o1 532623518 IKHZNJRDQWSQER-VQTJNVASSA-N 316.404 4.705 30 20 DJED C[C@@H](NCc1ccc(F)cc1C#N)c1ccccc1C(F)(F)F 537156651 SRXIBQCGEFMBKD-LLVKDONJSA-N 322.305 4.567 30 20 DJED N#CCC1CCN(c2ccc3ccc(Cl)c(Cl)c3n2)CC1 542864979 PZZWZZABGSMFMK-UHFFFAOYSA-N 320.223 4.672 30 20 DJED C=C[C@@H]1CCCCN1Cc1ncc(-c2ccc(Cl)cc2)o1 555560675 SKKUYCKHYUGKEF-OAHLLOKOSA-N 302.805 4.536 30 20 DJED CSc1ccc([C@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cc1 573048900 ZGLRNDAUMQARJD-ORAYPTAESA-N 308.450 4.618 30 20 DJED CC(C)(CCC#N)CNCc1ccc(-c2ccc(F)cc2)s1 577556832 JQYVVKNHYYGWGS-UHFFFAOYSA-N 316.445 4.974 30 20 DJED C[C@H](NCc1ccc(C#N)c(Cl)c1)c1cccc(C2CC2)c1 590254396 CGWMYRKQJXHJEE-ZDUSSCGKSA-N 310.828 4.940 30 20 DJED N#Cc1ccc(CN2CCC[C@H]2c2cccc(Cl)c2)c(F)c1 603855457 STLNVYPKZMHFEL-SFHVURJKSA-N 314.791 4.688 30 20 DJED CCCN(Cc1ccc(OC)cc1)[C@H](C)c1ccc(C#N)cc1 604492902 SDKCNTSRMJZINB-MRXNPFEDSA-N 308.425 4.540 30 20 DJED C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 604901062 YRHUJEOWJILBGF-CRAIPNDOSA-N 314.473 4.795 30 20 DJED CCN(C(=O)Nc1cccc(C#Cc2cccs2)c1)C1CCC1 606548563 DBZKLFDZVLPDHB-UHFFFAOYSA-N 324.449 4.554 30 20 DJED CC(C)(C)c1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 618742973 UJVMMKIEPPTUJX-HXUWFJFHSA-N 304.437 4.633 30 20 DJED N#Cc1ccc(CN[C@@H]2CCCc3cc(F)ccc32)cc1Cl 619755148 UOJUHORZOOKHIF-GOSISDBHSA-N 314.791 4.518 30 20 DJED C=C(C)CNc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 733996270 QHEXZBHCGVEYJA-UHFFFAOYSA-N 308.303 4.881 30 20 DJED Cc1c(C(=O)/C=C\c2cnc3c(C)cccn23)oc2ccccc12 741468467 TZRGNFNGIYHFKK-KTKRTIGZSA-N 316.360 4.593 30 20 DJED Cc1ccc(/C=C\C(=O)c2c(Cl)nc3sccn23)cc1C 741844853 RXNVRKJQYIZUTG-WAYWQWQTSA-N 316.813 4.562 30 20 DJED CC(=NNc1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1 749260925 FTIQJYPMEOMUDM-UHFFFAOYSA-N 318.405 4.518 30 20 DJED C#CCCCC(=O)Nc1nc(-c2cccc(Cl)c2)c(C)s1 757834380 OZIBNMFSFHMNQE-UHFFFAOYSA-N 318.829 4.514 30 20 DJED CSc1cc(C(=O)OCCCCC#N)c(Cl)cc1Cl 761187436 VPEUCDQCQZAUHN-UHFFFAOYSA-N 318.225 4.566 30 20 DJED O=C1/C(=C/c2ccc3ncccc3c2)CCc2ccc(F)cc21 776192545 LDZGVEZPQGTNIG-LFIBNONCSA-N 303.336 4.586 30 20 DJED CCOc1ccc(N[C@@H](C)c2ccc(C#N)c(F)c2)cc1Cl 776824578 OPMRFVXRHQTVBZ-NSHDSACASA-N 318.779 4.923 30 20 DJED CO[C@H](C(C)=NNc1ncc(Cl)cc1Cl)c1ccccc1 782152039 MHGLTDIHDRBLJK-CQSZACIVSA-N 324.211 4.564 30 20 DJED Cc1ccsc1/C=C\C(=O)c1ccc([N+](=O)[O-])cc1Cl 782189559 RQLIFFRAJVYVBQ-PLNGDYQASA-N 307.758 4.514 30 20 DJED CCOc1cccc(C(=O)/C=C\c2ccc3cnccc3c2)c1 782328777 PFOWDZOKOUQRKO-CLFYSBASSA-N 303.361 4.530 30 20 DJED CC1(C)CCC[C@@H](C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)C1 797567850 MTKOXNZCKIKBJN-OLZOCXBDSA-N 318.486 4.833 30 20 DJED C#C[C@H](NCc1ccc(SC)cc1)c1ccc(Cl)cc1F 809699536 SPYRIGDUBKCBLT-KRWDZBQOSA-N 319.832 4.665 30 20 DJED COCc1ccccc1/C=C(C)/C=C\C(=O)c1ccc(F)cc1 814187658 PUFKGQYFDLTXJL-XSAPRFFASA-N 310.368 4.815 30 20 DJED CC[C@H](C#N)Oc1cccc(CN[C@H]2CCCC23CCCC3)c1 815593533 PKNOAYINNMDIIF-MJGOQNOKSA-N 312.457 4.570 30 20 DJED C[C@@H](NN=Cc1c(Cl)ccc(Cl)c1Cl)C(F)(F)F 834996370 QXDOLWKHMVVYQG-RXMQYKEDSA-N 319.541 4.521 30 20 DJED N#C[C@H](c1nc2ccccc2o1)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 850783287 YQWXCVNXOISRPO-JYJNAYRXSA-N 322.408 4.611 30 20 DJED C=CCC1(CN[C@H]2CCC[C@H](CCCC(=O)O)C2)CCCC1 902268670 MDIOYBDHYHZAGR-SJORKVTESA-N 307.478 4.526 30 20 DJED CCCOc1ccc(/C=C/C(=O)c2ccccc2F)cc1OC 916136330 GUADSEPGWRBTPA-CSKARUKUSA-N 314.356 4.519 30 20 DJED Cc1ccc(C(=O)/C=C/c2cnc(-c3ccccc3)nc2)c(C)c1 917143316 YIMTYKRTFDLXGQ-PKNBQFBNSA-N 314.388 4.657 30 20 DJED O=C(/C=C\c1cccc(F)c1)c1ccc(OCC(F)(F)F)cc1 920481184 XBUXFIGOUASWKK-WTKPLQERSA-N 324.273 4.663 30 20 DJED N#CC[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 1124461271 LFOLODJEZJCHGF-OAHLLOKOSA-N 319.191 4.629 30 20 DJED CC[C@H](CCc1ccccc1)Nc1ncc(Cl)c(C)c1C#N 1163728378 KBGQUIPBTIUEBI-OAHLLOKOSA-N 313.832 4.738 30 20 DJED N#Cc1ccccc1-c1ccc(CN2CCCC23CCC3)cc1 1176371770 ADEWQYPVYMJKHM-UHFFFAOYSA-N 302.421 4.744 30 20 DJED Cc1cc(CN(CCc2ccc(F)cc2)CC(C)C)ccc1C#N 1180257990 MXRDTKGCBPWFME-UHFFFAOYSA-N 324.443 4.707 30 20 DJED N#CC1(CN[C@@H](Cc2ccc(Cl)cc2)C2CCCCC2)CC1 1192594255 GQDKBGGBVVOUQQ-SFHVURJKSA-N 316.876 4.725 30 20 DJED C[C@@H]1/C(=C/c2ccc(N3CCCC3)cc2)C(=O)c2ccccc21 1324190830 WTODUJOQBBIIIF-CPOQMQJTSA-N 303.405 4.670 30 20 DJED CC[C@@H](OC(=O)c1cccc(CC#N)c1)C(C)(C)c1ccccc1 1360825517 KYFODRWETZJSIU-LJQANCHMSA-N 321.420 4.666 30 20 DJED C[C@H]1CCCC[C@@H]1CC(=O)N(c1cccc(C#N)c1)C1CCC1 1532438181 CDOJZEFOFGOEEO-DOTOQJQBSA-N 310.441 4.660 30 20 DJED C=C(Br)CN(CC)Cc1ccc2ccccc2c1 1559498737 WPVNWPASSKAPNE-UHFFFAOYSA-N 304.231 4.570 30 20 DJED CCN(C/C=C\c1ccc(F)cc1)[C@H](C)c1ccc(C#N)cc1 1621174315 VSCMRJVHSAWFMX-YIEVGGLXSA-N 308.400 4.794 30 20 DJED CN(c1snc(Cl)c1C#N)C1CCC(C(C)(C)C)CC1 1651438267 MNZQLKFNFALKJG-UHFFFAOYSA-N 311.882 4.709 30 20 DJED CCc1ccc([C@H]2CCCCCN2Cc2cccc(C#N)c2)o1 1652543931 WNTNSLMGWOJLTB-LJQANCHMSA-N 308.425 4.831 30 20 DJED C[C@@H](CCN(C)[C@H](C)c1cccc(C#N)c1)OCc1ccccc1 1654809229 LLUYXCDUZMGUPB-ZWKOTPCHSA-N 322.452 4.546 30 20 DJED Cc1cc(N[C@@H](C)Cc2ccc(Cl)cc2Cl)ncc1C#N 1655074565 HSQLXTVRIQFTGU-NSHDSACASA-N 320.223 4.612 30 20 DJED N#Cc1cccc(CN2CCCSc3cc(Cl)ccc32)c1 1659793067 LPIKGCXATJBEOK-UHFFFAOYSA-N 314.841 4.714 30 20 DJED Cc1ccccc1NC(=O)Nc1scc(C(C)(C)C)c1C#N 1662084962 VBQKOOBKMRZWMM-UHFFFAOYSA-N 313.426 4.870 30 20 DJED C=Cc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 1679933497 WSYQBAIRCXPDRG-UHFFFAOYSA-N 319.408 4.644 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc(C(=O)O)cc2Cl)c(C)c1 1776133043 MEZWBFGYKIPZDX-VURMDHGXSA-N 314.768 4.551 30 20 DJED C=CCOc1ccc(CN[C@@H]2CCc3c(Cl)cccc32)cc1 62258199 UGXGQXVBOUXNSF-LJQANCHMSA-N 313.828 4.682 30 20 DJED Cc1c(C(=O)Nc2ccc(C#N)c(Cl)c2)oc2c(C)cccc12 64681021 KWZIYPDDWJTQJE-UHFFFAOYSA-N 324.767 4.827 30 20 DJED CCC[C@@H](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N 108237843 RCYDZAUUHVMOKG-ZIAGYGMSSA-N 304.459 4.703 30 20 DJED Cc1ccsc1-c1nnc(S[C@H](C#N)C2CCCCC2)o1 115187938 PPWGOWIGYSOKJA-GFCCVEGCSA-N 319.455 4.671 30 20 DJED CCCCCCC[S@@](=O)Cc1coc(-c2cccc(F)c2)n1 133058216 RLLAYQZMFVUAPX-QFIPXVFZSA-N 323.433 4.700 30 20 DJED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)C(C)C 134809422 CRYITPSKAWMCNQ-UHFFFAOYSA-N 323.396 4.531 30 20 DJED CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2ccccc2C)c1 159631865 HFUAXKSZYBYJPE-AEFFLSMTSA-N 308.425 4.527 30 20 DJED N#Cc1cc(Cl)ccc1N[C@@H]1CCO[C@H](c2ccccc2)C1 160581296 OAIDBUBJZGBKNM-AEFFLSMTSA-N 312.800 4.544 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)C2(c3ccccc3)CCC2)n1 177777082 CMYQDRNGEVZFLG-OAHLLOKOSA-N 324.449 4.565 30 20 DJED Cc1cc(C#N)ccc1CN[C@H](C)c1cc2ccccc2s1 186329545 VBWASULIDUSVLY-CQSZACIVSA-N 306.434 4.932 30 20 DJED CCn1nc(C)c(/C=C\C(=O)c2ccc(CC(C)C)cc2)c1C 206847243 ZPLWRKPNJXICNN-QXMHVHEDSA-N 310.441 4.614 30 20 DJED CSc1ccc(C(=O)/C=C\c2cnn(C(C)C)c2)c(Cl)c1 255331529 PMOYAUUVBLVXBQ-DAXSKMNVSA-N 320.845 4.735 30 20 DJED C=CC[C@H](CC)NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 410124816 XWDCQGCDLYUODF-ZNMIVQPWSA-N 312.240 4.568 30 20 DJED CC(C)(C#N)CCn1c(COc2ccccc2)nc2ccccc21 410306657 NPCIUXLHMGDVKP-UHFFFAOYSA-N 319.408 4.555 30 20 DJED N#CC1(CCSCc2ncc(Cl)s2)CCCCC1 419458222 DNIVEIOQGIMBQH-UHFFFAOYSA-N 300.880 4.894 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1nc(C(C)(C)C)cs1 425539645 UDUYQYCUKULGEH-CYBMUJFWSA-N 313.470 4.505 30 20 DJED CN(Cc1ccccc1N[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 435052555 IJUHSPHDVLYKCQ-IEBWSBKVSA-N 319.452 4.817 30 20 DJED COc1cc(COc2ccc(C#N)c(Cl)c2)ccc1SC 438904100 XXKKVEHLIGXGNF-UHFFFAOYSA-N 319.813 4.521 30 20 DJED N#C[C@H]1CCC[C@H](Nc2cccc(-c3ccc4c(c3)CCO4)c2)C1 463238245 PPXMRBZIPJVSHK-KXBFYZLASA-N 318.420 4.783 30 20 DJED C=CC[C@H](CC)NC(=O)N(C)Cc1ccccc1-c1ccccc1 466323998 CPBCMYGNGMKTGG-IBGZPJMESA-N 322.452 4.850 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1ccccc1COCc1ccccc1 468115053 KEVCLDMLMHVPDA-NRFANRHFSA-N 323.436 4.944 30 20 DJED CSc1ccc(C)c(NC(=O)C[C@@H](CC#N)c2ccccc2)c1 476607044 QKCLNJGXEILGPW-MRXNPFEDSA-N 324.449 4.743 30 20 DJED C=CCCCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl 479515307 IQQFDHQJCSMVBB-NSHDSACASA-N 300.229 4.869 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc2ncsc2c1)c1ccccc1 488669560 USWKUNYCIKXIFI-OAHLLOKOSA-N 308.406 4.595 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1ccc(F)cc1OC(C)(C)C 488952494 JZYPDQUULWDWKX-AWEZNQCLSA-N 320.408 4.575 30 20 DJED N#CCCCCN[C@H](Cc1ccccc1Cl)c1cccs1 495041555 FMAKDMNNOZBLNU-MRXNPFEDSA-N 318.873 4.969 30 20 DJED C=CCC[C@@H](C(=O)NC1CC(c2ccccc2)C1)c1ccccc1 500954953 OOLZFVCIPANQGH-XVAXZDLZSA-N 319.448 4.799 30 20 DJED Cc1oc(-c2ccccc2)nc1CSCc1ccc(C#N)cc1 514531309 OUIVHIQIMIGDGY-UHFFFAOYSA-N 320.417 4.955 30 20 DJED N#CCCSc1ccccc1NCCCc1ccsc1 543029127 KXIQVMUPURZXJR-UHFFFAOYSA-N 302.468 4.799 30 20 DJED N#Cc1ccc(SCc2nc(C3CC3)cs2)c(Cl)c1 544076261 XWOZYRHTINTHBW-UHFFFAOYSA-N 306.843 4.838 30 20 DJED C=CCC1(C(=O)N2CCC[C@@](C)(c3ccccc3)CC2)CCC1 553195399 SBXCGZBKZZIQQT-HXUWFJFHSA-N 311.469 4.703 30 20 DJED N#C[C@@H]1CC[C@H](N2CCC(c3cccc4ccccc34)CC2)C1 555334594 YHNILAAOLCDHTJ-APWZRJJASA-N 304.437 4.711 30 20 DJED CCOc1ccc(Cl)cc1[C@@H](C)NCC(C)(C)CCC#N 562045724 NMHSXOQHMNUNPY-CYBMUJFWSA-N 308.853 4.719 30 20 DJED CCC[C@H](Nc1cc(C#N)ncn1)c1ccc(Cl)c(Cl)c1 562928983 WGJWGQNNDRLEMB-AWEZNQCLSA-N 321.211 4.608 30 20 DJED C=CCOc1ccc(C(=O)N(c2cc(C)ccc2C)C(C)C)cc1 588739580 TUBMGXOIKFNBML-UHFFFAOYSA-N 323.436 4.923 30 20 DJED CO[C@@H](CSCc1ccc(CC#N)cc1)c1ccc(F)cc1 600633570 AUPREFRNJIDMIA-SFHVURJKSA-N 315.413 4.513 30 20 DJED CCN(C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)[C@H](C)c1ccc(C#N)cc1 603528737 LHTQYJDMQQCZTQ-MNEFBYGVSA-N 324.468 4.706 30 20 DJED N#Cc1cnc(NCc2c(Cl)cccc2Cl)c(Cl)c1 608885398 OXUWPVQHOHDZLP-UHFFFAOYSA-N 312.587 4.526 30 20 DJED N#Cc1cccc(NC(=O)c2cccc(Nc3ccccc3)c2)c1 609819342 KGGKMDXBSJAHJF-UHFFFAOYSA-N 313.360 4.554 30 20 DJED N#Cc1ccc(CNc2ccc(F)cc2OC2CCCC2)cc1 610897135 MDRMYIPQRHAMBA-UHFFFAOYSA-N 310.372 4.631 30 20 DJED C=CCN(Cc1ccccc1)Cc1ncc(-c2ccccc2)o1 642098898 RDFGONNSWCZVGX-UHFFFAOYSA-N 304.393 4.530 30 20 DJED C=CCCCCCCN[C@H](C)c1ccc(Br)cn1 710113261 PGNINGQNBKGFAQ-CYBMUJFWSA-N 311.267 4.631 30 20 DJED CC(=NNc1ccc(Cl)c(Cl)c1)c1ccc(O)c(F)c1 728430229 OZGVWNDHLMQHFI-UHFFFAOYSA-N 313.159 4.674 30 20 DJED C=CCN(C(=S)Nc1c(Cl)ccc(C)c1Cl)C(C)C 728443224 DTRCIPNBZGUVHS-UHFFFAOYSA-N 317.285 4.895 30 20 DJED Cc1cccc2nc([C@@H](C#N)C(=O)[C@H]3CC[C@H](C(C)C)CC3)[nH]c12 753555850 RGJSIMQXLFRIAG-JYJNAYRXSA-N 323.440 4.510 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1cc(Cl)ccc1F 753717784 PPWMLXYNAKEWSI-YVMONPNESA-N 320.795 4.769 30 20 DJED CC(C)(c1noc(Cc2ccccc2CC#N)n1)C1CCCCC1 771586314 HHYBHJZESGZSLF-UHFFFAOYSA-N 323.440 4.584 30 20 DJED C#CCCCCC(=O)N(Cc1ccccc1)[C@H](C)c1ccccc1 773290176 FRTWFQPYVTYKGS-LJQANCHMSA-N 319.448 4.970 30 20 DJED CC(C)(C#N)CCOC(=O)C1(Sc2ccccc2)CCCC1 776386712 SKEJNIKNSNZYNA-UHFFFAOYSA-N 317.454 4.575 30 20 DJED CC(CC(C)(C)C#N)=NNc1ccnc2cc(Cl)ccc12 853258876 HFOCCUCBNCSCHO-UHFFFAOYSA-N 300.793 4.616 30 20 DJED N#CCCCCCC(=O)Nc1ccccc1NC1CCCCC1 913947112 RJNGNIJFLABQLE-UHFFFAOYSA-N 313.445 4.844 30 20 DJED CCOc1ccc(C(=O)/C=C\c2ccc(OC(F)F)cc2)cc1 916153212 FXUVJIBUPGKILJ-XGICHPGQSA-N 318.319 4.583 30 20 DJED CC(C)c1cccc(NC(=S)N[C@@H](C)c2ccc(C#N)cc2)c1 917575318 WNURXLRZNOXFGX-AWEZNQCLSA-N 323.465 4.729 30 20 DJED C=CCN(C(=O)N[C@H](c1ccc(CC)cc1)C(C)C)C(C)C 918058137 WPVOAYXBGLGZEO-SFHVURJKSA-N 302.462 4.552 30 20 DJED CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)[C@]2(C#N)CC23CCCC3)CC1 1128157342 QLUKVVVKXQYJHH-JXXFODFXSA-N 316.489 4.572 30 20 DJED Cc1cc(CNc2ccc3oc(C(C)(C)C)nc3c2)ccc1C#N 1177399890 QWKINBAXIPNVFX-UHFFFAOYSA-N 319.408 4.918 30 20 DJED CC(C)C[C@H]1CCC[C@H](NCc2ccc(C#N)c(Cl)c2)C1 1178561154 BTPSWUUNYJMNCH-PBHICJAKSA-N 304.865 4.906 30 20 DJED C[C@H](NCc1ccc(CC#N)cc1)C1(c2ccccc2)CCCC1 1193508625 QRDHOGXVOIOUHN-SFHVURJKSA-N 318.464 4.743 30 20 DJED CC(C)[C@@H](CC1CCCCC1)C(=O)Nc1cc(C#N)ccc1F 1275426423 XPPKEMVKEIVOKK-MRXNPFEDSA-N 316.420 4.878 30 20 DJED CCNc1ccc(C#N)cc1NC(=O)[C@@H](C)CC1CCCCC1 1295029726 MRBQMFINHYYIFQ-AWEZNQCLSA-N 313.445 4.535 30 20 DJED CC(C)(C#N)CCCCSCc1cn2cc(Cl)ccc2n1 1320794168 CVYOEGSKEZLPFI-UHFFFAOYSA-N 321.877 4.941 30 20 DJED CCC[C@H](CC)C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 1435263814 DKZAASQZJSAAEJ-HNNXBMFYSA-N 323.396 4.510 30 20 DJED Cc1ccc(C2(C(=O)Nc3ccc(C#N)cc3Cl)CCC2)cc1 1435513465 NGOKMQQVKJILNQ-UHFFFAOYSA-N 324.811 4.581 30 20 DJED Cc1ccc(-c2cccc(CNc3snc(C)c3C#N)c2)cc1 1458257281 AEPCHCMLJUZIDU-UHFFFAOYSA-N 319.433 4.911 30 20 DJED N#Cc1nc(N2CCC[C@H]2CCC2CCCCC2)ccc1Cl 1472729377 LBAILTNZCWRZMR-HNNXBMFYSA-N 317.864 4.936 30 20 DJED N#CC[C@@H](C(=O)NC1CCC2(CCCCC2)CC1)c1ccccc1 1538638375 VVLIDVHPRBIJDU-LJQANCHMSA-N 324.468 4.693 30 20 DJED CC(C)C[C@@H](C(=O)NCC(C)(C)CC#N)c1ccc(Cl)cc1 1583480388 OJDNTOQJZZSDMZ-MRXNPFEDSA-N 320.864 4.526 30 20 DJED CCC[C@@H](Nc1cc(C#N)cnn1)c1ccc(Cl)c(Cl)c1 1612014286 LJDGMUNBIRVAJG-CQSZACIVSA-N 321.211 4.608 30 20 DJED Cc1cc(N[C@@H](C)CC(C)C)n2c(nc3ccccc32)c1C#N 1612167655 KPJSWTBIRQLUKC-AWEZNQCLSA-N 306.413 4.514 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1cc2ccc(C(C)C)cc2[nH]1 1629317665 UXMZHMFSYXMZMK-UHFFFAOYSA-N 317.392 4.724 30 20 DJED CCN(c1ccc(Nc2nc(C#N)c(Cl)s2)cc1)C(C)C 1642036805 YBNSVORVMNPKBF-UHFFFAOYSA-N 320.849 4.646 30 20 DJED C=C(Cl)CN(C)[C@@H](C)c1sc(-c2ccccc2)nc1C 1642268771 LAPOGBMQKQNAIY-ZDUSSCGKSA-N 306.862 4.864 30 20 DJED Cc1nc(NCCc2ccc3ccccc3c2)c(Cl)cc1C#N 1650617487 MKJDSBXLMNNOAS-UHFFFAOYSA-N 321.811 4.723 30 20 DJED CC(C)c1ccc(OC2CCN(C[C@@H](C)CCC#N)CC2)cc1 1658339941 ZDOOBSAXMQDOLS-KRWDZBQOSA-N 314.473 4.593 30 20 DJED C[C@H]1CCC[C@@H](Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 1662563739 RWWCLNZHYWRXPP-GOEBONIOSA-N 307.397 4.736 30 20 DJED C=CCN(Cc1ccccc1)C(=O)c1cc2cc(Cl)ccc2[nH]1 24500701 VIQRPGIGJANWLO-UHFFFAOYSA-N 324.811 4.650 30 20 DJED N#CC1(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CCCCC1 72029884 SPWVUIDZXRVERR-UHFFFAOYSA-N 316.404 4.670 30 20 DJED C=CCC[C@@H](NC(=O)N(C)Cc1ccsc1)c1ccccc1 160491865 HQDVUJLLZYGKPN-QGZVFWFLSA-N 314.454 4.597 30 20 DJED CC(C)(C)c1cc(NC(=O)c2ccc(Cl)s2)c(C#N)s1 179550862 PRBKJVOXVUKRAD-UHFFFAOYSA-N 324.858 4.884 30 20 DJED C[C@H](N[C@H](CCC#N)c1ccccc1)c1cc(Cl)ccc1O 186150536 DYZPIVZBYQJUSW-SUMWQHHRSA-N 314.816 4.741 30 20 DJED CCN(C)c1ccc([C@@H](C)N[C@H](CCC#N)c2ccccc2)cc1 246322043 FKZWATYULGIXBI-DYESRHJHSA-N 321.468 4.838 30 20 DJED N#CCC[C@H](N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 249206439 WCEVBJFKEQVECO-OAGGEKHMSA-N 310.363 4.742 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C/c3ccccc3Cl)c2c1 303609040 LBBWVGVSPYQZMI-RMKNXTFCSA-N 311.768 4.726 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C 303916085 VEZDINXVODKUML-VCBZYWHSSA-N 308.400 4.636 30 20 DJED C[C@@H]1CC(O)=N[C@H](/C(O)=N/CC2CCC(C(C)(C)C)CC2)C1 328911624 GNHALNWIKRSOCH-PPWQZUPISA-N 308.466 4.550 30 20 DJED C[C@H](NCc1cncs1)c1ccc(-c2cccc(C#N)c2)cc1 374696666 YMMSOAPHXHHMHZ-AWEZNQCLSA-N 319.433 4.533 30 20 DJED N#Cc1ccc(NCc2cc3ccccc3o2)c(C(F)(F)F)c1 390602036 JUNIFESXRAZYDJ-UHFFFAOYSA-N 316.282 4.935 30 20 DJED Cc1cc(NCC#Cc2ccc(F)cc2)ccc1-c1ccncc1 427418188 ALLSGPCOZLRBBU-UHFFFAOYSA-N 316.379 4.660 30 20 DJED CC[C@@H](NCc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 447509614 GHGXTCQVCYBMFG-QGZVFWFLSA-N 318.342 4.818 30 20 DJED C[C@H]1CCC[C@@H](CC(=O)Nc2ccc(CC#N)cc2Cl)C1 452653303 ZLHDZLGSRHQJQS-GXTWGEPZSA-N 304.821 4.561 30 20 DJED N#CCCCC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 462021554 AYLCEJAKNLPVFP-UHFFFAOYSA-N 314.772 4.765 30 20 DJED CCc1cc(C)cc(CC)c1NC(=O)[C@H](C)c1cccc(C#N)c1 464488937 DADRMPZMMVOKJW-OAHLLOKOSA-N 320.436 4.734 30 20 DJED C[C@@H](Nc1ncc(C#N)cc1Cl)c1cc2cccc(F)c2o1 473910405 GEMBYUZXWNUSIA-SECBINFHSA-N 315.735 4.665 30 20 DJED CCCC1CCC(NC(=O)C[C@H](CC#N)c2ccccc2)CC1 475123124 WRQAUTURDIKWCY-AVAKVYKDSA-N 312.457 4.549 30 20 DJED C=CCCC(=O)N1CCCCC[C@H]1Cc1ccccc1Cl 508442871 DIPUIEPPWHHGEH-INIZCTEOSA-N 305.849 4.620 30 20 DJED C=CCC[C@H](NCc1cccc(CN2CCCC2)c1)c1ccco1 514087320 GOBAHFUTMCXWMK-FQEVSTJZSA-N 324.468 4.673 30 20 DJED Cc1ccc(CN[C@H](C)c2ccc(C#N)cc2)c(OC(C)(C)C)c1 538395451 CHUIIJOTGMNNOS-MRXNPFEDSA-N 322.452 4.895 30 20 DJED C[C@H](NC(=O)CC(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 543896810 GBBZKEHIKDDEGP-HNNXBMFYSA-N 320.436 4.839 30 20 DJED CC[C@@H](CC#N)NC(=O)c1ccc(Sc2ccccc2C)cc1 545153166 DHRQLCWQYHXPJG-INIZCTEOSA-N 324.449 4.568 30 20 DJED COc1ccc2oc([C@@H](C)N[C@H](C#N)c3ccccc3)c(C)c2c1 595429118 LRDJXGZJGQZADY-RDTXWAMCSA-N 320.392 4.665 30 20 DJED C[C@H](NC(=O)Nc1cccc(C#N)c1)c1cccc2ccccc12 603645853 UNBYSJACGHIROH-AWEZNQCLSA-N 315.376 4.594 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCC[C@@H](F)C1 646375843 YQCVHSPKDHSUDD-HZPDHXFCSA-N 318.436 4.941 30 20 DJED CCc1oc2ccccc2c1C=NNc1cccc([N+](=O)[O-])c1C 727973620 TWODDLIZMRINMB-UHFFFAOYSA-N 323.352 4.658 30 20 DJED C#Cc1cccc(N(CC)C(=S)Nc2c(C)cccc2C)c1 728447403 AEGVVWNXUCHZGO-UHFFFAOYSA-N 308.450 4.508 30 20 DJED CCCCCCCCCC(=O)Nc1cccc([S@](C)=O)c1 732122861 KBFRDJSYOSAUHG-NRFANRHFSA-N 309.475 4.503 30 20 DJED O=C1/C(=C\c2ccccc2F)CCOc2c(Cl)cccc21 733748839 KRQFQPDMCAQORA-BENRWUELSA-N 302.732 4.528 30 20 DJED C#CCOc1ccc(CN[C@@H](CC)c2ccc(Cl)s2)cc1 734003706 WCDSCNZFWMRKMH-HNNXBMFYSA-N 319.857 4.654 30 20 DJED O=C(/C=C\c1ccc(-c2ccccc2)cc1)c1cncc(F)c1 737445814 GJTCIIRWCDZYPF-FLIBITNWSA-N 303.336 4.784 30 20 DJED C#CCCCNC(=O)c1sc2cc(C(C)C)ccc2c1Cl 742784279 JTUASCLSUWVEKD-UHFFFAOYSA-N 319.857 4.821 30 20 DJED O=C(/C=C/c1ccc(Cl)nc1)c1ccc(Cl)cc1Cl 748994835 SZQHUFJUQISDMX-ORCRQEGFSA-N 312.583 4.938 30 20 DJED O=C(/C=C\C1=Cc2ccccc2OC1)c1cc2ccccc2o1 749358947 WQOWAGVEJNHESG-KTKRTIGZSA-N 302.329 4.648 30 20 DJED CC(C)CC(=NNc1ncc(Cl)cc1Cl)c1ccccn1 760235286 XILYOZCYARRWSZ-UHFFFAOYSA-N 323.227 4.646 30 20 DJED C[C@@H](NN=Cc1ccc(F)c(Cl)c1Cl)c1ccccc1 761801847 YXMUCEQMIGAUSS-SNVBAGLBSA-N 311.187 4.817 30 20 DJED C#CCOc1ccc([C@@H](C)N[C@@H](C)c2cccc(OCC)c2)cc1 765455568 DKFXDFOSBNDATL-SJORKVTESA-N 323.436 4.509 30 20 DJED COc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1OC1CCCC1 765921952 UFYHZRSABRFQGA-HUUCEWRRSA-N 314.429 4.511 30 20 DJED CCCCCCCC[C@@H](C)Cc1nc(-c2ccc(O)nc2)no1 771186985 MVSYNGUSELDVOV-CQSZACIVSA-N 317.433 4.766 30 20 DJED Cc1ccccc1[C@@H](NCc1ccc(OCC#N)cc1)C(C)(C)C 775465560 XVGGDQVJVPXWQQ-HXUWFJFHSA-N 322.452 4.774 30 20 DJED O=C(/C=C\c1ccc(C(F)(F)F)cc1)c1cccc(F)c1F 776268767 VDMFFOPAVCLVOW-TWGQIWQCSA-N 312.237 4.880 30 20 DJED C[C@H](C#N)OCCS[C@H](c1ccccc1)c1ccc(F)cc1 801661795 SNBKTFNNZHSSQE-RDTXWAMCSA-N 315.413 4.577 30 20 DJED CCOc1ccccc1[C@H](CC)Nc1nc(Cl)c(C#N)s1 804404025 DLLYUOQMLDRRFL-NSHDSACASA-N 321.833 4.630 30 20 DJED O=C(/C=C/c1cscc1C(F)(F)F)c1cc(F)ccc1F 811687546 HALZCIZZTWMUDB-DAFODLJHSA-N 318.266 4.941 30 20 DJED CC(=NN=C1c2ccccc2-c2ccccc21)c1csc(C)n1 812455037 VPSOPDBBSIXQPP-UHFFFAOYSA-N 317.417 4.694 30 20 DJED CC(C)CN(CCC#N)C(=O)c1cc2cc(Cl)ccc2s1 824234715 PVIFCRLSYOQEKA-UHFFFAOYSA-N 320.845 4.567 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)n1 835200731 OHRUDRJLDOECDQ-AAVRWANBSA-N 304.459 4.515 30 20 DJED C=CC[C@H](Cc1ccccc1)NC(=S)Nc1c(C)cccc1C 840867255 PAXSRFGJRNBRKP-GOSISDBHSA-N 324.493 4.777 30 20 DJED CC(C)=CC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 914520915 QSBRFZHUAUSTQU-UHFFFAOYSA-N 322.383 4.505 30 20 DJED CCCCCCCCC(=O)Nc1ccccc1-c1noc(C)n1 915867051 XOOMHBCPUPZOAN-UHFFFAOYSA-N 315.417 4.734 30 20 DJED CC(=NNc1nccc2sccc12)c1cc2ccccc2o1 915980257 RJLNOZHUCTZYGP-UHFFFAOYSA-N 307.378 4.879 30 20 DJED Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=NNc1ccccc1 917530746 YZTZZJQMXUBLSW-UHFFFAOYSA-N 324.815 4.589 30 20 DJED N#Cc1cccc(C(=O)/C=C\c2ccccc2OC2CCCC2)c1 920069317 XWHGDPXOJBMMKG-SEYXRHQNSA-N 317.388 4.776 30 20 DJED N#Cc1ccc(F)c(C(=O)Nc2ccccc2-c2ccccc2)c1 1124203986 UAAYVRBCFYVJLQ-UHFFFAOYSA-N 316.335 4.617 30 20 DJED Cc1cc(C#N)cc(NC(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 1129685845 RKHLUIIWUHHXJJ-TZMCWYRMSA-N 324.346 4.564 30 20 DJED CCN(C[C@H](C)C#N)C(=O)[C@@H]1CC12CCC(C(C)(C)CC)CC2 1141768262 OBMBAEQETUHGEV-YJBCQJRQSA-N 318.505 4.627 30 20 DJED C[C@@H](Sc1ccc(C#N)cn1)c1cccc(C(F)(F)F)c1 1163801644 JSQIUCCGNNVANH-SNVBAGLBSA-N 308.328 4.825 30 20 DJED CC(C)c1ccc(C(=O)CSc2cccc(F)c2C#N)cc1 1166247511 URNGMIQREDJJET-UHFFFAOYSA-N 313.397 4.796 30 20 DJED CC1(C)CN(Cc2ccc(C#N)cc2F)c2cccc(Cl)c21 1180758928 NMVPPJAUBHYVOR-UHFFFAOYSA-N 314.791 4.649 30 20 DJED N#Cc1cc(CN2CC3(CCCC3)c3cccc(F)c32)ccc1F 1193364898 PHEOFCODWXKOAP-UHFFFAOYSA-N 324.374 4.668 30 20 DJED CCCC[C@H](CC)CC(=O)Nc1cc(C#N)ccc1NCCC 1293651771 XMBCRGCJXDGZJU-HNNXBMFYSA-N 315.461 4.925 30 20 DJED COc1c(Oc2nc(C)c(C#N)cc2Cl)ccc2ccccc12 1307122806 DBIKVEOZVFMJLO-UHFFFAOYSA-N 324.767 4.869 30 20 DJED C[C@@H]1CCN(Cc2ccc(C#N)s2)c2ccccc2S1 1307538018 AIVDGYWNLRYXNT-GFCCVEGCSA-N 300.452 4.511 30 20 DJED C[C@@H](C#N)CN(C)Cc1ccc(-c2cc(Cl)ccc2Cl)o1 1323291428 TVFFKEYFDZGJBV-NSHDSACASA-N 323.223 4.845 30 20 DJED CCCCOc1ccc([C@H](C)Nc2ccc(OCC#N)cc2)cc1 1323393743 ZRYPTODMAQYWDC-INIZCTEOSA-N 324.424 4.941 30 20 DJED C=C[C@@H](CC(=O)NCc1cccc(C(F)F)c1)c1ccccc1 1324297469 JIGPWTHODFDCFN-HNNXBMFYSA-N 315.363 4.600 30 20 DJED CN(C(=O)c1ccc(-c2cccs2)s1)c1ccccc1C#N 1337613630 ZWQHOXDICKWUDL-UHFFFAOYSA-N 324.430 4.625 30 20 DJED C[C@H](OC(=O)[C@H](C)CCCc1ccccc1)c1cccc(C#N)c1 1435509206 YGZFHVRYIXMSDX-SJORKVTESA-N 321.420 4.821 30 20 DJED CCCC[C@H](CC)CC(=O)Nc1cc(C#N)ccc1NC1CC1 1448356112 KJRNIBUMISNIET-AWEZNQCLSA-N 313.445 4.678 30 20 DJED C[C@H]1[C@H](Cc2ccccc2)CCN1CCC1(C#N)CCCCC1 1459631128 KMCZNGKPDYKIPL-ICSRJNTNSA-N 310.485 4.804 30 20 DJED Cc1ccc([C@H]2C[C@H](C)N(Cc3ccc(C#N)cc3C)C2)cc1 1460026998 DBKAEGADWPJWNI-UWJYYQICSA-N 304.437 4.553 30 20 DJED CCc1ccc(CN(CC(C)C)C(=O)C(C#N)(CC)CC)cc1 1526406735 POUPRWCDWVUVJQ-UHFFFAOYSA-N 314.473 4.564 30 20 DJED C[C@@H](CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C1CCCCC1 1529667410 YJZGPFCUZCXIGN-HOTGVXAUSA-N 312.457 4.684 30 20 DJED CC(C)N(C(=O)CC1(C#N)CCCCC1)[C@H](C)c1ccccc1 1534762512 KKTJXQMBGLWPQM-QGZVFWFLSA-N 312.457 4.849 30 20 DJED CCCC1(CNc2c(Br)cccc2C#N)CCC1 1559138845 BORJHCBZEQAREI-UHFFFAOYSA-N 307.235 4.703 30 20 DJED Cc1cc(SC2CCCC2)n2c(nc3ccccc32)c1C#N 1641975447 DNLTTWARHTWGHW-UHFFFAOYSA-N 307.422 4.702 30 20 DJED CCC1(CC)CCN(Cc2cc(Cl)ccc2OCC#N)CC1 1653331810 YISIPBNZMMGMLR-UHFFFAOYSA-N 320.864 4.645 30 20 DJED Cc1ccc([C@@H]2[C@H](C)CCCN2Cc2cccc(F)c2C#N)cc1 1658339231 OSDBPNPEHIXKTH-IERDGZPVSA-N 322.427 4.979 30 20 DJED C[C@@H](Cc1ccc(-c2ccccc2)cc1)NCC1(CC#N)CC1 1659634243 XXLMZRAMWJOLNX-KRWDZBQOSA-N 304.437 4.568 30 20 DJED Cc1ccc(C=NN[C@H](C)c2ccc(C(C)C)cc2)cc1C(=O)O 1776105922 JEEQIGLRCGFZEO-OAHLLOKOSA-N 324.424 4.501 30 20 DJED C#Cc1cccc(NC(=O)c2cc(C)n(C3CCCCC3)c2C)c1 25614076 UXPGOSMOOGJVTP-UHFFFAOYSA-N 320.436 4.844 30 20 DJED C=CCOc1cccc(NC(=O)c2ccc3ccccc3c2)c1 65749269 GOIHISPVHNXPQX-UHFFFAOYSA-N 303.361 4.657 30 20 DJED N#C[C@@H](C(=O)c1cccs1)c1nc2cc(Cl)ccc2s1 76606560 FFNJISNLOCCLRO-VIFPVBQESA-N 318.810 4.501 30 20 DJED Cc1cccc(N[C@H](C)c2ccc(C#N)cc2)c1Br 131013421 FVXZZKPPGCCWCR-GFCCVEGCSA-N 315.214 4.802 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc2ncccc2c1 154374131 AAAJLLVCFCRWBV-UHFFFAOYSA-N 315.420 4.517 30 20 DJED C[C@@H](SCCCC(C)(C)C#N)c1nc(-c2cccs2)no1 161501669 IHEAAVDHYXASPH-LLVKDONJSA-N 321.471 4.922 30 20 DJED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H](C)CC1CCCCC1 182160511 NIUYCKMGEKQBFT-GJZGRUSLSA-N 314.429 4.522 30 20 DJED CC(C)(C)Oc1c(F)cc(N[C@@H]2CCC[C@H](C#N)C2)cc1F 185896256 SPNUOSQKCSOAEQ-NWDGAFQWSA-N 308.372 4.636 30 20 DJED Cc1ccc(-c2cncc(C(=O)OCC(C)(C)CCC#N)c2)cc1 195055968 DWYSMHQBSFWTIG-UHFFFAOYSA-N 322.408 4.544 30 20 DJED Cc1c(NCCC(C)(C)C#N)cccc1NC(=O)c1ccccc1 288763142 SQWCOCPRSRHQFB-UHFFFAOYSA-N 321.424 4.599 30 20 DJED CC(C)(C)OCc1cccc(CNc2cccc(F)c2C#N)c1 301191413 SBHSZCFPWNENNL-UHFFFAOYSA-N 312.388 4.625 30 20 DJED C[C@H]1CCC[C@@]1(C)C(=O)Nc1ccccc1SC[C@H](C)C#N 410457028 IRFMAQCIOYNFBM-QWQRMKEZSA-N 316.470 4.703 30 20 DJED CCCN(Cc1ccc(C#N)cc1)[C@@H](C)c1nc2ccccc2o1 411170464 XDMBXYLDGIUJIE-HNNXBMFYSA-N 319.408 4.673 30 20 DJED CCc1cccc(C)c1NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425629648 YQYUVGWHEPGEOT-HNNXBMFYSA-N 321.424 4.654 30 20 DJED COc1ccc(C#N)cc1NCc1csc(Cl)c1Cl 432917863 MODOOWOPBSDXNE-UHFFFAOYSA-N 313.209 4.547 30 20 DJED C[C@@H]1CCC[C@H](OCc2cccc(N[C@H]3CC[C@H](C#N)C3)c2)C1 442866365 IHADDKVVOGTTNE-LPWQTFTOSA-N 312.457 4.886 30 20 DJED N#Cc1ccc(-c2nc(-c3ccc(Cl)cc3Cl)no2)cc1 445456345 UFWQKNBGIBLSEM-UHFFFAOYSA-N 316.147 4.582 30 20 DJED CC[C@@H](CC(=O)N(CCC#N)C(C)(C)CC)c1ccccc1 471177253 OXANKKMSFDNVLC-INIZCTEOSA-N 300.446 4.501 30 20 DJED Cc1c(Cl)cccc1-n1ccnc1SCCCCC#N 475748618 PAPGNLDINYSFDV-UHFFFAOYSA-N 305.834 4.620 30 20 DJED CC(C)(C#N)c1ccccc1CN1CC[C@H](c2ccc(F)cc2)C1 483098217 CBHICXBEEWWXPB-KRWDZBQOSA-N 322.427 4.616 30 20 DJED C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 488877999 HYJJFJBESCCPCP-MRVWCRGKSA-N 324.251 4.664 30 20 DJED CC[C@@H](CC(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 494637789 QJOUQNIOFOIGSZ-AWEZNQCLSA-N 312.800 4.734 30 20 DJED Cc1csc(NC(=O)c2cc3c(s2)CCCCC3)c1C#N 519028968 QANQSFWPHBWRMM-UHFFFAOYSA-N 316.451 4.511 30 20 DJED C=CCCC[C@H](C)NC(=O)Nc1ccccc1N1CCCCC1 540538473 UCEDPQRPHOBJNN-INIZCTEOSA-N 315.461 4.543 30 20 DJED Cc1cc(C)c(NCCCC(C)(C)C#N)cc1Br 548598174 ZWVOWMUDBHAQGA-UHFFFAOYSA-N 309.251 4.808 30 20 DJED Cc1ccc(C)c([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c1 574183506 JSABRUBUPJWFHM-KKSFZXQISA-N 304.437 4.903 30 20 DJED C[C@@H](Nc1ccc2c(c1)C(=O)CCCC2)c1cccc(C#N)c1 576505096 XFCNSSHTHSVCRC-CQSZACIVSA-N 304.393 4.640 30 20 DJED Cc1ccc(C[C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)s1 611393643 YQBYJRPXJXMOFB-ORAYPTAESA-N 310.466 4.526 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCSc2ccc(F)cc21 618802755 KVEHKHJEJBXPMK-MSOLQXFVSA-N 324.424 4.511 30 20 DJED CC[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)C1CCCCC1 619433478 HSOIIOMOMZQAGO-RTBURBONSA-N 312.457 4.549 30 20 DJED C=CC[C@@H]1CCCN(C(=O)Nc2cc(OCC)ccc2Cl)C1 667176918 ITBVSTRJUFLWDQ-CYBMUJFWSA-N 322.836 4.559 30 20 DJED N#CCC[C@@H](C#N)CNc1ccc(OC2CCCC2)c(Cl)c1 732918460 FQDIAIHLAJYXGQ-ZDUSSCGKSA-N 317.820 4.517 30 20 DJED CC(C)CC(=NNc1nccnc1Cl)c1ccc(Cl)cc1 740762671 BKZFFPBWTAKPKW-UHFFFAOYSA-N 323.227 4.646 30 20 DJED Cc1cc(F)ccc1C(=O)/C=C\c1ccc(OCC(F)F)cc1 741840934 HNDXJHDSRROBOH-WTKPLQERSA-N 320.310 4.674 30 20 DJED COCc1cccc(/C=C2\COc3ccc(C(C)C)cc3C2=O)c1 742433408 WJJOPLFFRJVXMK-VCHYOVAHSA-N 322.404 4.615 30 20 DJED CC(C)n1cc(C(=O)/C=C\c2ccc(-c3ccc(F)cc3)o2)cn1 746687197 RJSVXQGXELVVPS-CLFYSBASSA-N 324.355 4.759 30 20 DJED COc1cc(C(C)=NNc2ccc(C)cc2)ccc1SC 747602280 KXMKQCPMEUDXRW-UHFFFAOYSA-N 300.427 4.562 30 20 DJED Cc1ccc(-c2nc(/C=C3\Cc4cc(F)ccc4C3=O)co2)cc1 749893326 GLNMPGWTUYAAJQ-XNTDXEJSSA-N 319.335 4.612 30 20 DJED CCc1ccc(C(=O)/C=C\c2csc(Br)c2)o1 752238027 NQGQWNORXPTOJC-HYXAFXHYSA-N 311.200 4.562 30 20 DJED Cc1c(C#N)cccc1NC(=S)Nc1cccc(C(C)C)c1 769794518 FIIZZOOSBVJIGI-UHFFFAOYSA-N 309.438 4.799 30 20 DJED CC(CCCC(F)(F)F)=NNc1nc2ccccc2s1 774313671 UWEMYJMFJCPVAL-UHFFFAOYSA-N 301.337 4.817 30 20 DJED Cc1nc(C2CCCCC2)sc1C(=O)O[C@H](C)C(C)(C)C#N 775265578 RLEXVKGXWVZYGE-GFCCVEGCSA-N 320.458 4.594 30 20 DJED O=C(/C=C/c1ccc(-c2c(F)cccc2F)o1)c1cscn1 776193185 PCQTYJKCHHDAFD-GQCTYLIASA-N 317.316 4.577 30 20 DJED C#CCCCCC(=O)Nc1nc2c(ccc3ccccc32)s1 776305786 PGLHQCFVRBNQQA-UHFFFAOYSA-N 308.406 4.582 30 20 DJED C#CCCCCC(=O)N1C[C@@H](C)CSc2ccc(Cl)cc21 776366302 XKMNIIYJABRDHN-CYBMUJFWSA-N 321.873 4.608 30 20 DJED CC(C)(C)[C@@](C)(C#N)NC(=O)c1sc2ccccc2c1Cl 779464264 OSUUEFWBVCBKOQ-MRXNPFEDSA-N 320.845 4.613 30 20 DJED C=CCCN(C)C(=O)N[C@H](c1ccccc1)C1CCCCC1 786107669 UVUYXEUWXOSKIJ-GOSISDBHSA-N 300.446 4.526 30 20 DJED CSc1ccccc1[C@H](C)Nc1snc(Cl)c1C#N 799326904 JADWLZRMQSBLGB-QMMMGPOBSA-N 309.847 4.563 30 20 DJED C[C@H]1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)c2ccccc21 809159519 QVKYGPUNGYFSST-DOQDJBIESA-N 313.740 4.632 30 20 DJED CC(=NN[C@H](C)c1ccncc1)[C@H](C)c1nc2ccccc2s1 819816856 QPRQDDBXGBORLR-GXTWGEPZSA-N 324.453 4.522 30 20 DJED Cc1cc(F)ccc1[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 841763410 XMEKZYCWERSVPU-VLIAUNLRSA-N 308.400 4.734 30 20 DJED CCCCCCCCCC(=O)N1CCC[C@@H]1[C@H]1CCCOC1 843922208 AWLLMLBJKAWQKT-ZWKOTPCHSA-N 309.494 4.545 30 20 DJED C#Cc1cccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)c1 844256987 HDPTXEFXOBGFIZ-UHFFFAOYSA-N 321.232 4.784 30 20 DJED CC[C@H]1c2ccccc2CN1C(=O)C[C@@H](CC#N)c1ccccc1 890613544 FPCNJCKRLVQJMS-XLIONFOSSA-N 318.420 4.567 30 20 DJED N#CC1(CCCC[S@](=O)c2ccc3ccccc3c2)CCC1 899274722 BFHTYISKFWUQDW-QFIPXVFZSA-N 311.450 4.812 30 20 DJED C=CC(C)(C)c1nc(-c2ccccc2OCc2ccccc2)no1 904465139 QQKINGZHHWODBI-UHFFFAOYSA-N 320.392 4.779 30 20 DJED COc1cccc(NN=C(C)c2sc(C(C)(C)C)nc2C)c1 915111242 DHIUQBCWSYDPDB-UHFFFAOYSA-N 317.458 4.594 30 20 DJED N#Cc1ccc(NN=Cc2c(Cl)ccc(Cl)c2Cl)cc1 915961939 HGXYTHWKEHSFKS-UHFFFAOYSA-N 324.598 4.964 30 20 DJED CC(CCc1ccc(F)cc1)=NNc1ccc2ccccc2n1 917532196 NKMXHOAZHPPDCM-UHFFFAOYSA-N 307.372 4.795 30 20 DJED CC(C)(C)c1n[nH]cc1/C=C\C(=O)c1cc(Cl)ccc1Cl 920062934 HTQKOBIZMYKKOR-DAXSKMNVSA-N 323.223 4.910 30 20 DJED C[C@@H](Nc1nc(C#N)c(Cl)s1)c1ccc(Cl)s1 1162921809 LAUXVCIRLHWNGF-RXMQYKEDSA-N 304.227 4.556 30 20 DJED C[C@@H](NCCC1(C#N)CCCCC1)c1ccccc1OC(F)F 1168677888 QASBVZPGAFBGJU-CQSZACIVSA-N 322.399 4.803 30 20 DJED CC(C)(C#N)c1ccccc1CN[C@]1(c2ccccc2)CC1(C)C 1307960912 AAICWHXWMUWZLM-QFIPXVFZSA-N 318.464 4.903 30 20 DJED C[C@@H](/N=C/c1cc(Cl)ccc1O)c1nc(C(C)(C)C)cs1 1318332963 GNRPHIKLXNRYET-NCMFSIOGSA-N 322.861 4.980 30 20 DJED C[C@@H](NCCCCC1(C#N)CCC1)c1nc2ccccc2s1 1334770385 CYVNJNLAWFRTEZ-CQSZACIVSA-N 313.470 4.811 30 20 DJED O=C(O)c1ccc(-c2ccc(/C=C\C(=O)c3ccccc3)o2)cc1 1338652700 DPCCTTQHTRLWMR-BENRWUELSA-N 318.328 4.541 30 20 DJED C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCC(C)(C)C3)c2C#N)C1 1348101837 ZXEAATRUEYRKOA-NEPJUHHUSA-N 316.470 4.509 30 20 DJED N#Cc1cc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)ccc1Cl 1352797587 KKAXKGNTXUMZMD-MGPQQGTHSA-N 316.832 4.757 30 20 DJED Cc1c(Cl)cc(NC(=O)c2cccc(C#N)c2C)cc1Cl 1356442182 CGWYGAPGDUOXOY-UHFFFAOYSA-N 319.191 4.734 30 20 DJED Cc1cc(OCC(=O)c2sc3ccccc3c2C)ccc1C#N 1459064585 SQMKELPZMSBTOP-UHFFFAOYSA-N 321.401 4.652 30 20 DJED C=C(Br)CN(C)[C@H]1CCCC[C@H]1c1ccccc1 1460246448 LDBFLBWRBNZPFN-HOTGVXAUSA-N 308.263 4.553 30 20 DJED CCC1(CC)CN(Cc2ccc(CC#N)cc2)c2ccccc21 1473297181 WNFWHDUNBBVXGK-UHFFFAOYSA-N 304.437 4.831 30 20 DJED CCc1ccc([C@H](C)CC(=O)OCc2ccc(CC#N)cc2)cc1 1520640160 HXKOFCDFWASBFH-MRXNPFEDSA-N 321.420 4.552 30 20 DJED Cc1ccc2sc(C(=O)O[C@H](C)c3ccc(C#N)cc3)cc2c1 1533619240 NEMFXZMWXSGZBJ-CYBMUJFWSA-N 321.401 4.999 30 20 DJED N#Cc1c(NC(=O)CCC2CCC2)sc2c1CCCCCC2 1534348779 YKDWQGRKSAITTG-UHFFFAOYSA-N 316.470 4.798 30 20 DJED CCc1c(C)sc(NC(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1C#N 1536890088 SIIIFAVRDOHYSJ-PJXYFTJBSA-N 304.459 4.501 30 20 DJED CC(C)CCN(CCC(C)C)C(=O)Nc1ccc(F)cc1C#N 1562449607 KVCIKEZNKWIKRG-UHFFFAOYSA-N 319.424 4.623 30 20 DJED CC(C)CN(CCSc1ccccc1)c1ccc(C#N)cc1 1616013692 MTPRQGIGQNCEDF-UHFFFAOYSA-N 310.466 4.813 30 20 DJED Cc1ccc([C@H]2CCCCN2c2nc(C#N)c(Cl)s2)cc1 1639543705 LWBBRBBZJNQHBO-CQSZACIVSA-N 317.845 4.708 30 20 DJED CC(C)(C)[C@@H](Nc1ncc(C#N)cc1Cl)c1cccc(F)c1 1642445990 XNTGSNDGEGYDFC-HNNXBMFYSA-N 317.795 4.945 30 20 DJED N#Cc1ccc(N[C@@H]2CCc3ccc(-c4ccccc4)cc32)nc1 1642605172 SUWOEBIYWWUJAD-HXUWFJFHSA-N 311.388 4.720 30 20 DJED C[C@@H](CCC#N)CN(Cc1cc(F)ccc1F)C1CCCC1 1658438230 PQARPJSONZJJIV-AWEZNQCLSA-N 306.400 4.649 30 20 DJED N#Cc1ccccc1-c1ccc(CN2C[C@H]3CCCC[C@H]3C2)cc1 1658685826 SNIQDSDEVMGECW-OYRHEFFESA-N 316.448 4.847 30 20 DJED O=C(O)c1ccccc1NN=C1CCC[C@@H](C2CCCCC2)C1 1776032049 KJQRUGRHOZJWGK-OAHLLOKOSA-N 314.429 4.923 30 20 DJED CC(C)c1cccc(C(=O)/C=C/c2ccc(C(=O)O)c(F)c2)c1 1776375364 KQLFZMYCIZJOOD-VQHVLOKHSA-N 312.340 4.543 30 20 DJED COc1ccc(/C=C/C(=O)c2oc3ccccc3c2C)cc1OC 26763364 CZWGCDOAOBVLNR-CSKARUKUSA-N 322.360 4.655 30 20 DJED Cc1ccc(N[C@H](C)c2ccc(OCC#N)cc2)cc1Cl 37188442 IYSLHTJXSOIGAK-CYBMUJFWSA-N 300.789 4.724 30 20 DJED C[C@H](c1ccccc1Cl)N(C(=O)c1cccc(C#N)c1)C1CC1 45398260 IPKWEHHFDXREDJ-CYBMUJFWSA-N 324.811 4.577 30 20 DJED Cc1nc(CNc2ccccc2SC[C@H](C)C#N)sc1C 88533383 ITFFEKQDGLTBJS-LLVKDONJSA-N 317.483 4.624 30 20 DJED C[C@H](Nc1ccc(F)cc1OCC#N)c1ccc(F)c(Cl)c1 155434573 QABIAWCGTGZIFI-JTQLQIEISA-N 322.742 4.694 30 20 DJED Cc1ccccc1Sc1ccc(C(=O)N(C)[C@H](C)CC#N)cc1 161638794 JSSPDGAJYNEPDQ-OAHLLOKOSA-N 324.449 4.520 30 20 DJED N#Cc1csc(CN[C@H](c2ccc(F)cc2)C2CCCC2)c1 177692293 QDMLFOYNUMZRHB-SFHVURJKSA-N 314.429 4.780 30 20 DJED CCCCCCCCCC(=O)N1CCC[C@@H]1c1cccnc1 196210629 CRNOLUDFIGABHN-GOSISDBHSA-N 302.462 4.886 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1CF 297702069 HLZJBCUGJPAVKF-OAHLLOKOSA-N 304.409 4.504 30 20 DJED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@H](C)C1CCCCC1 303104644 JBHUSALRTFVKLV-KRWDZBQOSA-N 324.468 4.679 30 20 DJED CC(C)=CCSc1ccccc1C(=O)Nc1cccc(C#N)c1 303909088 RMJIKMWBIGLOGR-UHFFFAOYSA-N 322.433 4.869 30 20 DJED O=C(/C=C/c1cccc(Cl)c1)c1c(Cl)nc2sccn12 303936031 ROXKKWQEQTXGOF-SNAWJCMRSA-N 323.204 4.599 30 20 DJED CC[C@H]1OCCC[C@@H]1C(O)=Nc1scnc1-c1ccccc1 330253571 OVQASJOOLIKGER-UONOGXRCSA-N 316.426 4.603 30 20 DJED CC(C)Oc1ccccc1CN[C@@H]1CCCc2cc(C#N)ccc21 341762967 WLMOCSCOEOAAKJ-HXUWFJFHSA-N 320.436 4.513 30 20 DJED C[C@@H](CC(F)F)C(=O)Nc1sc(-c2ccccc2)cc1C#N 414943784 MRCGIYHQSUZRQQ-JTQLQIEISA-N 320.364 4.517 30 20 DJED COc1cc(C#N)ccc1CSc1nc(-c2ccccc2)co1 436265795 XECSBHXHDLVWBO-UHFFFAOYSA-N 322.389 4.514 30 20 DJED C=C[C@](C)(CC)C(=O)N1CC=C(c2cccc3ccccc23)C1 443134197 TWBAGBSFNLILLU-OAQYLSRUSA-N 305.421 4.668 30 20 DJED CCOc1cccc([C@H](C)N[C@@H](CC)c2ccc(C#N)cc2)c1 447530776 NPPAONGEORHBBA-YWZLYKJASA-N 308.425 4.759 30 20 DJED C=CCC[C@H](NCc1ncc(-c2ccccc2)[nH]1)c1ccccc1 447823793 WOEACVQWSTXEED-IBGZPJMESA-N 317.436 4.874 30 20 DJED CC1(C#N)CCC(NCCc2c(Cl)cccc2Cl)CC1 449090832 HMOIUFWKIGFPNK-UHFFFAOYSA-N 311.256 4.598 30 20 DJED C=CCC(CC=C)C(=O)Nc1sc2c(c1C#N)CCCCC2 468547232 HIIXGMQTINSOLD-UHFFFAOYSA-N 314.454 4.596 30 20 DJED CC[C@H](CC#N)NC(=O)Nc1ccccc1Oc1cccc(C)c1 475005633 IBRKVJIRUWUJDI-OAHLLOKOSA-N 323.396 4.601 30 20 DJED C[C@H](Oc1ccccc1NC(=O)CC(C)(C)C#N)c1ccccc1 485487547 GSGNBUGKCBGZAL-HNNXBMFYSA-N 322.408 4.705 30 20 DJED Cc1cc(CN[C@@H](C)c2cccc(OC(C)C)c2)ccc1C#N 488166519 UQOPJFNQSBWALW-INIZCTEOSA-N 308.425 4.505 30 20 DJED N#Cc1ccnc(N[C@H]2CCCc3sc(Cl)cc32)c1Cl 488751648 PXAWEVVDPKDHTL-JTQLQIEISA-N 324.236 4.811 30 20 DJED N#Cc1cc(F)ccc1CN1CCC[C@H]1c1cccc(Cl)c1 489636872 VBFAINBUKWAJSF-SFHVURJKSA-N 314.791 4.688 30 20 DJED CC(C)CCOc1ccc(CNCC(C)(C)CCC#N)cc1 516338936 DZZUNDCJKLQBRE-UHFFFAOYSA-N 302.462 4.531 30 20 DJED C=CCCC(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1 522596268 XQTAOYUHYFSFLN-MAUKXSAKSA-N 301.430 4.687 30 20 DJED C=CC1CCN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 524660990 CHVOJMNUNZGZFZ-JKSUJKDBSA-N 324.251 4.522 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N(C)Cc1ccc(Cl)c(F)c1 535682510 YOOWJUPTAVHOAT-LBPRGKRZSA-N 302.780 4.544 30 20 DJED CSc1ccc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 537620280 QANYZPQQQJBADH-UXHICEINSA-N 322.477 4.680 30 20 DJED CC[C@H](NCc1cccc(C#N)c1F)c1cccc(Cl)c1 538124284 HTZKYBUMKLKYGX-INIZCTEOSA-N 302.780 4.592 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1nccc2ccccc12 554987926 GXUWHKZOZWYMNY-CABCVRRESA-N 301.393 4.518 30 20 DJED C[C@H](N[C@H]1C[C@H](c2ccccc2Cl)C1)c1cccc(C#N)c1 559919904 STXXWAPXTRHAGQ-JQFCIGGWSA-N 310.828 4.808 30 20 DJED CC(C)[C@H](Nc1cc(C#N)ccn1)c1ccc(Cl)cc1F 561267733 KDOPPZXNPHFVJL-INIZCTEOSA-N 303.768 4.555 30 20 DJED CC(C)(C#N)CCSCc1noc(-c2ccc(Cl)cc2)n1 583834673 UDZLPEQCVXWUET-UHFFFAOYSA-N 321.833 4.563 30 20 DJED C=C(C)COc1cccc(NC(=O)c2c(C)[nH]c3ccccc23)c1 589552905 MGKMMMQYIXPXMC-UHFFFAOYSA-N 320.392 4.684 30 20 DJED N#Cc1cccnc1SC(c1ccccc1)c1ccccc1 603474553 OBRCEGTVSNYTGI-UHFFFAOYSA-N 302.402 4.835 30 20 DJED C=CCCCNc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 607149548 YYXSALKRBYEPCV-UHFFFAOYSA-N 324.424 4.716 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1ccc(C(C)C)cc1 609187056 HKGBYQYQSFBWNA-UHFFFAOYSA-N 300.446 4.602 30 20 DJED C[C@@]1(C#N)CCCN(C(=O)N(c2ccccc2)c2ccccc2)C1 612152859 FPNHYHXNMPQJFV-FQEVSTJZSA-N 319.408 4.570 30 20 DJED N#Cc1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)cc1Cl 619746954 WGVGGYGABMEZAT-QGZVFWFLSA-N 317.219 4.642 30 20 DJED CC(C)(CC(F)(F)F)NCc1ccc(F)cc1C(F)(F)F 682168135 UTXWDFZLIWZOGT-UHFFFAOYSA-N 317.248 4.665 30 20 DJED O=C1/C(=C\c2ccc3ncccc3c2)Oc2c(Cl)cccc21 729149219 DOSTZVQJTZXUQK-MHWRWJLKSA-N 307.736 4.504 30 20 DJED Cc1c(Cl)cccc1NC(=S)N(CCC#N)CC(C)(C)C 729645980 LYDHWMIRIWFYPS-UHFFFAOYSA-N 323.893 4.607 30 20 DJED CCCCCC[C@H](CC)C(=O)N(C)Cc1cccc(C#N)c1 734999961 YASDJCUADRSYIR-SFHVURJKSA-N 300.446 4.513 30 20 DJED O=C(/C=C/c1cccc(Oc2ccccc2)c1)c1cncs1 735792993 PPQDHOWDXJZHSQ-MDZDMXLPSA-N 307.374 4.832 30 20 DJED COc1ccc(C)cc1CON=C(C)c1cc2ccccc2o1 745500254 URBBMDVSCXJSHC-UHFFFAOYSA-N 309.365 4.691 30 20 DJED Cc1ccc(C(=O)/C=C\c2cccc(OC(F)F)c2)c(C)c1 747063130 BRACBHGBGCHURJ-CLFYSBASSA-N 302.320 4.801 30 20 DJED N#Cc1ccc(C(=O)OC2c3ccccc3-c3ccccc32)s1 749310084 GCEQNBWGQSRYAQ-UHFFFAOYSA-N 317.369 4.547 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C1/CC[C@@H](C)C1 753570501 BXUWFCXPRQXFCE-YGYTWAPGSA-N 309.862 4.663 30 20 DJED Cc1ccc2c(Cl)c(C(=O)O[C@H](C)C(C)(C)C#N)sc2c1 753613766 SWEYZQVIHOMQEU-SNVBAGLBSA-N 321.829 4.958 30 20 DJED N#Cc1ccccc1C=NN(Cc1ccccc1)c1ccccc1 755465627 LXRQTLRSGMDHOI-UHFFFAOYSA-N 311.388 4.599 30 20 DJED O=C(/C=C/c1cnc(C2CCC2)s1)c1ccccc1Cl 760263768 IECUNNIWCHQDHQ-CMDGGOBGSA-N 303.814 4.960 30 20 DJED CCCC(C#N)(CCC)NC(=O)c1cc2cccc(Cl)c2o1 762608348 RHJUHDOJWORZJD-UHFFFAOYSA-N 318.804 4.679 30 20 DJED Cc1ccc2nc(C3CC3)cc(C(=O)OCC(C)(C)CC#N)c2c1 764848217 QTVALRJEWFQQKX-UHFFFAOYSA-N 322.408 4.517 30 20 DJED CCCCc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)cc1 770482314 QJFLSAMRXSXYIR-MRXNPFEDSA-N 308.425 4.932 30 20 DJED N#Cc1ccc(CNc2ccc3c(c2)OC2(CCCCC2)O3)cc1 770513267 WQZLIHMVHVYIGU-UHFFFAOYSA-N 320.392 4.602 30 20 DJED CC(C)C(C)(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 784057835 YDKMIJAFGIFVDN-LJQANCHMSA-N 320.436 4.963 30 20 DJED N#CC[C@@H](CC(=O)Nc1ccc2ccccc2c1)c1ccccc1 792763930 ZAHJPOBPVXIDRU-IBGZPJMESA-N 314.388 4.866 30 20 DJED CC[C@@H]1CCC[C@@H]1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 835070932 SOXPCTYQMQLORE-KBMXLJTQSA-N 324.449 4.813 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)c(F)c1 916141362 FVTMCWYIBZGOAE-WTKPLQERSA-N 324.273 4.749 30 20 DJED CCOc1c(Cl)cc(C=NNc2cccc(C)c2)cc1OC 916256102 LOHYIKRDRSNKJU-UHFFFAOYSA-N 318.804 4.502 30 20 DJED Cc1nc(N[C@@H](CC2CCCC2)c2ccccc2)ccc1C#N 1162873110 BNAQRUOQMHWLMH-IBGZPJMESA-N 305.425 4.995 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1CCC(CCc2ccccc2)CC1 1176193417 QUFWRAXICIDUQM-SFHVURJKSA-N 318.464 4.964 30 20 DJED Cc1cc(CN2CCC(=Cc3ccccc3F)CC2)ccc1C#N 1204625066 LNGNEDVEHCNMPH-UHFFFAOYSA-N 320.411 4.685 30 20 DJED CC(C)c1ccc(C2(C(=O)Nc3ccc(C#N)cc3)CCC2)cc1 1264212751 VBZUBOSDRRCMSZ-UHFFFAOYSA-N 318.420 4.742 30 20 DJED C=CCN(C(=O)c1ccc(C)c(-n2cccc2)c1)c1ccccc1 1318271710 MZVNOLCWTBKBBU-UHFFFAOYSA-N 316.404 4.619 30 20 DJED C[C@H](OC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cccc(C#N)c1 1457759695 IRWSEYCKOJSOBY-RGIVZKHGSA-N 311.425 4.769 30 20 DJED C[C@@H]1Sc2ccccc2N(Cc2ccc(F)c(C#N)c2)[C@H]1C 1473245046 WZCRGYFGAPPPKP-STQMWFEESA-N 312.413 4.587 30 20 DJED CCc1c(C(=O)N(CC)c2ccc(C#N)cc2)oc2ccccc12 1523020704 ZBMHFZDRSRGGOU-UHFFFAOYSA-N 318.376 4.534 30 20 DJED C[C@H]1CCc2sc(NC(=O)C3CC(C)(C)C3)c(C#N)c2[C@H]1C 1524031078 RVHFXVORHIWHGF-QWRGUYRKSA-N 316.470 4.680 30 20 DJED CCCC[C@H](CC)CCCN(C)C(=O)c1cc(C#N)ccc1C 1533373206 JNSRYAMEFLECAY-KRWDZBQOSA-N 314.473 4.935 30 20 DJED N#Cc1ccsc1C(=O)N[C@H](CC1CCCC1)c1ccccc1 1536369607 VILHSLXMLSSOHW-QGZVFWFLSA-N 324.449 4.671 30 20 DJED CCCN(Cc1ccc(C#N)cc1)CC(C)(C)Oc1ccccc1 1560691341 ZOGLQRAUAKGNIS-UHFFFAOYSA-N 322.452 4.628 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)C3CCCCC3)c2C#N)[C@@H](C)C1 1583689739 KIZKGOCPLOUEHM-RYUDHWBXSA-N 316.470 4.824 30 20 DJED CCCC[C@H](CC)CCCN(C)C(=O)c1cc(C#N)ccc1F 1586673981 WLFGTHXONLGUMW-HNNXBMFYSA-N 318.436 4.766 30 20 DJED CC[C@H](C)[C@@H](C)NCc1cccc(OCc2ccccc2C#N)c1 1620805074 IIBFZJMILWMGSN-DLBZAZTESA-N 322.452 4.661 30 20 DJED CCCc1ccc(-c2ccc(NC(=O)N[C@H](C)CC#N)cc2)cc1 1623123475 FPXHMSPFZMUROQ-OAHLLOKOSA-N 321.424 4.730 30 20 DJED N#Cc1c(F)cccc1OCc1nc(C2CCCCC2)cs1 1641012658 OTOGOQZVZVXZEU-UHFFFAOYSA-N 316.401 4.781 30 20 DJED Cc1cc(N[C@H]2C[C@@]2(C)C(C)C)n2c(nc3ccccc32)c1C#N 1651128367 BBLHLKCLNUQBQD-PXNSSMCTSA-N 318.424 4.514 30 20 DJED N#Cc1c(F)cccc1CN1CCC[C@@H]1c1ccc(Cl)cc1 1651891613 NDBXZRPYXWICFI-GOSISDBHSA-N 314.791 4.688 30 20 DJED COc1ccc(CSCc2ccc(C#N)cc2C)cc1Cl 1652826628 YINGMRTZFHICIE-UHFFFAOYSA-N 317.841 4.962 30 20 DJED CN(Cc1ccc(CC#N)cc1)[C@H]1CCC[C@H]1c1ccccc1 1653848486 UOGPNPDLRICCBU-SFTDATJTSA-N 304.437 4.521 30 20 DJED CC[C@@H](c1ccc(F)cc1)N1CC=C(c2ccc(C#N)cc2)CC1 1654015615 VEGMADBBSUWXNT-NRFANRHFSA-N 320.411 4.938 30 20 DJED C[C@@H]1CCCC[C@H]1CCNC(=O)Nc1ccc(C#N)c(Cl)c1 1665386106 RSVVEEOMMTXNTF-OLZOCXBDSA-N 319.836 4.550 30 20 DJED CC1(C)CCC[C@H](C=NNc2ccc(Cl)c(C(=O)O)c2)C1 1776033708 VFMMTSRDSFKHMN-NSHDSACASA-N 308.809 4.652 30 20 DJED Cc1c(NN=C2CC(C)(C)CC(C)(C)C2)cccc1C(=O)O 1776087484 FRBVCPCXXXFXLA-UHFFFAOYSA-N 302.418 4.697 30 20 DJED CCCC[C@@H](CC)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 1857795562 FXRUXCVEKBADLL-CQSZACIVSA-N 322.323 4.806 30 20 DJED O=C(/C=C\c1cccc2ccccc12)c1ccc2c(c1)OCCO2 33922157 CNXPNAIWIWXCFI-NTMALXAHSA-N 316.356 4.507 30 20 DJED CCN(C[C@@H](C)C#N)C(=O)c1oc2c(ccc3ccccc32)c1C 58383952 ALYYGXMHILGXDL-ZDUSSCGKSA-N 320.392 4.516 30 20 DJED Cc1ccc(NC(=O)C(C)C)cc1N[C@@H](C)c1cccc(C#N)c1 182578254 DBUNVQSIEQSBSR-HNNXBMFYSA-N 321.424 4.634 30 20 DJED C=C(C)[C@H](NCc1cccc(OC)c1F)c1ccc(F)c(F)c1 192710715 TVBDRKKCCVWRLR-SFHVURJKSA-N 321.342 4.520 30 20 DJED Cc1ccc(C(C)(C)/N=C(/O)c2cc(C(C)C)oc2C)cn1 330609776 STMCODUMDDVZTQ-UHFFFAOYSA-N 300.402 4.655 30 20 DJED N#CC1(CCN[C@H](c2ccccc2)c2ccccn2)CCCCC1 411317437 ATYOVRYJGFZMCH-HXUWFJFHSA-N 319.452 4.625 30 20 DJED Cc1nc(-c2cc([C@H](C)NCC(C)(C)CC#N)cs2)cs1 414168414 QQDVNNYFBYYFBI-NSHDSACASA-N 319.499 4.771 30 20 DJED C=CCCCS[C@H]1CCCN(c2ccccc2Cl)C1=O 437268725 MOJASRRBMPGUFU-HNNXBMFYSA-N 309.862 4.535 30 20 DJED N#Cc1ccc(NC(=O)N2CCCC3(CCCCCC3)C2)cc1 437659772 DEMLHWQIUSVFHJ-UHFFFAOYSA-N 311.429 4.527 30 20 DJED N#CCCCC(=O)Nc1ccccc1-c1nc2ccccc2s1 463132323 ARHLXIOPJOLWIN-UHFFFAOYSA-N 321.405 4.596 30 20 DJED C=C(C)CN(CC)C(=O)CSc1ccc(Cl)c(Cl)c1 463194942 XHTASYLWNVFESR-UHFFFAOYSA-N 318.269 4.510 30 20 DJED CC[C@H](C)c1ccc([C@@H](NCc2cc(C#N)n(C)c2)C(C)C)cc1 480670975 ZNUQHTGEPJQCOI-KKSFZXQISA-N 323.484 4.897 30 20 DJED C=CC[C@H](C(=O)Nc1cccc(C(=O)CC)c1)c1ccccc1 489713146 IVLFVIOKJLDDCC-SFHVURJKSA-N 307.393 4.578 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C[C@@H]1CCCC(F)(F)C1 513885210 MMZSVPIXSHLMET-QGZVFWFLSA-N 306.400 4.594 30 20 DJED C=CC1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 518452967 KAANVWPSWXNEGL-QGZVFWFLSA-N 320.864 4.645 30 20 DJED C=CCOc1ccccc1CN[C@H](C)c1nccc2ccccc12 519736895 VMVRGYVTSVOSOQ-MRXNPFEDSA-N 318.420 4.650 30 20 DJED Cc1cccc(CN(CC(C)C)C(=O)Nc2cccc(C#N)c2)c1 521765050 VUITUYNJFGONRM-UHFFFAOYSA-N 321.424 4.557 30 20 DJED C=CC[C@H](C)NC(=O)N[C@H](C)c1ccc(SC(C)C)cc1 523940938 HCACICRTRUBYBN-UONOGXRCSA-N 306.475 4.512 30 20 DJED C=CCCC[C@@H](C)NC(=O)N1CC[C@H]1c1ccc(Cl)cc1 553192759 OKRCJHSLELWNBA-CJNGLKHVSA-N 306.837 4.541 30 20 DJED C=CCC(F)(F)c1nc(Cc2c(Cl)cccc2Cl)no1 559930844 ZJPXROZGVJZIGW-UHFFFAOYSA-N 319.138 4.635 30 20 DJED CC(C)c1ccc2occ(C(=O)Nc3ccccc3C#N)c2c1 564043360 VQDVKCCUNMZZBV-UHFFFAOYSA-N 304.349 4.680 30 20 DJED CCN(CCCSCC#N)C(c1ccccc1)c1ccccc1 573055170 AGXFUUAFCDJJIA-UHFFFAOYSA-N 324.493 4.745 30 20 DJED CC[C@@H](C)Oc1cc(CNc2cccc(CC#N)c2)ccc1OC 590662314 RLWZONZNVISOSS-OAHLLOKOSA-N 324.424 4.551 30 20 DJED C=CCCCCCN(C)C(=O)CCc1c[nH]c2c(C)cccc12 607507132 GFYYLNCPARWDST-UHFFFAOYSA-N 312.457 4.614 30 20 DJED C[C@H](C(=O)Nc1ccccc1SC[C@H](C)C#N)C1CCCC1 610522701 OAHHTOLLPFSZTG-KGLIPLIRSA-N 316.470 4.703 30 20 DJED Cc1cc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)ccc1F 611394680 WGGQPHTYLMAXAP-VBKZILBWSA-N 308.400 4.734 30 20 DJED C[C@H](NC1(c2ccc(F)cc2)CCC1)c1ccc(C#N)c(F)c1 611470673 XOLDKSMRXMFOEG-ZDUSSCGKSA-N 312.363 4.566 30 20 DJED C=C(CNCc1ccc2cc(OC)ccc2c1)c1ccccc1 620757832 PBIVKZIMQPHLNH-UHFFFAOYSA-N 303.405 4.651 30 20 DJED N#Cc1ccc(NN=Cc2ccc(Cl)c(C(F)(F)F)c2)cc1 727255268 MRZFCKTWFMKJDC-UHFFFAOYSA-N 323.705 4.676 30 20 DJED CCCCN(Cc1ccc(OCC#N)cc1)C1CCCCC1 731211843 DQMDXPVMWFVDQZ-UHFFFAOYSA-N 300.446 4.524 30 20 DJED CC(=NNc1cc(F)c(F)cc1F)c1ccc(OC(C)C)cc1 734302783 OIAYPIGSNKWKNE-UHFFFAOYSA-N 322.330 4.727 30 20 DJED C=CC[C@@H](NC(=O)C[C@H](C)c1ccc(CC)cc1)c1ccncc1 737855510 VWVOWWIFJIVGNN-OXJNMPFZSA-N 322.452 4.571 30 20 DJED CC(=NNc1cccc(Br)c1)c1ccccc1C 745988274 RXICTSMMXDUQIC-UHFFFAOYSA-N 303.203 4.594 30 20 DJED CCCCCCCCCCC(C)(C)C(=O)N1CCC(O)CC1 755491979 WFCCYUOTJQZMRX-UHFFFAOYSA-N 311.510 4.527 30 20 DJED C#CC[C@H](NCc1csc(-c2ccsc2)n1)c1ccccc1 756997539 WZYNLXLZBYPOTO-KRWDZBQOSA-N 324.474 4.726 30 20 DJED CC(=NNc1cc(C)c2ccc(C)c(C)c2n1)c1cnc(C)s1 761256403 UJXMSTYGPUNXNL-UHFFFAOYSA-N 324.453 4.761 30 20 DJED C[C@@H](C=NOCCC(F)(F)F)c1cccc(Br)c1 777460694 QOASFPIHDMRKML-VIFPVBQESA-N 324.140 4.507 30 20 DJED CC(/C=C\C(=O)c1ccc(C)s1)=C\c1cccc([N+](=O)[O-])c1 787170109 SJIICHVRZXNLJJ-DEOFSOSHSA-N 313.378 4.807 30 20 DJED Cc1c(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)cnn1C(C)C 787187777 XBIYJPDCKVGYLO-TWGQIWQCSA-N 322.330 4.687 30 20 DJED C=CCC1(C(=O)OCc2csc(-c3ccc(C)o3)n2)CCC1 791559570 YMLWVFVHGUDZRQ-UHFFFAOYSA-N 317.410 4.501 30 20 DJED C[C@@H]1/C(=C\c2cccc(OC(F)F)c2)C(=O)c2ccccc21 809159780 WNOXQRHBDFEWOP-YAFRSCOQSA-N 300.304 4.671 30 20 DJED Cc1cc(N(C)C)ccc1N=Cc1c(O)ccc2ccccc12 915978761 JIZZQYVSVNGFKB-UHFFFAOYSA-N 304.393 4.670 30 20 DJED Cc1ccc(NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 916250633 PYTDIHFUDSAQGR-UHFFFAOYSA-N 321.336 4.609 30 20 DJED C[C@H](OC(=O)c1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 918851477 MONRNQDFNRPULT-JTQLQIEISA-N 320.175 4.783 30 20 DJED COc1cccc2cc(/C=C3/Cc4cc(C)ccc4C3=O)oc12 921263877 KFQJJIIIDNIIRO-PTNGSMBKSA-N 304.345 4.572 30 20 DJED CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)N(CCC#N)C(C)C 1136475658 MXGLHUIQZHLTBS-GNZRSQJKSA-N 318.505 4.770 30 20 DJED C=C(Br)CN1CC2(CCCC2)[C@H]1c1ccccc1 1170906969 VTBCQPPQBNXCJH-OAHLLOKOSA-N 306.247 4.512 30 20 DJED COc1cccc([C@@H](C)SCc2cn3ccccc3c2C#N)c1 1188953434 WJJVKCJBAKOYAK-CQSZACIVSA-N 322.433 4.814 30 20 DJED Cc1cc(CN2C[C@@H]3CCCC[C@]32c2ccccc2)ccc1C#N 1204633802 ZFNSXHLVIAYSFN-VXKWHMMOSA-N 316.448 4.768 30 20 DJED Cc1ccccc1[C@H](NC(=O)c1ccc(C#N)cc1F)C(C)(C)C 1265760243 SOMZGQMGCJAVIL-SFHVURJKSA-N 324.399 4.523 30 20 DJED C[C@H]1CC[C@@H](c2ccccc2)N(Cc2cccc(F)c2C#N)C1 1308757165 RCBZYQYPCKKPNF-YWZLYKJASA-N 308.400 4.671 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 1310382438 ROEPREKEYGLAQL-SJORKVTESA-N 313.445 4.593 30 20 DJED N#CCc1cccc(N[C@@H](Cc2ccccc2)c2ccccc2)n1 1320359335 WUZUEEOAQOAUHR-FQEVSTJZSA-N 313.404 4.544 30 20 DJED Cc1ccc(CNc2c(C#N)cnc3c(Cl)cccc23)s1 1472659890 ZWNGGUITBBFZEU-UHFFFAOYSA-N 313.813 4.742 30 20 DJED CC1(C)CCCN(CCc2cccc(Cl)c2Cl)[C@H]1C#N 1473449677 TVACBPRUBVNHAZ-AWEZNQCLSA-N 311.256 4.550 30 20 DJED C[C@H](CC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C1CC1 1518355516 CJBGSDDMMNNSIY-CQSZACIVSA-N 320.392 4.725 30 20 DJED Cc1cc(C)cc(C2CCN(Cc3ccc(C#N)cc3C)CC2)c1 1560205561 XSAAQXHPFHLTPH-UHFFFAOYSA-N 318.464 4.863 30 20 DJED CC(C)CC[C@@H]1CCCCN1C(=O)Nc1ccc(F)cc1C#N 1562449929 VZLXPQPQYKKCMH-INIZCTEOSA-N 317.408 4.520 30 20 DJED CC(C)(C)C[C@@H]1CCN(c2c(Br)cccc2C#N)C1 1612497282 FPDAUKMRQQNZKZ-LBPRGKRZSA-N 321.262 4.583 30 20 DJED Cc1ccc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c(Cl)c1 1615607473 INJNDKQYEOOSLW-QUCCMNQESA-N 324.855 4.920 30 20 DJED CC[C@@H](C)c1ccc([C@H](Nc2cc(C#N)cnn2)C(C)C)cc1 1639204700 POTVBDOZVAGAFE-AUUYWEPGSA-N 308.429 4.671 30 20 DJED CC(C)c1ccc(C[C@H](C)Nc2nc(Cl)c(C#N)s2)cc1 1642449921 WYMWXJTWGFCZAN-NSHDSACASA-N 319.861 4.835 30 20 DJED C[C@H]1CCC[C@H](COc2ccc(Br)c(C#N)c2)C1 1652243342 RLQJEXDPPFECMV-RYUDHWBXSA-N 308.219 4.526 30 20 DJED Cc1ccc(CN(C)c2nc(C(C)(C)C)ccc2C#N)cc1C 1655566475 AKOVZBHBXWVTET-UHFFFAOYSA-N 307.441 4.504 30 20 DJED CCc1ccc(CC)c(C(=O)CSc2ccc(C#N)c(C)c2)c1 1656667010 NDZCPEOSAFGZMF-UHFFFAOYSA-N 323.461 4.967 30 20 DJED CCOc1ccc(C#N)cc1N[C@H]1CCC[C@H](CC(C)C)C1 1657712985 KNUGWCXNFVFJFE-WBVHZDCISA-N 300.446 4.974 30 20 DJED CC(C)(C)C1CCC(CN[C@H]2CCc3cc(C#N)ccc32)CC1 1657892560 ZICXGSIZWYYHOY-UPQHMETBSA-N 310.485 4.988 30 20 DJED C[C@@H](Cc1ccc(-c2ccccc2)cc1)NCC1(C#N)CCC1 1659475361 MGXQETXGJUXMMR-KRWDZBQOSA-N 304.437 4.568 30 20 DJED Cc1c(NN=C2C[C@H](C)CC[C@@H]2C(C)C)cccc1C(=O)O 1776086468 WBLFWHTZAMQZLZ-TZMCWYRMSA-N 302.418 4.553 30 20 DJED Cc1c(NN=Cc2cccc(C3CCCC3)c2)cccc1C(=O)O 1776088943 SLKIBTJOYSJNPC-UHFFFAOYSA-N 322.408 4.797 30 20 DJED COc1ccc(/C=C/C(=O)c2cc(Cl)sc2Cl)cc1 18065564 SCFSBYGXFVIDMF-QPJJXVBHSA-N 313.205 4.960 30 20 DJED C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cccc(C#N)c1)C1CC1 45397384 CNRWSIMXPXLTBI-ZDUSSCGKSA-N 324.811 4.577 30 20 DJED N#Cc1ccc(CSCCOc2cccc(Cl)c2)cc1 58685643 RXTLWZYUHWLHGP-UHFFFAOYSA-N 303.814 4.524 30 20 DJED C=CCCCC(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1 175629496 HABFDDKTRMZLIU-UHFFFAOYSA-N 320.502 4.503 30 20 DJED C[C@H](NCc1ccc(OCC#N)cc1)c1cc2ccccc2s1 184367981 VAZAAVYWNUPDTJ-AWEZNQCLSA-N 322.433 4.654 30 20 DJED C[C@H](Nc1ccc(C#N)c(Br)c1)c1cccs1 228178312 FYXMYBSQVMOLCO-VIFPVBQESA-N 307.216 4.555 30 20 DJED Cc1ccc(F)cc1Oc1ccc(C#N)c(Br)c1 228203600 OJMWJVYVQUANOX-UHFFFAOYSA-N 306.134 4.561 30 20 DJED CC(=O)c1ccc(Cl)c(Cl)c1OCCC(C)(C)C#N 281738150 BEPSTROIZHMLLH-UHFFFAOYSA-N 300.185 4.515 30 20 DJED CC(=O)c1c(C)[nH]c(/C(O)=N/[C@H](C)C2CCCC2)c1C(C)C 330394298 LLQNSYINEVVEJX-LLVKDONJSA-N 304.434 4.532 30 20 DJED N#Cc1ccc(NC(=O)c2ccc3sccc3c2)cc1Cl 386268269 YJSNDGMKISZITF-UHFFFAOYSA-N 312.781 4.679 30 20 DJED C=CCN(C)Cc1nc(-c2cc(Cl)ccc2Cl)cs1 428388355 IIZWSISEALXEBG-UHFFFAOYSA-N 313.253 4.735 30 20 DJED CSc1ccc([C@@H](C)NCc2ccc(Cl)cc2C#N)cc1 439464934 DXKSNIKRCIGPLF-GFCCVEGCSA-N 316.857 4.784 30 20 DJED CC[C@H](CC#N)N[C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 442856612 RDACUCCUJKPGNV-IMJJTQAJSA-N 310.363 4.623 30 20 DJED C=CCCCCCN(C)C(=O)c1cc(Br)ccc1C 460377318 XVHGVZSYVZNHHM-UHFFFAOYSA-N 324.262 4.576 30 20 DJED CC[C@@H](CC#N)N[C@H](CCc1ccccc1)Cc1ccccc1 462065294 MBCKJBWKJROXGZ-LEWJYISDSA-N 306.453 4.512 30 20 DJED C=CC[C@@H](CC)NC(=O)N1CCC[C@@H]1c1ccccc1Cl 466367656 XTDOASSVOJLNAK-CZUORRHYSA-N 306.837 4.541 30 20 DJED C=CCCN(C)C(=O)Nc1ccccc1SC1CCCC1 466377397 DJLUGKUOMYPKEH-UHFFFAOYSA-N 304.459 4.761 30 20 DJED N#C[C@H]1CCC[C@@H](NC2(c3ccc(Cl)c(Cl)c3)CC2)C1 467446322 DLSXRFXPVQTMDL-WCQYABFASA-N 309.240 4.654 30 20 DJED C=C(C)[C@H](NCc1cccc(OCC)c1)c1ccc(F)c(F)c1 479419433 VEVAJVSNBFJDCJ-IBGZPJMESA-N 317.379 4.771 30 20 DJED N#CCCCCN[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 531705479 POPMWPYHQUEWRD-IBGZPJMESA-N 312.844 4.907 30 20 DJED C[C@H]1OCC[C@H]1SCc1ccc(-c2ccccc2C#N)cc1 533626093 JGFHFGIMBLJSSV-AUUYWEPGSA-N 309.434 4.636 30 20 DJED N#CC1(CSCC/C=C\c2ccc(Br)cc2)CC1 537314998 YVTDFEWKPSXTOK-IWQZZHSRSA-N 322.271 4.889 30 20 DJED C=CCC(CC=C)c1nc(-c2ccc3cc(OC)ccc3n2)no1 545630360 CUYVSIDMSQIXDL-UHFFFAOYSA-N 321.380 4.529 30 20 DJED N#CCc1ccc(CNc2ccc(-c3ccco3)cc2F)cc1 564406331 XFEJICRLBRABGA-UHFFFAOYSA-N 306.340 4.764 30 20 DJED CC[C@@H](NCc1cccc(CSC)c1)c1ccc(C#N)cc1 571849955 QSLYPSSNLQBYOZ-LJQANCHMSA-N 310.466 4.662 30 20 DJED CCCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)C 580461721 DHVLKTWZQFLNOS-CQSZACIVSA-N 319.474 4.591 30 20 DJED CC(C)c1ccc([C@@H]2CCCN2C(=O)CCCCCC#N)cc1 588660906 YOKXVKQDKSYWNH-IBGZPJMESA-N 312.457 4.948 30 20 DJED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CC2CC2)cc1Cl 603765867 AFFYULUKFURMKQ-KRWDZBQOSA-N 324.811 4.734 30 20 DJED C#Cc1cccc(N(C(=O)c2ccc(F)cc2Cl)C(C)C)c1 728247977 WTQSTXXRLXPYNL-UHFFFAOYSA-N 315.775 4.516 30 20 DJED C[C@@H](Sc1nnc(-c2ccccc2)s1)c1ccc(C#N)cc1 735618924 LMWHDSQYTSFVKY-GFCCVEGCSA-N 323.446 4.930 30 20 DJED CC(=O)Nc1cccc(C(C)=NNc2cccc3ccccc23)c1 747060528 VQEVNUINRCWDDO-UHFFFAOYSA-N 317.392 4.634 30 20 DJED COc1ccc([C@H](C)C(C)=NNc2cccc3cnccc23)cc1 747631285 HMENSYZTDHARSC-CQSZACIVSA-N 319.408 4.835 30 20 DJED C=C(C)CNC(=S)N(Cc1ccccc1)[C@@H]1CCCC1(C)C 749900498 WLYKNWQZCYIIHO-QGZVFWFLSA-N 316.514 4.518 30 20 DJED COc1ccc(O)c(C=Nc2cccc(-c3cccs3)c2)c1 750948956 BBRIZADJCJAFKX-UHFFFAOYSA-N 309.390 4.880 30 20 DJED CC(C)=C(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 751377186 BUUUZHUIAKEROI-UHFFFAOYSA-N 306.365 4.645 30 20 DJED C#CCCCCNC(=O)c1ccc(CSc2ccccc2)cc1 758626303 DCFXIAGVMDDUGY-UHFFFAOYSA-N 323.461 4.512 30 20 DJED CC(=NNc1ccc(Cl)c(Cl)c1)c1cnc(C)s1 761253629 JVVPRELIPPHADE-UHFFFAOYSA-N 300.214 4.594 30 20 DJED O=C1/C(=C/c2ccc(Cl)nc2Cl)Cc2ccc(Cl)cc21 761477833 ARRAPKYZQRLKBR-UXBLZVDNSA-N 324.594 4.864 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc(Cl)cc1OC 776086914 ONBVYORITYSBRL-UHFFFAOYSA-N 310.825 4.559 30 20 DJED O=C(/C=C/c1c(Cl)ccc(Cl)c1Cl)c1cncs1 787167224 BMGVCIYWCCEVSD-DAFODLJHSA-N 318.612 4.999 30 20 DJED Cc1c(C(=O)/C=C/c2ccc(C(F)F)cc2)cnn1C(C)(C)C 794942663 CXSHJFIQUYOTJK-JXMROGBWSA-N 318.367 4.780 30 20 DJED N#CC[C@H](CC(=O)Oc1cccc2c1CCCC2)c1ccccc1 796749268 WHIVVLAUZCTCSA-GOSISDBHSA-N 319.404 4.558 30 20 DJED C=CCC[C@@H](NC[C@@H](O)c1cc2ccccc2o1)c1ccccc1 815083563 RQHQUXJALKZPHG-RTBURBONSA-N 321.420 4.763 30 20 DJED C[C@H](NC(=O)[C@]1(C#N)CC12CCCC2)c1csc2ccccc12 823147865 DYBGXVBYOOGDGL-ORAYPTAESA-N 324.449 4.553 30 20 DJED CC(=NNc1cccc(C)c1)c1[nH]c(-c2ccccc2)nc1C 915110355 SRXGZTBLBPTOSG-UHFFFAOYSA-N 304.397 4.530 30 20 DJED CC(=NNc1ccc(Cl)cc1)c1ccccc1OC(F)F 916247031 WDWUDVDTUZXFNH-UHFFFAOYSA-N 310.731 4.778 30 20 DJED CCc1cc(C#N)c(NC(=O)[C@@H](CC)CC2CCCC2)s1 1125351911 UQYJBOGUMNSTQI-ZDUSSCGKSA-N 304.459 4.727 30 20 DJED Cc1cc(CNC[C@@H](C)Oc2ccc(C(C)C)cc2)ccc1C#N 1178689461 WJLNTLMHWNKCPA-QGZVFWFLSA-N 322.452 4.547 30 20 DJED Cc1cc(C(F)(F)F)ccc1CN(C)Cc1ccc(C#N)cc1 1180168947 DCWHUBQBPOJIHU-UHFFFAOYSA-N 318.342 4.518 30 20 DJED N#Cc1c(F)cccc1N[C@@H]1CCCC[C@@H]1Cc1ccccc1 1185254463 VLZPUIWHVGPYSS-VQIMIIECSA-N 308.400 4.911 30 20 DJED CC[C@@H]1Cc2ccccc2CN1Cc1ccc(Cl)cc1C#N 1193117250 LMNWZBDTQFBQQW-LJQANCHMSA-N 310.828 4.549 30 20 DJED C=C(CNC(=O)NC1CCC(CC)(CC)CC1)c1ccccc1 1227600897 XMQGVZBKOJSGCH-UHFFFAOYSA-N 314.473 4.748 30 20 DJED CCSCc1cccc(NC(=O)CC2(C#N)CCCCC2)c1 1265408033 TZWNNZDSNAYXSA-UHFFFAOYSA-N 316.470 4.742 30 20 DJED C=CCN(C(=O)c1cc(Cl)nc2ccccc12)c1ccccc1 1317790967 KVZZTVYHMJFSFV-UHFFFAOYSA-N 322.795 4.721 30 20 DJED C=CCC(C)(C)c1noc([C@@H]2Cc3ccc(C)cc3S2)n1 1324244374 HPORHOOBMUMRMF-AWEZNQCLSA-N 300.427 4.621 30 20 DJED C=C(C)CCC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 1337490077 FNIKRIHTRXRXPK-HNNXBMFYSA-N 311.347 4.725 30 20 DJED Cc1ccc(F)cc1[C@H](C)OC(=O)c1ccc(Cl)c(C#N)c1 1358151019 VCTGICXANLMMER-NSHDSACASA-N 317.747 4.577 30 20 DJED CC(C)C1CCC(NC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1475884258 DSMKWSQJPAUGAC-UHFFFAOYSA-N 319.836 4.548 30 20 DJED CCCC[C@@H](CC)CC(=O)N[C@H]1CCCc2cc(C#N)ccc21 1529288050 YCMMPFMKDVGDHL-BEFAXECRSA-N 312.457 4.658 30 20 DJED CCC(C)(C)c1ccc(C(=O)N(CCC#N)C(C)(C)CC)cc1 1537840919 WNQCDPIIJKVRCL-UHFFFAOYSA-N 314.473 4.919 30 20 DJED CC(C)c1ccc(C(=O)Nc2cccc(CC#N)c2)cc1Cl 1543579610 TVKWXVFIAORVFP-UHFFFAOYSA-N 312.800 4.782 30 20 DJED CC[C@@H](CNc1nc(C(C)(C)C)ccc1C#N)CC(F)(F)F 1559213805 IOJQIFVLINKFTE-LLVKDONJSA-N 313.367 4.641 30 20 DJED C[C@H]1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)c2ccccc21 1562318271 PVDDQKJKARAPBC-ZDUSSCGKSA-N 323.371 4.633 30 20 DJED N#Cc1cnc(Nc2ccc(Nc3ccccc3)cc2)c(F)c1 1611735883 RPIHDGYEZIGKFE-UHFFFAOYSA-N 304.328 4.580 30 20 DJED Cc1c(C#N)c(SC[C@@H]2CCCCC2(F)F)nc2c1CCC2 1651686400 RLMOZYUYNZILKL-LBPRGKRZSA-N 322.424 4.668 30 20 DJED N#Cc1cc2c(nc1SCc1ccc3c(c1)CCC3)CCCC2 1651742918 HTUSZXPPHPBRIK-UHFFFAOYSA-N 320.461 4.613 30 20 DJED C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1ccccc1C(C)(C)C#N 1653528717 FPBVXMAZNBMLPI-XLIONFOSSA-N 318.464 4.866 30 20 DJED CC[C@@H]1CCc2ccccc2N1Cc1ccc(Cl)cc1C#N 1653728568 ZLTOJLBCOUNKSF-GOSISDBHSA-N 310.828 4.943 30 20 DJED CCCc1ccc(C[C@H](C)C=NNc2ccccc2C(=O)O)cc1 1776030908 BZRYLPPHDGWSTI-HNNXBMFYSA-N 324.424 4.614 30 20 DJED CCCCCC1=CCCC1=NNc1ccc(C(=O)O)c(F)c1 1776073339 PHZWMBBYCDLBCC-UHFFFAOYSA-N 304.365 4.592 30 20 DJED CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1cc(F)ccc1F 154324077 NTVGXAPEUVTREH-SGTLLEGYSA-N 300.352 4.638 30 20 DJED Cc1ccc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)s1 164463809 HJQVADSDHIIZEM-VAWYXSNFSA-N 311.450 4.943 30 20 DJED Cc1nc(-c2ccccc2F)sc1[C@@H](C)NCCCCC#N 178641862 OHGBVTVTSXLAIU-GFCCVEGCSA-N 317.433 4.602 30 20 DJED N#Cc1ccc(CNC2(c3ccc(Cl)c(Cl)c3)CC2)s1 267232522 WDBQTEIHCSHCJG-UHFFFAOYSA-N 323.248 4.705 30 20 DJED N#Cc1ccc(Cl)cc1N1CCC(OC2CCCCC2)CC1 301271013 KAPSYQUTUGANPG-UHFFFAOYSA-N 318.848 4.530 30 20 DJED COc1cc(C)ccc1[C@H](C)Nc1cccc(OCCCC#N)c1 324407190 UVDDSZPFGKUWBA-INIZCTEOSA-N 324.424 4.859 30 20 DJED CC[C@H](NCc1ccc(C#N)s1)c1cc(Cl)ccc1OC 421886399 RVTFQEKUZAYANU-HNNXBMFYSA-N 320.845 4.523 30 20 DJED C=C(C)CN(CC)C(=O)[C@H](C)S[C@H](C)c1cccc(C)c1 437457771 BCSPJDNHVOWEFP-CVEARBPZSA-N 305.487 4.602 30 20 DJED N#CCCCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 461793190 AODQNICREPWUBK-UHFFFAOYSA-N 314.772 4.765 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)CCCC1CCCC1 463416060 LKCJMKVIUXCLNP-UHFFFAOYSA-N 312.457 4.657 30 20 DJED Cc1ccc(C#N)cc1NC(=O)Nc1ccc(OC(C)(C)C)cc1 473349996 CKCBNSNMVMJMGH-UHFFFAOYSA-N 323.396 4.688 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1ccc(F)cc1C 484970155 JPSVQZQHGMIFSY-UHFFFAOYSA-N 304.409 4.734 30 20 DJED C=CCCc1ccccc1NC(=O)N1CC[C@H](C)C[C@H](C)C1 505000222 AYEXGVTUAVZRJE-HOTGVXAUSA-N 300.446 4.705 30 20 DJED CC(C)CN(C(=O)[C@H](C)CC1CCCC1)c1ccc(C#N)cc1 510328898 HUUAZMPXORLEGX-MRXNPFEDSA-N 312.457 4.764 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccsc1Cl 516685641 FUJFRYVIAQYLDH-UHFFFAOYSA-N 323.893 4.757 30 20 DJED N#CC1(CN2CCCC[C@H]2c2ccccc2C(F)(F)F)CC1 537255251 QFEPWQKKWZGRIY-HNNXBMFYSA-N 308.347 4.536 30 20 DJED CCN(CC1(C#N)CC1)[C@@H](c1ccccc1)c1ccc(F)cc1 538352082 QTDDNRQIWRLMGX-IBGZPJMESA-N 308.400 4.541 30 20 DJED CCc1ccc([C@H](CC)NC2(c3cccc(C#N)c3)CC2)cc1 556605659 DLIQVALZIMXZEZ-FQEVSTJZSA-N 304.437 4.851 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@@H](C(F)(F)F)C1 557517894 SJOFKMHILLLFKV-INMHGKMJSA-N 322.374 4.646 30 20 DJED N#Cc1cccc(Oc2ccc(NC(=O)C3=CCCCC3)cc2)c1 580680880 ONCIDIHIDWLHEB-UHFFFAOYSA-N 318.376 4.789 30 20 DJED C[C@@H](N[C@H]1CCc2cc(F)c(Cl)cc21)c1cccc(C#N)c1 599026472 BBYMAKHOBDVYJZ-ZMZPIMSZSA-N 314.791 4.689 30 20 DJED C[C@@H]1C[C@H](CC(=O)N(C)c2ccc(C#N)cc2F)CC(C)(C)C1 609217197 ZAWKTLLGMCIDBT-UKRRQHHQSA-N 316.420 4.513 30 20 DJED CCCCOc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 618742035 PLZZIFDMHCCMEG-OAQYLSRUSA-N 320.436 4.514 30 20 DJED C=CC[C@@H]1CCCN(C(=O)Nc2cc(SC)ccc2Cl)C1 667461563 FXBKMHXRDKUAGJ-GFCCVEGCSA-N 324.877 4.882 30 20 DJED C#CCOc1ccc(CN[C@H](CC(C)C)c2ccccc2)cc1 733323394 YMYKVNWRHRGCBZ-OAQYLSRUSA-N 307.437 4.576 30 20 DJED CC(=NNc1ccc(F)cc1)c1ccc(SC(F)F)cc1 734977425 RIPVUPYCOVGPKX-UHFFFAOYSA-N 310.344 4.977 30 20 DJED C=C(C)CNC(=S)N(c1ccc(Cl)c(Cl)c1)C(C)C 749767552 JPLOAJRUNLFKBT-UHFFFAOYSA-N 317.285 4.659 30 20 DJED C[C@H]1C/C(=C\c2c(Cl)nc(Cl)n2C)C(=O)c2ccccc21 751535409 KFZXFCOLTWVKKS-WKMLFNHBSA-N 321.207 4.500 30 20 DJED O=C1/C(=C\c2ccc(Cl)nc2)CCc2ccc(Cl)cc21 761206140 OIUOHHUMUHPOMI-GHXNOFRVSA-N 304.176 4.601 30 20 DJED N#CCCN(Cc1ccco1)Cc1ccccc1-c1ccccc1 768153895 OUBCSGUJZCTFBS-UHFFFAOYSA-N 316.404 4.862 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1nccc2ccccc12 768333585 GLOXFTDEELGITR-UHFFFAOYSA-N 315.420 4.517 30 20 DJED C#CCCCCC(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 773233206 LNOJGIJTLXYYFR-SFHVURJKSA-N 319.448 4.517 30 20 DJED O=C1/C(=C\c2coc(-c3ccccc3)n2)CCc2ccc(F)cc21 776191504 DFTAHGLWWUFEHC-GDNBJRDFSA-N 319.335 4.693 30 20 DJED C[C@@H](Nc1cc(F)ccc1OC(F)F)c1ccc(C#N)c(F)c1 777233961 SJRUWXRTNGIZPY-SECBINFHSA-N 324.277 4.611 30 20 DJED O=C1/C(=C/c2ccc3cnccc3c2)CSc2ccccc21 782303628 NJPYFYSAJZMPSC-MHWRWJLKSA-N 303.386 4.607 30 20 DJED Cn1c(NN=C2CC(c3ccc(Cl)cc3)C2)nc2ccccc21 783829230 ZEWYGZZDJRDPMH-UHFFFAOYSA-N 324.815 4.572 30 20 DJED COc1ccc(C(=O)/C=C\c2cc(Cl)cs2)c(C)c1OC 794739442 PTVXTBRFBFQYAB-XQRVVYSFSA-N 322.813 4.623 30 20 DJED C#CCCCCCC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 798013161 GMMLMEKACHRUEO-XJKSGUPXSA-N 324.251 4.549 30 20 DJED C=C(C)CNC(=S)N(CC=C(C)C)Cc1ccc(Cl)cc1 798387050 YZDLWEYDTXHAGQ-UHFFFAOYSA-N 322.905 4.559 30 20 DJED N#C[C@H]1CC[C@@H](Nc2ccc3cc(Br)ccc3c2)C1 799734846 OYLPPFWUMLHPHJ-XHDPSFHLSA-N 315.214 4.706 30 20 DJED C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(Cl)cc1O 841747627 CXROCODDQRQKEL-SUMWQHHRSA-N 314.816 4.741 30 20 DJED C=CC[C@H](NCc1ccsc1C(F)(F)F)c1ccncc1 862281481 ZXEYXWPMPJYHLB-ZDUSSCGKSA-N 312.360 4.569 30 20 DJED O=C(/C=C\c1cccs1)c1ccc(N2CCCCC2)c(F)c1 916128786 BXSAWWVDANJQEC-CLFYSBASSA-N 315.413 4.774 30 20 DJED N#Cc1ccc(OCCCNc2ccc3ccccc3c2)cc1 917803151 QKTRHWGYCKGQTQ-UHFFFAOYSA-N 302.377 4.592 30 20 DJED Cc1ccccc1CC(C)(C)Nc1nc(C(C)(C)C)ccc1C#N 1185677540 XXTOTSBQAOGFNO-UHFFFAOYSA-N 321.468 4.992 30 20 DJED Cc1cccc([C@H](NCCc2ccc(C#N)cc2)C(C)(C)C)c1 1192718601 DIROMGRYZNUKJE-FQEVSTJZSA-N 306.453 4.786 30 20 DJED CCC[C@H](CC)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1264129615 SJYNWUHTYXHJHA-RYUDHWBXSA-N 304.459 4.509 30 20 DJED C[C@H](c1ncc(-c2ccc(Cl)c(Cl)c2)o1)N(C)CCC#N 1319415164 TYXMHAMCTSFNQR-SNVBAGLBSA-N 324.211 4.555 30 20 DJED CC(C)(CCc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 1322895238 VVAVNQJTBHRLGM-UHFFFAOYSA-N 317.392 4.519 30 20 DJED CC(C)Cc1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)cc1 1357211982 GWSKYNIJOJRCGD-HXUWFJFHSA-N 320.436 4.660 30 20 DJED C[C@@H]1CC[C@@H](C(=O)Nc2cc(C(C)(C)C)sc2C#N)C[C@H]1C 1458455799 REQGCZCRCUJNLS-JHJVBQTASA-N 318.486 4.928 30 20 DJED Cc1ccc2sc(COc3cc(Cl)cc(C#N)c3)nc2c1 1473039371 DNMCKQQHEKDPCH-UHFFFAOYSA-N 314.797 4.709 30 20 DJED Cc1cc(C)c2c(c1)N(Cc1ccc(Cl)cc1C#N)CCC2 1473256121 PVDBHPRSBWDCBO-UHFFFAOYSA-N 310.828 4.781 30 20 DJED CC1(C)CC(CNCc2cccc(F)c2C#N)CC(C)(C)C1 1474622295 SNLNJYCDHQJMJV-UHFFFAOYSA-N 302.437 4.639 30 20 DJED CCCCN(C(=O)c1ccc(C#N)cc1F)[C@@H]1CCC[C@@H](C)C1 1527350534 CWWUXPQDHJUCOP-GDBMZVCRSA-N 316.420 4.518 30 20 DJED CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1cc(C(C)(C)C)sc1C#N 1535488857 REKHTPMNXAGKCT-DIFFPNOSSA-N 304.459 4.538 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H]2CCC[C@@H](C)C2)n1 1559352171 CAHKACPPZIZLIC-MWLCHTKSSA-N 314.376 4.951 30 20 DJED Cc1cccc(COc2ccc([C@@H](C)N[C@H](C)CCC#N)cc2)c1 1559679327 ICASIGJCKUDXNZ-QZTJIDSGSA-N 322.452 4.917 30 20 DJED C[C@@H](CCC#N)CN1CCc2cc(Cl)c(Cl)cc2[C@H]1C 1560815099 QMQNAPZBQRDABW-NWDGAFQWSA-N 311.256 4.852 30 20 DJED CC[C@H]1CC[C@H](C(=O)N(c2cccc(C#N)c2)C2CCC2)CC1 1586228479 NZDXXNPQKYYVKQ-JCNLHEQBSA-N 310.441 4.660 30 20 DJED N#Cc1c(F)cccc1NCC1(Cc2ccccc2)CCCC1 1612200182 VYXLZIMAMDMESG-UHFFFAOYSA-N 308.400 4.912 30 20 DJED CC[C@@H](C)c1ccc(C(=O)Nc2ccc(Cl)cc2C#N)cc1 1617556193 AWPXXLKXRSQQLG-GFCCVEGCSA-N 312.800 4.977 30 20 DJED Cc1cc(F)c2c(c1)CCCN2Cc1ccc(Cl)cc1C#N 1642089895 YTSKALORBINBQY-UHFFFAOYSA-N 314.791 4.612 30 20 DJED CC[C@@H]1CN(Cc2ccc(C#N)s2)CC[C@@H]1c1ccccc1 1644758376 BCHMJUSJWIXFQV-BEFAXECRSA-N 310.466 4.635 30 20 DJED CC(C)C1CCC(Nc2nc(C(F)(F)F)ccc2C#N)CC1 1651623175 YVTOAGIXWRILNY-UHFFFAOYSA-N 311.351 4.599 30 20 DJED N#CCC1(CN2CCC[C@H](Cc3csc4ccccc34)C2)CC1 1658143545 VDDWYMASHBNNTH-MRXNPFEDSA-N 324.493 4.850 30 20 DJED C[C@H](CCC#N)CN(Cc1ccc(F)cc1F)C1CCCC1 1658927298 KZGSZWMSCLHNDA-CQSZACIVSA-N 306.400 4.649 30 20 DJED CC(=NNc1cccc(C(=O)O)c1C)c1cccc(CC(C)C)c1 1776087905 DQWDNSMTILKPAN-UHFFFAOYSA-N 324.424 4.728 30 20 DJED C=C[C@@H](CC(=O)Nc1cccc2cnccc12)c1ccccc1 89485330 DNHSJVWKGTYZIZ-HNNXBMFYSA-N 302.377 4.533 30 20 DJED N#CCC[C@@H](NC(=O)Nc1ccccc1Cl)c1ccccc1 163538055 NFCAOTYJXZKAFB-OAHLLOKOSA-N 313.788 4.507 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)C(C)(C)c2ccc(F)cc2)cc1 170866776 YLEVQSXBRYDSOA-UHFFFAOYSA-N 324.399 4.543 30 20 DJED CC[C@H](NCc1ccc(OCC#N)cc1)c1ccc(Cl)s1 180551649 AOLGIVFKQZDBDO-AWEZNQCLSA-N 320.845 4.545 30 20 DJED CCCCOc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1 181520259 UYJJYPJEYNSGEG-MRXNPFEDSA-N 308.425 4.588 30 20 DJED CCCCC[C@H](CC)C(=O)Nc1ccccc1O[C@H](C)C#N 182076313 QWSOUAFYXDJDQZ-CABCVRRESA-N 302.418 4.522 30 20 DJED CSc1ccc(C)c(N[C@@H](C)c2ccc(OCC#N)cc2)c1 272018451 MVUSPNQIDKYQHQ-AWEZNQCLSA-N 312.438 4.792 30 20 DJED CC[C@H](C)[C@@H](C)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 303182451 KNFJVTWKQVVKRA-LSDHHAIUSA-N 322.408 4.515 30 20 DJED CC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cc(F)ccc1F 353274230 OEAXPGIJTFMPSU-RBUKOAKNSA-N 312.363 4.565 30 20 DJED C=C(C)C(C)(C)C(=O)N1CC=C(c2ccccc2Cl)CC1 424756010 CYOGOOVKGPGOSS-UHFFFAOYSA-N 303.833 4.558 30 20 DJED CC(C)(C)CSCC(=O)c1cn(CCC#N)c2ccccc12 440588536 ADPRNUYUWMNVKX-UHFFFAOYSA-N 314.454 4.517 30 20 DJED CCN(Cc1c[nH]c2ccccc12)[C@H](C)c1ccc(C#N)cc1 442879690 BNUVBUVUDVIAHE-OAHLLOKOSA-N 303.409 4.623 30 20 DJED CC1(C#N)CCC(N[C@H](c2ccccc2)c2ccc(F)cc2)CC1 449102993 NJDFLOOPLWDTAU-NYLDSWQDSA-N 322.427 4.977 30 20 DJED CC(C)(CN[C@H]1CCC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 463280970 FMJKCHHBMWQCPM-CJNGLKHVSA-N 324.390 4.655 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@@H]1CC12CCCC2 474364016 ZCLXNWQSBLXJGP-HNNXBMFYSA-N 322.433 4.806 30 20 DJED Cc1csc(C(=O)Nc2sc(C)c(C)c2C#N)c1Cl 485627727 DCBUJBSEFNFSKA-UHFFFAOYSA-N 310.831 4.512 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc(C)cc1OCC)c1ccccc1 488630950 RISIZTQIDIOATK-QGZVFWFLSA-N 309.409 4.692 30 20 DJED Cc1cc(CN[C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)ccc1C#N 500431485 XTWOXBJOWLABQT-LIRRHRJNSA-N 310.828 4.545 30 20 DJED CO[C@@H](CSc1cccc(C#N)c1)c1ccc(Cl)cc1 509075560 RCTVENKAHYDRER-INIZCTEOSA-N 303.814 4.691 30 20 DJED C=CC1CCN(C(=O)Nc2ccccc2Oc2ccccc2)CC1 522071078 ZQMIZYRMGWWVOC-UHFFFAOYSA-N 322.408 4.909 30 20 DJED Cc1cc(N2CCCC[C@@H]2C)ccc1NCc1ccc(C#N)cc1 532744016 CQLZWWZQOGJPPI-KRWDZBQOSA-N 319.452 4.858 30 20 DJED C=CC[C@H](C)N[C@H](CSC)c1ccc(C(F)(F)F)cc1 542845852 BXKKCTKBILLWTN-SMDDNHRTSA-N 303.393 4.664 30 20 DJED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2ccccc2)cc1Cl 545969132 IPEQDIDAZLYGBF-GOSISDBHSA-N 324.811 4.579 30 20 DJED CC(C)COc1ccc([C@@H](C)NCC(C)(C)CCC#N)cc1 554068286 ZSYNOTJJAVTVOX-MRXNPFEDSA-N 302.462 4.702 30 20 DJED N#Cc1cnccc1/C=C\c1csc(-c2ccc(Cl)cc2)n1 556779172 ORFGJENJQVVKBN-UTCJRWHESA-N 323.808 4.901 30 20 DJED Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)CCCCCC#N)cc1 588649813 MCSDIMVYVVDZLD-OALUTQOASA-N 312.457 4.564 30 20 DJED C=CCN(Cc1ccccc1)C(=O)[C@H](C)c1ccc(CC)cc1 589899072 PTQROMXKPSYAAC-QGZVFWFLSA-N 307.437 4.567 30 20 DJED C[C@H](N[C@H]1CC(C)(C)Oc2ccc(F)cc21)c1ccc(C#N)cc1 593717604 DMEVIKHZRROVCS-UGSOOPFHSA-N 324.399 4.650 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc(OCC2CC2)cc1 606947579 BKURLEZGJQXZSC-UHFFFAOYSA-N 316.445 4.686 30 20 DJED N#Cc1ccc(CSc2ccc([N+](=O)[O-])cc2F)c(Cl)c1 618962778 FWMPKKNEVXNPPG-UHFFFAOYSA-N 322.748 4.551 30 20 DJED C=C(CNC(=O)Nc1ccc(OC(C)C)cc1C)c1ccccc1 672646226 ASACRYWHYANNJS-UHFFFAOYSA-N 324.424 4.617 30 20 DJED CCCCCC[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 742057156 PKMCCLFMIXDRAJ-KRWDZBQOSA-N 300.446 4.848 30 20 DJED CC(=NNc1ccc(Cl)nc1)c1cccc(Cl)c1Cl 743449898 CGFSRQMVNLQILO-UHFFFAOYSA-N 314.603 4.878 30 20 DJED CCSc1ccc(C(=O)/C=C/c2ccc(OC)c(C#N)c2)cc1 755605419 XODYPMJCETUATF-ONNFQVAWSA-N 323.417 4.575 30 20 DJED Cc1cc(Cl)ccc1NCc1ccc(N(C)CCC#N)cc1 762599907 SJIUTUYNOLNZHI-UHFFFAOYSA-N 313.832 4.610 30 20 DJED C=C(Cl)COc1ccc([C@H](C)NCCCC(F)(F)F)cc1 766352575 GZQYMIZHWAIDAL-LBPRGKRZSA-N 321.770 4.811 30 20 DJED CCCn1nc(C)c(/C=C2/C(=O)c3cccc(C)c3[C@@H]2C)c1C 766696894 XKMGMMWBZKLVLN-VVBXCHJUSA-N 308.425 4.602 30 20 DJED CC(C)(C#N)CCCN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767876501 PSGHRGQFVJBREA-OAHLLOKOSA-N 324.390 4.825 30 20 DJED CCc1ccc(C(=O)/C=C\c2cccc(-c3cccnc3)c2)o1 768490032 LZLBHECPDYFUHC-NTMALXAHSA-N 303.361 4.800 30 20 DJED C#CCCCCC(=O)Nc1ccc(Oc2ccccc2)cc1OC 773480282 BEUYGRXFMCDXQY-UHFFFAOYSA-N 323.392 4.620 30 20 DJED CC(C)Sc1cccc(Cl)c1C=NNc1ccc(F)cn1 786040557 PPAIKLZVZRXLEV-UHFFFAOYSA-N 323.824 4.821 30 20 DJED Cc1c(C(=O)/C=C/c2cc3ccccc3o2)cnn1C(C)(C)C 787187201 ZDMAZQZJYYNFKT-MDZDMXLPSA-N 308.381 4.589 30 20 DJED C#CCC1(C(=O)N[C@@H](C)c2cc(C)sc2C)CCCCC1 788157864 VJBXWTQYHUEUIU-AWEZNQCLSA-N 303.471 4.516 30 20 DJED C=C(C)COc1cccc(NC(=S)Nc2ccsc2)c1 790313528 BPKPIWWXMOTDQJ-UHFFFAOYSA-N 304.440 4.512 30 20 DJED CC[C@H](C)Sc1ccc(NC(=O)c2ccc(C#N)o2)c(C)c1 794262473 WAECSUXWXXWTQM-LBPRGKRZSA-N 314.410 4.603 30 20 DJED C=CCC[C@@H](NCCCSc1nccs1)c1ccco1 796770535 CVVWOOXTDSFPSM-CYBMUJFWSA-N 308.472 4.515 30 20 DJED C[C@@H](CC(=O)OCC(C)(C)CCC#N)c1c[nH]c2ccccc12 798878439 BQAIMGKLGHMUBU-AWEZNQCLSA-N 312.413 4.535 30 20 DJED CC(CC(C)(C)c1c[nH]c2ccccc12)=NOCC(F)(F)F 799483985 ZUBKICXMJMDKLM-UHFFFAOYSA-N 312.335 4.790 30 20 DJED Cc1ccc(SC[C@H](C)Nc2nc(Cl)c(C#N)s2)cc1 804621078 HAGVGDXAJBBTDD-JTQLQIEISA-N 323.874 4.569 30 20 DJED CC[C@@H](OC(=O)CCCCCC#N)c1cccc(Cl)c1F 805929274 ZABARAIBXASARL-CQSZACIVSA-N 311.784 4.947 30 20 DJED C=C(CNC(=S)Nc1cccc(Cl)c1C)c1ccccc1 806592445 AOTDIADULSXAIV-UHFFFAOYSA-N 316.857 4.648 30 20 DJED CCCCCCCCCCC(=O)N[C@H]1C[C@@H](C)n2ccnc21 836952572 BPQPZUYVTGQEBQ-CVEARBPZSA-N 305.466 4.536 30 20 DJED CCCCCCCCCN(C)C(=O)c1ccc(C(F)F)nc1 846830890 IPLWNUXCIUSVSJ-UHFFFAOYSA-N 312.404 4.842 30 20 DJED Cc1cccc([C@@H](C)[S@@](=O)CCCCC2(C#N)CCC2)c1 899394325 GKVSLHAIXVXHKE-IERDGZPVSA-N 303.471 4.669 30 20 DJED Cc1[nH]c2ccccc2c1C(=O)/C=C/c1ccc(O)c(Cl)c1 921266587 ZJNACPDRDLSUFV-VQHVLOKHSA-N 311.768 4.731 30 20 DJED CCc1ccc([C@H](C)C(=O)O[C@@H](C)c2cccc(C#N)c2)cc1 1127021700 UWVPRLZHWHAXIV-GJZGRUSLSA-N 307.393 4.529 30 20 DJED Cc1ccnc(NCC(C)(C)CCCc2ccccc2)c1C#N 1162536606 JWJJEIMJHSLRHB-UHFFFAOYSA-N 307.441 4.723 30 20 DJED CC[C@H]1c2ccccc2CN1c1nc(C(C)(C)C)ccc1C#N 1164310784 VQWFBZNBOCPOEJ-KRWDZBQOSA-N 305.425 4.722 30 20 DJED Cc1cc(N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)ncc1C#N 1184915633 AIZKTVGYLCWFMZ-LJQANCHMSA-N 319.452 4.901 30 20 DJED CC(C)CC[C@H]1CCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 1214367696 FGOYXFXNVGLNEW-OAHLLOKOSA-N 319.836 4.644 30 20 DJED C/C(=C/Cl)CSCc1ccc(Br)cc1C#N 1307334635 VIRCLIHANQNZMI-UITAMQMPSA-N 316.651 4.697 30 20 DJED Cc1cc(CN[C@H]2CCC[C@H](C#N)C2)ccc1-c1ccccc1 1308707401 VUTFLUZOSCHWLF-PXNSSMCTSA-N 304.437 4.834 30 20 DJED C[C@H](CSc1ccccc1)c1nnc(-c2ccc(C#N)cc2)o1 1327885925 TZNABUWVWHCOSO-CYBMUJFWSA-N 321.405 4.504 30 20 DJED CC[C@@H](NCc1cccc(C(F)F)c1)c1cccc(C#N)c1 1334814078 SMFKDXLQGBOKPM-QGZVFWFLSA-N 300.352 4.737 30 20 DJED C[C@H](CC1CCCCC1)C(=O)[C@H](C#N)c1nc(C2CC2)cs1 1344837172 PYLSEQBQLZHHOK-DOMZBBRYSA-N 316.470 4.803 30 20 DJED C[C@@H]1CCCC[C@@H]1C(=O)N(Cc1ccco1)c1ccccc1C#N 1354099530 OBLDXQASELQZHN-QAPCUYQASA-N 322.408 4.511 30 20 DJED CC(C)[C@H]1CC[C@H](C(=O)N(CCC#N)c2ccc(F)cc2)CC1 1443374882 XEGIQBBVSUVWAF-WKILWMFISA-N 316.420 4.535 30 20 DJED CC[C@H](OC(=O)c1ccc(C#N)cc1)c1c(F)cccc1Cl 1457941797 MUELUQIWQLURGB-HNNXBMFYSA-N 317.747 4.659 30 20 DJED C[C@H]1CCN(c2nc(C(C)(C)C)ccc2C#N)[C@H](c2ccco2)C1 1472706161 HYQYBAPAETUYDN-HOCLYGCPSA-N 323.440 4.821 30 20 DJED N#Cc1cc(F)cc(NC(=O)c2sccc2-c2ccccc2)c1 1535371355 CJPWKHUXNDNVBR-UHFFFAOYSA-N 322.364 4.678 30 20 DJED C=C(CNC(=O)N(C)C1CCC(CCC)CC1)c1ccccc1 1564882061 KBFWXXHCVGVWIQ-UHFFFAOYSA-N 314.473 4.700 30 20 DJED C[C@@H]1CC(C(=O)Nc2cc3ccccc3cc2C#N)C[C@@H](C)C1 1597220986 IRGPIRHLKSAQOZ-KBPBESRZSA-N 306.409 4.722 30 20 DJED CCN(Cc1cc(Cl)ccc1OCC#N)c1ccccc1C 1616246871 DIHBGIYUXJJJPE-UHFFFAOYSA-N 314.816 4.577 30 20 DJED C[C@H](CC(C)(C)C#N)N[C@H]1CC=C(c2ccc(F)cc2)CC1 1621200624 ONFPSQSIMNCKRN-KDOFPFPSSA-N 300.421 4.680 30 20 DJED Cc1c(CN2CCC[C@@H](CC#N)C2)sc2c(Cl)cccc12 1621435680 HKOQXJVYZINRCN-ZDUSSCGKSA-N 318.873 4.989 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(SCC2(C)CCC2)n1 1643600628 XGJQUBWNDIRLLB-UHFFFAOYSA-N 300.349 4.563 30 20 DJED N#CC1(CCN2CCS[C@H](c3ccccc3)C2)CCCCC1 1643718777 NTRYURNJEMAJEY-SFHVURJKSA-N 314.498 4.641 30 20 DJED Cc1nsc(NCc2ccc(Oc3ccccc3)cc2)c1C#N 1651467950 UPFHFRCHLXOPKZ-UHFFFAOYSA-N 321.405 4.728 30 20 DJED N#CCc1cccc(Nc2nc3c(F)cc(Cl)cc3s2)c1 1651858011 HSQNRPZCDFYWAW-UHFFFAOYSA-N 317.776 4.898 30 20 DJED CCc1nc(C(C)C)ccc1COc1cc(Cl)ccc1C#N 1651876902 YFBGZHNWNRNQHN-UHFFFAOYSA-N 314.816 4.871 30 20 DJED N#Cc1c(F)cccc1OCCc1c(Cl)cccc1Cl 1656388971 IAXBUHDNOCFACN-UHFFFAOYSA-N 310.155 4.626 30 20 DJED CCC[C@@H](Cc1ccccc1)NCc1ccc(C#N)c(Cl)c1 1659577064 QKRXDKRNEQNYIN-SFHVURJKSA-N 312.844 4.713 30 20 DJED N#Cc1ccc(CN[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 1662656833 BKJBNUYDQTURAV-IEBWSBKVSA-N 310.828 4.638 30 20 DJED O=C(O)/C=C\c1ccc(/C=C/C(=O)c2ccc(C3CC3)cc2)cc1 1777623837 BIKMJENJWZKKIL-LSMSNJBFSA-N 318.372 4.558 30 20 DJED Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)c1 6472531 RRJJHLBBZXIIMC-UHFFFAOYSA-N 324.449 4.758 30 20 DJED N#Cc1ccc(CSc2ncc(-c3ccc(F)cc3)o2)cc1 10714663 RXFZWAIHTDGJLG-UHFFFAOYSA-N 310.353 4.645 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)CCSc2ccccc2)cc1 25837829 VSYAOWAFJZEYNU-UHFFFAOYSA-N 324.449 4.609 30 20 DJED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1 41535934 DPISFDURKMFYCZ-MRXNPFEDSA-N 318.401 4.609 30 20 DJED N#Cc1ccc(NCc2cccc(Br)c2)c(Cl)c1 62791045 NMWZGTAKZUAXDN-UHFFFAOYSA-N 321.605 4.586 30 20 DJED CCCn1ccc2cc(NC(=O)Nc3ccc(C#N)cc3)ccc21 63813355 QVIVBVJUBAPQSI-UHFFFAOYSA-N 318.380 4.567 30 20 DJED C=CCOc1ccccc1CN[C@@H](C)c1ccc2ccccc2n1 178089814 GAHRSEDOYYCYJL-INIZCTEOSA-N 318.420 4.650 30 20 DJED Cc1cnc(CNc2cccc(Oc3ccc(C#N)cc3)c2)s1 179960893 ZQMIXLZWQVLKIC-UHFFFAOYSA-N 321.405 4.728 30 20 DJED C[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccc(F)cc1F 181589367 XRUYYBLGYSTXMW-CYBMUJFWSA-N 314.379 4.617 30 20 DJED CCOc1ccccc1[C@H](CC)N[C@@H](C)c1cccc(C#N)c1 181647988 MOCPGKNMGOHDMH-KXBFYZLASA-N 308.425 4.759 30 20 DJED N#CCC(=O)Nc1ccccc1-c1ccc(-c2ccccc2)cc1 185564712 VKCARWGGTSILHE-UHFFFAOYSA-N 312.372 4.873 30 20 DJED N#Cc1ccc(Oc2ccc3c(c2)CCC3)cc1Br 228200660 VSKWKKRCFPYAQF-UHFFFAOYSA-N 314.182 4.602 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NC/C=C/c1ccc(F)cc1 277278194 LUFBBMSQRBXQRW-DVBCCOPCSA-N 321.436 4.632 30 20 DJED C[C@H]1C[C@@H]1c1ccc(CN(Cc2ccc(F)cc2C#N)C2CC2)o1 303234422 ZRJMLRCYDQMJQD-DJJJIMSYSA-N 324.399 4.578 30 20 DJED C[C@@H]1C[C@H](C(O)=Nc2ncc(C3CCCCC3)s2)CCC1=O 329302415 NKGZBMOAMBOYET-DGCLKSJQSA-N 320.458 4.784 30 20 DJED CC1CCC(c2noc(C[C@H](CC#N)c3ccccc3)n2)CC1 346277753 QDMGNZNSEXLHBX-PREGVCBESA-N 309.413 4.603 30 20 DJED C=CCCC1(C(=O)Nc2ccc(Oc3ccncc3)cc2)CC1 355465997 OTBLTYCHJCQELS-UHFFFAOYSA-N 308.381 4.559 30 20 DJED N#Cc1ccc(/C=C/c2ccc(Cl)c(C(F)(F)F)c2)nc1 409719146 JDVRIYREXONCQD-DAFODLJHSA-N 308.690 4.796 30 20 DJED CCCC[C@H](C)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 409994482 SUZXMLMRWUPQHZ-GWCFXTLKSA-N 313.228 4.501 30 20 DJED Cc1c(F)cccc1C(=O)Nc1cc(C(C)(C)C)sc1C#N 421503727 ZEDYVDACQWFLNO-UHFFFAOYSA-N 316.401 4.617 30 20 DJED Cc1cc2c(cc1C)[C@H](NCc1ccc(C#N)s1)CCS2 421879073 MTGCJAZXJJCANV-MRXNPFEDSA-N 314.479 4.563 30 20 DJED C=CCC[C@@H](NC(=O)c1ccoc1)c1ccc(C(F)(F)F)cc1 441550007 ITGCOBYNZZABNZ-OAHLLOKOSA-N 323.314 4.736 30 20 DJED C=CCCCCCN(C)C(=O)c1c[nH]cc1-c1ccc(F)cc1 461058855 PAYSHQVCOLIHNL-UHFFFAOYSA-N 314.404 4.639 30 20 DJED C=CCNC(=O)c1c(F)cccc1Sc1ccc(Cl)cc1 463327595 NUHKMOKBLNDLJT-UHFFFAOYSA-N 321.804 4.546 30 20 DJED CC(C)Oc1ccc(-c2cccc([C@@H](C)N(C)CC#N)c2)cc1 470157842 SNMVQNPIRYKMJZ-MRXNPFEDSA-N 308.425 4.657 30 20 DJED C[C@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)c2ccccc21 474958599 VXWTVGDVARTSET-HNNXBMFYSA-N 318.420 4.642 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1cc(C)ccc1Cl 475032845 IHZAVSUPCLFLCE-UHFFFAOYSA-N 314.816 4.869 30 20 DJED CCCCC[C@@H]1CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 476384908 FYILXTMTOWTBQY-GOSISDBHSA-N 312.457 4.673 30 20 DJED C=C(C)CN(CC)C(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1 478886763 PWBJJALDRLDULY-UHFFFAOYSA-N 311.212 4.513 30 20 DJED C=CCCCC(=O)N(Cc1ccccc1)Cc1ccc(OC)cc1 479766084 PBPYCWDFAYQNDS-UHFFFAOYSA-N 323.436 4.580 30 20 DJED C=CCCCC(=O)N(Cc1ccc(F)cc1F)C1CCCC1 480880420 VULPPOKJHYFVQW-UHFFFAOYSA-N 307.384 4.592 30 20 DJED N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccsc1Cl 483263067 CCZHWIHYVKCYEA-JKSUJKDBSA-N 316.857 4.673 30 20 DJED C=CCN(CC1CCCCC1)C(=O)N[C@@H](CC)c1cccs1 483905001 ISEUFECTIMBBJK-INIZCTEOSA-N 320.502 4.977 30 20 DJED C=CCC[C@@H](C(=O)Nc1ccc(OC)c(F)c1)c1ccccc1 488675968 OEQOEPJZXUPHRJ-MRXNPFEDSA-N 313.372 4.523 30 20 DJED CCCN(Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1OC 508616707 VZZNDNMOKPDDBD-INIZCTEOSA-N 308.425 4.540 30 20 DJED N#Cc1ccc(N[C@@H](c2ccc(Cl)cc2)C2CCCC2)nc1 511385827 SZRSPDYEQHDDDL-GOSISDBHSA-N 311.816 4.950 30 20 DJED C=CCN(CC=C)C(=O)[C@H](C)S[C@H](CC)c1ccc(F)cc1 523389410 RQBHDZPRKKKXOL-WMLDXEAASA-N 321.461 4.599 30 20 DJED C=CCNC(=O)Nc1cccc(CSC2CCCCC2)c1 523986866 OSBPINPCKFNLKF-UHFFFAOYSA-N 304.459 4.560 30 20 DJED N#CCc1ccc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)cc1 533933881 YEFOSFUGIBUGGK-HXUWFJFHSA-N 324.468 4.718 30 20 DJED Cc1cccc([C@@H](NCc2ccc(F)c(C#N)c2)C(C)(C)C)c1 539338221 UCUDGKOXXVKZEP-LJQANCHMSA-N 310.416 4.883 30 20 DJED C=CC[C@@H](C)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C 540170702 TVKMRKGXZZVOBD-VXGBXAGGSA-N 304.434 4.873 30 20 DJED C[C@@H](NCCC(C)(C)C#N)C(c1ccccc1)c1ccccc1 542555563 GTKHWYMWDUFJMW-QGZVFWFLSA-N 306.453 4.736 30 20 DJED CC(C)CCSCC(=O)Nc1cc(C(C)(C)C)sc1C#N 552703127 KAXBSNYUVDGCNL-UHFFFAOYSA-N 324.515 4.635 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 603519073 QCVXJASASSLTFT-MOPGFXCFSA-N 324.468 4.535 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cccc(OC(F)F)c1 611466589 TZIRHKMYRXUUQM-KRWDZBQOSA-N 314.335 4.649 30 20 DJED CC(C)(C)c1ccc(C#N)c(N[C@H]2CSc3ccccc32)n1 613426275 CDOYHZLCABMYQB-AWEZNQCLSA-N 309.438 4.510 30 20 DJED C=CCOc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1Cl 727263672 DVLOZBAOZIINEU-OQFOIZHKSA-N 314.768 4.507 30 20 DJED Cc1cc(C)cc(C(=O)/C=C/c2cccc(OCCCC#N)c2)c1 730436337 ICGOTSZKVILLMD-CMDGGOBGSA-N 319.404 4.882 30 20 DJED O=C(/C=C\c1cccc(F)c1F)c1ccc(Br)cc1 730732944 SANQWZBVBXDCFQ-TWGQIWQCSA-N 323.136 4.623 30 20 DJED Cc1cccc(C)c1CON=Cc1ccccc1Br 738288718 KCPIUOSYCHXUKK-UHFFFAOYSA-N 318.214 4.617 30 20 DJED CCCCCCCC(C)=NNc1oc(C(C)(C)C)nc1C#N 746497590 ATKBLEGBQWSXQP-UHFFFAOYSA-N 304.438 4.992 30 20 DJED CCCCCCCC(=O)Oc1cccc(Oc2ncccn2)c1 751196887 SDQLFMPELMFDKW-UHFFFAOYSA-N 314.385 4.535 30 20 DJED CCc1ccc(C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)o1 752237956 LHPSGNXHUXBCTC-VAWYXSNFSA-N 320.392 4.541 30 20 DJED CCc1ccc(C(=O)/C=C\c2coc(-c3ccc(C)cc3)n2)o1 752238515 VCAQUYQHGXGWAF-NTMALXAHSA-N 307.349 4.702 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3)o2)cc1O 755627055 RKOQBPAHRYEUDJ-CLFYSBASSA-N 320.344 4.557 30 20 DJED N#Cc1ccc(C=NNc2c(Cl)cc(F)cc2Cl)s1 767910230 FYSZFNAWJGLIRS-UHFFFAOYSA-N 314.172 4.512 30 20 DJED C#CCC1(C(=O)Nc2ccc(C)c(-c3ncco3)c2)CCCCC1 788454520 TUDYLFLPLKSLEN-UHFFFAOYSA-N 322.408 4.562 30 20 DJED Cc1ncccc1/C=C/C(=O)c1ccc(OC(C)C)c(Cl)c1 789157440 LSEIIXKDUCIGCK-SOFGYWHQSA-N 315.800 4.727 30 20 DJED CC[C@@H](CN(CC)C(=O)c1ccc(C)c(C#N)c1)c1ccccc1 799370735 VHUFXHNXHGEEFH-KRWDZBQOSA-N 320.436 4.523 30 20 DJED C=CC[C@@H](NC/C(C)=C\c1ccccc1COC)c1ccncc1 814293082 DORSOCQKFXKATN-RUDRXDDOSA-N 322.452 4.538 30 20 DJED Clc1cnc(C=NN(c2ccccc2)c2ccccc2)s1 814685612 LDQLVRHJNFTNQG-UHFFFAOYSA-N 313.813 4.969 30 20 DJED FC(F)(F)c1cccc(NN=C2CC[C@@H](c3ccccc3)C2)n1 814853168 FZJTXPYJJFNQFF-CYBMUJFWSA-N 319.330 4.836 30 20 DJED N#CC1(CCOC(=O)c2c(F)cccc2Cl)CCCCC1 840012394 REDWSZLMDNWQMO-UHFFFAOYSA-N 309.768 4.500 30 20 DJED N#C[C@H](C(=O)C1CCCCCCC1)c1nc(C2CC2)cs1 842940248 ABEWNUOEJYZLSG-CQSZACIVSA-N 302.443 4.557 30 20 DJED Cc1c(C(=O)/C=C\c2ccc3c(c2)CCO3)oc2ccccc12 917519447 OEKMDIDNXWBHAL-VURMDHGXSA-N 304.345 4.572 30 20 DJED O=C(CC#Cc1ccccc1)N1CCCCC[C@H]1c1ccccc1 1116271229 KFTPLKJNODRBIK-NRFANRHFSA-N 317.432 4.572 30 20 DJED CC(C)C[C@H](Nc1ccc(OCC#N)cc1)c1cccs1 1116495775 DVOMTSRXBAAXQB-INIZCTEOSA-N 300.427 4.850 30 20 DJED CCC(C)(C)c1ccc(C(=O)Nc2cc(C#N)ccc2NC)cc1 1155482271 ZQASOWGOAQMVPZ-UHFFFAOYSA-N 321.424 4.540 30 20 DJED CCCCC1CCC(CNCc2ccc(OC)c(C#N)c2)CC1 1177483539 WLMPQPRDZLRVLB-UHFFFAOYSA-N 314.473 4.653 30 20 DJED CCOc1ccc(C#N)cc1NC[C@H](C)CCc1ccccc1 1202715287 GYAIUBYDNIAMBX-MRXNPFEDSA-N 308.425 4.638 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)CCCC1CCCCC1 1276284080 PSVQQWRJESDVDX-HXUWFJFHSA-N 324.468 4.802 30 20 DJED C[C@H](CC(C)(C)c1ccccc1)N[C@@H]1CCc2cc(C#N)ccc21 1308738246 RCVULQCZHFFGJD-IIBYNOLFSA-N 318.464 4.892 30 20 DJED CCC[C@H]1CCC[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 1353332744 FYNLLRIGZSTOOD-OALUTQOASA-N 312.457 4.512 30 20 DJED CCCC[C@@H](CC)C(=O)N(CC(C)C)c1ccc(C#N)cc1 1355419936 JPSRIAILWWGNAQ-QGZVFWFLSA-N 300.446 4.764 30 20 DJED N#CC1(CCN(Cc2ccc(F)cc2F)C2CC2)CCCCC1 1459312238 KAMCXJVPNQJAEE-UHFFFAOYSA-N 318.411 4.793 30 20 DJED CCC1(CC)CCCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 1538643360 BXMZWCYFYXETLQ-UHFFFAOYSA-N 318.848 4.644 30 20 DJED CCC(CC)Oc1ccc([C@H](C)OC(=O)[C@](C)(C#N)CC)cc1 1542060752 MPVPPPPWGJNXTE-LIRRHRJNSA-N 317.429 4.798 30 20 DJED N#CCC1(CN[C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 1621294581 JWRQUBKMLPXJPF-NVXWUHKLSA-N 302.849 4.650 30 20 DJED Cc1cc(NC[C@@H]2CCCC[C@H]2c2ccccc2)ncc1C#N 1639916456 QWTZZHBLOLRKSW-HKUYNNGSSA-N 305.425 4.648 30 20 DJED Cc1cc(C#N)ccc1CN1C[C@H]2CCCC[C@]21c1ccccc1 1644801756 FYGWEVFIWRXGGO-YADHBBJMSA-N 316.448 4.768 30 20 DJED Cc1ccnc(N[C@@H](c2ccc(Cl)cc2)C2CCC2)c1C#N 1650735280 NOVBVVFHEZZDKB-QGZVFWFLSA-N 311.816 4.868 30 20 DJED Cc1cc(C)cc(Oc2ccc(Nc3ncncc3C#N)cc2)c1 1651406101 CUPSBRXSNDBWJK-UHFFFAOYSA-N 316.364 4.501 30 20 DJED C[C@H](CC(C)(C)C#N)Nc1ccc(Cl)c(OC(F)F)c1 1652001029 GIPVGYHNAOUUJC-SECBINFHSA-N 302.752 4.682 30 20 DJED Cc1cccc(Cl)c1COc1nc(C(C)(C)C)ccc1C#N 1652909405 QDZMDLICAWRBJV-UHFFFAOYSA-N 314.816 4.792 30 20 DJED Cc1nc(C#N)cc(Nc2cccc(CSC3CCCC3)c2)n1 1655160891 NLZIHTJVJDBRMD-UHFFFAOYSA-N 324.453 4.576 30 20 DJED N#Cc1ccc(CN[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)cc1 1657550040 PRMYWNPBGVAEJL-IEBWSBKVSA-N 310.828 4.638 30 20 DJED N#C[C@H]1CCC[C@@H](Nc2cccc(SC(F)(F)F)c2)C1 1660423540 NVERVPQOVFGBPF-WDEREUQCSA-N 300.349 4.793 30 20 DJED Cc1ccc(Br)c(NCc2ccc(C#N)c(C)c2)c1 1662142250 ZFDAONQTMZIRAU-UHFFFAOYSA-N 315.214 4.550 30 20 DJED CC(C)[C@@H](CN[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 1662682195 WKOMFWWVORAJKL-FGZHOGPDSA-N 318.464 4.965 30 20 DJED CC(=NNc1ccc(C(=O)O)cc1)C1CCC(C(C)C)CC1 1776013907 WGYWXKRKOASMRL-UHFFFAOYSA-N 302.418 4.635 30 20 DJED CC(C)c1ccccc1/C=C1\C[C@H](C(=O)O)c2ccccc2C1=O 1776378094 RCELILDXUUKVFN-LSSBLYJVSA-N 320.388 4.648 30 20 DJED Cc1ccc(C)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 6425962 QSRLCLSROMVFOA-GFCCVEGCSA-N 324.449 4.614 30 20 DJED CCOc1ccc(C#N)cc1N[C@H](C)c1ccc(F)c(Cl)c1 63641568 VOMGHINJQZVZCB-LLVKDONJSA-N 318.779 4.923 30 20 DJED CCCCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 76150778 PVKHYCBNGBTPFZ-UHFFFAOYSA-N 322.408 4.574 30 20 DJED CCCCCCCCCNC(=O)c1oc2c(c1C)C(=O)CCC2 105267345 NODMKZBSKGZRNI-UHFFFAOYSA-N 319.445 4.587 30 20 DJED N#Cc1ccc(SCc2ccc(F)c(Br)c2)cc1 108217489 DRVDBKHBCHUELN-UHFFFAOYSA-N 322.202 4.752 30 20 DJED CC(C)(C)CN(CCC#N)Cc1csc(-c2cccs2)n1 109813706 QHNSCDOAQZSYDX-UHFFFAOYSA-N 319.499 4.633 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)C1(C)CCCCC1 128049821 OIPOZCNAHTUVCR-CQSZACIVSA-N 316.470 4.847 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2ccc(N3CCCCC3)cc2)s1 134496260 RDVILSVTITUZKY-UXBLZVDNSA-N 322.433 4.506 30 20 DJED N#CCCCOc1cccc(N[C@@H]2CCc3cc(F)ccc32)c1 179824610 UZGAUYNMYBMRIA-LJQANCHMSA-N 310.372 4.608 30 20 DJED C[C@H](NCc1ccc(F)cc1C#N)c1ccc(C(F)(F)F)cc1 182457846 MYUMUOXEUBOSNC-NSHDSACASA-N 322.305 4.567 30 20 DJED C[C@@H](Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(C#N)c1 301601549 JHDSQFWRLXDCTL-GFCCVEGCSA-N 323.396 4.994 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CCC[C@@](C)(c2ccccc2)C1 303677634 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CCC[C@@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519993645 FHLZEQVDNXBDRN-CQSZACIVSA-N 308.381 4.725 30 20 DJED CC[C@H](CC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)C 521525573 PVTZFMYMNAWYOM-GFCCVEGCSA-N 304.459 4.509 30 20 DJED C=CCC(C)(C)c1noc(C[C@@H](C)c2c[nH]c3ccccc23)n1 551139475 CKGDJBISRPRQPB-CYBMUJFWSA-N 309.413 4.751 30 20 DJED CC(C)(CCC#N)CNc1c(Cl)cc([N+](=O)[O-])cc1Cl 561697169 LICMCHKZXRADBL-UHFFFAOYSA-N 316.188 4.643 30 20 DJED C=C(C)CN(CC)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 590015649 WGGARVKIFNZKTR-CHWSQXEVSA-N 312.240 4.522 30 20 DJED CCC(CC)N(C(=O)Nc1ccc(CC#N)cc1Cl)C1CC1 590843296 GQYVVKBHGRDVGQ-UHFFFAOYSA-N 319.836 4.591 30 20 DJED CC1(C#N)CCC(Nc2ccc3nc(C(F)(F)F)oc3c2)CC1 592524113 VVPWGUWUAYNXQS-UHFFFAOYSA-N 323.318 4.731 30 20 DJED C[C@H](NCCc1c[nH]c2cc(Cl)ccc12)c1cccc(C#N)c1 611438238 PLTZOEFJTLPNCV-ZDUSSCGKSA-N 323.827 4.586 30 20 DJED N#CCCCOc1cccc(N[C@H]2CCCc3ccc(F)cc32)c1 611468547 VXOLNHNAQFQCMP-FQEVSTJZSA-N 324.399 4.998 30 20 DJED C[C@@H]1CCC[C@H](c2noc(-c3cc4ccccc4n3CC#N)n2)C1 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C=CCN(C(=O)C[C@@H](C)CC)c1nc(-c2ccccc2)cs1 485623241 RVTDHBMLIBDMRJ-AWEZNQCLSA-N 314.454 4.765 30 20 DJED CCCN(C(=O)CC(C)(C)C#N)[C@H](C)c1cc2ccccc2o1 486241605 CLBHBTVOOKUEPY-CQSZACIVSA-N 312.413 4.672 30 20 DJED CC[C@@H](Nc1cccc(F)c1C#N)c1ccccc1OC(F)F 498811079 YUPVBAHVJHBQED-CQSZACIVSA-N 320.314 4.862 30 20 DJED N#Cc1nc(NCCCCCOC2CCCCC2)ccc1Cl 518391513 ARDLFFBTZARQSN-UHFFFAOYSA-N 321.852 4.538 30 20 DJED C[C@H](N[C@H](C)c1c(F)cccc1Cl)c1ccc(C#N)c(F)c1 540707430 BEJVFRPEBBGWQZ-WDEREUQCSA-N 320.770 4.902 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1ncsc1C(C)C 570947341 BQWMGYLVWOANRZ-UHFFFAOYSA-N 321.490 4.867 30 20 DJED C[C@@H](Nc1ccc(Oc2cccnc2)cc1)c1ccc(C#N)cc1 584018516 MOANUFOKFTZWAM-OAHLLOKOSA-N 315.376 4.919 30 20 DJED N#CCc1ccc(C(=O)Nc2cc(C(F)F)ccc2Cl)cc1 584295386 BMLJUKLESFBQQA-UHFFFAOYSA-N 320.726 4.596 30 20 DJED CC(C)c1ccc(C(C)(C)NCc2ccc(C#N)c(F)c2)cc1 616765409 GHBZLTIACDDQCN-UHFFFAOYSA-N 310.416 4.846 30 20 DJED C#Cc1cccc(N(CC)C(=S)Nc2ccc(C)cc2C)c1 728447518 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N#C[C@H](c1ccccc1)N1CCC[C@H](c2ccc(F)cc2)CC1 1168437624 LQERYQBXVOYKPL-OXJNMPFZSA-N 308.400 4.660 30 20 DJED N#Cc1ccc(CN2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)s1 1193574174 DTJHRKVCCDDUHT-ZCNNSNEGSA-N 322.477 4.778 30 20 DJED N#Cc1cc(NC(=O)c2ccc(C3CCCCC3)cc2)ccc1F 1264923766 QYBPYJQBGDUERF-UHFFFAOYSA-N 322.383 4.997 30 20 DJED CC(C)(Cc1ccc(Cl)cc1)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 1275463368 JIRGVVUUSRCGMX-GDBMZVCRSA-N 319.832 4.534 30 20 DJED CC[C@@H]1c2ccccc2CCN1Cc1ccccc1C(C)(C)C#N 1307476101 PKBRFRJLNYYPAU-OAQYLSRUSA-N 318.464 4.997 30 20 DJED C[C@@H](CCC#N)CN[C@@H](c1c(Cl)cccc1Cl)C1CC1 1308804093 YQEAEQJZWBSNRZ-MEDUHNTESA-N 311.256 4.974 30 20 DJED CCc1ccc(C2CCN(Cc3cccc(F)c3C#N)CC2)cc1 1308888898 BPIFVPATMATGEQ-UHFFFAOYSA-N 322.427 4.639 30 20 DJED CCCC[C@@H](CCC)NC(=O)Nc1ccc(C#N)c(Cl)c1 1310043934 LOUGHYCKHJKWGQ-CYBMUJFWSA-N 307.825 4.692 30 20 DJED Cc1cc(C#N)ccc1CN[C@H](C)c1ccc(Cl)c(F)c1 1320444320 XIXGKBSCMYGCQM-GFCCVEGCSA-N 302.780 4.510 30 20 DJED 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Cc1cscc1NC(=O)c1cn(CCCC#N)c2ccccc12 444267098 OYZCDHBDYCGLHM-UHFFFAOYSA-N 323.421 4.567 30 20 DJED CCOc1cc(C)ccc1CN[C@@H](CC)c1ccc(C#N)cc1 447579811 LQMNZSWRUXCPME-IBGZPJMESA-N 308.425 4.506 30 20 DJED CC(=O)CCCCCSc1ccc(C#N)c(C(F)(F)F)c1 450899871 DZPSIVNZSAKLCH-UHFFFAOYSA-N 315.360 4.819 30 20 DJED C=C[C@@](C)(CC)C(=O)N1CC=C(c2ccccc2Cl)CC1 467984474 NYNOIHLLLFEBLA-SFHVURJKSA-N 303.833 4.558 30 20 DJED C=CCCCC(=O)N(Cc1cccs1)c1ccc(OC)cc1 480883223 QEOLHIYACLCOFH-UHFFFAOYSA-N 315.438 4.646 30 20 DJED C=C(C)CCS[C@H](C)c1nc(Cc2ccc(F)cc2)no1 507871646 CNPWQIHRLZFXSK-GFCCVEGCSA-N 306.406 4.560 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[C@H](C)C1 525521275 PQNUXEHOMINSSQ-STQMWFEESA-N 311.878 4.742 30 20 DJED C=C[C@@H](CC(=O)Nc1cccc(C(=O)CC)c1)c1ccccc1 534715032 ASNPNFGKYCMGSL-HNNXBMFYSA-N 307.393 4.578 30 20 DJED C[C@H](NCc1ccc(-c2ccccc2)o1)c1ccc(C#N)c(F)c1 539609607 WSTHBLCXPQOEFL-AWEZNQCLSA-N 320.367 4.808 30 20 DJED N#CCc1ccc(CN[C@@H](c2ccc(F)cc2)C2CCCC2)cc1 543186993 ZUCPIOXXPIDWRV-OAQYLSRUSA-N 322.427 4.913 30 20 DJED C=CCN(C(=O)c1ccccc1SCC=C(C)C)C1CC1 543450490 IGEUVVMTPZXTHD-UHFFFAOYSA-N 301.455 4.536 30 20 DJED C[C@@H](Nc1ccc(F)cn1)c1ccc(-c2cccc(C#N)c2)cc1 565146562 XHLZVPLQRXPPDI-CQSZACIVSA-N 317.367 4.932 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1cccc(Br)c1Cl 566393849 AFDWIJGZBMWXKD-CYBMUJFWSA-N 316.626 4.643 30 20 DJED N#Cc1cc(Cl)ccc1CSCc1cc(C2CC2)no1 596410717 WBCBZDUMHURVKZ-UHFFFAOYSA-N 304.802 4.510 30 20 DJED C=CC[C@@H](C)NC(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1 604978314 UFRUCWXGPKNTNU-CYBMUJFWSA-N 315.363 4.635 30 20 DJED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1sc(C)nc1C 726737404 QNHVVVKQRQFCBA-LBPRGKRZSA-N 315.486 4.958 30 20 DJED O=C1/C(=C\c2ccc(Br)cc2)CCc2sccc21 726891161 GURWCTVOBQESRA-LUAWRHEFSA-N 319.223 4.723 30 20 DJED CC(=NNc1nc2ccccc2[nH]1)c1cccc(Cl)c1Cl 734977530 XBLRGLHCYAQPIU-UHFFFAOYSA-N 319.195 4.706 30 20 DJED CC(=NNc1cccc(Cl)c1)c1cnc2ccsc2c1 739400019 LWTHHSWMSPSLFM-UHFFFAOYSA-N 301.802 4.786 30 20 DJED O=C1/C(=C\c2nccc3ccccc23)CSc2ccc(F)cc21 740763368 AOLLVMDTCCJCRU-LCYFTJDESA-N 321.376 4.746 30 20 DJED C=CCOCCCC(=O)Nc1ccc(-c2ccccc2)cc1C 742529881 QOSUAGVBMXYSMV-UHFFFAOYSA-N 309.409 4.583 30 20 DJED O=C(/C=C\c1coc(-c2ccccc2)n1)c1ccccc1Cl 749886365 MAICGUJTTWALMA-KHPPLWFESA-N 309.752 4.891 30 20 DJED O=C(/C=C/c1cc(F)c(O)c(F)c1)c1cccc2ccccc12 749887395 WMMISKSIWXBAAP-CMDGGOBGSA-N 310.299 4.720 30 20 DJED N#Cc1cccc(C(=O)/C=C\c2ccc(F)c(C(F)(F)F)c2)c1 755589159 ZFCKTVAZOKZVTC-ALCCZGGFSA-N 319.257 4.612 30 20 DJED Cc1oc2ccccc2c1C=NNc1cccc2cnccc12 758121548 ZHRMHWDFAKFGAH-UHFFFAOYSA-N 301.349 4.735 30 20 DJED Cc1c(C(=O)/C=C\c2ccc3c(c2)ncn3C)oc2ccccc12 761201548 WCOGIGRJPDEULI-NTMALXAHSA-N 316.360 4.524 30 20 DJED C[C@@H](C#N)Oc1ccc(CN2CC(C)(C)[C@H]2c2ccccc2)cc1 769087217 ONJAFQGOCPVZFV-OXJNMPFZSA-N 320.436 4.561 30 20 DJED C#CCCCCC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 773290982 DNGHMWOLRNHSBM-UHFFFAOYSA-N 323.411 4.548 30 20 DJED CC(=NOC1CCOCC1)c1ccc(SC2CCCC2)cc1 774452078 JFBJXQIUJJGXJU-UHFFFAOYSA-N 319.470 4.641 30 20 DJED Fc1cccc(C2CC(=NNc3cc(F)c(F)cc3F)C2)c1 781594553 OOCYZHFWZCJAPD-UHFFFAOYSA-N 308.278 4.589 30 20 DJED CC(C)Oc1cccc([C@H](C)OC(=O)C2(C#N)CCCCC2)c1 781667056 AOMMLPLIZAVEKO-HNNXBMFYSA-N 315.413 4.552 30 20 DJED CC(=NOCCCCOC(C)(C)C)c1cc2ccccc2o1 788785579 SDYRBDFLQANYJX-UHFFFAOYSA-N 303.402 4.769 30 20 DJED Cc1nn(C(C)C)cc1/C=C/C(=O)c1oc2ccccc2c1C 798369539 JLSZNUWXZQTGJC-MDZDMXLPSA-N 308.381 4.723 30 20 DJED COc1ccc(OC)c(C(=O)/C=C\c2csc3ccccc23)c1 810197348 VVQMFSZVWCCFET-CLFYSBASSA-N 324.401 4.815 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)n1 835200732 OHRUDRJLDOECDQ-IGQOVBAYSA-N 304.459 4.515 30 20 DJED CC(=NOCc1cccc(F)c1F)c1cc2ccccc2o1 836546774 JYVBTCDLFLIPHT-UHFFFAOYSA-N 301.292 4.652 30 20 DJED Clc1cccc([C@H]2CCCC(=NOC3CCOCC3)C2)c1 841634946 YXVFRHMXENOQJF-AWEZNQCLSA-N 307.821 4.549 30 20 DJED CCCCCC[C@@H](C)C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842941921 ULDROLJIGIIVJU-TZMCWYRMSA-N 304.459 4.803 30 20 DJED C=C1CC(c2noc([C@@H](C)CC(=O)c3ccc(Cl)cc3)n2)C1 896883484 JJSGADCHGFDGCY-NSHDSACASA-N 316.788 4.533 30 20 DJED CCCCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915352373 KQBAUFIISORXAP-IBGZPJMESA-N 321.424 4.654 30 20 DJED O=C(/C=C\c1ccc2c(c1)CCO2)c1ccccc1C(F)(F)F 917517653 UVOZSWIKOWKWMN-ALCCZGGFSA-N 318.294 4.536 30 20 DJED CC(C)c1nnc(-c2ccccc2Sc2ccccc2C#N)o1 1117203025 MAOOTFHRGFLWJW-UHFFFAOYSA-N 321.405 4.883 30 20 DJED C[C@H]1CC(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)C1 1126564147 FLXDRCHCRIEAOV-GHMZBOCLSA-N 324.346 4.588 30 20 DJED C[C@@]1(CCc2ccccc2)CCN(Cc2ccc(F)cc2C#N)C1 1167599655 XMYRNOOCYKAUCO-OAQYLSRUSA-N 322.427 4.542 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CCC(CCc2ccccc2)CC1 1176193410 QUFWRAXICIDUQM-GOSISDBHSA-N 318.464 4.964 30 20 DJED N#C[C@@H](c1ccccc1)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 1193774405 YHQMBHJBTBSHCT-NJYVYQBISA-N 300.405 4.572 30 20 DJED CC(C)CN(C(=O)Nc1scc(C(C)(C)C)c1C#N)C1CC1 1218507421 IEMJFTKUCFDOBF-UHFFFAOYSA-N 319.474 4.570 30 20 DJED Cc1ccccc1[C@@H]1CCCN1Cc1ccc(C#N)cc1Cl 1238082825 NVVFOBKTKBIZBE-IBGZPJMESA-N 310.828 4.857 30 20 DJED C[C@@H](c1ncc(-c2ccc(Cl)c(Cl)c2)o1)N(C)CCC#N 1319415163 TYXMHAMCTSFNQR-JTQLQIEISA-N 324.211 4.555 30 20 DJED C[C@H](OC(=O)c1ccc2ccccc2c1)c1cccc(C#N)c1 1355916110 UIKSMNXQMGJWIP-AWEZNQCLSA-N 301.345 4.629 30 20 DJED CCCCc1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1 1522763291 SEHIGJNFODEITR-UHFFFAOYSA-N 312.800 4.807 30 20 DJED Cc1ccc(C(=O)Nc2ccc(OCCC(C)C)cc2)cc1C#N 1523520676 JGVTYBLNJVAWAY-UHFFFAOYSA-N 322.408 4.544 30 20 DJED C[C@@H]1C[C@H](NCCc2ccc(C#N)cc2)C[C@@H](c2ccccc2)C1 1560530247 BJBOEFOCEKAGEA-HSQYWUDLSA-N 318.464 4.663 30 20 DJED C[C@H]1C[C@@H](C)C[C@H](C(=O)N(c2ccc(C#N)cc2)C2CCC2)C1 1588022188 NMIHQCIDDSCBIE-QLPKVWCKSA-N 310.441 4.516 30 20 DJED Cc1cc([C@H](C)Nc2ncc(Cl)c(C)c2C#N)c(C)s1 1611783317 LHUZOCAPHPPZQK-JTQLQIEISA-N 305.834 4.767 30 20 DJED COc1cc(Cl)c(CNc2cccc(C#N)c2C)cc1Cl 1620954749 FSQPNDGMQOGNCE-UHFFFAOYSA-N 321.207 4.794 30 20 DJED Cc1csc(NC(=O)NCC2(CC(C)C)CCCC2)c1C#N 1624564672 XBMQSHHPRNIPJK-UHFFFAOYSA-N 319.474 4.656 30 20 DJED Cc1nsc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)c1C#N 1639475079 VNGOMLJJJSKYNJ-ZDBHGNHJSA-N 317.845 4.786 30 20 DJED N#CCc1ccc(CN(CC[C@H]2C[C@H]3CC[C@H]2C3)C2CC2)cc1 1644376309 WHNHHLAIXLSWMR-UFYCRDLUSA-N 308.469 4.543 30 20 DJED CSc1ccc([C@H](C)Nc2nc(C)c(C#N)cc2Cl)cc1 1651012975 VSOFSKPGTHIXGZ-JTQLQIEISA-N 317.845 4.810 30 20 DJED CCOc1ccc(C#N)cc1NCc1cccc(Cl)c1Cl 1651184135 WLTQSVJMAQSUPZ-UHFFFAOYSA-N 321.207 4.876 30 20 DJED CCC1CCC(N(Cc2ccc(F)c(C#N)c2)C2CC2)CC1 1652305782 XUBZAXAJCKTSCY-UHFFFAOYSA-N 300.421 4.631 30 20 DJED Cc1ccc([C@H]2[C@@H](C)CCCN2Cc2ccc(F)c(C#N)c2)cc1 1653437659 BQMXLTGANOIKMO-HRAATJIYSA-N 322.427 4.979 30 20 DJED CC[C@@H]1c2ccsc2CCN1Cc1ccc(Cl)cc1C#N 1656976821 NOFQQAMSTSRFBX-MRXNPFEDSA-N 316.857 4.783 30 20 DJED COc1cc(C#N)ccc1CN1CC[C@H](CC(C)(C)C)C1(C)C 1658965424 ORBRZDQWJWXERW-QGZVFWFLSA-N 314.473 4.604 30 20 DJED CCCC(Cc1ccccc1)=NNc1cccc(C(=O)O)c1C 1776086655 GTBQHFNRBQOGKA-UHFFFAOYSA-N 310.397 4.504 30 20 DJED C=CCOc1ccc(/C=C/c2nc3ccccc3o2)cc1OC 23987004 UPZMJDHGFGWHSO-PKNBQFBNSA-N 307.349 4.572 30 20 DJED Cc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1 41535116 YXGMZFDEOUEQTL-INIZCTEOSA-N 318.401 4.609 30 20 DJED N#Cc1ccc(CNc2cccc(N3CCCCCC3)c2)cc1 151494555 IEBQSHLHLDPUSD-UHFFFAOYSA-N 305.425 4.551 30 20 DJED C[C@@H](N[C@H]1CCSc2c(F)cccc21)c1cccc(C#N)c1 178178666 LVFJAEGHQGJLHO-PXAZEXFGSA-N 312.413 4.585 30 20 DJED C=C(C)[C@H](Nc1ncc(C#N)cc1Cl)c1ccc(F)c(F)c1 302332113 AARYFCAYYMPWNK-HNNXBMFYSA-N 319.742 4.614 30 20 DJED N#CCOc1cccc(NC2CC(c3cccc(Cl)c3)C2)c1 315923413 UIIVYDPMJRESHG-UHFFFAOYSA-N 312.800 4.600 30 20 DJED COc1cc(N=C(O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)ccc1O 328618005 USHOSQQCXUJRJD-MELADBBJSA-N 303.402 4.595 30 20 DJED O/C(C/N=C(/O)C1CCCCC1)=N/[C@@H]1CCCCC12CCCC2 329637387 VPHRLFLZMQGNCF-MRXNPFEDSA-N 320.477 4.983 30 20 DJED C=C(C)COc1cc(CNc2cc(C3CC3)ccn2)ccc1OC 353100855 APBKVKCSCRAQQN-UHFFFAOYSA-N 324.424 4.535 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1cc(SC)ccc1C 355239695 PQMQYXUXUDAYFM-UHFFFAOYSA-N 318.486 4.509 30 20 DJED COc1ccc([C@@H](C)N[C@H](CCC#N)c2ccccc2)c(C)c1 414087313 ADNMJZFQWQLRDV-OXQOHEQNSA-N 308.425 4.699 30 20 DJED CC[C@H](NCc1cccc(OCC(C)C)c1)c1ccc(C#N)cc1 447543719 STPWGDLOYMRVBU-NRFANRHFSA-N 322.452 4.834 30 20 DJED CC#CCCSCc1csc(COc2ccc(F)cc2)n1 462363150 XQGCMVPHKBDNND-UHFFFAOYSA-N 321.442 4.508 30 20 DJED CC(C)CCOc1ccc(NC(=O)C2(C#N)CCCCC2)cc1 465333568 MNXRIVJSHCWJLC-UHFFFAOYSA-N 314.429 4.524 30 20 DJED Cc1nc(SCc2ccc(F)cc2C#N)[nH]c1-c1ccccc1 488282396 IIHBRXXGLUXXGN-UHFFFAOYSA-N 323.396 4.688 30 20 DJED Cc1cccc2cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)oc12 488864010 QLRORJZIQBMPLJ-UHFFFAOYSA-N 318.376 4.795 30 20 DJED CN(Cc1ccc(F)cc1C#N)Cc1csc2ccccc12 489564176 DZYVIPWVMHVOGG-UHFFFAOYSA-N 310.397 4.544 30 20 DJED C=C(C)CCc1noc(CCSc2ccc(Cl)cc2)n1 508658417 BEAAUKCFUFRTJJ-UHFFFAOYSA-N 308.834 4.567 30 20 DJED CC[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)s1 512235053 VYRNUIKCJWSHNL-GFCCVEGCSA-N 319.817 4.546 30 20 DJED C=CCC[C@H](NC1CCN(Cc2ccccc2)CC1)c1ccco1 514105918 UNGZPNUFQJYCPG-FQEVSTJZSA-N 324.468 4.541 30 20 DJED CCc1ccc([C@H](C)CC(=O)N(CCC#N)CC(C)(C)C)cc1 523087744 YCOKQADGQQTKKQ-MRXNPFEDSA-N 314.473 4.531 30 20 DJED C=C[C@@H](CC(=O)Nc1cnccc1OC(C)(C)C)c1ccccc1 535437847 RHFZRMYOHCFRNO-HNNXBMFYSA-N 324.424 4.557 30 20 DJED CC(C)(C#N)CCN[C@@H](c1cccc2ccccc12)C(F)(F)F 543753955 NIAZIMWUDLSCLM-INIZCTEOSA-N 320.358 4.973 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1cc(Cl)ccc1OC(C)C 563305274 AEFYUFIKFMQDAQ-AWEZNQCLSA-N 322.836 4.700 30 20 DJED CC[C@@H](C#N)c1ccc(-c2ccccc2OC[C@H]2CCOC2)cc1 592987189 WPIAGHFRKINNGY-IRXDYDNUSA-N 321.420 4.786 30 20 DJED Cc1cc(C)n(-c2ccc(CSc3ccccc3C#N)cc2)n1 610207596 AYNQFGWGKOOEAH-UHFFFAOYSA-N 319.433 4.653 30 20 DJED Clc1cccc(C=NNCCCc2ccccc2)c1Cl 729147726 FYXHZKWOFBXDCD-UHFFFAOYSA-N 307.224 4.550 30 20 DJED O=C1/C(=C/c2cccc(C(F)(F)F)c2)COc2ccc(F)cc21 731565270 JOFQXULAQRULMV-IZZDOVSWSA-N 322.257 4.503 30 20 DJED O=C(/C=C\c1cnn(-c2ccccc2)c1)c1coc2ccccc12 747706022 SXKADUWHTWOCJI-KHPPLWFESA-N 314.344 4.515 30 20 DJED C=C[C@H](CC(=O)OCc1ccc2ccccc2n1)c1ccccc1 758922128 WXFYHWOSDRODPG-MRXNPFEDSA-N 317.388 4.638 30 20 DJED C#CCCCCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 773328824 LRCKWZSGNHRXEE-UHFFFAOYSA-N 315.432 4.681 30 20 DJED CC(C)c1ncc(/C=C2\CCc3ccc(F)cc3C2=O)s1 776191128 BURGJBVSKMJSAF-KPKJPENVSA-N 301.386 4.618 30 20 DJED Cc1cc(C)c2c(c1)OC/C(=C/c1ccc3cnccc3c1)C2=O 782328757 KQGVAQTWJDVYAG-ZDLGFXPLSA-N 315.372 4.510 30 20 DJED CC(C)c1cc(C(=O)OCCCC(C)(C)C#N)c2ccccc2n1 782532875 BDDFIXKJHIHHAC-UHFFFAOYSA-N 324.424 4.845 30 20 DJED Cc1ccc(C(=O)/C=C/c2cnc(-c3ccco3)s2)c(C)c1 789130896 SGRBUMQNSBDZOV-SOFGYWHQSA-N 309.390 4.916 30 20 DJED Cc1cc(C(=O)/C=C\c2cccc(-c3ccccc3C)c2)n(C)n1 789160283 VSGQAGZRXPTFEK-QXMHVHEDSA-N 316.404 4.600 30 20 DJED CC1(C)C/C(=C/c2nc(Cl)cs2)C(=O)c2ccccc21 794967465 DUYLTNUVBOPNNK-YFHOEESVSA-N 303.814 4.744 30 20 DJED C#Cc1cccc(NC(=O)N2C[C@H](C)CC[C@H]2c2ccccc2)c1 806183940 ZPSNZYBOXUZYLE-UZLBHIALSA-N 318.420 4.673 30 20 DJED C=CCN(C(=O)CSc1cc(Cl)ccc1Cl)C(C)C 915148090 VGXAYPSOJOVMFE-UHFFFAOYSA-N 318.269 4.509 30 20 DJED Cc1cccc(C(C)C)c1NC(=O)[C@H](C#N)CCc1ccccc1 1294266441 WKNBWRFWMYKYOP-SFHVURJKSA-N 320.436 4.830 30 20 DJED N#Cc1cc(C(=O)O[C@@H]2CC[C@@H]3CCCC[C@H]3C2)ccc1Cl 1350148500 AZOTYNMXHZDZLK-HEHGZKQESA-N 317.816 4.727 30 20 DJED CCOc1ccc(C#N)cc1NC(=O)CCC1CCCCCC1 1357422640 UURKJYHCHWWYQW-UHFFFAOYSA-N 314.429 4.646 30 20 DJED Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@@]1(C#N)CC12CCCC2 1435140280 YARRWOOAFNWBOK-RXVVDRJESA-N 324.468 4.673 30 20 DJED C=C(Br)CN[C@H](c1ccc(Cl)cc1)C(C)C 1460113178 UOKJBPGPSCKWKW-ZDUSSCGKSA-N 302.643 4.535 30 20 DJED CC[C@@H](Cc1ccc(C)cc1)N(CC)Cc1ccc(C#N)cc1F 1461842951 HVZVHZMKEZGFBQ-FQEVSTJZSA-N 324.443 4.849 30 20 DJED CC1(C)c2ccccc2CCN1Cc1ccc(C#N)cc1Cl 1473575095 LABIJGBGGFZGTO-UHFFFAOYSA-N 310.828 4.505 30 20 DJED CCC[C@H](C(=O)O[C@@H](C)c1cccc(C#N)c1)c1ccccc1 1518184726 SUZQFQGCOIGBMF-KXBFYZLASA-N 307.393 4.746 30 20 DJED C[C@@H](C(=O)Nc1cc2ccccc2cc1C#N)c1ccsc1 1528322559 ODHPQAAXKNKYAR-GFCCVEGCSA-N 306.390 4.515 30 20 DJED N#C[C@H](CCc1ccccc1)SCc1cccc(F)c1F 1559463941 NCOJNIHBTZHXND-HNNXBMFYSA-N 303.377 4.723 30 20 DJED Cc1cc(Nc2cccc(-c3ccc(F)c(F)c3)c2)ncc1C#N 1612380933 AWBLEGRSAYZQCZ-UHFFFAOYSA-N 321.330 4.951 30 20 DJED Cc1nc(N(C)Cc2ccc3ccccc3c2)c(Cl)cc1C#N 1639167270 LWEYJQTYUWCTKP-UHFFFAOYSA-N 321.811 4.705 30 20 DJED CC(C)CC(CC(C)C)Nc1ncc(C#N)cc1Br 1642229723 RAOOGFKFGJRJJY-UHFFFAOYSA-N 324.266 4.588 30 20 DJED CC(C)c1cccc(CN2CC=C(c3ccc(C#N)cc3)CC2)c1 1642572107 WIOSDCSMISNYEH-UHFFFAOYSA-N 316.448 4.971 30 20 DJED CC1(C)CN(c2nc(C#N)c(Cl)s2)c2cccc(Cl)c21 1650798476 JDUULIJCQVHUFF-UHFFFAOYSA-N 324.236 4.751 30 20 DJED C=C(Br)CN[C@H](c1cccs1)C(CC)CC 1653924283 KOLNRFRPKBJFPP-ZDUSSCGKSA-N 302.281 4.724 30 20 DJED Cc1ccc(CC(C)(C)Nc2ncc(Cl)c(C)c2C#N)cc1 1655582773 ZGTPQROUSXRSNG-UHFFFAOYSA-N 313.832 4.657 30 20 DJED Cc1cc(CNc2cc(C(F)(F)F)ccc2C)ccc1C#N 1661770612 UFEWFTLLCKROEM-UHFFFAOYSA-N 304.315 4.806 30 20 DJED Cc1ccc(/C=C\C(=O)c2ccc3ccccc3c2)cc1C(=O)O 1776131523 TTZJLPIJMFMGDE-FLIBITNWSA-N 316.356 4.743 30 20 DJED CC(C)[C@@H]1/C(=C\c2ccc(F)c(C(=O)O)c2)C(=O)c2ccccc21 1776308892 WEKRZSYMOPGPHR-BXBHGGAKSA-N 324.351 4.543 30 20 DJED N#Cc1ccc(NCc2ccccc2C(F)(F)F)cc1Cl 37389984 CXLUJECKSJBINC-UHFFFAOYSA-N 310.706 4.843 30 20 DJED CC(C)(NCc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 51188632 HUTKGKHCZFSHHY-UHFFFAOYSA-N 319.235 4.890 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC/C(Cl)=C/Cl 127933028 XRERNDMUKVCYJE-UBYNWHESSA-N 301.242 4.812 30 20 DJED N#CCCSc1ccccc1NCc1ccc2c(c1)CCC2 172283592 VDYDLRKPUXIYFS-UHFFFAOYSA-N 308.450 4.793 30 20 DJED C[C@@H](Nc1ccc(CC(F)(F)F)cc1)c1cccc(C#N)c1 182263613 XWOUPPZMVZUDDT-GFCCVEGCSA-N 304.315 4.836 30 20 DJED C[C@H](C#N)Oc1ccccc1NCc1ccc(C(F)F)cc1 185623313 DMJXKRAEKOIBMH-GFCCVEGCSA-N 302.324 4.527 30 20 DJED CCCOc1ccccc1NC(=O)c1ccc(C(C)(C)C#N)cc1 280007162 SDLQMDMFLXNVKF-UHFFFAOYSA-N 322.408 4.529 30 20 DJED C/C(=C/C(=O)N(CCC#N)CC(C)(C)C)c1ccccc1Cl 303242205 KGUZGGXQEUNXMX-OWBHPGMISA-N 318.848 4.532 30 20 DJED N#Cc1ccc(N[C@@H]2CCc3cc(F)ccc32)cc1C(F)(F)F 303417785 SYNDUMHAMZQYRG-MRXNPFEDSA-N 320.289 4.816 30 20 DJED N#Cc1cc(NC2CCC(F)(F)CC2)ccc1C(F)(F)F 390062686 QNORBEGFAKEBPU-UHFFFAOYSA-N 304.262 4.567 30 20 DJED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CC1CCCCCC1 426971279 AYLJJTJOTFBHKB-VQTJNVASSA-N 324.468 4.645 30 20 DJED N#CC[C@@H]1CC[C@H](N[C@@H](CC2CC2)c2ccc(Cl)cc2)C1 453289784 IXCBMMXWKGZWJQ-WBAXXEDZSA-N 302.849 4.853 30 20 DJED C=C[C@](C)(CC)C(=O)N(C)Cc1c(Cl)cccc1Cl 467740267 LXVIJXUYSCGGKZ-OAHLLOKOSA-N 300.229 4.554 30 20 DJED Cc1cc(C)c(C#N)c(SCc2cccc(C(F)F)c2)n1 475937084 DBNOPJMANPOFKV-UHFFFAOYSA-N 304.365 4.800 30 20 DJED C=CCSc1ccccc1C(=O)Nc1ccc(SC)cc1 485467208 LJOCQLMYDJFAAF-UHFFFAOYSA-N 315.463 4.939 30 20 DJED C=C(C)[C@H](NCc1scnc1C1CC1)c1ccc(F)c(F)c1 487573728 OJZOWVLILSIQRT-INIZCTEOSA-N 320.408 4.706 30 20 DJED Cc1cc(CN[C@H](C)c2oc3ccccc3c2C)ccc1C#N 488278178 MNNWABGWLFMTPE-OAHLLOKOSA-N 304.393 4.772 30 20 DJED N#Cc1ccc(NCc2cccc(CN3CCCCCC3)c2)cc1 489183260 HPQUFFDJDOAVFX-UHFFFAOYSA-N 319.452 4.546 30 20 DJED C=CC[C@H](C(=O)N[C@H](C)[C@@H](C)c1ccccc1)c1ccccc1 489699420 RIPQEPHVJXOUPJ-HLIPFELVSA-N 307.437 4.655 30 20 DJED C=CCN(Cc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1 497817398 JJDAVUKNGXUTLM-UHFFFAOYSA-N 320.219 4.822 30 20 DJED C=C(C)CN(CC)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 503830543 SZUQAIVWEOKVJM-FQEVSTJZSA-N 322.452 4.578 30 20 DJED CCN(C(=O)[C@H](C)CC1CCCC1)[C@@H](C)c1ccc(C#N)cc1 510304624 CYZVGILLWCOMIB-CVEARBPZSA-N 312.457 4.684 30 20 DJED C=CCCCCCN(C)C(=O)Nc1cc(Cl)ccc1OC 524609225 NQSLVCAXFZHQTR-UHFFFAOYSA-N 310.825 4.559 30 20 DJED C=CCCc1csc([C@H](C)n2cnc3cc(C)c(C)cc32)n1 534143979 LVOPXPMNUCCROJ-AWEZNQCLSA-N 311.454 4.838 30 20 DJED C=C[C@H](Cc1nc(-c2ccc3cc[nH]c3c2)no1)c1ccccc1 545636090 CCUNOQJMMJPWGP-CQSZACIVSA-N 315.376 4.730 30 20 DJED N#CCC1CCN(C(=O)Nc2cccc(-c3ccccc3)c2)CC1 548789206 PTNMBQSYUZTHLR-UHFFFAOYSA-N 319.408 4.511 30 20 DJED N#Cc1ccc2c(c1)[C@H](N[C@H]1CCc3sc(Cl)cc31)CC2 564428254 REXUZDGQSAUVIC-CABCVRRESA-N 314.841 4.538 30 20 DJED Cc1ccccc1[C@H](CC(C)C)NC(=O)CCCCCC#N 588157832 COZHUMITSLNJDN-SFHVURJKSA-N 300.446 4.673 30 20 DJED Cc1nc(-c2ccccc2NC(=O)CCCCCC#N)cs1 588759956 BUADTWGFYZMWPP-UHFFFAOYSA-N 313.426 4.531 30 20 DJED N#CCCCCCC(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 590888960 QIQGVFRTLOOHJY-WBVHZDCISA-N 318.848 4.566 30 20 DJED C=CCCC(=O)N[C@H](CC(C)C)c1cc(Cl)ccc1OC 606311396 ZQBYHAANDLVJCB-OAHLLOKOSA-N 309.837 4.518 30 20 DJED C=CCCCCCN(C)C(=O)NCc1cc2c(s1)CCCC2 606973573 ABXOTZNDLPSPMW-UHFFFAOYSA-N 320.502 4.515 30 20 DJED CC[C@@H](CC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccc(C)cc1 609967313 FLJVTTNJBHMBTN-AEFFLSMTSA-N 320.436 4.628 30 20 DJED C=C[C@@H](C)NC(=O)c1sc2cccc(Cl)c2c1Cl 674957012 PTOLKNJIQYRAHB-SSDOTTSWSA-N 300.210 4.512 30 20 DJED CCCCCCCC(=O)N1CCO[C@H](c2ccccc2Cl)C1 728876409 SBSOCOPQUHOMHM-KRWDZBQOSA-N 323.864 4.600 30 20 DJED CC1(c2ccccc2)CC(=NNc2cc(F)c(F)cc2F)C1 734302072 YJPUSEMYHRZEOK-UHFFFAOYSA-N 304.315 4.624 30 20 DJED C[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)C(C)(C)C 734334509 BBIKLUCHPSXLCD-HNNXBMFYSA-N 320.436 4.637 30 20 DJED CC[C@@H](C#N)OC(=O)c1sc2cccc(Cl)c2c1Cl 753428486 NURLHFREHHVMME-ZETCQYMHSA-N 314.193 4.667 30 20 DJED CSc1ccc(C(C)=NNc2cc(C)ccn2)c(Cl)c1 763357646 JAKKDFSDXYUJLI-UHFFFAOYSA-N 305.834 4.601 30 20 DJED C=CCCC(=O)O[C@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 763960809 BFQMDEXXHSMPKP-GFCCVEGCSA-N 319.788 4.874 30 20 DJED C#CCCCCCC(=O)Nc1cccc(Nc2ccccc2)c1 780937222 DNGJRAQVYJALTN-UHFFFAOYSA-N 306.409 4.952 30 20 DJED CC(C)c1ncc(/C=C\C(=O)c2ccc(C#N)cc2Cl)s1 788361191 WHZXMGFVNCOEJH-XQRVVYSFSA-N 316.813 4.688 30 20 DJED C#CCC1(C(=O)Nc2ccc3cnn(C(C)C)c3c2)CCCCC1 788436361 FUMYFJFKMSCUJI-UHFFFAOYSA-N 323.440 4.530 30 20 DJED CC(=NNc1cc(Cl)cc(Cl)c1)c1cnc(C)s1 790211950 QONZKOVDBGHUKN-UHFFFAOYSA-N 300.214 4.594 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)c1cc(Cl)c(Cl)[nH]1 792530659 KYVIFSDZLPGZCM-UHFFFAOYSA-N 323.223 4.540 30 20 DJED Fc1ccc(/C=C\C=NNc2cccc3cnccc23)cc1F 794904616 LUTPAERPBRUTBJ-TYTJBESNSA-N 309.319 4.624 30 20 DJED N#CC1(c2ccc(-c3cccc(Cn4ccnc4)c3)s2)CCC1 846779435 MHGUCOOGTSEQCI-UHFFFAOYSA-N 319.433 4.605 30 20 DJED Fc1cccc(N2CCCC2)c1C=NNc1ccccc1Cl 916262216 DAFLBIPBSFQOFH-UHFFFAOYSA-N 317.795 4.525 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccc(OCC(F)(F)F)cc2)cc1 921260615 CDJYQAPVNYTGRN-IZZDOVSWSA-N 320.310 4.832 30 20 DJED CCc1ccc(C(C)(C)CNc2ccc(Cl)c(C#N)n2)cc1 1185592844 JNRLROQTSVAHIX-UHFFFAOYSA-N 313.832 4.559 30 20 DJED Cc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)c(Cl)c1Cl 1261327415 DNIMOPMDIVTXIC-MRXNPFEDSA-N 323.223 4.714 30 20 DJED C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)Cc1cccc(C#N)c1 1307521738 MRDMIPWACZQRBL-HUUCEWRRSA-N 312.844 4.836 30 20 DJED C=C[C@@H]1CCCCN1C(=O)c1ccc(OC)c(-c2ccccc2)c1 1320892286 MQMNGNSTWIPXMS-GOSISDBHSA-N 321.420 4.543 30 20 DJED C=C[C@H]1CCCCN1C(=O)c1ccc(-c2cccs2)s1 1320926430 MQSPOTYNOHXUJF-LBPRGKRZSA-N 303.452 4.657 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(-c3ccccc3)s2)C1 1460800502 ZQPQFIDODYKFNU-HIFRSBDPSA-N 311.406 4.654 30 20 DJED CC(C)c1ccc2occ(C(=O)O[C@H]3CCC[C@H](C#N)C3)c2c1 1525049334 UEKKGOAWEWVJDD-ZFWWWQNUSA-N 311.381 4.795 30 20 DJED Cc1ccc([C@H]2CCC[C@H]2N(C)Cc2ccc(F)cc2C#N)cc1 1559562725 HSSNRYPZWYASLL-NHCUHLMSSA-N 322.427 4.774 30 20 DJED N#Cc1cccc(NC(=O)N2CCC[C@@H]2CCC2CCCC2)c1 1622820521 UIJUMDSFRHKNLM-GOSISDBHSA-N 311.429 4.525 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1C#N 1653759301 UISRORJEEGVAOT-SJORKVTESA-N 304.865 4.906 30 20 DJED C[C@@H]1C[C@@H]1[C@H](Nc1ncc(C#N)cc1F)c1ccc(Cl)cc1 1655135841 NGASGZOLXJICIF-FUEDEBDSSA-N 315.779 4.555 30 20 DJED CC[C@H](C)c1ccc(/C=C\C(=O)c2ccc(C(=O)O)cc2O)cc1 1776698686 SJGAEYYGMFHDCR-GXJZLWQJSA-N 324.376 4.500 30 20 DJED CCCCCCCCCCCN(C)c1ccncc1C(=O)O 1776787725 DWRHBASHSLQQFU-UHFFFAOYSA-N 306.450 4.747 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)CCC1CCCC1 66801813 WXUUHRBPIUYCAU-CQSZACIVSA-N 316.470 4.990 30 20 DJED Cc1cc([C@@H](C)Nc2ccc(C#N)c(C(F)(F)F)c2)c(C)o1 109240333 FIZVUKFEFQYHAS-SNVBAGLBSA-N 308.303 4.960 30 20 DJED C[C@@H](NC1c2ccccc2-c2ccccc21)c1ccc(C#N)cc1 121846004 JHEVYOSMGRFVDE-OAHLLOKOSA-N 310.400 4.979 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C)c1C 122129972 GBVXCNGCDJAJOC-UHFFFAOYSA-N 321.424 4.619 30 20 DJED O=C(/C=C/c1coc(-c2ccccc2)n1)c1cc(F)cc(F)c1 126508481 QGVSYKHXKUQANK-VOTSOKGWSA-N 311.287 4.516 30 20 DJED Cc1cccc([C@H]2CCCN2Cc2ccccc2C(C)(C)C#N)n1 135293102 PVUBZZZHSOFVCA-HXUWFJFHSA-N 319.452 4.528 30 20 DJED Cc1cc(C(F)(F)F)ccc1CN[C@H](C)c1cccc(C#N)c1 191006108 IPSCQAZLKUPJRK-CYBMUJFWSA-N 318.342 4.736 30 20 DJED CCOc1cccc(C=Nc2ccc(C(F)(F)F)cc2)c1O 254295633 WZJKXXFZPNWDTI-UHFFFAOYSA-N 309.287 4.560 30 20 DJED CC[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(C)cc1O 280095493 MSQFJDFTUDWGBY-RBUKOAKNSA-N 308.425 4.786 30 20 DJED CCCOCc1ccccc1CNc1cc(Cl)ccc1C#N 303826145 YSLJRUFYWBDNTQ-UHFFFAOYSA-N 314.816 4.750 30 20 DJED O/C(=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cc2ccccc2nc1O 329046324 VAGYRVZIMDCLQM-SQWLQELKSA-N 324.424 4.604 30 20 DJED CC(C)(C)CN(CCC#N)Cc1ncc(-c2ccccc2)s1 342761581 UOPQBXIMDYAUQE-UHFFFAOYSA-N 313.470 4.572 30 20 DJED C=CC[C@H](CC)NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 410133567 IPRFYLTXAOFJPX-UBHSHLNASA-N 312.240 4.568 30 20 DJED Cc1ccc(-c2n[nH]c(S[C@@H](C)c3cccc(C#N)c3)n2)cc1 442913959 KFAVMLLYKRVWTH-ZDUSSCGKSA-N 320.421 4.505 30 20 DJED CC(C)[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 443818711 SUOAODGOLLOZSS-KRWDZBQOSA-N 312.800 4.590 30 20 DJED C=CCCCC[C@H](C)N[C@@H](C)c1nc(-c2ccncc2)cs1 449221811 HHYBBVJCAOYXSC-GJZGRUSLSA-N 315.486 4.991 30 20 DJED CC(C)C[C@@]1(C)CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 452508120 HSAMAKOTQHUYOJ-HXUWFJFHSA-N 312.457 4.529 30 20 DJED C=CCCC1(C(=O)N2CCc3cc(-c4ccccc4)oc3C2)CC1 476233173 ZAKVUXCEGKUMPE-UHFFFAOYSA-N 321.420 4.578 30 20 DJED C=CCCO[C@@H](C)C(=O)N(C1CCCC1)[C@H](C)c1ccccc1 485466951 OCBOVXUXDWUYNZ-SJORKVTESA-N 315.457 4.500 30 20 DJED C=CCC[C@@H](C(=O)N[C@@H]1CCCc2occc21)c1ccccc1 488353000 IZBFTMNXWZEIFR-SJLPKXTDSA-N 309.409 4.523 30 20 DJED Cc1cccc(CN(Cc2cccc(C#N)c2)Cc2ccco2)c1 497738551 UDXCKMOTHBMHFE-UHFFFAOYSA-N 316.404 4.662 30 20 DJED CC(C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCCC2 497814241 WVRLHQJMDFHOAQ-GFCCVEGCSA-N 304.459 4.509 30 20 DJED C[C@@H](CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1)C1CCCCC1 499836057 IAOPLWCHIRIVTB-GUYCJALGSA-N 318.848 4.627 30 20 DJED CC[C@](C)(C#N)C(=O)Nc1ccc(SC2CCCC2)cc1 505640687 XJDYCOKMWGITHN-QGZVFWFLSA-N 302.443 4.600 30 20 DJED C[C@H](NCC1(C#N)CC1)c1ccc(Oc2ccccc2)c(F)c1 539493275 QWTFYJRKUQBVBI-AWEZNQCLSA-N 310.372 4.572 30 20 DJED C[C@@H](NCCCSc1ccc(F)cc1)c1ccc(C#N)cc1 539496470 OZWNFPUDBNAQQO-CQSZACIVSA-N 314.429 4.530 30 20 DJED CC(C)c1cnc(SCc2ccc(CC#N)cc2)n1C(C)C 542216125 FKCCCVDJUXEUCT-UHFFFAOYSA-N 313.470 4.946 30 20 DJED CC[C@@](C)(C#N)C(=O)Nc1cc(Cl)ccc1SC(C)C 558103607 HRCWPWGCCYDZJT-HNNXBMFYSA-N 310.850 4.719 30 20 DJED C[C@H](NC(=O)c1ccc(C2=CCCC2)cc1)c1ccc(C#N)cc1 562903306 AGHKXQXYCWJMBC-HNNXBMFYSA-N 316.404 4.617 30 20 DJED Cc1ccccc1[C@@H](C)CC(=O)Nc1cc(C#N)cn1C(C)(C)C 566877223 CVAGBUJTPVNMOK-HNNXBMFYSA-N 323.440 4.556 30 20 DJED C=CCC(C)(C)CN[C@@H](c1cccnc1)c1ccc(F)c(C)c1 571779833 WEDKTXFHPRPTSZ-LJQANCHMSA-N 312.432 4.810 30 20 DJED C[C@H](Nc1ccc(C#N)cc1)c1ccc(Oc2cccnc2)cc1 572914308 KEKNDWNUBPCZIU-HNNXBMFYSA-N 315.376 4.919 30 20 DJED Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c(C)c1 592973384 FEPYEHBSNZAHJZ-CQSZACIVSA-N 324.380 4.542 30 20 DJED COc1cc(OC(F)F)ccc1-c1ccccc1C1(C#N)CC1 596641355 URRICYXOOQLSMU-UHFFFAOYSA-N 315.319 4.519 30 20 DJED CC[C@H](C)[C@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 603521282 MGUQGJVOWQFFJI-YRNRMSPPSA-N 320.436 4.565 30 20 DJED C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccccc1C(C)(C)C#N 611554132 FIIDGKLSVFJVJJ-HIFRSBDPSA-N 324.390 4.651 30 20 DJED CCC(CC)CN(CCC#N)C(=S)Nc1cc(C)ccc1C 729642395 LILYODBIDMEBBK-UHFFFAOYSA-N 317.502 4.652 30 20 DJED Cc1nc(-c2ccccc2)[nH]c1C(=O)/C=C\c1cccc(F)c1F 730728996 BPJYGKOQALUCMG-KHPPLWFESA-N 324.330 4.559 30 20 DJED COc1cc(C(=O)/C=C/c2cccc(C)c2C)ccc1SC 731158491 BFMUVQJWZCKQBO-CSKARUKUSA-N 312.434 4.930 30 20 DJED COc1ccc(C)cc1C(=O)/C=C/c1cnc(C(C)(C)C)s1 736433354 SOKWYDKYWJEEIP-BQYQJAHWSA-N 315.438 4.654 30 20 DJED O=C(/C=C/c1c(Cl)cccc1Cl)c1ccc2c(c1)COC2 742436418 JTNLFVJNTCEZDS-VOTSOKGWSA-N 319.187 4.920 30 20 DJED CCC(=NN=C(c1ccccc1)c1ccccc1)C1CCOCC1 745193305 MUOGXEHLSXQTBJ-UHFFFAOYSA-N 320.436 4.717 30 20 DJED O=C1/C(=C/c2ccc(O)cc2)CCSc2ccc(Cl)cc21 748440778 GHUUCOLFXICCKX-FMIVXFBMSA-N 316.809 4.808 30 20 DJED N#Cc1csc(/C=C\C(=O)c2ccc(-c3ccncc3)cc2)c1 748440989 UGQVJCHHNHSZIY-WAYWQWQTSA-N 316.385 4.578 30 20 DJED C[C@@H](CCC(C)(C)C)C(=O)[C@H](C#N)c1ccc2ccccc2n1 755582567 FPMDRGHODDPQME-GOEBONIOSA-N 308.425 4.873 30 20 DJED CC(CC1CCOCC1)=NNc1ccc(Cl)cc1Cl 757563620 MKZWTIUIZXLNOJ-UHFFFAOYSA-N 301.217 4.598 30 20 DJED CC(C)c1ncc(/C=C2\Cc3cc(Cl)ccc3C2=O)s1 758433318 HZXNCDITLQJOHK-YRNVUSSQSA-N 303.814 4.742 30 20 DJED C#CCCCCC(=O)NCCC(c1ccccc1)c1ccccc1 773176984 DEXUHLODZUUEMI-UHFFFAOYSA-N 319.448 4.518 30 20 DJED C[C@H](Nc1ccccc1OCC(F)F)c1ccc(C#N)c(F)c1 777161596 OHOGYTSOKQECNJ-NSHDSACASA-N 320.314 4.514 30 20 DJED CC(C)Oc1ccc(N[C@H](C)c2ccc(C#N)c(F)c2)c(F)c1 777292432 XUYBJZVJKKTJDM-GFCCVEGCSA-N 316.351 4.797 30 20 DJED CC(C)Sc1cccc(Cl)c1C=NNc1ccccn1 786037577 JABKKFIKLHKCJL-UHFFFAOYSA-N 305.834 4.682 30 20 DJED CC[C@H](CC#N)OC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C 787092692 RZMMHXSLVFEXCC-MAUKXSAKSA-N 324.424 4.563 30 20 DJED Cc1c(C(=O)/C=C/c2cc(F)cc(Cl)c2)cnn1C(C)(C)C 787186808 MYNSHQJMHBVUGM-AATRIKPKSA-N 320.795 4.635 30 20 DJED CCCCCCCN(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 789366140 TZPJMIJKKDGTCW-INIZCTEOSA-N 318.461 4.606 30 20 DJED Cc1nn(C)c2sc(C(=O)/C=C\c3cc(Cl)cs3)cc12 806576877 IZCOSPPQTRTZHP-ARJAWSKDSA-N 322.842 4.554 30 20 DJED CC(C)C#CC(=O)N(C1CC1)[C@@H](C)c1ccc2ccccc2c1 823460648 YKHLOEGGBGEXSU-INIZCTEOSA-N 305.421 4.551 30 20 DJED C[C@H](CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1)CC(C)(C)C 842939429 QGBCLWLIEJUDPP-DGCLKSJQSA-N 304.459 4.659 30 20 DJED N#CC1(c2cccc(-c3ccc4ccoc4c3)c2)CCOCC1 854199698 IHALPACNDHEOLA-UHFFFAOYSA-N 303.361 4.672 30 20 DJED CCC(C#N)(CC)C(=O)OCc1csc(C2CCCCC2)n1 860197086 OYXWWTURUCLGEB-UHFFFAOYSA-N 320.458 4.564 30 20 DJED C=C[C@H](Cc1nc(-c2ccc(C)c(F)c2)no1)c1ccccc1 904339086 YAOCXDOYZGDQRO-CQSZACIVSA-N 308.356 4.696 30 20 DJED CCCCCCCCCC(=O)Nc1nnc(C(F)(F)F)s1 914858726 RSGZYNTWICPXBF-UHFFFAOYSA-N 323.384 4.636 30 20 DJED CCCc1ccc(C(=O)/C=C/c2ccc(O)c(OCC)c2)cc1 916133972 WIXVURBMQKTTHP-XYOKQWHBSA-N 310.393 4.640 30 20 DJED CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1O 916134136 DRFWFOWTNKZWSQ-YRNVUSSQSA-N 322.404 4.566 30 20 DJED Fc1cc(C=NNc2nccc3sccc23)ccc1Cl 921258022 FQLFOFPNFHEYGQ-UHFFFAOYSA-N 305.765 4.535 30 20 DJED CC[C@H](NCc1cc2cccc(OC)c2o1)c1ccc(C#N)cc1 1116810099 IBXAVLPTBIZSBO-SFHVURJKSA-N 320.392 4.554 30 20 DJED Cc1cc(C)c(C#N)c(S[C@@H]2CCCc3ccc(F)cc32)n1 1188083381 FZYBHUWJSXFQLX-QGZVFWFLSA-N 312.413 4.879 30 20 DJED CN(CCc1ccc(C#N)cc1)Cc1cccc(Cl)c1Cl 1208926679 YEXPEPWSWMUQCT-UHFFFAOYSA-N 319.235 4.540 30 20 DJED C[C@H](c1ccccc1Cl)N(C)C(=O)CC1(C#N)CCCCC1 1355564661 ATGBGQOVRXCIHD-CQSZACIVSA-N 318.848 4.724 30 20 DJED Cc1ccccc1[C@H](CC(C)C)NC(=O)c1cc(C#N)ccc1F 1360171320 ZHRPAIUHZHGWCM-IBGZPJMESA-N 324.399 4.523 30 20 DJED N#Cc1c(Cl)nsc1N1CCC[C@H]1CCC1CCCCC1 1458258086 YDCYGKWQFWJGEH-ZDUSSCGKSA-N 323.893 4.997 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2c(C)[nH]c3ccc(Cl)cc23)c1 1468964146 IQZCFUTUIGVZJF-UHFFFAOYSA-N 323.783 4.562 30 20 DJED C[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)C1CCCCCC1 1515018833 HBQMMZMXDOLTKL-QFBILLFUSA-N 312.457 4.549 30 20 DJED Cc1ccccc1-c1ccccc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 1528497514 NJAZNJDLWRSSGW-IAGOWNOFSA-N 319.404 4.901 30 20 DJED N#CC1(CC(=O)N(c2ccccc2)C2CCCC2)CCCCC1 1530754964 CIUQZJKRHYKNRC-UHFFFAOYSA-N 310.441 4.826 30 20 DJED Cc1cc(C)cc(C2CCN(Cc3ccc(CC#N)cc3)CC2)c1 1560205566 YCQKERLRCVQVHA-UHFFFAOYSA-N 318.464 4.749 30 20 DJED CC(C)(C)C1CCC(CNCc2cc(C#N)ccc2F)CC1 1560589973 JMMQYAGJMSGOGI-UHFFFAOYSA-N 302.437 4.639 30 20 DJED Cc1ccnc(N[C@@H]2C[C@H](C)C[C@@H](c3ccccc3)C2)c1C#N 1612484569 VZLFVUNCHIIGMX-ZTFGCOKTSA-N 305.425 4.646 30 20 DJED CC(C)N(Cc1cc(Cl)ccc1OCC#N)C1CCCCC1 1616042010 GMSZMRQAHXCDHM-UHFFFAOYSA-N 320.864 4.785 30 20 DJED N#Cc1cccc(CN2CCCc3c2cccc3C(F)(F)F)c1 1618741559 ULOSPMUPBOXWRA-UHFFFAOYSA-N 316.326 4.530 30 20 DJED Cc1nc(NC[C@H](C)Sc2ccccc2)c(Cl)cc1C#N 1639551704 UMUSXMRFNCYSKT-NSHDSACASA-N 317.845 4.508 30 20 DJED C[C@H]1CC(C)(C)CC[C@@H]1NCc1cc(Cl)ccc1OCC#N 1642812014 GSRZVEQQEYZLJC-BBRMVZONSA-N 320.864 4.547 30 20 DJED N#Cc1cnccc1Nc1ccc(CCCc2ccccc2)cc1 1650715898 DONIHJBRXUEOIO-UHFFFAOYSA-N 313.404 4.872 30 20 DJED C[C@H]1[C@@H](Cc2ccccc2)CCN1Cc1ccc(Cl)cc1C#N 1652670001 WFUASXIQYMPJDA-DOTOQJQBSA-N 324.855 4.665 30 20 DJED C[C@@H](Cc1coc2ccccc12)N[C@H](C)c1cccc(C#N)c1 1658897910 RLTPOIYGQRIFMM-LSDHHAIUSA-N 304.393 4.586 30 20 DJED C[C@@H](CCN[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 1665022396 QMDVSGYGARPRKW-KKSFZXQISA-N 304.437 4.719 30 20 DJED O=C(O)c1cc(NN=CCC[C@H]2C[C@H]3CC[C@H]2C3)ccc1Cl 1776033589 DWWCAPKAPSLSOA-AGIUHOORSA-N 320.820 4.652 30 20 DJED C[C@H](NCc1cccc(C#N)c1)c1cc(Cl)ccc1Cl 37748669 QSRDPWYYFHWXLE-NSHDSACASA-N 305.208 4.716 30 20 DJED C[C@H]1CC[C@@H](C)N1CCC(C#N)(c1ccccc1)c1ccccc1 60128898 JZKKWPZBJCRTTF-KDURUIRLSA-N 318.464 4.759 30 20 DJED C[C@H](NCc1ccc(C(C)(C)C)cc1)c1ccc(OCC#N)cc1 171768837 FVRVFLCKMCNSRV-INIZCTEOSA-N 322.452 4.737 30 20 DJED C[C@@H](CCC#N)Sc1nnc(-c2cccc3ccccc23)o1 188317464 NEBJVOCGKPKEPO-LBPRGKRZSA-N 309.394 4.674 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)c1nc(C)c(C)nc1C 189908112 CMKNDNKKJTUEQO-UHFFFAOYSA-N 323.440 4.506 30 20 DJED N#Cc1ccc(Sc2ccccc2F)cc1Br 228252935 PSNLNYAKKRQQMN-UHFFFAOYSA-N 308.175 4.611 30 20 DJED CC(=O)Nc1ccc(C)c(N=Cc2c(O)ccc3ccccc23)c1 255111533 OARSWOJAWBFLPS-UHFFFAOYSA-N 318.376 4.563 30 20 DJED CC(C)(C#N)CCCC[S@](=O)[C@@H]1CCc2c(Cl)cccc21 277942292 QOBVJGACDBZPSJ-IERDGZPVSA-N 323.889 4.796 30 20 DJED O/C(Cc1ccc2c[nH]nc2c1)=N/[C@@H]1CCCCC12CCCC2 329747854 SPGRJSJIYLBRQI-QGZVFWFLSA-N 311.429 4.565 30 20 DJED CCOCc1ccc(NCc2cccc(OCCCC#N)c2)cc1 355387875 BEFSIBFFQMFGIQ-UHFFFAOYSA-N 324.424 4.518 30 20 DJED N#CCC[C@@H](N[C@H]1CCc2ccc(Cl)cc21)c1ccccc1 358343672 SYRGEFASFBBAAE-MOPGFXCFSA-N 310.828 4.962 30 20 DJED C[C@H](c1cccc(Cl)c1)N(C)Cc1ccc(C#N)c(F)c1 404053875 GDTQAJGBCJUZIP-GFCCVEGCSA-N 302.780 4.544 30 20 DJED CC[C@@H](c1ccc(F)cc1)[S@](=O)CCC1(C#N)CCCCC1 417143201 GOVXNBBMOOHOCU-HTAPYJJXSA-N 321.461 4.890 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(-c2ccccc2)o1 436291935 QZWOHKZNHRPUGY-VPWXQRGCSA-N 311.425 4.578 30 20 DJED C=C[C@H](CC(=O)Nc1cc(Cl)cc(F)c1F)c1ccccc1 441568265 UQLDARDWSYVQGO-LLVKDONJSA-N 321.754 4.917 30 20 DJED C=CCC[C@@H](NC(=O)N1Cc2cccc(F)c2C1)c1ccccc1 458583342 SBMVLIBDLGNANI-LJQANCHMSA-N 324.399 4.558 30 20 DJED Cc1cc(C#N)cc(C)c1OCc1nc(-c2cccs2)oc1C 461547523 QXNOAYCEKWBXMV-UHFFFAOYSA-N 324.405 4.779 30 20 DJED N#Cc1cc(Cl)ccc1CNC1(c2ccc(Cl)cc2)CC1 480856481 ZMCJWDLYUDQZQQ-UHFFFAOYSA-N 317.219 4.644 30 20 DJED C[C@@H](F)CCN[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 509007027 OIWMTDBGBORSLW-KCJUWKMLSA-N 317.248 4.647 30 20 DJED CC(C)CCN(CCC#N)Cc1cnc(-c2ccccc2)s1 513746208 QEISMTOTXGMAOO-UHFFFAOYSA-N 313.470 4.572 30 20 DJED CC[C@H](NCc1oc2ccccc2c1OC)c1ccc(C#N)cc1 515591446 QSJKFFXXHKQJPV-KRWDZBQOSA-N 320.392 4.554 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 522652792 CZGSLSJZMQNCKW-CYBMUJFWSA-N 314.360 4.704 30 20 DJED N#CCCCOc1cccc(CNc2cccc3c2CCCC3)c1 530616788 YIXWEWFFKULFKY-UHFFFAOYSA-N 320.436 4.860 30 20 DJED C=C[C@H](CC(=O)Nc1cc(F)ccc1Cl)c1ccccc1 534738758 OWDYUDIMVYMOGV-GFCCVEGCSA-N 303.764 4.778 30 20 DJED C[C@@H](CCC(C)(C)C)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 543507362 ZMPBSRCEDFDSAD-HNNXBMFYSA-N 312.457 4.512 30 20 DJED Cc1ccccc1[C@@H](C)c1noc(/C=C/c2ccc(C#N)cc2)n1 546543714 KGZNMLVUJALFHK-AYJWMTRPSA-N 315.376 4.572 30 20 DJED C[C@H](Nc1ccc(Cl)cc1OC(F)F)c1cccc(C#N)c1 546575060 GJTZONRVXJZQTP-JTQLQIEISA-N 322.742 4.986 30 20 DJED CCc1ccc(-c2ccc(CNCc3cccc(C#N)c3)o2)cc1 557693876 VTENXAOUODWHEQ-UHFFFAOYSA-N 316.404 4.670 30 20 DJED C=C1CCN(c2ncnc3scc(-c4ccc(C)cc4)c23)CC1 594704053 HHHPXBGGHJPKKD-UHFFFAOYSA-N 321.449 4.823 30 20 DJED C=CCCCCCN(C)C(=O)N[C@@H](c1ccccc1C)C1CC1 606983730 WNWHEWFBRNYFCW-LJQANCHMSA-N 314.473 4.834 30 20 DJED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CC2=CCCCC2)cc1 609415058 GACCLKKDCTYBRG-GOSISDBHSA-N 310.441 4.555 30 20 DJED N#Cc1ccc(CSc2ccc(Cl)cc2C#N)c(F)c1 610655122 QCQNGRJNYBFKPG-UHFFFAOYSA-N 302.761 4.515 30 20 DJED Cc1ccc(C#N)cc1NCc1c(Cl)ccc2cccnc12 611606263 OQKLYPWNNUWDNZ-UHFFFAOYSA-N 307.784 4.680 30 20 DJED CC[C@H](NC1(c2ccc(F)cc2)CCC1)c1ccc(C#N)cc1 618573115 KCVIUWDFBBIVNI-IBGZPJMESA-N 308.400 4.817 30 20 DJED C=CCCO[C@@H](C)c1nc(-c2ccccc2SCC)no1 624692358 WRMBNPYNNWISAM-LBPRGKRZSA-N 304.415 4.502 30 20 DJED C=CCC[C@@H](NCc1cc(COC)cs1)c1ccccc1 657413361 PEMRFGHPSSKCED-GOSISDBHSA-N 301.455 4.692 30 20 DJED C=CCCC1(C(=O)N2CCC[C@H](Cc3ccc(C)cc3)C2)CC1 684422466 XSOPSFWMGJEKTK-LJQANCHMSA-N 311.469 4.523 30 20 DJED CCCCc1ccc(C(=O)/C=C/c2cccc(OCC#N)c2)cc1 730151491 LINACXLGUNJGMS-JLHYYAGUSA-N 319.404 4.828 30 20 DJED COc1ccc(C(=O)/C=C/c2cc(C(F)(F)F)ccc2F)cc1 733205559 ZMMKDCMQGBEHLB-RUDMXATFSA-N 324.273 4.749 30 20 DJED CCCCCC[C@@H](CC)C(=O)N[C@@H](C)c1cccc(C#N)c1 743776902 KEBOTMWJLTUEPG-DOTOQJQBSA-N 300.446 4.732 30 20 DJED Cc1ccc2cc(C(=O)/C=C\c3ccc(C#N)cc3F)oc2c1 754830650 UITOOINYHIXYPI-SREVYHEPSA-N 305.308 4.648 30 20 DJED C=C(C)[C@H](NCc1ccc(CF)cc1)c1ccc(F)c(F)c1 775723368 JSDCIVCJZFTSNL-SFHVURJKSA-N 305.343 4.841 30 20 DJED Cc1cc(Cl)cc(C)c1CNc1ccc(F)cc1OCC#N 779609690 ROLRWQIBXCJCEL-UHFFFAOYSA-N 318.779 4.610 30 20 DJED Cc1[nH]c2ccccc2c1C(=O)/C=C/c1scnc1C1CC1 782321469 BBHBTTWIIWJHSX-CMDGGOBGSA-N 308.406 4.706 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccsc2Cl)c(Cl)c1 788360543 ZBEWOBPEIBHZMQ-RQOWECAXSA-N 308.189 4.823 30 20 DJED FC(F)(F)CCON=CCCc1c(Cl)cccc1Cl 790175093 CKTQIMHYVCIMFP-UHFFFAOYSA-N 314.134 4.881 30 20 DJED CC[C@H](NCC(C)(C)CC#N)c1cc(Cl)cc(Cl)c1O 840787720 OLJLTWRTYUXHQP-ZDUSSCGKSA-N 315.244 4.680 30 20 DJED CCc1cc(C#N)c(NC(=O)/C=C/c2ccc(Cl)s2)s1 917878324 NMOUPZIMZJSWST-GQCTYLIASA-N 322.842 4.549 30 20 DJED Cc1[nH]c2ccccc2c1C(=O)/C=C\c1ccc(O)c(Cl)c1 921266586 ZJNACPDRDLSUFV-CLFYSBASSA-N 311.768 4.731 30 20 DJED N#CC1(CC(=O)O[C@@H]2CCSc3ccccc32)CCCCC1 1127807029 NEDDEIICNROEBK-OAHLLOKOSA-N 315.438 4.631 30 20 DJED N#Cc1c(F)cccc1N1CCc2cc(-c3ccccc3)oc2C1 1185583939 MSMZWIHJFHCICA-UHFFFAOYSA-N 318.351 4.520 30 20 DJED Cc1cc(C)c(/C=C\c2nnc(-c3cccc(C#N)c3)o2)cc1C 1324183899 QGUSPHCOHBEPDS-FPLPWBNLSA-N 315.376 4.704 30 20 DJED N#Cc1cc(Cl)ccc1CSCc1ccc(Cl)cn1 1332393188 CTPAPNFNNOJOJH-UHFFFAOYSA-N 309.221 4.693 30 20 DJED CC[C@@H](NC(=O)CC1(C#N)CCCCC1)c1cccc(Cl)c1 1352785719 JJABFXQARRLBAJ-MRXNPFEDSA-N 318.848 4.771 30 20 DJED CCc1cc(C#N)c(NC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)s1 1358293638 LJEFIKFYPGKEPI-CHWSQXEVSA-N 318.486 4.973 30 20 DJED N#Cc1c(Cl)nsc1N1CCC[C@@H]1CCC1CCCCC1 1458258080 YDCYGKWQFWJGEH-CYBMUJFWSA-N 323.893 4.997 30 20 DJED CC[C@@H](Cc1cccc(C)c1)C(=O)O[C@@H](C)c1cccc(C#N)c1 1516898873 UKTHJKYDXUQXSE-LPHOPBHVSA-N 321.420 4.740 30 20 DJED Cc1ccc([C@@H]2[C@H](C)CCCN2Cc2cccc(C#N)c2)cc1 1559559465 RWGAEBLDRWOKAV-UTKZUKDTSA-N 304.437 4.840 30 20 DJED CCc1nnc(Nc2ccc(C(C)(C)CC)cc2)c(C#N)c1CC 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Cc1ccccc1[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)C1CC1 271860997 KJJWXACXRWHIQF-HRAATJIYSA-N 320.436 4.699 30 20 DJED C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1cccc2ccccc12 302184498 SPHGYGAFDNZEEQ-CYBMUJFWSA-N 317.348 4.793 30 20 DJED C=C(C)C(C)(C)C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 424581283 YOPXLIJZMGTQNG-UHFFFAOYSA-N 310.397 4.760 30 20 DJED COc1cccc(CCCSCc2cc(C#N)ccc2F)c1 437422988 DDHXNOPQEPXXAZ-UHFFFAOYSA-N 315.413 4.572 30 20 DJED C=CCSc1ccccc1C(=O)N[C@H]1C[C@H](c2ccccc2)C1 437437196 FVAJHTUFBATCBD-QAQDUYKDSA-N 323.461 4.641 30 20 DJED C[C@H](CC(=O)N[C@@H](CCC#N)c1ccccc1)C1CCCCC1 439666272 OHWBRCPGBPHEET-APWZRJJASA-N 312.457 4.754 30 20 DJED CC(C)(C)CC(C)(C)NC(=O)N[C@@H](CCC#N)c1ccccc1 440249555 ZSIHEYJGDKKWTA-INIZCTEOSA-N 315.461 4.545 30 20 DJED C=CCOCCCC(=O)N(CCC)c1cccc2ccccc12 443860993 QTGOVGUWJUXEGW-UHFFFAOYSA-N 311.425 4.566 30 20 DJED C=CC[C@H]1N(C(=O)Nc2ccc(F)cc2C)CCCC1(C)C 444817665 MNWZTVLQPHDDCA-MRXNPFEDSA-N 304.409 4.733 30 20 DJED C[C@H](C#N)C(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl 447620312 OSARPHLFEJZBBI-SNVBAGLBSA-N 319.191 4.759 30 20 DJED C=CC[C@H]1N(C(=O)Nc2c(C)cc(C)nc2C)CCCC1(C)C 455527694 QMJLIQRMBWPYML-MRXNPFEDSA-N 315.461 4.605 30 20 DJED CC(C)[C@@H]1CCc2ccccc2[C@H]1NCc1ccc(C#N)s1 462553735 QJSSXUKKINGFII-HKUYNNGSSA-N 310.466 4.669 30 20 DJED C=CCSc1ccccc1C(=O)NCCc1ccc(C=C)cc1 462568121 XWBGNPFWFNLASI-UHFFFAOYSA-N 323.461 4.580 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc(Cl)c(OC)c1)c1ccccc1 469106575 XGKVJUGDGIGTNN-OAHLLOKOSA-N 315.800 4.647 30 20 DJED CCCC[C@H](CCC)NC(=O)C[C@H](CC#N)c1ccccc1 476243837 FFHVSHFVFUWKCO-ROUUACIJSA-N 300.446 4.549 30 20 DJED C=CCOCCCS[C@@H](C)c1ccc(OC(F)F)cc1 479582112 JMTWZYLKLHCYRT-LBPRGKRZSA-N 302.386 4.675 30 20 DJED C=CCCCC(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 480017259 SOTMBQAVHIPUPI-ZDUSSCGKSA-N 313.363 4.672 30 20 DJED C=C(C)[C@H](N[C@@H]1CCc2c(F)cccc21)c1ccc(F)c(F)c1 480677372 QNJCURIMJCOGJC-MOPGFXCFSA-N 317.354 4.998 30 20 DJED CCN(C(=O)c1ccc(C#N)s1)[C@@H](C)c1cc2ccccc2o1 486693801 JYCBDGGFBGQSDR-LBPRGKRZSA-N 324.405 4.589 30 20 DJED C[C@@H](CCc1c(F)cccc1F)N[C@@H](C)c1ccc(C#N)cc1 510654487 YGJBXHIHWWVACK-KBPBESRZSA-N 314.379 4.508 30 20 DJED C[C@@H](c1cc2ccccc2o1)N(C)Cc1cccc(C#N)c1F 512449689 KDBJUNGCZBUTJH-ZDUSSCGKSA-N 308.356 4.637 30 20 DJED C[C@@H]1CCC[C@H](c2noc(C[C@@H](CC#N)c3ccccc3)n2)C1 516892387 JGACKXIZZGSJET-OIISXLGYSA-N 309.413 4.603 30 20 DJED C=CCOc1ccccc1CN[C@@H](C)c1nccc2ccccc12 519736893 VMVRGYVTSVOSOQ-INIZCTEOSA-N 318.420 4.650 30 20 DJED C=C[C@@H](CC(=O)N(C)c1ccc2ccccc2n1)c1ccccc1 534736331 SHAKDHYBFYTICT-INIZCTEOSA-N 316.404 4.558 30 20 DJED CC(C)c1cccc(N(C)C(=O)c2ccc(C#N)c(Cl)c2)c1 547954985 UQXGBROCFQTLRF-UHFFFAOYSA-N 312.800 4.612 30 20 DJED CC(C)[C@@H](Nc1cc(C#N)ccn1)c1ccc(C(F)(F)F)cc1 553160354 JDZRHSINSBURTE-MRXNPFEDSA-N 319.330 4.781 30 20 DJED N#CCCN(C(=O)CCCC1CCCCC1)c1ccc(F)cc1 556707495 QRGCTPWCJZDKGM-UHFFFAOYSA-N 316.420 4.823 30 20 DJED CC(C)[C@H](CSc1ccccc1)NCC(C)(C)CCC#N 558244738 BZXPUQRCROCYAX-KRWDZBQOSA-N 304.503 4.723 30 20 DJED C[C@@H](N[C@H]1C[C@H](c2ccccc2Cl)C1)c1cccc(C#N)c1 559919907 STXXWAPXTRHAGQ-KBRIMQKVSA-N 310.828 4.808 30 20 DJED C[C@@H](NC1(c2ccccc2Cl)CC1)c1ccc(C#N)c(F)c1 592391768 JATFUONXGZTBFH-GFCCVEGCSA-N 314.791 4.691 30 20 DJED CCC(C#N)(CC)C(=O)Nc1ccc(NC2CCCCC2)cc1 599232106 OCLRGVITXLSAGJ-UHFFFAOYSA-N 313.445 4.700 30 20 DJED N#Cc1ccc(/C=C\c2csc(-c3ccc(Cl)cc3)n2)nc1 603894450 VIHFDHVDDGROKX-FPLPWBNLSA-N 323.808 4.901 30 20 DJED CCc1cc(C#N)c(NC(=O)C[C@H](C)c2ccccc2C)s1 609693726 DWVIHIJLXZWQIK-ZDUSSCGKSA-N 312.438 4.623 30 20 DJED Cc1ccc2cc([C@H](C)N[C@H]3CCc4cc(C#N)ccc43)oc2c1 618805350 GQOAWJWGSRNARB-LIRRHRJNSA-N 316.404 4.951 30 20 DJED C[C@H](/N=C/c1ccccc1O)c1nc(-c2ccccc2)cs1 730434696 QSDJRDWDMUASGX-MDBUFAAASA-N 308.406 4.696 30 20 DJED CCc1nc([C@@H](C)/N=C\c2c(O)ccc3ccccc23)cs1 731939124 YVYANNQCFFTOBF-FGHSJCFPSA-N 310.422 4.744 30 20 DJED C#Cc1cccc(N(Cc2ccccc2)Cc2cnc(C)s2)c1 732200675 HVAUWTZJPUPYGK-UHFFFAOYSA-N 318.445 4.640 30 20 DJED FC(F)(F)c1cccc(NN=C(CC2CC2)c2ccccc2)n1 739421070 CEVSKDYXVAPMPM-UHFFFAOYSA-N 319.330 4.717 30 20 DJED C#Cc1cccc(NC(=O)N(CCCC)[C@@H](C)c2ccc(C)o2)c1 746657930 BFKQDCZPCAAONT-INIZCTEOSA-N 324.424 4.965 30 20 DJED Cc1cc(F)ccc1C(=O)/C=C\c1coc(-c2ccccc2)n1 749892938 CIDHRYCSNGYBAD-NTMALXAHSA-N 307.324 4.685 30 20 DJED Cc1ccc(CCCC(=O)O[C@@H](C)c2cccc(C#N)c2)s1 751176289 QLMXSHLQFAKNCD-AWEZNQCLSA-N 313.422 4.555 30 20 DJED C#CCCCC(=O)Nc1ccccc1SCc1ccccc1 757870184 BSZDOIPYSPWEPJ-UHFFFAOYSA-N 309.434 4.721 30 20 DJED CCc1ccc(C(=O)/C=C/c2cnc(C3CCC3)s2)s1 760264007 PGWQAVPYOOQZTO-SOFGYWHQSA-N 303.452 4.931 30 20 DJED Fc1cccc(Cl)c1NN=C1CCC2(CCOCC2)CC1 769827168 QELUEINXGDADKQ-UHFFFAOYSA-N 310.800 4.618 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)c(F)c1 772801962 JHUBSDGIBTXVLH-MDZDMXLPSA-N 301.320 4.747 30 20 DJED CCC1(C=NNc2ccc(Cl)c(Cl)c2)CCOCC1 781124117 WOOVDNAPACUGEF-UHFFFAOYSA-N 301.217 4.598 30 20 DJED CC(=NNc1cccc(Cl)c1)c1ccc(C#N)cc1Cl 788407751 FTSXYXMHVGZWOL-UHFFFAOYSA-N 304.180 4.701 30 20 DJED C=CCCCCC[C@@H](C)Nc1ccc(OC)c(NC(C)=O)c1 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CC(C)(C#N)CCN1CCC(CCc2ccc(F)cc2F)CC1 1195631195 RZKHAZQMSACAQJ-UHFFFAOYSA-N 320.427 4.549 30 20 DJED CC[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)C1CC1 1196198371 JYFOIGUMKOGNOL-OAQYLSRUSA-N 318.464 4.665 30 20 DJED CCN(CCCc1cccc(F)c1)[C@H](C)c1ccc(C#N)cc1 1307425799 OWBCTHJHZRDLBC-MRXNPFEDSA-N 310.416 4.713 30 20 DJED CC[C@](C)(C#N)C(=O)Nc1ccc(SC(C)(C)C)c(F)c1 1324997211 ULMURYDONVFCOF-MRXNPFEDSA-N 308.422 4.595 30 20 DJED CC(C)[C@H]1CCCCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 1458361748 ZKIVSQFTKAGYSO-GOSISDBHSA-N 312.457 4.529 30 20 DJED C[C@H](SCc1cc(C#N)ccn1)c1cccc(C(F)(F)F)c1 1459197139 QMAPJGTWYFLYHE-NSHDSACASA-N 322.355 4.966 30 20 DJED C[C@@H](NCC1(CC#N)CC1)c1ccc(-c2cccc(C#N)c2)cc1 1459929912 GQFSPVIVEIBHSD-MRXNPFEDSA-N 315.420 4.570 30 20 DJED CCN(Cc1ccc2ccccc2c1)Cc1cccc(C#N)c1F 1473121210 KYAFNQXJVNWWQN-UHFFFAOYSA-N 318.395 4.873 30 20 DJED C[C@H](CC(=O)N(C)c1cc(Cl)ccc1C#N)C1CCCCC1 1516249523 FFLJYLCIYUBHHJ-CYBMUJFWSA-N 318.848 4.781 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)c2ccccc2-c2ccccc2)C1 1525049145 REZQCQIKFSRFJF-WBVHZDCISA-N 305.377 4.593 30 20 DJED Cc1ccc(C(=O)O[C@@H](C)c2cccc(OC(C)C)c2)cc1C#N 1538655315 XMJDOWLHQMTYIQ-HNNXBMFYSA-N 323.392 4.572 30 20 DJED C[C@@H]1c2c(sc(NC(=O)CCC3(C)CC3)c2C#N)CC[C@H]1C 1595892375 QGDXMQQNWAXFHZ-NEPJUHHUSA-N 316.470 4.824 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2CCC[C@H]2c2cccc(F)c2)n1 1611833835 HQFMWHQRMBHDRL-KRWDZBQOSA-N 323.415 4.731 30 20 DJED Cc1nc(N[C@@H](C)c2ccc(SC(C)C)cc2)ccc1C#N 1611958573 MGWYVLATJKNTJH-ZDUSSCGKSA-N 311.454 4.935 30 20 DJED Cc1cc(CN[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)ccc1C#N 1620971511 PHEQVNVIPHDZIN-XLIONFOSSA-N 324.855 4.946 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)CCc1c(F)cccc1Cl 1646330986 POETXASLHSGHQS-ZDUSSCGKSA-N 316.807 4.586 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1ccc(OC(F)F)cc1 1652903335 LLLZGRNZLYOZKF-UHFFFAOYSA-N 323.726 4.701 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@H]1CNc1ccc(Cl)c(C#N)n1 1655066117 NWFUVPMHUGRJGH-QWHCGFSZSA-N 305.853 4.871 30 20 DJED CC(C)C[C@H](C)NCc1cccc(OCc2ccccc2C#N)c1 1655968419 KICKYOHAQBZYMW-KRWDZBQOSA-N 322.452 4.661 30 20 DJED CCC[C@H](Cc1ccccc1)Nc1ccc(F)cc1OCC#N 1658791964 UGDLIRGQNHPGET-QGZVFWFLSA-N 312.388 4.551 30 20 DJED CC1(C)OB(C23CC(C[C@H]2CCc2ccccc2)C3)OC1(C)C 2090608771 XBDMCGJYWWABSE-OHTSDLOESA-N 312.262 4.882 30 20 DJED CC(C)(C)CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32290448 CZAZXBUSVBOFBD-UHFFFAOYSA-N 322.408 4.512 30 20 DJED C=CCC(CC=C)C(=O)Nc1cc(-c2ccncc2)ccc1C 129893349 PDWYEUKSAKGRJJ-UHFFFAOYSA-N 306.409 4.764 30 20 DJED C=CCCC(=O)N1C[C@@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 136057041 MEUDALQNLVPMFQ-SWLSCSKDSA-N 311.347 4.581 30 20 DJED C[C@H](CC(=O)[C@H](C#N)c1nc2ccccc2o1)C1CCCCC1 171330370 UTBCHHQRTYFNMD-HIFRSBDPSA-N 310.397 4.611 30 20 DJED CCN(c1ncccc1C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 301300992 XQBVZRSJUDQKBD-LBPRGKRZSA-N 319.330 4.560 30 20 DJED CC[C@H](CC(=O)Nc1ccc(F)c(C#N)c1)c1ccc(C)cc1 303902618 SVBUQUXFUADNIT-CQSZACIVSA-N 310.372 4.528 30 20 DJED Cc1cc(C)cc([C@H](C)/N=C(/O)Nc2scnc2C2CC2)c1 328904658 AGAVQRIKDLXIBW-LBPRGKRZSA-N 315.442 4.724 30 20 DJED C[C@H]1C(=O)CC[C@H]1CC(O)=Nc1ncc(C2CCCCC2)s1 330035208 XBNHJFGFQJWLFU-YPMHNXCESA-N 320.458 4.784 30 20 DJED Cc1c(C(=O)Nc2ccccc2CC#N)sc2ccc(F)cc12 339186512 RVVNCRRBDUZJAR-UHFFFAOYSA-N 324.380 4.667 30 20 DJED CCN(CCC#N)C(=O)c1ccc(C)cc1Sc1ccccc1 344763519 MVCPSRWPEDGNON-UHFFFAOYSA-N 324.449 4.522 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)CC1CCC(=O)CC1 356167799 LJKVAQAJCCPUJZ-UHFFFAOYSA-N 313.441 4.626 30 20 DJED C[C@H](C#N)Oc1ccccc1N[C@@H]1CCC[C@H](c2cccnc2)C1 369216931 WCGKZTDPRHSJFY-SOLBZPMBSA-N 321.424 4.511 30 20 DJED C=CCOc1ccc(CN(C(=O)CC2(C)CC2)C(C)(C)C)cc1 428941285 IEFZHEUDQMOWIR-UHFFFAOYSA-N 315.457 4.569 30 20 DJED C=C[C@@](C)(CCOC)C(=O)Nc1cccc(Nc2ccccc2)c1 437845774 SIRBYMHWUOMAJN-FQEVSTJZSA-N 324.424 4.598 30 20 DJED N#C[C@@H]1CC[C@@H](NCC2(c3cccc(Cl)c3F)CCCC2)C1 442860065 RNEOMSTZOPMDAS-ZIAGYGMSSA-N 320.839 4.573 30 20 DJED N#C[C@@H]1CCC[C@@H](NC2(c3cccc(C(F)(F)F)c3)CCC2)C1 447584433 GAIXWPZZCMQNMJ-CZUORRHYSA-N 322.374 4.757 30 20 DJED CC(C)(CN[C@H]1CCC[C@@H](C#N)C1)Cc1cccc(Cl)c1 463244314 GTYHQBPCNAERSH-WBVHZDCISA-N 304.865 4.581 30 20 DJED C=CCOc1ccc(O[C@H](C)c2ncc(C(C)(C)C)o2)cc1 464866933 BRFZEOUHGNTXKB-CYBMUJFWSA-N 301.386 4.677 30 20 DJED N#C[C@@H]1CC[C@@H](N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 471606611 OIPQYUNDIBSKGX-AHRSYUTCSA-N 324.855 4.906 30 20 DJED C[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1-c1ccc(Cl)cc1 473559265 DPPCHHSYYLISIU-JTQLQIEISA-N 319.191 4.759 30 20 DJED CCCC(C#N)(CCC)NC(=O)[C@@H](C)c1ccc2ccccc2c1 475743183 FHVNALJCMWKJAV-INIZCTEOSA-N 322.452 4.922 30 20 DJED N#CCCCN1CCC(=Cc2cc(Cl)ccc2Cl)CC1 476999691 WOCFCCKNZRNBHT-UHFFFAOYSA-N 309.240 4.776 30 20 DJED COCCCC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 479501019 WFOGTXDPAQRFIS-LAUBAEHRSA-N 322.452 4.767 30 20 DJED C=CCC1(C(=O)Nc2sc(-c3ccccc3)nc2C)CCC1 480559312 UISAKNCKLSIFJY-UHFFFAOYSA-N 312.438 4.803 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1ccc(OCC)cc1 484991873 CQROPSMIQGNPCT-UHFFFAOYSA-N 316.445 4.686 30 20 DJED Cc1cc(CNC2(c3ccc(F)cc3)CCCC2)ccc1C#N 488188901 YZSFNKWJSJRSPR-UHFFFAOYSA-N 308.400 4.565 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(OCCCC)cc1C 488372070 SKZNLIDKCMDYKG-MRXNPFEDSA-N 316.445 4.746 30 20 DJED C=C(C)CCc1noc(-c2cncc(-c3ccc(C)cc3)c2)n1 508684431 BHNZFWOQPOCULS-UHFFFAOYSA-N 305.381 4.616 30 20 DJED CC(C)[C@H]1CC[C@H](C(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 509679206 NOLFDBAWCQFDHW-WGSAOQKQSA-N 324.468 4.512 30 20 DJED CCCc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1 516338823 YBHWAALELNNLPF-UHFFFAOYSA-N 320.436 4.562 30 20 DJED C=CCCO[C@@H](C)C(=O)Nc1ccc2oc3ccccc3c2c1 519071578 QBYIBNNNNJVVCJ-ZDUSSCGKSA-N 309.365 4.506 30 20 DJED C=CCN(Cc1cccs1)C(=O)[C@H](C)SC(CC)CC 519963991 IKMFWRKYCTXBGD-ZDUSSCGKSA-N 311.516 4.573 30 20 DJED Cc1cnc([C@@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)o1 537772369 SBABZTZTJJVDHD-CQSZACIVSA-N 319.364 4.820 30 20 DJED C=C(CC)CN1CCC(c2nc3cc(Cl)ccc3o2)CC1 540202767 KUFJIEMMFHEXSW-UHFFFAOYSA-N 304.821 4.627 30 20 DJED C=C[C@@H](CC(=O)NC[C@@H](c1ccccc1)C1CC1)c1ccccc1 563906382 HMRIKFOFHRYYRI-UWJYYQICSA-N 319.448 4.656 30 20 DJED C[C@H](CC1CCCCC1)C(=O)N[C@@](C)(C#N)C1CCCCC1 568312757 DYCOPQDKIXRGNV-BEFAXECRSA-N 304.478 4.572 30 20 DJED C=C[C@H](CC(=O)N(C)c1cc(Cl)ccc1C)c1ccccc1 575016120 DZMLKRMWCNCVRR-OAHLLOKOSA-N 313.828 4.971 30 20 DJED Cc1ccc(NC(=O)CCCCCC#N)cc1OCCC(C)C 588379489 NCQCZLRJEDZMJV-UHFFFAOYSA-N 316.445 4.833 30 20 DJED N#CCCCCCC(=O)Nc1ccc(F)cc1OC1CCCC1 588949462 BHVRQCXOYIDWQJ-UHFFFAOYSA-N 318.392 4.560 30 20 DJED CC[C@H](CC(=O)N(CCC#N)CCC(C)C)c1ccc(C)cc1 609988107 KXELQCYBYONOTC-GOSISDBHSA-N 314.473 4.667 30 20 DJED C[C@]1(C#N)CCCN(C(=O)CC2CCC(c3ccccc3)CC2)C1 612251160 NZEYBZVFDAEUGW-CNBHCMJISA-N 324.468 4.503 30 20 DJED Cc1ccsc1C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 733749693 UJGXKKWUENHLQH-HWKANZROSA-N 307.758 4.514 30 20 DJED CCCCCCCC(=O)N[C@@H](c1ccccc1)C1CCOCC1 734351825 DSNHKKUNGRZKIN-FQEVSTJZSA-N 317.473 4.631 30 20 DJED Cc1ccc(NN=C(CC(C)(C)C)c2ccc(Cl)cc2)nn1 740761601 BJFDJWFCOOJTRI-UHFFFAOYSA-N 316.836 4.691 30 20 DJED CCCCCC[C@H](C)C(=O)Oc1c(Cl)cc(C#N)cc1OC 741886200 AKWAFTHIOHKYPI-LBPRGKRZSA-N 323.820 4.732 30 20 DJED CCC(=NNc1cc(F)c(F)cc1F)c1cc(F)ccc1F 743440266 GLHBATAKEKQSHA-UHFFFAOYSA-N 314.257 4.608 30 20 DJED CCn1nc(C)c(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)c1C 750911068 XFFOHLZPIYRTQH-AATRIKPKSA-N 323.223 4.723 30 20 DJED COc1ccc(-c2ccccc2)cc1/C=C\C(=O)c1cccnc1 756782295 BERHGFMDFKZBHV-LUAWRHEFSA-N 315.372 4.653 30 20 DJED FC(F)(F)CC(=NNc1ccccn1)c1ccc(Cl)cc1 763345919 NDDNXVMSOYILNN-UHFFFAOYSA-N 313.710 4.504 30 20 DJED O=C(/C=C\c1cc(Cl)ccc1Br)c1ccco1 769771610 RCFYQKJLTOMBJN-UTCJRWHESA-N 311.562 4.592 30 20 DJED C[C@@H](C#N)COC(=O)c1sc2cc(Cl)ccc2c1Cl 770929842 AMRIMUADGAJWLM-ZETCQYMHSA-N 314.193 4.525 30 20 DJED C[C@@H]1Sc2sccc2C(=O)/C1=C/c1ccc(C#N)cc1F 772805516 IOINCIPCPPBEEF-PBJWJZLWSA-N 315.394 4.519 30 20 DJED CC[C@H](Nc1ccc(OC)c(Cl)c1)c1ccc(C#N)cc1 774274456 UGENPESCWBSANG-INIZCTEOSA-N 300.789 4.783 30 20 DJED Cc1c(C=NNC[C@@H]2CCSC2)sc2c(Cl)cccc12 814935224 JGAIXGJECBPZQY-NSHDSACASA-N 324.902 4.540 30 20 DJED C=CCCc1noc(-c2ccc(C3SCCCS3)cc2)n1 834814959 RAAGLZXTHUACRS-UHFFFAOYSA-N 318.467 4.724 30 20 DJED C#Cc1cccc(NC(=O)c2cc3ccccc3c3cccnc23)c1 915837396 AWOIZDBUIDECRR-UHFFFAOYSA-N 322.367 4.622 30 20 DJED CC(=NNc1ccccc1Cl)c1ccccc1Br 916262296 BKLVGWXVDLITBN-UHFFFAOYSA-N 323.621 4.939 30 20 DJED CCCCN(C(=O)c1ccc(F)c(C#N)c1)[C@H]1CCC[C@@H](C)C1 1129417688 WPLBEGXJDBPZCJ-PBHICJAKSA-N 316.420 4.518 30 20 DJED CC[C@@H]1CCCC[C@H]1CNc1c(Br)cccc1C#N 1163403334 JFUYACRMGSTCRE-OCCSQVGLSA-N 321.262 4.949 30 20 DJED N#Cc1cc2c(nc1S[C@H]1CCc3ccc(F)cc31)CCCC2 1165462705 DFNGLMBUNNUJGK-SFHVURJKSA-N 324.424 4.751 30 20 DJED N#Cc1ccccc1CSc1nc2cc(F)cc(Cl)c2o1 1166029806 HYQZJULKEFOZHH-UHFFFAOYSA-N 318.760 4.784 30 20 DJED C[C@H]1C[C@H]1c1ccc(CN(c2cccc(F)c2C#N)C2CC2)o1 1306927990 NEFJJDITEOWUPU-SWLSCSKDSA-N 310.372 4.583 30 20 DJED CC(C)c1ccc(C[C@@H]2CCN(Cc3ccc(C#N)s3)C2)cc1 1307656554 VPJWXGQTWWEAJV-KRWDZBQOSA-N 324.493 4.808 30 20 DJED CC(C)CCc1nc(COc2cc(Cl)ccc2C#N)cs1 1458989590 FAASDWSVZISOJN-UHFFFAOYSA-N 320.845 4.836 30 20 DJED C[C@H]1CCC[C@H](CNc2c(C#N)cnc3c(Cl)cccc23)C1 1472669347 JGODUGMEFPKJHB-STQMWFEESA-N 313.832 4.998 30 20 DJED Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)c1cccc(C#N)c1 1521237341 ZCWVSHNDSCMHAH-QGZVFWFLSA-N 320.436 4.726 30 20 DJED Cc1ccc(C#N)cc1NC(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 1524610830 ROCZXROVMLAYEY-RDJZCZTQSA-N 318.420 4.795 30 20 DJED CCSc1ccc(Cl)cc1C(=O)O[C@H]1CCC[C@@H](C#N)C1 1535479692 XCAMZEHMIQSZOP-YPMHNXCESA-N 323.845 4.691 30 20 DJED CCC(C#N)(CC)C(=O)N[C@H](C)c1sc2ccccc2c1C 1536554568 ZSQSLYXFHXGHPK-CYBMUJFWSA-N 314.454 4.717 30 20 DJED CC[C@@H](C(=O)OCc1cc(C#N)ccc1F)C1CCC(C)CC1 1542583377 QYELBZQURMQAOA-PUJMQQBBSA-N 317.404 4.593 30 20 DJED N#Cc1c(F)cccc1N1CCCC[C@@H]1c1cc2ccccc2[nH]1 1559135032 UKKOEYNJHZUCOX-HXUWFJFHSA-N 319.383 4.910 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2coc3ccc(C(C)C)cc23)c1 1583755078 PRGQJPCJHKVXFT-UHFFFAOYSA-N 318.376 4.989 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H]2CCCC[C@H]2C)n1 1613423797 MNQICRIUVDUTBP-NOZJJQNGSA-N 314.376 4.951 30 20 DJED N#CC1(CCN2CCC[C@@H]2Cc2ccc(F)cc2)CCCCC1 1652325082 IZORWJLTUMYJMC-LJQANCHMSA-N 314.448 4.697 30 20 DJED Cc1cc(CN(C)Cc2ccc(Cl)c(Cl)c2)ccc1C#N 1657648974 LWKGWQBTTRRYBY-UHFFFAOYSA-N 319.235 4.806 30 20 DJED CCOc1c(Cl)cccc1CN(CCC#N)CCC(C)C 1658956460 ZMQOPAQYUOJWSB-UHFFFAOYSA-N 308.853 4.500 30 20 DJED C[C@H]1C[C@H](N(CCC#N)CC(C)(C)C)c2ccsc2S1 1663721840 NQRRLUGMIKVQAZ-JSGCOSHPSA-N 308.516 4.935 30 20 DJED CCCc1c(N[C@H](C)CC2CCC2)cnn1-c1cccc(C#N)c1 1664359777 ZNKICZSPCGZPKC-OAHLLOKOSA-N 322.456 4.687 30 20 DJED CCCCCCCCCCCN(C)Cc1cncc(C(=O)O)c1 1776784549 DDRWXZWVCBOSTM-UHFFFAOYSA-N 320.477 4.742 30 20 DJED O=C(/C=C/c1ccc(F)c(C(=O)O)c1)c1ccc(C2CCC2)cc1 1777570153 YWGJJKLBZILLAI-VZUCSPMQSA-N 324.351 4.688 30 20 DJED C#Cc1cccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 2090611381 YIUOQFQIMOKOBQ-UHFFFAOYSA-N 323.701 4.592 30 20 DJED N#Cc1cc(NCc2ccccc2C(F)(F)F)ccc1Cl 35055073 GIEOMYMBNCZYBU-UHFFFAOYSA-N 310.706 4.843 30 20 DJED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1cnc2ccsc2c1 90665112 WJCDIJVDPNOMOM-RHSMWYFYSA-N 321.449 4.992 30 20 DJED N#CCc1ccc(NCc2cc(F)cc(C(F)(F)F)c2)cc1 121539584 FKXLEGDMEKVLJJ-UHFFFAOYSA-N 308.278 4.523 30 20 DJED C[C@H](C#N)Oc1ccc(/C=C/C(=O)c2coc3ccccc23)cc1 159013187 KZHLDTNVGCEUOH-BMGYJQCNSA-N 317.344 4.620 30 20 DJED C=CCC[C@@H](NCc1csc(CCC)n1)c1ccccc1 180034979 OCLRFAFMCKSXHB-QGZVFWFLSA-N 300.471 4.893 30 20 DJED CC(C)c1ccccc1NC(=O)C[C@H](C)Nc1cccc(C#N)c1 182944216 AXNRTNIXFMQPAD-HNNXBMFYSA-N 321.424 4.511 30 20 DJED C#Cc1cccc(NCc2cc(Br)ccc2Cl)c1 230574356 PKZFPSUBGNKGAQ-UHFFFAOYSA-N 320.617 4.696 30 20 DJED C[C@H](N[C@H]1CCCc2c1[nH]c1ccccc21)c1ccc(C#N)cc1 289160171 GYBGKYVXPKCKIH-XOBRGWDASA-N 315.420 4.768 30 20 DJED N=C(O)C1CCC(/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 329070801 NMMWGGNIWOBOQC-NXSPZCGBSA-N 306.450 4.643 30 20 DJED Cc1cc(C)nc(N=C(O)C2CCC(c3ccccc3)CC2)n1 329640961 XKXHFICAQYRJPM-UHFFFAOYSA-N 309.413 4.655 30 20 DJED Cc1csc(C2(NCCC3(C#N)CCCCC3)CCCC2)n1 411395506 ZTTVACPHUNEZDT-UHFFFAOYSA-N 317.502 4.675 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(Cl)c(Cl)c1 435666617 ABTSGEFLDOOEPW-GHJWDPDVSA-N 314.256 4.625 30 20 DJED C=C(C)COc1cccc(NC(=O)N2C[C@H](C)CCC[C@H]2C)c1 438113872 CMBSBQZJGQVGCJ-HZPDHXFCSA-N 316.445 4.684 30 20 DJED CC[C@@H](NCc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 447526751 CJGKERCVUMREMF-QGZVFWFLSA-N 318.342 4.818 30 20 DJED Cc1ccc([C@H](NC2CCC(C)(C#N)CC2)c2ccccn2)cc1 449295569 TUEONRGGALVWRR-CKHPTIKVSA-N 319.452 4.542 30 20 DJED C=C[C@@](C)(CC)C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C 468006765 UQBJAPHFQQHBRK-YJYMSZOUSA-N 315.413 4.529 30 20 DJED C=CCCC1(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)CC1 475114135 SPIBKIYNAYVVFY-LBPRGKRZSA-N 311.347 4.629 30 20 DJED C[C@@H](Nc1cccc(Cl)c1C#N)c1ccc(OC(F)F)cc1 492576331 AYUYROBVLODKKU-SNVBAGLBSA-N 322.742 4.986 30 20 DJED FCCCCN[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 509007589 SPVVFUBYDFTYDG-NSHDSACASA-N 317.248 4.648 30 20 DJED C=CCOc1cccc(NC(=O)c2cc(C)c(C)cc2Cl)c1 510200097 RWKRNGJXXXESCL-UHFFFAOYSA-N 315.800 4.774 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCC(C)(C)C1 514221478 DQVLMQJTSXJPOD-UONOGXRCSA-N 316.470 4.703 30 20 DJED CCOc1ccc(C#N)cc1N[C@@H](C)c1ccc(F)c(Cl)c1 518744005 VOMGHINJQZVZCB-NSHDSACASA-N 318.779 4.923 30 20 DJED C=CC[C@H](C)NC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 523941990 MBONYPPGLLCXLP-XJKSGUPXSA-N 306.425 4.567 30 20 DJED C=C1CCN(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)CC1 534473787 YCIMWZATEIYURP-UHFFFAOYSA-N 322.330 4.512 30 20 DJED C=C[C@H](CC(=O)N[C@H](C)[C@@H](C)c1ccccc1)c1ccccc1 536171977 WVXVNRMBTFSIFC-KZNAEPCWSA-N 307.437 4.655 30 20 DJED C=C[C@@H](CC(=O)Nc1cc(Cl)ccc1F)c1ccccc1 536253760 RDCUJVKTCAXVFL-LBPRGKRZSA-N 303.764 4.778 30 20 DJED C=CCCC[C@H](C)NC(=O)N1CCc2sccc2[C@H]1CC 538367011 VVRDDPXUCIOAKH-DZGCQCFKSA-N 306.475 4.512 30 20 DJED C=CC[C@@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 539502446 BXRHEVGFQQPDNA-LLVKDONJSA-N 320.776 4.562 30 20 DJED N#Cc1csc(CN(Cc2ccoc2)C2CCCCC2)c1 539816827 GHUQRGCGNPNCRZ-UHFFFAOYSA-N 300.427 4.548 30 20 DJED CC(C)(CCC#N)CN1CCC(=Cc2ccccc2F)CC1 539908749 NSFSRGJZDRMWQX-UHFFFAOYSA-N 300.421 4.635 30 20 DJED CCC(=O)c1cc(Cl)ccc1OCc1ccc(CC#N)cc1 542215290 WJFGDDQZNWXFJJ-UHFFFAOYSA-N 313.784 4.578 30 20 DJED C=CCC(CC=C)c1nc(Cc2c[nH]c3cc(F)ccc23)no1 544626604 XYIKQFCGFFHIFS-UHFFFAOYSA-N 311.360 4.517 30 20 DJED C=Cc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)cc1 556429196 URWXYLJDUYUWFO-UHFFFAOYSA-N 310.422 4.813 30 20 DJED C[C@@H](NCc1ccccc1C#N)c1ccc(F)c2ccccc12 572074275 MSHPIQZGSIFYCS-CQSZACIVSA-N 304.368 4.701 30 20 DJED CCc1ccc2occ(C(=O)N(CC)c3ccc(C#N)cc3)c2c1 588934130 MLYSKXMKQDNJKY-UHFFFAOYSA-N 318.376 4.534 30 20 DJED CSc1cc(C)ccc1NC(=O)CC1(C#N)CCCCC1 597775110 QZKWNVXNKFPHBP-UHFFFAOYSA-N 302.443 4.520 30 20 DJED CCCCN(Cc1cc(C#N)ccc1F)[C@H](C)c1ccc(C)o1 604493550 GDNVMJSKYQGOKC-OAHLLOKOSA-N 314.404 4.962 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2NCC1CCC(C(F)(F)F)CC1 618742498 ZAVZXRNBEONRBK-MWHAMWOXSA-N 322.374 4.504 30 20 DJED O=C(/C=C\c1ccc(F)cc1)c1nc(-c2ccccc2)cs1 730085348 OTKFJSJHFWQJIZ-FLIBITNWSA-N 309.365 4.845 30 20 DJED O=C1/C(=C\c2ccnc3ccccc23)CSc2ccccc21 731835808 RGDKDAIJIMNGTK-KAMYIIQDSA-N 303.386 4.607 30 20 DJED Cc1ccc(N(CCC#N)C(=O)C[C@@H](C)c2ccccc2C)cc1 734813007 UHSUGZZZPWWVRP-GOSISDBHSA-N 320.436 4.744 30 20 DJED c1ccc2c(c1)oc1c(NN=C3CCC[C@H](C4CC4)C3)ncnc12 737426862 FRCZFXQGLZOVOW-ZDUSSCGKSA-N 320.396 4.744 30 20 DJED C=CCCC(=O)O[C@@H]1CCCc2nc(-c3ccccc3)sc21 741195016 NHZNFLXZFVDRPU-OAHLLOKOSA-N 313.422 4.697 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1ccc(Cl)s1 746346779 UUWUGVKRLPCJFI-ALCCZGGFSA-N 308.834 4.692 30 20 DJED CC(=NNc1ccc(C(F)(F)F)cn1)[C@H](C)c1ccccc1 746365811 CDNOTKHNERJBSD-NSHDSACASA-N 307.319 4.692 30 20 DJED Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(F)F)c2)c1 747064542 YJNMPFQZHZDIOB-CMDGGOBGSA-N 302.320 4.801 30 20 DJED N#Cc1c(Cl)nsc1N1CCC[C@@H]1c1ccc(Cl)cc1 749266433 TZXHKKIXSBUABY-GFCCVEGCSA-N 324.236 4.663 30 20 DJED C#CC[C@@H](NCc1coc(-c2ccc(C)cc2)n1)c1ccccc1 756995897 LRXABAYOWPDJEC-HXUWFJFHSA-N 316.404 4.504 30 20 DJED CC(C)=C(C)C(=O)Nc1sc2c(c1C#N)CCCCCC2 757363783 LNXDAMPPKHKHCG-UHFFFAOYSA-N 302.443 4.574 30 20 DJED CC(=NNc1c(Cl)cccc1Cl)c1sc(C)nc1C 763179954 MIGHZUCISXBYPV-UHFFFAOYSA-N 314.241 4.903 30 20 DJED COc1ccc(/C=C/C(=O)c2cc3ccccc3s2)cc1C#N 780187045 BWPVYWBKWUWPNS-SOFGYWHQSA-N 319.385 4.678 30 20 DJED CSc1ccc(/C=C\C(=O)c2cnn(C(C)(C)C)c2C)cc1 787186544 KLXCLEPAKZGNGY-FLIBITNWSA-N 314.454 4.565 30 20 DJED CC[C@H](C)CCC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 796812644 UAIBIQHXVXOYLH-JQWIXIFHSA-N 320.845 4.952 30 20 DJED Cc1ccc([C@H]2CCCCN2c2nc(Cl)c(C#N)s2)cc1 804535893 OAPASHFKYRUOPN-CYBMUJFWSA-N 317.845 4.708 30 20 DJED Cc1cc(C(=O)/C=C\c2cscc2C(F)(F)F)oc1C 811690622 FQYJJIMRIUHPTF-ARJAWSKDSA-N 300.301 4.873 30 20 DJED C=CCC(F)(F)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl 814929370 NAPXKKTWLVWVIT-SECBINFHSA-N 322.182 4.724 30 20 DJED O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CC/C1=C\c1cccc(F)c1 818238166 HTFOFBMBJINPIH-TYVLLQCESA-N 323.323 4.564 30 20 DJED CCCCCCCCCN(C)C(=O)Nc1cc(N)ccc1F 841306972 PIKZXXHBCAVTFH-UHFFFAOYSA-N 309.429 4.622 30 20 DJED CCCCCCCCC(=O)Nc1ccc(NC(=O)C2CC2)cc1 886710067 HOAQUBMRNBDFRS-UHFFFAOYSA-N 316.445 4.724 30 20 DJED CCCNc1ccc(CN[C@H](CC)c2cccc(C#N)c2)cc1 902973331 RENRSUZBBVQMDB-HXUWFJFHSA-N 307.441 4.621 30 20 DJED CC(C)Oc1ccccc1/C=C/C(=O)c1c[nH]c2ccccc12 915271167 MTDWESAWFOYTAD-VAWYXSNFSA-N 305.377 4.851 30 20 DJED O=C(/C=C\c1c(Cl)nc2ccccn12)c1ccc(Cl)cc1 916135403 YKKDFNWECKRETK-HJWRWDBZSA-N 317.175 4.537 30 20 DJED O=C(/C=C/c1ccc2c(c1)CCO2)c1ccc2ccccc2c1 917517642 UKZXGKPRZNRXGL-WEVVVXLNSA-N 300.357 4.671 30 20 DJED Cc1cc(C(C)(C)C)cc(C)c1CCNc1ccc(C#N)cn1 1161998903 XQNLZHPLUOKKHV-UHFFFAOYSA-N 307.441 4.522 30 20 DJED CCC[C@H](CCc1ccccc1)Nc1snc(Cl)c1C#N 1162605398 MXURJCNKMNICPY-CYBMUJFWSA-N 319.861 4.882 30 20 DJED C[C@H](c1ccc(F)cc1)N(C)c1nc(C(C)(C)C)ccc1C#N 1184673568 MBXOSYYYLLDJCT-CYBMUJFWSA-N 311.404 4.587 30 20 DJED N#Cc1ccsc1NC(=O)N1CCCC2(CCCCCC2)C1 1207286372 LIPXVGNNMYQYJQ-UHFFFAOYSA-N 317.458 4.588 30 20 DJED CC(C)(C)C[C@H]1CCN(Cc2cc(Cl)ccc2OCC#N)C1 1307848065 SWFNIMKIKUFSFW-CQSZACIVSA-N 320.864 4.500 30 20 DJED CC(C)C[C@H](C)CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1349230235 DHCRFSVRWTYMQS-OLZOCXBDSA-N 318.486 4.755 30 20 DJED Cc1ccc([C@H]2CCCCN2C(=O)CC2(C#N)CCCCC2)cc1 1435223193 WCBARXTYQDLCDA-LJQANCHMSA-N 324.468 4.913 30 20 DJED Cc1cc(C#N)cc(NCc2ccc(SC(F)F)cc2)c1 1474179318 NPDROWFYMDICFR-UHFFFAOYSA-N 304.365 4.794 30 20 DJED CC(C)(CN[C@@H]1CCC[C@@H](C#N)C1)c1ccc2ccccc2c1 1474651172 GMSVQOSVHYDBFG-OXQOHEQNSA-N 306.453 4.789 30 20 DJED N#CC1(CC(=O)O[C@H]2CCc3cc(Cl)ccc32)CCCCC1 1521459989 LTCUPIUWUGIFEQ-INIZCTEOSA-N 317.816 4.735 30 20 DJED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccccc2-c2ccccc2)C1 1525049142 REZQCQIKFSRFJF-NVXWUHKLSA-N 305.377 4.593 30 20 DJED CC(C)[C@H](CCc1ccccc1)C(=O)Nc1ccc(C#N)c(F)c1 1535016550 WXYZRDZQNQRSKC-SFHVURJKSA-N 324.399 4.541 30 20 DJED Cc1ccnc(NC[C@@H]2CCCC[C@@H]2c2ccccc2)c1C#N 1559190526 UCGHEIVLCCLDRU-ZWKOTPCHSA-N 305.425 4.648 30 20 DJED CC[C@@H](NCCc1ccc(C#N)cc1)c1ccc(Cl)s1 1617088132 FVYHVRJTXZJJQI-CQSZACIVSA-N 304.846 4.557 30 20 DJED C[C@@H](CCC#N)CN1CCc2ccc(-c3ccccc3)cc2C1 1621363926 WPJIADXSKJLQOX-KRWDZBQOSA-N 304.437 4.652 30 20 DJED Cc1cccc2oc(C(=O)N(C)c3ccc(C#N)c(Cl)c3)cc12 1624017365 HYYLNMCDLPIGOO-UHFFFAOYSA-N 324.767 4.543 30 20 DJED Cc1ccnc(N[C@@H](c2ccc(F)cc2F)C(C)(C)C)c1C#N 1642441642 NRVNFVXUGBOVBE-INIZCTEOSA-N 315.367 4.739 30 20 DJED COc1cc(C#N)ccc1CN1CCCc2cccc(C(C)C)c21 1653913244 QDNHVXRMSQMYLW-UHFFFAOYSA-N 320.436 4.643 30 20 DJED CC(C)(C)[C@H]1CCCC[C@H]1CNc1ccc(Cl)c(C#N)n1 1655066118 NWFUVPMHUGRJGH-STQMWFEESA-N 305.853 4.871 30 20 DJED CCN(CCCc1ccccc1OC)[C@@H](C)c1ccc(C#N)cc1 1657037031 KWJMRVCSJNTQLH-KRWDZBQOSA-N 322.452 4.583 30 20 DJED CCCc1cccc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 1657255711 OXMLGOKTBXWKNW-YADHBBJMSA-N 318.464 4.911 30 20 DJED CC[C@@H](Cc1ccccc1)N(C)Cc1ccccc1C(C)(C)C#N 1657431496 MCYHEDYOSYNEFU-FQEVSTJZSA-N 320.480 4.941 30 20 DJED N#Cc1ccc(CN[C@H]2CCC[C@H]2Cc2ccccc2)cc1Cl 1657885725 BHLSNHKTUQFSMG-PXNSSMCTSA-N 324.855 4.713 30 20 DJED Cc1cc(CN(C)[C@H](c2ccccc2)C(F)(F)F)ccc1C#N 1658503750 XZBQFCMZJWIJAX-QGZVFWFLSA-N 318.342 4.602 30 20 DJED CSc1ccc(CN(Cc2ccc(C#N)cc2)CC(C)C)o1 1663845605 WEQZFHHRERSNCQ-UHFFFAOYSA-N 314.454 4.531 30 20 DJED C=C(Cl)CNC(=O)Nc1ccc(OCC2CCCCC2)cc1 1668510334 YZSRREWUKQOTEZ-UHFFFAOYSA-N 322.836 4.520 30 20 DJED O=C1/C(=C\c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc21 539460 PLEVXULQDIYLNM-UDWIEESQSA-N 314.340 4.675 30 20 DJED C=CCOc1ccc(CN[C@@H](CC)c2ccccc2)cc1OC 66117001 YXBZFJRULVKNKD-SFHVURJKSA-N 311.425 4.501 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1F 78385342 OJNTZOFHMJTAGU-UHFFFAOYSA-N 324.808 4.761 30 20 DJED N#Cc1ccc(SCc2nc(C3CCCC3)no2)c(Cl)c1 163291460 ISQPDRHYJNXHNB-UHFFFAOYSA-N 319.817 4.545 30 20 DJED Cc1ccccc1[C@H](C)CC(=O)[C@@H](C#N)c1nc2ccccc2o1 172210011 YRTSKWSURFAYRO-GDBMZVCRSA-N 318.376 4.506 30 20 DJED CCSc1ccc(Cl)cc1C(=O)Nc1cccc(C#N)c1 176819970 PDJADEPWSNWYHV-UHFFFAOYSA-N 316.813 4.576 30 20 DJED C[C@@H](c1ccccc1)N(C)Cc1cccc(OCCCC#N)c1 179701297 VMDDUKOBXDOIGQ-KRWDZBQOSA-N 308.425 4.562 30 20 DJED CC[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cccc([N+](=O)[O-])c1 181577644 PZAHHVJPGDACMJ-MOPGFXCFSA-N 323.396 4.681 30 20 DJED CC#CCCCC(=O)Nc1cccc(CSc2ccccn2)c1 185555518 IXVZGCAGZINUKX-UHFFFAOYSA-N 324.449 4.506 30 20 DJED C=CCC[C@H](C(=O)Nc1cc(F)ccc1OC)c1ccccc1 188929830 ZGBCGQZFVQVIEW-INIZCTEOSA-N 313.372 4.523 30 20 DJED CC(=C/c1ccccc1)/C=C1\CCOc2ccc(F)cc2C1=O 208020976 IOCRCDZQXOAURJ-ILYHAJGMSA-N 308.352 4.821 30 20 DJED CCCn1nc(C)c(/C=C\C(=O)c2coc3ccccc23)c1C 255882011 LKFABHQOAYKZQT-KTKRTIGZSA-N 308.381 4.552 30 20 DJED COc1ccccc1-c1ccc([C@H](C)N[C@H](C)CCC#N)cc1 298854678 IUHGHAJBGXQZKB-CVEARBPZSA-N 308.425 4.705 30 20 DJED C=C(C)CN(CC)C(=O)c1ccc(-c2ccccc2Cl)o1 302177501 XKWGZWRTQHRITP-UHFFFAOYSA-N 303.789 4.638 30 20 DJED C[C@@H](NC1CC(c2ccc(Cl)cc2)C1)c1ccc(C#N)cc1 315411619 HKAMMLPPETVURG-UYCDIGJJSA-N 310.828 4.808 30 20 DJED CCSc1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)cc1 350832127 GEVUTRJWLSDAHC-GOSISDBHSA-N 324.449 4.573 30 20 DJED C[C@H](NCc1nc(-c2ccccc2)cs1)c1ccc(C#N)cc1 390667314 NBMWOMQKVNWYDF-AWEZNQCLSA-N 319.433 4.533 30 20 DJED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 410124814 XWDCQGCDLYUODF-RRFJBIMHSA-N 312.240 4.568 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1cnc2ccccc2c1 410335567 SIAFYBXQHMCELB-UHFFFAOYSA-N 315.420 4.517 30 20 DJED Cc1ccc(C)c(NC(=O)[C@H](SCCC#N)c2ccccc2)c1 413011307 ISIGWVPTIDHXSE-GOSISDBHSA-N 324.449 4.630 30 20 DJED N#CC1(CN[C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCC1 418144722 UZLKSCUQPCWMIO-HOCLYGCPSA-N 322.374 4.625 30 20 DJED C=CCC[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 435297982 WZPUFXTVUPZBSS-SFHVURJKSA-N 304.393 4.605 30 20 DJED C[C@H](Sc1ccc2c(c1)OCCCO2)c1cccc(C#N)c1 442905710 VXYNWHUMZQKZHV-ZDUSSCGKSA-N 311.406 4.573 30 20 DJED COc1c(C)cnc(CS[C@H](C)c2cccc(C#N)c2)c1C 443132307 KVTJWKWWRRRCGH-CQSZACIVSA-N 312.438 4.573 30 20 DJED CC[C@H](Nc1cnn(-c2ccccc2)c1C)c1ccc(C#N)cc1 447599879 LEEMFXGGWNAPLP-IBGZPJMESA-N 316.408 4.616 30 20 DJED CCOc1ccc(C(F)(F)F)cc1N[C@@H]1CCC[C@H](C#N)C1 463298157 BCJKZYGEKYFQRO-WCQYABFASA-N 312.335 4.598 30 20 DJED CC#CCCCC(=O)N1CCC[C@H]1c1cccc2ccccc12 464644133 RDMTWRYPAYJCGP-FQEVSTJZSA-N 305.421 4.697 30 20 DJED C=C[C@@](C)(CC)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 467881613 ZNAYOYDOWUSHMN-SFHVURJKSA-N 305.849 4.648 30 20 DJED Cc1coc2ccc(NC(=O)c3ccc(C(C)(C)C#N)cc3)cc12 476813420 GOOZCOGBIIXCCG-UHFFFAOYSA-N 318.376 4.795 30 20 DJED C=CCN(Cc1cccs1)C(=O)CCc1ccccc1Cl 493240971 BBVLOBBUCDLVLK-UHFFFAOYSA-N 319.857 4.549 30 20 DJED C=C(C)CN(C)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 497400393 JOIVVNPNKVEOLX-FQEVSTJZSA-N 322.452 4.578 30 20 DJED CC(C)(C)Oc1cc(F)ccc1NCc1ccc(C#N)cc1F 498346925 YVURYPFAQQPSKP-UHFFFAOYSA-N 316.351 4.626 30 20 DJED CC(C)(CCC#N)CN1CCC[C@@H]1Cc1ccccc1Cl 511104156 ANTCFRGFODXPRH-MRXNPFEDSA-N 304.865 4.677 30 20 DJED N#Cc1ccc(SCc2ccc([N+](=O)[O-])cc2F)c(Cl)c1 533635842 RQNLVRWZTBJLFS-UHFFFAOYSA-N 322.748 4.551 30 20 DJED CC(C)(CCC#N)CN[C@@H]1CC=C(c2ccc(F)cc2)CC1 539771219 HAUOIOJQWKDOGA-GOSISDBHSA-N 300.421 4.681 30 20 DJED C=C[C@](C)(CCOC)C(=O)Nc1cccc(-c2ccccc2)c1 553683056 RKFMWGNMGDYYKT-HXUWFJFHSA-N 309.409 4.521 30 20 DJED C[C@H](NCC(C)(C)CCC#N)c1ccc(OC(F)(F)F)cc1 554359576 RKHABGZCYIURCF-LBPRGKRZSA-N 314.351 4.566 30 20 DJED Cc1ncsc1COc1ccc(Oc2ccc(C#N)cc2)cc1 558464689 SFDAFBZRGGDLGI-UHFFFAOYSA-N 322.389 4.695 30 20 DJED C=CCSc1ccccc1C(=O)NC(C1CCC1)C1CCC1 561371562 PDWDJQQECWMTCC-UHFFFAOYSA-N 315.482 4.663 30 20 DJED CCCOc1ccc(OCCSCCC(C)(C)C#N)cc1 567390598 UJYASSAVSVTXDL-UHFFFAOYSA-N 307.459 4.527 30 20 DJED Cc1cccc([C@@H](NC(=O)CCCCCC#N)C(C)(C)C)c1 588639799 LTXPWELJPYCMDT-GOSISDBHSA-N 300.446 4.673 30 20 DJED C=CCOc1ccc(C(=O)N(c2ccccc2C)C(C)C)cc1 591786850 QNECICMXDUCOIG-UHFFFAOYSA-N 309.409 4.615 30 20 DJED CC(C)(Cc1ccccc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 609784441 QGPJNGSETXRNLB-UHFFFAOYSA-N 320.436 4.695 30 20 DJED C[C@]1(C#N)CCCN(C(=O)C2(C3CCCCC3)CCCCC2)C1 612369478 KAUDOWRJDVHFNY-LJQANCHMSA-N 316.489 4.669 30 20 DJED Cc1cc(CNc2ccc(-c3nc(C)c(C)o3)cc2)ccc1C#N 618195219 JXGHAEWYUAQUPB-UHFFFAOYSA-N 317.392 4.751 30 20 DJED CC[C@H](N[C@H]1CCCOc2cc(F)ccc21)c1ccc(C#N)cc1 618574737 IVYJEPSZLMGKFV-OALUTQOASA-N 324.399 4.652 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C/c3cccc(C)c3C)c2c1 734306979 KFBUFCNRLQGFMW-JXMROGBWSA-N 305.377 4.689 30 20 DJED CCOc1cccc2cc(C(=O)/C=C\c3cc(C#N)cs3)oc12 748441065 VWTASNKIOVACBD-SREVYHEPSA-N 323.373 4.661 30 20 DJED COc1ccc2cc(/C=C/C(=O)c3coc(C(C)C)n3)ccc2c1 752887710 KVSFJLJBKNGYKW-WEVVVXLNSA-N 321.376 4.856 30 20 DJED Cc1ccc2cc(C(=O)/C=C/c3ccccc3[N+](=O)[O-])oc2c1 754826705 WPDQQMTZEURASM-CMDGGOBGSA-N 307.305 4.546 30 20 DJED FC(F)(F)c1ccccc1ON=C[C@@H]1C[C@H]1c1ccccc1 755816448 QWQLJHOIIQRJLQ-KBPBESRZSA-N 305.299 4.874 30 20 DJED O=C1C(=Cc2ccc(F)c(Cl)c2Cl)C(=O)c2ccccc21 761474343 LGFDSRVAVRYFCQ-UHFFFAOYSA-N 321.134 4.595 30 20 DJED C=CC[C@@H](N[C@H](C)c1cc2c(s1)CCCC2)c1ccncc1 766020393 OZRYVWQZWLKGSP-RHSMWYFYSA-N 312.482 4.990 30 20 DJED C=C(C)COc1cccc(NCc2cnc3ccccc3c2)c1 770558788 KXRJMEJEMUQKHO-UHFFFAOYSA-N 304.393 4.802 30 20 DJED Cc1cc(F)ccc1-c1ccc(/C=C/C(=O)c2ccncc2)o1 776188422 OETWMTDMLADAGY-ZZXKWVIFSA-N 307.324 4.685 30 20 DJED Cc1nn(C(C)C)cc1/C=C/C(=O)c1cc2ccccc2s1 798370087 BVWXQYLTCHTKBE-CMDGGOBGSA-N 310.422 4.883 30 20 DJED CC[C@@H](Nc1nc(Cl)c(C#N)s1)c1cccc(Cl)c1 804522676 CCKPQQCANSJTBX-SNVBAGLBSA-N 312.225 4.885 30 20 DJED C[C@H](OC(=O)CCCCCC#N)c1ccc(Br)cc1 805867600 MIEXRWXIIBVCIT-LBPRGKRZSA-N 324.218 4.527 30 20 DJED CCOc1ccc(C=NOCc2ccc(Cl)c(Cl)c2)cc1 852202207 ATCKXUUXNKYDNN-UHFFFAOYSA-N 324.207 4.943 30 20 DJED CC[C@@H](N[C@H](C)c1cccc(F)c1F)c1cccc(C#N)c1 902890992 LEACDZZNSJSQSG-SJKOYZFVSA-N 300.352 4.638 30 20 DJED CCc1cccc2c(/C=C/C(=O)c3ccc(F)c(F)c3)c[nH]c12 916127680 SVIPKLRRTLBICP-VQHVLOKHSA-N 311.331 4.905 30 20 DJED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@H]2C=CCC2)cc1 1115842803 NTVMREZITMUJFG-JXFKEZNVSA-N 316.404 4.637 30 20 DJED N#CC1(CC(=O)Nc2ccc(C(F)(F)F)cc2)CCCCC1 1124376966 JTACYGKEXFMMPJ-UHFFFAOYSA-N 310.319 4.508 30 20 DJED N#Cc1cccc(N(C(=O)c2cc3occc3s2)C2CCC2)c1 1131152978 OFKFPESUOBGDQA-UHFFFAOYSA-N 322.389 4.565 30 20 DJED Cc1cccnc1[C@@H](C)Nc1c(C#N)cnc2c(Cl)cccc12 1187881174 WUQUNIBNJYHXHP-GFCCVEGCSA-N 322.799 4.636 30 20 DJED CC(=O)[C@@H](Sc1ccc(C#N)cc1Cl)c1ccccc1 1188971949 XJXJSXZRJUTEKZ-MRXNPFEDSA-N 301.798 4.634 30 20 DJED C[C@@H](CC1CCCCC1)C(=O)[C@H](C#N)c1nc(C2CC2)cs1 1344837175 PYLSEQBQLZHHOK-WFASDCNBSA-N 316.470 4.803 30 20 DJED CC(C)[C@@H]1CCC[C@H](NC(=O)CC2(C#N)CCCCC2)CC1 1435982322 XGKRHDQPLANAOG-SJORKVTESA-N 304.478 4.572 30 20 DJED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)Nc1cccc(CC#N)c1 1525934000 NXNBCYDAVHHMCO-NVXWUHKLSA-N 318.420 4.681 30 20 DJED CC[C@H](C)CC(=O)Nc1sc2c(c1C#N)[C@H](C)[C@H](C)CC2 1527164916 QYBKGJWGOKSAIF-QJPTWQEYSA-N 304.459 4.680 30 20 DJED CCC(CC)N(C(=O)CC(C)(C)C#N)c1ccc(C)c(C)c1 1535274970 VRONTVPZKPKPGE-UHFFFAOYSA-N 300.446 4.765 30 20 DJED CC[C@@H](OC(=O)CC1(C#N)CCCCC1)c1ccc(F)cc1F 1537406646 GYPZMWURGCYXBF-MRXNPFEDSA-N 321.367 4.823 30 20 DJED CCN(C(=O)C1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)c(Cl)c1 1544756851 FEFJIVMMOWBRQA-CHWSQXEVSA-N 318.848 4.637 30 20 DJED N#C[C@@H](CCc1ccccc1)Sc1nc(-c2ccccc2)co1 1559405141 RHTDGMWYPSMMMO-QGZVFWFLSA-N 320.417 4.959 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2cc3ccc(C(C)C)cc3[nH]2)c1 1639050665 YPGNVQCGHZGKAW-UHFFFAOYSA-N 317.392 4.724 30 20 DJED CCC(CC)[C@@H](CCNc1nc(C(C)(C)C)ccc1C#N)OC 1651664423 JERZIMSKWFUEAE-MRXNPFEDSA-N 317.477 4.504 30 20 DJED CCCN(Cc1cccc(F)c1C#N)[C@@H]1CCc2ccccc21 1658509886 CUEFNYRBKQJSOC-HXUWFJFHSA-N 308.400 4.597 30 20 DJED C[C@H](CCc1ccc(Cl)s1)NCc1ccc(C#N)c(F)c1 1660032359 OCNKNJLCCDAMTM-LLVKDONJSA-N 322.836 4.523 30 20 DJED C=C(CNCc1cc(Cl)c(OC)cc1Cl)c1ccccc1 1661310339 AOBIICMFFJGEOJ-UHFFFAOYSA-N 322.235 4.805 30 20 DJED Cc1cc(CN2CCc3c(cccc3C(C)C)C2)ccc1C#N 1664551718 MLLDLHPFLVUXSN-UHFFFAOYSA-N 304.437 4.548 30 20 DJED CCC[C@H](NC(=O)Nc1cc(C)cc(C#N)c1)c1ccccc1 1672282273 SAKFIEIJWVAXKT-SFHVURJKSA-N 307.397 4.530 30 20 DJED CCCCN(C(=O)c1cccc(SCC#N)c1)c1ccccc1 79384123 KGWICSKTOUKRIN-UHFFFAOYSA-N 324.449 4.749 30 20 DJED C=CCCC(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 80969568 VGFVWQCVYNIDPT-UHFFFAOYSA-N 305.299 4.676 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@H]1c1ccccc1Cl 125351931 BRURJDSCRCSBCI-KRWDZBQOSA-N 303.833 4.772 30 20 DJED N#C[C@@H](C(=O)CCC1CCC1)c1nc2cc(Cl)ccc2s1 175120415 GNIYZQYSUMLVNA-LBPRGKRZSA-N 318.829 4.706 30 20 DJED CC(C)c1nc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)cs1 186427808 OLBTUQYQLFRKRF-ZBFHGGJFSA-N 313.470 4.962 30 20 DJED N#Cc1ccc(Sc2cccc(F)c2)cc1Br 228254296 ODZDLBDPFBIMKK-UHFFFAOYSA-N 308.175 4.611 30 20 DJED C=CCC(C)(C)C(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C 297667218 HFQPQJZTQHBFAN-ZDUSSCGKSA-N 308.491 4.697 30 20 DJED CC(C)c1nc([C@H](C)/N=C(/O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n[nH]1 328934039 PWIYQTKGXDCUMY-BYNSBNAKSA-N 318.465 4.552 30 20 DJED CCc1cc(C#N)c(NC(=O)CC[C@H](C)c2ccccc2)s1 440791133 HIHBMFXWPTYSEJ-ZDUSSCGKSA-N 312.438 4.705 30 20 DJED Cc1ccc([C@H]2CSCCN2CCCCC(C)(C)C#N)cc1 444640255 NLJAPZGDQSGUNI-GOSISDBHSA-N 316.514 4.805 30 20 DJED CC[C@H](N[C@@H]1c2ccccc2CC[C@H]1C)c1ccc(C#N)cc1 447585109 IDUNAZQYZUTPML-NQERJWCQSA-N 304.437 4.923 30 20 DJED CN(Cc1ccccc1)c1ccccc1N[C@H]1CCC[C@@H](C#N)C1 463294663 FHUNLCJYRILNJO-MOPGFXCFSA-N 319.452 4.817 30 20 DJED C=CCCN(C)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 466666617 TZTTYICAAMDPBD-UHFFFAOYSA-N 322.836 4.559 30 20 DJED Cc1nc(SCc2ccccc2C#N)[nH]c1-c1ccccc1 468493325 UWBDSTNJBZFCNT-UHFFFAOYSA-N 305.406 4.549 30 20 DJED C=CCOc1cccc(CN[C@@H]2CCCc3ccc(F)cc32)c1 475494294 APMZVGBIJMHEID-HXUWFJFHSA-N 311.400 4.558 30 20 DJED CCS[C@H]1CC[C@H](N(C)Cc2ccccc2C(C)(C)C#N)C1 487392457 KQWISNYPBOXIGS-IRXDYDNUSA-N 316.514 4.594 30 20 DJED C=CCCO[C@H](C)C(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C 495427460 OCOGCBFKXGEYQB-APWZRJJASA-N 317.473 4.605 30 20 DJED CC(C)Oc1ccc(CNc2cccc(Cl)c2C#N)cc1 502107064 DPUCHDSYUSLNEA-UHFFFAOYSA-N 300.789 4.611 30 20 DJED C[C@H](CC1CCCCC1)C(=O)N[C@@H](C#N)c1ccccc1Cl 510277717 VKTYCJURPFKBHV-DYVFJYSZSA-N 318.848 4.627 30 20 DJED CC[C@H](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)C 520826185 DRYNBMVERWPNIP-LSDHHAIUSA-N 318.486 4.949 30 20 DJED C=CCCCCCN(C)CC(=O)Nc1c(C)cc(C)cc1Cl 531101477 DFJMRLANBVGTBT-UHFFFAOYSA-N 322.880 4.574 30 20 DJED C=C[C@H](CC(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 536213604 KNCJWFGGHPHTLO-CQSZACIVSA-N 310.422 4.535 30 20 DJED N#Cc1cccc(CNc2nc3ccccc3n2C2CCCC2)c1 536390753 LKNZTFQNQVAISC-UHFFFAOYSA-N 316.408 4.635 30 20 DJED CC(C)(C#N)CCCN[C@@H](c1ccccc1F)C1CCCC1 537125422 NTTCKBGJHQDGAA-GOSISDBHSA-N 302.437 4.977 30 20 DJED C=C(C)COc1cccc(NC(=O)N2CC[C@H](C(C)(C)C)C2)c1 544254236 OOMFDVKGZHILGQ-HNNXBMFYSA-N 316.445 4.541 30 20 DJED C=C[C@H](Cc1nc([C@H]2CCCCS2)no1)c1ccccc1 545808990 VFJUTNJWKWBPGI-UKRRQHHQSA-N 300.427 4.540 30 20 DJED N#CCCNc1ccc(Oc2ccc(Br)cc2)cc1 573273712 VTUOOLMIWLSQIO-UHFFFAOYSA-N 317.186 4.567 30 20 DJED N#CCCCCN[C@H](c1ccc2ccccc2c1)C(F)(F)F 599026574 IHHMBJARWHLQDY-MRXNPFEDSA-N 306.331 4.727 30 20 DJED C=CCCSCc1csc(COc2ccc(C)cc2)n1 610092651 ROBQQNUSGBDWHW-UHFFFAOYSA-N 305.468 4.840 30 20 DJED C=CCC1(C(=O)N2C[C@@H](C(F)(F)F)CC[C@H]2C)CCCCC1 660109091 YGAVBWZQEROWKK-KGLIPLIRSA-N 317.395 4.702 30 20 DJED C=CCC1(C(=O)N(C)Cc2ccc(Cl)cc2Cl)CCC1 682847877 WCAHNVXGGATHPX-UHFFFAOYSA-N 312.240 4.698 30 20 DJED Cc1cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c(C)s1 684676147 VMQPJULILUWQSB-LBPRGKRZSA-N 318.467 4.609 30 20 DJED CC(=NNc1cccc(C(F)(F)F)c1)c1ccc(O)c(C)c1 728225188 LOIOYONBOWMHIK-UHFFFAOYSA-N 308.303 4.556 30 20 DJED C#Cc1cccc(N(Cc2cccs2)Cc2cnc(C)s2)c1 728289623 RAUDLVBENZDCEM-UHFFFAOYSA-N 324.474 4.701 30 20 DJED CC/C=C(/C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 729375548 KKBPIRBDFAQWAN-RZNTYIFUSA-N 306.365 4.645 30 20 DJED C#Cc1cccc(NC(=O)N[C@H](C)c2csc3ccccc23)c1 730060874 IZRIYXBCQRSNHD-CYBMUJFWSA-N 320.417 4.765 30 20 DJED CC[C@H](CC1CCCC1)C(=O)[C@@H](C#N)c1nc2ccccc2o1 734080514 UJJJZMNWIAFFRI-HUUCEWRRSA-N 310.397 4.611 30 20 DJED O=C(/C=C\c1cc2cc(F)ccc2o1)c1c[nH]c2ccccc12 741844627 RGMSGBGXEMYEDE-SREVYHEPSA-N 305.308 4.949 30 20 DJED O=C(/C=C\c1ccc(F)c(F)c1)c1ccc(-c2ccncc2)cc1 745989967 IHLJKXSNCJXACM-WAPJZHGLSA-N 321.326 4.923 30 20 DJED C[C@H](OC(=O)[C@@H](C)c1cccc(Cl)c1)c1ccc(C#N)cc1 748680717 VVAXLZVEEZNQPN-STQMWFEESA-N 313.784 4.620 30 20 DJED C=C(C)[C@@H](CC(=O)Nc1ccc(-c2ccccc2)cc1C)OCC 755486290 IFWHZHZPVOWVDW-HXUWFJFHSA-N 323.436 4.972 30 20 DJED CCCCCCCCC/C=C\C(=O)Nc1cnc(O)c(C)c1 757572955 WYJBGBAMEPPYEY-QXMHVHEDSA-N 304.434 4.731 30 20 DJED CC(=NNc1nccnc1C(C)C)c1cc(Cl)ccc1Cl 773085287 GXFMJGAUPWTNKH-UHFFFAOYSA-N 323.227 4.743 30 20 DJED C#CC[C@@H](N[C@@H](C)c1ccccc1OC(F)F)c1ccccc1 773105554 HVGVCWGWMKOMSS-WMLDXEAASA-N 315.363 4.703 30 20 DJED CC(=NNc1ncccc1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 788440535 IKQFLQCXBAXIAZ-NWDGAFQWSA-N 305.834 4.696 30 20 DJED Cc1cccnc1NN=C[C@H](C)c1ccc(C(F)(F)F)cc1 789050662 JBYXJKTVEDNUSF-LBPRGKRZSA-N 307.319 4.610 30 20 DJED C=CCC(C)(C)C(=O)Oc1ccc(Sc2ccncc2)cc1 796816536 JHEACPBXMCADKK-UHFFFAOYSA-N 313.422 4.741 30 20 DJED Cc1ccc(C(=O)Nc2cc(C(F)F)ccc2Cl)cc1C#N 799352033 MAFNTWZFGMBMLW-UHFFFAOYSA-N 320.726 4.710 30 20 DJED CC(C)(CCC#N)CNC(=O)C=C1CCC(C(C)(C)C)CC1 807723351 ZKUALHBVOOIAAJ-UHFFFAOYSA-N 304.478 4.595 30 20 DJED Cc1ccc(N(C(=O)c2cc(C#N)ccc2Cl)C(C)C)cc1 808336592 YGJQCUHFKURYQM-UHFFFAOYSA-N 312.800 4.575 30 20 DJED Cc1cccc(C(C)C)c1NN=C1CCCC12CCOCC2 812233313 WCRNURFROIYDHW-UHFFFAOYSA-N 300.446 4.867 30 20 DJED C[C@H](OC(=O)CCCC#N)c1cccc(OCc2ccccc2)c1 813090765 BIQIENPOAXVPQM-INIZCTEOSA-N 323.392 4.564 30 20 DJED FC(F)(F)c1ccc(CON=Cc2cccc3cc[nH]c23)cc1 814881946 BYWIWYRNQNVZTK-UHFFFAOYSA-N 318.298 4.737 30 20 DJED Cc1ccc([C@@H](C)Nc2cc(C(F)(F)F)cnc2C#N)s1 840249369 QBGLOEUNUVZMGI-SECBINFHSA-N 311.332 4.515 30 20 DJED O=C(/C=C\c1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)cc1 917518220 WKNHKUIZOJGNOT-XFSBKJJWSA-N 318.294 4.536 30 20 DJED Clc1ccc(NN=Cc2csc(C3CC3)n2)cc1Cl 920357590 URIUBOMRCSFHGE-UHFFFAOYSA-N 312.225 4.773 30 20 DJED CC(C)(C)[C@@H]1CCC[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)CC1 1128157341 QLUKVVVKXQYJHH-GUXCAODWSA-N 316.489 4.572 30 20 DJED CCN(CCC#N)Cc1c(Cl)cccc1Oc1ccccc1 1180558914 ZOFLYYJMOCPCBC-UHFFFAOYSA-N 314.816 4.868 30 20 DJED CN(C(=O)c1ccc2ccccc2c1)c1ccc(C#N)c(Cl)c1 1287625008 WMKZIGGAQGDPBE-UHFFFAOYSA-N 320.779 4.641 30 20 DJED CN(Cc1cc2ccccc2[nH]1)Cc1ccccc1C(C)(C)C#N 1319230097 INLSLZSQRJZRRK-UHFFFAOYSA-N 317.436 4.601 30 20 DJED N#CCOc1ccc(N[C@@H]2CCCc3c(Cl)cccc32)cc1 1337800964 OLDPMPCWXYRBOT-GOSISDBHSA-N 312.800 4.732 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H](C)CCC(C)(C)C 1357640618 IOQPFSUVQZQQAB-AWEZNQCLSA-N 316.445 4.746 30 20 DJED CC[C@H](CN(CC)c1ncc(C#N)cc1Cl)c1ccccc1 1458332835 TWQXEXSQJSPOER-OAHLLOKOSA-N 313.832 4.627 30 20 DJED Cc1nc(NC[C@H]2CCCCC(F)(F)C2)c(Cl)cc1C#N 1458406404 KQYAESWEGGXCHA-NSHDSACASA-N 313.779 4.543 30 20 DJED C[C@H](NCC1(CC#N)CC1)c1ccc(-c2cccc(C#N)c2)cc1 1459929910 GQFSPVIVEIBHSD-INIZCTEOSA-N 315.420 4.570 30 20 DJED Cc1cc(C#N)ccc1CN1CC[C@H](C)Sc2ccccc21 1473232578 LQLRINKNAAARLX-HNNXBMFYSA-N 308.450 4.758 30 20 DJED C=C(Cl)CNC(=O)Nc1ccc(Cl)cc1-c1ccccc1 1476422975 FCJCKFAHMIKYSA-UHFFFAOYSA-N 321.207 4.881 30 20 DJED Cc1cccc(C)c1[C@@H](C)OC(=O)[C@@H](C)Cc1ccc(C#N)cc1 1535740304 QDOXLUYHTJJACB-DLBZAZTESA-N 321.420 4.658 30 20 DJED CCC[C@](C)(CC)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1539250444 SPYXGGKBDUQMFK-HNNXBMFYSA-N 312.335 4.732 30 20 DJED C[C@H](c1ccccc1)c1ccc(Oc2ncccc2C#N)cc1 1559100380 OCGREBNAJRSVNS-OAHLLOKOSA-N 300.361 4.897 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 1584415126 JVYMQLFBNJQYLC-MCYKXBRJSA-N 324.468 4.684 30 20 DJED CCCC[C@H](CC)CCCN(C)C(=O)Cc1ccc(C#N)cc1 1587743463 PMFHHEOTNWSGMQ-KRWDZBQOSA-N 314.473 4.556 30 20 DJED Cc1cccc(C(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@H]3C)c1 1588270254 AUQLNVFSVYSNOQ-CHWSQXEVSA-N 324.449 4.866 30 20 DJED C=C(Br)CN[C@H](c1ccc(F)cc1F)C(C)(C)C 1616631089 ZEOUOEYUDQBNMC-CYBMUJFWSA-N 318.205 4.550 30 20 DJED C[C@@H]1CN(CCCC(C)(C)C#N)CCc2ccc(Cl)cc21 1646601499 IOPRMFNVRNRDCP-CQSZACIVSA-N 304.865 4.632 30 20 DJED C[C@@H](Cc1ccc2ccccc2n1)Sc1ccc(C#N)cc1F 1652674045 RZSCNFGLCWNORG-ZDUSSCGKSA-N 322.408 4.969 30 20 DJED Cc1cc(N[C@H](C)c2ccc(SC(C)C)cc2)ncc1C#N 1655117824 ZWEYZMSHCVPGEK-CQSZACIVSA-N 311.454 4.935 30 20 DJED N#Cc1ccc(C2CCN(CCc3ccc(Cl)cc3)CC2)cc1 1656289486 WQPTUCHSSFESSC-UHFFFAOYSA-N 324.855 4.634 30 20 DJED Cc1cc(C#N)ccc1CN(Cc1cccc(Cl)c1)C(C)C 1656993019 SKRWQTJBNAKLGM-UHFFFAOYSA-N 312.844 4.931 30 20 DJED CC[C@H](C)c1ccc(/C=C\C(=O)c2cc(C(=O)O)ccc2O)cc1 1776698648 PGVSXONVFIGFRD-HKBVPSITSA-N 324.376 4.500 30 20 DJED O=C(O)c1cccc(C(=O)/C=C\c2ccc(-c3ccccc3)o2)c1 1777686143 OXKQNSLELBEHDE-LUAWRHEFSA-N 318.328 4.541 30 20 DJED Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)c1ccccc1 7904318 LRZMLBXBWWLTSS-OUKQBFOZSA-N 320.367 4.524 30 20 DJED O=C(/C=C/c1ccccc1OCc1ccccn1)c1ccccc1 25197649 OEJUDSAYLRESSJ-BUHFOSPRSA-N 315.372 4.557 30 20 DJED C[C@H](NCc1ccc(C#N)cc1F)c1cccc2ccccc12 120123298 HRLWJLCWJHHPIM-AWEZNQCLSA-N 304.368 4.701 30 20 DJED CC(C)(C#N)CCCSCc1cc(-c2cccs2)on1 161182052 KBAONWQNUNKMDV-UHFFFAOYSA-N 306.456 4.966 30 20 DJED Cc1ccc(-c2noc([C@@H](C)SCCCCC#N)n2)cc1F 161437371 HPXIBOFOFLKIPD-GFCCVEGCSA-N 319.405 4.672 30 20 DJED Cc1ccc([C@@H](C)N[C@H](CCC#N)c2ccccc2)c(O)c1C 273456802 HHOVUGGBTKSCKF-VQIMIIECSA-N 308.425 4.705 30 20 DJED C=CCCSc1ncc(-c2ccccc2)n1CC(F)(F)F 303845220 UAYFCTNVQIIVCZ-UHFFFAOYSA-N 312.360 4.781 30 20 DJED CC(C)C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccccc1 319707816 NOMQLSMCIVJUIY-SFHVURJKSA-N 309.369 4.666 30 20 DJED CC#CCCCC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 373345090 DMCZYVMIYURZLN-MRXNPFEDSA-N 323.358 4.563 30 20 DJED CSc1cc(C)ccc1NC(=O)c1ccc(C(C)(C)C#N)cc1 413904279 NYMNUGHQOBZPJJ-UHFFFAOYSA-N 324.449 4.770 30 20 DJED CC(F)(F)c1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)cc1 428158162 JSQQKWXSRXDGAW-UHFFFAOYSA-N 320.726 4.576 30 20 DJED Cc1cccc2cc(C(=O)N[C@@H](CCC#N)c3ccccc3)oc12 439657897 IEWGVLOGSSAGRU-KRWDZBQOSA-N 318.376 4.516 30 20 DJED C=CCCC[C@H](C)Sc1nnc(Cc2cccc(OC)c2)o1 462402737 VROZMECJPXXPAB-ZDUSSCGKSA-N 318.442 4.506 30 20 DJED C=CCOc1ccc(O[C@@H](C)c2ncc(C(C)(C)C)o2)cc1 464866934 BRFZEOUHGNTXKB-ZDUSSCGKSA-N 301.386 4.677 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)c1sccc1SC 470642668 CCMOQAXPLHBYEX-UHFFFAOYSA-N 317.479 4.689 30 20 DJED CC(C)[C@H](N[C@H]1CC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 471621796 UIDHARHBOCLVDA-RCBQFDQVSA-N 310.363 4.684 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H]2CCC[C@@H]21 475583368 MTAYPTUBTJYUJF-YJBOKZPZSA-N 312.457 4.945 30 20 DJED C=CCCCSCC(=O)N[C@@H](c1cccs1)C(C)(C)C 476137034 GIXVPXBQLRZIRV-HNNXBMFYSA-N 311.516 4.651 30 20 DJED CCCCC[C@@H]1CCCN1C(=O)C[C@@H](CC#N)c1ccccc1 476386994 QKVQHVLNDVTNCJ-RTBURBONSA-N 312.457 4.645 30 20 DJED CCc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1C 476526805 QTWLRSJIJMLBJU-GOSISDBHSA-N 306.409 4.584 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@@H]2CC[C@@H](c3ccccc3F)C2)c1 481085446 DRZZGYHFCZNSSV-NVXWUHKLSA-N 322.383 4.648 30 20 DJED C=CC[C@@H](C(=O)Nc1ncc(C(C)C)s1)c1ccccc1 489024476 SUWAWIJCWFIFSQ-CQSZACIVSA-N 300.427 4.565 30 20 DJED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N(C)c1ccc(C#N)cc1 489902758 WOCOZJKEKUDHBO-NVXWUHKLSA-N 318.420 4.511 30 20 DJED C=CCC[C@H](C(=O)Nc1ccc(O)c(Cl)c1)c1ccccc1 490280695 AZFJHKVSRYRIPA-HNNXBMFYSA-N 315.800 4.734 30 20 DJED Cc1occc1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 490492329 PFNBWCZXAOVGDU-UHFFFAOYSA-N 318.332 4.504 30 20 DJED Cc1c(C#N)cccc1NCc1csc(-c2cccs2)n1 500767381 AFJVQXGONSLAQX-UHFFFAOYSA-N 311.435 4.664 30 20 DJED C=C(C)CCc1noc([C@H]2C[C@H]2c2c(F)cccc2Cl)n1 508683197 YHSZUXSEQSUAKR-MNOVXSKESA-N 306.768 4.642 30 20 DJED COc1ccc([C@H]2CCCN2c2cccc(Cl)c2C#N)cc1 514485119 GXSUDJGNYBQTBW-QGZVFWFLSA-N 312.800 4.562 30 20 DJED C=CCN(C(=O)Nc1ccc2c(c1)oc1ccccc12)C1CC1 537859964 SKALVLVWXCRVHX-UHFFFAOYSA-N 306.365 4.768 30 20 DJED Cc1cc(C)cc(-n2nc(NCC(C)(C)CCC#N)cc2C)c1 539617861 ACUNICRWZFAABJ-UHFFFAOYSA-N 310.445 4.539 30 20 DJED C[C@H](c1nc2ccccc2s1)N(C)Cc1ccc(CC#N)cc1 542211996 AUIJAPHIQOCQLH-CQSZACIVSA-N 321.449 4.555 30 20 DJED CCCCOc1cccc(CNc2cc(C(C)=O)ccc2C#N)c1 543449260 BIZLBYJPBWAGKG-UHFFFAOYSA-N 322.408 4.552 30 20 DJED CC(C)c1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)s1 545446222 BLSUWBIIGZGMJC-UHFFFAOYSA-N 304.802 4.649 30 20 DJED Cc1ccc(-c2ccc(C(=O)Nc3ccccc3CC#N)s2)o1 550101325 PXZIJJVHNTWUKU-UHFFFAOYSA-N 322.389 4.635 30 20 DJED CC(C)CN(C(=O)c1occc1C(C)C)c1ccc(C#N)cc1 551513551 SVHGAKRYYBHCGP-UHFFFAOYSA-N 310.397 4.577 30 20 DJED N#C[C@@H]1CC[C@H](N2CCC(c3c(Cl)cccc3Cl)CC2)C1 555527706 MSRPZBJGASFXLV-OCCSQVGLSA-N 323.267 4.865 30 20 DJED N#Cc1ccc2c(c1)[C@@H](NCc1ccc(C3CCC3)cc1)CC2 580680558 KJIFJNZMRLANIT-NRFANRHFSA-N 302.421 4.603 30 20 DJED C=CCN(Cc1cccs1)C(=O)C[C@H](C)c1ccccc1F 588355627 JEMFDSOSLLNFIN-AWEZNQCLSA-N 317.429 4.596 30 20 DJED N#CCc1cccc(NCc2cc(Cl)cc(Cl)c2F)c1 600857005 UTMPORWXBJMJFP-UHFFFAOYSA-N 309.171 4.811 30 20 DJED C[C@@H](Nc1ccc(C#N)cn1)C(c1ccccc1)c1ccccc1 603627810 VAUKFDBFJQCOGX-MRXNPFEDSA-N 313.404 4.586 30 20 DJED N#CC1(CN[C@@H]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 614995902 MBJCKYSELNFEST-SWLSCSKDSA-N 309.240 4.523 30 20 DJED C=C(C)COc1cc(CN[C@@H](C)c2ccsc2)ccc1OC 669830970 GKLIEAYMIUMUQC-AWEZNQCLSA-N 317.454 4.562 30 20 DJED Cc1ccc(C)c(NN=C(CC2CCCCC2)c2ncccn2)c1 733907249 MERZPLGAEUYMRH-UHFFFAOYSA-N 322.456 4.880 30 20 DJED CCC/C(C)=C/C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739595943 OBJIEEYUVMEPGW-GXDHUFHOSA-N 324.449 4.649 30 20 DJED CC(C)=C(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 751361408 UAOOKRBRJLJLMO-UHFFFAOYSA-N 320.392 4.954 30 20 DJED C=CC[C@@H](N[C@H](CC)c1cc(F)ccc1F)c1ccncc1 766021834 UZXDLQYTSCDXDJ-QZTJIDSGSA-N 302.368 4.718 30 20 DJED CN(C)c1ccc(C(=O)/C=C\c2ccc(C(F)F)cc2)cc1 794938187 LNZHJTMIWXGKQZ-XGICHPGQSA-N 301.336 4.586 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2ccnc(Cl)c2C)CCCC1(C)C 810285481 QDKDXQSJEXUATA-AWEZNQCLSA-N 321.852 4.642 30 20 DJED Oc1cccc(C=Nc2cccc(Oc3ccccc3)c2)c1O 920942782 QKUISGKCPUNIRB-UHFFFAOYSA-N 305.333 4.641 30 20 DJED CC1(C)CCC[C@H]1CNc1c(C#N)cnc2c(Cl)cccc12 1163364725 WVKFCWALJVVIFU-ZDUSSCGKSA-N 313.832 4.998 30 20 DJED CC[C@@H](c1ccccc1)N1CCC(c2ccc(C#N)cc2)CC1 1176578385 NDEBRHITZUHTSB-NRFANRHFSA-N 304.437 4.889 30 20 DJED N#CCOc1ccc(CSc2ccc3c(c2)CCCC3)cc1 1307358209 JZBQOURAMRBWGJ-UHFFFAOYSA-N 309.434 4.760 30 20 DJED N#Cc1c(F)cccc1N1CCCC[C@H]1c1ccc(F)cc1F 1458251072 JPIKDPOQKNGBNM-KRWDZBQOSA-N 316.326 4.707 30 20 DJED C[C@@H](CCC#N)CN1CCc2cc(-c3cccc(F)c3)ccc21 1462071722 WWWVFICCVAOBBL-HNNXBMFYSA-N 308.400 4.795 30 20 DJED CC(C)Cc1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)cc1 1525560072 RWQTXOFIHNLVCM-HNNXBMFYSA-N 307.393 4.675 30 20 DJED Cc1csc(Nc2cccc(Nc3nc(C)ccc3C#N)c2)n1 1559286239 RIWQDMDQHRYLQV-UHFFFAOYSA-N 321.409 4.514 30 20 DJED N#Cc1cccc(OCc2ccc(Cl)c(Br)c2)c1 1559351596 FJQIPNNTEFSBGZ-UHFFFAOYSA-N 322.589 4.553 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)N(CCC#N)C(C)(C)CC 1585575277 WGMYLYHWQFTLPI-KRWDZBQOSA-N 306.494 4.914 30 20 DJED Cc1cccc(-n2ccnc2SCc2ccc(C#N)cc2C)c1 1613331798 XRIUIOAZSNVAFB-UHFFFAOYSA-N 319.433 4.653 30 20 DJED Cc1cc(C#N)ccc1CNC1(Cc2ccccc2)CCCC1 1617089909 XRHHUHIMCPKSLG-UHFFFAOYSA-N 304.437 4.512 30 20 DJED CCC(CC)[C@H](CCNc1nc(C(C)(C)C)ccc1C#N)OC 1651664422 JERZIMSKWFUEAE-INIZCTEOSA-N 317.477 4.504 30 20 DJED N#Cc1cccc(CN[C@H]2CCCC[C@@H](c3ccccc3)C2)c1 1656027610 XVZZNRBHQNHGQW-RTWAWAEBSA-N 304.437 4.764 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1ccc(CC)s1 1776784313 UDIXMLBBALMBII-AWEZNQCLSA-N 311.491 4.604 30 20 DJED C[C@H](NCc1cccc(C#N)c1)c1cc(F)c(Cl)cc1Cl 11036177 JUKGUIRBSMZMAV-JTQLQIEISA-N 323.198 4.855 30 20 DJED C[C@@H](Nc1ccc(Cl)c(C#N)n1)c1nc(C(C)(C)C)cs1 67372403 LZTHKQSZBBHNDJ-SECBINFHSA-N 320.849 4.534 30 20 DJED N#CCC[C@H](NCc1ccc(F)c(Cl)c1)c1ccccc1 119273273 FZSLJHOYTOORGR-KRWDZBQOSA-N 302.780 4.614 30 20 DJED CCCCCCC[S@@](=O)Cc1coc(-c2ccccc2)n1 132920849 BFDAYYZUQKNSKF-NRFANRHFSA-N 305.443 4.561 30 20 DJED C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2cc3ccccc3o2)cc1 189090430 CAKWAUYCETUBOX-GJZGRUSLSA-N 320.392 4.574 30 20 DJED CCCCCCCC[S@@](=O)Cc1coc(-c2ccccc2)n1 190756682 HULWHLUGDMINIZ-JOCHJYFZSA-N 319.470 4.951 30 20 DJED CCCOc1cc(/C=C2/CCc3ccccc3C2=O)ccc1OC 212554678 PVDMLWDOKGDVTI-LGMDPLHJSA-N 322.404 4.697 30 20 DJED C[C@@H](Nc1ccc(C#N)c(Br)c1)C1CCCCC1 228185584 YTJHBAFWZOLPOH-LLVKDONJSA-N 307.235 4.701 30 20 DJED Cc1ccc([C@H](NCc2ccc(O[C@@H](C)C#N)cc2)C2CC2)cc1 237504257 MUHFNUIATHCJQR-KKSFZXQISA-N 320.436 4.527 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCCc2ccc(F)cc21 341799813 COTFSKSYMONWFE-RTWAWAEBSA-N 320.411 4.742 30 20 DJED C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C(c1ccccc1)c1ccccc1 447538121 ALSDETQARZROAQ-WAOWUJCRSA-N 318.464 4.879 30 20 DJED CC[C@H](NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(C#N)cc1 447585945 LCLJMEYLBWSETC-OIISXLGYSA-N 324.390 4.968 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(-c2ccncc2)c(C)c1 455504678 JPBKLIKIANSFNE-GOSISDBHSA-N 321.424 4.629 30 20 DJED C=CCCN(C)C(=O)Nc1cccc(COC2CCCCC2)c1 466574459 PMASIJAJCQFEJE-UHFFFAOYSA-N 316.445 4.576 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)c1nc2ccccc2s1 473365385 AUIIBZVBXVCTRI-UHFFFAOYSA-N 322.433 4.515 30 20 DJED CC(C)C[C@H](NCc1ccc(C#N)c(F)c1)c1cccs1 483710756 NDFMOYLIKOONMY-INIZCTEOSA-N 302.418 4.636 30 20 DJED CCS[C@H]1CC[C@@H](N(C)Cc2ccccc2C(C)(C)C#N)C1 487392897 KQWISNYPBOXIGS-SJORKVTESA-N 316.514 4.594 30 20 DJED Cc1nc(N[C@@H]2CCSc3ccc(Cl)cc32)ccc1C#N 487909041 LVCJCDLTHZVEQD-CQSZACIVSA-N 315.829 4.564 30 20 DJED CC(C)(CCC#N)CNC(=O)NC1CCC2(CCCCC2)CC1 502586399 QWUWDJAPXRRCQH-UHFFFAOYSA-N 319.493 4.509 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)NCCC(C)(C)C 505431428 UBOKOEZCQUJWDK-UHFFFAOYSA-N 314.882 4.535 30 20 DJED C=C1CCN(C(=O)C(CC)(CC)c2ccc(Cl)cc2)CC1 518693463 MIGCVYCOZYMNKI-UHFFFAOYSA-N 305.849 4.576 30 20 DJED C=CCCCCCN(C)C(=O)c1ccc(OCC(C)C)cc1 523537564 VRDNSMDKPNUNAK-UHFFFAOYSA-N 303.446 4.540 30 20 DJED C=CC[C@@H](CC)NC(=O)NC(c1cccs1)c1cccs1 545254000 OMAXWYYDJIQTTB-GFCCVEGCSA-N 320.483 4.553 30 20 DJED CC(C)(C#N)CCCSCCc1nsc2ccccc12 596381285 QEWOPQSSFWPZGW-UHFFFAOYSA-N 304.484 4.902 30 20 DJED C=CCN(C(=O)[C@@H](C)CSc1ccccc1)c1ccccc1 599492586 JSVQQJMQDSZBQQ-INIZCTEOSA-N 311.450 4.634 30 20 DJED CCN(C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)[C@H](C)c1ccc(C#N)cc1 603528736 LHTQYJDMQQCZTQ-LZQZEXGQSA-N 324.468 4.706 30 20 DJED CC(C)Oc1ccc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1 618807732 WEDYLAAWPHPEIK-YCRPNKLZSA-N 320.436 4.684 30 20 DJED C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(F)c(Cl)c1 619746875 PUMBKYCGMLJLOP-JTQLQIEISA-N 323.198 4.855 30 20 DJED C=CCCN(C)C(=O)Nc1ccc(Oc2ccccc2)cc1C 682415375 KUHQLOIVUVDVNV-UHFFFAOYSA-N 310.397 4.827 30 20 DJED COCc1cccc(/C=C2/COc3ccc(C(C)C)cc3C2=O)c1 742433409 WJJOPLFFRJVXMK-ZDLGFXPLSA-N 322.404 4.615 30 20 DJED CC/C(=C/C(=O)Nc1sccc1C#N)c1cccc(Cl)c1 745976916 OSRGXINVRWEHPZ-LUAWRHEFSA-N 316.813 4.705 30 20 DJED C=CCN(C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl)C(C)C 746966594 RXOUTXNPTVAGQV-NSHDSACASA-N 315.244 4.660 30 20 DJED COc1ccc(/C=C\C(=O)c2cc3ccc(C)cc3o2)cc1OC 754830594 SWJTVVCPFQYCBX-YVMONPNESA-N 322.360 4.655 30 20 DJED O=C1/C(=C\c2cnc(C3CCC3)s2)Cc2cc(Cl)ccc21 760266656 XRQLGXHVPCHDML-WQLSENKSSA-N 315.825 4.886 30 20 DJED COc1ccsc1/C=C\C(=O)c1ccc(-c2ccncc2)cc1 764443231 WGAIXGXTABVMPR-SREVYHEPSA-N 321.401 4.715 30 20 DJED CC(=NNc1c(Cl)cc(F)cc1Cl)c1csc(C)n1 767910429 HXEUMOFLIUBWPQ-UHFFFAOYSA-N 318.204 4.734 30 20 DJED C[C@@H]1Sc2sccc2C(=O)/C1=C\c1ccc(C#N)cc1F 772805518 IOINCIPCPPBEEF-XSHGTHSTSA-N 315.394 4.519 30 20 DJED CCOc1ccc(/C=C\C(=O)c2ccc(C#N)cc2Cl)cc1 788360893 ORVQZMYDSSIFAU-POHAHGRESA-N 311.768 4.506 30 20 DJED CC(C)(C)c1cnc(/C=C/C(=O)c2cc(F)cc(F)c2)s1 790601450 UXILOAWVYGBWPU-SNAWJCMRSA-N 307.365 4.615 30 20 DJED C=CCC(C)(C)C(=O)OCc1csc(-c2ccsc2)n1 796461862 BJOUSYHERKZVOV-UHFFFAOYSA-N 307.440 4.517 30 20 DJED C#CC[C@@H](OC(=O)c1csc2cc(C)ccc12)c1ccccn1 796687459 QCHFQOJFOIQKCV-QGZVFWFLSA-N 321.401 4.526 30 20 DJED C[C@H](OC(=O)/C=C/c1ccccc1C#N)c1ccc(Cl)cc1 799635949 DBNZTIHPLYCFEM-YKWSONSWSA-N 311.768 4.529 30 20 DJED O=C(/C=C/c1csc2ccccc12)c1ccc2c(c1)OCCO2 810198260 MNXBUEAAMYJGGK-FNORWQNLSA-N 322.385 4.569 30 20 DJED N#C[C@@H](C(=O)C1(Cc2cccs2)CCCCC1)c1ccccn1 810528841 XSTQOERDVYYWIQ-MRXNPFEDSA-N 324.449 4.513 30 20 DJED N#CC1(CCCCOC(=O)c2c(F)cccc2Cl)CCC1 908704160 WLXJFQNTBCKGJG-UHFFFAOYSA-N 309.768 4.500 30 20 DJED Cc1nn(C)c(C)c1C(=O)/C=C\c1cc(-c2ccccc2)cs1 920832028 BKTUGXGKPGBVNR-KTKRTIGZSA-N 322.433 4.662 30 20 DJED CCCC[C@H](CCC)CNC(=O)c1ccc(C#N)c(Cl)c1 1127050914 ZHRVCHBLCVTPRK-ZDUSSCGKSA-N 306.837 4.548 30 20 DJED N#Cc1cccc(C(=O)N[C@H](CC2CCCC2)c2ccccc2)c1 1127323605 RHKSTROTFIDPNG-HXUWFJFHSA-N 318.420 4.610 30 20 DJED CC(C)(C)c1csc(NC(=O)[C@H]2CCCC2(C)C)c1C#N 1129478150 QKNPHCKRVLOXSH-GFCCVEGCSA-N 304.459 4.682 30 20 DJED Cc1cc(C#N)cc(NC(=O)C[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 1129685842 RKHLUIIWUHHXJJ-GXTWGEPZSA-N 324.346 4.564 30 20 DJED Cc1cc(Nc2ccc(Oc3cccc(C#N)c3)cc2)nc(C)n1 1162476441 POPLKPXFTLHRAL-UHFFFAOYSA-N 316.364 4.501 30 20 DJED CC(C)(C)c1ccc([C@@H]2CCCN2Cc2cc(C#N)ccn2)cc1 1167056202 WQCMISQSPIIJGI-FQEVSTJZSA-N 319.452 4.588 30 20 DJED CC1(C)C[C@H](c2ccccc2)N(Cc2cccc(C#N)c2F)C1 1171408121 POHAWZBUUOHSTD-GOSISDBHSA-N 308.400 4.671 30 20 DJED Cc1ccccc1[C@@H](C)Sc1nc2c(cc1C#N)CCCC2 1188565799 SCLUYBDMFKVUIC-CQSZACIVSA-N 308.450 4.994 30 20 DJED CCc1ccc(NC(=O)[C@H](C)Sc2ccc(C#N)c(C)c2)cc1 1189582875 LIDBUGARXTUCAV-AWEZNQCLSA-N 324.449 4.548 30 20 DJED CCC(CC)CN(CCC#N)Cc1cc(OC)ccc1Cl 1191367590 QPZSTHQBWVECSQ-UHFFFAOYSA-N 308.853 4.500 30 20 DJED COc1cc(C#N)ccc1CSc1ncc(-c2ccccc2)o1 1319744702 DUCAFAORTQXYLE-UHFFFAOYSA-N 322.389 4.514 30 20 DJED CC(C)(C#N)CCCCSCc1nccn1-c1ccccc1 1320806493 KODSHKFWAMDHCM-UHFFFAOYSA-N 313.470 4.826 30 20 DJED CCCCCCCCC(=O)N1CCc2ccc(OCC)cc2C1 1322126645 CEDSWPKTFOLNOT-UHFFFAOYSA-N 317.473 4.721 30 20 DJED CC[C@H](C#N)[C@@H](OC(=O)CCCC(F)(F)F)c1cccs1 1343907215 UYBJIWUADWULFG-ZWNOBZJWSA-N 319.348 4.615 30 20 DJED N#Cc1nc(NC[C@H]2CCC[C@@H]2c2ccccc2)sc1Cl 1458408279 ULQPKLWUJGSIGS-CHWSQXEVSA-N 317.845 4.664 30 20 DJED CCCC[C@H](C)N(CCCC)C(=O)Nc1ccc(C#N)cc1 1464908492 BHCSBDPBMTVFBX-HNNXBMFYSA-N 301.434 4.771 30 20 DJED COc1cc(CN2CCC[C@H]2c2cc(C)ccc2C)ccc1C#N 1474344904 WVSPEGSDBIGYMZ-FQEVSTJZSA-N 320.436 4.521 30 20 DJED CC1(C)CCCN(Cc2ccc(C#N)cc2F)c2ccccc21 1474555498 XCLNMVKRBIKDRH-UHFFFAOYSA-N 308.400 4.775 30 20 DJED CCC[C@@H](C(=O)O[C@@H](C)c1cccc(C#N)c1)c1ccccc1 1518184725 SUZQFQGCOIGBMF-HNAYVOBHSA-N 307.393 4.746 30 20 DJED CC(C)(C)c1csc(NC(=O)c2csc(Cl)c2)c1C#N 1524039651 IYICWFOWRJAOJW-UHFFFAOYSA-N 324.858 4.884 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)C1[C@H]2CCCCCC[C@H]12 1528322241 KDCRPTWPOFQOJQ-ROUUACIJSA-N 318.420 4.866 30 20 DJED CCOc1cccc([C@H](C)NCCC2(C#N)CCCCC2)c1 1559692920 UPUZVJYRSUCUOC-INIZCTEOSA-N 300.446 4.600 30 20 DJED COc1cc(CN2C[C@@H](C)CC[C@@H]2c2ccccc2)ccc1C#N 1621326184 IMKINFYVTAFBEJ-OXJNMPFZSA-N 320.436 4.540 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1ccc(CC(C)C)cc1 1632936336 NPZDWCXPRKRGBB-UHFFFAOYSA-N 314.473 4.677 30 20 DJED N#Cc1cc(Cl)ccc1SCc1csc(Cl)n1 1640957535 YLNRAUBHBCTCNF-UHFFFAOYSA-N 301.223 4.614 30 20 DJED Cc1nc2ccccc2nc1SCCC1(C#N)CCCCC1 1651754783 UKSZDIWBQHSVNN-UHFFFAOYSA-N 311.454 4.895 30 20 DJED CCCN(CCc1cccc(F)c1)[C@H](C)c1cccc(C#N)c1 1657294093 VGTNXWPOIAYVGH-MRXNPFEDSA-N 310.416 4.713 30 20 DJED O=C(/C=C/c1ccsc1)c1ccc(-c2ccc(C(=O)O)o2)cc1 26763084 KBMCHJOTHUSZNZ-LZCJLJQNSA-N 324.357 4.602 30 20 DJED CCCc1nc(CN(CC)[C@H](C)c2ccc(C#N)cc2)cs1 54340407 NVKGTIBKRNGEFP-CQSZACIVSA-N 313.470 4.550 30 20 DJED C=C[C@H](CC(=O)N(C)c1cc(Cl)ccc1C#N)c1ccccc1 90000532 JVEWITWDTKJHJG-CQSZACIVSA-N 324.811 4.534 30 20 DJED C[C@@H]1CCN(CCCCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 135395491 CENSYJJSNSWARZ-CJNGLKHVSA-N 310.363 4.782 30 20 DJED N#Cc1csc(/C=C/C(=O)c2ccc(SC(F)F)cc2)c1 176844605 KWFVWNWWLPYBSJ-AATRIKPKSA-N 321.373 4.831 30 20 DJED C=CCCCC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 179029088 RBXJEZDLVQYUAC-UHFFFAOYSA-N 323.889 4.779 30 20 DJED CC[C@H](NCc1ccccc1C(C)(C)C#N)c1ccc(OC)cc1 181834994 OLBMQSMJCIWQNL-FQEVSTJZSA-N 322.452 4.737 30 20 DJED CCCCCCCCC(=O)N1CCC(c2ccncc2)CC1 192277238 OVNZHIYDTBKQGX-UHFFFAOYSA-N 302.462 4.538 30 20 DJED N#Cc1ccccc1C(=O)/C=C/c1csc(-c2ccsc2)n1 194585875 DMQJTNRYSARYNK-AATRIKPKSA-N 322.414 4.639 30 20 DJED COc1cc(/C=C\C(=O)c2ccc(C)cc2)ccc1OC(F)F 210506018 UHKMORMUERKZKQ-UITAMQMPSA-N 318.319 4.501 30 20 DJED COc1ccc(/C=C\C(=O)c2cc(Cl)ccc2Cl)cc1 212576966 LANMHTOKTLATGF-WTKPLQERSA-N 307.176 4.898 30 20 DJED Cc1nn(C)c(C)c1C(=O)/C=C\c1ccc(-c2ccccc2)s1 214095095 SZBDXDDNICTUQS-LUAWRHEFSA-N 322.433 4.662 30 20 DJED C[C@H](N[C@@H]1CCSc2ccccc21)c1ccc(C#N)c(F)c1 271938499 NXTFMLIYHIORED-YVEFUNNKSA-N 312.413 4.585 30 20 DJED Cc1cccc([C@H](C)SCCCC2(C#N)CCOCC2)c1 281855141 MNIJBQRUXAVYMI-INIZCTEOSA-N 303.471 4.890 30 20 DJED C=CCC1(C(=O)Nc2cc(C(C)=O)ccc2Cl)CCCC1 410569444 AWFCITNQKABLQP-UHFFFAOYSA-N 305.805 4.618 30 20 DJED C=CCC[C@H](NC(=O)N1CCC[C@H]2CCC[C@H]21)c1ccccc1 435096569 XHPFVIRMOXDRCA-CEXWTWQISA-N 312.457 4.668 30 20 DJED CC(C)(C#N)CCCCSCc1ccn(-c2ccccc2)n1 435892969 NHYGPPPZDRMTET-UHFFFAOYSA-N 313.470 4.826 30 20 DJED C=CCC1(C(=O)Nc2ccc(NC(=O)CC)cc2)CCCCC1 448718751 ANOJMPMSNSBWMJ-UHFFFAOYSA-N 314.429 4.500 30 20 DJED N#Cc1cnc(N2CCCC3(CCCCCC3)C2)c(Cl)c1 462951057 ZAJJIKBQKKXEBZ-UHFFFAOYSA-N 303.837 4.547 30 20 DJED N#Cc1cc(N2CCC[C@@H]2c2ccsc2)ccc1C(F)(F)F 463439393 KFGFENHKAPQSOP-OAHLLOKOSA-N 322.355 4.980 30 20 DJED N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H]1c1cccs1 467718364 OLIHGKPNDPYYNO-CQSZACIVSA-N 322.355 4.980 30 20 DJED C=C[C@](C)(CC)C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C 468006762 UQBJAPHFQQHBRK-BFUOFWGJSA-N 315.413 4.529 30 20 DJED C=CC[C@H](C(=O)Nc1ccc(Cl)c(OC)c1)c1ccccc1 469106410 XGKVJUGDGIGTNN-HNNXBMFYSA-N 315.800 4.647 30 20 DJED CC(C)CN(C(=O)C[C@H](C)c1ccccc1)c1ccc(C#N)cc1 499321183 XWJSYEABSGJYCB-KRWDZBQOSA-N 320.436 4.741 30 20 DJED C=C(C)CN(CC)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 503348655 UFRNVGCTHPDQIH-KRWDZBQOSA-N 320.452 4.911 30 20 DJED CSc1ccc(Cl)cc1NCc1ccc(C#N)cc1F 518843476 XBRXWLIHKLGKQG-UHFFFAOYSA-N 306.793 4.685 30 20 DJED C=CCCO[C@H](C)C(=O)Nc1ccc2oc3ccccc3c2c1 519071577 QBYIBNNNNJVVCJ-CYBMUJFWSA-N 309.365 4.506 30 20 DJED CC(C)c1cc(Sc2ccc(C#N)c(C(F)(F)F)c2)ncn1 542968510 MVAMBOQINYQZOD-UHFFFAOYSA-N 323.343 4.642 30 20 DJED C[C@H](Cc1ccsc1)N[C@H](C)c1ccc(C#N)cc1Cl 570235637 LIOBDEUFTHICLX-VXGBXAGGSA-N 304.846 4.555 30 20 DJED Cc1ccccc1-c1csc(NC(=O)CCCCCC#N)n1 588283350 LUOADUUOQFFOMG-UHFFFAOYSA-N 313.426 4.531 30 20 DJED N#Cc1ccc(/C=C\c2ccc(-c3cccs3)cc2F)nc1 603942121 OFBZWFHPKPGGKI-VURMDHGXSA-N 306.365 4.991 30 20 DJED N#Cc1ccccc1CNc1ccccc1COc1ccccc1 604011489 DMYZVHGKRORUEK-UHFFFAOYSA-N 314.388 4.749 30 20 DJED C[C@@H](NC(=O)Nc1ccc(C(C)(C)C)cc1)c1cccc(C#N)c1 610317149 TZKXUYIQAUSXOF-CQSZACIVSA-N 321.424 4.738 30 20 DJED C[C@H](NCc1cccc(OC2CCCC2)c1)c1cccc(C#N)c1 610345232 YTECYPKRERODBS-INIZCTEOSA-N 320.436 4.730 30 20 DJED CSc1ccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1F 610829968 UOPUBLRSQDAVGQ-QWHCGFSZSA-N 314.429 4.831 30 20 DJED CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1ccncc1 725274201 OGMOKAVOORRFRO-UHFFFAOYSA-N 314.603 4.878 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2cc3cccc(C)c3o2)cc1 726940585 YQARGZXSJZXYIJ-UHFFFAOYSA-N 318.376 4.610 30 20 DJED Cc1[nH]c2ccccc2c1C(=O)/C=C\c1ccc(N(C)C)c(F)c1 727653854 ATMSFVCWOXNVNJ-LUAWRHEFSA-N 322.383 4.578 30 20 DJED CC(C)Sc1ccc(C(=O)/C=C\c2ccc(C#N)cc2)cc1 728442145 XICRCRVMUUCJGP-GHXNOFRVSA-N 307.418 4.955 30 20 DJED CCCCCCCCC(=O)N[C@H](c1ncc(C)s1)C1CC1 741968347 MGEYFYQWIRLTKB-INIZCTEOSA-N 308.491 4.769 30 20 DJED CSc1ccc(/C=C2\Cc3cc(Cl)ccc3C2=O)cc1 742437711 PWNCUKDZBFZLKA-MDWZMJQESA-N 300.810 4.884 30 20 DJED C[C@H](C/N=C\c1c(O)ccc2ccccc12)Oc1ccccc1F 743043180 SXKBQFBWNKTRRR-BXSODOALSA-N 323.367 4.571 30 20 DJED O=C(/C=C\c1ccc(-n2cccn2)cc1)c1coc2ccccc12 747705044 JNOVQAPLIVAFNE-FLIBITNWSA-N 314.344 4.515 30 20 DJED C=C[C@H](CC(=O)OCc1ccc2ncccc2c1)c1ccccc1 759313034 FFLJFMRTSPUEMB-QGZVFWFLSA-N 317.388 4.638 30 20 DJED CCCCCCCS(=O)(=O)[C@@H](C)c1cccc(Cl)c1 764742172 HWEPECQHQPCWNF-ZDUSSCGKSA-N 302.867 4.786 30 20 DJED Cc1cnc(CSc2nc(-c3ccccc3)ccc2C#N)s1 771550447 JYZPQJMVXKQBQO-UHFFFAOYSA-N 323.446 4.678 30 20 DJED C=CCSc1ccccc1C(=O)N(C)c1ccc(C)cc1C 776786970 GJIUSLABMBLEIZ-UHFFFAOYSA-N 311.450 4.858 30 20 DJED O=C(/C=C\c1ccc(F)nc1)c1ccc(Oc2ccccc2)cc1 777464245 RXYZRMZHJLNOLB-SDQBBNPISA-N 319.335 4.909 30 20 DJED C=CCC[C@H](C(=O)OCc1sc(C)nc1C)c1ccccc1 777631570 JHDDHEIAKNYWOC-INIZCTEOSA-N 315.438 4.553 30 20 DJED Cc1cc(N[C@H](C)c2ccc(C#N)c(F)c2)ccc1OC(C)C 777702648 LNZZXFCEOCIEFT-CQSZACIVSA-N 312.388 4.966 30 20 DJED CCCCCCCCC(=O)N1CC[C@@H](COc2ccccc2)C1 780223444 NGCJIECZGVHJKI-GOSISDBHSA-N 317.473 4.665 30 20 DJED Clc1ccc([C@H]2CCCC2=NNc2ncncc2Cl)cc1 780283046 PDSJUXZPBRHHQE-GFCCVEGCSA-N 321.211 4.519 30 20 DJED COc1ccc(O)c(C=Nc2ccc(-c3ccncc3)c(C)c2)c1 793657132 VQWLBQMASGZFOT-UHFFFAOYSA-N 318.376 4.522 30 20 DJED C=CCOc1ccc(CN[C@@H](CC)c2ccc(C)cc2O)cc1 797006362 IUBPPOLQBZLBEC-IBGZPJMESA-N 311.425 4.506 30 20 DJED CC[C@@H](C=NNc1nc(C(F)(F)F)cs1)c1ccccc1 814867997 SIIQMBXGZFTEFE-JTQLQIEISA-N 313.348 4.753 30 20 DJED CC(C)c1cccc([C@@H](C)NCc2ccc(OCC#N)cc2)c1 858377067 UVWQVHVWNQRISV-MRXNPFEDSA-N 308.425 4.563 30 20 DJED C[C@@H](Nc1ccc(OC(C)(C)C)c(C#N)c1)c1cccc(C#N)c1 864017893 ISRPCVBQKHMADA-CQSZACIVSA-N 319.408 4.780 30 20 DJED Cc1cc(C(=O)OCCCCC#N)c(C)n1[C@@H](C)c1ccccc1 914663347 NBAUTUJKEDPPQN-INIZCTEOSA-N 324.424 4.565 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc(N3CCCCC3)cc2)s1 917044061 PIQISABDIQDKBY-FLIBITNWSA-N 311.450 4.943 30 20 DJED N#Cc1ccsc1NC(=O)c1cc2cccc(Cl)c2s1 1124184657 HZKDNNIDFMOABR-UHFFFAOYSA-N 318.810 4.740 30 20 DJED C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)CC1(C#N)CCCCC1 1126089728 FLFBMXROCFQRBQ-ZHALLVOQSA-N 324.468 4.644 30 20 DJED C[C@H]1CCCc2ccccc2[C@H]1NCc1ccc(C#N)c(F)c1 1180623127 MZXMHZFGATWJSX-XOBRGWDASA-N 308.400 4.501 30 20 DJED N#C[C@@H]1CC[C@H](Sc2nc3ccccc3n2-c2ccccc2)C1 1307250077 UPLSMWUICOMSNM-ZBFHGGJFSA-N 319.433 4.810 30 20 DJED CC(C)Sc1ccc(-c2nnc(-c3cccc(C#N)c3)o2)cc1 1322997069 PROOCPKWLPFTRH-UHFFFAOYSA-N 321.405 4.776 30 20 DJED CCCc1ccc(CCCC(=O)Nc2cccc(C#N)c2C)cc1 1435497975 UVXMPHVKOAGEPH-UHFFFAOYSA-N 320.436 4.781 30 20 DJED Cc1csc(NC(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)c1C#N 1466472445 LRRVWBHLENIVQF-KGLIPLIRSA-N 319.474 4.655 30 20 DJED Cc1cc(Nc2ccc(NC3CCCCC3)cc2)ncc1C#N 1472650336 TWGKYGAGJNUNDR-UHFFFAOYSA-N 306.413 4.750 30 20 DJED CSc1ccccc1[C@@H](C)Nc1nc(C)c(C#N)cc1Cl 1472765893 KFPBNUUHHBJISQ-LLVKDONJSA-N 317.845 4.810 30 20 DJED N#CC1(CC(=O)N[C@H](C2CCCCC2)C2CCC2)CCCCC1 1526531918 BNFLYTHAQKBOHH-LJQANCHMSA-N 316.489 4.716 30 20 DJED CC1(CNC(=O)c2ccc(C(C)(C)C#N)cc2)CCCCCC1 1535077268 SMFXUZODFDTZJS-UHFFFAOYSA-N 312.457 4.578 30 20 DJED N#Cc1cc(C(=O)N2CCC[C@H]2CCC2CCCCC2)cs1 1535226623 SPIIGTUZPHPEER-INIZCTEOSA-N 316.470 4.585 30 20 DJED Cc1ccc(C(=O)N2c3ccccc3[C@H](C)CC2(C)C)cc1C#N 1535385509 POAFMYSONZWIMR-OAHLLOKOSA-N 318.420 4.799 30 20 DJED CC(C)(C)c1cc(NC(=O)[C@H]2CC3CCC2CC3)c(C#N)s1 1535487542 AGIJFMVWSIBHGL-BPCQOVAHSA-N 316.470 4.682 30 20 DJED CC[C@H](C)c1ccc([C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)C)cc1 1540702503 PORKLTFYGIVHOP-LIRRHRJNSA-N 323.440 4.527 30 20 DJED CCCc1ccc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)cc1 1618605493 VYTDQIDPJNWYSO-UHFFFAOYSA-N 318.420 4.710 30 20 DJED CCN(C[C@@H](C)c1ccc(F)cc1)[C@H](C)c1ccc(C#N)cc1 1621174056 MGBJHYKILGHWJN-HZPDHXFCSA-N 310.416 4.884 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCCc2cccc(F)c21 1644910831 VLAHITRQIZJTAH-UHFFFAOYSA-N 308.400 4.580 30 20 DJED CC[C@@H](CN(Cc1ccc(C#N)cc1)C1CC1)c1ccccc1 1652011799 HVYCTGGKWOHOJD-IBGZPJMESA-N 304.437 4.716 30 20 DJED CCc1ccc([C@H]2C[C@H](C)CCN2CCCC(C)(C)C#N)o1 1652591434 FIQXBYVANYZTGA-NVXWUHKLSA-N 302.462 4.945 30 20 DJED CCn1c(SCc2ccc(C#N)cc2C)nc2ccccc21 1655965017 FGFKXVRILXZEKB-UHFFFAOYSA-N 307.422 4.529 30 20 DJED CCCC[C@@H](C)Nc1cnn(-c2cccc(C#N)c2)c1CCC 1659506772 XESKZZWQSSWHIY-OAHLLOKOSA-N 310.445 4.687 30 20 DJED CC(C)c1ccc2c(c1)CCCN2Cc1cccc(F)c1C#N 1664221790 FHAOXVIODJOFJY-UHFFFAOYSA-N 308.400 4.774 30 20 DJED Oc1ccccc1/C=N/[C@H]1CCSc2ccc(Cl)cc21 11119030 UQAGEIRVMRUONI-XKYMITNMSA-N 303.814 4.702 30 20 DJED C=CCn1c(SCC2CCCCC2)nnc1-c1ccoc1C 60384059 LGEUFMACIKWLRM-UHFFFAOYSA-N 317.458 4.705 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1ccc(SC(C)C)cc1 63962370 GEPGESAGEIJYSZ-UHFFFAOYSA-N 310.422 4.620 30 20 DJED COc1cc(/C=C/C(=O)c2cccc(C)c2)ccc1OC(F)F 71793427 GPYQFTQJERWSOS-SOFGYWHQSA-N 318.319 4.501 30 20 DJED C=CCCC(=O)Nc1ccc(OCc2cccc(C)c2)cc1C 78528568 ULZBGPVOGIHQRQ-UHFFFAOYSA-N 309.409 4.787 30 20 DJED N#CCCCCN[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F 153568020 QLOWCMGRKIDIPX-GOEBONIOSA-N 310.363 4.625 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)c2ccc(Cl)c(F)c2)n1 162462953 JTNSNUNKZDCEBY-SNVBAGLBSA-N 322.792 4.549 30 20 DJED C=CCN(CCC#N)C(=O)Nc1c(CCC)cccc1C(C)C 297888914 RNMKWNVGMRGDPW-UHFFFAOYSA-N 313.445 4.696 30 20 DJED C[C@@H](Nc1nc(-c2ccccc2)cs1)c1cccc(C#N)c1 301584717 AUFQOQDPBJNXTO-CYBMUJFWSA-N 305.406 4.855 30 20 DJED CCCCCCCC(=O)N[C@@H]1CCSc2c(F)cccc21 302926361 BSYJKDFDHBHKFC-OAHLLOKOSA-N 309.450 4.839 30 20 DJED Cc1cccc(C2(/N=C(/O)c3oc(C4CC4)nc3C)CCCC2)c1 329798582 XODLNFFVUKLQAR-UHFFFAOYSA-N 324.424 4.943 30 20 DJED C[C@@H]1CC[C@H](NC2(c3cccc(C#N)c3)CC2)c2ccccc21 342801778 YKGOMRMFBMHXJE-QRWLVFNGSA-N 302.421 4.776 30 20 DJED N#Cc1csc(CS[C@@H]2CCc3ccc(Cl)cc32)n1 419467316 XSEMLKWEYGTHLO-CYBMUJFWSA-N 306.843 4.589 30 20 DJED CCCc1nc(CS[C@@H](C)c2cccc(C#N)c2)cs1 443162092 OHIOMXGYAWMJAO-LBPRGKRZSA-N 302.468 4.962 30 20 DJED CC1(C#N)CCC(Nc2ccccc2N2CCCCCC2)CC1 449043040 VWTPVPGRTAACBA-UHFFFAOYSA-N 311.473 4.951 30 20 DJED CCCc1nc(CSCc2cc(F)ccc2C#N)cs1 469194473 WRUBJXBEWGRTSM-UHFFFAOYSA-N 306.431 4.540 30 20 DJED C[C@H](N[C@@H](C)c1cc2cccc(F)c2o1)c1cccc(C#N)c1 474107984 SQFXREIWHDIRGV-STQMWFEESA-N 308.356 4.855 30 20 DJED CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1SCCC#N 475776269 SCALIZCLVNWDDU-GJZGRUSLSA-N 316.470 4.847 30 20 DJED C=CCN(Cc1ccccc1)C(=O)[C@H](C)c1cc2ccccc2o1 482095191 BPPFAHWSJOKVPM-MRXNPFEDSA-N 319.404 4.751 30 20 DJED CC(=O)c1ccc(C#N)c(NCc2ccc(C3CCC3)cc2)c1 491591326 JVJDAQUMNTWMFK-UHFFFAOYSA-N 304.393 4.640 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1CCC[C@H](C)C1 498445592 LINMPCWETRCCKF-LPHOPBHVSA-N 312.457 4.513 30 20 DJED CCC[C@@H](C)CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 505307637 HPJHYFSQBJNNPI-MFKMUULPSA-N 313.228 4.501 30 20 DJED C=CCOc1ccc(CN[C@@H](c2ccccc2)C2CCC2)cc1 518275941 YIAFZKVRYDVGIZ-NRFANRHFSA-N 307.437 4.882 30 20 DJED Cc1nsc(N2Cc3ccccc3-c3ccccc3C2)c1C#N 518809234 KOLNYNMDSPTFII-UHFFFAOYSA-N 317.417 4.510 30 20 DJED CCCC[C@H]1CCC[C@H]1NCc1cccc(OCCCC#N)c1 520963380 FWMLEHFRJZWRMC-AZUAARDMSA-N 314.473 4.818 30 20 DJED CC(C)c1ccc([C@H]2CCCN2C(=O)c2ccc(C#N)cc2)cc1 534781382 JYBPFTNSEVXGCX-HXUWFJFHSA-N 318.420 4.659 30 20 DJED CCCCN(CC)C(=O)c1ccccc1Oc1ccccc1C#N 537577251 IOZDHKHJBNBOQY-UHFFFAOYSA-N 322.408 4.613 30 20 DJED C=CCOc1ccc(CN[C@H](C)c2ccccc2OCC)cc1 552090480 LHGITTRSUASPCK-MRXNPFEDSA-N 311.425 4.501 30 20 DJED C[C@H]1[C@@H](C)SCCN1Cc1ccc(-c2ccccc2C#N)cc1 558246642 APIILVYAGQHKMM-JKSUJKDBSA-N 322.477 4.551 30 20 DJED CC(C)(C#N)CCSCCOc1ccc(C(F)(F)F)cc1 565068635 RBFDTERQGLHPGD-UHFFFAOYSA-N 317.376 4.757 30 20 DJED N#CCCCCN[C@H](c1ccccc1F)[C@H]1C[C@H]2CC[C@H]1C2 568302498 CRSUKGJPEIEFCT-RIVXBTQJSA-N 300.421 4.586 30 20 DJED N#CCC[C@@H](C#N)CN[C@@H](CC1CCCCC1)c1ccccc1 580769451 QMZADNFLPXWFBD-ICSRJNTNSA-N 309.457 4.731 30 20 DJED C=C(C)COc1cccc(NC2CCC3(CCCO3)CC2)c1 580808460 IRBAYJRKVIXULC-UHFFFAOYSA-N 301.430 4.545 30 20 DJED C=CCOc1ccc(-c2nc3cnccc3s2)cc1Cl 589638250 WNDLWMWWIDFWRL-UHFFFAOYSA-N 302.786 4.577 30 20 DJED CC[C@H](CC#N)NCc1cnc(-c2ccc(C(C)C)cc2)s1 594011839 YLTKWASZFMZGGP-MRXNPFEDSA-N 313.470 4.715 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC(=O)C[C@@H](C)CC(C)(C)C 604342723 QMFAIGYCBWRVLT-CQSZACIVSA-N 316.445 4.746 30 20 DJED N#Cc1cccc(CNc2ccc(F)cc2OC2CCCC2)c1 610897120 CVSRHGSKNMZKIB-UHFFFAOYSA-N 310.372 4.631 30 20 DJED Cc1ccc(C(=O)/C=C/c2cccc(OC(F)(F)F)c2)s1 727974186 HJEZKWIETILDQG-VOTSOKGWSA-N 312.312 4.851 30 20 DJED CCc1c(C)sc(NC(=O)c2cc3occc3s2)c1C#N 736012467 JEXCTWMLDDSLGF-UHFFFAOYSA-N 316.407 4.551 30 20 DJED Fc1ccc(NN=C2CCC[C@@H]2c2ccc(Cl)cc2)nc1 741464028 KSKPONYOTYVEDU-CQSZACIVSA-N 303.768 4.610 30 20 DJED CC(C)=CCSc1ccccc1C(=O)OCC1(CC#N)CC1 744279388 MGGUTVTUHOSYFX-UHFFFAOYSA-N 315.438 4.596 30 20 DJED CCCCCCCCNC(=O)N1CCC[C@@H]1c1cccc(C)n1 754861704 GLJODGMADRJLMC-GOSISDBHSA-N 317.477 4.597 30 20 DJED CCCCCCCCCN(C)C(=O)N[C@H]1CCC(F)(F)C1 763706867 LFHMVSURJJRQQF-AWEZNQCLSA-N 304.425 4.566 30 20 DJED C#CCCCCCC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 777211455 ZVMMZUOGBIQHFJ-HBMCJLEFSA-N 323.480 4.755 30 20 DJED CC(C)(C)Oc1c(F)cc(NCc2ccccc2C#N)cc1F 782221436 PAGTZTJGIXFGIL-UHFFFAOYSA-N 316.351 4.626 30 20 DJED Cc1c(C(=O)/C=C\c2cc(Cl)cs2)cccc1[N+](=O)[O-] 782342661 RCCFULLVJCDKBD-WAYWQWQTSA-N 307.758 4.514 30 20 DJED CC(=NNc1cccc2cnccc12)c1csc(Cl)c1 787154087 DZIVTZDRZDTTML-UHFFFAOYSA-N 301.802 4.786 30 20 DJED CCCCCCCCS(=O)(=O)Cc1cccc(C(F)F)c1 794896664 HZPAOHUCWBYYBD-UHFFFAOYSA-N 318.429 4.900 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H](F)CC2CCCCC2)n1 796741976 AZNDUPMXNHJSHA-KBPBESRZSA-N 322.449 4.751 30 20 DJED CC[C@@](C)(C#N)C(=O)O[C@H](C)c1ccc(Cl)c(Cl)c1 796889486 KDCFTWGCTZSJGX-OTYXRUKQSA-N 300.185 4.537 30 20 DJED CCSCSc1nc2c(c(-c3ccco3)c1C#N)CCC2 814729124 BKTZHKKOLVUQBR-UHFFFAOYSA-N 316.451 4.505 30 20 DJED CC(C)=CCC[C@H](C)CC(=O)[C@@H](C#N)c1cnc2ccccc2n1 842775772 QBIRTHPLZDQWCC-HOTGVXAUSA-N 321.424 4.579 30 20 DJED CC[C@H](NCc1ccc(O[C@H](C)C#N)cc1)c1cc(C)ccc1C 858296071 NVNGNNPDMAKMME-UTKZUKDTSA-N 322.452 4.835 30 20 DJED CCCCc1oc2ccccc2c1C=NNc1cc(C)nc(C)n1 915967763 OFODMIQKFAJAKC-UHFFFAOYSA-N 322.412 4.628 30 20 DJED CCc1c(C(=O)/C=C/c2c(C)n[nH]c2C)oc2ccc(C)cc12 915985206 KAFKCVKQEPWQJF-BQYQJAHWSA-N 308.381 4.540 30 20 DJED CCn1nc(C)c(C(=O)/C=C\c2ccc(Cl)cc2Cl)c1C 920927695 KCKYAFALPQDPKP-VURMDHGXSA-N 323.223 4.723 30 20 DJED N#CCC1(CSCc2ccc(OCc3ccccn3)cc2)CC1 1118536363 IYJXZYSZMFWAPF-UHFFFAOYSA-N 324.449 4.588 30 20 DJED CCC(CC)(CC)CNC(=O)Nc1ccc(C#N)cc1Cl 1201927876 RTSJILQZXJDICV-UHFFFAOYSA-N 307.825 4.550 30 20 DJED CC[C@@H](C)c1ccc([C@@H](Nc2nc(C)cc(C#N)n2)C(C)C)cc1 1306917277 CRBDUMXPGMPVPZ-KUHUBIRLSA-N 322.456 4.979 30 20 DJED CCCN(CCC1(C#N)CCCCC1)Cc1ccc(C#N)cc1 1307414043 GDCWSKLTRCHTIZ-UHFFFAOYSA-N 309.457 4.634 30 20 DJED N#C[C@@H]1CC[C@H](OC(=O)c2sc3cc(F)ccc3c2Cl)C1 1342575306 ODKPJQXQRJORGR-SCZZXKLOSA-N 323.776 4.543 30 20 DJED CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1360912653 YAIWXOSCAKZZID-WCQYABFASA-N 324.346 4.588 30 20 DJED CC(C)(C)[C@H]1CCCC[C@H]1CNCc1ccc(C#N)cc1F 1461131318 OKAIIVJKAKCLGK-RDJZCZTQSA-N 302.437 4.639 30 20 DJED CCOc1ccc(C#N)cc1N[C@H](C)c1nccc2ccccc12 1462068948 DCPNBHGQIXNYJT-CQSZACIVSA-N 317.392 4.678 30 20 DJED C[C@H]1CCC[C@H](Nc2c(Br)cccc2C#N)CC1 1472759982 SLCUJPASWPXDFE-AAEUAGOBSA-N 307.235 4.701 30 20 DJED CCN(C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc(C#N)cc1 1523019518 LSODYLXGKDPABH-KZNAEPCWSA-N 310.441 4.518 30 20 DJED CC[C@H](C#N)N(CC)C(=O)CC1CCC(c2ccccc2)CC1 1536522575 YAEZISCQRHFTDI-NKELODKYSA-N 312.457 4.501 30 20 DJED CCC(CC)CN(CCC#N)CCOc1cccc2ccccc12 1559578716 QIHTYDOWFMTUJC-UHFFFAOYSA-N 324.468 4.870 30 20 DJED Cc1ccc(C[C@@H](C)N(C)c2nc(C(C)(C)C)ccc2C#N)cc1 1612006913 IKGMLTMSJVRPNE-MRXNPFEDSA-N 321.468 4.627 30 20 DJED CC1(C#N)CCC(NCCc2cccc(-c3ccccc3)c2)CC1 1651365939 ITLDVUJSIGTTBA-UHFFFAOYSA-N 318.464 4.958 30 20 DJED Cc1ccnc(N[C@@H](Cc2ccccc2)c2ccccc2)c1C#N 1654950918 QMVFTTPGLBTVDY-FQEVSTJZSA-N 313.404 4.658 30 20 DJED N#Cc1ccsc1NC(=O)N1CCC[C@H]1CC1CCCCC1 1678963383 WBQMFTBMFMLWGT-HNNXBMFYSA-N 317.458 4.586 30 20 DJED CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(/C=C\C(=O)O)o2)cc1 1776120121 WJJDQEIQSGEGMS-FAEGWCMCSA-N 324.376 4.571 30 20 DJED C=CCC1(C(=O)O)CCN([C@H](C)c2cccc3ccccc23)CC1 1776157338 CEWUQSAAJSTJIY-MRXNPFEDSA-N 323.436 4.644 30 20 DJED C=C(Br)CN[C@@H](C)c1ccc(Cl)cc1Cl 37681038 DVQABZBAOLUISF-QMMMGPOBSA-N 309.034 4.553 30 20 DJED CC(C)CCC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 65680216 RHUZMBJUUPPVTE-UHFFFAOYSA-N 308.381 4.725 30 20 DJED C=CCOc1cccc(NC(=O)c2oc3ccccc3c2C)c1 65749616 QEBLTOCPCONBGY-UHFFFAOYSA-N 307.349 4.558 30 20 DJED CCO[C@H](C)c1nc(CSCc2cccc(C#N)c2)cs1 76862388 LLOFJDSFPXBLMO-GFCCVEGCSA-N 318.467 4.546 30 20 DJED COc1ccc([C@H](C)N[C@@H](CCC#N)c2ccccc2)cc1F 90665903 KICQEVSEISQSDN-KSSFIOAISA-N 312.388 4.530 30 20 DJED C=CC1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 110359632 VYZSZLRHTXMSTM-KGLIPLIRSA-N 324.251 4.522 30 20 DJED Oc1ccccc1/C=N/[C@@H](CC(F)(F)F)c1ccc(F)cc1 131236278 BRNYWNASHFBRLH-MNUWJXFPSA-N 311.278 4.644 30 20 DJED N#CCC[C@H](N[C@H]1CCCc2cc(F)ccc21)c1ccccc1 183370356 OLLGHNJJLGCENY-PMACEKPBSA-N 308.400 4.838 30 20 DJED C=C(C)CN(CC)C(=O)Nc1sc(-c2ccccc2)nc1C 184480423 NQWXFXFEMZTMRX-UHFFFAOYSA-N 315.442 4.548 30 20 DJED CCC1(CNc2ccc(C#N)c(Br)c2)CCCC1 232935243 IKNPPDOTKAUWNT-UHFFFAOYSA-N 307.235 4.703 30 20 DJED N#CCOc1ccc(NC2c3ccccc3-c3ccccc32)cc1 324176093 PDFLLBGUCUWUHX-UHFFFAOYSA-N 312.372 4.771 30 20 DJED N#CCC[C@H](N[C@H]1CCC[C@H](c2cccnc2)C1)c1ccccc1 337364428 ASEWCHLOVJVVHW-JBACZVJFSA-N 319.452 4.742 30 20 DJED CC(C)(C#N)CCn1ccc(-c2cc(Cl)ccc2Cl)n1 410308909 PWSXBTFEEDWLAY-UHFFFAOYSA-N 308.212 4.797 30 20 DJED CO[C@@H](C)c1nc(CSCCC2(C#N)CCCCC2)cs1 419413350 FGMBDZFOSHRZKW-ZDUSSCGKSA-N 324.515 4.948 30 20 DJED Cc1nc(-c2cc([C@H](C)NCC3(CC#N)CC3)cs2)cs1 430744463 VCDLOUYLXPDFGY-NSHDSACASA-N 317.483 4.525 30 20 DJED C=C[C@H](CC(=O)Nc1nc(C2CCC2)cs1)c1ccccc1 436170541 MMYCMRBIGDYJOL-CYBMUJFWSA-N 312.438 4.709 30 20 DJED CCCn1ncc(N[C@@H](CC)c2ccc(C#N)cc2)c1C1CC1 453284025 IYVMGLICAGTTAL-KRWDZBQOSA-N 308.429 4.605 30 20 DJED CC(C)Oc1ccc2ccccc2c1CNc1cccc(C#N)n1 463751090 NZECUVUSVRCTOS-UHFFFAOYSA-N 317.392 4.506 30 20 DJED CCN(Cc1ccc(-c2cccc(F)c2)s1)C[C@H](C)C#N 509811990 LTXCMPSOSITFHP-CYBMUJFWSA-N 302.418 4.536 30 20 DJED CCCc1nc(CSCc2cc(C#N)ccc2F)cs1 520677591 FTXHMAUCGXVDJJ-UHFFFAOYSA-N 306.431 4.540 30 20 DJED C[C@@H]1CCCC[C@@H]1CC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 531202934 SZDVXEFDIQUAGL-VBSBHUPXSA-N 324.468 4.501 30 20 DJED C=CCC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 537950250 NYWZHQKGXXJJAA-KXBFYZLASA-N 310.397 4.953 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCC(C)(C)C1 541935956 LBTHMMXKDJRCTP-KBPBESRZSA-N 316.470 4.846 30 20 DJED CC(C)(CCC#N)CN[C@H](Cc1ccccc1)c1ccccc1 554077859 SRWMXEIONBFJNJ-HXUWFJFHSA-N 306.453 4.890 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)Nc1ccccc1CC#N 558190559 QTTHNMROVCMXET-DOTOQJQBSA-N 318.420 4.681 30 20 DJED Cc1c(C(=O)Nc2ccccc2CC#N)oc2c(Cl)cccc12 583453940 OBNXDKUNVZHLOR-UHFFFAOYSA-N 324.767 4.713 30 20 DJED CC(C)(CCC#N)CNC(=O)c1cc2c(Cl)cccc2s1 588177969 IQLZIBAWMIGVPX-UHFFFAOYSA-N 320.845 4.614 30 20 DJED C=C(C)COc1cccc(NC(=O)N2CCC[C@H]2CC(C)C)c1 589739921 BURPTSVKJJZIPF-KRWDZBQOSA-N 316.445 4.684 30 20 DJED N#Cc1ccc(SCc2csc(-c3ccco3)n2)c(F)c1 610164706 SVPINZSYKMPDJF-UHFFFAOYSA-N 316.382 4.706 30 20 DJED CC(C)n1ncc2cc(N[C@H](C)c3cccc(C#N)c3)ccc21 611483107 VYNJKGSOTUQKGJ-CQSZACIVSA-N 304.397 4.662 30 20 DJED C=CCCc1ccccc1NC(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1 626555358 WHPVHPXFMGCGPK-ZIAGYGMSSA-N 322.399 4.560 30 20 DJED C=C(C)CN(C)C(=O)c1ccc(-c2cccc3cccnc23)cc1 671791010 RDNDKSNDMXMXPK-UHFFFAOYSA-N 316.404 4.550 30 20 DJED CC(=NNc1cccc(C)c1)c1ccc(Cl)c(Cl)c1O 727650870 WETMDXDUEVZEFF-UHFFFAOYSA-N 309.196 4.844 30 20 DJED COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2)cc(Cl)c1O 730437548 RZVUPJOHYIBFOZ-SNAWJCMRSA-N 316.784 4.567 30 20 DJED CCCCC[C@H](C)CC(=O)Nc1cc(C#N)ccc1OCC 742580552 FRVMVUXYOOALAS-AWEZNQCLSA-N 302.418 4.502 30 20 DJED C/C(=C/C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)C(C)(C)C 744036577 DBKFOUOMDSBVPF-WVUXNXBLSA-N 324.449 4.979 30 20 DJED COc1ccc(C)cc1/C=C1\CSc2ccc(F)cc2C1=O 747150998 OUZGFTBWVGDWHP-MDWZMJQESA-N 314.381 4.515 30 20 DJED C#CC[C@H](N[C@@H](CC)c1ccc(N(C)C)cc1)c1ccccc1 773115686 OEFMHEVKDXKNHL-SFTDATJTSA-N 306.453 4.558 30 20 DJED COc1cc(/C=C/C(=O)c2oc3ccccc3c2C)ccc1C#N 799495472 RSLRNWKSAFBAGL-CSKARUKUSA-N 317.344 4.518 30 20 DJED Cc1cc(C(=O)/C=C\c2ccc(OC(F)F)c(F)c2)oc1C 799895893 FPLVGPXEYFLZLO-HYXAFXHYSA-N 310.271 4.533 30 20 DJED CCCC(=NNc1ccccc1C(F)(F)F)c1cccnc1 814689165 WGYZKEFEHNMNLD-UHFFFAOYSA-N 307.319 4.717 30 20 DJED C#Cc1cccc(NC(=O)c2sc3ccccc3c2Cl)c1 817841761 VGMBRQDGBYZEJP-UHFFFAOYSA-N 311.793 4.788 30 20 DJED Cc1cc(C)c([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c(O)c1 841761327 IIRDCPIWBUCWJC-DNVCBOLYSA-N 320.436 4.609 30 20 DJED CC1(C)C[C@@H](c2ccccc2)N(Cc2cccc(C#N)c2F)C1 1171408123 POHAWZBUUOHSTD-SFHVURJKSA-N 308.400 4.671 30 20 DJED CC(C)[C@@H]1CCc2ccccc2[C@@H]1NCc1cccc(F)c1C#N 1205262277 RORQFCGUXPXFHK-LAUBAEHRSA-N 322.427 4.747 30 20 DJED CC[C@@H]1CCC[C@H]1NC(=O)Nc1scc(C(C)(C)C)c1C#N 1218513456 FPIBRWAECDOJBF-BXUZGUMPSA-N 319.474 4.617 30 20 DJED CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1scc(C(C)(C)C)c1C#N 1218513985 LGTDONXYXDFPRF-VXGBXAGGSA-N 319.474 4.712 30 20 DJED COc1cc(OCc2ccc(-c3ccccc3)cc2)ccc1C#N 1307337070 RFXMHBDOEJNRQF-UHFFFAOYSA-N 315.372 4.813 30 20 DJED Cc1cc(C#N)ccc1CSCc1ncccc1C(F)(F)F 1331872828 MTCSXERCSNXLJF-UHFFFAOYSA-N 322.355 4.714 30 20 DJED C=C(C)[C@@H](NCc1coc(C(C)(C)C)n1)c1ccc(F)c(F)c1 1334092639 GBINNUIURTZLFB-MRXNPFEDSA-N 320.383 4.657 30 20 DJED CCN(C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1)[C@H](C)c1ccc(C#N)cc1 1354057768 BLMRVXOWGDBGIC-WFXMFSGNSA-N 312.457 4.540 30 20 DJED CC(C)CN(C(=O)c1ccc(C2CC2)cc1)c1ccc(C#N)cc1 1354121230 NHOSWYYCPOWZFR-UHFFFAOYSA-N 318.420 4.738 30 20 DJED CSc1cc(C)ccc1CNc1ncc(Cl)c(C)c1C#N 1472728548 NKYWISXHHPXVRP-UHFFFAOYSA-N 317.845 4.558 30 20 DJED Cc1cc(CN(C)Cc2ccc(C#N)cc2)ccc1C(F)(F)F 1474364863 ODUHDZDMFRCBIN-UHFFFAOYSA-N 318.342 4.518 30 20 DJED CC1(C)CCC[C@H]1C(=O)Nc1sc2c(c1C#N)CCCCC2 1521563939 BPRVRKFQIKKTRN-AWEZNQCLSA-N 316.470 4.653 30 20 DJED CCCn1ccc2cc(NC(=O)CC3(C#N)CCCCC3)ccc21 1535760670 UFVHMXNHOCUHGH-UHFFFAOYSA-N 323.440 4.854 30 20 DJED N#Cc1nnc2ccccc2c1Nc1ccc(C2CCC2)cc1 1559178604 TWYYJISBVRLPPU-UHFFFAOYSA-N 300.365 4.513 30 20 DJED Cc1cccc([C@H]2CCCN2Cc2ccc(C#N)cc2Cl)c1 1615234344 SXQNVXBZPOXYQL-LJQANCHMSA-N 310.828 4.857 30 20 DJED C[C@@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1C 1616375564 PJGXJQREAJNSLH-SJORKVTESA-N 304.437 4.703 30 20 DJED COc1cccc(CN(Cc2ccc(C#N)c(C)c2)CC(C)C)c1 1621167812 SIQRZPLGTWDJDP-UHFFFAOYSA-N 322.452 4.534 30 20 DJED Cc1ccc(N(CCC#N)C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 1631761781 DTEMBVLWZZZLPP-CEXWTWQISA-N 324.468 4.848 30 20 DJED N#Cc1ccc(Cl)cc1Oc1nc2cccc(F)c2s1 1639635210 RDLOYIRCCAJHLW-UHFFFAOYSA-N 304.733 4.753 30 20 DJED CC(C)[C@@H]1C[C@H](Nc2ncc(C#N)cc2Cl)c2ccccc21 1643044849 SBARLDJRWVTZIG-RDJZCZTQSA-N 311.816 4.903 30 20 DJED Cc1cc(CNc2ccccc2OC2CCCC2)ccc1C#N 1650725520 QAVFMVFUGFZNEK-UHFFFAOYSA-N 306.409 4.800 30 20 DJED C[C@@H]1CCCc2ccccc2[C@@H]1NCc1cccc(F)c1C#N 1652121289 YNLVRCPLSIMIGT-JLTOFOAXSA-N 308.400 4.501 30 20 DJED CC[C@H]1CCCC[C@H]1N(C)c1ccc(C#N)c(Br)c1 1655259329 ZQOHEHYKCMFWIX-BLLLJJGKSA-N 321.262 4.726 30 20 DJED CC(C)[C@H]1/C(=C/c2cc(C(=O)O)ccc2F)C(=O)c2ccccc21 1776308627 IRXVNAMFGCXMDZ-CFINBHSISA-N 324.351 4.543 30 20 DJED Cc1ccc(/C=C/C(=O)c2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] 59270376 CJNQYJNECQMZIG-QPJJXVBHSA-N 319.719 4.592 30 20 DJED C=C(C)CN(CC)C(=O)c1ccccc1CCc1ccccc1 60624962 HDUPBXVSKFNPLU-UHFFFAOYSA-N 307.437 4.510 30 20 DJED N#Cc1ccc(CN[C@H]2CCSc3ccc(Cl)cc32)s1 135673861 LWHDWZFCQRNTEK-AWEZNQCLSA-N 320.870 4.600 30 20 DJED Cc1nc2ccc(NCc3ccc(O[C@@H](C)C#N)cc3)cc2s1 155676523 FVCRMSDXWYOIBS-LBPRGKRZSA-N 323.421 4.508 30 20 DJED CC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(F)cc1F 174358115 UZUBHWHWMOXUAD-KPZWWZAWSA-N 300.352 4.638 30 20 DJED C[C@H](NCc1ccc(C#N)s1)c1ccc(-c2ccncc2)cc1 176980854 FZRJQRQVVFAPHR-AWEZNQCLSA-N 319.433 4.533 30 20 DJED C=CCC[C@@H](NCc1nc(-c2ccccc2)no1)c1ccccc1 180034737 XBRYUQJHTNDQRT-GOSISDBHSA-N 319.408 4.534 30 20 DJED COc1ccc([C@H](N[C@H](C)c2cccc(C#N)c2)C(C)C)cc1 181420172 XTVZXTROAKJHQT-FOIQADDNSA-N 308.425 4.615 30 20 DJED Cc1ccc(-c2nc(/C=C/C(=O)c3cncc(C)c3)cs2)cc1 184778261 WJLCZPLAZAYZQR-BQYQJAHWSA-N 320.417 4.718 30 20 DJED C=C(C)[C@@H](N[C@H](C)c1ccccc1O)c1ccc(F)c(F)c1 186448522 PNUJVSJYQOLDLH-KZULUSFZSA-N 303.352 4.638 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(C(F)(F)F)cc2)cc1 206980185 CMHNHYFPGCADPY-WCIBSUBMSA-N 306.283 4.610 30 20 DJED C[C@@H](Nc1cccc(F)c1C#N)c1nc(C(C)(C)C)cs1 301172564 FDOVPLWXALTFHX-SNVBAGLBSA-N 303.406 4.624 30 20 DJED N#Cc1cc(Br)ccc1CSc1cccs1 309182920 GBFWWQXVQYLANJ-UHFFFAOYSA-N 310.241 4.675 30 20 DJED C[C@H]1CC(C)(C)CC[C@@H]1Nc1ccc(C#N)c(Br)c1 311660425 JTAZWPRNFZPRLC-NHYWBVRUSA-N 321.262 4.947 30 20 DJED Cc1cc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)sc1C 316790612 RARSXGYLFCQIRM-UHFFFAOYSA-N 324.327 4.508 30 20 DJED CC(C)(C)C[C@H](NCCCSCC#N)c1ccc(F)cc1 341457371 OJYCTPRBIKOELH-INIZCTEOSA-N 308.466 4.539 30 20 DJED CC1CCC(CC(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 352165039 AMAVXYIZGNXCCP-TVPLGVNVSA-N 312.457 4.754 30 20 DJED CC(C)CCN(CCC#N)Cc1cnc(C2CCCC2)s1 353423669 RAFMQFGHTXPVBY-UHFFFAOYSA-N 305.491 4.562 30 20 DJED C[C@@H](CCc1ccco1)N[C@@H]1CCCCc2cc(C#N)ccc21 360821648 MJSAXXPDZYZFAR-MGPUTAFESA-N 308.425 4.530 30 20 DJED C[C@@H]1C[C@H]1c1ccc(CNc2ccc(C#N)c(C(F)(F)F)c2)o1 390385772 ZKLHJGNQRKRTIX-QMTHXVAHSA-N 320.314 4.906 30 20 DJED C=CCCCCNC(=O)Nc1ccccc1-c1csc(C)n1 433781670 FQEGQYIKCROODS-UHFFFAOYSA-N 315.442 4.596 30 20 DJED C[C@H](c1ccc(-c2ccccc2)cc1)N(C)c1ncccc1C#N 462922335 BZQKPYUBVOXKSC-MRXNPFEDSA-N 313.404 4.818 30 20 DJED C=CCC(CC=C)C(=O)N1CCSc2ccc(Cl)cc21 468614418 ZSOVNESLOZCKKO-UHFFFAOYSA-N 307.846 4.547 30 20 DJED Cc1ccc(SC[C@@H](C)N[C@H](C)c2cccc(C#N)c2)cc1 471603285 SELSOKFJMMDJSX-HZPDHXFCSA-N 310.466 4.698 30 20 DJED CCC[C@@H](C)CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 505539186 FRIHWPBGUPUSAP-MFKMUULPSA-N 313.228 4.501 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C[C@H]1CCCC[C@H]1C 518881103 ZKPDVLHVFPKMFV-VQIMIIECSA-N 312.457 4.512 30 20 DJED Cc1ccc(CN[C@@H](C)c2cccc(C#N)c2)c(OC(C)(C)C)c1 537295378 IXOSSYUVLUPOOF-INIZCTEOSA-N 322.452 4.895 30 20 DJED CN(Cc1ccc(C#N)s1)C1c2ccccc2-c2ccccc21 537649642 SITUFSPLBBJSNR-UHFFFAOYSA-N 316.429 4.822 30 20 DJED C=CCCOCCCCC(=O)N1CCCC[C@@H]1c1ccccc1 545970261 XQXPFWHQCSLAIT-LJQANCHMSA-N 315.457 4.503 30 20 DJED C=CCC(C)(C)c1noc([C@@H]2CCC[C@H](C(F)(F)F)C2)n1 556360623 ASZWFEREBJUKAQ-MNOVXSKESA-N 302.340 4.759 30 20 DJED CC[C@@H](NCc1ccc(C(C)(F)F)cc1)c1ccc(C#N)cc1 559879154 ZIZGPPHDIYPMAZ-GOSISDBHSA-N 314.379 4.911 30 20 DJED N#CCCCCCC(=O)N1CCC(c2ccc(Cl)cc2)CC1 588164332 BSNJCOLYYPSGFT-UHFFFAOYSA-N 318.848 4.520 30 20 DJED C=C(C)COc1cccc(NC(=O)Cc2cc3ccccc3o2)c1 589384640 XVLFWUXPXPCWNE-UHFFFAOYSA-N 321.376 4.569 30 20 DJED C=CCCCCCN(C)C(=O)N[C@H](c1ccccc1)C(C)C 606918589 JOSOCSFYXWUPHA-SFHVURJKSA-N 302.462 4.772 30 20 DJED Cc1ccc(-c2ccc(C(=O)N(CCC#N)C(C)C)c(F)c2)cc1 609307182 WNZMTLHGJHNPKQ-UHFFFAOYSA-N 324.399 4.565 30 20 DJED C[C@@H]1C[C@H](CC(=O)N[C@H](C)c2cccc(C#N)c2)CC(C)(C)C1 610360667 CBZRQVSYYAKGBT-BFYDXBDKSA-N 312.457 4.588 30 20 DJED O=C(/C=C/c1cc2ccccc2o1)c1ccccc1OC(F)F 728694765 IRJXYSXDTSPYIF-MDZDMXLPSA-N 314.287 4.930 30 20 DJED CC(Cc1ccsc1)=NNc1ccnc2cc(Cl)ccc12 729633651 QOTAMZQFSDRDOR-UHFFFAOYSA-N 315.829 4.980 30 20 DJED C=CCN(C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl)C(C)C 730475036 WTFXEJPRPBVQBC-GFCCVEGCSA-N 314.256 4.595 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2cc(C(F)(F)F)ccc2F)cc1 733205100 KMEHDJFBVRFATP-VMPITWQZSA-N 319.257 4.612 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)c1ccc(C)o1 742485981 JWMLUVSRJRKGDG-LBPRGKRZSA-N 323.845 4.621 30 20 DJED C#CCCCC(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C 757920798 FXTSPKVDTOKGJR-QGZVFWFLSA-N 321.420 4.877 30 20 DJED C#CCCCC(=O)N(c1cccc(C(F)(F)F)c1)[C@H](C)C1CC1 758076849 QMXRZCDOIIMNIV-CYBMUJFWSA-N 323.358 4.640 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(Cl)nc2)c2ccccc12 759082581 IGTAPNVHBABJGJ-TWGQIWQCSA-N 323.779 4.793 30 20 DJED COc1ccc(/C=C/C(=O)c2occc2C)cc1OCC(C)C 769784007 MKYVOWUUKCYSNK-FNORWQNLSA-N 314.381 4.528 30 20 DJED C[C@H](OC(=O)/C=C\c1ccccc1C#N)c1ccccc1Cl 775081645 FTALBQGWHSJVJU-OEYXZAGESA-N 311.768 4.529 30 20 DJED Cc1cccc([C@@H](NCc2ccc(OCC#N)cc2)C(C)(C)C)c1 775523590 KWWXVVCLAYUXIB-HXUWFJFHSA-N 322.452 4.774 30 20 DJED C=C(C)[C@H](N[C@H](C)c1ccnc(Cl)c1)c1ccc(F)c(F)c1 775559476 ZSYIOEVKRAMSFI-DIFFPNOSSA-N 322.786 4.981 30 20 DJED C#Cc1cccc(NC(=S)Nc2ccc(C)c(OC(C)C)c2)c1 782397185 QDGLBVKXUYEKDD-UHFFFAOYSA-N 324.449 4.572 30 20 DJED CC(CCCC(F)(F)F)=NNc1ncnc(Cl)c1C(C)C 797405360 SGNUSYQJBPQRMC-UHFFFAOYSA-N 322.762 4.774 30 20 DJED N#Cc1ccc(CNc2ccnc3c(F)cccc23)cc1Cl 800883571 CCYQEHUYRRRUKG-UHFFFAOYSA-N 311.747 4.511 30 20 DJED CC(=NNc1nc(C)cc(C)n1)c1ccc(-c2cccs2)cc1 818194155 DDPKYKXSUNUWNZ-UHFFFAOYSA-N 322.437 4.658 30 20 DJED C=CC[C@@H](Cc1ccccc1)NC(=S)Nc1c(C)cccc1C 840867257 PAXSRFGJRNBRKP-SFHVURJKSA-N 324.493 4.777 30 20 DJED Cc1ccc(-c2cncc(C(=O)O[C@H](C)CC(C)(C)C#N)c2)cc1 851208800 DYJILUAFCMBKBE-OAHLLOKOSA-N 322.408 4.542 30 20 DJED CC[C@H](C)c1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)cc1 858377256 XACPVAWLDUAOSG-DLBZAZTESA-N 322.452 4.953 30 20 DJED CC(C)n1cncc1/C=C/C(=O)c1ccc(SC(F)F)cc1 901476855 KZKSANZJTUYNPF-VMPITWQZSA-N 322.380 4.675 30 20 DJED CC(C)(CCC#N)CNc1cc(C(C)(C)C)nc(C(C)(C)C)n1 1186633153 OLEFNXQCXCLNLK-UHFFFAOYSA-N 316.493 4.813 30 20 DJED CCc1ccc2ccccc2c1CNc1snc(C)c1C#N 1187560316 YQMHOGNTGDGACF-UHFFFAOYSA-N 307.422 4.651 30 20 DJED Cc1ccc(C)c(CN2CCC(c3ccc(C#N)cc3)CC2)c1 1203752401 UQLVJDGPZCTSSV-UHFFFAOYSA-N 304.437 4.555 30 20 DJED CCCCN(C(=O)c1ccc(C#N)cc1F)[C@H](C)c1ccccc1 1265413604 STBRKTMCXYVTQZ-OAHLLOKOSA-N 324.399 4.701 30 20 DJED Cc1ccc([C@H]2CCC[C@@H]2N(C)c2cccc(F)c2C#N)cc1 1458209653 OWWZZTPGJFULBW-APWZRJJASA-N 308.400 4.778 30 20 DJED Cc1cc(C(=O)N(c2cccc(C#N)c2)C2CCC2)ccc1Cl 1528693985 SRUNIJJXJLWSLX-UHFFFAOYSA-N 324.811 4.719 30 20 DJED Cc1c([C@H](C)OC(=O)c2ccsc2C#N)oc2ccccc12 1537173598 XJQJHXBNIHKVPD-NSHDSACASA-N 311.362 4.592 30 20 DJED Cc1oc(C(C)(C)C)cc1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 1598327723 SUXSUKKKSBNSKR-CYBMUJFWSA-N 324.424 4.590 30 20 DJED Cc1cc(C#N)ccc1CN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 1617765314 HGPDOPRHVONMMV-YPAWHYETSA-N 316.448 4.635 30 20 DJED CCCN(Cc1cccc(C#N)c1F)[C@H]1CCc2ccccc21 1644426642 KUMMYOCYAZNWSF-IBGZPJMESA-N 308.400 4.597 30 20 DJED CC[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(F)c(C#N)c1 1644702068 UCUMBMFISACYPT-TZIWHRDSSA-N 322.427 4.856 30 20 DJED N#Cc1ccc(CN2CCC[C@H](CCCc3ccccc3)C2)s1 1644976777 CAFBYEXLAGSACK-SFHVURJKSA-N 324.493 4.855 30 20 DJED Cc1nc(N[C@@H]2c3ccccc3CC[C@H]2C(C)C)ccc1C#N 1651725647 CUZBPGGJIUYQKC-PXNSSMCTSA-N 305.425 4.633 30 20 DJED CC[C@@H](CNC1CCC(C)(C#N)CC1)Oc1cccc(Cl)c1 1655781916 PWWXFYLSRHXFJJ-PQUAAJSLSA-N 320.864 4.559 30 20 DJED N#CCc1cccc(NCc2c(Cl)cccc2OC(F)F)c1 1656262030 QIVJQGKBKVJPJB-UHFFFAOYSA-N 322.742 4.620 30 20 DJED CCOC(=O)Nc1ccc(N[C@@H](CC)C2CCCC2)cc1C#N 1659415678 ZFMOEMGCDWVJKO-INIZCTEOSA-N 315.417 4.507 30 20 DJED CCCCC1CCC(NC(=O)Nc2cc(C#N)ccc2C)CC1 1675079592 CQNACGOZADCWBX-UHFFFAOYSA-N 313.445 4.737 30 20 DJED N#CCCCOC(=O)c1sc2cc(Cl)ccc2c1Cl 21838516 QTGBGLFWSFCIFP-UHFFFAOYSA-N 314.193 4.669 30 20 DJED Cc1ccc(C#N)cc1NC(=O)C1(c2cccc(Cl)c2)CCC1 63961779 MWXMGXNDVWSVBC-UHFFFAOYSA-N 324.811 4.581 30 20 DJED O=C1/C(=C/c2ccc3ncccc3c2)Cc2c(Cl)cccc21 109266546 MWKDKGAOFDHQJR-GXDHUFHOSA-N 305.764 4.711 30 20 DJED C=C[C@@H](CC(=O)N1CCC[C@H]1c1ccsc1)c1ccccc1 153716713 NCJZHLLDXBYTKK-YJBOKZPZSA-N 311.450 4.772 30 20 DJED CC[C@H](C)Sc1ccc(NC(=O)NCCCCC#N)c(C)c1 171383507 FDTBHJKNFXGISG-AWEZNQCLSA-N 319.474 4.701 30 20 DJED Cc1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1OC(F)F 174099552 HNTRSAIFUYJTNU-GFCCVEGCSA-N 302.324 4.641 30 20 DJED CC(C)(NCc1ccc(C#N)cc1F)c1cccc(Cl)c1F 185847225 PUMUDKJEYQPXFJ-UHFFFAOYSA-N 320.770 4.515 30 20 DJED C=CC[C@@H](C(=O)N(CC=C)Cc1cccs1)c1ccccc1 193045317 FECHNXMPWGFOQW-GOSISDBHSA-N 311.450 4.623 30 20 DJED Cc1c(Cl)cccc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 193839181 CQSYFQHOLRPIDH-LBPRGKRZSA-N 318.829 4.718 30 20 DJED N#CC1(CCCNc2ccc(Cl)c(Cl)c2)CCOCC1 281315250 UTLLHAZBLCZTPU-UHFFFAOYSA-N 313.228 4.506 30 20 DJED OC(=Nc1csc(-c2ccncc2)n1)C1CCC(F)(F)CC1 330306918 RUHQJIBJLPNWMI-UHFFFAOYSA-N 323.368 4.619 30 20 DJED C[C@@H]1CC[C@H](CC(=O)N(Cc2ccco2)c2ccccc2C#N)C1 345473189 WHDQFJBHHCLJEK-CVEARBPZSA-N 322.408 4.511 30 20 DJED CC[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1F 353280083 ZTEUEBDNWMURDT-OALUTQOASA-N 312.363 4.565 30 20 DJED CC(C)(C#N)CCCC[S@](=O)C1CCC(C(F)(F)F)CC1 414267934 NOKKXKWOXXHIAF-BOOFNHFASA-N 323.424 4.576 30 20 DJED C[C@@H](c1ccc(Oc2ccccc2)cc1)[S@@](=O)CCCC#N 417175556 BDSUUDIMQYNSOH-NYHFZMIOSA-N 313.422 4.592 30 20 DJED C=CCC[C@H](NC(=O)N(CC1CC1)CC1CC1)c1ccccc1 435114670 VAQXSAPFBANKBC-IBGZPJMESA-N 312.457 4.526 30 20 DJED COc1ccccc1C[C@@H](NCCCCC(C)(C)C#N)C(C)C 444681771 WOCCZKQMSCXEDE-GOSISDBHSA-N 316.489 4.572 30 20 DJED C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2SCCC#N)C[C@H]1C 448936169 DWEVYMDWLZLCLA-RBSFLKMASA-N 316.470 4.703 30 20 DJED CC1(C#N)CCC(N[C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 449227441 PJDFMUCCVIFSTH-HDYDNRTBSA-N 312.432 4.824 30 20 DJED C=C(C)[C@@H](NCc1cc(F)ccc1OC)c1ccc(F)c(F)c1 462901317 CGNDTEAEDXIIOX-GOSISDBHSA-N 321.342 4.520 30 20 DJED C[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 471285018 CERFKDDYEMFVLU-SNVBAGLBSA-N 319.191 4.607 30 20 DJED N#CC[C@@H](CC(=O)Nc1ccc(F)cc1Cl)c1ccccc1 474099461 UNSKVFMAWGJDNM-ZDUSSCGKSA-N 316.763 4.505 30 20 DJED C=C(C)CN(C)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 481697193 FRMOCFLQXIAUSJ-UHFFFAOYSA-N 314.360 4.658 30 20 DJED C=CCCCCCS[C@H](C)C(=O)Nc1cc(C)ccc1OC 485579154 GPBQKVVEMOADJE-OAHLLOKOSA-N 321.486 4.810 30 20 DJED C[C@@H](N[C@@H](CC(C)(C)C)C(F)(F)F)c1ccc(C#N)c(F)c1 495391665 QZOFIIHAUDHUQM-YGRLFVJLSA-N 316.342 4.715 30 20 DJED Cc1ccc(C#N)cc1NCc1ncc(-c2ccccc2)s1 500976298 UEBMSLUYKOHZTR-UHFFFAOYSA-N 305.406 4.602 30 20 DJED CCN(Cc1ccc(C#N)cc1)[C@H](C)c1cc2ccccc2o1 513416816 QSOLWJJFIXTZFG-OAHLLOKOSA-N 304.393 4.888 30 20 DJED N#CCCCCN[C@@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 537294857 GYZSTBAUJUJZFR-XJKSGUPXSA-N 311.256 4.913 30 20 DJED C[C@H](c1cc2ccccc2o1)N(C)Cc1ccc(CC#N)cc1 542211546 CVVHQLAUNCUNAA-OAHLLOKOSA-N 304.393 4.692 30 20 DJED N#Cc1ncccc1SCc1csc(C2CCCCC2)n1 566630398 KWYICNGJVSBHHY-UHFFFAOYSA-N 315.467 4.750 30 20 DJED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cc2ccncc2s1 595030311 QCIRYQNCMHAXQP-ZDUSSCGKSA-N 319.433 4.508 30 20 DJED C=CCCCCCN(C)C(=O)NC[C@H](CC)c1ccccc1 606965123 FBOMZQPMKSGWNG-KRWDZBQOSA-N 302.462 4.568 30 20 DJED Cc1cc(C#N)ccc1COc1cnccc1-c1ccccc1 618064498 WTRPAWZKGHBARH-UHFFFAOYSA-N 300.361 4.508 30 20 DJED COc1cccc(NN=CC(c2ccccc2)c2ccccc2)c1 725853651 QLNOWHMTKZHQTM-UHFFFAOYSA-N 316.404 4.925 30 20 DJED CC1(c2ccccc2)CC(=NNc2nccc3sccc23)C1 729637141 HTTVTPJTXILVDZ-UHFFFAOYSA-N 307.422 4.816 30 20 DJED N#CCOc1ccc(CS[C@@H]2CCCc3ccccc32)cc1 731157858 LBZSJFGZTYIIEH-LJQANCHMSA-N 309.434 4.900 30 20 DJED C=CCN(C(=O)Nc1cc(Cl)c(F)c(Cl)c1)C(C)C 755511309 ZYVSHHDGYYRPKK-UHFFFAOYSA-N 305.180 4.561 30 20 DJED O=C1/C(=C/c2ccc(Cl)nc2Cl)CCc2cc(F)ccc21 761480824 ULNMQOADSCUPOK-JXMROGBWSA-N 322.166 4.740 30 20 DJED C#Cc1cccc(N(C(=O)c2cccc(Cl)c2F)C(C)C)c1 763389508 YUYLZFUVJJCBTL-UHFFFAOYSA-N 315.775 4.516 30 20 DJED FC(F)(F)C1CCC(=NNc2nccc3sccc23)CC1 766017524 SNRAPEWRJUXVHF-UHFFFAOYSA-N 313.348 4.817 30 20 DJED C=CCCCCCN(C)C1CCC(NC(=O)OC(C)(C)C)CC1 770510075 IPHTVSKHUSACMD-UHFFFAOYSA-N 324.509 4.501 30 20 DJED C#CCCCCC(=O)N(c1cccc(C(F)(F)F)c1)C(C)C 775612968 HXVMTVZPJAGAOS-UHFFFAOYSA-N 311.347 4.640 30 20 DJED C#CCCCCCC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 779805744 RDBKSKMZDAFEMR-QGZVFWFLSA-N 303.833 4.587 30 20 DJED C#CCCCCCC(=O)NC(c1cccs1)c1cccs1 779954195 OJWLCOBPQXLUBB-UHFFFAOYSA-N 317.479 4.599 30 20 DJED C#CCCCCCC(=O)Nc1cc(-c2cccnc2)ccc1C 794093396 SZQHHWMVMIFKNH-UHFFFAOYSA-N 306.409 4.579 30 20 DJED Cc1nc(-c2ccccc2)ccc1C(=O)OCC(C)(C)CCC#N 798878464 DPIQBMRXKPUEIJ-UHFFFAOYSA-N 322.408 4.544 30 20 DJED CC1(C#N)CCC(Nc2ccc(N3CCCC3)c(Cl)c2)CC1 823539415 YNMLJYXLOKIQAU-UHFFFAOYSA-N 317.864 4.825 30 20 DJED CCCCCCCNC(=O)c1c(Cl)cc(C#N)cc1Cl 862357832 IWMDTGHDVLUXHP-UHFFFAOYSA-N 313.228 4.565 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC(=O)CC1CCCCCC1 1125468537 WOTIARGJGRMFRO-UHFFFAOYSA-N 314.429 4.644 30 20 DJED CCC[C@@H](CCc1ccccc1)Nc1snc(Cl)c1C#N 1162605400 MXURJCNKMNICPY-ZDUSSCGKSA-N 319.861 4.882 30 20 DJED C[C@@H]1Sc2ccccc2N(Cc2ccc(C#N)s2)[C@H]1C 1167813364 WHFJSOZFXPEKLO-RYUDHWBXSA-N 300.452 4.509 30 20 DJED Cc1cccc(C)c1OC[C@H](NCCC(C)(C)C#N)C(C)(C)C 1168766798 VHDKZRMBWGZIGH-KRWDZBQOSA-N 316.489 4.626 30 20 DJED Cc1cc(Oc2cc(C(F)(F)F)ccc2Cl)ncc1C#N 1184564362 ZSUUYAPJILWIAS-UHFFFAOYSA-N 312.678 4.726 30 20 DJED C[C@H](CCC#N)CN[C@H](c1ccc(F)cc1)C1CCCCC1 1207143357 VOQHYXNWOVBUSV-BEFAXECRSA-N 302.437 4.977 30 20 DJED CC(C)c1ccc([C@H](C)CC(=O)Nc2ccc(F)c(C#N)c2)cc1 1264923606 KPCYZAPYHFFZHG-CQSZACIVSA-N 324.399 4.953 30 20 DJED C=C[C@H](Cc1nnc(-c2cc3ccccc3o2)o1)c1ccccc1 1328325239 OPSIRHLLDHYIIO-CQSZACIVSA-N 316.360 4.995 30 20 DJED CC[C@H](Nc1nc(C)c(C#N)cc1Cl)c1cc(F)ccc1F 1458198279 BYICVDOCCXDAPH-HNNXBMFYSA-N 321.758 4.757 30 20 DJED C[C@H](Sc1nccn1-c1cccc(F)c1)c1cccc(C#N)c1 1472946872 AFJMQIDADPYPRQ-ZDUSSCGKSA-N 323.396 4.736 30 20 DJED CC[C@@H](CC1CCCC1)C(=O)N[C@@H](CCC#N)c1ccccc1 1526439469 LZZBYDKBVQOFEC-HKUYNNGSSA-N 312.457 4.754 30 20 DJED C[C@H]1CC[C@H](OC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 1535810326 NJXRFJRXIQQTFN-LIRRHRJNSA-N 321.376 4.696 30 20 DJED Cc1ccnc(N(CCc2ccccc2)CCC(C)(C)C)c1C#N 1559265729 ZDYSXELMPJHTAC-UHFFFAOYSA-N 321.468 4.747 30 20 DJED CCC(CC)CN(CCC#N)Cc1cc(C)nc2ccccc12 1559577608 ALANEWRENSUUAJ-UHFFFAOYSA-N 309.457 4.695 30 20 DJED Cc1cccc(COc2ccc([C@@H](C)N[C@@H](C)CCC#N)cc2)c1 1559679330 ICASIGJCKUDXNZ-ZWKOTPCHSA-N 322.452 4.917 30 20 DJED C[C@@H](NCCc1ccc(C#N)cc1)C1(c2ccccc2)CCCC1 1617282980 HKQIBORIIVOUMY-GOSISDBHSA-N 318.464 4.591 30 20 DJED C[C@@H]1CCN(C(=O)CC2(C#N)CCCCC2)CC12CCCCC2 1639125206 IBZNNASYNAVTNU-QGZVFWFLSA-N 316.489 4.669 30 20 DJED N#Cc1cncc(Nc2cccc(CSC3CCCCC3)c2)n1 1650760284 STBGSKFFFLABPN-UHFFFAOYSA-N 324.453 4.658 30 20 DJED C[C@@H]1c2c(F)cccc2CCN1c1nc(C(C)(C)C)ccc1C#N 1650950951 RPJONZLWFRFKHB-CYBMUJFWSA-N 323.415 4.514 30 20 DJED Cc1nsc(NC[C@H]2CCCC[C@@H]2c2ccccc2)c1C#N 1651067237 MYPJBIRPXHRAPY-HZPDHXFCSA-N 311.454 4.709 30 20 DJED Cc1ccc(SCc2ccc(C#N)cc2OC(F)F)cc1 1651659884 VTJDMHNTTYNCLB-UHFFFAOYSA-N 305.349 4.760 30 20 DJED CC(C)c1ccccc1-n1ccnc1SCC1(CC#N)CC1 1652485856 SYNQDWFVXQYOGI-UHFFFAOYSA-N 311.454 4.782 30 20 DJED CCC[C@@H](C)CCCC(C)=NNc1ccc(CC(=O)O)cc1 1776085616 ZOHPFPDMDSULAP-CQSZACIVSA-N 304.434 4.708 30 20 DJED CC(C)Cc1ccc(C(=O)/C=C/c2cccc(C(=O)O)c2)s1 1776339648 IREUMALZVBTWEV-SOFGYWHQSA-N 314.406 4.541 30 20 DJED O=C(O)c1cccc(C(=O)/C=C/c2c(Cl)cccc2Cl)c1 1777685049 ZVXBKLJLOJCQQD-BQYQJAHWSA-N 321.159 4.588 30 20 DJED CCc1cccc(CC)c1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 43339681 VMLSXMYMVYQMBX-AWEZNQCLSA-N 321.424 4.566 30 20 DJED COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(F)F 57435454 UHKMORMUERKZKQ-WEVVVXLNSA-N 318.319 4.501 30 20 DJED C[C@@H](CC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1cccc(F)c1 115988683 FTDBHAQYRPLRIQ-AWEZNQCLSA-N 324.399 4.759 30 20 DJED CCCCCCCCCC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C 133678792 JOKDGIDNIWRORU-QGZVFWFLSA-N 319.493 4.831 30 20 DJED C=CCC(CC=C)C(=O)Nc1c(C)cc(Br)cc1C 160081555 XSBWMVNCTIDYSE-UHFFFAOYSA-N 322.246 4.773 30 20 DJED C=CCC[C@@H](C(=O)Nc1ccccc1COC)c1ccccc1 186723556 UREQLTOSRLXRDZ-GOSISDBHSA-N 309.409 4.522 30 20 DJED CCCc1cccc(C(C)C)c1NC(=O)c1cccc(C#N)c1 191525741 KXIWQPSHKPAWLZ-UHFFFAOYSA-N 306.409 4.886 30 20 DJED CC(C)(CCC#N)CNC[C@@H](Cc1ccccc1)c1ccccc1 236818275 RNGDARXFCZMOMR-OAQYLSRUSA-N 320.480 4.932 30 20 DJED Cc1ccc([C@H](C)Nc2cccc(OCCCC#N)c2)c(O)c1C 273502210 QLTJWIFKCRXICB-INIZCTEOSA-N 324.424 4.865 30 20 DJED CSCc1cccc(CNc2ccc3cc(C#N)ccc3n2)c1 302510398 SEYXSRDPWXCSJF-UHFFFAOYSA-N 319.433 4.582 30 20 DJED C=CCC[C@@H](NC(=O)Nc1cccc(OC)c1)c1ccccc1 435142332 VIDHTNZBXNRTOA-GOSISDBHSA-N 310.397 4.524 30 20 DJED C[C@@H](C(=O)Nc1ccc(F)c(C#N)c1)c1ccc2ccccc2c1 439742159 TVNAQTCKTXDFHG-CYBMUJFWSA-N 318.351 4.593 30 20 DJED CC1(C)CCc2ccccc2[C@H](NCc2ccc(C#N)s2)C1 441380048 OWLPGIFANYSXDS-GOSISDBHSA-N 310.466 4.813 30 20 DJED CC(C)(CCC#N)CN[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 449771481 JVFPQQQBJFIEGN-DOTOQJQBSA-N 304.865 4.896 30 20 DJED CC#CCCCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl 464535704 FBWGXJGABRTPHR-GFCCVEGCSA-N 312.240 4.706 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@@]2(CCCc3ccccc32)C1 467370455 OSIIXLHVUQOMSS-QFIPXVFZSA-N 323.480 4.652 30 20 DJED CC[C@H](CC#N)N[C@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 468476282 SBTLPHXCZLXPSG-IOASZLSFSA-N 311.256 4.911 30 20 DJED C=C(C)[C@@H](N[C@@H](C)c1ccccc1OC)c1ccc(F)c(F)c1 480657416 HDTDCLBKENVTEY-ORAYPTAESA-N 317.379 4.941 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1cc(C(F)(F)F)ccc1C 488539334 TYRIMWJDRUYBDM-ZDUSSCGKSA-N 312.335 4.586 30 20 DJED C=C(C)CCc1noc([C@@H](CC)Oc2ccccc2Cl)n1 508596034 QMGFNFORUSTGOV-CYBMUJFWSA-N 306.793 4.762 30 20 DJED CN(Cc1cc(Cl)cc(Cl)c1)Cc1ccc(C#N)s1 509564995 RLSHWLBGBUSSTG-UHFFFAOYSA-N 311.237 4.559 30 20 DJED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](C)CC1CCCCC1 510773824 VUHOTGPCKXADOE-KRWDZBQOSA-N 324.468 4.679 30 20 DJED C=C(C)CN(CCCCC(C)(C)C#N)Cc1cnn(C(C)C)c1 512556887 ICELCSYVCGUFHX-UHFFFAOYSA-N 316.493 4.562 30 20 DJED CC(C)COc1ccc(C(C)(C)NCc2ccccc2C#N)cc1 539317163 QEAFNPRUJDCMHJ-UHFFFAOYSA-N 322.452 4.618 30 20 DJED C[C@@H]1C[C@@H]1[C@H](NCCCC(C)(C)C#N)c1ccc(Cl)cc1 540522229 XWGHTSUXMNTFII-XOKHGSTOSA-N 304.865 4.957 30 20 DJED Cc1cc(CNc2ccc(C#N)cc2)ccc1Oc1cccnc1 545209189 QSCCIHGEUHZFOP-UHFFFAOYSA-N 315.376 4.666 30 20 DJED Cc1cc(C)cc(Oc2ccc(NC[C@@H](C#N)CCC#N)cc2)c1 554487786 LHVHHFDBHBRKIZ-QGZVFWFLSA-N 319.408 4.951 30 20 DJED C=CC[C@H](C(=O)NC[C@@H]1CCCCC(F)(F)C1)c1ccccc1 557322349 LRIGHSVBBKBORH-WBVHZDCISA-N 321.411 4.678 30 20 DJED C=CCCC1(c2nc(-c3ccccc3COC(C)C)no2)CC1 574556143 LNMJENTWTTUQLS-UHFFFAOYSA-N 312.413 4.659 30 20 DJED CC[C@H](C)Sc1ccc(NC[C@H](C#N)CCC#N)c(C)c1 576817095 YCNYSZDUQJQTBM-GJZGRUSLSA-N 301.459 4.741 30 20 DJED O=C(/C=C\c1ccc(Cl)c(C(F)(F)F)c1)c1ccncc1 588386376 LQFBFTFVROKNEQ-RQOWECAXSA-N 311.690 4.650 30 20 DJED N#CCCCCCC(=O)N1CC=C(c2cccc3ccccc23)C1 588672381 GNCSDSLHVRTQBH-UHFFFAOYSA-N 318.420 4.539 30 20 DJED Cc1ccccc1[C@@H](C)c1noc(CC2(C#N)CCCCC2)n1 596596281 MJIJSSDHJPYDLJ-OAHLLOKOSA-N 309.413 4.546 30 20 DJED CSc1ccccc1-c1ccc(C2(C#N)CCOCC2)cc1 596644912 ATSJLSDQSDBYDG-UHFFFAOYSA-N 309.434 4.647 30 20 DJED CC(C)CCc1noc(CS[C@@H](C)c2ccc(C#N)cc2)n1 609825796 UGQBOHNXCBTPSM-ZDUSSCGKSA-N 315.442 4.524 30 20 DJED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1ccc(C(F)F)nc1 658037443 WQPVCPIWECEJQU-YOEHRIQHSA-N 316.395 4.857 30 20 DJED FC(F)(F)COc1ccc(NN=CC2CCCCC2)cc1 727261433 ANAUGNLQXPUMND-UHFFFAOYSA-N 300.324 4.606 30 20 DJED C#Cc1cccc(NC(=O)N[C@H](C)c2cc3ccccc3s2)c1 730665176 SFMGWPCUHIZIFU-CYBMUJFWSA-N 320.417 4.765 30 20 DJED CC/C(=C\C(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccc(C)cc1 743775271 KKORHRSXAIONBA-HZGBGQKMSA-N 318.420 4.538 30 20 DJED CC(=NNc1cccc(C#N)c1)[C@H](C)c1nc2ccccc2s1 748780786 OCQFFQZYNQOSRU-LBPRGKRZSA-N 320.421 4.759 30 20 DJED CCC[C@H](C)CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 749054811 NUPOQLHJVJUPOU-CMPLNLGQSA-N 320.845 4.952 30 20 DJED C=CCN(C(=O)c1cccc(-c2c(F)cccc2F)c1)C(C)C 756978184 SCTLIFBNWHDWBX-UHFFFAOYSA-N 315.363 4.668 30 20 DJED C=CC[C@H](N[C@H]1CCSc2ccc(F)cc21)c1ccncc1 766023669 WNMIRZDIBRJXRY-IRXDYDNUSA-N 314.429 4.665 30 20 DJED O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)c1ccco1 769771510 PJHKGZJZSCNPEP-GQCTYLIASA-N 300.663 4.848 30 20 DJED CCCC(=CC(=O)N[C@H](C#N)c1ccc(Cl)cc1)CCC 770742732 WLIFXGFZXLWOJM-MRXNPFEDSA-N 304.821 4.547 30 20 DJED C[C@@H](C#N)Oc1ccccc1N[C@@H](C)c1ccc(Cl)cc1 779712239 DUEDHKHPMMWSEL-STQMWFEESA-N 300.789 4.804 30 20 DJED C[C@H](C#N)Oc1ccccc1NC/C=C\c1ccc(Cl)cc1 779988822 JTJXXJSFHMINPP-ZRUQZJFASA-N 312.800 4.756 30 20 DJED O=C(/C=C\c1ccc(-c2cccc(F)c2)s1)c1cncs1 787172385 LGTIBOWDGWLRLD-XQRVVYSFSA-N 315.394 4.907 30 20 DJED COCc1ccc(N[C@H]2CCCCc3cc(C#N)ccc32)cc1 795818311 XMZRIEHCWJPEQC-FQEVSTJZSA-N 306.409 4.584 30 20 DJED C[C@H](C#N)CSc1ccccc1NCC=C(Cl)Cl 849314580 MXNQPKDHUQYXQW-SNVBAGLBSA-N 301.242 4.669 30 20 DJED N#CCCCOc1cccc(CNc2ccc3occc3c2)c1 864017453 KZJQRJNHFOMIFV-UHFFFAOYSA-N 306.365 4.727 30 20 DJED Fc1ccc(NN=Cc2cc(Cl)ccc2OC(F)F)cc1 915935316 WTNLHCMMUODMJU-UHFFFAOYSA-N 314.694 4.527 30 20 DJED O=C(/C=C\c1ccc(F)c(F)c1)c1cccc(Br)c1 916134295 JNDMDRNPSXXVOB-ALCCZGGFSA-N 323.136 4.623 30 20 DJED Cc1c(C(=O)/C=C2\COc3ccc(F)cc32)oc2ccccc12 918156151 MEQTUBQAECABGI-XYOKQWHBSA-N 308.308 4.539 30 20 DJED N#CC1(CCCCN2CCC(OC3CCCCC3)CC2)CCC1 929424676 NBHICRWDUWWGGV-UHFFFAOYSA-N 318.505 4.664 30 20 DJED N#Cc1cc(Cl)ccc1SC[C@@H]1CCC2(CCCC2)O1 1165755970 WXBICKPJGSUWDJ-AWEZNQCLSA-N 307.846 4.796 30 20 DJED C[C@H](Nc1cccc(C#N)n1)[C@H](C)c1ccccc1C(F)(F)F 1185828209 STRZIPYZQVWMET-RYUDHWBXSA-N 319.330 4.576 30 20 DJED CCN(Cc1cccc(Cl)c1)c1nc(C)c(C#N)cc1Cl 1306934420 KDJHQZSVLIOEQI-UHFFFAOYSA-N 320.223 4.595 30 20 DJED Cc1ccc(CCN(CCC(C)(C)C#N)Cc2ccco2)cc1 1307502856 GFIZJIFDNVXOCX-UHFFFAOYSA-N 310.441 4.573 30 20 DJED Cc1ccc(O)c2c1[C@H](C)/C(=C\c1ccc3ncccc3c1)C2=O 1318306688 AQRROUGPJKKVFF-KWWJGWKXSA-N 315.372 4.632 30 20 DJED CCc1ccc([C@H](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 1322895369 WWZQINIZHOBTBV-CQSZACIVSA-N 317.392 4.517 30 20 DJED CCC[C@@H]1CCC[C@H]1C(=O)N(CC(C)C)c1ccc(C#N)cc1 1349943785 CRSQYQPKJJQYAU-IEBWSBKVSA-N 312.457 4.764 30 20 DJED Cc1ccc2ncc(C#N)c(OCC3CCC(F)(F)CC3)c2c1 1459100246 NJQDQPZKUBHAJG-UHFFFAOYSA-N 316.351 4.619 30 20 DJED CC(C)N(CCOc1ccccc1C#N)c1ccc(Cl)cc1 1459715949 SZNNRTKUHJXCNE-UHFFFAOYSA-N 314.816 4.505 30 20 DJED N#Cc1cnc(N[C@@H]2C[C@H]2c2ccc3ccccc3c2)c(Cl)c1 1472770017 BEPFVQXIDYVQTK-FUHWJXTLSA-N 319.795 4.728 30 20 DJED CCCc1ccc([C@@H](NC(=O)c2cc(C#N)oc2C)C(C)C)cc1 1520258089 YUMQJCYDLWJZAZ-IBGZPJMESA-N 324.424 4.539 30 20 DJED N#Cc1cc(NC(=O)CCCC2CCCCC2)nc2ccccc12 1520846347 AVKLMTISZILTDR-UHFFFAOYSA-N 321.424 4.796 30 20 DJED CC(C)(C#N)CC(=O)N(CC1CCCCC1)CC1CCCCC1 1526564185 VHHIFHMHWSUDSU-UHFFFAOYSA-N 318.505 4.915 30 20 DJED Cc1ccc(N(CC(C)C)C(=O)c2ccc(F)c(C#N)c2)c(C)c1 1531445814 NEIGCWODECFMDC-UHFFFAOYSA-N 324.399 4.617 30 20 DJED CCCc1c(NC2CCC(C)CC2)cnn1-c1cccc(C#N)c1 1560768238 UBTXBEVFEJBCGL-UHFFFAOYSA-N 322.456 4.687 30 20 DJED Cc1ccc(F)c(C(=O)Nc2cc3ccccc3cc2C#N)c1F 1597221283 LCWGMKJBPNJJHK-UHFFFAOYSA-N 322.314 4.550 30 20 DJED CCCN(Cc1cc(C#N)ccn1)[C@H](C)c1cc2ccccc2o1 1615265221 OESWQWXDCRXTGA-OAHLLOKOSA-N 319.408 4.673 30 20 DJED C[C@@H](CCC#N)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 1616691966 RZVQDYNMTZFMFF-GJZGRUSLSA-N 312.388 4.961 30 20 DJED CC(C)(C)Sc1ccc(NC(=O)c2ccccc2CC#N)cc1 1631874699 FIAFEBLENMQDEA-UHFFFAOYSA-N 324.449 4.896 30 20 DJED COc1ccccc1[C@H]1CC[C@@H](C)CN1Cc1cccc(C#N)c1 1645588708 DYVGRAMMMXCCAS-OXQOHEQNSA-N 320.436 4.540 30 20 DJED CCC[C@H]1CCCN1Cc1ccc(-c2ccccc2C#N)cc1 1648535178 HRWGUNDBOMBMBP-FQEVSTJZSA-N 304.437 4.990 30 20 DJED Cc1ccccc1[C@H](Nc1nc(C)c(C#N)cc1Cl)C1CC1 1651515823 DJXKVESGSIKUOO-QGZVFWFLSA-N 311.816 4.787 30 20 DJED CC(C)(CCC#N)CNc1ccc2c(c1)nc1n2CCCCC1 1658080043 ASUYKLFFSQTMHB-UHFFFAOYSA-N 310.445 4.505 30 20 DJED C[C@H](CCc1ccccc1)CN[C@H](CCC#N)c1ccccc1 1661985797 FJBPXFQTEYYNGC-WIYYLYMNSA-N 306.453 4.890 30 20 DJED C[C@H](C#N)Oc1ccccc1NC1CC(C)(C)CC(C)(C)C1 1663987983 GGGYUNBMTBSOJQ-CQSZACIVSA-N 300.446 4.994 30 20 DJED CC(C)(C)[C@H]1CCCC(=NNc2cccc(C(=O)O)c2)CC1 1776037093 UVYXGYJHRHRCTL-AWEZNQCLSA-N 302.418 4.779 30 20 DJED C[C@@H]1/C(=C\c2ccc3oc(C(=O)O)cc3c2)C(=O)c2ccccc21 1777408045 UZHQSORZIKWTEU-UJFYRASASA-N 318.328 4.514 30 20 DJED Cc1ccc(C(=O)O)cc1C(=O)/C=C\c1ccc(CC(C)C)cc1 1777436071 DEZPFJKLKQKEBQ-LUAWRHEFSA-N 322.404 4.788 30 20 DJED CCCCC1CCC(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 26128048 SMPLTFYITJMFQZ-MDCZIUGASA-N 312.457 4.732 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)Nc1cc(C)ccc1C 56527296 OONAGNAFHIQLNA-UHFFFAOYSA-N 312.388 4.663 30 20 DJED N#Cc1cccc(CN[C@H]2CCc3c(Cl)cc(Cl)cc32)c1 154576804 BMDUAHYLLANXMC-KRWDZBQOSA-N 317.219 4.642 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CCCC(C)(C)C2)n1 179409423 VFRBKAKFUSPULB-QWHCGFSZSA-N 304.459 4.659 30 20 DJED N#C[C@@H]1CCC[C@H](NC(c2cccs2)c2cccs2)C1 185843584 RHDKOBVRQLSJIF-OLZOCXBDSA-N 302.468 4.571 30 20 DJED C=C(C)[C@@H](NCc1cccc(OC)c1F)c1ccc(F)c(F)c1 192710730 TVBDRKKCCVWRLR-GOSISDBHSA-N 321.342 4.520 30 20 DJED C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc(N(C)C)cc1 193906684 CIAIFULVVZVPMH-MRXNPFEDSA-N 323.440 4.608 30 20 DJED CC(C)(CCC#N)CN[C@@H]1CCSc2ccc(Cl)cc21 229683720 XLKBYICHSCLLNM-CQSZACIVSA-N 308.878 4.796 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1ccccc1S[C@H](C)CC#N 281338086 KNVGMEJQVCDNTM-ZIAGYGMSSA-N 317.458 4.557 30 20 DJED Cc1cccc(C2(/C(O)=N/[C@H]3CCCc4c[nH]nc43)CCCC2)c1 330082979 BDTHRNDAZLYAOQ-KRWDZBQOSA-N 323.440 4.564 30 20 DJED CC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(OC)cc1 341760831 MTCVUCOACGAFAZ-RTWAWAEBSA-N 320.436 4.685 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCCc2cc(F)ccc21 341897192 QMICHDONQJNZCM-NHCUHLMSSA-N 320.411 4.742 30 20 DJED Clc1ccc(C#CCN2CCC[C@@H]2c2cccs2)cc1 426391571 RHFBOWBAXVNTCH-MRXNPFEDSA-N 301.842 4.590 30 20 DJED C[C@@H](CC(=O)N[C@H](CCC#N)c1ccccc1)C1CCCCC1 439666274 OHWBRCPGBPHEET-QFBILLFUSA-N 312.457 4.754 30 20 DJED CC1(C#N)CCC(N[C@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 449447950 CQCBTAALEOFJPZ-GMXGEUMGSA-N 320.839 4.992 30 20 DJED C=CCC1(C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)CCCC1 449918156 HJNFDWLQFWHDOG-HNNXBMFYSA-N 324.424 4.655 30 20 DJED Cc1ccc(Cl)cc1-c1noc([C@H](C)c2cccc(C#N)c2)n1 463051941 GDXWQUSEKKXJPC-GFCCVEGCSA-N 323.783 4.722 30 20 DJED N#Cc1cc(NC(=O)c2ccc3sccc3c2)ccc1Cl 471159771 KFGIZJOLOCJPKH-UHFFFAOYSA-N 312.781 4.679 30 20 DJED C[C@@H](NCc1cccc(C#N)c1)[C@@H]1C[C@H]1c1ccc(Cl)s1 474473148 PULXJAJIYAPUBI-BYCMXARLSA-N 316.857 4.555 30 20 DJED CCC1CCC(N(C)C(=O)C[C@@H](CC#N)c2ccccc2)CC1 474777710 SZHZUNPEUAXOGE-CUYAVPTFSA-N 312.457 4.501 30 20 DJED N#CC[C@H](CC(=O)N1CCC[C@@H]1C1CCCCC1)c1ccccc1 474976132 XRFOHZSMOXLNQT-WOJBJXKFSA-N 324.468 4.645 30 20 DJED C=CCOc1ccccc1CN[C@H]1CCc2ccc(Cl)cc21 479499512 NNJVNHGFYUKTJJ-SFHVURJKSA-N 313.828 4.682 30 20 DJED C=CCCC1(C(=O)NC23CCC(C(F)(F)F)(CC2)CC3)CC1 484261069 XJCHIEDSRCDVCV-UHFFFAOYSA-N 315.379 4.504 30 20 DJED C=C[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1Cl 488821214 JILVJKZALLOBRH-NSHDSACASA-N 317.738 4.540 30 20 DJED C=CCC[C@@H](C(=O)Nc1ccc(O)c(Cl)c1)c1ccccc1 490280699 AZFJHKVSRYRIPA-OAHLLOKOSA-N 315.800 4.734 30 20 DJED C=CC[C@@H](C)[C@@H](C)NCc1ccnc(Oc2ccccc2F)c1 494460541 ZMUIEQXZIYZPQK-HUUCEWRRSA-N 314.404 4.703 30 20 DJED C=CCN(Cc1cccs1)C(=O)C/C=C/c1ccccc1F 495209765 ITDZNGQEHHVJKM-VMPITWQZSA-N 315.413 4.505 30 20 DJED COc1cc(C#N)ccc1CN[C@@H](c1ccccc1)C1CCCC1 501238078 XRELQYGCJQMFGM-NRFANRHFSA-N 320.436 4.588 30 20 DJED Cc1c(C#N)cccc1C(=O)N(c1ccsc1)C1CCCCC1 511379390 BSONJROZFKOUIV-UHFFFAOYSA-N 324.449 4.908 30 20 DJED CCCC(CCC)SCCC(=O)Nc1ccccc1C#N 519900249 HTJKCFLSLDYBOY-UHFFFAOYSA-N 304.459 4.589 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1cccc(OCc2ccccc2C)c1 522652654 YRUZCBYYIRSPGG-MRXNPFEDSA-N 324.424 4.660 30 20 DJED N#Cc1ccc(NCc2ccc(-c3ccncc3)cc2)cc1Cl 523515576 PSSLXOZKURVIHG-UHFFFAOYSA-N 319.795 4.886 30 20 DJED CC(C)(C#N)CCSc1nc(-c2ccco2)nc2ccccc12 525503272 AKHZCNVOOWOXKI-UHFFFAOYSA-N 323.421 4.922 30 20 DJED N#CCN(Cc1ccc(Cl)c(C(F)(F)F)c1)C1CCCC1 539820679 HDWXEWJEZFAHJA-UHFFFAOYSA-N 316.754 4.627 30 20 DJED CC(C)[C@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 541998907 HXGBQAIMFZSCQJ-HOTGVXAUSA-N 320.436 4.695 30 20 DJED C=C(C)[C@H](CC(=O)Nc1ncc(C2CCCCC2)s1)OCC 543856883 PMYZVEKQDIKEJB-AWEZNQCLSA-N 322.474 4.501 30 20 DJED CC[C@H](CC(F)(F)F)Nc1ccc(C#N)c(C(F)(F)F)c1 544840503 VFNXIYQWOACFIU-SECBINFHSA-N 310.241 4.720 30 20 DJED C=CCOc1ccc(CN[C@@H](C)c2cc(F)c(F)c(F)c2)cc1 552323733 PPRCCUPMUPHVAX-LBPRGKRZSA-N 321.342 4.520 30 20 DJED C=CCC(C)(C)c1noc(-c2c(-c3ccccc3)noc2CC)n1 560024935 YEBCPLFTKPVVFO-UHFFFAOYSA-N 323.396 4.808 30 20 DJED C=CCN(Cc1cccs1)C(=O)C[C@H](C)c1ccccc1C 604695014 KNJKYNCULKTPQF-INIZCTEOSA-N 313.466 4.765 30 20 DJED C=CCCSCc1nnc(-c2ccc(Cl)cc2Cl)o1 610315529 VGCHDNWHIURXRF-UHFFFAOYSA-N 315.225 4.853 30 20 DJED C=C(C)CN(CC)C(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1 748167250 VQKUZKNYOGNGEJ-RAXLEYEMSA-N 311.347 4.533 30 20 DJED Cc1ccc2c(c1)S/C(=C/c1ccc(O[C@@H](C)C#N)cc1)C2=O 752892587 XEEXYKAIRLXAIJ-SGPNVBEDSA-N 321.401 4.615 30 20 DJED C=CCOc1ccccc1CN[C@@H](CC)c1ccc(N(C)C)cc1 765906048 FKHDSRPHUJZDSE-FQEVSTJZSA-N 324.468 4.558 30 20 DJED CC(C)Oc1ccccc1C=NOCc1ccc2ncccc2c1 769815894 UJKNHBCOKNZVKQ-UHFFFAOYSA-N 320.392 4.573 30 20 DJED Cc1cccnc1[C@@H]1CCCC(=NNc2cccc(Cl)n2)C1 793176040 XBAUZVKBTIFCDM-CYBMUJFWSA-N 314.820 4.564 30 20 DJED CC(=NNc1ncnc(Cl)c1C(C)C)c1cccc(C)c1C 797403968 DLEYOCPUXNPSSJ-UHFFFAOYSA-N 316.836 4.706 30 20 DJED CC(C)(C)c1ncc(/C=C/C(=O)c2nccc3ccccc23)s1 811699849 XZPKNCGDTOLIIC-CMDGGOBGSA-N 322.433 4.885 30 20 DJED C=C[C@H](CC)CC(=O)N1CCC(c2ccnc3ccccc23)CC1 821238776 MCRJRCZEODXWFQ-MRXNPFEDSA-N 322.452 4.543 30 20 DJED C[C@@H](C#N)Oc1ccccc1N[C@@H](C)[C@@H]1C[C@H]1c1cccs1 841754369 PQCDPFHOBGHSKL-ZQDZILKHSA-N 312.438 4.643 30 20 DJED N#CC1(CCCCOC(=O)Cc2cccc(C(F)F)c2)CCC1 909263857 NADAIECSYYUUKD-UHFFFAOYSA-N 321.367 4.574 30 20 DJED O=C(/C=C\c1cnc(-c2ccccc2)nc1)c1ccccc1Cl 917143722 PCADXODMRHDCBX-KHPPLWFESA-N 320.779 4.693 30 20 DJED CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNc1ncc(C#N)cc1Cl 1162326002 FKRSEOUCTGHOAS-YUELXQCFSA-N 305.853 4.727 30 20 DJED CCOc1cc(C)ccc1CNc1nc(C(C)(C)C)ccc1C#N 1162805819 HOSZNDGOKAZJSY-UHFFFAOYSA-N 323.440 4.570 30 20 DJED CC(C)CCOc1ccccc1CNc1cccc(F)c1C#N 1163041805 JAQAWSMYRSLGTI-UHFFFAOYSA-N 312.388 4.734 30 20 DJED Cc1cccc(-c2cccc(CNc3cc(C)c(C#N)cn3)c2)c1 1185198162 VFWUMLTZJQQQNH-UHFFFAOYSA-N 313.404 4.849 30 20 DJED N#CCc1cccc(NCc2ccccc2Oc2ccccc2)n1 1255095658 LKZSVYWDUJFBNL-UHFFFAOYSA-N 315.376 4.552 30 20 DJED CC(C)CN(CCC1(C#N)CCCCC1)c1ccc(C#N)cc1 1459725041 YXIBDPRPXRQMOO-UHFFFAOYSA-N 309.457 4.885 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1N1CCc2cc(F)ccc21 1472765144 AAUIGNQOMIGFPE-UHFFFAOYSA-N 323.758 4.593 30 20 DJED C[C@H]1CN(CCC2(C#N)CCCCC2)CC[C@@H]1c1ccccc1 1473193628 QRGUOUYBXLPNDT-ICSRJNTNSA-N 310.485 4.976 30 20 DJED CC(C)(C)c1cc(NC(=O)[C@@H]2CC3CCC2CC3)c(C#N)s1 1535487544 AGIJFMVWSIBHGL-WXRRBKDZSA-N 316.470 4.682 30 20 DJED CC(C)O[C@@H](CSc1ccc(C#N)cc1F)c1ccccc1 1613565884 JXIUFLJNPBHBNU-KRWDZBQOSA-N 315.413 4.956 30 20 DJED Cc1cc(Cl)ccc1Oc1ccc(CN(C)CCC#N)cc1 1615772378 GGKNIEZSGDCQJH-UHFFFAOYSA-N 314.816 4.786 30 20 DJED Cc1csc(NC(=O)NCC(C)(C)C2CCCCC2)c1C#N 1624564609 UVVUNXXCWDOWPX-UHFFFAOYSA-N 319.474 4.656 30 20 DJED COc1cc(C#N)ccc1COc1ccc(Cl)c2ccccc12 1652444208 GKFUXWBCJMCHHO-UHFFFAOYSA-N 323.779 4.952 30 20 DJED N#Cc1ccc(CN2C[C@@H]3CCCC[C@@]32c2ccccc2)c(F)c1 1657372601 IMQAZGXTDMBZEC-PZJWPPBQSA-N 320.411 4.599 30 20 DJED CCOc1ccc(C#N)cc1N[C@@H](C)[C@@H]1C[C@H]1c1cccs1 1659392972 LPEIDTBZKAUNKF-AEGPPILISA-N 312.438 4.623 30 20 DJED C=C(CNC(=O)Nc1ccc(CC)c(Cl)c1)c1ccccc1 1677366383 DCBONFYPUUYQDD-UHFFFAOYSA-N 314.816 4.737 30 20 DJED O=C(O)c1ccc(NN=C2CCCC[C@H](c3ccccc3)C2)cc1 1776013334 OOEMZXJUQWSHQN-KRWDZBQOSA-N 322.408 4.901 30 20 DJED CC(C)c1ccccc1/C=C1/C[C@H](C(=O)O)c2ccccc2C1=O 1776378092 RCELILDXUUKVFN-HVEPWOEZSA-N 320.388 4.648 30 20 DJED CCCc1nnc(/N=C(\O)c2ccc(SC(C)C)cc2)s1 50980312 MWNOZBLFEJQZQH-UHFFFAOYSA-N 321.471 4.627 30 20 DJED C=CCOc1cccc(NC(=O)c2cc(C)n(C(C)C)c2C)c1 65749339 QWPIUKPVIYUOJF-UHFFFAOYSA-N 312.413 4.503 30 20 DJED CCC(CC)CNC(=O)Nc1ccccc1S[C@H](C)CC#N 66955614 NXHMAIDKCRIQOL-CYBMUJFWSA-N 319.474 4.639 30 20 DJED O=C1/C(=C\c2ccsc2)CSC/C1=C/c1ccsc1 96766117 FGVZVWVANXBFDY-GFIWHYBVSA-N 304.461 4.593 30 20 DJED C=C[C@H](CC(=O)Nc1cccc(-c2ncco2)c1)c1ccccc1 179551111 LGELPVNEFBQSRP-OAHLLOKOSA-N 318.376 4.640 30 20 DJED CCCCCCCS(=O)(=O)Cc1ccc(C(F)F)cc1 185718321 IFHGPFLZUBSJSV-UHFFFAOYSA-N 304.402 4.509 30 20 DJED CC(C)(NCc1ccc(Cl)cc1C#N)c1ccc(F)c(F)c1 187436851 QLTCTQYXSHKWKU-UHFFFAOYSA-N 320.770 4.515 30 20 DJED C[C@@H]1CCC[C@@H](Nc2ccc(C#N)c(Br)c2)[C@@H]1C 228175295 AXBBTPLEQZOWDZ-UEKVPHQBSA-N 307.235 4.557 30 20 DJED C=CCC[C@H](N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccco1 286026354 IYLYEMPBNHNGHX-HBFSDRIKSA-N 311.425 4.797 30 20 DJED Cc1cc(C)c(NC(=O)CSCCC(C)(C)C#N)c(Cl)c1 289383592 KVKYVZYXZKVHNT-UHFFFAOYSA-N 324.877 4.568 30 20 DJED N#Cc1c(Cl)nsc1NCCc1csc2ccccc12 301116331 XNFNOUFFNQMJOH-UHFFFAOYSA-N 319.842 4.537 30 20 DJED CCOc1ccccc1-c1nc(-c2cccc(C#N)c2)cs1 317156682 MDMSGKPRROZKOD-UHFFFAOYSA-N 306.390 4.747 30 20 DJED C[C@@H]1CC[C@H](CC(O)=Nc2csc(-c3ccncc3)n2)C1 328742466 JMKBXJRCWWFWGS-NEPJUHHUSA-N 301.415 4.619 30 20 DJED CC1(C(O)=Nc2nc(C3CCOCC3)cs2)CCCCCC1 329224029 YYVCYZOCHYAHJR-UHFFFAOYSA-N 322.474 4.986 30 20 DJED C[C@@H](Nc1cccc(-c2nccs2)c1)c1cccc(C#N)c1 387062475 SARPLLNPYMAYAZ-CYBMUJFWSA-N 305.406 4.855 30 20 DJED N#Cc1ccc(C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)o1 428422056 LPAUQDLWCCKWMC-UHFFFAOYSA-N 322.751 4.724 30 20 DJED Cc1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)c(F)c1Cl 433534063 NWJNVVKBOCCHIG-UHFFFAOYSA-N 323.154 4.565 30 20 DJED CC#CCCCC(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1 464442883 PUOATKPOANVGBM-CQSZACIVSA-N 303.833 4.586 30 20 DJED N#Cc1ccc(NC(=O)c2cscc2-c2ccccc2)cc1F 464645412 DAXZWRALIVMTKX-UHFFFAOYSA-N 322.364 4.678 30 20 DJED C=CC[C@H](CC)NC(=O)N1CCC[C@@H]1c1cc(C)ccc1C 466397707 VASQJWWAXGFDQT-FUHWJXTLSA-N 300.446 4.505 30 20 DJED Cc1cccc(C)c1Oc1ccccc1NC(=O)CC(C)(C)C#N 469571505 WTWCNTGVNAXQBU-UHFFFAOYSA-N 322.408 4.974 30 20 DJED CCCCC[C@H]1CCCN1C(=O)C[C@@H](CC#N)c1ccccc1 476386988 QKVQHVLNDVTNCJ-MOPGFXCFSA-N 312.457 4.645 30 20 DJED C[C@H](N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1ccc(C#N)cc1 479485845 DXJMDEVMKZBMNF-QMIHWGKISA-N 308.400 4.684 30 20 DJED CC(C)[C@@H](CC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 482430425 BSVXBHLBPVUYKK-OXQOHEQNSA-N 320.436 4.565 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1cccc(-c2cccs2)c1 488282770 VMNSGGKZHCEQER-INIZCTEOSA-N 312.438 4.988 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1cc(C(F)F)ccc1Cl 497212149 BRJCPYVBMWLXEW-LLVKDONJSA-N 314.763 4.850 30 20 DJED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)Cc1cccc(C#N)c1 507204169 QIQQHQJDTPBMAV-ZDUSSCGKSA-N 318.342 4.770 30 20 DJED C[C@H](NCc1ccc(-c2ccccc2F)o1)c1ccc(C#N)cc1 524680639 LSYLTGOFALZFKK-AWEZNQCLSA-N 320.367 4.808 30 20 DJED CCC(CC)[C@@H](C)C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 536427969 URBJDCLEBHOKNQ-HUUCEWRRSA-N 300.446 4.540 30 20 DJED CC(C)[C@@H](C)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 541998908 HXGBQAIMFZSCQJ-HZPDHXFCSA-N 320.436 4.695 30 20 DJED C[C@@H](Nc1cc(C#N)ccn1)c1cc(F)c(Cl)cc1Cl 557477987 YAAMQTXBMVDTHO-MRVPVSSYSA-N 310.159 4.572 30 20 DJED Cc1c(Cl)cnc(N2CC(C)(C)[C@@H]2c2cccs2)c1C#N 568925678 IOZNEKHKLQDTFZ-AWEZNQCLSA-N 317.845 4.564 30 20 DJED COc1ccccc1[C@H](NCC(C)(C)CCC#N)C1CCCC1 573588456 RIEISURXYNZZGR-LJQANCHMSA-N 314.473 4.846 30 20 DJED C=CCN(Cc1ccc(C(=O)O)c(Cl)c1)CC1CCCCC1 580897357 MHAGXWXGUQPUFJ-UHFFFAOYSA-N 321.848 4.607 30 20 DJED N#CCCCCCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 588147323 SGPVMUIISPTBFH-UHFFFAOYSA-N 304.393 4.670 30 20 DJED N#CCCCCCC(=O)Nc1cc(C(F)F)ccc1Cl 588756076 JMGUVIYVNDZNPI-UHFFFAOYSA-N 300.736 4.690 30 20 DJED C[C@H](NCc1ccc(C#N)c(Cl)c1)c1nccc2ccccc12 589344235 TVTRBMTXTFSCNQ-ZDUSSCGKSA-N 321.811 4.611 30 20 DJED C=CC1CCN(C(=O)Nc2cccc(-c3cccs3)c2)CC1 601152515 PGGBUXOUGRTCQT-UHFFFAOYSA-N 312.438 4.845 30 20 DJED C[C@@H](c1ccccc1)n1ccc(N[C@H](C)c2cccc(C#N)c2)n1 611475559 CGBKUFQPEGJCII-CVEARBPZSA-N 316.408 4.537 30 20 DJED C=CCC[C@@H](NCc1cccnc1C(F)(F)F)c1ccccc1 625301474 VZQFCKJHOMKGTR-MRXNPFEDSA-N 320.358 4.898 30 20 DJED C=CCCCOC(=O)c1c(-c2c(F)cccc2Cl)noc1C 735523017 AEIBIVUOMBEDSY-UHFFFAOYSA-N 323.751 4.566 30 20 DJED CC(C)CCOc1ccc(/C=C\C(=O)c2cncc(F)c2)cc1 737443115 GOCYNKGGMMHPKD-YVMONPNESA-N 313.372 4.542 30 20 DJED CCOc1ccc(C=Nc2cc(C)c(C)c3ncccc23)c(O)c1 743044639 NMCMKZKXAUBDHT-UHFFFAOYSA-N 320.392 4.707 30 20 DJED Cc1ccc2c(Cl)c(C(=O)OCC3(CC#N)CC3)sc2c1 744276413 XTGAEPDMJZDACE-UHFFFAOYSA-N 319.813 4.714 30 20 DJED CC(C)[C@@H](Nc1snc(Cl)c1C#N)c1ccc(F)cc1 749260562 KELBWAOESMDNAW-GFCCVEGCSA-N 309.797 4.616 30 20 DJED CC(C)c1ncc(/C=C/C(=O)c2ccc(OC(F)F)cc2)s1 758423305 MGJGTEIASPGQHE-BQYQJAHWSA-N 323.364 4.764 30 20 DJED C=CCC(CC=C)C(=O)Oc1ccc(Oc2ccccn2)cc1 758510757 XRTAYDYTPLLUTR-UHFFFAOYSA-N 309.365 4.548 30 20 DJED Cc1cc(/C=C/C(=O)c2ccc(OC(F)F)cc2)cnc1Cl 760262701 CETLNCKUWAMABO-FARCUNLSSA-N 323.726 4.541 30 20 DJED C[C@H](C=NNc1ncnc2ccsc12)c1cccc(Cl)c1 763369311 FDUOKZCRKJEOKI-SNVBAGLBSA-N 316.817 4.546 30 20 DJED C=CC[C@H](N[C@H](CC)c1cc(F)ccc1F)c1ccncc1 766021833 UZXDLQYTSCDXDJ-MSOLQXFVSA-N 302.368 4.718 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N1CCC2(CCOCC2)C1 774820275 UWEKYYRPJJAAKX-SFHVURJKSA-N 323.521 4.792 30 20 DJED CCc1cnccc1C(=O)/C=C\c1coc(-c2ccc(C)cc2)n1 776193031 VYWWHKASOKXYPO-HJWRWDBZSA-N 318.376 4.504 30 20 DJED CC(C)Oc1cccc(/C=C/C(=O)c2cccc(F)c2F)c1 776268062 LBAAIEJWSKPWHF-MDZDMXLPSA-N 302.320 4.648 30 20 DJED CC(C)Oc1ccc([C@@H]2CCCC2=NOCc2cccnc2)cc1 776776230 IYFRUVSRCLNPCH-IBGZPJMESA-N 324.424 4.709 30 20 DJED C=CCC[C@H](C(=O)OCc1cccc(C(C)=O)c1)c1ccccc1 777753221 HPZKBCFFAPTQFH-FQEVSTJZSA-N 322.404 4.682 30 20 DJED O=C(/C=C\c1ccc(Cl)nc1Cl)c1ccc(F)c(F)c1 779359732 VPFJOIIHXKPIJG-DJWKRKHSSA-N 314.118 4.563 30 20 DJED C[C@@H](Oc1ccc(C(=O)OCC(C)(C)C#N)cc1)c1ccccc1 788371548 BYQYQFVAXGBAQL-OAHLLOKOSA-N 323.392 4.533 30 20 DJED N#CCOc1ccc(CSc2cc(Cl)ccc2F)cc1 795244491 NPFARBKQTYKROJ-UHFFFAOYSA-N 307.777 4.674 30 20 DJED C=CCC[C@H](Nc1cc(OC)c(OC)cc1F)c1ccco1 796901724 YYCPSJIVHFCKKE-ZDUSSCGKSA-N 305.349 4.555 30 20 DJED N#CCC1(CNCc2c3ccccc3cc3ccccc23)CC1 797469304 VQQGTHTZLYBPHH-UHFFFAOYSA-N 300.405 4.776 30 20 DJED Cc1oc2ccccc2c1/C=C1/Cc2nc(Cl)ccc2C1=O 806579422 GNJVCQJLLFTWBA-FLIBITNWSA-N 309.752 4.612 30 20 DJED C#CCC(C)(C)c1nc(-c2ccc(C)cc2OC2CCCC2)no1 809428404 SZVUECQMVGKPSB-UHFFFAOYSA-N 324.424 4.667 30 20 DJED COc1ccc(C(=O)/C=C/c2csc3ccccc23)cc1OC 810195648 AJHYSKSSLZJWNI-VQHVLOKHSA-N 324.401 4.815 30 20 DJED FC(F)(F)c1ccccc1ON=Cc1ccc2[nH]ccc2c1 811645922 FCEFMCWLZRCHPG-UHFFFAOYSA-N 304.271 4.600 30 20 DJED CC(=NNc1cccc2c1CCCC2)c1ccc(C(F)F)nc1 853294047 AHZZTWXPDBGTBX-UHFFFAOYSA-N 315.367 4.734 30 20 DJED C[C@@H](CC(C)(C)C#N)Nc1ccc2nc(C(F)F)sc2c1 894430145 RHCGWBZSCYCPOU-VIFPVBQESA-N 309.385 4.974 30 20 DJED CCOc1ccc(/C=C\C(=O)c2cc(C)ccc2C)cc1OC 916155989 UNHTXQSBUMHHHW-NTMALXAHSA-N 310.393 4.607 30 20 DJED Cc1ccccc1[C@@H](C)N1CC=C(c2ccc(C#N)cc2)CC1 1192948268 VZBGODGWQWVUMQ-QGZVFWFLSA-N 302.421 4.717 30 20 DJED CCOC(=O)Nc1ccc(N[C@H](C)CC2CCCC2)cc1C#N 1205380046 NCOSAOMEMWSWQZ-CYBMUJFWSA-N 315.417 4.507 30 20 DJED C[C@H]1CC[C@H](C(F)(F)F)CN1CCCCC1(C#N)CCC1 1262242226 WECRPYJMEWSWNW-KBPBESRZSA-N 302.384 4.513 30 20 DJED Cc1ccc([C@@H]2CCCCN2Cc2cccc(C#N)c2F)cc1 1307490891 RZFBPACJEVYKBI-IBGZPJMESA-N 308.400 4.733 30 20 DJED CCCCCCCCCC(=O)Nc1ccc([S@@](C)=O)cc1 1322111362 QBWVGBSSCSHNIT-OAQYLSRUSA-N 309.475 4.503 30 20 DJED CSc1ccccc1C(=O)/C=C\c1cnc(C(C)C)s1 1327031292 LDEBTZYNUQRCKX-HJWRWDBZSA-N 303.452 4.885 30 20 DJED CC(C)Sc1cccc(Cl)c1CNCC1(C#N)CCC1 1461813409 XLRWLCSKXMHVRQ-UHFFFAOYSA-N 308.878 4.624 30 20 DJED C[C@H](CC(=O)Nc1ccc(C#N)cc1Cl)C1CCCCC1 1534932612 VITUUVZTTWDJCL-GFCCVEGCSA-N 304.821 4.757 30 20 DJED CCC(C)(C)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1537997191 LOAJILWYVOTWHU-UHFFFAOYSA-N 308.381 4.725 30 20 DJED CC(C)C[C@@H](Cc1cccc(Cl)c1)NCC1(CC#N)CC1 1621294921 SXJVJKYLWNJMIC-KRWDZBQOSA-N 304.865 4.581 30 20 DJED Cc1cc(N2CCCC[C@H]2C)ccc1Nc1nccc(C)c1C#N 1642441416 JMHBKBMMWYGPLY-MRXNPFEDSA-N 320.440 4.693 30 20 DJED COc1cc(C#N)ccc1CN1CCCCC[C@H]1c1ccccc1 1644482657 JTIBVKVXPGWZJL-FQEVSTJZSA-N 320.436 4.684 30 20 DJED Cc1cc(C)cc(C2=CCN(Cc3cccc(C#N)c3F)CC2)c1 1644960450 NZDJDETXDIRWTK-UHFFFAOYSA-N 320.411 4.604 30 20 DJED C[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1C#N)C1CC1 1645575285 PNSVDKJBTGEROZ-CQSZACIVSA-N 310.828 4.937 30 20 DJED CC[C@@H]1CN(Cc2cccc(C#N)c2)CC[C@@H]1c1ccccc1 1652659713 YPOGHQLVTXODET-CTNGQTDRSA-N 304.437 4.574 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1cscc1Cl 1658510419 LJSUWGYOSQBYRR-UHFFFAOYSA-N 304.846 4.685 30 20 DJED O=C(O)c1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1F 1776114132 GWGHJXWEQJROHI-PKNBQFBNSA-N 320.319 4.573 30 20 DJED N#Cc1c(COc2ccc(Cl)cc2Cl)cn2ccccc12 14728644 GWXWXQAKJCGPMH-UHFFFAOYSA-N 317.175 4.697 30 20 DJED CC(C)Oc1ccccc1CNc1ccc(C#N)c(Cl)c1 37253272 MWFFNKIWYZLWNY-UHFFFAOYSA-N 300.789 4.611 30 20 DJED COc1cccc(/C=C/C(=O)c2sc(C(C)(C)C)nc2C)c1 59270045 KOYHBNRSXLKQPO-MDZDMXLPSA-N 315.438 4.654 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)c2cccc(C(F)F)c2)cc1 171534720 JJFDLZRIJQROIO-UHFFFAOYSA-N 314.335 4.678 30 20 DJED Cc1cc(/C=C\C(=O)c2nc3ccccc3s2)cc(C)c1O 213310380 ACWDTLVARUTDKU-FPLPWBNLSA-N 309.390 4.515 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1ccccc1 264517982 KALWFNYMLVEPAI-HNNXBMFYSA-N 324.449 4.510 30 20 DJED N#Cc1ccc(N2CCC[C@H]2c2cccs2)c(C(F)(F)F)c1 301318058 BYHOQXJAGUNLHJ-AWEZNQCLSA-N 322.355 4.980 30 20 DJED CC(C)(C)[C@H](Nc1snc(Cl)c1C#N)c1ccccc1 301965373 UNYNWHRAFIJTRQ-GFCCVEGCSA-N 305.834 4.867 30 20 DJED C[C@H](Nc1ccc(OCC#N)cc1)c1cccc(C(F)(F)F)c1 319899672 YJJUXYOIXYUIKD-LBPRGKRZSA-N 320.314 4.781 30 20 DJED N#Cc1cc(NCc2csc(Cl)c2Cl)ccc1F 432413078 JYSRJDOPKSEYIB-UHFFFAOYSA-N 301.173 4.678 30 20 DJED Cc1cc(OCc2csc(-c3ccsc3)n2)ccc1C#N 434649284 WHCSNZBFASAFGN-UHFFFAOYSA-N 312.419 4.631 30 20 DJED C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)c1cccc(C#N)c1 461747528 RDILXHCPNIXJSH-CQSZACIVSA-N 306.409 4.598 30 20 DJED CCc1cc(C#N)c(NC(=O)c2ccc3sccc3c2)s1 471207739 ORNLDKRLMMJVTB-UHFFFAOYSA-N 312.419 4.649 30 20 DJED C=C[C@H](CC(=O)N(C)CC1(c2ccccc2)CC1)c1ccccc1 474209179 WEYBLHCCKZDLLU-GOSISDBHSA-N 319.448 4.537 30 20 DJED C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(C#N)s1 487598694 ODHHJJPLQLGVNJ-CQSZACIVSA-N 324.449 4.623 30 20 DJED CCc1cc(C)cc(CC)c1NC(=O)c1cccc(C#N)c1C 510803424 NBLRGBGEZUJDQG-UHFFFAOYSA-N 306.409 4.552 30 20 DJED C[C@@H](Nc1ccc2cc(C#N)ccc2n1)c1c(F)cccc1F 536765739 AWTYYNJMMKHJQP-LLVKDONJSA-N 309.319 4.558 30 20 DJED CC[C@@H](C)[C@@H](NCCCSCC#N)c1ccc(Cl)cc1 538196999 AEHTYEWIVYFHRU-CZUORRHYSA-N 310.894 4.664 30 20 DJED C=CCCOCCCCC(=O)Nc1cc(C(C)C)c(O)cc1C 538281455 FXIVCWDCIXWARX-UHFFFAOYSA-N 319.445 4.526 30 20 DJED CCSc1ccc(Cl)cc1NCc1cc(C#N)cs1 557031723 HZJAULUCJGOJDL-UHFFFAOYSA-N 308.859 4.997 30 20 DJED C[C@H](NCc1ccc(OC2CCCC2)cc1)c1cccc(C#N)c1 559954459 FTTCCLUQHIEZBO-INIZCTEOSA-N 320.436 4.730 30 20 DJED N#CCCCCCC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 588642569 NEGCBANTWVKWOJ-FQEVSTJZSA-N 324.399 4.505 30 20 DJED C[C@H](CCC#N)CNc1cccc(NC(=O)C2CCCCC2)c1 602498372 YSNJUKGEULQQLQ-OAHLLOKOSA-N 313.445 4.557 30 20 DJED CCCOc1ccc(Cl)cc1N[C@@H](C#N)Cc1ccccc1 603955390 XRZCCIHRMFLDGO-MRXNPFEDSA-N 314.816 4.676 30 20 DJED Clc1cc(Cl)c(NN=C[C@@H]2CC=CCC2)nc1Cl 606442464 RNIGULYAIADLDV-MRVPVSSYSA-N 304.608 4.796 30 20 DJED CCOc1cc(/C=C/C(=O)c2cccc(C)c2C)ccc1OC 734304941 BNDOKRPLXWHEME-PKNBQFBNSA-N 310.393 4.607 30 20 DJED CC(=NNc1ncccc1Cl)c1cccc(Cl)c1Cl 734979766 KRIMTFCKOVUPKY-UHFFFAOYSA-N 314.603 4.878 30 20 DJED O=C(/C=C\c1cccc(-c2ccccn2)c1)c1cc(F)ccc1F 747695498 LZXLIGYBTMIYCQ-YFHOEESVSA-N 321.326 4.923 30 20 DJED O=C(/C=C\c1cccc(-n2cccn2)c1)c1coc2ccccc12 747705670 QDWVXTPJVYZGLI-KTKRTIGZSA-N 314.344 4.515 30 20 DJED C=CCN(C(=O)Cc1cc2c(ccc3ccccc32)o1)C(C)C 753071681 OFTUXHIGBYGPSB-UHFFFAOYSA-N 307.393 4.552 30 20 DJED N#Cc1cc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)ccc1F 756267727 NKDMSJDHXRSYHG-ALCCZGGFSA-N 319.257 4.612 30 20 DJED C=C[C@](C)(CC)C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 785759738 PHYAXLKCKPPVFA-QGZVFWFLSA-N 319.788 4.641 30 20 DJED CC(C)(C)c1cnc(/C=C2\CCc3cc(C#N)ccc3C2=O)s1 790601643 WQVJJYIJSLZKFH-NTEUORMPSA-N 322.433 4.525 30 20 DJED CC(C)(C#N)CCCC[S@](=O)[C@@H]1CCc2cc(Cl)ccc21 794789749 PWXVEQNCMWBWRV-IERDGZPVSA-N 323.889 4.796 30 20 DJED C=CC[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccncc1 795796877 VCOQMCZFRHUONB-SFTDATJTSA-N 317.436 4.628 30 20 DJED CCCN(C(=O)c1ccc(C)c(C#N)c1)c1ccc(Cl)cc1 799335207 SNRLQUCGEZTPJN-UHFFFAOYSA-N 312.800 4.577 30 20 DJED Cc1nn(C)c2sc(C(=O)/C=C/c3cc4ccccc4o3)cc12 806577244 OZBGWOBGFKBLCN-BQYQJAHWSA-N 322.389 4.586 30 20 DJED N#CC1(CSc2nnc(-c3ccc(Cl)cc3)o2)CCCC1 806584396 FIZSXRAMKZTTFE-UHFFFAOYSA-N 319.817 4.566 30 20 DJED O=C(/C=C\c1cccc(F)c1)c1ccc(F)c(Br)c1 810248552 XGYGRQDXONUZGJ-DAXSKMNVSA-N 323.136 4.623 30 20 DJED Cc1cccc(C)c1-c1cccc(OC(=O)C2(C#N)CCCC2)c1 811222674 VTCYEDVSGTUIKU-UHFFFAOYSA-N 319.404 4.960 30 20 DJED CC(=NNc1ccccn1)c1ccc(-c2ccc(F)cc2)s1 863965120 GXCWKLBJLGHZIF-UHFFFAOYSA-N 311.385 4.785 30 20 DJED CCCOc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1 917142512 FYQOCHKTUWUNCB-RMKNXTFCSA-N 302.320 4.650 30 20 DJED CCCCCCCC(=O)O[C@@H](C)c1nnc(-c2cccs2)o1 919222883 JCEWBMDRFNKUBA-LBPRGKRZSA-N 322.430 4.763 30 20 DJED C[C@@H](CC(C)(C)C#N)Nc1cccc(COCc2ccco2)c1 925750830 IKTANWYDQSBDAQ-HNNXBMFYSA-N 312.413 4.737 30 20 DJED N#CCOc1ccc(N[C@H]2CCCc3ccc(Cl)cc32)cc1 1116495972 MCCOTRGNNNGCQT-SFHVURJKSA-N 312.800 4.732 30 20 DJED C[C@@H](SCc1ccc(C#N)cc1)c1nccn1-c1ccccc1 1117542585 RHCALGYXDWQRKP-OAHLLOKOSA-N 319.433 4.738 30 20 DJED C=Cc1ccc(CCNc2nc(C(C)(C)C)ccc2C#N)cc1 1163364943 ZTZWETLOHSAKKH-UHFFFAOYSA-N 305.425 4.548 30 20 DJED CC[C@@H](Cc1cccs1)N[C@@H]1CCCc2cc(C#N)ccc21 1182433889 LFHNNRNRCRNUFP-QFBILLFUSA-N 310.466 4.608 30 20 DJED CC(C)c1ccc2c(c1)[C@H](NCc1cccc(F)c1C#N)CC2 1308708697 GVYJZZWPDMVXFK-HXUWFJFHSA-N 308.400 4.598 30 20 DJED Cc1c(C#N)cccc1NC(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C 1310419278 ZWYFXTAVUQOEPW-RDJZCZTQSA-N 313.445 4.593 30 20 DJED CC(C)Sc1ccc([C@H](C)Nc2cccc(CC#N)n2)cc1 1320490080 JWVIWADHTNYMCK-AWEZNQCLSA-N 311.454 4.821 30 20 DJED Cc1cc(C)c(C#N)c(N[C@H](C)c2cccc(C(F)(F)F)c2)n1 1337008898 NRBLMROHVQGFOZ-GFCCVEGCSA-N 319.330 4.762 30 20 DJED CCC(CC)CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 1355401266 ZQTXSGSXDXYGLY-UHFFFAOYSA-N 323.396 4.510 30 20 DJED CCCC(C)(C)C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 1435266502 YGMUNPDXVDECOB-UHFFFAOYSA-N 323.396 4.510 30 20 DJED CCc1cccc(Oc2c(Br)cccc2C#N)c1 1472638662 KNCCRCAXAISIOQ-UHFFFAOYSA-N 302.171 4.675 30 20 DJED Cc1cccc(CN(CC(C)C)c2ccc(Cl)c(C#N)n2)c1 1472671253 CORROTWBEYZPRS-UHFFFAOYSA-N 313.832 4.578 30 20 DJED CCc1ccc([C@@H]2C[C@@H](C)CCN2c2cccc(F)c2C#N)o1 1472708002 NOUKPAVVFDWXSZ-UGSOOPFHSA-N 312.388 4.830 30 20 DJED CCc1ccc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)cc1CC 1518384901 BIUKIAPMTAASRS-MRXNPFEDSA-N 324.449 4.635 30 20 DJED CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)CC1(C#N)CCCCC1 1528912396 OGSUIEFECLDSCL-SQNIBIBYSA-N 318.505 4.675 30 20 DJED CC(C)CC(CC(C)C)C(=O)Nc1ccc(Cl)cc1C#N 1532392690 KYCCTTNOAZLVNZ-UHFFFAOYSA-N 306.837 4.859 30 20 DJED Cc1cc([C@H](Nc2ccc(Cl)c(C#N)n2)C2CC2)ccc1F 1559144106 YOFNQIBUERNQMQ-QGZVFWFLSA-N 315.779 4.617 30 20 DJED C[C@H]1CC[C@@](C)(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1(C)C 1584096377 WZIBOCSTQASYCC-XQAUZQBESA-N 324.468 4.514 30 20 DJED CCCOc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1C 1595843889 ZUQHAUNJJBWXDL-UHFFFAOYSA-N 314.429 4.587 30 20 DJED CCc1nc(C#N)cc(N[C@H](CC(C)(C)C)c2ccccc2)n1 1639512931 JQFVXTMAEXLPLP-MRXNPFEDSA-N 308.429 4.500 30 20 DJED CC1(C)CN(Cc2ccc(C#N)s2)c2cccc(Cl)c21 1644904447 QMRWCKWVWQLQGZ-UHFFFAOYSA-N 302.830 4.571 30 20 DJED Cc1cc(Oc2cccc(Oc3ccccc3)c2)c(C#N)cn1 1651311850 WTZOIDZMELOUNP-UHFFFAOYSA-N 302.333 4.846 30 20 DJED Cc1ccccc1[C@H](Nc1cc(C#N)cnn1)[C@H]1CCC[C@H](C)C1 1651508535 OSXFJHVBSAOXPC-GZRFBZBPSA-N 320.440 4.636 30 20 DJED CC[C@H](C#N)Sc1nc(C)c(C)n1[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 1651748990 SIZNSUKPUGRGBI-DRRXZNNHSA-N 317.502 4.891 30 20 DJED C[C@@H](Nc1nccc(Oc2cccc(C#N)c2)n1)C1CCCCC1 1651970038 VZJOLBIJMXODJW-CQSZACIVSA-N 322.412 4.521 30 20 DJED C=C(Br)CN1CCC[C@H]1[C@H](CC)c1ccccc1 1652582980 PZNLMDWKEOCBFI-CVEARBPZSA-N 308.263 4.553 30 20 DJED CCc1ccc(C(C)(C)NCc2ccc(C#N)cc2Cl)cc1 1653072167 XFQXLUJQKAMCHR-UHFFFAOYSA-N 312.844 4.799 30 20 DJED N#Cc1ccccc1-c1ccc(CN2CCC3(CCC3)CC2)cc1 1654389153 OVUPPPNYLUTNPU-UHFFFAOYSA-N 316.448 4.991 30 20 DJED CCOc1ccc(SCc2ccc(Cl)cc2C#N)cc1 1656173480 QGSLQHBFADINBR-UHFFFAOYSA-N 303.814 4.903 30 20 DJED COc1ccc(CN[C@@H]2CCC[C@H](C(C)(C)C)CC2)cc1C#N 1662235602 QEXPLOWQFBDVBV-ZWKOTPCHSA-N 314.473 4.651 30 20 DJED Cc1cc(C#N)cc(NCc2ccc(OC(F)F)c(Cl)c2)c1 1662648084 OYYQGZAMLWHGMU-UHFFFAOYSA-N 322.742 4.734 30 20 DJED C=CCc1ccccc1CN[C@@H](CCCCCCC)CC(=O)O 1776188437 OUKRGASXKALIER-IBGZPJMESA-N 317.473 4.709 30 20 DJED C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1cccc2ccccc12 7980845 AFZHYBKUYHOKBN-CYBMUJFWSA-N 317.348 4.793 30 20 DJED C#Cc1cccc(NC(=O)N2CCC[C@H]2c2cccc(Cl)c2)c1 47399791 MOJFABZKORVCJX-SFHVURJKSA-N 324.811 4.690 30 20 DJED C=CCOc1ccc(CN[C@@H](C)c2cc3ccccc3o2)cc1 61027690 ODIOHPACZJEJTN-HNNXBMFYSA-N 307.393 4.848 30 20 DJED O=C1/C(=C/c2ccc3ncccc3c2)CSc2ccccc21 69263106 RZHLEOPXQUOPAW-RVDMUPIBSA-N 303.386 4.607 30 20 DJED Cc1ccccc1[C@@H](NCc1ccc(O[C@H](C)C#N)cc1)C(C)C 69879776 ZHHPTPIVCTVMJI-UTKZUKDTSA-N 322.452 4.773 30 20 DJED Cc1[nH]c2ccccc2c1C1CCN(CC(C)(C)CCC#N)CC1 92191923 JMNLDAVNYLJQCS-UHFFFAOYSA-N 323.484 4.986 30 20 DJED CC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(F)cc1F 174358143 UZUBHWHWMOXUAD-KZULUSFZSA-N 300.352 4.638 30 20 DJED CCCCCCCCC(=O)Nc1ccccc1O[C@H](C)C#N 182149166 CPMLBIZDVPODPU-OAHLLOKOSA-N 302.418 4.667 30 20 DJED C[C@@H](N[C@H](C)c1ccccc1OC(F)F)c1ccc(C#N)cc1 268808238 MYZAPFTVAGSQEC-CHWSQXEVSA-N 316.351 4.571 30 20 DJED C[C@H](NCCCCC(C)(C)C#N)c1cccc(OC(F)F)c1 278634769 GQTKKAUKGIUCKE-ZDUSSCGKSA-N 310.388 4.659 30 20 DJED N#Cc1ccc(NCc2cc3ccccc3[nH]2)c(C(F)(F)F)c1 301352158 WMIPQUIRPAIYKN-UHFFFAOYSA-N 315.298 4.670 30 20 DJED CCCn1ccc2ccc(N=C(O)[C@H]3CCC(=O)[C@@H](C)C3)cc21 328905030 JTLXOVWNYAMLIO-ZFWWWQNUSA-N 312.413 4.645 30 20 DJED C=CCC[C@@H](NC(=O)c1nc(C(C)C)oc1C)c1ccccc1 354209301 SYUBANRWZFIOTO-MRXNPFEDSA-N 312.413 4.544 30 20 DJED C[C@@H](C#N)N(Cc1ccsc1)Cc1cccc(C(F)(F)F)c1 425366716 QNELVGAMJWLCKT-LBPRGKRZSA-N 324.371 4.681 30 20 DJED C=CCc1cc(C)cc(OC)c1OCc1nc(C2CC2)cs1 438331046 WTBWXYMTDRSMEX-UHFFFAOYSA-N 315.438 4.645 30 20 DJED C=CCCO[C@@H](C)c1nc(-c2ccc(Cl)cc2Cl)no1 445465559 ZXTSIPBOVYAOBP-VIFPVBQESA-N 313.184 4.697 30 20 DJED N#CCc1ccc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)c(Cl)c1 452645163 NOPVRVUBSUMRGL-CABCVRRESA-N 316.832 4.561 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1 471474596 CLHBNUQODGOBKF-QGZVFWFLSA-N 308.425 4.536 30 20 DJED C=CC[C@@H](C(=O)N[C@@H](CC)c1ccc(OC)cc1)c1ccccc1 487777757 RALKKVNNPUDFCA-UXHICEINSA-N 323.436 4.622 30 20 DJED C[C@@H](N[C@H](CC(C)(C)C)C(F)(F)F)c1ccc(C#N)c(F)c1 495391664 QZOFIIHAUDHUQM-QMTHXVAHSA-N 316.342 4.715 30 20 DJED N#CCc1ccc(CSc2nc3ccc(Cl)cc3[nH]2)cc1 543123204 FCGMOVSAWQWMSP-UHFFFAOYSA-N 313.813 4.575 30 20 DJED C=C[C@@H](CC(=O)N1CC[C@H](c2ccccc2F)C1)c1ccccc1 556034975 WQWJYHSOSSUZNS-WMZOPIPTSA-N 323.411 4.502 30 20 DJED CCCOc1ccc(CN[C@@H](CC)c2ccc(C#N)cc2)c(C)c1 564774549 TTZMHBNSKZGWRW-NRFANRHFSA-N 322.452 4.896 30 20 DJED CC(C)(C)c1ccc(C(=O)N(CCC#N)c2ccc(F)cc2)cc1 571111227 HRHZDYVRTWJBAP-UHFFFAOYSA-N 324.399 4.684 30 20 DJED C[C@@H](Nc1ncc(C#N)cc1Cl)c1nc(C(C)(C)C)cs1 579265494 MBXLXKUXDZVQSY-SECBINFHSA-N 320.849 4.534 30 20 DJED C=C(C)CCc1noc(-c2nc(C)sc2-c2ccccc2)n1 580003712 JDBAPAQKFNHLSV-UHFFFAOYSA-N 311.410 4.677 30 20 DJED N#CCCCCCC(=O)N(Cc1ccccc1F)c1ccccc1 588856022 OOABZBHXYUUOAB-UHFFFAOYSA-N 324.399 4.833 30 20 DJED CC[C@@H](C#N)c1ccc(-c2ccccc2OC[C@@H]2CCOC2)cc1 592987190 WPIAGHFRKINNGY-SJORKVTESA-N 321.420 4.786 30 20 DJED Cc1ccccc1-c1noc([C@@H](C)SCC2(CC#N)CC2)n1 596345852 MTECFZDFPPMEPR-CYBMUJFWSA-N 313.426 4.533 30 20 DJED N#CC[C@@H](CC(=O)N1CC[C@@H](C2CCCCC2)C1)c1ccccc1 598154068 SRZWLCUQMCZFFS-VQTJNVASSA-N 324.468 4.503 30 20 DJED C=CCn1c(SCCC2CCCC2)nnc1-c1ccoc1C 607436631 UHTOJQIYGXNLCS-UHFFFAOYSA-N 317.458 4.705 30 20 DJED C=CCCCS[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 609803821 AICYODLGNYJRHJ-GFCCVEGCSA-N 306.406 4.945 30 20 DJED CC(C)C[C@@H](C#N)NC(=O)c1ccccc1Sc1ccccc1 611251036 MQYIUPDGOVKLEU-HNNXBMFYSA-N 324.449 4.506 30 20 DJED Cc1cccc2c1CC[C@H]2Nc1cccc(OCCCC#N)c1 611468496 ZPFNZUADDJWEMO-HXUWFJFHSA-N 306.409 4.777 30 20 DJED CCC[C@H](CC1CCCCC1)C(=O)N1CCC[C@](C)(C#N)C1 612368863 OFLYJYDULLIOFE-IEBWSBKVSA-N 304.478 4.525 30 20 DJED C[C@@H](OC(=O)/C=C/c1ccc(Cl)s1)c1cccc(C#N)c1 727640123 BWAPUZOJRBXFOV-LXSSAFMLSA-N 317.797 4.591 30 20 DJED C#Cc1cccc(N(CC)C(=O)c2oc3c(C)cccc3c2C)c1 728480126 FJGVKMNFXNLSIQ-UHFFFAOYSA-N 317.388 4.698 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccc(OC(F)F)c(Cl)c2)o1 731489307 CGDDWXWHZDBIJC-HWKANZROSA-N 312.699 4.739 30 20 DJED O=C(/C=C\c1ccc(-c2ccccc2F)o1)c1cncc(F)c1 737445655 CVUQGMNOASIPIV-ALCCZGGFSA-N 311.287 4.516 30 20 DJED C/C(C=NNc1cccc(C(F)(F)F)n1)=C\c1ccccc1 739426492 MSVAQGSJKAQCBO-LZMWDKRLSA-N 305.303 4.602 30 20 DJED Cc1cccn2c(/C=C\C(=O)c3ccc(C(C)C)cc3)cnc12 741471953 RGSUBQHVMXZQSM-KHPPLWFESA-N 304.393 4.662 30 20 DJED Cc1nc(Cl)cc(NN=Cc2ccccc2-c2ccccc2)n1 741763971 MSKHONABZGDSPQ-UHFFFAOYSA-N 322.799 4.551 30 20 DJED N#Cc1ccc(/C=C2\CSc3ccc(Cl)cc3C2=O)s1 748997621 FYHHGMFLQQNCHU-WEVVVXLNSA-N 317.822 4.645 30 20 DJED CC(=NOCC(F)(F)F)c1ccc2c(c1)Cc1ccccc1-2 764838886 FBJJIXSSPKOFHC-UHFFFAOYSA-N 305.299 4.561 30 20 DJED Cc1nc(C2CCCCC2)sc1C(=O)O[C@H](C#N)C(C)(C)C 765629600 GTQPNZZWGQZROS-CYBMUJFWSA-N 320.458 4.594 30 20 DJED CC(C)(C#N)CCCCOC(=O)c1c[nH]cc1-c1ccccc1 768591502 BNFVBKUHQNJDEM-UHFFFAOYSA-N 310.397 4.559 30 20 DJED CCCCC[C@H](CC)C(=O)N[C@@H](CCC#N)c1ccccc1 775781403 BMKKQDHVQGPIIX-WMZOPIPTSA-N 300.446 4.754 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2ccc(Cl)s2)c(Cl)c1 788361309 ZFOSUIOPAJWWBD-GORDUTHDSA-N 308.189 4.823 30 20 DJED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCC3CC3)n2)cc1 813060969 QGSXGEKNMZUXKL-INIZCTEOSA-N 324.449 4.875 30 20 DJED CC[C@H](CC#N)NC(=O)Nc1ccc(SC(C)(C)C)c(F)c1 836719802 ZJTOCNGRQGNNDM-LLVKDONJSA-N 323.437 4.530 30 20 DJED C[C@H](CCC#N)CNc1ccc(CC[C@H](O)c2ccccc2)cc1 876859091 BLKWDKMTQCRHMO-UTKZUKDTSA-N 322.452 4.705 30 20 DJED CCCCCCCCC(=O)N[C@@H](C)c1cccc(NC(C)=O)c1 913502542 SEXQYKFUOHWTMC-HNNXBMFYSA-N 318.461 4.573 30 20 DJED CCC(CC)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915354088 UZKONIILRFANNQ-LJQANCHMSA-N 321.424 4.652 30 20 DJED C[C@@H]1CCCC[C@H]1OCC/N=C\c1c(O)ccc2ccccc12 915979783 SOVGDSLQMMVFPJ-GMGZCJBDSA-N 311.425 4.560 30 20 DJED Cc1ccc([C@H]2CCC[C@@H]2Nc2ccc(OCC#N)cc2)cc1 1116639410 MBYDRDFRSKRDBG-UXHICEINSA-N 306.409 4.646 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CC[C@H](CC)CC1 1136839118 YODGKQNBJCTXBJ-KOMQPUFPSA-N 313.445 4.535 30 20 DJED Cc1c(Cl)cnc(N(C)[C@@H]2CCC[C@@H]2C(C)(C)C)c1C#N 1163531141 OKQHDCHENOCLPS-DZGCQCFKSA-N 305.853 4.566 30 20 DJED CC[C@H](C)[C@@H]1CCCCN1c1ccc(C#N)c(Br)c1 1185978017 CRZNHWRZDVMAKP-LRDDRELGSA-N 321.262 4.726 30 20 DJED CC1(C)CC(C)(C)c2cc(Nc3ncc(C#N)cc3F)ccc21 1185988375 YGJNNQHCJLHXQU-UHFFFAOYSA-N 309.388 4.795 30 20 DJED CC(C)[C@@H]1CCC[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 1197131981 IHKIWSAPHQQTEF-OCCSQVGLSA-N 319.836 4.548 30 20 DJED C[C@@H](OC(=O)c1ccc(-c2ccco2)s1)c1cccc(C#N)c1 1266018485 AIZPHGPXVACKSE-GFCCVEGCSA-N 323.373 4.798 30 20 DJED C[C@H](NCc1ccc(C#N)cc1Cl)C(C)(C)c1ccccc1 1307643413 PASSJHRGRXCLFL-AWEZNQCLSA-N 312.844 4.668 30 20 DJED C[C@@H](CCC1CCCCC1)NC(=O)Nc1ccc(F)cc1C#N 1310386703 YORRGLSQFFYEHL-ZDUSSCGKSA-N 317.408 4.568 30 20 DJED Cc1sc(NC(=O)[C@H]2CCC[C@@H]2c2ccccc2)c(C#N)c1C 1347708361 CILCKBGNIBHHQI-CVEARBPZSA-N 324.449 4.759 30 20 DJED CCCCC[C@H](CC)c1nnc(COc2ccccc2C#N)o1 1349921052 DUXOSWAKPKQWIY-AWEZNQCLSA-N 313.401 4.594 30 20 DJED CC(C)(C(=O)Nc1ccc(Cl)c(C#N)c1)C1CCCCC1 1354059922 VOXZHPRLSVVOJR-UHFFFAOYSA-N 304.821 4.757 30 20 DJED CC[C@@H](C)c1ccc(C(=O)Nc2ccc(C#N)cc2Cl)cc1 1435513562 OHLUZOADUYHLJP-GFCCVEGCSA-N 312.800 4.977 30 20 DJED CCc1ccc(C(C)(C)CNc2nc(C#N)c(Cl)s2)cc1 1458218118 DFMOEJJZKJIXCV-UHFFFAOYSA-N 319.861 4.620 30 20 DJED N#Cc1cccc(Sc2ncnc3sc4c(c23)CCCC4)c1 1458238409 UYNZFLSVXBBBBL-UHFFFAOYSA-N 323.446 4.593 30 20 DJED C[C@H](Nc1ccccc1O[C@H](C)C#N)c1nccc2ccccc12 1461989302 QIRIQQWTEJOCLL-CABCVRRESA-N 317.392 4.699 30 20 DJED CC[C@H](C)N(CC)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1470062812 OOCYPSDUBVVVGT-HNNXBMFYSA-N 321.424 4.562 30 20 DJED N#Cc1c(COc2cc(Cl)cc(Cl)c2)cn2ccccc12 1472916698 MGVADJBAZKFMCY-UHFFFAOYSA-N 317.175 4.697 30 20 DJED CC1(C)C[C@@H](c2ccccc2)N(C(=O)Nc2cccc(C#N)c2)C1 1475917202 SJADFWNURMRHTG-SFHVURJKSA-N 319.408 4.563 30 20 DJED Cc1cccc(C2(C(=O)Nc3cc(C#N)ccc3C)CCCC2)c1 1524610769 RHHZOZLNYRJTJF-UHFFFAOYSA-N 318.420 4.626 30 20 DJED CC[C@H](C(=O)N[C@@H]1CCc2cc(C#N)ccc21)C1CCC(C)CC1 1531332916 LSMJQZXQTCVAGD-GGXSUZLTSA-N 324.468 4.514 30 20 DJED Cc1nc(C#N)cc(N[C@@H](c2ccc(C(C)C)cc2)C(C)C)n1 1611741765 DAUVEUMATCUMOZ-LJQANCHMSA-N 308.429 4.589 30 20 DJED CC(C)Oc1ccc2ccccc2c1CN(C[C@@H](C)C#N)C1CC1 1616880933 PXJVUJAMGUIXJH-INIZCTEOSA-N 322.452 4.751 30 20 DJED CCc1ccccc1CSc1nc2c(c(C)c1C#N)CCC2 1643546954 YZUMIWKWQLOXJH-UHFFFAOYSA-N 308.450 4.605 30 20 DJED C[C@H](CC(C)(C)c1ccccc1)Nc1c(C#N)cccc1C#N 1650699969 KYBGIKMZRLJDHR-OAHLLOKOSA-N 303.409 4.598 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)CCCc1ccc(Cl)cc1 1653972504 HTRXDVSVACBZRZ-HNNXBMFYSA-N 312.844 4.837 30 20 DJED CC[C@H](c1ccccc1)N(CCOc1ccccc1C#N)C(C)C 1655158112 ZNFQSZSWSSMZNT-HXUWFJFHSA-N 322.452 4.799 30 20 DJED CCSCc1ccc(Nc2nc(C)c(C#N)cc2Cl)cc1 1655483753 GBFZSSGIRIVLAQ-UHFFFAOYSA-N 317.845 4.912 30 20 DJED Cc1ccoc1CNc1ccc(Oc2ccccc2)c(C#N)c1 1657502128 QARQYOIWQGYKCY-UHFFFAOYSA-N 304.349 4.864 30 20 DJED CC[C@H](NCc1ccc(CC#N)cc1)C(C)(C)c1ccccc1 1657957067 NRMCPILKPUKRQM-FQEVSTJZSA-N 306.453 4.599 30 20 DJED CC(=O)Nc1ccc(/C=C/C(=O)c2oc3ccccc3c2C)cc1 26763333 FJVQZHMRNJOSDH-FMIVXFBMSA-N 319.360 4.596 30 20 DJED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccs2)cc1 47509122 ANIGTRXKDDBRNO-UHFFFAOYSA-N 320.373 4.664 30 20 DJED C[C@@H](C#N)CSc1ccccc1N[C@H](C#N)C1CCCCC1 115606246 DGOLDPGAWFQULW-WMLDXEAASA-N 313.470 4.823 30 20 DJED C[C@@H](Nc1ccc(F)c(Br)c1)c1ccc(C#N)cc1 135377249 XQAPXWIIDZYGRK-SNVBAGLBSA-N 319.177 4.633 30 20 DJED CCC(C)(CC)C(=O)Nc1ccccc1SC[C@@H](C)C#N 159172763 YHVVQESWUNOIII-ZDUSSCGKSA-N 304.459 4.703 30 20 DJED C=C[C@@H](CC(=O)Nc1cc(OC)ccc1Cl)c1ccccc1 160309212 VSEDBRVUPZTKFW-ZDUSSCGKSA-N 315.800 4.647 30 20 DJED CC(C)OCc1ccc(N[C@H](C)c2ccc(OCC#N)cc2)cc1 180172252 VWFVPXFXDBKREB-MRXNPFEDSA-N 324.424 4.687 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@H]1C=CCCC1 187771141 XYKKFFHJEMJCBA-GJZGRUSLSA-N 314.454 4.623 30 20 DJED C[C@H]1CCC[C@H](N(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 193045814 YWXBKHBSDQZTEI-YOEHRIQHSA-N 313.445 4.530 30 20 DJED CS[C@H]1CCC[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 227359809 GFIKYIXVHUIFRB-YPMHNXCESA-N 314.376 4.663 30 20 DJED O=C(/C=C\c1ccc(OCc2ccncc2)cc1)c1ccsc1 255012353 ATIXKXCPFUJGEP-UTCJRWHESA-N 321.401 4.618 30 20 DJED O/C(CCc1nc2ccccc2o1)=N/[C@@H]1C[C@@H]1C1CCCCC1 329646808 DRELMARLTFCPJF-GDBMZVCRSA-N 312.413 4.686 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCc1ccc(CC#N)cc1 342428343 GONHWGSSHIZHDG-OAHLLOKOSA-N 321.449 4.759 30 20 DJED C=CCOc1ccc(CNCc2ccccc2C(F)(F)F)cc1 393381300 JLWBDDKNBVPRMV-UHFFFAOYSA-N 321.342 4.560 30 20 DJED N#CC1(CSCc2cc(-c3ccc(Cl)cc3)no2)CCC1 419381499 YFSJBNYCRVLGHL-UHFFFAOYSA-N 318.829 4.922 30 20 DJED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CC)c1cccc(Cl)c1F 436293850 DWCFSJHBBFQCMY-NUTKFTJISA-N 311.828 4.501 30 20 DJED N#C[C@H]1CC[C@H](Nc2cc(Cl)ccc2OCC2CCC2)C1 442869564 BWNKIIYHHKMYFS-ZFWWWQNUSA-N 304.821 4.623 30 20 DJED C[C@H](CNCc1cc(C#N)cs1)c1ccc(C(F)(F)F)cc1 443002378 UDUHZPSSXKSKDT-LLVKDONJSA-N 324.371 4.532 30 20 DJED CC[C@@H](NC[C@H]1SCCc2ccccc21)c1ccc(C#N)cc1 447582122 YAQSFBKQQABJGK-WOJBJXKFSA-N 322.477 4.630 30 20 DJED C[C@@H](Nc1cccc(CC#N)c1)C1CCC(C(F)(F)F)CC1 449692487 BMJGIVMOZGVXIF-LRVUVFPRSA-N 310.363 4.922 30 20 DJED C=CCCN[C@H](c1cccc(OC)c1)c1ccccc1Cl 462233978 FFRQZOYXBNFRCO-GOSISDBHSA-N 301.817 4.604 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(OC(C)C)cc1Cl 474408447 GCOBASHCKVUEFA-UHFFFAOYSA-N 307.821 4.834 30 20 DJED C=C(C)COc1cccc(NC(=O)c2scc(C)c2Cl)c1 480035732 CYSMQVXOMBUDET-UHFFFAOYSA-N 321.829 4.917 30 20 DJED C=CCSc1ccccc1C(=O)N1CC[C@@H](c2ccccc2)C1 485455312 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C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)C1CCCC1 610522689 KYXJCLWATRYTKC-KBPBESRZSA-N 316.470 4.846 30 20 DJED C=CCC[C@H](NC(=O)CCCF)c1ccc(C(F)(F)F)cc1 612803503 SNIJCZIBZIQZKQ-AWEZNQCLSA-N 317.326 4.579 30 20 DJED C#Cc1cccc(NC(=S)N(CC)[C@@H](CC)c2ccccc2)c1 726484832 SLFAJHPCHVHZRC-IBGZPJMESA-N 322.477 4.838 30 20 DJED CCc1ccc(C=NOCc2ncc(-c3ccc(F)cc3)o2)cc1 727465631 NEYHMXHQKFHJDT-UHFFFAOYSA-N 324.355 4.594 30 20 DJED COc1cc(C)c(C(=O)/C=C/C(C)=C\c2ccccc2)cc1OC 731317659 CJHXOSGQNWJCEO-JWIYKGGMSA-N 322.404 4.855 30 20 DJED CC(CCc1ccccc1[N+](=O)[O-])=NNc1ccc(Cl)cc1 741451548 RJFRUQWQRDAWPH-UHFFFAOYSA-N 317.776 4.669 30 20 DJED COCc1ccc(/C=C2/COc3ccc(C(C)C)cc3C2=O)cc1 741843656 MERFBCLAORRCHU-ZDLGFXPLSA-N 322.404 4.615 30 20 DJED CC[C@@H](C#N)Oc1cccc(CNC2CCC(C(C)C)CC2)c1 742371488 ZQMGRDBTKAPKQU-ACBHZAAOSA-N 314.473 4.672 30 20 DJED CCc1ccc(C(=O)/C=C\c2cc(Cl)c(O)c(OC)c2)s1 747200370 GCEZZTPASIEMRQ-XQRVVYSFSA-N 322.813 4.574 30 20 DJED CC[C@H](C)Oc1cc(/C=C\C(=O)c2cccs2)ccc1OC 749453444 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4.706 30 20 DJED N#Cc1csc(CNCc2ccc(-c3cccs3)cc2)c1 1474202135 GCQMUKXQAZERQW-UHFFFAOYSA-N 310.447 4.638 30 20 DJED CCN(C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccc(C#N)cc1 1523019516 LSODYLXGKDPABH-FGTMMUONSA-N 310.441 4.518 30 20 DJED CN(Cc1cccc(Cl)c1Cl)[C@H](C#N)c1ccccc1 1559630191 IRGKJTLDYIELCA-OAHLLOKOSA-N 305.208 4.690 30 20 DJED Cc1cc(CN(C)[C@H](C)c2cccc(C#N)c2)c2ccccc2n1 1559930742 GHEDIAYQDHDARB-MRXNPFEDSA-N 315.420 4.608 30 20 DJED C[C@@H](CC(C)(C)C#N)NC[C@H](C)c1ccc(C(F)(F)F)cc1 1560762731 RUGOGDHXFFTKBS-STQMWFEESA-N 312.379 4.727 30 20 DJED Cc1cc(C)cc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1 1595897916 UOVVUONTGSEMTD-UHFFFAOYSA-N 312.438 4.786 30 20 DJED C[C@H](CN(C)C(=O)c1ccc(Cl)c(C#N)c1)C1CCCCC1 1596471173 BOJPGGNNLJJSAY-CYBMUJFWSA-N 318.848 4.500 30 20 DJED C=C(Br)CN(C)[C@H](C)c1ccc(Cl)c(Cl)c1 1615308622 PQXPNNQOTJRJIA-SECBINFHSA-N 323.061 4.895 30 20 DJED COc1ccc(C#N)cc1CN1CCCCC[C@H]1c1ccccc1 1615363903 YZEUBCDZBMKLFD-FQEVSTJZSA-N 320.436 4.684 30 20 DJED COc1ccc(C)cc1CSc1ccc(Cl)cc1C#N 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322.330 4.868 30 20 DJED C=CCN(Cc1ccccc1)C(=O)C[C@@H](C)c1cccc(F)c1 523813352 SQVNUWJYKNIDSS-MRXNPFEDSA-N 311.400 4.534 30 20 DJED N#Cc1ccc2nc(N3CCC[C@@H]3c3ccc(F)cc3)ccc2c1 538979181 MBVQTESIVRCCBB-LJQANCHMSA-N 317.367 4.587 30 20 DJED CCC(CC)SCC(=O)N(CCC#N)c1cccc(Cl)c1 553184001 SINPOMLAKFTHDE-UHFFFAOYSA-N 324.877 4.508 30 20 DJED CCc1c([C@H](C)NCc2ccc(C#N)s2)oc2ccccc12 573946341 YKNRHPFCVQHVGV-LBPRGKRZSA-N 310.422 4.779 30 20 DJED Cc1cccc(CN(Cc2ccco2)C(=O)CCCCCC#N)c1 588278905 ZVRMZMVPNJSUTI-UHFFFAOYSA-N 324.424 4.591 30 20 DJED CS[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2C(F)(F)F)C1 609964221 XVILNQFAYLJNIV-NWDGAFQWSA-N 314.376 4.663 30 20 DJED CC(C)C[C@@H](C(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 610363514 XVGYZSIXJFZFIY-OXJNMPFZSA-N 320.436 4.565 30 20 DJED COc1cccc(/C=C2/CSc3c(Cl)cccc3C2=O)c1 731939924 XLDSLOAMDOOLEN-WQLSENKSSA-N 316.809 4.721 30 20 DJED Cc1ccc(-c2ccc(C(=O)O[C@H](C)CC#N)c(F)c2)cc1C 733708115 LMTVLJKJFNRCST-CQSZACIVSA-N 311.356 4.569 30 20 DJED O=C(/C=C/c1nccc2ccccc12)c1ccc(F)c(Cl)c1 740765171 RJANXOGSVQBINH-BQYQJAHWSA-N 311.743 4.923 30 20 DJED Cc1cc(/C=C2/Cc3ccccc3C2=O)c(OC(F)F)cc1C 742429418 QIPMKMITJHICDN-GDNBJRDFSA-N 314.331 4.727 30 20 DJED Cc1noc(C)c1/C=C\C(=O)c1cccc(-c2ccccc2)c1 746345790 KIXAXNDAAXNDSC-QXMHVHEDSA-N 303.361 4.855 30 20 DJED O=C(/C=C/c1cc(F)cc(F)c1)c1ccc(-c2ccncc2)cc1 755600933 LDLNVOUTPQKUJK-LZCJLJQNSA-N 321.326 4.923 30 20 DJED CC(C)=C(C)C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 757365782 VVWOXTROFDWTRK-UHFFFAOYSA-N 322.433 4.680 30 20 DJED O=C(/C=C/c1ccc(OCC(F)(F)F)cc1)c1ccccc1F 757475324 RNZMSKCVTQIVEH-JXMROGBWSA-N 324.273 4.663 30 20 DJED CSc1ccc2c(c1)CC/C(=C/c1nc(Cl)cs1)C2=O 759086152 ZYXXMKVIBHHWEC-YFHOEESVSA-N 321.854 4.731 30 20 DJED O=C(/C=C\c1ccc(F)cc1)c1ccc(Br)cc1F 767738326 UCIKWTBZHWXDII-BAQGIRSFSA-N 323.136 4.623 30 20 DJED C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)c2ccc[nH]2)cc1 773114951 DKTDNFRPMRQOBN-KBPBESRZSA-N 304.821 4.558 30 20 DJED C[C@@H](NCc1ccc(SC(F)F)cc1)c1cccc(C#N)c1 775336042 XZFUYVQWYGEBDN-GFCCVEGCSA-N 318.392 4.724 30 20 DJED CC/C(C)=C(\C)C(=O)Nc1sc(-c2ccccc2)cc1C#N 779857903 QBVQKVOIKHWOOE-OUKQBFOZSA-N 310.422 4.972 30 20 DJED O=C(/C=C/c1cc(Cl)cc(C(F)(F)F)c1)c1cccnc1 780176760 RSSAKCZXPIZVAP-ONEGZZNKSA-N 311.690 4.650 30 20 DJED CCc1cccc2c(/C=C/C(=O)c3ccnc(Cl)c3)c[nH]c12 782192709 ARCGULNIQFDWKN-VOTSOKGWSA-N 310.784 4.675 30 20 DJED C/C=C(/CC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 789633616 POIYPWNJXFMLPC-CQPUUCJISA-N 306.365 4.645 30 20 DJED CC(/C=C\C(=O)c1cc(C)c(C)o1)=C\c1cccc([N+](=O)[O-])c1 799896689 XWAWYAYJODBUPO-HVTAIUIQSA-N 311.337 4.647 30 20 DJED C=CCC(F)(F)C(=O)N1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 815667287 DQTIZEBHQWJDOW-GOEBONIOSA-N 307.384 4.506 30 20 DJED CCc1ccc(C=NOCc2cc(-c3ccc(C)cc3)no2)cc1 915213287 XCAXYKXWIFFGDH-UHFFFAOYSA-N 320.392 4.763 30 20 DJED CCc1cccc2c1N(Cc1ccccc1C(C)(C)C#N)CC2 1307551992 DNIYYMOLTNKYJL-UHFFFAOYSA-N 304.437 4.613 30 20 DJED CCN(CC#N)[C@@H](C)c1ncc(-c2ccc(Cl)c(Cl)c2)o1 1327312148 IFDSSFIHYSYJDG-JTQLQIEISA-N 324.211 4.555 30 20 DJED CCN(C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1)[C@H](C)c1ccc(C#N)cc1 1354057769 BLMRVXOWGDBGIC-YIOZNXECSA-N 312.457 4.540 30 20 DJED CCC(CC)CN(CCC#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 1443565396 WKYZVQOAPXFZMQ-IPMKNSEASA-N 318.505 4.771 30 20 DJED CC1(C)CCCC[C@H]1CC(=O)Nc1ccc(Cl)cc1C#N 1461553608 XUMPYXCFFNLMPF-ZDUSSCGKSA-N 304.821 4.757 30 20 DJED Cc1cc(C#N)cc(NC(=O)N[C@@H](c2ccccc2)C2CCC2)c1 1476739713 NYSVNDXSVSYHHK-IBGZPJMESA-N 319.408 4.530 30 20 DJED CCCCN(Cc1ccc(C#N)c(OC)c1)[C@@H](C)c1ccccc1 1560678152 VJHMYLLTFFPMBM-KRWDZBQOSA-N 322.452 4.930 30 20 DJED CC1(C)CCC(C(=O)N(c2cccc(C#N)c2)C2CCC2)CC1 1587314380 OHIXMUOZHSYLNC-UHFFFAOYSA-N 310.441 4.660 30 20 DJED Cc1c(Cl)cnc(N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1C#N 1642637470 GULFGWLBWPZSCL-SWLSCSKDSA-N 318.207 4.537 30 20 DJED CCc1ccc([C@@H]2CCCCCN2Cc2ccc(C#N)s2)o1 1644660591 BDZGEVRYZGNXFI-KRWDZBQOSA-N 314.454 4.892 30 20 DJED C=C(Cl)CN1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 1644746803 PMRZKOZNEHPEBP-GFCCVEGCSA-N 320.647 4.589 30 20 DJED CC(C)c1ccc2ncnc(Sc3ccc(C#N)cc3F)c2c1 1651538643 BAXIMZPYSNTTBD-UHFFFAOYSA-N 323.396 4.915 30 20 DJED C[C@@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)C(C)(C)C1 1655461227 YGOOBPWRLNVELC-INIZCTEOSA-N 304.437 4.846 30 20 DJED C[C@@]1(c2ccccc2)CC[C@H](NC2(c3cccc(C#N)c3)CC2)C1 1658081165 GICRMNXHEFCWIM-LEWJYISDSA-N 316.448 4.647 30 20 DJED Cc1ccc(CC(C)(C)NCc2ccc(C#N)cc2Cl)cc1 1659065143 VYKSARAKSVWTRS-UHFFFAOYSA-N 312.844 4.631 30 20 DJED CCN(CCC#N)Cc1ccccc1Oc1ccc(C)cc1OC 1659322053 ROHWHWOTGHGOAJ-UHFFFAOYSA-N 324.424 4.532 30 20 DJED CC[C@@H](CCc1ccccc1)NC1CC(C#N)(c2ccccc2)C1 1659660600 NWPUSDFBGWAZCR-HWELCPFYSA-N 318.464 4.611 30 20 DJED Cc1cccc([C@H](NC(=O)Nc2ccc(C#N)cc2)C(C)(C)C)c1 1666945776 DLTQOEOBYIQZQZ-SFHVURJKSA-N 321.424 4.776 30 20 DJED CC(/C=C\C(=O)c1cc(C(=O)O)ccc1C)=C\c1ccccc1 1776399047 TWQPGLWZDFTNIR-RIUSXJRMSA-N 306.361 4.536 30 20 DJED CCCCCCC[C@H](CC(=O)O)NC/C(C)=C\c1ccccc1 1776782336 JSOLJFQXUVXJLJ-RBAUTDOXSA-N 317.473 4.883 30 20 DJED CCCCCCCCCCCN(C)[C@@H](C(=O)O)c1cccnc1 1776784589 MAWOEWFBBGJQEI-GOSISDBHSA-N 320.477 4.670 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccccc2C)n1 10399629 QGXCAWJJIYCIJA-UHFFFAOYSA-N 322.355 4.881 30 20 DJED C[C@H](Nc1ccc(CC#N)cc1)c1ccccc1Br 37071451 GETLZGMOLSRXEK-LBPRGKRZSA-N 315.214 4.688 30 20 DJED C[C@H](C(=O)Nc1sccc1C#N)c1ccc2ccccc2c1 84515804 MFJILRFJZYPIRO-LBPRGKRZSA-N 306.390 4.515 30 20 DJED C[C@@H](NCc1cc(C#N)ccc1F)c1ccccc1C(F)(F)F 90117344 NDRVNXKZSFCDQB-LLVKDONJSA-N 322.305 4.567 30 20 DJED Cc1ccccc1-c1nnc(S[C@@H](C)c2ccc(C#N)cc2)o1 118171254 ALKFAMKAOUNHLQ-ZDUSSCGKSA-N 321.405 4.770 30 20 DJED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C=C1CCC1 126918751 WUXJADAUNSYTEG-UHFFFAOYSA-N 318.376 4.708 30 20 DJED Cc1csc(CSCc2ccccc2C(C)(C)C#N)n1 134094586 BVDUVTNSFRJCAH-UHFFFAOYSA-N 302.468 4.686 30 20 DJED N#Cc1ccc(CNc2cccc(N3CCCCCC3)c2)s1 151496048 DPIZTWBDTFWNBE-UHFFFAOYSA-N 311.454 4.612 30 20 DJED CC(C)(C#N)CCCSCc1cc(-c2ccccc2)no1 161243525 MDCSAJFTCMCVCN-UHFFFAOYSA-N 300.427 4.905 30 20 DJED C[C@H]1C[C@H](C(O)=Nc2cccc(NC3CCCC3)c2)CCC1=O 328957571 OCPHWLJVCCOBJN-UONOGXRCSA-N 314.429 4.634 30 20 DJED CC[C@@H](NCc1c(F)cccc1SC)c1ccc(C#N)cc1 353910081 FJNRDCUDOZFMRF-QGZVFWFLSA-N 314.429 4.660 30 20 DJED N#CC1(CCCN2CCC[C@@H]2CCC2CCCC2)CCOCC1 410412467 BVCMQTRSRWNXHL-LJQANCHMSA-N 318.505 4.522 30 20 DJED N#C[C@H]1CC[C@@H](Nc2cc(C(F)F)nc3ccc(Cl)cc23)C1 425277528 XQHSTCUBBDBACN-GXSJLCMTSA-N 321.758 4.930 30 20 DJED C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)Cc1cccs1 425366738 QTDAEXPICTYXOR-GFCCVEGCSA-N 324.371 4.681 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1cnn(CCC(C)C)c1C(C)C 439413534 SXMVSYRJSUISCE-OAHLLOKOSA-N 320.481 4.529 30 20 DJED CCc1ccc(NC(=O)CS[C@@H](C)c2cccc(C#N)c2)cc1 443159943 NADVMDRGYYWGPD-AWEZNQCLSA-N 324.449 4.554 30 20 DJED Cc1ccccc1[C@H](CC(F)(F)F)NCc1ccc(C#N)s1 444008493 GNRUUVXULLRKCT-HNNXBMFYSA-N 324.371 4.712 30 20 DJED CC[C@@H](N[C@@H]1CCCOc2c(F)cccc21)c1ccc(C#N)cc1 447592961 OYZNZWIZUVVYCK-RTBURBONSA-N 324.399 4.652 30 20 DJED C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)CCCSCC#N 466744133 CIDQFMMYLGMADA-KRWDZBQOSA-N 324.493 4.993 30 20 DJED C=C[C@](C)(CC)C(=O)N[C@H](C)c1cc2cccc(OCC)c2o1 467264399 NCWBFNBNSKVMME-BFUOFWGJSA-N 315.413 4.611 30 20 DJED CCC[C@H](Cc1ccccc1)N(CCC)C(=O)CC(C)(C)C#N 469190519 MATTVZOEWXFKAZ-GOSISDBHSA-N 314.473 4.576 30 20 DJED CCCCC[C@@H]1CCCN1C(=O)C[C@H](CC#N)c1ccccc1 476386992 QKVQHVLNDVTNCJ-RBUKOAKNSA-N 312.457 4.645 30 20 DJED C=CCSc1ccccc1C(=O)Nc1cc(F)c(F)c(F)c1 485467880 REZAWXIJVLEQPP-UHFFFAOYSA-N 323.339 4.634 30 20 DJED CC(C)(C)[C@@H]1C[C@@H](N[C@@H](CCC#N)c2ccccc2)CS1 488440735 QQVCGYGADRJGQV-IKGGRYGDSA-N 302.487 4.541 30 20 DJED C=CCC(C)(C)CNC(=O)c1ccc(C)c(Oc2ccncc2)c1 490057427 HEMOVOFYLQECMT-UHFFFAOYSA-N 324.424 4.514 30 20 DJED N#Cc1cnc(Nc2cccc(Oc3ccncc3)c2)c(Cl)c1 514085850 XQGRYBQLTKUIKQ-UHFFFAOYSA-N 322.755 4.538 30 20 DJED N#Cc1c(NC(=O)C[C@H]2C=CCC2)sc2c1CCCCCC2 515448860 BDQIFSHQZUTDMA-ZDUSSCGKSA-N 314.454 4.574 30 20 DJED CC(C)Oc1ccccc1CSCc1ccc(C#N)cc1F 515781098 NHAIEVZPCZJSPX-UHFFFAOYSA-N 315.413 4.918 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CCCC[C@H]1C 520394019 WWXWNPORSZSASY-APWZRJJASA-N 312.457 4.513 30 20 DJED C=C(C)[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(F)c(F)c1 521694916 ASBKZONFAMWYQY-WOJBJXKFSA-N 324.374 4.731 30 20 DJED Cc1ccc([C@H]2CCCCCN2Cc2ccc(F)cc2C#N)o1 523448918 PRMXCSXSAVLXSS-GOSISDBHSA-N 312.388 4.716 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)[C@@H](C)CC 523473587 CPNBETYFNNNCHP-RYUDHWBXSA-N 314.882 4.534 30 20 DJED C=CCCCCCN(C)C(=O)Nc1cccc(OCCC)c1 524610010 PLVIVHJHIHQZNB-UHFFFAOYSA-N 304.434 4.686 30 20 DJED C=CCCC(=O)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 525080259 TUEDDFFIPHPDSP-HNNXBMFYSA-N 309.409 4.506 30 20 DJED CC(C)c1nc2ccc(NCc3ccc(C#N)s3)cc2s1 537505473 UAJUOOHJBWFYJB-UHFFFAOYSA-N 313.451 4.965 30 20 DJED Cc1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1C1CC1 547492490 RKWPIDGNTNLBOZ-UHFFFAOYSA-N 316.404 4.680 30 20 DJED CC(C)c1ccc([C@H](C)CC(=O)NCC(C)(C)CCC#N)cc1 557997924 SZKJZXNICXMKJM-MRXNPFEDSA-N 314.473 4.750 30 20 DJED CCCC[C@@H](C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 582457863 JJPOHANEVNZGCH-CQSZACIVSA-N 323.396 4.510 30 20 DJED N#CC1(CC(=O)N2CCC[C@H]2/C=C/c2ccccc2)CCCCC1 597489500 SCPVKSCBHAACMM-CVTTXWKISA-N 322.452 4.555 30 20 DJED N#Cc1ccc(Oc2ccc(NC(=O)C[C@H]3C=CCC3)cc2)cc1 604457062 NYFUXISXCDCNPS-HNNXBMFYSA-N 318.376 4.645 30 20 DJED C=CC[C@H](C)NC(=O)N(CCC)[C@H](C)c1cc2ccccc2o1 604900690 ANEDGZQYEKOWLO-LSDHHAIUSA-N 314.429 4.880 30 20 DJED C=C(C)COc1cccc(NC(=O)[C@@H](C)c2cccc(C)c2)c1 606777422 PVSBRQRSXLMGKJ-INIZCTEOSA-N 309.409 4.692 30 20 DJED CC[C@H](CC(=O)N(CC(C)C)c1ccc(C#N)cc1)C(C)C 609168511 WRJTZIHOOOKLGD-QGZVFWFLSA-N 300.446 4.620 30 20 DJED N#Cc1ccc(N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1 609513069 OKCNBQMEOQPRAP-UHFFFAOYSA-N 319.383 4.563 30 20 DJED CC[C@](C)(C#N)NC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 610291441 DURWPENEIUUADA-HXUWFJFHSA-N 324.424 4.666 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Cc1csc2ccccc12 611824133 NMLSBNOJHWOASJ-UHFFFAOYSA-N 321.445 4.659 30 20 DJED C=CCN(CC1CCCCC1)C(=S)Nc1ccc(C)cc1 732625511 ODMAYGDNSFMRJE-UHFFFAOYSA-N 302.487 4.760 30 20 DJED Cc1ccc2[nH]cc(C=NNc3ccc(OC(F)F)cc3)c2c1 735613560 BFOXCPVQVKQKFE-UHFFFAOYSA-N 315.323 4.524 30 20 DJED CCc1ccc(/C=C/C(=O)c2c(Cl)nc3sccn23)s1 741844915 STNAPWJPFKKRPA-AATRIKPKSA-N 322.842 4.569 30 20 DJED O=C(/C=C/c1c(Cl)nc2ccccn12)c1coc2ccccc12 747705055 JXKOBXBRDOCHJY-CMDGGOBGSA-N 322.751 4.630 30 20 DJED CC(C)=CCC[C@@H](C)CC=NNc1nc(O)c2ccccc2n1 757582651 FBFZKZSNLUQBGG-CQSZACIVSA-N 312.417 4.506 30 20 DJED N#Cc1ccc(CN[C@@H]2CCCCc3ccc(Cl)cc32)cc1 765015052 NGFNPIPQZSIDSR-LJQANCHMSA-N 310.828 4.769 30 20 DJED CC(C)[C@@H]1/C(=C/c2cccc(OCC#N)c2)C(=O)c2ccccc21 766507116 QYVGBVTTYIUHJA-DTBYZMGXSA-N 317.388 4.608 30 20 DJED CC(Cc1ccncc1)=NNc1cc(C)c2cc(Cl)ccc2n1 767765234 YBLUBSAPRRULFN-UHFFFAOYSA-N 324.815 4.622 30 20 DJED C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1CCCCC(C)(C)C#N 769723960 HBEJDVXDHUUZFW-ZHALLVOQSA-N 314.473 4.557 30 20 DJED CCc1nc(C)c(C(C)=NNc2c(F)cccc2Cl)s1 769829320 PDVRIQHFCOWVOJ-UHFFFAOYSA-N 311.813 4.643 30 20 DJED Cc1c(Cl)cccc1NCc1ccc(N(C)CCC#N)cc1 770511250 SEWBMFWOBNWDLW-UHFFFAOYSA-N 313.832 4.610 30 20 DJED C#CC[C@@H](N[C@H]1CCSc2ccc(F)cc21)c1ccccc1 773113623 DIPHKOFMHVKZGV-MSOLQXFVSA-N 311.425 4.717 30 20 DJED C#CCCCCC(=O)N(Cc1ccco1)c1ccc(Cl)cc1 773360312 ICKASZBLLQIASM-UHFFFAOYSA-N 315.800 4.660 30 20 DJED O=C(/C=C\c1ccc2cnccc2c1)c1ccc(F)c(Cl)c1 782330163 PRLYSHSUIAMTJX-KXFIGUGUSA-N 311.743 4.923 30 20 DJED O=C1/C(=C\c2scnc2C2CC2)CCc2ccc(Cl)cc21 782351434 KTEFUZHIBUXTDR-GHXNOFRVSA-N 315.825 4.886 30 20 DJED CCCCCCCCC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C 787499675 RRAHDJLQZHFRCI-CYBMUJFWSA-N 307.400 4.926 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2cccc(Cl)c2)c(Cl)c1 788360338 INFJKZQKVJASTG-ALCCZGGFSA-N 302.160 4.761 30 20 DJED CCCCCCCCCN(C)C(=O)c1nc(C(C)C)oc1C 795469447 MYLWOEVXFWUSOR-UHFFFAOYSA-N 308.466 4.929 30 20 DJED C=CCC[C@@H](Nc1ccc(OCCOC)c(F)c1)c1ccco1 796870973 FTWOSKRMFBDPMP-MRXNPFEDSA-N 319.376 4.563 30 20 DJED O=C(/C=C/c1ccccc1F)c1ccc(F)c(Br)c1 810247322 KAXYTGALAUOEAD-SOFGYWHQSA-N 323.136 4.623 30 20 DJED N#CCCCCCC(=O)OCc1cc(Cl)cc(Cl)c1 811223605 IHXHPJHDOFAQJK-UHFFFAOYSA-N 300.185 4.511 30 20 DJED C=CCCc1ccccc1NC(=O)CC[C@H]1CC1(Cl)Cl 854343837 MIWYNJOVIZZUKB-ZDUSSCGKSA-N 312.240 4.718 30 20 DJED Brc1ccc(NN=C/C=C/c2ccccc2)cc1 912821982 AEGCPRQWKTVMQK-RCYQAAHFSA-N 301.187 4.560 30 20 DJED Cc1ccc(/C=C\C(=O)c2sccc2Br)cc1 915113026 LSQPYVUIEYAQOL-SREVYHEPSA-N 307.212 4.715 30 20 DJED Cc1ccc(Oc2ccc(Nc3ncc(C#N)cc3F)cc2)cc1 1162297550 OOJYGIOVIRTVNW-UHFFFAOYSA-N 319.339 4.937 30 20 DJED CC(C)[C@@H]1CCc2ccccc2[C@H]1NCc1ccc(C#N)cc1 1178440223 JWELFCMEQVNULM-FPOVZHCZSA-N 304.437 4.608 30 20 DJED N#Cc1ccc(CN[C@H]2CC=C(c3ccc(F)cc3)CC2)cc1F 1204984331 IPFQCMNOYVNCSL-IBGZPJMESA-N 324.374 4.562 30 20 DJED CCC[C@H](Nc1nccc(Oc2cccc(C#N)c2)n1)C1CCC1 1307138530 KVISWVBKZJZRBX-KRWDZBQOSA-N 322.412 4.521 30 20 DJED CCN(CCCc1cccc(F)c1)[C@@H](C)c1ccc(C#N)cc1 1307425798 OWBCTHJHZRDLBC-INIZCTEOSA-N 310.416 4.713 30 20 DJED Cc1c(C#N)cccc1C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 1350408553 CQPCPDNQQVMKOG-IBGZPJMESA-N 320.436 4.774 30 20 DJED CC(C)(C)c1csc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1C#N 1436551545 DRZCIUROWKWIDQ-AVGNSLFASA-N 316.470 4.682 30 20 DJED CC(C)[C@H]1CCc2ccccc2N1Cc1ccc(OCC#N)cc1 1473351398 ZUQDGRQAQYDJTO-HXUWFJFHSA-N 320.436 4.566 30 20 DJED C[C@H](CC(=O)Nc1ccc(Cl)c(C#N)c1)C1CCCCC1 1523657475 ALSDBNMDHHNGNR-GFCCVEGCSA-N 304.821 4.757 30 20 DJED C[C@@H]1CCC[C@@H]1CC(=O)Nc1cc(C(C)(C)C)sc1C#N 1527552804 WJHKVOSPYFDFQQ-VXGBXAGGSA-N 304.459 4.682 30 20 DJED Cc1cccc([C@H](NC(=O)c2cccc(C#N)c2C)C(C)(C)C)c1 1527897262 RHEAODSMWLDNAD-IBGZPJMESA-N 320.436 4.692 30 20 DJED N#Cc1ccccc1Oc1ccccc1COC(=O)CCC1CC1 1544686220 IPZPECTYSWGJQB-UHFFFAOYSA-N 321.376 4.584 30 20 DJED C=C(Cl)CN[C@H](c1ccc(OCC)c(OCC)c1)C(C)C 1559696909 NFGOSLMSDKSKDT-KRWDZBQOSA-N 311.853 4.523 30 20 DJED CC[C@H](C)c1ccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1 1584414900 DMTSGAJNWJEZKU-JKSUJKDBSA-N 320.436 4.905 30 20 DJED CC(C)CN(CCSc1ccccc1)Cc1ccc(C#N)cc1 1615320125 ZVLQSJDEQNZKMD-UHFFFAOYSA-N 324.493 4.809 30 20 DJED CC(C)CCN(CCC#N)C(=O)c1ccc(C(C)C)c(Cl)c1 1616435077 QVMORYKTSPHVQW-UHFFFAOYSA-N 320.864 4.865 30 20 DJED CCC(CC)CN(CCC#N)Cc1ccc(C(C)C)nc1C 1641934336 LMJAJVREBVURSZ-UHFFFAOYSA-N 301.478 4.665 30 20 DJED C=C(Br)CN1CCCc2c(Cl)cc(Cl)cc21 1643340506 RVESCHHBAFDLCE-UHFFFAOYSA-N 321.045 4.655 30 20 DJED Cc1ccccc1[C@H](C)Sc1nc2c(c(C)c1C#N)CCC2 1643546651 UHRSIQXAZDDHIV-AWEZNQCLSA-N 308.450 4.912 30 20 DJED N#Cc1ccc(CCN2C[C@H]3CCCC[C@]32c2ccccc2)cc1 1644801949 JHRZMUFKCKFWHF-YADHBBJMSA-N 316.448 4.502 30 20 DJED CCc1ccc(C2=CCN(Cc3ccc(F)c(C#N)c3)CC2)cc1 1645121028 BNUAHTZIMYJCFV-UHFFFAOYSA-N 320.411 4.549 30 20 DJED Cc1ccnc(N2CCC[C@@H](CCCc3ccccc3)C2)c1C#N 1651664553 KXAZCNOIPJOWRV-LJQANCHMSA-N 319.452 4.501 30 20 DJED C[C@@H](CC(C)(C)C#N)Nc1ccc2nc(C(F)(F)F)oc2c1 1652725936 QESHBDZIEXOHQM-VIFPVBQESA-N 311.307 4.587 30 20 DJED Cc1ccc(CN2CCC(c3ccc(C#N)cc3)CC2)c(Cl)c1 1654935496 DFFWJMUFSGDDMR-UHFFFAOYSA-N 324.855 4.900 30 20 DJED C[C@H](NCc1ccc(C#N)cc1F)C1(c2ccccc2)CCCC1 1657807481 QBYHEIGFKDWXFQ-INIZCTEOSA-N 322.427 4.687 30 20 DJED Cc1cccc2[nH]c(CN(Cc3ccc(C#N)cc3)C3CC3)cc12 1664008886 VRJJTIULZLCXDC-UHFFFAOYSA-N 315.420 4.513 30 20 DJED CC1(C)CCc2ccccc2C(=NNc2ccccc2C(=O)O)C1 1776030574 QQSSUSOYEGVYQR-UHFFFAOYSA-N 322.408 4.564 30 20 DJED CC[C@@H](C)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 69202927 FRYRTYBOLVSPDS-CQSZACIVSA-N 323.396 4.613 30 20 DJED CCN(CCC#N)C(=O)Nc1ccc(Oc2cccc(C)c2)cc1 80165271 VVTPSRWMIATLMH-UHFFFAOYSA-N 323.396 4.555 30 20 DJED C[C@H](N[C@H](CCC#N)c1ccccc1)c1cc(F)c(F)c(F)c1 90665751 RZKYJDMKHQDRRB-YVEFUNNKSA-N 318.342 4.800 30 20 DJED C=C[C@@H](CC(=O)Nc1cccc(C(F)F)c1)c1ccccc1 125301436 CDKWOXFHHCHQHL-ZDUSSCGKSA-N 301.336 4.923 30 20 DJED N#CCC[C@H](NCc1ccc2ccccc2c1)c1ccccc1 130523150 PWMHYJWXCHIGJA-NRFANRHFSA-N 300.405 4.974 30 20 DJED Cc1ccccc1NC(=O)CCS[C@@H](C)c1ccc(C#N)cc1 173829763 DUSCYGFVEDQARR-HNNXBMFYSA-N 324.449 4.690 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)s1 176406421 SNGWQBYXKWDQEB-BQYQJAHWSA-N 307.296 4.535 30 20 DJED O=C(/C=C\c1ccc(O)c(Cl)c1)c1c[nH]c2cc(F)ccc12 215012145 ZYJZDBRXHFJCMU-KTAJNNJTSA-N 315.731 4.562 30 20 DJED C[C@H]1C[C@@H](Nc2ccc(CC#N)cc2)c2ccsc2S1 216992741 YNDUDQCONCCPQU-XHDPSFHLSA-N 300.452 4.852 30 20 DJED Cc1ccc([C@H](C)Nc2ccc(C#N)c(Br)c2)cc1 228181823 PVLOYOTUEMYFBD-LBPRGKRZSA-N 315.214 4.802 30 20 DJED COC1([C@@H](C)Nc2cccc(OCCCC#N)c2)CCCCC1 421837763 SHMBBVRPCWMGKS-MRXNPFEDSA-N 316.445 4.519 30 20 DJED C=CCC[C@@H](NC(=O)N[C@@H]1CCCc2occc21)c1ccccc1 434987965 WXUYNSQSZILLCO-QZTJIDSGSA-N 324.424 4.664 30 20 DJED N#CCSCCCN1CCCCC[C@H]1/C=C\c1ccccc1 441174070 CODAGMLMVPOCSZ-JZHDPFOFSA-N 314.498 4.591 30 20 DJED C[C@H]1C[C@H](c2cccc(F)c2)N(CCCCC(C)(C)C#N)C1 444642636 RQUDVCYJIGVNAX-MAUKXSAKSA-N 302.437 4.929 30 20 DJED C=CCOCCCC(=O)Nc1ccc(S[C@H](C)CC)cc1C 463625477 ROCDJZZUQXNNFD-OAHLLOKOSA-N 321.486 4.807 30 20 DJED Cc1ccc(CCN(CCCC(C)(C)C#N)Cc2ccco2)cc1 472240939 PBAYSLSOVBOPKH-UHFFFAOYSA-N 324.468 4.963 30 20 DJED Cc1ccc([C@H](C)N(C)C(=O)Nc2cc(C#N)ccc2C)c(C)c1 476766835 NAFGUSRTLKQERS-INIZCTEOSA-N 321.424 4.708 30 20 DJED C=CCC[C@@H](C(=O)Nc1scnc1C1CC1)c1ccccc1 489662318 QEUQMVKAMVFURD-OAHLLOKOSA-N 312.438 4.709 30 20 DJED CC(C)(C)[C@](C)(C#N)NC(=O)c1cccc(Oc2ccccc2)c1 499489915 ZLKXZPXVDMDAGA-FQEVSTJZSA-N 322.408 4.537 30 20 DJED C=CCCCCCN(C)C(=O)N[C@H](CC)c1ccc(OC)cc1 516517005 KQIFUPHDEXGWJG-GOSISDBHSA-N 318.461 4.534 30 20 DJED C=CCOc1ccccc1CNCc1cccc(Cl)c1Cl 518280498 RXZSWYLKYSZELD-UHFFFAOYSA-N 322.235 4.848 30 20 DJED CCCCn1c(S[C@H](C#N)C2CCCCC2)nc(C)c1C 523712883 KPHOEOHWCVUAQH-MRXNPFEDSA-N 305.491 4.865 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[C@@H](C)C1 525521273 PQNUXEHOMINSSQ-OLZOCXBDSA-N 311.878 4.742 30 20 DJED C[C@H](Nc1ccc(C#N)nc1)c1ccc(-c2cccc(C#N)c2)cc1 542037425 KDTIPNWIUWHWDO-HNNXBMFYSA-N 324.387 4.665 30 20 DJED C=CCn1c(C(C)C)nnc1N(C)[C@H](C)c1cc2ccccc2o1 565862319 ZRBQUHMOLBBILB-CQSZACIVSA-N 324.428 4.531 30 20 DJED N#CC[C@H]1CCCN(c2nc(-c3ccccc3Cl)cs2)C1 596328111 GNUGFNRGLPSVKY-GFCCVEGCSA-N 317.845 4.594 30 20 DJED N#C[C@@H](Sc1cc2c(cc1Cl)OCCO2)C1CCCCC1 609648978 PDTFPHDAASBGBQ-MRXNPFEDSA-N 323.845 4.676 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2NCc1cc(Cl)ccc1Cl 618741704 LJRUZTICACOANL-QGZVFWFLSA-N 317.219 4.642 30 20 DJED N#Cc1ccc(COc2ccc(-c3ccccc3)cc2Cl)nc1 618908123 NATLYNLEOSGDGV-UHFFFAOYSA-N 320.779 4.853 30 20 DJED C=CCN(Cc1ccccc1F)Cc1nccc2ccccc12 678209245 JSZPEZORRIFPAI-UHFFFAOYSA-N 306.384 4.562 30 20 DJED CCCCCCCCC(=O)Nc1cc(C#N)ccc1OC(F)F 728013383 ZWQMBFGWCJUMTE-UHFFFAOYSA-N 324.371 4.849 30 20 DJED C#Cc1cccc(N(C(=O)C[C@@H](C)c2ccccc2)C(C)C)c1 728247831 IZJOCGCADAQACU-QGZVFWFLSA-N 305.421 4.603 30 20 DJED Cc1ccc(NN=Cc2c(Cl)cccc2OC(F)F)cc1 732924307 QSGLUIFMTMFZKS-UHFFFAOYSA-N 310.731 4.696 30 20 DJED C#CCCOc1ccc(CNCc2ccc(C(C)C)cc2)cc1 733325780 XJXRIETYEFMVFO-UHFFFAOYSA-N 307.437 4.502 30 20 DJED CC(=NNc1c(F)cccc1F)c1oc2ccccc2c1C 735615296 MPBMHGJUUKZALE-UHFFFAOYSA-N 300.308 4.856 30 20 DJED O=C1/C(=C/c2cc(F)c(F)c(F)c2)Cc2cc(Cl)ccc21 742438240 ULDLACXVSOJYMQ-XCVCLJGOSA-N 308.686 4.580 30 20 DJED C(=NOCc1cccnc1)c1ccc(Sc2ccccc2)cc1 753930794 WVWZPBAXFMCLAB-UHFFFAOYSA-N 320.417 4.784 30 20 DJED COc1ccc(C#N)cc1CN[C@@H](C)c1csc2ccccc12 754737169 NDKWACADPLDSAJ-ZDUSSCGKSA-N 322.433 4.632 30 20 DJED CCSc1ccc(C(C)=NNc2nncc3ccccc23)cc1 755489891 BIOALEOYJDOWFB-UHFFFAOYSA-N 322.437 4.578 30 20 DJED C=C(C)[C@H](CC(=O)Nc1ccc(SC(C)(C)C)cc1)OCC 755841043 JCTBPKZEYVMHID-INIZCTEOSA-N 321.486 4.887 30 20 DJED C[C@H](C=NNc1nc(C(F)(F)F)cs1)c1ccc(F)cc1 756895417 NNPNYIJGOCFCMS-MRVPVSSYSA-N 317.311 4.502 30 20 DJED COc1ccc(/C=C\C(=O)c2ccccc2F)c2ccccc12 757472996 BJFUOBIVXAOAFD-BENRWUELSA-N 306.336 4.884 30 20 DJED N#C[C@H]1CCC[C@H](Nc2ccc(N3CCCCC3)c(Cl)c2)C1 765919465 CGCWRWCWNIWHTI-GJZGRUSLSA-N 317.864 4.825 30 20 DJED C#CC[C@H](NCc1cccc(OCC(C)C)c1)c1ccccc1 768939013 YHMYOIZIALCLKR-NRFANRHFSA-N 307.437 4.576 30 20 DJED CCN(CC)c1ccc(CN(C)CCCCC(C)(C)C#N)cc1 769696548 MGPMUKIYNWAIDM-UHFFFAOYSA-N 315.505 4.685 30 20 DJED Cc1c(C(=O)/C=C/c2ccc(C#N)cc2F)oc2ccccc12 772797290 OBRAXZGNSCPHNA-CMDGGOBGSA-N 305.308 4.648 30 20 DJED C#CCCCCN[C@H](C)c1csc(-c2csc(C)n2)c1 773038797 CISAZBYGBCFGDX-GFCCVEGCSA-N 304.484 4.634 30 20 DJED C=CCCC[C@H](C)NC(=S)Nc1ccc(OC(C)C)cc1 776199884 AMPGPSWBYQYTFV-AWEZNQCLSA-N 306.475 4.505 30 20 DJED Cc1cc(C(=O)/C=C/c2cccc(C(=O)O)c2Cl)c(C)s1 787169923 SDHRFFALSOQASL-VOTSOKGWSA-N 320.797 4.613 30 20 DJED C=CCOc1ccc(CN(C(=O)/C(=C\C)CC)C(C)(C)C)cc1 789668587 ZDZFUFIATNKKCO-IUXPMGMMSA-N 315.457 4.735 30 20 DJED CCCc1ccc(OC(=O)C[C@@H](CC#N)c2ccccc2)cc1 796751999 FOFZNFZSPMOGOO-GOSISDBHSA-N 307.393 4.632 30 20 DJED C=CCC[C@H](N[C@H]1CCCc2cn(C(C)C)nc21)c1ccco1 796943289 XOYIMKVMMCGWSQ-IRXDYDNUSA-N 313.445 4.732 30 20 DJED N#Cc1sc(N[C@H]2CC[C@H](c3cccc(F)c3)C2)nc1Cl 804681292 IKDXYRCPIMHIGV-JQWIXIFHSA-N 321.808 4.555 30 20 DJED O=C1/C(=C/c2cccc(C(F)(F)F)c2)Cc2nc(Cl)ccc21 806579796 RXJPMDINLNSSKE-UXBLZVDNSA-N 323.701 4.576 30 20 DJED CC[C@@H](CC(=O)[C@H](C#N)c1nc(C2CC2)cs1)c1ccccc1 842942956 RQZMELHQCHWGEA-BBRMVZONSA-N 324.449 4.781 30 20 DJED CCOc1ccc(C(C)=NNc2nccc3sccc23)cc1 915980689 ZGOPIRTWXPQOBC-UHFFFAOYSA-N 311.410 4.531 30 20 DJED C/C(=C/C(=O)[C@H](C#N)c1ccc2ccccc2n1)c1ccccc1 917422682 JEMMICVYYZTHGG-XXTMNZORSA-N 312.372 4.515 30 20 DJED CCCCCCCC(=O)N1CCC[C@H]1Cc1ccc(F)cc1 917864250 AUGBRMMPRCRIAV-SFHVURJKSA-N 305.437 4.720 30 20 DJED CCCCCCCCCN(C)C(=O)c1ccc(C(C)=O)s1 918398120 VTCVYPJPRWGRHT-UHFFFAOYSA-N 309.475 4.773 30 20 DJED Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(C#N)c(Cl)c1 1124298965 JBMXPYPNNZCJDT-UHFFFAOYSA-N 316.788 4.663 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1cccc(Cl)c1F 1190347499 CPZIELRSICXKAY-UHFFFAOYSA-N 316.807 4.763 30 20 DJED C=C(Cl)CNC(=O)Nc1ccccc1Oc1cccc(C)c1 1197359224 IFKBLLPYKRFBNJ-UHFFFAOYSA-N 316.788 4.661 30 20 DJED CCCC1CCC(NC(=O)Nc2ccc(C#N)cc2Cl)CC1 1215838605 RCGNKAUOHXNFDE-UHFFFAOYSA-N 319.836 4.692 30 20 DJED CC[C@@H]1CCC[C@@H]1NC(=O)Nc1scc(C(C)(C)C)c1C#N 1218513459 FPIBRWAECDOJBF-RISCZKNCSA-N 319.474 4.617 30 20 DJED Cc1cc2c(cc1C)[C@@H](Nc1ccc(OCC#N)cc1)CCS2 1320481773 XYEDVTCPONTCSC-SFHVURJKSA-N 324.449 4.855 30 20 DJED C[C@@H](CCCc1ccccc1)C(=O)O[C@@H](C)c1ccc(C#N)cc1 1435361130 DCEJTQVRGBSNIA-IRXDYDNUSA-N 321.420 4.821 30 20 DJED N#C[C@@H](c1ccccc1)N1Cc2ccccc2-c2ccccc2C1 1459406305 PKZCNKYVIWJXFJ-QFIPXVFZSA-N 310.400 4.934 30 20 DJED C=C(Cl)CNCc1cc(-c2ccccc2C)ccc1OC 1474018468 OTWVWIWJPNAWQQ-UHFFFAOYSA-N 301.817 4.513 30 20 DJED CC(C)[C@@H](Sc1cccc(F)c1C#N)C(=O)c1ccccc1 1559419243 WRRMHOPHJSHBEH-GOSISDBHSA-N 313.397 4.697 30 20 DJED Cc1ccccc1-n1ccnc1S[C@H](C)c1cccc(C#N)c1 1652521092 HOPDIZVSGLSOAE-OAHLLOKOSA-N 319.433 4.906 30 20 DJED Cc1cc(C#N)ccc1CN(c1ccc(F)cc1)C1CCCC1 1652807474 JUTGPNMFGXCBIW-UHFFFAOYSA-N 308.400 4.955 30 20 DJED C[C@H]1CCCc2ccccc2[C@H]1Nc1ncc(C#N)cc1Cl 1655353735 CRLLHAOUDZJCPZ-SJCJKPOMSA-N 311.816 4.732 30 20 DJED N#Cc1nc(Oc2ccc(C3CC3)cc2Cl)sc1Cl 1655507601 LXPPCNMMKRNNEB-UHFFFAOYSA-N 311.193 4.991 30 20 DJED Cc1ccc(Cl)cc1Oc1ccccc1CN[C@H](C)CC#N 1658516835 DVAYOWFNLOMUKL-CQSZACIVSA-N 314.816 4.833 30 20 DJED CC[C@@H](C)c1ccc(C(=O)/C=C\c2ccc(C(=O)O)cc2)cc1 1776697826 PILPATBEFWWZOT-CNTYAEFGSA-N 308.377 4.794 30 20 DJED Cc1ccc([C@@H](C)Nc2cccc(OCCCC#N)c2)s1 37777427 HCAWJEVEZZXCNF-CQSZACIVSA-N 300.427 4.912 30 20 DJED C=C(C)COc1cccc(NCc2cnc(C3CC3)s2)c1 129260992 IEBSODYSJWYNOJ-UHFFFAOYSA-N 300.427 4.588 30 20 DJED CCC[C@H](NCc1cc(C#N)cs1)c1ccc(F)cc1F 150941585 NFAQDCMJBIUTBO-INIZCTEOSA-N 306.381 4.529 30 20 DJED C[C@H](N[C@@H](C)c1ncc(-c2ccccc2)o1)c1cccc(C#N)c1 174358744 HOVSHWVAGOWLCY-GJZGRUSLSA-N 317.392 4.625 30 20 DJED Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc(C#N)c1C 178565027 BXBXMZRCPBWLMH-IBGZPJMESA-N 319.408 4.544 30 20 DJED CC(C)C[C@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1 236648539 FXJBVAONOBYJET-UWJYYQICSA-N 322.452 4.854 30 20 DJED O/C(=N\C1CCC(/C(O)=N\CCC2CCCCC2)CC1)C1CC1 329950787 HZTKRPUGZGWXKK-UHFFFAOYSA-N 320.477 4.839 30 20 DJED CC[C@@H](/N=C(/O)c1csc(C(C)(C)C)n1)c1nc(C)cs1 330628250 YNYAFDRFWHMFJU-SNVBAGLBSA-N 323.487 4.661 30 20 DJED CCCCc1noc(CSCCC2(C#N)CCCCC2)n1 419380413 GRPTVCGXKGMJKI-UHFFFAOYSA-N 307.463 4.510 30 20 DJED COc1cccc(C2CCN(CCCCC(C)(C)C#N)CC2)c1 444619444 JUTUAXUKWXWOPC-UHFFFAOYSA-N 314.473 4.595 30 20 DJED C=C(C)CN(CC)C(=O)Nc1cccnc1-c1ccc(C)s1 446582790 AQZIRNJOSVJUSD-UHFFFAOYSA-N 315.442 4.548 30 20 DJED C[C@@H](C(=O)N[C@@H](c1ccccc1)C(C)(C)C)c1cccc(C#N)c1 461930187 DENAWQJLADYUEB-BEFAXECRSA-N 320.436 4.565 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)c2cc(F)cc(Cl)c2)n1 465415897 JODLXGBNVWFQFU-GFCCVEGCSA-N 322.792 4.549 30 20 DJED C=CCCC1(C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)CC1 476217595 LOMRRRFHGOBMDJ-MRXNPFEDSA-N 320.436 4.672 30 20 DJED C=CCCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 479557964 VMKCMIZRALFVBN-KRWDZBQOSA-N 319.857 4.963 30 20 DJED C=CCSc1ccccc1C(=O)N(CC)Cc1cccs1 485734745 DZFAWEWUOGFQKY-UHFFFAOYSA-N 317.479 4.689 30 20 DJED Cc1cccc2c1CC[C@H]2N[C@@H](C)c1ccc(C#N)cc1Cl 569657231 UPKLUCGSVSQHGL-ORAYPTAESA-N 310.828 4.858 30 20 DJED CC(C)(C)CCC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 574683115 PMOOTKAPENWETG-UHFFFAOYSA-N 323.396 4.510 30 20 DJED CC(C)n1ncc2cc(N[C@@H]3CCc4ccc(C#N)cc43)ccc21 589343755 YEYMVPIWEQVVMF-LJQANCHMSA-N 316.408 4.588 30 20 DJED Cc1c(F)cc(Cl)c2c1CCCN2C(=O)CCCCCC#N 591862105 GXSTXWIXBHXLKM-UHFFFAOYSA-N 322.811 4.541 30 20 DJED CCC(CC)[C@H](NC(=O)c1ccc(C#N)cc1)c1cccs1 604024867 CPSWAIHXXBLITD-KRWDZBQOSA-N 312.438 4.527 30 20 DJED C=CCN(C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccccc1 606763953 KMALCHXSMUSLAL-UHFFFAOYSA-N 324.811 4.583 30 20 DJED C=CCCCCCN(C)C(=O)N[C@@H](c1ccccc1)C1CC1 606918583 JOENPFYJTQHZSX-SFHVURJKSA-N 300.446 4.526 30 20 DJED CCc1ccc([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 609019403 JKYUIESYSVOGLU-GFCCVEGCSA-N 312.800 4.516 30 20 DJED CCCCc1ccc(NC(=O)N[C@H](C)c2cccc(C#N)c2)cc1 610317055 MKDGXCSJPNSDSZ-OAHLLOKOSA-N 321.424 4.784 30 20 DJED C=CCC1(N[C@@H](C)[C@H](C)c2ccc(Cl)cc2)CCOCC1 668551818 XRUBVDMBOJEZKU-GJZGRUSLSA-N 307.865 4.547 30 20 DJED C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2ccccc2Cl)cc1 728694839 LAFRQQSSOYGIFZ-BIRHUZIMSA-N 311.768 4.527 30 20 DJED CCC(=NNc1oc(C(C)(C)C)nc1C#N)c1ccc(CC)cc1 746498630 YYHKXMMJHVQUEV-UHFFFAOYSA-N 324.428 4.632 30 20 DJED CCCCCCCC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 752034531 QJGKNNHUXYPYQO-RBUKOAKNSA-N 312.457 4.645 30 20 DJED Cc1ccsc1C(=O)/C=C\c1ccc(OC(F)F)c(F)c1 754686689 VVYLPJPDTJNWLD-RQOWECAXSA-N 312.312 4.693 30 20 DJED CC(C)O[C@@H]1C[C@@H](/N=C\c2c(O)ccc3ccccc23)C1(C)C 766008289 FFVCULRRPOXTLW-IYUKSVJOSA-N 311.425 4.556 30 20 DJED CCCC(=CC(=O)[C@H](C#N)c1nc(C(C)C)cs1)CCC 771283424 YDHGSLMEEBGZMB-AWEZNQCLSA-N 304.459 4.969 30 20 DJED CCCCCCCCC(=O)Nc1cn(C)nc1-c1ccccc1 773973617 RBZUHULOABBSLL-UHFFFAOYSA-N 313.445 4.776 30 20 DJED CC(CCCC(F)(F)F)=NNc1ncc(Cl)cc1Cl 774332693 BBNUTERPEURGAH-UHFFFAOYSA-N 314.138 4.909 30 20 DJED Clc1ccc([C@@H]2CCCC2=NNc2cnccn2)cc1Cl 776185387 JCSOVRHWVRUKRR-NSHDSACASA-N 321.211 4.519 30 20 DJED CC[C@@]1(C)Oc2ccc(N[C@@H](C)c3cccc(C#N)c3)cc2O1 785572257 XMRSSYVZUWGAMQ-DJJJIMSYSA-N 308.381 4.629 30 20 DJED C/C=C(/CC)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 789630399 XDEHKMHMYALIKK-BNNQUZSASA-N 306.365 4.645 30 20 DJED Cc1ccc(-c2ccc(/C=C/C(=O)c3ccnc(F)c3)o2)cc1 794719348 JISWGNRLIKDWJH-SOFGYWHQSA-N 307.324 4.685 30 20 DJED CC(=NOC/C=C\Cl)c1csc(-c2csc(C)n2)c1 811669543 QIULUQYWJCDTJC-IGCRCVNYSA-N 312.847 4.673 30 20 DJED COCc1ccccc1/C=C(C)/C=C\C(=O)c1ccc(C#N)cc1 814187034 XRSINSYHRIMKJK-XJARGUHHSA-N 317.388 4.547 30 20 DJED CC(=NNc1ccccc1C(F)(F)F)c1ccc(C)nc1C 814688728 KGAXNLPWOIHUAT-UHFFFAOYSA-N 307.319 4.553 30 20 DJED FC1(F)CCC(=NOCc2ccc(C(F)(F)F)cc2)CC1 842529101 OKMSAIHCDJENHB-UHFFFAOYSA-N 307.262 4.787 30 20 DJED CC[C@@H](Nc1ccc([C@@H]2CCOC2)cc1)c1cccc(C#N)c1 903001618 WBYPJNKDNINPTL-UYAOXDASSA-N 306.409 4.625 30 20 DJED CCOc1ccc(C(C)=NNc2nc3ccccc3s2)cc1 916249120 ZPKMAZWQENVVSG-UHFFFAOYSA-N 311.410 4.531 30 20 DJED Fc1cccc(F)c1C=NNc1nc(-c2ccccc2)cs1 916545799 YZTQZWMRWZPRDY-UHFFFAOYSA-N 315.348 4.534 30 20 DJED CC(C)(C)Cc1nnc(-c2ccccc2-c2ccccc2C#N)o1 1117214030 HCXFVBWUZMJMHG-UHFFFAOYSA-N 317.392 4.864 30 20 DJED Cc1nc(Nc2ccc3nc(C(C)(C)C)sc3c2)ccc1C#N 1162652317 JMAIZKAJKADCRR-UHFFFAOYSA-N 322.437 4.913 30 20 DJED N#C[C@H](c1ccccc1)N1CCC[C@@H](c2ccc(F)cc2)CC1 1168437626 LQERYQBXVOYKPL-OXQOHEQNSA-N 308.400 4.660 30 20 DJED N#Cc1nc(N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)ccc1Cl 1186247723 DXUQGUQGFLPAOS-AULYBMBSSA-N 318.207 4.618 30 20 DJED N#Cc1c(F)cccc1SCCc1c(F)cccc1Cl 1189433689 XDCLDLAQDYIXFT-UHFFFAOYSA-N 309.768 4.825 30 20 DJED C[C@H](C#N)CN(C)Cc1cccc(Oc2ccc(Cl)cc2)c1 1190723786 XCKZDKHMNJCMDF-CQSZACIVSA-N 314.816 4.724 30 20 DJED N#Cc1c(NC(=O)c2ccc(C3CC3)cc2)sc2c1CCCC2 1264196027 MFWHVFZWVVPTMB-UHFFFAOYSA-N 322.433 4.628 30 20 DJED CC[C@@H](OC(=O)c1ccc(C)c(C#N)c1)c1ccc(C)c(F)c1 1266902662 RRXSQNMEHZGBOA-GOSISDBHSA-N 311.356 4.622 30 20 DJED Cc1c(F)ccc2c1N(CCC1(C#N)CCCCC1)CCC2 1307848554 HNORTHWZNGZDNJ-UHFFFAOYSA-N 300.421 4.751 30 20 DJED Cc1cccc2oc(C(=O)Nc3ccc(C#N)c(Cl)c3)cc12 1349707183 QEKWYJOSIGXSOE-UHFFFAOYSA-N 310.740 4.519 30 20 DJED N#Cc1ccc(C(F)(F)F)nc1SCCC1CCCC1 1473019212 LOFIXYXFYRODAW-UHFFFAOYSA-N 300.349 4.644 30 20 DJED C[C@H](OC(=O)CC(C1CCC1)C1CCC1)c1cccc(C#N)c1 1518199462 XBTRZROZXAUDDE-AWEZNQCLSA-N 311.425 4.769 30 20 DJED CC(C)[C@H](C)C(=O)OCc1ccccc1Oc1ccccc1C#N 1521370769 OSSHSWOPJFJVJB-HNNXBMFYSA-N 323.392 4.686 30 20 DJED CC(C)c1ccc2c(c1)[C@H](NC(=O)c1csc(C#N)c1)CCC2 1535777313 LGODJYMNPJQQKA-GOSISDBHSA-N 324.449 4.551 30 20 DJED CC[C@@H](Nc1ccc(Cl)c(C#N)n1)C(C)(C)c1ccccc1 1559140505 LSWWBJPMTCLYQZ-MRXNPFEDSA-N 313.832 4.775 30 20 DJED N#Cc1ccc2c(c1)CCCN2C(=O)CCC1CCCCCC1 1588057445 VYUJOVPUUHPJGR-UHFFFAOYSA-N 310.441 4.588 30 20 DJED C[C@H]1[C@H](C)CCC[C@H]1Nc1c(Br)cccc1C#N 1641979277 SASNHWOBNCQSNU-UHIISALHSA-N 307.235 4.557 30 20 DJED C[C@@H](Cc1ccc2ccccc2n1)Sc1ccccc1C#N 1643710035 PICURXGAULOOEA-AWEZNQCLSA-N 304.418 4.830 30 20 DJED C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CCC1(C#N)CCCCC1 1644646276 SPAWQUSLBFHBKM-FUHWJXTLSA-N 314.448 4.868 30 20 DJED Cc1ccc([C@H]2CCC[C@@H]2N(C)Cc2ccc(C#N)s2)cc1 1652575661 QJQJAEFWEOTPLJ-MOPGFXCFSA-N 310.466 4.696 30 20 DJED C[C@@H]1CCC[C@H](CCN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 1653428125 TXPDLPSQLJQBTE-RMVXJAJNSA-N 310.485 4.975 30 20 DJED CC(C)(CNc1ccc(Cl)c(C#N)n1)c1ccccc1Cl 1655088636 BGVPUYLZXATEGW-UHFFFAOYSA-N 320.223 4.650 30 20 DJED C=C(Cl)CN(Cc1ccc(Br)cc1)C(C)(C)C 1655144081 ISTOVQNBXNZPID-UHFFFAOYSA-N 316.670 4.802 30 20 DJED COC1(CNc2ccc(Oc3ccccc3)c(C#N)c2)CCCC1 1658091253 YCSVHHCSXHVRNN-UHFFFAOYSA-N 322.408 4.722 30 20 DJED Cc1cc(C#N)ccc1CN1CC2(CCCC2)[C@H]1c1ccccc1 1658898395 NLXFDTAEIDOMBZ-OAQYLSRUSA-N 316.448 4.984 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCC[C@@H]1CCC(C)C 1675079534 BIHCBSVINUSBOL-SJORKVTESA-N 313.445 4.593 30 20 DJED Cc1cc(/C=C/C(=O)c2nc3ccccc3s2)cc(C)c1O 7335920 ACWDTLVARUTDKU-BQYQJAHWSA-N 309.390 4.515 30 20 DJED N#Cc1ccc(Cl)cc1NCc1cccc(Br)c1 36954237 YUIIQJUGBUBBMM-UHFFFAOYSA-N 321.605 4.586 30 20 DJED C[C@@H](Sc1nnc(-c2cccs2)o1)c1ccc(C#N)cc1 118172732 ABFBESQGSUNSSV-SNVBAGLBSA-N 313.407 4.523 30 20 DJED CCc1ccccc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 125118301 ZTUFOKBMDCCAKL-AWEZNQCLSA-N 324.449 4.896 30 20 DJED Cc1cc(NCC(C)(C)CCC#N)ccc1OCC(F)(F)F 151080733 DCPGOJUZDJJYBV-UHFFFAOYSA-N 314.351 4.678 30 20 DJED O=C(/C=C/c1cccc2nccn12)c1cc(Cl)sc1Cl 180310797 NKOFDEYXQPAKHL-SNAWJCMRSA-N 323.204 4.599 30 20 DJED C[C@@H](Nc1cccc(Oc2ccccn2)c1)c1cccc(C#N)c1 190713991 WKEDWVIREBGQFM-OAHLLOKOSA-N 315.376 4.919 30 20 DJED CC[C@H](C)Sc1ccc(NC(=O)[C@](C)(C#N)CC)c(C)c1 288671594 SSTWLMAJNUIQRC-GUYCJALGSA-N 304.459 4.764 30 20 DJED Cc1csc(-c2cccc(Nc3c(C#N)cccc3C#N)c2)n1 302910401 ZBSNNRDLIYMIBL-UHFFFAOYSA-N 316.389 4.605 30 20 DJED C[C@@H]1CCC[C@@H](C/N=C(/O)CCc2nc3ccccc3o2)C1 329111118 GOVNIFGRODMTBX-ZIAGYGMSSA-N 300.402 4.543 30 20 DJED CC(C)Oc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 341760300 LGABOJYTEAQWEG-NRFANRHFSA-N 320.436 4.513 30 20 DJED CC[C@H](NCc1c(F)cccc1SC)c1ccc(C#N)cc1 353910077 FJNRDCUDOZFMRF-KRWDZBQOSA-N 314.429 4.660 30 20 DJED N#Cc1ccc(CNc2cccc(C(F)F)c2)c(OC(F)F)c1 439559368 DEHMMSVLOLULMG-UHFFFAOYSA-N 324.277 4.709 30 20 DJED C[C@@H](Sc1ccc(C(F)(F)F)cn1)c1cccc(C#N)c1 442916596 ZIAKZIAUODEXBK-SNVBAGLBSA-N 308.328 4.825 30 20 DJED COc1cccc([C@H]2C[C@H](C)CN2CCCCC(C)(C)C#N)c1 444689149 MKDSGPCJLILGKE-QFBILLFUSA-N 314.473 4.798 30 20 DJED CC1(C#N)CCC(N[C@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 449295216 QQSNUAIPBGSDRY-BARLLCKDSA-N 300.421 4.524 30 20 DJED CC[C@@H](C)c1ccc([C@@H](NC(=O)CCCC#N)C(C)C)cc1 462152303 SMXLOQHMDQXZBJ-BEFAXECRSA-N 300.446 4.707 30 20 DJED CCCC[C@H](CC)C(=O)Nc1cc(C#N)ccc1OC(C)C 463571825 WFSPALSJUJMFLK-HNNXBMFYSA-N 302.418 4.500 30 20 DJED C[C@H](c1ccc(-c2ccccc2)cc1)N(C)CCCSCC#N 466744134 CIDQFMMYLGMADA-QGZVFWFLSA-N 324.493 4.993 30 20 DJED C=CCCCC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 480894630 FXXLMQCSMOSUSM-UHFFFAOYSA-N 316.788 4.822 30 20 DJED N#Cc1cccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 486095482 LKJMAHPYXNIBFM-UHFFFAOYSA-N 312.328 4.710 30 20 DJED C=CCOc1ccccc1C(=O)Nc1cccc(SCC)c1 505147147 RLRMMBLMVRMIAW-UHFFFAOYSA-N 313.422 4.616 30 20 DJED C=C(CNC/C(C)=C\c1ccccc1COC)c1ccccc1 510284214 SJVUAZZQJLGVTP-LGMDPLHJSA-N 307.437 4.539 30 20 DJED C=C(C)CN(C/C=C/c1ccccc1)Cc1cnn(C(C)C)c1 512532779 VECSIXRHCADCAS-DHZHZOJOSA-N 309.457 4.556 30 20 DJED CCN(C(=O)C(C1CCC1)C1CCC1)[C@@H](C)c1ccc(C#N)cc1 521304083 RPDHPZYKOUKXRX-HNNXBMFYSA-N 324.468 4.684 30 20 DJED C=CCC(CC=C)C(=O)Nc1cc(Cl)ccc1OC(C)C 522046823 HOJOFBQROCITLB-UHFFFAOYSA-N 307.821 4.834 30 20 DJED Cc1ccc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 554983284 ZSDGSMUCYVURCM-UHFFFAOYSA-N 315.376 4.666 30 20 DJED C=CCC[C@H](N[C@H]1CCO[C@H](C(CC)CC)C1)c1ccco1 560550021 SUUQPFHXQBCMRL-LNLFQRSKSA-N 305.462 4.860 30 20 DJED Cc1ccccc1[C@@H](N[C@H]1CCc2ccc(C#N)cc21)C1CC1 562090460 TYWUQNYZHNLUNP-SFTDATJTSA-N 302.421 4.595 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CC[C@H](C)CC1 568987531 NTZKVRKFXQEDFP-RBSFLKMASA-N 316.470 4.703 30 20 DJED CC(C)CC[C@H](NC(=O)N1CCC(CCC#N)CC1)C(C)(C)C 573115201 LUSDVPZFGMMHTD-KRWDZBQOSA-N 321.509 4.563 30 20 DJED N#Cc1cc(Cl)ccc1CNc1ccc(-c2ccccn2)cc1 576381907 JJAUIGLROHXXCE-UHFFFAOYSA-N 319.795 4.886 30 20 DJED Cc1csc([C@@H](C#N)C(=O)c2ccc(C3=CCCC3)cc2)n1 579298165 MBXXUJFVOXJRSL-INIZCTEOSA-N 308.406 4.509 30 20 DJED CC[C@H](C#N)c1ccc(-c2ccccc2OC[C@H]2CCOC2)cc1 592987187 WPIAGHFRKINNGY-DLBZAZTESA-N 321.420 4.786 30 20 DJED CC[C@H](C#N)C(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C 593450270 JXTGGJZNENPUMD-HZPDHXFCSA-N 322.408 4.623 30 20 DJED C=CCCOCc1nc(-c2cccc(Oc3ccccc3)c2)no1 603644836 PSGZVPZRSSCPCC-UHFFFAOYSA-N 322.364 4.622 30 20 DJED CCCCN(C(=O)c1sccc1C#N)[C@H](C)c1ccc(C)o1 604523154 HRKJKLFOAQDCET-CYBMUJFWSA-N 316.426 4.525 30 20 DJED C[C@H](C#N)C(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1 609921016 FBTUVLUZUWPCPA-LLVKDONJSA-N 316.813 4.589 30 20 DJED CCc1ccc(C(C)=NNc2cccc(C(F)(F)F)n2)s1 739421297 INFOBUMTEBUSMD-UHFFFAOYSA-N 313.348 4.560 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C1CCCCCCC1 741535079 NKVXFQVJUWGXMZ-UHFFFAOYSA-N 312.457 4.656 30 20 DJED O=C(/C=C/c1cccc(C(F)(F)F)c1)c1ccc2c(c1)COC2 742434701 LGWGLCGUSAGRJR-QPJJXVBHSA-N 318.294 4.632 30 20 DJED COc1cc(C)c(/C=C\C(=O)c2coc3ccccc23)cc1OC 747706672 YAYHYQLIWMMCPM-HJWRWDBZSA-N 322.360 4.655 30 20 DJED CC(=NNc1ccnc2cc(Cl)ccc12)c1ccsc1 749098697 GMVXEQACCOWXAF-UHFFFAOYSA-N 301.802 4.786 30 20 DJED Cc1ccc(C)c(NC(=S)N(c2cccc(C#N)c2)C(C)C)c1 749766132 BPHTZWNRXKRODV-UHFFFAOYSA-N 323.465 4.787 30 20 DJED C=CCC[C@@H](NC(=O)/C(C)=C\C)c1ccc(C(F)(F)F)cc1 749947066 PPTMSHYIWWKZQJ-HYMFSAHRSA-N 311.347 4.795 30 20 DJED CCC1(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)CCCC1 757313160 IVDFOSBKKCRKEO-LBPRGKRZSA-N 316.401 4.582 30 20 DJED CC1(C)CCC/C(=C\c2ccccc2OCc2ccccn2)C1=O 757535350 QUHPFWZDEKETTC-SAPNQHFASA-N 321.420 4.823 30 20 DJED Clc1ccccc1CNN=Cc1cccc(-c2cccnc2)c1 768482849 JMPLGDVTIARJGG-UHFFFAOYSA-N 321.811 4.526 30 20 DJED O=C(/C=C/c1ccc(-n2cnc3ccccc32)cc1)c1ccco1 769771022 LEBGSBXNWJBWDX-FMIVXFBMSA-N 314.344 4.515 30 20 DJED Cc1cc2cc([C@H](C)NCc3cc(C#N)ccc3F)oc2cc1C 773030306 NHKZVEVWTPFOCI-AWEZNQCLSA-N 322.383 4.911 30 20 DJED N#Cc1cc(C(=O)Nc2ccc3ccccc3c2)ccc1Cl 775611778 YXPXLXOWMGHFJZ-UHFFFAOYSA-N 306.752 4.617 30 20 DJED CC(CC1CCOCC1)=NNc1cc(Cl)cc(Cl)c1 790212524 XUFMSPGRVHONIV-UHFFFAOYSA-N 301.217 4.598 30 20 DJED Cc1ccc([C@H](NCc2ccc(C#N)cn2)C2CCCCC2)cc1 790682406 CWCQIXLJGDCSHI-OAQYLSRUSA-N 319.452 4.673 30 20 DJED N#Cc1sc(NCc2ccc(C3CCC3)cc2)nc1Cl 804649642 IBZHOVYMNSNXLE-UHFFFAOYSA-N 303.818 4.548 30 20 DJED CCOCc1cc(/C=C2/C(=O)c3ccccc3[C@@H]2C)ccc1OC 809156304 KRAFSBRTKUNPRD-BXUJETTOSA-N 322.404 4.615 30 20 DJED COc1cc(/C=C\C(=O)c2c(F)cccc2Cl)ccc1C 809159106 IGVWQWPVSTUQKC-HJWRWDBZSA-N 304.748 4.692 30 20 DJED Cc1ccc2c(Cl)c(C(=O)OC3(CC#N)CCC3)sc2c1 810855485 MYJYGUIGOHQXAL-UHFFFAOYSA-N 319.813 4.856 30 20 DJED C#C[C@H](NCc1cnc(C(C)(C)C)s1)c1ccc(Cl)cc1 811517627 XYNDLJRBVPWLRS-HNNXBMFYSA-N 318.873 4.558 30 20 DJED N#Cc1ccc(N[C@@H]2CCO[C@@H](c3cccs3)C2)c(Cl)c1 894101375 PRUBRZOTGLWNQW-IUODEOHRSA-N 318.829 4.605 30 20 DJED C=CCN(C(=S)Nc1ccc(Cl)cc1Cl)C(C)C 917589385 UMZJEUDRSQCPET-UHFFFAOYSA-N 303.258 4.587 30 20 DJED COc1c(Cl)cc(Cl)cc1C=NNc1cccc(C)c1 921254557 YFWNCRGOYWBFPO-UHFFFAOYSA-N 309.196 4.756 30 20 DJED CCC(C)(C)c1ccc(NC(=O)c2cc(C#N)ccc2F)cc1 1128724726 HCRNUEXQFJEYRJ-UHFFFAOYSA-N 310.372 4.637 30 20 DJED CC(C)CCOc1ccc(Nc2nc(Cl)c(C#N)s2)cc1 1162612838 LOUOLLLRTZCJEH-UHFFFAOYSA-N 321.833 4.837 30 20 DJED CC[C@@H]1CC[C@H](C)N1Cc1ccc(-c2ccccc2C#N)cc1 1168570866 UFSKAHRJPZIMAH-OXJNMPFZSA-N 304.437 4.988 30 20 DJED CC1(C#N)CCC(NCC2(c3ccccc3)CCCCC2)CC1 1173584851 OAQGBIYVTGYXJU-UHFFFAOYSA-N 310.485 4.951 30 20 DJED Cc1cc(CN[C@@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)ccc1C#N 1308438179 NNJMNNUEFLYDIS-WQTXXOFMSA-N 318.464 4.929 30 20 DJED C#CCOc1ccc([C@@H](C)N[C@@H](CC)c2ccc(F)cc2)cc1 1320221052 SRTUFOJKHIBTDB-QRWLVFNGSA-N 311.400 4.640 30 20 DJED C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(-c3ccccc3)s2)C1 1322945322 XCXRBZPBEGWSDX-IFXJQAMLSA-N 324.449 4.617 30 20 DJED C=C[C@H](Cc1nnc(CCCc2ccccc2)o1)c1ccccc1 1322984637 YJIPUUAVTASLRX-GOSISDBHSA-N 318.420 4.757 30 20 DJED N#Cc1ccc(C(=O)OCc2ccc(C3CCCCC3)cc2)o1 1356249999 VALOIVZBZVNFSM-UHFFFAOYSA-N 309.365 4.556 30 20 DJED Cc1ccc(C#N)cc1C(=O)N[C@H](CC1CCC1)c1ccccc1 1435726998 WHZZBUUYCHSWME-HXUWFJFHSA-N 318.420 4.528 30 20 DJED CC(C)c1ccc(-n2ccnc2S[C@H]2CC[C@H](C#N)C2)cc1 1458835216 NLIGUEHDPIXDLG-YOEHRIQHSA-N 311.454 4.780 30 20 DJED Cc1c(Cl)cnc(N[C@H]2CCC[C@@H]2CCC(C)C)c1C#N 1472683321 AJPLSPCOJIZCEA-CJNGLKHVSA-N 305.853 4.932 30 20 DJED N#Cc1cccc2c1CCN2Cc1ccc(-c2ccsc2)cc1 1473570520 WZYRLLDTLBDLJB-UHFFFAOYSA-N 316.429 4.849 30 20 DJED CC[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1cc(C)ccc1C 1475838106 DLUBCCSVWJGWPD-IBGZPJMESA-N 321.424 4.642 30 20 DJED CCc1c(C)sc(NC(=O)C[C@H]2CCCC[C@@H]2C)c1C#N 1520400190 QBEDFAFIPLYGAM-WCQYABFASA-N 304.459 4.646 30 20 DJED CCC(CC)[C@@H](C)C(=O)Nc1cc(C(C)(C)C)sc1C#N 1521110830 OTGZQFVLYSYRJP-LLVKDONJSA-N 306.475 4.928 30 20 DJED CC(C)CCC(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@H](C)CC2 1524020603 IENXVZIQPHMNAZ-NEPJUHHUSA-N 304.459 4.680 30 20 DJED Cc1ccc(C(=O)N2CC[C@H](CC(C)(C)C)C2(C)C)cc1C#N 1525195311 OUZJFCARCJPDDD-QGZVFWFLSA-N 312.457 4.544 30 20 DJED CC[C@H](CC(=O)Nc1ccc(Cl)cc1C#N)c1ccccc1 1528631975 MMGJMBDCPRDTET-CYBMUJFWSA-N 312.800 4.734 30 20 DJED CCC[C@H](CC(C)C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1536557539 MIMOIZICXLCIPC-IEBWSBKVSA-N 312.457 4.514 30 20 DJED C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3cccc(C#N)c3)c21 1538254340 JHNITPHLKHCCGG-CYBMUJFWSA-N 304.393 4.595 30 20 DJED C[C@H]1CC(C)(C)c2cccc(NC(=O)c3csc(C#N)c3)c21 1538362593 HRXHKYAMAWFPML-NSHDSACASA-N 310.422 4.657 30 20 DJED CCc1ccc([C@@H](C)CC(=O)Nc2cccc(C#N)c2C)cc1 1544114594 PGEBFRRVVZVVPV-AWEZNQCLSA-N 306.409 4.561 30 20 DJED Cc1c(Cl)cnc(N[C@H](C)Cc2ccccc2Cl)c1C#N 1559071422 PJYZHOGUMAEQGA-SNVBAGLBSA-N 320.223 4.612 30 20 DJED CCCN(Cc1ccc(C)cc1)c1nc(C)c(C#N)cc1Cl 1639614310 FZEBUNFQGZQTFA-UHFFFAOYSA-N 313.832 4.640 30 20 DJED N#Cc1cnc(N2CC3(CCCCC3)[C@@H]2c2ccccc2)c(F)c1 1640004427 AFDJPWNHFRORJF-SFHVURJKSA-N 321.399 4.604 30 20 DJED N#Cc1ncccc1SCc1ccc(-c2ccccc2)cc1 1641128115 ADPIQZZCNOITOS-UHFFFAOYSA-N 302.402 4.913 30 20 DJED C=C(Cl)CN(C)[C@H](C)c1sc(-c2ccccc2)nc1C 1642268770 LAPOGBMQKQNAIY-CYBMUJFWSA-N 306.862 4.864 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1CCC(CCc2ccccc2)CC1 1648339222 COWKTYQVSLVERO-SFHVURJKSA-N 318.464 4.964 30 20 DJED Cc1cc(CN[C@H]2C[C@H](c3cccc(Cl)c3)C2)ccc1C#N 1651016505 NYYPRIAYKJMXMP-UAPYVXQJSA-N 310.828 4.556 30 20 DJED CC(F)(F)c1ccccc1NC1CC(C#N)(c2ccccc2)C1 1652493761 GIOUIPDKKAMRIE-UHFFFAOYSA-N 312.363 4.834 30 20 DJED N#Cc1ccc(CCN(c2ccccc2F)C2CCCC2)cc1 1653647511 WPOKVYBCVKHKBM-UHFFFAOYSA-N 308.400 4.689 30 20 DJED CC[C@H]1CCCC[C@H]1CNC(=O)Nc1ccc(C#N)c(Cl)c1 1657862620 UPVGVZWNZZGBBF-JSGCOSHPSA-N 319.836 4.550 30 20 DJED C[C@@H](CCC#N)CN1CCC(C)(c2ccc(Cl)cc2)CC1 1657958239 SHQAVIMHICPCKW-HNNXBMFYSA-N 304.865 4.633 30 20 DJED CC1(C)CCc2ccccc2[C@H](NCc2cccc(F)c2C#N)C1 1659005535 UUVCQTYHYCVLLT-HXUWFJFHSA-N 322.427 4.891 30 20 DJED CCc1ccc([C@@H]2CCCN(Cc3cccc(F)c3C#N)C2)cc1 1659727733 NCYDMDBGAXEFHK-GOSISDBHSA-N 322.427 4.639 30 20 DJED N#Cc1cccc(CN[C@H](c2ccccc2)c2ccc(F)cc2)c1 48367600 QARLUKOSNKNTOB-OAQYLSRUSA-N 316.379 4.577 30 20 DJED CC(C)Oc1ccc(C#N)cc1N[C@H](C)c1ccc(F)cc1F 63640729 SZXKWLKJKFLGJC-GFCCVEGCSA-N 316.351 4.797 30 20 DJED COc1ccc2cc(C(=O)/C=C\c3ccccc3OC)ccc2c1 97475326 GLOQWBOAQSMSKV-BENRWUELSA-N 318.372 4.753 30 20 DJED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)C1CC1 178452647 ZNSYMXOPXJDLCR-AWEZNQCLSA-N 320.392 4.644 30 20 DJED C[C@@H](SCc1nc(-c2ccccc2)no1)c1cccc(C#N)c1 190783408 QUQFNWAWUOGGQZ-CYBMUJFWSA-N 321.405 4.603 30 20 DJED N#Cc1ccc(Oc2ccc(Cl)cc2)cc1Br 228200245 IGGNMDRSROICET-UHFFFAOYSA-N 308.562 4.766 30 20 DJED N#CC1(CCCSc2ccc(F)c(Cl)c2)CCOCC1 280938328 HXKSNEDISOCKIA-UHFFFAOYSA-N 313.825 4.672 30 20 DJED C[C@H](CSCCCC1(C#N)CCOCC1)c1ccccc1 281117392 ZTDZWVQKTMYCAE-MRXNPFEDSA-N 303.471 4.624 30 20 DJED COc1ccc([C@H]2CCCN2c2ccc(C#N)c(Cl)c2)cc1 301142317 COTDZQLXPBROEF-GOSISDBHSA-N 312.800 4.562 30 20 DJED CC(C)[C@@H](Nc1ccc(C#N)cn1)c1cccc(C(F)(F)F)c1 301188726 QQSIBNAPEDBAJD-MRXNPFEDSA-N 319.330 4.781 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@H](C)c2cccc(OC(C)C)c2)c1 302123266 VFXUCUASRHNZOC-CQSZACIVSA-N 322.408 4.721 30 20 DJED Cc1cc(C)c2cc(CN[C@H](CCC#N)c3ccccc3)[nH]c2c1 359002723 MKIFECJBNWAJLA-HXUWFJFHSA-N 317.436 4.919 30 20 DJED CC(C)(C)c1cc(C#N)c(NC(=O)c2csc(Cl)c2)s1 411006464 JHBVTNDIFRNTQZ-UHFFFAOYSA-N 324.858 4.884 30 20 DJED C=CCNC(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 438867283 RTUVZYRWDOQTNM-CQSZACIVSA-N 312.438 4.847 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1ccc(COC2CCCC2)cc1 439580747 JUOHDXCCIOFOFD-MRXNPFEDSA-N 316.445 4.622 30 20 DJED Cc1oc(-c2ccccc2)nc1CSc1ccccc1C#N 439711633 CGXFDJADFWUGBM-UHFFFAOYSA-N 306.390 4.814 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1cccc(F)c1C 467362583 RAIAISGHUJXAGQ-UHFFFAOYSA-N 304.409 4.734 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)CCC(C)(C)c1ccccc1 471156218 IKDLVVGALDUPBG-UHFFFAOYSA-N 314.473 4.675 30 20 DJED C[C@@H](N[C@H](C)c1cc2cccc(F)c2o1)c1ccc(C#N)cc1 474102592 BLHJKKNBOGQMBE-CHWSQXEVSA-N 308.356 4.855 30 20 DJED C=C[C@@H](CC(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccccc1 481547026 VFZCNRZZKUNDPX-QSFXBCCZSA-N 323.411 4.548 30 20 DJED CCCCn1c(SCc2ccc(F)cc2C#N)nc(C)c1C 483064367 ZPOXYEWPSGFCGI-UHFFFAOYSA-N 317.433 4.603 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1ccccc1SC(C)C 488903260 XGTUDESJRAXWQF-CQSZACIVSA-N 304.459 4.760 30 20 DJED CSCc1cccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1 526003759 DMNLFJWYJCIGSO-UHFFFAOYSA-N 324.449 4.603 30 20 DJED C=CC[C@@H](C)[C@H](C)NCc1cccc(COCc2ccco2)c1 532193095 OLTDLXCRTXTXNY-SJORKVTESA-N 313.441 4.687 30 20 DJED CCSc1ccccc1C(=O)Nc1ccc(C#N)cc1Cl 532699001 RARJFVFACXEGDS-UHFFFAOYSA-N 316.813 4.576 30 20 DJED C[C@@H](Nc1ccc2nc(C3CC3)oc2c1)c1ccc(C#N)c(F)c1 537450070 RFMZLJHYZKUOBH-LLVKDONJSA-N 321.355 4.889 30 20 DJED C=C(C)CN[C@H](C)c1ccc(OCc2ccccc2)c(OC)c1 540352143 LVOXIQJLCFBFGC-MRXNPFEDSA-N 311.425 4.501 30 20 DJED N#CCC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 543783542 XZIAIQKYGRXFQB-UHFFFAOYSA-N 306.409 4.605 30 20 DJED C=CCCC1(C(=O)N2CCC[C@@](C)(c3ccccc3)CC2)CC1 553195499 XKQNQUVSKATCEY-HXUWFJFHSA-N 311.469 4.703 30 20 DJED N#CCC1(CSCc2coc(-c3ccc(F)c(F)c3)n2)CC1 596339795 DPEMDIHEZCZEOO-UHFFFAOYSA-N 320.364 4.547 30 20 DJED CC(C)Oc1ccc(-c2cccc(C3(C#N)CCOCC3)c2)cc1 596635649 HXLVWEJHUQKDHD-UHFFFAOYSA-N 321.420 4.713 30 20 DJED C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)c1ccncc1 609782845 CSPOPTXKSMEFQN-CQSZACIVSA-N 317.417 4.869 30 20 DJED CC(C)OCc1ccc(N[C@@H]2CCCc3cc(C#N)ccc32)cc1 611469070 VEFVRVNVVSCANN-OAQYLSRUSA-N 320.436 4.973 30 20 DJED COc1cccc(O)c1C=Nc1cc(-c2ccncc2)ccc1C 726118025 HPQVOVVZGKEICS-UHFFFAOYSA-N 318.376 4.522 30 20 DJED Cc1c(NN=Cc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] 727972994 OHLHEXABUCLWLS-UHFFFAOYSA-N 324.167 4.656 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(C(F)(F)F)cc1)C2 730949387 VARAGBWZZJYKLA-NTEUORMPSA-N 302.295 4.836 30 20 DJED Cc1ccc(CC(=NNc2cnnc3ccccc23)C(C)C)cc1 741459749 FAUOZWBYWCIDBP-UHFFFAOYSA-N 318.424 4.605 30 20 DJED CC(=NNc1cc(F)cc(F)c1)c1cccc(-c2ccncc2)c1 741461659 NTEMVCJEJQAYGV-UHFFFAOYSA-N 323.346 4.863 30 20 DJED CC(C)Oc1cccc(CNc2c(Cl)cccc2C#N)c1 742394850 ZFNURIQLUILJRN-UHFFFAOYSA-N 300.789 4.611 30 20 DJED CCCCC[C@@H](C)CC(=O)N(Cc1ccc(C#N)cc1)C(C)C 742593956 VDMXAJVPTGRVHL-QGZVFWFLSA-N 314.473 4.902 30 20 DJED Clc1ccc2c(c1)C(=NOCc1cccnc1)CCCS2 746587913 FYSXYFWRHIVJJK-UHFFFAOYSA-N 318.829 4.542 30 20 DJED Cc1cccc(C)c1NC(=S)N[C@@H](CCC#N)c1ccccc1 747711211 YRKONKNKCADZBB-KRWDZBQOSA-N 323.465 4.635 30 20 DJED Fc1ccc(/C=C\C=NNc2cccc3cnccc23)c(F)c1 758110448 WQDYJNJWQXBPBM-DOEQCTFRSA-N 309.319 4.624 30 20 DJED N#C[C@@H]1CCC[C@@H](Nc2ccc(N3CCCCC3)c(Cl)c2)C1 765919468 CGCWRWCWNIWHTI-HUUCEWRRSA-N 317.864 4.825 30 20 DJED C[C@@H](CSc1ccccc1)C(=O)OCCCCC(C)(C)C#N 768696331 JOYPYWRIUUUXID-HNNXBMFYSA-N 319.470 4.678 30 20 DJED O=C(/C=C\c1ccc(-c2cccc(F)c2)s1)c1ccncc1 776188490 TXXLVGWSKWEGNF-XQRVVYSFSA-N 309.365 4.845 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2Nc1cc2ccccc2c(Cl)n1 784832181 JZBUXFYZAFLBIR-QGZVFWFLSA-N 319.795 4.859 30 20 DJED CCc1c(C(=O)/C=C/c2ccnn2C(C)C)oc2ccccc12 794936522 BBWSEHISDZPAPY-MDZDMXLPSA-N 308.381 4.669 30 20 DJED C#Cc1ccc(CNc2ccc(-c3cnc(C4CC4)o3)cc2)cc1 809598806 IWPIWNMYZJIEKX-UHFFFAOYSA-N 314.388 4.812 30 20 DJED O=C(/C=C/c1ccc(F)c(Br)c1)c1ccc(F)cc1 916135682 HKHUWFNQKLRDLG-KRXBUXKQSA-N 323.136 4.623 30 20 DJED CC(C)(C)c1n[nH]cc1/C=C\C(=O)c1ccc(Cl)cc1Cl 920062902 FENDTNXUAPTJNJ-DAXSKMNVSA-N 323.223 4.910 30 20 DJED CCn1nc(C)c(C(=O)/C=C\c2cccc(Cl)c2Cl)c1C 920927784 OJZVDCQSFDCBQU-HJWRWDBZSA-N 323.223 4.723 30 20 DJED C[C@H](OC(=O)c1cc2ccccc2s1)c1ccc(C#N)cc1 1126638339 VPQPLVUNQABRDI-LBPRGKRZSA-N 307.374 4.691 30 20 DJED C[C@@H]1CC[C@@H](c2ccccc2)N(Cc2cccc(F)c2C#N)C1 1308757164 RCBZYQYPCKKPNF-QRWLVFNGSA-N 308.400 4.671 30 20 DJED Cc1cc(C#N)cc(NC(=O)N(C)c2cccc(C(C)C)c2)c1 1310872093 NUOKXVYPBHHKGA-UHFFFAOYSA-N 307.397 4.658 30 20 DJED C=C[C@@H](CC(=O)N[C@@H](CC)c1ccc(F)cc1)c1ccccc1 1320321553 MWXYSYMAMPMLFL-KXBFYZLASA-N 311.400 4.753 30 20 DJED N#CC1(Cc2nnc(-c3cccc4ccccc34)o2)CCCCC1 1327349267 RJAZKRXVIKYRMQ-UHFFFAOYSA-N 317.392 4.906 30 20 DJED CCC(=NNc1ccc(C(C)(C)C)nn1)c1ccc(Cl)cc1 1328714701 AKFPTEAFHVZJSJ-UHFFFAOYSA-N 316.836 4.654 30 20 DJED CCc1c(C(=O)Nc2sc(C)c(C)c2C#N)oc2ccccc12 1348959137 VTQWPEZZWUCAQU-UHFFFAOYSA-N 324.405 4.798 30 20 DJED C[C@H](OC(=O)c1ccc(C(F)F)cc1F)c1cccc(C#N)c1 1457759716 JDKGWAKKLPQCNW-JTQLQIEISA-N 319.282 4.553 30 20 DJED N#Cc1cc(Cl)cc(OCc2csc(C3CCCC3)n2)c1 1459128710 QWKAULYQMVEZPX-UHFFFAOYSA-N 318.829 4.905 30 20 DJED N#Cc1cc(Cl)ccc1NC(=O)c1cccc(-c2ccoc2)c1 1528631907 KLWKSWQQVLQQBP-UHFFFAOYSA-N 322.751 4.724 30 20 DJED C[C@@H]1CCC[C@@H](CNc2ccc(C#N)c(Br)c2)[C@@H]1C 1639855842 XLQQHTMZTBFHQD-BZPMIXESSA-N 321.262 4.805 30 20 DJED N#CC1(CC(=O)N2CCC[C@@H](C3CCCCC3)C2)CCCCC1 1642219812 DUVSNFFVKSTQEN-GOSISDBHSA-N 316.489 4.669 30 20 DJED Cc1cccc(C2(CNc3cccc(C#N)n3)CCCCC2)c1 1650639043 PFAMXDBBRJCZGH-UHFFFAOYSA-N 305.425 4.576 30 20 DJED COc1cc(CSc2nc(C)cc(C)c2C#N)ccc1Cl 1651584099 LGXWIGSYQYTHRH-UHFFFAOYSA-N 318.829 4.524 30 20 DJED Cc1nc(N[C@@H]2c3ccccc3CC[C@@H]2C(C)C)ccc1C#N 1651725748 CUZBPGGJIUYQKC-XLIONFOSSA-N 305.425 4.633 30 20 DJED CC(C)(C)c1csc(CSc2cccc(F)c2C#N)n1 1652011425 ZWAPVBLEQJYNGM-UHFFFAOYSA-N 306.431 4.744 30 20 DJED CCCN(Cc1ccc(F)c(C#N)c1)[C@H]1CCc2ccccc21 1653226333 YCKRZHNMGVZQBC-FQEVSTJZSA-N 308.400 4.597 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1cccc(Cl)c1F 1654808781 GEUNHPRXCVDOLW-GFCCVEGCSA-N 302.780 4.544 30 20 DJED N#Cc1ccc(CCN[C@@H]2CCCC[C@H](c3ccccc3)C2)cc1 1656622234 FHSSVAKCSFXMLN-FCHUYYIVSA-N 318.464 4.807 30 20 DJED C=CCC1(C(=O)O)CCN([C@@H](CC)c2ccc(Cl)cc2)CC1 1776158082 NRSBKQZOTWJSDY-INIZCTEOSA-N 321.848 4.534 30 20 DJED CCCc1ccc(C(=O)/C=C/c2ccc(O[C@H](C)C#N)cc2)cc1 110969677 QBXGYJMTCZZVQW-SCZPIIQISA-N 319.404 4.826 30 20 DJED CC(C)n1cc(/C=C/C(=O)c2cc3cc(Cl)ccc3o2)cn1 171981702 JQUXEVAFHUGLJF-HWKANZROSA-N 314.772 4.760 30 20 DJED Cc1cc2cc(CNc3ccccc3O[C@H](C)C#N)oc2cc1C 181128330 HTEHDRYZHUZWBQ-OAHLLOKOSA-N 320.392 4.953 30 20 DJED C[C@@H](N[C@@H]1CCSc2ccccc21)c1ccc(C#N)c(F)c1 271938498 NXTFMLIYHIORED-SJKOYZFVSA-N 312.413 4.585 30 20 DJED N#CCCCCN[C@H]1CCCCc2cc(Br)ccc21 338775955 HXBVCJJZTIEYSH-INIZCTEOSA-N 321.262 4.500 30 20 DJED N#CCC[C@@H](NCc1cscc1C(F)(F)F)c1ccccc1 356130718 CPZHYHMEBPUODC-OAHLLOKOSA-N 324.371 4.902 30 20 DJED C[C@H](N[C@@H](CC(F)F)c1ccccc1)c1ccc(C#N)cc1F 421872464 GVRPYUPEGIGDIF-SJCJKPOMSA-N 318.342 4.744 30 20 DJED C=CCCCS(=O)(=O)Nc1c(C(C)C)cccc1C(C)C 427769273 VMPDKTRWCNCLPS-UHFFFAOYSA-N 309.475 4.641 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1 435729955 CBCKXFCCMMFKQJ-RQXATKFSSA-N 313.485 4.530 30 20 DJED COc1ccccc1[C@H](C)SCc1ccc(F)c(C#N)c1 468653282 UWRQQCQSJASJGI-LBPRGKRZSA-N 301.386 4.700 30 20 DJED CC(C)(C#N)CCCNC(C)(C)c1cccc(C(F)(F)F)c1 472247514 QPPSRQCQEYZUQN-UHFFFAOYSA-N 312.379 4.860 30 20 DJED CC(C)C[C@H]1CCCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 476295247 UIPAVZSTVHRNQM-GOSISDBHSA-N 312.457 4.529 30 20 DJED Cc1ccc2c(C(=O)Nc3ccc(CC#N)cc3)csc2c1 479629509 QUVQGQZCRLEEAS-UHFFFAOYSA-N 306.390 4.528 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1cc(C)n(C2CC2)c1C 484908031 QCSBPTYWCLYSDW-UHFFFAOYSA-N 314.473 4.648 30 20 DJED N#CCC[C@@H](Nc1cnc(-c2ccccc2)cn1)c1ccccc1 488132620 VKGNXYAONRIAOK-GOSISDBHSA-N 314.392 4.601 30 20 DJED Cc1ncc(CSc2nc(-c3ccccc3)ccc2C#N)s1 499300977 NJLBNXGLLUFALF-UHFFFAOYSA-N 323.446 4.678 30 20 DJED C=CCCC[C@@H](C)NC(=O)N1CC(C)(C)[C@@H]1c1cccs1 501550172 DMDUPZRBYNEJPV-HIFRSBDPSA-N 306.475 4.585 30 20 DJED CC[C@@H](C)CCC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 511728797 IULRPBCFTZSAJM-QMTHXVAHSA-N 313.228 4.501 30 20 DJED C=CCC[C@@H](NCc1cccc(OCC(F)F)c1)c1ccco1 513703729 ZLLWRVALQRQUKI-MRXNPFEDSA-N 321.367 4.721 30 20 DJED C=C(C)CN1CCC(N[C@@H](c2cccs2)C2CCCC2)CC1 537886082 AKIZUJYSCLFTMG-LJQANCHMSA-N 318.530 4.610 30 20 DJED C=CCSCc1ncc(-c2ccccc2Br)o1 538669245 YOANRFLDTLJNPK-UHFFFAOYSA-N 310.216 4.523 30 20 DJED C=CCCC[C@@H](C)NC(=O)N1CCC[C@H]1c1ccccc1C 539390048 JQEJDQLQJCETLX-AEFFLSMTSA-N 300.446 4.586 30 20 DJED C=CCCC[C@H](C)N[C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 540605825 LJIGDPMAEDXQIT-HOTGVXAUSA-N 317.477 4.612 30 20 DJED Cc1cccc2c1[C@H](C)C[C@@H]2NC1(c2cccc(C#N)c2)CC1 556606052 QUZHZSJTEIAZQE-BEFAXECRSA-N 302.421 4.694 30 20 DJED CC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cccc(Cl)c1 570131450 MYNVUHPNESLLRF-RBUKOAKNSA-N 310.828 4.940 30 20 DJED Cc1ccc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)s1 574964567 LCJFSDXCNYELEU-UHFFFAOYSA-N 321.405 4.728 30 20 DJED N#CCCCCCC(=O)N1C[C@@H](c2ccccc2)c2ccccc21 588165467 RWZUSRNEYCFHMO-IBGZPJMESA-N 318.420 4.639 30 20 DJED Cc1ccc([C@H](c2noc(CCCCCC#N)n2)C(C)C)cc1 589154803 GLKNOJNAMULLQU-GOSISDBHSA-N 311.429 4.792 30 20 DJED O=C1/C(=C\c2cnc(-c3ccccc3)s2)Cc2c(F)cccc21 727267242 QWBKTYQDHYYTJE-LCYFTJDESA-N 321.376 4.772 30 20 DJED Cc1cc(C(=O)/C=C/c2ccc(N3CCCCC3)cc2)ccc1O 728231946 OJYMFQUOVFSJRZ-YRNVUSSQSA-N 321.420 4.587 30 20 DJED CCC(=NNc1nc2ccccc2n1C)c1ccc(Cl)s1 733203334 DRQPVEXQUPTJRL-UHFFFAOYSA-N 318.833 4.514 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc(OC(F)F)c(F)c2)s1 754686088 SGCLCVBOEIWJGH-HYXAFXHYSA-N 312.312 4.693 30 20 DJED CCCn1nc(C)c(/C=C\C(=O)c2cc3ccc(C)cc3o2)c1C 754831226 YPEJOPGQDRELAK-HJWRWDBZSA-N 322.408 4.861 30 20 DJED CCOc1ccc(C(=O)/C=C/c2cnc(C(C)C)s2)cc1 758423364 XWRZYMUOAAVDCE-MDZDMXLPSA-N 301.411 4.561 30 20 DJED Cc1ccsc1C(=O)/C=C/c1ccc(F)c(C#N)c1Cl 761477355 NCTXBAAVCSWFPY-HWKANZROSA-N 305.761 4.617 30 20 DJED CC[C@@H](CC#N)NC(=O)Nc1ccc(N=Nc2ccccc2)cc1 763267645 NQJMTXKWVINIPR-AWEZNQCLSA-N 321.384 4.916 30 20 DJED CC[C@@H](NCc1ccc(C#N)cc1)c1cccc(Cl)c1F 763538782 NJOUETAJLJDYPN-MRXNPFEDSA-N 302.780 4.592 30 20 DJED CCCCCCCCCC(=O)N[C@@H]1CCOC2(CCCC2)C1 768375423 NHFPSDDWNCFWGL-QGZVFWFLSA-N 309.494 4.735 30 20 DJED Cc1ccccc1[C@H](C)CC(=O)OCCCCC(C)(C)C#N 768697648 WOTYLXNQCIOFIN-MRXNPFEDSA-N 301.430 4.752 30 20 DJED C=CC[C@@H](N[C@H](C)c1csc(C(C)C)n1)c1ccncc1 769419547 YTLRCYLKODWYTE-UKRRQHHQSA-N 301.459 4.630 30 20 DJED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1cscc1Cl 771861924 XNQCZISKMCIINQ-HYXAFXHYSA-N 307.758 4.514 30 20 DJED Cl/C=C/CON=C(Cc1ccccc1Cl)c1ccoc1 814934281 QSPIELZHKTXJMI-SDFNLXJVSA-N 310.180 4.649 30 20 DJED CC(/C=C/C(=O)c1ccc([N+](=O)[O-])cc1F)=C\c1ccccc1 821007221 GCDGZINIHBPLFZ-CWOSXULZSA-N 311.312 4.576 30 20 DJED CCC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 835201025 ROFNRSIXMNTINH-KBPBESRZSA-N 306.475 4.905 30 20 DJED CSc1ccc2cc(CSCCC#N)c(Cl)nc2c1 840214450 WBOQQHRIGBCXFJ-UHFFFAOYSA-N 308.859 4.757 30 20 DJED CCC[C@@H](CC)C(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1125028904 ZXRUMKXYJKNLIP-MRXNPFEDSA-N 323.440 4.731 30 20 DJED N#Cc1ccc(C2CCN(Cc3ccc4occc4c3)CC2)cc1 1138825197 OLQPDWUKPBTVGH-UHFFFAOYSA-N 316.404 4.684 30 20 DJED N#Cc1cnc(NC[C@@H]2CCC[C@@H]2c2ccccc2)c(Cl)c1 1163383709 LHKYLDIWVHNDHR-JKSUJKDBSA-N 311.816 4.602 30 20 DJED N#Cc1cnc(N2CCCCC[C@H]2/C=C\c2ccccc2)c(F)c1 1186060906 CHTXCJALQJIBIB-LENZSSGSSA-N 321.399 4.555 30 20 DJED Cc1ccc(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)cc1 1274493797 ZSFAKSPUYSVSRE-QWHCGFSZSA-N 324.449 4.866 30 20 DJED CCN(C(=O)c1cc(C#N)ccc1F)c1ccc2ccccc2c1 1357131523 IWJKIMNCUGFPEY-UHFFFAOYSA-N 318.351 4.517 30 20 DJED Cc1ccccc1[C@H](NC(=O)c1cc(C#N)ccc1F)C(C)(C)C 1435429675 ZLWRQQYJWLEKAJ-SFHVURJKSA-N 324.399 4.523 30 20 DJED N#Cc1ccc(COc2ccc(Cl)cc2C(F)(F)F)cc1 1459015285 LBRHBLKCGFIBPA-UHFFFAOYSA-N 311.690 4.809 30 20 DJED N#CC1(CCN[C@H]2CC3(CCC3)Oc3ccccc32)CCCCC1 1460749610 TXOVNKRDEVHFQA-SFHVURJKSA-N 324.468 4.887 30 20 DJED Cc1cccc2nc([C@@H](C#N)C(=O)[C@@H](C)CC3CCCCC3)[nH]c12 1523852125 KIAGTJFZQNFTLH-HOCLYGCPSA-N 323.440 4.654 30 20 DJED CN(C(=O)CC1(C#N)CCCCC1)C1CC(C)(C)CC(C)(C)C1 1528078346 KSOWWOMFEBBUQT-UHFFFAOYSA-N 318.505 4.914 30 20 DJED Cc1cc(CN(C)Cc2cccc(C#N)c2)ccc1C(F)(F)F 1560717816 ZLMNGPRZNWGWCX-UHFFFAOYSA-N 318.342 4.518 30 20 DJED N#Cc1ccc(CSc2cccc(F)c2)c(OC(F)F)c1 1640963313 AGQJGCXILFQFMI-UHFFFAOYSA-N 309.312 4.591 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1C[C@H](c2ccc(F)cc2)C[C@H]1C 1641808879 RKPGUOKLAYXXBJ-ZRGWGRIASA-N 308.400 4.636 30 20 DJED N#Cc1ccc(Oc2ccc(-c3ccc(Cl)s3)nn2)cc1 1651333063 UYTVBTLOFICIBU-UHFFFAOYSA-N 313.769 4.522 30 20 DJED C[C@H]1C[C@@H](C)C[C@H](Nc2c(Br)cccc2C#N)C1 1655164264 NANMNSRKIXWKGW-PJXYFTJBSA-N 307.235 4.557 30 20 DJED C[C@H]1C[C@@H](c2ccccc2)CN1Cc1ccc(Cl)cc1C#N 1657320285 ARBRHPINOILUCR-KBXCAEBGSA-N 310.828 4.590 30 20 DJED CCCCC1CCC(CNC(=O)Nc2ccc(C#N)cc2)CC1 1665021203 WDVPEXJJEQRHPH-UHFFFAOYSA-N 313.445 4.676 30 20 DJED CC(C)(C)C[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 1665385741 FKOWQXYKOJQQQN-LBPRGKRZSA-N 319.836 4.502 30 20 DJED CC(=NNc1ccccc1C(=O)O)c1sc2ccccc2c1C 1776030074 UOXXSRQDVQWJFZ-UHFFFAOYSA-N 324.405 4.744 30 20 DJED N#CC1(C(=O)Nc2ccc(SC3CCCC3)cc2)CCCC1 30510379 CKGMJGKGDVPBDP-UHFFFAOYSA-N 314.454 4.744 30 20 DJED COc1cccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)c1 57437930 MVXASYIWQBMREF-JXMROGBWSA-N 306.283 4.610 30 20 DJED CCOc1cccc2cc([C@H](C)NCCCC(C)(C)C#N)oc12 182649598 VATLTOYROZPPQA-AWEZNQCLSA-N 314.429 4.812 30 20 DJED N#C[C@H]1CCC[C@H](Nc2cccc(C3SCCS3)c2)C1 185736501 NYBJRPMEOCESJS-JSGCOSHPSA-N 304.484 4.659 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1ccc(CC)cc1 192535424 RPPRVNSGKDCQQH-UHFFFAOYSA-N 300.427 4.531 30 20 DJED COc1cc(C(=O)/C=C\c2cccc(F)c2F)ccc1SC 209919876 OTILEXYVADMYBB-VURMDHGXSA-N 320.360 4.591 30 20 DJED Cc1nn(Cc2ccccc2)c(C)c1/C=C\C(=O)c1cccs1 211716495 ZGDQQNUFCTWKCN-KHPPLWFESA-N 322.433 4.506 30 20 DJED N#C[C@@H]1CCC[C@@H](N[C@H](Cc2ccccc2)c2cccs2)C1 248851906 OVWNQGPKHRLSBK-KZNAEPCWSA-N 310.466 4.704 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2cccc(-c3cccnc3)c2)s1 255712349 PFUYDZINBXHNJY-VURMDHGXSA-N 316.385 4.578 30 20 DJED N#CCc1ccc(NC(=O)N2CCCC[C@@H]2c2ccccc2)cc1 274139882 ZMRVNRMZIOVYEV-LJQANCHMSA-N 319.408 4.512 30 20 DJED Cc1ccc(-c2nc(CNc3ccc(C#N)c(Cl)c3)co2)cc1 301441243 VTIWHUCTKLIDQK-UHFFFAOYSA-N 323.783 4.787 30 20 DJED N#Cc1c(Cl)nsc1Oc1cc(Cl)ccc1Cl 301936019 UEUVXDWPTZBPHS-UHFFFAOYSA-N 305.573 4.767 30 20 DJED Cc1cccc(C(=O)/C=C/c2ccc(OCC(F)(F)F)cc2)c1 303080247 UOHLYTCNTZQJDT-JXMROGBWSA-N 320.310 4.832 30 20 DJED CC[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1F 353280085 ZTEUEBDNWMURDT-RTBURBONSA-N 312.363 4.565 30 20 DJED CC(C)(C)CN(CCC#N)Cc1cc(Cl)cc2cccnc12 353419278 KFUKGOSUCOANPM-UHFFFAOYSA-N 315.848 4.650 30 20 DJED N#CC1(CSCc2coc(-c3c(F)cccc3F)n2)CCC1 419436942 DUMWEGFSCBNAID-UHFFFAOYSA-N 320.364 4.547 30 20 DJED C[C@H](Nc1nc2c(cc1C#N)CCC2)c1cc2cccc(F)c2o1 473905513 XQCKJKAQXJQJOL-NSHDSACASA-N 321.355 4.500 30 20 DJED CC(C)c1cccc(NC(=O)C[C@H](CC#N)c2ccccc2)c1 474197024 KOGPEFROEHBWGF-SFHVURJKSA-N 306.409 4.836 30 20 DJED Cc1cccc([C@H](C)NC(=O)C[C@H](CC#N)c2ccccc2)c1C 476062527 OSZSFZGLLFYMMC-HKUYNNGSSA-N 320.436 4.568 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@@H]2NC1(c2ccc(F)cc2)CC1 481995130 UVNNWQCYQFUZQO-FQEVSTJZSA-N 320.411 4.744 30 20 DJED Cc1cc(CN[C@H](C)c2ccc(OC(C)C)cc2)ccc1C#N 488110592 NBSSGTIKQXQVLZ-MRXNPFEDSA-N 308.425 4.505 30 20 DJED C[C@@H](Sc1cc(C#N)ccn1)c1ccccc1Br 513342575 GFSDFMPICZCLIU-SNVBAGLBSA-N 319.227 4.569 30 20 DJED Cc1cc([C@H](N[C@@H](C)c2ccc(C#N)cc2)C2CC2)ccc1F 539424208 KEDSBCVCKBZXBR-VBKZILBWSA-N 308.400 4.808 30 20 DJED C[C@H](N[C@@H](C)c1ccccc1C(F)(F)F)c1cccc(C#N)c1 540605128 CNGXVXHQAVKFNA-STQMWFEESA-N 318.342 4.989 30 20 DJED Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCC1CCC(C#N)CC1 561782012 KEWUODUKTKVIMW-PMTKGXAQSA-N 321.468 4.773 30 20 DJED C[C@@H](CC1CCCCC1)C(=O)N[C@](C)(C#N)C1CCCCC1 568312759 DYCOPQDKIXRGNV-HNAYVOBHSA-N 304.478 4.572 30 20 DJED CCOc1ccccc1[C@@H](CC)N[C@H]1CCc2ccc(C#N)cc21 574489890 YXGFMPKUWJBKCO-UXHICEINSA-N 320.436 4.685 30 20 DJED CC(C)c1ccc(CN(C(=O)CCCCCC#N)C2CC2)cc1 588748544 BDIWCTCZJFBOFP-UHFFFAOYSA-N 312.457 4.775 30 20 DJED CC1(C)CCC(C)(C)N(C(=O)C[C@H](CC#N)c2ccccc2)C1 600229775 XLEJUWNYRGMDPO-KRWDZBQOSA-N 312.457 4.501 30 20 DJED N#Cc1cnc(NCc2cccc(Cl)c2Cl)c(Cl)c1 608885292 IZVLJBWHEBIPRE-UHFFFAOYSA-N 312.587 4.526 30 20 DJED N#Cc1ccc(N2CCCc3sccc3C2)cc1C(F)(F)F 609448968 IUPUHZSNNIZOGN-UHFFFAOYSA-N 322.355 4.591 30 20 DJED CCCC(CCC)SCc1nnc(-c2cccc(C#N)c2)o1 610217699 FTDITHSWJQQTPT-UHFFFAOYSA-N 315.442 4.810 30 20 DJED CN(CCCCC(C)(C)C#N)Cc1ccc(C(F)(F)F)cc1 618271618 FXUKJMRTEKNJNO-UHFFFAOYSA-N 312.379 4.857 30 20 DJED C=CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2Cl)cc1 642004134 OIGRBBCKCDFPGN-UHFFFAOYSA-N 315.800 4.774 30 20 DJED C=CCC1(C(=O)N2CCCc3sccc3C2)CCCCC1 648286211 TVHLJNVHMVVZAG-UHFFFAOYSA-N 303.471 4.550 30 20 DJED O=C(/C=C/C1=Cc2ccccc2OC1)c1nc2ccccc2s1 726744133 UCNWKGSKEOGVOZ-MDZDMXLPSA-N 319.385 4.511 30 20 DJED CCCCCC[C@H](CC)C(=O)N[C@@H](C)c1ccc(C#N)cc1 735000155 ZUHHDALYBZTLCH-RDJZCZTQSA-N 300.446 4.732 30 20 DJED CCCCCCOc1ccc(/C=C/C(=O)c2cncs2)cc1 735793253 WBQCKZIMAMWPDK-DHZHZOJOSA-N 315.438 4.998 30 20 DJED C=CCCO[C@@H](C)C(=O)O[C@H](C)c1ccc(Cl)cc1Cl 743461490 CJAPWWPQNZZPMY-MNOVXSKESA-N 317.212 4.579 30 20 DJED CN(CCC#N)c1ccc(CNc2cccc3ccsc23)cc1 752100366 KUHYLEYCCVNADM-UHFFFAOYSA-N 321.449 4.863 30 20 DJED CC(C)c1ncc(/C=C/C(=O)c2cccc(OC(F)F)c2)s1 758425692 GTUMWUCOTHBTOG-VOTSOKGWSA-N 323.364 4.764 30 20 DJED CC(C)(C)c1ccc(C=NOCc2ncc(C(C)(C)C)o2)cc1 760419005 DSPJDUFQDKEOJQ-UHFFFAOYSA-N 314.429 4.820 30 20 DJED C=CC[C@@H]1N(C(=O)CCCCCCC(C)=O)CCCC1(C)C 768098570 QHPNEEQWNIVGNC-KRWDZBQOSA-N 307.478 4.509 30 20 DJED C#CCCCCCC(=O)N(C1CC1)[C@@H](C)c1ccc(Cl)cc1 779807746 MXDKZJJJZMRVAM-HNNXBMFYSA-N 317.860 4.976 30 20 DJED CC[C@H](C)c1ccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 780165935 STYXFOZSFXOSML-GJZGRUSLSA-N 322.408 4.743 30 20 DJED Cn1cc(C(=O)/C=C/c2ccc3cnccc3c2)c2ccccc21 782324802 HBMKMNQHCIZFPF-VQHVLOKHSA-N 312.372 4.623 30 20 DJED COc1cc(C)c(/C=C\C(=O)c2csc(Cl)c2)cc1OC 787185640 HTUDIMHKCIFQOI-PLNGDYQASA-N 322.813 4.623 30 20 DJED C=C[C@H](CC(=O)O[C@H](CC)c1ccc(F)cn1)c1ccccc1 803045544 HRJIBGOQKHFOKQ-RDTXWAMCSA-N 313.372 4.575 30 20 DJED Cc1nn(C)c2sc(C(=O)/C=C/c3ccccc3C3CC3)cc12 806576485 CKOCDHLXOLIZEH-MDZDMXLPSA-N 322.433 4.717 30 20 DJED COc1cccc(/C=C/C(=O)c2c(F)cccc2Cl)c1F 809159605 SKORQJPYIMRYKP-CMDGGOBGSA-N 308.711 4.523 30 20 DJED C[C@@H]1CCCC[C@@H]1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 819947026 SGRWUGBTQQKELZ-KBMXLJTQSA-N 324.449 4.813 30 20 DJED Cn1ncc(C2CC2)c1/C=C\C(=O)c1ccc(Cl)c(Cl)c1 849241330 CWWKPFLGWXLZKA-SREVYHEPSA-N 321.207 4.500 30 20 DJED CCCCc1nc(CSc2ccc(C#N)c(C)c2)cs1 1189582873 LCYQZXFDYGPIKA-UHFFFAOYSA-N 302.468 4.958 30 20 DJED CCOc1ccc(C#N)cc1N[C@H]1CC[C@H](CCC(C)C)C1 1205347279 MBYYKMHYHMJKIZ-RDJZCZTQSA-N 300.446 4.974 30 20 DJED C[C@@H](Nc1c(C#N)cnc2c(Cl)cccc12)c1cccc(O)c1 1307094369 PKCPOHCVVMIVMO-LLVKDONJSA-N 323.783 4.639 30 20 DJED CC[C@@H](C)[C@H](c1ccccc1)c1nnc(-c2ccc(C#N)cc2)o1 1322510487 RHWRNVVQBHOIIG-RDTXWAMCSA-N 317.392 4.786 30 20 DJED N#Cc1ccc(F)c(CNc2cc3ccccc3c(Cl)n2)c1 1333717703 BYSIJWHIBAHNMA-UHFFFAOYSA-N 311.747 4.511 30 20 DJED CCC[C@H](C(=O)Nc1cc(C(C)(C)C)sc1C#N)C(C)C 1358071170 BOABATUMAUYVRZ-LBPRGKRZSA-N 306.475 4.928 30 20 DJED CC[C@@H](Cc1ccccc1C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 1533619889 UMHUNYHQIVDFLX-WMZOPIPTSA-N 321.420 4.740 30 20 DJED C[C@@H](OC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccc(C#N)c1 1534857041 IRWSEYCKOJSOBY-IWKCEXAMSA-N 311.425 4.769 30 20 DJED CC[C@@H](OC(=O)c1sccc1C#N)c1c(F)cccc1Cl 1544545289 FCSIBZYFONLAMR-GFCCVEGCSA-N 323.776 4.720 30 20 DJED C[C@@H]1C[C@H](c2ccccc2)N(c2nc(C(C)(C)C)ccc2C#N)C1 1612362388 NPZGGCUYEBTGMT-CRAIPNDOSA-N 319.452 4.838 30 20 DJED Cc1ccc(C)c(C2CCN(Cc3cccc(C#N)c3)CC2)c1 1620647454 SKWCBMCXXKWCEB-UHFFFAOYSA-N 304.437 4.555 30 20 DJED CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNc1c(C#N)nnc2ccccc12 1642172382 DMAISGSFVFSQCE-OWCLPIDISA-N 322.456 4.622 30 20 DJED CC(C)(C)c1ccc(C(C)(C)CNc2cccc(C#N)n2)cc1 1642522282 STKDDJBLYZKCIH-UHFFFAOYSA-N 307.441 4.640 30 20 DJED C[C@H](CNCc1ccc(C#N)c(Cl)c1)CC1CCCCC1 1650999073 UPSVECYTYHDHGU-AWEZNQCLSA-N 304.865 4.908 30 20 DJED CC(C)(C)[C@@H]1CCC[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N 1651137900 DFCZZPIJGBVRTJ-NEPJUHHUSA-N 311.351 4.599 30 20 DJED CC(C)(C)[C@@H]1CCC[C@H]1Nc1nc(C(F)(F)F)ccc1C#N 1651137903 DFCZZPIJGBVRTJ-VXGBXAGGSA-N 311.351 4.599 30 20 DJED CC(C)(C)c1ccc(C#N)c(NC2CC(c3ccccc3)C2)n1 1651787719 KQGYTFHLQUBFOI-UHFFFAOYSA-N 305.425 4.609 30 20 DJED Cc1cccc([C@H]2CCCCN2Cc2cccc(C#N)c2)c1C 1652575395 KOATYDNNUFSXFJ-OAQYLSRUSA-N 304.437 4.902 30 20 DJED N#Cc1ccc(CCN[C@H](c2ccccc2)C2CCCC2)cc1 1653664992 TUSDXGURZVYRFW-OAQYLSRUSA-N 304.437 4.622 30 20 DJED N#Cc1nc(N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)sc1Cl 1655410857 AAAHXTVDTGQBLL-HOMQSWHASA-N 324.236 4.680 30 20 DJED CCCN(Cc1cccc(F)c1C#N)[C@H]1CCc2ccccc21 1658509785 CUEFNYRBKQJSOC-FQEVSTJZSA-N 308.400 4.597 30 20 DJED Cc1c(NN=CCc2ccc(C(C)(C)C)cc2)cccc1C(=O)O 1776087946 GOVKZRTYPAUGMM-UHFFFAOYSA-N 324.424 4.631 30 20 DJED COc1ccc2cc(/C=C3\Cc4ccccc4C3=O)ccc2c1 5128887 XNDLQGDZLNNOIM-WOJGMQOQSA-N 300.357 4.671 30 20 DJED N#Cc1ccc(CNC(=O)c2ccc(C3CCCCC3)cc2)cc1 43748536 RMYCTJHDNFXFLZ-UHFFFAOYSA-N 318.420 4.536 30 20 DJED Cc1cccc([C@@H]2CCCN2C(=O)Nc2cc(C#N)ccc2C)c1 58451885 UKRAGHSLAQAPTB-IBGZPJMESA-N 319.408 4.544 30 20 DJED N#Cc1ccc(Cl)cc1N[C@H](c1ccccc1)c1ccccn1 78971263 JJSGUDXGSIGNDK-LJQANCHMSA-N 319.795 4.808 30 20 DJED C=CCCC(=O)Nc1ccc2cc(Br)ccc2c1 130628532 ZUTITFUITJQCBB-UHFFFAOYSA-N 304.187 4.507 30 20 DJED C=CCC(CC=C)C(=O)N(C)[C@H](C)c1nc2ccccc2s1 176897279 RTZFBBPATDNQEG-CYBMUJFWSA-N 314.454 4.584 30 20 DJED CC(C)C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccccn1 179818681 DANCAVFXSOLYQT-HXUWFJFHSA-N 323.440 4.963 30 20 DJED N#CCCSc1ccccc1NC(=O)C=C1CCCCC1 264523974 LNEMHLRKLDFGBE-UHFFFAOYSA-N 300.427 4.521 30 20 DJED CCc1nsc(Oc2ccc(Oc3ccc(C#N)cc3)cc2)n1 301959925 PQFQLYLCNUMFRJ-UHFFFAOYSA-N 323.377 4.557 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)CCCC2 319831620 NFQLFMCCDJVBDX-CVEARBPZSA-N 304.437 4.849 30 20 DJED CCC[C@H](CC1CCCCC1)/C(O)=N/[C@@H]1CCc2c[nH]nc2C1 329860464 PLLHQXOQFVDZNH-NVXWUHKLSA-N 317.477 4.610 30 20 DJED N#Cc1ccc(NCc2nc(C3CC3)cs2)cc1C(F)(F)F 342560726 AXRKPNMPPAZWPI-UHFFFAOYSA-N 323.343 4.523 30 20 DJED CC(C)[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 424332434 SZEQHXZEXGEODL-APHBMKBZSA-N 310.363 4.684 30 20 DJED N#C[C@@H]1CN([C@H]2CCc3ccc(Cl)cc32)C[C@H]1c1ccccc1 429021108 PAVLNUCUABZGEQ-UXPWSPDFSA-N 322.839 4.566 30 20 DJED Cc1c(C#N)cccc1NC(=O)N(Cc1ccccc1)CC(C)C 432282926 KIMLSXZYGPJWSO-UHFFFAOYSA-N 321.424 4.557 30 20 DJED N#CCCCOc1cccc(NCc2cc3c(F)cccc3[nH]2)c1 436282526 RHBYCMPRAXREHK-UHFFFAOYSA-N 323.371 4.602 30 20 DJED Cc1ccc(-c2nc(COc3ccc(C#N)c(Cl)c3)co2)cc1 438888015 SPYRMNHKIOKDCR-UHFFFAOYSA-N 324.767 4.754 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1csc(C(C)(C)C)n1 482776351 MNVUTAIMHFLADG-UHFFFAOYSA-N 320.502 4.649 30 20 DJED CC(C)CN(CCCCC#N)Cc1ccccc1Br 483537820 QOIGFGLJOYWXOO-UHFFFAOYSA-N 323.278 4.601 30 20 DJED C=CCOc1cccc(NC(=O)N(CC)CC(CC)CC)c1 511018218 RGGYWIMXJXJSDY-UHFFFAOYSA-N 304.434 4.541 30 20 DJED C=CC[C@H](C)NC(=O)c1cccc(F)c1Sc1ccccc1 512057500 NCJXQMFWWVAVHO-ZDUSSCGKSA-N 315.413 4.671 30 20 DJED C[C@H]1CCCC[C@@H]1CCNCc1cccc(OCCCC#N)c1 512224476 IQBZOARKXBDJSX-PKOBYXMFSA-N 314.473 4.675 30 20 DJED Cc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 519905806 LHGUIJABXDGRLS-UHFFFAOYSA-N 321.424 4.557 30 20 DJED C=CC[C@H](C)[C@H](C)NCc1cccc(COCc2ccco2)c1 532193094 OLTDLXCRTXTXNY-IRXDYDNUSA-N 313.441 4.687 30 20 DJED C=CCN(Cc1ccccc1)C(=O)C[C@H](C=C)c1ccccc1 533924860 GAVYLDZQRLXWIZ-IBGZPJMESA-N 305.421 4.561 30 20 DJED C=C[C@@H](CC(=O)N(Cc1ccc(F)cc1)C1CC1)c1ccccc1 536166363 UFVKUPWHBDHCGN-KRWDZBQOSA-N 323.411 4.677 30 20 DJED C=CCCC[C@@H](C)N[C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 540605824 LJIGDPMAEDXQIT-CVEARBPZSA-N 317.477 4.612 30 20 DJED C[C@@H](Nc1cccc(C#N)n1)c1ccc(-c2cccc(C#N)c2)cc1 543896784 XVYUJGDRTYXOHT-OAHLLOKOSA-N 324.387 4.665 30 20 DJED N#Cc1ccc(-c2ccccc2)nc1SCCC1CCOCC1 565468244 GSENGICKXSPSNH-UHFFFAOYSA-N 324.449 4.529 30 20 DJED CC(C)(CCC#N)CNC(=O)C1(C2CCCCC2)CCCCC1 583653966 RWDUHSWYWVIJFY-UHFFFAOYSA-N 318.505 4.963 30 20 DJED Cc1cccc2sc(C(=O)N[C@](C)(C#N)C(C)C)c(Cl)c12 602218269 UOFODFWWYCJZSM-MRXNPFEDSA-N 320.845 4.531 30 20 DJED C=CC[C@H](C)NC(=O)Nc1ccc(C)cc1OCc1ccccc1 604905969 SIIAJHSCNXYPAK-INIZCTEOSA-N 324.424 4.660 30 20 DJED C=CCCCN(C)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl 605645009 KZGLGLHNUWBYIU-STQMWFEESA-N 312.240 4.522 30 20 DJED Cc1cccc2sc(C(=O)N[C@H](C#N)CC(C)C)c(Cl)c12 608821424 WEJRKQCJAHAAIK-NSHDSACASA-N 320.845 4.531 30 20 DJED C=CCCCSCC(=O)N[C@@H](CC(C)C)c1ccccc1 609804732 CXTWVQAHEGVTDQ-KRWDZBQOSA-N 305.487 4.589 30 20 DJED Cc1ccc(-c2cccnc2)cc1N[C@H](C#N)Cc1ccccc1 619468431 MAERUQUKEDEUDD-FQEVSTJZSA-N 313.404 4.604 30 20 DJED CCn1nc(C)c(/C=C\C(=O)c2cc(Cl)ccc2Cl)c1C 727975169 AZOAHNYXSMDVJV-VURMDHGXSA-N 323.223 4.723 30 20 DJED C#Cc1cccc(N(C)C(=O)c2ccc3c(c2)-c2ccccc2C3)c1 728482146 LUCMVLAKASTDBH-UHFFFAOYSA-N 323.395 4.516 30 20 DJED CCOc1ccccc1C=NOCc1ccc2ccccc2c1 739899487 OZYGQHPVYJNDTO-UHFFFAOYSA-N 305.377 4.789 30 20 DJED COCc1cccc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)c1 742433133 QLKWGKXVMZJIRM-BJMVGYQFSA-N 320.310 4.748 30 20 DJED CCCCC[C@@H](C)CC(=O)Nc1sc2c(c1C#N)CCC2 744351426 LDZZZNGNNFZFTH-GFCCVEGCSA-N 304.459 4.653 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)C[C@@H](C)CC(C)(C)C)n1 747193663 MBACAFAILIPQIC-CHWSQXEVSA-N 306.475 4.905 30 20 DJED CSc1ccc2c(c1)CC/C(=C\c1ccc(N(C)C)cc1)C2=O 748145885 CKGJUYBYMQNUFK-FOWTUZBSSA-N 323.461 4.687 30 20 DJED N#Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)s1 749309487 RQXWMUNOURCLKM-UHFFFAOYSA-N 304.374 4.539 30 20 DJED CC1(CC(=O)[C@@H](C#N)c2ccc3ccccc3n2)CCCCC1 753537548 RFRVWVGKRYINEL-INIZCTEOSA-N 306.409 4.772 30 20 DJED CC(C)(C#N)CCCCOC(=O)C1(Cc2ccccc2)CCC1 768772938 UCYDHVXCQKMYLC-UHFFFAOYSA-N 313.441 4.663 30 20 DJED C=CCN(Cn1c(-c2ccccc2)csc1=S)C1CC1 771643257 YXEBIZPUEAHOPA-UHFFFAOYSA-N 302.468 4.554 30 20 DJED C/C=C(\CC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 788797436 GNWVHZJOYFPEHI-AYSLTRBKSA-N 320.392 4.954 30 20 DJED C=CCOc1ccc(CN[C@H](CC)c2ccc(N(C)C)cc2)cc1 797006620 KEYBPHJFHZLAQA-OAQYLSRUSA-N 324.468 4.558 30 20 DJED Cc1cc(C(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)no1 798231780 XXYXBEGYSNHTON-SOFGYWHQSA-N 313.740 4.793 30 20 DJED C=C(C)CN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S 814290760 MKOCQVYRRJNTCF-DHDCSXOGSA-N 317.479 4.587 30 20 DJED CSC(C)(C)CC=NNc1ccc(C#N)cc1C(F)(F)F 814923331 DUJSHGQDQCGYJV-UHFFFAOYSA-N 315.364 4.506 30 20 DJED CSCc1cnc(/C=C2/C[C@H](C)c3ccccc3C2=O)s1 834430754 XNHZBYKHHPWBIM-LCFDYFRESA-N 315.463 4.780 30 20 DJED O=C(/C=C/c1ccccc1C(F)(F)F)c1ccc2c(c1)CCO2 834869984 FHQBIHXUTOMELP-FNORWQNLSA-N 318.294 4.536 30 20 DJED Cc1ccc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c(O)c1C 841763009 SWNMJMLTXNTAAZ-YWZLYKJASA-N 320.436 4.609 30 20 DJED CCSc1nnc(SCCCCC2(C#N)CCC2)s1 901361070 QMNUSJIBJZRPMW-UHFFFAOYSA-N 313.517 4.606 30 20 DJED CC(=NNc1ccc(Cl)c(Cl)c1)c1ccccc1[N+](=O)[O-] 916250043 UGJKCABIDGBBRG-UHFFFAOYSA-N 324.167 4.738 30 20 DJED CCN(Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1C#N 917048729 MRUXIPTWDBQFQV-UHFFFAOYSA-N 318.342 4.599 30 20 DJED C=CCN(CC(=O)Nc1c(C(C)C)cccc1C(C)C)C(C)C 917069329 NPJMHBLKYAEFQJ-UHFFFAOYSA-N 316.489 4.768 30 20 DJED O=C(/C=C\c1ccccc1F)c1ccc(OCC(F)(F)F)cc1 920480332 DROXAKJUAPZJQW-YFHOEESVSA-N 324.273 4.663 30 20 DJED N#Cc1ccccc1Sc1ccc(-c2nnc(C3CC3)o2)cc1 1118412366 JMPXEJGFKWCNDS-UHFFFAOYSA-N 319.389 4.637 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc2sccc2c1 1129983504 DRKACKRNYDPGCN-ZDUSSCGKSA-N 320.417 4.606 30 20 DJED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(C(F)F)cc2)cc1 1134356018 AWVBJSUAIHJWAZ-UHFFFAOYSA-N 314.335 4.678 30 20 DJED CC(C)(C#N)c1ccccc1CN(CCc1ccccc1)C1CC1 1176414532 YDINBPRULOBWQZ-UHFFFAOYSA-N 318.464 4.695 30 20 DJED CC1(C#N)CCC(NCC2(c3ccc(F)cc3)CCCC2)CC1 1177281910 CRDUBFMOPFARSH-UHFFFAOYSA-N 314.448 4.700 30 20 DJED C[C@@H](Sc1cccc(F)c1C#N)c1nccn1-c1ccccc1 1189432126 ADMGHEIPCQNDPQ-CYBMUJFWSA-N 323.396 4.736 30 20 DJED COc1ccc([C@@H](NCCC2(C#N)CCCCC2)C2CC2)cc1 1192585370 UMVXOWVIIANXCX-IBGZPJMESA-N 312.457 4.600 30 20 DJED Cc1ccc(C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)cc1C#N 1264576927 LLGJOEZCLPITKM-GOSISDBHSA-N 324.399 4.523 30 20 DJED Cc1ccc(C(=O)OCc2ccc(CC#N)cc2)c2ccccc12 1266639918 KVPOCINBERDOQU-UHFFFAOYSA-N 315.372 4.571 30 20 DJED CC(C)(C)c1ccc(C#N)c(NC2(Cc3ccccc3)CCC2)n1 1307103111 IABMYGLQLLLHJW-UHFFFAOYSA-N 319.452 4.828 30 20 DJED CCSc1ccccc1CSc1nc(C)cc(C)c1C#N 1307248453 OOVFEWRRQIUGAE-UHFFFAOYSA-N 314.479 4.974 30 20 DJED C[C@@H](SCc1cccc(C#N)c1)c1nccn1-c1ccccc1 1323371134 SQMAVWWTTNKWFZ-OAHLLOKOSA-N 319.433 4.738 30 20 DJED CCCCCCCC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 1326910543 LDGWDUZEWHHGNE-CYBMUJFWSA-N 310.507 4.978 30 20 DJED CC[C@H](C)N(CC)C(=O)Nc1ccccc1SC[C@@H](C)C#N 1333196701 WPZBOAJQRGRSOF-KBPBESRZSA-N 319.474 4.591 30 20 DJED CCCN(C(=O)c1cc(C#N)ccc1C)[C@H](CC)c1ccccc1 1353443646 KMPSHGJZXDZJNC-HXUWFJFHSA-N 320.436 4.870 30 20 DJED CC(C)[C@H](Cc1ccccc1)C(=O)O[C@@H](C)c1cccc(C#N)c1 1435508848 QEKPBXYFXSPGFI-JXFKEZNVSA-N 321.420 4.677 30 20 DJED Cc1ccc(C#N)c(N[C@H]2C[C@@H](c3ccccc3)C[C@@H](C)C2)n1 1458430089 DKYDKQOZXOHHSP-MDASCCDHSA-N 305.425 4.646 30 20 DJED N#CC1(CC(=O)OCc2csc3ccccc23)CCCCC1 1460617783 MLULHIVUTUMRSP-UHFFFAOYSA-N 313.422 4.809 30 20 DJED Cc1ccccc1CSc1c(Br)cccc1C#N 1472636887 YPNVZAWYBBCLEI-UHFFFAOYSA-N 318.239 4.922 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1SCc1ccco1 1472639562 DJQLWCQVUVNRLT-UHFFFAOYSA-N 300.770 4.645 30 20 DJED Cc1cc(NCCc2ccc(-c3ccccc3)cc2)ncc1C#N 1472724548 WDOYPOIZYATWIY-UHFFFAOYSA-N 313.404 4.583 30 20 DJED CCC[C@@H]1CCc2ccccc2N1Cc1cccc(C#N)c1F 1473253649 SLXXUJLLDRAHPY-GOSISDBHSA-N 308.400 4.819 30 20 DJED C[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 1528199786 RWVCVLMPUKLFAN-GJZGRUSLSA-N 320.392 4.725 30 20 DJED Cc1c(C#N)cccc1NC(=O)C[C@H](c1ccccc1)C(C)C 1544115289 YFDGABYCEAVGQS-SFHVURJKSA-N 306.409 4.635 30 20 DJED CC(C)CC1(C)CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 1570040976 VLHLGWBBEKAEAU-UHFFFAOYSA-N 318.848 4.500 30 20 DJED C[C@H](C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1ccc2ccccc2c1 1596977860 JCNQQWKEOQAYGX-YZVOILCLSA-N 307.393 4.569 30 20 DJED CN(C(=O)CC1(C#N)CCCCC1)[C@@H]1CCC[C@H]1C(C)(C)C 1639425114 OTAGBAAGXDBDOC-HZPDHXFCSA-N 304.478 4.524 30 20 DJED CC(C)CN(Cc1ccc(Cl)s1)c1ccc(C#N)cc1 1644855823 NVZFONCTSCALRL-UHFFFAOYSA-N 304.846 4.936 30 20 DJED N#Cc1cccc(CN[C@@H](CC2CCCC2)c2ccccc2)c1 1645106259 PJUQUYGNKQLNEX-NRFANRHFSA-N 304.437 4.969 30 20 DJED C[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1C#N)C1CC1 1645575284 PNSVDKJBTGEROZ-AWEZNQCLSA-N 310.828 4.937 30 20 DJED CCC1CCC(N(Cc2ccc(C#N)cc2OC)C2CC2)CC1 1653176063 XCHHBEMEOXSKOF-UHFFFAOYSA-N 312.457 4.500 30 20 DJED CCOc1ccc([C@H]2CCCN2Cc2ccc(C#N)c(C)c2)cc1 1658727252 JNODISBWBLHFJK-OAQYLSRUSA-N 320.436 4.603 30 20 DJED N#Cc1ccc(NC(=O)NCC2CCCCCCC2)cc1Cl 1667342388 ZYRAKRNRDUNGSN-UHFFFAOYSA-N 319.836 4.694 30 20 DJED CC(=NNc1ccc(C(=O)O)cc1)[C@@H](C)c1ccc(Cl)cc1 1776012509 BESXYIISEJCUBY-LLVKDONJSA-N 316.788 4.630 30 20 DJED Cc1c(NN=C(CC(C)(C)C)c2ccccc2)cccc1C(=O)O 1776086640 GERCGNYTILRRJB-UHFFFAOYSA-N 324.424 4.946 30 20 DJED CC(CCCCCCC(=O)O)=NNc1cc(F)cc(Cl)c1 1776091197 ABHCAALDMMWRQB-UHFFFAOYSA-N 314.788 4.692 30 20 DJED Cc1cccc(C(=O)/C=C\c2csc3ccc(C(=O)O)cc23)c1 1776126994 DLKWBDYVUDWBQJ-ALCCZGGFSA-N 322.385 4.804 30 20 DJED CCCCc1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc1 13060033 RFLVBHKFQQYYGI-NTEUORMPSA-N 308.377 4.624 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCc1ccc(F)cc1F 84919150 HIXRBFSQTUSDAN-LBPRGKRZSA-N 318.392 4.971 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)CC1=CCCCC1 108237150 IXZJVQCEMBXOIO-AWEZNQCLSA-N 314.454 4.767 30 20 DJED CC[C@@H](C)CN(C)C(=O)Nc1ccccc1S[C@H](C)CC#N 111766934 JPHMVQUDEJRLLK-ZIAGYGMSSA-N 319.474 4.591 30 20 DJED CCC(CC)CN(CC)C(=O)Nc1ccc(C(C)(C)C#N)cc1 119313777 RAMXSDBXKDHPDH-UHFFFAOYSA-N 315.461 4.778 30 20 DJED C=CCCCC(=O)Nc1ccc(SCc2cccnc2)cc1 175158818 QBXZNKUJVUIHSL-UHFFFAOYSA-N 312.438 4.669 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)[C@H]2CCCC(C)(C)C2)n1 179409416 VFRBKAKFUSPULB-STQMWFEESA-N 304.459 4.659 30 20 DJED C=C[C@@](C)(CC)C(=O)N1CCC(c2c(C)[nH]c3ccccc23)CC1 190834090 XMTQTLMNRGITIB-NRFANRHFSA-N 324.468 4.785 30 20 DJED Cc1cc([C@@H](C)Nc2ccc(C#N)c(Br)c2)c(C)o1 228183998 RMEBOQRRQSSXAS-SNVBAGLBSA-N 319.202 4.704 30 20 DJED Cc1ccc(CNc2cccc(OCCCC#N)c2)cc1Cl 318614975 JHHWTOJDBPURRI-UHFFFAOYSA-N 314.816 4.943 30 20 DJED C[C@H]1CC(/C(O)=N/[C@@H]2CCC(O)=N[C@H]2C(C)(C)C)C[C@H](C)C1 329262268 GDDCYBYJWZVCSX-ZNEHSRBWSA-N 308.466 4.549 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@H]1CCc2ccc(C#N)cc21 353429230 TUJDVLYXUDHSJZ-OALUTQOASA-N 320.436 4.750 30 20 DJED CC(C)c1ccoc1C(=O)Nc1scc(C(C)(C)C)c1C#N 410933025 VSHOGNJUEPEANS-UHFFFAOYSA-N 316.426 4.886 30 20 DJED CN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCC(C)(C)C1 431807813 AMIAIGDQEZQZKX-MRXNPFEDSA-N 313.445 4.530 30 20 DJED CC(C)(CN[C@@H]1CC[C@@H](C#N)C1)c1ccc(Cl)c(Cl)c1 442781029 NRSLHUHGZQJVLG-DGCLKSJQSA-N 311.256 4.553 30 20 DJED CC(C)(CN[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)c(Cl)c1 442781031 NRSLHUHGZQJVLG-WCQYABFASA-N 311.256 4.553 30 20 DJED C=CCC(CC=C)C(=O)NCC(c1ccccc1)c1ccccc1 467738949 ANZMBVZWFAAKTA-UHFFFAOYSA-N 319.448 4.703 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H]2CCC[C@@H]21 475583367 MTAYPTUBTJYUJF-QAPCUYQASA-N 312.457 4.945 30 20 DJED CC(C)(C#N)CCCN1CCC(c2ccc(Cl)cc2)CC1 481812162 DBOYPLPPPGUPNN-UHFFFAOYSA-N 304.865 4.849 30 20 DJED Cc1ccccc1O[C@@H]1CCCC[C@@H]1NCCCC(C)(C)C#N 484632458 ANICGVINKMBEHY-PKOBYXMFSA-N 314.473 4.605 30 20 DJED C=CC[C@@H](C)N[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 523935669 BRXFPJKASSPPAL-FOIQADDNSA-N 318.420 4.646 30 20 DJED CCC[C@H](C)N(C)C(=O)c1ccccc1Oc1ccccc1C#N 540873684 KEUMTZFBSXGKSC-HNNXBMFYSA-N 322.408 4.611 30 20 DJED C[C@H](Nc1ncccc1F)c1ccc(-c2cccc(C#N)c2)cc1 543896010 LHZMEGJHYVICBM-AWEZNQCLSA-N 317.367 4.932 30 20 DJED C=CCCN[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 544471480 SNNQPFZMWCWEOV-NSHDSACASA-N 306.862 4.999 30 20 DJED C=CCOc1cccc(CNC2(c3ccc(Cl)cc3)CC2)c1 557787561 JTIRXKANEPAZTI-UHFFFAOYSA-N 313.828 4.684 30 20 DJED CC[C@H](NCc1ccc(C(C)(F)F)cc1)c1ccc(C#N)cc1 559879159 ZIZGPPHDIYPMAZ-SFHVURJKSA-N 314.379 4.911 30 20 DJED CC[C@H](NC1(c2cccc(C#N)c2)CC1)c1cc(C)ccc1OC 560266712 PRENGBQATYNASC-IBGZPJMESA-N 320.436 4.605 30 20 DJED CCC(C)(C)c1ccc(C(=O)N2CCC(CCC#N)CC2)cc1 583996439 RLPTZBFZMANWJW-UHFFFAOYSA-N 312.457 4.530 30 20 DJED C=C(C)COc1cccc(NC(=O)c2cc3cc(C)ccc3o2)c1 589384129 NJAMTUSIBWAHID-UHFFFAOYSA-N 321.376 4.948 30 20 DJED C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC(CCC#N)CC1 592136067 AGKUDOLCAIDBPT-CYBMUJFWSA-N 310.363 4.782 30 20 DJED C=CCN(Cc1cccs1)C(=O)C[C@@H](C)c1ccccc1C 604695015 KNJKYNCULKTPQF-MRXNPFEDSA-N 313.466 4.765 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)C1CCCC1 610522700 OAHHTOLLPFSZTG-KBPBESRZSA-N 316.470 4.703 30 20 DJED Cc1ccc(C[C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)s1 611393644 YQBYJRPXJXMOFB-YJYMSZOUSA-N 310.466 4.526 30 20 DJED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(C2CCC2)no1 685241850 WITBHPXWKMZCGH-UHFFFAOYSA-N 324.302 4.588 30 20 DJED O=C(/C=C\c1coc(-c2ccccc2)n1)c1coc2ccccc12 747705392 NLWTUCQMICKLTG-KHPPLWFESA-N 315.328 4.984 30 20 DJED COc1ccc(C)cc1/C=C/C(=O)c1c[nH]c2cc(F)ccc12 749454400 ZCPSYGNPVWQQQZ-QPJJXVBHSA-N 309.340 4.520 30 20 DJED O=C1/C(=C/c2cc3ccccc3o2)CCOc2ccc(F)cc21 750904061 DWAMRHCHWYXPOZ-JLHYYAGUSA-N 308.308 4.621 30 20 DJED N#Cc1ccccc1/C=C\C(=O)c1cc(Cl)ccc1Cl 755571318 YDHZRFMEIMYULA-YVMONPNESA-N 302.160 4.761 30 20 DJED Cc1cc(C#N)ccc1CN[C@@H](C)c1csc2ccccc12 776800610 RRAQXKZDGQMMMN-AWEZNQCLSA-N 306.434 4.932 30 20 DJED Cc1c(C(=O)/C=C/c2ccccc2C(F)(F)F)cnn1C(C)C 787186532 KEZRCVGVCKEILC-CMDGGOBGSA-N 322.330 4.687 30 20 DJED C/C=C(/CC)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 788838930 KMAWGFCWZKDMHL-CQPUUCJISA-N 306.365 4.645 30 20 DJED Cc1nn(C(C)C)cc1/C=C/C(=O)c1cccc(C(F)(F)F)c1 798369793 RYCXHBFVMWEGHS-BQYQJAHWSA-N 322.330 4.687 30 20 DJED CCCCCCCCCCC(=O)N1CCCC[C@@H]1c1cc[nH]n1 804278273 SJTXTUCSSNCVQV-GOSISDBHSA-N 319.493 4.994 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1N[C@@H]1CCc2ccccc21 864002612 QGHNDHXUUMNLMF-QGZVFWFLSA-N 319.795 4.859 30 20 DJED CCCCCCCC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 888757205 MJKGBNKCPFMYPE-LJQANCHMSA-N 303.446 4.623 30 20 DJED CC(=NNc1nc(Cl)c(Cl)cc1Cl)c1cccs1 916319538 YIAVQOSTXCZDTD-UHFFFAOYSA-N 320.632 4.939 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccc(CF)cc1 1190616407 NQROVLWLTXOHCJ-UHFFFAOYSA-N 310.416 4.686 30 20 DJED CCC[C@H](Cc1ccccc1)N[C@@H]1CCCc2cc(C#N)ccc21 1308825323 LZMPJPCWJRLAAF-IFMALSPDSA-N 318.464 4.937 30 20 DJED C[C@@H](CC#N)N(C)Cc1ccc(-c2cc(Cl)ccc2Cl)o1 1319703082 XYVNZTFIGQVJEI-NSHDSACASA-N 323.223 4.987 30 20 DJED N#CCOc1ccc(NCc2ccc(C3CCCC3)cc2)cc1 1330081695 OYVSRMNZTMKWLO-UHFFFAOYSA-N 306.409 4.859 30 20 DJED CCCC[C@@H](C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1)C(C)C 1350597238 WNWNHBNNFVMXTL-QFBILLFUSA-N 314.473 4.930 30 20 DJED CCC1CCC(CNc2c(Br)cccc2C#N)CC1 1458116600 AUNDCTCLTMQSBY-UHFFFAOYSA-N 321.262 4.949 30 20 DJED CC(C)c1ccc(-n2ccnc2S[C@@H]2CC[C@@H](C#N)C2)cc1 1458835208 NLIGUEHDPIXDLG-RHSMWYFYSA-N 311.454 4.780 30 20 DJED CCCc1c(NC[C@H](C)C(C)(C)C)cnn1-c1cccc(C#N)c1 1462112476 WEOUXEKTOZZFIG-HNNXBMFYSA-N 324.472 4.791 30 20 DJED CC(C)C[C@H](C)CSc1nc(C(F)(F)F)ccc1C#N 1473019202 LFDMFZCTFWEFNC-JTQLQIEISA-N 302.365 4.746 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@]1(C)Cc1cccc(F)c1 1473576117 RVFYHLXKECNBOZ-OAQYLSRUSA-N 322.427 4.603 30 20 DJED C[C@@H](CC(C)(C)C#N)Nc1cccc(Cl)c1OCC(F)F 1474563507 QWHWTYJWSIDVBO-JTQLQIEISA-N 316.779 4.724 30 20 DJED C[C@@H](CC(C)(C)C#N)N[C@H](C)c1ccc(OC(F)(F)F)cc1 1560805510 HWVPAAJPRSAAPV-NWDGAFQWSA-N 314.351 4.564 30 20 DJED N#CC1(CN[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CCC1 1560890930 UNQKGZHCMKNUCQ-HOTGVXAUSA-N 322.374 4.625 30 20 DJED CC[C@@H]1CCC[C@@H](Nc2c(Br)cccc2C#N)C1 1612007367 SGJVKCPDUBSAGZ-DGCLKSJQSA-N 307.235 4.701 30 20 DJED CCC(CC)(CNc1snc(C)c1C#N)c1ccc(F)cc1 1640197075 NOHPVBSJIYYNAJ-UHFFFAOYSA-N 317.433 4.632 30 20 DJED CC(C)N(Cc1ccc(F)cc1)Cc1ccc(C#N)cc1Cl 1641607201 VTOXKZLLNSULAM-UHFFFAOYSA-N 316.807 4.761 30 20 DJED C[C@H]1CCC[C@@H](COc2cc(C#N)ccc2Br)C1 1644150953 VUTUYIHKEVPYLQ-WCQYABFASA-N 308.219 4.526 30 20 DJED C[C@@H]1[C@H](c2ccccc2)CCN1Cc1ccccc1C(C)(C)C#N 1653528719 FPBVXMAZNBMLPI-YLJYHZDGSA-N 318.464 4.866 30 20 DJED N#Cc1ccc(C(=O)Nc2ccccc2NC2CCCCC2)cc1 7986685 NWATYGUIDLCGFL-UHFFFAOYSA-N 319.408 4.555 30 20 DJED CCC[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2o1)c1ccccc1 41548216 FGKRIMHKIQXTNN-JKSUJKDBSA-N 318.376 4.588 30 20 DJED C[C@@H](C#N)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 57736943 GNTGSQXWKBKYNV-HQAMWZJRSA-N 311.768 4.527 30 20 DJED Cc1cccc(NCc2ccc(O[C@@H](C)C#N)cc2)c1Cl 125076630 IYZULARTQKRGCZ-ZDUSSCGKSA-N 300.789 4.551 30 20 DJED Cc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)oc1C 125232763 WSFNSVPGABKNFW-GFCCVEGCSA-N 314.410 4.543 30 20 DJED CC(C)(CCC#N)CNCCCOc1ccc2ccccc2c1 134418069 JHEYSNTVUQPRTO-UHFFFAOYSA-N 310.441 4.528 30 20 DJED C=C[C@H](CC(=O)N1CCC[C@@H]1c1ccsc1)c1ccccc1 153716597 NCJZHLLDXBYTKK-CRAIPNDOSA-N 311.450 4.772 30 20 DJED C=C(C)CN(C)[C@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 181254207 VZABEHDSKARJCV-CYBMUJFWSA-N 304.821 4.872 30 20 DJED C=CC[C@H](C(=O)Nc1cncc(Cl)c1Cl)c1ccccc1 189008144 OPCKLIKDIOZVKH-LBPRGKRZSA-N 321.207 4.687 30 20 DJED C[C@H](NCCCCC(C)(C)C#N)c1ncc(-c2ccccc2)o1 278940742 YBBKWRPGAKTCKV-HNNXBMFYSA-N 311.429 4.712 30 20 DJED C[C@@H]1CCc2c(F)cccc2[C@@H]1Nc1snc(Cl)c1C#N 301946865 CLNLDSPOVASMOP-AMIZOPFISA-N 321.808 4.543 30 20 DJED C=CCC[C@H](Nc1nnc(C(F)(F)F)s1)c1ccccc1 302406240 HRRPJQCRXFNMAZ-NSHDSACASA-N 313.348 4.676 30 20 DJED CC(O)=Nc1ccc(C/C(O)=N/[C@H]2CC23CCCCC3)cc1 329111123 JXGUXHCZCHXJGL-INIZCTEOSA-N 300.402 4.516 30 20 DJED CSc1ccccc1C[C@@H](C)N[C@@H](CCC#N)c1ccccc1 341340756 GTCXYPRQEOLNFD-APWZRJJASA-N 324.493 4.974 30 20 DJED C[C@@H](NCC(C)(C)CCC#N)c1nc(-c2ccccc2)cs1 348246741 SHTJEPSJQHYAJH-CQSZACIVSA-N 313.470 4.791 30 20 DJED N#C[C@H]1CC[C@@H](N[C@@H]2CC=C(c3ccc(Cl)cc3)CC2)C1 425349609 GLNSMVHAEIVEOY-MORSLUCNSA-N 300.833 4.558 30 20 DJED C=CCC[C@H](NC(=O)Nc1cccc(C#N)c1C)c1ccccc1 435607228 LMTKQDRMNZVZID-IBGZPJMESA-N 319.408 4.696 30 20 DJED CC(C)CCN(CCC#N)C(=O)[C@H](C)c1ccc2ccccc2c1 439924146 DPXNLSSLMFSGBM-QGZVFWFLSA-N 322.452 4.732 30 20 DJED C=C(C)CN1CCC(N[C@@H](CC)c2cccc(Cl)c2F)CC1 461102680 POLNYOWJXRXOOK-KRWDZBQOSA-N 324.871 4.560 30 20 DJED CO[C@H](CNc1cc(Cl)ccc1C#N)c1cccc(Cl)c1 462953505 XXGRVEBHDANMDP-MRXNPFEDSA-N 321.207 4.665 30 20 DJED COc1ccccc1[C@H](C)SCc1ccc(F)cc1C#N 463193261 QVYXOFWXYVULHQ-LBPRGKRZSA-N 301.386 4.700 30 20 DJED COc1ccc([C@H]2CCCCCN2CCCC(C)(C)C#N)cc1 471721861 ZLIPPAIJMMPSDG-LJQANCHMSA-N 314.473 4.942 30 20 DJED CC[C@@H](CC#N)NC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 474996638 GVEIIYZXWRLJMK-HNNXBMFYSA-N 323.396 4.601 30 20 DJED C=CC1CCN(C(=O)N[C@@H](C)c2cc3ccccc3s2)CC1 477471971 PPQDBUTWKQPZHT-ZDUSSCGKSA-N 314.454 4.570 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1ccc2c3c(cccc13)CC2 486658912 QFCSMAUJELZXKC-MRXNPFEDSA-N 306.409 4.511 30 20 DJED C=C(CNCc1csc(-c2cccs2)n1)c1ccccc1 488480923 JVMBHCGFARJNKF-UHFFFAOYSA-N 312.463 4.675 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1ccc(SC)c(Cl)c1 488901717 UDEVXDFSVQRUHM-LBPRGKRZSA-N 310.850 4.634 30 20 DJED C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CC(C)(C)C#N 499336820 ALEVCQMUSACYEV-MRXNPFEDSA-N 320.436 4.813 30 20 DJED CC(C)[C@H](NCc1ccc(Cl)cc1C#N)c1ccc(F)cc1 502561149 BBSLFKKHIUJRQJ-SFHVURJKSA-N 316.807 4.838 30 20 DJED CC(C)C[C@@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 524820216 JHHNBJRVEKOQLG-OXJNMPFZSA-N 320.436 4.565 30 20 DJED C=CCCC[C@@H](C)N[C@@H](C)c1nc2ccc(Cl)cc2n1C 539508555 CFJYAOWCFPDBDE-OLZOCXBDSA-N 305.853 4.622 30 20 DJED Cc1ccccc1[C@H]1CCCN1c1ncc(Cl)c(C)c1C#N 543136263 NYIUAAQUYSZBKV-QGZVFWFLSA-N 311.816 4.565 30 20 DJED CC(C)[C@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)c2ccccc21 581226659 ACTPRMQHSJSXRO-MRXNPFEDSA-N 324.811 4.612 30 20 DJED C[C@H](c1noc(C(C)(C)c2cc(F)cc(C#N)c2)n1)C(C)(C)C 581395339 CJURXQSQOVZKRJ-LLVKDONJSA-N 315.392 4.556 30 20 DJED Cc1ccc(Oc2ccc(NC[C@@H](O)CC(C)(C)C#N)cc2)cc1 598726889 XBJNUBCEVGLMJJ-KRWDZBQOSA-N 324.424 4.500 30 20 DJED C=CCCCSCC(=O)Nc1cc(Cl)ccc1Cl 609805162 SJEFJJBSYLABGU-UHFFFAOYSA-N 304.242 4.631 30 20 DJED CC(C)(CCC#N)CNCC(C)(C)c1c(F)cccc1Cl 610271669 NBKQLPPVAYHWPX-UHFFFAOYSA-N 310.844 4.676 30 20 DJED Cc1cccc2c1CC[C@@H]2Nc1cccc(OCCCC#N)c1 611468495 ZPFNZUADDJWEMO-FQEVSTJZSA-N 306.409 4.777 30 20 DJED C[C@H]1CCCC[C@@H]1c1noc(-c2cc3ccccc3n2CC#N)n1 612928334 UJJMBDBMZVNSEA-ZFWWWQNUSA-N 320.396 4.509 30 20 DJED C=CCN(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(C)(C)C 622944057 BXISIOJZLQXMRE-AWEZNQCLSA-N 313.363 4.536 30 20 DJED Cc1cccc(CN(Cc2ccc(OCC#N)cc2)CC(C)C)c1 731212102 SNDOHNZIUWPZJY-UHFFFAOYSA-N 322.452 4.556 30 20 DJED C#Cc1cccc(NC(=S)N2CCCCC[C@H]2c2ccco2)c1 736449812 BLIYFVDBBRSJEJ-KRWDZBQOSA-N 324.449 4.575 30 20 DJED CC(C)Oc1cccc(/C=C2/CCc3cc(C#N)ccc3C2=O)c1 742438428 XEXQHDNIQQGRMI-ZDLGFXPLSA-N 317.388 4.558 30 20 DJED CCCCCC(CCCCC)=NNc1cnnc(O)c1Cl 743434013 PXYRLVDATMZGDH-UHFFFAOYSA-N 312.845 4.764 30 20 DJED CC1=CC(=NNc2nc3cc(C(F)(F)F)ccc3s2)CC1 743445272 MJZBIUZZWITYMD-UHFFFAOYSA-N 311.332 4.823 30 20 DJED C=C(C)COc1cc(/C=C\C(=O)c2ccccc2)ccc1OC 747061267 FUGPGVDJBJIKOQ-LUAWRHEFSA-N 308.377 4.546 30 20 DJED COc1ccc(OC)c(/C=C\C(=O)c2oc3ccccc3c2C)c1 747141364 XFFMDPHCRMCOHL-NTMALXAHSA-N 322.360 4.655 30 20 DJED Fc1cccc(-c2ccc(C=Nn3cnc4ccccc43)s2)c1 750933825 NDWNEBTWBKOTMU-UHFFFAOYSA-N 321.380 4.786 30 20 DJED O=C(/C=C\c1ccc(C(F)(F)F)s1)c1ccc2c(c1)COC2 761477794 ACQBMISAHLVJKD-HYXAFXHYSA-N 324.323 4.693 30 20 DJED CC(=NNc1nc2ccccc2cc1C)c1csc(C(C)C)n1 768783839 HMDGBNINEIMZAY-UHFFFAOYSA-N 324.453 4.959 30 20 DJED O=C(/C=C\c1cc(F)cc(C(F)(F)F)c1)c1ccccc1F 772802645 OGFBFBKGQUXWRE-WAYWQWQTSA-N 312.237 4.880 30 20 DJED CC(C)c1nccnc1NN=C1CC[C@@](C)(c2ccccc2)C1 773077002 CBCXVTFCGXJPRZ-LJQANCHMSA-N 308.429 4.510 30 20 DJED C#CC[C@H](N[C@@H](C)c1ccc(OCCC)cc1)c1ccccc1 773115184 MXDNBOVKWFSCCD-UWJYYQICSA-N 307.437 4.891 30 20 DJED C#CCCCCC(=O)Nc1ccc(Oc2cccc(OC)c2)cc1 773277937 PBENLRCEWDLGQY-UHFFFAOYSA-N 323.392 4.620 30 20 DJED O=C(/C=C/c1scnc1C1CC1)c1ccc2c(c1)CCCC2 782311653 FGEZAUPQHSWFRA-MDZDMXLPSA-N 309.434 4.795 30 20 DJED Cn1cc(C=NNc2ccc(Cl)cc2)c(C2CCCCC2)n1 783771373 LRROYDYTVPKXIO-UHFFFAOYSA-N 316.836 4.567 30 20 DJED C=C[C@](C)(CC)C(=O)OCc1csc(-c2cccs2)n1 785758165 SPRFBYRFAJQEGV-OAHLLOKOSA-N 307.440 4.517 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C\c3ccsc3Cl)c2c1 790220463 VPBQKMMMAIVKTR-DJWKRKHSSA-N 317.797 4.788 30 20 DJED FCC[C@@H]1CCCC1=NNc1ncc(C(F)(F)F)cc1Cl 794858772 VTASUGQJYSJBFV-QMMMGPOBSA-N 323.721 4.681 30 20 DJED Cc1nn(C(C)C)cc1/C=C\C(=O)c1ccc(Cl)c(Cl)c1 798369621 LMOJAIPGIPXTBT-ALCCZGGFSA-N 323.223 4.975 30 20 DJED CC(=NNc1c(F)cccc1Cl)c1ccc(Cl)c(N)c1 814905359 VCEGAEQAMJNLCW-UHFFFAOYSA-N 312.175 4.551 30 20 DJED CCCCCCC[C@H](C)N[C@H]1CCO[C@@H](c2ccncc2)C1 824954081 OHSQNTIBAVIYDF-YTQUADARSA-N 304.478 4.640 30 20 DJED C=CCCCC(=O)Nc1ccc(NC(=O)CCCC=C)c(C)c1 856013825 FDLOSWHGLKLVMK-UHFFFAOYSA-N 314.429 4.585 30 20 DJED C=CC[C@H](NCc1cccc(OC(C)(C)C)c1)c1ccncc1 865463637 CBZAULKMOJEBPJ-IBGZPJMESA-N 310.441 4.666 30 20 DJED CCCCCCCCC(=O)Nc1ccc(N2CCCC2=O)cc1 884981484 ADDUDSABEWHOJN-UHFFFAOYSA-N 316.445 4.503 30 20 DJED CCCCCCCCCNC(=O)N1CCC[C@H]1c1ccccn1 919900781 SCVLOCKVAFWLNC-SFHVURJKSA-N 317.477 4.679 30 20 DJED C[C@@H](NCCCCC#N)c1ccccc1SC(F)(F)F 924941246 FKFUFVRZYYDXGG-LLVKDONJSA-N 302.365 4.643 30 20 DJED N#CC1(CCCCN[C@H](c2ccccc2)c2ccccn2)CCC1 929861280 JFUDJTBEJFUJJD-HXUWFJFHSA-N 319.452 4.625 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 1125171959 FGPZATLZVPHRPW-IJEWVQPXSA-N 322.433 4.661 30 20 DJED Cc1cccc(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)c1 1129472789 XRLJWLAFRLXZQW-QWHCGFSZSA-N 324.449 4.866 30 20 DJED CC(C)(CC#N)CNc1nc(-c2ccccc2)c2ccccc2n1 1163465228 JBPBUJGAVGMADM-UHFFFAOYSA-N 316.408 4.649 30 20 DJED CCCCc1oc2ccccc2c1CN(C)c1cccc(C#N)n1 1184645123 ZMKXIBPZNNPUNF-UHFFFAOYSA-N 319.408 4.678 30 20 DJED Cc1ccc(Nc2ccc(C#N)c(C)n2)cc1OCCC(C)C 1185466284 DNKMLCDOHYOQEF-UHFFFAOYSA-N 309.413 4.739 30 20 DJED CN(Cc1ccc(-c2ccc(Cl)cc2)o1)c1ccnc(C#N)c1 1306926328 YFIAPWQFYZCHOB-UHFFFAOYSA-N 323.783 4.503 30 20 DJED Cc1c(Cl)cnc(N2C[C@H](C)C[C@H]2c2ccccc2)c1C#N 1307115739 VKBKSPWPEYUSMZ-PXAZEXFGSA-N 311.816 4.503 30 20 DJED CCc1ccc(C2=CCN(Cc3ccc(F)cc3C#N)CC2)cc1 1307638697 RWAKIUOVKPYAPW-UHFFFAOYSA-N 320.411 4.549 30 20 DJED C=CCC1(c2nnc(-c3cccc4cccnc34)o2)CCCC1 1327862696 CSGLLJSLXWAFBI-UHFFFAOYSA-N 305.381 4.673 30 20 DJED C[C@H](OC(=O)c1cccc2ccsc12)c1cccc(C#N)c1 1457761503 WSXZEOZNPMAWAB-LBPRGKRZSA-N 307.374 4.691 30 20 DJED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCC[C@H](C(C)C)CC1 1465873435 WWZUCFGMLOTZAE-DOTOQJQBSA-N 313.445 4.593 30 20 DJED CCCN(CCOc1cccc(C#N)c1)c1ccc(Cl)cc1 1473248943 KTSZUJHHPKHSTE-UHFFFAOYSA-N 314.816 4.507 30 20 DJED CC(C)[C@@H](Cc1ccccc1)C(=O)O[C@H](C)c1cccc(C#N)c1 1544194381 QEKPBXYFXSPGFI-OXQOHEQNSA-N 321.420 4.677 30 20 DJED C[C@H]1C[C@H]1c1ccc(CNc2nc(C(C)(C)C)ccc2C#N)o1 1559074741 DIOFCHVFRQBRLX-SWLSCSKDSA-N 309.413 4.579 30 20 DJED CC(C)(C)c1ccc(C(=O)CSc2ccc(C#N)cc2)cc1 1559362137 UTJDSHCQNCJBDJ-UHFFFAOYSA-N 309.434 4.831 30 20 DJED N#Cc1cccc(CN(CCc2ccc(F)cc2)C2CCCC2)c1 1559651301 DDNLPCZRXJKZST-UHFFFAOYSA-N 322.427 4.685 30 20 DJED CC(C)c1ccc([C@H](C)CC(=O)Nc2ccc(C#N)c(F)c2)cc1 1596289463 VOBOMIFAQGTQHC-CQSZACIVSA-N 324.399 4.953 30 20 DJED N#Cc1cc(Cl)ccc1NC(=O)c1ccc(C2CCC2)cc1 1617556116 AAMIEGUFSINIGZ-UHFFFAOYSA-N 310.784 4.731 30 20 DJED CC(C)(C)C1CCC(CNCc2ccc(OCC#N)cc2)CC1 1620782370 QVLZOGXLBPXSFL-UHFFFAOYSA-N 314.473 4.531 30 20 DJED Cc1ccccc1[C@@H](Nc1nc(C)c(C#N)cc1Cl)C1CC1 1651515822 DJXKVESGSIKUOO-KRWDZBQOSA-N 311.816 4.787 30 20 DJED C[C@H](CN1CCC(c2ccc(C#N)cc2)CC1)C1CCCCC1 1654932815 QIYBYUAKOAZXAE-QGZVFWFLSA-N 310.485 4.954 30 20 DJED CCCN(CCC1(C#N)CCCCC1)Cc1ccccc1F 1659450082 KAUORUUAKCIHQA-UHFFFAOYSA-N 302.437 4.902 30 20 DJED CN(CCC1(C#N)CCCCC1)c1ccc(Br)cc1 1660275292 ROSPNQQOFQFJIK-UHFFFAOYSA-N 321.262 4.749 30 20 DJED C=CCC[C@@H]1CCCN1Cc1c(C(=O)O)sc2ccccc12 1776170779 QTWWUYOZFNMZJU-CYBMUJFWSA-N 315.438 4.530 30 20 DJED N#Cc1cccc(CSc2nc(-c3ccccc3)cs2)c1 5971761 QDPIPFTYYGPLDV-UHFFFAOYSA-N 308.431 4.974 30 20 DJED N#Cc1ccc(CSc2cccc(Br)c2)c(F)c1 55307719 LSCVVUDJLYPDPK-UHFFFAOYSA-N 322.202 4.752 30 20 DJED CC(=O)Nc1cccc(CS[C@@H](C)c2cccc(C#N)c2)c1 190794276 CQBWKHGEQLNTIF-ZDUSSCGKSA-N 310.422 4.511 30 20 DJED COc1cc(/C=C2/CCc3ccccc3C2=O)ccc1SC 214927655 DLVAKBBPMQHWBV-PTNGSMBKSA-N 310.418 4.630 30 20 DJED CC(C)C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1 236622435 FXJBVAONOBYJET-LAUBAEHRSA-N 322.452 4.854 30 20 DJED O=C(/C=C\c1cccnc1)c1ccc(SCC(F)(F)F)cc1 254942227 LMKKJFPFWOOZHC-BAQGIRSFSA-N 323.339 4.632 30 20 DJED N#Cc1cccc(C#N)c1Nc1cccc(NC2CCCC2)c1 302905864 WFMZOKBASDAVPX-UHFFFAOYSA-N 302.381 4.528 30 20 DJED CCCCCCCCCCCC(=O)N1CC[C@@H](O)C(C)(C)C1 320000469 QLVJNLDYIRXJKV-QGZVFWFLSA-N 311.510 4.527 30 20 DJED C[C@@H]1CCCC[C@@H]1C/N=C(/O)CCc1nc2ccccc2o1 328672006 NVZACEDOZDNCOQ-ZIAGYGMSSA-N 300.402 4.543 30 20 DJED C/C(O)=N/C1(/C(O)=N/C(C2CCC2)C2CCC2)CCCCC1 329222202 WAACMAXCIRPKIK-UHFFFAOYSA-N 306.450 4.591 30 20 DJED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1nccc2ccccc12 353255742 OBSFNZHGOZZBFA-OXQOHEQNSA-N 315.420 4.930 30 20 DJED Cc1cccc(-c2nnc([C@@H](C)Sc3cccc(C#N)c3)o2)c1 363946259 SXBNYSCJANGQDC-CYBMUJFWSA-N 321.405 4.770 30 20 DJED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1OCc1ccccc1 424319667 FHGFFUFBCBZHPE-YTQUADARSA-N 320.436 4.608 30 20 DJED Cc1occc1CN(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N 425366348 PLDVLLQLXXNHJB-GFCCVEGCSA-N 322.330 4.521 30 20 DJED CC(C)c1cccc(NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)c1 425623767 PVSZIUUCEMPJEC-OAHLLOKOSA-N 321.424 4.907 30 20 DJED CC(C)Oc1cccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1 452673354 BHOTWRSDXYPOKD-UHFFFAOYSA-N 322.408 4.527 30 20 DJED CCCCCN(Cc1ccc(Cl)cc1)C(=O)CCCC#N 462139930 NXTCKRVOFNHDRT-UHFFFAOYSA-N 306.837 4.553 30 20 DJED C=CC[C@H](CC)NC(=O)N(C)C1c2ccccc2-c2ccccc21 466383117 OCJPNYNBRUGTPJ-HNNXBMFYSA-N 320.436 4.753 30 20 DJED C=CC[C@@H]1N(C(=O)[C@H]2C[C@@H]2c2sccc2C)CCCC1(C)C 470279610 LJWCVLQGPBFZPH-JYJNAYRXSA-N 317.498 4.753 30 20 DJED C[C@H](NCCCCc1ccc(F)c(F)c1)c1ccc(C#N)cc1 478417496 NBWRVRQCQQJSIO-AWEZNQCLSA-N 314.379 4.510 30 20 DJED C=C(C)[C@H](N[C@H]1CCc2c(F)cccc21)c1ccc(F)c(F)c1 480677374 QNJCURIMJCOGJC-OALUTQOASA-N 317.354 4.998 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCc2cc(F)ccc21 481649518 FUDLGOKLAXDXSZ-RTWAWAEBSA-N 320.411 4.742 30 20 DJED N#Cc1ccc(N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1 507029966 MJVAJSBUVTVLFP-GOEBONIOSA-N 302.299 4.545 30 20 DJED N#Cc1nc(Oc2cccc(Oc3ccccn3)c2)ccc1Cl 531148334 NDRBLMIDQHZOAH-UHFFFAOYSA-N 323.739 4.586 30 20 DJED CSc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1F 531696291 FXBNZOHUMPPQRH-CHWSQXEVSA-N 314.429 4.831 30 20 DJED N#Cc1ccccc1CN[C@H](c1ccc(Cl)cc1)C1CCC1 539306568 JBQGENWVUUVUMQ-IBGZPJMESA-N 310.828 4.843 30 20 DJED Cc1cc(Cl)c(NC(=O)c2ccc(F)c(C#N)c2)cc1Cl 556424625 DPSIJMDQSVSYFV-UHFFFAOYSA-N 323.154 4.565 30 20 DJED CC[C@@H](Nc1cnn(C2CCCC2)c1C)c1ccc(C#N)cc1 560001255 OKPYVDWFSGOQLQ-GOSISDBHSA-N 308.429 4.742 30 20 DJED CC(C)(C)c1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1 560070170 DHJJKZXNQGQELM-UHFFFAOYSA-N 304.437 4.635 30 20 DJED CC(=C/c1ccccc1OC(F)F)/C=C/c1ccc(C#N)cn1 564552924 SWSYLXYOFYUCNW-DEOSACLMSA-N 312.319 4.671 30 20 DJED CC[C@H](N[C@@H](C)CCOCc1ccccc1)c1ccc(C#N)cc1 565957765 PEZQDVJIKSZUBT-UWJYYQICSA-N 322.452 4.594 30 20 DJED C=CCC[C@H](CC)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 570553380 LJMDYPMHMQESEF-WFASDCNBSA-N 319.836 4.785 30 20 DJED CC(C)[C@](C)(Cc1ccc(Cl)cc1)NCCCSCC#N 584245469 DOIGFLKXVUDRGC-KRWDZBQOSA-N 324.921 4.534 30 20 DJED N#Cc1ccc(/C=C\c2ccc(-c3ccc(F)cc3)s2)nc1 603894023 PNRMSGCAGWHUFP-FPLPWBNLSA-N 306.365 4.991 30 20 DJED CC(C)c1ccc(CS(=O)(=O)CCCCC#N)c(C(C)C)c1 608990958 ABSMSUXLCVYMBW-UHFFFAOYSA-N 321.486 4.542 30 20 DJED Cc1ccccc1[C@H](C)CC(=O)Nc1sc2c(c1C#N)CCC2 609692993 ORCLMTIDHDAURV-CYBMUJFWSA-N 324.449 4.549 30 20 DJED COc1ccc(-c2cc(CSc3ccccc3C#N)on2)cc1 610339920 MTUASLRVCNTIEX-UHFFFAOYSA-N 322.389 4.514 30 20 DJED N#CCC[C@@H](NC(=O)Nc1ccc(C2CC2)cc1)c1ccccc1 611330553 HTLVQVXWHQKFSY-LJQANCHMSA-N 319.408 4.731 30 20 DJED C=C(C)[C@@H](N[C@H]1CCCc2ncccc21)c1ccc(F)c(F)c1 631619274 SGNRFJXFFDXQQF-RBUKOAKNSA-N 314.379 4.644 30 20 DJED C=CCC[C@@H](N[C@@H](C)c1nccn1-c1ccccc1)c1ccco1 672617163 MYYHBUIBNIVRSG-FUHWJXTLSA-N 321.424 4.823 30 20 DJED CC1(C)Cc2cc(/C=C3/CCc4sccc4C3=O)ccc2O1 729150768 MLMHKSPVNWDARC-LCYFTJDESA-N 310.418 4.674 30 20 DJED Cc1cc(C)cc(C(=O)/C=C\c2cn3cc(Cl)ccc3n2)c1 730437569 SLZZWDDORXFZLR-PLNGDYQASA-N 310.784 4.501 30 20 DJED CC(C)[C@@H](NCc1ccc(C#N)cc1)c1cc2ccccc2o1 732231201 KYQCSEUISJHXMY-HXUWFJFHSA-N 304.393 4.791 30 20 DJED CCCCCCCCC/C=C\C(=O)Nc1c(C)c(C)nn1C 733932439 OFOSANYRPDBIDP-YPKPFQOOSA-N 305.466 4.672 30 20 DJED N#Cc1ccc2c(c1)CC/C(=C/c1cc3cc(F)ccc3o1)C2=O 742437150 IYGJTCBVJANFDX-ZROIWOOFSA-N 317.319 4.656 30 20 DJED CCCCCCC[C@H](C)CNC(=O)N(C)[C@H](C)c1ccccn1 744280291 IWKCRYHYNMFKHE-DLBZAZTESA-N 319.493 4.781 30 20 DJED CCCc1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1 748508369 VYSLPCSUVKHABX-LJQANCHMSA-N 321.424 4.806 30 20 DJED Cc1ccc2cc(C(=O)/C=C\c3cc(F)c(O)c(F)c3)oc2c1 754825910 RXMJHSCAHNHHCO-HYXAFXHYSA-N 314.287 4.621 30 20 DJED Cc1ccc(C)c([C@H]2CCCN2Cc2ccc(OCC#N)cc2)c1 761957209 YIWPZUCOQFBMJU-OAQYLSRUSA-N 320.436 4.543 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)c(F)c1 772803344 STTMJUVXDDPPTJ-VOTSOKGWSA-N 319.257 4.612 30 20 DJED C#CCCCCC(=O)Nc1nc(-c2ccc(Cl)s2)cs1 774262533 PTFKPUWONIPBIE-UHFFFAOYSA-N 324.858 4.657 30 20 DJED Cc1cc(C)c(C#N)c(SCc2nc(Cl)ccc2Cl)n1 785013025 FPMZKAOSRKOIPX-UHFFFAOYSA-N 324.236 4.564 30 20 DJED FC(F)C1CCC(=NNc2ncc(Cl)cc2Cl)CC1 799471945 ILSJSZBTTCESQH-UHFFFAOYSA-N 308.159 4.612 30 20 DJED C#CCC1(c2nc(-c3cccc4cnccc34)no2)CCCCC1 809392227 LNAXEYLAPXBPKW-UHFFFAOYSA-N 317.392 4.510 30 20 DJED FC(F)Oc1ccc(Cl)cc1CON=Cc1cccs1 852094700 CFQOVEDWQBROBI-UHFFFAOYSA-N 317.744 4.554 30 20 DJED COc1ccc(CON=C(C)c2cc3ccccc3o2)cc1F 852753507 CKBPCNFQRYOLSM-UHFFFAOYSA-N 313.328 4.521 30 20 DJED CCCCCCC[C@H](C)CNC(=O)c1c(C)noc1C(C)C 917872925 RWAGYXCHUKSXGQ-AWEZNQCLSA-N 308.466 4.833 30 20 DJED CCOc1ccc(/C=C2/Cc3cc(C)ccc3C2=O)cc1OCC 921268638 CJRBJCNDYFVKEN-BOPFTXTBSA-N 322.404 4.615 30 20 DJED N#CCOc1cccc(CNCc2ccc(C3CCCC3)cc2)c1 1117697035 FKIPCPLHGPJUQN-UHFFFAOYSA-N 320.436 4.536 30 20 DJED Cc1ccc(-c2ccc(C(=O)O[C@@H]3CC[C@H](C#N)C3)c(F)c2)cc1 1122637824 SIOSMADCTDOHFA-WMLDXEAASA-N 323.367 4.650 30 20 DJED C#CCCCCCc1nnc([C@@H](C)Oc2cccc(Cl)c2)o1 1261576438 QTUUKEKEUBPNAJ-CYBMUJFWSA-N 318.804 4.599 30 20 DJED C[C@]1(Cc2ccccc2)CCCN1Cc1ccc(Cl)cc1C#N 1307654625 GOICKEFHMQHWEA-HXUWFJFHSA-N 324.855 4.809 30 20 DJED CC(C)(C#N)CCCCSCc1ccc(-n2ccnc2)cc1 1326413946 AINRWPMGYHOXLT-UHFFFAOYSA-N 313.470 4.826 30 20 DJED CC(C)Sc1ccccc1-c1nnc(-c2ccc(C#N)cc2)o1 1341533653 XVJNWBUMLMUULA-UHFFFAOYSA-N 321.405 4.776 30 20 DJED CC(C)Cc1ccc([C@H](C)C(=O)Nc2cc(F)cc(C#N)c2)cc1 1438462783 URLOWMGEZZSGCH-AWEZNQCLSA-N 324.399 4.638 30 20 DJED N#C[C@H](c1ccccc1)N1Cc2ccccc2-c2ccccc2C1 1459406300 PKZCNKYVIWJXFJ-JOCHJYFZSA-N 310.400 4.934 30 20 DJED CC(C)(CC#N)CNCc1ccc(-c2cccc(F)c2)s1 1461568034 WZMBRKJAUQBRLN-UHFFFAOYSA-N 302.418 4.584 30 20 DJED N#Cc1cccnc1N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 1472809234 MVRXFELVEKTDPZ-PBHICJAKSA-N 311.816 4.745 30 20 DJED Cc1cc(C#N)cc(NC(=O)N(C)c2ccc(C(C)C)cc2)c1 1562939741 SPWDNTPBLKIFAG-UHFFFAOYSA-N 307.397 4.658 30 20 DJED N#Cc1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)c(F)c1 1586874665 LNEWVCRGRSJXJK-UHFFFAOYSA-N 316.335 4.617 30 20 DJED C=C(CNC(=O)C1(c2ccccc2C)CCCC1)c1ccccc1 1596357118 GYWNHBHZCHFLQU-UHFFFAOYSA-N 319.448 4.636 30 20 DJED Cc1cc(CNc2cccc(COC(C)(C)C)c2)ccc1C#N 1621089142 WZRXMWIKVMQZCI-UHFFFAOYSA-N 308.425 4.794 30 20 DJED CCC[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 1629720030 RWXLMRRTCJEBHJ-MDNKFWRPSA-N 324.468 4.501 30 20 DJED N#Cc1c(F)cccc1N[C@H]1CCCOc2cc(Cl)ccc21 1650912514 NFWJFNGZXXMADY-HNNXBMFYSA-N 316.763 4.677 30 20 DJED Cc1cccc([C@H]2CCCN2c2ncc(Cl)c(C)c2C#N)c1 1651411299 RKHYIALGONTLBB-QGZVFWFLSA-N 311.816 4.565 30 20 DJED CC1(C)CCc2ccccc2[C@@H](NCc2ccc(F)c(C#N)c2)C1 1653399305 CFFGUUICQMIQSK-FQEVSTJZSA-N 322.427 4.891 30 20 DJED N#Cc1c(F)cccc1CN1CCC[C@H]1c1ccccc1Cl 1659037065 ANDJGGWLDPZLIX-SFHVURJKSA-N 314.791 4.688 30 20 DJED CC(=NNc1ccc(Cl)cc1Cl)c1ccccc1C(=O)O 1776029770 UGKQHGBQQFBEDG-UHFFFAOYSA-N 323.179 4.528 30 20 DJED Cc1ccc(C(=O)/C=C/c2cccc(C(=O)O)c2Cl)c(C)c1 1776133143 OLEVJEIDXQAJHT-VQHVLOKHSA-N 314.768 4.551 30 20 DJED Cc1cccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 66800850 DLPFDPJESCZQGY-AWEZNQCLSA-N 310.422 4.642 30 20 DJED Cc1ccc(CNCc2ccc(C#N)o2)c(Oc2ccccc2)c1 88754507 JDCJNSVWHMLVKV-UHFFFAOYSA-N 318.376 4.542 30 20 DJED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCC2 90664906 JLRPATNCLFUYEG-IIBYNOLFSA-N 304.437 4.871 30 20 DJED COc1cc(C(=O)/C=C\c2ccc(Cl)cc2Cl)ccc1O 96792746 BYOPLBKJBNAGFZ-UTCJRWHESA-N 323.175 4.604 30 20 DJED CC(C)(C#N)c1ccccc1CNc1cc(F)c(F)c(F)c1 131772116 NOPPQSNADMTKLU-UHFFFAOYSA-N 304.315 4.517 30 20 DJED C[C@H](NCc1cc(C#N)ccc1F)c1ccc(C(F)(F)F)cc1 174265187 UQZKEMOMFTZLEG-NSHDSACASA-N 322.305 4.567 30 20 DJED C[C@H](SCCOc1ccc(C#N)cc1)c1nc2ccccc2o1 183258504 DEDCQUSFSOLYPO-ZDUSSCGKSA-N 324.405 4.573 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1cccc(COCc2ccco2)c1 190737593 FNCVMIUNBHACKR-IBGZPJMESA-N 313.397 4.537 30 20 DJED CCCCCCCCC[S@@](=O)Cc1nc(C)c(C)s1 190821852 NNWNEQAUIQQOAD-LJQANCHMSA-N 301.521 4.759 30 20 DJED N#CC1CCN(CCCCc2ccc(Cl)c(Cl)c2)CC1 194997162 HIPAKQSWYOHQRV-UHFFFAOYSA-N 311.256 4.552 30 20 DJED C#CCCOc1ccc(CN[C@H](C)c2cc(C)cc(C)c2)cc1 237512635 JSBMLRINOMDRPV-GOSISDBHSA-N 307.437 4.556 30 20 DJED C=CCC[C@H](Nc1ccc(C(F)(F)F)nn1)c1ccccc1 301971822 STGQNOQDIMSNFP-ZDUSSCGKSA-N 307.319 4.615 30 20 DJED Cc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)s1 410932413 XZXAUJWOVQRORO-UHFFFAOYSA-N 304.440 4.540 30 20 DJED C=C(C)[C@@H](NCc1oc(CCC)nc1C)c1ccc(F)c(F)c1 428421432 KEFJCQGPLJQXBU-GOSISDBHSA-N 320.383 4.621 30 20 DJED C=CCN(Cc1cccs1)C(=O)CC[C@@H](C)c1ccccc1 441291732 RTOWPRQWRLNMOX-MRXNPFEDSA-N 313.466 4.847 30 20 DJED CC[C@@H](NCc1ccccc1OC(C)C)c1ccc(C#N)cc1 447531884 UAHRQPVYHWXELT-LJQANCHMSA-N 308.425 4.586 30 20 DJED CO[C@@H](CNc1cc(Cl)ccc1C#N)c1ccc(Cl)cc1 462895696 RZWJQDJLWKURJS-INIZCTEOSA-N 321.207 4.665 30 20 DJED CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 476185551 BESTXKKXUFBVKC-YJBOKZPZSA-N 312.457 4.529 30 20 DJED C=CCCCC(=O)NCCC(c1ccccc1)c1ccccc1 479544006 NCMWOWZQCGWDDH-UHFFFAOYSA-N 307.437 4.681 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1CC=C(c2ccc(F)cc2)CC1 488062558 GWHRNIVAFHOWGL-HNNXBMFYSA-N 306.384 4.548 30 20 DJED C=CC[C@H](CC)NC(=O)N[C@H](CC)c1ccc(Cl)s1 541091523 VGHUPKJEFDEWLF-WDEREUQCSA-N 300.855 4.507 30 20 DJED C=CCC(C)(C)C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C 570989255 STFYRJAGMUAHMB-ZDUSSCGKSA-N 315.413 4.529 30 20 DJED C=C(C)COc1cccc(NC(=O)N(C)[C@H](C)CCCC)c1 573291497 QSRFDPJEAPGOFZ-OAHLLOKOSA-N 304.434 4.684 30 20 DJED CC(C)CN(Cc1cccc(Cl)c1)C(=O)CCCCCC#N 598782842 NTVIQDWKIQHWBR-UHFFFAOYSA-N 320.864 4.799 30 20 DJED Cc1nc(-c2ccc(NCc3cc(C#N)cs3)cc2)oc1C 610910454 LKGGNUYYBFEDNG-UHFFFAOYSA-N 309.394 4.504 30 20 DJED CC(C)(C#N)CNC1CCC(c2cccc(C(F)(F)F)c2)CC1 617848998 KTIRGZALJJGYHC-UHFFFAOYSA-N 324.390 4.871 30 20 DJED C=CCN(CC=C)C(=O)Nc1ccccc1SC1CCCC1 642507360 MZEKWLISADBUOV-UHFFFAOYSA-N 316.470 4.927 30 20 DJED CC(=NNc1ccc(OC(F)F)cc1)c1cc2ccccc2o1 726428523 BZRDIJPXHMAXIB-UHFFFAOYSA-N 316.307 4.870 30 20 DJED C[C@@H]1C[C@@H](CC(=O)[C@@H](C#N)c2nc3ccccc3o2)CC(C)(C)C1 727629488 YQMQASSPHCNWTE-QLFBSQMISA-N 324.424 4.857 30 20 DJED Fc1cccc(F)c1NN=Cc1c(Cl)cccc1Cl 735614939 FSMPSLVWSGSBCQ-UHFFFAOYSA-N 301.123 4.718 30 20 DJED Cc1ccc2c(c1C)C(=NNc1nccc3sccc13)CCO2 737430630 WWTWWUIZYZSEQT-UHFFFAOYSA-N 323.421 4.512 30 20 DJED C[C@@H](/N=C/c1ccccc1O)c1ccc(-c2ccncc2)cc1 746394970 UKWZVMZQNQNXHE-QQHUYRGFSA-N 302.377 4.634 30 20 DJED CC(C)n1cc(C(=O)/C=C\c2cc(Cl)ccc2Cl)cn1 753716943 HPKZOUOAQNWBFD-UTCJRWHESA-N 309.196 4.667 30 20 DJED CC(C)c1ncc(C=NOc2ccccc2C(F)(F)F)s1 754710639 VXCGKKTYXNPHOP-UHFFFAOYSA-N 314.332 4.698 30 20 DJED CC(CC1CCOCC1)=NNc1ccc(Cl)c(Cl)c1 757587488 WHMGKCKXXDUZEO-UHFFFAOYSA-N 301.217 4.598 30 20 DJED C#CCCCCC(=O)Nc1ccc(SC2CCCC2)cc1 773233913 VKAFQAFKJAQYAK-UHFFFAOYSA-N 301.455 4.853 30 20 DJED C=CCC[C@H](NCc1ccc(C(C)(C)O)cc1)c1ccccc1 775570245 XVJAUPPSHHBTHA-FQEVSTJZSA-N 309.453 4.711 30 20 DJED CC(C)(C)C[C@@H](/N=C/c1cc2ccccc2nc1O)C(F)(F)F 777873034 GHSCJSWEZYYWJI-YVJZOELXSA-N 324.346 4.726 30 20 DJED CC(C)CCC[C@H](NCc1ccc(C#N)cn1)c1ccccc1 783294210 MXGHHMDMVLRKEO-FQEVSTJZSA-N 307.441 4.610 30 20 DJED COc1ccc(NN=C2CC(c3ccc(Cl)cc3)C2)cc1 783857100 SIDQQWSDVYZBEI-UHFFFAOYSA-N 300.789 4.694 30 20 DJED O=C(/C=C/c1ccc(OCC2CC2)cc1)c1cc(F)ccc1F 790210097 ICFCPAGVZLONTG-BJMVGYQFSA-N 314.331 4.650 30 20 DJED CC(C)O[C@@H](C=NNc1cc(F)c(F)cc1F)c1ccccc1 793012332 JMLZJPOIZKQWLN-KRWDZBQOSA-N 322.330 4.668 30 20 DJED CC[C@H]1c2ccccc2CN1C(=O)C[C@H](CC#N)c1ccccc1 890613543 FPCNJCKRLVQJMS-PXNSSMCTSA-N 318.420 4.567 30 20 DJED O=C(c1ccc(Cl)s1)N(O)Cc1cccc2ccccc12 899895417 SEUSZYMHDIWNAT-UHFFFAOYSA-N 317.797 4.586 30 20 DJED CC(=O)Nc1ccc(SCCCCC2(C#N)CCC2)cc1 901391286 BMKFRHSFMDLYQX-UHFFFAOYSA-N 302.443 4.601 30 20 DJED O=C(/C=C/c1ccc(O)c(Cl)c1)c1cccc(OC(F)F)c1 921261265 KCTJDRCNHAVGFG-GQCTYLIASA-N 324.710 4.543 30 20 DJED CC(C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@H]2C 1129333467 MKMGWWCCZIXOPK-QJPTWQEYSA-N 304.459 4.536 30 20 DJED CC[C@H](Cc1cccs1)N[C@H]1CCCc2cc(C#N)ccc21 1182433885 LFHNNRNRCRNUFP-APWZRJJASA-N 310.466 4.608 30 20 DJED C=C(Cl)CN(CC)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 1196313222 QSIVKKLVKPLDMW-LBPRGKRZSA-N 305.771 4.711 30 20 DJED CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNc1nc(C#N)c(Cl)s1 1306949771 UANRVKULPDZXAM-UTUOFQBUSA-N 311.882 4.788 30 20 DJED CCc1cc(C#N)c(NC(=O)CC(C2CCC2)C2CCC2)s1 1517566358 RKUKCMJGQKTVDD-UHFFFAOYSA-N 316.470 4.727 30 20 DJED C[C@@H]1C[C@@H](CC(=O)N[C@H]2CCc3cc(C#N)ccc32)CC(C)(C)C1 1586550912 VPSNPWPGGGNTJB-ALKREAHSSA-N 324.468 4.514 30 20 DJED CC(C)(C)C[C@@H]1CCN(C(=O)CC2(C#N)CCCCC2)C1(C)C 1597146962 DUQQYPABVQBNTR-INIZCTEOSA-N 318.505 4.914 30 20 DJED Cc1c(Cl)cnc(NC[C@H](c2ccccc2)C(C)C)c1C#N 1611779332 DXAQUHZENFWOMZ-INIZCTEOSA-N 313.832 4.767 30 20 DJED CC[C@@H](C)[C@@H]1CCCCN1Cc1ccc(C#N)cc1OC(F)F 1615600658 MGYDHCLCTNHVOW-CJNGLKHVSA-N 322.399 4.560 30 20 DJED N#Cc1ccc(CN[C@@H]2CCCC[C@@H](c3ccccc3)C2)cc1F 1621393114 NEIJXJSSYGZJMQ-UYAOXDASSA-N 322.427 4.903 30 20 DJED C[C@@H]1C[C@H](c2ccc(F)cc2)CN1[C@H](C)c1cccc(C#N)c1 1641808876 RKPGUOKLAYXXBJ-CLCXKQKWSA-N 308.400 4.636 30 20 DJED Cc1ccc([C@@H]2C[C@H](C)N([C@H](C)c3cccc(C#N)c3)C2)cc1 1642921520 OPZXWHUKBAXPFL-CSODHUTKSA-N 304.437 4.806 30 20 DJED CC(C)N(CC[C@H](C)c1ccccc1)Cc1ccc(C#N)cc1 1651760985 OIJYIXPMVGLJJJ-SFHVURJKSA-N 306.453 4.962 30 20 DJED C[C@H](Sc1nc2c(cc1C#N)CCCC2)c1cccc(F)c1 1652581547 SCBSETVWUSJRDC-LBPRGKRZSA-N 312.413 4.824 30 20 DJED N#Cc1cccc(SCc2cc(F)ccc2OC(F)F)c1 1652689489 VZVZZLPJHRCZFK-UHFFFAOYSA-N 309.312 4.591 30 20 DJED C=C(Br)CN[C@@H]1CCCC[C@H](c2ccccc2)C1 1655563413 JRDZGKQDKNEBPB-JKSUJKDBSA-N 308.263 4.601 30 20 DJED CC(C)N(Cc1ccccc1F)Cc1ccc(C#N)cc1Cl 1657111493 IHVKMHKQNPOPJR-UHFFFAOYSA-N 316.807 4.761 30 20 DJED N#C[C@@H]1CCC[C@@H](Nc2cccc(SC(F)(F)F)c2)C1 1660423537 NVERVPQOVFGBPF-GHMZBOCLSA-N 300.349 4.793 30 20 DJED CC[C@@H](Cc1ccc(Cl)cc1)N[C@@H]1CCc2cc(C#N)ccc21 1664566523 LTGWIZDBACBVEV-AZUAARDMSA-N 324.855 4.810 30 20 DJED COc1cccc(/C=N/[C@@H](C)c2cccc3ccccc23)c1O 5293758 PQJWKAUTACBFKG-HADWXUJASA-N 305.377 4.734 30 20 DJED COc1cc(/C=C/C(=O)c2ccc(C)s2)ccc1SC 49487628 CUBFTHBCXRHBRD-FNORWQNLSA-N 304.436 4.683 30 20 DJED C=C(C)CN(CC)C(=O)c1ccccc1OCc1ccccc1C 60850973 HGIOEHOSWQAPKJ-UHFFFAOYSA-N 323.436 4.612 30 20 DJED Cc1cc(C)c(NC(=O)[C@@H](C)Sc2cccc(C#N)c2)c(C)c1 158742912 BWCMVRWDXVTNGF-OAHLLOKOSA-N 324.449 4.603 30 20 DJED N#CCC[C@H](Nc1ccc2ccc(F)cc2n1)c1ccccc1 164305930 OBRNJGZTEXTUCK-KRWDZBQOSA-N 305.356 4.831 30 20 DJED C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(C(C)(C)C)cc1 192970485 SOYCWUSFPLXZRL-MRXNPFEDSA-N 322.452 4.737 30 20 DJED CC(C)Oc1cccc(CN(C)[C@H](C)c2ccc(C#N)cc2)c1 195732363 ATVICMTXWDHZLF-MRXNPFEDSA-N 308.425 4.538 30 20 DJED CCOc1cc(/C=C\C(=O)c2ccccc2)cc(Cl)c1OC 206087170 KFCYPCDUCNBZGJ-KTKRTIGZSA-N 316.784 4.643 30 20 DJED O=C(/C=C\c1cc(Br)cs1)c1cccc(F)c1 206088066 VGZWCYMAYRIMED-PLNGDYQASA-N 311.175 4.546 30 20 DJED CCc1cccc2c(/C=C\C(=O)c3ccc(C#N)s3)c[nH]c12 255134806 IEBRKVMLJYXBGZ-VURMDHGXSA-N 306.390 4.560 30 20 DJED N#Cc1cccnc1N[C@H](c1ccccc1)c1cccc(Cl)c1 301122135 XJQGXAIRXZDGDI-GOSISDBHSA-N 319.795 4.808 30 20 DJED N#CCOc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 323905482 QOAYJTFWWMMDSP-UHFFFAOYSA-N 314.388 4.868 30 20 DJED C=C[C@@H](CC(=O)NCC[C@@H](C)c1ccccc1)c1ccccc1 410217886 VQBZVYPWSOUSOD-MSOLQXFVSA-N 307.437 4.656 30 20 DJED N#Cc1c(F)ccc(CNc2cnc3ccccc3c2)c1Cl 428875153 SEUCOIMMEQMZCE-UHFFFAOYSA-N 311.747 4.511 30 20 DJED Cc1nc(Oc2cncc(-c3ccccc3)c2)c(Cl)cc1C#N 461877937 WQOJNKQKBJTSNZ-UHFFFAOYSA-N 321.767 4.769 30 20 DJED C=C(C)CN(C)C(=O)N[C@@H](C)c1ccc(Cl)c2ccccc12 463260594 VVOQXKKUBPGLKS-ZDUSSCGKSA-N 316.832 4.772 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1cccc(-c2nc(C)cs2)c1 467945735 MXBHXJWJKHOSKB-QGZVFWFLSA-N 300.427 4.659 30 20 DJED CCCCn1ncc(N[C@H](C)c2ccc(C#N)cc2)c1C(C)C 477923441 ANGNCQZWWGQQSN-OAHLLOKOSA-N 310.445 4.851 30 20 DJED C=CCN(Cc1cc2ccc(F)cc2[nH]1)Cc1cccs1 488311886 IZFYFCQEWOCBNQ-UHFFFAOYSA-N 300.402 4.557 30 20 DJED Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2NCCCCC#N 489480122 AAPUTHIJMHAPNH-SFHVURJKSA-N 314.473 4.790 30 20 DJED C=CCCC(=O)Nc1ccccc1Oc1ccc(OCC)cc1 523228478 GJIPLRSAGWLABZ-UHFFFAOYSA-N 311.381 4.782 30 20 DJED N#CCc1ccc(CN2CCC(=Cc3ccccc3F)CC2)cc1 544144961 CKZRJFDIFHRLGL-UHFFFAOYSA-N 320.411 4.571 30 20 DJED C=CCC[C@H](NCc1ccc(OC)c(Cl)c1)c1ccco1 552062596 AISPFATZFFSQAS-HNNXBMFYSA-N 305.805 4.739 30 20 DJED C[C@@H](CC1CCCCC1)C(=O)N[C@@](C)(C#N)C1CCCCC1 568312760 DYCOPQDKIXRGNV-KXBFYZLASA-N 304.478 4.572 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1c(F)cccc1SCC 578702295 UENIKBUHXIQEFX-LBPRGKRZSA-N 308.422 4.510 30 20 DJED COc1ccsc1C(=O)/C=C\c1cccc(-c2cccnc2)c1 588489051 MWKYUTAORCTWDD-FPLPWBNLSA-N 321.401 4.715 30 20 DJED O=C(/C=C\c1ccc(F)nc1)c1cc2cc(Cl)ccc2o1 588524018 TUCUVADWRJDLEX-RJRFIUFISA-N 301.704 4.516 30 20 DJED N#Cc1ccc(CN[C@H](c2ccccc2)C(F)(F)F)cc1Cl 589727898 PUZGRQVOQMHZBL-OAHLLOKOSA-N 324.733 4.605 30 20 DJED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C3CCC3)c2C#N)C1 602288126 KQNUNRSTTVMEFQ-LBPRGKRZSA-N 316.470 4.509 30 20 DJED C[C@@H](NC(=O)Nc1cccc(C#N)c1)c1cccc2ccccc12 603645854 UNBYSJACGHIROH-CQSZACIVSA-N 315.376 4.594 30 20 DJED CCCC[C@H](CC)COCc1cccc(NC(=O)[C@@H](C)C#N)c1 609921191 XFUKICSSMCCVCN-HOTGVXAUSA-N 316.445 4.518 30 20 DJED Cc1cc(C#N)ccc1CN[C@H](C)c1cccc2ccccc12 614407188 HPLBQEXFSKXTCB-MRXNPFEDSA-N 300.405 4.871 30 20 DJED Cc1ccc2cc([C@@H](C)N[C@@H]3CCc4cc(C#N)ccc43)oc2c1 618805347 GQOAWJWGSRNARB-AUUYWEPGSA-N 316.404 4.951 30 20 DJED C[C@H]1CCCCN1C(=O)Nc1cccc(C#Cc2cccs2)c1 642480534 ZJPYVTZEJOPNCM-HNNXBMFYSA-N 324.449 4.554 30 20 DJED CC(=NNc1ncnc2c1oc1ccccc12)c1ccc(C)s1 725845048 HMQNRRYJKJHBBB-UHFFFAOYSA-N 322.393 4.582 30 20 DJED C#CCOc1cccc(NC(=S)Nc2cccc(C(C)C)c2)c1 730951897 RKQSBXSVVSCPOC-UHFFFAOYSA-N 324.449 4.631 30 20 DJED CC(C)(C)c1ncc(/C=C2/CSc3ccccc3C2=O)s1 736433484 VSCNNTOXNSZCQP-FLIBITNWSA-N 315.463 4.813 30 20 DJED COCc1cccc(/C=C2/C(=O)c3ccsc3S[C@H]2C)c1 742436015 DRHZJFHJCSWWEG-ZRRZQRFHSA-N 316.447 4.655 30 20 DJED C#CC[C@@H](NC(=O)Nc1cccc2ccsc12)c1ccccc1 757901470 UPURKIWEAAADHD-MRXNPFEDSA-N 320.417 4.787 30 20 DJED CC(C)Oc1ccc(C(=O)/C=C/c2cnc(C(C)C)s2)cc1 758428289 CMTQBPDQYLCGSQ-MDZDMXLPSA-N 315.438 4.950 30 20 DJED C[C@@H](C=NNCc1cnc2ccccc2c1)CCc1ccccc1 764776337 XHLVJFNTXAQDMF-QGZVFWFLSA-N 317.436 4.579 30 20 DJED C[C@H](N[C@@H](C)c1nc2ccccc2s1)c1cccc(C#N)c1 766348792 BHUUZQVWMPKWQX-STQMWFEESA-N 307.422 4.580 30 20 DJED C#CC[C@@H](NCc1cccc(OCC(C)C)c1)c1ccccc1 768939014 YHMYOIZIALCLKR-OAQYLSRUSA-N 307.437 4.576 30 20 DJED O=C1/C(=C\c2cscc2Cl)CCc2ccc([N+](=O)[O-])cc21 773148674 GDIPKQHKRQUVEQ-YHYXMXQVSA-N 319.769 4.522 30 20 DJED C[C@H]1CC(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)C[C@H](C)C1 797566614 OVPIRXZAYNTTLW-BZPMIXESSA-N 318.486 4.689 30 20 DJED CC(C)(CCC#N)COC(=O)c1ccc(Oc2ccccc2)o1 798876821 LUNKYBOBQRWEED-UHFFFAOYSA-N 313.353 4.559 30 20 DJED C=CCCCOC(=O)C(C)(C)c1csc(-c2cccs2)n1 800291551 BQYISRQOJUAAQH-UHFFFAOYSA-N 321.467 4.659 30 20 DJED CC(=NNc1nccnc1C1CCC1)C12CC3CC(CC(C3)C1)C2 807993834 GMJRPLQMCNVCOQ-UHFFFAOYSA-N 324.472 4.748 30 20 DJED COCc1ccccc1/C=C(C)/C=C1/Cc2ccccc2C1=O 814188023 UXAKWYVQTVKLMW-DDQZDWCKSA-N 304.389 4.602 30 20 DJED CC(C)=CCCC(C)=NNc1nnc(-c2ccccc2)s1 814946340 GVBXWJAAJVMPNW-UHFFFAOYSA-N 300.431 4.739 30 20 DJED O=C(/C=C/c1ccc(Cl)s1)c1cccc(OC(F)F)c1 834761450 QOKAHNSYUCCEOV-GQCTYLIASA-N 314.740 4.899 30 20 DJED CC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1O 841761727 KHGLICOCFZZUSE-RTBURBONSA-N 324.399 4.521 30 20 DJED Cc1cc(C#N)ccc1N[C@@H](C)c1nc(C(F)(F)F)cs1 846752482 AWPNNZDJIZLFTL-VIFPVBQESA-N 311.332 4.515 30 20 DJED C=CCN(C(=O)CC(c1ccccc1)c1ccccc1)C(C)C 914683743 YXDODYVHGREOLA-UHFFFAOYSA-N 307.437 4.632 30 20 DJED Oc1cccc(C=Nc2ccc(-c3ccccc3)cc2F)c1O 914701497 JAWNYZKZHZJSSE-UHFFFAOYSA-N 307.324 4.655 30 20 DJED C=CCN(Cc1cccs1)C(=O)/C=C(\C)c1ccc(F)cc1 921277239 UQSSGWAYHPYAMP-WYMLVPIESA-N 315.413 4.505 30 20 DJED C=C[C@@H](CC)CC(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C 932575306 ANCAVFYHWQHQAL-AWEZNQCLSA-N 316.445 4.520 30 20 DJED CC[C@H]1CC[C@H](C(=O)N(c2ccccc2C#N)C2CCC2)CC1 1131149667 JULUIDRNIZEIHE-WKILWMFISA-N 310.441 4.660 30 20 DJED Cc1c(Cl)cnc(N[C@H](C)C(C)(C)c2ccccc2)c1C#N 1162823554 PATOBVOADLDWAT-CYBMUJFWSA-N 313.832 4.693 30 20 DJED N#Cc1cccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)c1 1252522874 LCDDUASIVPKNMQ-UHFFFAOYSA-N 323.355 4.942 30 20 DJED CN(Cc1ccc(Cl)cc1C#N)[C@@H]1CCC[C@H]1C(C)(C)C 1307853045 OYBBYRJPAYGCQR-IAGOWNOFSA-N 304.865 4.858 30 20 DJED C[C@H](Nc1snc(Cl)c1C#N)c1ccc(Cl)c(F)c1 1323206910 PNVWECGULLLKEG-LURJTMIESA-N 316.188 4.634 30 20 DJED Cc1ccc([C@H]2[C@H](C)CCCN2c2ccc(C#N)c(C)n2)cc1 1458210855 GIGQRVABJZHSSB-FOIQADDNSA-N 305.425 4.548 30 20 DJED Cc1ccccc1[C@H](Nc1nccnc1C#N)[C@H]1CCC[C@@H](C)C1 1472691198 PGVNSXLROHEBAU-SIXWZSSISA-N 320.440 4.636 30 20 DJED CC(C)[C@H](CNc1nc(Cl)c(C#N)s1)Cc1ccccc1 1472763247 PNWPYTHFSPRJIE-ZDUSSCGKSA-N 319.861 4.595 30 20 DJED Cc1cc(SCC2CCCC2)n2c(nc3ccccc32)c1C#N 1472901356 IGDAIZNPRBIHTA-UHFFFAOYSA-N 321.449 4.950 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1ccc(-c2ccccc2)s1 1516698681 CDJKTBLJRVCUBW-UHFFFAOYSA-N 318.401 4.848 30 20 DJED CC(C)COc1ccccc1C(=O)O[C@H](C)c1cccc(C#N)c1 1518199059 KBVMJQAPYVKMOM-OAHLLOKOSA-N 323.392 4.511 30 20 DJED CC[C@H](C)CC(=O)Nc1sc2c(c1C#N)[C@H](C)[C@@H](C)CC2 1527164919 QYBKGJWGOKSAIF-SDDRHHMPSA-N 304.459 4.680 30 20 DJED C[C@@H](NC(=O)CC1(C#N)CCCCC1)c1cc(Cl)ccc1F 1528039352 QARSSELRWLOTKL-GFCCVEGCSA-N 322.811 4.520 30 20 DJED N#Cc1ccc(CCN2CCCCC[C@H]2c2ccccc2)cc1 1559513701 YDXXJFVYXUGFGN-NRFANRHFSA-N 304.437 4.718 30 20 DJED Cc1cccc2[nH]c(CN(Cc3ccc(C#N)cc3)C(C)C)cc12 1560638823 KTLGTNFSUKONDW-UHFFFAOYSA-N 317.436 4.759 30 20 DJED Cc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)cs1 1587266904 QKICSVDHHMEKDL-UHFFFAOYSA-N 318.401 4.848 30 20 DJED N#Cc1ccc(CN[C@@H]2CCCC[C@H](c3ccccc3)C2)cc1F 1621393111 NEIJXJSSYGZJMQ-AZUAARDMSA-N 322.427 4.903 30 20 DJED C[C@H]1CCCC[C@H]1CCNc1c(Br)cccc1C#N 1639478935 YRIISRKBICJRFN-STQMWFEESA-N 321.262 4.949 30 20 DJED CCC[C@@H](Nc1cccc(F)c1C#N)c1ccc(F)cc1F 1642437848 QWCBSDOYYVVQHM-MRXNPFEDSA-N 304.315 4.929 30 20 DJED COCC[C@@H](Sc1ccc(C#N)cc1F)c1ccccc1 1643724510 JEVZPEZIGUYEDO-MRXNPFEDSA-N 301.386 4.567 30 20 DJED CC(C)Oc1ccccc1CSc1cccc(F)c1C#N 1652861279 WBFCSMJYUGEMIL-UHFFFAOYSA-N 301.386 4.777 30 20 DJED CCCCC1CCC(Nc2nnc(CC)c(CC)c2C#N)CC1 1655016138 FIHOBRTUIGTNKI-UHFFFAOYSA-N 314.477 4.634 30 20 DJED CC1(C)CCC[C@@H](Nc2c(Br)cccc2C#N)C1 1655382882 WJUJNBISMFJUKX-GFCCVEGCSA-N 307.235 4.701 30 20 DJED CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCCc3ccccc32)n1 1655920926 RRTMBNJWMBDMMN-QGZVFWFLSA-N 305.425 4.740 30 20 DJED Cc1ccc([C@@H]2CCCCCN2Cc2ccc(C#N)c(C)c2)o1 1663708510 CLGXIRKWWYPPDD-IBGZPJMESA-N 308.425 4.885 30 20 DJED C=C(CNC(=O)Nc1ccccc1OCC(C)C)c1ccccc1 1668098902 PDKBIYHQVVXDPQ-UHFFFAOYSA-N 324.424 4.556 30 20 DJED C=CCn1c(SCc2ccccc2C)nnc1-c1ccccc1 14067667 YDDLVCHOSMHIRF-UHFFFAOYSA-N 321.449 4.732 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1cccc(C)c1C 43141595 KYODQDBQIMPZQP-UHFFFAOYSA-N 300.427 4.585 30 20 DJED Cc1ccccc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 66800864 SNHLBODXHZCZIK-AWEZNQCLSA-N 310.422 4.642 30 20 DJED CCOc1cc(/C=C/C(=O)c2ccc(CC)s2)ccc1OC 104948839 QOLKDNYEMZELQE-RMKNXTFCSA-N 316.422 4.614 30 20 DJED Cc1ccc(C(=O)/C=C/c2cnc(-c3cccs3)s2)o1 177612969 WCUJPBGMIQECFR-AATRIKPKSA-N 301.392 4.669 30 20 DJED CCOc1ccccc1[C@@H](CC)NCc1ccc(C#N)cc1C 186319902 VFTDHUAYUFIWDJ-LJQANCHMSA-N 308.425 4.506 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2csc(-c3cccs3)n2)cc1 209742283 KYOAHOZDMXFDGE-FPLPWBNLSA-N 322.414 4.639 30 20 DJED O=C(/C=C\c1ccc(Cl)nc1)c1ccc(Cl)c(Cl)c1 217021175 GEWVFSPSEBDAME-KTAJNNJTSA-N 312.583 4.938 30 20 DJED C=C(Br)CN1Cc2ccccc2-c2ccccc2C1 303175144 RUPZGROMXSDKFY-UHFFFAOYSA-N 314.226 4.578 30 20 DJED C[C@@H]1C[C@H]1c1ccc(CN(Cc2ccc(F)cc2C#N)C2CC2)o1 303234421 ZRJMLRCYDQMJQD-BFUOFWGJSA-N 324.399 4.578 30 20 DJED Cc1cccc([C@@H](C)/N=C(/O)Nc2scnc2C2CC2)c1C 328920317 LSSYNTPUXIOJHY-GFCCVEGCSA-N 315.442 4.724 30 20 DJED Cc1ccc(N/C(O)=N/Cc2nc(C(C)(C)C)cs2)c(C)c1 330643135 ROYCFOFIZIUXQH-UHFFFAOYSA-N 317.458 4.584 30 20 DJED C[C@@H](NCc1cscn1)c1ccc(-c2cccc(C#N)c2)cc1 374690597 AKVGQZLVUBUGEJ-CQSZACIVSA-N 319.433 4.533 30 20 DJED C[C@@H](N[C@@H](CC(F)F)c1ccccc1)c1ccc(C#N)cc1 421880617 QOWQJYVBKBQRIA-DYVFJYSZSA-N 300.352 4.605 30 20 DJED C=CCC[C@H](NC(=O)[C@H](C)c1cccc(OC)c1)c1ccccc1 435272883 UGSCJMLBDZVAGJ-UZLBHIALSA-N 323.436 4.622 30 20 DJED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc2ccccc2s1 436300591 JYLNKOYRHOYGEK-YEWWUXTCSA-N 301.455 4.533 30 20 DJED C=C[C@](C)(CC)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 442847493 XUUSRPQTJLOKFU-IFMALSPDSA-N 319.448 4.763 30 20 DJED CC1(C#N)CCC(Nc2ccc(Cl)c(OC(F)F)c2)CC1 449233039 XAKPZFSYJZBXIY-UHFFFAOYSA-N 314.763 4.826 30 20 DJED N#C[C@H]1CCC[C@@H](NCCC(c2ccccc2)c2ccccc2)C1 463278890 DTAWOHDRSAKKJO-GHTZIAJQSA-N 318.464 4.881 30 20 DJED Cc1cc(N2CCCC[C@@H]2C)ccc1N[C@H]1CCC[C@H](C#N)C1 463301119 OEWZMTDOZQZNOG-BZSNNMDCSA-N 311.473 4.868 30 20 DJED CCCC[C@@H](CCC)NC(=O)C[C@@H](CC#N)c1ccccc1 476243834 FFHVSHFVFUWKCO-QZTJIDSGSA-N 300.446 4.549 30 20 DJED N#C[C@@H](NC(=O)C1=CCCCCC1)c1cccc(Cl)c1Cl 481869524 DRWYKAKMCJOEKD-CQSZACIVSA-N 323.223 4.565 30 20 DJED C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)c1cc2ccccc2o1 482570508 XOVHPZJNUNUORI-NSHDSACASA-N 324.767 4.700 30 20 DJED C=CCC[C@H](C(=O)Nc1ccc(C)cc1OC)c1ccccc1 488673221 GFELZGNFYAKDLD-KRWDZBQOSA-N 309.409 4.692 30 20 DJED COC[C@H](c1ccc(Cl)cc1)N(C)CCCCC(C)(C)C#N 490077064 CSFNMWOVHSXUIG-QGZVFWFLSA-N 322.880 4.679 30 20 DJED CCCN(c1ncccc1C#N)[C@H](C)c1cc2ccccc2o1 498868678 STTGABZOBVSZMC-CQSZACIVSA-N 305.381 4.677 30 20 DJED C=CCN(Cc1ccccc1)Cc1csc(-c2ccoc2)n1 521252279 FTKYBOYAYCMPEY-UHFFFAOYSA-N 310.422 4.591 30 20 DJED N#Cc1cccc(CN[C@H](c2ccccc2)C2CCCC2)c1F 540294658 CCXDICGROMAUIC-HXUWFJFHSA-N 308.400 4.718 30 20 DJED C=CCC[C@H](NCCCCN1CCCC[C@H]1C)c1ccco1 552225381 FYWHUKRQAXRIPO-MSOLQXFVSA-N 304.478 4.531 30 20 DJED C[C@@H](N[C@]1(C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1Cl 556219518 AKYDNWQELCTRIW-XVGQJIODSA-N 310.828 4.808 30 20 DJED C=CCC(C)(C)C(=O)N(CC)Cc1cccc(-c2ccncc2)c1 556342119 WHFQUNGPTPBIDO-UHFFFAOYSA-N 322.452 4.699 30 20 DJED C[C@H](NCc1cc2ccccc2o1)c1ccc(C#N)cc1Cl 559457330 DYVXXUPFWBZOCG-LBPRGKRZSA-N 310.784 4.809 30 20 DJED C/C(=C\c1ccccc1C(F)(F)F)CN1CCC[C@H](CC#N)C1 597176716 JKICQHRQOVDMNB-ATGUSINASA-N 322.374 4.734 30 20 DJED N#Cc1cc([N+](=O)[O-])ccc1Nc1cccc(NC2CCCC2)c1 609840016 YLNSCSNPJLBRBU-UHFFFAOYSA-N 322.368 4.565 30 20 DJED C=CCCSCC(=O)Nc1ccc(Oc2ccccc2)cc1 610088822 BNDLEDKGTNEXGQ-UHFFFAOYSA-N 313.422 4.727 30 20 DJED CC[C@@H](NCc1ccc(C#N)cc1C)c1ccc(Cl)s1 614405689 CHHRKTNIYSHQMY-CQSZACIVSA-N 304.846 4.823 30 20 DJED CC(=NNc1ccc(OC(F)F)cc1)c1ccc(Cl)s1 726427372 WDQFGVGZHWHRLD-UHFFFAOYSA-N 316.760 4.839 30 20 DJED CCc1c(C)sc(NC(=O)c2ccc(C(F)F)cc2)c1C#N 727790763 QUSGLBOTIREFOA-UHFFFAOYSA-N 320.364 4.681 30 20 DJED CCCCCC[C@H](CC)C(=O)N[C@@H](C)c1cccc(C#N)c1 743776904 KEBOTMWJLTUEPG-RDJZCZTQSA-N 300.446 4.732 30 20 DJED CC[C@H](C)Oc1cccc(NCc2ccc(O[C@H](C)C#N)cc2)c1 747099046 IEXAQJFYYVXKMW-JKSUJKDBSA-N 324.424 4.767 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2cccc(-c3ccccn3)c2)cc1 747697451 BYPYQKVVQXUWSI-XFXZXTDPSA-N 310.356 4.516 30 20 DJED CC(C)Oc1cccc(/C=C\C(=O)c2c[nH]c3cc(F)ccc23)c1 749451584 GVRLTNISNAZDQJ-TWGQIWQCSA-N 323.367 4.990 30 20 DJED C=CCCCC(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 763015591 ROKLSMQSMQVYEZ-FQEVSTJZSA-N 323.436 4.648 30 20 DJED Cc1ccccc1[C@@H](CC(F)(F)F)/N=C\c1cccc(O)c1O 766283951 OUJCLPDHBMNDNX-YYLUKMIBSA-N 323.314 4.519 30 20 DJED CC(=O)Nc1ccc(/C=C2/C(=O)c3ccccc3[C@@H]2C(C)C)cc1 766505404 HPOOBSBZPOYIFJ-RQRMZWKBSA-N 319.404 4.665 30 20 DJED CCc1nn(C)cc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1 770569621 RNFGEQCQPNNXIZ-BUHFOSPRSA-N 316.404 4.546 30 20 DJED C#CCOc1ccccc1NC(=O)Nc1ccccc1C(C)(C)C 775435691 XFYWRMSBRHKWRO-UHFFFAOYSA-N 322.408 4.640 30 20 DJED CC(C)Oc1ccc(N[C@@H]2CCCc3cc(C#N)ccc32)cc1 776812237 WGTNJUURROHART-HXUWFJFHSA-N 306.409 4.835 30 20 DJED O=C1/C(=C/c2cnc(-c3ccco3)s2)CCc2ccccc21 788099676 STQJRFQAKRKTCQ-JLHYYAGUSA-N 307.374 4.616 30 20 DJED CC(=NNc1cc(Cl)cc(Cl)c1)C1CCSCC1 790201803 LMBFXTGHAOBAGL-UHFFFAOYSA-N 303.258 4.924 30 20 DJED CC(C)(C)c1cnc(/C=C\C(=O)c2cc(F)cc(F)c2)s1 790601447 UXILOAWVYGBWPU-PLNGDYQASA-N 307.365 4.615 30 20 DJED CC[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc(C)cc1O 794819139 XYXDSLWENYMKOI-LJQANCHMSA-N 324.424 4.946 30 20 DJED Fc1cccnc1NN=Cc1sc2ccccc2c1Cl 794990315 LKWUNONTJQCEOB-UHFFFAOYSA-N 305.765 4.535 30 20 DJED CC(=NNc1ccc(Cl)cc1Cl)c1coc(C(C)C)n1 799472864 RUUOZHHLWVZCGY-UHFFFAOYSA-N 312.200 4.941 30 20 DJED O=C(/C=C/c1scnc1C1CC1)c1c(F)cccc1Cl 809158364 AAYTXTJPGWAXJN-VOTSOKGWSA-N 307.777 4.709 30 20 DJED C[C@@H](/N=C/c1ccccc1O)c1ccc(OCC(F)(F)F)cc1 920387452 PJJHWPAMXBSYDT-FZTAQKCPSA-N 323.314 4.513 30 20 DJED CC(=O)Nc1ccc(C(C)=NOCc2c(C)cc(C)cc2C)cc1 920837110 UOFODTVUPXQAND-UHFFFAOYSA-N 324.424 4.511 30 20 DJED CCCC[C@@H](CCC)CNC(=O)c1ccc(Cl)c(C#N)c1 1127050818 WKMZLKNGRYKKFW-CYBMUJFWSA-N 306.837 4.548 30 20 DJED CCc1ccc([C@@H](C#N)N(C)C(=O)C[C@H](C)CC(C)(C)C)cc1 1129379420 LFZXSQGJYUVVJZ-MAUKXSAKSA-N 314.473 4.734 30 20 DJED CN(Cc1cc(Cl)cc(Cl)c1)c1cccc(F)c1C#N 1184915845 GDLVQUIWWUHBCU-UHFFFAOYSA-N 309.171 4.641 30 20 DJED Cc1nc(N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)ccc1C#N 1186707019 ZUHBPWCHGMPWHW-YOEHRIQHSA-N 311.816 4.663 30 20 DJED CCN(C(=O)OCC1CCCCC1)[C@@H](C)c1ccc(C#N)cc1 1208370689 VMDGRCVQWBOCIU-HNNXBMFYSA-N 314.429 4.658 30 20 DJED Cc1c(C#N)cccc1C(=O)Nc1cccc(OCCC(C)C)c1 1351586558 XGNMWXNESNOMMQ-UHFFFAOYSA-N 322.408 4.544 30 20 DJED CCN(C(=O)[C@H](C)c1ccccc1C)[C@H](C)c1ccc(C#N)cc1 1354501890 GAEYACIGQVWOAY-IAGOWNOFSA-N 320.436 4.580 30 20 DJED CCCC[C@@H](C(=O)N(CCC)Cc1ccc(C#N)cc1)C(C)C 1358460453 SUGKQSGYHDESRU-LJQANCHMSA-N 314.473 4.759 30 20 DJED N#Cc1cnc(SCc2ccccc2C2CC2)c(Cl)c1 1458329916 HAKSDUWNLUHFIL-UHFFFAOYSA-N 300.814 4.776 30 20 DJED CCN(C[C@H](C)CCC#N)[C@@H](Cc1ccc(F)cc1)C(C)C 1474345511 PTDUWTPJHJDKFL-APWZRJJASA-N 304.453 4.655 30 20 DJED C=C(Cl)Cn1c([C@@H](C)CC)nnc1N(C)CC1CCCCC1 1507855934 VOKBECOUAOWCII-ZDUSSCGKSA-N 324.900 4.561 30 20 DJED CC(C)c1cccc(C(=O)N[C@@H](CCC#N)c2ccccc2)c1 1519315066 ZNCAUGBWQPNFKQ-IBGZPJMESA-N 306.409 4.585 30 20 DJED CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)c(C#N)c1 1537049573 NODGDTZLCPJQKM-DYVFJYSZSA-N 318.848 4.546 30 20 DJED N#Cc1ccc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1Br 1639474623 PDCCRRFUHGMVJO-YRGRVCCFSA-N 319.246 4.701 30 20 DJED Cc1cccc(-c2ccc(CNc3ccc(C#N)c(C)n3)cc2)c1 1642298354 ALEIIXPXOKLZMB-UHFFFAOYSA-N 313.404 4.849 30 20 DJED CC(C)(C)[C@H]1Cc2ccccc2N(Cc2ccc(C#N)s2)C1 1644144320 MJDOGLODKWDVMN-HNNXBMFYSA-N 310.466 4.845 30 20 DJED N#Cc1ccc(CNC2(c3ccccc3Cl)CC2)c(Cl)c1 1646380683 NTZNOZKPQTVMOV-UHFFFAOYSA-N 317.219 4.644 30 20 DJED Cc1ccccc1[C@@H]1CCCN1Cc1ccc(Cl)cc1C#N 1652308488 ZDTGBCCLPDFGAC-IBGZPJMESA-N 310.828 4.857 30 20 DJED C=C(CNC(=O)N(CCC(C)C)CCC(C)C)c1ccccc1 1686697229 UPBQJBIJVMSOMH-UHFFFAOYSA-N 316.489 4.804 30 20 DJED CC(CCCCCCC(=O)O)=NNc1cccc(C)c1Cl 1776106690 QRXOPKZIQYMGIR-UHFFFAOYSA-N 310.825 4.861 30 20 DJED C=CCCCCCCCCCNc1ccc(C(=O)O)c(C)n1 1776172520 VWKVDGCUMYRFTL-UHFFFAOYSA-N 304.434 4.807 30 20 DJED CCCc1cccc(/C=C/C(=O)c2cc(C(=O)O)ccc2C)c1 1776835552 QSRWUYJJGVQDCL-PKNBQFBNSA-N 308.377 4.542 30 20 DJED N#Cc1cccc(CSc2ccc(Br)cc2)c1 36961316 VMSAEKWKVSQYIY-UHFFFAOYSA-N 304.212 4.613 30 20 DJED N#Cc1ccc(NCc2cccc(C(F)(F)F)c2)c(Cl)c1 62790742 MNQINRNUBLGBPD-UHFFFAOYSA-N 310.706 4.843 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1ccccc1C 69606530 DTLSBPIPMHZNKN-IBGZPJMESA-N 319.408 4.544 30 20 DJED CCCCCCCC(=O)Nc1cc(NC(C)=O)ccc1Cl 105350092 ALMQXXOXXQSKIT-UHFFFAOYSA-N 310.825 4.597 30 20 DJED N#CC1CCN(Cc2c3ccccc3cc3ccccc23)CC1 123720627 WCWNLVXRTQQDEZ-UHFFFAOYSA-N 300.405 4.729 30 20 DJED CC(C)Oc1cccc(CNc2cccc(OCCCC#N)c2)c1 129330521 LKADEVHZPZOQPS-UHFFFAOYSA-N 324.424 4.768 30 20 DJED Cc1ccc(C#N)cc1NCc1nc(-c2cccs2)oc1C 178342213 NBGMEANMOLRGRU-UHFFFAOYSA-N 309.394 4.504 30 20 DJED CCCCC[C@@](C)(CC)C(=O)Nc1ccccc1O[C@@H](C)C#N 189809380 ZKZJHZQNRSMEOS-HNAYVOBHSA-N 316.445 4.913 30 20 DJED CC(C)Oc1ccc(N[C@H](C)c2ccc(OCC#N)cc2)cc1 192956684 YNSZCFGPZAXOHT-OAHLLOKOSA-N 310.397 4.549 30 20 DJED C/C(=C/c1ccccc1)CNc1cccc(OCCCC#N)c1 236706888 PIJSFPXADOYHCC-VKAVYKQESA-N 306.409 4.885 30 20 DJED Clc1ccc(-c2cnc(CON=Cc3cccs3)o2)cc1 252452799 DZYMMYCAQIVWQU-UHFFFAOYSA-N 318.785 4.607 30 20 DJED C=CCCC(=O)N(CC)[C@H](c1ccccc1)c1ccc(F)cc1 303353871 YXPATANNGHGOIO-HXUWFJFHSA-N 311.400 4.730 30 20 DJED CCc1ccccc1N=C(O)C1CCC(/N=C(/O)C2CC2)CC1 329965806 RIKFILZJFGWRHX-UHFFFAOYSA-N 314.429 4.762 30 20 DJED C[C@H](CC(=O)N[C@H](CCCC#N)c1ccccc1)C(C)(C)C 352193464 SOUQDRLHDAMBAL-NVXWUHKLSA-N 300.446 4.610 30 20 DJED Cc1occc1-c1noc(-c2sc3ccc(C#N)cc3c2C)n1 426565017 KLJXOWGUMBHHMK-UHFFFAOYSA-N 321.361 4.700 30 20 DJED Cc1nc(S[C@H](C)c2cccc(C#N)c2)n(CC(C)C)c1C 442913961 KGGJLWOFYBTYJV-OAHLLOKOSA-N 313.470 4.881 30 20 DJED CC[C@H](N[C@H](CC)c1ccc(C#N)cc1)c1ccc(OC)cc1 447511238 SNDJNMDLOHBBEG-UXHICEINSA-N 308.425 4.759 30 20 DJED CC[C@H](NC1(c2cccc(Cl)c2)CC1)c1ccc(C#N)cc1 447580324 NVZKSXIVQIMBHG-SFHVURJKSA-N 310.828 4.942 30 20 DJED C=CCCCN[C@@H](Cc1cccnc1)c1ccc(Cl)cc1 448026094 GWRXQPRGMKRUBQ-SFHVURJKSA-N 300.833 4.575 30 20 DJED C=CCC1(C(=O)Nc2ccc(C)c(-c3ncco3)c2)CCCC1 450145074 IHNOVBUEOVLAPO-UHFFFAOYSA-N 310.397 4.725 30 20 DJED N#CC1(CSc2ncc(C(F)(F)F)cc2Cl)CCC1 450552776 ABCBIUIPNFDGJB-UHFFFAOYSA-N 306.740 4.540 30 20 DJED CC(C)c1cnc(-c2ccc(N[C@H]3CCC[C@@H](C#N)C3)cc2)o1 463277733 DUSOQUFVDUMVNI-PBHICJAKSA-N 309.413 4.959 30 20 DJED CCCC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(OC)cc1 463280637 FEXQGEMZOZUAEP-AYBZRNKSSA-N 300.446 4.598 30 20 DJED C=CCCN(C)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 466591546 AAIBPWKBAACHDS-UHFFFAOYSA-N 316.351 4.672 30 20 DJED CC#CCCCC(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 467842621 ZWAKFYXBTQNXAY-HDJSIYSDSA-N 324.251 4.549 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](C)c1ccccc1F 470643497 GSOWPBKMCPFKGI-INIZCTEOSA-N 311.400 4.534 30 20 DJED C[C@@H](Nc1ccc(CC#N)cc1)C1CCC(C(F)(F)F)CC1 474928416 UGTWJNFLQYLINO-LRVUVFPRSA-N 310.363 4.922 30 20 DJED C=C(C)[C@@H](N[C@@H](C)c1ccc(Cl)cn1)c1ccc(F)c(F)c1 480676844 OWDSVGXJTYJMTM-APPDUMDISA-N 322.786 4.981 30 20 DJED CCN(Cc1ccc2ccccc2c1)C(=O)C1(C#N)CCCCC1 482435683 LHHOOZOHYDUORR-UHFFFAOYSA-N 320.436 4.662 30 20 DJED CC(C)(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C1CC1 486191350 CAKIIBQJLUWGCF-UHFFFAOYSA-N 320.392 4.725 30 20 DJED N#Cc1cc(Cl)cc(OCc2csc(-c3ccco3)n2)c1 487299938 PZVDRFYWDHUWFC-UHFFFAOYSA-N 316.769 4.507 30 20 DJED C=CCN(CCc1ccco1)C(=O)Nc1ccc(/C=C/C)cc1 497404992 DUEIWHSUXMDLNR-ZZXKWVIFSA-N 310.397 4.575 30 20 DJED C[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(C)(C)C 522335586 TWVPYMHVXJYQTI-AWEZNQCLSA-N 322.408 4.971 30 20 DJED CC[C@H](CC(=O)N(CCC#N)CC(C)(C)C)c1ccc(C)cc1 523086667 OWJGKXJNHIQBOM-QGZVFWFLSA-N 314.473 4.667 30 20 DJED C=CCn1c(SCCCCCF)nnc1-c1ccc(F)cc1 559981842 DGSZEHYOSDMGCZ-UHFFFAOYSA-N 323.412 4.502 30 20 DJED N#Cc1cc(Cl)ccc1CN[C@@H](c1ccccc1)C(F)(F)F 567557384 GYECHGMMMLCTOS-HNNXBMFYSA-N 324.733 4.605 30 20 DJED CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)CCCCCC#N 588679970 ZJDOVVBRPMRCRO-YLJYHZDGSA-N 312.457 4.536 30 20 DJED C=CCCCCCN(C)C(=O)c1oc2c(F)cccc2c1C 606816181 QDUDSLHAOWUNLW-UHFFFAOYSA-N 303.377 4.699 30 20 DJED C[C@@H](Sc1ncc(-c2ccccc2)[nH]1)c1ccc(C#N)cc1 609813840 YGQJOBDCDLGECI-CYBMUJFWSA-N 305.406 4.802 30 20 DJED CC(C)n1ncc2cc(N[C@@H](C)c3ccc(C#N)cc3)ccc21 611482962 OKFQPALQTZGGLP-AWEZNQCLSA-N 304.397 4.662 30 20 DJED CC(C)(C#N)CN[C@@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 613540329 JXBDBWWRUDMLIK-IUODEOHRSA-N 311.256 4.769 30 20 DJED CC(=NNc1cccc([N+](=O)[O-])c1C)c1oc2ccccc2c1C 727973076 CMQDMAVJHAKKNV-UHFFFAOYSA-N 323.352 4.794 30 20 DJED C[C@@H](C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1)c1ccco1 741509879 ODPPZCUPPZEHSU-CQSZACIVSA-N 317.344 4.527 30 20 DJED CSc1ccc(CSCc2ccc(OCC#N)cc2)cc1 742972732 DBRNRMKIFNOJID-UHFFFAOYSA-N 315.463 4.744 30 20 DJED N#CCCCCOC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 744141289 UKXFNUQQKWUXEZ-HXUWFJFHSA-N 321.420 4.640 30 20 DJED O=C(/C=C/c1cnn(-c2ccccc2)c1)c1coc2ccccc12 747706025 SXKADUWHTWOCJI-ZHACJKMWSA-N 314.344 4.515 30 20 DJED CC(=NNc1cc(C)ccc1F)c1[nH]c(-c2ccccc2)nc1C 759653944 XPZAKWVYENDLHJ-UHFFFAOYSA-N 322.387 4.669 30 20 DJED Cc1ccc([C@@H](C)N(C)Cc2ccc(N(C)CCC#N)cc2)cc1 768262344 IYSCFGTYKWHQMU-GOSISDBHSA-N 321.468 4.538 30 20 DJED CC(=NNc1cc(C#N)cc(Cl)n1)c1ccc2ccccc2c1 768380404 ODXLHNDGOPXKFZ-UHFFFAOYSA-N 320.783 4.596 30 20 DJED C#CC[C@@H](NCc1ccc(F)cc1C(F)(F)F)c1ccccc1 776253561 XWBOAMKUOOSKBW-QGZVFWFLSA-N 321.317 4.699 30 20 DJED O=C1/C(=C/c2nc3c(s2)CCCC3)[C@@H]2CCCc3cccc1c32 776264360 GJHQRXRYAPIUOL-JMRXEAOASA-N 321.445 4.722 30 20 DJED COc1cccc2cc(/C=C/C(=O)c3cccc(F)c3F)oc12 776268054 KRIJGWKPGUPAAT-CMDGGOBGSA-N 314.287 4.616 30 20 DJED CCOc1cccc2cc(C(C)=NOCCC(F)(F)F)oc12 777459630 KHBCCNXMRLVHPB-UHFFFAOYSA-N 315.291 4.525 30 20 DJED Cc1ccc(OC(F)F)c(/C=C/C(=O)c2ccnc(Cl)c2)c1 782185261 PKVOKBBVUBVYOB-ONEGZZNKSA-N 323.726 4.541 30 20 DJED CC(C)n1nccc1/C=C1\Cc2c(ccc(Cl)c2Cl)C1=O 794943404 YHTKPBHCIJCVQC-JXMROGBWSA-N 321.207 4.593 30 20 DJED C=CCC(C)(C)CNC(=O)c1ccccc1SC(F)(F)F 817456674 BAVGXIUEJJJYNI-UHFFFAOYSA-N 317.376 4.631 30 20 DJED CCOc1cccc(/C=N\[C@@H](C)c2cc(C)sc2C)c1O 914702063 VTJJPIGCELGYND-XACIZNRCSA-N 303.427 4.649 30 20 DJED CC(C)c1cccc(NC(=S)N[C@H](C)c2ccc(C#N)cc2)c1 917575319 WNURXLRZNOXFGX-CQSZACIVSA-N 323.465 4.729 30 20 DJED C[C@@H](OC(=O)c1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 917960254 PGZBWVCSGGDAEB-SNVBAGLBSA-N 320.175 4.783 30 20 DJED CC[C@H](C#N)[C@@H](OC(=O)C[C@@H](C)c1ccco1)c1cccs1 1123106236 MCGAGWRDSBUUCE-PBFPGSCMSA-N 317.410 4.669 30 20 DJED CCc1ccccc1COc1c(C#N)cnc2ccc(C)cc12 1166235913 WFVTYUHEMYCBJE-UHFFFAOYSA-N 302.377 4.556 30 20 DJED Cc1c(Cl)cnc(NCCC(C)(C)c2ccccc2)c1C#N 1184999237 TUGVWEKPZQGCDW-UHFFFAOYSA-N 313.832 4.695 30 20 DJED N#Cc1ccc(F)c(CSCc2ccc3ncccc3c2)c1 1255051888 INBWTJRLUKNAOL-UHFFFAOYSA-N 308.381 4.679 30 20 DJED CCC(CC)(CNc1cccc(C#N)n1)c1ccc(Cl)cc1 1306952528 FTFRZBUFCFXRFU-UHFFFAOYSA-N 313.832 4.777 30 20 DJED C[C@H](Sc1cccnc1C#N)c1cccc(Br)c1 1307342700 LGTNCWFLKYSFEJ-JTQLQIEISA-N 319.227 4.569 30 20 DJED CCC[C@@H]1[C@@H](C)CCCN1Cc1ccc(C#N)cc1OC(F)F 1307548503 WBPPGOMTSQMGNG-XJKSGUPXSA-N 322.399 4.560 30 20 DJED Cc1ccccc1[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCC2 1352476828 ISUGMJHFHVAJNX-CYBMUJFWSA-N 324.449 4.549 30 20 DJED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)CC1CCC1 1459705320 AFTOKJJXTIXQJF-UHFFFAOYSA-N 308.400 4.813 30 20 DJED C[C@@H]1CC[C@H](Nc2c(Br)cccc2C#N)[C@H](C)C1 1559107189 TXWVRNHDVPANGX-GYSYKLTISA-N 307.235 4.557 30 20 DJED N#Cc1cccc(Br)c1NCC[C@H]1C[C@H]2CC[C@H]1C2 1639386628 VAZKEUAGFVTUQL-AVGNSLFASA-N 319.246 4.559 30 20 DJED CC(C)(C)C[C@H]1CCN(c2ncc(C#N)cc2Cl)C1(C)C 1640153084 ZQWJNCHDHBMSHS-CYBMUJFWSA-N 305.853 4.648 30 20 DJED CC[C@H]1CCC[C@H]1Nc1cc(C)c(C#N)c2nc3ccccc3n12 1650870958 TXGUXHDOQABSKN-GOEBONIOSA-N 318.424 4.658 30 20 DJED N#Cc1cc(F)ccc1CN1CCC[C@@H]1CC1CCCCC1 1652386690 JIVGTVVMZJLZPZ-LJQANCHMSA-N 300.421 4.632 30 20 DJED CC(C)(C)c1ccc(CCNc2ncc(C#N)cc2Cl)cc1 1654969122 FNNDGBGMFUSUBU-UHFFFAOYSA-N 313.832 4.559 30 20 DJED Cc1cccc(C)c1[C@@H]1CCCN1Cc1cccc(C#N)c1F 1655033954 SNFVFLIRQNAWBT-SFHVURJKSA-N 308.400 4.651 30 20 DJED Cc1ccc(NC2CC(C#N)(c3ccccc3)C2)cc1OC(C)C 1659044445 DTEPHJUEJUIUBU-UHFFFAOYSA-N 320.436 4.818 30 20 DJED Cc1cc(NC(=O)N(CCC#N)CCC(C)C)c2ccccc2c1 1672037634 YJRZUPRLHHWHKD-UHFFFAOYSA-N 323.440 4.942 30 20 DJED Cc1cc(C)c(C#N)c(S[C@@H](C)c2ccc(F)cc2F)n1 59926830 VPYSCWWROONHDY-NSHDSACASA-N 304.365 4.702 30 20 DJED CCOc1ccc([C@H](C)N[C@@H](CCC#N)c2ccccc2)cc1 90665206 TXUVHGSUKQTJFB-JXFKEZNVSA-N 308.425 4.781 30 20 DJED N#Cc1c(Cl)nsc1SCc1ccc(Cl)cc1 92581779 MDUUBYTZZKIYJG-UHFFFAOYSA-N 301.223 4.614 30 20 DJED Cc1ccccc1CCC(=O)Nc1ccccc1SCCC#N 108201329 DHZGILLQYGTMNP-UHFFFAOYSA-N 324.449 4.572 30 20 DJED C=CCC[C@H](NCc1csc(CCC)n1)c1ccccc1 180034959 OCLRFAFMCKSXHB-KRWDZBQOSA-N 300.471 4.893 30 20 DJED C=CCC1(C(=O)Nc2ccccc2SC[C@H](C)C#N)CCC1 191899172 RQMIDLMSZSHTTO-CQSZACIVSA-N 314.454 4.623 30 20 DJED N#Cc1ccccc1C(=O)/C=C/c1cnc(-c2ccccc2)s1 194584921 XQPPVBHFBYADAM-ZHACJKMWSA-N 316.385 4.578 30 20 DJED N#Cc1cccc(C(=O)/C=C\c2ccc(Cl)cc2Cl)c1 206978359 UMJZWLHZZSCILY-ALCCZGGFSA-N 302.160 4.761 30 20 DJED C[C@H]1C[C@H](C)CC[C@@H]1Nc1ccc(C#N)c(Br)c1 228188209 JNPUEXWCNAVJMV-ZETOZRRWSA-N 307.235 4.557 30 20 DJED CCCCCCC[C@@H](C)Nc1ccc(NC(C)=O)c(OC)c1 236640763 DURFMYZQMCJKAZ-CQSZACIVSA-N 306.450 4.815 30 20 DJED C=CCC[C@@H](NCc1ccnc(SCC)c1)c1ccco1 287423911 KGOJINMYTOQOAO-OAHLLOKOSA-N 302.443 4.584 30 20 DJED CC(C)c1ccc(CNc2nc(C(F)(F)F)ccc2C#N)cc1 322275552 PWOIQPSRGZVITC-UHFFFAOYSA-N 319.330 4.708 30 20 DJED OC1=NC[C@@H](c2cccc(N=C(O)C3CCC(F)(F)CC3)c2)C1 328877343 IKKBNLBXYKUUQN-ZDUSSCGKSA-N 322.355 4.544 30 20 DJED N#CCC[C@@H](NC/C=C/c1ccc(F)cc1F)c1ccccc1 350092082 FKJHDERIYTVMDG-MTCRFPMVSA-N 312.363 4.613 30 20 DJED C=C(C)C(C)(C)C(=O)Nc1cnn(CCC(C)C)c1C(C)C 424808020 UCMSAQVNTOMHEJ-UHFFFAOYSA-N 305.466 4.593 30 20 DJED N#Cc1ccc(/C=C\c2nc(-c3cc4ccccc4o3)no2)cc1 445660747 WHTGPWZDXJMEOB-KTKRTIGZSA-N 313.316 4.525 30 20 DJED CCSc1ccc(-c2noc(-c3ccc(CC#N)cc3)n2)cc1 445767441 SSWAWYRBXJMPIC-UHFFFAOYSA-N 321.405 4.582 30 20 DJED C=CCCN(C)C(=O)c1cc2sc3ccccc3c2s1 468182284 HKSQLTBSSDLPKZ-UHFFFAOYSA-N 301.436 4.764 30 20 DJED C=CCCCCCN(C)C(=O)NC[C@@H]1CCCCC(F)(F)C1 490681258 WWQNMBYCUPDIQY-OAHLLOKOSA-N 316.436 4.590 30 20 DJED C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)c1ccc(Cl)cc1 512194907 LPCDSUQPWJDGDU-CQSZACIVSA-N 319.832 4.565 30 20 DJED N#CCCCSc1nc2ccccc2n1CCc1ccccc1 512832085 FZJQOFKTFMSTDH-UHFFFAOYSA-N 321.449 4.675 30 20 DJED CC[C@H](C)C(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 514536562 OKTYFIGCBPLBMX-AWEZNQCLSA-N 324.399 4.585 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)CC2(c3ccccc3)CC2)n1 528967002 RBWFBWSJGHVEPN-HNNXBMFYSA-N 324.449 4.565 30 20 DJED CC(C)(C#N)c1ccc(Nc2ncncc2-c2ccccc2)cc1 540349219 XWYQTVWYEPPSFT-UHFFFAOYSA-N 314.392 4.688 30 20 DJED CCn1c2ccccc2c2cc(NC[C@H](C#N)CCC#N)ccc21 554546256 GJCRUAYYYQCDQZ-HNNXBMFYSA-N 316.408 4.670 30 20 DJED C=C[C@@H](CC(=O)N1CCC=C(c2ccccc2)C1)c1ccccc1 556485066 HCNGTTVTOFVRDQ-SFHVURJKSA-N 317.432 4.662 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C 558315534 JXIPKRDTLUZLRY-GOEBONIOSA-N 313.445 4.545 30 20 DJED C=CCCC(=O)Nc1ccc(Sc2nc3ccccc3[nH]2)cc1 590413377 ZVVIQBKBKSETDK-UHFFFAOYSA-N 323.421 4.619 30 20 DJED N#CC1(CCSc2ccc(-c3ccco3)nn2)CCCCC1 593440801 DAAADWWACQTFOS-UHFFFAOYSA-N 313.426 4.693 30 20 DJED CCCCn1c(S[C@@H](C#N)Cc2ccccc2)nc(C)c1C 600816386 CLXWTKSASAHGNH-QGZVFWFLSA-N 313.470 4.527 30 20 DJED C[C@@H](Nc1cc(Cl)ccc1OC(F)F)c1cccc(C#N)c1 600851931 SBWUVHQROJOSRG-SNVBAGLBSA-N 322.742 4.986 30 20 DJED COc1cc(CNc2ccc(Cl)cc2SC)ccc1C#N 600862672 YYRZTMYEHPBEFU-UHFFFAOYSA-N 318.829 4.554 30 20 DJED C=CC[C@@H](C)NC(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 604900760 GZZMIGSQVZINEV-MNOVXSKESA-N 315.244 4.660 30 20 DJED CCC(CC)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209130 SFYXGEXIVDMQIX-UHFFFAOYSA-N 323.396 4.661 30 20 DJED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)c(F)c1 618807124 UYKWDGOBFUHBLJ-VOJFVSQTSA-N 314.791 4.689 30 20 DJED C=CCN(C(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1)c1ccccc1 641897363 QRFRZVNTOCUNRD-MAUKXSAKSA-N 309.409 4.555 30 20 DJED C=CCN(Cc1cccs1)C(=O)N[C@@H](C)CCCC(C)C 643218290 MWDDHZDWSNOAQO-HNNXBMFYSA-N 308.491 4.661 30 20 DJED C#Cc1cccc(N(CC)C(=O)c2cc3ccccc3s2)c1 728480741 IVHXZUWAJRAIJW-UHFFFAOYSA-N 305.402 4.549 30 20 DJED CCOc1ccc(C(=O)/C=C/c2nccc3ccccc23)cc1 740764499 WYRIJKSNTBKCQE-VAWYXSNFSA-N 303.361 4.530 30 20 DJED O=C(/C=C\c1ccccc1C(F)(F)F)c1ccc2c(c1)COC2 742437480 UTRMYPJTHGBHPY-FPLPWBNLSA-N 318.294 4.632 30 20 DJED CCCOc1ccc(/C=C\C(=O)c2ccsc2)cc1OCC 749104801 OFEWCIFRQQSVEW-ALCCZGGFSA-N 316.422 4.832 30 20 DJED Fc1ccc2[nH]cc(C=NOc3ccccc3C(F)(F)F)c2c1 754709591 LBKKXLQVHUAZFY-UHFFFAOYSA-N 322.261 4.739 30 20 DJED CC(=NO[C@H]1CCCCO1)c1ccc(Cl)c(C(F)(F)F)c1 755814541 MPMKPFJGCHFKTN-ZDUSSCGKSA-N 321.726 4.626 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc(F)c(C#N)c2Cl)s1 761477522 MFYWCHLCABGJQW-XQRVVYSFSA-N 305.761 4.617 30 20 DJED C=CC[C@@H](N[C@@H](CCC)c1ccc(OC)cc1)c1ccncc1 766023028 ZOKFAZZTGLFFEY-VQTJNVASSA-N 310.441 4.838 30 20 DJED O=C(/C=C\c1ccc(F)cc1Br)c1cccs1 767717122 UJSXNTGBUFMGDB-XQRVVYSFSA-N 311.175 4.546 30 20 DJED CCOc1ccc(/C=C2/CSc3c(F)cccc3C2=O)cc1 767905849 PVSCQCSNDMZYGH-RAXLEYEMSA-N 314.381 4.596 30 20 DJED CCOc1ccc(N[C@@H](CC)c2ccc(C#N)cc2)cc1OC 774313614 IZWIZWRBBRVDSC-KRWDZBQOSA-N 310.397 4.529 30 20 DJED Clc1c(CON=C2CCCOCC2)sc2ccccc12 778600241 AMFSIRNXBQXKMS-UHFFFAOYSA-N 309.818 4.628 30 20 DJED C#CCCCCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 779706504 GAJWGMLHQQYYKQ-UHFFFAOYSA-N 317.738 4.881 30 20 DJED Cn1ncc(Cl)c1/C=C/C(=O)c1cccc(-c2ccccc2)c1 780186059 CYQGZKOVPXMVDG-ZHACJKMWSA-N 322.795 4.637 30 20 DJED O=C(/C=C/c1ccc(-c2cccc(F)c2F)o1)c1cccnc1 790209898 AUMUQJMOSYLWDW-SOFGYWHQSA-N 311.287 4.516 30 20 DJED CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCCC2CCCC2)s1 797570330 FYAORRXNHJOGDE-AWEZNQCLSA-N 318.486 4.977 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccc(-c3cnn(C)c3)s2)cc1C 800792278 PWBCZFSDVXEDCJ-SOFGYWHQSA-N 322.433 4.662 30 20 DJED c1ccc(-c2nnc(NN=C3CC[C@H]3c3ccccc3)s2)cc1 814946172 CPCBGNAYCSEOKN-HNNXBMFYSA-N 320.421 4.551 30 20 DJED C#CCCCCCC(=O)N1CC[C@@H](C(F)(F)F)c2ccccc21 817482071 HTBFQEJQDPVNNT-OAHLLOKOSA-N 323.358 4.653 30 20 DJED CCCCCCCC(=O)c1ccc(OCc2nnc(C)o2)cc1 834476419 YCRMXXXHRIKCRZ-UHFFFAOYSA-N 316.401 4.500 30 20 DJED C=CC(C)(C)CNC(=O)c1c(Cl)ccc(Cl)c1Cl 836828768 ONVXDPLFHUKEHL-UHFFFAOYSA-N 306.620 4.589 30 20 DJED CC(C)(C#N)c1ccc(-c2nc(C3CCCCCC3)no2)cc1 904685273 HTLXZUDJGAUFHE-UHFFFAOYSA-N 309.413 4.976 30 20 DJED C=CCN(Cc1ccccc1)C(=S)NC[C@@H](CC)CCCC 914601817 VSISVCKXTDOADB-KRWDZBQOSA-N 318.530 4.766 30 20 DJED CCc1cccc2c(/C=C\C(=O)c3ccc(F)c(F)c3)c[nH]c12 916127677 SVIPKLRRTLBICP-CLFYSBASSA-N 311.331 4.905 30 20 DJED N#Cc1ccc(Sc2ccc(C(F)(F)F)c(Cl)n2)cc1 918735891 PPBHYLLNKOJOGW-UHFFFAOYSA-N 314.719 4.777 30 20 DJED CCCOc1ccc(N=Cc2ccccc2O)cc1OCCC 920941975 CDGMWQLZAARJBN-UHFFFAOYSA-N 313.397 4.720 30 20 DJED C=C(CNCc1cc(OC)cc(C(F)(F)F)c1)c1ccccc1 1177687535 BNBTYYQSCNJYNI-UHFFFAOYSA-N 321.342 4.517 30 20 DJED N#Cc1ccc(N[C@@H]2C[C@@H]2C2CCCCC2)cc1Br 1185555519 UCTRMODWDKQIFC-GDBMZVCRSA-N 319.246 4.701 30 20 DJED Cc1cc(C)c(/C=C/CN[C@H](C)c2ccc(C#N)cc2)c(C)c1 1199821937 CPEWQIRHMSNOHY-DUMMIQTOSA-N 304.437 4.848 30 20 DJED N#Cc1cccc(CN2C[C@@H]3CCCC[C@@]32c2ccccc2)c1F 1307534365 JDVNUKAFGGGEPI-PZJWPPBQSA-N 320.411 4.599 30 20 DJED C[C@@H](Nc1ncc(C#N)cc1Cl)c1ccc(Cl)c(F)c1 1324644742 OKQQSRMYHLGZLE-MRVPVSSYSA-N 310.159 4.572 30 20 DJED Clc1cncnc1NN=CC1CCC(c2ccccc2)CC1 1327013421 RQNITVZRVHTFNS-UHFFFAOYSA-N 314.820 4.502 30 20 DJED N#CCc1ccc(CSc2ncc(-c3ccccc3)o2)cc1 1329409967 KLNUFEWDFZEWIR-UHFFFAOYSA-N 306.390 4.700 30 20 DJED CC[C@H](Sc1ccccc1)c1nnc(-c2cccc(C#N)c2)o1 1341640388 MBXZCCLHISGWDP-INIZCTEOSA-N 321.405 4.852 30 20 DJED Cc1sc(NC(=O)c2cccc(C(C)(C)C)c2)c(C#N)c1C 1349963310 APSOPZZXYOPVTP-UHFFFAOYSA-N 312.438 4.786 30 20 DJED C[C@H](CC1CCCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1435301439 DDMQTHRLGMZGCZ-LLVKDONJSA-N 324.346 4.732 30 20 DJED CCC(C)(C)c1ccc(NC(=O)c2ccc(C#N)cc2OC)cc1 1525390414 ZMAWVBGCWIBYSW-UHFFFAOYSA-N 322.408 4.507 30 20 DJED C[C@H](C(=O)Nc1sc(-c2ccccc2)cc1C#N)C1CCC1 1525948262 IEWVLWZIHMGUGO-LBPRGKRZSA-N 310.422 4.661 30 20 DJED N#Cc1cc(Cl)ccc1CN1CC[C@@H](C2CCCCC2)C1 1559977038 LCGYJENDUFIGJO-MRXNPFEDSA-N 302.849 4.614 30 20 DJED Cc1cccc([C@@H](C)C(=O)N(c2ccc(C#N)cc2)C2CCC2)c1 1586912201 QZGLZTFVXMQAFT-MRXNPFEDSA-N 318.420 4.556 30 20 DJED CCC1(CC)CCCN(c2c(Br)cccc2C#N)C1 1612611190 RIEFYOTZKVHSTO-UHFFFAOYSA-N 321.262 4.727 30 20 DJED COc1cccc(N(Cc2ccc(C#N)cc2C)CC(C)C)c1 1615930621 CVVGIJPOXCRHCH-UHFFFAOYSA-N 308.425 4.538 30 20 DJED N#Cc1ccccc1Oc1ccc(Nc2ncc(Cl)cn2)cc1 1639339557 OJHCVHQOFLZLBP-UHFFFAOYSA-N 322.755 4.538 30 20 DJED CC[C@H](CC#N)N[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 1654666086 VVFPROGLWOOANM-QZTJIDSGSA-N 316.807 4.850 30 20 DJED CCCOc1cccc(CN(Cc2ccc(C#N)cc2)C(C)C)c1 1657116003 UENBBAJZFBJIKY-UHFFFAOYSA-N 322.452 4.758 30 20 DJED C[C@@H](CCC#N)CN1CCC(c2ccccc2C(F)(F)F)CC1 1657180448 ZJJZBXMOGWXUSL-AWEZNQCLSA-N 324.390 4.825 30 20 DJED N#CCc1cccc(C(=O)Nc2ccccc2-c2cccs2)c1 49621825 CEUSUOJMWJFCKV-UHFFFAOYSA-N 318.401 4.733 30 20 DJED CCN(C(=O)c1ccc(C#N)cc1)[C@@H](C)c1cc2ccccc2o1 55604879 YEQZYQRTXBNOHK-AWEZNQCLSA-N 318.376 4.528 30 20 DJED Cc1cc(Cl)ccc1CNc1ccccc1O[C@H](C)C#N 130588165 JLWSGTLOBXSFHJ-CYBMUJFWSA-N 300.789 4.551 30 20 DJED CCCCCCC[S@](=O)[C@H](C)c1nc(-c2ccccc2)no1 133488160 XSSLXXJXBBKXQF-JLCFBVMHSA-N 320.458 4.517 30 20 DJED CC(C)(C#N)CCCNC1(c2ccc(F)cc2F)CCCC1 181248915 CGTYHDDEAWRCFS-UHFFFAOYSA-N 306.400 4.654 30 20 DJED O=C(/C=C\c1cccc(Oc2ccccc2)c1)c1cccnc1 211705275 KUUKBRQPLYBHBT-QXMHVHEDSA-N 301.345 4.770 30 20 DJED C[C@H]1CC(C)(C)CC[C@H]1Nc1ccc(C#N)c(Br)c1 311660429 JTAZWPRNFZPRLC-XHDPSFHLSA-N 321.262 4.947 30 20 DJED Cc1noc(C)c1CC/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@H]2C1 328988278 CIMDZARGGMZBAR-HRCADAONSA-N 304.434 4.539 30 20 DJED C=CCC(C)(C)C(=O)N1CC[C@@H](C(F)(F)F)c2ccccc21 410955661 SOEHZNDOGWDQFU-CYBMUJFWSA-N 311.347 4.672 30 20 DJED N#Cc1ccc(SCCOC2CCCC2)cc1C(F)(F)F 431943064 RSPSCWQFAGIBIU-UHFFFAOYSA-N 315.360 4.628 30 20 DJED COc1ccc(C2CCN(CCCCC(C)(C)C#N)CC2)cc1 444636428 DDUVMPUMKJXWEC-UHFFFAOYSA-N 314.473 4.595 30 20 DJED CC[C@H](N[C@@H]1CCc2c(Cl)cccc21)c1ccc(C#N)cc1 447525659 AQAANQCBBZJRDM-RBUKOAKNSA-N 310.828 4.940 30 20 DJED COc1cc(NC2CCC(C)(C#N)CC2)ccc1C(F)(F)F 449294418 ZANIDFXCRJBRDY-UHFFFAOYSA-N 312.335 4.598 30 20 DJED CC[C@H](C)c1ccc([C@H](NC(=O)CCCC#N)C(C)C)cc1 462152305 SMXLOQHMDQXZBJ-HNAYVOBHSA-N 300.446 4.707 30 20 DJED C=CCCCCCN(C)C(=O)CCc1c[nH]c2cc(C)ccc12 465142561 ZBAMVZXPYBQNCZ-UHFFFAOYSA-N 312.457 4.614 30 20 DJED Cc1c(N[C@H](C)C(C)C)cccc1C(=O)Nc1cccc(C#N)c1 474325268 AULMAVFFSPTGGS-OAHLLOKOSA-N 321.424 4.575 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC12CCCCC2 477076308 PMZIRTWFHUYUGI-IBGZPJMESA-N 324.468 4.513 30 20 DJED N#CCn1c(/C=C\c2cc(F)cc(Cl)c2)nc2ccccc21 485982815 VJPQQHZEAFSGST-WAYWQWQTSA-N 311.747 4.523 30 20 DJED CN(C(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1C#N 508082188 QZJJJHHGXOPXTD-UHFFFAOYSA-N 318.420 4.883 30 20 DJED C[C@H](SCc1cc(C#N)ccc1F)c1cc(F)ccc1F 517939686 KAVTULRNJLQYKS-JTQLQIEISA-N 307.340 4.970 30 20 DJED C=CCCC(=O)NCc1ccc(Oc2ccc(F)cc2)c(C)c1 522594847 FNXSCBUYQXTFDA-UHFFFAOYSA-N 313.372 4.509 30 20 DJED C=CCN(Cc1ccccc1)Cc1ncc(-c2ccccc2C)o1 534528057 CXHYYLWMDQTJIE-UHFFFAOYSA-N 318.420 4.838 30 20 DJED C=C[C@H](CC(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 535451055 MPVFPTRRFQSEMZ-CQSZACIVSA-N 310.784 4.510 30 20 DJED C=C(CC)CSCC(=O)c1cc(C)n(CC(F)(F)F)c1C 537992859 DDUGDSYLMDODON-UHFFFAOYSA-N 319.392 4.549 30 20 DJED CC(C)(C#N)CCN1Cc2ccccc2C[C@H]1c1ccccc1 538469123 FARQVXIWKWKJTL-FQEVSTJZSA-N 304.437 4.726 30 20 DJED N#Cc1cccc(CNc2ccc3nc(C4CC4)sc3c2)c1F 543162554 NVSWSKBNMKFHAR-UHFFFAOYSA-N 323.396 4.797 30 20 DJED CC[C@@H](NCc1ccc(C#N)cc1OC)c1ccc(Cl)s1 543484811 FKJXPUKWKCTVLI-CYBMUJFWSA-N 320.845 4.523 30 20 DJED Cc1ccc(-c2ncc(CNCC(C)(C)CCC#N)s2)cc1 554719290 KXUBAFMPSYWXOL-UHFFFAOYSA-N 313.470 4.538 30 20 DJED N#Cc1cccnc1S[C@H](c1ccccc1)c1ccc(F)cc1 554892703 GRZAMTAIDKBWGM-GOSISDBHSA-N 320.392 4.974 30 20 DJED CC[C@H](c1ccccc1)c1nnc(SCC(C)(C)CC#N)o1 566497900 OFXPEVOAQYJSOW-CQSZACIVSA-N 315.442 4.643 30 20 DJED CCc1oc2ccccc2c1CN(C)Cc1ccc(C#N)cc1F 585767140 YYRLZYUVQZXESU-UHFFFAOYSA-N 322.383 4.638 30 20 DJED N#Cc1cccc(CNc2ccccc2SC2CCCC2)n1 602493639 YLQIGSSDSGSBJY-UHFFFAOYSA-N 309.438 4.600 30 20 DJED Cc1sc(NC(=O)[C@H](C)c2cccc(Cl)c2)c(C#N)c1C 610220565 INDDUCNGPGKAFZ-SNVBAGLBSA-N 318.829 4.632 30 20 DJED C[C@H](C#N)CSc1ccccc1NCCCOC(C)(C)C 610681143 DPHLUNGRIJHNMT-CQSZACIVSA-N 306.475 4.555 30 20 DJED Cc1ccc2c(c1)[C@H](NCc1ccc(C#N)c(Cl)c1)[C@@H](C)C2 619755917 YUHWHWZMZYXMBY-ORAYPTAESA-N 310.828 4.543 30 20 DJED C=CCCOC(=O)c1sc(-c2cccc(Cl)c2)nc1C 729073287 NJIPAPNSCAEQSJ-UHFFFAOYSA-N 307.802 4.505 30 20 DJED C=CC[C@H](C)NC(=O)Nc1cccc(OCc2ccc(C)cc2)c1 735173816 OYKURFKKTNOEAD-INIZCTEOSA-N 324.424 4.660 30 20 DJED N#CCCCOC(=O)CCCCc1ccc(Cl)c(Cl)c1 753432312 OXRJYXDDEFWQLS-UHFFFAOYSA-N 314.212 4.553 30 20 DJED O=C(/C=C/c1ccc(C(F)(F)F)s1)c1ccc(O)c(F)c1 761478148 QDIBEVKRRQUWDJ-GORDUTHDSA-N 316.275 4.508 30 20 DJED CC(=NNc1cccc(C#N)c1)c1cc(Cl)ccc1Cl 767337156 ZCORSXCCPRTVSS-UHFFFAOYSA-N 304.180 4.701 30 20 DJED CC(C)(C#N)CCCCOC(=O)c1[nH]c2ccccc2c1Cl 768584333 ZTKYVQWDDLBZTA-UHFFFAOYSA-N 318.804 4.698 30 20 DJED CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)OCCCCC(C)(C)C#N 786352123 PMTPFMAVHYVTPF-ZACQAIPSSA-N 323.477 4.624 30 20 DJED CC(C)=CCC[C@H](C)CC(=O)[C@H](C#N)c1nc2ccccc2o1 842693551 HUKCORCPLYCDAN-GJZGRUSLSA-N 310.397 4.777 30 20 DJED COCc1csc(/C=C2/C(=O)c3cccc4c3[C@H]2CCC4)c1 849247753 XIGCYEPMVYZEFF-ZUZCKIMGSA-N 310.418 4.594 30 20 DJED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1csc(C)n1 917553315 ZHYNNYMTNUOGHK-LBPRGKRZSA-N 301.459 4.650 30 20 DJED C[C@H](C#N)CN(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O 921031087 XRCIPJIEQZILTJ-CQSZACIVSA-N 316.489 4.579 30 20 DJED CCc1ccc(Nc2c(Br)cccc2C#N)cc1C 1162837546 CGLMPPKEBPOFFL-UHFFFAOYSA-N 315.214 4.935 30 20 DJED N#Cc1c(F)cccc1CN1CCCC2(CCCCC2)CC1 1180916616 HBMOBWZSUJHXCX-UHFFFAOYSA-N 300.421 4.634 30 20 DJED CCCCc1nc(COc2cc(Cl)cc(C#N)c2)cs1 1307351728 ATTSQUNBYFUVQG-UHFFFAOYSA-N 306.818 4.590 30 20 DJED Cc1ccc([C@@H]2[C@H](C)CCCN2c2ccc(C#N)c(C)n2)cc1 1458210866 GIGQRVABJZHSSB-QRWLVFNGSA-N 305.425 4.548 30 20 DJED CC(C)c1ccc([C@@H]2CCCCN2Cc2cc(C#N)ccn2)cc1 1459890847 LZTHVMPTJKQTRC-NRFANRHFSA-N 319.452 4.804 30 20 DJED CC(C)CC(CC(C)C)NC(=O)Nc1ccc(C#N)c(Cl)c1 1475884478 MQYVVWHEDKOBIR-UHFFFAOYSA-N 321.852 4.794 30 20 DJED CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 1528625443 GQSQSJJBLLNUCW-CABCVRRESA-N 322.408 4.971 30 20 DJED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)CC1(C#N)CCCCC1 1528912394 OGSUIEFECLDSCL-KZNAEPCWSA-N 318.505 4.675 30 20 DJED Cc1oc(C(C)(C)C)cc1C(=O)N[C@H](CCC#N)c1ccccc1 1534333363 VFNWLINNBFFXKU-QGZVFWFLSA-N 324.424 4.660 30 20 DJED CC(C)c1ccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1Cl 1535479026 KMLIARCBTJWJNQ-TZMCWYRMSA-N 305.805 4.703 30 20 DJED CC(C)N(CCc1ccc(C#N)cc1)Cc1cccc(Cl)c1 1559485660 OBLKWCVXOYNUQQ-UHFFFAOYSA-N 312.844 4.665 30 20 DJED C=C(Cl)CN1CCc2ccccc2[C@H](c2ccccc2)[C@H]1C 1559661044 KTEWANXERFWSRM-UZLBHIALSA-N 311.856 4.818 30 20 DJED CC1(C)CCCN(Cc2ccc(-c3ccsc3)cc2)[C@@H]1C#N 1617734981 IXRSFFFLSPOXKA-GOSISDBHSA-N 310.466 4.929 30 20 DJED C[C@@H](CNc1ncc(C#N)cc1F)c1c(Cl)cccc1Cl 1639393027 CUOBTXPQWODHHE-VIFPVBQESA-N 324.186 4.615 30 20 DJED CC[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Nc1ccccc1 1639792953 WNWKYOQMOVPVDS-LBPRGKRZSA-N 313.788 4.572 30 20 DJED COc1cc(C#N)ccc1CS[C@H](C)c1ccc(F)cc1 1640886234 KHZBOTDBNOBOSR-GFCCVEGCSA-N 301.386 4.700 30 20 DJED CC(C)[C@H](CN(Cc1ccc(C#N)cc1)C1CC1)c1ccccc1 1652012184 RJUSFDSUACRAQO-QFIPXVFZSA-N 318.464 4.962 30 20 DJED Cc1cc(CNc2ccc(-c3ccco3)cc2F)ccc1C#N 1662304541 RCHQGJGJUQDYJS-UHFFFAOYSA-N 306.340 4.878 30 20 DJED Cc1ccc(NC(=O)c2ccccc2SCC#N)cc1Cl 29486687 SRPHJJOUCXIPML-UHFFFAOYSA-N 316.813 4.516 30 20 DJED Cc1ccc(C)c(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 66801811 SUILBPWYNQQHHR-OAHLLOKOSA-N 324.449 4.950 30 20 DJED O=C1/C(=C/c2cccnc2)CCc2cc(SC(F)F)ccc21 131185044 PDRZSCMOLWACFS-MDWZMJQESA-N 317.360 4.609 30 20 DJED Cc1ccc(NCCCC(C)(C)C#N)cc1NC(=O)C(C)(C)C 153973771 LXRGZGHHTVGIGS-UHFFFAOYSA-N 315.461 4.722 30 20 DJED C=CCCCCCN(C)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 156729062 KHGQYVQTXBCGED-KGLIPLIRSA-N 305.384 4.560 30 20 DJED C[C@@H](SCCOc1cccc(C#N)c1)c1cccc(F)c1 195541147 COZZYCCJAQGKGD-CYBMUJFWSA-N 301.386 4.571 30 20 DJED C=C(C)CN(CC)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 216166326 JSZMOPXHVVBTOG-KRWDZBQOSA-N 322.452 4.579 30 20 DJED CC(C)CCOc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1 236584854 MRKFCTYKLNFPAZ-KRWDZBQOSA-N 322.452 4.834 30 20 DJED C[C@@H](CCC(C)(C)C)NCc1cccc(OCCCC#N)c1 237496278 JOKACSXEUXHOKL-INIZCTEOSA-N 302.462 4.674 30 20 DJED C=CCn1c(S[C@H](C)c2ccccc2)nnc1-c1ccco1 253495106 ZVFHJGQJIZKMFT-CYBMUJFWSA-N 311.410 4.577 30 20 DJED COc1ccc([C@@H]2CCCN2c2c(Cl)cccc2C#N)cc1 301370187 SFVRWATYUVDVTJ-KRWDZBQOSA-N 312.800 4.562 30 20 DJED C=CCC(CC=C)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1 343974444 PUSBZBLOFJMHOY-HNNXBMFYSA-N 311.347 4.565 30 20 DJED N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCSc3ccc(F)cc31)CC2 353263246 WCISLAQXIDQHDU-QZTJIDSGSA-N 324.424 4.511 30 20 DJED N#CC1(CSCc2csc(-c3ccsc3)n2)CCC1 419411735 IGEOODRQJKMSDN-UHFFFAOYSA-N 306.481 4.799 30 20 DJED C=CCC[C@@H](NC(=O)C1=CCCC1)c1ccc(C(F)(F)F)cc1 441568212 QRGKLOKDQMMCKX-MRXNPFEDSA-N 323.358 4.939 30 20 DJED Cc1cc(CNc2cccc(Oc3ccccn3)c2)ccc1C#N 446828074 RNSKCAXTAAKADK-UHFFFAOYSA-N 315.376 4.666 30 20 DJED Cc1cc([C@@H](NC2CCC(C)(C#N)CC2)C2CC2)ccc1F 449215833 ORZDXPJMRONNRS-AVAKVYKDSA-N 300.421 4.647 30 20 DJED Cc1ccc(SC[C@H](C)NC2CCC(C)(C#N)CC2)cc1 449253084 XGQGZHMOPOCFPR-HJOIGYKYSA-N 302.487 4.538 30 20 DJED CCC[C@@H](Nc1ccc(C#N)cn1)c1ccc(Cl)c(Cl)c1 462866881 CJJNJGBVEYYINM-OAHLLOKOSA-N 320.223 5.213 30 20 DJED C=CC[C@H](CC)NC(=O)N1CCC[C@H]1c1cccc(C)c1C 466376650 LOQILUIIAYTOFC-WMZOPIPTSA-N 300.446 4.505 30 20 DJED C=CCC[C@@H](NCc1nn(CC)c2ccccc12)c1ccccc1 472036884 FGACCAJFNWMTKC-LJQANCHMSA-N 319.452 4.853 30 20 DJED N#CC[C@@H](CC(=O)N1CCC2(CCCCC2)CC1)c1ccccc1 475537247 MOAQZJBRVIFCDO-IBGZPJMESA-N 324.468 4.647 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccccc1Cl 481935694 ZZDDJTYKBUZDSF-IBGZPJMESA-N 310.828 4.769 30 20 DJED N#Cc1ccc(C(=O)N(c2ccsc2)C2CCCCC2)s1 487259566 HAQASFLZLFNCCB-UHFFFAOYSA-N 316.451 4.661 30 20 DJED N#CCCCOc1cccc(CNc2ccc(F)c(Cl)c2)c1 537331944 YDMJCLUMKYQDTJ-UHFFFAOYSA-N 318.779 4.774 30 20 DJED CC(=O)c1ccc(C#N)c(NCc2csc3ccccc23)c1 544410515 QCZGDHTVTTVPEL-UHFFFAOYSA-N 306.390 4.588 30 20 DJED C=C[C@H](CC(=O)N1CC[C@H](c2cccc(F)c2)C1)c1ccccc1 550584560 YZGPDJFJJFLWIB-APWZRJJASA-N 323.411 4.502 30 20 DJED C=CCC(C)(C)c1noc(C[C@H](c2ccccc2)C(F)(F)F)n1 560023627 FYJJMZWETSUPGX-CYBMUJFWSA-N 324.346 4.812 30 20 DJED CCO[C@@H](C)c1nc(CSc2ccc(C#N)c(C)c2)cs1 583812119 RGPSBWROZCNBLY-LBPRGKRZSA-N 318.467 4.713 30 20 DJED CCCc1ccc([C@H](NC(=O)CCCCCC#N)C(C)C)cc1 588460113 QLAWIXOOKXHGQQ-HXUWFJFHSA-N 314.473 4.926 30 20 DJED C[C@H](Oc1ccc([C@@H](C)NCC2(C#N)CC2)cc1)c1ccccc1 595680919 ITYNNEAMFCHBBG-SJORKVTESA-N 320.436 4.781 30 20 DJED C[C@H]1CCC[C@@H](C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 610167948 FJALHNQJUNCHIZ-QWHCGFSZSA-N 316.470 4.653 30 20 DJED CC1(C)C[C@H](N[C@H]2CCc3cc(C#N)ccc32)c2ccccc21 618804689 CFABDDFEFXHGPO-PMACEKPBSA-N 302.421 4.558 30 20 DJED COc1cc(C#N)ccc1Oc1ccc(Nc2nccs2)cc1 725789155 FEXBBMKHGKVMES-UHFFFAOYSA-N 323.377 4.559 30 20 DJED O=C1/C(=C/c2nc(-c3ccccc3)cs2)Cc2cc(F)ccc21 734304930 BKADUSKHSNPDPE-GXDHUFHOSA-N 321.376 4.772 30 20 DJED C=CC[C@@H](NC(=O)C[C@@H](CC)c1ccc(C)cc1)c1ccncc1 737855610 ZSVJEEMZSQYEKE-YLJYHZDGSA-N 322.452 4.707 30 20 DJED N#CCCCSc1nc2cc(C(F)(F)F)ccc2s1 753853704 GYSMAKMYKAQUQC-UHFFFAOYSA-N 302.346 4.711 30 20 DJED C#CCCCN[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 754950711 MBFZDVXYUYXTIN-GFCCVEGCSA-N 318.873 4.836 30 20 DJED CC(CCc1cccc(C(F)(F)F)c1)=NO[C@H]1CCCCO1 755823609 QXMCDJYCAYRLLL-HNNXBMFYSA-N 315.335 4.557 30 20 DJED C[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)c2c(O)ccc(F)c21 756767966 HLCKTSLFAVTNRK-XYPHTWIQSA-N 324.399 4.714 30 20 DJED CC(C)c1ncc(/C=C\C(=O)c2ccc(F)c(Cl)c2)s1 758429363 HYOQLIQHZNPYAI-XQRVVYSFSA-N 309.793 4.955 30 20 DJED CC(C)n1cc(/C=C/C(=O)c2ccc(OC(C)(C)C)cc2)cn1 764921270 PWHROAUXIWDDAR-IZZDOVSWSA-N 312.413 4.537 30 20 DJED CC(C)(C#N)OC(=O)c1sc2cccc(Cl)c2c1Cl 779225796 FWHKOZJWXDJIIG-UHFFFAOYSA-N 314.193 4.667 30 20 DJED CCOc1ccc(/C=C\C(=O)c2csc(Cl)c2)cc1OC 787186666 RBBGZIATVJYROV-XQRVVYSFSA-N 322.813 4.705 30 20 DJED CC[C@](C)(C#N)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 807922012 GZBXSBHKLRBCKA-GOSISDBHSA-N 306.369 4.980 30 20 DJED O=C(/C=C\c1cscc1C(F)(F)F)c1ccc(F)cc1F 811686494 CTLXKNAUAMFZBY-RJRFIUFISA-N 318.266 4.941 30 20 DJED C=C(C)C(C)(C)C(=O)Nc1cccc(C2SCCS2)c1 819021719 UXZTXAFLJAFSCT-UHFFFAOYSA-N 307.484 4.706 30 20 DJED C=CC(C)(C)Cc1nc(-c2cccnc2Oc2ccccc2)no1 904455631 HQUBPXCRLSRXFB-UHFFFAOYSA-N 321.380 4.679 30 20 DJED CCCCCCCC(=O)Nc1cc(OC)ccc1OC(F)F 915701778 DKCAKSLXLMUZRR-UHFFFAOYSA-N 315.360 4.596 30 20 DJED c1ccc2c(c1)SCCC2=NNc1nc2ccccc2s1 916248642 KVNBFIWIOMAERM-UHFFFAOYSA-N 311.435 4.608 30 20 DJED CCCCCCCC(=O)Nc1cc(C#N)ccc1OC(C)C 919864745 WMPFLTBWIXBBAT-UHFFFAOYSA-N 302.418 4.644 30 20 DJED COc1ccc(O)c(/C=N/[C@@H](C)c2ccccc2C(F)(F)F)c1 920178827 XLVFAKQXZOHUSG-JYQBEENSSA-N 323.314 4.600 30 20 DJED N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCCCC1(C#N)CCC1 929757564 SYAPEOYRWCCVKA-VQTJNVASSA-N 321.468 4.622 30 20 DJED C[C@H](CCCc1ccccc1)C(=O)O[C@H](C)c1cccc(C#N)c1 1127022084 YGZFHVRYIXMSDX-IAGOWNOFSA-N 321.420 4.821 30 20 DJED CC[C@H](Cc1ccccc1)N(CC)Cc1cccc(C#N)c1F 1168073646 MYQGRQIEJXVCSB-LJQANCHMSA-N 310.416 4.541 30 20 DJED Cc1cc(C)c(C(=O)Nc2cc(C(C)(C)C)sc2C#N)s1 1266829070 PWLIKFBXRGGBFI-UHFFFAOYSA-N 318.467 4.848 30 20 DJED CC[C@@H](C)c1ccc(C(=O)Nc2cc(C#N)c(F)cc2F)cc1 1438610616 LUFVARZXCUGGSD-LLVKDONJSA-N 314.335 4.602 30 20 DJED Cc1cc(OCCc2cccc(Cl)c2Cl)ccc1C#N 1473025361 YAOZHVDWWLKOHO-UHFFFAOYSA-N 306.192 4.795 30 20 DJED C=C(CNC(=O)c1ccc(SC(C)C)cc1)c1ccccc1 1527981966 YAZNSCJDJRCTQQ-UHFFFAOYSA-N 311.450 4.630 30 20 DJED CCC(C)(C)c1ccc(C(=O)Nc2ccc(F)cc2C#N)cc1 1532256184 LSJUEHWIDCPLDU-UHFFFAOYSA-N 310.372 4.637 30 20 DJED CC(C)[C@H](c1ccccc1)N(C)C(=O)CC1(C#N)CCCCC1 1537812086 JUDZWJQFVZREIR-LJQANCHMSA-N 312.457 4.706 30 20 DJED Cc1cc(N[C@@H](C)CC(C)(C)C)n2c(nc3ccccc32)c1C#N 1559207343 LCAZJCWHYDHMOK-AWEZNQCLSA-N 320.440 4.904 30 20 DJED CCC1(CC)CCCN(Cc2cc(Cl)ccc2OCC#N)C1 1559998255 WZQQJUIYNDHJJH-UHFFFAOYSA-N 320.864 4.645 30 20 DJED C[C@@H](Nc1ncc(C#N)cc1F)c1ccc(Cl)c(Cl)c1 1612349114 QZLCZQFIFJNPFZ-MRVPVSSYSA-N 310.159 4.572 30 20 DJED N#Cc1c(F)cccc1N(CCc1ccccc1)C1CCCC1 1639985181 GZJIFRMGPNALCV-UHFFFAOYSA-N 308.400 4.689 30 20 DJED C/C(=C\Cl)CSc1c(Br)cccc1C#N 1642645680 OXNOMMLPKNRSTM-VMPITWQZSA-N 302.624 4.555 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1NCC12CCC(CC1)C2 1650930160 NRQHZHUPPPVJDV-UHFFFAOYSA-N 311.816 4.752 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CC[C@@H](Cc2ccccc2)C1 1652372437 ULRSWVPKIPFLDR-XJABCFGWSA-N 316.448 4.547 30 20 DJED CC(C)(C)C1CCC(=NNc2ccc(F)c(C(=O)O)c2)CC1 1776061727 LMVYOEHUHFABFX-UHFFFAOYSA-N 306.381 4.528 30 20 DJED CC(C)(C)[C@H]1CCCC(=NNc2ccc(C(=O)O)c(F)c2)CC1 1776074583 IUIYAVAXDXJJCM-LBPRGKRZSA-N 320.408 4.918 30 20 DJED CC(C)Cc1ccc(C(=O)/C=C/c2ccc(C(=O)O)s2)cc1 1776339632 HFPCJHUOZYPNCX-VQHVLOKHSA-N 314.406 4.541 30 20 DJED CC(C)c1ccc2c(c1)C(=O)/C(=C\c1cccc(C(=O)O)c1)CC2 1776374705 HTHLASCWJGJQFO-YVLHZVERSA-N 320.388 4.721 30 20 DJED C[C@H](NCc1cnc(C2CCCC2)s1)c1ccc(C#N)cc1 135848139 HJFFOQISUGYGRY-ZDUSSCGKSA-N 311.454 4.523 30 20 DJED CCCCCCCC[S@@](=O)Cc1cc(-c2ccco2)on1 190798567 MOSFCRYANKSGJF-OAQYLSRUSA-N 309.431 4.544 30 20 DJED Cc1ccc(Oc2ccc(C#N)c(Br)c2)cc1C 228200276 HEGVBBKLMSCCEP-UHFFFAOYSA-N 302.171 4.730 30 20 DJED Cc1cc(C#N)cc(NCc2cc(Br)c(C)s2)c1 308112233 YSPVKZAMFOIITK-UHFFFAOYSA-N 321.243 4.611 30 20 DJED C[C@@H]1CC[C@H](/N=C(/O)C2CCC(/N=C(/O)C3CC3)CC2)[C@H](C)C1 330015265 NSGNZIBORKWASK-WYEXVOONSA-N 320.477 4.693 30 20 DJED N#CCC[C@H](N[C@@H]1CCC[C@H](c2cccnc2)C1)c1ccccc1 337364430 ASEWCHLOVJVVHW-TYPHKJRUSA-N 319.452 4.742 30 20 DJED C=CCC[C@@H](NC(=O)N(C)Cc1cccs1)c1ccccc1 435096686 OFELOOROZQTZAY-QGZVFWFLSA-N 314.454 4.597 30 20 DJED CC[C@@H](NCCc1c[nH]c2c(C)cccc12)c1ccc(C#N)cc1 447526721 CFKYVGGSXIOKQR-HXUWFJFHSA-N 317.436 4.631 30 20 DJED CC(C)c1ccc([C@H](C)NC(=O)[C@H](C)c2cccc(C#N)c2)cc1 461737116 NEIKXRITZSYDBR-CVEARBPZSA-N 320.436 4.663 30 20 DJED CCc1cc(C)cc(CC)c1NC(=O)[C@@H](C)c1cccc(C#N)c1 464488936 DADRMPZMMVOKJW-HNNXBMFYSA-N 320.436 4.734 30 20 DJED Cc1ccc2c(c1)CN(c1c(C#N)cnc3ccc(Cl)cc13)C2 481091573 JZJJAAODSXIZEY-UHFFFAOYSA-N 319.795 4.589 30 20 DJED C=CCSc1ccccc1C(=O)N1CC=C(c2ccccc2)C1 485506908 RMSNKVPIUNEYSC-UHFFFAOYSA-N 321.445 4.504 30 20 DJED C=CCOc1cccc(CN[C@@H](c2ccc(C)cc2)C2CC2)c1 517540719 JAUQXQSRLGIXGF-NRFANRHFSA-N 307.437 4.801 30 20 DJED CCN(C(=O)[C@H]1CCCC(C)(C)C1)[C@@H](C)c1ccc(C#N)cc1 534388199 PGDTVWXYAPCOFQ-YJBOKZPZSA-N 312.457 4.684 30 20 DJED CSc1cc(C)ccc1CN[C@@H](C)c1ccc(C#N)c(F)c1 540708465 WQMZIVXRZCLCEK-ZDUSSCGKSA-N 314.429 4.579 30 20 DJED C=CCCO[C@@H](C)c1nc(-c2cc(Cl)cc(Cl)c2)no1 546994941 ZTEDWXMLJXDTCT-VIFPVBQESA-N 313.184 4.697 30 20 DJED CO[C@H](CSc1ccc(C#N)cc1Cl)c1ccccc1 548966208 VAKWTTQBADGWDU-OAHLLOKOSA-N 303.814 4.691 30 20 DJED CC(C)c1ccc2occ(C(=O)Nc3ccc(CC#N)cc3)c2c1 552706740 QBYDAUWEJILHSW-UHFFFAOYSA-N 318.376 4.875 30 20 DJED N#CC1(CSCc2cc(F)c(C(F)(F)F)cc2F)CC1 564107717 DKGAEPHDPSDHQZ-UHFFFAOYSA-N 307.287 4.521 30 20 DJED C=CCOc1cccc(CNCc2ccc3sccc3c2)c1 566038164 HKSGRWIGOIBXRF-UHFFFAOYSA-N 309.434 4.756 30 20 DJED N#Cc1ccc2c(c1)[C@H](N[C@@H]1CC[C@@H](c3cccc(F)c3)C1)CC2 571129235 IVOSFTJQTNUDMO-YFVAEKQCSA-N 320.411 4.611 30 20 DJED C=CCCCCCN(C)C(=O)Nc1cc(Cl)ccc1N(C)C 606945972 AWASMZHDLUIWAA-UHFFFAOYSA-N 323.868 4.616 30 20 DJED C[C@@H](Nc1ncc(-c2ccccc2)s1)c1cccc(C#N)c1 610541729 AWFJWYXBZJXNJR-CYBMUJFWSA-N 305.406 4.855 30 20 DJED CC(=NNc1ccccc1Br)c1ccc(F)cc1C 731314886 XIRILKBJMCKFGM-UHFFFAOYSA-N 321.193 4.733 30 20 DJED Cc1cccc(NN=C(CC2CCCCC2)c2ncccn2)c1 733902610 WWCYRAUHCBOKRQ-UHFFFAOYSA-N 308.429 4.572 30 20 DJED N#Cc1ccc(-c2cccc(C/N=C\c3ccccc3O)c2)s1 739427741 XQVRLRSAOPJHBH-BKUYFWCQSA-N 318.401 4.611 30 20 DJED CC(=NNc1nc2cc(C(F)(F)F)ccc2s1)C1CCC1 747632359 MCCZCZUXULZIAC-UHFFFAOYSA-N 313.348 4.903 30 20 DJED Cc1ccc(-c2ccc(C(=O)O[C@H](C#N)C(C)C)c(F)c2)cc1 751161684 TVYZPBQTWNLQMJ-GOSISDBHSA-N 311.356 4.506 30 20 DJED CCCCCCCCNC(=O)N(C)[C@@H](CC)c1ccncc1 754866982 YRYXBOLWEZRHQS-KRWDZBQOSA-N 305.466 4.535 30 20 DJED C#CC[C@@H](NC(=O)N(CC1CC1)C1CCCCC1)c1ccccc1 757773955 SOLQAAPOJJGMPB-HXUWFJFHSA-N 324.468 4.505 30 20 DJED C#CCOc1ccc([C@H](C)N[C@H](c2ccccc2)C2CC2)cc1 764742232 DGCJCZMNKLYAHY-HRAATJIYSA-N 305.421 4.501 30 20 DJED Cc1ccoc1C(=O)/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 769784541 YRCQHTJEQFBZCD-VURMDHGXSA-N 323.304 4.652 30 20 DJED C[C@H](Nc1cc(F)ccc1OC(F)F)c1ccc(C#N)c(F)c1 777233962 SJRUWXRTNGIZPY-VIFPVBQESA-N 324.277 4.611 30 20 DJED O=C(/C=C\c1ccc(C(F)(F)F)cc1)c1ccnc(Cl)c1 779461261 XZBUURAZHNXIFR-UTCJRWHESA-N 311.690 4.650 30 20 DJED C#CCCCCCC(=O)N1CCCSc2ccc(Cl)cc21 779971423 GFMSMZHVOKXOHV-UHFFFAOYSA-N 321.873 4.753 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1ccccc1SC(F)F 785642039 MQRUBROVDNLSJS-NSHDSACASA-N 312.385 4.574 30 20 DJED CCCCCCCC(=O)Nc1c[nH]nc1-c1ccccc1F 791176867 TYZCCCOAEYIRTO-UHFFFAOYSA-N 303.381 4.515 30 20 DJED COc1ccc(C)cc1C(=O)/C=C/c1ccnc(Cl)c1Cl 791433598 DXPAMWRIEDGMKZ-SNAWJCMRSA-N 322.191 4.602 30 20 DJED CCC[C@@](C)(CC)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 796694567 WMQKQWWYGWCRBA-SJKOYZFVSA-N 318.417 4.828 30 20 DJED CC#CC(=O)Nc1ccc(COc2cc(C)ccc2C(C)C)cc1 801158848 OMUSLZVRVOVOSX-UHFFFAOYSA-N 321.420 4.659 30 20 DJED CC(=C/c1ccccc1)/C=C/C(=O)c1cc2c(C)nn(C)c2s1 806579011 RPOJWAQULXWFHY-LTCRFSFDSA-N 322.433 4.786 30 20 DJED CCc1nc2ccccc2n1N=Cc1cscc1C(F)(F)F 811637423 XCFNQLPMMCYFNH-UHFFFAOYSA-N 323.343 4.561 30 20 DJED C=CCC(C)(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 814115762 LMFNMYZMKFDJDT-UHFFFAOYSA-N 324.449 4.505 30 20 DJED Clc1cnc(C=NN=C2c3ccccc3-c3ccccc32)s1 814779884 USHMIZXJWDQRQS-UHFFFAOYSA-N 323.808 4.648 30 20 DJED CCc1cccc(CC)c1NC(=S)Nc1cc(C)cc(C#N)c1 840828838 QUASKLXXNFYAMR-UHFFFAOYSA-N 323.465 4.800 30 20 DJED C=CCCC(C)(C)NC(=O)c1ccc(C2SCCS2)cc1 856375051 NLJBQULYNBTAKB-UHFFFAOYSA-N 321.511 4.640 30 20 DJED Cc1cc(F)c(C(F)(F)F)cc1NCc1ccccc1C#N 864029891 URSOAJOQLUIGSK-UHFFFAOYSA-N 308.278 4.637 30 20 DJED O=C(/C=C\c1ccccc1OC1CCCC1)c1ccc(O)cc1 920063056 WKJCLLALRXAHJL-KAMYIIQDSA-N 308.377 4.610 30 20 DJED Cc1ccc(N(CCC#N)C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)cc1 1136505983 YULGHNPWLPNYJR-YSIASYRMSA-N 324.468 4.848 30 20 DJED CC(C)(C)CN(CCC#N)c1ncc(C(F)(F)F)cc1Cl 1162972945 RJHKRSDCVZEDJA-UHFFFAOYSA-N 319.758 4.520 30 20 DJED CO[C@@H](COc1cc(Cl)cc(C#N)c1)c1ccc(Cl)cc1 1189456787 BHVDQFKDEBWFMC-INIZCTEOSA-N 322.191 4.632 30 20 DJED C/C(=C/c1cccc(Cl)c1)c1nnc(-c2cccc(C#N)c2)o1 1322412181 WNZIFKPVNFRSHI-WQLSENKSSA-N 321.767 4.822 30 20 DJED N#Cc1ccc(N(C(=O)c2coc3ccccc23)C2CCC2)cc1 1437966892 PTYZLLNHUJYUGC-UHFFFAOYSA-N 316.360 4.504 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1ccc(Cl)cc1C#N 1473047432 VKKZRILIQVEADQ-UHFFFAOYSA-N 317.175 4.624 30 20 DJED CCN(Cc1ccccc1SC)[C@@H](C)c1ccc(C#N)cc1 1473118154 XLNTXHLUTFKMMF-HNNXBMFYSA-N 310.466 4.863 30 20 DJED C=C(Cl)CN[C@H](COc1c(C)cccc1C)c1ccccc1 1473310656 QURJJKFVEJRXIV-GOSISDBHSA-N 315.844 4.766 30 20 DJED N#CC1(CCN2C[C@@H]3CCCCN3c3ccccc32)CCCCC1 1473516458 UMVMFNCGFJYKLG-SFHVURJKSA-N 323.484 4.730 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1CCCc1cccc(F)c1 1559554896 NJUVWOOXUYSVFF-NHCUHLMSSA-N 322.427 4.530 30 20 DJED N#Cc1cccc(CN(C2CC2)[C@H]2CCCc3ccccc32)c1F 1559604419 GBMDMUTZGBNIQS-FQEVSTJZSA-N 320.411 4.739 30 20 DJED C[C@@H]1CN([C@@H](C#N)c2ccccc2)CCc2ccc(Cl)cc21 1619638727 GBGUNVMTBFQJEB-KUHUBIRLSA-N 310.828 4.566 30 20 DJED Cc1oc2ccccc2c1CNc1ncc(Cl)c(C)c1C#N 1639744874 DINPLMHOFRDHCF-UHFFFAOYSA-N 311.772 4.582 30 20 DJED CC(C)CCN(CCC#N)Cc1c(Cl)oc2ccccc12 1641933296 GDPHBSMJTCFYJA-UHFFFAOYSA-N 304.821 4.848 30 20 DJED CC[C@@H](C)Oc1ccc(Nc2snc(Cl)c2C#N)cc1 1650676940 OOJNYWCWQGXUDB-SECBINFHSA-N 307.806 4.589 30 20 DJED Cc1nc(S[C@H](C)c2ccc(F)cc2)c(Cl)cc1C#N 1650697208 LTGZAQKKOMQPBS-SNVBAGLBSA-N 306.793 4.908 30 20 DJED Cc1nsc(NC[C@@H]2CCCC[C@@H]2c2ccccc2)c1C#N 1651067238 MYPJBIRPXHRAPY-JKSUJKDBSA-N 311.454 4.709 30 20 DJED N#CCc1cccc(NCc2cc(Cl)cc3cccnc23)c1 1651091889 WXQYNPAFKZCOSU-UHFFFAOYSA-N 307.784 4.566 30 20 DJED N#Cc1cnc(N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c(Cl)c1 1651787536 CFACKNDHVJIARU-MQMHXKEQSA-N 318.207 4.618 30 20 DJED Cc1nc(Oc2ccc(SC(F)(F)F)cc2)ccc1C#N 1651830019 IZJVHZFFEAKIDD-UHFFFAOYSA-N 310.300 4.666 30 20 DJED CC[C@@H](CSc1ccccc1)NCc1ccc(C#N)c(C)c1 1657621256 MXNRYKSSIYGXBA-SFHVURJKSA-N 310.466 4.527 30 20 DJED Cc1c(NN=C2CCC[C@@H](c3ccccc3)C2)cccc1C(=O)O 1776087901 DNZQJRACPITEFM-MRXNPFEDSA-N 322.408 4.819 30 20 DJED CC(C)c1ccc(CSCC(=O)Nc2ccc(C#N)cc2)cc1 7150896 NFPCWCANJRYEKP-UHFFFAOYSA-N 324.449 4.554 30 20 DJED N#Cc1c(CSc2ccc3c(c2)CCC3)cn2ccccc12 14853308 CLKVPNSARBYDNX-UHFFFAOYSA-N 304.418 4.592 30 20 DJED Cc1nc(C)c(C#N)c(SCc2c(Cl)cccc2Cl)n1 32331656 JWOOQMNZKDHUGQ-UHFFFAOYSA-N 324.236 4.564 30 20 DJED C=CCCC(=O)N1C[C@@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1 136057103 MEUDALQNLVPMFQ-WFASDCNBSA-N 311.347 4.581 30 20 DJED CCCc1ccc(NC(=O)c2cccc(SCC#N)c2)cc1 175533032 IKZHOSRHVLFNQT-UHFFFAOYSA-N 310.422 4.507 30 20 DJED Cc1cccc2c1[C@H](C)/C(=C\c1ccc(O[C@H](C)C#N)cc1)C2=O 179451934 XAYXOCLMHPDQPP-ACIMENLPSA-N 317.388 4.669 30 20 DJED C=CCN(C(=O)c1coc(C)c1)c1nc(-c2ccccc2)cs1 187868988 ICDAVFHSOBSAKM-UHFFFAOYSA-N 324.405 4.544 30 20 DJED C=C(C)CN(CC)C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 195647317 NXXOQEGPHUKPOO-CYBMUJFWSA-N 313.363 4.624 30 20 DJED CCCc1ccc(C(=O)/C=C\c2ccc(O[C@@H](C)C#N)cc2)cc1 208264360 QBXGYJMTCZZVQW-MBSJSRAVSA-N 319.404 4.826 30 20 DJED C=CCN(Cc1cccs1)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 248193665 NIAXBTMHFRWPIW-CVEARBPZSA-N 303.471 4.501 30 20 DJED CC(C)(C#N)CCCC[S@@](=O)[C@@H]1CCc2c(Cl)cccc21 277942297 QOBVJGACDBZPSJ-IIBYNOLFSA-N 323.889 4.796 30 20 DJED Cc1ccc([C@@H]2OCCC[C@@H]2C(O)=Nc2cnc(C)s2)cc1 328786289 KTAYBJHMIIIMPA-HOCLYGCPSA-N 316.426 4.516 30 20 DJED C[C@H](/N=C(/O)C1CCCC1)C(O)=Nc1ccc(F)c(C2CC2)c1 328825190 SHTVULUXMYVCBU-NSHDSACASA-N 318.392 4.826 30 20 DJED Cc1ccc([C@H]2OCCC[C@@H]2C(O)=Nc2scnc2C)cc1 329933175 JDAOFVOYBXQDOG-LSDHHAIUSA-N 316.426 4.516 30 20 DJED Cc1nccc(C/N=C(/O)C2(C3CCCCC3)CCCCC2)n1 329934160 BVFXJLDZKJDGLN-UHFFFAOYSA-N 315.461 4.772 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1c(F)cccc1Cl 341703186 CPXLPZCHXWOXQB-SFHVURJKSA-N 314.791 4.518 30 20 DJED C[C@@H]1CCC[C@@H]1CC(=O)N(Cc1ccco1)c1ccccc1C#N 346935405 IJGJNABVWCVZPO-HZPDHXFCSA-N 322.408 4.511 30 20 DJED CC[C@@H](NCC(C)(C)CCC#N)c1cc(Cl)ccc1OC 348215347 MJPZZAZJNKDGSP-OAHLLOKOSA-N 308.853 4.719 30 20 DJED C=CCC1(C(=O)Nc2cccc(-c3csc(C)n3)c2)CCC1 357771435 UYJXFGDRDVPVEY-UHFFFAOYSA-N 312.438 4.803 30 20 DJED N#C[C@H](CCc1ccccc1)C(=O)Nc1cccc(C2CCC2)c1 428493820 JMBYOMHWWSZOIQ-IBGZPJMESA-N 318.420 4.665 30 20 DJED Cc1ccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c(C)c1 430628406 ORKYSTNOIKASMW-AWEZNQCLSA-N 312.438 4.548 30 20 DJED N#CCC1(CN[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 430755394 QGFDPXTZEDBAAP-GOSISDBHSA-N 310.828 4.713 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1cccc(COC(C)(C)C)c1C 439445205 YIEVEHJVNOGFSQ-MRXNPFEDSA-N 318.461 4.786 30 20 DJED N#CCCCCN[C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 442774416 AIYBTEZRCDMCSB-HOCLYGCPSA-N 310.363 4.625 30 20 DJED C[C@@H]1C[C@@H](c2cccc(F)c2)N(CCCCC(C)(C)C#N)C1 444642637 RQUDVCYJIGVNAX-QAPCUYQASA-N 302.437 4.929 30 20 DJED C=CCCCCNC(=O)N1CCC[C@@H]1c1ccccc1Cl 472849281 NHZQCUSFTRATQA-MRXNPFEDSA-N 306.837 4.543 30 20 DJED Cn1c(SCCCC(C)(C)C#N)nc2cc(Cl)ccc21 475963297 CUHDYRPASFFONN-UHFFFAOYSA-N 307.850 4.649 30 20 DJED C=C(C)[C@H](NCc1ccc(C#N)c(C)c1)c1ccc(F)c(F)c1 488040612 GJDZAOGWMRDLFL-IBGZPJMESA-N 312.363 4.552 30 20 DJED N#Cc1ccc(CN2CCC[C@@H]2c2ccc(Cl)cc2)s1 507166635 FHVPAIBABYLYEE-MRXNPFEDSA-N 302.830 4.610 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1sccc1Cl 512565548 QWEJRWNNCLUPNP-UHFFFAOYSA-N 323.893 4.757 30 20 DJED C=CCCC(=O)N(c1ccccc1)c1nc2ccccc2s1 522482550 SYCPJACYSFAYJN-UHFFFAOYSA-N 308.406 4.927 30 20 DJED C=CCCCCCN(C)C(=O)N[C@H]1CCC[C@H]1c1ccccc1 524800861 KIKWDVBIHZYNFI-OALUTQOASA-N 314.473 4.711 30 20 DJED Cc1ccc(F)c(NCCCC(C)(C)C#N)c1Br 530372973 JRMKVYXPUQMFJJ-UHFFFAOYSA-N 313.214 4.639 30 20 DJED C=C[C@@H](CC(=O)NCC1(c2ccccc2C)CC1)c1ccccc1 533958808 VKNHFVWOEVSNCI-SFHVURJKSA-N 319.448 4.503 30 20 DJED C[C@H](NC1CCC(Oc2ccccc2C#N)CC1)c1ccccc1 537979515 KGRXURIFTYPZAR-DZIBYMRMSA-N 320.436 4.599 30 20 DJED C=CCCC[C@H](C)NC(=O)Nc1cnn([C@@H](C)CC)c1C1CC1 538325346 TYMRIIGPAYJTDX-KBPBESRZSA-N 318.465 4.598 30 20 DJED Cc1ccnc(N2CCC[C@@H]2c2cccc3ccccc23)c1C#N 543133478 BCJAUMAVTFESIE-HXUWFJFHSA-N 313.404 4.756 30 20 DJED N#CCC[C@H](C#N)COc1ccc(Cl)cc1Cc1ccccc1 555566488 OSLYFJPFHZVWBS-MRXNPFEDSA-N 324.811 4.753 30 20 DJED CC(C)OCc1ccccc1CNc1cccc(Cl)c1C#N 565616832 LMGKGNKOQZZJPJ-UHFFFAOYSA-N 314.816 4.749 30 20 DJED N#CCCCCCC(=O)Nc1ccc(OC2CCCC2)c(F)c1 588159805 GYFDHRSXTNQXBW-UHFFFAOYSA-N 318.392 4.560 30 20 DJED CCC(CC)CN(CCC#N)C(=O)Cc1ccc2ccccc2c1 609187132 QYVOYECPCJAJJW-UHFFFAOYSA-N 322.452 4.561 30 20 DJED Cc1cccc2c(N3CCC[C@@H]3c3cccs3)c(C#N)cnc12 610211373 RGPZRXXQTXLUMB-MRXNPFEDSA-N 319.433 4.818 30 20 DJED C=C(CN[C@H](c1ccc(F)cc1)c1ccccn1)c1ccccc1 680338625 FFWFHTWGKFRZDB-OAQYLSRUSA-N 318.395 4.613 30 20 DJED O=C(/C=C\c1cnc2ccccn12)c1cccc(-c2ccccc2)c1 740765080 OXZWIJRRIUSUDH-SEYXRHQNSA-N 324.383 4.897 30 20 DJED O=C(/C=C\c1ccc2ccccc2c1)c1ccc2c(c1)COC2 742434251 DNHCCMQEHADGOV-POHAHGRESA-N 300.357 4.766 30 20 DJED C[C@@H]1/C(=C/c2cccs2)C(=O)c2cccc(Br)c21 742434274 DPTFVTZWOZRIJZ-ZPBHHCQCSA-N 319.223 4.894 30 20 DJED Oc1ccc2ccccc2c1/C=N\CCCOC1CCCCC1 747713441 YFHUZXJZSYPSLA-QNGOZBTKSA-N 311.425 4.704 30 20 DJED CCC(=NNc1c(Cl)cccc1Cl)C1CCOCC1 763179706 KGGVUOHTUCQDOP-UHFFFAOYSA-N 301.217 4.598 30 20 DJED Clc1ccccc1NN=Cc1sccc1Br 764886948 VTNNAZUSDPKULY-UHFFFAOYSA-N 315.623 4.610 30 20 DJED C=CC[C@@H](N[C@@H](C)c1ccc(OC)c(Cl)c1)c1ccncc1 766020620 QQFNGKYRGYJCBV-SUMWQHHRSA-N 316.832 4.712 30 20 DJED C#CCCCSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 766287285 DZMVRGVDRYCEDL-UHFFFAOYSA-N 300.427 4.540 30 20 DJED C/C(=C/C(=O)OCCCC(C)(C)C#N)c1cccc(Cl)c1 784036023 BHGYQNHLTSRNRX-RAXLEYEMSA-N 305.805 4.616 30 20 DJED CC(=C/c1ccccc1)/C=C/C(=O)c1cnn(C(C)(C)C)c1C 787186310 NRVIZCJMBCPIAQ-UDPMFAINSA-N 308.425 4.789 30 20 DJED CC(C)(C)SCCSc1nc(C(F)(F)F)ccc1C#N 801658720 HIIVZGWHDCZPRO-UHFFFAOYSA-N 320.405 4.596 30 20 DJED C=CCCCCCCNC(=O)[C@H]1CCSc2ccccc21 805219016 RYXGVJZQQMEKDS-INIZCTEOSA-N 303.471 4.519 30 20 DJED CC(C)=CCC[C@@H](C)CC(=O)[C@@H](C#N)c1nc2ccccc2o1 842693554 HUKCORCPLYCDAN-HUUCEWRRSA-N 310.397 4.777 30 20 DJED CCc1c(C(=O)/C=C/c2ccc(C(=O)O)cc2)oc2ccccc12 916131734 LYIDLHSVGVUODP-FMIVXFBMSA-N 320.344 4.590 30 20 DJED Fc1ccc(CNN=Cc2ccccc2-c2ccccc2)cc1F 917545653 WAWJCRAKHXBTBB-UHFFFAOYSA-N 322.358 4.756 30 20 DJED CC(C)CCC[C@H](C)N(CCC(C)C)C(=O)c1ccc(C#N)o1 1126643062 PYJPBOGMFPZSPF-INIZCTEOSA-N 318.461 4.854 30 20 DJED Cc1nc(N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)ccc1C#N 1163173503 QPOMJODXGBHOHQ-SWLSCSKDSA-N 318.207 4.537 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C/C=C/c1ccc(F)cc1 1179961848 IOWFWUGATUQNBZ-CRESCGLVSA-N 320.411 4.611 30 20 DJED CC(C)[C@H]1CCc2ccccc2[C@@H]1NCc1cccc(F)c1C#N 1205262276 RORQFCGUXPXFHK-DYESRHJHSA-N 322.427 4.747 30 20 DJED CC[C@H](CN[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 1308442407 WZQHDKYIFHTFOT-UTKZUKDTSA-N 304.437 4.719 30 20 DJED CCCc1c(N[C@H]2CCC[C@H](C)C2)cnn1-c1cccc(C#N)c1 1308700044 IVIJBOAFXQWLOD-RDJZCZTQSA-N 322.456 4.687 30 20 DJED C=C[C@@H](CC(=O)N(CC)Cc1ccccc1F)c1ccccc1 1324464695 WFWZIDKUFJDPHP-INIZCTEOSA-N 311.400 4.534 30 20 DJED Cc1cccc2sc(C(=O)O[C@@H]3CC[C@@H](C#N)C3)c(Cl)c12 1344605257 PCUIQJMKXAGIAV-GHMZBOCLSA-N 319.813 4.712 30 20 DJED CC(C)CCN(CCC#N)C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 1443570223 DFTFGRCILMLDJU-IAGOWNOFSA-N 306.494 4.627 30 20 DJED CN(CCC1CC1)CCC(C#N)(c1ccccc1)c1ccccc1 1459787433 QFXKARNIVBOTNQ-UHFFFAOYSA-N 318.464 4.618 30 20 DJED Cc1cccc2oc(C(=O)Nc3ccc(C#N)cc3Cl)cc12 1525623088 QJROCSDPXACPKT-UHFFFAOYSA-N 310.740 4.519 30 20 DJED N#CC1(CC(=O)N(CC2CCC2)c2ccccc2)CCCCC1 1531954291 CXSGXNXHPQODQK-UHFFFAOYSA-N 310.441 4.684 30 20 DJED Cc1ccnc(NCCc2c(C)cc(C(C)(C)C)cc2C)c1C#N 1559055144 ZWKABUXYQNHJIL-UHFFFAOYSA-N 321.468 4.831 30 20 DJED N#Cc1ccc(COc2ccc(OCC3CC3)c(Cl)c2)s1 1559416334 FPZBRTWIJLOMOP-UHFFFAOYSA-N 319.813 4.641 30 20 DJED N#CC1(CN[C@@H]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CCC1 1560890890 TWFZCFKDMLWCNP-CZUORRHYSA-N 323.267 4.913 30 20 DJED C[C@H]1CC(C(=O)Nc2scc(C(C)(C)C)c2C#N)C[C@H](C)C1 1584034005 MHHJYRSZVYTJDK-VXGBXAGGSA-N 318.486 4.928 30 20 DJED N#Cc1ccc(COc2ccc(SC(F)(F)F)cc2)s1 1641115508 IYTRMPTXYIOXBJ-UHFFFAOYSA-N 315.341 4.811 30 20 DJED Cc1cc(SCC(=O)c2ccc3c(c2)CCCC3)ccc1C#N 1644025777 QYIJTIBVRYPXBS-UHFFFAOYSA-N 321.445 4.721 30 20 DJED CCCOc1ccccc1[C@H](CC(C)C)NCC1(CC#N)CC1 1645046152 CTGOHLHARMVGLK-SFHVURJKSA-N 314.473 4.846 30 20 DJED N#Cc1nc(Oc2cccc(-c3ccccn3)c2)sc1Cl 1651281161 YEDMRXWFFRGHNK-UHFFFAOYSA-N 313.769 4.522 30 20 DJED CC(C)(C)C[C@H](Nc1cc(C#N)cnn1)c1ccc(Cl)cc1 1651580382 JWPRYRNCFFPKNC-HNNXBMFYSA-N 314.820 4.591 30 20 DJED N#CCC1(CN2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 1653172561 JECKGWCLRNWIMJ-OAHLLOKOSA-N 309.240 4.824 30 20 DJED Cc1ccc(CN(CC2(C#N)CC2)[C@@H]2CCc3ccccc32)cc1 1653741212 SOARMWVLRWRQCV-OAQYLSRUSA-N 316.448 4.788 30 20 DJED Cc1ccnc(N[C@@H](C)c2cc(Cl)ccc2Cl)c1C#N 1655395629 KEAWVHZUGVICNK-JTQLQIEISA-N 306.196 4.742 30 20 DJED C=C(Cl)Cn1c([C@H](C)CC)nnc1N(C)c1ccc(C)cc1 1749249607 LGDRGYOHRKXGDN-CYBMUJFWSA-N 318.852 4.620 30 20 DJED Cc1c(NN=C2CC[C@](C)(c3ccccc3)C2)cccc1C(=O)O 1776087740 SPMCSOKZBJOADY-FQEVSTJZSA-N 322.408 4.603 30 20 DJED N#Cc1ccc(OCc2ccc(-c3ccccc3C#N)cc2)cc1 22414620 HWAMKEZTXOHZLR-UHFFFAOYSA-N 310.356 4.676 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1ccccc1SC(C)C 63961175 LMXUAQTZUVOPAV-UHFFFAOYSA-N 310.422 4.620 30 20 DJED C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1cc(C#N)cs1 84113258 ILJZHLXVZOXTPO-AWEZNQCLSA-N 324.449 4.623 30 20 DJED Cc1ccccc1-c1nnc(S[C@@H](C#N)C2CCCCC2)o1 115184699 VRMMOTKPTWVICE-HNNXBMFYSA-N 313.426 4.610 30 20 DJED CC(C)(C#N)c1ccccc1CNc1ccc(F)c(F)c1F 131455081 BJHYYCRLOFDELU-UHFFFAOYSA-N 304.315 4.517 30 20 DJED CC(C)(CCC#N)CN1CCC(Oc2ccccc2Cl)CC1 155125791 IWLDCYFATREKSV-UHFFFAOYSA-N 320.864 4.513 30 20 DJED C=C[C@H](CC(=O)Nc1cccc(Cl)c1OC)c1ccccc1 159246035 KQOXREIBUKRRMC-CYBMUJFWSA-N 315.800 4.647 30 20 DJED C[C@H](N[C@H](C)c1ccc(OCC#N)cc1)C(C)(C)c1ccccc1 181677049 AMFXEEVOPTZSIA-SJORKVTESA-N 322.452 4.606 30 20 DJED C[C@H](N[C@@H](c1ccc(F)cc1)C1CCC1)c1cccc(C#N)c1 181685485 PFRBYUNKOCAQMW-VBKZILBWSA-N 308.400 4.889 30 20 DJED N#Cc1csc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)c1 255519242 DNNIXHMTXNIRCQ-PLNGDYQASA-N 316.385 4.578 30 20 DJED CC[C@@H](C)Sc1ccc(NC(=O)[C@](C)(C#N)CC)c(C)c1 288671590 SSTWLMAJNUIQRC-DYVFJYSZSA-N 304.459 4.764 30 20 DJED Cc1cc(NCCCC(C)(C)C#N)c(F)cc1Br 310981120 FXRMQXZRCZVTQE-UHFFFAOYSA-N 313.214 4.639 30 20 DJED Cc1[nH]nc(C(F)F)c1N=C(O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 329090627 JCTLURXINNFZRT-SDDRHHMPSA-N 311.376 4.850 30 20 DJED CC[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1c(C)noc1C 360646952 LACOBEOPPNZRDQ-RTBURBONSA-N 323.440 4.672 30 20 DJED C[C@@H](NCc1ccc(Cl)c2cccnc12)c1ccc(C#N)cc1 391169568 FKASXYPOCPQCCA-CYBMUJFWSA-N 321.811 4.611 30 20 DJED C[C@H](C(=O)Nc1scc(C(C)(C)C)c1C#N)c1cccs1 410931473 UWWPYZHYALGRRT-JTQLQIEISA-N 318.467 4.721 30 20 DJED N#CC1(CSCc2ccc(Cl)c3cccnc23)CCC1 419392281 RWCDYNJTYINJPP-UHFFFAOYSA-N 302.830 4.815 30 20 DJED CC(C)[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 471582155 SZEQHXZEXGEODL-RCBQFDQVSA-N 310.363 4.684 30 20 DJED CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C(C)(C)C#N)cc1 476281617 BZYCLTGAWOPWHZ-YJBOKZPZSA-N 312.457 4.529 30 20 DJED C=CC1CCN(C(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)CC1 480093318 NNIAFRKFRJAARD-UHFFFAOYSA-N 323.223 4.513 30 20 DJED Cc1ccccc1N(C(=O)C[C@@H](CC#N)c1ccccc1)C(C)C 483479210 VMOGRMWFKMJKNP-LJQANCHMSA-N 320.436 4.824 30 20 DJED Cc1cccc(-c2ccc(CNCc3cc(C#N)cs3)cc2)c1 500749161 MZWIXPUJGDQZMP-UHFFFAOYSA-N 318.445 4.885 30 20 DJED CN(Cc1ccc(C#N)cc1)Cc1ccc(Oc2ccccc2)o1 507607473 RBTMPSXSOVZKIF-UHFFFAOYSA-N 318.376 4.576 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)c1ccc(F)cc1 512507009 SWQNXNVVDJUMNB-MRXNPFEDSA-N 315.436 4.742 30 20 DJED C=CCC1(C(=O)Nc2cc(-c3cncc(F)c3)ccc2C)CCC1 512730459 RPUDVCLNJBAZLW-UHFFFAOYSA-N 324.399 4.881 30 20 DJED C=CCN(Cc1cccs1)C(=O)[C@@H](CC)CC1CCCC1 513431954 MLCXLIQKUFPHGZ-INIZCTEOSA-N 305.487 4.869 30 20 DJED Cc1nc(S[C@H](C#N)C2CCCCC2)n(CC(C)C)c1C 522331856 IBJJSPNNZWOXPB-MRXNPFEDSA-N 305.491 4.721 30 20 DJED CC(C)n1ccc(COc2ccc(-c3ccc(C#N)cc3)cc2)n1 522631530 CAHHLVSHKQOYQR-UHFFFAOYSA-N 317.392 4.582 30 20 DJED COCCCCCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 541087083 WBXQDRCOTGFRSV-QGZVFWFLSA-N 322.452 4.693 30 20 DJED C[C@H]1C[C@H]1c1ccc(CN(Cc2ccc(CC#N)cc2)C2CC2)o1 542210454 SIXMORGJTPMURI-MGPUTAFESA-N 320.436 4.634 30 20 DJED C=CCC[C@H](NC(=O)c1cc(C#N)ccc1Cl)c1ccccc1 560600131 TWLJUTFFWDLSCQ-SFHVURJKSA-N 324.811 4.649 30 20 DJED CC[C@@H](c1ccccc1)c1nnc(SCC(C)(C)CC#N)o1 566497899 OFXPEVOAQYJSOW-AWEZNQCLSA-N 315.442 4.643 30 20 DJED C[C@H](NCc1ccc(CC#N)cc1)c1ccc(F)c2ccccc12 579401524 PQGRLIXLFJAORA-HNNXBMFYSA-N 318.395 4.896 30 20 DJED Cc1cccc([C@@H]2CCCCN2C(=O)CCCCCC#N)c1C 588640201 GGHNJVREALTZDM-IBGZPJMESA-N 312.457 4.831 30 20 DJED C[C@H](Cc1ccc(C#N)cc1)c1nc([C@@H](C)c2cccs2)no1 594528330 AGRMYBUEARQAGR-OLZOCXBDSA-N 323.421 4.501 30 20 DJED N#CCCSc1ccccc1NC(=O)CCC1CCCCC1 609375290 DIEJLWPWPSLTSH-UHFFFAOYSA-N 316.470 4.991 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cscc1Cl 611276718 XZRYPSIVIKHJJM-WBVHZDCISA-N 316.857 4.673 30 20 DJED C[C@@H]1CCC[C@@H](c2noc(-c3cc4ccccc4n3CC#N)n2)C1 612911179 KJZCNLSBXJWDGP-UKRRQHHQSA-N 320.396 4.509 30 20 DJED CC(C)[C@@H](C)N1Cc2ccc(N=Cc3ccccc3O)cc2C1 726428389 ACLRBBJSHNDHPE-OAHLLOKOSA-N 308.425 4.503 30 20 DJED CC1(C)/C(=C/c2cc(F)c(F)c(F)c2)C(=O)c2ccccc21 727974297 IYZHUZSVPVPKHF-NTUHNPAUSA-N 302.295 4.661 30 20 DJED CCc1ccc(C(=O)/C=C/c2nc(-c3ccccc3)cs2)o1 752237954 LDWHGQKNCVEQTI-PKNBQFBNSA-N 309.390 4.862 30 20 DJED C=CCN(Cc1ccccc1)C(=O)CCCSC(C)(C)C 753948102 YCVNGMVPRKMMTO-UHFFFAOYSA-N 305.487 4.513 30 20 DJED COc1ccc(Cl)cc1/C=C\C(=O)c1cc(F)ccc1F 757473732 HEQZOIJUGAHKLK-KXFIGUGUSA-N 308.711 4.523 30 20 DJED CC(C)n1cc(C(=O)/C=C\c2csc(Cl)c2Cl)cn1 761479337 ZUFYIQSKWSTRAC-ARJAWSKDSA-N 315.225 4.728 30 20 DJED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(C(F)(F)F)s1)C2 761479731 MSZYWVCJWBHVPN-YFHOEESVSA-N 324.323 4.598 30 20 DJED O=C1/C(=C\c2ccc3ncccc3c2)[C@@H]2CCCc3cccc1c32 763291366 XJOJIYQRNSLRJS-NFBGKYEXSA-N 311.384 4.935 30 20 DJED C=CC[C@@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1ccncc1 766020131 OXMYFHOLEOASMR-HRAATJIYSA-N 306.453 4.928 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1cnc(Cl)cc1C 766258010 BMFQFCLRDMJKMH-UHFFFAOYSA-N 321.852 4.644 30 20 DJED CC[C@H](CC#N)OC(=O)c1cc(-c2ccc(F)cc2)c(C)s1 787078072 HMZBVJRWPSYMLV-CQSZACIVSA-N 317.385 4.712 30 20 DJED CCOc1cccc2cc(C(=O)/C=C/c3ccnn3C(C)C)oc12 794938608 MPLLZQQAWRKPNZ-CMDGGOBGSA-N 324.380 4.505 30 20 DJED C/C(C=NOCc1ccccc1)=C/c1ccccc1OC(F)F 811637076 QJRGRJAEDRVONW-LZBCDJOTSA-N 317.335 4.894 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCc1csc(Cl)n1 853059037 RRARTNHFECDEOG-SNVBAGLBSA-N 323.874 4.803 30 20 DJED C=CCCCN(CC)Cc1c(C(=O)O)sc2cccc(F)c12 903961514 ZTGZEFDJQBEAIQ-UHFFFAOYSA-N 321.417 4.527 30 20 DJED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 915085340 ARHOGSFJAKDLSA-FQEVSTJZSA-N 312.372 4.594 30 20 DJED CCc1cccc2c(/C=C/C(=O)c3ccc(OC)cc3F)c[nH]c12 916141647 OGHIWMHJAFUOEJ-JXMROGBWSA-N 323.367 4.774 30 20 DJED Cc1cc(Cl)c(C(=O)Nc2ccc(Cl)cc2C#N)cc1C 1131133941 AYZAYGNELFTYOT-UHFFFAOYSA-N 319.191 4.734 30 20 DJED Cc1cc(C)cc(Oc2ccc(Nc3nccnc3C#N)cc2)c1 1184966340 VODARHMDMIROGY-UHFFFAOYSA-N 316.364 4.501 30 20 DJED C[C@@H]1CC(C)(C)CC[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N 1185620590 LZJZXNCXZOAUSK-PWSUYJOCSA-N 311.351 4.599 30 20 DJED C=C(Cl)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1188216714 BTQXXBOSHDTTSI-UHFFFAOYSA-N 304.617 4.856 30 20 DJED CCOC(=O)Nc1ccc(N[C@@H](C)CC2CCCC2)cc1C#N 1205380047 NCOSAOMEMWSWQZ-ZDUSSCGKSA-N 315.417 4.507 30 20 DJED CCCCCCCc1nnc([C@@H](C)Oc2ccccc2F)o1 1322092399 UXOUHTYFKPTLHQ-CYBMUJFWSA-N 306.381 4.862 30 20 DJED N#Cc1cc(-c2nnc(-c3cc4ccccc4o3)o2)ccc1Cl 1328370889 CAWADDMUAYHMNL-UHFFFAOYSA-N 321.723 4.675 30 20 DJED CC1CC(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 1459937364 WPMPFLVNFZQMAA-PQUAAJSLSA-N 304.437 4.922 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCC[C@@H]1/C=C/c1ccccc1 1460870401 GWJDVWVNLMPECL-OJLWIZQOSA-N 322.839 4.889 30 20 DJED CC(F)(F)c1ccc(C(=O)Nc2ccc(Cl)cc2C#N)cc1 1461550022 MJQUDSFSTODEOP-UHFFFAOYSA-N 320.726 4.576 30 20 DJED CC[C@H](Cc1ccc(C)cc1)N(CC)Cc1ccc(C#N)cc1F 1461842954 HVZVHZMKEZGFBQ-HXUWFJFHSA-N 324.443 4.849 30 20 DJED CCC[C@@H]1CCc2ccccc2N1Cc1cc(C#N)ccc1OC 1473253057 BJHQBEXTEKDGJW-LJQANCHMSA-N 320.436 4.688 30 20 DJED CCCN(C/C=C\c1cccc(F)c1)Cc1ccc(C#N)cc1 1474374577 WPBRSWMAHCACOS-XQRVVYSFSA-N 308.400 4.623 30 20 DJED Cc1c(C(=O)O[C@H](C)c2ccc(C#N)cc2)oc2c(C)cccc12 1515122993 BHYAALFBJSWAHH-CQSZACIVSA-N 319.360 4.839 30 20 DJED CC[C@H](OC(=O)c1cccc(C#N)c1)c1c(F)cccc1Cl 1519120443 HIAQJSBWUAJLAR-HNNXBMFYSA-N 317.747 4.659 30 20 DJED Cc1ccc2sc(C(=O)OCc3ccc(CC#N)cc3)cc2c1 1520641623 ZJBSWSNBZZZSHL-UHFFFAOYSA-N 321.401 4.633 30 20 DJED Cc1oc(C(C)C)cc1C(=O)Nc1cc2ccccc2cc1C#N 1535801013 XHMRBAYKGYLDFU-UHFFFAOYSA-N 318.376 4.989 30 20 DJED CC[C@H](OC(=O)CC1(C#N)CCCCC1)c1ccc(F)cc1F 1537406645 GYPZMWURGCYXBF-INIZCTEOSA-N 321.367 4.823 30 20 DJED Cc1ccc(C#N)c(Nc2cccc(-c3ccc(F)c(F)c3)c2)n1 1559190316 OYJCFNLCYGXLMA-UHFFFAOYSA-N 321.330 4.951 30 20 DJED N#Cc1ccccc1SCc1cc(F)ccc1OC(F)F 1613552155 MOJDABIFPGVJFM-UHFFFAOYSA-N 309.312 4.591 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1cscc1Cl 1657496607 RXYDMKLRUJWHNP-UHFFFAOYSA-N 306.818 4.672 30 20 DJED N#Cc1ccccc1-c1ccc(CN2CC[C@@H]3CCCC[C@@H]32)cc1 1659159716 XUIFRXBYPPTDCS-UGKGYDQZSA-N 316.448 4.990 30 20 DJED CCCC[C@H](CC)CNC(=O)N[C@H](CCC#N)c1ccccc1 1674002205 NGCJFGDRXBPEPS-FUHWJXTLSA-N 315.461 4.547 30 20 DJED CC[C@@H](C)c1ccc(C(=O)/C=C/c2ccc(O)c(C(=O)O)c2)cc1 1776697674 METBEDHIJXRAOY-MQSIBISMSA-N 324.376 4.500 30 20 DJED CCOc1ccc(/C=C/C(=O)c2cccc(F)c2)cc1OCC 60108360 IJRPXGKQGSDJKS-CSKARUKUSA-N 314.356 4.519 30 20 DJED N#Cc1ccccc1COc1cc(Br)ccc1Cl 70194729 YXKUTNZLEFVURM-UHFFFAOYSA-N 322.589 4.553 30 20 DJED CC(C)[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccccc1 72786432 MFJLLLUMPAUTSO-OAQYLSRUSA-N 321.468 4.523 30 20 DJED CC(C)c1cccc(N(C)C(=O)c2cccc(SCC#N)c2)c1 79439491 PJXPTMYPLKNXCA-UHFFFAOYSA-N 324.449 4.702 30 20 DJED C=C[C@H](CC(=O)N(C)c1nc2ccccc2s1)c1ccccc1 121348429 OXNXUBPHNSOWCF-CQSZACIVSA-N 322.433 4.619 30 20 DJED N#Cc1ccc(NCCCCC(F)(F)F)cc1C(F)(F)F 125320712 XPANPSRIASMHQD-UHFFFAOYSA-N 310.241 4.722 30 20 DJED O=C(/C=C/c1cccc(-c2cccnc2)c1)c1ccc(F)cc1F 128895825 QFTCNYZBKPZKMF-RMKNXTFCSA-N 321.326 4.923 30 20 DJED CCCCCCC[S@](=O)Cc1nc(-c2ccccc2)oc1C 132865979 MDENUFDCSXJFSG-JOCHJYFZSA-N 319.470 4.869 30 20 DJED CC(C)c1ccccc1NC(=O)[C@H](C)Sc1ccccc1C#N 172679519 DQLGIMMZILLEKJ-AWEZNQCLSA-N 324.449 4.801 30 20 DJED CC(C)(C#N)CCCN1CCC[C@@H]1c1nc2ccccc2s1 174808855 PNOBKIQYQBWPOT-OAHLLOKOSA-N 313.470 4.763 30 20 DJED C=CCC[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 180039941 GAZUJXWHCRHZSQ-QGZVFWFLSA-N 314.360 4.531 30 20 DJED CCSc1cccc(CNc2ccccc2O[C@H](C)C#N)c1 185622046 XWRWTNWCHUEIAZ-CQSZACIVSA-N 312.438 4.702 30 20 DJED Cc1cc(C#N)ccc1CN(C)[C@H](C)c1nc2ccccc2s1 186262230 QNZUBEHQTCHZTR-CQSZACIVSA-N 321.449 4.669 30 20 DJED N#Cc1ccc(CNC(c2ccccc2)c2ccccc2)cc1F 190315579 JIFGLPHPJJZIGX-UHFFFAOYSA-N 316.379 4.577 30 20 DJED Cc1ccc([C@@H](C)Nc2ccc(C#N)c(Br)c2)cc1 228181812 PVLOYOTUEMYFBD-GFCCVEGCSA-N 315.214 4.802 30 20 DJED CSc1ccc(Oc2ccc(C#N)c(Br)c2)cc1 228202304 AJCHALXBGJMKLW-UHFFFAOYSA-N 320.211 4.835 30 20 DJED CN(CCCCC(C)(C)C#N)Cc1ccccc1Br 234272633 WNHOMXBNCPJIBP-UHFFFAOYSA-N 323.278 4.601 30 20 DJED CC(C)[C@H](CNCc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1 236680370 FDZGUKIPARDHLQ-UWJYYQICSA-N 322.452 4.507 30 20 DJED CCCCCCCCC(=O)Nc1cccc(C[S@](C)=O)c1C 265274824 PIMZBDDNNYHAGA-QFIPXVFZSA-N 323.502 4.563 30 20 DJED N#CCCCCSCc1coc(-c2ccc(Cl)cc2)n1 268754942 WXUOOYGEABEURP-UHFFFAOYSA-N 306.818 4.922 30 20 DJED C=CCC[C@@H](NCc1nc(C(C)(C)C)cs1)c1ccco1 286368500 ZNPYPCXUAATUAE-CYBMUJFWSA-N 304.459 4.831 30 20 DJED C[C@H](Nc1nc(-c2ccccc2)cs1)c1cccc(C#N)c1 301584718 AUFQOQDPBJNXTO-ZDUSSCGKSA-N 305.406 4.855 30 20 DJED C[C@@H]1CCc2c(F)cccc2[C@H]1Nc1snc(Cl)c1C#N 301946868 CLNLDSPOVASMOP-OQPBUACISA-N 321.808 4.543 30 20 DJED CCc1ccc2c(c1)[C@H](CC/N=C(/O)C1CC(C)(C)C1)C(O)=N2 329094881 XTBDMQUVEIEHHO-AWEZNQCLSA-N 314.429 4.717 30 20 DJED CC(O)=Nc1cccc(/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1C 329852257 UOWHNRKRETVAPR-ARFHVFGLSA-N 314.429 4.876 30 20 DJED COc1ccc(Cl)cc1[C@@H](CC(C)C)NCCCCC#N 341856316 VDPLHGXONMBVSQ-MRXNPFEDSA-N 308.853 4.719 30 20 DJED C[C@@H](CC(=O)N[C@@H](CCCC#N)c1ccccc1)C(C)(C)C 352193465 SOUQDRLHDAMBAL-RDJZCZTQSA-N 300.446 4.610 30 20 DJED CC[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cc(F)ccc1F 353274233 OEAXPGIJTFMPSU-RTBURBONSA-N 312.363 4.565 30 20 DJED N#CCC1(CN[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 430755395 QGFDPXTZEDBAAP-SFHVURJKSA-N 310.828 4.713 30 20 DJED COC(=O)c1ccc(CSCCCCC(C)(C)C#N)cc1F 435892924 MTIRLUWUIOMIOT-UHFFFAOYSA-N 323.433 4.566 30 20 DJED CCc1ccc(-c2ccc(C(=O)Nc3sccc3C#N)o2)cc1 443825367 RCMSQSDBJFRMDJ-UHFFFAOYSA-N 322.389 4.694 30 20 DJED C[C@@H](Cc1ccccc1C(F)(F)F)NC1CCC(C)(C#N)CC1 449233197 XUUAGBDERPNAFU-KTAKPFMOSA-N 324.390 4.698 30 20 DJED C=CCN(C(=O)C[C@@H](C)Cc1cccc(F)c1)c1ccccc1 470830996 KBVLSZSKHICVMR-INIZCTEOSA-N 311.400 4.614 30 20 DJED CC(C)(C#N)c1ccc(C(=O)N(CC2CCCCC2)C2CC2)cc1 475019333 YRGUKFTZQRUDCW-UHFFFAOYSA-N 324.468 4.673 30 20 DJED C=CCC1(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CCC1 478284803 BCWVOLBRCMSRKC-UHFFFAOYSA-N 312.240 4.698 30 20 DJED C[C@H](C#N)CSc1ccccc1NCc1ncc(Cl)s1 478331343 CIZRIFMUMNWROO-SNVBAGLBSA-N 323.874 4.660 30 20 DJED C=CCN1CCC(N[C@@H](C)c2cccc(-c3ccccc3)c2)CC1 482632148 UHFXIDURUOPQMW-SFHVURJKSA-N 320.480 4.655 30 20 DJED CCCN(C(=O)c1sccc1C#N)[C@H](CC)c1ccccc1 497988695 CSLWNCWGRMEUHX-MRXNPFEDSA-N 312.438 4.623 30 20 DJED N#Cc1ccc(SCC(=O)c2ccccc2)cc1C(F)(F)F 499474959 ORDMAOFQQYDYCB-UHFFFAOYSA-N 321.323 4.552 30 20 DJED C[C@@H](Sc1ccc(C#N)cn1)c1ccccc1Br 513325148 ODCXRBHATSQZBD-SNVBAGLBSA-N 319.227 4.569 30 20 DJED CCCc1cc(C(=O)N[C@](C)(C#N)C2CCCCC2)sc1C 515013307 GQMZCVKIADKWLX-GOSISDBHSA-N 318.486 4.601 30 20 DJED C=CCCN[C@H](c1ccc(OC)cc1)c1ccccc1Cl 525356878 XCWLQTVGYAJMQT-GOSISDBHSA-N 301.817 4.604 30 20 DJED C[C@H](NCc1cccc(C#N)c1F)c1cccc2ccccc12 540342940 QIJTZSYPOGVOPQ-AWEZNQCLSA-N 304.368 4.701 30 20 DJED C=CCC[C@@H](NCCc1nc2c(C)cccc2o1)c1ccco1 552045317 CTZDGFCUBXYEMS-OAHLLOKOSA-N 310.397 4.569 30 20 DJED C=CCn1cccc1C(=O)N(C)c1ccc(-c2ccccc2)cc1 562335474 JMGTXZDBKBITMV-UHFFFAOYSA-N 316.404 4.618 30 20 DJED N#CCCCCCC(=O)N1CCCCC[C@@H]1/C=C\c1ccccc1 588755579 PVXFIFKNIYOEJA-CNNWTFKKSA-N 324.468 4.945 30 20 DJED Cc1ccc(CN(CC(C)C)C(=O)CCCCCC#N)c(C)c1 592670946 BGCUHOIMZRNBFU-UHFFFAOYSA-N 314.473 4.762 30 20 DJED C[C@H](C(=O)N(Cc1ccco1)c1ccccc1C#N)C1CCCC1 610550380 JZXOEPWKGWLRPQ-HNNXBMFYSA-N 322.408 4.511 30 20 DJED C=CCN(CC=C)C(=O)N[C@@H](c1cccs1)C(CC)CC 615884251 OKROJBVCZVWZCF-MRXNPFEDSA-N 306.475 4.609 30 20 DJED C=CCN(C(=O)c1csc(-c2ccccc2C)n1)C(C)(C)C 622944329 NNODBDDSVSQALS-UHFFFAOYSA-N 314.454 4.545 30 20 DJED CCn1cc(/C=C/C(=O)c2ccc(-c3cccs3)cc2)cn1 732530716 PZOIZUKDZULBQQ-BJMVGYQFSA-N 308.406 4.528 30 20 DJED C[C@H](CC#N)OC(=O)c1sc2cc(Cl)ccc2c1Cl 733708218 OCMAZDJVKKJSOY-SSDOTTSWSA-N 314.193 4.667 30 20 DJED COc1ccc(CN[C@H](C)c2csc3ccccc23)cc1C#N 742370122 GQRBOKXWQVCVQC-CYBMUJFWSA-N 322.433 4.632 30 20 DJED CC(=NNc1ncc(Cl)cc1Cl)[C@H](C)c1ccccc1 746371587 XXUNGZWVUUDZEF-JTQLQIEISA-N 308.212 4.980 30 20 DJED CCCn1nc(C)c(/C=C2/C[C@H](C)c3ccccc3C2=O)c1C 751534104 BIGCMTQVWFRGGJ-WIOAZZGGSA-N 308.425 4.683 30 20 DJED Cc1ccc2cc(C(=O)/C=C/c3cccc(OCC#N)c3)oc2c1 754829948 NXDDNGZIGIOLSQ-SOFGYWHQSA-N 317.344 4.540 30 20 DJED O=C(/C=C\c1nc(-c2ccccc2)cs1)c1ccccc1F 757465808 XYINOPPBAIKBMN-KHPPLWFESA-N 309.365 4.845 30 20 DJED CCCCCCCCC/C=C/C(=O)N1CCC[C@@H]1c1ncc[nH]1 777455303 ALENLNJDDSOHFF-JIIJFUIFSA-N 317.477 4.770 30 20 DJED O=C1/C(=C\c2ccc(SC(F)F)cc2)Cc2cc(O)ccc21 780188919 RUXPHRRPQDUNEE-GHXNOFRVSA-N 318.344 4.529 30 20 DJED N#CCOc1cccc(/C=C\C(=O)c2cc3ccccc3s2)c1 780188953 QTPKBIOJRSUHDE-HJWRWDBZSA-N 319.385 4.700 30 20 DJED CCc1cccc2c(/C=C\C(=O)c3ccnc(Cl)c3)c[nH]c12 782192708 ARCGULNIQFDWKN-SREVYHEPSA-N 310.784 4.675 30 20 DJED CCC[C@H](N[C@@H](CC)c1ccc(C#N)cc1)[C@H](O)c1ccccc1 794830188 HWRCPYJWTZDJKC-PCCBWWKXSA-N 322.452 4.501 30 20 DJED C=CCNC(=S)N(C)[C@H](c1ccc(Cl)cc1)C(CC)CC 794998789 GZGYQFBWCDZMRH-INIZCTEOSA-N 324.921 4.810 30 20 DJED O=C1/C(=C/c2ccc(-c3ccccc3F)o2)Cc2c(O)cccc21 810251293 QDRILGLBAKDCJQ-ZRDIBKRKSA-N 320.319 4.614 30 20 DJED N#Cc1sc(Oc2cncc(-c3ccccc3)c2)nc1Cl 811848328 ZSSJPIMMZCTFKW-UHFFFAOYSA-N 313.769 4.522 30 20 DJED CCc1ccc(C(=O)/C=C/C(C)=C/c2ccccc2COC)o1 814190623 UILXERMLIIEDEG-PXELCPQFSA-N 310.393 4.831 30 20 DJED Cc1ccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2F)cc1Cl 814191128 MGZQTXPOMHQBJQ-QPJJXVBHSA-N 319.719 4.592 30 20 DJED CCCCCCCCC(=O)N1CCC(c2cccc(N)c2)CC1 818611114 DQPMNNJNMLQKHD-UHFFFAOYSA-N 316.489 4.725 30 20 DJED Clc1ccc(CON=Cc2ccccc2Br)cc1 852249288 XSSYDHGUAVLIFM-UHFFFAOYSA-N 324.605 4.653 30 20 DJED Cc1cc(/C=C/C(=O)c2cccs2)cc(C)c1OC(F)F 916136273 DQUJNYDYDMILGB-AATRIKPKSA-N 308.349 4.862 30 20 DJED CC(C)(C)OCc1cccc(NCc2cc(C#N)cs2)c1 922916250 ZSJZIMMRNYXGER-UHFFFAOYSA-N 300.427 4.547 30 20 DJED C/C(=C\c1c(Cl)cccc1Cl)C(=O)O[C@@H]1CC[C@H](C#N)C1 1122640828 OSPRDSUXBSAEQO-GJKHTVIGSA-N 324.207 4.632 30 20 DJED CCSCc1ccc(Nc2nc(C#N)c(Cl)s2)cc1 1163320416 ZGZPKRRVYSBQHV-UHFFFAOYSA-N 309.847 4.665 30 20 DJED C[C@H]1[C@H](C)CCN1CCC(C#N)(c1ccccc1)c1ccccc1 1167631666 WSEOGNXSEXMEQP-MOPGFXCFSA-N 318.464 4.617 30 20 DJED C[C@H](CNc1c(C#N)cnc2c(Cl)cccc12)C(C)(C)C 1187634141 ZIDWSKOWRQLLPN-LLVKDONJSA-N 301.821 4.854 30 20 DJED CC[C@@H]1CCCN(c2c(C#N)cnc3c(Cl)cccc23)CC1 1306967658 RNRVPZVVVBHHPZ-CYBMUJFWSA-N 313.832 4.776 30 20 DJED Cc1nsc(NCC(C)(C)c2ccc3ccccc3c2)c1C#N 1307181483 ZLZNMHHEUQBRIK-UHFFFAOYSA-N 321.449 4.866 30 20 DJED COc1cc(O)ccc1/C=C\C(=O)c1cc(Cl)ccc1Cl 1337122277 NLPNHKBTFUIBSY-CLTKARDFSA-N 323.175 4.604 30 20 DJED N#Cc1ccc(C(=O)OC2CCCCCCCCCCC2)o1 1351264218 QMAZFSHZXDKXEH-UHFFFAOYSA-N 303.402 4.981 30 20 DJED N#C[C@H]1CCC[C@H](OC(=O)c2cc3c(s2)CCCCCC3)C1 1436650257 WXGRIFMGPYZXHV-ZFWWWQNUSA-N 317.454 4.646 30 20 DJED N#C[C@@]1(C(=O)OCc2cc(Cl)ccc2Cl)CC12CCCC2 1458865954 UMXDJNFYIPIMPV-MRXNPFEDSA-N 324.207 4.511 30 20 DJED Cc1cccc2c1N(C(=O)c1ccc(C#N)c(Cl)c1)CC[C@@H]2C 1460354285 PCGVOYIGOHWKMP-LBPRGKRZSA-N 324.811 4.674 30 20 DJED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)[C@H](C)c1ccc(Cl)cc1 1462205502 YPLSKKFZEGMILH-YRVVQQKDSA-N 324.855 4.981 30 20 DJED N#Cc1c(NC2CCCCCC2)nc2c(c1C#N)CCCCCC2 1472640014 NRJNFNHBOKQINX-UHFFFAOYSA-N 322.456 4.619 30 20 DJED CC[C@H](CN(CC)c1snc(Cl)c1C#N)c1ccccc1 1472763254 MHLUXUBSTRAJGC-GFCCVEGCSA-N 319.861 4.688 30 20 DJED C=C(CNC(=O)c1ccc(C(C)C)c(Cl)c1)c1ccccc1 1527981543 PHKVZGGGMRQXQJ-UHFFFAOYSA-N 313.828 4.907 30 20 DJED C[C@H]1CC(C)(C)c2cccc(NC(=O)c3cc(C#N)cs3)c21 1617201319 UANTUCVRTOKMCL-NSHDSACASA-N 310.422 4.657 30 20 DJED Cc1cc(Cl)ccc1Oc1ccc(CN[C@H](C)CC#N)cc1 1643629077 HZYMIEGLDFGFQU-CQSZACIVSA-N 314.816 4.833 30 20 DJED CC(C)[C@H](CNc1nc(C#N)c(Cl)s1)Cc1ccccc1 1650983803 NKJZPYARSYNHMB-ZDUSSCGKSA-N 319.861 4.595 30 20 DJED CCc1cccc2cc(CNCc3ccc(C#N)c(Cl)c3)oc12 1656146820 WRKSKEGTKITTNZ-UHFFFAOYSA-N 324.811 4.810 30 20 DJED Cc1ccc(SCCN2CCCc3cc(C#N)ccc32)cc1C 1658800925 HOQSKVNDPMXHME-UHFFFAOYSA-N 322.477 4.720 30 20 DJED C=CCC[C@H]1CCCN1Cc1c(C(=O)O)sc2ccccc12 1776170782 QTWWUYOZFNMZJU-ZDUSSCGKSA-N 315.438 4.530 30 20 DJED CC(/C=C\C(=O)c1cc(C(=O)O)ccc1C)=C/c1ccccc1 1776399051 TWQPGLWZDFTNIR-WTWRPZBJSA-N 306.361 4.536 30 20 DJED CCCCc1ccc(C(=O)/C=C\c2cc(C(=O)O)c(C)o2)cc1 1776805977 MJMZGRDOOGOHBJ-KHPPLWFESA-N 312.365 4.525 30 20 DJED N#Cc1cccc(CN(Cc2cccs2)Cc2cccs2)c1 16396722 RJZFQNUQJFGFHF-UHFFFAOYSA-N 324.474 4.884 30 20 DJED CN(C)c1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1 34476168 MIYWJBLLHHXSFR-LFYBBSHMSA-N 319.326 4.668 30 20 DJED CCC[C@H](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N 66800807 LCCBLDXNPHCNKL-UONOGXRCSA-N 304.459 4.846 30 20 DJED CCc1ccccc1NC(=O)Nc1cccc(OCCCC#N)c1 113528883 KWHICRYXYNXYED-UHFFFAOYSA-N 323.396 4.576 30 20 DJED CCc1ccccc1C(=O)Nc1ccccc1SC[C@H](C)C#N 124764373 BXQSUTIGUYOJDS-CQSZACIVSA-N 324.449 4.753 30 20 DJED CCCCOc1ccccc1NCc1ccc(O[C@@H](C)C#N)cc1 159282831 BJHRDLYZCSTGSQ-INIZCTEOSA-N 324.424 4.768 30 20 DJED CCOc1cccc(C(=O)/C=C\c2cc3cccc(OC)c3o2)c1 211140097 BRHDDWQSHTYWBZ-KHPPLWFESA-N 322.360 4.736 30 20 DJED CCCCCCCCCC(=O)N1CCn2c1nc1ccccc12 219770551 OYSJDFQAUGJSEP-UHFFFAOYSA-N 313.445 4.524 30 20 DJED N#Cc1ccc(N[C@@H]2CSc3ccccc32)cc1C(F)(F)F 317195873 KUNKTLWBPLBQLB-CQSZACIVSA-N 320.339 4.836 30 20 DJED CC(C)c1cccc(C(C)C)c1N/C(O)=N/C[C@]1(C)CCOC1 330756121 GVAPDZMXFBMANC-IBGZPJMESA-N 318.461 4.686 30 20 DJED CCO[C@@H](C)c1ncc(/C(O)=N/C2CCC(C(C)C)CC2)s1 331076454 LNCNKQCVZZFNSM-HSBZDZAISA-N 324.490 4.760 30 20 DJED C=CCC1(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)CCC1 359439010 NCFSLKCEMHQQGT-UHFFFAOYSA-N 309.413 4.515 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccc(C2CC2)cc1 417362288 ZXTNJMMKCHFTDT-UONOGXRCSA-N 308.400 4.987 30 20 DJED CCSc1cccc(-c2noc(-c3cccc(CC#N)c3)n2)c1 426604187 HNMMOIBXAOPHGS-UHFFFAOYSA-N 321.405 4.582 30 20 DJED C=CCN(C)Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl 428372383 IMRGNVGWEMTBIS-UHFFFAOYSA-N 317.864 4.576 30 20 DJED C=CCCCN(C)C(=O)Nc1cc2sc(C)nc2cc1Cl 435180289 DOSILFFJZNWTDW-UHFFFAOYSA-N 323.849 4.688 30 20 DJED C=CCC[C@@H](NC1CCN([C@@H](C)c2ccccc2)CC1)C1CC1 438984868 MCSRHZKBZUVMMP-LAUBAEHRSA-N 312.501 4.546 30 20 DJED CC1(C#N)CCC(NC2CCC(c3ccc(F)cc3)CC2)CC1 449232628 IOSZLQSPFALPJD-UHFFFAOYSA-N 314.448 4.914 30 20 DJED C=CCOc1ccc(Oc2ncnc3sc(C)c(C)c23)cc1 462945083 GWTANNDMUAQAFR-UHFFFAOYSA-N 312.394 4.665 30 20 DJED N#Cc1ccc(F)cc1CSCc1coc(-c2ccccc2)n1 468948570 LXWQIIXLOAXMIU-UHFFFAOYSA-N 324.380 4.786 30 20 DJED Cc1c(C#N)cccc1NC(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C 477965184 LSSCNTBJTJELSW-BBRMVZONSA-N 313.445 4.545 30 20 DJED C=C(C)CCN1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 509366709 PRUNKVZLLLAJIQ-QGZVFWFLSA-N 311.473 4.763 30 20 DJED N#Cc1ccc(F)c(CSCc2ccc(OC(F)F)cc2)c1 517297336 CDGQJRLHMJAKAE-UHFFFAOYSA-N 323.339 4.732 30 20 DJED C=CCCO[C@H](C)C(=O)Nc1ccccc1SC1CCCC1 519102647 NANDOBQEJILFSC-CQSZACIVSA-N 319.470 4.641 30 20 DJED CC(C)c1ccc([C@@H](C)CC(=O)Nc2sccc2C#N)cc1 523102661 WRNHYPPJEFATFK-ZDUSSCGKSA-N 312.438 4.875 30 20 DJED C=CCCCCCN(C)C(=O)Nc1nc2c(s1)CCCCC2 524831733 ZATCMJNHLXSUKU-UHFFFAOYSA-N 321.490 4.622 30 20 DJED N#Cc1ccc(F)c(CN[C@@H](c2ccccc2)C2CCCC2)c1 533387081 ZNEFJFKCPMFBMA-FQEVSTJZSA-N 308.400 4.718 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc(Cl)cc1F)c1ccccc1 533881918 ZAOVIYDIVZMPGD-LBPRGKRZSA-N 303.764 4.778 30 20 DJED C=C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)c1ccccc1 536166207 SCVJRVQNGPXOPV-HNNXBMFYSA-N 313.828 4.658 30 20 DJED C[C@@H](N[C@H]1CC(C)(C)Oc2cc(F)ccc21)c1cccc(C#N)c1 538405830 GBHKTWZRDIBIIH-ACJLOTCBSA-N 324.399 4.650 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@@H]1C[C@@H]1c1ccccc1 538726888 CWUYSFBVLYNCGP-CBPXPLCBSA-N 316.448 4.562 30 20 DJED N#CCC1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 541920284 BVTIELLHHYQVPL-UHFFFAOYSA-N 314.429 4.680 30 20 DJED C[C@@H](Nc1ncccc1C#N)c1ccc(-c2cccc(C#N)c2)cc1 542039895 YTSBPHNQGCGSRB-OAHLLOKOSA-N 324.387 4.665 30 20 DJED CCc1ccc([C@H](NCc2ccc(CC#N)cc2)C(C)C)cc1 542281939 JJXWHGYAGBEFKV-OAQYLSRUSA-N 306.453 4.802 30 20 DJED C[C@H](NCc1cccc(C#N)c1F)c1ccc(C(F)(F)F)cc1 554955249 UQSVEKSJYYWEDZ-NSHDSACASA-N 322.305 4.567 30 20 DJED N#Cc1ccc2c(c1)[C@H](NCc1cc3ccccc3s1)CC2 559877848 OVAXRFUNXXZQOE-GOSISDBHSA-N 304.418 4.550 30 20 DJED CC[C@H](NC1(c2ccc(Cl)cc2)CC1)c1ccc(C#N)cc1 570896500 SPKDSZHXWKUXCJ-SFHVURJKSA-N 310.828 4.942 30 20 DJED N#C[C@@H]1CC[C@H](N[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)C1 576602167 XOAVVJHSYBXGSW-ZCPGHIKRSA-N 322.374 4.623 30 20 DJED Cc1csc(-c2ccc(NC(=O)CCCCCC#N)cc2)n1 588339220 CKVVBGSURIRZAM-UHFFFAOYSA-N 313.426 4.531 30 20 DJED CC(C)CN(C(=O)CCCCCC#N)c1ccccc1Cl 591008685 CDZXQLAFYSRMJV-UHFFFAOYSA-N 306.837 4.803 30 20 DJED CCCc1nc(CS[C@H](C)c2ccc(C#N)cc2)cs1 609825163 JEBAQDYFZPNCQY-GFCCVEGCSA-N 302.468 4.962 30 20 DJED CCCCCCCC(=O)N1Cc2cccc(Br)c2C1 713192146 IQYBCEVLBQYUHD-UHFFFAOYSA-N 324.262 4.652 30 20 DJED Cn1cc(C(=O)/C=C\c2cc3ccccc3o2)c2ccccc21 726740267 ANLGKWJKCFXJJM-KHPPLWFESA-N 301.345 4.821 30 20 DJED C#Cc1cccc(N(C(=O)c2csc3ccccc23)C(C)C)c1 728247885 UHMRJERXKUDKMJ-UHFFFAOYSA-N 319.429 4.938 30 20 DJED COc1ccc2[nH]cc(C=NNc3cccc4ccccc34)c2c1 730145456 AAUMFTFGOKSLFH-UHFFFAOYSA-N 315.376 4.776 30 20 DJED O=C(/C=C/C=C\c1ccccc1)c1c(Cl)nc2sccn12 741845564 YLUOYCNWSQXGQL-MVTUOISNSA-N 314.797 4.502 30 20 DJED N#CCC[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 749036497 WQMXRHYDWNJHID-HGZMWJMZSA-N 324.811 4.514 30 20 DJED CC(=NNc1nc(-c2cccc(F)c2)cs1)c1ccccc1 749263463 SXQXOOLNPWJSHU-UHFFFAOYSA-N 311.385 4.785 30 20 DJED CCc1ccc(C(=O)/C=C/c2coc(-c3ccccc3)n2)s1 749891944 PRVGBDQDIKHNLY-CSKARUKUSA-N 309.390 4.862 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)s2)s1 761478829 HSXHDGZCXGWIRV-DAFODLJHSA-N 313.325 4.596 30 20 DJED C[C@H](C#N)Oc1ccc(CN(C)C2CCCCCCC2)cc1 769224646 VWHPHPGLRYKKSX-MRXNPFEDSA-N 300.446 4.522 30 20 DJED C#CC[C@H](N[C@H](CC)c1cc(C)ccc1OC)c1ccccc1 773116316 QYTBVQLHPWXMMR-UXHICEINSA-N 307.437 4.809 30 20 DJED N#C[C@@H](OC(=O)c1cccc(Cl)c1Cl)C1CCCCC1 776360512 UREYZFHWPDRVKZ-CYBMUJFWSA-N 312.196 4.623 30 20 DJED CC(=NNc1cc(Cl)ccn1)c1cccc(-c2ccncc2)c1 777914118 XLVATHFWSLNJMV-UHFFFAOYSA-N 322.799 4.633 30 20 DJED CCCCCCCCS(=O)(=O)[C@H](C)c1ccc(F)cc1 790144342 ONKARTNQUGFOBX-CQSZACIVSA-N 300.439 4.662 30 20 DJED C=CCCCCC[C@H](C)N[C@H](C)c1cccc(NC(C)=O)c1 793516673 LOWAXHQDVGVBRN-JKSUJKDBSA-N 302.462 4.821 30 20 DJED N#CCC1(OC(=O)CCCc2csc3ccccc23)CCC1 810857504 SQHRNCWXWDOKHY-UHFFFAOYSA-N 313.422 4.604 30 20 DJED C#CC[C@H](NCc1ccsc1C(F)(F)F)c1ccccc1 862291293 MZJKLUJUVAVKFZ-AWEZNQCLSA-N 309.356 4.621 30 20 DJED CC(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3)c2C#N)C1 1129397967 LLKYVJNIDXECDB-AWEZNQCLSA-N 324.449 4.633 30 20 DJED COc1ccc([C@H](C)SCc2ccc(OCC#N)cc2)cc1 1165585540 OFGNNUKGBVHKNS-AWEZNQCLSA-N 313.422 4.592 30 20 DJED Cc1ccc([C@@H]2CCN(Cc3ccc(Cl)cc3C#N)C2)c(C)c1 1169979177 KMZUYBMYAIKYIV-QGZVFWFLSA-N 324.855 4.818 30 20 DJED C[C@H]1CN(c2cccc(F)c2C#N)CCc2ccc(Cl)cc21 1186913647 GWWSUVMTPUOWTH-LBPRGKRZSA-N 314.791 4.517 30 20 DJED CCCC[C@@H](CCC)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 1222971469 MJWMFSFBPUNBSL-CRAIPNDOSA-N 315.461 4.620 30 20 DJED Cc1oc(C#N)cc1C(=O)O[C@H](c1ccccc1)C1CCCCC1 1269394554 KADCODHBYWBEHW-LJQANCHMSA-N 323.392 4.938 30 20 DJED Cc1cc(Oc2cc(C(F)(F)F)ccc2Cl)c(C#N)cn1 1306912607 LGFSBRPZYNCKRS-UHFFFAOYSA-N 312.678 4.726 30 20 DJED C[C@@H]1CC[C@@H](C(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1C 1350252239 PCRDVZLQMDMUKW-JHJVBQTASA-N 316.470 4.509 30 20 DJED CC(C)N(CCC1(C#N)CCCCC1)Cc1ccccc1F 1459379325 PDAUUSFLXKNJRB-UHFFFAOYSA-N 302.437 4.900 30 20 DJED CCN(Cc1cc(-c2ccccc2C)ccc1OC)C[C@@H](C)C#N 1461967623 OYBCHLMXVQFAOO-INIZCTEOSA-N 322.452 4.652 30 20 DJED C[C@@H](CC(C)(C)C#N)NCc1ccc(Cl)c(C(F)(F)F)c1 1462476056 WAVUJIQCJNPWSW-JTQLQIEISA-N 318.770 4.777 30 20 DJED CC(C)[C@H](NCCc1ccc(C#N)cc1)c1ccc(Cl)cc1 1473478620 BTANVVDJMKDQBA-IBGZPJMESA-N 312.844 4.741 30 20 DJED CC(C)(C)[C@H]1CCCC[C@H]1CNc1snc(Cl)c1C#N 1559089373 KHCWQYUDGJBBGB-JQWIXIFHSA-N 311.882 4.933 30 20 DJED Cc1cc(F)ccc1CN(Cc1ccc(C#N)cc1)CC(C)C 1559506090 UQQXTZVUYMEITM-UHFFFAOYSA-N 310.416 4.664 30 20 DJED CCCc1cccc(CN(Cc2ccc(C#N)cc2)C(C)C)c1 1560639468 ZAMUUWVQRMDVGJ-UHFFFAOYSA-N 306.453 4.921 30 20 DJED C[C@@H]1CC(C)(C)c2cccc(NC(=O)Cc3cccc(C#N)c3)c21 1610978560 CCFPFMPDORISND-CQSZACIVSA-N 318.420 4.524 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1cccc(Cl)c1F 1652383771 VTUGGZCIRWTXSN-UHFFFAOYSA-N 316.807 4.761 30 20 DJED CC[C@@H]1CCCC[C@H]1Nc1nccc(Oc2cccc(C#N)c2)n1 1654957595 RLTJEPKKIGBHJK-NVXWUHKLSA-N 322.412 4.521 30 20 DJED N#Cc1ccc(NC(=O)NC2CCC3(CCCCC3)CC2)cc1 1665020739 LECDWZNUNVYLJC-UHFFFAOYSA-N 311.429 4.573 30 20 DJED C[C@H](CCNC(=O)Nc1ccc(C#N)c(Cl)c1)CC(C)(C)C 1672793798 IGNHWJFXDANIDM-GFCCVEGCSA-N 321.852 4.796 30 20 DJED CCCCCCC[C@H](CC(=O)O)NC/C=C\c1ccc(F)cc1 1776783275 LUFBBMSQRBXQRW-JTHGQSKGSA-N 321.436 4.632 30 20 DJED COc1ccc(/C=C/C(=O)c2cc(C)c(C)cc2C)cc1OC 8322678 KSSFHADGSUWJEN-SOFGYWHQSA-N 310.393 4.525 30 20 DJED C=CCOc1ccccc1CN[C@@H](C)c1cc(C)sc1C 35252942 APDLZVJZNWVQDD-AWEZNQCLSA-N 301.455 4.781 30 20 DJED N#Cc1cc(CNc2ccc(CCC(F)(F)F)cc2)ccc1F 124759271 AJFPRYFUWBLOEP-UHFFFAOYSA-N 322.305 4.804 30 20 DJED Cc1ccc(Br)c(N[C@@H](C)c2cccc(C#N)c2)c1 163826300 LZJHHEWLOJMADN-LBPRGKRZSA-N 315.214 4.802 30 20 DJED CCCCCCCC(=O)Nc1ccc(-c2nnc(CC)o2)cc1 175806490 GEOOTKMJLXCXNJ-UHFFFAOYSA-N 315.417 4.598 30 20 DJED CSc1ccc(C(=O)/C=C\c2ccc(O)c(Cl)c2)cc1 209252211 IEOIMIMGAKYMNQ-WAPJZHGLSA-N 304.798 4.664 30 20 DJED O=C(/C=C\c1cccnc1Cl)c1ccccc1C(F)(F)F 255300875 KKRPDRFVYRUERC-FPLPWBNLSA-N 311.690 4.650 30 20 DJED CC[C@H]1CC[C@H](/C(O)=N/[C@@H]2CCC(O)=N[C@H]2C(C)(C)C)CC1 329257220 DXLDPLURPFTUHK-IXYNUQLISA-N 308.466 4.693 30 20 DJED C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc(Cl)cn1 359620229 QOWDDLAVYOEJNS-CYBMUJFWSA-N 315.804 4.591 30 20 DJED CC[C@@H](N[C@H](C)c1cc(C)ccc1OC)c1ccc(C#N)cc1 414155435 NMPJQLJIEZPKDV-DNVCBOLYSA-N 308.425 4.677 30 20 DJED C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc(C2CC2)cc1 417353881 KEYYXYNYNJBTMX-ZIAGYGMSSA-N 308.400 4.987 30 20 DJED C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C 425555675 RCAHNTSFFLNEQQ-ZDUSSCGKSA-N 308.491 4.697 30 20 DJED Cc1c(N[C@@H](C)c2ccc(C#N)cc2)cccc1-c1ncco1 427447517 XVAWIUGPUWRPPS-AWEZNQCLSA-N 303.365 4.695 30 20 DJED CC(C)[C@H](CC(F)(F)F)NCc1ccccc1C(C)(C)C#N 445896928 LNPPEXMGNIAJNW-HNNXBMFYSA-N 312.379 4.554 30 20 DJED C=CC[C@@H](CC)NC(=O)N1CCC[C@H]1c1ccccc1Cl 466367655 XTDOASSVOJLNAK-CJNGLKHVSA-N 306.837 4.541 30 20 DJED C=CC[C@@H](C(=O)N[C@H](C)c1cc2ccccc2o1)c1ccccc1 468300204 JRBJNBNFNDTYHN-CRAIPNDOSA-N 319.404 4.970 30 20 DJED CN(Cc1ccc(C#N)c(F)c1)Cc1csc2ccccc12 483515762 WKNBCKAKRXAITG-UHFFFAOYSA-N 310.397 4.544 30 20 DJED CC(C)(C#N)c1ccccc1CN[C@@]1(C)CCCc2ccccc21 483830438 OIGLBHPAHJBMPD-QFIPXVFZSA-N 318.464 4.829 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(Oc2ccncc2)c(C)c1 487714308 KJIJFJYJPWNBBA-UHFFFAOYSA-N 322.408 4.889 30 20 DJED C=C(C)CN(CC)C(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 499196994 MPLIOLQFRJZGCS-MSOLQXFVSA-N 309.494 4.567 30 20 DJED CC[C@@]1(C)C[C@@H]1C(=O)N(Cc1ccccc1)c1ccccc1C#N 569288144 BBXKNMCCCFDQCU-NQIIRXRSSA-N 318.420 4.528 30 20 DJED C[C@@H](N[C@H](C#N)c1ccccc1)c1ccc(OCC2CC2)c(F)c1 595422401 XJUSVEQLCQIVIX-AUUYWEPGSA-N 324.399 4.530 30 20 DJED CCCN(C(=O)c1ccsc1C)c1cc(Cl)ccc1C#N 598808719 HTKGADWCMSUNGI-UHFFFAOYSA-N 318.829 4.638 30 20 DJED CC(C)(C#N)CCCSCc1ccn(-c2cccc(F)c2)n1 610797956 HZOOLCNKYUPFNH-UHFFFAOYSA-N 317.433 4.575 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1coc2ccccc12 611276610 MEYKUVCMQUDMTI-UXHICEINSA-N 316.404 4.705 30 20 DJED C=CCN(C(=O)CCc1ccc([C@@H]2C[C@H]2C)o1)c1ccccc1 641897362 QRFRZVNTOCUNRD-CRAIPNDOSA-N 309.409 4.555 30 20 DJED C=CCCC[C@@H](C)NC(=O)Nc1ccc(COC(C)(C)C)cc1 678892880 XHKOODDGOHOCRL-OAHLLOKOSA-N 318.461 4.868 30 20 DJED C=CCc1cc(OC)ccc1OC(=O)c1ccc(C(F)F)cc1 726498544 PDRHPIOOYPOQIN-UHFFFAOYSA-N 318.319 4.581 30 20 DJED C=C(Cl)CNC(=O)c1sc2cccc(Cl)c2c1Cl 736239448 YAZLCCKZFMREQV-UHFFFAOYSA-N 320.628 4.690 30 20 DJED COc1cc(C)ccc1C(=O)/C=C/c1cnc(C(C)(C)C)s1 736432898 KAKXKFSGCMIBLG-VQHVLOKHSA-N 315.438 4.654 30 20 DJED Cc1cc(O)c(C=NOCc2ccc(C(F)(F)F)cc2)cc1C 746575827 DEMXPORBEVVDPO-UHFFFAOYSA-N 323.314 4.579 30 20 DJED Cc1ccc(NC(=S)N[C@H](CCC#N)c2ccccc2)c(C)c1 747707726 BCMGDYNIPUVUBI-GOSISDBHSA-N 323.465 4.635 30 20 DJED CC(C)COc1ccc(C(=O)/C=C/c2cc(C#N)cs2)cc1 748440976 UFQDOUJIHMRKOI-BQYQJAHWSA-N 311.406 4.551 30 20 DJED O=C1/C(=C\c2ccc3ncccc3c2)Cc2ccc(Cl)cc21 762446517 JESLHLSICYUFGP-DHDCSXOGSA-N 305.764 4.711 30 20 DJED CC[C@H](C#N)Oc1cccc(CN[C@H](C)CCC=C(C)C)c1 772985226 UNHBDTWFDDASJY-SJLPKXTDSA-N 300.446 4.592 30 20 DJED C#CCCCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 773270751 JOJJTAVCYTVZAZ-UHFFFAOYSA-N 324.251 4.678 30 20 DJED Cc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)cc1OC(C)C 785536675 BPZSULUTHMOSJS-MRXNPFEDSA-N 324.424 4.685 30 20 DJED C#CCOc1ccc([C@@H](C)N[C@@H](C)c2cc3ccccc3o2)cc1 786576822 XFVQNFDYCYJWIE-CVEARBPZSA-N 319.404 4.857 30 20 DJED N#CCCCOC(=O)c1cc2sc3ccccc3c2s1 792081198 IASOOSSSAZEXOA-UHFFFAOYSA-N 301.392 4.577 30 20 DJED Cc1c([C@H](C)Nc2nc(Cl)c(C#N)s2)oc2ccccc12 804357239 AUSVBHFAEZIOJT-VIFPVBQESA-N 317.801 4.896 30 20 DJED CC(C)(C)c1cnc(/C=C/C(=O)c2ccc(C(F)F)nc2)s1 853009962 TYGJCAXAGKQRAI-VOTSOKGWSA-N 322.380 4.669 30 20 DJED COc1ccc(C(=O)/C=C/c2cc(C)c(C)cc2C)cc1OC 916137733 PNMKEHNXVLNREN-SOFGYWHQSA-N 310.393 4.525 30 20 DJED CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNc1ncc(C#N)cc1Cl 1162326000 FKRSEOUCTGHOAS-SNPRPXQTSA-N 305.853 4.727 30 20 DJED Cc1ccc(C#N)c(NCC2(c3ccccc3C)CCCCC2)n1 1162367359 VUEKFJTXLZQNKV-UHFFFAOYSA-N 319.452 4.884 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@H]1c1cccc(Cl)c1 1233082772 YQGGVPCRAQSHEL-IBGZPJMESA-N 310.828 4.857 30 20 DJED CC(C)[C@H]1CCCCCN1C(=O)C[C@H](CC#N)c1ccccc1 1266690704 BKECJUAQAKAEHZ-RBUKOAKNSA-N 312.457 4.501 30 20 DJED C[C@@H](OC(=O)C1(Cc2ccccc2)CCC1)c1cccc(C#N)c1 1355925764 FTIQFBKLRKPZSZ-MRXNPFEDSA-N 319.404 4.575 30 20 DJED Cc1ccc(C(=O)N[C@H]2CCC[C@@H](C(C)(C)C)CC2)cc1C#N 1516565714 SICCZQHQXIRGFL-MSOLQXFVSA-N 312.457 4.592 30 20 DJED N#CC1(C(=O)NC[C@@H]2CCCC[C@@H]2c2ccccc2)CCCCC1 1525817006 UHJMWBHFMFUISH-RBUKOAKNSA-N 324.468 4.551 30 20 DJED C[C@@H]1CC[C@H](C(=O)N(c2cccc(C#N)c2)C2CCC2)C[C@H]1C 1532439906 PXMIWFPOCGBDFE-INMHGKMJSA-N 310.441 4.516 30 20 DJED CC(C)CC[C@H]1CCCCN1C(=O)c1ccc(Cl)c(C#N)c1 1533754530 YKXWGQSRPHVSCI-MRXNPFEDSA-N 318.848 4.643 30 20 DJED C=C(CNC(=O)[C@@H](CCc1ccccc1)C(C)C)c1ccccc1 1535096221 ZYGJJVYYVBJPLU-NRFANRHFSA-N 321.464 4.721 30 20 DJED CCCCN(C(=O)c1cccc(C#N)c1C)[C@@H](C)c1ccccc1 1538893262 NUYLQDUXUXRDCN-KRWDZBQOSA-N 320.436 4.870 30 20 DJED C[C@H]1C[C@@H](C)Cc2c1sc(NC(=O)CCC1(C)CC1)c2C#N 1583694345 IYPPNEHUXCRVAB-NEPJUHHUSA-N 316.470 4.824 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)c1cccc(C(C)C)c1 1617905347 GMWPFYZOOQBQPG-UHFFFAOYSA-N 321.424 4.756 30 20 DJED C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3ccc(F)c(C#N)c3)c21 1626491374 NVHDNCKFJVBHLQ-GFCCVEGCSA-N 322.383 4.734 30 20 DJED CC(C)(C)C(C)(C)CNc1nccc(Oc2cccc(C#N)c2)n1 1639956883 MIFJCCNUDFGPGI-UHFFFAOYSA-N 324.428 4.625 30 20 DJED CC(C)[C@H](Nc1cccc(C#N)n1)c1ccc(C(F)(F)F)cc1 1642468451 JICNONFCSAQKAX-INIZCTEOSA-N 319.330 4.781 30 20 DJED N#Cc1cnc(N[C@H](CC2CCC2)c2ccccc2)c(Cl)c1 1642515903 IUQWREFVVXPJHH-QGZVFWFLSA-N 311.816 4.950 30 20 DJED Cc1ccc(C#N)c(N[C@H](c2ccccc2)C2CCCCC2)n1 1650629426 BZEXEYANYYCAMF-LJQANCHMSA-N 305.425 4.995 30 20 DJED C=C(Br)CN1CCC[C@H]1[C@@H](CC)c1ccccc1 1652582981 PZNLMDWKEOCBFI-HOTGVXAUSA-N 308.263 4.553 30 20 DJED CC(C)(C)C[C@@H]1CCN(Cc2ccc(C#N)cc2F)C1(C)C 1660010888 CMMYOAXBNAXWQB-INIZCTEOSA-N 302.437 4.734 30 20 DJED N#Cc1ccc(CN[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1Cl 1664435636 RDYODVKFQAFSGL-HLLBOEOZSA-N 302.849 4.660 30 20 DJED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 1672795037 WIZAKZNGUBFJAG-ABAIWWIYSA-N 319.836 4.548 30 20 DJED CC(C)(C)[C@H]1CCC[C@H]1NC(=O)Nc1ccc(C#N)cc1Cl 1675376847 IOMIPAMSZWKYBA-GXTWGEPZSA-N 319.836 4.548 30 20 DJED C[C@H](C=NNc1ccc(Cl)c(C(=O)O)c1)C1CCCCC1 1776033743 BCDHIOOZQHODMB-LLVKDONJSA-N 308.809 4.652 30 20 DJED CCCCc1ccc(C(=O)/C=C/c2ccc(CC(=O)O)cc2)cc1 1776805921 BYSBGFCWISVLMX-SDNWHVSQSA-N 322.404 4.552 30 20 DJED Cc1ccc(CCC(=O)Nc2ccc(C(C)(C)C#N)cc2)c(C)c1 29153238 OFRHQRKMYJOBNF-UHFFFAOYSA-N 320.436 4.676 30 20 DJED CCC[C@H](C(=O)[C@H](C#N)c1nc2ccccc2o1)c1ccccc1 41548221 FGKRIMHKIQXTNN-HOTGVXAUSA-N 318.376 4.588 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)CC1CCCCC1 66801864 ZAAPBBIPPJITDQ-AWEZNQCLSA-N 316.470 4.990 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)C[C@H](C)c2ccccc2)n1 80456356 RVAQEFFLLCCVPI-ZFWWWQNUSA-N 312.438 4.637 30 20 DJED C[C@@H](N[C@@H]1CCc2sc(Cl)cc21)c1ccc(C#N)cc1 123278819 XLEJQNCYCIATFT-QMTHXVAHSA-N 302.830 4.611 30 20 DJED O=C1/C(=C/c2cnc(C3CCC3)s2)Cc2c(F)cc(F)cc21 131191134 SXDITPSQUAEMCM-ONNFQVAWSA-N 317.360 4.511 30 20 DJED CC(C)CC1(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)CCC1 151098705 PGTQVZRBJDJRNZ-CYBMUJFWSA-N 304.459 4.659 30 20 DJED N#C[C@H]1CCC[C@H](N[C@H]2CCSc3ccc(Cl)cc32)C1 185805289 FBRGAZSEWFZLPB-WHOFXGATSA-N 306.862 4.549 30 20 DJED Cc1cc(C#N)ccc1CSCc1csc(C2CC2)n1 186085425 VQOLCFSTSBXQJA-UHFFFAOYSA-N 300.452 4.634 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)Nc1ccsc1Cl 189329071 MFJOZNREPPWCEK-UHFFFAOYSA-N 324.808 4.761 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)C(C)(C)C 265330303 WDTSGBXLJQAXJN-STQMWFEESA-N 304.459 4.559 30 20 DJED Cc1ccc([C@H]2CCCN2c2c(C#N)cnc3ccccc23)s1 301413224 ZIEZDYGGDSVDFP-QGZVFWFLSA-N 319.433 4.818 30 20 DJED CC(C)CC[C@H](Nc1ccc(C#N)nn1)c1ccc(Cl)cc1 301918275 JQFWAGMLIQQFJL-INIZCTEOSA-N 314.820 4.591 30 20 DJED C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(-c3ccccc3)cc2)C1 303613314 BZNROMXYYDXQNR-KKSFZXQISA-N 318.420 4.556 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1C[C@H](c2ccc(F)cc2)C[C@H]1C 303916088 VEZDINXVODKUML-ZRGWGRIASA-N 308.400 4.636 30 20 DJED CC[C@H]1OCCC[C@@H]1C(O)=Nc1ncc(-c2ccccc2)s1 330312431 OHTNLHFBFRMDJE-UONOGXRCSA-N 316.426 4.603 30 20 DJED Cc1nc(/C(O)=N/[C@H](c2ccccc2C)C(C)(C)C)c(C)o1 330511325 RFXNFWNIRKVCNP-MRXNPFEDSA-N 300.402 4.692 30 20 DJED CC(C)c1ccc(N=C(O)NC(C)(C)C(C)(C)O)c(C(C)C)c1 330877898 GUGBXRFDCPQIFC-UHFFFAOYSA-N 320.477 4.618 30 20 DJED C[C@H]1CCC[C@@H]1CC(=O)N(Cc1ccco1)c1ccccc1C#N 346935425 IJGJNABVWCVZPO-JKSUJKDBSA-N 322.408 4.511 30 20 DJED COCCCC[C@@H](NCc1ccc(C#N)c(C)c1)c1ccccc1 348330779 PVFOGTDXRLXEND-OAQYLSRUSA-N 322.452 4.514 30 20 DJED C=CCC[C@H](C)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 427850778 JGHRCRVMVQTGJU-KBPBESRZSA-N 309.837 4.522 30 20 DJED C=CCC[C@H](NC(=O)Nc1c(F)cccc1F)c1ccccc1 435657274 UHSNHSKOWLKBIK-INIZCTEOSA-N 316.351 4.794 30 20 DJED C=C(C)CN(CC)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 446858002 PTKIZAZJACRJAC-LLVKDONJSA-N 315.244 4.662 30 20 DJED N#C[C@H]1CCC[C@H](NCCSCc2cccc3ccccc23)C1 463290921 LUGVTNMZBMNGAQ-LPHOPBHVSA-N 324.493 4.745 30 20 DJED C=CCCN(C)C(=O)NC(c1cccc(C)c1)c1cccc(C)c1 466965852 RCAZIBIGVUPLQS-UHFFFAOYSA-N 322.452 4.610 30 20 DJED C=CCCC1(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 474406748 BZFCGTWCUZMHQM-UHFFFAOYSA-N 322.452 4.620 30 20 DJED Cc1cc(CN[C@H](C)c2ccccc2C(F)(F)F)ccc1C#N 488127179 OIUPCJIQQHWCLI-CYBMUJFWSA-N 318.342 4.736 30 20 DJED CC(C)(C)OC(=O)Nc1cccc(CSCC2(C#N)CC2)c1 494714399 ZYXJVVLOBRFENI-UHFFFAOYSA-N 318.442 4.571 30 20 DJED C=CCCC1(C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)CC1 500594340 DNJKNUGFLMVIIK-RTBURBONSA-N 307.437 4.580 30 20 DJED N#Cc1ccc(NCc2ccccc2Sc2ccccc2)nc1 501283142 OEGUPAACSOJDKE-UHFFFAOYSA-N 317.417 4.717 30 20 DJED N#CCCN(Cc1ccco1)Cc1ccccc1OC1CCCC1 505739513 ICULWNLRAUSWCD-UHFFFAOYSA-N 324.424 4.517 30 20 DJED CC(C)(CCC#N)CN1Cc2ccccc2[C@@H](c2ccccc2)C1 506327922 XFVGPNTVMOQUSV-OAQYLSRUSA-N 318.464 4.964 30 20 DJED CC(C)Oc1ccccc1CN(Cc1ccc(C#N)cc1)C(C)C 519908918 XONMSVCOYVDURD-UHFFFAOYSA-N 322.452 4.756 30 20 DJED C=CCOc1cccc(NC(=O)N2CCCC[C@H]2[C@@H](C)CC)c1 523420785 AJRSESUWDNOYEU-YJBOKZPZSA-N 316.445 4.684 30 20 DJED CCC(C#N)(CC)C(=O)Nc1ccc2nc(C(F)F)sc2c1 529390379 ZOIOAQDLZFMPLV-UHFFFAOYSA-N 323.368 4.502 30 20 DJED C=CCCC[C@@H](C)NC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 538368331 BTAFCOLHFQOIQW-CABCVRRESA-N 306.425 4.663 30 20 DJED C=CCC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 540146727 LETODLLGFBQWKT-HNAYVOBHSA-N 310.397 4.953 30 20 DJED CCC[C@@H](C)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542932255 QZVRELMJQLXEAL-HZPDHXFCSA-N 320.436 4.839 30 20 DJED CC[C@H](CC#N)N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 545872194 XBHHRJHUHAYABV-OWCLPIDISA-N 310.363 4.623 30 20 DJED C[C@@H](NCC(C)(C)CCC#N)c1ccccc1OC(F)(F)F 554367149 UCAYJVFCPLPDJK-GFCCVEGCSA-N 314.351 4.566 30 20 DJED N#C[C@H]1CC[C@@H](N2CCC(c3c(Cl)cccc3Cl)CC2)C1 555527703 MSRPZBJGASFXLV-GXTWGEPZSA-N 323.267 4.865 30 20 DJED C[C@H](N[C@@H](C)c1ccccc1Cl)c1ccc(C#N)c(F)c1 556255595 WFLJVZYRPYUPSP-RYUDHWBXSA-N 302.780 4.763 30 20 DJED Cc1csc(NC(=O)[C@H](C)CCCc2ccccc2)c1C#N 568558795 GBSDOQVDWVTKKX-CYBMUJFWSA-N 312.438 4.526 30 20 DJED CC[C@H](N[C@@H](C#N)c1ccccc1)c1ccccc1OC(F)F 595417849 ZCEOMNPWKJCOBL-HOTGVXAUSA-N 316.351 4.594 30 20 DJED Cc1cc(C#N)ccc1OCc1coc(-c2ccc(Cl)cc2)n1 608886287 DEQQNBLOPXRHEL-UHFFFAOYSA-N 324.767 4.754 30 20 DJED COc1ccc(CS[C@H](C#N)Cc2ccccc2)cc1Cl 616231603 KRCRRZMNIHUHMH-HNNXBMFYSA-N 317.841 4.717 30 20 DJED Cc1c([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)oc2ccccc12 618805666 OVCHKAZFVYZVHH-LIRRHRJNSA-N 316.404 4.951 30 20 DJED N#Cc1cccc(NC(=O)Nc2cccc(SC(F)F)c2)c1 727472721 GAIYDBHNVHFILF-UHFFFAOYSA-N 319.336 4.517 30 20 DJED Cc1cc(F)ccc1/C=C\C(=O)c1ccccc1OC(F)F 728694947 NVLWLKIWWBLZNG-CLFYSBASSA-N 306.283 4.632 30 20 DJED Cc1ccc(-c2n[nH]cc2/C=C/C(=O)c2sccc2C)cc1 733748717 HSAHSZUHJLLJBK-BQYQJAHWSA-N 308.406 4.651 30 20 DJED C=C(Cl)CNC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 736398075 UIQGKISMCLULJQ-MRXNPFEDSA-N 320.864 4.583 30 20 DJED COc1ccccc1/C=C/C(=O)c1cccc(-c2ccncc2)c1 741473137 MBUNATFBOOIDOS-MDZDMXLPSA-N 315.372 4.653 30 20 DJED CCN(C(=O)C1CCCCCCC1)[C@H](C)c1ccc(C#N)cc1 741533518 GZAOBBRTYVFCJO-MRXNPFEDSA-N 312.457 4.828 30 20 DJED CC1CCN(c2ccc(N[C@@H](C)c3ccc(C#N)cc3)cc2)CC1 743463462 XEAKHDZBSJLRDA-KRWDZBQOSA-N 319.452 4.968 30 20 DJED C=C(C)CCOC(=O)c1ccc(C2SCCCS2)cc1 744307100 QABNKQFSEFNEIJ-UHFFFAOYSA-N 308.468 4.678 30 20 DJED C#CCN(C(=O)N[C@H](CCC)c1ccccc1)C1CCCCC1 744818107 SFAKFBYAONBXQL-LJQANCHMSA-N 312.457 4.505 30 20 DJED O=C(/C=C/c1c(F)cccc1F)c1ccc(-c2ccncc2)cc1 745990175 MKUIQLXGADBQFU-CMDGGOBGSA-N 321.326 4.923 30 20 DJED C#Cc1cccc(N(C(=O)[C@@H]2C[C@@H]2c2sccc2C)C(C)C)c1 747886796 VXFYWHAXFJRYBU-ZWKOTPCHSA-N 323.461 4.583 30 20 DJED C[C@@H](NCc1ccc(F)cc1C#N)c1csc2ccccc12 754732807 AYYOKQREQZVINN-GFCCVEGCSA-N 310.397 4.763 30 20 DJED CCCCC[C@H]1CCCN1Cc1ccc(O[C@@H](C)C#N)cc1 770353009 YOXGTMLERYLJAG-WMZOPIPTSA-N 300.446 4.522 30 20 DJED O=C(/C=C/c1ccc(F)cc1C(F)(F)F)c1ccsc1 771858714 KCHZEJROLHRXTE-DUXPYHPUSA-N 300.276 4.802 30 20 DJED CC(=NOCCC(F)(F)F)c1cccc(Cl)c1Cl 777463030 WZWTUZJOAAXJAI-UHFFFAOYSA-N 300.107 4.686 30 20 DJED O=C(/C=C/c1cc(Cl)cc(C(F)(F)F)c1)c1cscn1 780185841 AUAPVRDMCSKFAB-OWOJBTEDSA-N 317.719 4.711 30 20 DJED CCSc1cccc(/C=C\C(=O)c2cnn(C(C)C)c2C)c1 787186796 JGXQLOMWEJVFAH-KTKRTIGZSA-N 314.454 4.781 30 20 DJED CCc1cccc(Cl)c1C=NNc1cc(F)c(F)c(F)c1 788716174 QCQLHOJCELAIHQ-UHFFFAOYSA-N 312.722 4.766 30 20 DJED CCCCCCCCNC(=O)Nc1cnn([C@@H](C)CC)c1C 792478713 QJCILAIVWVASOS-AWEZNQCLSA-N 308.470 4.645 30 20 DJED O=C(/C=C\c1ccc(C(F)F)cc1)c1cc(F)cc(F)c1O 794941517 QHIAOFWKYMZNBJ-UTCJRWHESA-N 310.246 4.504 30 20 DJED Cc1ccc(OC(=O)C[C@H](CC#N)c2ccccc2)c(Cl)c1 796706643 CZQQOOFUUWRTEO-HNNXBMFYSA-N 313.784 4.641 30 20 DJED CC(=C/c1ccccc1C(F)(F)F)/C=C/C(=O)c1cccnc1 799889691 RLUHLGLFXZTAQO-PBEXPTJQSA-N 317.310 4.943 30 20 DJED N#Cc1sc(N[C@H]2CC[C@@H](c3cccc(F)c3)C2)nc1Cl 804681293 IKDXYRCPIMHIGV-PWSUYJOCSA-N 321.808 4.555 30 20 DJED C=C(C)C(C)(C)c1nc(-c2ccc(Oc3ccccc3)nc2)no1 904447156 JJIHMIYSATWVIA-UHFFFAOYSA-N 321.380 4.778 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc(-c3ccccc3)o2)c(F)c1 917516028 ICMKTCNIZVFUFP-FLIBITNWSA-N 322.335 4.990 30 20 DJED O=C(/C=C1/COc2ccc(F)cc21)c1cccc(C(F)(F)F)c1 918154092 CPJKZDWPIIJIII-XFFZJAGNSA-N 322.257 4.503 30 20 DJED Cc1c(C(=O)/C=C\c2c[nH]nc2C(C)(C)C)oc2ccccc12 920066180 USAZNJWKFCGDJG-KTKRTIGZSA-N 308.381 4.658 30 20 DJED CC(C)[C@@H](CC1CCCCC1)C(=O)[C@@H](C#N)c1cccc(F)n1 1122714532 LUTNWMQEDZEQGC-CVEARBPZSA-N 316.420 4.640 30 20 DJED CC(C)[C@H](c1ccccc1)N(C(=O)c1cccc(C#N)c1)C(C)C 1131097888 BJCUZAPSZZSXHN-HXUWFJFHSA-N 320.436 4.806 30 20 DJED CCn1c2ccccc2c2cc(CN[C@@H]3CC[C@H](C#N)C3)ccc21 1178998812 SURTWWRDAGVLEP-DOTOQJQBSA-N 317.436 4.596 30 20 DJED CC1(C)CC[C@@H](CNc2c(C#N)cccc2C#N)c2ccccc21 1185820140 ZTAJJYCKYIMZCE-KRWDZBQOSA-N 315.420 4.697 30 20 DJED CCN(Cc1c(OC(C)C)ccc2ccccc12)C[C@@H](C)C#N 1190643866 PEFXXIYGPODFHI-INIZCTEOSA-N 310.441 4.609 30 20 DJED C[C@H](CCC#N)CNc1ccc(F)c(NC(=O)OC(C)(C)C)c1 1330620617 FYRQVOXPRRKONK-GFCCVEGCSA-N 321.396 4.524 30 20 DJED Clc1cncc(NN=CC2CCC(c3ccccc3)CC2)n1 1344549560 PXRBIGKIFYNECJ-UHFFFAOYSA-N 314.820 4.502 30 20 DJED CCC[C@](C)(CC)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 1352922112 KNPSVOIWHOXQKR-FQEVSTJZSA-N 314.473 4.759 30 20 DJED C[C@H]1CC[C@@](C)(C(=O)Nc2ccc(Cl)c(C#N)c2)C1(C)C 1356441076 ICOGECJVCKRUOY-GTNSWQLSSA-N 304.821 4.613 30 20 DJED C[C@H](CC(C)(C)C#N)NCc1ccc(Cl)c(C(F)(F)F)c1 1462476062 WAVUJIQCJNPWSW-SNVBAGLBSA-N 318.770 4.777 30 20 DJED CC(C)(C)c1cc(NCc2ccc(C#N)cc2)nc(C(C)(C)C)n1 1472699441 UIOBHLLCOWURBB-UHFFFAOYSA-N 322.456 4.555 30 20 DJED CCC[C@H](CC1CCCC1)C(=O)OCc1ccc(CC#N)cc1 1520148323 FVTGAFOATVZYIH-LJQANCHMSA-N 313.441 4.792 30 20 DJED CC1(C)CCC(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 1532859920 TVTBFLHCNDCCJD-UHFFFAOYSA-N 324.346 4.732 30 20 DJED Cc1cc(NC(=O)c2ccc(Cl)c(C#N)c2)cc(C)c1Cl 1539604698 KFBBFHIKASZNOR-UHFFFAOYSA-N 319.191 4.734 30 20 DJED N#Cc1nc(NC[C@H]2CCC[C@H]2c2ccccc2)ccc1Cl 1559198963 MWNUBUUQXDFXHT-CABCVRRESA-N 311.816 4.602 30 20 DJED CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1cc(C)cc(C#N)c1 1562939720 RYDGKGTZKKIUOO-MRXNPFEDSA-N 321.424 4.699 30 20 DJED Cc1cccc(C(Nc2ncccc2C#N)c2cccc(C)c2)c1 1612084492 OKVARDIEPHKBHI-UHFFFAOYSA-N 313.404 4.772 30 20 DJED CCN(Cc1ccc(Cl)cc1C#N)c1ccc(F)c(F)c1 1616255836 HSLCPCVFZOFFMH-UHFFFAOYSA-N 306.743 4.516 30 20 DJED N#Cc1ccc(CCN2CCc3c(-c4ccccc4)cccc32)cc1 1616989983 YGRCKGHFBPTYPR-UHFFFAOYSA-N 324.427 4.830 30 20 DJED Cc1ccc(CC(C)(C)NCc2ccc(Cl)cc2C#N)cc1 1618653429 OEEKOWDNXJILAL-UHFFFAOYSA-N 312.844 4.631 30 20 DJED COc1ccc(C#N)cc1CN1CCC[C@@H]1CC1CCCCC1 1644456656 LVLOKERMZJMHCN-LJQANCHMSA-N 312.457 4.502 30 20 DJED Cc1ccc(CSc2nc3c(c(C)c2C#N)CCC3)cc1C 1652517082 ZCMSVUPWMDVSNU-UHFFFAOYSA-N 308.450 4.660 30 20 DJED CCCC[C@H](CC)COc1c(C#N)cnc2ccc(OC)cc12 1656691526 MWNNHVLQDSFGQV-AWEZNQCLSA-N 312.413 4.710 30 20 DJED O=[N+]([O-])c1cccc(NN=C2CCC(c3ccccc3)CC2)c1 7950266 QTZDLEDGOKYWBE-UHFFFAOYSA-N 309.369 4.721 30 20 DJED C=CCn1c(SCc2cc(C#N)ccc2F)nc2ccccc21 12046244 ZBBZRVNANYXBCI-UHFFFAOYSA-N 323.396 4.525 30 20 DJED N#Cc1ccc(CNC(c2cccs2)c2cccs2)cc1 37748471 RTXGGIKDUARJNI-UHFFFAOYSA-N 310.447 4.560 30 20 DJED N#CCSCCCSc1nc(-c2ccccc2)cs1 75075657 ZSZIGMFBASOSAK-UHFFFAOYSA-N 306.481 4.549 30 20 DJED CC[C@@H](C(=O)[C@@H](C#N)c1nc(C(C)C)cs1)c1ccccc1 80459269 WPDPBLWAGCXBJM-HUUCEWRRSA-N 312.438 4.637 30 20 DJED C[C@@H](C#N)Oc1ccccc1NC1CCC(C(F)(F)F)CC1 124048081 NQUYTQVOAKJIQI-HIFPTAJRSA-N 312.335 4.510 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCc1ccc(Cl)nc1 178391644 WOFNZNNLZLPHFD-LBPRGKRZSA-N 317.845 4.741 30 20 DJED C=C(C)[C@H](NC(=O)Nc1ccccc1C)c1ccc(F)c(F)c1 185506588 FIYCHOBPXZGZOH-KRWDZBQOSA-N 316.351 4.712 30 20 DJED N#CCCCOc1cccc(N[C@@H]2CCCc3c(O)cccc32)c1 291322821 UXFBDRVBVVVJQU-LJQANCHMSA-N 322.408 4.564 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@H]2Nc1snc(Cl)c1C#N 301932791 PSWAZQPCAVTASO-LLVKDONJSA-N 321.833 4.695 30 20 DJED C[C@H](/N=C(/O)C1CCCC1)/C(O)=N/[C@H](c1cccs1)C1CC1 328767049 BAHXYDFKKMXFKL-NHYWBVRUSA-N 320.458 4.691 30 20 DJED C[C@@H]1CCC[C@@](C#N)(/N=C(/O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 330158500 ZUNGQEXYPGQIIA-DSZLRUIBSA-N 322.861 4.934 30 20 DJED C[C@@H](Sc1ccccc1C#N)c1nnc(-c2cccs2)o1 357494429 XZICRGDNBDVUET-SNVBAGLBSA-N 313.407 4.523 30 20 DJED C=CCOc1ccc(CNc2ccsc2Cl)cc1OC 438346755 QIUWRBYXVUVYSR-UHFFFAOYSA-N 309.818 4.587 30 20 DJED N#CC[C@H](CC(=O)Nc1ccc(Cl)cc1F)c1ccccc1 474091212 WULONEKIHNWSJZ-CYBMUJFWSA-N 316.763 4.505 30 20 DJED C=CCCC1(C(=O)Nc2ccc(Oc3ccncc3)c(C)c2)CC1 477119998 KRYLKZGWOSNLMA-UHFFFAOYSA-N 322.408 4.867 30 20 DJED COc1cccc([C@H](C)N[C@@H]2CCCCc3cc(C#N)ccc32)c1 481922513 PEOWVEBINYXVKP-YCRPNKLZSA-N 320.436 4.685 30 20 DJED C=CCSc1ccccc1C(=O)Nc1scnc1C1CC1 486422074 YORDZWZOVKRUKE-UHFFFAOYSA-N 316.451 4.551 30 20 DJED CCC(CC)[C@@H](NC(=O)c1sccc1C#N)c1ccccc1 497994126 OYMDRGRYBTUDKT-MRXNPFEDSA-N 312.438 4.527 30 20 DJED C=CCN(CC=C)C(=O)N[C@H](CC(C)(C)C)c1ccccc1 503336052 JJOOFKJTRSONNC-QGZVFWFLSA-N 300.446 4.548 30 20 DJED C=CC[C@H](C)NC(=O)Nc1cc(Cl)ccc1SC(C)C 522655532 PIRBHKGTPKFPHE-NSHDSACASA-N 312.866 4.927 30 20 DJED C=CCCCCCN(C)C(=O)c1ccc(-c2ccccc2F)o1 523513338 ZDXVSNWPFIOAEP-UHFFFAOYSA-N 315.388 4.904 30 20 DJED CC[C@@H](NCCSCc1ccccc1C#N)c1cccs1 536863195 MHGYHQMNNUNFQD-MRXNPFEDSA-N 316.495 4.594 30 20 DJED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cccc(OCCCC#N)c1 537635953 DFJCRLKNWSIQTD-KPFFTGBYSA-N 312.457 4.522 30 20 DJED Cc1nc(-c2ccc([C@H](C)NCCC(C)(C)C#N)cc2)cs1 538512196 GNUKWZAXDRWJSV-ZDUSSCGKSA-N 313.470 4.709 30 20 DJED C=CCC(CC=C)C(=O)N1CC=C(c2ccc(CC)cc2)CC1 538991649 DRSCBHAOPNMOGB-UHFFFAOYSA-N 309.453 4.633 30 20 DJED C=CCCC1(C(=O)NCCCCc2ccc(Cl)s2)CC1 551339049 XKKHJEMSAZPAPB-UHFFFAOYSA-N 311.878 4.587 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc2ccccc2c1 561138629 SKMZHBWHPWIZCL-QFIPXVFZSA-N 312.416 4.879 30 20 DJED Cc1cccc([C@H]2CCCCCN2C(=O)CCCCCC#N)c1 588756999 MDOASLWTSPNXQN-LJQANCHMSA-N 312.457 4.913 30 20 DJED C[C@@H](Nc1cccc(C#N)c1Br)c1ccccc1F 600857163 KGAJRQJGQSWMGJ-SNVBAGLBSA-N 319.177 4.633 30 20 DJED CCCC[C@@H](CC)CC(=O)Nc1cc(C#N)ccc1OC(F)F 609754938 QIHJCQGDPJVSKK-GFCCVEGCSA-N 324.371 4.705 30 20 DJED CC(C)(C#N)CNCc1ccc(-c2ccc(Cl)c(Cl)c2)o1 612585681 OYDDOHGIRVJLBD-UHFFFAOYSA-N 323.223 4.893 30 20 DJED CC(C)(C#N)CCCCN1CCC(OCC2CCCCC2)CC1 618283369 XXPJCTQLESTQRJ-UHFFFAOYSA-N 320.521 4.768 30 20 DJED C=CCN(C(=O)c1ccc(-c2ccc(F)cc2)cc1F)C(C)C 729947050 UGFOPZCWFGZYAU-UHFFFAOYSA-N 315.363 4.668 30 20 DJED Cc1ccc(F)c(/C=C/C(=O)c2cnn(-c3ccccc3)c2C)c1 734981934 ZPGLNFQCGXLOML-PKNBQFBNSA-N 320.367 4.524 30 20 DJED C[C@H](/N=C\c1cccc(O)c1O)c1cccc(Cl)c1Cl 735415630 YBCQFHDMVMDLIA-QNNPZSRPSA-N 310.180 4.585 30 20 DJED C=CCCCOC(=O)c1ccc(C2SCCCS2)cc1 735528331 QEAGDHJMEDMCPP-UHFFFAOYSA-N 308.468 4.678 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1)c1ccc(SC(F)F)cc1 749287104 AUZUFVLLGLAITH-GFCCVEGCSA-N 318.392 4.724 30 20 DJED CC(=NNc1ccccn1)c1ccc(Cl)c(C(F)(F)F)c1 754701291 RSCIKBQHVVNYRR-UHFFFAOYSA-N 313.710 4.590 30 20 DJED CC(=NNc1oc(C(C)C)nc1C#N)c1cc2ccc(C)cc2o1 754941482 HONTUKGSRBFROX-UHFFFAOYSA-N 322.368 4.560 30 20 DJED C#CCCCNc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 766726901 CSNNTBVFAWHVMF-UHFFFAOYSA-N 320.314 4.718 30 20 DJED Cc1c(C(=O)/C=C\c2cscc2Cl)cccc1[N+](=O)[O-] 771862516 YZQNCCTVYWTMDT-WAYWQWQTSA-N 307.758 4.514 30 20 DJED C#CCCCCC(=O)Nc1ccc(Oc2ccccc2OC)cc1 773206162 VGMQDSBGWLWNMF-UHFFFAOYSA-N 323.392 4.620 30 20 DJED CC(C)(CCC#N)COC(=O)c1cc2cccc(Cl)c2o1 798879734 YLIXODZSMPJLIW-UHFFFAOYSA-N 305.761 4.573 30 20 DJED N#Cc1c(F)cccc1/C=C/C(=O)c1ccc(C(F)(F)F)cc1 811687775 JSQNLRCCXGWENV-RMKNXTFCSA-N 319.257 4.612 30 20 DJED O=C(/C=C/c1cscc1C(F)(F)F)c1ccc2c(c1)COC2 811691477 NGPIWOUWFPOELZ-ONEGZZNKSA-N 324.323 4.693 30 20 DJED Cc1ccccc1[C@@H](C)CC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842942096 NBIJTWSMGBZOGS-BBRMVZONSA-N 324.449 4.699 30 20 DJED Cc1cc(/C=C2\Cc3ccccc3C2=O)cc(C)c1OC(F)F 916137175 QWNRUAUZIPIUMQ-OQLLNIDSSA-N 314.331 4.727 30 20 DJED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 1115842805 NTVMREZITMUJFG-OXQOHEQNSA-N 316.404 4.637 30 20 DJED N#CC1(CCN(CC2CCC2)CC(F)(F)F)CCCCC1 1167522062 QQOZWCZNVPTRCD-UHFFFAOYSA-N 302.384 4.515 30 20 DJED COc1ccc(C#N)cc1CN[C@@H](CC(C)C)c1ccccc1C 1168723986 PUUQTXKMDAOXFD-FQEVSTJZSA-N 322.452 4.752 30 20 DJED CCC1CCC(CNC(=O)Nc2ccc(C#N)cc2Cl)CC1 1201922934 VULAHQDYOJHYKJ-UHFFFAOYSA-N 319.836 4.550 30 20 DJED Cc1c(CNCC2(C#N)CCC2)sc2c(Cl)cccc12 1204011748 INURFWHNMVAZON-UHFFFAOYSA-N 304.846 4.647 30 20 DJED Cc1ccc(C(=O)Nc2cccc(-c3cccs3)c2)cc1C#N 1360081635 OTBDNRBSOUZWCP-UHFFFAOYSA-N 318.401 4.848 30 20 DJED CC(C)CCOc1ccc(Nc2nc(C#N)c(Cl)s2)cc1 1458204970 OSACONZXECPKLW-UHFFFAOYSA-N 321.833 4.837 30 20 DJED N#Cc1cnc(N[C@@H](c2ccc(F)cc2)C2CCCC2)c(F)c1 1472684891 IGWRRJJXXONUFI-QGZVFWFLSA-N 313.351 4.575 30 20 DJED N#Cc1ccc(CN(Cc2cccc(F)c2Cl)C2CC2)cc1 1473304294 LTJQGOHOROSULT-UHFFFAOYSA-N 314.791 4.515 30 20 DJED CC1(CCC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 1521141851 CVIMCLDOEFJVIP-UHFFFAOYSA-N 320.392 4.869 30 20 DJED Cc1ccccc1N(C)C(=O)c1sc2ccc(C#N)cc2c1C 1529715103 KUPJPXCVNLWVEF-UHFFFAOYSA-N 320.417 4.666 30 20 DJED C[C@H](c1ccccc1)c1ccc(Oc2ccnc(C#N)c2)cc1 1559100167 GDWSLIYIXFYFAP-OAHLLOKOSA-N 300.361 4.897 30 20 DJED CC(C)[C@H](c1ccccc1)N(C(=O)c1ccc(C#N)cc1)C(C)C 1617952693 DBDNOFANQKCGJO-HXUWFJFHSA-N 320.436 4.806 30 20 DJED CCc1ccc([C@H](NCc2cccc(C#N)c2F)C(C)C)cc1 1644881239 KXEYUKMWFORMHJ-HXUWFJFHSA-N 310.416 4.747 30 20 DJED N#Cc1cccc(Oc2ccnc(SC3CCCCC3)n2)c1 1649218316 JTLHZLLEQYFUOT-UHFFFAOYSA-N 311.410 4.565 30 20 DJED CCC(C)(C)C(=O)CSc1nc(-c2ccccc2)ccc1C#N 1651813201 SUSJOCUWSOKUTN-UHFFFAOYSA-N 324.449 4.718 30 20 DJED C[C@H](CN(C)[C@@H](C)c1cccc(C#N)c1)c1cc(F)cc(F)c1 1652707824 QCYFAFYZVRYMJS-KGLIPLIRSA-N 314.379 4.633 30 20 DJED CC[C@H](CCc1ccccc1)NC1CC(C#N)(c2ccccc2)C1 1659660601 NWPUSDFBGWAZCR-ITAUSPCMSA-N 318.464 4.611 30 20 DJED C[C@]1(CN(Cc2ccc(C#N)cc2)C2CC2)C[C@@H]1c1ccccc1 1664008871 VJMXELKCQMDTQL-FGZHOGPDSA-N 316.448 4.716 30 20 DJED C=C(CNC(=O)N(C)C[C@H](C)C1CCCCC1)c1ccccc1 1682945372 JMUIMQNWYIDPEO-KRWDZBQOSA-N 314.473 4.558 30 20 DJED CC(C)(C)C1CCC(=NNc2ccc(C(=O)O)c(F)c2)CC1 1776073222 KBQGBGDFBRACOY-UHFFFAOYSA-N 306.381 4.528 30 20 DJED C=CCCCCCCNc1nc2ccccc2c(C)c1C(=O)O 1776173436 APHNZGUINPFERA-UHFFFAOYSA-N 312.413 4.790 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCC(C)(C)C(F)(F)CC 1776782414 WUMQXZDSJYQSHB-CQSZACIVSA-N 321.452 4.851 30 20 DJED C#Cc1ccc(-n2c3ccc(C#C)cc3c3cc(C#C)ccc32)cc1 2332240506 SDWJQDOJOZUTGO-UHFFFAOYSA-N 315.375 4.728 30 20 DJED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccs3)n2)cc1 46442897 LGEQYHQSQJFFLU-CYBMUJFWSA-N 324.430 4.670 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1ccccc1C 58451944 DTLSBPIPMHZNKN-LJQANCHMSA-N 319.408 4.544 30 20 DJED Cc1c([C@@H](C)N[C@H](CCC#N)c2ccccc2)cccc1[N+](=O)[O-] 90664993 ZJZSOHXQBGZODH-CRAIPNDOSA-N 323.396 4.599 30 20 DJED Cc1ccc([C@H]2CCCCCN2C(=O)Nc2cccc(C#N)c2)o1 121587472 AOPHZWSYOHHHIF-QGZVFWFLSA-N 323.396 4.609 30 20 DJED C[C@H](N[C@@H](C)c1ccccc1C(F)(F)F)c1ccc(C#N)cc1 121840048 SASYDKQTCLPVFI-STQMWFEESA-N 318.342 4.989 30 20 DJED CCC(CC)CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 151698981 IFPHYTDVBWTHIS-OAHLLOKOSA-N 312.438 4.813 30 20 DJED C[C@@H](N[C@H](C)c1cccc(N2CCCC2)c1)c1cccc(C#N)c1 181886230 UMQJNMCKKDZVGQ-IAGOWNOFSA-N 319.452 4.570 30 20 DJED C[C@@H](Nc1ccc(N2C[C@@H]3CC[C@@H]2C3)cc1)c1cccc(C#N)c1 191711227 JNUSSCVTIKHSKD-QLVMHMETSA-N 317.436 4.720 30 20 DJED Cc1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)s1 264499755 GBVYDUMSHMTDRV-NSHDSACASA-N 316.451 4.561 30 20 DJED CC[C@](C)(C#N)C(=O)Nc1ccc(SC(C)(C)C)cc1C 288365094 JAJJZZPFSYSPFD-QGZVFWFLSA-N 304.459 4.764 30 20 DJED CC(C)[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 318430454 WFXZQHVRLALGQZ-SFHVURJKSA-N 316.807 4.838 30 20 DJED Cc1nc(C2(/N=C(/O)[C@H]3CCCC(C)(C)C3)CCCCC2)no1 328792713 RNGOSEIZHASJRD-AWEZNQCLSA-N 319.449 4.710 30 20 DJED CC(C)c1ccoc1/C(O)=N/C[C@@H]1CCCO[C@H]1C(C)(C)C 330478017 JZQOANSTLAPDTK-XJKSGUPXSA-N 307.434 4.549 30 20 DJED N#CCC[C@@H](NC/C=C/c1ccc(F)c(F)c1)c1ccccc1 352761330 WBULVNHJYBDCPG-ZMBJWTFHSA-N 312.363 4.613 30 20 DJED COc1cc(CN[C@@H](CC2CCC2)c2ccccc2)ccc1C#N 353623213 OIJJEKNXYAFWMG-FQEVSTJZSA-N 320.436 4.588 30 20 DJED N#Cc1ccc(NC(=O)c2ccc(F)c3ccccc23)c(Cl)c1 391131813 MQPAPNYRYXYORF-UHFFFAOYSA-N 324.742 4.756 30 20 DJED C[C@@H](Nc1ccc(C#N)nc1)c1cc(F)c(Cl)cc1Cl 426593554 OXUYDLXYTBUDHE-MRVPVSSYSA-N 310.159 4.572 30 20 DJED N#Cc1ccc(CN2CCC[C@H]2c2ccsc2)c(Cl)c1 439442926 SMWLNZRHISFLGV-INIZCTEOSA-N 302.830 4.610 30 20 DJED C=CCCCC[C@H](C)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 449240022 XQFZQYBLOQCPQE-ZYSHUDEJSA-N 305.437 4.770 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)C(C)(F)F 455245267 LFFHNRGLWACMEB-LBPRGKRZSA-N 310.388 4.704 30 20 DJED N#Cc1cc(Cl)ccc1CSc1ncnc2ccsc12 479230986 WOJURPIQLQUREQ-UHFFFAOYSA-N 317.826 4.509 30 20 DJED Cc1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cc1F 481914834 UKSYTKXYWVXDMJ-HXUWFJFHSA-N 308.400 4.563 30 20 DJED CCSc1cccc(/C=C/c2nc3ccccc3n2CC#N)c1 486079989 YPFSAMLCYKNFIS-ZHACJKMWSA-N 319.433 4.842 30 20 DJED C=CCN(Cc1cccs1)C(=O)C/C=C\c1ccccc1F 495209767 ITDZNGQEHHVJKM-YVMONPNESA-N 315.413 4.505 30 20 DJED Cc1ccccc1[C@H](c1noc(C2(C#N)CCCC2)n1)C(C)C 564289662 BKBPIVFOGHQWQN-MRXNPFEDSA-N 309.413 4.501 30 20 DJED C=CCN(CC1CCCCC1)[C@@H](C(=O)O)c1cccc(Cl)c1 570521670 HMXSFSUQEMNECM-QGZVFWFLSA-N 321.848 4.534 30 20 DJED C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc2c(c1)CCCC2 574946505 KJTDPUSTNXLSAG-NYHFZMIOSA-N 316.448 4.775 30 20 DJED CC(C)C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 579651838 IBERKTDXHQDQNZ-RTWAWAEBSA-N 304.437 4.923 30 20 DJED C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC(CCC#N)CC1 592136068 AGKUDOLCAIDBPT-ZDUSSCGKSA-N 310.363 4.782 30 20 DJED CCC(C)(C)c1ccc(NC(=O)N2CCC[C@@H](CC#N)C2)cc1 596880934 MDOFVKZTZVKNPK-HNNXBMFYSA-N 313.445 4.532 30 20 DJED Cc1ccc(C(=O)/C=C\c2c[nH]nc2-c2cccc(C)c2)cc1 728785404 FQQCSRPZTSIZFY-KHPPLWFESA-N 302.377 4.590 30 20 DJED C=CCCOC(=O)c1sc(-c2ccc(Cl)s2)nc1C 729072490 OIAGLWFAFAQOKP-UHFFFAOYSA-N 313.831 4.566 30 20 DJED CC(C)[C@H](C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 733095682 LWDNMNIOVVLGAO-KXBFYZLASA-N 306.409 4.573 30 20 DJED O=C(/C=C/c1ccccc1Cl)c1c(Cl)nc2ccccn12 737450585 SRITYWHBEMDYSY-CMDGGOBGSA-N 317.175 4.537 30 20 DJED O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc2c(c1)COC2 742435834 AUVAUHLDMWGIJE-GQCTYLIASA-N 319.187 4.920 30 20 DJED CC(=NNc1nc(-c2ccccc2)c(C)s1)c1ccccc1 749261752 JGIYDDIAVKHADI-UHFFFAOYSA-N 307.422 4.955 30 20 DJED CC(=C/c1ccccc1)/C=C/C(=O)c1cc(F)ccc1[N+](=O)[O-] 752874780 MMSLICGRZXUYFG-LFZMHEMLSA-N 311.312 4.576 30 20 DJED C/C(=C\c1cccc(Cl)c1)C(=O)N(CCC#N)CC(C)(C)C 759013334 FIPJOMIMSOTGEU-SDNWHVSQSA-N 318.848 4.532 30 20 DJED C=CCCCCNC(=S)Nc1c(Cl)ccc(C)c1Cl 769761300 WLLGLDGERYLTOD-UHFFFAOYSA-N 317.285 4.945 30 20 DJED C#CCCCCC(=O)Nc1ccc2nc(C(C)C)sc2c1 773285507 KSZXSQOQVZYZID-UHFFFAOYSA-N 300.427 4.552 30 20 DJED C#CCCCCC(=O)N(Cc1ccccc1)Cc1ccccc1C 773290678 ACLYRFZYPCVHNT-UHFFFAOYSA-N 319.448 4.717 30 20 DJED CC1(C)CCC[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 773982884 SRKNCROLJOCIEI-CABCVRRESA-N 324.449 4.813 30 20 DJED CC[C@H](N[C@H](CC)c1ccc(C#N)cc1)c1ccccc1OC 774124269 VEUZSHPXKNBISO-MOPGFXCFSA-N 308.425 4.759 30 20 DJED N#Cc1sc(Sc2ccc(F)c(Cl)c2)nc1Cl 804328996 RNPFGPCLJQBEFD-UHFFFAOYSA-N 305.186 4.612 30 20 DJED Cc1cccc2cc(C(=O)OCC(C)(C)CCC#N)sc12 809007959 JUYUPLVGCZFYRM-UHFFFAOYSA-N 301.411 4.697 30 20 DJED C#Cc1ccc(CN[C@@H](Cc2ccccc2)c2cccs2)cc1 809617870 CDQSOZDKNZVWJB-FQEVSTJZSA-N 317.457 4.803 30 20 DJED COc1cc(Cl)c(/C=C\C(=O)c2ccc(C)cc2)cc1OC 864011157 UFMGNGYZUZOCQE-HJWRWDBZSA-N 316.784 4.562 30 20 DJED COc1ccc(/C=C/C(=O)c2cccs2)cc1OCC(C)C 916136981 CXBWROGJBCJUEE-SOFGYWHQSA-N 316.422 4.688 30 20 DJED C=C[C@@H](CC)CC(=O)Nc1ccccc1-c1csc(C)n1 935756831 SIHDGOBCNXULCV-ZDUSSCGKSA-N 300.427 4.659 30 20 DJED N#Cc1cc(F)ccc1CN1Cc2ccccc2-c2ccccc21 1171631415 LXJPWRJJYJLXIH-UHFFFAOYSA-N 314.363 4.885 30 20 DJED N#Cc1ccccc1COc1ccc(OCC2CC2)c(Cl)c1 1189408180 ZFOWNTGJTGUASD-UHFFFAOYSA-N 313.784 4.579 30 20 DJED COc1ccc(C)cc1[C@@H](C)NCCC1(C#N)CCCCC1 1194975127 RLCYOHWZNGHQAH-MRXNPFEDSA-N 300.446 4.518 30 20 DJED CC(C)C[C@H]1CCCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 1214367896 LJVZFIVIMPSYGO-OAHLLOKOSA-N 319.836 4.644 30 20 DJED CC(C)(C)c1ccc(NN=Cc2c(Cl)cccc2Cl)nn1 1251931182 KVILHPDLJXMCKX-UHFFFAOYSA-N 323.227 4.527 30 20 DJED C=CCN(CC=C)C(=O)Nc1ccc(SC(F)(F)F)cc1 1317842795 QSKMTQKGARTMIW-UHFFFAOYSA-N 316.348 4.504 30 20 DJED C=CCC(CC=C)C(=O)N1CCC(Cc2ccc(C)cc2)CC1 1323697743 MDDMOVAWUOYJFF-UHFFFAOYSA-N 311.469 4.545 30 20 DJED C[C@H]1CCc2c(sc(NC(=O)[C@@H](C)C3CCCC3)c2C#N)C1 1351999325 CYSCULRHJNKMCQ-RYUDHWBXSA-N 316.470 4.509 30 20 DJED Cc1ccc([C@H]2CCCCCN2C(=O)c2cc(C#N)ccc2C)o1 1435263185 IHNUHUZJUUDCBG-GOSISDBHSA-N 322.408 4.526 30 20 DJED CSc1ccccc1[C@H](C)Nc1nc(C#N)c(Cl)s1 1458344246 WHAAWIWSUHQJQE-QMMMGPOBSA-N 309.847 4.563 30 20 DJED N#CCc1ccc(CN(Cc2ccccc2)CC2CCC2)cc1 1473119471 QAJBSNHEZOVPSF-UHFFFAOYSA-N 304.437 4.555 30 20 DJED Cc1cc(Cl)cc2c1N(Cc1ccc(C#N)s1)CCC2 1473240831 UWFYWDXSLQFFEO-UHFFFAOYSA-N 302.830 4.534 30 20 DJED CCCCC1CCC(CNC(=O)c2cccc(C#N)c2C)CC1 1526663552 RAWGQWSGTSPOKY-UHFFFAOYSA-N 312.457 4.593 30 20 DJED C[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1cccc(C2CC2)c1 1527172338 GWSMEWQWGQRCPG-GFCCVEGCSA-N 324.811 4.580 30 20 DJED CC[C@H]1CCCC[C@@H]1C(=O)N(c1cccc(C#N)c1)C1CCC1 1528693734 PRZMEKCEEBYARZ-LPHOPBHVSA-N 310.441 4.660 30 20 DJED CCCCc1ccc(C(=O)Nc2ccc(C#N)cc2Cl)cc1 1534931522 FWQZHYRJDVWFOQ-UHFFFAOYSA-N 312.800 4.807 30 20 DJED N#Cc1cc(Cl)ccc1NC(=O)Cc1cccc2ccccc12 1538943070 FZOHJBUULLHTTL-UHFFFAOYSA-N 320.779 4.546 30 20 DJED Cc1c(F)ccc2c1N(Cc1ccc(Cl)cc1C#N)CCC2 1559917516 FXYDKVZBQJIFIF-UHFFFAOYSA-N 314.791 4.612 30 20 DJED CC[C@H](C)[C@H](C)N(Cc1ccc(C#N)cc1OC(F)F)C1CC1 1615470260 WVDZKMGVGIMNIB-STQMWFEESA-N 322.399 4.559 30 20 DJED CCOc1ccc(C#N)cc1N[C@@H](C)CCc1cccc(C)c1 1621238668 CXEPBFJUBGWYBT-INIZCTEOSA-N 308.425 4.699 30 20 DJED COc1ccc(CN[C@H]2CCC[C@@H](C(C)(C)C)CC2)cc1C#N 1662235597 QEXPLOWQFBDVBV-MSOLQXFVSA-N 314.473 4.651 30 20 DJED CC(C)c1cccc(C(=O)/C=C/c2ccc(F)c(C(=O)O)c2)c1 1776375419 MRCYNYIJXSVIPC-VQHVLOKHSA-N 312.340 4.543 30 20 DJED N#Cc1ccc(CSCCOc2ccc(Cl)cc2)cc1 58239726 JYBAUUMZXHOWAN-UHFFFAOYSA-N 303.814 4.524 30 20 DJED CCc1c(C)sc(NC(=O)c2sccc2C2CC2)c1C#N 70843553 IAFOZKXFEPRYLE-UHFFFAOYSA-N 316.451 4.682 30 20 DJED CCCCOc1ccc(NC(=O)C2(C#N)CCCCC2)c(C)c1 98115076 WDSVKQYGBYXOHL-UHFFFAOYSA-N 314.429 4.587 30 20 DJED C=CCCCC(=O)N(Cc1ccccn1)c1ccc(Cl)cc1 175656300 JGMQGJAKOWAGMX-UHFFFAOYSA-N 314.816 4.625 30 20 DJED CCc1cc(C#N)c(NC(=O)c2cc(C)c(C)cc2Cl)s1 180535401 KKAAKCSHWIBHRP-UHFFFAOYSA-N 318.829 4.705 30 20 DJED Cc1cc(C#N)ccc1CN[C@H](C)c1cccc(C(F)(F)F)c1 186317674 HKCOTYQRMGDUJN-CYBMUJFWSA-N 318.342 4.736 30 20 DJED CC[C@H](CC#N)Nc1nc(C)nc2scc(-c3ccccc3)c12 302174815 VZYTVRQUKUIYLU-CQSZACIVSA-N 322.437 4.771 30 20 DJED C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(-c3ccccc3)cc2)C1 303613311 BZNROMXYYDXQNR-HRAATJIYSA-N 318.420 4.556 30 20 DJED C[C@@H]1CCC[C@H](/N=C(/O)c2ccc3c(c2)N=C(O)C3(C)C)[C@@H]1C 328712307 BNTKRFARQHFCQN-JMSVASOKSA-N 314.429 4.695 30 20 DJED Cc1nc(CC2CC2)oc1/C(O)=N/[C@@H]1CC[C@@H](C)c2ccccc21 330016853 QFCVVQGMXMBKJW-SJKOYZFVSA-N 324.424 4.879 30 20 DJED C[C@@H]1CCC[C@H]1CC(=O)N(Cc1ccco1)c1ccccc1C#N 346935365 IJGJNABVWCVZPO-CVEARBPZSA-N 322.408 4.511 30 20 DJED COCCCC[C@H](NCc1ccc(C#N)c(C)c1)c1ccccc1 348330774 PVFOGTDXRLXEND-NRFANRHFSA-N 322.452 4.514 30 20 DJED Cc1nc(N[C@H](C)c2ccc(Cl)s2)c(Cl)cc1C#N 388363830 OGNGQFBTSFPXCZ-MRVPVSSYSA-N 312.225 4.803 30 20 DJED C=CC[C@H](CC)NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl 410143380 CKIIQWPPHNALHC-DRZSPHRISA-N 312.240 4.568 30 20 DJED N#C[C@H]1CC[C@H](NCc2ccccc2-c2ccc(Cl)cc2)C1 442791867 OMZPNPDQZIWGCI-KSSFIOAISA-N 310.828 4.789 30 20 DJED Cc1cc(C)cc(NC(=O)CS[C@@H](C)c2cccc(C#N)c2)c1 443143146 IOZAUCDAQDTAMU-HNNXBMFYSA-N 324.449 4.608 30 20 DJED C[C@@H](N[C@H](C)c1ccccc1Cl)c1ccc(C#N)c(F)c1 488485431 WFLJVZYRPYUPSP-VXGBXAGGSA-N 302.780 4.763 30 20 DJED CC(C)CN(C(=O)c1cccc(Cl)c1)c1ccc(C#N)cc1 499298260 DICOKXNZRCPCAQ-UHFFFAOYSA-N 312.800 4.514 30 20 DJED C=CCCCCCN(C)C(=O)N[C@@H](C)c1cc(C)sc1C 523564962 FEFJCWLMQVKDQF-AWEZNQCLSA-N 308.491 4.814 30 20 DJED CCC(CC)[C@H](C)C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 536427971 URBJDCLEBHOKNQ-LSDHHAIUSA-N 300.446 4.540 30 20 DJED C[C@H](NCCSc1ccc(Cl)cc1)c1cccc(C#N)c1 537296707 FIXIJRFTBXNLBN-ZDUSSCGKSA-N 316.857 4.655 30 20 DJED C[C@H](NCc1cccc(C(F)(F)F)c1)c1ccc(C#N)c(F)c1 537401411 SCVYGCNTGUXSPX-NSHDSACASA-N 322.305 4.567 30 20 DJED Cc1cc(C)cc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c1 574661675 XOLBKXDOMUHEBK-KKSFZXQISA-N 304.437 4.903 30 20 DJED C[C@H](c1noc(C[C@@H](CC#N)c2ccccc2)n1)c1cccs1 581157411 JKVLBJOZTWFXKC-DZGCQCFKSA-N 323.421 4.523 30 20 DJED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cc2c(s1)CCCC2 618806650 QUBMVCKIQUURPD-UGSOOPFHSA-N 322.477 4.837 30 20 DJED CC(CCc1ccccc1)=NNc1ccc(OC(F)F)cc1 726430061 VOQVTDFYIMPUFL-UHFFFAOYSA-N 304.340 4.709 30 20 DJED Cc1ccc(N(CCC#N)C(=O)/C=C\Sc2ccccc2)cc1 726942513 ZEJXIDJHCPHIAD-QINSGFPZSA-N 322.433 4.548 30 20 DJED O=C(/C=C/c1cc(F)c(F)c(F)c1)c1c[nH]c2cc(F)ccc12 727974658 LOOBNGCSHMTLJL-DAFODLJHSA-N 319.257 4.620 30 20 DJED Cc1cccc(C(=O)/C=C/c2cnc(-c3ccccc3)nc2)c1C 734305469 WANANMFLHFMXQZ-VAWYXSNFSA-N 314.388 4.657 30 20 DJED COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl 741464330 NZVWFDNIVZEACA-SOFGYWHQSA-N 307.176 4.898 30 20 DJED CC1=C(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)CCC1 747205869 WTCSYTHVHASNPY-MRXNPFEDSA-N 322.433 4.795 30 20 DJED CC(C)c1ccc2c(c1)C(=O)/C(=C/c1ccc(Cl)nc1)CO2 748998182 OGCXJGSRXLQRFN-VGOFMYFVSA-N 313.784 4.517 30 20 DJED CCOc1cc(/C=C\C(=O)c2ccsc2)ccc1OC(F)F 749102365 RYXGUMZUGSRGEW-HYXAFXHYSA-N 324.348 4.644 30 20 DJED N#C[C@H](C(=O)CC1CCCCCC1)c1ccc2ccccc2n1 750682521 HJHJZWXBTYFMQB-KRWDZBQOSA-N 306.409 4.772 30 20 DJED COc1cc(/C=C\C(=O)c2cc(F)cc(F)c2)ccc1SC 755703451 BDILINDCYVUFAE-HYXAFXHYSA-N 320.360 4.591 30 20 DJED CC(CCc1cccc(C(F)(F)F)c1)=NO[C@@H]1CCCCO1 755823614 QXMCDJYCAYRLLL-OAHLLOKOSA-N 315.335 4.557 30 20 DJED O=C(/C=C\c1nc(Cl)cs1)c1ccc(Cl)c(Cl)c1 759074312 UUICBKSZTIEGTA-ARJAWSKDSA-N 318.612 4.999 30 20 DJED CCC(=CC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)CC 759224435 RXZFUDXKPXSGJN-UHFFFAOYSA-N 324.449 4.649 30 20 DJED C#CCCCCCc1nc(CSc2ccc(Cl)cc2)no1 761435786 DWXQPEGFWFEAJA-UHFFFAOYSA-N 320.845 4.751 30 20 DJED CC(C)(C#N)CCCCOC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 768648551 JWTKCUDUSYEHQS-HZPDHXFCSA-N 319.832 4.707 30 20 DJED O=C1/C(=C/c2ccc(Cl)nc2Cl)CCc2ccccc21 779357156 CUUDRYOKRRJCNL-PKNBQFBNSA-N 304.176 4.601 30 20 DJED C[C@@H](NC(=O)C=C1CCC1)c1ccc(-c2cccc(C#N)c2)cc1 782485826 MJTLAGPSVGURTI-OAHLLOKOSA-N 316.404 4.513 30 20 DJED O=C1/C(=C\c2ccc(Cl)cc2)CCOc2ccc(F)cc21 861416116 HZRXKTMCNGFFKP-XFXZXTDPSA-N 302.732 4.528 30 20 DJED O=C(/C=C\c1ccc(F)cc1)c1sccc1Br 915112611 GFQYVMFIKHNQEP-UTCJRWHESA-N 311.175 4.546 30 20 DJED COc1cc(OC)c(C(C)=NNc2cccc(C)c2)cc1Cl 916256453 ZNLGYRCKHAHNEO-UHFFFAOYSA-N 318.804 4.502 30 20 DJED O=C(/C=C\c1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 917516886 CWJKVZNMJPEVEL-PLNGDYQASA-N 322.147 4.798 30 20 DJED Clc1cccnc1NN=Cc1ccccc1-c1ccccc1 917547036 YNJDQYBYGRLXIK-UHFFFAOYSA-N 307.784 4.848 30 20 DJED Cc1cc(N2CCCC2)ccc1N=Cc1cc(Cl)ccc1O 920944697 ICISQGPDEBXKSM-UHFFFAOYSA-N 314.816 4.705 30 20 DJED CCc1ccc([C@H](C#N)N(C)C(=O)C[C@H](C)CC(C)(C)C)cc1 1129379422 LFZXSQGJYUVVJZ-YJBOKZPZSA-N 314.473 4.734 30 20 DJED N#Cc1cccc(Br)c1SCC1CCCCC1 1162278183 SIMQLGJBOCQWSX-UHFFFAOYSA-N 310.260 4.993 30 20 DJED CN(Cc1ccc(F)cc1C#N)C1CCC(C(C)(C)C)CC1 1167227340 LOYVIISDBFBLJP-UHFFFAOYSA-N 302.437 4.734 30 20 DJED C[C@@H]1CSC[C@H]1Nc1ccc(Oc2ccccc2)c(C#N)c1 1181112859 NOGSZBRLRBNFII-CXAGYDPISA-N 310.422 4.514 30 20 DJED CCCCc1ccc(N(C)C(=O)Nc2cccc(CC#N)c2)cc1 1205390179 LQKXUXBTXPHZRJ-UHFFFAOYSA-N 321.424 4.764 30 20 DJED CCCN(CC)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1216827774 ZVFHVVHMMJJNTM-UHFFFAOYSA-N 323.396 4.614 30 20 DJED Fc1ccc(CCC=NOc2ccccc2C(F)(F)F)cc1 1256728735 ICMAHQJWOWVLQJ-UHFFFAOYSA-N 311.278 4.842 30 20 DJED Cc1cc(C)c(/C=C/CN[C@@H](C)c2ccc(C#N)cc2)cc1C 1308229531 GUKXMWKKAXAICI-QWNKOJSDSA-N 304.437 4.848 30 20 DJED CC(C)c1nnc(-c2cccc(Oc3ccc(C#N)cc3)c2)o1 1328093838 ZNPGWWYAWVAHBS-UHFFFAOYSA-N 305.337 4.524 30 20 DJED N#Cc1nc(N2CCC[C@@H]2c2cccc(Cl)c2)sc1Cl 1330621864 NKNCEWMMZTXSRS-GFCCVEGCSA-N 324.236 4.663 30 20 DJED CC[C@@H](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1354317107 XWJXWBONBHEQAZ-VXGBXAGGSA-N 304.459 4.509 30 20 DJED C[C@H]1CN([C@H](C)c2ccc(C#N)cc2)CCc2ccc(Cl)cc21 1460342645 XODUVTOIHCBEAE-LSDHHAIUSA-N 324.855 4.934 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1ccc2occc2c1 1474374343 OSTKKMXCLPFTIZ-UHFFFAOYSA-N 304.393 4.717 30 20 DJED CC[C@H](OC(=O)c1csc(C#N)c1)c1cccc(Cl)c1 1521478387 PJUZUPLIWSQFAV-AWEZNQCLSA-N 305.786 4.581 30 20 DJED N#Cc1cc(NC(=O)CCC2CCC2)ccc1Oc1ccccc1 1539409584 GZEFOBQPPPVUQD-UHFFFAOYSA-N 320.392 4.869 30 20 DJED CC(C)[C@@H](C(=O)O[C@H](C)c1cccc(C#N)c1)c1ccccc1 1544194389 QVDSCUPGVMALMQ-DNVCBOLYSA-N 307.393 4.602 30 20 DJED CCc1ccc(C(=O)N(CCC#N)c2ccc(C)cc2)cc1CC 1584080685 IUBLLRZFGNMDNA-UHFFFAOYSA-N 320.436 4.680 30 20 DJED Cc1ccc(CN(Cc2cccc(C#N)c2)CC(C)C)c(C)c1 1618760723 MMHLTMULBJQMCH-UHFFFAOYSA-N 306.453 4.833 30 20 DJED CC(C)(CCNc1c(Br)cccc1C#N)C1CC1 1642723609 SAVVLUFKKTZYRY-UHFFFAOYSA-N 307.235 4.559 30 20 DJED N#Cc1ccccc1-c1ccc(CN2CCC=C(Cl)C2)cc1 1643647591 JUYVXEZXHIWKPS-UHFFFAOYSA-N 308.812 4.554 30 20 DJED CC[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1OC)C(C)C 1643935739 IFLQSUJYBMYEAF-HXUWFJFHSA-N 322.452 4.929 30 20 DJED Cc1cc(C)c(C#N)c(SC[C@@H]2CCCc3ccccc32)n1 1652395755 MPNUMQHOGSXESR-INIZCTEOSA-N 308.450 4.782 30 20 DJED CC[C@H](CC#N)NCc1cccc(Oc2ccc(Cl)cc2)c1 1654664678 IHSAASDPFGZMRR-MRXNPFEDSA-N 314.816 4.914 30 20 DJED CC[C@@H](c1ccccc1)N(CC)C(=O)Nc1cc(C)cc(C#N)c1 1678408853 WZKOKDQHFQFVHQ-IBGZPJMESA-N 321.424 4.872 30 20 DJED CC(C)Cc1ccc(C(=O)/C=C\c2csc(C(=O)O)c2)s1 1776339622 FNYXBBGLJOIGSS-HYXAFXHYSA-N 320.435 4.602 30 20 DJED CC(C)c1cccc(C(=O)/C=C\c2ccc(F)c(C(=O)O)c2)c1 1776375417 MRCYNYIJXSVIPC-CLFYSBASSA-N 312.340 4.543 30 20 DJED C=C(Cl)COc1ccc(C(=O)/C=C/c2cccs2)cc1 59737691 VZAOWQYFKIVVTJ-CMDGGOBGSA-N 304.798 4.776 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@H]1CC=CCC1 77687424 ADNNUJBYQPBVPB-AWEZNQCLSA-N 308.406 4.582 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)CCC(C)(C)C 78118814 YIAFFIHXSKRUMK-CYBMUJFWSA-N 304.459 4.846 30 20 DJED C[C@H](Nc1cccc(Oc2ccccn2)c1)c1ccc(C#N)cc1 174352123 TUTCNZVXOIZINS-HNNXBMFYSA-N 315.376 4.919 30 20 DJED C=C(C)[C@H](N[C@H](C)c1cc(C)ccc1O)c1ccc(F)c(F)c1 186451040 KWLLTLLSBDITMS-YJYMSZOUSA-N 317.379 4.947 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)C1(CC(C)C)CC1 440432947 LTFFYBYKBVUETR-UHFFFAOYSA-N 311.878 4.742 30 20 DJED C=C(CN[C@@H](CCCOC)c1ccc(F)cc1)c1ccccc1 442763359 GMXJWVDBLLLBML-FQEVSTJZSA-N 313.416 4.596 30 20 DJED C=CCN(C(=O)[C@@H](C)CCc1cccc(F)c1)c1ccccc1 443809843 LPASXFHVGYFGGI-INIZCTEOSA-N 311.400 4.614 30 20 DJED CC(C)Oc1ccc([C@H](C)NC2CCC(C)(C#N)CC2)cc1 449092902 VRMJLGBIEARKPM-DMKPSLHHSA-N 300.446 4.597 30 20 DJED Cc1cc(Sc2ccccc2)ccc1NC(=O)[C@@]1(C#N)C[C@@H]1C 460056210 WUXSYBOKPIRLEG-IFXJQAMLSA-N 322.433 4.635 30 20 DJED C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CCCSCC#N 466702574 CYYQTFXAHXXYHY-NSHDSACASA-N 317.285 4.633 30 20 DJED Cc1ccccc1C1(C(=O)Nc2sc(C)c(C)c2C#N)CCC1 472817517 ZLAOGWGGAQRDOF-UHFFFAOYSA-N 324.449 4.605 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 484363674 DILUGFYXNYMVCB-MRXNPFEDSA-N 315.432 4.690 30 20 DJED C=CCOc1cccc(NC(=O)[C@H](CCC)c2ccccc2)c1 501180495 UFWULHNBPKBKDB-LJQANCHMSA-N 309.409 4.774 30 20 DJED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)Cc1ccc(C#N)s1 507362329 YEEONVIMEHMJFS-NSHDSACASA-N 324.371 4.832 30 20 DJED C=CCC(CC=C)C(=O)N1CC[C@](F)(c2cccc(Cl)c2)C1 512417462 CUNZUGRGFXDMTF-GOSISDBHSA-N 321.823 4.506 30 20 DJED CCc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 521727419 SMGSNSVCHOOZCR-CQSZACIVSA-N 324.449 4.753 30 20 DJED N#CCN(C(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1 521732725 SDXMYYYDQOWSIG-UHFFFAOYSA-N 318.420 4.905 30 20 DJED CC(C)(C)c1csc(CCNc2cc(Cl)ccc2C#N)n1 522933878 CLXVTFBLILFLSO-UHFFFAOYSA-N 319.861 4.620 30 20 DJED Cc1c(CSC(C)C)cccc1NC(=O)C1(C#N)CC(C)C1 532078790 KIKQRZQIYWFHOC-UHFFFAOYSA-N 316.470 4.515 30 20 DJED CC[C@@H](C)n1c(S[C@H](C)CCC#N)nnc1-c1ccccc1 551423461 GTVNRLZMYQDUOF-ZIAGYGMSSA-N 314.458 4.700 30 20 DJED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)c(F)c1 552922767 SMZUVNVTSRCDBE-BLVKFPJESA-N 312.363 4.565 30 20 DJED CC[C@@H](NC[C@H]1CCCC[C@H]1C(F)(F)F)c1ccc(C#N)cc1 554078962 PAWKNZFUXODKKX-BRWVUGGUSA-N 324.390 4.968 30 20 DJED N#C[C@@H]1CC[C@@H](N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)C1 559150417 WCHYPSOHHCKWMR-IUODEOHRSA-N 321.251 4.775 30 20 DJED C[C@@H]1C[C@H]1[C@H](NC(=O)CCCCCC#N)c1ccc(Cl)cc1 588621467 LBXJANGEONLOMX-MZMPZRCHSA-N 318.848 4.627 30 20 DJED Cc1cccc(C)c1[C@H]1CCCN1C(=O)Nc1ccc(C#N)cc1 596443805 KEPXIXGPOGVFKD-GOSISDBHSA-N 319.408 4.544 30 20 DJED C[C@H](NN=Cc1csc(-c2cccs2)n1)c1ccccc1 728429979 UORAXDZJIIZUBJ-LBPRGKRZSA-N 313.451 4.556 30 20 DJED CCc1oc2ccccc2c1/C=C/C(=O)c1ccc2c(c1)COC2 742434989 PDRWNJJVLHZRSA-MDZDMXLPSA-N 318.372 4.922 30 20 DJED C/C(=C/C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1)C(C)(C)C 742657101 LQOKHZSHUZSAEC-AINHQSCGSA-N 312.457 4.657 30 20 DJED CC(=NNc1cc(F)cc(F)c1)c1sc(C(C)C)nc1C 751129978 ACNUIUWXUCYSRV-UHFFFAOYSA-N 309.385 4.689 30 20 DJED CC(C)c1nc(C(=O)/C=C\c2ccc(N3CCCCC3)cc2)co1 752887036 JSWBRZHRSHBRDN-FLIBITNWSA-N 324.424 4.684 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccc3ncccc3c2)c(Cl)c1 788360399 JTUHDMQXGUWPIA-YVMONPNESA-N 318.763 4.656 30 20 DJED O=C(/C=C/c1cnc(-c2ccco2)s1)c1cc(F)ccc1F 789131547 ZYCBINDAIAGWAR-GQCTYLIASA-N 317.316 4.577 30 20 DJED CC(C)c1ccc(/C=C2/C[C@@H](C(=O)O)c3ccccc3C2=O)cc1 806563548 ZFIKYCWBOOFEBN-JVCXIRSZSA-N 320.388 4.648 30 20 DJED COc1cccc(C(=O)/C=C/c2cscc2C(F)(F)F)c1 811685485 UBOKIHYXZQNKTD-AATRIKPKSA-N 312.312 4.672 30 20 DJED CC(=NNc1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 916269153 UYTUTPJSNPTJMH-UHFFFAOYSA-N 324.167 4.738 30 20 DJED O=C(/C=C1/COc2ccc(F)cc21)c1ccc(Cl)cc1Cl 918154231 HRIPVOBXCCEDML-UITAMQMPSA-N 323.150 4.791 30 20 DJED C=CCCO[C@@H](C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)o1 1117247497 JYERRIHFMYZDGR-NWDGAFQWSA-N 322.792 4.517 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)c1ccsc1Cl 1129674900 OBGXYOLUFIXLCE-UHFFFAOYSA-N 312.781 4.679 30 20 DJED CC(C)(C)[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 1214367956 NDSHCRVYTQXNLT-CYBMUJFWSA-N 319.836 4.502 30 20 DJED C[C@@H]1CCN(C(=O)[C@@H](CC#N)c2ccccc2)CC12CCCCC2 1296746912 XHKCLNNMDRQVEV-MJGOQNOKSA-N 324.468 4.503 30 20 DJED N#Cc1cc(F)ccc1CSc1nc2cc(F)ccc2s1 1307394339 BSAQHWZJLKBXDZ-UHFFFAOYSA-N 318.373 4.738 30 20 DJED CC1(C)CCC[C@H](CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 1308579093 TWLQMWDBHRILGM-YSIASYRMSA-N 310.485 4.975 30 20 DJED C=C(CNC(=O)N1CCCC(CC)(CC)CC1)c1ccccc1 1312820620 PGQRUXWRWMZPMS-UHFFFAOYSA-N 314.473 4.702 30 20 DJED CCCc1ccc([C@H](NC(=O)c2cccc(C#N)c2)C(C)C)cc1 1357834882 PCJLWDYWXPVOOX-HXUWFJFHSA-N 320.436 4.638 30 20 DJED CCC[C@@H](CC)C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 1435263817 DKZAASQZJSAAEJ-OAHLLOKOSA-N 323.396 4.510 30 20 DJED N#Cc1cc(F)cc(NC(=O)c2ccc(C3CCCC3)cc2)c1 1438462228 LTEGWXLVNUBIQQ-UHFFFAOYSA-N 308.356 4.607 30 20 DJED COc1ccc(C#N)cc1CN(Cc1ccc(C)cc1)C(C)(C)C 1460481906 LGORKDAPAHQXTF-UHFFFAOYSA-N 322.452 4.676 30 20 DJED C[C@H](CCC#N)CN1CC[C@@H](C)Sc2ccc(Cl)cc21 1462303867 JGVCJOCSOWHIGV-CHWSQXEVSA-N 308.878 4.971 30 20 DJED CC[C@H](OC(=O)c1ccc(C)c(C#N)c1)c1ccc(C)c(F)c1 1521213934 RRXSQNMEHZGBOA-SFHVURJKSA-N 311.356 4.622 30 20 DJED CCC(C)(C)C(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@H]2C 1523479340 WSTQMXKXBIOFOT-WDEREUQCSA-N 304.459 4.680 30 20 DJED C[C@H](CCc1c[nH]c2ccccc12)Nc1cccc(OCC#N)c1 1560744611 PNSHZPMUKJRQJH-OAHLLOKOSA-N 319.408 4.503 30 20 DJED CCc1ccc(CC)c(NC(=O)[C@@H](C#N)CCc2ccccc2)c1 1586997288 IKHHKANHVGPMJM-LJQANCHMSA-N 320.436 4.522 30 20 DJED CC[C@@H](NCCC1(C#N)CCCCC1)c1cc(F)ccc1F 1616720731 MLBLPRMXRIDQHJ-QGZVFWFLSA-N 306.400 4.870 30 20 DJED Cc1ccc([C@@H]2CCCCN2c2nc(C#N)c(Cl)s2)cc1 1639543704 LWBBRBBZJNQHBO-AWEZNQCLSA-N 317.845 4.708 30 20 DJED Cc1ccc(C#N)c(N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)n1 1642815160 SOMFBZWYCZMRDW-YOEHRIQHSA-N 311.816 4.663 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc(Cl)c1F 1654808782 GEUNHPRXCVDOLW-LBPRGKRZSA-N 302.780 4.544 30 20 DJED Cc1cc(N[C@@H](c2ccc(Cl)cc2)C2CCC2)ncc1C#N 1655114371 OWVSDNHUTDQVLG-GOSISDBHSA-N 311.816 4.868 30 20 DJED C[C@H]1CN(Cc2ccc(CC#N)cc2)CCc2ccc(Cl)cc21 1659272809 QAKWGFFVEVIVQU-HNNXBMFYSA-N 324.855 4.568 30 20 DJED CCc1ccc(C2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 1659660871 YUXBIGBSTKIKHG-NRFANRHFSA-N 304.437 4.693 30 20 DJED CC[C@H]1CCC[C@H](C=NNc2ccc(Cl)c(C(=O)O)c2)C1 1776033575 CEUPVSJPSSPXSS-RYUDHWBXSA-N 308.809 4.652 30 20 DJED CC(C)[C@@H]1CCCCCC1=NNc1ccc(C(=O)O)c(F)c1 1776075751 BHYYDCIXJZCCHQ-ZDUSSCGKSA-N 306.381 4.528 30 20 DJED Cc1c(NN=C2CCCCC[C@@H]2C(C)C)cccc1C(=O)O 1776088434 LRWJOCLRJACLPH-CQSZACIVSA-N 302.418 4.697 30 20 DJED CC[C@H](C)c1ccc(C(=O)/C=C/c2cccc(CC(=O)O)c2)cc1 1776697660 MAKUTZBPNHFFED-BLMSOEDDSA-N 322.404 4.723 30 20 DJED N#Cc1ccc(N[C@@H](c2ccccc2)c2ccc(Cl)cc2)nc1 25503561 CEECACICRYZWLW-IBGZPJMESA-N 319.795 4.808 30 20 DJED O=C(/C=C/c1coc(-c2ccccc2)n1)c1ccc(Cl)s1 109707401 JEKYKATWXRSKSD-VOTSOKGWSA-N 315.781 4.953 30 20 DJED N#CCCCCSCCOc1cc(Cl)ccc1Cl 161133642 RLAPLAXGHCRBBV-UHFFFAOYSA-N 304.242 4.799 30 20 DJED C=CCC[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 182043377 WLDSWQIAAOCIDB-DYESRHJHSA-N 320.436 4.947 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1cccc(Cl)c1Cl 187518017 ONCJOCCZTFWNGI-UHFFFAOYSA-N 313.228 4.538 30 20 DJED CCCc1ccccc1NCc1ccc(N(C)CCC#N)cc1 236870983 LDKQOKCBCPSDJU-UHFFFAOYSA-N 307.441 4.601 30 20 DJED C[C@@H]1C[C@@H]1[C@@H](NCC(C)(C)CCC#N)c1ccc(Cl)cc1 237354270 QFGAWEWWEWUIRE-COXVUDFISA-N 304.865 4.957 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1cc2ccccc2o1 277392666 RLAWBLFWGNBZRH-INIZCTEOSA-N 317.429 4.726 30 20 DJED C[C@@H](Nc1cc2ccccc2c(Cl)n1)c1cccc(C#N)c1 301438954 LQHOUOYTLFXFQB-GFCCVEGCSA-N 307.784 4.933 30 20 DJED N#Cc1ccc(N2CCS[C@H](c3ccccc3)C2)cc1Cl 301810648 XHASJZXGIVOISD-KRWDZBQOSA-N 314.841 4.506 30 20 DJED N#CCc1cccc(NCC(c2ccccc2)c2ccccc2)c1 313443673 YMVGXCYKLSRXGF-UHFFFAOYSA-N 312.416 4.997 30 20 DJED CC[C@H]1CCCN1C(O)=Nc1ccccc1S[C@H](C)CC#N 330667919 JRUNASDLZHCAAT-KGLIPLIRSA-N 317.458 4.501 30 20 DJED CC[C@](C)(/N=C(/O)c1cnc(C(C)(C)C)s1)c1nccs1 330825762 FOEMKDJIVFUXEC-HNNXBMFYSA-N 323.487 4.527 30 20 DJED COc1ccc2c(c1)[C@H](N[C@@H](CCC#N)c1ccccc1)CCC2 358348946 HOYDXPGZSMLPEI-LEWJYISDSA-N 320.436 4.707 30 20 DJED CC(C)c1ccc(C(=O)N(C)c2ccc(C#N)cc2)cc1Cl 468021581 KEMUZVDOXZNJJV-UHFFFAOYSA-N 312.800 4.612 30 20 DJED Cc1nc2cc(Cl)c(N[C@@H]3CCC[C@@H](C#N)C3)cc2s1 482079382 RIGGRNTZLGNNKX-GHMZBOCLSA-N 305.834 4.752 30 20 DJED CC1(C)CC[C@@H](CSc2ccc(C#N)c(C(F)(F)F)c2)O1 484501497 WKRMKPJGEDUNSW-NSHDSACASA-N 315.360 4.627 30 20 DJED C=CCCC1(C(=O)Nc2cc3sc(C)nc3cc2Cl)CC1 484680406 ONSMVHJZGJSDLK-UHFFFAOYSA-N 320.845 4.943 30 20 DJED CC(=O)c1ccc2cc(OCc3cccc(F)c3C#N)ccc2c1 488240007 YXZLRPGIEZSPNZ-UHFFFAOYSA-N 319.335 4.632 30 20 DJED CO[C@@H](c1ccccc1)[C@H](C)Nc1cccc(OCCCC#N)c1 494628288 BVTDHWGGCNHGNO-OXJNMPFZSA-N 324.424 4.557 30 20 DJED CCCc1ccc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)cc1 499301177 OTYIRJTXCGRQHO-UHFFFAOYSA-N 320.436 4.814 30 20 DJED CC(C)c1nc2ccc(NC(=O)c3ccc(C#N)cc3)cc2s1 502468580 DEQRMEXBMIGTAF-UHFFFAOYSA-N 321.405 4.544 30 20 DJED C=C[C@@](C)(CC)c1nc(-c2cccc(-c3cscn3)c2)no1 516604190 LMVMXQFIPBOSIF-KRWDZBQOSA-N 311.410 4.714 30 20 DJED C=CCS[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 531902915 OCDQKRWGUMVREW-SECBINFHSA-N 314.332 4.736 30 20 DJED COc1ccc(C#N)cc1CN[C@@H](c1ccccc1C)C(C)(C)C 539293321 ZEGKRRSEVDUXBH-FQEVSTJZSA-N 322.452 4.752 30 20 DJED C=CCC[C@H](NCC(=O)Nc1cc(C)ccc1C)c1ccccc1 539357066 ROADGWRDIZUZJS-IBGZPJMESA-N 322.452 4.539 30 20 DJED N#Cc1ccccc1CNC1(c2cccc(Cl)c2)CCCC1 540426684 ZYERZRUFWVBJCL-UHFFFAOYSA-N 310.828 4.771 30 20 DJED C[C@@H](N[C@H]1CCCc2c1[nH]c1ccccc21)c1cccc(C#N)c1 588954968 PXJJBMBIZUEZOG-VLIAUNLRSA-N 315.420 4.768 30 20 DJED C=CCCCSc1nnc(-c2ccccc2)n1[C@H](C)CC 605077168 GNJMDRWKKAZNDH-CQSZACIVSA-N 301.459 4.974 30 20 DJED C=CCCC[C@@H](C)NC(=O)c1oc2ccccc2c1CSC 611429041 LKBRKOHARPTEKS-CYBMUJFWSA-N 317.454 4.770 30 20 DJED C=CC[C@H]1CCCN(C(=O)Nc2ccc(-c3ccccn3)cc2)C1 667122623 IHEXMCXPGALIEC-INIZCTEOSA-N 321.424 4.569 30 20 DJED C=CCc1cc(CNc2ccc(C3CC3)cc2)cc(OC)c1O 678498612 JJYNDMSFYGVQNO-UHFFFAOYSA-N 309.409 4.619 30 20 DJED C#Cc1cccc(NC(=S)N(C)[C@H](C)c2ccc(C)cc2C)c1 726473849 VNFLMJQVCCFDAI-MRXNPFEDSA-N 322.477 4.675 30 20 DJED CCC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1cccs1 727650418 WHGJGGNHTLSCGH-UHFFFAOYSA-N 309.778 4.536 30 20 DJED O=C1/C(=C\c2ccc(OCC(F)F)cc2)CCc2ccccc21 741840533 YGISBGWRNYWCCS-PTNGSMBKSA-N 314.331 4.543 30 20 DJED CC(C)(C)c1ncc(/C=C2/CCc3cc(C#N)ccc3C2=O)s1 742436677 DRDJRPNQZICXOQ-ZROIWOOFSA-N 322.433 4.525 30 20 DJED C[C@H](C/N=C/c1c(O)ccc2ccccc12)Oc1ccccc1F 743043184 SXKBQFBWNKTRRR-CYGNYLSHSA-N 323.367 4.571 30 20 DJED CCCCN(C)c1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1 743475945 YZNXJNHZEDNUFO-INIZCTEOSA-N 307.441 4.968 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CC[C@H](C(C)C)CC2)n1 753558055 NFOVCIHLXRWSSK-RBSFLKMASA-N 318.486 4.905 30 20 DJED COc1ccc(C(=O)/C=C\c2cc(Cl)ccc2F)c(F)c1 753713645 JDRRITSAUDZCRJ-UQCOIBPSSA-N 308.711 4.523 30 20 DJED CCCCCCCCNC(=O)N1CCC[C@H]1c1cccc(C)n1 754861705 GLJODGMADRJLMC-SFHVURJKSA-N 317.477 4.597 30 20 DJED Cc1cccc2nc([C@H](C#N)C(=O)[C@H](C)CCC(C)(C)C)[nH]c12 755693665 AVAUYYPEXRPDEO-ZIAGYGMSSA-N 311.429 4.510 30 20 DJED CC[C@@H](C)Oc1cc(/C=C/C(=O)c2occc2C)ccc1OC 769783996 LXEUGKHGMLGITP-IZPAUZPXSA-N 314.381 4.670 30 20 DJED CC(CCCC(F)(F)F)=NNc1nccc2sccc12 774373678 PFGMANMBOPFERD-UHFFFAOYSA-N 301.337 4.817 30 20 DJED CC(=NOC1CCOCC1)c1ccc(Cl)c(Cl)c1Cl 774433608 QMZHWBFNGBQPIM-UHFFFAOYSA-N 322.619 4.566 30 20 DJED Cc1coc2ccc(NC(=O)c3ccccc3SCC#N)cc12 775447361 PQGAVFJEHXUQOK-UHFFFAOYSA-N 322.389 4.609 30 20 DJED O=C(/C=C\c1cc2cc(F)ccc2o1)c1cccc(F)c1F 776268586 SBEUPHJOLZAUSC-WAYWQWQTSA-N 302.251 4.746 30 20 DJED C=CC[C@H](C(=O)OCc1ccc2ncccc2c1)c1ccccc1 778429815 YRPLAWJLIZOHHP-IBGZPJMESA-N 317.388 4.638 30 20 DJED CC/C=C(\C)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782485187 FPHXKFVTQSVIGC-KNDGBBJPSA-N 318.420 4.759 30 20 DJED CCC/C=C/C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782829162 OBUFZTOWRQSAOV-DXWDOBMASA-N 318.420 4.759 30 20 DJED N#CC[C@@H](CC(=O)OCc1cc2ccccc2o1)c1ccccc1 795983894 QMXYZPJUKBLVNI-INIZCTEOSA-N 319.360 4.564 30 20 DJED C=CCC(F)(F)C(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 815880600 MHUIPOSGDQIFDL-MRXNPFEDSA-N 307.384 4.685 30 20 DJED C[C@@H](C#N)CSc1ccccc1NCC=C(Cl)Cl 849314576 MXNQPKDHUQYXQW-JTQLQIEISA-N 301.242 4.669 30 20 DJED CCCCCCCCCC(=O)N(C)Cc1nc2ccccc2[nH]1 913484636 MZROHWSTGOLDRQ-UHFFFAOYSA-N 315.461 4.662 30 20 DJED O=C(/C=C/c1ccc(F)c(Br)c1)c1cccc(F)c1 916134562 PHKHCLWDXHSOCA-FNORWQNLSA-N 323.136 4.623 30 20 DJED CC(=NNc1nc2ccccc2s1)c1ccc(Cl)cc1 916246263 BIDZCDUCZHIKMO-UHFFFAOYSA-N 301.802 4.786 30 20 DJED C=C(C)COC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 916586740 AIKLZCODHNCSPK-GDNBJRDFSA-N 302.370 4.547 30 20 DJED C=CCC[C@H]1CCCN1C(=O)Nc1ccccc1C(F)(F)F 1123365046 ZTOSFCOBRQCHAF-LBPRGKRZSA-N 312.335 4.668 30 20 DJED N#Cc1ccc(F)cc1COc1c(F)cc(Cl)cc1Cl 1166383966 PIGDHJBIDNJSTP-UHFFFAOYSA-N 314.118 4.722 30 20 DJED Cc1ccccc1[C@H](CC(F)(F)F)N[C@H](C)CC(C)(C)C#N 1308725467 ZLYCYTCYCQKJOV-HIFRSBDPSA-N 312.379 4.907 30 20 DJED CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1361170770 LESBEXNVYZABOC-FZMZJTMJSA-N 324.346 4.732 30 20 DJED N#Cc1cccc(N[C@H]2CCc3ccc(-c4ccccc4)cc32)n1 1472762775 KRURRKHKPGOQDX-FQEVSTJZSA-N 311.388 4.720 30 20 DJED CC[C@H](Nc1ccc(Cl)c(C#N)n1)C(C)(C)c1ccccc1 1559140504 LSWWBJPMTCLYQZ-INIZCTEOSA-N 313.832 4.775 30 20 DJED Cc1cc(C#N)ccc1CN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 1617765312 HGPDOPRHVONMMV-VSKRKVRLSA-N 316.448 4.635 30 20 DJED Cc1cc(Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ncn1 1639330146 DUNJMCWNPOSUIC-UHFFFAOYSA-N 316.364 4.501 30 20 DJED CCCC[C@@H](Nc1ccc(C#N)c(C)n1)c1ccc(OC)cc1 1655103616 HXPRRSFDGLALLJ-GOSISDBHSA-N 309.413 4.614 30 20 DJED C[C@@H](CCC#N)CNc1cccc(OCCc2ccccc2)c1 1659598683 KALBFMHJIDUKNA-KRWDZBQOSA-N 308.425 4.660 30 20 DJED CC[C@@H](C)c1ccc(/C=C2\CCc3occ(C(=O)O)c3C2=O)cc1 1776698683 SBGMZODJSXYYOY-JXCQQFQQSA-N 324.376 4.704 30 20 DJED CC(C)c1cccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)c1 43551285 ZMNQGPCPOIVAPQ-CQSZACIVSA-N 307.397 4.564 30 20 DJED COc1ccccc1/C=C/C(=O)c1ccc(C(F)(F)F)cc1 59270308 NPMSLXGNGZSRDQ-DHZHZOJOSA-N 306.283 4.610 30 20 DJED CC[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(OC)cc1 90664900 QRFFMZJBYKCKPU-UXHICEINSA-N 308.425 4.781 30 20 DJED C[C@H](NCc1cc(C#N)cs1)c1ccc(-c2ccncc2)cc1 177708542 OTSBBACQDSPEFC-AWEZNQCLSA-N 319.433 4.533 30 20 DJED COc1ccc(C#N)cc1CN[C@H](C)c1cccc2ccccc12 181654590 XSMJWVSOCBAMBG-OAHLLOKOSA-N 316.404 4.571 30 20 DJED C[C@H](C#N)Oc1ccccc1NC(=O)[C@H](C)CC1CCCCC1 182160566 NIUYCKMGEKQBFT-HUUCEWRRSA-N 314.429 4.522 30 20 DJED C[C@@H](NCc1ccc(Cl)cc1C#N)c1ccccc1Cl 187193065 QMFJQACMIYCVCS-LLVKDONJSA-N 305.208 4.716 30 20 DJED C=CCC[C@H](C(=O)Nc1ccccc1CCOC)c1ccccc1 188192097 RYGBPNYXNJAFGA-IBGZPJMESA-N 323.436 4.564 30 20 DJED C[C@@H](NCc1ccc(C#N)c(F)c1)c1cccc(Cl)c1Cl 192157677 OVCRVGBNTJHKBP-SNVBAGLBSA-N 323.198 4.855 30 20 DJED CC(C)(C)C[C@@H](NCc1cccc(C#N)c1)c1ccc(F)cc1 236627440 RRMVROCPTNESHE-LJQANCHMSA-N 310.416 4.964 30 20 DJED Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1cc(C#N)cs1 255266056 AHEUXMAUXBSSRH-WAYWQWQTSA-N 316.451 4.578 30 20 DJED CSc1ccc(Cl)cc1NCCCC1(C#N)CCOCC1 281344942 WRQHMKIROHYMKB-UHFFFAOYSA-N 324.877 4.574 30 20 DJED Cc1ccsc1[C@@H](Cc1ccccc1)Nc1cccc(C#N)n1 301546951 DYACNXIPFOQBBM-QGZVFWFLSA-N 319.433 4.719 30 20 DJED C[C@@H]1C[C@@H](/C(O)=N/C2CCC3(CCCCC3)CC2)CC(O)=N1 329933558 BOAHBWHMVRWDAO-ZIAGYGMSSA-N 306.450 4.591 30 20 DJED CC(C)[C@@H](C)Sc1c(C#N)cnc2c(F)c(F)c(F)cc12 342423543 ZMNZLPBNOVJVRS-MRVPVSSYSA-N 310.344 4.660 30 20 DJED N#CCCCOc1cccc(CN2CCC[C@H]2c2ccccc2)c1 349752087 ZNEUIPTVLVFKJU-NRFANRHFSA-N 320.436 4.706 30 20 DJED CC[C@H]1CCCC[C@@H]1CNc1ccc(C#N)c(Br)c1 401417252 CXTJIDPQBPJEEF-GXTWGEPZSA-N 321.262 4.949 30 20 DJED C=CC[C@@H](CC)NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F 410138809 IBCZUNNGXOOPMB-CHWSQXEVSA-N 313.363 4.670 30 20 DJED C[C@@H](C#N)N(CCCCCF)Cc1cccc(C(F)(F)F)c1 425534865 MIGSNQRLFNTHAC-ZDUSSCGKSA-N 316.342 4.559 30 20 DJED Cc1oc(C#N)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 435390964 UYNAAMLTBOIJJL-UHFFFAOYSA-N 318.332 4.504 30 20 DJED Cc1cccc([C@@H]2CCCCN2C(=O)c2cc(C#N)cs2)c1C 437690232 VNYCHCCLFHJJSQ-KRWDZBQOSA-N 324.449 4.604 30 20 DJED Cc1c(COc2ccccc2)cccc1N[C@H]1CC[C@H](C#N)C1 442880655 ZFKXGUKTIKEGKO-WMZOPIPTSA-N 306.409 4.678 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2c(F)cccc2F)CCCC1(C)C 444815354 FKWOTTSBFDIILR-AWEZNQCLSA-N 308.372 4.563 30 20 DJED N#Cc1ccc(-c2nc(-c3ccc(Cl)cc3Cl)no2)s1 445467061 KEFNAPIAZDQEMT-UHFFFAOYSA-N 322.176 4.644 30 20 DJED CSCC1CCC(N[C@@H](CCC#N)c2ccccc2)CC1 449202222 JOJNNTCNEWHTIF-VJFUWPCTSA-N 302.487 4.543 30 20 DJED Cc1ccccc1[C@H]1CCCN1c1nc(C)c(C#N)cc1Cl 461783748 FJYZTGTUUXKBML-QGZVFWFLSA-N 311.816 4.565 30 20 DJED C=CCC[C@@H](NC(=O)N1CCCC2(CCC2)C1)c1ccccc1 472062149 INHFRAPTHWSDTI-GOSISDBHSA-N 312.457 4.670 30 20 DJED COc1cccc(OC)c1SCC#Cc1cccc(Cl)c1 473791022 WHSNREBZIQZTLH-UHFFFAOYSA-N 318.825 4.501 30 20 DJED C=CCC1(C(=O)N2CC=C(c3cccc(Cl)c3)CC2)CCC1 477363349 CTUWSUVIUAKLCV-UHFFFAOYSA-N 315.844 4.702 30 20 DJED CCC(CC)[C@@H](NC(=O)c1ccc(C#N)s1)c1cccs1 486671390 OITHNPJIZDXKNV-OAHLLOKOSA-N 318.467 4.589 30 20 DJED Cc1cccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c1C 498475333 FEGRERVBZNAOCQ-IBGZPJMESA-N 320.436 4.596 30 20 DJED C=CCOc1cccc(NC(=O)C[C@@H](C)c2ccc(F)cc2)c1 501142666 YSPVLNOYRDYCKC-CQSZACIVSA-N 313.372 4.523 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1sccc1C1CC1 504914197 JINSJJHYYGBNGM-UHFFFAOYSA-N 303.471 4.834 30 20 DJED Cc1ccc(-c2csc(CNc3cccc(C#N)c3)n2)cc1 506246072 DYTFAPLTTQJGMB-UHFFFAOYSA-N 305.406 4.602 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1cnc(C(C)C)s1 508603251 IJAOMRMHLATRQR-UHFFFAOYSA-N 313.470 4.550 30 20 DJED C=CC1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 517658705 PSEODERKJJFNDE-CABCVRRESA-N 324.251 4.522 30 20 DJED C=C[C@H](CC(=O)N1CC[C@H](c2ccccc2C)C1)c1ccccc1 534694005 APERCNKHRVFMOH-QUCCMNQESA-N 319.448 4.671 30 20 DJED Cc1ccccc1[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)C1CC1 539608629 VMISFAKDQKJACR-VLIAUNLRSA-N 308.400 4.808 30 20 DJED C=CCC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 540146726 LETODLLGFBQWKT-DNVCBOLYSA-N 310.397 4.953 30 20 DJED C=CC[C@H](C(=O)N(C)Cc1cccc(C)c1C)c1ccccc1 552653070 KLVHWSBAGJGRFK-FQEVSTJZSA-N 307.437 4.622 30 20 DJED N#CCC[C@@H](C#N)CN[C@H](c1cccc(Cl)c1)C1CCCC1 569352497 QTRHNNHAFRIGJQ-KSSFIOAISA-N 315.848 4.604 30 20 DJED Cc1cc(F)ccc1-c1ccc(CNCC(C)(C)CCC#N)o1 578180494 KHJUTHLFAJPXPY-UHFFFAOYSA-N 314.404 4.814 30 20 DJED CC(C)[C@@H](C(=O)NCC(C)(C)CCC#N)c1cccc(Cl)c1 581904171 CSZALFYIYBRLHM-MRXNPFEDSA-N 320.864 4.526 30 20 DJED Cc1ccc(SCC(F)(F)F)c(NCC2(CC#N)CC2)c1 594704910 HHZZXWCFQKBKSQ-UHFFFAOYSA-N 314.376 4.755 30 20 DJED C[C@@H](CCC#N)CNc1ccc(F)cc1OCCC(F)(F)F 602659802 XJTXSYXNBQTUDZ-NSHDSACASA-N 318.314 4.509 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(C)c1 606538472 QXZDIJCWEAUIQI-UHFFFAOYSA-N 320.845 4.930 30 20 DJED CCCCCCCOC(=O)c1csc(-c2ccc(O)cc2)n1 726643031 DHZOOYPRXMXHNX-UHFFFAOYSA-N 319.426 4.643 30 20 DJED CC(=NN[C@@H](C)c1ccccc1)c1cccc(-c2ccncc2)c1 741460831 COVJXGWEQBVBDK-INIZCTEOSA-N 315.420 4.823 30 20 DJED Oc1ccc(Cl)cc1C=Nc1ccc(CC(F)(F)F)cc1 741466061 CDZIROBVMPXGDL-UHFFFAOYSA-N 313.706 4.901 30 20 DJED CCO[C@@H]1C[C@@H](/N=C/c2c(O)ccc3ccccc23)C12CCCC2 743044582 MHQXZRWUSXGZHQ-CJAKRPKWSA-N 323.436 4.702 30 20 DJED COCc1cccc(C=NNc2ccc(Cl)cc2Cl)c1 743428150 MKLKUEBFMMKIBX-UHFFFAOYSA-N 309.196 4.586 30 20 DJED CC(=NNc1oc(C(C)C)nc1C#N)c1ccc(C(C)(C)C)cc1 745625713 ZXLFLLZFXOANGA-UHFFFAOYSA-N 324.428 4.803 30 20 DJED CCCCCCCC(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 751204411 ZACQRLKRUMWCJM-CVEARBPZSA-N 323.502 4.523 30 20 DJED CC(=NNc1c(Cl)cc(Cl)cc1Cl)C1CCOCC1 755873688 KRHYWYADVXHHKD-UHFFFAOYSA-N 321.635 4.861 30 20 DJED CC(=O)Nc1cccc(C(=O)/C=C/c2c(C)oc3ccccc23)c1 759073450 NNBLNIJSVMXUSU-ZHACJKMWSA-N 319.360 4.596 30 20 DJED CCCCCCCCCC(=O)N1CCC(c2ccncc2)CC1 760735029 FLXWGJGVXGBAFV-UHFFFAOYSA-N 316.489 4.928 30 20 DJED C=C(Cl)CN[C@@H](C)c1sc(-c2ccccc2F)nc1C 773006142 VASFCYWGEWQYFB-JTQLQIEISA-N 310.825 4.661 30 20 DJED CC(C)c1ccccc1CN[C@@H]1CCCc2cc(C#N)ccc21 783315760 IJVMYZRNYCFPPT-OAQYLSRUSA-N 304.437 4.849 30 20 DJED COc1cc(NN=C(C)CSC(C)(C)C)ccc1Cl 788467670 LVOCVDILTHKMCX-UHFFFAOYSA-N 300.855 4.668 30 20 DJED Cc1c(C(=O)/C=C\c2ccc(C(F)F)cc2)cnn1C(C)C 794942678 DMIYFXUPAUGUOU-TWGQIWQCSA-N 304.340 4.606 30 20 DJED CC(=NOCc1cnc2ccccc2c1)c1cc2ccccc2o1 799174909 TWSXGBQQURWPTA-UHFFFAOYSA-N 316.360 4.922 30 20 DJED N#Cc1ccccc1/C=C\C(=O)Nc1cc(Cl)ccc1Cl 799434847 FTMREXIMKIUZPW-YVMONPNESA-N 317.175 4.517 30 20 DJED CC(C)(C#N)[C@H]1CCCC1=NNCc1ccc(C(F)(F)F)cc1 814807632 DPCRRYHVUOJEQT-AWEZNQCLSA-N 323.362 4.501 30 20 DJED CCCn1nccc1/C=C\C(=O)c1ccc(SC(F)F)cc1 853005332 GZTIUXSEPBAXNB-YVMONPNESA-N 322.380 4.504 30 20 DJED COc1cccc(C(C)=NNc2ccccc2C(F)(F)F)c1 916259785 KOGHGYMOGDAGCP-UHFFFAOYSA-N 308.303 4.550 30 20 DJED C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc2ccccc2c1 1124243761 QIGVGIGUTZSNIX-OAHLLOKOSA-N 314.388 4.529 30 20 DJED CC(C)COc1ccccc1C(=O)O[C@H](C)c1ccc(C#N)cc1 1126713279 VIACXTGTMZYADS-OAHLLOKOSA-N 323.392 4.511 30 20 DJED Cc1cccc2cc(C(=O)N(C)c3ccc(C#N)c(Cl)c3)oc12 1131995392 CIIAAQJWDPLQPM-UHFFFAOYSA-N 324.767 4.543 30 20 DJED C[C@@H](CCc1ccsc1)N[C@@H]1CCCc2cc(C#N)ccc21 1182433976 MIWKGBNYBKHEFE-IFXJQAMLSA-N 310.466 4.608 30 20 DJED C[C@@H]1C[C@H](NCc2cc(C#N)ccc2F)C[C@@H](c2ccccc2)C1 1203683445 VYLFJKDCZJLEPA-QSFXBCCZSA-N 322.427 4.759 30 20 DJED N#Cc1ccc(CN2CCC[C@@H]2c2cccc(F)c2)c(Cl)c1 1238085269 ZHFXJILTPZWCGR-GOSISDBHSA-N 314.791 4.688 30 20 DJED Cc1cc(C#N)ccc1CN1CCCc2cc(Cl)cc(C)c21 1307544766 JCOWSDXZIRISEX-UHFFFAOYSA-N 310.828 4.781 30 20 DJED CC(C)[C@@H](Cc1ccccc1)c1nnc(-c2ccc(C#N)cc2)o1 1322325740 QGTGXEFTXPDBJP-GOSISDBHSA-N 317.392 4.591 30 20 DJED CCC(C)(C)c1ccc(COC(=O)c2ccc(C)c(C#N)c2)cc1 1357689189 GETFIMHITPHCJR-UHFFFAOYSA-N 321.420 4.911 30 20 DJED Cc1ccnc(N[C@H](C)c2ccc(F)c3ccccc23)c1C#N 1458414155 MDUJAVNIVVQGBO-CYBMUJFWSA-N 305.356 4.727 30 20 DJED CO[C@H](CSc1ccc(C#N)cc1Cl)Cc1ccccc1 1459003751 YMTQFYRZWUNECL-HNNXBMFYSA-N 317.841 4.561 30 20 DJED N#Cc1ccc(CN2CCCCC[C@H]2c2ccco2)c(Cl)c1 1459520511 JYFKNSQCUOFCNY-KRWDZBQOSA-N 314.816 4.922 30 20 DJED C[C@@H]1CCCC[C@H]1CC(=O)N(c1ccccc1C#N)C1CCC1 1461560400 SFPNMMDCIXLPQF-CVEARBPZSA-N 310.441 4.660 30 20 DJED CC(C)(CC#N)CSc1ncc(C(F)(F)F)cc1Cl 1472913792 PCXBWGPRPRIDNO-UHFFFAOYSA-N 308.756 4.786 30 20 DJED Cc1ccc2sc(N[C@@H](C)c3ccc(C#N)cc3)nc2c1C 1559082554 SUEXYEJBHPHNFW-ZDUSSCGKSA-N 307.422 4.958 30 20 DJED COc1cccc([C@H](C)SCc2ccc(C#N)cc2OC)c1 1559385630 QSUYQDYJNUJNDH-ZDUSSCGKSA-N 313.422 4.570 30 20 DJED CC(C)C[C@H](Cc1cccc(Cl)c1)NCC1(CC#N)CC1 1621294922 SXJVJKYLWNJMIC-QGZVFWFLSA-N 304.865 4.581 30 20 DJED Cc1ccnc(NC2CCC(C)(c3ccccc3)CC2)c1C#N 1651636478 ONJHIUWWSCLCRD-UHFFFAOYSA-N 305.425 4.574 30 20 DJED Cc1ccc(C)c(CSc2nc3c(c(C)c2C#N)CCC3)c1 1651685979 ILRGCLNBSYZCCS-UHFFFAOYSA-N 308.450 4.660 30 20 DJED C[C@H](CNc1cc(F)cc(C#N)c1)c1ccc(C(F)(F)F)cc1 1652960558 WWRIBNWRUXIEQB-LLVKDONJSA-N 322.305 4.932 30 20 DJED Cc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c(Cl)c1 1658146627 SKILEWRPZIRFPN-LJQANCHMSA-N 310.828 4.687 30 20 DJED CCCCc1ccc(C(=O)/C=C/c2ccc(/C=C\C(=O)O)o2)cc1 1776806044 XXNIOAZOVNOWIS-KPGXXQICSA-N 324.376 4.616 30 20 DJED N#Cc1ccc(CSCc2cccc(OC(F)F)c2)cc1 65270842 XAQNEXBWKQPQKN-UHFFFAOYSA-N 305.349 4.593 30 20 DJED CCC[C@@H](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N 66800804 LCCBLDXNPHCNKL-KGLIPLIRSA-N 304.459 4.846 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc3ccccc3c2)n1 80452525 AITMUALBZKNVLY-INIZCTEOSA-N 320.417 4.910 30 20 DJED CCCC(=CC(=O)Nc1nc(C)c(SCC#N)s1)CCC 92334540 ZSTPFCLBGXKGSX-UHFFFAOYSA-N 323.487 4.532 30 20 DJED CC(C)[C@](C)(NCCCCC#N)c1ccc(Br)cc1 192373891 GTSIOEPGNMCKCG-INIZCTEOSA-N 323.278 4.604 30 20 DJED C=CCC[C@H](C(=O)Nc1ccc(COC)cc1)c1ccccc1 195257507 CQPKFVDVOAUYOH-IBGZPJMESA-N 309.409 4.522 30 20 DJED COc1ccc(-c2ccc(CNCC(C)(C)CCC#N)cc2)cc1 237287276 DOIDNNFNMIIBPX-UHFFFAOYSA-N 322.452 4.782 30 20 DJED O=C(/C=C/c1ccccc1OC(F)F)c1c[nH]c2ccccc12 302991033 XKXKDBWNCBZFII-MDZDMXLPSA-N 313.303 4.665 30 20 DJED C=CCCC(=O)N(Cc1cccnc1)c1cc(C)ccc1Cl 341979168 DSZJSMBCGHNQIU-UHFFFAOYSA-N 314.816 4.543 30 20 DJED CCCCCCCN1CCC(c2ccccc2C(=O)O)CC1 375365623 HOHZSPGBDSSELR-UHFFFAOYSA-N 303.446 4.535 30 20 DJED Cc1ccc(Oc2ccccc2CN[C@H]2CC[C@H](C#N)C2)cc1 442780222 MNGCSSIGVGMBOI-WMZOPIPTSA-N 306.409 4.569 30 20 DJED N#C[C@H]1CC[C@H](N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 442865428 IHNFHDNAFYEIHO-PYJNHQTQSA-N 309.240 4.521 30 20 DJED N#C[C@@H]1CCC[C@H](Nc2cccc(OCc3ccc(F)cc3)c2)C1 463276847 BIOAYEBFQPUSRC-AEFFLSMTSA-N 324.399 4.899 30 20 DJED CC(C)(C#N)c1ccccc1CN1CC[C@H](C(F)(F)F)C1(C)C 469995951 HHKLPUXDNSHIJF-HNNXBMFYSA-N 324.390 4.651 30 20 DJED CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 476185549 BESTXKKXUFBVKC-QAPCUYQASA-N 312.457 4.529 30 20 DJED C=CCC1(C(=O)Nc2cccc(-c3nc(C)cs3)c2)CCC1 480045213 RFUPZBBFUFVGDT-UHFFFAOYSA-N 312.438 4.803 30 20 DJED CC[C@H](CC#N)N[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 545872193 XBHHRJHUHAYABV-OAGGEKHMSA-N 310.363 4.623 30 20 DJED C[C@@H](CCC(=O)N[C@@](C)(C#N)C1CCCCC1)c1ccccc1 550742855 CYNKBQWESDGERV-JXFKEZNVSA-N 312.457 4.549 30 20 DJED Cc1oc(C(C)C)cc1C(=O)N(C)c1cc(Cl)ccc1C#N 561763346 AQCACBOAXOXPOL-UHFFFAOYSA-N 316.788 4.513 30 20 DJED C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)c2ccccc12 566396701 GPBFTUBFQDRGBL-ZDUSSCGKSA-N 322.358 4.840 30 20 DJED N#CCc1ccc(NC(=O)Nc2ccc(C3CCC3)cc2)cc1 570899777 ZRDDGTCEZIHAFE-UHFFFAOYSA-N 305.381 4.664 30 20 DJED C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccccc21 574718683 RIYPZOAGDVISDL-CQSZACIVSA-N 319.408 4.643 30 20 DJED Cc1cc(C)c(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c(Cl)c1 591272266 SQMUDRUOTAUQDJ-JKSUJKDBSA-N 324.811 4.571 30 20 DJED CC[C@@H](CC(=O)N(CC)[C@H](C)c1ccc(C#N)cc1)C(C)C 609166445 BYAZRWLERMVIFZ-WBVHZDCISA-N 300.446 4.540 30 20 DJED Cc1cc(C#N)ccc1CSCc1csc(C(C)C)n1 614394672 HMHQTMGBLQWQJQ-UHFFFAOYSA-N 302.468 4.880 30 20 DJED C=CCN(Cc1ccccc1)C(=O)c1[nH]c2ccccc2c1Cl 615713076 WIURFUWHHOAOTG-UHFFFAOYSA-N 324.811 4.650 30 20 DJED Cc1cccnc1[C@@H]1CCC[C@@H](N[C@H](C)c2cccc(C#N)c2)C1 619611257 AHKABLDGSWLDQM-NSISKUIASA-N 319.452 4.639 30 20 DJED C=CCC1(NCc2cc(-c3ccccc3)cs2)CCOCC1 657633432 PFPKHNFKJGAUQH-UHFFFAOYSA-N 313.466 4.630 30 20 DJED N#CCCCOc1cccc(/C=C2/CCc3sccc3C2=O)c1 726889043 AVEPXMYAEZZJOY-QINSGFPZSA-N 323.417 4.643 30 20 DJED CC(C)CC[C@H]1CCCC1=NNc1oc(C(C)(C)C)nc1C#N 727257356 JOOSZMIRPMHMTA-CYBMUJFWSA-N 316.449 4.848 30 20 DJED CC(=NNc1cnc2ccccc2n1)c1cccc2ccccc12 727258755 STGCCYLXEYMBDF-UHFFFAOYSA-N 312.376 4.619 30 20 DJED CCc1cccc2c(/C=C/C(=O)c3ccc(O)c(C)c3)c[nH]c12 728231989 PMBXKMIFZUPUSW-CSKARUKUSA-N 305.377 4.640 30 20 DJED CC(CSC(C)(C)C)=NNc1ccc([N+](=O)[O-])cc1Cl 729638887 KKCCYLICVSXJBT-UHFFFAOYSA-N 315.826 4.568 30 20 DJED C=CC[C@H](C)NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F 735065988 LUPIKKJMZZHBES-LBPRGKRZSA-N 317.791 4.841 30 20 DJED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1ccc(Cl)s1 739426408 UJHVQXDSMWMXLG-XQRVVYSFSA-N 307.758 4.514 30 20 DJED O=C(/C=C\c1cc2cc(F)ccc2o1)c1ccc(F)c(F)c1 741852476 LOFFFKCEEOPTBE-HYXAFXHYSA-N 302.251 4.746 30 20 DJED O=C1/C(=C/c2cccc(O)c2)CCSc2ccc(Cl)cc21 748441680 MJDHALFRAVEBAW-XYOKQWHBSA-N 316.809 4.808 30 20 DJED O=C(/C=C/c1ccc(Cl)nc1)c1cccc(Cl)c1Cl 749004974 HGBUBIQOWQVOBU-GQCTYLIASA-N 312.583 4.938 30 20 DJED COc1ccc(/C=C/C(=O)c2ccsc2)cc1OCC(C)C 749102594 VQIFHCNXUKLCQU-GQCTYLIASA-N 316.422 4.688 30 20 DJED O=C(/C=C\c1cccc(F)c1)c1ccc(Br)cc1F 767735205 AESZNILSMCOLEJ-DAXSKMNVSA-N 323.136 4.623 30 20 DJED O=C(/C=C\c1cccc(-c2cccnc2)c1)c1cc(F)ccc1F 768492514 HLPUXKPWADWCFG-TWGQIWQCSA-N 321.326 4.923 30 20 DJED O=C1/C(=C\c2ccc3cnccc3c2)Oc2ccc(Cl)cc21 782324634 GAWZVBSYOYQXCL-CAOOACKPSA-N 307.736 4.504 30 20 DJED CCCCCCCCCNC(=O)[C@@H]1CCC(=O)c2ccccc21 785804895 SFJKBDSQROITPP-GOSISDBHSA-N 315.457 4.614 30 20 DJED CC(/C=C\C(=O)c1sccc1C)=C/c1cccc([N+](=O)[O-])c1 787170209 TUWAFXVLLSFGPT-CEHXRRPISA-N 313.378 4.807 30 20 DJED COc1ncc(C(=O)/C=C/c2ccc(C(F)F)cc2)cc1Cl 789157664 PFALOWXPNBWRGT-QPJJXVBHSA-N 323.726 4.577 30 20 DJED CC(C)(C)c1cnc([C@H](C#N)C(=O)C2CCCCCC2)s1 797573839 YEUFCUCKQIVUNM-CYBMUJFWSA-N 304.459 4.587 30 20 DJED Cc1ccc(NC(=O)OC(C)(C)C)cc1OCCC(C)(C)C#N 799963020 FFPWDBOECMLDFY-UHFFFAOYSA-N 318.417 4.661 30 20 DJED C#CCCCCCC(=O)N1CCC[C@@](C)(c2ccccc2)CC1 804281958 AHNAVDBTXTWBMV-OAQYLSRUSA-N 311.469 4.541 30 20 DJED N#CCCCC(=O)OCCCCc1ccc(Cl)c(Cl)c1 813087216 YABNSGMJXAUKNJ-UHFFFAOYSA-N 314.212 4.553 30 20 DJED FC(F)(F)c1ccc(NN=C2CC[C@H](c3ccccc3)C2)nc1 814711417 IVBCNIHYTCXPDO-ZDUSSCGKSA-N 319.330 4.836 30 20 DJED CCOc1ccc(NN=Cc2csc(Cl)c2Cl)cc1 814985034 ZWRQPYVRRRFEIB-UHFFFAOYSA-N 315.225 4.900 30 20 DJED CCOc1ccc(NN=C(C)c2cnc3ccsc3c2)cc1 814985103 RPWUCDCIARWUKG-UHFFFAOYSA-N 311.410 4.531 30 20 DJED Clc1ccc(C=NNc2ccc(Br)cc2)s1 912828280 OEGSVKJDTCKVRK-UHFFFAOYSA-N 315.623 4.610 30 20 DJED FC(F)(F)c1ccc(CNN=Cc2cc3ccccc3o2)cc1 915972739 TZRKVPHVJYGQLE-UHFFFAOYSA-N 318.298 4.575 30 20 DJED O=C(/C=C\c1ccc(Br)cc1)c1ccc(F)c(F)c1 916127529 DVAOMAQCBCYUFC-BAQGIRSFSA-N 323.136 4.623 30 20 DJED C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCC1 1124281792 AMXMWEFWDPSRCH-GFCCVEGCSA-N 316.470 4.653 30 20 DJED CC[C@H](C#N)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 1136075697 FTJWEFLCIQPMRX-GFCCVEGCSA-N 314.772 4.621 30 20 DJED CCC(CC)N(Cc1cc(Cl)ccc1OCC#N)CC(C)C 1167562171 IAKGPVLNRWUUFK-UHFFFAOYSA-N 322.880 4.889 30 20 DJED Cc1ccccc1[C@H](C)N1CC=C(c2ccc(C#N)cc2)CC1 1192948267 VZBGODGWQWVUMQ-KRWDZBQOSA-N 302.421 4.717 30 20 DJED COc1cc(CN[C@H](C)c2cccc(C#N)c2)cc2ccccc12 1203666107 YTAHYQZZWMFFDY-OAHLLOKOSA-N 316.404 4.571 30 20 DJED C[C@H](OC(=O)c1ccc(OC(C)(C)C)cc1)c1cccc(C#N)c1 1266016576 JXMMMHDZYBUOTL-AWEZNQCLSA-N 323.392 4.654 30 20 DJED CC(C)c1cccc(Oc2ncc(C#N)cc2Br)c1 1306912236 RCDFOHYGUAGQRO-UHFFFAOYSA-N 317.186 4.631 30 20 DJED CCCOc1ccc(Nc2nc(C#N)c(Cl)s2)c(C)c1 1306940667 XQZUVIUFECLWMO-UHFFFAOYSA-N 307.806 4.509 30 20 DJED N#Cc1nc(N2CCC[C@H]2c2cccc(Cl)c2)sc1Cl 1330621867 NKNCEWMMZTXSRS-LBPRGKRZSA-N 324.236 4.663 30 20 DJED CC1(C)C[C@@]1(C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 1351131309 ZGVROMJBPDREEU-IBGZPJMESA-N 324.811 4.518 30 20 DJED Cc1c([C@H](C)OC(=O)c2ccc(C#N)cc2)sc2ccccc12 1459300087 QWBLYEVEDFFNCR-ZDUSSCGKSA-N 321.401 4.999 30 20 DJED CCC[C@@H](CC)SCC[C@@](C#N)(C(C)=O)c1ccccc1 1473026017 NSHNIWXUTOJCMK-QZTJIDSGSA-N 303.471 4.739 30 20 DJED N#CCC1(CNC2(c3c(Cl)cccc3Cl)CCC2)CC1 1473442084 UMWLSGUIOLBPLI-UHFFFAOYSA-N 309.240 4.656 30 20 DJED CCC(CC)CN(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N 1473574152 UIIYXBHXMSJRRY-CYBMUJFWSA-N 312.379 4.856 30 20 DJED CCN(C(=O)CC1CCCCCC1)c1ccc(C#N)c(Cl)c1 1535605313 KINNEEBYKUMBJK-UHFFFAOYSA-N 318.848 4.925 30 20 DJED CC[C@H]1CN(c2cccc(F)c2C#N)CC[C@H]1c1ccccc1 1559127240 FOPJWGRZEVKGBN-DOTOQJQBSA-N 308.400 4.717 30 20 DJED CC[C@H](c1ccccc1)N(C(=O)c1ccc(C#N)cc1)C(C)C 1588017140 OLYRDRUIBLXCPO-LJQANCHMSA-N 306.409 4.560 30 20 DJED N#Cc1ccccc1N(C(=O)CCC1CCCCC1)C1CCC1 1617588118 ACZFONSGNTUQEM-UHFFFAOYSA-N 310.441 4.804 30 20 DJED CCCCN(Cc1cccc(F)c1C#N)[C@H]1CCC[C@H](C)C1 1621360792 MLLREIFZHKTADF-RDJZCZTQSA-N 302.437 4.878 30 20 DJED N#Cc1ccccc1Oc1ccc(Nc2cncc(Cl)n2)cc1 1639339762 SZSLZBHFKVCDSZ-UHFFFAOYSA-N 322.755 4.538 30 20 DJED CC[C@@H]1C[C@@H](C)CN1Cc1ccc(-c2ccccc2C#N)cc1 1644702023 SGMAQTGKRGWAAE-OXQOHEQNSA-N 304.437 4.846 30 20 DJED Cc1cc(C#N)ccc1CSc1ncc(-c2ccc(F)cc2)[nH]1 1651702620 RGWIAUQVIBJMQI-UHFFFAOYSA-N 323.396 4.688 30 20 DJED CCc1ccc(C2=CCN(Cc3ccc(CC#N)cc3)CC2)cc1 1653983503 IOIBNVCXQUTVLK-UHFFFAOYSA-N 316.448 4.604 30 20 DJED Cc1ccc([C@H]2CCN([C@@H](C)c3ccc(C#N)cc3)C2)c(C)c1 1654361976 DGLYSJGBJCEDNQ-PXNSSMCTSA-N 304.437 4.726 30 20 DJED Cc1ccnc(N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c1C#N 1655424984 LTOAMCHHMIQAED-XHDPSFHLSA-N 318.207 4.537 30 20 DJED CCCc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)s1 1664008519 SCWKFGAHWRPGET-UHFFFAOYSA-N 310.466 4.737 30 20 DJED N#Cc1cccc(/C=C/C(=O)c2ccc3c4c(cccc24)CC3)c1 14180398 DPQWIJSYZUYGEJ-KPKJPENVSA-N 309.368 4.706 30 20 DJED C=CCOc1ccccc1CN[C@H](C)c1ccccc1Cl 34992568 DTDOWCCIAKYCSE-CQSZACIVSA-N 301.817 4.756 30 20 DJED CC(C)Oc1ccccc1NCc1cccc(OCCCC#N)c1 114768158 VQTIIACQASWPKB-UHFFFAOYSA-N 324.424 4.768 30 20 DJED N#CC1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 123660459 TXVIXAONLARVLA-UHFFFAOYSA-N 316.857 4.804 30 20 DJED C=CCC(CC=C)C(=O)Nc1cccc(Oc2ccccn2)c1 151052016 UUQVYXZABYBSHK-UHFFFAOYSA-N 308.381 4.581 30 20 DJED Cc1c(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)oc2ccccc12 205512001 MZKLTCRPQMOALU-KTKRTIGZSA-N 307.305 4.546 30 20 DJED C=CCCO[C@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 281230640 SCLSBPIBOACAOC-MRVPVSSYSA-N 322.619 4.567 30 20 DJED N#Cc1ccc(N2CC=C(c3ccc(F)cc3)CC2)cc1Cl 303463707 MEAMEIMBATYWQK-UHFFFAOYSA-N 312.775 4.644 30 20 DJED Cc1cc(C)c2nc(N=C(O)C[C@@H]3CCC(=O)[C@@H]3C)sc2c1 330001011 XLGZHAHBURZMKS-NEPJUHHUSA-N 316.426 4.506 30 20 DJED N#CC1(CCN2CCC[C@H](CC(F)(F)F)C2)CCCCC1 420950771 QELQUGDHHVNNJX-CQSZACIVSA-N 302.384 4.515 30 20 DJED CC(C)c1ccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1 425122062 CQPPZYFWCIBGFS-OAHLLOKOSA-N 306.409 4.515 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(C(F)F)cc1 425363046 AAQUSQUSCFXHIX-CYBMUJFWSA-N 300.352 4.689 30 20 DJED Cc1cccc(NC(=O)[C@H](C)S[C@H](C)c2cccc(C#N)c2)c1 443151853 BVCPDAVBESPORR-CABCVRRESA-N 324.449 4.688 30 20 DJED CC#CCCCC(=O)N(Cc1ccccc1F)c1ccccc1 464539111 TXIJYNXBYSYMBN-UHFFFAOYSA-N 309.384 4.553 30 20 DJED C[C@@H](C#N)C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1 472205562 LAVSTQKTGOOXET-NSHDSACASA-N 316.813 4.589 30 20 DJED COc1cc(COc2cc(Cl)ccc2C#N)ccc1SC 474335741 XMOIQRVEAMZQLD-UHFFFAOYSA-N 319.813 4.521 30 20 DJED CCc1cccc(CC)c1NC(=O)C[C@@H](CC#N)c1ccccc1 475029152 NAWYODIDYFOZCB-LJQANCHMSA-N 320.436 4.837 30 20 DJED C=CCC(CC=C)C(=O)N[C@H](C)c1cc2cccc(F)c2o1 475083096 HSHZVBMWCQPMIH-GFCCVEGCSA-N 301.361 4.518 30 20 DJED C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 488867804 XXHRBGLZWJKHLC-VHDGCEQUSA-N 324.251 4.664 30 20 DJED CCN(Cc1cn2ccccc2c1C#N)[C@H](C)c1ccc(F)cc1 505777265 NYTRVKLDNLZOQQ-OAHLLOKOSA-N 321.399 4.533 30 20 DJED CCOc1ccc(C#N)cc1N[C@@H](C)c1ccc(Cl)cc1 512919178 XLMNWONJJSEXOZ-LBPRGKRZSA-N 300.789 4.783 30 20 DJED C[C@@H](N[C@H]1CC(C)(C)c2ccccc21)c1ccc(C#N)c(F)c1 538509094 YHOSNQUKOBGJFA-YJYMSZOUSA-N 308.400 4.771 30 20 DJED CC(C)[C@H](NCCC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 538514400 BSRXMBMGUZUTSY-HNNXBMFYSA-N 312.379 4.932 30 20 DJED Cc1csc(-c2cccc(NCc3ccc(CC#N)cc3)c2)n1 541305044 ZQJPFCUFDAACPR-UHFFFAOYSA-N 319.433 4.797 30 20 DJED C=CCC[C@H](CC)Nc1cccc2c1CN(c1nccs1)C2 547312945 RZDMBYVJRBMBGK-HNNXBMFYSA-N 313.470 4.820 30 20 DJED CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 548617079 BXANPRLGNVECHR-HNNXBMFYSA-N 318.848 4.500 30 20 DJED N#Cc1cc(C(=O)Nc2ccccc2-c2cccs2)ccc1F 551207236 VNTWUIQSMDVXQN-UHFFFAOYSA-N 322.364 4.678 30 20 DJED C=CCC[C@H](NCCCCc1nc(C)cs1)c1ccco1 552045094 YAGZHZWHFBHUQQ-HNNXBMFYSA-N 304.459 4.664 30 20 DJED C=C(C)CN(Cc1ccccc1)Cc1ccc(C(F)(F)F)cn1 556533605 FOELNWPGQBDKLH-UHFFFAOYSA-N 320.358 4.679 30 20 DJED C[C@@H](NCC1(C#N)CC1)c1ccccc1-c1ccc(Cl)cc1 566754308 BEELKLYZCROQGL-CQSZACIVSA-N 310.828 4.961 30 20 DJED CC(C)(CCC#N)CN[C@@H]1CCc2cc(Cl)cc(Cl)c21 588232178 NBVSCWWRPWDTMC-CQSZACIVSA-N 311.256 4.900 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)C1CCC=CCC1 602094719 DNKDBRJJOGDVFY-AWEZNQCLSA-N 314.454 4.623 30 20 DJED CC(C)(C)CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609064350 PMJVZCFDRCEFPI-UHFFFAOYSA-N 322.408 4.512 30 20 DJED Cc1ccc(-c2ncco2)cc1N[C@H](C)c1cccc(C#N)c1 611483281 FBSVOCYQEFXWKX-CQSZACIVSA-N 303.365 4.695 30 20 DJED Cc1cc(F)ccc1-c1ccc(CN2CCC[C@@](C)(C#N)C2)o1 612405949 FODKSFSUWQVJEG-IBGZPJMESA-N 312.388 4.520 30 20 DJED CC[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cc(C)ccc1OC 618806071 NRSHKKFQBODTKF-WOJBJXKFSA-N 320.436 4.604 30 20 DJED Cc1oc(C(C)C)cc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 671746182 UOUKBQHUASBQPV-INIZCTEOSA-N 318.376 4.750 30 20 DJED CCCOc1ccc(/C=C2/Cc3c(C)cccc3C2=O)cc1OC 729151075 ONOUYWJIJYGLFQ-WJDWOHSUSA-N 322.404 4.615 30 20 DJED CC(Cc1cccs1)=NNc1cccc(Br)c1 729635272 LDSJQCVQBBXUKD-UHFFFAOYSA-N 309.232 4.541 30 20 DJED CC[C@H](c1ccccc1)N(CC)Cc1ccc(OCC#N)cc1 731211773 AGGYAMRGJRSZFH-HXUWFJFHSA-N 308.425 4.562 30 20 DJED C=CC[C@H](NC(=O)N[C@@H](CCC)c1ccccc1)c1ccncc1 734653805 KNBAXMBJDVVMTK-OALUTQOASA-N 323.440 4.539 30 20 DJED Oc1ccc2ccccc2c1/C=N\[C@H]1CSc2ccccc21 735415252 RJYDLYOTQNGRFY-BCUAHEQISA-N 305.402 4.811 30 20 DJED CC1(C)Cc2cccc(/C=C\C(=O)c3c[nH]c4ccccc34)c2O1 737442406 ARFCEZGLYDKGCM-KHPPLWFESA-N 317.388 4.778 30 20 DJED CC(=NNc1ccc(F)cc1F)c1ccc(-c2ccncc2)cc1 745193159 HJHUJFOQELLBCC-UHFFFAOYSA-N 323.346 4.863 30 20 DJED Cc1ccc2cc(C(=O)/C=C/c3cnc4cccc(C)n34)oc2c1 754828709 HUHNDXLUJQPROC-CMDGGOBGSA-N 316.360 4.593 30 20 DJED N#Cc1ccccc1/C=C1\CSc2c(Cl)cccc2C1=O 755595626 ZRWRZMKLQKQJPT-MDWZMJQESA-N 311.793 4.584 30 20 DJED CC(C)n1c(-c2ccc(O[C@@H](C)C#N)cc2)nc2ccccc21 758455102 RWQKQGBODVABSY-AWEZNQCLSA-N 305.381 4.575 30 20 DJED C=C[C@H](CC(=O)OCc1nc2ccccc2s1)c1ccccc1 758919411 FVCDMERUFFLZAI-CQSZACIVSA-N 323.417 4.699 30 20 DJED Cc1cccc2c1C/C(=C/c1nc3ccc(F)cc3s1)C2=O 761479183 XPHRMYQHHMTYFK-FLIBITNWSA-N 309.365 4.566 30 20 DJED C#CCCCCC(=O)N(Cc1ccco1)c1ccc(C)c(C)c1 773362715 RDWCIROVVQRIAY-UHFFFAOYSA-N 309.409 4.623 30 20 DJED C=CCSc1ccccc1C(=O)N[C@H](C)c1ccc(C)s1 776800029 BMLNXHBUUIRFGG-CYBMUJFWSA-N 317.479 4.826 30 20 DJED N#CC[C@@H](CC(=O)OCc1ccc(Cl)s1)c1ccccc1 795986763 RLBMYGKYTAUQCN-ZDUSSCGKSA-N 319.813 4.532 30 20 DJED N#Cc1ccccc1-c1ccc(COC(=O)c2ccsc2)cc1 818058396 IDDAHKNXWHLWPS-UHFFFAOYSA-N 319.385 4.644 30 20 DJED N#C[C@H](C(=O)CCCC1CCCCC1)c1nc(C2CC2)cs1 842938398 JMZILNBWZPNOFF-OAHLLOKOSA-N 316.470 4.947 30 20 DJED C=CC[C@@H](c1ccccc1)c1nc(-c2ccc(F)c(F)c2)no1 904368600 GTLMHHJRGAQRTE-AWEZNQCLSA-N 312.319 4.723 30 20 DJED CCCCCCCC(=O)Nc1ccc(-c2coc(C)n2)cc1 913136099 DUCOIFJWTVNHJU-UHFFFAOYSA-N 300.402 4.949 30 20 DJED CC(=NNc1ncccc1C(F)(F)F)c1ccc(C)cc1C 915050131 FHQYQVSENCTNJT-UHFFFAOYSA-N 307.319 4.553 30 20 DJED C[C@H](CC(=O)Nc1sc2c(c1C#N)CCCC2)CC(C)(C)C 1124369524 WAMVOUORMLPMQB-GFCCVEGCSA-N 318.486 4.899 30 20 DJED N#CCc1ccc(CN2CC=C(c3ccc(Cl)cc3)CC2)cc1 1191822401 VUSJTXFIDDRNGZ-UHFFFAOYSA-N 322.839 4.695 30 20 DJED Cc1c([C@H](C)OC(=O)[C@@]2(C#N)CC23CCCC3)oc2ccccc12 1269119553 XKEVXZGTYWSDSW-XOBRGWDASA-N 323.392 4.820 30 20 DJED CC(=NNc1ccccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 1318441755 XDJQRVXLUSPPIK-UHFFFAOYSA-N 324.167 4.738 30 20 DJED C=C[C@H](Cc1nnc(-c2ccc(CC)cc2)o1)c1ccccc1 1322053755 ZFQXCCMPDFIESK-MRXNPFEDSA-N 304.393 4.811 30 20 DJED CC(C)Cc1cccc([C@H](C)NCc2cccc(OCC#N)c2)c1 1340989179 COJPHTMUKPNXCF-KRWDZBQOSA-N 322.452 4.638 30 20 DJED CCc1ccc(-c2nnc(-c3ccc(C(C)(C)C#N)cc3)o2)cc1 1348919428 PQYLEDYETSEGPH-UHFFFAOYSA-N 317.392 4.767 30 20 DJED Cc1ccccc1[C@H](Nc1cncc(C#N)n1)[C@H]1CCC[C@@H](C)C1 1458174000 VNQOWFLWEQLQOY-PTSWNOGYSA-N 320.440 4.636 30 20 DJED CC(C)c1ccc(C[C@H](C)Nc2ccc(Cl)c(C#N)n2)cc1 1458259415 BEUBYZNSCGUUKT-ZDUSSCGKSA-N 313.832 4.773 30 20 DJED CCOc1ccc(C#N)cc1NCc1cc(C)cc(Cl)c1 1461565957 VAQSFYKZUJUKJC-UHFFFAOYSA-N 300.789 4.531 30 20 DJED CSc1c(F)cccc1NC1CC(C#N)(c2ccccc2)C1 1474623749 AFEGDOHFLDTXJL-UHFFFAOYSA-N 312.413 4.583 30 20 DJED C[C@H](CCC(C)(C)C)C(=O)N(c1ccccc1C#N)C1CCC1 1532033603 OUWDNDVPGOPIGC-OAHLLOKOSA-N 312.457 4.906 30 20 DJED CC(C)CCN(CCC#N)CCSc1ccc(Cl)cc1 1559578830 UNJFWXDLPFTKOD-UHFFFAOYSA-N 310.894 4.694 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)Nc1ccc(OC)c(C#N)c1 1597525679 XVXJTOJBOQKEPH-HNNXBMFYSA-N 314.429 4.502 30 20 DJED CCN(Cc1ccc(CC#N)cc1)c1ccc(Cl)cc1F 1617532200 MNLZHKMMJCSLCJ-UHFFFAOYSA-N 302.780 4.572 30 20 DJED N#CCC1(CN[C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 1621294582 JWRQUBKMLPXJPF-RDJZCZTQSA-N 302.849 4.650 30 20 DJED Cc1cccc(-n2ccnc2S[C@H](C)c2ccc(C#N)cc2)c1 1640732022 JIJLKKZWGCYYRW-OAHLLOKOSA-N 319.433 4.906 30 20 DJED N#Cc1nnc2ccccc2c1N[C@H](C1CCCCC1)C1CCC1 1642848834 SEDYZGDDYPMVJH-LJQANCHMSA-N 320.440 4.662 30 20 DJED CCN(Cc1ccc(F)cc1C#N)c1cccc(C(F)(F)F)c1 1643534969 VWDIIJFRVRTYDS-UHFFFAOYSA-N 322.305 4.743 30 20 DJED CC(C)CCOc1ccccc1CNC1CCC(C)(C#N)CC1 1649199838 RIBAXTMNFOKDLK-UHFFFAOYSA-N 314.473 4.674 30 20 DJED N#Cc1cnc(N[C@@H](c2ccc(Cl)cc2)C2CCC2)c(F)c1 1651502905 AQYYNXFZVOGQGZ-MRXNPFEDSA-N 315.779 4.699 30 20 DJED N#C[C@@H](c1ccccc1)N1CCc2c(ccc(Cl)c2Cl)C1 1652411263 WZJGGHBPMKRMRL-INIZCTEOSA-N 317.219 4.616 30 20 DJED C=C(CNC(=O)Nc1ccc(C)cc1OCCC)c1ccccc1 1658424290 DWOOZQYUTVHGTM-UHFFFAOYSA-N 324.424 4.619 30 20 DJED Cc1cc(CN2CC[C@@](C)(CCc3ccccc3)C2)ccc1C#N 1663767656 MKGQHZBTDANSCN-JOCHJYFZSA-N 318.464 4.712 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCCC[C@H]1C(C)(C)C 1669600398 IFFBNCBZBHXITI-CVEARBPZSA-N 313.445 4.593 30 20 DJED C=CC[C@]1(C(=O)O)CCCN([C@@H](C)c2cccc3ccccc23)C1 1776154002 RAPVKPKLNVGLEV-KKSFZXQISA-N 323.436 4.644 30 20 DJED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccccc1F 29488008 STFCLOCCJAASOL-UHFFFAOYSA-N 316.335 4.617 30 20 DJED C=CCn1c(C)nnc1S[C@@H](C)c1ccc2ccccc2c1 59832536 FUPDVBFCLXZLBC-ZDUSSCGKSA-N 309.438 4.779 30 20 DJED O=C1/C(=C/c2cccc(C(F)(F)F)c2)CCc2cc(O)ccc21 60340079 ZYDOZGSNVIVZAP-MDWZMJQESA-N 318.294 4.624 30 20 DJED CCC(CC)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 76606899 HTBMKSGBPDOELX-LLVKDONJSA-N 306.818 4.562 30 20 DJED CC[C@H](Nc1snc(Cl)c1C#N)c1ccc(F)cc1F 77987141 ANCMZTZVLZPRRA-NSHDSACASA-N 313.760 4.510 30 20 DJED CC[C@H](Nc1nc(C(F)(F)F)ccc1C#N)c1cccs1 94267122 OGPHDKBQJOPHCF-JTQLQIEISA-N 311.332 4.597 30 20 DJED CCCCCCC[S@](=O)Cc1csc(-c2ccco2)n1 132669926 ZNYUWISEBFALJU-HXUWFJFHSA-N 311.472 4.622 30 20 DJED C[C@@H](c1ccccc1F)N(C)Cc1ccc(C#N)cc1Cl 162902066 IOGLDXRUPDOYAF-LBPRGKRZSA-N 302.780 4.544 30 20 DJED N#CCC[C@H](Nc1ccnc2cc(F)ccc12)c1ccccc1 164320352 CCLWRHCVYIAXFB-KRWDZBQOSA-N 305.356 4.831 30 20 DJED C[C@@H](NCc1cccc(C#N)c1)c1ccc(SC(F)F)cc1 175002730 LJBHKXMKWCPGLF-GFCCVEGCSA-N 318.392 4.724 30 20 DJED C[C@H](NCCCCC#N)c1ccc(Cl)c(Cl)c1Cl 178641106 FVMFPEIHZYUBCX-VIFPVBQESA-N 305.636 4.991 30 20 DJED COc1ccc2oc([C@@H](C)NCCCC(C)(C)C#N)c(C)c2c1 184321352 DZNYYVMLLFTSKZ-CQSZACIVSA-N 314.429 4.730 30 20 DJED C=CCC[C@H](N[C@H](C)c1cc(OC)ccc1O)c1ccccc1 186141657 APBOAOPRVBPDRM-BEFAXECRSA-N 311.425 4.759 30 20 DJED COc1ccc(/C=C2/Cc3ccccc3C2=O)cc1OCC(C)C 213896282 QBGFWRGVBQIFRQ-YVLHZVERSA-N 322.404 4.552 30 20 DJED COc1ccc(C(=O)/C=C/c2ccc(OC(C)C)cc2)c(F)c1 302959254 PVMZXNQQLCPTKW-IZZDOVSWSA-N 314.356 4.518 30 20 DJED CC1(C)CCc2ccccc2[C@@H]1/N=C(/O)c1ncoc1C1CC1 328893466 AFJOICWBPJGFHB-KRWDZBQOSA-N 310.397 4.570 30 20 DJED Cc1ccc(C(F)(F)F)cc1NCc1ccc(CC#N)cc1 398978180 ZWBANXCGMIWWNX-UHFFFAOYSA-N 304.315 4.692 30 20 DJED CC(C)(C#N)CCOc1ccccc1OCc1cccc(F)c1 410296540 MHGRMMPKVASPQD-UHFFFAOYSA-N 313.372 4.723 30 20 DJED C=CC[C@H]1N(C(=O)Nc2cccc(F)c2F)CCCC1(C)C 445245772 WBOSNXUJLOPRMB-CQSZACIVSA-N 308.372 4.563 30 20 DJED N#C[C@@H]1CCC[C@H](NC2CCC(c3ccc(F)cc3)CC2)C1 446758132 GDSGPJFXGIVWEC-LEDLJOFTSA-N 300.421 4.524 30 20 DJED CC[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1SC[C@@H](C)C#N 448937195 KPQYWCGUSFFICO-RRFJBIMHSA-N 316.470 4.703 30 20 DJED CC[C@H](Cc1ccc(Cl)cc1)NC1CCC(C)(C#N)CC1 449143950 ROETXOGPZGQTAC-WWDZGPRUSA-N 304.865 4.723 30 20 DJED C=CC[C@@H]1N(C(=O)[C@H](CC)CC(F)(F)F)CCCC1(C)C 451215584 JAHPRPDJEBNEQF-OLZOCXBDSA-N 305.384 4.558 30 20 DJED C=C(C)[C@@H](N[C@@H](CC)c1ccncc1)c1ccc(F)c(F)c1 453195523 KMVICJHHOPPNLQ-ZWKOTPCHSA-N 302.368 4.718 30 20 DJED C[C@@H]1CCC[C@H](CC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 464934768 DVUWVPVMGZDRLJ-LCLWPZTBSA-N 324.468 4.501 30 20 DJED CC#CCCCC(=O)N1CCCC[C@@H]1CCCc1ccccc1 466652492 XOFCBSKIZMSBJM-HXUWFJFHSA-N 311.469 4.584 30 20 DJED Cc1ccc(Oc2ccc(NC(=O)CC(C)(C)C#N)cc2)cc1 477695489 SQMTYTGDGDFIFI-UHFFFAOYSA-N 308.381 4.666 30 20 DJED C[C@H]1CC(C)(C)N(C(=O)c2ccc(CC#N)cc2)c2ccccc21 479351748 WJGLNPOULMBGLU-HNNXBMFYSA-N 318.420 4.685 30 20 DJED CC(C)n1ccc(NCc2ccc(-c3ccccc3C#N)cc2)n1 480280562 GOTVITPMXLDPRY-UHFFFAOYSA-N 316.408 4.615 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1cc(Cl)c(Cl)cc1OC 485892414 XERMHBLVIAMYNY-CQSZACIVSA-N 302.201 4.543 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)Nc1ccc(CC#N)cc1 486054398 QCNDUILKAAZSOK-RDJZCZTQSA-N 318.420 4.681 30 20 DJED N#Cc1ccc(F)c(CNc2ccccc2N2CCCCCC2)c1 486515106 GETXJTLYURSJKU-UHFFFAOYSA-N 323.415 4.690 30 20 DJED N#Cc1ccc(CC(=O)N(c2ccsc2)C2CCCCC2)cc1 487253247 KQSUBMYSEQZXMJ-UHFFFAOYSA-N 324.449 4.528 30 20 DJED C=CC[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 487654389 RECYPIKZUATHKH-INIZCTEOSA-N 310.784 4.510 30 20 DJED Cc1cccc(C(C)C)c1NC(=O)N1CCC(CCC#N)CC1 521432314 XOKJMADKKWUKQK-UHFFFAOYSA-N 313.445 4.666 30 20 DJED C=CCCC[C@@H](C)NC(=O)N1CCc2sccc2[C@H]1CC 538367013 VVRDDPXUCIOAKH-UKRRQHHQSA-N 306.475 4.512 30 20 DJED N#Cc1c(F)cccc1Nc1ccc2nc(C(F)F)sc2c1 553727674 JFJSIFJHCPINBB-UHFFFAOYSA-N 319.311 4.988 30 20 DJED N#CCc1cccc(C(=O)Nc2cccc(-c3ccccc3)c2)c1 561669232 ZXQRSNWNNOYJPJ-UHFFFAOYSA-N 312.372 4.672 30 20 DJED C=CCOc1ccc(CN[C@H](CCC)c2ccsc2)cc1 565849403 LNAQUHDDQZCAHL-GOSISDBHSA-N 301.455 4.944 30 20 DJED N#CCc1ccc(CNC2(c3ccc(Cl)cc3)CCC2)cc1 566928907 AKRGOOWTTLAITE-UHFFFAOYSA-N 310.828 4.575 30 20 DJED C[C@H](NCc1ccc2sccc2c1)c1ccc(C#N)cc1F 570438662 JHSZJJUKVVCCHH-LBPRGKRZSA-N 310.397 4.763 30 20 DJED N#Cc1ccc(C(=O)Nc2ccc(NC3CCCCC3)cc2)cc1 604537877 LXXQUSPWPJRFET-UHFFFAOYSA-N 319.408 4.555 30 20 DJED CCCN(CCCCC#N)[C@@H](C)c1ccccc1Br 608832485 YJFNZQLERWTEQB-AWEZNQCLSA-N 323.278 4.916 30 20 DJED CC(C)(C)OCc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1 610613379 ZFEVDLBYYDKGGM-UHFFFAOYSA-N 323.396 4.517 30 20 DJED C=CCN(C(=O)Nc1ccc(Oc2ccccc2)cc1C)C1CC1 678532149 DKCKCZWWWWMXQZ-UHFFFAOYSA-N 322.408 4.970 30 20 DJED C#Cc1cccc(N(C)C(=S)Nc2ccc3ccccc3c2)c1 728448170 LRCLDDOOQPDZKM-UHFFFAOYSA-N 316.429 4.654 30 20 DJED C=CCCCCCN(C)C(=S)N[C@@H](CC)c1cccs1 739459492 PYXRNAFPSPCSTH-AWEZNQCLSA-N 310.532 4.752 30 20 DJED C[C@@H]1Sc2sccc2C(=O)/C1=C\c1cccc(F)c1F 742437052 QQHRGMYPIXZLML-CLUBXZQOSA-N 308.374 4.787 30 20 DJED CCc1ccc(C(=O)/C=C/c2coc(-c3ccc(C)cc3)n2)o1 752238513 VCAQUYQHGXGWAF-CSKARUKUSA-N 307.349 4.702 30 20 DJED CC(C)c1nc(C(=O)/C=C/c2ccc3ncccc3c2)cs1 756622359 OFLXTFCPFFRFJR-SOFGYWHQSA-N 308.406 4.711 30 20 DJED C[C@H](NCc1ccc(C#N)cc1)c1ccc(-c2ccccc2)o1 765015972 TUTDOIVUQIDHKB-HNNXBMFYSA-N 302.377 4.669 30 20 DJED C#CC[C@H](N[C@H](CC)c1ccc(OC)c(OC)c1)c1ccccc1 773114932 KYOVRTYMMDGYMT-MOPGFXCFSA-N 323.436 4.509 30 20 DJED CC(C)CN(CCC#N)C(=O)CCCc1ccc2ccccc2c1 775676364 RPRFRSHXECJBPX-UHFFFAOYSA-N 322.452 4.561 30 20 DJED O=C(/C=C/c1ccc(O)c(Cl)c1)c1c(F)cccc1Cl 809159273 MFQPFWOTYMLIRX-FNORWQNLSA-N 311.139 4.734 30 20 DJED CC(CCc1ccccc1)=NNc1ncnc2sc(C)c(C)c12 916309135 GYGARGVXKPMJIC-UHFFFAOYSA-N 324.453 4.729 30 20 DJED CCCC[C@H](C(=O)[C@@H](C#N)c1nc(C(C)C)cs1)C(C)C 1122734667 DSROAEWAZKNNSY-UONOGXRCSA-N 306.475 4.905 30 20 DJED CC(C)C[C@H](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 1124215736 LJFZXNVHEKXLMB-ZDUSSCGKSA-N 318.486 4.899 30 20 DJED C[C@H](OC(=O)CC(C1CCC1)C1CCC1)c1ccc(C#N)cc1 1126713201 SHFHKOTXDUZGIN-AWEZNQCLSA-N 311.425 4.769 30 20 DJED Cc1c(C(=O)O[C@H]2CCC[C@H](C#N)C2)oc2ccc(Cl)cc12 1129608254 BNETWSRMIUDQOF-AAEUAGOBSA-N 317.772 4.634 30 20 DJED C[C@H](Nc1nc(C(C)(C)C)ccc1C#N)c1c(F)cccc1F 1164185626 OHNNYSHFTUHSBS-NSHDSACASA-N 315.367 4.702 30 20 DJED N#Cc1ccc(F)cc1CSc1ccc(Cl)cc1C#N 1165754489 GLDCEVJTSWNMKL-UHFFFAOYSA-N 302.761 4.515 30 20 DJED CCCc1c(N[C@H]2CCC[C@@H](C#N)C2)cnn1-c1cccc(C)c1 1181337800 TXRPJTGDDVSYHI-SJORKVTESA-N 322.456 4.628 30 20 DJED CCN(CCc1ccccc1)Cc1ccccc1C(C)(C)C#N 1190356302 KYXIORXNRNWYNP-UHFFFAOYSA-N 306.453 4.552 30 20 DJED N#Cc1ccc(CSc2ccc(C#N)c(C(F)(F)F)c2)s1 1307323773 HEYWMDWBVIFGRS-UHFFFAOYSA-N 324.352 4.803 30 20 DJED Cc1cc(-n2ccnc2)ccc1CSCCCC(C)(C)C#N 1320686450 FHWYIWAMOZYEBY-UHFFFAOYSA-N 313.470 4.744 30 20 DJED CC(C)[C@@H](CCc1ccccc1)Nc1ccc(OCC#N)cc1 1341858203 WDPDSMJIFKEQMF-HXUWFJFHSA-N 308.425 4.658 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2sc3ccc(F)cc3c2C)c1 1436706928 SIFPVMCPCGTPLS-UHFFFAOYSA-N 324.380 4.781 30 20 DJED CCCC1CCC(N(C)C(=O)Nc2cc(C)cc(C#N)c2)CC1 1466839657 PBVAPKUYOUKMHI-UHFFFAOYSA-N 313.445 4.689 30 20 DJED C[C@H](CSc1cccnc1C#N)c1ccc(C(F)(F)F)cc1 1473031370 UHKNOKXTYMJAII-LLVKDONJSA-N 322.355 4.868 30 20 DJED C[C@@H]1CCN(Cc2cccc(F)c2C#N)c2ccccc2S1 1474520783 CBOJHOAEMSPEMP-CYBMUJFWSA-N 312.413 4.588 30 20 DJED N#Cc1ccc(C(=O)Nc2ccc(C3CCC3)cc2)cc1Cl 1519823509 HGOZKQCPHULXOH-UHFFFAOYSA-N 310.784 4.731 30 20 DJED CCCc1sc(C(=O)Nc2ccc(F)c(C#N)c2)cc1CC 1536914010 ZKSJDKVMSZIXOX-UHFFFAOYSA-N 316.401 4.526 30 20 DJED CSc1cc(C)c(C(=O)Nc2cc3ccccc3cc2C#N)o1 1583717691 SILXUIJUUPNCFL-UHFFFAOYSA-N 322.389 4.587 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2coc3ccc(Cl)cc23)c1 1597281614 YYMNPOQDLVHUJY-UHFFFAOYSA-N 310.740 4.519 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2CCC[C@H]2c2ccc(F)cc2)n1 1611766364 MWKCUQSBEOZNNY-KRWDZBQOSA-N 323.415 4.731 30 20 DJED CC(C)(C#N)CCN1CCC(C)(c2ccc(Cl)cc2)CC1 1617719647 JDIQTDHSNIQMHD-UHFFFAOYSA-N 304.865 4.633 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1coc(-c2ccccc2)n1 1641217966 SFPICQISBKJOOK-UHFFFAOYSA-N 324.767 4.754 30 20 DJED CCCCN(Cc1ccc(C#N)cc1OC)C1CCCCC1 1645887050 ILFJNIPQGBZSCL-UHFFFAOYSA-N 300.446 4.502 30 20 DJED C[C@@H](CCC#N)CN1Cc2ccccc2[C@H](c2ccccc2)C1 1658301802 VRKVOOILFUNKNO-UWJYYQICSA-N 304.437 4.574 30 20 DJED Cc1cc(N[C@@H]2CCC[C@H](C#N)C2)cc(C)c1Br 1659107140 URPXEQCBECPVEW-QWHCGFSZSA-N 307.235 4.560 30 20 DJED CCCC[C@H](CCC)CNC(=O)Nc1cc(C#N)ccc1C 1675080344 XVHQXVNCFNQRPQ-HNNXBMFYSA-N 301.434 4.595 30 20 DJED C=CCOc1ccc(CN[C@H](C)c2ccccc2Cl)cc1 20015716 FOWAEJHFKRJXQJ-CQSZACIVSA-N 301.817 4.756 30 20 DJED CCCCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 56470017 AFIRGIQPPRZTKV-UHFFFAOYSA-N 308.381 4.788 30 20 DJED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)oc1C 128812635 JCTTYYGREWZOKG-AWEZNQCLSA-N 322.389 4.510 30 20 DJED CC[C@@H](CC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccccc1 153343090 MRXQBMXYDUWUHP-PXNSSMCTSA-N 320.436 4.732 30 20 DJED CC[C@H](CC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccccc1 153343206 MRXQBMXYDUWUHP-XLIONFOSSA-N 320.436 4.732 30 20 DJED CCCC(C#N)(CCC)NC(=O)c1cc(SC)ccc1Cl 171661499 IIBZRNDCOCCLAH-UHFFFAOYSA-N 324.877 4.654 30 20 DJED CC[C@@H](NCc1ccc(F)cc1C#N)c1cccc(Cl)c1 182600814 PYQFQQCWSZQOPR-QGZVFWFLSA-N 302.780 4.592 30 20 DJED C[C@H](NC[C@@H](c1ccccc1)C(F)(F)F)c1ccc(C#N)cc1 186840919 PFMQBRMKAIVCEN-GUYCJALGSA-N 318.342 4.555 30 20 DJED CC(C)c1noc([C@@H](C)S[C@@H](C)c2cccc(C#N)c2)n1 190787679 NHCRZEMFRUIZSZ-NWDGAFQWSA-N 301.415 4.620 30 20 DJED C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 193046656 IGXQHTUQGRVKDG-WMLDXEAASA-N 313.445 4.530 30 20 DJED C[C@H]1C[C@@H](Nc2cccc(OCC#N)c2)c2ccsc2S1 216887125 YAHYMOCTDHMZTQ-XHDPSFHLSA-N 316.451 4.688 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1ccc(Cl)cc1 277476110 WKOZKZHUHBQVPH-INIZCTEOSA-N 311.853 4.633 30 20 DJED CCc1nc(Oc2ccc(C#N)cc2Cl)c2ccsc2n1 301816094 GZYODWHSTYLVRN-UHFFFAOYSA-N 315.785 4.571 30 20 DJED CC1(C)CCC(C(=O)Nc2ccc(Cl)cc2CC#N)CC1 410972782 VFGSSEHDHZGETD-UHFFFAOYSA-N 304.821 4.561 30 20 DJED C=CC[C@H](Cc1ccccc1)NC(=O)Nc1c(C)cccc1C 413827767 SVKJAXFRGOEHSE-GOSISDBHSA-N 308.425 4.612 30 20 DJED C=CCCCCNC(=O)Nc1cc(-c2cccnc2)ccc1C 432792719 LUJUYASOECJAKX-UHFFFAOYSA-N 309.413 4.535 30 20 DJED CC1(C)CCCN(C(=O)C2CCC(c3ccccc3)CC2)[C@H]1C#N 434030221 GKOZKXXBTMNIQW-ACBHZAAOSA-N 324.468 4.501 30 20 DJED N#C[C@@H]1CC[C@H](N[C@H](c2ccc(Cl)cc2)c2ccsc2)C1 442778788 BZOMIXAUMSPOGA-OAUYIBNBSA-N 316.857 4.773 30 20 DJED CC[C@@H](NCc1nc(C(C)C)c(C)s1)c1ccc(C#N)cc1 447529544 LSRJMDUHOXGSSB-MRXNPFEDSA-N 313.470 4.688 30 20 DJED C=CCN(CCCC1CCOCC1)Cc1ccc(Cl)s1 463301342 PFBCSDCWKAJWQO-UHFFFAOYSA-N 313.894 4.596 30 20 DJED C=CCN(C(=O)CCc1c[nH]c2cc(C)ccc12)c1ccccc1 467107604 SDDYORNZYJEKDC-UHFFFAOYSA-N 318.420 4.628 30 20 DJED N#Cc1cc(CNc2ccc3nc(C4CC4)sc3c2)ccc1F 467757746 LSZCUTKKQAMNLR-UHFFFAOYSA-N 323.396 4.797 30 20 DJED N#C[C@@H](NC(=O)c1ccc(C2CCC2)cc1)c1ccccc1Cl 479105701 OGHBNJFKFUEWNU-GOSISDBHSA-N 324.811 4.602 30 20 DJED C=C(C)CN(C)C(=O)Nc1ccc(C)cc1OCc1ccccc1 481659237 RASWRWKRTKGVQE-UHFFFAOYSA-N 324.424 4.614 30 20 DJED C=CC[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1F)c1ccccc1 487635449 OFYBLCOQTWWXRN-GUYCJALGSA-N 315.363 4.502 30 20 DJED C=CC[C@@H](C(=O)N1CC[C@@H](c2cccc(F)c2)C1)c1ccccc1 488319199 YMTALIIBXOMJTG-UYAOXDASSA-N 323.411 4.502 30 20 DJED C=CCC1(C(=O)Nc2ccc(Oc3ccncc3)c(C)c2)CCC1 489379471 NDJNSSHZRNXDRH-UHFFFAOYSA-N 322.408 4.867 30 20 DJED C=CCOc1cccc(NC(=O)c2cc3cccc(C)c3o2)c1 501176474 GSGYENCVKLXELM-UHFFFAOYSA-N 307.349 4.558 30 20 DJED C=C[C@@H](CC(=O)NC[C@]1(C)C[C@H]1c1ccccc1)c1ccccc1 501669792 NILWUQJBGRPIAU-XJABCFGWSA-N 319.448 4.656 30 20 DJED C[C@@H](C#N)CN(C)Cc1ccc(-c2cccc(Cl)c2Cl)o1 509832881 OXSJRZLRMYBHJV-NSHDSACASA-N 323.223 4.845 30 20 DJED Cc1ccccc1[C@H](c1noc(-c2cc(C#N)oc2C)n1)C(C)C 518258046 PYILAFVMHOEOQV-QGZVFWFLSA-N 321.380 4.606 30 20 DJED C=CCCSCc1csc(-c2ccc(OC)c(OC)c2)n1 524605259 VANGANWCVIZKAX-UHFFFAOYSA-N 321.467 4.637 30 20 DJED COc1ccc(CNc2ccccc2OC2CCCC2)cc1C#N 533210863 XPRNIIZODNFRSM-UHFFFAOYSA-N 322.408 4.500 30 20 DJED CCc1ccccc1C(=O)Nc1cc(C(C)(C)C)sc1C#N 539173659 QYJJXYGFNPOQPO-UHFFFAOYSA-N 312.438 4.732 30 20 DJED C[C@H](CCC(C)(C)C)C(=O)Nc1cc(C#N)ccc1OC(F)F 543466090 YFCWJOCAWQIUDT-LLVKDONJSA-N 324.371 4.561 30 20 DJED Cc1cc(C)nc(Oc2ccc(Oc3ccc(C#N)cc3)cc2)n1 550830514 PZOLCQIXCMTFSW-UHFFFAOYSA-N 317.348 4.550 30 20 DJED C[C@H](C1CC1)n1cc(N[C@@H]2CCCCc3cc(C#N)ccc32)cn1 562315747 JCQBLBNZSHLZPW-JLTOFOAXSA-N 320.440 4.605 30 20 DJED Cc1oc(-c2ccccc2)nc1CSCCC(C)(C)C#N 582568463 CQCHIXQGWPLZER-UHFFFAOYSA-N 300.427 4.823 30 20 DJED CC(C)[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 609639039 NETQPDMGRONAMF-CYBMUJFWSA-N 319.836 4.502 30 20 DJED C=CC[C@H]1CCCN(C(=O)Nc2cccc(SC)c2C)C1 666556872 OFLBPJGMDHLCSB-AWEZNQCLSA-N 304.459 4.537 30 20 DJED C#Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)c1 730742982 XJFFHIUIGMYUBN-NHCUHLMSSA-N 311.384 4.563 30 20 DJED Fc1ccc(NN=Cc2c(Cl)ccc(Cl)c2Cl)nc1 731322193 ZSZILZSKJOHWGB-UHFFFAOYSA-N 318.566 4.627 30 20 DJED CC(CCc1ccccc1F)=NNc1ccc(OC(F)F)cc1 734096151 IQGWOAIJZLFLCZ-UHFFFAOYSA-N 322.330 4.848 30 20 DJED CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(F)c2)cc1 747124193 KZAJTFXANYPKGH-ONNFQVAWSA-N 314.356 4.519 30 20 DJED C=CCN(C(=O)Nc1sc(-c2ccccc2)nc1C)C(C)C 752919686 OMTAUESQGNNEHA-UHFFFAOYSA-N 315.442 4.547 30 20 DJED CC(C)(C#N)c1ccccc1COc1ccc(N2CCCC2)cc1 767827390 JHEUUPRYBKLDLC-UHFFFAOYSA-N 320.436 4.667 30 20 DJED C=CCCC[C@H](C)NC(=O)Nc1cccc(N2CCCCC2)c1 775990407 SADGFFRGJQHDMQ-INIZCTEOSA-N 315.461 4.543 30 20 DJED N#Cc1ccc(SCC(F)(F)C(F)F)cc1C(F)(F)F 782241186 PKSUADOHNJCPPA-UHFFFAOYSA-N 317.229 4.570 30 20 DJED COc1cc(C)c(C(=O)/C=C/c2cc(Cl)cs2)cc1OC 782324745 GFZFMKRVNCCRIR-SNAWJCMRSA-N 322.813 4.623 30 20 DJED Cc1cc(/C=C\C(=O)c2cncs2)ccc1Oc1cccnc1 787172289 VHCVHKGBCAONSP-XQRVVYSFSA-N 322.389 4.535 30 20 DJED C[C@H](Oc1ccc(C(=O)OCCCCC#N)cc1)c1ccccc1 788228680 SXDLLGIUPPVKOW-INIZCTEOSA-N 323.392 4.677 30 20 DJED Clc1cscc1C=NNCc1cccc(Cl)c1Cl 790181077 MSUJGKLBQDLYLX-UHFFFAOYSA-N 319.644 4.832 30 20 DJED C[C@H](OC(=O)c1ccc(C#N)o1)c1ccccc1-c1ccccc1 796803434 LFIOKDPXIRBVME-AWEZNQCLSA-N 317.344 4.736 30 20 DJED CC(C)C[C@@H](C)CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797572385 ZCZDRYNNGUWSIG-OLZOCXBDSA-N 306.475 4.689 30 20 DJED Cc1cc(C(=O)/C=C/c2nc(C(C)C)n3ccccc23)oc1C 799895283 AAMNBEJYXKLSEE-CMDGGOBGSA-N 308.381 4.564 30 20 DJED C[C@H](C#N)OCCS[C@H](C)c1ccc(Cl)c(Cl)c1 801657564 FXUZAENCMGLYFN-NXEZZACHSA-N 304.242 4.716 30 20 DJED N#Cc1sc(SCc2ccccc2C2CC2)nc1Cl 804643662 CMTJCIYKBVLCEN-UHFFFAOYSA-N 306.843 4.838 30 20 DJED CC(C)c1ncc(/C=C2/Cc3cc(F)c(F)c(F)c3C2=O)s1 834455738 OUEAXHFLBLAHBM-WTKPLQERSA-N 323.339 4.506 30 20 DJED Clc1cccc([C@@H]2CCCC(=NOC3CCOCC3)C2)c1 841634947 YXVFRHMXENOQJF-CQSZACIVSA-N 307.821 4.549 30 20 DJED CC(=NN[C@H](C)c1ccccc1)c1ccc2ccccc2c1O 920386082 PPLNPHSHDHGLFG-CQSZACIVSA-N 304.393 4.620 30 20 DJED Cc1ccc(C)c2c1OC/C(=C\c1ccc3cnccc3c1)C2=O 1116815521 PPFMEIXULWLIBS-VCHYOVAHSA-N 315.372 4.510 30 20 DJED CC[C@H]1CCCC[C@@H]1CNc1c(Br)cccc1C#N 1163403332 JFUYACRMGSTCRE-GXTWGEPZSA-N 321.262 4.949 30 20 DJED CC(C)c1cccc2c1CCN([C@@H](C)c1cccc(C#N)c1)C2 1194042258 PWAQYOPTVFYUQS-INIZCTEOSA-N 304.437 4.801 30 20 DJED CC(C)CCN(C(=O)Nc1cc(F)cc(C#N)c1)C1CCCC1 1208346125 MQHOMXYXKQWNLU-UHFFFAOYSA-N 317.408 4.520 30 20 DJED CC[C@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 1264096215 NPBPGBUXOXCFMR-RYUDHWBXSA-N 318.486 4.755 30 20 DJED CCc1ccc(CN(C(=O)CC2(C#N)CCCCC2)C2CC2)cc1 1264417681 VXCRESHHMMGFOG-UHFFFAOYSA-N 324.468 4.604 30 20 DJED CC(C)CCC[C@@H](C)NC(=O)Nc1ccc(C#N)c(Cl)c1 1310044328 PJYKACVRPLHPTK-GFCCVEGCSA-N 307.825 4.548 30 20 DJED C=C(C)CCC(=O)N(CC)[C@@H](c1ccc(C)cc1)c1cccnc1 1336350364 WWWOYWUPTAWPCX-NRFANRHFSA-N 322.452 4.684 30 20 DJED N#C[C@]1(C(=O)OCc2cc(Cl)ccc2Cl)CC12CCCC2 1458865949 UMXDJNFYIPIMPV-INIZCTEOSA-N 324.207 4.511 30 20 DJED Cc1ccc(C#N)cc1C(=O)NC(C)(C)CC1CCCCCC1 1459047525 YDMAJSBJIRAPKR-UHFFFAOYSA-N 312.457 4.736 30 20 DJED C[C@@H](CC(=O)Nc1scc(C(C)(C)C)c1C#N)c1ccco1 1460578870 FMMMEQDHSLOCRA-NSHDSACASA-N 316.426 4.643 30 20 DJED N#CC[C@@H](C(=O)N[C@@H](C1CCCCC1)C1CCC1)c1ccccc1 1461142580 WKBVQYNVJMNTOR-UXHICEINSA-N 324.468 4.549 30 20 DJED CCC1(CC)CCCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 1465520789 NVBLCHDOMLRFFJ-UHFFFAOYSA-N 317.408 4.522 30 20 DJED CC(C)c1ccc(N(C)C(=O)[C@@H](C#N)CCc2ccccc2)cc1 1465827458 MLRSURHZAWOREL-LJQANCHMSA-N 320.436 4.545 30 20 DJED Cc1ccccc1-c1nsc(N[C@H](C)c2cccc(C#N)c2)n1 1472876046 LWTKYISJOPGBGK-CYBMUJFWSA-N 320.421 4.558 30 20 DJED CCC(CC)CN(CCC#N)Cc1ccc(Cl)c(OC)c1 1473204665 XKVVTGGHYULEIN-UHFFFAOYSA-N 308.853 4.500 30 20 DJED C[C@H]1Sc2ccccc2N(Cc2ccc(F)c(C#N)c2)[C@@H]1C 1473245043 WZCRGYFGAPPPKP-CHWSQXEVSA-N 312.413 4.587 30 20 DJED Cc1ccccc1C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@H](C)CC2 1527165328 SUEKYLMOMZBNQP-DGCLKSJQSA-N 324.449 4.866 30 20 DJED CC(C)[C@H]1CCc2ccccc2N1C(=O)CC1(C#N)CCCCC1 1536485843 DKRNPHLTFNOARE-GOSISDBHSA-N 324.468 4.855 30 20 DJED CC(C)(C)c1csc(NC(=O)C2(F)CCCCC2)c1C#N 1544839643 GSFWQODGLQIVFQ-UHFFFAOYSA-N 308.422 4.528 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H]2CCC[C@@H](C)C2)n1 1559352170 CAHKACPPZIZLIC-KOLCDFICSA-N 314.376 4.951 30 20 DJED CC1(C)CCC(C(=O)N(c2ccc(C#N)cc2)C2CCC2)CC1 1586912442 VQCKXRRSCIPJBD-UHFFFAOYSA-N 310.441 4.660 30 20 DJED N#CC[C@@H]1CCCN(Cc2ccc(Oc3ccccc3)c(F)c2)C1 1620412998 JIHGBCKTWIJRJY-INIZCTEOSA-N 324.399 4.744 30 20 DJED N#Cc1cccc(Nc2ccc(Oc3cccc(F)c3)cc2)n1 1642116552 UDJOPYOVPZZSKO-UHFFFAOYSA-N 305.312 4.628 30 20 DJED CCCOc1ccc(Nc2nc(Cl)c(C#N)s2)c(C)c1 1642116830 XWOHHKHKCDAFSG-UHFFFAOYSA-N 307.806 4.509 30 20 DJED C[C@@H]1CCC[C@@H](COc2cc(C#N)ccc2Br)C1 1644150952 VUTUYIHKEVPYLQ-DGCLKSJQSA-N 308.219 4.526 30 20 DJED Cc1c(CN(C[C@H](C)C#N)C2CC2)sc2c(Cl)cccc12 1658438278 ROSBFECFMNYIQH-LLVKDONJSA-N 318.873 4.987 30 20 DJED CCCc1ccc(C(=O)/C=C/c2ccc(/C=C/C(=O)O)cc2)cc1 1776112982 RSRQOMCQWSAOMH-WFYKWJGLSA-N 320.388 4.633 30 20 DJED Cc1cc(C(=O)/C=C\c2ccc(C(=O)O)cc2Cl)c(C)s1 1776133499 YJJRHRLQBVMXMG-WAYWQWQTSA-N 320.797 4.613 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1cc(C)c(C)cc1C 1776784010 ODKOFKYKBPGSFT-IBGZPJMESA-N 319.489 4.905 30 20 DJED N#Cc1cccc(CSc2ncc(-c3ccc(F)cc3)o2)c1 10847442 SXUSOPQJCJXFCL-UHFFFAOYSA-N 310.353 4.645 30 20 DJED CCN(Cc1ccc2ncccc2c1)[C@@H](C)c1ccc(C#N)cc1 119861618 SGKMWVQTNSUMRH-INIZCTEOSA-N 315.420 4.690 30 20 DJED CCc1c(C)sc(NC(=O)c2cccc(Cl)c2F)c1C#N 155581528 ZHTDGPIRMHCHQH-UHFFFAOYSA-N 322.792 4.535 30 20 DJED C[C@H](N[C@@H](C)c1nc(C(C)(C)C)cs1)c1ccc(C#N)cc1 181719069 WLOHMYLGVORDMY-STQMWFEESA-N 313.470 4.724 30 20 DJED CC(C)CC1(C(=O)Nc2ccccc2O[C@@H](C)C#N)CCCC1 182056744 PDAUDGMPTUQHCN-HNNXBMFYSA-N 314.429 4.522 30 20 DJED COc1cccc2c1CCC[C@@H]2N[C@H](CCC#N)c1ccccc1 194935257 ZZVNIRAXLJDIMF-UXHICEINSA-N 320.436 4.707 30 20 DJED O=C(/C=C/c1cccc(OC(F)F)c1)c1c[nH]c2ccccc12 195741301 WRCWOSCTKNQZBL-CMDGGOBGSA-N 313.303 4.665 30 20 DJED Cc1ccc(SCc2ccc(Br)cc2C#N)cc1 311055381 VTPMNMKRACRWJA-UHFFFAOYSA-N 318.239 4.922 30 20 DJED CC1(C)CCC[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 443566739 RVWWOXDMYZUIEJ-INIZCTEOSA-N 313.445 4.578 30 20 DJED CC#CCSc1nnc(-c2ccc(F)cc2)c2ccccc12 463043200 JMBOPPHPFALUFW-UHFFFAOYSA-N 308.381 4.551 30 20 DJED C=C(C)CSCC(=O)Nc1ccccc1Oc1ccccc1 477001275 LQODPNCFXSDEML-UHFFFAOYSA-N 313.422 4.727 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1cc2sc(C)nc2cc1Cl 484677782 JSGMEPTWYDCEFN-OAHLLOKOSA-N 308.834 4.799 30 20 DJED C=C[C@H](CC(=O)Nc1c(C)cc(OC)c(C)c1C)c1ccccc1 515079690 BAZDLXALNXURIP-QGZVFWFLSA-N 323.436 4.919 30 20 DJED CCCC[C@@H](CC)CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 524208311 AEPQVSFMVAGFGL-CZUORRHYSA-N 306.837 4.627 30 20 DJED C=CCCOCCCCC(=O)N1CCCC[C@H]1c1ccccc1 545970260 XQXPFWHQCSLAIT-IBGZPJMESA-N 315.457 4.503 30 20 DJED CC(C)[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 557517108 DONPAURCXGHPPC-LEWJYISDSA-N 304.437 4.923 30 20 DJED CCc1c([C@@H](C)NCc2ccc(C#N)s2)oc2ccccc12 573946338 YKNRHPFCVQHVGV-GFCCVEGCSA-N 310.422 4.779 30 20 DJED Cc1cc(Oc2ccccc2)ccc1NC[C@H](C#N)CCC#N 591773927 DWFFAQUWOAQPMP-INIZCTEOSA-N 305.381 4.643 30 20 DJED C=CCN(CCC#N)C(=O)c1cc(CC)c(-c2ccccc2)s1 594363729 HRUFNNDYKQLHIX-UHFFFAOYSA-N 324.449 4.519 30 20 DJED Cc1cc(Cl)c(NC(=O)CC2(C#N)CCCCC2)cc1C 597713860 KUSFDKYCRAKNEI-UHFFFAOYSA-N 304.821 4.760 30 20 DJED CC(C)c1ccc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1 603525619 RGVGJWGYYUHETG-UHFFFAOYSA-N 320.436 4.732 30 20 DJED CC(C)CCC[C@H](C)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 603744958 PPONOSDUWOUPHF-HNNXBMFYSA-N 315.461 4.824 30 20 DJED C=CC1CCN(C(=O)N[C@@H](c2ccccc2Cl)C(C)C)CC1 604590403 PTOABJPDFSOUJT-QGZVFWFLSA-N 320.864 4.645 30 20 DJED C=CCCS[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 610315500 CCQLPVIXFUFOOD-NSHDSACASA-N 308.834 4.684 30 20 DJED N#Cc1ccc(CN[C@@H]2CCCc3ccc(F)cc32)cc1Cl 619755446 XYCIERDGZPJYHD-GOSISDBHSA-N 314.791 4.518 30 20 DJED CC/C=C(\C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 731331353 CWHCVZULKAJBNH-LHHJGKSTSA-N 306.365 4.645 30 20 DJED C#CCOc1ccc(CN[C@@H](C)c2cccc3ccccc23)cc1 733323370 XAXFVXATHSOITK-KRWDZBQOSA-N 315.416 4.703 30 20 DJED C[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(C)(C)C 734390950 GWUQKFHUDCHUJQ-BEFAXECRSA-N 320.436 4.963 30 20 DJED CC(C)=C(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 751401650 AIRAIKLYUGEPRH-UHFFFAOYSA-N 324.355 4.784 30 20 DJED N#Cc1ccccc1/C=C/C(=O)c1nc(-c2ccccc2)cs1 755592299 HIOMKLOHXAHQSF-ZHACJKMWSA-N 316.385 4.578 30 20 DJED C#CC[C@@H](NCc1cc(Cl)cc(Cl)c1O)c1ccccc1 756997596 YWKBJBSIAYKHAC-MRXNPFEDSA-N 320.219 4.553 30 20 DJED COc1cccc(C(=O)/C=C/c2ccc(C(F)(F)F)s2)c1 761473436 FMTBALFWMHTDSF-FNORWQNLSA-N 312.312 4.672 30 20 DJED CC(CCc1ccsc1)=NNc1nccc2sccc12 764904116 IMSZRBYFGNOBSD-UHFFFAOYSA-N 301.440 4.778 30 20 DJED CCCCCCCCC(=O)N1CCC(Cc2cccnc2)CC1 771311013 OEKROCAOSLKGFC-UHFFFAOYSA-N 316.489 4.613 30 20 DJED CC1CC(C#N)(C(=O)O[C@H](C)c2cc(Cl)ccc2Cl)C1 784200119 GHQUCCOOFQGBJF-KGXJWFGYSA-N 312.196 4.537 30 20 DJED CC(=NNc1cccc([N+](=O)[O-])c1C)C1CCC(F)(F)CC1 788715076 REDVEUPZICDOCG-UHFFFAOYSA-N 311.332 4.517 30 20 DJED CCCCCCCCCCC(=O)N1CC[C@@H](c2ccccn2)C1 798721950 USRNOOVEPGXGGB-GOSISDBHSA-N 316.489 4.928 30 20 DJED CCCCCCC[C@H](C)CN[C@@H]1CCO[C@@H](C(F)(F)F)C1 806130894 DQOBDVPVYVHPOG-RRFJBIMHSA-N 309.416 4.683 30 20 DJED Cc1nn(C)c(Cl)c1/C=C\C(=O)c1ccc(C(C)(C)C)cc1 812489141 NKHAYCKUNXZLGY-KHPPLWFESA-N 316.832 4.576 30 20 DJED C[C@@H](C#N)OCCSCc1ccc(Cl)c(C(F)(F)F)c1 853773545 HQCUHCJKNZYHQD-VIFPVBQESA-N 323.767 4.521 30 20 DJED COc1ccc(/C=C\C(=O)c2ccccc2C)cc1OC(F)F 916155798 BYGAFUWCUQCANT-CLFYSBASSA-N 318.319 4.501 30 20 DJED C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCC1 1124281793 AMXMWEFWDPSRCH-LBPRGKRZSA-N 316.470 4.653 30 20 DJED C[C@@H](NCc1ccc(C#N)c(Cl)c1)[C@@H]1CC2CCC1CC2 1181163582 RXRLPTCVKDRJMI-PSQDLTRKSA-N 302.849 4.516 30 20 DJED CC(C)C[C@H](C)OC(=O)N(CC(C)C)c1ccc(C#N)cc1 1208622002 BSTZWYPPAPRKBW-HNNXBMFYSA-N 302.418 4.592 30 20 DJED CC[C@H](C#N)N(CC)C(=O)[C@H]1CC12CCC(C(C)(C)CC)CC2 1289300052 YZSGIZJYMJRZAD-MUZJZNNISA-N 318.505 4.770 30 20 DJED CC1(CNC(=O)Nc2ccc(C#N)cc2Cl)CCCCCC1 1310422868 DVCCUEKGGDYCCF-UHFFFAOYSA-N 319.836 4.694 30 20 DJED Cc1ccc(C)c2c1OC/C(=C\c1nccc3ccccc13)C2=O 1318782436 JHSIMFSPJCBBAA-LFIBNONCSA-N 315.372 4.510 30 20 DJED C[C@H](NC(=O)CC1(C#N)CCCCC1)c1ccc(Cl)c(F)c1 1347907901 PIDFXMUPLIXKSW-LBPRGKRZSA-N 322.811 4.520 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)[C@@H](C)C3CCC3)c2C#N)[C@H](C)C1 1527031376 ABIHTLGYPUTUCI-TUAOUCFPSA-N 316.470 4.680 30 20 DJED CC(F)(F)c1ccccc1NC(=O)c1ccc(Cl)c(C#N)c1 1533358356 JSUXUFRQYXABGK-UHFFFAOYSA-N 320.726 4.576 30 20 DJED Cc1ccc([C@H]2CCC[C@@H]2OC(=O)c2cc(C#N)ccc2C)cc1 1537897952 VODRMDGOQGZLPV-QUCCMNQESA-N 319.404 4.668 30 20 DJED Cc1c(C#N)cccc1NC(=O)C1=C(c2ccccc2)CCCC1 1544115011 UXUQPVDWIXKZRV-UHFFFAOYSA-N 316.404 4.833 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 1584415125 JVYMQLFBNJQYLC-DJABAAGCSA-N 324.468 4.684 30 20 DJED CCOc1ccc(C#N)cc1NCc1cccc(OC(C)(C)C)c1 1620962412 DDXBAFGYEQMPLC-UHFFFAOYSA-N 324.424 4.746 30 20 DJED COc1ccc(C#N)cc1CS[C@H]1CCCc2ccccc21 1643660473 MASNSJZKHRRUSB-IBGZPJMESA-N 309.434 4.878 30 20 DJED Cc1ccc(C(C)(C)CNc2nc(C(C)(C)C)ccc2C#N)cc1 1651493434 ULODKAVLPBIEOE-UHFFFAOYSA-N 321.468 4.949 30 20 DJED COc1ccc([C@H](C)CSc2ccc(C#N)cc2F)cc1 1656305044 YBMFHHVAFZHBCV-GFCCVEGCSA-N 301.386 4.602 30 20 DJED CCOC(=O)Nc1ccc(NC2CCCCCCC2)cc1C#N 1657733737 IPQUCXZLHMNUFR-UHFFFAOYSA-N 315.417 4.651 30 20 DJED CC(C)CC[C@@H]1CC[C@@H](Nc2ccccc2O[C@@H](C)C#N)C1 1658578181 WYTQBJSHIWDXOA-GVDBMIGSSA-N 300.446 4.994 30 20 DJED Cc1cc(C#N)ccc1CN1CCc2ccc(Cl)cc2[C@H](C)C1 1659272959 UPVWNWZWOKARRG-OAHLLOKOSA-N 324.855 4.682 30 20 DJED CC(C)[C@@H]1CCCCCC1=NNc1ccc(F)c(C(=O)O)c1 1776063212 GFSJYYYOARDTLJ-ZDUSSCGKSA-N 306.381 4.528 30 20 DJED CCCCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 46443344 GTBKNLYYNAQLEB-ZDUSSCGKSA-N 318.829 4.830 30 20 DJED C(#Cc1c(-c2ccccc2)nnc2ccccc12)c1ccccc1 98179834 ULLQOFXITVPNGR-UHFFFAOYSA-N 306.368 4.697 30 20 DJED CC(C)c1ncc(/C=C/C(=O)c2ccc(O)c(Cl)c2)s1 119261433 FVZOVNHTSYUEJX-GQCTYLIASA-N 307.802 4.522 30 20 DJED N#Cc1cccc(NCc2cnoc2-c2ccc(Cl)s2)c1 135544578 CQTYXLVVIQSEEG-UHFFFAOYSA-N 315.785 4.540 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1csc(C(C)C)n1 153688925 LGKLPVPFXRWECG-UHFFFAOYSA-N 315.442 4.537 30 20 DJED C=CCCCCCN(C)C(=O)c1ccc(Oc2cccnc2)cc1 156863828 CSYQXRFZHBLQHG-UHFFFAOYSA-N 324.424 4.692 30 20 DJED CC(C)c1ccccc1NC(=O)N[C@H](CCC#N)c1ccccc1 159670490 BTARBDSOKYAKMB-GOSISDBHSA-N 321.424 4.977 30 20 DJED CC(C)[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 271859986 KEEIQGJTLRUEBC-OXQOHEQNSA-N 308.425 4.637 30 20 DJED CCN(CC#N)[C@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1 298035995 GERKKATXZGJZJS-SNVBAGLBSA-N 324.211 4.555 30 20 DJED N#CCCCOc1cccc(NCc2ccc3ncccc3c2)c1 324603123 AOHUUUJPBXNPNA-UHFFFAOYSA-N 317.392 4.529 30 20 DJED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2c(ccc3ccccc32)o1 424331764 SMOVSPUCDAFDRG-IJEWVQPXSA-N 304.393 4.929 30 20 DJED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(C#N)cc1Cl 426153839 PICSUVOCQSFNMX-CJNGLKHVSA-N 319.836 4.644 30 20 DJED CC1(C#N)CCC(NCCCOc2ccc3ccccc3c2)CC1 449185807 JTLBUZWTYVQBEU-UHFFFAOYSA-N 322.452 4.671 30 20 DJED C=CCCC1(C(=O)N(C)Cc2c(CC)oc3ccccc23)CC1 474418642 WNAXAZMUDGNEOW-UHFFFAOYSA-N 311.425 4.700 30 20 DJED CCOc1ccccc1[C@H](CC)NCc1ccc(C#N)c(C)c1 488127039 OVZKRIHTPHHUOK-IBGZPJMESA-N 308.425 4.506 30 20 DJED C=CCOc1ccc(-c2nnc(S[C@@H](C)CCC)o2)cc1 489763961 VTKPYGFTCPPWRP-LBPRGKRZSA-N 304.415 4.582 30 20 DJED CC(C)[C@@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 498082785 UQUJHAWRNRHIPZ-CQSZACIVSA-N 308.381 4.581 30 20 DJED C=CCCC[C@@H](C)NC(=O)N(C)[C@@H](CC)c1cccc(OC)c1 501570446 VJCVOYZQELAKDJ-QAPCUYQASA-N 318.461 4.533 30 20 DJED CCCC[C@H](C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 503318337 GAOJCVVJQLGECH-KBPBESRZSA-N 304.459 4.846 30 20 DJED C=CCN(Cc1ccccc1)C(=O)C1CC(c2cccc(F)c2)C1 522214766 WGFMMCBUIJTJIK-UHFFFAOYSA-N 323.411 4.534 30 20 DJED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cc2ccccc2o1 532623505 IKHZNJRDQWSQER-PMACEKPBSA-N 316.404 4.705 30 20 DJED Cc1cc([C@H](Nc2ncc(C#N)cc2Cl)C2CC2)ccc1F 535357050 BDSRXRYHJPOBLS-MRXNPFEDSA-N 315.779 4.617 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 539408479 VPWNTLZGOBWQNC-WOJBJXKFSA-N 323.411 4.534 30 20 DJED N#Cc1ccc(SCc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 541075818 PXPJVVJJDONKLG-UHFFFAOYSA-N 322.748 4.551 30 20 DJED N#CCc1ccc(NCc2cnc(-c3ccsc3)s2)cc1 546072732 ABUOEFMGWSESHL-UHFFFAOYSA-N 311.435 4.550 30 20 DJED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(C2CC2)c1 556151534 PFRPBNFBWRRTTK-HNNXBMFYSA-N 302.421 4.776 30 20 DJED CC(C)[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 557517111 DONPAURCXGHPPC-SFTDATJTSA-N 304.437 4.923 30 20 DJED C=CCCCCS[C@@H](C)C(=O)Nc1ccccc1OCC 577370343 LXERUEFDLATITK-AWEZNQCLSA-N 307.459 4.502 30 20 DJED N#CCCC1CCN(Cc2nc(C3CCCCC3)cs2)CC1 592135194 YWGJRUKWXLDEQZ-UHFFFAOYSA-N 317.502 4.707 30 20 DJED C=CCN(CC=C)C(=O)c1cc(-c2ccccc2)ccc1Cl 599492668 QEFOJTNTFFKQLM-UHFFFAOYSA-N 311.812 4.821 30 20 DJED CSc1ccc(CSCCOc2ccc(C#N)cc2)cc1 603773158 XTCDEAHSHNIFKA-UHFFFAOYSA-N 315.463 4.592 30 20 DJED N#C[C@H](C(=O)c1cc2occc2s1)c1ccc2ccccc2n1 606147042 RBWASSKXKFVHKX-LBPRGKRZSA-N 318.357 4.533 30 20 DJED C[C@H](NCc1ccc(C#N)c(Cl)c1)C1CCC(F)(F)CC1 619755232 CYQFOWHCIVBOGZ-NSHDSACASA-N 312.791 4.515 30 20 DJED C#Cc1cccc(N(Cc2ccco2)C(=O)CC2=CCCCC2)c1 730182335 ZPSHLGQLGHOQNI-UHFFFAOYSA-N 319.404 4.685 30 20 DJED CCN(CCCC(C)(C)C#N)Cc1ccc(C(F)(F)F)cc1 746664405 ZWXQNFUUPWTBSF-UHFFFAOYSA-N 312.379 4.857 30 20 DJED N#Cc1ccc(/C=C2/CSc3c(Cl)cccc3C2=O)s1 749005906 NOOUPLGKGPLQBI-TWGQIWQCSA-N 317.822 4.645 30 20 DJED CCCC[C@@H](CCC)CNC(=O)c1ccccc1SCC#N 753774127 CKSPJIHDVCIERF-OAHLLOKOSA-N 318.486 4.639 30 20 DJED C#CC[C@H](NC(=O)Nc1ccccc1C(C)C)c1ccccc1 757762375 OZTDZESHSOXDOY-SFHVURJKSA-N 306.409 4.696 30 20 DJED O=C(/C=C/c1ccc(C(F)(F)F)s1)c1ccccc1F 761473317 CNOWQRNLXQZGEC-FNORWQNLSA-N 300.276 4.802 30 20 DJED COc1ccsc1/C=C1/C(=O)c2ccsc2S[C@H]1C 764440819 AEAGAZBIDFYXGC-VKHJRQFRSA-N 308.449 4.579 30 20 DJED CC(C)(C#N)CCCCOC(=O)c1cc(Cl)ccc1Cl 768371583 MBVBMADZPQPVQF-UHFFFAOYSA-N 314.212 4.870 30 20 DJED O=C(/C=C\c1ccccc1OC(F)F)c1ccc(O)c(Cl)c1 768754177 DECGCJOMJROXBD-ALCCZGGFSA-N 324.710 4.543 30 20 DJED CCSc1ccc(C(C)=NNc2nccnc2C(C)C)cc1 773075239 WALAZCRNAWKMKP-UHFFFAOYSA-N 314.458 4.548 30 20 DJED C#CC[C@@H](N[C@H](C)c1ccc(OCCC)cc1)c1ccccc1 773115181 MXDNBOVKWFSCCD-DYESRHJHSA-N 307.437 4.891 30 20 DJED CCCc1cccc(CNCc2cccc(O[C@H](C#N)CC)c2)c1 775304851 JTSRBRHKSHJVRR-FQEVSTJZSA-N 322.452 4.610 30 20 DJED CC(C)c1ccc(CCN[C@H](C)c2ccc(OCC#N)cc2)cc1 776153859 HHQOASLQUMVINQ-QGZVFWFLSA-N 322.452 4.606 30 20 DJED C/C(=C\C(=O)OCCCC(C)(C)C#N)c1ccccc1Cl 783424367 WYDPTDPUVMXHIO-ACCUITESSA-N 305.805 4.616 30 20 DJED Cc1c(C(=O)/C=C\c2ccc(F)cc2Cl)cnn1C(C)(C)C 787185963 DODKVFDHVIJFPO-VURMDHGXSA-N 320.795 4.635 30 20 DJED C=CC[C@H](N[C@@H](C)Cc1coc2ccccc12)c1ccncc1 823888048 VFUUAMLNVKGISQ-KXBFYZLASA-N 306.409 4.666 30 20 DJED CCOc1ccccc1/C=C1/CSc2ccc(F)cc2C1=O 916128620 RBVVUCACGHFALV-LCYFTJDESA-N 314.381 4.596 30 20 DJED O=C(/C=C/c1ccc(O)cc1)c1ccc(N2CCCCCC2)cc1 916132833 SVXVTJRYUFHNHM-VGOFMYFVSA-N 321.420 4.669 30 20 DJED CCCCn1nc(C)c(/C=C\C(=O)c2ccccc2)c1Cl 916134359 OVZUNAXTGDBAPB-KHPPLWFESA-N 302.805 4.541 30 20 DJED Cc1ccc(C)c(C(=O)/C=C\c2ccc(Cl)c([N+](=O)[O-])c2)c1 916155982 UDTWASYTYKTJOV-VURMDHGXSA-N 315.756 4.761 30 20 DJED Cc1c(C(=O)/C=C2/COc3ccc(F)cc32)oc2ccccc12 918156150 MEQTUBQAECABGI-WQLSENKSSA-N 308.308 4.539 30 20 DJED O=C(/C=C1\COc2ccc(F)cc21)c1ccc(C(F)(F)F)cc1 918156287 QUKBNMUEHVESSK-YRNVUSSQSA-N 322.257 4.503 30 20 DJED CC[C@H](Cc1ccc(C)cc1)N(C)Cc1ccc(CC#N)cc1 1191268308 KKVJFWHSYAUWOK-OAQYLSRUSA-N 306.453 4.514 30 20 DJED N#Cc1cc(F)ccc1NC(=O)Nc1ccc(C2CCC2)cc1 1201432733 RDFSDSSCMOSJIW-UHFFFAOYSA-N 309.344 4.609 30 20 DJED CC(C)(CC1CCCCCC1)NC(=O)c1ccc(C#N)cc1F 1269336835 KYWIYUWEIHDYEC-UHFFFAOYSA-N 316.420 4.566 30 20 DJED C[C@H]1CCCC[C@H]1CC(=O)Nc1cc2ccccc2cc1C#N 1275727009 ZNFCYFKYYLRTOQ-GJZGRUSLSA-N 306.409 4.866 30 20 DJED Cc1cc(N(C)[C@@H](C)c2ccc(Cl)cc2Cl)ncc1C#N 1306926616 TXTNMWMZHDWZNM-NSHDSACASA-N 320.223 4.766 30 20 DJED CSCCc1ccc(Nc2nc(C)c(C#N)cc2Cl)cc1 1306955817 MNYJMAIZUZUJNU-UHFFFAOYSA-N 317.845 4.564 30 20 DJED Cc1ccc(C#N)cc1NCc1ccc2c(c1)CCC(C)(C)O2 1308431352 RTDCVLVUZBKNMS-UHFFFAOYSA-N 306.409 4.582 30 20 DJED C=C(CC(C)C)C(=O)N1CCC[C@H]1c1nc2ccccc2s1 1350841663 IIDYWKLRAQAWRB-HNNXBMFYSA-N 314.454 4.562 30 20 DJED Cc1c(C(=O)O[C@H](C)c2ccc(C#N)cc2)oc2c(F)cccc12 1361168875 NVYLGYFZBHOGSF-GFCCVEGCSA-N 323.323 4.670 30 20 DJED Cc1cc(C#N)ccc1CN1CC=C(c2ccccc2Cl)CC1 1459785473 JRWSLQGUPJJLNZ-UHFFFAOYSA-N 322.839 4.809 30 20 DJED CC(C)C[C@@H]1CCC[C@H](Nc2ccc(F)cc2OCC#N)C1 1462071656 MSNDZEWNGTVZBQ-HOCLYGCPSA-N 304.409 4.745 30 20 DJED C=C(CNC(=O)Nc1ccc2c(c1)CCCCC2)c1ccccc1 1466999574 SQFVHNAWEBJPLD-UHFFFAOYSA-N 320.436 4.790 30 20 DJED Cc1cc(C#N)ccc1CN(C)CCc1cccc2ccccc12 1473134694 DVPGGDWUQDVKRJ-UHFFFAOYSA-N 314.432 4.694 30 20 DJED C=C(CNC(=O)c1ccc(-c2ccccc2F)o1)c1ccccc1 1524588068 WARJQMVTNFXRNZ-UHFFFAOYSA-N 321.351 4.529 30 20 DJED CC[C@H](C#N)[C@H](OC(=O)c1coc(SC)c1)c1cccs1 1525978932 UXJIJRCRMRRLEW-YGRLFVJLSA-N 321.423 4.511 30 20 DJED Cc1ccc(-c2ccc(C(=O)O[C@H]3CCC[C@@H](C#N)C3)s2)o1 1528079620 COAXJUHVFBDDEP-OLZOCXBDSA-N 315.394 4.556 30 20 DJED CCN(Cc1ccc(C)cc1)c1nc(C(C)(C)C)ccc1C#N 1559082986 NINDPGGVPFLJDD-UHFFFAOYSA-N 307.441 4.586 30 20 DJED CC(C)(C)c1ccc2c(c1)CCN2c1ccc(Cl)c(C#N)n1 1612285246 JGNGQRCHLLMXQS-UHFFFAOYSA-N 311.816 4.598 30 20 DJED N#CCC[C@H](Nc1cc(-c2ccccc2)ncn1)c1ccccc1 1642472411 ZQVXGVNHFSZNQN-SFHVURJKSA-N 314.392 4.601 30 20 DJED Cc1nc(S[C@H]2CCc3ccccc3C2)c(Cl)cc1C#N 1642918510 LTVPDFXGMKQGGT-HNNXBMFYSA-N 314.841 4.565 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2CCC(C3CCCC3)CC2)n1 1650805890 DQRYPIGGPYXRSW-UHFFFAOYSA-N 311.473 4.657 30 20 DJED C[C@@H](Sc1ncccc1C#N)c1cccc(C(F)(F)F)c1 1651279969 BUUYZOQQGPCFBT-SNVBAGLBSA-N 308.328 4.825 30 20 DJED Cc1cc(NCC(C)(C)c2ccc(C(C)(C)C)cc2)ncc1C#N 1655337805 CFKMMZVZAFNNIO-UHFFFAOYSA-N 321.468 4.949 30 20 DJED C[C@@H](CCC#N)CNCC1(c2cccc(Cl)c2F)CCCC1 1658849254 VBYMEQGCPANRCY-AWEZNQCLSA-N 322.855 4.820 30 20 DJED CC(C)(C)c1ccc(/C=C/C(=O)c2csc(C(=O)O)c2)cc1 1776272519 WEQRQJRKSWOUKV-RMKNXTFCSA-N 314.406 4.640 30 20 DJED CCN(C(=O)C[C@H](C)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 45499259 WTBSZFCAOFGMOW-IRXDYDNUSA-N 320.436 4.662 30 20 DJED C=CCn1c(SCCCC)nnc1-c1ccc(Cl)cc1 57930873 KSLDDDXKCXPCOE-UHFFFAOYSA-N 307.850 4.677 30 20 DJED C[C@@H](Nc1ccc(Br)c(F)c1)c1cccc(C#N)c1 88082532 SRXKGYKHYCLDGI-SNVBAGLBSA-N 319.177 4.633 30 20 DJED CCCCCCCCOC(=O)c1csc([C@@H]2CCCO2)n1 164118719 LMFVBQJKSPCZNX-AWEZNQCLSA-N 311.447 4.512 30 20 DJED Cc1cc(C)c(C(=O)Nc2ccccc2S[C@H](C)CC#N)o1 176576377 YEYWXQITOAIVTQ-CYBMUJFWSA-N 314.410 4.543 30 20 DJED C[C@@H](NCc1ccccc1OC1CCCC1)c1ccc(C#N)cc1 193690722 MWZNRKIANSECRV-MRXNPFEDSA-N 320.436 4.730 30 20 DJED COc1ccccc1[C@H](C)Nc1cccc(OCCCC#N)c1 193905720 FERUCGJHAALLAR-HNNXBMFYSA-N 310.397 4.551 30 20 DJED CCCOc1ccc(/C=C\C(=O)c2ccc(C)s2)cc1OC 215886100 YKVGPHRWZDPGIR-VURMDHGXSA-N 316.422 4.750 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@@H]1CCC[C@H]1C 249020089 QLHWTGJUJVJBIP-KFWWJZLASA-N 316.470 4.846 30 20 DJED Cc1cccnc1[C@@H]1CCC[C@H](Nc2ccc(CC#N)cc2)C1 281221205 KLBZCCZFGQTQIN-MJGOQNOKSA-N 305.425 4.594 30 20 DJED CC(C)(C#N)CCCC[S@@](=O)Cc1cccc(C(F)F)c1 281253424 WCPPWINUGZCDHH-OAQYLSRUSA-N 313.413 4.593 30 20 DJED C=CCOc1ccc(CN[C@H](C)c2ccc(OCC)cc2)cc1 378879898 CXIGHMQGVDPFRN-MRXNPFEDSA-N 311.425 4.501 30 20 DJED C[C@H](CCC#N)N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 411723036 WAPZSKCNLOZJDB-UHOFOFEASA-N 310.363 4.623 30 20 DJED COc1cc(CNc2ccc(SC)c(Cl)c2)ccc1C#N 440626787 RPMCOFHRMSBXLJ-UHFFFAOYSA-N 318.829 4.554 30 20 DJED N#C[C@@H]1CC[C@H](N[C@H](c2ccccc2)c2cc3ccccc3o2)C1 442761889 DGIVNDGQCKDZRT-FYINFDKHSA-N 316.404 4.804 30 20 DJED Cc1ccc(Oc2ccccc2CN[C@H]2CC[C@@H](C#N)C2)cc1 442780219 MNGCSSIGVGMBOI-AEFFLSMTSA-N 306.409 4.569 30 20 DJED N#CCc1ccc(NC(=O)CCCC2CCCC2)c(Cl)c1 452647481 SADNTAUJFRNTLE-UHFFFAOYSA-N 304.821 4.705 30 20 DJED CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CCCC#N 464521738 KFPHATBFCWIMSG-SFHVURJKSA-N 320.864 4.970 30 20 DJED N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@H]1c1cccs1 467718363 OLIHGKPNDPYYNO-AWEZNQCLSA-N 322.355 4.980 30 20 DJED C=CCCN(C)C(=O)c1cccc(F)c1Sc1ccccc1 468201702 ZACQIPQHKNADLD-UHFFFAOYSA-N 315.413 4.625 30 20 DJED CC(C)c1ccc(CNC(=O)C[C@H](CC#N)c2ccccc2)cc1 474689804 RBPDNJCNDYCOHN-FQEVSTJZSA-N 320.436 4.514 30 20 DJED CCCC[C@H](CCC)NC(=O)c1ccc(C(C)(C)C#N)cc1 476250618 RURLBIVFNIISAL-KRWDZBQOSA-N 300.446 4.576 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCCC1(C)C 476510374 CXZLAHNRLDBLTE-KBPBESRZSA-N 316.470 4.846 30 20 DJED C=CC[C@H]1N(C(=O)C[C@@H](CC#N)c2ccccc2)CCCC1(C)C 477117395 DBMURXOCJMUEPH-RTBURBONSA-N 324.468 4.667 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCC[C@H]1c1cccs1 480525199 MTDNEEVWZCJIBM-HNNXBMFYSA-N 302.830 4.610 30 20 DJED C=C[C@@H]1CCCCN1C(=O)CC1(CSc2ccccc2)CC1 488813014 GMCHJFIPAQDABZ-MRXNPFEDSA-N 315.482 4.516 30 20 DJED Cc1c(C(=O)N[C@@H]2CC23CCCCC3)sc2ccc(C#N)cc12 497369790 UXSANKOIZSMFJC-MRXNPFEDSA-N 324.449 4.534 30 20 DJED C=C(C)CN(CC)C(=O)N[C@H](Cc1ccccc1)c1ccccc1 503830548 SZUQAIVWEOKVJM-HXUWFJFHSA-N 322.452 4.578 30 20 DJED C=CCOc1cccc(CNc2cc(NC(=O)CC)ccc2C)c1 513286120 BUEPAHLZOJOAEZ-UHFFFAOYSA-N 324.424 4.520 30 20 DJED C=CCOCCCC(=O)Nc1ccc2oc3ccccc3c2c1 525199696 QYVAJHYYXKACAZ-UHFFFAOYSA-N 309.365 4.507 30 20 DJED CSc1ccc([C@@H](C)Nc2ncc(C#N)cc2Cl)cc1 541231565 RKLQTSKNDBMRAJ-SNVBAGLBSA-N 303.818 4.502 30 20 DJED CC[C@@H](C)[C@H](NCc1nc(C#N)cs1)c1ccc(Cl)cc1 554972034 UFDRYFWBYVYXRF-BZNIZROVSA-N 319.861 4.545 30 20 DJED N#CCCN(C(=O)c1cccc(C2CCC2)c1)c1ccc(F)cc1 562295974 DHBLIXVKXZWSEI-UHFFFAOYSA-N 322.383 4.654 30 20 DJED CCSc1ccc(Cl)cc1NC(=O)CCCCCC#N 588753676 DQWKAPXIQOLSIF-UHFFFAOYSA-N 310.850 4.865 30 20 DJED CCCc1ccc(CNCc2ccc(C#N)c(Cl)c2)s1 598644262 ZHPDDDFCHPNMCY-UHFFFAOYSA-N 304.846 4.515 30 20 DJED C=CCCCCCN(C)C(=O)c1nc(-c2ccco2)sc1C 606814853 UJCYMMFISMJGEG-UHFFFAOYSA-N 318.442 4.530 30 20 DJED Cc1cc(C)cc(Oc2ccc(NC(=O)C3(C#N)CCC3)cc2)c1 609856175 XTAULYLXCSFZHC-UHFFFAOYSA-N 320.392 4.728 30 20 DJED Cc1ccc(SCc2nnc(-c3cccc(C#N)c3)o2)cc1C 610217061 JSGCMSACMULTJI-UHFFFAOYSA-N 321.405 4.517 30 20 DJED CC(C)c1noc([C@@H](C)Sc2ccc(Cl)cc2C#N)n1 610655259 XEKLCIIIHMEXCP-SECBINFHSA-N 307.806 4.571 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@@H](c2ccc(F)cc2)c2cccs2)C1 618562233 XLFVUUPXDLBPBJ-SKDZVZGDSA-N 314.429 4.649 30 20 DJED CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1cccc(F)c1 726426370 VGVKBXYKFNECQK-UHFFFAOYSA-N 321.277 4.552 30 20 DJED COc1ccc(C(=O)/C=C\c2cccnc2Cl)c2ccccc12 728699679 ICSKHURHFZFQOZ-NTMALXAHSA-N 323.779 4.793 30 20 DJED CC1(C)Cc2cc(/C=C/C(=O)c3ccc(F)cc3F)ccc2O1 729151238 UOGWKRRZOVKMJB-XVNBXDOJSA-N 314.331 4.574 30 20 DJED COc1cccc2cc(/C=C3\Cc4ccc(C)cc4C3=O)oc12 730949587 YOEGYLWTWDOQAL-RVDMUPIBSA-N 304.345 4.572 30 20 DJED C=CC[C@H](NC(=O)CCc1ccc(C(C)C)cc1)c1ccncc1 734359999 DZRRSEQAUGSSFZ-FQEVSTJZSA-N 322.452 4.571 30 20 DJED O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1Cl 734980989 NUZULCHVBVERSQ-TWGQIWQCSA-N 322.147 4.798 30 20 DJED N#CCCCOc1cccc(NC(=O)C2CCCCCCC2)c1 741540483 INUAFLDKVXDQRJ-UHFFFAOYSA-N 314.429 4.668 30 20 DJED COc1ccc(C)cc1/C=C\C(=O)c1ccc(OC(F)F)cc1 747003520 IQQXYAZBSPICIJ-TWGQIWQCSA-N 318.319 4.501 30 20 DJED O=C(/C=C\c1cn2cc(Cl)ccc2n1)c1coc2ccccc12 747705257 MCVGXCDZSAQMEA-SREVYHEPSA-N 322.751 4.630 30 20 DJED O=C(/C=C\c1ccc(Cl)nc1)c1ccc(Cl)cc1Cl 748994833 SZQHUFJUQISDMX-KTAJNNJTSA-N 312.583 4.938 30 20 DJED COc1ccc(C(=O)/C=C\c2ccccc2C#N)c2ccccc12 755581533 NTWBDLOBYSELEP-BENRWUELSA-N 313.356 4.616 30 20 DJED C#CC[C@@H](NC(=O)Nc1cccc(SCC)c1)c1ccccc1 757885959 LAKZBUSXQYNVHG-GOSISDBHSA-N 324.449 4.685 30 20 DJED C=CCCC(=O)COC(=O)c1sc2cc(C)ccc2c1Cl 761403575 BWTQYTHPIMKFQC-UHFFFAOYSA-N 322.813 4.555 30 20 DJED C=CCCO[C@@H](C)C(=O)Nc1ccc(-c2ccccc2)c(C)c1 762516976 WTWAPXJLWBAUMS-INIZCTEOSA-N 309.409 4.582 30 20 DJED C[C@@H](NCCCC1CCCCC1)c1ccc(OCC#N)cc1 776153264 AUBMXIYZSXUAPS-MRXNPFEDSA-N 300.446 4.600 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2Nc1ccc(N2CCCC2)cc1 776803133 STXJWXKGXIGKFD-OAQYLSRUSA-N 317.436 4.648 30 20 DJED CC[C@@]1(C)Oc2ccc(N[C@H](C)c3ccc(C#N)cc3)cc2O1 785572287 YUJNXFZFOOJPDT-YJYMSZOUSA-N 308.381 4.629 30 20 DJED CCOc1cccc(/C=C/C(=O)c2ccc(C#N)cc2Cl)c1 788360401 JVFOTMCAMGBABP-VQHVLOKHSA-N 311.768 4.506 30 20 DJED N#Cc1sc(Oc2cnc3ccc(Cl)cc3c2)nc1Cl 804708292 OWFSAWDCENDZPD-UHFFFAOYSA-N 322.176 4.662 30 20 DJED C[C@H]1/C(=C\c2ccc(OC(F)F)cc2)C(=O)c2ccccc21 809159825 XKQBQYYYBYENFN-HPUUJOOBSA-N 300.304 4.671 30 20 DJED O=C(/C=C/c1ccc(F)cc1)c1ccc(F)c(Br)c1 810248111 OXGZSUIVCYKJTN-FPYGCLRLSA-N 323.136 4.623 30 20 DJED CCCCCCCCCC(=O)N1CC2(CCOCC2)C[C@@H]1C 843722311 RNUYLUHZBPJSPM-KRWDZBQOSA-N 309.494 4.545 30 20 DJED CC(C)c1ccccc1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 857630376 VFYGDABAJGQRRJ-OAHLLOKOSA-N 306.409 4.515 30 20 DJED CCc1c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)oc2ccccc12 916132096 SQQZCEZWNQVJLR-FMIVXFBMSA-N 321.332 4.800 30 20 DJED CCN(CC)c1ccc(C=Nc2cccc3ncccc23)c(O)c1 920942008 FLPSRXCHCULGIF-UHFFFAOYSA-N 319.408 4.537 30 20 DJED C/C(=C\c1nnc(-c2cccc(C#N)c2)o1)c1ccccc1Cl 1117260928 BQONUQXIVMCSCF-FMIVXFBMSA-N 321.767 4.822 30 20 DJED CCSc1ccccc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 1126637567 KOVXRQUPSPEEFD-ZDUSSCGKSA-N 311.406 4.588 30 20 DJED Cc1cc(Nc2ccc(NCC3CCCC3)cc2)ncc1C#N 1162367493 YSMBOUGWNLVHBT-UHFFFAOYSA-N 306.413 4.607 30 20 DJED Cc1ccc(OC(F)F)c(CSc2ccc(C#N)cc2F)c1 1165710412 HPZSAYGAFBINAT-UHFFFAOYSA-N 323.339 4.900 30 20 DJED Cc1nc(NCc2ccccc2Oc2ccccc2)ccc1C#N 1185098964 UWJBDLAHFGCESA-UHFFFAOYSA-N 315.376 4.666 30 20 DJED CC(C)[C@H]1CCC[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 1197131978 IHKIWSAPHQQTEF-GXTWGEPZSA-N 319.836 4.548 30 20 DJED CCC1(CNc2cc(C)c(C#N)c3nc4ccccc4n23)CCC1 1306988725 FYABQMURVADXBE-UHFFFAOYSA-N 318.424 4.660 30 20 DJED N#Cc1cc(CSc2ncc(-c3ccccc3)o2)ccc1F 1319608188 JKAXBKPNBKHTHX-UHFFFAOYSA-N 310.353 4.645 30 20 DJED C[C@@H](c1ccccc1)N(Cc1cccc(C#N)c1)CC1CCC1 1473177817 PHKNGIAWJIQERK-KRWDZBQOSA-N 304.437 4.922 30 20 DJED CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc(C#N)cc1 1523019522 LSODYLXGKDPABH-OKZBNKHCSA-N 310.441 4.518 30 20 DJED CCC[C@@H]1CCC[C@H]1C(=O)N(c1ccccc1C#N)C1CCC1 1528687261 WLIFIPQLDHIZGB-CRAIPNDOSA-N 310.441 4.660 30 20 DJED C[C@@H]1C[C@H](CC(=O)Nc2cc(C#N)c(F)cc2F)CC(C)(C)C1 1532500010 WQNUHXYWECDYPL-VXGBXAGGSA-N 320.383 4.627 30 20 DJED N#Cc1nc(NC[C@@H]2CCC[C@@H]2c2ccccc2)ccc1Cl 1559198966 MWNUBUUQXDFXHT-LSDHHAIUSA-N 311.816 4.602 30 20 DJED N#Cc1cccc(CN2CC3(CCCC3)c3c(F)cccc32)c1F 1616275154 IUILQTCDFUCMKX-UHFFFAOYSA-N 324.374 4.668 30 20 DJED N#Cc1ccc(CN2CCCSc3ccc(Cl)cc32)s1 1642123143 KOKZCPSLHGJHDY-UHFFFAOYSA-N 320.870 4.776 30 20 DJED N#CCC1(CN(Cc2c(Cl)cccc2Cl)C2CC2)CC1 1645524118 BMURKXCVZDXCHM-UHFFFAOYSA-N 309.240 4.652 30 20 DJED CCCC1CCC(CNc2ccccc2O[C@H](C)C#N)CC1 1650830775 OLRSCVBQBDCFEJ-KLAILNCOSA-N 300.446 4.996 30 20 DJED CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCCOc3ccccc32)n1 1655077760 KLBHQMRGBQEADD-MRXNPFEDSA-N 321.424 4.577 30 20 DJED Cc1cc(CN(C)Cc2ccccc2C(F)(F)F)ccc1C#N 1657636179 CCVHDLUCSTWVIQ-UHFFFAOYSA-N 318.342 4.518 30 20 DJED CC(C)C(C)(C)CNC(=O)Nc1scc(C(C)(C)C)c1C#N 1677860449 NVOUJSJWUMZEPY-UHFFFAOYSA-N 321.490 4.721 30 20 DJED CC(CCCCCCC(=O)O)=NNc1ccc(C)cc1Cl 1776060971 YQICRUKDHQCMBU-UHFFFAOYSA-N 310.825 4.861 30 20 DJED C=CC[C@@]1(C(=O)O)CCCN([C@@H](C)c2ccc(C(C)C)cc2)C1 1776154054 SKTOLMOOKHGOCL-OXJNMPFZSA-N 315.457 4.614 30 20 DJED COc1ccc2cc(/C=C3\COc4ccccc4C3=O)ccc2c1 13137350 GYJICIMTPNIFLA-GZTJUZNOSA-N 316.356 4.507 30 20 DJED N#Cc1cccc(COc2ccc(Cl)cc2Br)c1 14316144 BDYVOBXMKBNEIT-UHFFFAOYSA-N 322.589 4.553 30 20 DJED N#Cc1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c1 25012310 LFBSNSKZEZDQLB-UHFFFAOYSA-N 322.364 4.678 30 20 DJED CC(C)Oc1ccc(C#N)cc1N[C@@H](C)c1cc(F)ccc1F 63640727 PZJYBMJDMVRRQG-LBPRGKRZSA-N 316.351 4.797 30 20 DJED C[C@@H](N[C@H](C)c1ccc(OC(F)F)cc1)c1ccc(C#N)cc1 78973542 SGLCAODVSBBAEX-CHWSQXEVSA-N 316.351 4.571 30 20 DJED CCOc1ccccc1C1=CCN(CC(C)(C)CCC#N)CC1 92644421 NKRJMOFMEAQTLE-UHFFFAOYSA-N 312.457 4.504 30 20 DJED N#CCC[C@@H](C#N)COc1ccc(-c2ccccc2)cc1Cl 119241179 OOCDCQBVHGQNEW-AWEZNQCLSA-N 310.784 4.829 30 20 DJED O=C(/C=C/c1ccsc1)c1ccc(Br)cc1F 130204204 KZNIGCXEUMULRE-DAFODLJHSA-N 311.175 4.546 30 20 DJED C=C[C@@H](CC(=O)N[C@H](CCC#N)c1ccccc1)c1ccccc1 179497713 BRKMMTJHJPJUIO-FXAWDEMLSA-N 318.420 4.508 30 20 DJED N#CCCCOc1cccc(N[C@@H]2CCCOc3ccccc32)c1 179819642 FQYDEKQFAYMAAU-LJQANCHMSA-N 322.408 4.695 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C 187920318 LBDAWTHNHNBZFE-LJQANCHMSA-N 316.445 4.520 30 20 DJED Cc1cnc([C@@H](C)Nc2ccc(C#N)c(C(F)(F)F)c2)s1 226806782 VKULUGDZVUWDNX-SECBINFHSA-N 311.332 4.515 30 20 DJED CC[C@@H](NCC(C)(C)CCC#N)c1ccccc1Br 348218235 RHSIADAXBGJVNR-OAHLLOKOSA-N 323.278 4.820 30 20 DJED C[C@H](NCC(C)(C)CCC#N)c1csc(-c2ccccc2)n1 414172757 YRMPMRCKABPERL-AWEZNQCLSA-N 313.470 4.791 30 20 DJED N#CCCSc1ccccc1NC(=O)CC1CCCCCC1 426283905 RMNQSKFUXUXADU-UHFFFAOYSA-N 316.470 4.991 30 20 DJED CC[C@H](NCc1cccc2ccccc12)c1ccc(C#N)cc1 447540132 IJXBXUIVTVDSQX-NRFANRHFSA-N 300.405 4.952 30 20 DJED C=CCNC(=O)Nc1ccc(NCC[C@H](C)c2ccccc2)cc1 447764287 IPGPYGABXNZOKF-INIZCTEOSA-N 323.440 4.600 30 20 DJED N#Cc1ccccc1CN[C@@H](c1ccc(F)c(Cl)c1)C1CC1 449451349 QZLSQAIQPDYTHF-GOSISDBHSA-N 314.791 4.592 30 20 DJED C=CCC1(C(=O)Nc2cccc(NC(=O)CCC)c2)CCCC1 449795905 RCODDAZKQCMZQZ-UHFFFAOYSA-N 314.429 4.500 30 20 DJED C[C@H]1C[C@H](CC(F)(F)F)[C@@H](C)N1CCCCC(C)(C)C#N 451142697 GNOXXBHVTBFPLE-BFHYXJOUSA-N 304.400 4.758 30 20 DJED CC#CCCCC(=O)Nc1ccc(Oc2ccccc2OC)cc1 464549920 NJXPHNGBCYETPI-UHFFFAOYSA-N 323.392 4.620 30 20 DJED CCCC1(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCC1 467899037 FBASHFQCHQIQOZ-UHFFFAOYSA-N 313.445 4.580 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(C)ccc1F 471129027 JTUOGVOWCREJPO-UHFFFAOYSA-N 312.388 4.744 30 20 DJED C[C@@H](CCNC(=O)C[C@H](CC#N)c1ccccc1)CC(C)(C)C 476924011 FKGBAJLXDMAEHT-WMZOPIPTSA-N 314.473 4.653 30 20 DJED COc1ccc(C#N)cc1N[C@@H](C)c1ccc(C(F)(F)F)cc1 477269741 SKIMPTSAFNBGKE-NSHDSACASA-N 320.314 4.759 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCC[C@@H]1c1cccs1 480525200 MTDNEEVWZCJIBM-OAHLLOKOSA-N 302.830 4.610 30 20 DJED CC(C)(C#N)c1ccccc1COc1cnc2ccc(F)cc2c1 509824385 ZRASSPJOGMKONP-UHFFFAOYSA-N 320.367 4.754 30 20 DJED C=C(C)CN(Cc1ccc2ccccc2c1)Cc1ccc(CO)o1 512192364 DTWAONCWFQIHEU-UHFFFAOYSA-N 321.420 4.503 30 20 DJED C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2cccc(C#N)c2)C1 513548183 IPJMORCTNATWDU-BEFAXECRSA-N 319.408 4.563 30 20 DJED C=CCN(Cc1ccccc1)Cc1ncc(-c2cccs2)o1 518283491 WDKUODWJKJWODI-UHFFFAOYSA-N 310.422 4.591 30 20 DJED C=C[C@@H](CC(=O)Nc1cncc2ccccc12)c1ccccc1 535442004 OWRIOTLWJWNYFI-HNNXBMFYSA-N 302.377 4.533 30 20 DJED C[C@@H](N[C@H](C)c1ccccc1C(F)(F)F)c1cccc(C#N)c1 540605125 CNGXVXHQAVKFNA-CHWSQXEVSA-N 318.342 4.989 30 20 DJED C=CCC[C@@H](C(=O)N1CCC=C(c2ccco2)C1)c1ccccc1 552267320 WXWQAMWLMOFJTP-LJQANCHMSA-N 321.420 4.645 30 20 DJED C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1c(F)cccc1Cl 564427924 OOZODMMHOZGUEW-APPDUMDISA-N 314.791 4.689 30 20 DJED N#CCCCCCc1nc(CSc2ccc(Cl)cc2)no1 589081175 INWXNNMDVMHEKU-UHFFFAOYSA-N 321.833 4.642 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1ncoc1-c1ccccc1 601690744 UZHJTJGFRGSDGJ-UHFFFAOYSA-N 324.424 4.550 30 20 DJED Cc1c(COC(C)(C)C)cccc1N[C@@H]1CCC[C@@H](C#N)C1 618574022 RUFPDAXNOSXKPA-NVXWUHKLSA-N 300.446 4.804 30 20 DJED Cc1ccc([C@H](NCc2ccc(C#N)c(Cl)c2)C2CC2)cc1 619754521 BYLVMVJGZAAPOG-IBGZPJMESA-N 310.828 4.761 30 20 DJED Cc1ccc(N(CCC#N)C(=O)/C=C/Sc2ccccc2)cc1 726942512 ZEJXIDJHCPHIAD-NTCAYCPXSA-N 322.433 4.548 30 20 DJED CC(Cc1ccsc1)=NNc1cccc(Br)c1 729635131 DMDHOAGGIFLPNC-UHFFFAOYSA-N 309.232 4.541 30 20 DJED O=C(/C=C\c1cccc(Cl)c1)c1c(Cl)nc2ccccn12 737447720 AJRYUIPFCVJLDT-FPLPWBNLSA-N 317.175 4.537 30 20 DJED CC(=NNc1ccc(Cl)nc1)c1ccc(Cl)c(Cl)c1 743450921 UIIKNWWCWTVBJL-UHFFFAOYSA-N 314.603 4.878 30 20 DJED CCCCCCCCCNC(=O)N(C)[C@H](C)c1ccccn1 744827724 LZHQWNQDAGPLSG-MRXNPFEDSA-N 305.466 4.535 30 20 DJED CCOc1ccc(/C=C/C(=O)c2coc3ccccc23)cc1OC 747704720 FJDLXQIMEVGIIX-CSKARUKUSA-N 322.360 4.736 30 20 DJED O=C1/C(=C/c2coc(-c3ccccc3)n2)Cc2cc(Cl)ccc21 749894572 SZKGOLCSRLHGEW-GXDHUFHOSA-N 321.763 4.817 30 20 DJED CC(C)C(=NNc1ncc(C(F)(F)F)cc1Cl)C1CC1 750917572 JPTUWIOVHNKYGT-UHFFFAOYSA-N 305.731 4.588 30 20 DJED O=C(/C=C\c1ccc(F)c(Cl)c1Cl)c1cncc(F)c1 761478330 DNOKNYKFFNPCRZ-RQOWECAXSA-N 314.118 4.563 30 20 DJED Cc1csc([C@@H](C#N)C(=O)CC2CCC(C(C)(C)C)CC2)n1 766234374 LTBYYHNAHVCTBK-NRXISQOPSA-N 318.486 4.870 30 20 DJED Cc1cccc([C@@H]2CCCN2Cc2ccc(O[C@H](C)C#N)cc2)c1 768329891 JXLZRZQAHDSKMU-UTKZUKDTSA-N 320.436 4.623 30 20 DJED C#CC[C@H](N[C@H](C)c1cc(Cl)ccc1OC)c1ccccc1 773117881 YAUZPIYRXZMPLC-KDOFPFPSSA-N 313.828 4.764 30 20 DJED CC[C@H](NCc1ccc(N(CC)CC)cc1)c1ccc(C#N)cc1 774132406 UUDALOSKJWNTQR-NRFANRHFSA-N 321.468 4.645 30 20 DJED CCOc1c(Cl)cc(N[C@@H]2CCC[C@H](C#N)C2)cc1Cl 774348058 JNXXFPDFOVWOFG-WDEREUQCSA-N 313.228 4.886 30 20 DJED CC[C@@H](CN(CC)Cc1ccc(OCC#N)cc1)c1ccccc1 775897057 WINQWHBQKBZOHB-IBGZPJMESA-N 322.452 4.605 30 20 DJED C=CCCC[C@@H](C)NC(=O)c1ccccc1SC(F)(F)F 776016331 NYLKXQRAUSPOII-LLVKDONJSA-N 317.376 4.773 30 20 DJED CC[C@@H](C)c1ccc(C(=O)Nc2ccccc2O[C@H](C)C#N)cc1 780165938 STYXFOZSFXOSML-HUUCEWRRSA-N 322.408 4.743 30 20 DJED O=C1/C(=C/c2ccc3cnccc3c2)CSc2c(F)cccc21 782321636 BRUOLWJYICOJTD-OQLLNIDSSA-N 321.376 4.746 30 20 DJED CC(C)(C#N)CCCOC(=O)C(C)(C)c1ccc2ccccc2c1 783889425 YFDZAYOVKYEVBM-UHFFFAOYSA-N 323.436 4.991 30 20 DJED Cc1c([C@H](C)OC(=O)CC(C)(C)C#N)sc2ccccc12 784837744 JBKDNEZJXQSTPM-LBPRGKRZSA-N 301.411 4.754 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2cc(F)c(F)c(F)c2)c(Cl)c1 788360425 KGDPLHUNSQLVKQ-RQOWECAXSA-N 321.685 4.525 30 20 DJED O=C(/C=C\c1ccccc1C1CC1)c1cc(F)ccc1[N+](=O)[O-] 806560395 NKCCWPYARGIKDC-YFHOEESVSA-N 311.312 4.507 30 20 DJED Cc1nn(C)c2sc(C(=O)/C=C/c3coc4ccccc34)cc12 806578910 OTKLDYKWISTZJP-BQYQJAHWSA-N 322.389 4.586 30 20 DJED CCc1nocc1C=NNc1c(Cl)cc(Cl)cc1Cl 814686147 UZZKSBNYMHWBGB-UHFFFAOYSA-N 318.591 4.643 30 20 DJED C=CC[C@H](N[C@@H](C)c1ccc(OC)cc1Cl)c1ccncc1 818333166 UMEGQFYFUPZODE-UGSOOPFHSA-N 316.832 4.712 30 20 DJED CC[C@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1cc(C)ccc1C 858296072 NVNGNNPDMAKMME-UWJYYQICSA-N 322.452 4.835 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1cccc2ncccc12 871658673 NXBCYLHDYIHOBS-ZHACJKMWSA-N 319.408 4.525 30 20 DJED O=C(/C=C\c1ccccc1OC(F)F)c1cccc(Cl)c1 916137595 SLTUZIJGWHTLPO-HJWRWDBZSA-N 308.711 4.838 30 20 DJED CC(=NNc1cc(C)ccc1C)c1cccc(OC(F)F)c1 916346816 WBUCGLDLOYWMNP-UHFFFAOYSA-N 304.340 4.741 30 20 DJED CC(=NNc1ncccc1Cl)c1ccc(C(F)(F)F)cc1 917546474 NPENIMIUOXHTEH-UHFFFAOYSA-N 313.710 4.590 30 20 DJED C[C@H](OC(=O)c1cccc(C#N)c1)c1ccc2ccccc2c1 917959273 BKLUIEXVUCBCKG-AWEZNQCLSA-N 301.345 4.629 30 20 DJED CCCCCCCCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1F 921163123 AWPMDCKPTTXGGH-UHFFFAOYSA-N 324.396 4.557 30 20 DJED CC(C)c1ccc(CN(C)C(=O)CC2(C#N)CCCCC2)cc1 1124776927 AHPDGOAKABPEQL-UHFFFAOYSA-N 312.457 4.633 30 20 DJED CC(C)[C@H](C)C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@@H](C)CC2 1129355764 LHTSXJFDHKLDAO-SDDRHHMPSA-N 304.459 4.536 30 20 DJED CCCC1(CNc2nccc(Oc3cccc(C#N)c3)n2)CCC1 1162805711 FOMOCCQPMODFHU-UHFFFAOYSA-N 322.412 4.523 30 20 DJED Cc1cc(N2CCC[C@H](CCCc3ccccc3)C2)ncc1C#N 1162862346 USEMBCHCRDSRSJ-IBGZPJMESA-N 319.452 4.501 30 20 DJED CC(C)Cc1ccc([C@H](NCc2cc(C#N)ccn2)C(C)C)cc1 1167727765 FUCFZVXIXJFJCU-OAQYLSRUSA-N 321.468 4.639 30 20 DJED N#Cc1cccc(CN2CCC[C@@H]2c2ccccc2Cl)c1F 1249685325 JHYBLQZCILNRMB-QGZVFWFLSA-N 314.791 4.688 30 20 DJED O=C(O)c1ccc(-c2ccc(/C=C\C(=O)c3ccsc3)o2)cc1 1318328666 XMFNSUGVTADOSY-ALCCZGGFSA-N 324.357 4.602 30 20 DJED C[C@@H](Sc1ncncc1C#N)c1ccc(Cl)c(Cl)c1 1458204269 NDSRXDDKWMYSIM-MRVPVSSYSA-N 310.209 4.508 30 20 DJED CN(Cc1cccc(C#N)c1F)C1CCC(C(C)(C)C)CC1 1473128667 VHXWWIZRKKSFIX-UHFFFAOYSA-N 302.437 4.734 30 20 DJED CCN(Cc1ccccc1C(C)(C)C#N)c1ccc(F)c(F)c1 1473268156 ILHLZNBXIOZMLS-UHFFFAOYSA-N 314.379 4.792 30 20 DJED Cc1c(C(=O)O[C@@H]2CCC[C@H](C#N)C2)sc2cccc(F)c12 1525049792 YLKNYJNOZWHBSY-NWDGAFQWSA-N 317.385 4.588 30 20 DJED Cc1nsc(NC[C@@H](c2ccc(Cl)cc2)C(C)C)c1C#N 1559185503 UPXIHLQDAKESKJ-OAHLLOKOSA-N 319.861 4.828 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2Nc1nc(C2CCCCC2)ns1 1639868546 XGQBBGKVIMNGLR-INIZCTEOSA-N 324.453 4.557 30 20 DJED Cc1ccc([C@@H](C)Nc2c(Br)cccc2C#N)s1 1642140110 FRLCCXLSJJEASE-SNVBAGLBSA-N 321.243 4.864 30 20 DJED CCN(Cc1ccc(F)c(C#N)c1)c1cccc(C(F)(F)F)c1 1643538914 XFRJYSWCBLQPOZ-UHFFFAOYSA-N 322.305 4.743 30 20 DJED C[C@H]1CCC[C@H](CSc2nc3c(cc2C#N)CCCC3)C1 1643615519 NFUDXYLCBLBRSI-KBPBESRZSA-N 300.471 4.750 30 20 DJED N#Cc1ccnc(SCc2ccc(-c3ccsc3)cc2)c1 1643640390 DHMYUWDSVFGPSF-UHFFFAOYSA-N 308.431 4.974 30 20 DJED Cc1ccc(SCCN(CCC#N)CC(C)(C)C)cc1C 1657378406 ZSKNFYPBHIEYQB-UHFFFAOYSA-N 304.503 4.657 30 20 DJED Cc1cc(CN2CCC[C@@H](c3ccccc3)CC2)ccc1C#N 1663739278 QOZGTLXTMGBEGR-HXUWFJFHSA-N 304.437 4.636 30 20 DJED CC[C@H](C)c1ccc(/C=C/C(=O)c2cc(C(=O)O)ccc2O)cc1 1776698649 PGVSXONVFIGFRD-PPOCWRSBSA-N 324.376 4.500 30 20 DJED O=C1/C(=C/c2cc(Br)cs2)CCc2ccccc21 16049425 HNBMNUWHMCMPQZ-YRNVUSSQSA-N 319.223 4.723 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)Nc1ccccc1CC 56556528 UYLAPNNSJPTLRZ-UHFFFAOYSA-N 312.388 4.608 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccccc1COc1ccccc1 105012526 UKXMZANMXBLSTJ-UHFFFAOYSA-N 324.424 4.696 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C\c1cccc(OCCCC#N)c1)C2 108145166 VXEVQPRXWIJKPY-PDGQHHTCSA-N 317.388 4.500 30 20 DJED CC(C)(C)Sc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1 171169927 DJTKPYQJHKIBDI-UHFFFAOYSA-N 324.449 4.630 30 20 DJED Cc1ncsc1/C=C1\CCSc2ccc(Cl)cc2C1=O 176852336 LHCQBERDQOBDBZ-UXBLZVDNSA-N 321.854 4.867 30 20 DJED C=CCCC[C@@H](C)NC(=O)c1ccc(C2SCCS2)cc1 182628019 BMZKENISMXMTTI-CYBMUJFWSA-N 321.511 4.640 30 20 DJED CC(C)c1ccc(NC(=O)Nc2ccccc2O[C@H](C)C#N)cc1 183532169 LXWIDOSGUUSUPD-CQSZACIVSA-N 323.396 4.745 30 20 DJED CN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CCCCCC1 193047579 NTKLKRBTRNDKCU-UHFFFAOYSA-N 313.445 4.674 30 20 DJED C=CCCO[C@@H](C)c1nc(CSc2ccc(Cl)cc2)no1 273690207 IMOBDDPDNZXIMK-NSHDSACASA-N 324.833 4.669 30 20 DJED C=CC[C@@H](CC)N[C@H](C)c1sc(-c2cccnc2)nc1C 281451579 DIMOOKJLQTVPSA-IUODEOHRSA-N 301.459 4.519 30 20 DJED Cc1ccc(C)c(N=C(O)C2CCC(/N=C(/O)C3CC3)CC2)c1 329961697 OVCSNZBUIUDOLC-UHFFFAOYSA-N 314.429 4.817 30 20 DJED C[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1S[C@H](C)CC#N 341145473 ALUWMSKZYLTXKM-RRFJBIMHSA-N 314.454 4.622 30 20 DJED Cc1ccc(NCc2ccc(C#N)cc2F)cc1C(F)(F)F 386906422 JPGHMUGDWHPCBC-UHFFFAOYSA-N 308.278 4.637 30 20 DJED CC(C)[C@@H]1CCCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 426131872 UCAHATZJSBXZDC-CQSZACIVSA-N 319.836 4.502 30 20 DJED CC1=C(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCC1 437283954 HOFUKLBRHDQQEZ-UHFFFAOYSA-N 318.376 4.789 30 20 DJED N#Cc1csc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 437323159 FVDDESZUCFUAMP-UHFFFAOYSA-N 320.373 4.664 30 20 DJED N#CC1(COc2c(Cl)cc(Cl)c3cccnc23)CCC1 450960973 QBFNBOHDQVBFTF-UHFFFAOYSA-N 307.180 4.614 30 20 DJED Cc1ccc([C@@H]2OCCC[C@H]2CNc2ccc(F)cc2C#N)cc1 463059551 PVXCPNKNZVQKAH-JXFKEZNVSA-N 324.399 4.586 30 20 DJED C[C@H](CC1CCCC1)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 464956663 WJPCQCTXQGKYGT-UXPWSPDFSA-N 324.468 4.501 30 20 DJED N#CCCCOc1cccc(NC[C@H]2C[C@H]2c2ccccc2)c1 503041976 CNMCBFMVPPKCRC-XLIONFOSSA-N 306.409 4.585 30 20 DJED C=CCOc1cccc(NC(=O)N(C)C2CCC(CC)CC2)c1 503262958 AFUYSBHHDOABCV-UHFFFAOYSA-N 316.445 4.684 30 20 DJED CC(C)(CCC#N)CN1CCc2c(ccc(Cl)c2Cl)C1 513112145 UEMUJGMNPISHQU-UHFFFAOYSA-N 311.256 4.681 30 20 DJED C[C@@H](Nc1cccnc1C#N)c1cc(F)c(Cl)cc1Cl 515445470 PLKGQYMNRRBJPA-MRVPVSSYSA-N 310.159 4.572 30 20 DJED C=CCC[C@H](NC(=O)c1cccc2[nH]ccc12)c1ccccc1 533261697 IDHIKLOQMPZBSY-SFHVURJKSA-N 304.393 4.605 30 20 DJED COCCC[C@@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 543960971 HXSQZZDCQSWKCZ-IAGOWNOFSA-N 322.452 4.691 30 20 DJED C[C@@H](CCc1ccc(F)cc1F)N[C@H](C)c1cccc(C#N)c1 586790626 VDUKGUAMSIXUPX-UONOGXRCSA-N 314.379 4.508 30 20 DJED C=CCCC(=O)Nc1cccc(-c2ccc3ccccc3c2)n1 591183669 KRCKDWCWLUQCCX-UHFFFAOYSA-N 302.377 4.807 30 20 DJED C[C@@H](SCc1cc(C#N)ccc1F)c1c(F)cccc1F 604434626 URYWRWVLNVJEMV-SNVBAGLBSA-N 307.340 4.970 30 20 DJED CC(C)Oc1c(Cl)cccc1N[C@H](C#N)Cc1ccccc1 609825291 PLKRWSUUMRXWHP-HNNXBMFYSA-N 314.816 4.674 30 20 DJED CC(C)Sc1ccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 610359219 GDYISONYYIOCOC-AWEZNQCLSA-N 324.449 4.550 30 20 DJED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1coc2ccccc12 611276601 MEYKUVCMQUDMTI-PMACEKPBSA-N 316.404 4.705 30 20 DJED C#Cc1cccc(NC(=S)N[C@@H](c2ccccc2)C(C)(C)C)c1 726482567 KQXWQAXSOAWIFB-SFHVURJKSA-N 322.477 4.742 30 20 DJED C=CC[C@H](NC(=O)C[C@H](c1ccccc1)C(C)C)c1ccncc1 734459089 FKVUCQFPUYABMA-PMACEKPBSA-N 322.452 4.645 30 20 DJED C=C(Cl)CNC(=S)Nc1c(C(C)C)cccc1C(C)C 735981540 ISZOGKTZPZHRIA-UHFFFAOYSA-N 310.894 4.972 30 20 DJED CCCCCOc1ccc(/C=C\C(=O)c2cncc(F)c2)cc1 737446077 NNLJDHVSFHGKBR-YFHOEESVSA-N 313.372 4.686 30 20 DJED CCCCCCCCC(=O)Nc1ccc(-c2nnc(C)o2)cc1 741944397 PAMIWMSDAFPCPB-UHFFFAOYSA-N 315.417 4.734 30 20 DJED Cc1cccc2sc(C(=O)O[C@H](C)C(C)(C)C#N)c(Cl)c12 753622608 ZWEGEBBYNKDOHH-SNVBAGLBSA-N 321.829 4.958 30 20 DJED O=C(/C=C/c1ccc(OCC(F)(F)F)c(F)c1)c1ccccc1 758018543 YHIXREUWMKRYFQ-SOFGYWHQSA-N 324.273 4.663 30 20 DJED C(CCC1CCOCC1)=NNCc1ccc(-c2ccccc2)cc1 764907821 DPOVLOPRFMNPEW-UHFFFAOYSA-N 322.452 4.636 30 20 DJED CCn1nc(/C=C/C(=O)c2cccc(Cl)c2)c2ccccc21 769743198 MDYAMONPTXRRKH-ZHACJKMWSA-N 310.784 4.606 30 20 DJED C#CC[C@H](N[C@@H](CCC)c1cccc([N+](=O)[O-])c1)c1ccccc1 773105610 IFBQRJSIKWIAKN-PMACEKPBSA-N 322.408 4.790 30 20 DJED O=C1/C(=C\c2ccc([N+](=O)[O-])c(Cl)c2)CCc2sccc21 774139389 PZXWKICMAOMANB-YFHOEESVSA-N 319.769 4.522 30 20 DJED C=CCCCCC[C@@H](C)NCC(=O)Nc1c(C)cc(C)cc1C 793519324 QTWCYCDAUKYAIT-GOSISDBHSA-N 316.489 4.665 30 20 DJED CCC(=NNc1ncnc(Cl)c1C(C)C)c1cccs1 797403860 ASXHBJRFQIUWKV-UHFFFAOYSA-N 308.838 4.541 30 20 DJED CCCOc1cc(/C=C\C(=O)c2cc(C)c(C)o2)ccc1OC 799895323 AEIJUSGMNRJLLY-VURMDHGXSA-N 314.381 4.590 30 20 DJED Cc1cc(C(=O)/C=C/c2cn(C)nc2C2CCCCC2)oc1C 799897067 MPWVOIGLQXWRRT-MDZDMXLPSA-N 312.413 4.574 30 20 DJED COc1ccc(C(=O)/C=C\c2csc3ccccc23)c(OC)c1 810193037 OFHFLJKJCGTZTJ-YFHOEESVSA-N 324.401 4.815 30 20 DJED CC(=NNc1ccccc1Br)c1ccccc1C 812462051 GHTJPJRSPQECOB-UHFFFAOYSA-N 303.203 4.594 30 20 DJED C=CCCC[C@H](NCc1cccc(-c2ccccc2C)c1)C(=O)O 900068581 LFZKGRILHPYARH-FQEVSTJZSA-N 323.436 4.561 30 20 DJED CC(C)COc1ccc(N=Cc2cccc(O)c2O)cc1Cl 914600376 SMESTFOMBYAFBZ-UHFFFAOYSA-N 319.788 4.537 30 20 DJED N#Cc1ccc(OCCCSc2cccc3cccnc23)cc1 915793051 LJAUGFTUEDVYIC-UHFFFAOYSA-N 320.417 4.668 30 20 DJED COc1cccc(NN=Cc2csc(-c3ccc(C)cc3)n2)c1 918711366 WURPNDSJRFXFGK-UHFFFAOYSA-N 323.421 4.573 30 20 DJED CCc1nc(S[C@H](C#N)Cc2ccc(C)cc2)sc1C 1166468093 VFNNXPJOCVGIHH-AWEZNQCLSA-N 302.468 4.549 30 20 DJED N#CCOc1cc(F)ccc1N[C@@H]1CC[C@@H](Cc2ccccc2)C1 1180723740 NYXNABSNAQTBPM-FUHWJXTLSA-N 324.399 4.551 30 20 DJED Cc1ccccc1-n1ccnc1S[C@@H](C)c1ccc(C#N)cc1 1307274145 UGIMGMJRSXNHOG-HNNXBMFYSA-N 319.433 4.906 30 20 DJED Clc1nccnc1NN=CC1CCC(c2ccccc2)CC1 1325140798 VYFVQTBHHXWYTQ-UHFFFAOYSA-N 314.820 4.502 30 20 DJED C=CCCC(=O)N[C@@H](c1ccc(CC)cc1)c1cccc(F)c1 1338289707 OIIFDRICJKSUTC-FQEVSTJZSA-N 311.400 4.560 30 20 DJED CCC(C#N)(CC)C(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 1435443590 NRFUJKILOIWVOI-UONOGXRCSA-N 320.864 4.620 30 20 DJED CCc1ccc2occ(C(=O)O[C@@H](C)c3ccc(C#N)cc3)c2c1 1457188512 BHXBRVYSZOJOKF-ZDUSSCGKSA-N 319.360 4.785 30 20 DJED Cc1cc(C#N)ccc1CN1CCCc2cccc(C(C)C)c21 1460245741 MMTBJTPDYWPQKT-UHFFFAOYSA-N 304.437 4.943 30 20 DJED C=C(CNC(=O)N(CCC)Cc1ccc(C)cc1)c1ccccc1 1478771704 MOTUONURZVPQCJ-UHFFFAOYSA-N 322.452 4.630 30 20 DJED N#C[C@H]1CCC[C@@H](OC(=O)c2cc3cccc(Cl)c3s2)C1 1528488703 BKQLOEOZQUVMPF-CMPLNLGQSA-N 319.813 4.794 30 20 DJED C[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCCC1 1562110930 ZOQKFEBDHGOTSG-LBPRGKRZSA-N 319.836 4.692 30 20 DJED CC1(C)CC(CNCc2ccc(C#N)cc2F)CC(C)(C)C1 1620999085 ZZVPBCXABQASDE-UHFFFAOYSA-N 302.437 4.639 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)CC[C@@H]1CCc2ccccc21 1643522691 BEIGUVWMSYFAPX-LPHOPBHVSA-N 304.437 4.671 30 20 DJED CCc1ccc([C@H](NCc2ccc(C#N)cc2OC)C(C)C)cc1 1644881245 LDGXAVOSEZKDMM-OAQYLSRUSA-N 322.452 4.616 30 20 DJED CCOc1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)c(C)c1 1651760720 IBECXAVJORXLAZ-UHFFFAOYSA-N 322.452 4.676 30 20 DJED COc1ccc(C#N)cc1CSCc1ccccc1C1CC1 1652778385 BNUQXBCMCCKEJE-UHFFFAOYSA-N 309.434 4.878 30 20 DJED N#Cc1cnc(S[C@@H]2CCCc3ccccc32)c(Cl)c1 1655238794 OEDOWQIANISPSZ-OAHLLOKOSA-N 300.814 4.776 30 20 DJED CC(C)(C)Oc1cccc(CN[C@H]2CCc3cc(C#N)ccc32)c1 1656186158 BUKTYJFEEXEHJC-FQEVSTJZSA-N 320.436 4.513 30 20 DJED Cc1ccc(C[C@@H](C#N)Sc2nc(C(C)C)cs2)cc1 1656699259 WOZVDZOFGTUPNU-AWEZNQCLSA-N 302.468 4.802 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 1658351423 OZENGBMGUGNDNA-LFVTVUPYSA-N 302.849 4.648 30 20 DJED Cc1ccc(-c2ccccc2CN2CCC[C@H](C#N)C2)c(C)c1 1660682215 WRBWDUUPGBCKRL-GOSISDBHSA-N 304.437 4.706 30 20 DJED N#Cc1ccc(COc2ccc(-c3ccc(C#N)cc3)cc2)cc1 5407005 YHFIHGIOXVGHLO-UHFFFAOYSA-N 310.356 4.676 30 20 DJED COc1cccc(C(=O)/C=C/c2ccc3cc(OC)ccc3c2)c1 6340388 MUVDRSSMUXJNGT-YRNVUSSQSA-N 318.372 4.753 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1cccc(Cl)c1F 43450465 VHSTVXRGDSIRET-UHFFFAOYSA-N 324.808 4.761 30 20 DJED O=C(/C=C\c1ccccc1OCc1ccccc1)c1cccnc1 96288936 LJLHBGVOUAGOHF-SEYXRHQNSA-N 315.372 4.557 30 20 DJED Cc1ccc(NC(=O)CS[C@@H](C)c2ccc(C#N)cc2)c(C)c1 118445259 XXXQRHCRJMGATB-HNNXBMFYSA-N 324.449 4.608 30 20 DJED C[C@@H](N[C@H](C)c1ncc(-c2ccccc2)o1)c1ccc(C#N)cc1 173904076 JWERPTDZTZRENC-HUUCEWRRSA-N 317.392 4.625 30 20 DJED C[C@H](CCc1cccc(F)c1)Nc1ccccc1O[C@H](C)C#N 180202720 LPPQIQGUHOGZPZ-HUUCEWRRSA-N 312.388 4.550 30 20 DJED CCSc1ccc([C@H](C)NCc2ccc(F)cc2C#N)cc1 182132594 AQRNVYYCBASYLV-ZDUSSCGKSA-N 314.429 4.660 30 20 DJED Cc1cc(C#N)ccc1CN[C@H](C)c1ccc(OC(C)C)cc1 186319216 XCGWNPFNGDITKZ-MRXNPFEDSA-N 308.425 4.505 30 20 DJED C[C@H](Sc1ncccc1C#N)c1ccc(OC(F)(F)F)cc1 301113886 UKFIIQMVGSABLQ-JTQLQIEISA-N 324.327 4.705 30 20 DJED Cc1cccc(C2(/C(O)=N/[C@@H]3CCCc4c[nH]nc43)CCCC2)c1 330082980 BDTHRNDAZLYAOQ-QGZVFWFLSA-N 323.440 4.564 30 20 DJED CC(C)Oc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 341756586 FTPQZWWNEYDWKF-NRFANRHFSA-N 320.436 4.513 30 20 DJED CCCCCCCN[C@H](C)c1ncc(Br)s1 381552650 NHWHZNPCNNOHOJ-SNVBAGLBSA-N 305.285 4.527 30 20 DJED C=C[C@@H](CC(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccccc1 437444009 AWPUKAYTGVSBNW-QSFXBCCZSA-N 323.411 4.548 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1ccccc1-c1csc(C)n1 439423314 SAQISVCWFZCHAA-ZDUSSCGKSA-N 315.442 4.595 30 20 DJED C=CCOc1ccccc1CN[C@@H](C)c1ccccc1SC 442788314 IPZKICJAAXNVKA-HNNXBMFYSA-N 313.466 4.824 30 20 DJED C[C@H](NCc1ccc(-c2ccco2)cc1F)c1cccc(C#N)c1 447795307 NHIZCWPPEWPNFV-AWEZNQCLSA-N 320.367 4.808 30 20 DJED N#Cc1c(F)cccc1Nc1cccc(Oc2ccccn2)c1 463060064 VBFURYAYFAFPHX-UHFFFAOYSA-N 305.312 4.628 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H]1C[C@H]1c1ccccc1 463190357 CRSUFVRZEOPEFP-SFTDATJTSA-N 323.484 4.646 30 20 DJED CC(C)(C)[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1F 463239241 VBMADKFRNDCPHQ-SUYBPPKGSA-N 306.400 4.724 30 20 DJED C=CCOCCCC(=O)N(Cc1ccccc1)c1cccc(C)c1 463754500 PRVDKAFTRLQYKI-UHFFFAOYSA-N 323.436 4.511 30 20 DJED C=C[C@@](C)(CC)C(=O)NCC(c1ccccc1)c1ccccc1 466362542 OETHCXZVEOJPID-NRFANRHFSA-N 307.437 4.537 30 20 DJED C=CCSc1ccccc1C(=O)N[C@@H](C)c1cc(C)oc1C 485456357 RRALLPJYOXYHOQ-ZDUSSCGKSA-N 315.438 4.666 30 20 DJED C=CCSc1ccccc1C(=O)Nc1ccc(F)c(C)c1 485471785 ZPHMQAGZQIMVNJ-UHFFFAOYSA-N 301.386 4.665 30 20 DJED CCCN(C(=O)c1ccc(C#N)cc1)[C@H](CC)c1ccccc1 499126659 HPYNKCXFKBPZQJ-LJQANCHMSA-N 306.409 4.562 30 20 DJED CCSc1ccc([C@H](C)Nc2ccc(C#N)cc2F)cc1 505614962 ZLIKLCPFFIKFLM-LBPRGKRZSA-N 300.402 4.982 30 20 DJED C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2ccc(C#N)cc2)C1 513515739 QGJSUQIDIGUAPC-BEFAXECRSA-N 319.408 4.563 30 20 DJED C[C@@H](Nc1cccc(C#N)n1)c1ccc(Oc2ccccc2)cc1 522936605 RZUALOHIAJYMCK-OAHLLOKOSA-N 315.376 4.919 30 20 DJED CCC(C#N)(CC)c1nc(-c2c(Cl)cccc2Cl)no1 530158595 VKLHUOCESWHPBM-UHFFFAOYSA-N 310.184 4.625 30 20 DJED C[C@H]1Cc2ccc(F)cc2[C@H]1Nc1cccc(OCCCC#N)c1 537424634 BGFMBUIAPWBOGL-XOBRGWDASA-N 324.399 4.854 30 20 DJED C=CCC(C)(C)C(=O)Nc1ccc(COC2CCCC2)cc1 559949585 MMTPYTSRMZEZIL-UHFFFAOYSA-N 301.430 4.687 30 20 DJED CC(C)Oc1cccc([C@H](NCC(C)(C)CCC#N)C(F)F)c1 566473975 CDJUGGSVXALWII-INIZCTEOSA-N 324.415 4.700 30 20 DJED C[C@@H]1CCc2c(F)cccc2[C@@H]1N[C@@H]1CCc2ccc(C#N)cc21 567798163 FYBAMDBHDMHDIZ-OBVPDXSSSA-N 320.411 4.598 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCc2ccc(F)cc21 577006103 JXZQWHPZJGNBNC-SFTDATJTSA-N 320.411 4.742 30 20 DJED CC(C)(CCC#N)CNCc1cc(Cl)cc(C(F)(F)F)c1 579278524 XDQFJMOCWGUMGX-UHFFFAOYSA-N 318.770 4.778 30 20 DJED N#CC1(CSCc2ccc(Cl)c(C(F)(F)F)c2)CC1 596387771 GXOKKKBIEQIMHL-UHFFFAOYSA-N 305.752 4.896 30 20 DJED C=CC1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 599687612 KJHMCHNCVSGCOC-UHFFFAOYSA-N 305.830 4.593 30 20 DJED CC(C)(C#N)CCCSCc1cccnc1C(F)(F)F 600638138 RFHXFAGJGDDBLD-UHFFFAOYSA-N 302.365 4.664 30 20 DJED C[C@@H](Nc1cccc(C(=O)OC(C)(C)C)c1)c1cccc(C#N)c1 600857385 MBYLAZOCEIZIJI-CQSZACIVSA-N 322.408 4.687 30 20 DJED C#Cc1cccc(N(C(=O)C[C@@H](C)c2ccc(F)cc2)C(C)C)c1 728245605 FYJJCQPGTPCKSR-MRXNPFEDSA-N 323.411 4.742 30 20 DJED COc1ccc(/C=C2/C(=O)c3ccsc3S[C@H]2C)cc1C 742435933 BXEXIBHRSJHRSW-LUHPIMIVSA-N 316.447 4.826 30 20 DJED C=C(C)CNC(=S)N(Cc1ccccc1)[C@H](C)c1ccccc1 745647476 NUYPXYOKFKKPRH-QGZVFWFLSA-N 324.493 4.700 30 20 DJED CCCn1nc(C)c(/C=C/C(=O)c2c(C)[nH]c3ccccc23)c1C 759664802 CJYIDSRGRQLZNX-ZHACJKMWSA-N 321.424 4.596 30 20 DJED N#C[C@@H]1CCC[C@H](Nc2ccc(OC3CCCC3)c(F)c2)C1 765919354 BEMSSAGZWPZRRO-KGLIPLIRSA-N 302.393 4.641 30 20 DJED COc1ccc2cc(C(C)=NNc3cccc(C#N)c3)ccc2c1 767335883 HRJVEMKXLYNJHO-UHFFFAOYSA-N 315.376 4.556 30 20 DJED O=C(/C=C/c1ccc(F)cc1Br)c1ccccc1F 767718964 ZKFXVCHCRXMFGM-SOFGYWHQSA-N 323.136 4.623 30 20 DJED Cc1cccc([C@H]2CCCN2Cc2ccc(O[C@H](C)C#N)cc2)c1 768329889 JXLZRZQAHDSKMU-DYESRHJHSA-N 320.436 4.623 30 20 DJED C=CCCC[C@@H](C)NC(=S)Nc1ccc(OC(C)C)cc1 776199885 AMPGPSWBYQYTFV-CQSZACIVSA-N 306.475 4.505 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc(OC(F)F)cc1 776802273 LRHABQNIVZFNOJ-KRWDZBQOSA-N 314.335 4.649 30 20 DJED O=C(/C=C/c1cc(F)c(O)c(F)c1)c1cc2ccccc2s1 780189307 ZGIGYMPFUWTFCH-AATRIKPKSA-N 316.328 4.781 30 20 DJED CCC1(C=NNc2c(Cl)cc(F)cc2Cl)CCOCC1 781128295 QAXQZISXEGKUOP-UHFFFAOYSA-N 319.207 4.737 30 20 DJED CC(C)c1ccc([C@@H](C)NN=Cc2scnc2C2CC2)cc1 782206692 QPNRKKRXKCXSNZ-CYBMUJFWSA-N 313.470 4.829 30 20 DJED C=CCC[C@@H](C(=O)O[C@H](C)c1ncccc1F)c1ccccc1 791801978 UUQMNGDYEXJKBD-GDBMZVCRSA-N 313.372 4.575 30 20 DJED CC[C@H](C#N)OC(=O)c1csc(-c2ccc(Cl)cc2)c1 795872967 ZGEUUDGTUIZKOZ-CYBMUJFWSA-N 305.786 4.527 30 20 DJED Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCc1ccc(C#N)cc1 808677292 TUQDLKHEBSRCND-FQEVSTJZSA-N 315.420 4.515 30 20 DJED C=CC[C@H](NC1CCC(OC2CCCC2)CC1)c1ccncc1 823887520 IJWUFHHTOOEKDQ-UUKMXZOPSA-N 314.473 4.559 30 20 DJED C=C[C@@H](CC(=O)[C@H](C#N)c1nc(C2CC2)cs1)c1ccccc1 842940656 HWJNGKLDRUSDDI-BBRMVZONSA-N 322.433 4.557 30 20 DJED Cc1ccc(/C=C/C(=O)c2c(C)[nH]c3ccccc23)cc1[N+](=O)[O-] 915114815 RHPIAECXUGOKMR-MDZDMXLPSA-N 320.348 4.589 30 20 DJED Cc1ccc(C)c(NN=Cc2ccc(CSC(F)F)o2)c1 916346597 KDXPTVAXMBGXEU-UHFFFAOYSA-N 310.369 4.798 30 20 DJED CCc1ccc2ccccc2c1CNc1nc(C)ccc1C#N 1164099500 ZTFVEFDYMYRNEW-UHFFFAOYSA-N 301.393 4.589 30 20 DJED CC[C@H]1c2ccsc2CCN1CCC1(C#N)CCCCC1 1167003647 BQBYRKUMEXUYJR-INIZCTEOSA-N 302.487 4.921 30 20 DJED CCCC1CCC(N(C)C(=O)Nc2cccc(C#N)c2C)CC1 1201839691 NZXLAGMIEAPPIW-UHFFFAOYSA-N 313.445 4.689 30 20 DJED N#CCc1cccc(-c2nnc(-c3ccc4ccccc4c3)o2)c1 1256052719 DIDFXESOVMLFAI-UHFFFAOYSA-N 311.344 4.623 30 20 DJED Cc1ccccc1[C@H](C)CC(=O)O[C@H](C)c1ccc(C#N)cc1 1265620745 SRSIMSDELPMNJE-HZPDHXFCSA-N 307.393 4.665 30 20 DJED CCC(C)(C)c1ccc(C(=O)Nc2ccc(C#N)c(F)c2)cc1 1274874961 FWDJYYFPFXUQGD-UHFFFAOYSA-N 310.372 4.637 30 20 DJED N#Cc1cccc(CN2CCCCC[C@H]2c2ccccc2)c1F 1307444262 RCZMZRZYXQAXJT-IBGZPJMESA-N 308.400 4.815 30 20 DJED C[C@@H]1CC[C@H](C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 1359977384 MVAIGQSCETUKSZ-ZBFHGGJFSA-N 320.392 4.725 30 20 DJED CCC[C@@H](CC1CCCC1)C(=O)Nc1cc(C#N)ccc1F 1436644412 WKONPBGSMUJJOE-HNNXBMFYSA-N 302.393 4.632 30 20 DJED CC[C@H](c1ccccc1)[C@@H]1CCCN1CCc1ccc(C#N)cc1 1459653065 NQMUNUUPNVXNRL-YADHBBJMSA-N 318.464 4.759 30 20 DJED N#CCC1(CN[C@H]2CCCC[C@H]2c2ccccc2Cl)CC1 1462164062 QIDZDHAJIIPLKB-RDJZCZTQSA-N 302.849 4.650 30 20 DJED CC(C)(CC#N)CN[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 1462324842 CFPRAVHJDQULHH-CVEARBPZSA-N 324.390 4.871 30 20 DJED Cc1cc(C#N)ccc1CN1CC[C@@H](c2ccccc2)C1(C)C 1473560727 BDJJJXUOGWTUBS-FQEVSTJZSA-N 304.437 4.635 30 20 DJED Cc1nc(S[C@H](C#N)CCc2ccccc2)c2ccccc2n1 1559315516 YKTKIDDKVLDZJZ-INIZCTEOSA-N 319.433 4.555 30 20 DJED COc1cc(CNc2cccc(-c3cccs3)c2)ccc1C#N 1560381079 YJGWAFIYQZXJAW-UHFFFAOYSA-N 320.417 4.907 30 20 DJED C[C@H](CC#N)N(C)C/C=C/c1ccc(OCc2ccccc2)cc1 1560657223 GHLJIJWBEOUUFQ-AHKGRUIUSA-N 320.436 4.513 30 20 DJED CCCc1ccc([C@@H](Nc2ncc(C#N)cc2F)C(C)C)cc1 1639407324 ZVQAKBUFXJKMMK-SFHVURJKSA-N 311.404 4.854 30 20 DJED Cc1nc(Oc2cc(C)c(C#N)c(C)c2C)c2c(C)csc2n1 1651830273 RFLYFLSWOFYNRY-UHFFFAOYSA-N 323.421 4.897 30 20 DJED N#Cc1ccc(CCN2CCC[C@@H]2CCCc2ccccc2)cc1 1653778716 RXBWAGDQETUTJO-QFIPXVFZSA-N 318.464 4.588 30 20 DJED CC(C)CN(Cc1ccc(C#N)s1)c1ccccc1Cl 1654518479 PGJTZLMFQCYQCP-UHFFFAOYSA-N 304.846 4.936 30 20 DJED Cc1ccc(Oc2ccc(Nc3ncccc3C#N)cc2)cc1 1655041797 XRWADBIVCOWDBL-UHFFFAOYSA-N 301.349 4.798 30 20 DJED Cc1cc(N[C@H](c2ccccc2F)C2CCCC2)ncc1C#N 1655243422 SRFJNYPJDJTRDO-IBGZPJMESA-N 309.388 4.744 30 20 DJED CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC[C@@H](C)CCC#N 1659869228 SPNTXHGRYKTOHI-YJBOKZPZSA-N 306.881 4.827 30 20 DJED CCCC[C@@H](CC)CNC(=O)Nc1ccc(C#N)cc1Cl 1667926488 RPAXBTSYYUNVRP-GFCCVEGCSA-N 307.825 4.550 30 20 DJED CCC(C)(C)C1CCC(NC(=O)Nc2sccc2C#N)CC1 1671445233 JIADBGPKXZJLGM-UHFFFAOYSA-N 319.474 4.736 30 20 DJED Cc1cc(C#N)cc(NC(=O)N(C)[C@@H]2CCC[C@@H]2C(C)(C)C)c1 1672780611 AHGJNSSYBCAOEQ-DLBZAZTESA-N 313.445 4.545 30 20 DJED CC[C@H](C)c1ccc(C(=O)/C=C/c2ccc(C(=O)O)s2)cc1 1776697882 UOGYHIOHDARWEY-OANVXVOSSA-N 314.406 4.856 30 20 DJED CC(C)Oc1ccccc1/C=C/C(=O)c1ccc(F)cc1F 57435344 QWIQBHLXYBBENT-JXMROGBWSA-N 302.320 4.648 30 20 DJED CC[C@H](NCc1cccc(O[C@@H](C#N)CC)c1)c1ccccc1 72997926 AJFQKUHCNVHSHU-QUCCMNQESA-N 308.425 4.608 30 20 DJED Cc1ccc(NC(=O)c2cccc(SCC#N)c2)cc1Cl 79380354 QAAWCDSWEWWHBW-UHFFFAOYSA-N 316.813 4.516 30 20 DJED C=C[C@@H](CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccccc1 121597816 KLTVIKPNUJBRCA-HNNXBMFYSA-N 324.380 4.510 30 20 DJED C[C@@H](NCc1ccc(F)c(C#N)c1)c1cccc(C(F)(F)F)c1 136221684 JVAFCZFVGYXSKL-LLVKDONJSA-N 322.305 4.567 30 20 DJED COc1cccc(/C=N\[C@@H](C)c2cccc3ccccc23)c1O 166227786 PQJWKAUTACBFKG-DTHVTWRFSA-N 305.377 4.734 30 20 DJED C[C@@H](NCc1ccc(C#N)s1)c1cccc(Cl)c1Cl 176971996 SBUUZFWQISVERK-SECBINFHSA-N 311.237 4.777 30 20 DJED Cc1cccc(/C=C\C(=O)c2cnn(-c3ccc(F)cc3)c2C)c1 214114934 AIKHSXMPQIPUSN-WDZFZDKYSA-N 320.367 4.524 30 20 DJED Cc1cc(C)c2ncc(C#N)c(N[C@@H](C)c3cccc(O)c3)c2c1 302889792 PAZJAGUBNINNJC-AWEZNQCLSA-N 317.392 4.602 30 20 DJED CC(C)Oc1cccc([C@H](C)Nc2c(F)cc(C#N)cc2F)c1 303055810 WPRZUJLDMCXIDN-LBPRGKRZSA-N 316.351 4.797 30 20 DJED Cc1ccc([C@H]2CCCCCN2Cc2cc(C#N)ccc2F)o1 303795847 VTXPOTOJWWDNBM-GOSISDBHSA-N 312.388 4.716 30 20 DJED CC[C@@H]1C[C@H](/C(O)=N/Cc2ccc(C3CCC3)cc2)CC(O)=N1 330220944 LDGXSSBIJBOBJP-DLBZAZTESA-N 314.429 4.556 30 20 DJED C[C@H](N[C@H](CC(F)F)c1ccccc1)c1ccc(C#N)c(F)c1 421866495 ALOYWGHBCKDUNQ-YVEFUNNKSA-N 318.342 4.744 30 20 DJED CC1=C(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCC1 437353159 HWABADFCGOGWCO-UHFFFAOYSA-N 318.376 4.789 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1CCC[C@H]1c1cccc(N(C)C)c1 442686024 YHVZCACKOOQYQN-KKSFZXQISA-N 319.452 4.522 30 20 DJED C=CCC(CC=C)C(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 457283561 PSINSXVWMHIYFM-LJQANCHMSA-N 309.453 4.899 30 20 DJED CCC[C@@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)C1CCCCC1 462042321 XNVDUFJQUJIION-HNAYVOBHSA-N 312.457 4.527 30 20 DJED CC(C)(C)[C@@H]1CN(C(=O)c2ccc(CC#N)cc2)c2ccccc21 470280011 NDCVHOXFUBSDLU-GOSISDBHSA-N 318.420 4.543 30 20 DJED CSc1ccc(N[C@@H]2CCCCc3cc(C#N)ccc32)nc1 481989241 FYBGJQWGYNTLON-QGZVFWFLSA-N 309.438 4.555 30 20 DJED CO[C@@H](CSc1ccc(C#N)cc1)c1ccc(Cl)cc1 509104274 VATAFGVQCSPVHT-INIZCTEOSA-N 303.814 4.691 30 20 DJED COc1ccccc1[C@@H]1CC[C@@H](C)CN1CCCC(C)(C)C#N 510258544 ZQNDRJAHKIUZQO-AEFFLSMTSA-N 314.473 4.798 30 20 DJED C[C@@H](NCC1(c2ccc(Cl)cc2)CC1)c1cccc(C#N)c1 540594896 HKYQFDKAKSFHIH-CQSZACIVSA-N 310.828 4.594 30 20 DJED CC[C@](C)(C#N)c1nc(-c2cc3cc(Cl)cc(C)c3o2)no1 589150492 LUPOIAJEUFPSGY-MRXNPFEDSA-N 315.760 4.636 30 20 DJED C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCCC[C@H]1CCC 590639054 CWVRPFJFUIRGPH-NVXWUHKLSA-N 320.502 4.805 30 20 DJED N#CC[C@@H]1CCCN(c2nc(-c3ccccc3Cl)cs2)C1 596328112 GNUGFNRGLPSVKY-LBPRGKRZSA-N 317.845 4.594 30 20 DJED Cc1cc(C#N)ccc1CN(C)[C@H](C)c1cc2ccccc2o1 614396096 VDRJAQBNFAGDDJ-OAHLLOKOSA-N 304.393 4.806 30 20 DJED Cc1cccc2nc([C@H](C#N)C(=O)CCCCCC(C)C)[nH]c12 749036960 IVYSWDXDRQIZQO-OAHLLOKOSA-N 311.429 4.654 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cc2c(cc1O)CCCC2 756454266 BVSNXTDXYRXCMR-CABCVRRESA-N 320.436 4.554 30 20 DJED Cc1cc(/C=C/C(=O)c2c[nH]c3cc(F)ccc23)cnc1Cl 760264624 KKPKDPWKRJFPEN-GORDUTHDSA-N 314.747 4.560 30 20 DJED CC1(C)/C(=C\c2cnc(C3CCC3)s2)C(=O)c2ccccc21 760266627 XEEAAPJDAIURSR-YBEGLDIGSA-N 309.434 4.968 30 20 DJED O=C(/C=C\c1ccc(-c2cccs2)cc1F)c1ccncc1 776187997 GSMZOYBOHQHQBJ-WAYWQWQTSA-N 309.365 4.845 30 20 DJED COc1cc(NN=C(C)[C@H](OC)c2ccccc2)ccc1Cl 788471953 LMXWHGCMZYMRMP-KRWDZBQOSA-N 318.804 4.524 30 20 DJED O=C(/C=C/c1nccn1-c1ccccc1)c1cc2ccccc2o1 790209540 SCTNRWOMWPVTAY-ZHACJKMWSA-N 314.344 4.515 30 20 DJED CCCCCCCCCCC(=O)N1CCC[C@H]1c1nc(C)no1 804906010 CMWIULOFUULHAH-INIZCTEOSA-N 321.465 4.572 30 20 DJED CC1(C)C[C@@H](NN=C2CCCC[C@@H]2C2CCCCC2)CCO1 814908299 MWIBFZXJQZFNHR-DLBZAZTESA-N 306.494 4.660 30 20 DJED CCCCCCCCC(=O)Nc1nc(-c2ccncc2)cs1 825116430 IKTJQBPMDXDNLC-UHFFFAOYSA-N 317.458 4.894 30 20 DJED CCCCCCCC(=O)N[C@@H](c1nc(C)cs1)C(F)(F)F 833141689 FHTJKSDWTKNIIZ-LBPRGKRZSA-N 322.396 4.532 30 20 DJED C[C@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)C1CCC1 838790505 HRLCGUZGASVBRW-CABZTGNLSA-N 318.829 4.562 30 20 DJED CC(=NNc1cccc(F)c1Cl)c1c(C)nn(C(C)C)c1C 863158727 NQJVWPWYDRZETN-UHFFFAOYSA-N 322.815 4.709 30 20 DJED CCCCCCC[C@H](C)CNC(=O)N(C)Cc1ccccc1O 918136658 RAUFHEZLBHMFHM-INIZCTEOSA-N 320.477 4.530 30 20 DJED CC(C)c1ccc([C@H](NCC2(C#N)CCC2)c2cccnc2)cc1 926626963 MKAXZPHAVULVPV-FQEVSTJZSA-N 319.452 4.578 30 20 DJED CCSc1ccccc1C(=O)O[C@H](C)c1ccc(C#N)cc1 1126637566 KOVXRQUPSPEEFD-CYBMUJFWSA-N 311.406 4.588 30 20 DJED C#CCCCCCC(=O)N1CCC[C@H]1c1cccc(Cl)c1 1319940976 VNLLWEFRXVDFHX-KRWDZBQOSA-N 303.833 4.587 30 20 DJED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(-c3ccccc3)s2)C1 1460800497 ZQPQFIDODYKFNU-DZGCQCFKSA-N 311.406 4.654 30 20 DJED CCCC[C@H]1CCC[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N 1472685654 XCERTDMYAXEMGN-AAEUAGOBSA-N 311.351 4.743 30 20 DJED Cc1ccc([C@@H]2CCC[C@H]2N(C)Cc2ccc(C#N)c(C)c2)cc1 1474313417 XXNUUXXFLNVQMV-FCHUYYIVSA-N 318.464 4.943 30 20 DJED CC1(C)CCC(CNC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1475884831 YFORLUOHHSUDLA-UHFFFAOYSA-N 319.836 4.550 30 20 DJED C[C@H]1CC[C@H](CC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 1526614171 YCDQWEBJAMSPPG-KBPBESRZSA-N 314.429 4.500 30 20 DJED N#CCC[C@@H](Nc1cnc2cc(Cl)ccc2n1)c1ccccc1 1559145373 SYAQBSGLVVLAKV-OAHLLOKOSA-N 322.799 4.740 30 20 DJED Cc1sc2ncnc(SCc3ccc(C#N)s3)c2c1C 1559331146 DRXNWZMSEINKGZ-UHFFFAOYSA-N 317.464 4.534 30 20 DJED Cc1cc(OCc2coc(-c3cccc(Cl)c3)n2)ccc1C#N 1559406069 AZZCQYRDWSJXRH-UHFFFAOYSA-N 324.767 4.754 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 1583559012 BYEJZLMYXWVBTR-QRKUABHPSA-N 319.404 4.569 30 20 DJED CC(C)(CCCc1ccccc1)C(=O)Nc1cccc(CC#N)c1 1587603853 UXJFBWWMGPPHHF-UHFFFAOYSA-N 320.436 4.740 30 20 DJED CCc1ccc([C@@H]2CCCN(Cc3cccc(C#N)c3F)C2)cc1 1617751023 ZILLTACHWCKIOE-LJQANCHMSA-N 322.427 4.639 30 20 DJED N#Cc1ccsc1NC(=O)N1CCC[C@@H]1CCC1CCCC1 1626074468 QTNNNPOQGIPDJK-OAHLLOKOSA-N 317.458 4.586 30 20 DJED CCC[C@H](C)[C@@H]1CCCN1Cc1ccc(C#N)cc1OC(F)F 1642259002 QAVVHNWMHPYHNG-BBRMVZONSA-N 322.399 4.560 30 20 DJED CCC[C@@H]1CCCN1Cc1ccc(-c2ccccc2C#N)cc1 1648535179 HRWGUNDBOMBMBP-HXUWFJFHSA-N 304.437 4.990 30 20 DJED N#CC1(CN(C2CC2)[C@@H]2CCCC[C@@H]2C2CCCCC2)CC1 1652620198 LVFGBNDVASLRMK-RTBURBONSA-N 300.490 4.894 30 20 DJED C[C@H]1[C@H](c2ccccc2)CCN1Cc1ccccc1C(C)(C)C#N 1653528713 FPBVXMAZNBMLPI-FXAWDEMLSA-N 318.464 4.866 30 20 DJED CSc1ccc(Oc2c(Br)cccc2C#N)cc1 1654870337 VWPZCIZVZNQYCR-UHFFFAOYSA-N 320.211 4.835 30 20 DJED C[C@@H]1C/C(=C\c2ccc(/C=C\C(=O)O)cc2)C(=O)c2sccc21 1776589527 IUCJIRYNWHUQRY-HDRWXJQSSA-N 324.401 4.619 30 20 DJED C=CCNc1nnc(S[C@@H](C)c2ccccc2Cl)s1 5785829 QBCUJJLYBCTSOP-VIFPVBQESA-N 311.863 4.643 30 20 DJED CC(C)(C)c1ccc(/C=C/C(=O)c2ccc(OCC#N)cc2)cc1 8321708 GNUZRXHBOHFWMM-AWNIVKPZSA-N 319.404 4.783 30 20 DJED COc1cc(Cl)c(C)cc1N[C@@H](C)c1ccc(C#N)cc1 21502468 RNGWDGDIOZDOMQ-LBPRGKRZSA-N 300.789 4.702 30 20 DJED CCCCC1CCC(C(=O)Nc2cc(C#N)ccc2OC)CC1 64456797 LCAPNLSCFQDKRL-UHFFFAOYSA-N 314.429 4.502 30 20 DJED C[C@@H](c1nc2ccccc2s1)N(C)CCCC(C)(C)C#N 174811272 RDYZFYYQTIPIEX-ZDUSSCGKSA-N 301.459 4.619 30 20 DJED CC[C@H](C)[C@@H](C)C(=O)Nc1ccccc1S[C@H](C)CC#N 248579034 PSHOQEQLADRQOY-BFHYXJOUSA-N 304.459 4.702 30 20 DJED C[C@@H](NCCCCC(C)(C)C#N)c1nc(C(F)(F)F)cs1 279005267 UIBJRMGPYRZNFF-SNVBAGLBSA-N 319.396 4.533 30 20 DJED CC(C)Oc1ccc2ccccc2c1CNc1ncccc1C#N 302221147 SCFYYQGGTXLIKC-UHFFFAOYSA-N 317.392 4.506 30 20 DJED N#Cc1cccc(C#N)c1Nc1ccc(CCC(F)(F)F)cc1 302909634 YOZBEOGEPCNFRG-UHFFFAOYSA-N 315.298 4.668 30 20 DJED CC[C@@H](C)CSc1cc(Br)c(C#N)cc1F 309233378 HYZFHBYLZWVNDA-MRVPVSSYSA-N 302.212 4.598 30 20 DJED Cc1nc(Sc2nc3ccccc3s2)c(Cl)cc1C#N 312509207 GLDZCKSJMRJUGP-UHFFFAOYSA-N 317.826 4.676 30 20 DJED C[C@H]1CCC[C@H](C(O)=Nc2csc(-c3ccncc3)n2)C1 329810722 MNSWFIQENDQJRX-AAEUAGOBSA-N 301.415 4.619 30 20 DJED CCC1(CC)CCC(/N=C(/O)c2cc(O)nc(C3CC3)c2)CC1 330030255 RHODVWITQIEGPA-UHFFFAOYSA-N 316.445 4.718 30 20 DJED CCO[C@@H](C)c1ncc(/C(O)=N/C2(C)CCC(C)CC2)s1 330901307 BAXUHTXDXNOIQA-BGMSHATGSA-N 310.463 4.514 30 20 DJED Cc1cc(CNCC(C)(C)CCC#N)ccc1Oc1cccnc1 342306154 QWXJYMUIBMKDCK-UHFFFAOYSA-N 323.440 4.602 30 20 DJED N#CCCCn1cc(-c2nc(C3CCCC3)no2)c2ccccc21 345921329 KPTUGBFATVNRAN-UHFFFAOYSA-N 320.396 4.653 30 20 DJED C[C@@H](NC1CCC(C)(C#N)CC1)c1cc2cccc(F)c2o1 449280733 YHZLWSSFBSUZRC-LVIIFESRSA-N 300.377 4.695 30 20 DJED C=C(C)[C@@H](NC(=O)Nc1ccccc1F)c1ccc(F)c(F)c1 479703498 JFICTODUOGGMFJ-MRXNPFEDSA-N 320.314 4.543 30 20 DJED C[C@@H]1CCC[C@@H](CC(=O)Nc2sc3c(c2C#N)CCCC3)C1 504354986 GIPOMHXOOBSLAO-CHWSQXEVSA-N 316.470 4.653 30 20 DJED CCCc1ccc(C(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)cc1 516779984 BJLKFRHBJIIQBR-MRXNPFEDSA-N 320.436 4.734 30 20 DJED C=CCCCCCN(C)C(=O)c1ccc(Cl)c2cccnc12 523510800 BMJYYNPGBIGBKD-UHFFFAOYSA-N 316.832 4.707 30 20 DJED C[C@@H]1C[C@H]1[C@H](NCc1cccc(C#N)c1)c1ccc(Cl)cc1 525695761 SJFGIMVFSJTCEK-UPRAQXHNSA-N 310.828 4.699 30 20 DJED CC(C)(C)C[C@H](NCc1ccc(C#N)cc1F)c1ccccc1 533448926 WQVLTTDIJIGWFV-IBGZPJMESA-N 310.416 4.964 30 20 DJED N#CCCCCSCCCc1ccccc1Br 542225092 AMDFPMGZZAJGMW-UHFFFAOYSA-N 312.276 4.809 30 20 DJED C[C@@H](C#N)CNCc1ccc(-c2cccc(Cl)c2Cl)o1 544600552 ZGJKXOGCHZDLCS-JTQLQIEISA-N 309.196 4.503 30 20 DJED C=CC[C@@H](C(=O)NC[C@@H]1CCCCC(F)(F)C1)c1ccccc1 557322347 LRIGHSVBBKBORH-NVXWUHKLSA-N 321.411 4.678 30 20 DJED N#Cc1ccc(SCCCOc2ccc3ccccc3c2)nc1 609008687 UNSGQUBAJYTMEH-UHFFFAOYSA-N 320.417 4.668 30 20 DJED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)s1 618807287 UAKVLSRIPGFNAV-IINYFYTJSA-N 302.830 4.611 30 20 DJED CCOc1cccc(/C=C\C(=O)c2nc3ccccc3s2)c1 726427499 MWMJBLXBLCQMRC-KHPPLWFESA-N 309.390 4.591 30 20 DJED CCCC[C@@H]1CCCC1=NNc1oc(C(C)(C)C)nc1C#N 727257064 DBVKBZKFOBEUPC-GFCCVEGCSA-N 302.422 4.602 30 20 DJED CC(=NNc1ccc(Br)cc1C)c1ccsc1 728433058 POIYWEKHRCPLJW-UHFFFAOYSA-N 309.232 4.655 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C/c1cc(Br)cs1)C2 730949046 QFNWTWPUOPLQON-IZZDOVSWSA-N 319.223 4.641 30 20 DJED CCc1ccc(/C=C\C(=O)c2ccc(SC)c(OC)c2)s1 731158546 DHPWGXUVGAFAQO-HJWRWDBZSA-N 318.463 4.937 30 20 DJED Cc1cc(F)ccc1-c1ccc(/C=C\C(=O)c2cccnc2)o1 734303703 XDXKTKAZYUHQQZ-YVMONPNESA-N 307.324 4.685 30 20 DJED C[C@H](/N=C/c1cccc(O)c1O)c1cccc(Cl)c1Cl 735415634 YBCQFHDMVMDLIA-ZBPACCJBSA-N 310.180 4.585 30 20 DJED CCC(Cc1ccccc1)=NNc1cccc(C(F)(F)F)n1 739421601 MHBDVFZKAXQEDX-UHFFFAOYSA-N 307.319 4.521 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc3ccccc3c2)cc1C#N 741840323 PDFNLKKQLZERLS-POHAHGRESA-N 313.356 4.616 30 20 DJED CC[C@H](C)c1ccc(C(=O)N(CCC#N)c2ccc(F)cc2)cc1 755341063 CPXAFTODRYGOHV-HNNXBMFYSA-N 324.399 4.900 30 20 DJED N#Cc1ccc(C2=CCN(C(=O)C3CCCCCCC3)CC2)cc1 767976160 NAVISKKKNWAOHP-UHFFFAOYSA-N 322.452 4.534 30 20 DJED CC1(C(=O)[C@H](C#N)c2ccc3ccccc3n2)CCCCCC1 781450643 VIBMOELAOVUYFW-MRXNPFEDSA-N 306.409 4.772 30 20 DJED O=C(/C=C\c1cccc(C(=O)O)c1Cl)c1ccc(Cl)cc1 787166895 GAVZMGJGLGXXKZ-TWGQIWQCSA-N 321.159 4.588 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2ccc(C3CCC3)cc2)cc1 790534332 ZUOXEYBCEXAHQJ-UHFFFAOYSA-N 318.420 4.823 30 20 DJED C=CCC[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccco1 796838670 KRCFHSIJCZYNBM-OAHLLOKOSA-N 320.776 4.638 30 20 DJED Cc1cc(C(=O)/C=C\c2csc(Br)c2)oc1C 799895788 DPYBQPVJKPTHFS-ARJAWSKDSA-N 311.200 4.617 30 20 DJED C=CCC(F)(F)C(=O)N1CCCCC[C@@H]1c1cccc(C)c1 815649482 RAHWXNDXQVHETR-MRXNPFEDSA-N 307.384 4.650 30 20 DJED C[C@H](C#N)Oc1ccc(CN[C@H](C)c2cccc(C3CC3)c2)cc1 824462628 HMOASDJZSPXCIN-HZPDHXFCSA-N 320.436 4.706 30 20 DJED O=C(/C=C\c1cccc(C(F)(F)F)c1)c1ccc2c(c1)CCO2 834875462 ZHDUOVLDZGGTPC-XQRVVYSFSA-N 318.294 4.536 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(C#N)cc2)c2ccccc12 915981781 YDQQQLSYRXWNCE-BENRWUELSA-N 313.356 4.616 30 20 DJED COc1cccc(NN=Cc2ccccc2-c2ccccc2)c1 917540938 HOAPFTJHSLMTNS-UHFFFAOYSA-N 302.377 4.808 30 20 DJED C[C@@H](OC(=O)c1ccc(C#N)cc1)c1ccc2ccccc2c1 918851426 DLAATNWVMYADAN-CQSZACIVSA-N 301.345 4.629 30 20 DJED Oc1c(Cl)cc(Cl)cc1C=Nc1ccc(F)cc1F 920942376 AQFBXABQKLVXML-UHFFFAOYSA-N 302.107 4.728 30 20 DJED CC(C)CN(C(=O)CC1CCCCCC1)c1ccc(C#N)cc1 1124901102 RUNVHRYYJKXPCN-UHFFFAOYSA-N 312.457 4.908 30 20 DJED CCCC[C@@H](CC)CC(=O)Nc1cc(C#N)c2ccccc2n1 1128831914 HUZXCIOPUTVNCE-CQSZACIVSA-N 309.413 4.651 30 20 DJED CCC(CC)CN(CCC#N)C(=O)CC1CCC(C)(C)CC1 1136679182 BVCNHOWNWVOSQZ-UHFFFAOYSA-N 306.494 4.771 30 20 DJED CC[C@@H](Cc1ccc(C(F)(F)F)cc1)NCC(C)(C)CC#N 1182261059 IOSKFYSBNVCLKQ-HNNXBMFYSA-N 312.379 4.556 30 20 DJED CC(F)(F)c1ccccc1NC(=O)c1ccc(C#N)c(Cl)c1 1273075138 SQXRTKJQCXPYLS-UHFFFAOYSA-N 320.726 4.576 30 20 DJED N#Cc1cccc(CN2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)c1 1307698825 QKTDPFIEYGAVMR-BDTNDASRSA-N 316.448 4.716 30 20 DJED CCN(Cc1coc2ccccc12)[C@H](C)c1ccc(C#N)cc1 1308617443 AGDGWSLMPAPNBR-OAHLLOKOSA-N 304.393 4.888 30 20 DJED N#CCC1(CSCc2cnc(-c3ccccc3)s2)CC1 1328037421 DAGHOSDISPMPRA-UHFFFAOYSA-N 300.452 4.737 30 20 DJED N#Cc1cc(C(=O)O[C@@H]2CC[C@H]3CCCC[C@H]3C2)ccc1Cl 1350148487 AZOTYNMXHZDZLK-DVOMOZLQSA-N 317.816 4.727 30 20 DJED CCC(C)(C)c1ccc(C(=O)N(C)Cc2cccc(C#N)c2)cc1 1352880638 RANUEOUKQUZNNM-UHFFFAOYSA-N 320.436 4.518 30 20 DJED N#Cc1ccc(NC(=O)C2(C3CCCCC3)CC2)c(Cl)c1 1435511136 IXUYPDFDTFAQTM-UHFFFAOYSA-N 302.805 4.511 30 20 DJED N#Cc1cccc(C#N)c1NC[C@H]1CCCC[C@@H]1c1ccccc1 1458381467 JVECAUPWRJZBFH-WOJBJXKFSA-N 315.420 4.816 30 20 DJED CN(Cc1cccc(SCc2ccccc2)c1)CC(C)(C)C#N 1460144282 NGXYTWFYJVYUAH-UHFFFAOYSA-N 324.493 4.960 30 20 DJED Cc1cc(CN2Cc3cccc(C)c3CC2(C)C)ccc1C#N 1462263909 HTQUHUFIHHCZQS-UHFFFAOYSA-N 304.437 4.512 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc2c(c1)CCCC2 1474185188 NKCRJAXTBBTNSZ-JOCHJYFZSA-N 316.448 4.604 30 20 DJED CC[C@H](C)C[C@@H](C)NC(=O)c1sc2ccc(C#N)cc2c1C 1523513096 YIOUODBLGKBRSB-NWDGAFQWSA-N 314.454 4.636 30 20 DJED N#Cc1cc(NC(=O)[C@H]2CCC[C@@H]2c2ccccc2)ccc1Cl 1523658429 MBJNZEVENJMEGZ-SJORKVTESA-N 324.811 4.734 30 20 DJED CCC[C@@H]1CCC[C@@H]1C(=O)N(c1ccc(C#N)cc1)C1CCC1 1533787758 QELMNNNRFGGBML-APWZRJJASA-N 310.441 4.660 30 20 DJED Cc1cccc(C2=CCN(Cc3ccc(CC#N)cc3)CC2)c1C 1648577226 YJHKEKBXHGLCQJ-UHFFFAOYSA-N 316.448 4.659 30 20 DJED Cc1ccc([C@@H]2[C@@H](C)CCCN2c2cc(C)c(C#N)cn2)cc1 1650798676 OGELWZPTALOZDK-YWZLYKJASA-N 305.425 4.548 30 20 DJED CC[C@H](C#N)Sc1nc(C)c(C)n1[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 1651748992 SIZNSUKPUGRGBI-SMLCLMEVSA-N 317.502 4.891 30 20 DJED N#Cc1cc(NCc2cccc(O)c2)ccc1Oc1ccccc1 1657502133 QFCREMXYGVLFPJ-UHFFFAOYSA-N 316.360 4.668 30 20 DJED CC(C)(NCc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 1659963113 YTOTZQZZYULYGM-UHFFFAOYSA-N 318.342 4.602 30 20 DJED C[C@H]1C(=NNc2ccc(-c3ccccc3)cc2)CC[C@@H]1CC(=O)O 1776059818 MJVRDYBVYQJNNK-RHSMWYFYSA-N 322.408 4.642 30 20 DJED C=CC[C@]1(C(=O)O)CCCN([C@@H](C)c2ccc3ccccc3c2)C1 1776154163 XCKIUNRYEQDKQH-KKSFZXQISA-N 323.436 4.644 30 20 DJED N#Cc1ccccc1CSc1nc2ccccc2n1C(F)F 71843801 FCFKHPABBNKRBX-UHFFFAOYSA-N 315.348 4.595 30 20 DJED C=CCC[C@@H](NC(=O)N1CCC[C@@H]1c1ccc[nH]1)c1ccccc1 131012303 CSKSJUCXIVEXMJ-IEBWSBKVSA-N 323.440 4.569 30 20 DJED Cc1cc([C@H](C)NCc2ccc(C#N)cc2Cl)c(C)s1 162661406 XBEQSIAVXPXLNY-NSHDSACASA-N 304.846 4.741 30 20 DJED C[C@H](CCC#N)Sc1nc(-c2ccco2)nc2ccccc12 188284145 LHUHGFPMDFWBJS-GFCCVEGCSA-N 309.394 4.674 30 20 DJED N#Cc1cccc(/C=C\C(=O)c2ccc3c4c(cccc24)CC3)c1 208314714 DPQWIJSYZUYGEJ-GHXNOFRVSA-N 309.368 4.706 30 20 DJED CCCCCCCC(=O)Nc1ccccc1OC(F)(F)F 248259586 LZTSIVCZCNPLOY-UHFFFAOYSA-N 303.324 4.884 30 20 DJED C=CCn1c(S[C@H](C)c2ccccc2)nnc1-c1ccccc1 255927230 KMWVDIMJSFTFMQ-OAHLLOKOSA-N 321.449 4.984 30 20 DJED C=C(C)[C@H](N[C@H](C)c1cnccc1C)c1ccc(F)c(F)c1 274724258 AEAJNWAVNNETPX-ACJLOTCBSA-N 302.368 4.636 30 20 DJED Cc1nc(C(C)C)oc1/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 330281162 UGJPMBMCUFPKBU-RRFJBIMHSA-N 304.434 4.770 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCCc2ccccc21 341756621 GAAPRJNFTWVSJG-SFTDATJTSA-N 302.421 4.603 30 20 DJED C=C(C)C(C)(C)C(=O)Nc1cccc(COCc2ccco2)c1 424595084 FIRHLMVEYHNRSG-UHFFFAOYSA-N 313.397 4.537 30 20 DJED C=CCOc1cccc(NC(=O)c2ccc(C(C)(F)F)cc2)c1 428197258 VOBGIJOQCXXBAA-UHFFFAOYSA-N 317.335 4.615 30 20 DJED C=CCC[C@H](NC(=O)N(C)[C@H](C)C1(C)CC1)c1ccccc1 435765088 UPVFKTRXNMDTGR-WBVHZDCISA-N 300.446 4.524 30 20 DJED C=CCC[C@@H](N[C@@H]1CCO[C@@H](c2cccs2)C1)c1ccco1 453444278 ZDFKTEZALNXJOH-BFYDXBDKSA-N 317.454 4.858 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1cccc(-c2csc(C)n2)c1 467857698 ATKPSAYSRPNXMW-QGZVFWFLSA-N 300.427 4.659 30 20 DJED CN(c1ccccc1NCc1cc(C#N)ccc1F)C1CCCC1 474418435 YNSUSVZQLMCBOM-UHFFFAOYSA-N 323.415 4.688 30 20 DJED CC(C)(C)c1cnc(SCc2ccc(Cl)cc2C#N)o1 479135332 UEOBKAJOQQKEDR-UHFFFAOYSA-N 306.818 4.789 30 20 DJED CC(=O)c1ccc2cc(OCc3ccc(C#N)cc3F)ccc2c1 482723582 PEYDEIVDNHULSI-UHFFFAOYSA-N 319.335 4.632 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc2c(c1)C(=O)CCC2)c1ccccc1 489692578 UMGONNRBMPKZBC-GOSISDBHSA-N 319.404 4.504 30 20 DJED N#CCCCOc1cccc(N[C@@H]2CCC[C@@H]2CCCF)c1 510737621 SGBYLBWUQWCAOU-CRAIPNDOSA-N 304.409 4.699 30 20 DJED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C)CC1CCCCC1 510773825 VUHOTGPCKXADOE-QGZVFWFLSA-N 324.468 4.679 30 20 DJED C=C(C)CSCc1csc(COc2ccc(F)cc2)n1 531350277 ATVCKQYLHSNSEO-UHFFFAOYSA-N 309.431 4.671 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cc2ccccc2o1 532623519 IKHZNJRDQWSQER-WOJBJXKFSA-N 316.404 4.705 30 20 DJED CC(C)(C)C[C@@H](NCc1cc(C#N)ccc1F)c1ccccc1 539278644 UMSZPZLJLJOHBR-LJQANCHMSA-N 310.416 4.964 30 20 DJED Cc1ccccc1[C@@H](NCc1cccc(C#N)c1F)C(C)(C)C 540459284 VCGMWJAOZHUGRH-LJQANCHMSA-N 310.416 4.883 30 20 DJED CCc1ccc([C@@H](NCc2ccc(CC#N)cc2)C(C)C)cc1 542281938 JJXWHGYAGBEFKV-NRFANRHFSA-N 306.453 4.802 30 20 DJED C[C@@H](Nc1ncccc1F)c1ccc(-c2cccc(C#N)c2)cc1 543896013 LHZMEGJHYVICBM-CQSZACIVSA-N 317.367 4.932 30 20 DJED C=CCC(C)(C)c1noc(-c2ncccc2Oc2ccccc2)n1 563612278 NJBKPABBGAZRDK-UHFFFAOYSA-N 321.380 4.778 30 20 DJED C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)CCCCCC#N 588381302 RNXRTAVPHASYPW-KRWDZBQOSA-N 312.457 4.850 30 20 DJED C=CC[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2)cc1C 604907274 VMGXDPONYVYYEE-HNNXBMFYSA-N 310.397 4.873 30 20 DJED Cc1cc(C)cc(NC(=O)CS[C@H](C)c2ccc(C#N)cc2)c1 609825882 YXUWTYWEZPXKJQ-OAHLLOKOSA-N 324.449 4.608 30 20 DJED Cc1ccc(-c2csc3ncnc(NCC(C)(C)C#N)c23)cc1 611618109 QVGANHZVZYBDKA-UHFFFAOYSA-N 322.437 4.628 30 20 DJED CCCN(CCCCC(C)(C)C#N)Cc1ccc(OC)cc1 618276741 QDMZMCOFAOXQRG-UHFFFAOYSA-N 302.462 4.627 30 20 DJED CC(C)(C#N)CC(=O)Nc1cccc(Sc2ccccc2)c1 618652646 HPVDZPXYZDUQNW-UHFFFAOYSA-N 310.422 4.716 30 20 DJED CCCCCC[C@H](C)CC(=O)N[C@@H](C)c1ccc(C#N)cc1 727663979 MDGMIXVJEIUKSA-HOTGVXAUSA-N 300.446 4.732 30 20 DJED C=CCOC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1 730399077 RWHKAULYOVGTMA-MRXNPFEDSA-N 320.360 4.527 30 20 DJED CCCCCCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 731196058 VXGSUDZJTVJYMM-ZDUSSCGKSA-N 313.228 4.645 30 20 DJED Cc1cc(/C=C/C(=O)c2ccc(O)cc2)c(OC(F)F)cc1C 742429268 JVBJSBCEWOGDNE-VMPITWQZSA-N 318.319 4.507 30 20 DJED Cc1c(C(=O)OCC2(CC#N)CC2)oc2c1ccc1ccccc12 744275804 ZXGHSOOQNYIXIH-UHFFFAOYSA-N 319.360 4.745 30 20 DJED COc1cc(C(C)=NNc2ccccc2Cl)ccc1SC 747601966 GTWFDJPFTFACNV-UHFFFAOYSA-N 320.845 4.907 30 20 DJED O=C1/C(=C/c2cccc(-c3ccccn3)c2)Cc2cc(F)ccc21 747694164 SZJUDEFIBWQIBU-GZTJUZNOSA-N 315.347 4.710 30 20 DJED CC1(C)/C(=C/C=C\c2ccccc2[N+](=O)[O-])C(=O)c2ccccc21 750912473 GBLDDCXYVKMXIH-RZYRPPGSSA-N 319.360 4.709 30 20 DJED CC(C)c1cccc2c1OC/C(=C/c1ccc(Cl)nc1)C2=O 753900584 OAEAYGWUHJOULC-JYRVWZFOSA-N 313.784 4.517 30 20 DJED CC(C)Oc1cccc(C=NOc2ccccc2C(F)(F)F)c1 754708686 BGSNNLSYYJMTJW-UHFFFAOYSA-N 323.314 4.906 30 20 DJED C[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1ccc(C#N)cc1 756454286 BVSNXTDXYRXCMR-GJZGRUSLSA-N 320.436 4.554 30 20 DJED C#CCCCCC(=O)Nc1cccc(COC(C)(C)CC)c1C 773307950 HZLCGCXKEUBBNV-UHFFFAOYSA-N 315.457 4.832 30 20 DJED CC[C@H](NCc1cccc(OC(C)C)c1)c1ccc(C#N)cc1 774130957 NEEGMOZXCSVNSA-FQEVSTJZSA-N 308.425 4.586 30 20 DJED Cc1c(C(=O)/C=C/C=C\c2ccc(F)cc2)cnn1C(C)(C)C 787185801 BKBWEBLWUKWPJD-CGXWXWIYSA-N 312.388 4.538 30 20 DJED COc1ccc2nc(/C=C\C(=O)c3ccc(C)s3)sc2c1 788734074 VVDDLERJXSEWQZ-VURMDHGXSA-N 315.419 4.571 30 20 DJED N#C[C@@H]1CC[C@H](Nc2ccc(OC3CCCC3)c(Cl)c2)C1 799721581 MQENVZSVZSMYPR-OLZOCXBDSA-N 304.821 4.766 30 20 DJED CCCCCCCCC(=O)Nc1ccc2oc(CO)cc2c1 816760090 CFOVFNGGSOXGDF-UHFFFAOYSA-N 303.402 4.614 30 20 DJED Cc1ccc(C)c(C(=O)/C=C\c2csc(-c3ccccn3)n2)c1 915985339 SWDSRIGNCIUYIL-HJWRWDBZSA-N 320.417 4.718 30 20 DJED Cc1ccccc1C(=O)/C=C/c1ccccc1Br 916155364 AGEYSXOPTPQITG-ZHACJKMWSA-N 301.183 4.654 30 20 DJED CC(=NN[C@@H](C)c1ccccc1)c1ccc2ccccc2c1O 920386081 PPLNPHSHDHGLFG-AWEZNQCLSA-N 304.393 4.620 30 20 DJED CSc1ccccc1[C@@H](C)NC1(c2cccc(C#N)c2)CC1 1117075220 KZKPBXFHROSAGF-CQSZACIVSA-N 308.450 4.620 30 20 DJED N#Cc1ccc(Br)c(OCc2ccc(Cl)cc2)c1 1189901223 CICQGZUDYBQKAS-UHFFFAOYSA-N 322.589 4.553 30 20 DJED CC[C@H](Cc1ccccc1C)c1nnc(-c2cccc(C#N)c2)o1 1346662254 LHDMZXAHWOVGFC-MRXNPFEDSA-N 317.392 4.653 30 20 DJED N#Cc1cccc(-c2nnc([C@@H]3CC[C@H]4CCCC[C@@H]4C3)o2)c1 1348898640 DCHUBTVDPSRTNO-BFYDXBDKSA-N 307.397 4.682 30 20 DJED C[C@H]1Cc2c(sc(NC(=O)c3ccsc3)c2C#N)[C@H](C)C1 1436485182 UHHLBMVDVZGUAS-NXEZZACHSA-N 316.451 4.619 30 20 DJED CCC[C@H](CC)SCc1c(C#N)c(C)nn1-c1ccccc1 1459059071 CNVGQHQVTRZFPM-INIZCTEOSA-N 313.470 4.864 30 20 DJED C[C@@H](SCC1(C)CCCCC1)C(=O)Nc1cccc(C#N)c1 1459087635 WNLIIZAZMPXBMA-CQSZACIVSA-N 316.470 4.589 30 20 DJED CC[C@@H]1CCC[C@H]1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1523648291 DDTXXMPIHCZXGX-YNEHKIRRSA-N 316.470 4.509 30 20 DJED CC(C)(C)C1CCC(OC(=O)c2ccc(Cl)c(C#N)c2)CC1 1523710312 JDRLEPAVPUVFTI-UHFFFAOYSA-N 319.832 4.973 30 20 DJED C[C@H](C(=O)Nc1ccc(Cl)cc1C#N)c1cccc(Cl)c1 1532393263 ZXCRSNRTDVMAKH-JTQLQIEISA-N 319.191 4.607 30 20 DJED Cc1ccc(C(=O)N(c2ccccc2)C2CCCCC2)cc1C#N 1534783725 RQZOBEJDZBVFBK-UHFFFAOYSA-N 318.420 4.846 30 20 DJED Cc1cc(S[C@H](C)C(=O)c2ccc3c(c2)CCC3)ccc1C#N 1559429513 UPJONKHSMYQTJO-CQSZACIVSA-N 321.445 4.719 30 20 DJED CCCN(CC[C@H]1CCc2ccccc21)Cc1ccc(C#N)cc1 1559484334 PSISQXOOKXKSOU-OAQYLSRUSA-N 318.464 4.890 30 20 DJED C[C@@H]1CCC(C)(C)N1C(=O)Nc1scc(C(C)(C)C)c1C#N 1562850830 CNRXUJAHYIOYLM-LLVKDONJSA-N 319.474 4.712 30 20 DJED C[C@H]1C[C@H]1c1ccc(CN(Cc2ccc(C#N)c(F)c2)C2CC2)o1 1621210195 ITBUPJBGTGRCJY-SCLBCKFNSA-N 324.399 4.578 30 20 DJED Cc1cc(NC[C@H]2CC[C@H](C)C2)n2c(nc3ccccc32)c1C#N 1639868060 MDZRHLRXJQUCIL-ZFWWWQNUSA-N 318.424 4.516 30 20 DJED CCC[C@H](CC)S[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 1641106520 UDTNXCWOWNDHLB-RISCZKNCSA-N 324.877 4.851 30 20 DJED N#CC1(CCN2CC[C@H]2c2ccc(Cl)cc2)CCCCC1 1645608547 AOSCFEAKZFZGQI-KRWDZBQOSA-N 302.849 4.951 30 20 DJED N#Cc1c(F)cccc1NCC(F)(F)c1ccc(Cl)cc1 1651045124 KELDDGYEUMYXGI-UHFFFAOYSA-N 310.706 4.555 30 20 DJED Cc1ccc(Nc2c(Br)cccc2C#N)cc1F 1651300347 BKKHTDAKGNMAEW-UHFFFAOYSA-N 305.150 4.512 30 20 DJED COc1ccc(C#N)cc1CSc1cc(Cl)ccc1F 1651974224 QDDLSKHNFVISNH-UHFFFAOYSA-N 307.777 4.652 30 20 DJED Cc1ccc(C#N)c(N2C[C@@H](c3ccccc3)c3ccccc32)n1 1655430380 JAQZQAYPOGQOCA-IBGZPJMESA-N 311.388 4.545 30 20 DJED CC(C)[C@H](CN[C@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1 1658042650 HPYZPJYGUSUNPF-JLSDUUJJSA-N 304.865 4.752 30 20 DJED Cc1cc(C#N)cc(NC(=O)N2CCC(C)(C)CC(C)(C)C2)c1 1670905446 DSAVXNRWLWVUQB-UHFFFAOYSA-N 313.445 4.547 30 20 DJED COc1ccc(/C=C/C(=O)c2cc3cccc(OC)c3o2)cc1C 11331389 DYKVZGASNVGZCQ-VQHVLOKHSA-N 322.360 4.655 30 20 DJED N#Cc1ccc(CSc2ccccc2Br)cc1 37374996 WHWHGMFUVQVBKP-UHFFFAOYSA-N 304.212 4.613 30 20 DJED N#C[C@H](C(=O)C1CCCCC1)c1nc(-c2ccccc2)cs1 42654080 ZVJIIERHBDIHAX-OAHLLOKOSA-N 310.422 4.567 30 20 DJED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3)n2)cc1 46442737 ZBHUYWYZBSDPLL-MRXNPFEDSA-N 318.401 4.609 30 20 DJED CCn1nc(C)c(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1C 60370858 IBOZTQZKHNFCNM-OUKQBFOZSA-N 310.441 4.713 30 20 DJED C=CCOc1ccc(CNc2ccc3c(c2)COC3)cc1Cl 92855188 AGTRHIGGALDJBF-UHFFFAOYSA-N 315.800 4.547 30 20 DJED C[C@H](CC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1cccc(F)c1 115988684 FTDBHAQYRPLRIQ-CQSZACIVSA-N 324.399 4.759 30 20 DJED Cc1cc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc(C)c1F 155837270 YFJJVOPJIJZRPL-CYBMUJFWSA-N 316.401 4.513 30 20 DJED CCc1ccc(C(C)(C)NCc2ccc(O[C@H](C)C#N)cc2)cc1 177597829 GBQJXIXRZZGHMX-MRXNPFEDSA-N 322.452 4.565 30 20 DJED Cc1ccc(-c2nnc(SCc3ccc(C#N)cc3C)o2)cc1 186225314 JKFXSBJONFXJSN-UHFFFAOYSA-N 321.405 4.517 30 20 DJED COc1ccc(C)cc1[C@@H](C)Nc1cccc(OCCCC#N)c1 193906234 KVBGXESOBSABGJ-MRXNPFEDSA-N 324.424 4.859 30 20 DJED C=CCOc1cccc(CNc2cccc(OCCCC#N)c2)c1 194082707 NSVWCEVCOSKDDY-UHFFFAOYSA-N 322.408 4.546 30 20 DJED N#Cc1ccc(CN[C@@H](c2ccc(F)cc2)C2CCCC2)cc1 237916737 SETUYOSUYCQKLA-HXUWFJFHSA-N 308.400 4.718 30 20 DJED CC[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1cccc(Cl)c1 302569616 YIVLLPVWNWEPLK-OAHLLOKOSA-N 315.760 4.683 30 20 DJED C[C@H]1C[C@H](C)CC[C@@H]1/N=C(/O)c1ccc2c(c1)N=C(O)C2(C)C 328807281 CUXJOCQORXLCPH-XUJVJEKNSA-N 314.429 4.695 30 20 DJED Cc1nc(/C(O)=N/[C@H](c2ccc(F)cc2)C(C)(C)C)c(C)o1 331199386 PBKWEHOLUUYJGD-OAHLLOKOSA-N 304.365 4.523 30 20 DJED CC(C)N(CCCC1(C#N)CCOCC1)[C@@H](C)c1ccsc1 421008792 MIKGSAQJUOZEEE-INIZCTEOSA-N 320.502 4.620 30 20 DJED Cc1nc(-c2ccc([C@H](C)Nc3ccc(C#N)nc3)cc2)cs1 433769420 UKPUKEPERAQOQO-LBPRGKRZSA-N 320.421 4.558 30 20 DJED CC#CCCCC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 466867932 ZOMLDNRMWFGQQW-GOSISDBHSA-N 317.860 4.977 30 20 DJED C=C(C)CN(CC)C(=O)c1ccc2nc(-c3ccccc3)oc2c1 474790844 LMMIMNCMUYUVQS-UHFFFAOYSA-N 320.392 4.533 30 20 DJED CC(C)CC[C@H]1CCCN1C(=O)C[C@@H](CC#N)c1ccccc1 476372455 GMJGSPFAQSYQSZ-RTBURBONSA-N 312.457 4.501 30 20 DJED C=C(C)[C@@H](NCc1nc(C2CC2)cs1)c1ccc(F)c(F)c1 481610612 QRAGADQIICEENG-QGZVFWFLSA-N 320.408 4.706 30 20 DJED C=C(C)[C@H](CC(=O)N(c1ccsc1)C1CCCCC1)OCC 487246097 XIMXDPZKTZBBKU-KRWDZBQOSA-N 321.486 4.785 30 20 DJED N#Cc1ccc(Br)c(CNc2ccc(Cl)cc2)c1 492634004 WHURBUSDYXRMJA-UHFFFAOYSA-N 321.605 4.586 30 20 DJED CC(C)(C#N)CCCCN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 511895668 YEFVTTLVGDDJBY-VAMGGRTRSA-N 310.485 4.975 30 20 DJED CCN(C(=O)[C@H]1CC12CCCCC2)c1ccc(C#N)c(Cl)c1 536972629 HGFSQZOVTXMTKZ-OAHLLOKOSA-N 316.832 4.535 30 20 DJED CC(C)(C)[C@H](NCC1(C#N)CC1)c1cccc(C(F)(F)F)c1 540588592 AKTQWWDQYBWWRO-CQSZACIVSA-N 310.363 4.686 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N1CCC(CCC#N)CC1 566274980 NTQZLGMJHSOPCH-WMZOPIPTSA-N 324.468 4.518 30 20 DJED C=CCOc1ccc(CN[C@@H](C)c2cnc3ccsc3c2)cc1 581326353 WTQSFHNGYVZYJB-AWEZNQCLSA-N 324.449 4.712 30 20 DJED Cc1cscc1-c1noc(-c2ccc(C(C)(C)C#N)cc2)n1 589149375 SLAJAHIHUSWRSP-UHFFFAOYSA-N 309.394 4.575 30 20 DJED C=CCCC(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F 589367310 CTOOOASTSRXVLE-HNNXBMFYSA-N 311.347 4.725 30 20 DJED CSc1cccc(NC(=O)CC2(C#N)CCCCC2)c1C 597475445 LEMFWGWJWNPOSO-UHFFFAOYSA-N 302.443 4.520 30 20 DJED N#Cc1cc(F)c(NCC2(Sc3ccccc3)CC2)c(F)c1 609464190 IWHAFHIZLNAJAT-UHFFFAOYSA-N 316.376 4.573 30 20 DJED C[C@H](SCc1ccn(-c2ccccc2)n1)c1ccc(C#N)cc1 609825865 XTVHMYLYRUXNTQ-HNNXBMFYSA-N 319.433 4.738 30 20 DJED N#CCc1ccc(C(=O)N2Cc3ccccc3-c3ccccc32)cc1 611146099 REEVHHDUQSVDBY-UHFFFAOYSA-N 324.383 4.580 30 20 DJED Cc1cc(C)cc(C(=O)/C=C/C=C\c2ccccc2[N+](=O)[O-])c1 730436891 NGNZJISRDJNQIK-KHPAHMTISA-N 307.349 4.664 30 20 DJED CCOc1cccc(C(=O)/C=C\c2ccc(OC)c(Cl)c2)c1 741467495 MFGRIVAXOBZEHO-CLFYSBASSA-N 316.784 4.643 30 20 DJED Cc1cc(C)cc(-c2ccc(/C=C/C(=O)c3cnn(C)c3)cc2)c1 741468050 RNODFPFHNRXNFL-RMKNXTFCSA-N 316.404 4.600 30 20 DJED CCOc1ccccc1/C=C/C(=O)c1ccc(SC)c(F)c1 741847367 NSBVUDQXZDHDOW-CSKARUKUSA-N 316.397 4.842 30 20 DJED O=C(/C=C/c1cnn(-c2ccccc2)c1)c1ccc2ccccc2c1 747003601 JUKMXKSCGKUSQH-JLHYYAGUSA-N 324.383 4.922 30 20 DJED N#C[C@H](OC(=O)c1ccc(-c2ccc(Cl)cc2)s1)C1CC1 747785938 KNLGFNCSKHCRNC-ZDUSSCGKSA-N 317.797 4.527 30 20 DJED CC(=NNc1cccc2cnccc12)c1ccc2ccccc2n1 749816072 WMVZLQSIQZPPFK-UHFFFAOYSA-N 312.376 4.619 30 20 DJED O=C1/C(=C\c2coc(-c3ccccc3)n2)CCCc2ccccc21 749887013 SDMONEKZDVLHDW-LGMDPLHJSA-N 315.372 4.944 30 20 DJED O=C(/C=C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 750894579 AJUKZWFLDFLWLS-VKDZAETISA-N 319.769 4.762 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)C(F)=C1CCCC1 763044528 NNNHZYRGKVPGIN-GFCCVEGCSA-N 318.417 4.674 30 20 DJED CCCCCCC[S@](=O)Cc1ccc(C(F)(F)F)cc1 764438234 MBALUYUUWKCJHV-FQEVSTJZSA-N 306.393 4.925 30 20 DJED Cc1cc(NN=C[C@H](C)CCC#N)nc2ccc(Cl)cc12 766003267 VTCLYIBVBMGHSJ-LLVKDONJSA-N 300.793 4.534 30 20 DJED CC(C)(C#N)CCOC(=O)Cc1csc2ccc(Cl)cc12 776396069 OGZNRBFRPUTPBD-UHFFFAOYSA-N 321.829 4.580 30 20 DJED CC(CCc1ccc(O)cc1)=NNc1nc2ccccc2cc1C 776785623 KIHKSPUUFKWYFN-UHFFFAOYSA-N 319.408 4.669 30 20 DJED CC(C)(C)CCC(=NNc1cccc(Cl)n1)c1cscn1 793163744 MSUAQISHFBGKRX-UHFFFAOYSA-N 322.865 4.834 30 20 DJED Cc1ccc(C(=O)N(c2ccsc2)C2CCCCC2)cc1C#N 799374798 NQBMMUFKQFUACX-UHFFFAOYSA-N 324.449 4.908 30 20 DJED CC(C)C[C@H](Nc1nc(Cl)c(C#N)s1)c1ccccc1 804328231 DUHGBRNESDLOQV-LBPRGKRZSA-N 305.834 4.867 30 20 DJED C#CC[C@H](N[C@H](C)c1cc(Cl)cc(C)c1O)c1ccccc1 808709023 SOXDUZHHKQCGID-KDOFPFPSSA-N 313.828 4.769 30 20 DJED Cc1cc(/C=C/C(=O)c2c(F)cccc2Cl)cc(C)c1O 809158681 BYFLVXBVSNSIFB-VOTSOKGWSA-N 304.748 4.698 30 20 DJED N#CCC1(OC(=O)c2cc3c(Cl)cccc3s2)CCC1 810860711 BCXOXWAQNKLFFG-UHFFFAOYSA-N 305.786 4.548 30 20 DJED C[C@@H](C#N)Oc1ccc(CNc2cccc(C3CCC3)c2)cc1 812776588 WBIRGECJNUOGAL-HNNXBMFYSA-N 306.409 4.857 30 20 DJED Fc1ccc(NN=Cc2c(Cl)cccc2Cl)c(F)c1F 814945274 TVLCPGPDESRLST-UHFFFAOYSA-N 319.113 4.857 30 20 DJED CCc1cccc2c(/C=C\C(=O)c3ccc4c(c3)CCO4)c[nH]c12 834876001 WPAITJLKDOJJHT-VURMDHGXSA-N 317.388 4.561 30 20 DJED C[C@@H]1C[C@@H]1c1ccc(C=NNCc2ccc(C(F)(F)F)cc2)o1 915971922 GCOLQWTXSQHBAY-ABAIWWIYSA-N 322.330 4.546 30 20 DJED Cc1cc(C=NNc2ncc(Cl)cc2Cl)c(C)n1C1CC1 916316922 PMNGQDJZNIPLCQ-UHFFFAOYSA-N 323.227 4.588 30 20 DJED C=C[C@H](CC)CC(=O)Nc1ccccc1-c1csc(C)n1 935756828 SIHDGOBCNXULCV-CYBMUJFWSA-N 300.427 4.659 30 20 DJED CCCC[C@@H](C(=O)Nc1sc(C)c(CC)c1C#N)C(C)C 1125717975 SENTZFBYTGIHPO-CQSZACIVSA-N 306.475 4.892 30 20 DJED CCC(C)(C)C1CCC(CC(=O)N(C)CC(C)(C)C#N)CC1 1141372713 UNKUEBRANFEJCS-UHFFFAOYSA-N 306.494 4.627 30 20 DJED CC(C)(C)CCn1c(-c2ccc(Cl)s2)ccc(C#N)c1=O 1166414464 ZXTUWJIMZMBOPI-UHFFFAOYSA-N 320.845 4.538 30 20 DJED CC(C)CC(CC(C)C)Nc1nc(C(F)(F)F)ccc1C#N 1185281951 OMVUIVHSBJZOTG-UHFFFAOYSA-N 313.367 4.845 30 20 DJED CCC[C@H](CC)C(=O)Nc1ccccc1SC[C@H](C)C#N 1265068846 DGUIZDVGZCFGAT-KGLIPLIRSA-N 304.459 4.703 30 20 DJED C=C[C@H](OC(=O)c1oc(C2CC2)nc1C(F)F)c1ccccc1 1337610302 ANNYNAGEVMEGIE-LBPRGKRZSA-N 319.307 4.574 30 20 DJED Cc1cccc2c1N(C(=O)CC1(C#N)CCCCC1)CC[C@@H]2C 1436462504 NVRFAEKKLYCMLT-HNNXBMFYSA-N 310.441 4.699 30 20 DJED C[C@H](OC(=O)c1cccc2ccsc12)c1ccc(C#N)cc1 1457196660 YFVSNWOLHCSYPJ-LBPRGKRZSA-N 307.374 4.691 30 20 DJED Cc1ccc(C#N)c(N[C@@H]2C[C@H](C)C[C@@H](c3ccccc3)C2)n1 1458430093 DKYDKQOZXOHHSP-NIKGAXFTSA-N 305.425 4.646 30 20 DJED Cc1ccc(C#N)c(N[C@@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)n1 1458430098 DKYDKQOZXOHHSP-ZOCIIQOWSA-N 305.425 4.646 30 20 DJED COc1ccc(CN(C)CCC2(C#N)CCCCC2)cc1Cl 1460258718 NSGGCXVVBHHZIM-UHFFFAOYSA-N 320.864 4.645 30 20 DJED CC(C)CC1(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCC1 1523655246 DYNGSRPLJIHIKI-UHFFFAOYSA-N 324.346 4.732 30 20 DJED C[C@@H]1CCc2ccccc2[C@H]1NC1CC(C#N)(c2ccccc2)C1 1560707281 GXBQDPLXPAJKQR-RVQANVSUSA-N 316.448 4.524 30 20 DJED CC1(C)C[C@@H](c2ccccc2)N(c2snc(Cl)c2C#N)C1 1640063827 RKRLNLHQSPEVEG-ZDUSSCGKSA-N 317.845 4.646 30 20 DJED CC(C)CN(CCC1(C#N)CCCCC1)Cc1ccc(C#N)cc1 1644446202 XUQFVAHJHFTXDY-UHFFFAOYSA-N 323.484 4.880 30 20 DJED Cc1cc(C#N)ccc1CN[C@H](C)C1(c2ccccc2)CCCC1 1653322122 LAQDAWIFLYYWGI-GOSISDBHSA-N 318.464 4.857 30 20 DJED C=C(Cl)Cn1c(C2CCCC2)nnc1N(CC)C[C@H](C)CC 1705753519 BXPGOPKGEXNREL-CYBMUJFWSA-N 324.900 4.561 30 20 DJED O=C(O)c1cc(NN=CCC2CCCCCC2)ccc1Cl 1776033567 BJWFPXZBXLLCCW-UHFFFAOYSA-N 308.809 4.796 30 20 DJED C[C@H](/N=C(\O)C1(C#N)CCCC1)C12CC3CC(CC(C3)C1)C2 7334436 PZWFMCZAFZGXRS-IWUURBKTSA-N 300.446 4.632 30 20 DJED O=C(/C=C/c1ccc(Cl)s1)c1nc2ccccc2s1 14179665 DFLAHOQPVCTEON-FNORWQNLSA-N 305.811 4.907 30 20 DJED N#Cc1ccc(CN[C@H](Cc2ccccc2)c2ccccc2)cc1 15025058 WAEYLMNHYGUFHB-JOCHJYFZSA-N 312.416 4.632 30 20 DJED C[C@H](NCc1ccc(C#N)cc1)c1cc(F)c(Cl)cc1Cl 37488221 SEIVRRQAILHKID-JTQLQIEISA-N 323.198 4.855 30 20 DJED N#Cc1cc(Cl)ccc1NCc1cccc(C(F)(F)F)c1 52856757 DGOSWVYRXBZZBQ-UHFFFAOYSA-N 310.706 4.843 30 20 DJED COc1ccccc1/C=C/C(=O)c1cccc(C(F)(F)F)c1 57438017 MZRDDWYOMQFXFT-MDZDMXLPSA-N 306.283 4.610 30 20 DJED C#CCCCCNC(=O)Nc1cccc(CSC(C)C)c1C 154845799 SCIWSISTYFSCIP-UHFFFAOYSA-N 318.486 4.562 30 20 DJED C[C@@H](SCc1ccccc1C#N)c1nc(-c2ccccc2)no1 177622252 LYSNGKJPVRGQJT-CYBMUJFWSA-N 321.405 4.603 30 20 DJED CC(C)Sc1ccc([C@@H](C)NCc2cc(C#N)cs2)cc1 177696077 VZVLTEDMZUQLBU-CYBMUJFWSA-N 316.495 4.971 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1ccccc1SC(C)C 178404365 SMNIKKMJVOHZGP-UHFFFAOYSA-N 310.422 4.620 30 20 DJED O=C(/C=C/c1cccc(-c2cccnc2)c1)c1ccc(Cl)nc1 179410931 AKRQVKLLYUJTHZ-SOFGYWHQSA-N 320.779 4.693 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)c1ccccc1 182644024 LOXWXKLOVWKHLV-LSDHHAIUSA-N 324.449 4.823 30 20 DJED Cc1[nH]c2ccccc2c1C=NNc1nc2ccccc2s1 254871879 FSWWSQVVZRQJGZ-UHFFFAOYSA-N 306.394 4.532 30 20 DJED Cc1ccc(-c2nc(/C=C\c3ccc(C#N)cn3)cs2)cc1 255592277 GKKHHLQNCOIIPN-HJWRWDBZSA-N 303.390 4.556 30 20 DJED CC1CCC(c2noc(C[C@@H](CC#N)c3ccccc3)n2)CC1 346277744 QDMGNZNSEXLHBX-BDVYOWHSSA-N 309.413 4.603 30 20 DJED Cc1cc(Cl)c(NC(=O)[C@]2(C#N)CC23CCCC3)cc1Cl 410606911 KTTKADCZIAJBJH-MRXNPFEDSA-N 323.223 4.714 30 20 DJED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cc(F)cc(F)c1 417376896 CQGXEOWGNSIHNJ-HXPMCKFVSA-N 312.363 4.565 30 20 DJED C[C@@H](CCCC(F)(F)F)N[C@@H]1CCCc2cc(C#N)ccc21 426065067 XKFMNBUEFMTJMH-BLLLJJGKSA-N 310.363 4.646 30 20 DJED Cc1c(C#N)cccc1NC(=O)N[C@H](c1ccccc1)C1CCC1 432302361 MAUIJWIKJCJJMI-LJQANCHMSA-N 319.408 4.530 30 20 DJED C=C(C)CN(CC)C(=O)[C@@H](C)S[C@H](C)c1cccc(C)c1 437457775 BCSPJDNHVOWEFP-HZPDHXFCSA-N 305.487 4.602 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc2ccoc2c1 443373991 NVSFHEAEMCZWNL-UHFFFAOYSA-N 324.355 4.792 30 20 DJED CC[C@H](N[C@@H](c1ccc(OC)cc1)C1CC1)c1ccc(C#N)cc1 447539874 HZNDKEWQDAROOZ-LEWJYISDSA-N 320.436 4.759 30 20 DJED N#C[C@@H]1CCC[C@H](NC2(c3c(Cl)cccc3Cl)CC2)C1 447601437 QBUGMVHWEBDHNN-NEPJUHHUSA-N 309.240 4.654 30 20 DJED C=CCCCC(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1 480886621 YUKDVTHFDPYTLP-UHFFFAOYSA-N 316.788 4.822 30 20 DJED C=C[C@@H]1CCCCN1C(=O)c1cc(C2CC2)nc2ccc(C)cc12 488880287 NIKLWAWJMCXJSS-MRXNPFEDSA-N 320.436 4.601 30 20 DJED CCCC[C@@H](C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 503341989 DRUCVPZQENOOPS-UONOGXRCSA-N 304.459 4.703 30 20 DJED CCN(C(=O)c1ccc(F)c(C#N)c1)c1cccc2ccccc12 509851243 NUJNEQUUYHMESM-UHFFFAOYSA-N 318.351 4.517 30 20 DJED C=CCC[C@H](NCc1cc(C)ccc1OC(F)F)c1ccco1 513673795 XKMYJCNDFWYFDS-HNNXBMFYSA-N 321.367 4.987 30 20 DJED C[C@@H]1CCC[C@](C#N)(NC(=O)C2CCC(c3ccccc3)CC2)C1 525710659 KCWKMBVHXLGRQH-ZECJPWPQSA-N 324.468 4.549 30 20 DJED C=CCCC[C@H](C)NC(=O)c1cc(F)c(Cl)cc1Cl 539432760 FEQURIWTULQADC-VIFPVBQESA-N 304.192 4.607 30 20 DJED CC(/C=C\c1ccc(C#N)cn1)=C/c1ccccc1OC(F)F 564552934 SWSYLXYOFYUCNW-RXTIBHSBSA-N 312.319 4.671 30 20 DJED C[C@H](Nc1ccc(NC[C@H](C#N)CCC#N)cc1)c1ccccc1 566124439 HHOWOSPTWMOEBV-IRXDYDNUSA-N 318.424 4.715 30 20 DJED C=CCCCCCN(C)C(=O)Nc1nc(C(C)(C)C)cs1 568935715 JEVORQUIOJBSAB-UHFFFAOYSA-N 309.479 4.651 30 20 DJED Cc1ccc(-c2nc(CNCC(C)(C)CCC#N)cs2)cc1 571199853 JLFALFSTIPTQRC-UHFFFAOYSA-N 313.470 4.538 30 20 DJED C[C@@H](c1noc(C[C@@H](CC#N)c2ccccc2)n1)c1cccs1 581157415 JKVLBJOZTWFXKC-UKRRQHHQSA-N 323.421 4.523 30 20 DJED Cc1cccc(C2(C(=O)Nc3sc(C)c(C)c3C#N)CCC2)c1 602098499 WVZKEGXHCSDAEV-UHFFFAOYSA-N 324.449 4.605 30 20 DJED C=C(C)COc1cccc(NC(=S)N[C@H]2CCCC[C@H]2C)c1 727283991 ALHYYHPESOZPNV-PBHICJAKSA-N 318.486 4.507 30 20 DJED Cc1ccc(-c2ncc(/C=C/C(=O)c3cccc(O)c3)s2)cc1 734306140 LJPJZOKIHZURLO-MDZDMXLPSA-N 321.401 4.720 30 20 DJED C=CCOc1ccc(C(=O)N(c2ccc(C)cc2)C(C)C)cc1 751131866 LMLMCPUIZNQWAD-UHFFFAOYSA-N 309.409 4.615 30 20 DJED CC(C)(C)c1cnc(S[C@H](C#N)Cc2ccccc2)s1 759718918 QVLLPPDQKAYGJJ-ZDUSSCGKSA-N 302.468 4.668 30 20 DJED O=C(/C=C\c1ccc(C(F)(F)F)s1)c1ccc(Cl)nc1 761480189 PFPKXBPWWFHEKI-RQOWECAXSA-N 317.719 4.711 30 20 DJED CCC(CC)[C@H](C)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 762062708 NMZDGIYMJHRCRQ-GXFFZTMASA-N 318.417 4.684 30 20 DJED C=CC[C@H](N[C@@H](C)c1ccc(SC)c(F)c1)c1ccncc1 766017392 BBFRCLVKAMBWCA-GUYCJALGSA-N 316.445 4.911 30 20 DJED Cc1cccc2c1C/C(=C\c1cccc(-c3cccnc3)c1)C2=O 768491373 ZZCHUUNXRUPYTJ-XDHOZWIPSA-N 311.384 4.879 30 20 DJED C[C@@H](Nc1ccc(Br)cc1)c1ccc(C#N)c(F)c1 777541667 ZBCKZUKRKYQQMM-SNVBAGLBSA-N 319.177 4.633 30 20 DJED C=CCC[C@@H](CCC)Nc1ccc(OCc2nc(C)no2)cc1 777690987 XNIBUKHPTYVUMV-OAHLLOKOSA-N 315.417 4.504 30 20 DJED O=C(/C=C/c1ccc2cnccc2c1)c1nc2ccccc2s1 782311303 CAJBOSCFOYABMV-SOFGYWHQSA-N 316.385 4.741 30 20 DJED CCc1cccc(Cl)c1C=NNCc1cnc2ccccc2c1 788718702 WLCVVPXCTGDMLM-UHFFFAOYSA-N 323.827 4.574 30 20 DJED CCCCCCCCS(=O)(=O)[C@@H](C)c1ccc(F)cc1 790144341 ONKARTNQUGFOBX-AWEZNQCLSA-N 300.439 4.662 30 20 DJED Cc1cc(Oc2ccccc2)ccc1NC(=O)c1ccc(C#N)o1 794313005 FTTXYOQCMJEDFX-UHFFFAOYSA-N 318.332 4.504 30 20 DJED N#C[C@H]1CC[C@@H](Nc2ccc(N3CCCCCCC3)c(F)c2)C1 799723564 MISQTNCESAIUCE-JKSUJKDBSA-N 315.436 4.700 30 20 DJED Fc1cccc(Cl)c1NN=C1CCC[C@@H](c2cccnc2)C1 799885355 FPNQPNFXSAFRGT-GFCCVEGCSA-N 317.795 5.000 30 20 DJED Cc1cc(SC2CCCCC2)ccc1NCCO[C@@H](C)C#N 802742174 CMFJLKUNNQOTLE-HNNXBMFYSA-N 318.486 4.760 30 20 DJED C=CCCCCCCCCNC(=O)N1CCC[C@](C)(OC)CC1 807591211 BNLOBIMIGCPTFN-IBGZPJMESA-N 324.509 4.504 30 20 DJED CCCCCCCC(=O)N1CCCn2c(cc3ccccc32)C1 807888290 HAJARISHTVMBDB-UHFFFAOYSA-N 312.457 4.734 30 20 DJED C=CC[C@H](OC(=O)CCCC#N)c1ccc(Cl)c(Cl)c1 813096360 KEQPUKVZFOYAGD-AWEZNQCLSA-N 312.196 4.848 30 20 DJED CCOc1ccc(C=NOCc2cccc(C(F)(F)F)c2)cc1 852204208 BGKDZDYYQHWJEZ-UHFFFAOYSA-N 323.314 4.655 30 20 DJED C=CCOc1cccc(CN[C@@H](CC)c2ccccc2OC)c1 915228592 JXISVSFKHSSHJC-IBGZPJMESA-N 311.425 4.501 30 20 DJED CCCCn1nc(C)c(/C=C\C(=O)c2cccc(F)c2)c1Cl 916134628 UMMFUPYZQGAZEI-HJWRWDBZSA-N 320.795 4.680 30 20 DJED CC(C)c1ccc([C@H](C)NN=Cc2csc(C3CC3)n2)cc1 920373745 OGCQWVYABUNSIJ-ZDUSSCGKSA-N 313.470 4.829 30 20 DJED C[C@H](C#N)OCCN(C1CC1)[C@@H]1CCCC[C@@H]1C1CCCCC1 1167549643 PDPYCWGAZHZHNQ-NSISKUIASA-N 318.505 4.519 30 20 DJED N#CC[C@@H](C(=O)N1CCC[C@@H](C2CCCCC2)C1)c1ccccc1 1167884182 LSXJRUWKOBTTDS-WOJBJXKFSA-N 324.468 4.503 30 20 DJED N#Cc1ccc(C2CCN(C/C=C/c3cccc(F)c3)CC2)cc1 1184045089 JIUOJAAXLODXHD-DUXPYHPUSA-N 320.411 4.590 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1ccc(C(C)C)nc1C 1189567013 LBTCEHOZLBGZHE-UHFFFAOYSA-N 314.816 4.926 30 20 DJED CC(C)C[C@H](c1ccccc1)c1nnc(-c2ccc(C#N)cc2)o1 1349935252 VKOXVMIJFHUMAN-GOSISDBHSA-N 317.392 4.786 30 20 DJED CC[C@H]1CC[C@H](C(=O)Nc2cc3ccccc3cc2C#N)CC1 1436735538 YYIOYNQMUJCQMU-SHTZXODSSA-N 306.409 4.866 30 20 DJED Cc1ccc([C@H](C)N(C)c2ncc(Cl)c(C)c2C#N)c(C)c1 1458124904 YVWSYOQGKNHCCX-AWEZNQCLSA-N 313.832 4.729 30 20 DJED N#Cc1ccc(N[C@H]2CCC[C@H](c3cccc(Cl)c3)C2)nc1 1458428610 AWIRXVOBFFYLMU-RDJZCZTQSA-N 311.816 4.745 30 20 DJED CC(C)c1ccc(/C=C/CC(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1 1459843305 WTLFLJKQOWDGPO-XZXOBPBMSA-N 324.468 4.754 30 20 DJED CCC[C@@H](CC1CCCCC1)C(=O)Nc1ccc(C#N)c(C#N)c1 1523446007 FZQCJBYNZPYRKQ-INIZCTEOSA-N 323.440 4.755 30 20 DJED N#Cc1cc(NC(=O)c2ccsc2)ccc1Oc1ccccc1 1524143119 XSCSRCZYBKBZAG-UHFFFAOYSA-N 320.373 4.664 30 20 DJED C[C@@H]1CC[C@H](CC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 1526614172 YCDQWEBJAMSPPG-KGLIPLIRSA-N 314.429 4.500 30 20 DJED CC(C)Cc1ccccc1C(=O)Nc1ccc(Cl)c(C#N)c1 1531846479 CSENNTYXUTVFJD-UHFFFAOYSA-N 312.800 4.662 30 20 DJED Cc1cc(C)cc(C2=CCN(c3cccc(F)c3C#N)CC2)c1 1559142310 CROQUUFWBWHCMD-UHFFFAOYSA-N 306.384 4.608 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C[C@H]1CCc2ccccc21 1560690987 MKZUJPJAJGMKHY-HXUWFJFHSA-N 304.437 4.500 30 20 DJED N#Cc1ccc(CN(CCCc2ccc(Cl)cc2)C2CC2)cc1 1642388592 NFYLOXWCDULTHP-UHFFFAOYSA-N 324.855 4.809 30 20 DJED N#Cc1ccc(F)c(CNC2CCC3(CCCCC3)CC2)c1 1651560847 JTRKCHLDBSBLRZ-UHFFFAOYSA-N 300.421 4.680 30 20 DJED N#Cc1cccnc1Oc1cnc2c(Cl)c(Cl)ccc2c1 1655635340 IYDKNULWZBVLRJ-UHFFFAOYSA-N 316.147 4.601 30 20 DJED CCOc1ccc(C#N)cc1NCc1ccc(Cl)cc1Cl 1658087835 ZJSGCSWHKZTJRX-UHFFFAOYSA-N 321.207 4.876 30 20 DJED C=C(C)CN(C)CCCCCc1cc(-c2cccc(F)c2)no1 63763767 SQQYFDXZXVHHKD-UHFFFAOYSA-N 316.420 4.701 30 20 DJED N#C[C@H](C(=O)c1cccs1)c1nc2cc(Cl)ccc2s1 76606556 FFNJISNLOCCLRO-SECBINFHSA-N 318.810 4.501 30 20 DJED O=C(/C=C\c1cccnc1)c1ccc(-c2ccc(F)cc2)s1 96129761 UGLQDPWCSKPELX-BAQGIRSFSA-N 309.365 4.845 30 20 DJED CC(C)[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc(CC#N)cc1 112734334 NPRJCVYZEWZTHO-IBGZPJMESA-N 321.424 4.614 30 20 DJED CC(C)(C)c1ccc(-c2nnc(SCCCCC#N)o2)cc1 125559651 YMGOCCWLZJVOKC-UHFFFAOYSA-N 315.442 4.820 30 20 DJED CC(C)(C)[C@@H](NCc1ccc(C#N)s1)c1ccc(F)cc1 135688219 HXSDPONSVAGUHX-INIZCTEOSA-N 302.418 4.636 30 20 DJED N#Cc1csc(CNc2ccc(COC3CCCC3)cc2)c1 177704863 BKIDSZUPIUHQDE-UHFFFAOYSA-N 312.438 4.691 30 20 DJED O=C(/C=C\c1cnc(-c2cccs2)s1)c1ccsc1 255628269 SBMYZTRMYILEIU-ARJAWSKDSA-N 303.433 4.829 30 20 DJED CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1O 287863311 XMZZPNAUVOYACU-SJKOYZFVSA-N 314.816 4.719 30 20 DJED CC[C@H](C)n1ncc(N=C(O)N2[C@H]3CC[C@H]2c2ccccc23)c1C 330097267 AOYQNOFRHIBZGK-IGNZVWTISA-N 324.428 4.600 30 20 DJED CSc1ccc(CN[C@@H](CCC#N)c2ccccc2)s1 352797674 MSWBXYAOZGPJSY-HNNXBMFYSA-N 302.468 4.605 30 20 DJED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1ccc(F)cc1F 432853775 VVFWBQUIEZWGOQ-SFHVURJKSA-N 319.395 4.787 30 20 DJED CCCOc1ccc(C(F)(F)F)cc1N[C@H]1CC[C@H](C#N)C1 442875808 ULECNXNBZIFUHU-AAEUAGOBSA-N 312.335 4.598 30 20 DJED CCCOc1ccc(C(F)(F)F)cc1N[C@H]1CC[C@@H](C#N)C1 442875818 ULECNXNBZIFUHU-YPMHNXCESA-N 312.335 4.598 30 20 DJED C=CCC1(C(=O)Nc2ccc(N3CCCC3)cc2C)CCCC1 449119751 AMWHIZFUOWAESO-UHFFFAOYSA-N 312.457 4.670 30 20 DJED N#Cc1ccc(CN[C@@H](c2ccc(F)c(Cl)c2)C2CC2)s1 449454578 ZUQBIHPKXNDDMD-MRXNPFEDSA-N 320.820 4.653 30 20 DJED C[C@H](C(=O)N[C@@H](c1ccccc1)C(C)(C)C)c1cccc(C#N)c1 461930190 DENAWQJLADYUEB-KXBFYZLASA-N 320.436 4.565 30 20 DJED C=C[C@H](C)NC(=O)Nc1ccc(OCc2cccc(C)c2)cc1C 465254480 RSPZZPBXTZSANR-INIZCTEOSA-N 324.424 4.578 30 20 DJED C=CCC(CC=C)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 467743079 OZHGZPRSJRYEEN-UHFFFAOYSA-N 312.240 4.720 30 20 DJED CCCC1(CNC(=O)c2ccccc2-c2ccccc2C#N)CC1 470815103 HJZVCSAAMQHQTM-UHFFFAOYSA-N 318.420 4.535 30 20 DJED CC[C@@H](CN(CC)C(=O)Nc1ccc(C#N)cc1)c1ccccc1 479723399 TYQCKXICAASJBY-KRWDZBQOSA-N 321.424 4.606 30 20 DJED C[C@@H](NCCCCC#N)c1ccc2ccccc2c1OC(F)F 482438657 MWZGHACBUJZWCT-CYBMUJFWSA-N 318.367 4.786 30 20 DJED C[C@H](Sc1nc(C(F)(F)F)ccc1C#N)c1ccccc1 488765258 SSXYTUGUJHERTN-JTQLQIEISA-N 308.328 4.825 30 20 DJED C=C[C@H]1CCCCN1C(=O)CCCc1ccc2ccccc2c1 488820295 IGALDFQYHZGKQG-FQEVSTJZSA-N 307.437 4.730 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1cc(C(F)F)ccc1Cl 497395054 XMZGIFFWIHGKEH-JTQLQIEISA-N 302.752 4.754 30 20 DJED CC(C)CN(C(=O)c1ccc(Cl)s1)c1ccc(C#N)cc1 499315880 IBGAFYDBCLTQDU-UHFFFAOYSA-N 318.829 4.576 30 20 DJED CC(C)(C)c1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1 504529995 MVUKXEXISSFYKV-UHFFFAOYSA-N 312.800 4.761 30 20 DJED C=CCN(Cc1cccs1)C(=O)[C@@H](C)CC1CCCCC1 510141594 ZOQKXRIKAZWAPG-HNNXBMFYSA-N 305.487 4.869 30 20 DJED N#Cc1ccc2nc(N3CCC[C@H]3c3ccsc3)ccc2c1 538978545 QNWFXWNCNDAVNJ-KRWDZBQOSA-N 305.406 4.509 30 20 DJED CC(C)CCN(C(=O)c1ccc(C#N)c(Cl)c1)C1CCCC1 548611064 JMHCLVCPDQYPRI-UHFFFAOYSA-N 318.848 4.643 30 20 DJED C=CCC(C)(C)c1noc([C@H](C)Sc2ccc(OC)cc2)n1 551497871 HNWJJIHIFAJMNA-LBPRGKRZSA-N 318.442 4.785 30 20 DJED CC(C)(CCC#N)CNC(Cc1ccccc1)Cc1ccccc1 554365078 YZAQQSZFNLCWEV-UHFFFAOYSA-N 320.480 4.760 30 20 DJED Cc1ccc(CCCCC(=O)Nc2scc(C)c2C#N)cc1 579522244 NOILVJJGTMWJCN-UHFFFAOYSA-N 312.438 4.588 30 20 DJED CC(C)[C@H](C(=O)NCC(C)(C)CCC#N)c1cccc(Cl)c1 581904170 CSZALFYIYBRLHM-INIZCTEOSA-N 320.864 4.526 30 20 DJED C[C@@H](N[C@H](C)c1ccc(Cl)c(F)c1)c1cccc(C#N)c1 611248665 WURGNKBSMJQJOR-VXGBXAGGSA-N 302.780 4.763 30 20 DJED C=CCC[C@H](N[C@H](c1nc[nH]n1)C1CCCCC1)c1ccccc1 638785543 XDDYOJUCCXMRDB-OALUTQOASA-N 324.472 4.723 30 20 DJED C=CCCOc1ccccc1-c1ccc([C@H]2NC(=O)C2(C)C)cc1 665192483 PGQGTNVGBQBELC-LJQANCHMSA-N 321.420 4.506 30 20 DJED C=CCC[C@H](NC(=O)N1CCC[C@@H](C2CC2)C1)c1ccccc1 673559409 ZWRSOXLXQWDXSD-MOPGFXCFSA-N 312.457 4.526 30 20 DJED C=C(C)COc1cccc(NC(=O)N(CC)C(CC)CC)c1 685074942 WUBPSKRNFZQOPQ-UHFFFAOYSA-N 304.434 4.684 30 20 DJED CC(=NOCc1cc(-c2ccco2)on1)c1cc2ccccc2o1 727436631 LDZSTIJTRQTQSR-UHFFFAOYSA-N 322.320 4.622 30 20 DJED C[C@@H](C#N)CN(C)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 729037390 UGNUBHNBUWCLFB-AWEZNQCLSA-N 321.384 4.725 30 20 DJED CCOc1cc(C#N)cc(Cl)c1OC(=O)C[C@H](CC)C(C)C 729650133 OXDHHSIQIDNOFT-ZDUSSCGKSA-N 323.820 4.588 30 20 DJED Cc1cc(F)ccc1C(=O)/C=C/c1ccc(OC(F)F)cc1 731318203 HFJKYSCMEBPABF-RUDMXATFSA-N 306.283 4.632 30 20 DJED O=C(/C=C/c1cnc2ccccn12)c1ccc(Cl)cc1Cl 740764225 OZOGMGRKBNSJRV-FNORWQNLSA-N 317.175 4.537 30 20 DJED COc1cc(C=NNc2cccc(Cl)c2)ccc1SC 746484801 LLRDOAQLKHRBCN-UHFFFAOYSA-N 306.818 4.517 30 20 DJED C#CCCCCCC(=O)Nc1cnn(CCC(C)C)c1C(C)C 754756612 FDVZQXJFTIEFCR-UHFFFAOYSA-N 317.477 4.575 30 20 DJED CSc1ccc(C(=O)/C=C/c2cnc(Cl)c(C)c2)cc1 760261637 FLJCZPZAZXODJR-FPYGCLRLSA-N 303.814 4.661 30 20 DJED C[C@@H](CCc1cccc(F)c1)C(=O)OCCCCC(C)(C)C#N 768740710 ZPPNKANLTWLUJJ-HNNXBMFYSA-N 319.420 4.658 30 20 DJED C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1CCCCC(C)(C)C#N 769723961 HBEJDVXDHUUZFW-ZIFCJYIRSA-N 314.473 4.557 30 20 DJED CC[C@@H](Nc1ccc(OC)c2ncccc12)c1ccc(C#N)cc1 774327930 MZDRKHHGGDLUNF-QGZVFWFLSA-N 317.392 4.678 30 20 DJED Cc1c(C(=O)/C=C\c2cc3cc(F)ccc3o2)cnn1C(C)C 787187077 MWDLCMLEDLPVSP-WAYWQWQTSA-N 312.344 4.554 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2cc3ccccc3o2)c(Cl)c1 788359812 FTOGHSWAVXNLKZ-VURMDHGXSA-N 307.736 4.854 30 20 DJED Clc1cccc(Cl)c1CNN=Cc1ccccc1C1CC1 793117334 LDUMEKLLHQCKFW-UHFFFAOYSA-N 319.235 4.995 30 20 DJED C=CCCCCC[C@H](C)Nc1ccc2c(c1)CCC(=O)N2C 793546273 WSHGUUMRXHEUIR-HNNXBMFYSA-N 300.446 4.533 30 20 DJED FCC[C@H]1CCCC1=NNc1ccc(Br)cc1F 794905549 UQBUZRJDXRRBEL-SECBINFHSA-N 317.177 4.516 30 20 DJED C#C[C@H](CCC)NC(=O)Nc1c(C(C)C)cccc1C(C)C 806095542 LMJCHLBGOGUGMR-OAHLLOKOSA-N 300.446 4.857 30 20 DJED CC(C)(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1CC1 806450546 QFDQJMWPGOTHDL-IBGZPJMESA-N 318.420 4.717 30 20 DJED C=C(C)CCNc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 809188723 PGQIRUBIOKYIGO-AWEZNQCLSA-N 304.434 4.650 30 20 DJED CC(=NNc1ccccn1)c1ccc(-c2ccccc2F)s1 914771848 JJMYPFPPBJESNM-UHFFFAOYSA-N 311.385 4.785 30 20 DJED O=C(/C=C\c1cc([N+](=O)[O-])ccc1Cl)c1cccc(Cl)c1 916137544 HLGCDPPJJOAKOF-DAXSKMNVSA-N 322.147 4.798 30 20 DJED Cc1ccc(C(=O)/C=C/c2c[nH]nc2-c2ccc(C)cc2)cc1 920063005 PCGIVNSOVRXYFH-VAWYXSNFSA-N 302.377 4.590 30 20 DJED O=C1/C(=C\c2ccccc2C(F)(F)F)Cc2c(F)cccc21 921264555 WKIBGUMWVVNUBU-FLIBITNWSA-N 306.258 4.667 30 20 DJED CC(=NNc1ccc(C(C)(C)C)nn1)c1ccc2ccccc2c1 1116087072 CLQKYCRLTWBJNS-UHFFFAOYSA-N 318.424 4.763 30 20 DJED Cc1cc2cc(-c3nnc(-c4cccc(C#N)c4)o3)oc2cc1C 1117261295 OWKHELQNXUOTJW-UHFFFAOYSA-N 315.332 4.638 30 20 DJED Cc1ccc(C(=O)N[C@@H](c2ccccc2C)C(C)(C)C)cc1C#N 1126881222 HFMRHAVRUHVODF-IBGZPJMESA-N 320.436 4.692 30 20 DJED CCOc1ccccc1[C@H](CC(C)C)Nc1cc(C)c(C#N)cn1 1162711733 JWYLTTTVTMCTNS-SFHVURJKSA-N 323.440 4.860 30 20 DJED CO[C@@H](c1ccccc1Cl)[C@H](C)Nc1cccc(F)c1C#N 1162944106 ZNNVTHOBSVSXOR-APPDUMDISA-N 318.779 4.539 30 20 DJED N#CCc1cccc(NCc2csc(-c3cccs3)n2)c1 1202436425 RABICWYNLULQAS-UHFFFAOYSA-N 311.435 4.550 30 20 DJED C[C@H](CN(C)C(=O)CC1(C#N)CCCCC1)C1CCCCC1 1287659979 IOSGMYPDLKJNIM-MRXNPFEDSA-N 304.478 4.525 30 20 DJED CCCCc1ccc(NC(=O)[C@H](C#N)CCc2ccccc2)cc1 1290150540 SFEGYCNRPFURNP-IBGZPJMESA-N 320.436 4.740 30 20 DJED Cc1ccnc(N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)c1C#N 1307144072 VCDOARLHFPVFKB-HOCLYGCPSA-N 311.816 4.663 30 20 DJED C[C@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCCC2 1349781357 DUKOGWUTIUDDRH-STQMWFEESA-N 316.470 4.653 30 20 DJED N#Cc1ccc(CNC(=O)C2(C3CCCCC3)CCCCC2)cc1 1360630111 YJYRQIKSKNKCSC-UHFFFAOYSA-N 324.468 4.705 30 20 DJED Cc1ccc(-c2ccccc2NC(=O)c2ccc(C#N)s2)s1 1462137729 UCHKCVWMRVVMLI-UHFFFAOYSA-N 324.430 4.909 30 20 DJED Cc1cc(C#N)ccc1CN(C)[C@H]1CCC[C@H]1c1ccccc1 1473539539 QVIINCJDQSSIKZ-SFTDATJTSA-N 304.437 4.635 30 20 DJED CC(C)(C)C[C@H]1CCN(Cc2ccc(OCC#N)cc2)C1(C)C 1473542299 PYQBJBJVQAWSCT-QGZVFWFLSA-N 314.473 4.626 30 20 DJED CC[C@@H]1CCC[C@H]1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1523648287 DDTXXMPIHCZXGX-JHJVBQTASA-N 316.470 4.509 30 20 DJED N#CCc1cccc(NC(=O)c2ccc(C3CCCC3)cc2)c1 1525933880 MLDPDOSOHCVPPN-UHFFFAOYSA-N 304.393 4.663 30 20 DJED C[C@@H](CC(=O)N(C)c1ccc(C#N)c(Cl)c1)C1CCCCC1 1531509556 OWMKSYNJCJCOHX-ZDUSSCGKSA-N 318.848 4.781 30 20 DJED Cc1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)c(Cl)c1C 1534849925 JEKHSNMGMCNOBU-ZDUSSCGKSA-N 313.784 4.747 30 20 DJED CC(C)[C@@H](CC1CCCCC1)C(=O)Nc1cccc(CC#N)c1 1543579752 WBKYPOPJNFLRSA-LJQANCHMSA-N 312.457 4.934 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[C@H]1CCC 1543963453 XWGZDTZRZUDWLF-HZPDHXFCSA-N 313.445 4.535 30 20 DJED Cc1ccc(C)c(C(=O)Nc2cc3ccccc3cc2C#N)c1 1584892274 KFPUGDFPPWDQFB-UHFFFAOYSA-N 300.361 4.581 30 20 DJED CC1(CC(=O)N(c2cccc(C#N)c2)C2CCC2)CCCCC1 1586227735 ILEOKSBJNGXGRO-UHFFFAOYSA-N 310.441 4.804 30 20 DJED COc1ccc(C#N)cc1CN(Cc1cccc(C)c1)CC(C)C 1641598820 CGBYGOOMSLDUEB-UHFFFAOYSA-N 322.452 4.534 30 20 DJED C[C@@H](CC(C)(C)c1ccccc1)Nc1c(C#N)cccc1C#N 1650699968 KYBGIKMZRLJDHR-HNNXBMFYSA-N 303.409 4.598 30 20 DJED Cc1ccc(C#N)c(Nc2ccc3c(c2)C(C)(C)CC3(C)C)n1 1650930169 NXVFKVAQINJGQE-UHFFFAOYSA-N 305.425 4.964 30 20 DJED Cc1ccc(-n2ncc(N[C@@H]3CCC[C@@H](C#N)C3)c2C(C)C)cc1 1652190670 RDEIWORMBNCKJF-IAGOWNOFSA-N 322.456 4.798 30 20 DJED C[C@@H]1CCC[C@H](CCN2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 1653428123 TXPDLPSQLJQBTE-QCFAMHMHSA-N 310.485 4.975 30 20 DJED N#CC1(CCN2CCc3c(Cl)cc(F)cc3C2)CCCCC1 1653750728 IROBQZVYVHDTCK-UHFFFAOYSA-N 320.839 4.701 30 20 DJED C[C@@H](Cc1coc2ccccc12)N[C@@H](C)c1cccc(C#N)c1 1658897908 RLTPOIYGQRIFMM-GJZGRUSLSA-N 304.393 4.586 30 20 DJED O=C(/C=C/c1ccc(Br)cc1)c1ccc(F)cc1F 6337353 KXHLJUOVIHTWCB-FPYGCLRLSA-N 323.136 4.623 30 20 DJED CCC(CC)CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 151699053 IFPHYTDVBWTHIS-HNNXBMFYSA-N 312.438 4.813 30 20 DJED CCCCCCCC(=O)N[C@H](c1ccccc1)c1cccnc1 171222814 PYDORALEXXSVPR-HXUWFJFHSA-N 310.441 4.648 30 20 DJED N#CCSCCCSc1nc(-c2ccc(F)cc2)cs1 174000808 HIXXYFZZOCVVPM-UHFFFAOYSA-N 324.471 4.688 30 20 DJED CC[C@H](C)[C@H](C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 180344563 PSHOQEQLADRQOY-IHRRRGAJSA-N 304.459 4.702 30 20 DJED CCCOc1ccccc1N[C@@H](C)c1ccc(OCC#N)cc1 192979411 WZQSGPXSEYLRAL-HNNXBMFYSA-N 310.397 4.551 30 20 DJED CCCOc1cc(C)ccc1N[C@@H](C)c1ccc(OCC#N)cc1 193908341 JXAKBCCWUGEYAF-INIZCTEOSA-N 324.424 4.859 30 20 DJED N#Cc1cccc(C#N)c1N[C@H](c1ccc(Cl)cc1)C1CC1 302827522 HYQWIPCTYXUGJZ-KRWDZBQOSA-N 307.784 4.647 30 20 DJED C[C@H](Sc1ccc(Br)cn1)c1ccc(C#N)cc1 303652368 BKXFTZZWVUXXEO-JTQLQIEISA-N 319.227 4.569 30 20 DJED C[C@@H]1CC[C@H](/N=C(/O)Nc2ccccc2S[C@H](C)CC#N)C1 331279130 APIUFFXJQWYTHX-MCIONIFRSA-N 317.458 4.595 30 20 DJED Cc1cscc1C(=O)Nc1scc(C(C)(C)C)c1C#N 410932373 XULJYMMYJRXEHV-UHFFFAOYSA-N 304.440 4.540 30 20 DJED CC[C@@H](N[C@H](CC(F)F)c1ccccc1)c1ccc(C#N)cc1 421879659 PJLSVPADDFJOBB-QZTJIDSGSA-N 314.379 4.995 30 20 DJED C=CCC1(C(=O)Nc2ccc(-c3cnc(C)o3)cc2)CCCC1 449358701 FYWWEGAABHOQNY-UHFFFAOYSA-N 310.397 4.725 30 20 DJED C=CCOc1ccc(OCc2coc(-c3cccs3)n2)cc1 462673818 GJVVTJVOXDPNDS-UHFFFAOYSA-N 313.378 4.547 30 20 DJED Cc1ccc(-c2cnc(CSc3ccc(C#N)cc3F)o2)cc1 463203181 CVIXIQWZEOJFJH-UHFFFAOYSA-N 324.380 4.953 30 20 DJED C=C[C@H](C)NC(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 464749676 DZEBABFRFQBQLZ-GJZGRUSLSA-N 314.454 4.595 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1cccc(COC(C)(C)C)c1C 467988857 AIKCSSDILFCMHB-IBGZPJMESA-N 303.446 4.851 30 20 DJED C=CCCC[C@H](C)N[C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 474878917 AWNKPEZVRGYNRN-ARFHVFGLSA-N 305.462 4.530 30 20 DJED C=CCCC[C@@H](C)NC(=O)Nc1c(C)noc1-c1ccccc1 481455658 WOZUMTVIDQBYBP-CYBMUJFWSA-N 313.401 4.516 30 20 DJED CCOc1ccccc1[C@H](CC)Nc1ncc(C#N)cc1Cl 513610422 WCPAFXIRAYPKHP-HNNXBMFYSA-N 315.804 4.569 30 20 DJED CCN(C(=O)[C@@H]1CC12CCCCC2)c1ccc(C#N)c(Cl)c1 536972628 HGFSQZOVTXMTKZ-HNNXBMFYSA-N 316.832 4.535 30 20 DJED CC(C)(CCC#N)CNc1cc(F)ccc1SCC(F)F 539932052 SCOMZTBCUJMKSM-UHFFFAOYSA-N 316.392 4.925 30 20 DJED C=CCCOc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 565789143 ZACHVXOSTZEAQC-UHFFFAOYSA-N 315.800 4.572 30 20 DJED C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(F)c2ccccc12 573878427 FAHHWNMYXMLERI-CYBMUJFWSA-N 322.358 4.840 30 20 DJED CCCCCc1ccc(NC(=O)NCC(C)(C)CCC#N)cc1 579749364 SUBFJIMZUPNUPS-UHFFFAOYSA-N 315.461 4.871 30 20 DJED C[C@@H](CC#N)NC(=O)Nc1ccc(N=Nc2ccccc2)cc1 588513039 OPOZIVGDYFGITD-ZDUSSCGKSA-N 307.357 4.526 30 20 DJED Cc1c(C(=O)N2C3CCCC2CCC3)sc2ccc(C#N)cc12 590277779 PULYLLAAOXPIRU-UHFFFAOYSA-N 324.449 4.629 30 20 DJED CCOc1cc(Cl)ccc1NC(=O)CC1(C#N)CCCCC1 597383423 ZWPDHQBECRDZQW-UHFFFAOYSA-N 320.820 4.541 30 20 DJED Cc1cnc2c(NC(=O)CCCCCC#N)cccc2c1Cl 602360052 IFGGWZHHMGBHKQ-UHFFFAOYSA-N 315.804 4.609 30 20 DJED C=CC[C@H](C)NC(=O)Nc1cccc(Sc2ccccc2)c1 604907339 ZZBREESVWZLQHZ-AWEZNQCLSA-N 312.438 4.924 30 20 DJED CC[C@H](N[C@@H]1CSCc2ccccc21)c1ccc(C#N)cc1 618570505 LYMHJWGRWCYFFV-RBUKOAKNSA-N 308.450 4.587 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(C)s2)c(Cl)c1OC 730433586 GVXOPNXCODIUFC-ALCCZGGFSA-N 322.813 4.623 30 20 DJED CC(=NNc1ccc(OCC(F)(F)F)cc1)C1CCCC1 733076120 GYYZRRKQCQOZGQ-UHFFFAOYSA-N 300.324 4.606 30 20 DJED CC(=NNc1ccc(Br)c(C)c1)c1ccsc1 749105916 ZPZRPZSCDWCBJM-UHFFFAOYSA-N 309.232 4.655 30 20 DJED COc1ccc(/C=C/C(=O)c2coc(C(C)C)n2)c2ccccc12 752887440 KNALKXRPLMLFFY-CSKARUKUSA-N 321.376 4.856 30 20 DJED C#Cc1cccc(NC(=O)N2CCC[C@@H]2c2cc(C)ccc2C)c1 762208249 FHWDKHVCZYCWCI-HXUWFJFHSA-N 318.420 4.654 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)C(F)=C1CCCC1 763044533 NNNHZYRGKVPGIN-LBPRGKRZSA-N 318.417 4.674 30 20 DJED C=CC[C@@H](N[C@@H](CC)c1cc(F)ccc1F)c1ccncc1 766021836 UZXDLQYTSCDXDJ-ZWKOTPCHSA-N 302.368 4.718 30 20 DJED CC(C)(C#N)CCCCOC(=O)/C=C\c1ccc(Cl)cc1 768394081 VKZLJGJCXJPFIR-YFHOEESVSA-N 305.805 4.616 30 20 DJED CC(C)(C1=CCCCC1)c1noc(Cc2ccccc2CC#N)n1 771726822 ZNIZGDIRRHYDAP-UHFFFAOYSA-N 321.424 4.504 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2ccccc2C(F)(F)F)c(F)c1 772802103 KNPGSDORKBNTPF-BQYQJAHWSA-N 319.257 4.612 30 20 DJED CCSc1ccccc1C(C)=NNc1nccnc1C(C)C 773089890 ALYHQQDAJQEAJD-UHFFFAOYSA-N 314.458 4.548 30 20 DJED C#CCCCCCC(=O)N(CCCC)[C@@H](C)c1ccc(C)o1 779829337 GXWGWQHHQXGICU-KRWDZBQOSA-N 303.446 4.861 30 20 DJED C[C@@H](CCCc1ccccc1)C(=O)OCCCC(C)(C)C#N 784543445 CUOGGHHJNZPEOQ-INIZCTEOSA-N 301.430 4.519 30 20 DJED C=C[C@](C)(CC)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 785594302 QNPMMYYUNUFNOW-LJQANCHMSA-N 324.449 4.505 30 20 DJED FCC[C@@H]1CCCC1=NNc1ccnc2cc(Cl)ccc12 794858415 IKWSSDUUGXXODG-NSHDSACASA-N 305.784 4.816 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(C)o2)cc1OCC(C)C 797195711 RFCQDYDJTJPYJM-VURMDHGXSA-N 314.381 4.528 30 20 DJED C#C[C@H](C)NC(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 806337904 JNPCDYJEZSKGSF-GJZGRUSLSA-N 324.449 4.683 30 20 DJED C=C(C)C(C)(C)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 819944542 AURUUKITRMWNKC-HNNXBMFYSA-N 324.449 4.897 30 20 DJED C=C[C@H](Cc1nc(CCCc2ccccc2)no1)c1ccccc1 904457530 IROAXISRFCOIEU-GOSISDBHSA-N 318.420 4.757 30 20 DJED FC(F)(F)c1cccnc1NN=C1CC[C@H]2CCCC[C@@H]2C1 915050519 TWBSTAVRVOZVDF-VXGBXAGGSA-N 311.351 4.859 30 20 DJED C=CCN(C(=O)c1sc2cccc(C)c2c1Cl)C(C)C 915153247 IBFBUHKUEFTQAO-UHFFFAOYSA-N 307.846 4.900 30 20 DJED CCCCCCCCSc1nnc(-c2ccoc2C)n1C 915790946 BGBIUBHGHZZIKZ-UHFFFAOYSA-N 307.463 4.836 30 20 DJED C[C@H](SCC1(CC#N)CC1)c1cccc(Br)c1 1166246855 NKTLFDNIBXIDQZ-NSHDSACASA-N 310.260 4.937 30 20 DJED N#Cc1ccccc1SCc1ccc(CN2CCCCC2)cc1 1188788677 ORXIEYLAMIXVSP-UHFFFAOYSA-N 322.477 4.836 30 20 DJED C[C@@H]1CC[C@@H](C)N(C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1205529056 XYRZKNFGHSDQNS-VXGBXAGGSA-N 319.474 4.570 30 20 DJED Cc1cc(N2CCCC[C@@H]2CCCc2ccccc2)ncc1C#N 1307074827 MAJGCYRMOIXKEX-HXUWFJFHSA-N 319.452 4.644 30 20 DJED CC(C)CN(CC1CCC(F)(F)CC1)c1ccc(C#N)cc1 1307552983 ZOAFTDRNDPYORB-UHFFFAOYSA-N 306.400 4.846 30 20 DJED Cc1cc(CN[C@H](C)Cc2ccc(C(C)C)cc2)ccc1C#N 1308333246 LESJFGFXBPENFX-QGZVFWFLSA-N 306.453 4.711 30 20 DJED CCOc1ccc(C#N)cc1N[C@H](CC)Cc1ccc(C)cc1 1308677341 OMVSHDFRMXESBC-GOSISDBHSA-N 308.425 4.699 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1Sc1ccccc1O 1472850619 ORHXEDGHONWEHD-UHFFFAOYSA-N 312.781 4.617 30 20 DJED N#Cc1cc(C(=O)N[C@H](CC2CCCC2)c2ccccc2)cs1 1520082712 AYTFDQLZCCHQEX-GOSISDBHSA-N 324.449 4.671 30 20 DJED Cc1ccc(-c2ccccc2NC(=O)c2sccc2C#N)s1 1535315797 QSGCRAYAENNSBK-UHFFFAOYSA-N 324.430 4.909 30 20 DJED Cc1oc(C#N)cc1C(=O)N(C(C)C)[C@@H](c1ccccc1)C(C)C 1539384588 BAJFTPNEXHVNSM-LJQANCHMSA-N 324.424 4.708 30 20 DJED C[C@@H]1CCCC[C@H]1NCc1ccc(-c2ccccc2C#N)cc1 1617013426 CLAVZRBFFMFEAW-IIBYNOLFSA-N 304.437 4.894 30 20 DJED C[C@H](CNc1ncc(C#N)cc1F)c1c(Cl)cccc1Cl 1639393026 CUOBTXPQWODHHE-SECBINFHSA-N 324.186 4.615 30 20 DJED CC(C)CN(Cc1ccc(C#N)s1)c1ccc(Cl)cc1 1642038410 YIEYEZWHZSUMAQ-UHFFFAOYSA-N 304.846 4.936 30 20 DJED CC(C)C[C@@H]1CCC[C@@H](Nc2ccccc2O[C@H](C)C#N)C1 1651997332 KPAOQVFMJVOXGW-IXDOHACOSA-N 300.446 4.994 30 20 DJED Cc1ccc(OC(F)F)c(CSc2cccc(F)c2C#N)c1 1652861364 ZIMAUZKMIZWTHL-UHFFFAOYSA-N 323.339 4.900 30 20 DJED CC(C)(C#N)CCN(Cc1ccco1)c1ccc(Cl)cc1 1653667660 FWMDCMYDXZPBLN-UHFFFAOYSA-N 302.805 4.879 30 20 DJED Cc1ccc([C@H]2CCCCN2c2ccc(Cl)c(C#N)n2)cc1 1655192012 KZBABDIOPCXWOD-QGZVFWFLSA-N 311.816 4.647 30 20 DJED Cc1cc(S[C@@H](C)C(=O)Nc2cccc(C)c2C)ccc1C#N 1656666322 CXMBTNPPBJHKOW-HNNXBMFYSA-N 324.449 4.603 30 20 DJED Cc1cc(CN2CCCc3cc(C(C)C)ccc32)ccc1C#N 1659385324 KRDDGDAZPIFXBI-UHFFFAOYSA-N 304.437 4.943 30 20 DJED CCCC1CCC(C=NNc2cccc(C(=O)O)c2C)CC1 1776087438 CCTAURIFNAIMOD-UHFFFAOYSA-N 302.418 4.697 30 20 DJED CCCCCCCCCCCN(C)Cc1occc1C(=O)O 1776787735 HDILGCYMFHXBJX-UHFFFAOYSA-N 309.450 4.940 30 20 DJED CC[C@H](Nc1cccc(OCCCC#N)c1)c1cccs1 37777495 KOEDYZPIOTVNPU-INIZCTEOSA-N 300.427 4.994 30 20 DJED C=C(C)CN(CC)C(=O)c1ccc(C2SCCCS2)cc1 52819298 XEKMEQPNMKGJKH-UHFFFAOYSA-N 321.511 4.594 30 20 DJED CC(C)[C@H](C)SCC(=O)c1cn(CCC#N)c2ccccc12 79081839 SXHDQBPVABVYLS-AWEZNQCLSA-N 314.454 4.515 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCc1ccc(F)cc1 109002046 YZLQWQDFPYGWQE-ZDUSSCGKSA-N 300.402 4.832 30 20 DJED CCC(=CC(=O)Nc1ccccc1S[C@H](C)CC#N)CC 129304662 KGBNRAASCYLSID-CYBMUJFWSA-N 302.443 4.766 30 20 DJED CCCCCCC[S@](=O)Cc1ccc(OC(F)F)cc1 133130369 NKZDUOSTXHBWCG-HXUWFJFHSA-N 304.402 4.507 30 20 DJED N#Cc1cc(CNc2ccc(SC(F)F)cc2)ccc1F 176960300 IXEXZPNOLJJTRE-UHFFFAOYSA-N 308.328 4.624 30 20 DJED N#CCCCCN[C@H]1CCCc2c(Cl)sc(Cl)c21 178640834 FIDTVINCXZXZMZ-JTQLQIEISA-N 303.258 4.716 30 20 DJED C[C@@H](N[C@H]1CC(C)(C)c2ccccc21)c1ccc(OCC#N)cc1 180539023 VATIFZMHBUZXML-QRWLVFNGSA-N 320.436 4.662 30 20 DJED CC(C)(CCC#N)CN[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 280737763 WNYWZKZJVWEWJQ-KOMQPUFPSA-N 324.390 4.871 30 20 DJED CSc1ccccc1[C@@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 281919423 AKGRBMLNPVNCGP-QWHCGFSZSA-N 314.429 4.831 30 20 DJED CC[C@H](C)Sc1ccc(NC(=O)[C@@](C)(C#N)CC)c(C)c1 288671598 SSTWLMAJNUIQRC-SUMWQHHRSA-N 304.459 4.764 30 20 DJED C[C@@H](Sc1nc2c(cc1C#N)CCCC2)c1ccc(C#N)cc1 303739289 YMTKCOXBDIRCAE-CYBMUJFWSA-N 319.433 4.557 30 20 DJED CC[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc(Cl)cc1 315906016 RHTFGUDQSIIDGX-HNNXBMFYSA-N 315.760 4.683 30 20 DJED CC(O)=Nc1ccc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)cc1 328987571 HJPJIBZFHMEKQS-JCGIZDLHSA-N 314.429 4.840 30 20 DJED C[C@H](CC1CCCCC1)/C(O)=N/Cc1nnc(C(C)(C)C)s1 329811929 CBURCMYNNPLLCX-GFCCVEGCSA-N 323.506 4.899 30 20 DJED N#CCC[C@H](NC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)c1ccccc1 354194825 JADNJVFVCCWZAO-AFYVEPGGSA-N 324.468 4.754 30 20 DJED COc1ccc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c(C)c1 417372312 VTTZWZGDXKXBFV-YCRPNKLZSA-N 320.436 4.604 30 20 DJED C=CCC[C@@H](NC(=O)NCc1ccc(C)s1)c1ccccc1 434964927 RWRCHZYLPXEGBY-QGZVFWFLSA-N 314.454 4.563 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1ccc(OC(C)C)cc1Cl 439388633 SNVFCPXGWDDCAS-GFCCVEGCSA-N 310.825 4.603 30 20 DJED Cc1cc2cc(C(=O)Nc3ccc(C#N)c(Cl)c3)oc2cc1C 443814807 JSTXYJGOSNLETK-UHFFFAOYSA-N 324.767 4.827 30 20 DJED C=C[C@H](CC(=O)N1Cc2ccccc2C[C@@H]1CC)c1ccccc1 466302909 MGHVHWAQUXAMDN-UTKZUKDTSA-N 319.448 4.710 30 20 DJED COc1ccc(Cl)cc1[C@H](CC(C)C)N[C@H]1CC[C@H](C#N)C1 471599458 SJDVKEZYCUEKHL-QRTARXTBSA-N 320.864 4.718 30 20 DJED C=C1CCN(C(=O)C23CC4(C)CC(C)(CC(C)(C4)C2)C3)CC1 475415489 WNUAQOONEVCHDM-UHFFFAOYSA-N 301.474 4.552 30 20 DJED C=CCCCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 479538420 BNQXEJXIKQUNBE-UHFFFAOYSA-N 320.392 4.954 30 20 DJED C=CCOCCCC(=O)N(C1CCCC1)[C@H](C)c1ccccc1 485464156 HYSXWXGPTRGSKW-QGZVFWFLSA-N 315.457 4.502 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1cc(-c2ccccc2)cnc1C 488922918 UXBCMCKINPHJAU-SFHVURJKSA-N 321.424 4.629 30 20 DJED CC[C@@](C)(C#N)C(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 504650577 PYLGCVADJXOOGP-IBGZPJMESA-N 308.381 4.666 30 20 DJED CC(C)(C#N)CCN[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 511813366 FEZHYBIUYGPUBB-JKSUJKDBSA-N 324.390 4.871 30 20 DJED N#CC1(CSCc2ccc(Br)cc2Cl)CC1 537319490 UUEDTJDGUHHBRT-UHFFFAOYSA-N 316.651 4.639 30 20 DJED CC(C)c1cccc(-c2ccc(C(=O)N[C@](C)(C#N)C(C)C)o2)c1 537348448 YTHKMWWOTDXHJC-HXUWFJFHSA-N 324.424 4.738 30 20 DJED N#CCCCCCC(=O)Nc1cc(Cl)c(F)c(Cl)c1 588165258 MVIFNIIMDLLEHZ-UHFFFAOYSA-N 303.164 4.545 30 20 DJED CCc1ccc([C@H](NC(=O)CCCCCC#N)C(C)C)cc1 588371091 CNKUUQVICOHWLW-LJQANCHMSA-N 300.446 4.536 30 20 DJED C[C@H](Nc1ccccc1SCCC#N)c1cccc(C#N)c1 600846301 AKEBWSKYQUXJQV-AWEZNQCLSA-N 307.422 4.737 30 20 DJED CC(C)c1ccc(NC(=O)c2cc3ccccc3n2CC#N)cc1 609159564 ODBNHIQLZSRSMZ-UHFFFAOYSA-N 317.392 4.541 30 20 DJED N#Cc1ccccc1SCc1cccc(OCC(F)(F)F)c1 610206820 RRAMTDYEVICBKC-UHFFFAOYSA-N 323.339 4.792 30 20 DJED COc1ccc2c(c1)C(=O)/C(=C/c1cc3ccccc3o1)CC2 741848885 QNAZYAYHFQIUBV-RVDMUPIBSA-N 304.345 4.654 30 20 DJED CC(C)(C#N)CCCN1CCC(c2cc3ccccc3[nH]2)CC1 746663604 SJHFSVRQEWFRRN-UHFFFAOYSA-N 309.457 4.677 30 20 DJED C[C@@H](OC(=O)Cc1ccc(C#N)cc1)c1ccc2ccccc2c1 750246849 UHYOJGZJFAPMSP-OAHLLOKOSA-N 315.372 4.558 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2csc(Cl)c2Cl)s1 761477934 BVZJCUJOILPPGL-IWQZZHSRSA-N 314.218 4.884 30 20 DJED CCCCCCCc1nc([C@@H](OCC)c2ccccc2)no1 771730891 SFZVPRMFNFLPGK-KRWDZBQOSA-N 302.418 4.708 30 20 DJED C[C@@H](C(=O)OCCC(C)(C)C#N)c1c(Cl)cccc1Cl 776381004 BJAGYIUDKYSKKB-SNVBAGLBSA-N 314.212 4.580 30 20 DJED C#CCCCCCC(=O)Nc1ccc(Oc2cccnc2)c(C)c1 779868498 UJEUVELZHQORLY-UHFFFAOYSA-N 322.408 4.705 30 20 DJED CCCCCCCCC(=O)N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 791274113 QHXDSWMCVJXGIQ-ZFWWWQNUSA-N 320.304 4.779 30 20 DJED C=CCC1(C(=O)OCc2csc(C3CCCC3)n2)CCC1 791558375 MNGGDAOHRXQLSV-UHFFFAOYSA-N 305.443 4.590 30 20 DJED C#Cc1ccc(CNc2cc(NC(=O)C(C)(C)C)ccc2C)cc1 809601249 XXHLKMKXUQWLBJ-UHFFFAOYSA-N 320.436 4.573 30 20 DJED C=CC(C)(C)CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 892522685 KPFVTKDLCQTKAC-CQSZACIVSA-N 310.422 4.589 30 20 DJED CCOc1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1 917557977 YGLJMFBJSMWEKR-UHFFFAOYSA-N 310.180 4.848 30 20 DJED CCCCCCCC(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 917864249 AUGBRMMPRCRIAV-GOSISDBHSA-N 305.437 4.720 30 20 DJED C=CCN(C(=O)N[C@H](Cc1ccccc1)c1ccccc1)C(C)C 918058946 BHRQKDIPWMOZSI-HXUWFJFHSA-N 322.452 4.576 30 20 DJED CC(CCc1ccc(C)cc1)=NNc1ncccc1C(F)(F)F 920372624 UATIZQAVTLSJAX-UHFFFAOYSA-N 321.346 4.829 30 20 DJED CC(C)(C)c1cccc(C(=O)Nc2ccc(C#N)c(Cl)c2)c1 1124359787 UYZPVVGUUGFWNF-UHFFFAOYSA-N 312.800 4.761 30 20 DJED Cc1c(Cl)cnc(N[C@@H]2CCCCC23CCCC3)c1C#N 1163408488 MEUSGAYWWIZANJ-OAHLLOKOSA-N 303.837 4.830 30 20 DJED CC[C@H](Nc1nc(C#N)c(Cl)s1)c1cccc(Cl)c1 1185565484 RWVNPFRTQKROID-JTQLQIEISA-N 312.225 4.885 30 20 DJED CC[C@@H](OC(=O)c1ccc(C#N)n1C)c1ccc(C(C)(C)C)cc1 1266803071 WSBRGGGNQGYBHM-GOSISDBHSA-N 324.424 4.502 30 20 DJED CC(CC(C)(C)c1ccccc1)=NNc1ccc(C(C)(C)C)nn1 1318929235 NUDOGFWBOSLPAV-UHFFFAOYSA-N 324.472 4.930 30 20 DJED CC[C@@H](C)CC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 1357956677 ZKHIDIKFJJJNQN-GFCCVEGCSA-N 324.449 4.760 30 20 DJED Cc1oc(-c2ccccc2)cc1C(=O)Nc1cccc(C#N)c1C 1457713842 MLTIMUKABTYASW-UHFFFAOYSA-N 316.360 4.687 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2Cc3ccccc3C(C)(C)C2)n1 1458300060 AMOCRKBNJHENRL-UHFFFAOYSA-N 319.452 4.549 30 20 DJED Cc1cc(N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)ncc1C#N 1458442833 YKBVITRYWSUUSO-RHSMWYFYSA-N 311.816 4.663 30 20 DJED N#Cc1cnc(N2CCC[C@@H]2c2cccc3ccccc23)c(F)c1 1472668367 YVUCXJVODSGEII-LJQANCHMSA-N 317.367 4.587 30 20 DJED Cc1cc(C#N)cc(N[C@H](C)CCc2c[nH]c3ccccc23)c1 1474578457 WKHZSJSZWMVNBH-OAHLLOKOSA-N 303.409 4.781 30 20 DJED C[C@H]1CCc2sc(NC(=O)c3cccs3)c(C#N)c2[C@H]1C 1527535767 MUJHEHKVIMUPQR-UWVGGRQHSA-N 316.451 4.619 30 20 DJED CC(C)CCN(CCC#N)[C@H]1C[C@H](C)Sc2sccc21 1560657480 OBIOMHNEHMLGHL-ZFWWWQNUSA-N 308.516 4.935 30 20 DJED Cc1cc(CN(CC[C@H]2C[C@H]3CC[C@H]2C3)C2CC2)ccc1C#N 1560692641 MUBUDPPPUWVSTJ-WDSOQIARSA-N 308.469 4.657 30 20 DJED CCCC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 1562110414 MCKSXWCDTLXVFP-MLGOLLRUSA-N 319.836 4.692 30 20 DJED N#Cc1cnc(N[C@H]2CCC[C@H](c3ccccc3)C2)c(Cl)c1 1612353358 ITEIDNBHMVVTAS-HOTGVXAUSA-N 311.816 4.745 30 20 DJED CN(C(=O)CCCC1CCCC1)c1ccc(C#N)c(Cl)c1 1624017388 JFNGCNCHVRAWJJ-UHFFFAOYSA-N 304.821 4.535 30 20 DJED COc1ccc2ncc(C#N)c(OC[C@H](C)C3CCCCC3)c2c1 1644052235 SFQJCPUTJHWHDC-AWEZNQCLSA-N 324.424 4.710 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCC[C@H](c2ccccc2)CC1 1644516120 PANYUIXBVQSLKL-KRWDZBQOSA-N 324.855 4.981 30 20 DJED CC(C)(C)C[C@@H]1CCN(Cc2cccc(C#N)c2F)C1(C)C 1646129089 BDOYDEHSOCJCQA-INIZCTEOSA-N 302.437 4.734 30 20 DJED Cc1ccc([C@@H]2CCC[C@@H]2N(C)Cc2ccc(C#N)cc2F)cc1 1651738484 ZGMYISGJWWVRLF-FPOVZHCZSA-N 322.427 4.774 30 20 DJED CCN(Cc1cccc2c1CCC2)[C@@H](C)c1ccc(C#N)cc1 1658489662 LGCGOPNFAWFZLV-INIZCTEOSA-N 304.437 4.630 30 20 DJED Cc1cc(C)cc(C2=CCN(Cc3cccc(F)c3C#N)CC2)c1 1659404507 MWHFIPVQSRCDQS-UHFFFAOYSA-N 320.411 4.604 30 20 DJED CC1(C#N)CCC(Nc2ccc(SC(F)(F)F)nc2)CC1 1664973310 FDHREJRQWUQDII-UHFFFAOYSA-N 315.364 4.578 30 20 DJED C=C(CNC(=O)N1C[C@H](C(C)C)c2ccccc21)c1ccccc1 1686697017 QMTOUSWKZJHDFT-LJQANCHMSA-N 320.436 4.669 30 20 DJED COc1cc(C(=O)/C=C/c2cccc(Cl)c2)ccc1SC 60245354 YCSBLTUUMXMILW-SOFGYWHQSA-N 318.825 4.967 30 20 DJED N#Cc1cccc(CSCCOc2cccc(Cl)c2)c1 61454263 AENTZZJMEDWVPF-UHFFFAOYSA-N 303.814 4.524 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1CCCCC1 66802378 HDODDZCQMNYRPH-ZDUSSCGKSA-N 302.443 4.600 30 20 DJED CCOc1cc(C#N)ccc1OCc1c(Cl)cccc1Cl 70133881 UEAUPRAKMUSCNV-UHFFFAOYSA-N 322.191 4.843 30 20 DJED Cc1ncsc1/C=C/C(=O)c1ccc(SC(F)F)cc1 78694483 CIALIVOEWCPNSE-VOTSOKGWSA-N 311.378 4.662 30 20 DJED C[C@H](C#N)CSc1ccccc1NCc1cnc(Cl)s1 89660330 VBOBPEICEUABCN-SNVBAGLBSA-N 323.874 4.660 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc(-c2cnco2)cc1)c1ccccc1 186914773 VGUSHSCMMRQMPH-GOSISDBHSA-N 318.376 4.640 30 20 DJED C=C(C)[C@H](NCc1csc(C(C)C)n1)c1ccc(F)c(F)c1 187370757 MOWAOWNGIZSICN-INIZCTEOSA-N 322.424 4.952 30 20 DJED COc1cc(C(=O)/C=C\c2ccc(C)cc2)ccc1OC(F)F 210060307 UJJYYENMOFEWBM-CLFYSBASSA-N 318.319 4.501 30 20 DJED C#CCCCC(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 277068036 SFSZBCHWILAQCV-MRXNPFEDSA-N 311.450 4.641 30 20 DJED CC(O)=Nc1ccc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)cc1 328987569 HJPJIBZFHMEKQS-BMGDILEWSA-N 314.429 4.840 30 20 DJED C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1CCCCC#N 441062618 NJGNDMZFKWTUGV-XMSQKQJNSA-N 318.464 4.759 30 20 DJED C=C(CN[C@@H](C)c1nc(C(F)(F)F)cs1)c1ccccc1 467744375 TWLWRPGDDZUMRM-NSHDSACASA-N 312.360 4.526 30 20 DJED C=C(C)[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccc(F)c(F)c1 479779868 SCQXKJNKQCYSAH-MRXNPFEDSA-N 320.314 4.543 30 20 DJED CC(C)(C)[C@@H]1C[C@@H](N[C@H](CCC#N)c2ccccc2)CS1 488440737 QQVCGYGADRJGQV-ZACQAIPSSA-N 302.487 4.541 30 20 DJED CC[C@@H](CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 504494647 AZXNENJMZSTZDR-ZDUSSCGKSA-N 312.800 4.734 30 20 DJED CN(CCc1cccc2ccccc12)Cc1cc(C#N)ccc1F 507308083 WRUIXQUQYSSPPA-UHFFFAOYSA-N 318.395 4.525 30 20 DJED N#Cc1ccc(CSC2CCC(C(F)(F)F)CC2)s1 515670609 RMLVTFSUQZEKNJ-UHFFFAOYSA-N 305.390 4.974 30 20 DJED C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccccc1SCCC#N 519405458 BQEUBJIIVLWKGZ-LSDHHAIUSA-N 316.470 4.847 30 20 DJED CCC[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](CC#N)c1ccccc1 527249455 OTACUFZLSUVSJQ-QYZOEREBSA-N 312.457 4.549 30 20 DJED N#CCc1ccc(CNc2ccc(CCC(F)(F)F)cc2)cc1 543152658 WZNXXNUAFMPALT-UHFFFAOYSA-N 318.342 4.860 30 20 DJED N#Cc1ccc(CNC2(c3ccc(Cl)c(Cl)c3)CC2)cc1 545250893 GYYWABICYXKOTP-UHFFFAOYSA-N 317.219 4.644 30 20 DJED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 604901063 YRHUJEOWJILBGF-MAUKXSAKSA-N 314.473 4.795 30 20 DJED C[C@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)c1ccc(C#N)cc1 609813714 GVRDDPHORBVVSS-LBPRGKRZSA-N 323.396 4.941 30 20 DJED N#Cc1cnc(Oc2ccc(-c3cscn3)cc2)c(Cl)c1 610516099 ZSYKWHRYMGETAY-UHFFFAOYSA-N 313.769 4.522 30 20 DJED CC(C)CN(CCc1ccc(F)cc1)CC(C)(C)CCC#N 611257882 LAPMSIIHFDNZPA-UHFFFAOYSA-N 304.453 4.656 30 20 DJED Cc1cc(C#N)ccc1CN[C@H](c1ccc(F)cc1)C(C)(C)C 614402773 HWRMCDBSMMOWNA-LJQANCHMSA-N 310.416 4.883 30 20 DJED N#C[C@H]1CCC[C@H](NC(Cc2ccccc2)Cc2ccccc2)C1 618570466 DGGRDFNTEKJOOR-SFTDATJTSA-N 318.464 4.512 30 20 DJED Cc1cc2cc(CN[C@@H]3CCc4cc(C#N)ccc43)oc2cc1C 618742447 YRGZFOSRSQQQIG-HXUWFJFHSA-N 316.404 4.698 30 20 DJED Cc1cccc2c(C(=O)[C@@H](C#N)c3nc(C4CC4)cs3)coc12 647380372 JQAWVXZDRDYPDW-CYBMUJFWSA-N 322.389 4.565 30 20 DJED C[C@@H](CC(C)(C)C#N)NCc1cccc(OCc2ccccc2)c1 695864783 OQBMGRDDRSQQMQ-KRWDZBQOSA-N 322.452 4.684 30 20 DJED CC(C)(C)Cc1nc2cc(N=Cc3ccccc3O)ccc2o1 731155959 XLWZRHWVHWJOJR-UHFFFAOYSA-N 308.381 4.873 30 20 DJED C[C@H](NN=Cc1cc(C(F)(F)F)ccc1F)c1ccccc1 733203734 XULCVZVIDMEBKP-NSHDSACASA-N 310.294 4.529 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C/c3cccc(Cl)c3)c2c1 734307402 OKXGYDDEZRAIDW-VMPITWQZSA-N 311.768 4.726 30 20 DJED Oc1ccc2ccccc2c1/C=N/CCOC1CCCCCC1 735619630 OMTASIPBCAIUGM-RCCKNPSSSA-N 311.425 4.704 30 20 DJED C[C@H](C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1)c1ccco1 741509876 ODPPZCUPPZEHSU-AWEZNQCLSA-N 317.344 4.527 30 20 DJED Cc1cc(/C=C\C(=O)c2ccc(O)cc2)c(OC(F)F)cc1C 742429269 JVBJSBCEWOGDNE-YVMONPNESA-N 318.319 4.507 30 20 DJED C#Cc1cccc(NC(=O)N2CCCC3(CCCCCC3)C2)c1 743084534 OBPGGFWUONRBHQ-UHFFFAOYSA-N 310.441 4.636 30 20 DJED Cc1cc(C(=O)/C=C\c2coc(-c3ccccc3)n2)c(C)s1 749885387 CRMLLUSFSJXGOF-HJWRWDBZSA-N 309.390 4.916 30 20 DJED Cc1ccc(C(=O)/C=C/c2cc3ccccc3o2)cc1[N+](=O)[O-] 750894969 COSGGANUXZCTNN-CMDGGOBGSA-N 307.305 4.546 30 20 DJED COc1ccccc1-c1ccc(/C=C/C(=O)c2ccco2)cc1 769771522 PSSMQOHLYDBVGS-JLHYYAGUSA-N 304.345 4.851 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1F 776729476 UNVJEBNJACILSZ-FPYGCLRLSA-N 319.257 4.612 30 20 DJED C[C@@H](Nc1ccc(OC2CCC2)c(F)c1)c1cccc(C#N)c1 777699477 CWNFRBCWQHJVPE-CYBMUJFWSA-N 310.372 4.802 30 20 DJED COc1cc(C)c(/C=C/C(=O)c2csc(Cl)c2)cc1OC 787185641 HTUDIMHKCIFQOI-SNAWJCMRSA-N 322.813 4.623 30 20 DJED CC(=NN[C@H](C)c1ccncc1)[C@@H](C)c1nc2ccccc2s1 819816859 QPRQDDBXGBORLR-TZMCWYRMSA-N 324.453 4.522 30 20 DJED C=CC[C@@H](N[C@@H](C)Cc1coc2ccccc12)c1ccncc1 823888045 VFUUAMLNVKGISQ-HNAYVOBHSA-N 306.409 4.666 30 20 DJED N#CC1(CCCC[S@@](=O)c2ccc3ccccc3c2)CCC1 899274718 BFHTYISKFWUQDW-JOCHJYFZSA-N 311.450 4.812 30 20 DJED C=CCCCc1nc(-c2ccccc2OCc2ccccc2)no1 904465701 XQBCAHIFCFTCIV-UHFFFAOYSA-N 320.392 4.824 30 20 DJED C=CCN(C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1)C(C)C 918068868 FHISCCXAFFGTPL-KRWDZBQOSA-N 320.452 4.909 30 20 DJED CC(C)(CC(=O)CSc1ccc(C#N)cc1Cl)C1CC1 1165833147 WCIXTWJFAKOCCP-UHFFFAOYSA-N 307.846 4.699 30 20 DJED CC[C@@H]1Cc2ccccc2CN1Cc1ccccc1C(C)(C)C#N 1169013484 FYEYCDWHXBUOIT-HXUWFJFHSA-N 318.464 4.825 30 20 DJED N#Cc1cccc(CN2CC3(CCCC3)[C@H]2c2ccccc2)c1F 1170903646 DDCOYCIPCGMJPC-HXUWFJFHSA-N 320.411 4.815 30 20 DJED N#Cc1cc(S[C@@H](c2ccccc2)c2ccc(F)cc2)ccn1 1186258108 GQRHSEXKBXIWAX-IBGZPJMESA-N 320.392 4.974 30 20 DJED Cc1ccccc1[C@@H](Nc1cc(C#N)cnn1)C1CCC(C)CC1 1186907027 YERRICKAEKXVQJ-GAGFWEIESA-N 320.440 4.636 30 20 DJED Cc1nc(N2CCC[C@H](CCCc3ccccc3)C2)ccc1C#N 1307074460 GGUMOQKAMSXJPF-IBGZPJMESA-N 319.452 4.501 30 20 DJED CC(C)CC[C@@H](NC(=O)Nc1ccc(C#N)cc1)C(C)(C)C 1309984769 QARXZVBQZCEXJM-MRXNPFEDSA-N 301.434 4.531 30 20 DJED CC(C)(C)c1ccc(NN=Cc2cccc(Cl)c2Cl)nn1 1318929264 PTVBOLRJIQKZJD-UHFFFAOYSA-N 323.227 4.527 30 20 DJED Cc1cccc2sc(C(=O)O[C@H]3CC[C@H](C#N)C3)c(Cl)c12 1344605259 PCUIQJMKXAGIAV-QWRGUYRKSA-N 319.813 4.712 30 20 DJED CCC(CC)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCC2 1349745181 OAYOVNRYIJBQGH-LLVKDONJSA-N 304.459 4.509 30 20 DJED CCC[C@H](Nc1ccc(Cl)c(C#N)n1)c1ccc(F)cc1F 1458253347 OIWVVQOKYRKYFT-AWEZNQCLSA-N 321.758 4.838 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)CC1CCC(C)(C)CC1 1529380844 RDMXDXYFBBLJIB-OAHLLOKOSA-N 312.457 4.684 30 20 DJED Cc1ccnc(NC[C@@H]2CCCC[C@H]2c2ccccc2)c1C#N 1559190525 UCGHEIVLCCLDRU-ROUUACIJSA-N 305.425 4.648 30 20 DJED COc1ccc([C@@H](C)COc2c(C)cc(Cl)cc2C#N)cc1 1559428030 NOQGOPUEGHWRKO-ZDUSSCGKSA-N 315.800 4.711 30 20 DJED C=C(Cl)CN[C@@](C)(c1ccc(Br)cc1)C(C)C 1559749981 DMJPIIQKNPZPNV-CQSZACIVSA-N 316.670 4.662 30 20 DJED N#CCc1ccc(CN2CCC(c3cccc(Cl)c3)CC2)cc1 1559784129 MMLLQDTUSXGDRW-UHFFFAOYSA-N 324.855 4.786 30 20 DJED Cc1ccc(C)c(C2CCN(Cc3cccc(F)c3C#N)CC2)c1 1561037486 KBSXJUJKTOQSKZ-UHFFFAOYSA-N 322.427 4.694 30 20 DJED Cc1ccnc(N[C@@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)c1C#N 1612484568 VZLFVUNCHIIGMX-JCGIZDLHSA-N 305.425 4.646 30 20 DJED Cc1cccc(CN(Cc2cccc(C#N)c2F)CC(C)C)c1 1615285281 BZNDAGLNDHZAJH-UHFFFAOYSA-N 310.416 4.664 30 20 DJED C[C@H](CC1CCCC1)C(=O)N(c1cccc(C#N)c1)C1CCC1 1617600822 RYOGDPYMTCRRGO-OAHLLOKOSA-N 310.441 4.660 30 20 DJED C[C@H](Sc1ccnc(C#N)c1)c1cccc(C(F)(F)F)c1 1651279978 CCQZNJGTKZDSBZ-JTQLQIEISA-N 308.328 4.825 30 20 DJED Cc1cc(C)c(/C=C\CN(CCC#N)Cc2ccco2)c(C)c1 1659253910 DLOLRBJKLFQDPO-YWEYNIOJSA-N 308.425 4.634 30 20 DJED C=C(Cl)CNC(=O)Nc1ccccc1Oc1ccc(C)cc1 1672982250 QLXJKYJJTUMISC-UHFFFAOYSA-N 316.788 4.661 30 20 DJED CC(C)c1ccc(CSCC(=O)Nc2cccc(C#N)c2)cc1 7150951 NBMHMUKEFIZKBE-UHFFFAOYSA-N 324.449 4.554 30 20 DJED Cc1c(C(=O)Nc2ccc(CC#N)cc2)sc2cccc(F)c12 17368446 BXSYLHGLUGYYMD-UHFFFAOYSA-N 324.380 4.667 30 20 DJED COc1cc(C(=O)/C=C/c2sccc2C)ccc1SC 50234596 LPOVVVSKZUXTOX-FNORWQNLSA-N 304.436 4.683 30 20 DJED CCC(CC)CN(CCC#N)Cc1coc(-c2cccs2)n1 72693005 KZBBEQAGHMFFMD-UHFFFAOYSA-N 317.458 4.555 30 20 DJED N#Cc1csc(C(=O)N(c2ccccc2)C2CCCCC2)c1 84085515 FYOFECFAKGWIHF-UHFFFAOYSA-N 310.422 4.599 30 20 DJED N#Cc1c(F)cccc1Sc1nc2ccccc2n1C(F)F 110203663 ILQRKUIECWCRPW-UHFFFAOYSA-N 319.311 4.593 30 20 DJED C[C@@H](NC[C@@H](C#N)CCC#N)c1ccc(Oc2ccccc2)cc1 112540521 MXMDMKTYIGCGGC-IAGOWNOFSA-N 319.408 4.573 30 20 DJED CC(C)c1noc([C@H](C)S[C@H](C)c2ccc(C#N)cc2)n1 118444157 JJTYBVZPUJYOTP-NEPJUHHUSA-N 301.415 4.620 30 20 DJED C[C@H](NCc1cc(C#N)ccc1F)c1cccc(C(F)(F)F)c1 120114476 WXJQJHUZZOZDSQ-NSHDSACASA-N 322.305 4.567 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)[C@@H](c2ccccc2)C2CC2)cc1 122484953 LTLOOSLFVNIKFR-IBGZPJMESA-N 318.420 4.620 30 20 DJED N#CCCCCSCc1ccc(C(=O)Nc2ccccc2)cc1 161104332 BMBUXUJGIMVITN-UHFFFAOYSA-N 324.449 4.866 30 20 DJED C[C@@H]1C[C@@H]1c1ccc(CN(CCCC(C)(C)C#N)C2CC2)o1 174819654 ZVUSMHWZZPHPQN-PBHICJAKSA-N 300.446 4.697 30 20 DJED CC(C)COc1cccc(NCc2ccc(O[C@H](C)C#N)cc2)c1 177553446 GADPPHKZIBTGCN-MRXNPFEDSA-N 324.424 4.624 30 20 DJED C=CC[C@H](C)N[C@@H](C)c1ccc(SC(F)F)c(OC)c1 180952590 KSSJHXNGBJQCMP-QWRGUYRKSA-N 301.402 4.625 30 20 DJED C=CCC[C@H](C(=O)Nc1ccc(F)cc1OC)c1ccccc1 186582206 MXLCVHARALHUJU-INIZCTEOSA-N 313.372 4.523 30 20 DJED C[C@H](Nc1snc(Cl)c1C#N)c1c(F)cccc1Cl 301492514 PLZAVODYAKLFIZ-LURJTMIESA-N 316.188 4.634 30 20 DJED C=C(C)COc1cccc(NC(=O)[C@H](C)SCCCC)c1 303226578 WUGWLRVZTDSYFV-AWEZNQCLSA-N 307.459 4.502 30 20 DJED COc1ccc(-c2ccc(C)c(N=C(O)C3[C@H]4CCC[C@H]34)c2)cn1 328673570 JDCNQSFLHBYWPV-HOTGVXAUSA-N 322.408 4.700 30 20 DJED CC(C)(C)c1cc(N=C(O)[C@@H]2CCCSC2)c(C#N)s1 329768821 HAGWODDFUHSEIK-SNVBAGLBSA-N 308.472 4.648 30 20 DJED CC(O)=Nc1cccc(/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1C 329852258 UOWHNRKRETVAPR-HRCADAONSA-N 314.429 4.876 30 20 DJED N#Cc1ccc(CN(Cc2cc3cc(F)ccc3o2)C2CC2)cc1 349910734 IKOLDSGJMURMOX-UHFFFAOYSA-N 320.367 4.608 30 20 DJED Cc1ccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1C 430629684 QNSWWBNSVYRQIU-AWEZNQCLSA-N 312.438 4.548 30 20 DJED Cc1cccc([C@@H]2CCCCCN2C(=O)c2cc(C#N)oc2C)c1 435457777 MHBJBMRAWIBLDD-IBGZPJMESA-N 322.408 4.526 30 20 DJED C=CCOc1ccc(CN2CCC[C@@H]2c2ccc[nH]2)cc1Cl 435771273 VBHBOVZHDAVGFN-QGZVFWFLSA-N 316.832 4.570 30 20 DJED N#C[C@@H]1CC[C@H](NCc2ccccc2Sc2ccccc2)C1 442784434 PMLRIIOVKHEBFU-WBVHZDCISA-N 308.450 4.620 30 20 DJED CC[C@@H](NC1(c2cccc(Cl)c2)CC1)c1ccc(C#N)cc1 447580323 NVZKSXIVQIMBHG-GOSISDBHSA-N 310.828 4.942 30 20 DJED CC[C@H](Nc1cccc(NC(=O)C(C)C)c1)c1ccc(C#N)cc1 447588683 VVXIUBXEJKVYQH-IBGZPJMESA-N 321.424 4.716 30 20 DJED N#C[C@@H]1CCC[C@@H](N[C@@H](Cc2ccccc2)c2ccccc2F)C1 463237133 KFKBCVWRKZWVNS-OPYAIIAOSA-N 322.427 4.781 30 20 DJED C=CCC1(C(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)CCC1 479160898 JTRZAWZCNIMFEH-QFIPXVFZSA-N 323.480 4.630 30 20 DJED CC(C)(C#N)CC(=O)Nc1ccc(SC2CCCC2)cc1 480911502 KEIHFHJBMCYRTF-UHFFFAOYSA-N 302.443 4.600 30 20 DJED C=CCCCC(=O)Nc1c(F)cc(F)cc1-c1ccccc1 481172669 QXGIIJHTMSOIPH-UHFFFAOYSA-N 301.336 4.927 30 20 DJED CCc1cccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c1CC 487631568 KCECGYBPIVXXGV-AWEZNQCLSA-N 321.424 4.566 30 20 DJED CC(C)(C)[C@@H]1C[C@@H](Nc2cccc(OCCCC#N)c2)CS1 488339588 OBAFADVBGKPAHF-WBVHZDCISA-N 318.486 4.701 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1cccc(F)c1Cl 494986519 DZWPAAATMVUMNM-UHFFFAOYSA-N 318.779 4.699 30 20 DJED CC[C@@H](CC(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 504382473 UJQMQFKMHPPSNZ-ZDUSSCGKSA-N 312.800 4.734 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc[nH]c1C(C)C 505169567 PFOPEYLQJLAPHB-UHFFFAOYSA-N 322.861 4.681 30 20 DJED CCCCc1nc(CSc2nc(C)cc(C)c2C#N)cs1 510052908 FVBGVZGUFYVJRE-UHFFFAOYSA-N 317.483 4.662 30 20 DJED CCc1c(N[C@H]2CCc3ccc(C#N)cc32)cnn1C(CC)CC 521122557 ULGUTHHUFCOAMA-SFHVURJKSA-N 322.456 4.778 30 20 DJED CC[C@@H](CC(=O)N(CCC#N)CC(C)(C)C)c1ccc(C)cc1 523086666 OWJGKXJNHIQBOM-KRWDZBQOSA-N 314.473 4.667 30 20 DJED C=CCCO[C@@H](C)c1nc(-c2ccc(OC(C)(C)C)cc2)no1 545570797 OTBHPFDCGUJMFS-ZDUSSCGKSA-N 316.401 4.568 30 20 DJED C=CCC[C@H](NCc1ccc(Cl)cc1OC)c1ccco1 552268497 LQLVVLIREUKQSG-HNNXBMFYSA-N 305.805 4.739 30 20 DJED C[C@@H](Nc1ccccc1NC(=O)CC(C)(C)C#N)c1ccccc1 565206461 WURCESZCUFZAMF-OAHLLOKOSA-N 321.424 4.738 30 20 DJED C[C@@H](c1cc2ccccc2o1)N(C)c1nccc(C#N)c1Cl 570577773 NWSKBFHTSWQJPF-NSHDSACASA-N 311.772 4.550 30 20 DJED Cc1[nH]c2ccccc2c1C1CCN(c2ccc(C#N)cc2)CC1 603873116 DYRDBEQIJBQHAZ-UHFFFAOYSA-N 315.420 4.732 30 20 DJED N#Cc1ccc(Oc2cccc(NC(=O)C[C@@H]3C=CCC3)c2)cc1 609176639 QLXMKBCVZYHPEE-OAHLLOKOSA-N 318.376 4.645 30 20 DJED CSc1ccc(C)c(C(=O)O[C@@H](C)c2cccc(C#N)c2)c1 727640620 MIUPUPQTIFAMLM-ZDUSSCGKSA-N 311.406 4.507 30 20 DJED CC[C@H](C)c1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1 755301105 CMJMXKWIXVOWCN-HNNXBMFYSA-N 300.446 4.602 30 20 DJED O=C(/C=C/c1ccc(F)c(C(F)(F)F)c1)c1ccsc1 755592281 YTKOLSCUQATHJM-DUXPYHPUSA-N 300.276 4.802 30 20 DJED CC(=NNc1nc(C(F)(F)F)cs1)c1ccc(C)cc1C 755904826 ONGWXSBFKLHXLY-UHFFFAOYSA-N 313.348 4.615 30 20 DJED C#CC[C@@H](N[C@@H](C)c1ccc2ccccc2c1O)c1ccccc1 756774911 FCCMLGBMAJRUAB-HRAATJIYSA-N 315.416 4.961 30 20 DJED CCc1ccc(C(=O)/C=C/c2sccc2Br)o1 764917418 RRJNZAWTZXRRFX-GQCTYLIASA-N 311.200 4.562 30 20 DJED N#Cc1ccc(F)c(CN[C@H]2CC=C(c3ccc(F)cc3)CC2)c1 779412914 PBQJNLLNGOUJJH-IBGZPJMESA-N 324.374 4.562 30 20 DJED CC(C)Oc1ccc(NCc2cccc(C#N)c2)c(Cl)c1 780309179 SIIMKJOFASDNCM-UHFFFAOYSA-N 300.789 4.611 30 20 DJED CCC(=NNc1ccnc(F)c1)c1ccc(Cl)cc1Cl 781127667 PPRBQJJKZFELOJ-UHFFFAOYSA-N 312.175 4.754 30 20 DJED CCCCCCC[C@@H](C)CNC(=O)c1c(C)noc1C1CC1 783922741 UUHKTNRVLKFVMG-CYBMUJFWSA-N 306.450 4.587 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c(Cl)c1 788361031 RXQIYTVSTLWPJF-XBXARRHUSA-N 302.160 4.761 30 20 DJED COc1ccc(N[C@H]2CCCCc3cc(C#N)ccc32)cc1F 795813695 YVJJMYLMDDKUKX-SFHVURJKSA-N 310.372 4.586 30 20 DJED COc1cccc(N[C@@H]2CCCCc3cc(C#N)ccc32)c1F 795818431 VJEWCMLAERUHML-MRXNPFEDSA-N 310.372 4.586 30 20 DJED CCCC[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 800388194 ZFHLZPNIKBALDW-DZGCQCFKSA-N 312.438 4.813 30 20 DJED N#Cc1sc(N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)nc1Cl 804680405 PTICNCFLWHTWLU-CMPLNLGQSA-N 321.808 4.555 30 20 DJED C=CCCCCCCCCNC(=O)[C@H]1CCCc2cccnc21 805277951 OGKORPZPSWJISH-SFHVURJKSA-N 314.473 4.534 30 20 DJED N#Cc1ccccc1C(=O)/C=C\c1cscc1C(F)(F)F 811690551 DNYUTSDEBWOACE-WAYWQWQTSA-N 307.296 4.535 30 20 DJED COCc1ccccc1/C=C(C)/C=C\C(=O)c1cccc(C#N)c1 814188949 ZCQUTDLMHSINPH-JNCCTMNUSA-N 317.388 4.547 30 20 DJED CCc1nocc1/C=C\C(=O)c1ccc(OC(C)C)c(Cl)c1 834441366 IDTUOIVTMSFNLA-ALCCZGGFSA-N 319.788 4.574 30 20 DJED FC(F)(F)[C@@H]1CCC[C@H](C=NNc2ccnc(Cl)c2)C1 853397282 NGMMDFGMXIJPMQ-VHSXEESVSA-N 305.731 4.501 30 20 DJED Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1ccncc1Cl 863183164 NROVGOIPFJQCAL-WAYWQWQTSA-N 320.845 4.694 30 20 DJED O=C(CC#Cc1ccccc1)N1CCCCC[C@@H]1c1ccccc1 1116271230 KFTPLKJNODRBIK-OAQYLSRUSA-N 317.432 4.572 30 20 DJED CCC[C@H](C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C(C)C 1124214446 TXIAQUJTAKAJEU-STQMWFEESA-N 318.486 4.755 30 20 DJED Cc1ccc(N(CCC#N)C(=O)C[C@@H]2CCCCC2(C)C)cc1 1142835649 PVNYRBWQUMTGFC-KRWDZBQOSA-N 312.457 4.848 30 20 DJED CC[C@@H](CCc1ccccc1)Nc1ncc(Cl)c(C)c1C#N 1163728377 KBGQUIPBTIUEBI-HNNXBMFYSA-N 313.832 4.738 30 20 DJED Cc1ccc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1C 1167464681 OXIFHNYKHJNICF-NHCUHLMSSA-N 304.437 4.575 30 20 DJED Cc1cc(SCc2cccc(Br)c2)ccc1C#N 1189582523 HWWMUMULVICFJJ-UHFFFAOYSA-N 318.239 4.922 30 20 DJED N#Cc1ccc(C2CCN(C(=O)CCCC3CCCC3)CC2)cc1 1289340565 JPCATWNJBUNRFG-UHFFFAOYSA-N 324.468 4.625 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)CCc1cccc2ccccc12 1307442585 MQYLWZTYRSTSDI-KRWDZBQOSA-N 314.432 4.947 30 20 DJED CCC[C@@H](C(=O)Nc1cc(C(C)(C)C)sc1C#N)C(C)C 1358071169 BOABATUMAUYVRZ-GFCCVEGCSA-N 306.475 4.928 30 20 DJED COCC[C@@H](Sc1cccc(F)c1C#N)c1ccccc1 1473037728 HXVYPIKTCFEFEW-MRXNPFEDSA-N 301.386 4.567 30 20 DJED Cc1ccc(C(=O)N(C)[C@@H](C)CC#N)c(Sc2ccccc2)c1 1540239777 MZDOJSMADOLQKG-HNNXBMFYSA-N 324.449 4.520 30 20 DJED C=C(CNc1nc(-c2ccccc2C)ns1)c1ccccc1 1559206371 YVFSZPSCFBVZNW-UHFFFAOYSA-N 307.422 4.639 30 20 DJED Cc1cc(Sc2cccs2)n2c(nc3ccccc32)c1C#N 1611812297 LFOMJOQKUMVKSZ-UHFFFAOYSA-N 321.430 4.880 30 20 DJED CC1C[C@@H]2CC[C@H](C1)N2c1c(C#N)cnc2c(Cl)cccc12 1640177461 AFKAOVBCOPZIOZ-QXMXGUDHSA-N 311.816 4.527 30 20 DJED CN(Cc1ccc(Cl)cc1)c1nc(C(C)(C)C)ccc1C#N 1641954612 RTBRCQHHTVKAIM-UHFFFAOYSA-N 313.832 4.541 30 20 DJED Cc1cscc1CNc1c(C#N)cnc2c(Cl)cccc12 1651027383 PBZRKWCETAQOJF-UHFFFAOYSA-N 313.813 4.742 30 20 DJED N#Cc1cccc(NCC2(c3cccc(Cl)c3)CCCC2)n1 1651426976 ISBVDPGEENCSED-UHFFFAOYSA-N 311.816 4.531 30 20 DJED C[C@@H](CCc1ccccc1)N1CCC(c2ccc(C#N)cc2)CC1 1655732887 IPLNFXOEIAOGNU-SFHVURJKSA-N 318.464 4.759 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N(C)c1ccc(C(C)C)cc1 1659653794 OKLRVRVCVUTLTN-UHFFFAOYSA-N 307.397 4.658 30 20 DJED CCCc1ccc(CN(CCC)Cc2ccc(C#N)cc2)s1 1663916132 NQWPWSXUQQVOIM-UHFFFAOYSA-N 312.482 4.984 30 20 DJED C[C@@H](c1ccccc1Cl)N(C)Cc1cc(C#N)ccc1F 30972182 XJBWDKRDKUQNTI-LBPRGKRZSA-N 302.780 4.544 30 20 DJED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(C(C)(C)C)cc1 43171933 NHPODEBKYJZANY-UHFFFAOYSA-N 321.424 4.520 30 20 DJED N#Cc1cccc(CSCc2ccccc2Br)c1 58165030 GMLSQIIJKBOBMW-UHFFFAOYSA-N 318.239 4.754 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(C)c1C 60450991 IUDLGLAFXZKOCM-UHFFFAOYSA-N 319.857 4.847 30 20 DJED CC(C)Oc1ccc(C#N)cc1N[C@H](C)c1c(F)cccc1F 63640725 AHZKOVDXTBOXAW-GFCCVEGCSA-N 316.351 4.797 30 20 DJED CC(C)c1ccsc1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 159344599 DEVYKBUVIBEWEE-AWEZNQCLSA-N 318.829 4.520 30 20 DJED C[C@@H](C#N)CSc1ccccc1NCc1ccc(Cl)nc1 178387908 TUQPQEOTTGJUQS-LBPRGKRZSA-N 317.845 4.599 30 20 DJED C=CCCC[C@H](C)NC(=O)Nc1ccc(C)c(-c2ncco2)c1 179694406 LEZMMLPYZOAAPZ-AWEZNQCLSA-N 313.401 4.516 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(Cl)cc1OC(F)F 185999157 XUPGBLLEPUEIAS-UHFFFAOYSA-N 315.747 4.648 30 20 DJED Cc1ccc(C)c(COc2cc(Br)ccc2C#N)c1 308144832 JHDULLDDRSFRHJ-UHFFFAOYSA-N 316.198 4.517 30 20 DJED Cc1noc([C@@H](C)/N=C(/O)C2(C3CCCCC3)CCCCC2)n1 329906105 RWLFVOYYJUXKTN-CYBMUJFWSA-N 319.449 4.926 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(F)c(Cl)c1 341696361 FBGLQROMENDSHS-SFHVURJKSA-N 314.791 4.518 30 20 DJED C=CCC[C@H](C(=O)N1CC2(CCC2)[C@@H]1C1CC1)c1ccccc1 427597717 XOMCPWNCRJRKSD-OALUTQOASA-N 309.453 4.528 30 20 DJED CC(C)(C)c1ccc(C(=O)Nc2ccc(C#N)cc2Cl)s1 430363395 HFNILOKGOOOZTQ-UHFFFAOYSA-N 318.829 4.823 30 20 DJED COc1ccccc1-c1ccc([C@@H](C)NCC2(CC#N)CC2)cc1 430744199 NIPRBEUWTLVSQW-MRXNPFEDSA-N 320.436 4.707 30 20 DJED C=CCC[C@H](NC(=O)N1CC[C@H]1c1ccccc1)c1ccccc1 435101606 CIKDODYUHXQZCA-PMACEKPBSA-N 320.436 4.851 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc(Cl)sc1Cl 436291951 AZVOCOXFQGMYDW-BREBYQMCSA-N 320.285 4.687 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(OC)cc1C 471288536 SAVZFFSIBPCTCT-UHFFFAOYSA-N 324.424 4.614 30 20 DJED CC[C@H](NCc1ccc(Cl)cc1C#N)c1cc(F)ccc1F 480866905 FNWBLHIGPFLWJX-KRWDZBQOSA-N 320.770 4.731 30 20 DJED C[C@@H](C#N)CSc1ccccc1NCCCc1ccccc1 484759713 YQDGUQHKRFKPLB-INIZCTEOSA-N 310.466 4.983 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(C(F)(F)F)cc1 487424130 BGWAOKKEXMQSPU-CYBMUJFWSA-N 318.342 4.770 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)CCCC(C)(C)C 504394381 NQDHTUDJPDIADW-UHFFFAOYSA-N 300.446 4.513 30 20 DJED Cc1ccc(Sc2ccc(NC(=O)[C@@H](C)C#N)cc2)cc1C 522847244 LIFMASZYQZKTIU-AWEZNQCLSA-N 310.422 4.553 30 20 DJED C=C[C@@H](CC(=O)N(CCC#N)CC(CC)CC)c1ccccc1 536185950 SNYYDXFZLBMPIX-SFHVURJKSA-N 312.457 4.525 30 20 DJED C[C@H](Nc1ccc2nc(C3CC3)oc2c1)c1ccc(C#N)c(F)c1 537450080 RFMZLJHYZKUOBH-NSHDSACASA-N 321.355 4.889 30 20 DJED CC(C)c1ccc([C@H](NCCCSCC#N)C(C)C)cc1 539242871 BHRILLDBRGPVCV-GOSISDBHSA-N 304.503 4.744 30 20 DJED C=CCC(C)(C)C(=O)Nc1cccc(COC(C)(C)C)c1C 551390994 LNIBRQRPODSWOO-UHFFFAOYSA-N 303.446 4.851 30 20 DJED CC(C)(C#N)CCSCc1coc(-c2ccc(F)c(F)c2)n1 578276199 CKPLUEXGRIIURZ-UHFFFAOYSA-N 322.380 4.793 30 20 DJED N#CCCCCCC(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 590772682 CFYZKSWBRKGYOS-KRWDZBQOSA-N 322.811 4.520 30 20 DJED C=CCCOCc1nc(-c2cc3cc(Cl)cc(C)c3o2)no1 683601677 AZLCFZMWGHPQQC-UHFFFAOYSA-N 318.760 4.537 30 20 DJED C#Cc1cccc(N(C(=O)c2oc3ccccc3c2C)C(C)C)c1 728248585 XMOWWVCDEHQUQC-UHFFFAOYSA-N 317.388 4.778 30 20 DJED C[C@H](SCCCOc1ccc(C#N)cc1)c1ccc(C#N)cc1 735675787 PIUYWOBJEBTWOZ-HNNXBMFYSA-N 322.433 4.693 30 20 DJED O=C(/C=C/c1cc2ccccc2o1)c1cnn(-c2ccccc2)c1 750908316 DWSNRUOCLPMMLU-ZHACJKMWSA-N 314.344 4.515 30 20 DJED C#CCCCCCC(=O)Nc1cnn(-c2ccccc2)c1C(C)C 754429640 MOTNBFLDENNASK-UHFFFAOYSA-N 323.440 4.518 30 20 DJED C#CC[C@@H](NC(=O)Nc1ccccc1C(C)(C)C)c1ccccc1 757777541 GPKNLKVQEKMZFB-GOSISDBHSA-N 320.436 4.870 30 20 DJED C[C@H](CCSc1ccccc1)OC(=O)C1(C#N)CCCCC1 769999448 YNEBKMTUZWEQBL-OAHLLOKOSA-N 317.454 4.575 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2ccc(Cl)cc2Cl)c(F)c1 772803778 URCNNMRPXARPFW-UTCJRWHESA-N 320.150 4.900 30 20 DJED COc1cc(C)c([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1C 787026661 NGDSEQRAINKODI-YWZLYKJASA-N 320.436 4.522 30 20 DJED C#CCC(C)(C)C(=O)Nc1cc(-c2ccccc2)ccc1Cl 791973760 FOADKJBRSNOWGJ-UHFFFAOYSA-N 311.812 4.995 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc(N(C)c3ccccc3)nc2)o1 797788154 KNTDVOXWVXBLLG-LUAWRHEFSA-N 318.376 4.647 30 20 DJED Cc1ccc(COc2cccc(N[C@H]3CC[C@H](C#N)C3)c2)cc1 799724309 KRLAQRABWCRQKJ-HKUYNNGSSA-N 306.409 4.678 30 20 DJED CCSc1ccc(C(=O)/C=C\c2cccc(F)c2C#N)cc1 811694221 UKFAQJCNIRVWOF-FLIBITNWSA-N 311.381 4.705 30 20 DJED CC(C)=CCC[C@H](C)CC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842943080 PGGCYXULAMFYJS-ZFWWWQNUSA-N 316.470 4.969 30 20 DJED CCCCCCCCC(=O)Nc1ccc(NC(C)=O)c(C)c1 892807929 ZHOLRPUFKFRCQA-UHFFFAOYSA-N 304.434 4.643 30 20 DJED COc1cccc(OC)c1SCCCCC1(C#N)CCC1 901538766 VKPUDGQVYSCRHO-UHFFFAOYSA-N 305.443 4.660 30 20 DJED CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1cc(F)ccc1OC 903370978 MIDKCBHETHDIBG-UGSOOPFHSA-N 312.388 4.508 30 20 DJED Fc1cccc(N2CCCC2)c1C=NNc1ccc(Cl)cc1 916246697 IORBDTMWXNZQKI-UHFFFAOYSA-N 317.795 4.525 30 20 DJED Cc1oc(-c2ccccc2)cc1C(=O)N(CCC#N)CC(C)(C)C 1125955189 JQCFSAZFTBSKKC-UHFFFAOYSA-N 324.424 4.657 30 20 DJED N#C[C@@H]1CCC[C@@H](OC(=O)C2CCC(c3ccccc3)CC2)C1 1129725068 QSLPQTAQTIGGKX-JYPHPWERSA-N 311.425 4.586 30 20 DJED N#C[C@@H](CCc1ccccc1)S[C@H]1CCc2ccccc2C1 1189702447 OJOJRFQYVKQUCB-VQTJNVASSA-N 307.462 4.802 30 20 DJED C/C(=C/c1nnc(-c2cccc(C#N)c2)o1)c1cccc(Cl)c1 1326301275 ITNBIFWUFQMCOL-WQLSENKSSA-N 321.767 4.822 30 20 DJED N#Cc1cc(C(=O)N(c2ccccc2)C2CCCCC2)cs1 1328335382 YVDYGHSXSLLWCP-UHFFFAOYSA-N 310.422 4.599 30 20 DJED Cc1ccc(C(=O)N2CCCc3cc(C(C)C)ccc32)cc1C#N 1353652868 JKULYHKZBNBKOW-UHFFFAOYSA-N 318.420 4.583 30 20 DJED CCCC[C@H](CC)CC(=O)N(C)c1ccc(C#N)c(Cl)c1 1438272568 QDGDWTQZTIQCOF-ZDUSSCGKSA-N 306.837 4.781 30 20 DJED N#Cc1nc(N[C@@H](c2ccc(F)cc2)C2CCC2)sc1Cl 1458174922 ZEMWEPDCOVJJNF-CYBMUJFWSA-N 321.808 4.761 30 20 DJED C[C@H]1CCC[C@H](OCc2cccc(Nc3ccc(C#N)cn3)c2)C1 1472674458 JDGPXZNYROZZFV-KXBFYZLASA-N 321.424 4.792 30 20 DJED CC[C@H](C)CN(C)CCC(C#N)(c1ccccc1)c1ccccc1 1473166305 RUIQDNXMFWCUQT-IBGZPJMESA-N 320.480 4.864 30 20 DJED CCN(C/C=C/c1cccc(F)c1)[C@@H](C)c1ccc(C#N)cc1 1474370682 ZZJMQJATDAEBKY-YERXGYGTSA-N 308.400 4.794 30 20 DJED N#Cc1ccc(C(=O)NCc2ccc(C3CCCCC3)cc2)s1 1526597914 HUENXIMWYVNUCN-UHFFFAOYSA-N 324.449 4.597 30 20 DJED CC(C)(CC1CCCCCC1)NC(=O)c1cc(C#N)ccc1F 1537442151 SFTZSKRXHCNGPV-UHFFFAOYSA-N 316.420 4.566 30 20 DJED Cc1c(F)cccc1C(=O)Nc1scc(C(C)(C)C)c1C#N 1544840167 QMPWFLOZVSXRAY-UHFFFAOYSA-N 316.401 4.617 30 20 DJED CC(C)(C)c1ccc(C2(CNc3cccc(C#N)n3)CCC2)cc1 1559093519 DTMHYIYXRQGLAM-UHFFFAOYSA-N 319.452 4.785 30 20 DJED CCCN(Cc1cc(C#N)ccn1)[C@@H](C)c1cc2ccccc2o1 1615265220 OESWQWXDCRXTGA-HNNXBMFYSA-N 319.408 4.673 30 20 DJED COc1cc(Cl)c(Cl)cc1N[C@@H](C)CC(C)(C)C#N 1621251094 ZNEOFUNZBRHTJF-VIFPVBQESA-N 301.217 4.742 30 20 DJED CCCc1ccc(-c2ccc(Nc3ccc(C#N)nn3)cc2)cc1 1639512577 CUKORBKUMMIEFH-UHFFFAOYSA-N 314.392 4.711 30 20 DJED CC(C)(C)C[C@@H]1CCN(c2ncc(C#N)cc2Cl)C1(C)C 1640153085 ZQWJNCHDHBMSHS-ZDUSSCGKSA-N 305.853 4.648 30 20 DJED CC1(C#N)CCC(NCc2ccc(-c3cccs3)cc2)CC1 1651299688 HQCWVQCZQATZSK-UHFFFAOYSA-N 310.466 4.977 30 20 DJED Cc1cc(SCc2cccc(OC(C)(C)C)n2)ccc1C#N 1652058519 LBOLXZROZBTSES-UHFFFAOYSA-N 312.438 4.731 30 20 DJED C[C@@H](CN1CCC(c2ccc(C#N)cc2)CC1)C1CCCCC1 1654932814 QIYBYUAKOAZXAE-KRWDZBQOSA-N 310.485 4.954 30 20 DJED N#Cc1ccc(Oc2cnc3c(Cl)c(Cl)ccc3c2)nc1 1655634950 DDQULXHIAHETBA-UHFFFAOYSA-N 316.147 4.601 30 20 DJED Cc1cc(C)c(/C=C/CN(C)Cc2cccc(C#N)c2)cc1C 1658653721 FHLOAOOTCGXNRF-RMKNXTFCSA-N 304.437 4.629 30 20 DJED CCC(C)(C)c1ccc(NC(=O)NCc2ccc(C#N)cc2)cc1 1677229475 DPOTYVVOICAGIT-UHFFFAOYSA-N 321.424 4.568 30 20 DJED CC(C)(C)C1CCC(C=NNc2ccc(C(=O)O)c(F)c2)CC1 1776074567 IGIMGXSALOWIMI-UHFFFAOYSA-N 320.408 4.774 30 20 DJED CC1(C)Sc2ccccc2C(=O)/C1=C/c1cccc(C(=O)O)c1 1776573131 RCIIRQRVSNCKPF-PTNGSMBKSA-N 324.401 4.535 30 20 DJED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccs3)n2)cc1 46442893 LGEQYHQSQJFFLU-ZDUSSCGKSA-N 324.430 4.670 30 20 DJED C=C[C@@H](CC(=O)N1CCC[C@H]1c1ccccc1)c1ccccc1 127238542 PPHNCHRUZOYBFI-PXNSSMCTSA-N 305.421 4.710 30 20 DJED Cc1csc(-c2cccc(OCCCC(C)(C)C#N)c2)n1 135497285 INOMRWWAWSAISZ-UHFFFAOYSA-N 300.427 4.827 30 20 DJED CC(C)c1ccsc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 147964885 PADHGBSFINCKMD-HNNXBMFYSA-N 320.417 4.910 30 20 DJED CC[C@@H](CC#N)NC(=O)Nc1ccccc1SC1CCCC1 155688894 BWUDZCMLMCYKTP-ZDUSSCGKSA-N 317.458 4.535 30 20 DJED N#Cc1ccc(CNCc2ccccc2-c2ccc(Cl)cc2)o1 174337201 QVONNCOBCBENSP-UHFFFAOYSA-N 322.795 4.761 30 20 DJED N#Cc1ccc(CN[C@H](c2ccccc2)c2ccc(F)cc2)s1 176956536 YWMNLDRUKARKEL-LJQANCHMSA-N 322.408 4.638 30 20 DJED Cc1nc2ccccc2nc1CS[C@@H](C)c1cccc(C#N)c1 190779767 WYUVJXRVRJKGMI-AWEZNQCLSA-N 319.433 4.804 30 20 DJED C=CCN(Cc1cccs1)Cc1cnc(-c2ccco2)s1 194311271 LHICFTJERSLSNE-UHFFFAOYSA-N 316.451 4.653 30 20 DJED O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1C(F)(F)F 211701221 RWRJKWJCVYBFTQ-YFHOEESVSA-N 321.254 4.510 30 20 DJED Cc1ccccc1-c1noc([C@H](C)SCCC(C)(C)C#N)n1 276574963 FTIWQDCANPQEGC-ZDUSSCGKSA-N 315.442 4.779 30 20 DJED C[C@@H](Sc1ccc(C(F)(F)F)cn1)c1ccc(C#N)cc1 303738368 YDXJDXYQPMLHJS-SNVBAGLBSA-N 308.328 4.825 30 20 DJED COc1ccc(CNc2cccc(CC#N)c2)c2ccccc12 313405319 BGDNTWSQUQGNAE-UHFFFAOYSA-N 302.377 4.527 30 20 DJED Cc1nc(C(C)C)oc1/C(O)=N/[C@@H]1CCCCC12CCCC2 329196304 VTVMRILSVFPHAK-CQSZACIVSA-N 304.434 4.914 30 20 DJED Cc1[nH]nc(-c2ccccc2)c1N=C(O)C1CCC(F)(F)CC1 330338154 VAMXUTJBQPHFEP-UHFFFAOYSA-N 319.355 4.799 30 20 DJED CC[C@](C)(/N=C(/O)c1csc(C(C)(C)C)n1)c1nccs1 330873347 YRVSCDOMDZQQLX-HNNXBMFYSA-N 323.487 4.527 30 20 DJED CC(C)c1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)s1 354756254 PRFRHRRHAFBZTL-OAHLLOKOSA-N 312.438 4.646 30 20 DJED CCC1CCC(N(CCCC2(C#N)CCOCC2)C2CC2)CC1 410322306 UCEJTFICDFNTSN-UHFFFAOYSA-N 318.505 4.520 30 20 DJED CC(C)(C#N)CCC[S@@](=O)Cc1cc(Cl)sc1Cl 417230191 YNZLNQJKPXLJAK-GOSISDBHSA-N 324.298 4.634 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cnc(C(C)(C)C)s1 425368938 YLZXGWMJECYJGC-ZDUSSCGKSA-N 313.470 4.505 30 20 DJED Cc1cc(C)c(NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)c(C)c1 425629060 YDXFOEQVWHNVKP-MRXNPFEDSA-N 321.424 4.708 30 20 DJED CCN(C(=O)CC(C)(C)C#N)C(c1ccccc1)c1ccccc1 447350919 VISAVCRNFGOJOR-UHFFFAOYSA-N 320.436 4.564 30 20 DJED CC1(C#N)CCC(Nc2cccc(N3CCCCCC3)c2)CC1 449053981 DIJQTUWDKJCPJA-UHFFFAOYSA-N 311.473 4.951 30 20 DJED CC(C)c1ccc(NC(=O)NCC(C)(C)CC#N)c(C(C)C)c1 459252122 BJUKWNHZZTYXSJ-UHFFFAOYSA-N 315.461 4.995 30 20 DJED N#CCCCC(=O)Nc1cccc(-c2ccc3ccccc3c2)n1 462041476 WVYGLSDMTQGVES-UHFFFAOYSA-N 315.376 4.534 30 20 DJED N#C[C@H]1CCC[C@@H](NCC2(Sc3ccccc3)CCCC2)C1 463290527 KGGVUOJSPNEKDU-DLBZAZTESA-N 314.498 4.763 30 20 DJED N#C[C@H]1CCC[C@H](N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 467445169 YKZLSIWPVILFIM-MXAVVETBSA-N 323.267 4.911 30 20 DJED Cc1cccc(OC(F)F)c1NCc1ccc(Cl)cc1C#N 478357271 AVLWBKYJANMJRO-UHFFFAOYSA-N 322.742 4.734 30 20 DJED C[C@H](NCCCCc1ccc(F)c(F)c1)c1cccc(C#N)c1 480699800 PIXYOXZKPUMUHU-AWEZNQCLSA-N 314.379 4.510 30 20 DJED CCN(C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1)[C@@H](C)c1ccc(C#N)cc1 502727107 PEYUAJWYXRYXFR-CYJAXWMASA-N 312.457 4.540 30 20 DJED C=C(C)CCc1noc(CSCc2cccc(Cl)c2)n1 508631701 LYDNZBJKIQJJDH-UHFFFAOYSA-N 308.834 4.665 30 20 DJED CC(C)[C@H]1CN(C(=O)c2ccc(C#N)c(Cl)c2)c2ccccc21 518642978 QQZZEZBXJLAVGV-MRXNPFEDSA-N 324.811 4.612 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1c(F)cccc1Cl 541585846 PQFOTMXCIHLXPR-UHFFFAOYSA-N 318.779 4.699 30 20 DJED N#Cc1ccc(Oc2ncnc3ccsc23)c2ccccc12 549296606 HJHNKZUANUSQRB-UHFFFAOYSA-N 303.346 4.508 30 20 DJED N#Cc1cc(C(=O)Nc2cc(C(F)F)ccc2Cl)ccc1F 556447945 QGZJVJZKNRGKHD-UHFFFAOYSA-N 324.689 4.541 30 20 DJED CC(C)(C)C[C@H](NC[C@H](C#N)CCC#N)c1ccc(Cl)cc1 564856904 ZMZNRVUGIKBZIC-YOEHRIQHSA-N 317.864 4.850 30 20 DJED C=C[C@H]1CCCCN1C(=O)c1sc(C2CCCCC2)nc1C 582462302 RMZZOQGJRJRVTO-HNNXBMFYSA-N 318.486 4.680 30 20 DJED CC(C)(C#N)c1ccc(C(=O)N2CC[C@H](C3CCCCC3)C2)cc1 598152083 DBHGBOYGGCNIBB-SFHVURJKSA-N 324.468 4.530 30 20 DJED C=C(C)COc1cccc(NCc2cnc(C(C)C)s2)c1 676322586 GBNFJGSSHUMZFQ-UHFFFAOYSA-N 302.443 4.834 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccc(Oc3cccnc3)c(C)c2)o1 732714298 PLXZAUNBCJEJSI-SOFGYWHQSA-N 319.360 4.980 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(SC(F)F)cc2)cc1 734980386 KBJULEZXFIUASA-NYYWCZLTSA-N 320.360 4.906 30 20 DJED Cc1ccc([C@@H]2CCCC2=NNc2cnnc3ccccc23)cc1 741842547 LHIPLCMTXOOTPX-INIZCTEOSA-N 316.408 4.674 30 20 DJED CC/C(=C\C(=O)Nc1ccccc1C#N)c1cccc(Cl)c1 745977188 QHRXCNAIMZQHGN-ACCUITESSA-N 310.784 4.644 30 20 DJED CC(C)CC(CC(C)C)=NNc1oc(C(C)(C)C)nc1C#N 746498331 WLRZUUVVHUZYJT-UHFFFAOYSA-N 304.438 4.704 30 20 DJED Cc1ncccc1/C=C/C(=O)c1cc(Cl)ccc1OC(F)F 748440587 OGKKKXLDAPPWJI-GQCTYLIASA-N 323.726 4.541 30 20 DJED CCCCCCCC(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 751204426 ZACQRLKRUMWCJM-HZPDHXFCSA-N 323.502 4.523 30 20 DJED CC(C)c1nc(C(=O)/C=C\c2nc(-c3ccccc3)cs2)co1 752884313 FOQQDTRGPIFVLB-HJWRWDBZSA-N 324.405 4.818 30 20 DJED CC(=NOc1ccccc1C(F)(F)F)c1nc(C)sc1C 754710941 ZVRRNMLMBRGMMK-UHFFFAOYSA-N 314.332 4.582 30 20 DJED CC(=NNc1cnnc2ccccc12)c1cc2ccc(C)cc2o1 754942670 DGTSJHYLDIIYFG-UHFFFAOYSA-N 316.364 4.521 30 20 DJED COc1cc(/C=C2\CCCC(C)(C)C2=O)c(SC)cc1OC 757534970 PGLRDURGQGHVNE-FMIVXFBMSA-N 320.454 4.588 30 20 DJED Cc1cncc(C(=O)/C=C\c2ccc(F)c(Cl)c2Cl)c1 761485554 GSEAVIYINBZFFY-HYXAFXHYSA-N 310.155 4.732 30 20 DJED CC(C)COc1ccc(/C=C\C(=O)c2ccc(C#N)s2)cc1 762443553 QESUAUHFCRDNSE-UITAMQMPSA-N 311.406 4.551 30 20 DJED C[C@H](NCCCCCc1ccccc1)c1ccc(OCC#N)cc1 776156416 MIRJAKAMFXBIDC-SFHVURJKSA-N 322.452 4.653 30 20 DJED C[C@@H](Nc1cccc(CC(F)(F)F)c1)c1ccc(C#N)c(F)c1 777697907 XYCOBLYNXOWRJZ-LLVKDONJSA-N 322.305 4.975 30 20 DJED CCCOc1ccc(C(=O)/C=C/c2scnc2C2CC2)cc1 782304552 CMYWULFPXJSMRH-MDZDMXLPSA-N 313.422 4.705 30 20 DJED Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc3cnccc3c1)CO2 782329413 MOZUWLYQOZFWMD-ZDLGFXPLSA-N 315.372 4.510 30 20 DJED C=CCN(C(=O)Nc1cccnc1-c1csc(C)c1)C(C)C 782893328 GXRLFVVXBLNNHK-UHFFFAOYSA-N 315.442 4.547 30 20 DJED C#CCCCCCC(=O)N[C@@H](C)c1ccc(F)c2ccccc12 807738764 DVMRBLWCUJOVQF-HNNXBMFYSA-N 311.400 4.740 30 20 DJED COc1ccc(NN=C(C)c2nc(-c3ccccc3)cs2)cc1 814885076 LKKMBGKSYVRWRX-UHFFFAOYSA-N 323.421 4.655 30 20 DJED CCc1ccc(C(=O)/C=C\c2ncc(CSC)s2)s1 834412327 AQAQQIDOEVZMBB-ALCCZGGFSA-N 309.481 4.526 30 20 DJED C/C(=C(\F)C(=O)Nc1ccccc1S[C@@H](C)CC#N)C1CC1 900637667 RCFUVFRHUCQNEB-NRMVZKHRSA-N 318.417 4.673 30 20 DJED CC(=NNCc1ccc(F)c(F)c1)c1oc2ccccc2c1C 915974124 DJRCYRHQHGLSDT-UHFFFAOYSA-N 314.335 4.533 30 20 DJED COc1cccc(/C=C\C(=O)c2cccc(F)c2)c1OC(C)C 916134210 GKQPFGBLXSRWKJ-KHPPLWFESA-N 314.356 4.518 30 20 DJED C[C@@H](/N=C\c1c(O)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 917557126 YLONENUACHQIHQ-UAAGNOOKSA-N 320.348 4.634 30 20 DJED CCCCCCCCCN(C)C(=O)c1c(C)noc1C(C)C 918397583 GPAUYPDZAGRBET-UHFFFAOYSA-N 308.466 4.929 30 20 DJED N#CC1(CC(=O)N[C@H](c2ccccc2)C2CCC2)CCCCC1 1125986541 ZQXJUBYBMFYUAP-LJQANCHMSA-N 310.441 4.508 30 20 DJED CCC(CC)(C(=O)O[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 1126637151 FDQGCRVQTXRAFZ-INIZCTEOSA-N 321.420 4.920 30 20 DJED C[C@@H]1CCN(c2c(C#N)cnc3c(Cl)cccc23)CC1(C)C 1163019103 JTHAYPYWJJVBKE-GFCCVEGCSA-N 313.832 4.632 30 20 DJED N#Cc1cnnc(Nc2cccc(CSC3CCCCC3)c2)c1 1185394791 OPKASZBNIXJYAD-UHFFFAOYSA-N 324.453 4.658 30 20 DJED CCCC[C@@H](CCC)NC(=O)N[C@H](CCC#N)c1ccccc1 1229665029 WCLLGWWGAAVDBR-QZTJIDSGSA-N 315.461 4.690 30 20 DJED N#Cc1sc(N2CCC[C@H]2c2cccc(Cl)c2)nc1Cl 1324270549 BUPRJDDIVCXVBZ-NSHDSACASA-N 324.236 4.663 30 20 DJED N#CCCCCCC(=O)Nc1ccc(SC(F)(F)F)cc1 1327114798 JDGFHCSGWBZSLI-UHFFFAOYSA-N 316.348 4.711 30 20 DJED N#Cc1ccc(OCc2cc(Cl)sc2Cl)cc1F 1458951547 VKLJKOFRQMGBMX-UHFFFAOYSA-N 302.157 4.645 30 20 DJED C[C@H]1CC[C@H](CC(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1524040874 VMYVJZALBGPWJQ-RYUDHWBXSA-N 304.459 4.682 30 20 DJED CCCc1cc(C(=O)Nc2ccc(Cl)cc2C#N)sc1C 1528631378 BRWXJYMHWKOLMH-UHFFFAOYSA-N 318.829 4.786 30 20 DJED C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3csc(C#N)c3)c21 1538362592 HRXHKYAMAWFPML-LLVKDONJSA-N 310.422 4.657 30 20 DJED CCCCN(Cc1ccc(C#N)c(C)c1)Cc1ccccc1F 1560659246 BZOSMBPOZJDEAJ-UHFFFAOYSA-N 310.416 4.808 30 20 DJED Cc1cc(C#N)cc(NC(=O)NCC2(CC(C)C)CCCC2)c1 1672285161 GRYSZXJWYXSJLH-UHFFFAOYSA-N 313.445 4.595 30 20 DJED CC1(C)CCC/C(=C/c2csc3ccc(C(=O)O)cc23)C1=O 1776548653 VFBUYHOKNNEDLO-FLIBITNWSA-N 314.406 4.762 30 20 DJED C/C(=N\c1ccc(Br)cc1)c1cc(Cl)ccc1O 16667458 IAWIRAZWEUUJME-RQZCQDPDSA-N 324.605 4.949 30 20 DJED C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1cccc(C#N)c1 43329657 HEIGFEKDJCIAEI-CYBMUJFWSA-N 319.364 4.529 30 20 DJED N#Cc1ccc(CN[C@H](c2ccccc2)c2ccc(F)cc2)cc1 48367595 OKGRTMVMEUQWAP-OAQYLSRUSA-N 316.379 4.577 30 20 DJED C=CCCC(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1 60365020 FRFJIAHVHZEHAB-UHFFFAOYSA-N 300.427 4.838 30 20 DJED CC[C@@H](Nc1snc(Cl)c1C#N)c1cc(F)ccc1F 77232881 AKNUQXRPBXFKRO-LLVKDONJSA-N 313.760 4.510 30 20 DJED CC(C)(C#N)CCCNc1ccc(Br)cc1Cl 87597270 HFBCAPLYMZWCPV-UHFFFAOYSA-N 315.642 4.844 30 20 DJED Cc1ccc(C(=O)/C=C\c2csc(-c3ccccn3)n2)cc1C 97147185 RCZZVKNSPQSECL-HJWRWDBZSA-N 320.417 4.718 30 20 DJED CCC(C)(C)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 110402122 SZICNULJTNFHBN-UHFFFAOYSA-N 322.408 4.512 30 20 DJED CN(C(=O)c1ccc2ccccc2c1)c1cc(Cl)ccc1C#N 176430065 PIHYXFKLKADQCF-UHFFFAOYSA-N 320.779 4.641 30 20 DJED C=CCCC[C@@H](C)N[C@H](C)c1sc(-c2cccnc2)nc1C 182183261 BOYQVVMCAFTKRU-ZIAGYGMSSA-N 315.486 4.909 30 20 DJED C[C@@H](NCc1ccc(C(C)(F)F)cc1)c1ccc(C#N)c(F)c1 293784224 TWSLMUOAPDFNTH-GFCCVEGCSA-N 318.342 4.660 30 20 DJED CCN(c1ncccc1C#N)[C@H](C)c1cccc(C(F)(F)F)c1 301300991 XQBVZRSJUDQKBD-GFCCVEGCSA-N 319.330 4.560 30 20 DJED C[C@H]1CCC[C@@H](COc2ccc(Br)cc2C#N)C1 302458736 YGHYBOWTFLOSFW-NWDGAFQWSA-N 308.219 4.526 30 20 DJED N#Cc1cccc(C#N)c1Sc1nc(-c2ccccc2)cs1 302865520 YBDAYRSYCMJJPG-UHFFFAOYSA-N 319.414 4.705 30 20 DJED N=C(O)c1ccc(N=C(O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c(F)c1 328745333 ACKPFTFDGAZAHA-MBNYWOFBSA-N 318.392 4.904 30 20 DJED Cc1cc(C/C(O)=N/[C@@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)n[nH]1 329188500 BPRMHPLLGUORAJ-SUMWQHHRSA-N 323.440 4.517 30 20 DJED CC(C)c1[nH]ccc1/C(O)=N/[C@H](C)c1nc(C(C)(C)C)cs1 330604038 IHYLPUXDPDYOSF-LLVKDONJSA-N 319.474 4.958 30 20 DJED Nc1c(Cl)ccc(/C(O)=N/CCC2=CCCCC2)c1Cl 330962759 QJEXUQAUJUPFSL-UHFFFAOYSA-N 313.228 4.771 30 20 DJED CC[C@H](C)n1ncc(N=C(O)NC(C)(C)CC(C)(C)C)c1C 331117724 LCZZUWVGXYHDCA-LBPRGKRZSA-N 308.470 4.512 30 20 DJED CC[C@H](C)Oc1cccc(N[C@H](C)c2ccc(OCC#N)cc2)c1 391964396 DTWPVJNEQQESIP-JKSUJKDBSA-N 324.424 4.939 30 20 DJED Cc1cc(NCc2cccc(F)c2C#N)ccc1-c1ccncc1 427398286 KHLOWWLOSAJLOO-UHFFFAOYSA-N 317.367 4.680 30 20 DJED N#C[C@H]1CC[C@@H](Sc2nc(-c3ccco3)nc3ccccc23)C1 430118619 DMURSAKWWUKQPB-QWHCGFSZSA-N 321.405 4.674 30 20 DJED CC(C)(C#N)c1ccccc1CNc1c(F)cccc1Cl 434752520 NGXISMMHQUZKAE-UHFFFAOYSA-N 302.780 4.892 30 20 DJED C=CCC[C@@H](NC(=O)N(C)[C@H](C)C1(C)CC1)c1ccccc1 435765086 UPVFKTRXNMDTGR-NVXWUHKLSA-N 300.446 4.524 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(-c2ccccc2)o1 436291929 QZWOHKZNHRPUGY-MDYRTPRTSA-N 311.425 4.578 30 20 DJED C=CCC1(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CCC1 437270954 AMLSNOQEKCQEFO-SWLSCSKDSA-N 324.251 4.712 30 20 DJED C=CCOc1cccc(NC(=O)N2CCC[C@](C)(CCC)C2)c1 437846452 LGFKGDPNXJRDML-IBGZPJMESA-N 316.445 4.686 30 20 DJED N#CC1CCC(CN[C@H]2CCc3c(Cl)cc(Cl)cc32)CC1 442101065 HONIGLTVTDOIMD-MFGLSYLJSA-N 323.267 4.900 30 20 DJED CC(C)c1cnc(-c2ccc(N[C@H]3CCC[C@H](C#N)C3)cc2)o1 463277754 DUSOQUFVDUMVNI-YOEHRIQHSA-N 309.413 4.959 30 20 DJED C=CCN(CCc1ccco1)C(=O)c1coc2cc(C)c(C)cc12 472366011 HJMJQSXSPRAPNE-UHFFFAOYSA-N 323.392 4.514 30 20 DJED C=CCCCC(=O)N[C@@H](c1ccccc1)c1ccc(OCC)cc1 479544236 RDVZFLHKFOWVRS-NRFANRHFSA-N 323.436 4.647 30 20 DJED CCC(=O)c1ccc(OCc2ccccc2C(C)(C)C#N)cc1 486922725 FNWGFBSWNCGNGS-UHFFFAOYSA-N 307.393 4.659 30 20 DJED C=CC[C@H](C(=O)Nc1sc(C)c(CC)c1C#N)c1ccccc1 488339605 OEGICSYPZOQHNE-INIZCTEOSA-N 324.449 4.789 30 20 DJED N#Cc1ccc(CSCCCCC2CCOCC2)c(F)c1 512392303 UCSFJDOYNACRRX-UHFFFAOYSA-N 307.434 4.527 30 20 DJED C=CCN(C(=O)C[C@H](CC)C(C)C)c1nc2c(s1)CCCC2 517921391 KODDCZWUYGIJKC-AWEZNQCLSA-N 320.502 4.613 30 20 DJED C=CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(SC(C)C)cc1 523940939 HCACICRTRUBYBN-ZIAGYGMSSA-N 306.475 4.512 30 20 DJED C=C[C@H](CC(=O)Nc1cnc2ccccc2c1)c1ccccc1 536088575 XOLBRXSRTBYZJC-OAHLLOKOSA-N 302.377 4.533 30 20 DJED CC(C)c1ccc([C@H]2CCCN2C(=O)c2cc(C#N)cs2)cc1 536292822 ACVZBINITXKXKH-QGZVFWFLSA-N 324.449 4.720 30 20 DJED CC(C)(C#N)CCN(Cc1cccs1)Cc1cccs1 537386514 WAGBTFZBMJTTQB-UHFFFAOYSA-N 304.484 4.752 30 20 DJED C=CCCCN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 543051482 SNXJFQCBSOSCON-GOSISDBHSA-N 300.833 4.575 30 20 DJED Cc1cccc(C)c1[C@@H](C)NCc1cccc(OCCCC#N)c1 545465130 MXTZKLGREDTNKV-GOSISDBHSA-N 322.452 4.837 30 20 DJED C=CCC[C@@H](CC)N[C@@H](c1cncc(Br)c1)C1CC1 570871792 NIAGEWPJMXCYEW-HZPDHXFCSA-N 323.278 4.630 30 20 DJED C=CCOc1cccc(NC(=O)c2ccc(C(C)C)nc2CC)c1 577710237 HVOTZFKGRKGLJS-UHFFFAOYSA-N 324.424 4.585 30 20 DJED CCC[C@@H](C(=O)NCC(C)(C)CCC#N)c1cccc(Cl)c1 599940880 DESLDXNRIOSKOB-MRXNPFEDSA-N 320.864 4.670 30 20 DJED C=CCCCCCN(C)Cc1nc(-c2cccc(Cl)c2)no1 606902294 YWQWCGRXGHUYJX-UHFFFAOYSA-N 319.836 4.568 30 20 DJED N#C[C@@H](Nc1ccc(F)c(C(F)(F)F)c1)C1CCCCC1 609676981 JKPNQWFITJIDTA-CQSZACIVSA-N 300.299 4.729 30 20 DJED C=C(C)CN(C)C(=O)Nc1cccc(Sc2ccccc2)c1 679235523 UIWUOWKDZUQOPJ-UHFFFAOYSA-N 312.438 4.878 30 20 DJED CC(C)c1ccc2c(c1)C(=O)/C(=C\c1cccnc1Cl)CO2 728697005 HNLXPDRHZVWVMK-ZSOIEALJSA-N 313.784 4.517 30 20 DJED C=C(Cl)CNC(=O)Nc1ccccc1SC1CCCC1 736955084 DTGQPAOCURVXAV-UHFFFAOYSA-N 310.850 4.595 30 20 DJED Cc1ccc(SCCC(=O)OCCCCC(C)(C)C#N)cc1 768361532 MJGWBMRQMKLNLB-UHFFFAOYSA-N 319.470 4.741 30 20 DJED CCCC(=CC(=O)N(CC)[C@H](C)c1ccc(C#N)cc1)CCC 770689762 VNQVDUGPFJWIRC-MRXNPFEDSA-N 312.457 4.994 30 20 DJED C#CCCCCCC(=O)N[C@H](C)c1ccc(SCC)cc1 779903063 CSHNEEXOGJBNGR-OAHLLOKOSA-N 303.471 4.560 30 20 DJED Cc1ccsc1/C=C/C(=O)c1ccc([N+](=O)[O-])cc1Cl 782189560 RQLIFFRAJVYVBQ-SNAWJCMRSA-N 307.758 4.514 30 20 DJED CCCC(=NNc1ccc(C(F)(F)F)cn1)c1ccsc1 785450382 ZSOVMMMQEXTUBV-UHFFFAOYSA-N 313.348 4.778 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1cccc(SC(F)F)c1 785777345 RKXUOKLZYPDFHP-LBPRGKRZSA-N 312.385 4.574 30 20 DJED O=C(/C=C\c1ccc(Cl)c(C(F)(F)F)c1)c1cncs1 787167763 DSSPJRYCRMFOGZ-RQOWECAXSA-N 317.719 4.711 30 20 DJED Cc1c(C(=O)O[C@H](C)c2ccco2)sc2ccc(C#N)cc12 797014184 INRIEHXSIRCRFJ-LLVKDONJSA-N 311.362 4.592 30 20 DJED CC(C)(C)c1cnc([C@H](C#N)C(=O)CC2CCCCCC2)s1 797566977 WPXJAJCNXCWCFZ-CQSZACIVSA-N 318.486 4.977 30 20 DJED CC1(C)C[C@@H](Nc2nc(Cl)c(C#N)s2)c2ccccc21 804562137 VYEBZZDVPCISIU-LLVKDONJSA-N 303.818 4.503 30 20 DJED Cc1ccc(-c2cccc(/C=C\C(=O)c3ccnc(O)c3)c2)cc1 806556739 YYEORVJHNXWILX-YFHOEESVSA-N 315.372 4.659 30 20 DJED C#C[C@@H](NCc1cscc1Cl)c1ccc(Cl)cc1F 809698888 IORQMVZVUZWZRH-CQSZACIVSA-N 314.212 4.658 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C[C@H]1CC1(Cl)Cl 838510951 VBFZPIODRXDORG-SECBINFHSA-N 310.677 4.583 30 20 DJED C[C@@H](C#N)Oc1ccccc1NC1CC(C)(c2ccccc2)C1 839005627 NIOJJJJHKBJDCH-FVWXCPNNSA-N 306.409 4.510 30 20 DJED Cc1nnc(N[C@@H](c2ccccc2)C2CCCCC2)c(C#N)c1C 917067351 BMBLPAZDQBEYCN-IBGZPJMESA-N 320.440 4.699 30 20 DJED Cc1sc(NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)c(C#N)c1C 1124143237 VLKYLXPCHANRCA-BTDLBPIBSA-N 304.459 4.638 30 20 DJED CCCC[C@H](CCC)CNC(=O)c1ccc(Cl)c(C#N)c1 1127050819 WKMZLKNGRYKKFW-ZDUSSCGKSA-N 306.837 4.548 30 20 DJED COc1cccc2c(CN[C@@H](C)c3ccc(C#N)cc3)cccc12 1177525240 QJWNYBKZSVSFQP-HNNXBMFYSA-N 316.404 4.571 30 20 DJED C[C@H](CCC#N)CNc1cc(Cl)ccc1OCC1CCC1 1308696807 QMGHOGNHALROCI-CYBMUJFWSA-N 306.837 4.871 30 20 DJED N#CC1(CCCCN(Cc2cccnc2)Cc2ccco2)CCC1 1332697744 LJZVGYWWZNBZIY-UHFFFAOYSA-N 323.440 4.541 30 20 DJED CC(C)(C)c1ccc(NN=C2CC[C@H]3CCCC[C@@H]3C2)nn1 1339230551 LGVCQXMQCHSFNZ-ZIAGYGMSSA-N 300.450 4.532 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)CCCC1CCCCC1 1461076603 BDCXHFJIPAAUMO-MRXNPFEDSA-N 312.457 4.828 30 20 DJED CCS[C@H]1CCC[C@H](Nc2nc(C(C)(C)C)ccc2C#N)C1 1472716230 GYVXPFVAENLJKN-GJZGRUSLSA-N 317.502 4.727 30 20 DJED N#Cc1c(F)cccc1N1CCc2cc(Cl)cc(Cl)c2C1 1472722063 WVGFPKBGKUVDCG-UHFFFAOYSA-N 321.182 4.567 30 20 DJED N#CC1(CNCc2cccc(-c3ccc(Cl)cc3)c2)CCC1 1474296102 ZJAZVSBERWFOCE-UHFFFAOYSA-N 310.828 4.790 30 20 DJED CCc1c(C)sc(NC(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)c1C#N 1527988555 SMAQMMAVUOHWSK-GMXVVIOVSA-N 304.459 4.501 30 20 DJED N#CCc1ccc(CN2CCC[C@H]2c2ccccc2Cl)cc1 1559489367 ONVQXCMOCDEAIL-IBGZPJMESA-N 310.828 4.743 30 20 DJED Cc1cc(C)c(C#N)c(SCCc2ccc(Cl)cc2)n1 1640618987 RVKBCGSDSZNYLM-UHFFFAOYSA-N 302.830 4.558 30 20 DJED N#Cc1ccnc(SCc2cc(Cl)sc2Cl)c1 1640854635 SPEOCFFTKXZEGF-UHFFFAOYSA-N 301.223 4.614 30 20 DJED N#CCc1ccc(CN2CCC[C@H](c3ccccc3)CC2)cc1 1644516950 YGBUUWZQSFSFKU-NRFANRHFSA-N 304.437 4.522 30 20 DJED CC(C)(CNc1ncc(C#N)cc1Cl)c1ccc(Cl)cc1 1650661120 JBJUXNZDNQWBPI-UHFFFAOYSA-N 320.223 4.650 30 20 DJED Cc1ccc(C(=O)[C@H](C)Sc2cccc(F)c2C#N)cc1C 1656588641 BURPXAPRPRKFSU-ZDUSSCGKSA-N 313.397 4.678 30 20 DJED CC[C@@H](NCc1ccc(F)c(C#N)c1)C(C)(C)c1ccccc1 1657957548 VHZZQSQJDMUTNQ-LJQANCHMSA-N 310.416 4.543 30 20 DJED Cc1cc(C#N)cc(NC(=O)N(C)[C@H](C)c2ccc(C)cc2C)c1 1672776234 YFRCVKMJIPWGDX-MRXNPFEDSA-N 321.424 4.708 30 20 DJED O=C(O)c1ccc(F)c(/C=C\C(=O)c2ccc3ccccc3c2)c1 1776131357 PFCUFRJDMSPGEV-NTMALXAHSA-N 320.319 4.573 30 20 DJED C=C(C)COc1cccc(NC(=O)c2ccccc2Cl)c1 9823759 OEWXGHKOQLWJGO-UHFFFAOYSA-N 301.773 4.547 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCc1cccnc1Cl 81157903 AGJWNAQASBDFTK-GFCCVEGCSA-N 317.845 4.741 30 20 DJED CC(C)c1ncc(CNc2cccc(OCCCC#N)c2)s1 131389213 ZMYWFXSEWHGOTC-UHFFFAOYSA-N 315.442 4.561 30 20 DJED O=C(/C=C/c1cccnc1)c1ccc(SCC(F)(F)F)cc1 132731269 LMKKJFPFWOOZHC-FPYGCLRLSA-N 323.339 4.632 30 20 DJED CCN(Cc1ccccc1C(C)(C)C#N)[C@@H](C)c1cccc(O)c1 135242958 VLLSFIUCIDIHHP-INIZCTEOSA-N 322.452 4.776 30 20 DJED C[C@@H](c1ccccc1Br)N(C)CCCC(C)(C)C#N 174835365 CEWBCSYCUVUYRF-ZDUSSCGKSA-N 323.278 4.772 30 20 DJED CCCCCC(C)(C)C(=O)Nc1ccccc1O[C@@H](C)C#N 182126313 YOLHUWKLJAXWIZ-AWEZNQCLSA-N 302.418 4.522 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccc(-c3ccc(F)cc3)o2)cc1 208016184 JDODSYGMSNQRGI-LUAWRHEFSA-N 317.319 4.853 30 20 DJED N#Cc1ccc2nc(N[C@H]3CCCc4sccc43)ccc2c1 302228976 XSJGAEBXBXJNNM-INIZCTEOSA-N 305.406 4.657 30 20 DJED OC1=N[C@H](C/C(O)=N/[C@H](c2ccc(Cl)cc2)C2CC2)CCC1 329483711 WPGWICYAAHKZIQ-YOEHRIQHSA-N 320.820 4.647 30 20 DJED N#CCC[C@@H](NCc1cccc(Cl)c1F)c1ccccc1 344827746 ANLNERWSXGHLOT-MRXNPFEDSA-N 302.780 4.614 30 20 DJED CCCCCCCCCC(=O)N1CCCC[C@H]1c1noc(C)n1 370963693 WUQYSIUFPWEVTQ-INIZCTEOSA-N 321.465 4.572 30 20 DJED C=CCC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccco1 417355755 BKGMGZUKDAKVAI-RBUKOAKNSA-N 306.409 4.826 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(Cl)c(Cl)c1 435666618 ABTSGEFLDOOEPW-KFNAQCHYSA-N 314.256 4.625 30 20 DJED CC[C@@H](Nc1cccc2c1OCC[C@@H]2OC)c1ccc(C#N)cc1 448029109 PVONHQTZVKXBGZ-MJGOQNOKSA-N 322.408 4.591 30 20 DJED CCSc1ccccc1[C@H](C)NCc1ccc(C#N)c(F)c1 453391979 TWHSUTALBGUDAK-ZDUSSCGKSA-N 314.429 4.660 30 20 DJED C[C@@H](C(=O)NC1CCC2(CCCCC2)CC1)c1cccc(C#N)c1 462325258 NADQXPZYGOSBMJ-MRXNPFEDSA-N 324.468 4.671 30 20 DJED C=CCOCCCC(=O)Nc1ccccc1SC1CCCC1 463096272 CDEBQUHKLJQAPZ-UHFFFAOYSA-N 319.470 4.643 30 20 DJED N#C[C@H]1CCC[C@H](NCCc2cccc(-c3ccccc3)c2)C1 463240031 HPEXBXSSDXQMMU-RXVVDRJESA-N 304.437 4.568 30 20 DJED CC#CCCCC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 464656596 YQMRDDQEZXHUDF-LJQANCHMSA-N 311.469 4.841 30 20 DJED CC1CCC(CC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 464941338 NGRCWVMVZDUSLR-WXDAQCLHSA-N 324.468 4.501 30 20 DJED C=C(CN[C@@H]1CCC[C@@H](c2ncccc2C)C1)c1ccccc1 467338475 ZSBNOHHAFWOMKV-WOJBJXKFSA-N 306.453 4.719 30 20 DJED CCOc1ccc(C#N)cc1NCc1cccc(C(F)F)c1 480131784 DMOJFWPZJZOUSW-UHFFFAOYSA-N 302.324 4.507 30 20 DJED C[C@@H](c1ccc(F)c(Cl)c1)N(C)Cc1ccc(C#N)cc1 497585765 SMAPBDSFJNHNRQ-LBPRGKRZSA-N 302.780 4.544 30 20 DJED C=CCOc1ccccc1CN[C@@H]1CCc2cc(Cl)ccc21 506234380 PUMHIDAHXOWBFL-GOSISDBHSA-N 313.828 4.682 30 20 DJED C=CCCc1ccccc1NC(=O)c1cc(Cl)cc(OC)c1 512780303 ZKAGIFXOIUTFOZ-UHFFFAOYSA-N 315.800 4.720 30 20 DJED C=CCn1c(S[C@H]2C=CCCC2)nnc1-c1cccc(C)c1 517476372 QFLMFWXHYNYEHN-INIZCTEOSA-N 311.454 4.640 30 20 DJED Cc1cccc([C@H]2CCCN2Cc2cc(C#N)ccc2F)c1C 525634657 ISMASFNZRUKIQF-HXUWFJFHSA-N 308.400 4.651 30 20 DJED N#Cc1ccc(CNc2nc3ccccc3n2C2CCCC2)s1 537506084 FZPSMNCNBVSBPO-UHFFFAOYSA-N 322.437 4.697 30 20 DJED CC[C@@](C)(C#N)c1nc(C(C)(C)c2cccc3ccccc23)no1 556354180 XETWIURALZLFGY-FQEVSTJZSA-N 319.408 4.740 30 20 DJED C=CCC[C@H](NCCc1nc(C(C)(C)C)cs1)c1ccco1 560530586 RYMBCCMDMOXPBV-AWEZNQCLSA-N 318.486 4.873 30 20 DJED Cc1nc(-c2ccccc2)sc1[C@@H](C)Nc1cc(C#N)ccn1 575771682 RSXFACFAVVUZAL-GFCCVEGCSA-N 320.421 4.558 30 20 DJED C[C@H](N[C@@H](C#N)c1ccccc1)c1ccc(OCC2CC2)c(F)c1 595422404 XJUSVEQLCQIVIX-LIRRHRJNSA-N 324.399 4.530 30 20 DJED C=CCCCSc1nc2sc(C)c(C)c2c(=O)n1C(C)C 605076360 ZXXOFQUXKPYRJW-UHFFFAOYSA-N 322.499 4.714 30 20 DJED N#C[C@@H]1CCC[C@@H](Nc2ccc(C(F)(F)C(F)(F)F)cc2)C1 618578793 ZUDBBEUCEJQAGN-ZWNOBZJWSA-N 318.289 4.835 30 20 DJED C=CCN(C(=O)CCc1ccc([C@H]2C[C@H]2C)o1)c1ccccc1 641897364 QRFRZVNTOCUNRD-QAPCUYQASA-N 309.409 4.555 30 20 DJED C=C(C)[C@@H](NCc1cccc(O)c1Cl)c1ccc(F)c(F)c1 645171800 QWKVYFNMEYQQEU-QGZVFWFLSA-N 323.770 4.731 30 20 DJED N#Cc1ccc(CSc2nc3cnccc3s2)c(Cl)c1 702998599 XOYWOJRDTJEQBU-UHFFFAOYSA-N 317.826 4.509 30 20 DJED Clc1ccccc1-c1ccc(C=Nn2cnc3ccccc32)o1 725849804 SPAUDXAEEUTQQV-UHFFFAOYSA-N 321.767 4.832 30 20 DJED COc1ccccc1-c1ccc(C=NNc2ccccc2)cc1 741451386 OAFVCDPWFWQOTH-UHFFFAOYSA-N 302.377 4.808 30 20 DJED CC(C)c1ccccc1N=C1NN=C(C2CCCC2)CS1 743277677 RWTBFOWFRQICAI-UHFFFAOYSA-N 301.459 4.680 30 20 DJED CC(C)=CCCC(C)=NN1C(=O)c2cccc3cccc(c23)C1=O 749156747 NDSZSPLLSHPUOY-UHFFFAOYSA-N 320.392 4.558 30 20 DJED C=C(Br)CN[C@H](Cc1ccccc1)c1cccs1 754366563 JCLNOYKSADIVCC-CQSZACIVSA-N 322.271 4.530 30 20 DJED C=C(Cl)COc1ccc([C@H](C)NCc2ccccc2F)cc1 764562965 HWQFQZLFQOLWFL-AWEZNQCLSA-N 319.807 4.808 30 20 DJED C#CCCCCC(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1 773250660 BWHKPKKWTREZBJ-UHFFFAOYSA-N 312.438 4.559 30 20 DJED CC[C@H](C)[C@H](C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 779836333 CUCMGUAMGYMNAV-FTRWYGJKSA-N 320.436 4.963 30 20 DJED CC(C)(C#N)CCCOC(=O)C1(c2cccs2)CCCCC1 783742798 HFOPXVIJRXNQHU-UHFFFAOYSA-N 319.470 4.823 30 20 DJED C[C@@H](Sc1nnc(-c2ccccc2)s1)c1cccc(C#N)c1 785453991 LYUZVNQQXDJXOO-GFCCVEGCSA-N 323.446 4.930 30 20 DJED Cc1cccc2nc([C@H](C#N)C(=O)CCCCC(C)(C)C)[nH]c12 805884071 LFEZICDJYJBYDZ-CQSZACIVSA-N 311.429 4.654 30 20 DJED C#CCC1(C(=O)Nc2ccccc2C(C)(F)F)CCCCC1 839408809 MVXQLGSAMDBWIF-UHFFFAOYSA-N 305.368 4.711 30 20 DJED CC[C@H](N[C@H]1CCSc2ccccc21)c1cccc(C#N)c1 902747235 RRGWTBNVXAKVLF-ROUUACIJSA-N 308.450 4.836 30 20 DJED C=CC[C@@H](c1ccccc1)c1nc(Cc2ccccc2C)no1 904647358 PIBWTEYFGFNYLC-SFHVURJKSA-N 304.393 4.677 30 20 DJED CCCCCCCC(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 914509721 ZEJODPRLSKWGPH-MRXNPFEDSA-N 300.446 4.828 30 20 DJED CC(=NN[C@H](C)c1ccccc1)c1ccc(Br)s1 920385686 GBRXZVYQOYEAIS-SNVBAGLBSA-N 323.259 4.585 30 20 DJED COc1ccc(C)cc1N=Cc1cc(Cl)cc(Cl)c1O 920943071 ZLAZJCMFUMMJMG-UHFFFAOYSA-N 310.180 4.767 30 20 DJED Cc1ccc(C#N)cc1C(=O)O[C@@H]1C[C@@H](C(C)C)c2ccccc21 1128634535 XENPMFSYTZEDBQ-AZUAARDMSA-N 319.404 4.908 30 20 DJED N#Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 1131135004 UFNRPWZKWXCHAR-DAXOMENPSA-N 316.832 4.757 30 20 DJED N#Cc1c(F)cccc1N[C@@H]1CCCC[C@H]1Cc1ccccc1 1185254458 VLZPUIWHVGPYSS-QFBILLFUSA-N 308.400 4.911 30 20 DJED Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2ccc(C#N)c(C)c2)o1 1204346644 CCPFAPBGLBIOHX-KUHUBIRLSA-N 308.425 4.741 30 20 DJED CSc1ccc(Cl)cc1NC(=O)CC1(C#N)CCCCC1 1264804641 OXFWBAVLZBEIEA-UHFFFAOYSA-N 322.861 4.865 30 20 DJED Cc1ccc(C(=O)Nc2ccc(Cl)cc2C#N)c2ccccc12 1279076723 DAUKVNSDRWLYBD-UHFFFAOYSA-N 320.779 4.926 30 20 DJED CC(C)[C@@H](Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 1324101235 QRYSUVZTWPCORV-GOSISDBHSA-N 317.392 4.591 30 20 DJED N#Cc1ccc(CNC[C@H]2CCCC[C@@H]2c2ccccc2)cc1 1461510416 FSDGNGPFILPBTP-NHCUHLMSSA-N 304.437 4.622 30 20 DJED C[C@@H](CNc1nc(C(C)(C)C)ccc1C#N)c1ccc(F)cc1 1472678540 IQRJCRVHIYUORO-ZDUSSCGKSA-N 311.404 4.605 30 20 DJED CC(C)(C)c1csc(NC(=O)N2CCCCCCC2)c1C#N 1476647155 YPQBQXWYTODSSJ-UHFFFAOYSA-N 319.474 4.715 30 20 DJED CC[C@H](C)[C@@H](C(=O)O[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 1524300793 BBEMVNTXVHIYEM-TWOQFEAHSA-N 321.420 4.992 30 20 DJED CC(C)(C)C1CCC(CC(=O)N2CCc3c(C#N)cccc32)CC1 1529513158 SWBZPHHEJYFHJR-UHFFFAOYSA-N 324.468 4.690 30 20 DJED N#Cc1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)cc1 1530566155 SWPCMXCTPPIDLR-UHFFFAOYSA-N 304.393 4.858 30 20 DJED Cc1nc(N2CCC[C@@H]2/C=C\c2ccccc2)c(Cl)cc1C#N 1559292204 IBENBIBUFOKAMB-DOOKAGJSSA-N 323.827 4.597 30 20 DJED CCC[C@H](Nc1ncc(C#N)cc1Cl)c1ccc(F)cc1F 1612132234 RDZYPCDDFGJWDH-HNNXBMFYSA-N 321.758 4.838 30 20 DJED Cc1cc(CN2C[C@@H](c3ccccc3C)C[C@@H]2C)ccc1C#N 1621165735 JYXYTDHXXGRWFU-PXNSSMCTSA-N 304.437 4.553 30 20 DJED N#Cc1cccc(CN2CCCSc3ccc(Cl)cc32)c1 1653653927 XBCLZNRJXSCMAA-UHFFFAOYSA-N 314.841 4.714 30 20 DJED CC(C)(C)[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1C#N 1653759300 UISRORJEEGVAOT-IRXDYDNUSA-N 304.865 4.906 30 20 DJED C=C(CNC(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C)c1ccccc1 1682940898 LXTMYRBRADEIRL-ROUUACIJSA-N 314.473 4.604 30 20 DJED CC(C)(C)[C@H]1CCCC(=NNc2ccc(F)c(C(=O)O)c2)CC1 1776062361 QGHKQXAIFPAQBS-LBPRGKRZSA-N 320.408 4.918 30 20 DJED COc1cc(C(=O)/C=C/c2cccc(F)c2F)ccc1SC 78561441 OTILEXYVADMYBB-SOFGYWHQSA-N 320.360 4.591 30 20 DJED C=CCn1c(S[C@H](C)C(=O)c2ccccc2)nc2ccccc21 104524132 NKSWNHBNATXESP-CQSZACIVSA-N 322.433 4.586 30 20 DJED Cc1oc2ccccc2c1/C=C/C(=O)c1ccc(OCC#N)cc1 134370054 KWDYUDFKWPXQRY-ZHACJKMWSA-N 317.344 4.540 30 20 DJED CCC1(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)CCC1 176100372 YWOHRPIWDKOQEY-NSHDSACASA-N 318.829 4.706 30 20 DJED Cc1ccc(NC(=O)CS[C@H](C)c2cccc(C#N)c2)c(C)c1 190897986 OBNHVLRBSAMUSC-OAHLLOKOSA-N 324.449 4.608 30 20 DJED CC(=O)[C@@H](C)SCCC(C#N)(c1ccccc1)c1ccccc1 193068295 GUNVOEJFZPEYAH-QGZVFWFLSA-N 323.461 4.597 30 20 DJED C[C@@H](c1cccc(Cl)c1)N(C)c1snc(Cl)c1C#N 301496899 BMAYCUHCHHJNKQ-QMMMGPOBSA-N 312.225 4.519 30 20 DJED C=C(C)[C@@H](Nc1ncc(C#N)cc1Cl)c1ccc(F)c(F)c1 302332122 AARYFCAYYMPWNK-OAHLLOKOSA-N 319.742 4.614 30 20 DJED C[C@@H]1CCC[C@H](COc2ccc(Br)cc2C#N)C1 302458735 YGHYBOWTFLOSFW-NEPJUHHUSA-N 308.219 4.526 30 20 DJED CC1(C)CCC(C(O)=Nc2nc(C3CCOCC3)cs2)CC1 329211313 GZMFHXBKCPSHNK-UHFFFAOYSA-N 322.474 4.842 30 20 DJED C[C@@H]1CCC[C@H](/N=C(/O)C2CCC(/N=C(/O)C3CC3)CC2)CC1 330086559 MJCUDUBSHCNLHA-AKBUMOGYSA-N 320.477 4.837 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@@H](C)c1cccc(C#N)c1 336865182 UZDCCUYPLKKMJW-KSSFIOAISA-N 308.425 4.824 30 20 DJED CCC[C@H](C(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 430361997 VSLCVJJFEBPSIR-HNNXBMFYSA-N 312.800 4.734 30 20 DJED C=CCC(C)(C)C(=O)Nc1ccc(-c2csc(C)n2)cc1 431677013 BPAOYJMEHOBYQU-UHFFFAOYSA-N 300.427 4.659 30 20 DJED CCCN(C(=O)c1cc(C#N)oc1C)c1cccc2ccccc12 439117122 RKDWDCGFNGORKS-UHFFFAOYSA-N 318.376 4.670 30 20 DJED Cc1ccccc1CSc1ccc(C(F)(F)F)c(C#N)n1 443405621 BOEYPZXQDKJFBQ-UHFFFAOYSA-N 308.328 4.573 30 20 DJED C[C@H](NCc1ccc(F)cc1C#N)c1ccc(Cl)cc1Cl 447322275 CTVOXUZVAILFSM-JTQLQIEISA-N 323.198 4.855 30 20 DJED C=CCC(CC=C)C(=O)N[C@@H](CC)c1ccccc1OC(F)F 467819532 QPCUBLCJMMBFSB-HNNXBMFYSA-N 323.383 4.624 30 20 DJED CC(C)(CCC#N)CN1CCC[C@H](c2ccc(F)cc2)CC1 497124773 GDVPFAYYVKCMBQ-INIZCTEOSA-N 302.437 4.725 30 20 DJED CN(Cc1cccc(OCCCC#N)c1)C1CCCCCC1 506140991 NBEMENJSBXWJES-UHFFFAOYSA-N 300.446 4.524 30 20 DJED CCCN(Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1OC 508616708 VZZNDNMOKPDDBD-MRXNPFEDSA-N 308.425 4.540 30 20 DJED C=C(CNCc1ccc(Sc2ccccn2)o1)c1ccccc1 510283550 OPNRQFQCHBACCK-UHFFFAOYSA-N 322.433 4.629 30 20 DJED Cc1ccc(-c2nc(-c3nc4ccc(C#N)cc4[nH]3)cs2)cc1 511682453 KXWBZCWUCGCUCY-UHFFFAOYSA-N 316.389 4.534 30 20 DJED Cc1ccc2c(C(=O)Nc3ccccc3CC#N)csc2c1 521850382 QNMAINXXUVBOHF-UHFFFAOYSA-N 306.390 4.528 30 20 DJED Cc1ccccc1C(NCCC(C)(C)C#N)c1ccccc1C 544894512 WOPYSSKVQNBGQP-UHFFFAOYSA-N 306.453 4.922 30 20 DJED N#Cc1ccnc(N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)c1 553250091 MTFPYEWTPWQUDH-MRXNPFEDSA-N 317.314 4.535 30 20 DJED Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCC(C)(C)CCC#N 567646230 JCIDWYXESPTWIF-GOSISDBHSA-N 309.457 4.773 30 20 DJED CC[C@@H]1CCc2ccccc2N1C(=O)c1ccc(C#N)c(Cl)c1 567995075 ZXGIQLPCQPZMHJ-MRXNPFEDSA-N 324.811 4.583 30 20 DJED Cc1ccc(C)c(N(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 582368221 AXHFYCSVUQIKAV-UHFFFAOYSA-N 321.424 4.773 30 20 DJED Cc1ccccc1[C@@H](C)N(CCCSCC#N)CC(C)C 585754799 SZHJGTMLWGVNJD-QGZVFWFLSA-N 304.503 4.661 30 20 DJED C[C@H](NC1(c2ccccc2Cl)CC1)c1ccc(C#N)c(F)c1 592391769 JATFUONXGZTBFH-LBPRGKRZSA-N 314.791 4.691 30 20 DJED C[C@H](NCCCC#N)c1ccc(O[C@@H](C)c2ccccc2)cc1 595034813 YBTIQVBICXWXEA-IRXDYDNUSA-N 308.425 4.781 30 20 DJED N#CC[C@@H]1CCCN(Cc2ccc(F)c(-c3cccs3)c2)C1 597173546 JXYFEWGBQIOXKU-AWEZNQCLSA-N 314.429 4.680 30 20 DJED CC[C@H](C)Oc1cc(CNc2ccc(CC#N)cc2)ccc1OC 612691880 ZQNIHTYVMVQGDR-HNNXBMFYSA-N 324.424 4.551 30 20 DJED C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1ccc(C(F)F)nc1 658037440 WQPVCPIWECEJQU-PBHICJAKSA-N 316.395 4.857 30 20 DJED Cc1ccnc(Oc2cc(N=Cc3ccccc3O)ccc2C)c1 741845640 UMEDVYIBACDMGM-UHFFFAOYSA-N 318.376 4.947 30 20 DJED CCCOc1cccc(/C=C2/CCc3cc(C#N)ccc3C2=O)c1 742437883 SBELZASFXDMEHW-WQRHYEAKSA-N 317.388 4.560 30 20 DJED CC1(C)C(=NNc2ccc(Cl)cc2Cl)[C@@H]2CCCO[C@@H]21 743427950 GFSZLGUGICNZKV-HZMBPMFUSA-N 313.228 4.596 30 20 DJED C[C@H](CC#N)OC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 744135099 IYILYTBZQMMEQD-CYBMUJFWSA-N 311.381 4.703 30 20 DJED CC(=NNc1cccc2ccccc12)c1nc2ccccc2n1C 747060259 NHLMYPMQFBUXAH-UHFFFAOYSA-N 314.392 4.563 30 20 DJED O=C(/C=C\c1cccc(OC(F)F)c1)c1ccccc1Cl 747061971 QJDBVLHMJQWWGW-HJWRWDBZSA-N 308.711 4.838 30 20 DJED CC(/C=C/C(=O)c1cnn(-c2ccccc2)c1)=C\c1ccccc1 750911346 YYKHAKOWVOTWCB-MIFVOYFBSA-N 314.388 4.715 30 20 DJED CCCCC[C@H](C)NC(=O)c1c(Cl)cc(C#N)cc1Cl 754410407 QSEOLCCWJQTOJB-JTQLQIEISA-N 313.228 4.564 30 20 DJED Cc1ccc2c(C=NOc3ccccc3C(F)(F)F)c[nH]c2c1 754722406 DLYMXCITJQQOMG-UHFFFAOYSA-N 318.298 4.908 30 20 DJED Cc1cc(/C=C\C(=O)c2ccccc2OC(F)F)cnc1Cl 760265636 VQBGNBUCTCZFBA-SREVYHEPSA-N 323.726 4.541 30 20 DJED O=C(/C=C\c1csc(Cl)c1Cl)c1ccnc(Cl)c1 761480749 SRYYCTYJJKDSHF-UPHRSURJSA-N 318.612 4.999 30 20 DJED CC(C)O[C@@H]1C[C@H](/N=C/c2c(O)ccc3ccccc23)C1(C)C 766008285 FFVCULRRPOXTLW-FLLPAOQRSA-N 311.425 4.556 30 20 DJED CCSc1cccc(/C=C/C(=O)c2ccc3c(c2)COC3)c1 769740489 GCXVMTKAAPJGKI-RMKNXTFCSA-N 310.418 4.725 30 20 DJED N#Cc1cccc(COc2ccc(NCc3cccs3)cc2)c1 779594386 IVYKTHJMDNGYOL-UHFFFAOYSA-N 320.417 4.811 30 20 DJED CC(C)(C)c1ccc(C=NOCc2ccc(CC#N)cc2)cc1 784045355 RMTILEQYFKCTGF-UHFFFAOYSA-N 306.409 4.601 30 20 DJED CCC[C@@H](C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)C(C)C 797569940 BKDYOLQHYMXAQF-CHWSQXEVSA-N 306.475 4.689 30 20 DJED N#C[C@H]1CC[C@H](Nc2ccc(N3CCCCCCC3)c(F)c2)C1 799723562 MISQTNCESAIUCE-HOTGVXAUSA-N 315.436 4.700 30 20 DJED C=CC[C@H](N[C@@H](CC)c1cccc(Cl)c1O)c1ccncc1 806139972 TUKGXRLNSIOAST-IRXDYDNUSA-N 316.832 4.799 30 20 DJED O=C(/C=C\c1cscc1C(F)(F)F)c1cccc(F)c1 811685345 PNDVMTMPONTXDV-PLNGDYQASA-N 300.276 4.802 30 20 DJED CC(/C=C/C(=O)c1ccco1)=C\c1ccccc1OC(F)F 811693653 OGVPDXXJIXBQJC-MVKOLZDDSA-N 304.292 4.723 30 20 DJED FC(F)(F)c1cccc(NN=C2CC[C@H](c3ccccc3)C2)n1 814853169 FZJTXPYJJFNQFF-ZDUSSCGKSA-N 319.330 4.836 30 20 DJED CC(=NNc1ncccc1C)c1sc(-c2ccccc2)nc1C 814911789 UBALYVLUYPSGSC-UHFFFAOYSA-N 322.437 4.658 30 20 DJED C#Cc1cccc(NC(=O)N[C@H](c2ccccc2)C(C)(C)C)c1 916517808 TZWFZYFCQIZOJH-GOSISDBHSA-N 306.409 4.577 30 20 DJED COc1ccc(C=NN[C@@H](C)c2ccccc2)c2ccccc12 920382200 DTKPNCRKIWPRFK-HNNXBMFYSA-N 304.393 4.533 30 20 DJED O=C1/C(=C/c2ccc(C(F)(F)F)cc2)Cc2c(F)cccc21 921263277 ATEPJWIUZQDRPI-DHZHZOJOSA-N 306.258 4.667 30 20 DJED CCc1ccc2occ(C(=O)O[C@@H](C)c3cccc(C#N)c3)c2c1 1127021497 IUFVEJQJGZFLRM-ZDUSSCGKSA-N 319.360 4.785 30 20 DJED C=CCN(Cc1ccccc1)Cc1cnc(-c2ccccc2)s1 1138531528 NZLYJHRXYFAEIO-UHFFFAOYSA-N 320.461 4.998 30 20 DJED C[C@H](CC(C)(C)c1ccccc1)Nc1ncc(C#N)cc1Cl 1185107476 QTLBISOVAMHNQX-CYBMUJFWSA-N 313.832 4.775 30 20 DJED CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(Cl)cc1C#N 1279077512 MLWJGGHFGNJPCV-ZDUSSCGKSA-N 304.821 4.757 30 20 DJED N#Cc1ccccc1Oc1ccccc1-c1nnc(C2CCC2)o1 1322346504 OUVIACADEWXFEY-UHFFFAOYSA-N 317.348 4.668 30 20 DJED N#Cc1ccccc1/C=C/c1nnc(-c2ccc3ccccc3c2)o1 1328405231 FVSGVPYWZYBEPK-VAWYXSNFSA-N 323.355 4.932 30 20 DJED CC[C@@H](CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C(C)C 1352002149 ULDGIBVDMWBNJU-STQMWFEESA-N 318.486 4.755 30 20 DJED CC[C@@H](C)CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 1434914491 DDTUZUKLXGDCAB-CQSZACIVSA-N 308.381 4.725 30 20 DJED Cc1ccc(C#N)cc1C(=O)N1CCC[C@H]1CCC1CCCCC1 1457919095 WCRVVUUUEULZJK-IBGZPJMESA-N 324.468 4.832 30 20 DJED CCC[C@@H](Cc1ccccc1)Nc1ccccc1O[C@@H](C)C#N 1474386897 IOQIOWUBSUVFHL-WMZOPIPTSA-N 308.425 4.801 30 20 DJED Cc1c(Cl)cnc(N2CCC[C@H]2/C=C/c2ccccc2)c1C#N 1559292357 NOCFSZOWXIWMBQ-SCOAYWHSSA-N 323.827 4.597 30 20 DJED C=C(Cl)CNC(=O)Nc1cccc(-c2ccc(F)c(F)c2)c1 1562812516 QQVICONCJPOANU-UHFFFAOYSA-N 322.742 4.506 30 20 DJED Cc1cc(N[C@@H](C)c2ccc(Cl)cc2Cl)ncc1C#N 1651022775 LOSFHBAJPKIFBO-JTQLQIEISA-N 306.196 4.742 30 20 DJED CC(C)(C)C[C@@H](Nc1cc(C#N)cnn1)c1ccc(Cl)cc1 1651580383 JWPRYRNCFFPKNC-OAHLLOKOSA-N 314.820 4.591 30 20 DJED N#CC1(CCN2CCC[C@@H](Cc3ccccc3)C2)CCCCC1 1653323079 HGIMFCBMABXPSR-FQEVSTJZSA-N 310.485 4.805 30 20 DJED C=C(Br)CN[C@H](c1ccc(Cl)cc1F)C(C)C 1654106869 YGEIVDNNBXQGDV-ZDUSSCGKSA-N 320.633 4.674 30 20 DJED CCOC(=O)Nc1ccc(N[C@H]2CCCCC2(C)C)cc1C#N 1664262073 KLKKBEHTNYAOPZ-INIZCTEOSA-N 315.417 4.507 30 20 DJED C=C(CNC(=O)Nc1cc(C)cc2ccccc12)c1ccccc1 1671515902 ONEVLGLAMRNJAU-UHFFFAOYSA-N 316.404 4.983 30 20 DJED C=CCOc1ccc(CN[C@@H](C)c2cccc(Cl)c2)cc1 21020767 SZBMFBPEXSYDGN-AWEZNQCLSA-N 301.817 4.756 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 27354003 HSDUBJRTYNCZKB-UHFFFAOYSA-N 300.789 4.560 30 20 DJED Cc1cccc(/C=C/C(=O)c2cnn(-c3ccc(F)cc3)c2C)c1 65999732 AIKHSXMPQIPUSN-IZZDOVSWSA-N 320.367 4.524 30 20 DJED C=CCCCN(C)C(=O)Nc1cccc(-c2nc(C)cs2)c1 77441118 FFUBGUMLGQJEMR-UHFFFAOYSA-N 315.442 4.548 30 20 DJED Cc1occc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 104416839 SJDQUORKWCFSSN-UHFFFAOYSA-N 318.332 4.504 30 20 DJED Cc1cccc(C)c1NC(=O)CS[C@@H](C)c1ccc(C#N)cc1 118446300 JPESBZZODCDHJJ-HNNXBMFYSA-N 324.449 4.608 30 20 DJED C[C@@H](C#N)Oc1ccccc1NCc1ccc(C(F)F)cc1 185623297 DMJXKRAEKOIBMH-LBPRGKRZSA-N 302.324 4.527 30 20 DJED C=C(C)[C@@H](N[C@H](C)c1cnc(C)s1)c1ccc(F)c(F)c1 186451550 RSSLXOIBZDYPBJ-QLJPJBMISA-N 308.397 4.698 30 20 DJED N#Cc1ccccc1/C=C/C(=O)Nc1cccc(Cl)c1Cl 194595701 QFTAKQKVXOYEKH-CMDGGOBGSA-N 317.175 4.517 30 20 DJED O=C(/C=C\c1csc([N+](=O)[O-])c1)c1ccc2ccccc2c1 207186351 OVWMAKIKKQXSOC-YVMONPNESA-N 309.346 4.706 30 20 DJED CC[C@@H]1CCC[C@@H](Nc2ccc(C#N)c(Br)c2)C1 228189236 PPDHZMXIEUKKJK-DGCLKSJQSA-N 307.235 4.701 30 20 DJED C[C@@H](NCCCCC(C)(C)C#N)c1cccc(N2CCCC2)c1 278839514 QUPFELQPUUBQEM-QGZVFWFLSA-N 313.489 4.657 30 20 DJED CCCN(CCCCC#N)[C@@H]1C[C@@H](OCC)C12CCCCC2 303841743 BTVQCTKZDLGBAC-QZTJIDSGSA-N 306.494 4.520 30 20 DJED C[C@@H](c1cccc(Cl)c1)N(C)Cc1ccc(C#N)c(F)c1 404053894 GDTQAJGBCJUZIP-LBPRGKRZSA-N 302.780 4.544 30 20 DJED CC[C@@H](CC(C)C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 410456718 IBNUPEYEECBGNZ-GJZGRUSLSA-N 318.486 4.949 30 20 DJED C=CCC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccco1 417355756 BKGMGZUKDAKVAI-RTBURBONSA-N 306.409 4.826 30 20 DJED C[C@@H](N[C@@H](CC(F)F)c1ccccc1)c1ccc(C#N)c(F)c1 421866492 ALOYWGHBCKDUNQ-PXAZEXFGSA-N 318.342 4.744 30 20 DJED C=CCC[C@@H](C(=O)N[C@@H](C)c1ccncc1CC)c1ccccc1 427930265 ATUZTNOTRZEBGP-OXJNMPFZSA-N 322.452 4.571 30 20 DJED C=CCCOCCCCC(=O)Nc1cc(C)c(C)cc1Cl 452880980 OHCLAGDWIOGSEN-UHFFFAOYSA-N 309.837 4.658 30 20 DJED CCN(C(=O)C1=CCC(C)(C)CC1)[C@H](C)c1ccc(C#N)cc1 454981148 SBJFXIPOEXNNDA-OAHLLOKOSA-N 310.441 4.604 30 20 DJED CC#CCCCC(=O)N(C1CC1)[C@H](C)c1ccccc1Cl 464560688 ODNDAJZKSAZELR-CQSZACIVSA-N 303.833 4.586 30 20 DJED CCCN(CCCC(C)(C)C#N)[C@@H](C)c1ccccc1OC 472448388 HLHBYJAGKQBNQK-INIZCTEOSA-N 302.462 4.798 30 20 DJED C=CCN(CC=C)C(=O)[C@@H](C)S[C@H](C)c1cccc(Cl)c1 498110096 NCEAHLFDMNTIGC-ZIAGYGMSSA-N 323.889 4.723 30 20 DJED C=C(C)CCSc1nnc(Cc2c(F)cccc2Cl)o1 505518614 FZRMJHNYYOWSIN-UHFFFAOYSA-N 312.797 4.511 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CCC[C@@H](C)C1 523364071 POWPQWOKZHRWDX-VQIMIIECSA-N 312.457 4.512 30 20 DJED CC(C)(C#N)CCCCN1CC[C@](F)(c2cc(F)cc(F)c2)C1 556506892 XNZNXUXOYDRAIJ-GOSISDBHSA-N 324.390 4.555 30 20 DJED C[C@H](c1ccccc1Cl)N(C)Cc1cn2ccccc2c1C#N 603856577 GPSALWDVCSCLNV-CQSZACIVSA-N 323.827 4.657 30 20 DJED C=CCC(CC=C)C(=O)Nc1cc(C(C)(C)C)sc1C#N 611359725 UYOOPMXJXDTONG-UHFFFAOYSA-N 302.443 4.624 30 20 DJED O=C1/C(=C/c2cccc(OC(F)(F)F)c2)Cc2cc(F)ccc21 734305155 KENJMPCFMSJSIO-WUXMJOGZSA-N 322.257 4.547 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C\c3ccc(SC)cc3)c2c1 734307732 RNCFYMHPJUTTMT-YHYXMXQVSA-N 323.417 4.795 30 20 DJED CC(=NNc1cccc(C(F)(F)F)n1)c1cccc(C)c1C 739421257 GRQUSASWZJZNSM-UHFFFAOYSA-N 307.319 4.553 30 20 DJED C(=NNc1cccc2ccccc12)c1cnc(-c2ccccc2)nc1 747059855 BXJGGSIJMZWRQY-UHFFFAOYSA-N 324.387 4.743 30 20 DJED FC(F)(F)c1cccc(NN=C[C@H]2CCOc3ccccc32)c1 752156920 JAYHJWDVUFWKEA-GFCCVEGCSA-N 320.314 4.669 30 20 DJED CC(C)c1ccc(C=NOCc2ncccc2C(F)(F)F)cc1 762189213 QIPIQNPYEGJDJD-UHFFFAOYSA-N 322.330 4.775 30 20 DJED CSc1ccc(C(=O)/C=C/c2cccc(C#N)c2)c(Cl)c1 765613331 KMKBMLMLBXVMFL-VMPITWQZSA-N 313.809 4.830 30 20 DJED Cc1cc2c(cc1C)C(=O)/C(=C\c1ccc(Cl)nc1)CS2 777471148 QERDMXHNHJAWEJ-QPEQYQDCSA-N 315.825 4.724 30 20 DJED Cc1ccc(C(=O)/C=C\c2sccc2Cl)cc1[N+](=O)[O-] 782304982 DCWWXNCKNHJMMQ-PLNGDYQASA-N 307.758 4.514 30 20 DJED CC(=NNc1ncccc1C(F)(F)F)c1csc(Cl)c1 787152561 WWJHOKAXQFTHKO-UHFFFAOYSA-N 319.739 4.651 30 20 DJED Cc1cc2ccccc2nc1NN=C1CCC[C@H]1c1ccccn1 794921110 BNUYUFPWDSXMFG-INIZCTEOSA-N 316.408 4.674 30 20 DJED C#C[C@@H](CCC)NC(=O)Nc1c(C(C)C)cccc1C(C)C 806095541 LMJCHLBGOGUGMR-HNNXBMFYSA-N 300.446 4.857 30 20 DJED CC(F)(F)c1ccc(CNc2nc3ccccc3cc2C#N)cc1 814371728 ZITVDVJXZNSYSP-UHFFFAOYSA-N 323.346 4.830 30 20 DJED Cc1ccc(N(CC(C)C)C(=O)c2ccc(CC#N)cc2)c(C)c1 844665539 HIYYTAAGPKKIEC-UHFFFAOYSA-N 320.436 4.672 30 20 DJED C[C@H]1Cc2c(sc(NC(=O)CCCC3CC3)c2C#N)[C@H](C)C1 1129333857 DVLQYSYIHZHJQN-VXGBXAGGSA-N 316.470 4.824 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2CC(C)(C)[C@H]2c2ccccc2)n1 1185028403 IAKIFDGGFYZCLW-GOSISDBHSA-N 319.452 4.838 30 20 DJED CCCC[C@H](CC)CNCc1cc(C#N)ccc1Br 1308179996 VXBQZRRUAPZCCN-ZDUSSCGKSA-N 323.278 4.627 30 20 DJED C=CCCO[C@@H](C)C(=O)N(Cc1ccccc1)c1ccc(C)cc1 1318103705 REVWFAZPICTWEJ-SFHVURJKSA-N 323.436 4.509 30 20 DJED C=CCC(CC=C)c1nnc([C@@H](C)Oc2ccccc2F)o1 1322708465 FLMYACNPMNHTTC-GFCCVEGCSA-N 302.349 4.585 30 20 DJED Cc1ccc(C#N)cc1NC(=O)[C@@H](CCc1ccccc1)C(C)C 1435386686 RWDQDEDTFOBYRW-IBGZPJMESA-N 320.436 4.710 30 20 DJED CC(C)(C)[C@@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)CC1 1474115181 ZMHUPKWOHJCSHI-IAGOWNOFSA-N 302.437 4.782 30 20 DJED CC[C@H](CN(CC)C(=O)[C@@]1(C#N)CC12CCCC2)c1ccccc1 1523397986 UKZKVGXLFDTDCL-UTKZUKDTSA-N 324.468 4.503 30 20 DJED N#CCC1(OC(=O)c2ccc3c(c2)oc2ccccc23)CCC1 1525397618 PLABXKCWWHANEJ-UHFFFAOYSA-N 305.333 4.579 30 20 DJED CC[C@H]1CC[C@H](C(=O)N(c2ccc(C#N)cc2)C2CCC2)CC1 1529862253 FSKMFMMWVQWLBL-JCNLHEQBSA-N 310.441 4.660 30 20 DJED Cc1ccc(C2(C(=O)Nc3ccc(Cl)cc3C#N)CCC2)cc1 1532005425 KBLSMOWPKFDTPV-UHFFFAOYSA-N 324.811 4.581 30 20 DJED CC(C)c1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1Cl 1535479025 KMLIARCBTJWJNQ-OCCSQVGLSA-N 305.805 4.703 30 20 DJED N#CCc1ccc(CN2CCC[C@@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1559517651 VWHKMSYZVAFRCQ-XSDIEEQYSA-N 308.469 4.543 30 20 DJED CCN(CCC(C#N)(c1ccccc1)c1ccccc1)CC1CC1 1559533317 HYYLESWOSOFSJH-UHFFFAOYSA-N 318.464 4.618 30 20 DJED C=C(CNC(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C)c1ccccc1 1564882342 RBAQSZMYHDUKNV-FUHWJXTLSA-N 314.473 4.556 30 20 DJED CC(C)[C@@H]1CCC[C@@H](Nc2c(Br)cccc2C#N)C1 1611953376 XEDVMQVRPYMZQK-TZMCWYRMSA-N 321.262 4.947 30 20 DJED N#Cc1c(F)cccc1NCC1(c2c(F)cccc2F)CCC1 1612490688 NEFNLCQMBSBPAV-UHFFFAOYSA-N 316.326 4.509 30 20 DJED Cc1cccc(CSc2ccc(C#N)cc2)c1Br 1640866497 MWOPJKFQUALHTQ-UHFFFAOYSA-N 318.239 4.922 30 20 DJED CCCC[C@@H](C)N(CCCC)C(=O)c1cc(F)c(C#N)c(F)c1 1641278512 XWNOOBTYTDWBPM-CYBMUJFWSA-N 322.399 4.657 30 20 DJED Cc1ccc(CC(C)(C)NCc2ccccc2C(C)(C)C#N)cc1 1646273714 QAOVUWRUVACGBY-UHFFFAOYSA-N 320.480 4.907 30 20 DJED COc1ccc([C@@H](C)Sc2nc(Cl)c(C#N)s2)cc1 1651434432 WIRDTGOOSJGPNR-MRVPVSSYSA-N 310.831 4.530 30 20 DJED CC(C)(C)[C@@H](Nc1ccc(Cl)c(C#N)n1)c1ccc(F)cc1 1651647385 GGIVMAPBBYVOFN-INIZCTEOSA-N 317.795 4.945 30 20 DJED N#Cc1cccc(CN2CCC(=Cc3cccc(F)c3)CC2)c1F 1653826435 CEULMFYTVNSRBP-UHFFFAOYSA-N 324.374 4.516 30 20 DJED N#Cc1ccc(C2=CCN(CCc3ccc(Cl)cc3)CC2)cc1 1654015392 OYBHLUYMWZHETM-UHFFFAOYSA-N 322.839 4.543 30 20 DJED C[C@@]1(c2ccccc2)CCCN([C@H](C#N)c2ccccc2)CC1 1654425046 JWEFHBDOCIFMQZ-NHCUHLMSSA-N 304.437 4.695 30 20 DJED CCCC[C@H](C)N(CCCC)Cc1cc(C#N)ccc1OC 1658747285 UXLGEVRKPJXHLO-INIZCTEOSA-N 302.462 4.748 30 20 DJED CCCCN(C(=O)Nc1scc(C)c1C#N)C1CCCCC1 1677351660 UQDKZRXSHVSPRZ-UHFFFAOYSA-N 319.474 4.895 30 20 DJED N#CCc1ccc(NC(=O)c2cc3c(s2)CCCCCC3)cc1 8126290 RPVNKYHYSGXVSV-UHFFFAOYSA-N 324.449 4.725 30 20 DJED N#CCOc1ccc(NCc2ccc(Cl)cc2Cl)cc1 21511901 BJPVTUTWTNPFAG-UHFFFAOYSA-N 307.180 4.508 30 20 DJED N#C[C@H](C(=O)c1ccc(C2CCCCC2)cc1)c1ccccn1 41493483 AHAXFIRWGINGGH-SFHVURJKSA-N 304.393 4.619 30 20 DJED N#Cc1ccc(NCc2ccc(Br)cc2)c(Cl)c1 62790809 HTIVFDZPQDJCRO-UHFFFAOYSA-N 321.605 4.586 30 20 DJED CC(C)c1cccc(C(C)C)c1NC(=O)N(C)[C@@H](C)CC#N 119862525 QAQKNNRBMBLUGN-AWEZNQCLSA-N 301.434 4.699 30 20 DJED C=CCCC(=O)N1C[C@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 136057013 MEUDALQNLVPMFQ-IUODEOHRSA-N 311.347 4.581 30 20 DJED N#CCC[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccccc1 163566931 RXMHPZOXNDVLJC-INIZCTEOSA-N 313.788 4.507 30 20 DJED N#Cc1ccc(CNc2ccc(CCC(F)(F)F)cc2)s1 175803816 OEWKLLISIJLBEC-UHFFFAOYSA-N 310.344 4.727 30 20 DJED N#Cc1cc(F)ccc1NC(=O)CCCCCc1cccs1 177588049 UDQDYKWZHOYQHC-UHFFFAOYSA-N 316.401 4.500 30 20 DJED C[C@@H](Nc1cccc(OCCCC#N)c1)c1nc2ccccc2o1 182433242 RCEWZEUSLPXXOV-CQSZACIVSA-N 321.380 4.683 30 20 DJED N#C[C@H]1CCC[C@H](Nc2cccc(CSc3ccccn3)c2)C1 185743323 MUDIHQZWSCZDHI-RDJZCZTQSA-N 323.465 4.868 30 20 DJED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1cc(Cl)ccc1O 186150502 DYZPIVZBYQJUSW-GUYCJALGSA-N 314.816 4.741 30 20 DJED N#CCC[C@H](N[C@@H]1CCc2c(F)ccc(F)c21)c1ccccc1 271477728 IGULEXKBQDKBKV-ZWKOTPCHSA-N 312.363 4.587 30 20 DJED CCc1nc(C(C)C)ccc1CNc1ccccc1O[C@H](C)C#N 297524319 DGVKTGOTCHXCNC-OAHLLOKOSA-N 323.440 4.670 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1ccc2ncccc2c1 299348521 JFVJULHFGGOAJF-CSKARUKUSA-N 319.408 4.525 30 20 DJED C=CCN(CC=C)C(=O)c1ccc(-c2ccc(C)cc2)cc1F 303291090 KXZXJJXYLYMVJP-UHFFFAOYSA-N 309.384 4.615 30 20 DJED COc1cccc([C@H](C)Nc2ccc(C#N)c(C(F)(F)F)c2)c1 390864083 OJBHFCWFYZKZFA-NSHDSACASA-N 320.314 4.759 30 20 DJED CC(C)(CN[C@H]1CC[C@H](C#N)C1)c1ccc(Cl)c(Cl)c1 442781027 NRSLHUHGZQJVLG-AAEUAGOBSA-N 311.256 4.553 30 20 DJED Cc1cc(NC(=O)NCC(C)(C)CCC#N)c2ccccc2c1 455741358 LVZRTKGYZKOJDN-UHFFFAOYSA-N 309.413 4.600 30 20 DJED C=CCOCCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H](C)CC 464002642 FEYMAILAWQMQRM-KDOFPFPSSA-N 323.864 4.526 30 20 DJED CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)CC(C)(C)C#N 469190563 MATTVZOEWXFKAZ-SFHVURJKSA-N 314.473 4.576 30 20 DJED C=C(C)[C@@H](Nc1ncnc2ccccc12)c1ccc(F)c(F)c1 475727345 FILASBXBYNWPOV-QGZVFWFLSA-N 311.335 4.637 30 20 DJED CC[C@H](CC(F)(F)F)N[C@@H]1CCCCc2cc(C#N)ccc21 482002254 PCHZDXGJEUVTSY-GDBMZVCRSA-N 310.363 4.646 30 20 DJED C=C[C@H](CC(=O)N[C@H](C)c1cccc(F)c1F)c1ccccc1 500155344 ORGJPQAGXLVADM-ZIAGYGMSSA-N 315.363 4.502 30 20 DJED N#Cc1cccnc1NCc1ccccc1Sc1ccccc1 501276934 ZPZBNKDQZIXYIE-UHFFFAOYSA-N 317.417 4.717 30 20 DJED Cc1ccc(-c2ccc(CN(CCC#N)Cc3ccco3)o2)cc1 505778584 VKAFDAVTKIEMKM-UHFFFAOYSA-N 320.392 4.764 30 20 DJED C[C@H](SCCOc1ccccc1C#N)c1ccccc1F 507886450 OPBJSNZKBSIEBM-ZDUSSCGKSA-N 301.386 4.571 30 20 DJED CC(C)c1ccc([C@H](C)CC(=O)N(CC#N)C2CCCC2)cc1 524584548 GVDDEWSMZCCBNG-MRXNPFEDSA-N 312.457 4.598 30 20 DJED CCC[C@H](NCc1cccc(C#N)c1F)c1ccc(F)cc1F 539328709 ZCNZKQURWHWXSY-KRWDZBQOSA-N 318.342 4.607 30 20 DJED N#CCC1CCN(Cc2ccccc2Oc2ccccc2)CC1 541955473 YSPCZQSMSPNYKQ-UHFFFAOYSA-N 306.409 4.605 30 20 DJED N#CCc1ccc(CSCc2cccc(OC(F)F)c2)cc1 542214530 YWMBHDVLUCPHEQ-UHFFFAOYSA-N 319.376 4.787 30 20 DJED C=CCC[C@H](CC)NCC1(c2ccccc2Cl)CCOCC1 545192233 MPPGQESRVIWWQG-INIZCTEOSA-N 321.892 4.723 30 20 DJED C[C@@H](c1ccc(CN2CCC(CCC#N)CC2)cc1)C(F)(F)F 574273408 GHSGCMDFYBYZRM-AWEZNQCLSA-N 324.390 4.868 30 20 DJED N#CCC1(CSCc2c(Cl)ccc3cccnc23)CC1 596332431 MOLOHTMWKNBSTL-UHFFFAOYSA-N 302.830 4.815 30 20 DJED Cc1cc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)cc(C)c1F 598883329 QSTKCCHOVWGUPG-UHFFFAOYSA-N 322.383 4.514 30 20 DJED C=C(C)CN[C@H](CC(F)(F)F)c1ccc(Br)cc1 680432992 NHFFVDPJAVPPBL-GFCCVEGCSA-N 322.168 4.608 30 20 DJED C=C(C)COc1cccc(NCc2ccc3cnccc3c2)c1 683772618 MNCPWGZXKLYTPJ-UHFFFAOYSA-N 304.393 4.802 30 20 DJED C#Cc1cccc(NC(=S)N(CCC(C)C)C2CCCC2)c1 726484014 AFOBMIBXGBUNCQ-UHFFFAOYSA-N 314.498 4.655 30 20 DJED FC(F)(F)c1ccccc1NN=Cc1ccnc2ccccc12 731315091 VOOCDGGAQXBIDL-UHFFFAOYSA-N 315.298 4.700 30 20 DJED C#Cc1cccc(NC(=O)N[C@H](CC)c2ccc(Cl)s2)c1 734060608 XULIGIQXTIPEJP-CYBMUJFWSA-N 318.829 4.656 30 20 DJED CSc1ccc(C(C)=NNc2cc(F)cc(F)c2)cc1F 741762956 XLZJMKYGASFENM-UHFFFAOYSA-N 310.344 4.662 30 20 DJED N#Cc1csc(/C=C/C(=O)c2cc3cc(Cl)ccc3o2)c1 748440289 JSVUVIJVXMXYJP-NSCUHMNNSA-N 313.765 4.915 30 20 DJED COc1ccc(C(=O)/C=C/c2ccc(F)c(Cl)c2)c(F)c1 755571409 ASPXBYVWAYUPAE-XVNBXDOJSA-N 308.711 4.523 30 20 DJED C=CC[C@H](NC(=O)[C@H](CC)C1CCC(C)CC1)c1ccncc1 763481479 WKILAGWBCXSVBQ-HWMSQKFYSA-N 314.473 4.668 30 20 DJED C=C(Cl)COc1ccc([C@@H](C)NCc2cccc(F)c2)cc1 764765711 CMMKFMRXXJQBGV-CQSZACIVSA-N 319.807 4.808 30 20 DJED C=CC[C@H](N[C@H](C)c1ccc(N(C)CC)cc1)c1ccncc1 766020953 RPTCWWAZYDDCKX-UZLBHIALSA-N 309.457 4.506 30 20 DJED C=CCN(C(=S)Nc1ccccc1Oc1ccccc1)C1CC1 771543874 OJFMLCCDGBCPDF-UHFFFAOYSA-N 324.449 4.826 30 20 DJED C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)c2ccc[nH]2)cc1 773114956 DKTDNFRPMRQOBN-KGLIPLIRSA-N 304.821 4.558 30 20 DJED C[C@@H](NCC(C)(C)CCC#N)c1ccc(SC(F)F)cc1 773397842 VPSLNOPASMDSJS-GFCCVEGCSA-N 312.429 4.982 30 20 DJED C#CCCCCCC(=O)N(c1ccc(F)cc1Cl)C(C)C 779902662 HMJLLAVXISKQFX-UHFFFAOYSA-N 309.812 4.804 30 20 DJED CCCCCCCC[S@@](=O)Cc1ncc(Cl)cc1Cl 790140253 ZUDQJHYTJBQXNV-LJQANCHMSA-N 322.301 4.998 30 20 DJED CC[C@H](C#N)Oc1cccc(CNCc2cccc(C3CC3)c2)c1 817407547 SRXDXBPRKMFZLF-HXUWFJFHSA-N 320.436 4.535 30 20 DJED Cc1ccc(-c2ccccc2NC(=O)NCCCCC#N)s1 880280889 HFYGOJJUIAECFF-UHFFFAOYSA-N 313.426 4.539 30 20 DJED CCCCCCCCCNC(=O)N1CCC[C@@H]1c1cccnc1 916194355 VHHIEQPSSAQPLB-GOSISDBHSA-N 317.477 4.679 30 20 DJED COc1c(Cl)cc(Cl)cc1C=NN[C@H](C)c1ccccc1 921260141 SNFFNXVNAQAYFK-LLVKDONJSA-N 323.223 4.687 30 20 DJED Cc1c(C(=O)O[C@@H](C)c2ccc(C#N)cc2)oc2ccc(F)cc12 1126712581 HQVUAZUXKKFSTI-LBPRGKRZSA-N 323.323 4.670 30 20 DJED C=C(Cl)CN[C@@H](C)c1ccc(OCCC(C)C)c(OC)c1 1192674257 YAHVDQOLLPBZRJ-AWEZNQCLSA-N 311.853 4.523 30 20 DJED Cc1cc(CN2CCC[C@H]2c2cccc(Cl)c2)ccc1C#N 1204658801 XZAXNBCJQBUQDM-IBGZPJMESA-N 310.828 4.857 30 20 DJED Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(F)c(C#N)c1 1265137479 ZDBXHJZWLQBBTE-LJQANCHMSA-N 324.399 4.523 30 20 DJED CCC[C@@H]1CCC[C@H]1C(=O)Nc1cc2ccccc2cc1C#N 1275734005 XGGXBKHPDWRUBQ-RDTXWAMCSA-N 306.409 4.866 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1ccc(C2CCC2)cc1 1293064604 UJQHEIYPJIPMIP-UHFFFAOYSA-N 312.457 4.746 30 20 DJED N#C[C@H](CCc1ccccc1)SCc1c(F)cccc1F 1307352420 KKDLPKLYOLCVIE-AWEZNQCLSA-N 303.377 4.723 30 20 DJED C[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(F)c2)c2ccccc21 1310842256 NIMCRIUPAFOOLP-ZDUSSCGKSA-N 323.371 4.633 30 20 DJED CC(C)[C@H](CC1CCCCC1)C(=O)Nc1ccc(F)c(C#N)c1 1358058364 SOBMFCBXYYHTCC-KRWDZBQOSA-N 316.420 4.878 30 20 DJED CC1(C)CN(Cc2ccc(-c3ccccc3C#N)cc2)C1(C)C 1459604564 AGFABBJHXCHJPC-UHFFFAOYSA-N 304.437 4.846 30 20 DJED C[C@H]1CCN(C[C@H](C)CCC#N)c2cc(Cl)ccc2S1 1462304027 JGVCJOCSOWHIGV-OLZOCXBDSA-N 308.878 4.971 30 20 DJED CCSc1ccccc1COc1cc(Cl)cc(C#N)c1 1473039783 XRCFTLONLUJZRQ-UHFFFAOYSA-N 303.814 4.903 30 20 DJED N#CC1(CC(=O)O[C@@H]2CCCC[C@H]2C(F)(F)F)CCCCC1 1523913647 NTLPTKRPTDTFSG-CHWSQXEVSA-N 317.351 4.515 30 20 DJED C[C@@H](CC(=O)Nc1cc(C#N)c2ccccc2n1)CC(C)(C)C 1525651726 XPTOJEVEEBMMHF-ZDUSSCGKSA-N 309.413 4.507 30 20 DJED CC[C@H]1CN(c2cccc(F)c2C#N)CC[C@@H]1c1ccccc1 1559127242 FOPJWGRZEVKGBN-RDJZCZTQSA-N 308.400 4.717 30 20 DJED N#Cc1c(CS[C@@H]2CCc3ccccc3C2)cn2ccccc12 1559437856 ITFGHWKUDVWFMR-GOSISDBHSA-N 318.445 4.602 30 20 DJED N#C[C@H](c1ccccc1)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 1559783500 QSLISTHOOZEFEX-PLACYPQZSA-N 302.421 4.662 30 20 DJED CCN(C(=O)O[C@H](C)CC(C)C)[C@H](C)c1ccc(C#N)cc1 1561131029 FEBAASJAIAADNX-HUUCEWRRSA-N 302.418 4.512 30 20 DJED Cc1ccnc(N[C@H](C)c2cc(Cl)ccc2Cl)c1C#N 1639812904 KEAWVHZUGVICNK-SNVBAGLBSA-N 306.196 4.742 30 20 DJED Cc1nc(N[C@H]2CCc3ccc(Cl)cc32)c(Cl)cc1C#N 1643006120 YMJPXNHNXBHMNX-HNNXBMFYSA-N 318.207 4.668 30 20 DJED Cc1cc(NC2CCC(C)(C#N)CC2)ccc1Br 1656113768 WPJPDCYYNLXKDU-UHFFFAOYSA-N 307.235 4.642 30 20 DJED CCC(CC)CN(C/C=C\c1ccc(F)cc1F)CCC#N 1658956380 WQGXRAPFCSHVST-ALCCZGGFSA-N 306.400 4.630 30 20 DJED CC[C@H](C)Sc1ccc(NC(=O)N(C)[C@@H](C)CC#N)c(C)c1 86284768 PQRKHROADFJVJL-KBPBESRZSA-N 319.474 4.652 30 20 DJED C=C1CCN(C(=O)c2ccc(SCc3ccccc3)cc2)CC1 111176258 CCKBNPVTJHSTIL-UHFFFAOYSA-N 323.461 4.771 30 20 DJED N#Cc1cccc(CNc2ccc(CCC(F)(F)F)cc2)c1 176955813 PILJIHOGFWYSMQ-UHFFFAOYSA-N 304.315 4.665 30 20 DJED C=CCC[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccccc1 180046077 VAFZGEDDRREGET-KRWDZBQOSA-N 314.360 4.531 30 20 DJED COc1cc(C(=O)/C=C\c2cccc(C)c2)ccc1OC(F)F 206081146 WYONNZWWMKPTMG-VURMDHGXSA-N 318.319 4.501 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)o1 209437659 HCFAUSOLMLYUKB-CLFYSBASSA-N 323.304 4.652 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)CC(C)(C)C1CC1 293514879 VTMIVMAWYGCKPM-CYBMUJFWSA-N 316.470 4.703 30 20 DJED C[C@H]1CCc2c(F)cccc2[C@@H]1Nc1snc(Cl)c1C#N 301946867 CLNLDSPOVASMOP-ISVAXAHUSA-N 321.808 4.543 30 20 DJED Cc1nc([C@H](C)/N=C(/O)C2(C3CCCCC3)CCCCC2)n[nH]1 329213400 JIUCZZBXXNMRGE-ZDUSSCGKSA-N 318.465 4.661 30 20 DJED Cc1nc(-c2ccccc2NCc2ccc(C#N)cc2)cs1 359592776 CAWOSQQIYGWNTC-UHFFFAOYSA-N 305.406 4.602 30 20 DJED C=CCC[C@H](NC(=O)Nc1cccc2[nH]ccc12)c1ccccc1 435602797 FIOUAYAKJWQVLF-KRWDZBQOSA-N 319.408 4.997 30 20 DJED CC(C)(C)[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1F 463239240 VBMADKFRNDCPHQ-RVSPLBMKSA-N 306.400 4.724 30 20 DJED N#CCSCCCN(Cc1ccccc1F)C1CCCCC1 466727564 CYELOQLNGZXRBR-UHFFFAOYSA-N 320.477 4.607 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(F)ccc1F 471133973 OZRQKHQNTVQULV-UHFFFAOYSA-N 316.351 4.575 30 20 DJED N#CCCCOc1cccc(NCCc2ccccc2Cl)c1 486124256 IXFPYDQUILVANA-UHFFFAOYSA-N 314.816 4.677 30 20 DJED N#CCc1cccc(C(=O)N2CCC[C@H]2CCC2CCCCC2)c1 488263582 ICHFQRMDHMSSLB-FQEVSTJZSA-N 324.468 4.718 30 20 DJED Cc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c(C)c1 534520109 ZYDURTGHGJDZHS-UHFFFAOYSA-N 312.438 4.786 30 20 DJED COc1ccc(CN(CCC(C)(C)C#N)Cc2ccccc2)cc1 540665184 GQVKXBVRPJOZEW-UHFFFAOYSA-N 322.452 4.637 30 20 DJED Cc1cccc([C@H](c2noc(C3(C#N)CCCC3)n2)C(C)C)c1 567311683 OVDPQOJNMLFVSQ-MRXNPFEDSA-N 309.413 4.501 30 20 DJED C[C@@H](NC[C@@H]1C[C@H]1c1ccccc1)c1ccc(C#N)cc1Cl 569024957 RJPOKZIWFASUIX-SKDZVZGDSA-N 310.828 4.666 30 20 DJED C=CCCC1(C(=O)Nc2onc(C3CCCCC3)c2C)CC1 570259960 JEJLMCKNRXCAGP-UHFFFAOYSA-N 302.418 4.716 30 20 DJED C=CC(C)(C)C(=O)Nc1ccc(Oc2nc(C)cs2)c(F)c1 577387160 ADAZVMIXXRAOJL-UHFFFAOYSA-N 320.389 4.534 30 20 DJED C=CCC(C)(C)c1noc([C@H]2C[C@@H]2c2ccccc2Cl)n1 577404739 NQKVXLSRCQZGOI-OLZOCXBDSA-N 302.805 4.848 30 20 DJED N#CCCCCCC(=O)N(Cc1ccccc1Cl)CC1CC1 588765078 VXTAILQECCIAPU-UHFFFAOYSA-N 318.848 4.553 30 20 DJED CC[C@H](c1ccccc1)N(C(=O)c1ccc(C#N)s1)C(C)C 598886838 XEAAXBYDFFXFOL-MRXNPFEDSA-N 312.438 4.622 30 20 DJED CCOc1cc(/C=C\c2ccc(C#N)cn2)ccc1OCC(C)C 603894475 XAZGRHVHULUKQB-YVMONPNESA-N 322.408 4.557 30 20 DJED C=CCCC(=O)Nc1cccc(Oc2ccnc3ccccc23)c1 604252470 GWLXBWDRNJWLMA-UHFFFAOYSA-N 318.376 4.932 30 20 DJED C=CCC[C@@H](Nc1cccc(CN2CCCC2=O)c1)c1ccco1 671755762 RDNGUWBOIBCYHD-GOSISDBHSA-N 324.424 4.521 30 20 DJED Fc1cc(F)cc(NN=Cc2cnc(-c3ccccc3)s2)c1 727255237 MBTBKGAEPXTTEP-UHFFFAOYSA-N 315.348 4.534 30 20 DJED CC(C)Sc1ccc(C(=O)/C=C\c2cccc(C#N)c2)cc1 728441864 RVEUHDCXPQEKNM-WDZFZDKYSA-N 307.418 4.955 30 20 DJED CCCC[C@@H](CC)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730418159 RHVFLPDKNYEWOF-YPMHNXCESA-N 318.417 4.828 30 20 DJED Oc1ccc2ccccc2c1/C=N/[C@H]1CSc2ccccc21 735415255 RJYDLYOTQNGRFY-PBGVMVHZSA-N 305.402 4.811 30 20 DJED CCCCCCCCCC(=O)N1CCCN(C2CCCC2)CC1 737958677 FVYQQSPSCQGAAD-UHFFFAOYSA-N 322.537 4.604 30 20 DJED C=CCOc1ccc(OC(=O)CCc2ccc(Cl)s2)cc1 742862124 QJUBPOZGCJQJNC-UHFFFAOYSA-N 322.813 4.505 30 20 DJED COc1ccc(NN=C(C)c2cccc(-c3ccncc3)c2)cc1 750924192 LODZKPLDWLLHIA-UHFFFAOYSA-N 317.392 4.593 30 20 DJED C=CC[C@@H](NC(=O)c1ccc([C@@H](C)CC)cc1)c1ccncc1 755322451 WRSGFLZKVQHROU-HNAYVOBHSA-N 308.425 4.642 30 20 DJED C[C@H](NCc1cc2ccccc2s1)c1ccc(OCC#N)cc1 758484075 VDBQEBMMLUQIKH-AWEZNQCLSA-N 322.433 4.654 30 20 DJED COc1ccc2oc(/C=C\C(=O)c3ccc(F)cc3F)cc2c1 763291182 WXJOFYLIUJFPQS-UTCJRWHESA-N 314.287 4.616 30 20 DJED CC[C@H](C#N)Oc1cccc(CN[C@@H](C)[C@@H](C)c2ccccc2)c1 772984790 QEMZRSJJBMTQTB-FUHIMQAGSA-N 322.452 4.649 30 20 DJED C=CC[C@H](N[C@@H](CC)c1cc(Cl)ccc1O)c1ccncc1 775507306 KCYCICPOQTZKBS-IRXDYDNUSA-N 316.832 4.799 30 20 DJED C=CCC[C@H](NC[C@H](O)c1ccc2ccccc2c1)c1ccco1 796761082 MRFAHVNZPBUURP-PMACEKPBSA-N 321.420 4.763 30 20 DJED Cc1ccc(C(=O)/C=C/c2c(C)nc3sc(C)cn23)c(C)c1 797110114 UTSSIDBRMFZLMI-BQYQJAHWSA-N 310.422 4.526 30 20 DJED C=CCC(C)(C)C(=O)Nc1ccc(OC)c(OC2CCCC2)c1 814281608 SVCLGBMGYDSNMI-UHFFFAOYSA-N 317.429 4.557 30 20 DJED c1ccc(C[C@@H]2CCC(=NNc3ncnc4ccsc34)C2)cc1 814878996 MUIFPTXFPBZHJZ-AWEZNQCLSA-N 322.437 4.502 30 20 DJED C=CC[C@@H](N[C@H](C)c1ccc(OC)cc1Cl)c1ccncc1 818333163 UMEGQFYFUPZODE-FZKQIMNGSA-N 316.832 4.712 30 20 DJED O=C(/C=C/c1cnc(C2CCC2)s1)c1ccc(C(F)F)nc1 853010008 VFHRBKPAAHGIDI-FNORWQNLSA-N 320.364 4.639 30 20 DJED CCCCCC(=NNc1cncc(Cl)n1)c1ccccc1 914556802 GVLXMORPEWBNHR-UHFFFAOYSA-N 302.809 4.527 30 20 DJED COc1cc(C(=O)/C=C\c2cc(Cl)cc(Cl)c2)ccc1O 917516788 FOPZOJMNRRIUOV-RQOWECAXSA-N 323.175 4.604 30 20 DJED O=C(/C=C/c1ccc(-c2cccs2)cc1F)c1cccnc1 917516993 GYVJBMSQVPYXCY-BQYQJAHWSA-N 309.365 4.845 30 20 DJED CCC/C=C\C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 920457187 NBQFIBUXAMGEAV-HIZXUYSRSA-N 304.393 4.637 30 20 DJED CCc1ccc(C2CCN(Cc3ccc(F)c(C#N)c3)CC2)cc1 1175087990 LBQPBCVEFJHBTB-UHFFFAOYSA-N 322.427 4.639 30 20 DJED N#Cc1ccc(F)c(CN[C@@H]2CCCC[C@@H](c3ccccc3)C2)c1 1179592910 KPMUOWDNHLOZKF-UYAOXDASSA-N 322.427 4.903 30 20 DJED C[C@H]1CN([C@H](C)c2cccc(C#N)c2)CCc2ccc(Cl)cc21 1195768086 QCFVGNNACPUROE-LSDHHAIUSA-N 324.855 4.934 30 20 DJED CCC(CC)[C@@H](NC(=O)c1ccc(CC#N)cc1)c1ccccc1 1264510363 OHOOCIBTYBHTQU-HXUWFJFHSA-N 320.436 4.660 30 20 DJED CCc1ccc([C@H](Nc2ccc(OCC#N)cc2)C(C)C)cc1 1319855754 CTKGJXZCUUUJDN-HXUWFJFHSA-N 308.425 4.961 30 20 DJED Cc1sc(NC(=O)C[C@H]2CCCCC2(C)C)c(C#N)c1C 1348959196 YPENHAWRBWNVLE-CYBMUJFWSA-N 304.459 4.782 30 20 DJED Cc1ccc(C(=O)N[C@H](CC(C)(C)C)c2ccccc2)cc1C#N 1355050876 SDKNVMLVQKRWJM-LJQANCHMSA-N 320.436 4.774 30 20 DJED CCC[C@@H](CC(C)C)C(=O)N(C)[C@H](C#N)c1ccc(CC)cc1 1436561659 YMELLWWPJSKLOV-RBUKOAKNSA-N 314.473 4.734 30 20 DJED CC(C)C[C@H](C)CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1456947363 NLPUQJMYSUEELZ-NSHDSACASA-N 312.335 4.588 30 20 DJED Cc1nsc(N[C@@H]2C[C@@H](C)C[C@@H](c3ccccc3)C2)c1C#N 1472804704 JUXDPQTWMOFBRU-APHBMKBZSA-N 311.454 4.708 30 20 DJED CCC(CC)Oc1ccc(C(=O)Nc2cccc(CC#N)c2)cc1 1526247787 CGDRWJAIEVPLND-UHFFFAOYSA-N 322.408 4.572 30 20 DJED CCC1(CC)CCC(NC(=O)CC2(C#N)CCCCC2)CC1 1531233133 NSBSKPVPGGXRPF-UHFFFAOYSA-N 304.478 4.716 30 20 DJED CN(C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCC(C)(C)CC1 1562110617 PMGUMJHZPDWINS-UHFFFAOYSA-N 319.836 4.644 30 20 DJED Cc1cccc(Oc2ccccc2CNc2cccc(C#N)n2)c1 1611953316 WBTRKISMGFFBQN-UHFFFAOYSA-N 315.376 4.666 30 20 DJED CC[C@H](Nc1nc(Cl)c(C#N)s1)C(C)(C)c1ccccc1 1642445641 RZAMTLGJTXWAEM-ZDUSSCGKSA-N 319.861 4.836 30 20 DJED CN(c1nc(C#N)c(Cl)s1)C1CC(C)(C)CC(C)(C)C1 1651224471 IEJYPGXBHUYXGL-UHFFFAOYSA-N 311.882 4.709 30 20 DJED Cc1ccc(-n2ncc(N[C@H]3CCC[C@@H](C#N)C3)c2C(C)C)cc1 1652190672 RDEIWORMBNCKJF-SJORKVTESA-N 322.456 4.798 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCC(c2ccccc2)CC1 1653148228 JJGRHGFVFSKTKK-UHFFFAOYSA-N 318.464 4.867 30 20 DJED N#Cc1cccnc1Nc1ccc(Oc2cccc(F)c2)cc1 1655008033 WTDOPHVWBUDTNV-UHFFFAOYSA-N 305.312 4.628 30 20 DJED Cc1ccc(C)c(C2CCN(CCc3ccc(C#N)cc3)CC2)c1 1655812960 IKPWXQOJMULNMC-UHFFFAOYSA-N 318.464 4.597 30 20 DJED Cc1cccc(C2=CCN(Cc3cccc(F)c3C#N)CC2)c1C 1660194582 SJWGOFFXPQVBQO-UHFFFAOYSA-N 320.411 4.604 30 20 DJED CCCC[C@H](CCC)CNC(=O)Nc1scc(C)c1C#N 1671134505 SOVXBDVSRMCWDZ-ZDUSSCGKSA-N 307.463 4.656 30 20 DJED C=C(Cl)Cn1c([C@@H](C)CC)nnc1N(CCC(C)C)C1CC1 1705747816 WEBKDPZPQTVBSY-ZDUSSCGKSA-N 324.900 4.559 30 20 DJED CCCCSc1nnc(SCc2cccc(C#N)c2)s1 48395914 YSFYYMXHMFZTST-UHFFFAOYSA-N 321.496 4.594 30 20 DJED Cc1ccc(CN(Cc2ccc(C#N)cc2)Cc2ccco2)s1 53076353 RHCBGUFQFVBBBS-UHFFFAOYSA-N 322.433 4.724 30 20 DJED C=CCC[C@@H](CC)N[C@@H](C)c1nc(-c2ccncc2)cs1 90045947 VSZXTBITWAQHJO-DZGCQCFKSA-N 301.459 4.601 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc(Br)cc2)s1 103044045 FHQKBFPEWQQUFR-YVMONPNESA-N 307.212 4.715 30 20 DJED C[C@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1cccc(C#N)c1 174357809 VODUPBGFCVHYLB-NWDGAFQWSA-N 302.780 4.763 30 20 DJED Cc1ccccc1[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)C(C)C 181741746 WQKCIAZWWCFRQE-UWJYYQICSA-N 322.452 4.945 30 20 DJED C=C(C)[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(F)c(F)c1 186446882 CCOVTDILZGZXRV-YJYMSZOUSA-N 312.363 4.804 30 20 DJED C[C@@H](NCc1cc(C#N)cs1)c1cc(Cl)ccc1Cl 189271279 QZBLXTJHBKLDEQ-SECBINFHSA-N 311.237 4.777 30 20 DJED C[C@H]1C[C@@H](C)C[C@H](C(=O)Nc2ccccc2SCCC#N)C1 248563752 MZHOQRKKQHXQOH-FICVDOATSA-N 316.470 4.703 30 20 DJED CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 254305168 CRNVPXJLSFXOAS-UHFFFAOYSA-N 305.337 4.584 30 20 DJED CCc1cccc(Nc2cc(Br)c(C#N)cc2F)c1 311417522 NACCJOJNEWUHIZ-UHFFFAOYSA-N 319.177 4.766 30 20 DJED O/C(=N/Cc1nc2ccccc2o1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 329101613 NBOGEPIKTGPKLA-RRFJBIMHSA-N 312.413 4.891 30 20 DJED CCO[C@H](C)c1ncc(/C(O)=N/[C@@H]2CCCC[C@@H]2CC)s1 330929844 ZBYMQPQKASWMKB-FRRDWIJNSA-N 310.463 4.514 30 20 DJED C[C@H](SCc1ccc(-n2ccnc2)cc1)c1cccc(C#N)c1 359064945 GOEIUCZJLQROBR-HNNXBMFYSA-N 319.433 4.738 30 20 DJED CC(C)CC[C@H]1CCCN1C(=O)Nc1ccc(C#N)cc1Cl 426130981 MOQSIULFFVCTDH-CQSZACIVSA-N 319.836 4.644 30 20 DJED N#C[C@H]1CC[C@H](NCC2(c3ccc(Cl)cc3Cl)CCC2)C1 442846148 OATASHQDORMYJN-JSGCOSHPSA-N 323.267 4.697 30 20 DJED CCc1cccc(NC(=O)CS[C@H](C)c2cccc(C#N)c2)c1 443162150 XXLKUWGIWBSELF-CQSZACIVSA-N 324.449 4.554 30 20 DJED CC[C@H](N[C@@H]1CCCOc2c(F)cccc21)c1ccc(C#N)cc1 447592960 OYZNZWIZUVVYCK-RBUKOAKNSA-N 324.399 4.652 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@H](c2cccc(F)c2)C2CCCC2)C1 463247107 UWSANVYQVLVENJ-CCKFTAQKSA-N 300.421 4.729 30 20 DJED C=C[C@@H](C)NC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 465172128 FWNCQPMRHHRZCZ-GFCCVEGCSA-N 323.421 4.659 30 20 DJED C=C[C@@H](CC(=O)N[C@H](C)CCCC(F)(F)F)c1ccccc1 494900541 KALWIHXHDKISIV-KGLIPLIRSA-N 313.363 4.584 30 20 DJED C[C@H](SCCOc1ccccc1C#N)c1ccc(F)cc1 498109636 CMXJYNNUDGACKK-ZDUSSCGKSA-N 301.386 4.571 30 20 DJED Cc1ccc2sc(C(=O)Nc3ccc(CC#N)cc3)cc2c1 519129846 QQGYBPAZEWGZQG-UHFFFAOYSA-N 306.390 4.528 30 20 DJED C=CC1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 524660989 CHVOJMNUNZGZFZ-HZPDHXFCSA-N 324.251 4.522 30 20 DJED C=C[C@H](CC(=O)N[C@H]1CCCC[C@H]1SCC)c1ccccc1 535376528 OVBIKHDRJPGYTQ-BPQIPLTHSA-N 317.498 4.527 30 20 DJED Cc1ccc([C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)C2CC2)cc1 565908756 KGNXFVUYHXFBGA-FGZHOGPDSA-N 316.448 4.985 30 20 DJED Cc1csc(NC(=O)C[C@@H](C)c2c[nH]c3ccccc23)c1C#N 571717762 CDUKEQFFWVDGOT-LLVKDONJSA-N 323.421 4.542 30 20 DJED C=CCN(C(=O)CCc1c[nH]c2c(C)cccc12)c1ccccc1 577026687 WVVKGIQAAGCLOO-UHFFFAOYSA-N 318.420 4.628 30 20 DJED CCCn1nc(C)c(/C=C\C(=O)c2ccccc2SC)c1C 588617979 OGGLTBHUMDFCAK-KHPPLWFESA-N 314.454 4.528 30 20 DJED CC(C)(C)Oc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 589342907 RMDHLBGLNTYLBB-HXUWFJFHSA-N 320.436 4.513 30 20 DJED Cc1ncc([C@H](C)Nc2ccc(C(F)(F)F)cc2C#N)s1 601227964 JSEHLEXQSQEHMJ-QMMMGPOBSA-N 311.332 4.515 30 20 DJED C=CCCCS[C@H](C)C(=O)N[C@@H](C)c1ccc(CC)cc1 609804924 WJSASXMOSDSKIM-LSDHHAIUSA-N 305.487 4.514 30 20 DJED CCCC[C@H]1CCCC1=NNc1oc(C(C)(C)C)nc1C#N 727257066 DBVKBZKFOBEUPC-LBPRGKRZSA-N 302.422 4.602 30 20 DJED CC(C)CC[C@@H]1CCCC1=NNc1oc(C(C)(C)C)nc1C#N 727257357 JOOSZMIRPMHMTA-ZDUSSCGKSA-N 316.449 4.848 30 20 DJED Cc1ccc(/C=C/C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1F 731488238 AEOXLKLUARPXRU-QPJJXVBHSA-N 319.719 4.592 30 20 DJED Cc1cc(/C=C2/Cc3ccccc3C2=O)ccc1Br 746394252 OYLRCGVSQMSACH-ZROIWOOFSA-N 313.194 4.580 30 20 DJED COc1cc(C(=O)/C=C\c2sccc2C)ccc1SC 747614663 LPOVVVSKZUXTOX-ALCCZGGFSA-N 304.436 4.683 30 20 DJED N#C[C@@H]1CCC[C@H](Nc2ccc(N3CCCCC3)c(Cl)c2)C1 765919425 CGCWRWCWNIWHTI-CABCVRRESA-N 317.864 4.825 30 20 DJED CCOc1ccc(N[C@H](C)c2cccc(C#N)c2)c2ncccc12 768258473 VDWYPXZIVJGARY-CQSZACIVSA-N 317.392 4.678 30 20 DJED Cc1ccc(-c2nc(/C=C/C(=O)c3occc3C)cs2)cc1 769783401 DSXXCJKHTRHUOM-BQYQJAHWSA-N 309.390 4.916 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1cscc1Cl 771861793 XBAUOAJVACVCAC-AATRIKPKSA-N 308.834 4.692 30 20 DJED C=CCN(C)C(=O)Nc1ccccc1SCc1ccccc1 779392946 OJHGEXDKSQKSEH-UHFFFAOYSA-N 312.438 4.629 30 20 DJED CCc1cnccc1C(C)=NNc1cc(Cl)cc(Cl)c1 790201796 LJLJTQRCTKFPQS-UHFFFAOYSA-N 308.212 4.787 30 20 DJED FC(F)(F)c1cccc(NN=C2CCC[C@H]2c2ccccn2)c1 794854610 JHNOFUFIOOWNGI-AWEZNQCLSA-N 319.330 4.836 30 20 DJED COc1cc(/C=C\C(=O)c2cccc3ccccc23)ccc1C#N 799494821 HNHMJHMIOZVZAU-BENRWUELSA-N 313.356 4.616 30 20 DJED N#Cc1ccccc1C(=O)/C=C/c1cc(C(F)(F)F)ccc1F 799499563 MZWTWLAQOPQECC-VMPITWQZSA-N 319.257 4.612 30 20 DJED CCCCCCCCCC(=O)NC(C)(C)c1c(C)noc1C 804865508 XMQOYMWCBVUNBX-UHFFFAOYSA-N 308.466 4.783 30 20 DJED O=C(/C=C/c1cc(F)ncc1F)c1cc(Cl)sc1Cl 806567172 FHGMRQMXZKVRPN-OWOJBTEDSA-N 320.147 4.624 30 20 DJED C#Cc1ccc(CN[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 809424115 KSBGIGMGPPAADH-ZDUSSCGKSA-N 303.327 4.538 30 20 DJED N#CCC1(OC(=O)CCCc2ccc3ccccc3c2)CCC1 810855280 GHFITZQYKXAPNJ-UHFFFAOYSA-N 307.393 4.542 30 20 DJED N#Cc1ccc2c(c1)C(=O)/C(=C\c1c(Cl)oc3ccccc13)C2 811696360 SQNVTHBNGRKAPQ-LCYFTJDESA-N 319.747 4.780 30 20 DJED CCC(=NNc1ccc2ccccc2n1)c1ccc(Cl)c(N)c1 814697383 LYDSKYRCGSRPAJ-UHFFFAOYSA-N 324.815 4.697 30 20 DJED C=CCC(C)(C)C(=O)N1CCC(c2ccnc3ccccc23)CC1 854758771 YFCMYNOINKEWRH-UHFFFAOYSA-N 322.452 4.543 30 20 DJED CCCCCCCC(=O)N1CCC[C@H]1c1ccc(OC)cc1 884920630 XXZQICMKDVQJDT-SFHVURJKSA-N 303.446 4.719 30 20 DJED CCCCCCCC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 913138551 AWMXCSDZLKKCMI-SFHVURJKSA-N 319.445 4.543 30 20 DJED COc1cccc(C=Nc2cccc(OCCC(C)C)c2)c1O 920755069 HBDJLJLMTGIIQI-UHFFFAOYSA-N 313.397 4.576 30 20 DJED C[C@H](CC(C)(C)C#N)N[C@H](C)c1ccc(-c2ccncc2)cc1 925196483 MWPYMHXRMKDPNN-HZPDHXFCSA-N 307.441 4.728 30 20 DJED CO[C@@H]1CCC[C@@H](Sc2nc(-c3ccccc3)ccc2C#N)C1 1165663242 ISSNZSOFZPBPFJ-IAGOWNOFSA-N 324.449 4.670 30 20 DJED CCC[C@@H](Cc1ccccc1)N[C@H]1CCc2cc(C#N)ccc21 1205650918 WVKGJXWJKRHBHQ-FPOVZHCZSA-N 304.437 4.547 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1cc(Cl)ccc1F 1459142410 XTLRUJQTVRDBBA-UHFFFAOYSA-N 310.155 4.892 30 20 DJED CC[C@@H](C)C[C@H](C)Nc1nc2c(c(C#N)c1C#N)CCCCCC2 1472707132 YXCFMOLNXNSRQD-CABCVRRESA-N 324.472 4.721 30 20 DJED CC(C)CN(CCO[C@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 1473247199 QYKYREKULKLARA-PXNSSMCTSA-N 314.473 4.616 30 20 DJED N#CCC[C@H](NC(=O)Nc1ccc2occc2c1)c1ccccc1 1476985505 MMZOGOJZHRMZOT-KRWDZBQOSA-N 319.364 4.599 30 20 DJED CC1(C)CC(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1524143016 SVOBVDAGOTWRDO-UHFFFAOYSA-N 320.392 4.725 30 20 DJED Cc1nc(Nc2cccc(-c3ccc(F)c(F)c3)c2)ccc1C#N 1612381218 GGPYRZABIVHGFJ-UHFFFAOYSA-N 321.330 4.951 30 20 DJED CC(C)CCc1nc(CSc2cccc(C#N)c2)cs1 1613584371 UQHLBQBGPJELMT-UHFFFAOYSA-N 302.468 4.896 30 20 DJED CCCN(Cc1ccc(C)cc1)c1ncc(Cl)c(C)c1C#N 1639614352 HTODBLRVOCXSIZ-UHFFFAOYSA-N 313.832 4.640 30 20 DJED CCC[C@H](C)[C@H]1CCCN1Cc1ccc(C#N)cc1OC(F)F 1642259005 QAVVHNWMHPYHNG-XJKSGUPXSA-N 322.399 4.560 30 20 DJED CC(C)(C)[C@H]1CN(Cc2cccc(C#N)c2F)c2ccccc21 1642917900 PMCZRQBVFNGTAB-KRWDZBQOSA-N 308.400 4.847 30 20 DJED CC1(C)[C@@H](c2ccccc2)CCN1Cc1ccc(Cl)cc1C#N 1643471989 SPNXAXIXICXATN-LJQANCHMSA-N 324.855 4.980 30 20 DJED Cc1c(F)ccc2c1N(Cc1ccc(C#N)cc1Cl)CCC2 1646240938 PDMOAMAXHDZJRR-UHFFFAOYSA-N 314.791 4.612 30 20 DJED CC(C)CN(CCCc1ccccc1)Cc1ccc(C#N)cc1 1657102933 GAMUOLOTDDGBNX-UHFFFAOYSA-N 306.453 4.649 30 20 DJED CCCC[C@H](C)N(CCCC)C(=O)NCC1CCC(C#N)CC1 1681932697 ZOVZZFIMYYJSED-AOCRQIFASA-N 321.509 4.707 30 20 DJED CCCCc1ccc(C(=O)/C=C/c2cc(C(=O)O)cs2)cc1 1776806017 SRANFZFVSRGTBS-MDZDMXLPSA-N 314.406 4.685 30 20 DJED C[C@@H](NCc1c(Cl)cccc1Cl)c1ccc(C#N)cc1 35256348 KMDHCAWCBFSQRG-LLVKDONJSA-N 305.208 4.716 30 20 DJED CN(C(=O)c1cccc(C#N)c1)c1ccccc1-c1ccccc1 64381998 JPNBDEUODBNGIR-UHFFFAOYSA-N 312.372 4.502 30 20 DJED N#Cc1ccc(Cl)cc1OCc1ccc(C(F)(F)F)cc1 128997968 ZBVBLLURTMQKOR-UHFFFAOYSA-N 311.690 4.809 30 20 DJED N#Cc1ccc(CNc2cc(Cl)cc(C(F)(F)F)c2)cc1 169044835 SVBNGWRLFPATLJ-UHFFFAOYSA-N 310.706 4.843 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2cc(C)n(C(C)C)c2C)cc1 171029361 DUDHMPDOHKMZHL-UHFFFAOYSA-N 323.440 4.555 30 20 DJED C[C@@H](NCCCCC(C)(C)C#N)c1cccc(OC(F)F)c1 278634762 GQTKKAUKGIUCKE-CYBMUJFWSA-N 310.388 4.659 30 20 DJED N#CC1(CCCSCc2ccccc2Cl)CCOCC1 281016136 PCIVRBPHJZYIGJ-UHFFFAOYSA-N 309.862 4.674 30 20 DJED CC(C)[C@@H](Nc1ncccc1C#N)c1ccc(Cl)cc1F 302044801 JYZMLTFXASQPPA-OAHLLOKOSA-N 303.768 4.555 30 20 DJED CCOc1cccc([C@@H](C)Nc2ccc(C#N)c(Cl)c2)c1 303480678 OMZOQDFBVBMGSG-GFCCVEGCSA-N 300.789 4.783 30 20 DJED Cc1n[nH]c(C)c1[C@H](C)/C(O)=N/[C@@H]1CCCCC12CCCC2 329723275 FLGQEOLFSQAVBC-SWLSCSKDSA-N 303.450 4.590 30 20 DJED Cc1cc(/C(O)=N/[C@H](C#N)C(C)(C)C)c(C)n1C1CCCCC1 331186373 JAXMXVUALQVVAF-QGZVFWFLSA-N 315.461 4.853 30 20 DJED CN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H]1CCC(C)(C)C1 431807811 AMIAIGDQEZQZKX-INIZCTEOSA-N 313.445 4.530 30 20 DJED CN(Cc1ccccc1N[C@H]1CC[C@H](C#N)C1)C1CCCCC1 442869687 JIVMASVIOTVXGL-WMZOPIPTSA-N 311.473 4.555 30 20 DJED C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CCCCC(C)(C)C#N 444636575 DTHCKGVPSZWTOZ-DOTOQJQBSA-N 302.437 4.724 30 20 DJED C[C@H](c1ccccc1)N(CCCSCC#N)Cc1ccccc1 463230316 HFBFKXABJCNWTM-GOSISDBHSA-N 324.493 4.897 30 20 DJED C=C(C)CN(C)C(=O)N[C@H](C)c1ccc(Cl)c2ccccc12 463260593 VVOQXKKUBPGLKS-CYBMUJFWSA-N 316.832 4.772 30 20 DJED C=C[C@H](C)NC(=O)Nc1ccccc1-c1nc2ccccc2s1 465178332 KVQIQVKFPSZOJE-LBPRGKRZSA-N 323.421 4.659 30 20 DJED C=C[C@@H](CC(=O)N1Cc2ccccc2C[C@H]1CC)c1ccccc1 466302908 MGHVHWAQUXAMDN-LAUBAEHRSA-N 319.448 4.710 30 20 DJED C=C(C)COc1cccc(NC(=O)N2CC[C@@H](CC(C)C)C2)c1 467709574 XKOSCTFNYXRILL-INIZCTEOSA-N 316.445 4.541 30 20 DJED CCCC[C@@H]1CCC[C@H]1NC(=O)C[C@H](CC#N)c1ccccc1 475599349 HNVDKEIUHRYLBG-CEXWTWQISA-N 312.457 4.549 30 20 DJED Cc1cccc2cc(C(=O)Nc3ccc(Cl)c(C#N)c3)oc12 488868179 QDVADWSERKEEOB-UHFFFAOYSA-N 310.740 4.519 30 20 DJED Cc1ccc(C(C)C)cc1OCCCC1(C#N)CCOCC1 499907834 LCUIHDQMOPQGHK-UHFFFAOYSA-N 301.430 4.598 30 20 DJED CC(C)(C)CCC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 505481971 VVRGISFFAPRESG-GFCCVEGCSA-N 313.228 4.501 30 20 DJED CCCCc1oc2ccccc2c1CN(C)C[C@H](C#N)CCC#N 514849629 OQWXBLSKENUOBO-INIZCTEOSA-N 323.440 4.651 30 20 DJED CC(C)(c1ccccc1)c1noc(-c2ccc(C#N)c(Cl)c2)n1 517202101 RFEOQKOPUVILLI-UHFFFAOYSA-N 323.783 4.588 30 20 DJED N#CCc1ccc(CNc2ccc3nc(C4CC4)sc3c2)cc1 541303065 LTINHKUTBOLWHR-UHFFFAOYSA-N 319.433 4.852 30 20 DJED C=CCC(C)(C)c1noc([C@H](C)Oc2ccccc2Cl)n1 551143939 RGOHOPOGXJZGPK-NSHDSACASA-N 306.793 4.717 30 20 DJED CC[C@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(Cl)c1 551557860 MKSSKELDNRVPJG-SFHVURJKSA-N 310.828 4.942 30 20 DJED C=CCC(C)(C)c1noc([C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)n1 556363855 OXSHMJUKYIWOPV-GHMZBOCLSA-N 322.330 4.612 30 20 DJED C=CC1CCN(C(=O)Nc2cc(Cl)ccc2OC(C)C)CC1 573647097 GESUHIZUHUYYIP-UHFFFAOYSA-N 322.836 4.557 30 20 DJED C[C@@H](NCc1ccc(C(C)(F)F)cc1)c1ccc(C#N)cc1F 584282325 ZEWSEVNXWXLARP-GFCCVEGCSA-N 318.342 4.660 30 20 DJED CCc1ccc(-c2noc(C[C@@H](CC#N)c3ccccc3)n2)cc1 584316436 OAFCIVKQVMDTQG-GOSISDBHSA-N 317.392 4.539 30 20 DJED CC[C@@H](C)Oc1ccc(-c2noc(CCCCCC#N)n2)cc1 589128265 SSIOBSLFRUINFE-CQSZACIVSA-N 313.401 4.540 30 20 DJED CCc1cccc(CC)c1NC(=O)[C@H](C)Cc1ccc(C#N)cc1 593942138 GLNLMKHCVHHKMY-OAHLLOKOSA-N 320.436 4.500 30 20 DJED N#CC[C@@H]1CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1 596445680 CIQGDQMFOCNBLO-INIZCTEOSA-N 319.408 4.511 30 20 DJED C[C@H](CC1(C#N)CCOCC1)Nc1cc(Cl)cc(Cl)c1 602607549 YJPZDSBFJZAHNZ-LLVKDONJSA-N 313.228 4.504 30 20 DJED CCCCN(C(=O)Nc1cccc(C#N)c1)[C@H](C)c1ccccc1 603842149 KSSLPARVIRKFBY-MRXNPFEDSA-N 321.424 4.953 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)CC1CCCC1 603967989 DYJWBZUVPBREPG-UHFFFAOYSA-N 310.422 4.806 30 20 DJED CCc1sc(C(=O)Nc2sc(C)c(CC)c2C#N)cc1C 609033322 SBCHZKKYFNRQDJ-UHFFFAOYSA-N 318.467 4.675 30 20 DJED C[C@H]1CCC[C@H](C(=O)N(Cc2ccco2)c2ccccc2C#N)C1 610171035 GJSOSJSHIYPGPJ-HOTGVXAUSA-N 322.408 4.511 30 20 DJED CCc1cc(Br)ccc1N[C@@H](C)CC(C)(C)C#N 695812752 QVSLQQPCHXZKMF-NSHDSACASA-N 309.251 4.752 30 20 DJED CC(=NNc1ccc(OC(F)F)cc1)c1cc(C)sc1C 726429815 RMOTZSCBUSIPBB-UHFFFAOYSA-N 310.369 4.802 30 20 DJED COc1ccc(C(=O)/C=C/c2cnc(-c3ccccc3)s2)cc1 727264752 ZQPWSOFBNNAREP-VAWYXSNFSA-N 321.401 4.715 30 20 DJED Cc1ccc(F)c(/C=C/C(=O)c2cccc(OC(F)F)c2)c1 734981679 UGWJNQJODLMRPV-SOFGYWHQSA-N 306.283 4.632 30 20 DJED C=C(Cl)CNC(=O)c1ccc(-c2ccc(Cl)cc2)s1 736241012 WLDJBPPCNDGYQU-UHFFFAOYSA-N 312.221 4.551 30 20 DJED CCCCC[C@H](C)CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 742646370 MRTJXPHOGQAOGA-XJKSGUPXSA-N 306.837 4.627 30 20 DJED CCC/C=C\C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 742964137 YACGBUAHTKZWLZ-WTKPLQERSA-N 324.355 4.784 30 20 DJED Clc1ccc(OC2CCCC2)c(C=NNC2CCCC2)c1 743438215 KTLVMYXJLPAHGC-UHFFFAOYSA-N 306.837 4.528 30 20 DJED C=CC[C@@H](N[C@H](CC)c1ccc(F)cc1F)c1ccncc1 766018481 IAQOIEVFWZCJQD-QZTJIDSGSA-N 302.368 4.718 30 20 DJED C=CC[C@@H](N[C@@H](C)c1ccc2ccccc2n1)c1ccncc1 766019734 MVAZYUGVXVDZDM-HNAYVOBHSA-N 303.409 4.598 30 20 DJED Cc1cc(CN[C@@H](C)c2csc3ccccc23)ccc1C#N 767689082 LHTGQPVTZDBQIF-AWEZNQCLSA-N 306.434 4.932 30 20 DJED CCOc1cccc(/C=N/[C@@H](CC(C)(C)C)C(F)(F)F)c1O 777873557 OLQPLGCHJVTTQQ-NPNVKNKFSA-N 317.351 4.577 30 20 DJED C#CCCCCCC(=O)N[C@H]1CCSc2ccc(Cl)cc21 779757387 DWXYCOONTQYFNU-HNNXBMFYSA-N 321.873 4.577 30 20 DJED C=CC[C@@H](NC[C@@H](C)c1cccc(Cl)c1)c1ccncc1 783636873 DOGSJDIAGYAHKC-RDTXWAMCSA-N 300.833 4.746 30 20 DJED C=CCC1(C(=O)OCc2csc(-c3cccs3)n2)CCC1 791561022 SWAAANYKNFIRMJ-UHFFFAOYSA-N 319.451 4.661 30 20 DJED CC(=NNc1nncc2ccccc12)[C@@H](C)c1ccc(Cl)cc1 794467096 YASZPNACFTUHCA-GFCCVEGCSA-N 324.815 4.875 30 20 DJED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cc(Cl)cs2)s1 797570946 KQEMBPXEMLFHGS-SECBINFHSA-N 324.858 4.646 30 20 DJED CC(C)(C#N)[C@@H]1CCCC1=NOc1ccccc1C(F)(F)F 814887172 GGHGDAZETRDIGB-LLVKDONJSA-N 310.319 4.790 30 20 DJED C=CCC1(c2nc(COc3ccc(F)cc3)no2)CCCCC1 904668381 OVJIKZCPHNODDM-UHFFFAOYSA-N 316.376 4.566 30 20 DJED Cc1ccc(NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 916250487 HWYGAXSLUIFODP-UHFFFAOYSA-N 321.336 4.609 30 20 DJED N#Cc1cccc(OCCSCc2ccc(Cl)s2)c1 917955047 VVKULDJIDOHAKW-UHFFFAOYSA-N 309.843 4.585 30 20 DJED O=C(/C=C1/COc2ccc(F)cc21)c1cc(Cl)ccc1Cl 918154384 LQZCFADSPYTGCY-UITAMQMPSA-N 323.150 4.791 30 20 DJED CCCCCCCC(=O)O[C@@H](C)c1nc(-c2cccs2)no1 919222146 KCTPUXGJMKDADY-LBPRGKRZSA-N 322.430 4.763 30 20 DJED CCCCCCC[C@@H](C)CNC(=O)c1scnc1Cl 919754896 RYENJDMPITVXSA-LLVKDONJSA-N 302.871 4.523 30 20 DJED C=CCOc1cccc(NC(=S)Nc2cccc(CC)c2)c1 920074518 CDNGOJUZVPLRSQ-UHFFFAOYSA-N 312.438 4.623 30 20 DJED CCOc1ccc(/C=C\C(=O)c2ccc(C)s2)cc1OCC 920991565 VHUAWASDDSEMGR-CLFYSBASSA-N 316.422 4.750 30 20 DJED C=C(C)CCC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 1122457452 QIHDRBIHEKBTIE-OAHLLOKOSA-N 310.422 4.651 30 20 DJED N#C[C@@H]1CCC[C@@H](OC(=O)CCc2ccc(-c3ccccc3)o2)C1 1129607729 TWKBCWSKBSLFBG-CRAIPNDOSA-N 323.392 4.505 30 20 DJED CN(Cc1cccc(C#N)c1F)[C@H]1CCCC[C@H]1c1ccccc1 1307844222 QQKADTRATPPHAG-PMACEKPBSA-N 322.427 4.856 30 20 DJED C[C@H]1CCC[C@H]([C@H](C)NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 1310043332 PLRFVMOTQVOWHR-AVGNSLFASA-N 319.836 4.548 30 20 DJED CCC[C@H](CC)NC(=O)c1ccccc1Oc1ccccc1C#N 1357339032 XAFLRFFYSXMDKM-INIZCTEOSA-N 322.408 4.659 30 20 DJED CC[C@@H](OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccc(C)cc1 1358414858 LMTPIMCJXLNECT-XUVXKRRUSA-N 319.404 4.665 30 20 DJED CC1(C)CCC(CC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 1436853630 YCMWLYZVYNESKR-IBGZPJMESA-N 324.468 4.658 30 20 DJED CCC(C#N)(CC)C(=O)NCC(C)(C)c1ccc2ccccc2c1 1438204013 PKYQRBSZGHUQRA-UHFFFAOYSA-N 322.452 4.564 30 20 DJED Cc1ccc(C#N)c(N[C@@H]2C[C@@H](C)C[C@@H](c3ccccc3)C2)n1 1458430084 DKYDKQOZXOHHSP-GDIGMMSISA-N 305.425 4.646 30 20 DJED CCC1(CC)CN(CCOc2ccccc2C#N)c2ccccc21 1459797713 PRZOSHVMGRXZGP-UHFFFAOYSA-N 320.436 4.515 30 20 DJED CC[C@H](CC(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccccc1 1515135182 BKJRQECCWGSXDP-NVXWUHKLSA-N 307.393 4.746 30 20 DJED N#CC1(CC(=O)O[C@H]2CCCC[C@H]2C(F)(F)F)CCCCC1 1523913648 NTLPTKRPTDTFSG-OLZOCXBDSA-N 317.351 4.515 30 20 DJED CC[C@H](CC1CCCC1)C(=O)N[C@H](CCC#N)c1ccccc1 1526439475 LZZBYDKBVQOFEC-IEBWSBKVSA-N 312.457 4.754 30 20 DJED CC(C)(C)C1CCC(OC(=O)c2c(F)cc(C#N)cc2F)CC1 1531907300 NHJMTYLKNRVCFM-UHFFFAOYSA-N 321.367 4.598 30 20 DJED Cc1nc(N(C)C[C@@H](C)C2CCCCC2)c(Cl)cc1C#N 1559255226 LVSUHGKALMHLFT-GFCCVEGCSA-N 305.853 4.568 30 20 DJED C[C@@H](CCC#N)CN[C@@H](C)c1cccc(OCc2ccccc2)c1 1560803164 OECQFTPTLKTKAZ-ROUUACIJSA-N 322.452 4.856 30 20 DJED Cc1cccc(C)c1[C@@H]1CCCN1C(=O)CC1(C#N)CCCCC1 1586022686 UBQRYKAMRPNXMI-SFHVURJKSA-N 324.468 4.831 30 20 DJED Cc1nc(N2CC(C)(C)[C@@H]2c2ccccc2)c(Cl)cc1C#N 1642140588 VWYOHRISDCFYGT-INIZCTEOSA-N 311.816 4.503 30 20 DJED CC[C@H]1Cc2ccccc2CN1Cc1ccc(C#N)cc1Cl 1642633556 JAJFJSDJLUUKKO-SFHVURJKSA-N 310.828 4.549 30 20 DJED CC(C)(C)OCc1cccc(Nc2nc(C#N)c(Cl)s2)c1 1643256633 PEWFAMIQMYJDIO-UHFFFAOYSA-N 321.833 4.727 30 20 DJED Cc1ccc([C@H]2[C@@H](C)CCCN2c2cccc(F)c2C#N)cc1 1651574128 FJFVVKNZBVPIBF-MGPUTAFESA-N 308.400 4.983 30 20 DJED C=C(CNC(=O)N(CC(C)(C)C)CC(C)(C)C)c1ccccc1 1681774956 UJLVWNSUJIRHDB-UHFFFAOYSA-N 316.489 4.804 30 20 DJED C=CC[C@@]1(C(=O)O)CCCN([C@@H](C)c2cccc3ccccc23)C1 1776153988 RAPVKPKLNVGLEV-HRAATJIYSA-N 323.436 4.644 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)c2csc3c2CCCC3)cc1 25437821 IMLCHUYWPUGRHT-UHFFFAOYSA-N 324.449 4.680 30 20 DJED N#CCc1cccc(C(=O)N2CCCCC[C@H]2c2ccccc2)c1 78967140 QXPSUWNOBVFESC-FQEVSTJZSA-N 318.420 4.510 30 20 DJED Cc1cc(C)c(-c2nnc(SCCC(C)(C)C#N)o2)c(C)c1 78971747 IBFQGFAZNXSZMR-UHFFFAOYSA-N 315.442 4.694 30 20 DJED CCCOc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)c(C)c1 120919181 XLCWAGLEHPBBNP-INIZCTEOSA-N 324.424 4.687 30 20 DJED C[C@H](C#N)Oc1ccccc1NC1CCC(C(F)(F)F)CC1 124048246 NQUYTQVOAKJIQI-PNESKVBLSA-N 312.335 4.510 30 20 DJED Cc1nc(Oc2ccc(C#N)cc2Cl)c2c(C)csc2n1 133020331 GQAVNNFKIXVQNH-UHFFFAOYSA-N 315.785 4.626 30 20 DJED C=C[C@H](CC(=O)Nc1ccc(-c2cnco2)cc1)c1ccccc1 155725043 KSZZEVHWKCARLD-OAHLLOKOSA-N 318.376 4.640 30 20 DJED Cc1ncsc1/C=C/C(=O)c1cc2cc(Cl)ccc2o1 172816463 RUAJIIFCIFUPIP-HWKANZROSA-N 303.770 4.747 30 20 DJED CC[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(F)cc1F 174358128 UZUBHWHWMOXUAD-XIKOKIGWSA-N 300.352 4.638 30 20 DJED COc1ccccc1-c1nc(CSCCCCC#N)cs1 178389226 QPZCOEBTQINTQK-UHFFFAOYSA-N 318.467 4.746 30 20 DJED C=C[C@H](CC(=O)N(C1CC1)[C@@H](C)c1ccco1)c1ccccc1 179077297 HFYPWQWQHIQQLC-JKSUJKDBSA-N 309.409 4.692 30 20 DJED C=C(C)[C@@H](N[C@H](C)c1ccc(C)cc1O)c1ccc(F)c(F)c1 186446424 HSFNIVAJMFKWEM-BFUOFWGJSA-N 317.379 4.947 30 20 DJED N#C[C@H](NC(=O)CC/C=C\c1ccccc1)c1ccccc1Cl 255715117 IRPIWJIWCSOZSV-JDTSAYOFSA-N 324.811 4.514 30 20 DJED CC[C@H](NCC(C)(C)CCC#N)c1ccc(OC(F)F)cc1 348235519 ZWRWNTUXAVOGJQ-HNNXBMFYSA-N 310.388 4.659 30 20 DJED COC(=O)c1cc([C@H](C)SCCCCC(C)(C)C#N)oc1C 431078514 GHNRZLBUEVTHAE-ZDUSSCGKSA-N 323.458 4.889 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1c(CC)cc(C)cc1CC 435181679 NLDXOEFCMPBYRJ-QGZVFWFLSA-N 300.446 4.692 30 20 DJED CC[C@@H](c1ccccc1)N(CC(C)C)C(=O)c1cc(C#N)oc1C 435462802 DPBXGYHZOSOQIP-IBGZPJMESA-N 324.424 4.709 30 20 DJED C[C@@H](c1ccccc1)N(C(=O)CC(C)(C)C#N)c1ccccc1 447396579 LCBRHOWOBZEOKA-INIZCTEOSA-N 306.409 4.721 30 20 DJED CC[C@@H](NCCCO[C@H](C)c1ccccc1)c1ccc(C#N)cc1 447516903 QNSOFZGEDPXRNM-DYESRHJHSA-N 322.452 4.767 30 20 DJED C[C@@H]1CC=C(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 455584670 IARPSMCOHUVFNQ-KGLIPLIRSA-N 314.454 4.766 30 20 DJED C=CCOc1cccc(NC(=O)[C@H](c2ccccc2)C(C)C)c1 463155621 ORLINYWNIVQXHW-IBGZPJMESA-N 309.409 4.630 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@]2(CCCc3ccccc32)C1 467370454 OSIIXLHVUQOMSS-JOCHJYFZSA-N 323.480 4.652 30 20 DJED CCCn1c(SCCCCC#N)nc2cc(Cl)ccc21 475742441 QAHDENYVJKBECA-UHFFFAOYSA-N 307.850 4.886 30 20 DJED C=CCC1(C(=O)Nc2ccc(CCC(F)(F)F)cc2)CCC1 479141539 HFMCYWAPIIRBBF-UHFFFAOYSA-N 311.347 4.866 30 20 DJED C=CCCCC(=O)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 479827782 KHEDATPZSZXKSS-MRXNPFEDSA-N 323.436 4.896 30 20 DJED C=CCCC1(C(=O)Nc2ccccc2CCC(F)(F)F)CC1 483844055 YEOWPCLKMQQODA-UHFFFAOYSA-N 311.347 4.866 30 20 DJED C=CCC[C@H](C(=O)Nc1ccccc1C(C)=O)c1ccccc1 487637519 PNBJMEWACCPIQP-SFHVURJKSA-N 307.393 4.578 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc(OCC)c(F)c1)c1ccccc1 488693074 UUCIXUXXILUEEK-MRXNPFEDSA-N 313.372 4.523 30 20 DJED N#Cc1csc(CN2CCC[C@@H]2c2ccc(Cl)cc2)c1 507172005 YMXAVTXOQDDDNM-MRXNPFEDSA-N 302.830 4.610 30 20 DJED C=C(C)CN(C)C(=O)c1cccc(F)c1Sc1ccccc1 511485663 ARXSTIPRMFCQKG-UHFFFAOYSA-N 315.413 4.625 30 20 DJED Cc1cc(NC(=O)C[C@H](CC#N)c2ccccc2)ccc1C1CC1 527259069 XGCRTMYWNHTAQL-SFHVURJKSA-N 318.420 4.899 30 20 DJED C[C@H](N[C@H]1CCCc2ccc(Cl)cc21)c1ccc(C#N)cc1 534235599 OFAWVNKDLPQINX-DJJJIMSYSA-N 310.828 4.940 30 20 DJED C=CCOc1ccccc1CN[C@H](c1ccc(OC)cc1)C1CC1 540299397 DCSZRIQTAXVVJW-NRFANRHFSA-N 323.436 4.501 30 20 DJED CCCCSc1ccc(Cl)cc1C(=O)N[C@@H](C#N)CCC 542528760 UZKSJICOWVMZOS-CYBMUJFWSA-N 324.877 4.654 30 20 DJED CCCN(Cc1ccc(C#N)cc1F)[C@@H]1CCc2ccccc21 554181372 YGGOHDMWNDVHCB-HXUWFJFHSA-N 308.400 4.597 30 20 DJED CC(C)(C)c1ccc([C@@H]2CCCN2Cc2ccc(C#N)cn2)cc1 565634525 CGLQHJKGRIALTI-FQEVSTJZSA-N 319.452 4.588 30 20 DJED Cc1cc(C(=O)N(CC#N)C2CCCC2)sc1-c1ccccc1 576289031 PXCYTXINSQIJSI-UHFFFAOYSA-N 324.449 4.632 30 20 DJED CC(C)c1ccc2occ(C(=O)N3CCC(CCC#N)CC3)c2c1 577756124 RQCWCKAMMUDZGK-UHFFFAOYSA-N 324.424 4.712 30 20 DJED C=CC[C@H]1N(C(=O)CCc2ccc(C)s2)CCCC1(C)C 578104916 ZLGQJNVGYRVDNS-MRXNPFEDSA-N 305.487 4.582 30 20 DJED C[C@H](NCc1ccc(CC#N)cc1)c1cccc(C(F)(F)F)c1 581630450 MFLMGVSPIXMWKB-ZDUSSCGKSA-N 318.342 4.622 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccccc1-c1cccs1 591485571 OJMLBXZQEZYENX-UHFFFAOYSA-N 300.427 4.845 30 20 DJED CC(C)(C#N)CCOc1cnc2c(C(F)(F)F)cccc2c1 593237686 QQYMBHHZPVHAOW-UHFFFAOYSA-N 308.303 4.572 30 20 DJED CCC(CC)CN(CCC#N)C(=O)C[C@@H](CC)c1ccccc1 609188610 KEGMEWRDADFVLD-GOSISDBHSA-N 314.473 4.749 30 20 DJED N#Cc1csc(CNc2ccc(-c3cnc(C4CC4)o3)cc2)c1 610910233 WCDFREKMKDLZAZ-UHFFFAOYSA-N 321.405 4.764 30 20 DJED CC(C)(C)c1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 618742972 UJVMMKIEPPTUJX-FQEVSTJZSA-N 304.437 4.633 30 20 DJED CCCOc1ccc(/C=C2\Cc3ccc(C)cc3C2=O)cc1OC 730948724 KTWDBSINUOVWHO-GZTJUZNOSA-N 322.404 4.615 30 20 DJED O=C(/C=C\c1cnc2ccc(Cl)cn12)c1ccc(Cl)s1 737444895 VJRFZDAXWLRBPC-IHWYPQMZSA-N 323.204 4.599 30 20 DJED COCc1ccc(/C=C\C(=O)c2ccc(OC(C)C)cc2)cc1 741848939 RGJKCMWQFSQTAD-JYRVWZFOSA-N 310.393 4.516 30 20 DJED CC(C)[C@H](Nc1snc(Cl)c1C#N)c1ccc(F)cc1 749260564 KELBWAOESMDNAW-LBPRGKRZSA-N 309.797 4.616 30 20 DJED O=C1/C(=C/c2ccc(O)cc2)Cc2cc(Cl)cc(Cl)c21 764431800 FZJKZPQQCSUVLQ-VZUCSPMQSA-N 305.160 4.521 30 20 DJED Cc1ccccc1[C@@H](CC(F)(F)F)/N=C\c1ccccc1O 766283034 GGFWTGAISUPVMS-ZGFXFUDXSA-N 307.315 4.813 30 20 DJED Cc1cncc(C(=O)/C=C/c2cc(C)c(OC(F)F)c(C)c2)c1 767365453 CGZJLPJFWDVEJC-SNAWJCMRSA-N 317.335 4.504 30 20 DJED CC(C)(C#N)CCCCOC(=O)CCc1cccc(Cl)c1 768537393 CQTVBWCTEPTYTK-UHFFFAOYSA-N 307.821 4.536 30 20 DJED C=C(C)[C@H](NC(=O)/C=C/C(=C/C)CC)c1ccc(F)c(F)c1 772317791 AMBBCHSGLDJVGY-AAHJAPPCSA-N 305.368 4.611 30 20 DJED C#CCCCCC(=O)Nc1ccc(Br)cc1C(C)C 773541843 FETOKCMPNMDVNW-UHFFFAOYSA-N 322.246 4.705 30 20 DJED O=C(/C=C/c1cccc(C(=O)O)c1Cl)c1cccc(Cl)c1 787167058 CZTUCUABXKHBPI-BQYQJAHWSA-N 321.159 4.588 30 20 DJED COc1cc(NN=Cc2c(F)cccc2Cl)ccc1Cl 788471965 LXGGWMAGUVHHKK-UHFFFAOYSA-N 313.159 4.587 30 20 DJED O=C(/C=C\c1csc(-c2ccc(F)cc2)n1)c1cccs1 796973231 BFJCENXIOJRLDM-FPLPWBNLSA-N 315.394 4.907 30 20 DJED C#CC[C@H](N[C@H](CC)c1cccc(Cl)c1O)c1ccccc1 806149122 PNJCKGJVNILVMS-MSOLQXFVSA-N 313.828 4.851 30 20 DJED Cc1sc(NC(=O)/C=C/c2ccc(Cl)s2)c(C#N)c1C 821759829 KNSWPTAHVRDEHT-GQCTYLIASA-N 322.842 4.603 30 20 DJED O=C(/C=C\c1ccc(O)cc1)c1ccc(N2CCCCCC2)cc1 916132832 SVXVTJRYUFHNHM-AUWJEWJLSA-N 321.420 4.669 30 20 DJED CCc1cccc2c(/C=C/C(=O)c3ccc(OC)cc3)c[nH]c12 916137110 LAUAQVGNUGWPRU-FMIVXFBMSA-N 305.377 4.635 30 20 DJED COc1cc(C#N)cc(Cl)c1OC(=O)C[C@H](C)CC(C)(C)C 917601192 LSAHGUBGEWKFCS-NSHDSACASA-N 323.820 4.588 30 20 DJED N#Cc1cccc(-c2nnc(-c3cc(Cl)ccc3Cl)o2)c1 1117253392 JCPPMMXTPZGDFW-UHFFFAOYSA-N 316.147 4.582 30 20 DJED Cc1ccc(C(=O)N[C@@H](C)c2cccc3ccccc23)cc1C#N 1124066019 LRQSLYXMWMXVHV-HNNXBMFYSA-N 314.388 4.511 30 20 DJED CCc1ccc([C@H](C#N)N(C)C(=O)CC2(C)CCCCC2)cc1 1129379761 QVFAWFIPKSQFIC-SFHVURJKSA-N 312.457 4.633 30 20 DJED Cc1nc(C#N)cc(N[C@H](c2ccc(C(C)(C)C)cc2)C(C)C)n1 1163139272 DZRKVUSWFYGURA-IBGZPJMESA-N 322.456 4.763 30 20 DJED COc1cc(C#N)ccc1CN[C@H](CC(C)(C)C)c1ccccc1 1168578299 AGNRJWAYXGWQPG-LJQANCHMSA-N 322.452 4.834 30 20 DJED CC(C)[C@H]1CCc2ccccc2[C@@H]1NCc1ccc(C#N)c(F)c1 1180623110 MTXSSZCTKQBJOZ-WIYYLYMNSA-N 322.427 4.747 30 20 DJED C[C@H](CCC#N)CN(CCc1ccc(Cl)cc1)CC1CC1 1204651215 MPZGYQUHIVEFSA-OAHLLOKOSA-N 304.865 4.534 30 20 DJED C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC[C@H](C)CC3)c2C#N)C1 1264129754 VIUKKXMHRJXGLQ-JHJVBQTASA-N 316.470 4.509 30 20 DJED CC(C)CN(C(=O)C[C@@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 1264412466 FUDHFUFSAWXGTC-AEFFLSMTSA-N 312.457 4.764 30 20 DJED C[C@H]1CC(C)(C)N(C(=O)c2cc(C#N)ccc2F)c2ccccc21 1266774264 SRQGZJDPDXMIGN-ZDUSSCGKSA-N 322.383 4.630 30 20 DJED CCCCCCCCCN(C)C(=O)c1ncc(Cl)s1 1321016867 AGPFHZJVPZNKFB-UHFFFAOYSA-N 302.871 4.619 30 20 DJED N#Cc1cccc(NC(=O)C2=C(c3ccccc3)CCCC2)c1 1350648458 OWOUZZTUBKEFQZ-UHFFFAOYSA-N 302.377 4.525 30 20 DJED Cc1cccc2c(C(=O)O[C@@H](C)c3cccc(C#N)c3)coc12 1355926125 WMRLEEGBRYRNCA-ZDUSSCGKSA-N 305.333 4.531 30 20 DJED Cc1c([C@@H](C)NCCc2ccc(C#N)cc2)sc2ccccc12 1473360195 KKKSZAIIKFQIEL-OAHLLOKOSA-N 320.461 4.975 30 20 DJED C[C@H](C(=O)Nc1cc2ccccc2cc1C#N)c1cccc(F)c1 1525266181 QKOTVAWSDOCKCC-ZDUSSCGKSA-N 318.351 4.593 30 20 DJED Cc1cc(CN[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)ccc1C#N 1620971510 PHEQVNVIPHDZIN-PXNSSMCTSA-N 324.855 4.946 30 20 DJED N#Cc1cnc(N[C@@H](CC2CCC2)c2ccccc2)c(Cl)c1 1642515902 IUQWREFVVXPJHH-KRWDZBQOSA-N 311.816 4.950 30 20 DJED C=C(Cl)CN1CCC[C@H]1c1ccc(Br)c(C)c1 1654303457 STFTUOANVBZRBF-AWEZNQCLSA-N 314.654 4.647 30 20 DJED Cc1ccc([C@H](CC(F)(F)F)N[C@@H]2CCC[C@H](C#N)C2)cc1 1659340760 BWAVZDXNVMDSNC-IMJJTQAJSA-N 310.363 4.661 30 20 DJED CC(C)C[C@H]1CCCC(=NNc2ccc(F)c(C(=O)O)c2)C1 1776062946 SSCHABMPCBLJIH-GFCCVEGCSA-N 306.381 4.528 30 20 DJED Cc1cc(SCc2cc(C#N)ccc2F)nc2ccccc12 11317186 YDDFGOZANFGXBG-UHFFFAOYSA-N 308.381 4.846 30 20 DJED C=CCCC(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1 102226214 WWAILBWMQDEBQK-GFCCVEGCSA-N 311.347 4.724 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)C1=CCCCCC1 131160901 OGVSSUUFXRILGC-CQSZACIVSA-N 314.454 4.910 30 20 DJED CC(=O)c1ccc(NCc2ccccc2C(C)(C)C#N)cc1C 135096052 CANSKSLZJBJYCR-UHFFFAOYSA-N 306.409 4.611 30 20 DJED CSc1ccc(NCc2cccc(OCCCC#N)c2)cc1 155788711 NVRGGNDKXOVYGJ-UHFFFAOYSA-N 312.438 4.703 30 20 DJED C[C@H](c1ccccc1)N(CCCCC#N)Cc1ccccc1O 176680864 WVUHRFKUUFXPNQ-QGZVFWFLSA-N 308.425 4.649 30 20 DJED Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(OCC#N)cc1)CCC2 180540438 WPRZOTFAYAZAPF-IIBYNOLFSA-N 320.436 4.626 30 20 DJED C[C@H](SCc1nnc(-c2ccccc2)o1)c1cccc(C#N)c1 190901622 BMAJBUKKMIXBGG-ZDUSSCGKSA-N 321.405 4.603 30 20 DJED Cc1ccccc1CSc1ccc(C#N)c(Br)c1 228253860 KOZQEVINLWTZDH-UHFFFAOYSA-N 318.239 4.922 30 20 DJED CC(C)(C#N)CCCCSc1ncccc1Br 232525168 QTCPFIRGTPEYAV-UHFFFAOYSA-N 313.264 4.656 30 20 DJED COc1ccc(Cl)cc1[C@H](CC(C)C)NCCCCC#N 341856315 VDPLHGXONMBVSQ-INIZCTEOSA-N 308.853 4.719 30 20 DJED C=CCC[C@H](NCc1ccc(C(F)(F)F)cn1)c1ccccc1 341911807 QPPFCJPHFXZMQX-KRWDZBQOSA-N 320.358 4.898 30 20 DJED CC[C@H](N[C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(C#N)cc1 375721238 VDAUONPGKHRPGE-PWRODBHTSA-N 320.436 4.519 30 20 DJED N#Cc1ccc(NC(=O)N2CCCCC[C@H]2c2ccccc2)cc1 409695819 KGAMQELYSXPMQF-IBGZPJMESA-N 319.408 4.707 30 20 DJED C[C@@H](SCc1cccc(F)c1C#N)c1nc2ccccc2o1 427818966 JMHHZFCKTMJGRB-LLVKDONJSA-N 312.369 4.833 30 20 DJED Cc1nc(NCc2ccc(C(C)(F)F)cc2)c(Cl)cc1C#N 432148836 PIQLWYHPGMDMPM-UHFFFAOYSA-N 321.758 4.639 30 20 DJED Cc1oc(C#N)cc1C(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 436145294 HIYURZYBWUXHHS-IBGZPJMESA-N 322.408 4.560 30 20 DJED CC[C@H](CNC1CCC(C)(C#N)CC1)Oc1ccccc1Cl 449191247 WXPOFVXPQHRDSF-SWKXRBFHSA-N 320.864 4.559 30 20 DJED C[C@H](CN[C@H]1CCC[C@H](C#N)C1)c1c(Cl)cccc1Cl 463303226 QMDMAARNVKSYPN-AGIUHOORSA-N 311.256 4.769 30 20 DJED CC(C)(C)[C@@](C)(C#N)NC(=O)CCCc1ccc2ccccc2c1 464162545 NQOHRDMESQCCCX-OAQYLSRUSA-N 322.452 4.607 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccccc1OCC 471137242 QSFSNTHIFQBDEM-UHFFFAOYSA-N 324.424 4.696 30 20 DJED C[C@H](Nc1cc(F)ccc1OCC1CC1)c1cccc(C#N)c1 477917726 AGDDYSDFEIVZDL-ZDUSSCGKSA-N 310.372 4.659 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCC[C@@H]1c1cccs1 487379421 RWUDROSEVAAJDL-QGZVFWFLSA-N 310.466 4.886 30 20 DJED C=CCC[C@H](C(=O)Nc1scnc1C1CC1)c1ccccc1 489662315 QEUQMVKAMVFURD-HNNXBMFYSA-N 312.438 4.709 30 20 DJED C[C@H](c1cccc(C(F)(F)F)c1)N(C)Cc1ccccc1C#N 521814214 OHGJQHJYRZBAFH-CYBMUJFWSA-N 318.342 4.770 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CCC[C@H](C)C1 523364070 POWPQWOKZHRWDX-QFBILLFUSA-N 312.457 4.512 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc(OCC)c(F)c1)c1ccccc1 536124575 JTRCTMXCZSZCNW-AWEZNQCLSA-N 313.372 4.523 30 20 DJED C=CCN(C(=O)N[C@@H](CC(C)(C)C)c1ccccc1)C1CC1 538959020 KCZJANXJIJUEED-KRWDZBQOSA-N 300.446 4.524 30 20 DJED C=C(CC)CSc1nnc(Cc2c(F)cccc2Cl)o1 540214794 IWBOAKUPQWVSNW-UHFFFAOYSA-N 312.797 4.511 30 20 DJED N#Cc1cccc(CNc2ccc3c4c(cccc24)CC3)c1F 540409916 HNUFGWKEHXWJIO-UHFFFAOYSA-N 302.352 4.561 30 20 DJED C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(Cl)c(Cl)c1 577320047 CFXGLFPFFTWGQI-GFCCVEGCSA-N 319.235 4.910 30 20 DJED Cc1ccc(F)cc1NC(=O)c1c(Cl)cc(C#N)cc1Cl 611093129 FXTYMQYCFBNJKP-UHFFFAOYSA-N 323.154 4.565 30 20 DJED C[C@H]1CCc2ccccc2[C@@H]1NCc1ccc(C#N)c(Cl)c1 619754492 AXYZRGIGDAQZJZ-ORAYPTAESA-N 310.828 4.625 30 20 DJED CC1(C)Cc2occc2[C@@H](NCc2ccc(C#N)c(Cl)c2)C1 619754656 GWPOONVHBONJQO-INIZCTEOSA-N 314.816 4.608 30 20 DJED C=CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)C1 628494532 RQSPAKIPBSIPKM-KWCYVHTRSA-N 324.251 4.522 30 20 DJED O=C1/C(=C\c2cc(F)c(F)c(F)c2)CSc2c(F)cccc21 727973794 BKWUTGBQDLMDII-WTKPLQERSA-N 324.298 4.615 30 20 DJED C=C1CCN(Cc2cc3ccc(SC)cc3nc2Cl)CC1 731033023 ULPVEJSZYPAWBG-UHFFFAOYSA-N 318.873 4.762 30 20 DJED C[C@@H](NCc1ccc2c(c1)CCC(C)(C)O2)c1ccc(C#N)cc1 731677687 YHGVDODSTLZBTD-OAHLLOKOSA-N 320.436 4.513 30 20 DJED N#Cc1c(NC(=O)C2CCCCCCC2)sc2c1CCCC2 741513761 BUHKRXMIVXSHPV-UHFFFAOYSA-N 316.470 4.798 30 20 DJED Cc1ccc(-c2nc(/C=C3/Oc4ccccc4C3=O)cs2)cc1 742438169 ZLNLLWWNXIQKOI-LICLKQGHSA-N 319.385 4.735 30 20 DJED CC(=NNc1ccc(C)cc1)c1sc(-c2cccnc2)nc1C 747601574 BQGPEVXHHLOXDP-UHFFFAOYSA-N 322.437 4.658 30 20 DJED CCCCC[C@H](C)CC(=O)N[C@H](CCC#N)c1ccccc1 749044797 DRSFTNQLIRBXTE-FUHWJXTLSA-N 300.446 4.754 30 20 DJED CCC[C@H](C)CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 749054813 NUPOQLHJVJUPOU-JQWIXIFHSA-N 320.845 4.952 30 20 DJED CC(C)c1nc(C(=O)/C=C/c2cc(F)c(F)c(F)c2)cs1 756623662 VZSHGYBVZYFHSX-ONEGZZNKSA-N 311.328 4.580 30 20 DJED C[C@@H](C#N)Oc1ccc(-c2nc3cccc(Cl)c3s2)cc1 758454626 OCUFVOFDCRJISU-JTQLQIEISA-N 314.797 4.908 30 20 DJED CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(C)c(Cl)c2)c1 766484381 OECUKBGSFAQXNO-CMDGGOBGSA-N 313.784 4.503 30 20 DJED Cc1ccccc1[C@H](Nc1snc(Cl)c1C#N)C1CC1 771202542 BUSMWDGNFMDLKJ-CYBMUJFWSA-N 303.818 4.540 30 20 DJED C=C(Cl)CN[C@H]1CCCc2nc(-c3ccccc3)sc21 773005485 RCBCNAMEDBSXTR-ZDUSSCGKSA-N 304.846 4.530 30 20 DJED C#CCCCCN[C@@H](C)c1ccc(SCC(F)(F)F)cc1 773039407 GFOSCCNYFBQCHB-ZDUSSCGKSA-N 315.404 4.795 30 20 DJED CC[C@H](Nc1ccc(OCC(F)F)cc1)c1ccc(C#N)cc1 774300831 DWWJWCYLMVFVPD-KRWDZBQOSA-N 316.351 4.765 30 20 DJED CC[C@@H](Nc1ccc(OC)c(OC(C)C)c1)c1ccc(C#N)cc1 774360051 QYFPNVFTQXIXGX-GOSISDBHSA-N 324.424 4.917 30 20 DJED O=C1/C(=C/c2nc3c(s2)CCCC3)[C@H]2CCCc3cccc1c32 776264384 GJHQRXRYAPIUOL-WDGDVPDHSA-N 321.445 4.722 30 20 DJED Cc1ccc(CCCCC(=O)OCCCC(C)(C)C#N)cc1 783280743 WTVWEFXXHYYKLS-UHFFFAOYSA-N 301.430 4.581 30 20 DJED O=C(/C=C\c1ccc(F)c(Cl)c1Cl)c1ccnc(F)c1 794720089 PVXRSKQFQQXGFF-RQOWECAXSA-N 314.118 4.563 30 20 DJED Cc1ccc(-c2nc(-c3cccc(C(F)F)c3)no2)cc1C#N 809480485 PRZJHSTYTULTCQ-UHFFFAOYSA-N 311.291 4.521 30 20 DJED N#Cc1c(F)cccc1/C=C/C(=O)c1ccc(Cl)cc1Cl 811685396 QPICHVGWBVHWKZ-QPJJXVBHSA-N 320.150 4.900 30 20 DJED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCC2CC2)cc1 812466874 NAMQUUXLMPTVLU-HXUWFJFHSA-N 318.420 4.861 30 20 DJED CC(=NNc1cc(Cl)ccc1Cl)c1ccc(C)nc1C 814861540 WSEOYXAVNBRCJE-UHFFFAOYSA-N 308.212 4.841 30 20 DJED Cc1ccc(N(CC(C)C)C(=O)c2cc(C#N)cs2)c(C)c1 844665706 OAQFTSDGYUWYHZ-UHFFFAOYSA-N 312.438 4.539 30 20 DJED CC[C@H](N[C@H]1CSCc2ccccc21)c1cccc(C#N)c1 902776717 NQSIENXTTHPJRX-OALUTQOASA-N 308.450 4.587 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(C)s2)cc1OC(F)F 917043591 KCXFGYLIIODUQT-GQCTYLIASA-N 324.348 4.563 30 20 DJED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C=C2CCCC2)cc1 917669539 RVEHXAJPHUVRRC-FQEVSTJZSA-N 316.404 4.781 30 20 DJED O=C(/C=C1\COc2ccc(F)cc21)c1ccc(Cl)c(Cl)c1 918155926 ZRFWIMQBJNOSJG-UXBLZVDNSA-N 323.150 4.791 30 20 DJED CCn1cc(C(=O)/C=C\c2sc3ccccc3c2Cl)cn1 920991246 FADCLROVPVWLQV-FPLPWBNLSA-N 316.813 4.667 30 20 DJED C#Cc1cccc(NC(=O)N[C@H](C)CC(C)(C)c2ccccc2)c1 921112175 BYXVSIGRNNNCIL-MRXNPFEDSA-N 320.436 4.546 30 20 DJED C=C1CCC(C(=O)Nc2ccccc2COC(C)(C)C)CC1 928384357 ODILYCIPKBULHV-UHFFFAOYSA-N 301.430 4.687 30 20 DJED CC(C)(C#N)c1ccccc1CSCc1cn2ccccc2n1 1116303505 MSDVQJLKXOGPMW-UHFFFAOYSA-N 321.449 4.569 30 20 DJED N#Cc1ccc(CSc2nc3cc(Cl)ccc3o2)s1 1164547735 MLEFKOCDXAVCPZ-UHFFFAOYSA-N 306.799 4.707 30 20 DJED C[C@@H](SCC1(CC#N)CC1)c1cccc(Br)c1 1166246852 NKTLFDNIBXIDQZ-LLVKDONJSA-N 310.260 4.937 30 20 DJED C[C@H]1Sc2ccccc2N(Cc2ccc(C#N)s2)[C@@H]1C 1167813365 WHFJSOZFXPEKLO-VXGBXAGGSA-N 300.452 4.509 30 20 DJED CCC(CC)n1ccc(CSc2cccc(F)c2C#N)n1 1189433053 NRXHIGNVLLWEAO-UHFFFAOYSA-N 303.406 4.547 30 20 DJED CCN(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1C#N 1190628381 XULPWLFQVUCBIK-UHFFFAOYSA-N 319.235 4.887 30 20 DJED CC(C)(C)[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 1214367957 NDSHCRVYTQXNLT-ZDUSSCGKSA-N 319.836 4.502 30 20 DJED CC(C)CC[C@@H]1CCCCN1C(=O)CC1(C#N)CCCCC1 1266142241 JBBGZCCOOIHIDY-KRWDZBQOSA-N 304.478 4.668 30 20 DJED Cc1ccc([C@@H]2CCC[C@H]2OC(=O)c2ccc(C)c(C#N)c2)cc1 1435982798 KBNGBAOJXYFNOF-VQTJNVASSA-N 319.404 4.668 30 20 DJED CC(C)CCN(CCC#N)C(=O)c1ccc(C2CCCC2)cc1 1443570853 FCUOEYDWSSUUBA-UHFFFAOYSA-N 312.457 4.746 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)Nc1cc(C#N)ccc1NC 1448356295 LGBIFWWHTZFPNI-INIZCTEOSA-N 313.445 4.535 30 20 DJED CC(C)Oc1ccc(CN2CCCC(C)(C)[C@H]2C#N)cc1Cl 1460060749 RNZULFYWJPZKQN-QGZVFWFLSA-N 320.864 4.641 30 20 DJED C=C(Cl)CNC(=O)N[C@H](c1ccc(C(C)(C)C)cc1)C(C)C 1469927472 DACWWAWJHZPIET-INIZCTEOSA-N 322.880 4.733 30 20 DJED N#Cc1cc(CN2CCCCc3c(Cl)cccc32)ccc1F 1473364568 QWILQWHBEPSYNE-UHFFFAOYSA-N 314.791 4.694 30 20 DJED CC(C)(C#N)CCCN1CCC(Cc2cc(F)cc(F)c2)CC1 1473474981 HCXZLBMEKDGICZ-UHFFFAOYSA-N 320.427 4.549 30 20 DJED C[C@@H]1C[C@@H](CC(=O)Nc2cc(C#N)c(F)cc2F)CC(C)(C)C1 1532500007 WQNUHXYWECDYPL-NEPJUHHUSA-N 320.383 4.627 30 20 DJED CC(C)[C@H]1CCc2c(sc(NC(=O)CC3CCC3)c2C#N)C1 1534342776 ZUFWSOPDLTUNND-ZDUSSCGKSA-N 316.470 4.509 30 20 DJED N#Cc1cccc(SCc2ccc(Br)cc2F)c1 1613584285 QQXQPZJEHDBMPE-UHFFFAOYSA-N 322.202 4.752 30 20 DJED Cc1cc(Nc2cccc(COc3ccccc3)c2)ncc1C#N 1639324073 XXGBRLTYAGXSHT-UHFFFAOYSA-N 315.376 4.584 30 20 DJED N#Cc1cccc(Br)c1Sc1ccc(F)cc1 1641962437 XQPFXOIMDVTPSC-UHFFFAOYSA-N 308.175 4.611 30 20 DJED N#CCc1ccc(CN2CC3(CCCC3)[C@@H]2c2ccccc2)cc1 1643332968 SXAOZPAOSSZQEB-NRFANRHFSA-N 316.448 4.870 30 20 DJED CC(C)(C)[C@H]1CCCC[C@H]1CNc1c(C#N)nnc2ccccc12 1651459560 IWTYZVORGKGLLP-HOCLYGCPSA-N 322.456 4.766 30 20 DJED Cc1c(C#N)cccc1NCc1ccc(F)cc1C(F)(F)F 1658820342 ZMIHMYDVWYVROE-UHFFFAOYSA-N 308.278 4.637 30 20 DJED O=C(O)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)c(Cl)c1 1776115167 PFLFGHQMNMNRPF-VMPITWQZSA-N 321.159 4.588 30 20 DJED C#Cc1cccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c1 22761137 XQINPPXIFYTDEL-UHFFFAOYSA-N 321.763 4.834 30 20 DJED O=C(/C=C/c1nc(-c2ccccc2)cs1)c1ccc(F)cc1 60370817 FAHDIPIFVWTPHZ-ZHACJKMWSA-N 309.365 4.845 30 20 DJED C=C(C)COc1cc(CN[C@@H](C)c2cccs2)ccc1OC 60926930 BCPHWZGHKYRLGA-AWEZNQCLSA-N 317.454 4.562 30 20 DJED O=C1/C(=C/c2ccc3ncccc3c2)CSc2c(F)cccc21 105184511 GRDVYVRRCCFHBS-GXDHUFHOSA-N 321.376 4.746 30 20 DJED O=C1/C(=C\c2cncs2)CCSc2ccc(Cl)cc21 130108267 ILKNSWOPLFNLGQ-UITAMQMPSA-N 307.827 4.559 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N1CCCCC[C@H]1c1ccco1 150782980 ZXBSJVDILBHPOX-KRWDZBQOSA-N 323.396 4.609 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)c1cccc(C(F)F)c1 171549645 CDPRNQQSOOCKDR-UHFFFAOYSA-N 319.326 4.592 30 20 DJED Cc1cc(F)ccc1CNc1ccccc1SCCC#N 181847836 DCDMAZYORDELLZ-UHFFFAOYSA-N 300.402 4.752 30 20 DJED C[C@H](N[C@H](CCC#N)c1ccccc1)c1cccc(F)c1F 183311946 ARNHYKMKVLJDQG-SUMWQHHRSA-N 300.352 4.660 30 20 DJED C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(Cl)c(Cl)c1 192147138 INMLABRGXCJSNY-JTQLQIEISA-N 323.198 4.855 30 20 DJED Cc1cccc(Sc2ccc(C#N)c(Br)c2)c1 228253653 DZYDATZEZUEGMP-UHFFFAOYSA-N 304.212 4.780 30 20 DJED CC(C)n1cc(/C=C\C(=O)c2ccc(SC(F)F)cc2)cn1 255884483 OFDCBXFXXPCDHC-BAQGIRSFSA-N 322.380 4.675 30 20 DJED Cc1csc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 294747447 XEDNFYARHODRLV-GFCCVEGCSA-N 316.451 4.561 30 20 DJED C=CCN(C(=O)CCCCC)c1nc(-c2ccccc2)cs1 301147069 PUTNCBDSJURRAW-UHFFFAOYSA-N 314.454 4.909 30 20 DJED C[C@H](c1cccc(Cl)c1)N(C)c1nc(Cl)c(C#N)s1 311834845 MIYQHQZQAVWLER-MRVPVSSYSA-N 312.225 4.519 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](C)CCC(C)(C)C 425132443 RDDPPQZHPUJKGH-CABCVRRESA-N 300.446 4.540 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(F)c(Cl)c1 433241980 FOPCRURLOSLEOA-LBPRGKRZSA-N 302.780 4.544 30 20 DJED CC(C)c1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1 439294306 JBYHQRXDUIMAHG-IBGZPJMESA-N 321.424 4.977 30 20 DJED C=CCCC(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1 440046279 XRKSCWFMABQRDG-UHFFFAOYSA-N 320.314 4.672 30 20 DJED N#Cc1c(NC(=O)CCCC2CCCC2)sc2c1CCCC2 443816258 PEVPPFQFMMUVPN-UHFFFAOYSA-N 316.470 4.798 30 20 DJED C=CC[C@@H]1N(C(=O)c2nc3ccccc3s2)CCCC1(C)C 444636662 OINYDWMMWVMLCV-HNNXBMFYSA-N 314.454 4.503 30 20 DJED C[C@H]1C[C@H](C(=O)Nc2ccccc2SCCC#N)CC[C@H]1C 448936168 DWEVYMDWLZLCLA-QLFBSQMISA-N 316.470 4.703 30 20 DJED CCCCc1ccc([C@@H](NC(=O)CCCC#N)C(C)C)cc1 462153195 DVPGUUGPYQNRBX-IBGZPJMESA-N 300.446 4.536 30 20 DJED C=CC[C@@H](CC)N[C@@H](C)c1csc(-c2ccccc2F)n1 462805808 IOKWCFSFBSZGLC-QWHCGFSZSA-N 304.434 4.955 30 20 DJED N#C[C@H]1CCC[C@@H](NCC2(c3cccs3)CCCCC2)C1 463238160 ZHAGWZITZCLURU-JKSUJKDBSA-N 302.487 4.622 30 20 DJED C=C[C@@H](C)NC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 465263035 JMZYDKOFDPQGKW-CABCVRRESA-N 310.397 4.523 30 20 DJED CCN(Cc1ccc(OC)cc1)Cc1ccccc1C(C)(C)C#N 487377185 HUJMTYNFXILHLM-UHFFFAOYSA-N 322.452 4.518 30 20 DJED C[C@H]1C[C@@H]1c1ccc(CN(Cc2ccc(C#N)s2)C2CC2)o1 506553864 DJONHBLFFOIHSH-SJCJKPOMSA-N 312.438 4.501 30 20 DJED CC1(C(=O)Nc2cccc(OCCCC#N)c2)CCCCCC1 510300481 VRFRHRUXWUTUTQ-UHFFFAOYSA-N 314.429 4.668 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccccc1OC(C)C 524611011 UVARZYWCKNCLFS-UHFFFAOYSA-N 304.434 4.684 30 20 DJED CC(C)CN(C(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 572628367 AVHMXHMOIDLRLE-UHFFFAOYSA-N 312.800 4.514 30 20 DJED N#CCCC1CCN(C(=O)C2=C(c3ccccc3)CCCC2)CC1 578072443 ANTSNVZFKFKWLK-UHFFFAOYSA-N 322.452 4.557 30 20 DJED C[C@@H](NCc1coc2ccccc12)c1ccc(C#N)cc1Cl 582680403 OYTJLPHOTQDQPG-GFCCVEGCSA-N 310.784 4.809 30 20 DJED C[C@@H](CCC(=O)N(CCC#N)c1ccc(F)cc1)c1ccccc1 583360783 YMLCQRZHNRFLST-INIZCTEOSA-N 324.399 4.656 30 20 DJED CCC(CC)[C@H](NC(=O)CCCCCC#N)c1ccccc1 588871225 OGQXYUVYDVPZKI-IBGZPJMESA-N 300.446 4.754 30 20 DJED Cc1sc(NC(=O)c2ccc(CC(C)C)cc2)c(C#N)c1C 603819228 NUCCADZHDWVNMZ-UHFFFAOYSA-N 312.438 4.687 30 20 DJED C=CCCOCC(=O)Nc1ccc(Cl)cc1-c1ccccc1 682385444 AQKQWCOHFRDFFY-UHFFFAOYSA-N 315.800 4.538 30 20 DJED CC(=NNc1ncnc2c1oc1ccccc12)c1ccccc1C 725844364 VNQGPGINBZMSOR-UHFFFAOYSA-N 316.364 4.521 30 20 DJED C=CCOc1ccc(/C=C\C(=O)c2cccs2)cc1Cl 727263876 IDLWGFWDPZTUBG-ALCCZGGFSA-N 304.798 4.862 30 20 DJED C/C(=C/C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C1CC1 729375924 XCBBSGUURCNCCM-KAMYIIQDSA-N 318.376 4.645 30 20 DJED Cc1ccc(-c2ncc(/C=C/C(=O)c3ccc(C)o3)s2)cc1 734305579 CQBWUGBINNFWEV-CMDGGOBGSA-N 309.390 4.916 30 20 DJED CCOc1cccc(C(=O)/C=C/c2cnc(C(C)(C)C)s2)c1 736433303 CMEGACPWWZZJHG-MDZDMXLPSA-N 315.438 4.735 30 20 DJED COCc1ccc(/C=C/C(=O)c2ccc(OC(C)C)cc2)cc1 741848940 RGJKCMWQFSQTAD-MDWZMJQESA-N 310.393 4.516 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C1CCCCCCC1 752045987 IDPHJCCKSMQTBX-UXHICEINSA-N 324.468 4.645 30 20 DJED COc1ccc(O)c(C=Nc2ccc(CCC(F)(F)F)cc2)c1 753137571 IQMDJEJMRJVBCJ-UHFFFAOYSA-N 323.314 4.646 30 20 DJED CC(C)(C=NN=C1c2ccccc2-c2ccccc21)CCC#N 755611785 HMRZFBNETKCJLJ-UHFFFAOYSA-N 301.393 4.820 30 20 DJED C#CC[C@H](NCc1ccc(F)c(C(F)(F)F)c1)c1ccccc1 756996071 NGWITOXQQHODBG-KRWDZBQOSA-N 321.317 4.699 30 20 DJED C#CCCCCC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 773261683 UMGKJNNKJQTTJE-IBGZPJMESA-N 311.469 4.841 30 20 DJED CCc1cccc(Cl)c1C=NNc1ccc2ccccc2n1 788698305 YYLNDEJQSUQQOX-UHFFFAOYSA-N 309.800 4.897 30 20 DJED CCc1ccccc1NN=Cc1cscc1Br 794895071 DMLATUIQQOEMDK-UHFFFAOYSA-N 309.232 4.519 30 20 DJED CCOc1ccc(C=Nc2ccc(-c3ccccn3)cc2)c(O)c1 811625801 WCLXVTSMPWNYDT-UHFFFAOYSA-N 318.376 4.604 30 20 DJED CC(C)c1ccc([C@@H](C)NN=Cc2cccnc2Cl)cc1 814811352 BBJABMBRILRVSO-CYBMUJFWSA-N 301.821 4.543 30 20 DJED Clc1ccc(C=NNc2ccccc2Br)s1 839411783 ZEBFFAVRJAPFNJ-UHFFFAOYSA-N 315.623 4.610 30 20 DJED CCCCCCCC(=O)OCc1ncc(-c2ccccc2)o1 919222264 SSEBKNDERTYJQV-UHFFFAOYSA-N 301.386 4.745 30 20 DJED CC/C=C(\C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 920010043 PKSZHUWSFNMNNQ-MKMNVTDBSA-N 306.365 4.645 30 20 DJED Oc1ccc(Cl)cc1C=Nc1ccc(N2CCCCC2)cc1 920942895 SSPFHIMSIUJFPG-UHFFFAOYSA-N 314.816 4.787 30 20 DJED C=C(Br)CNCc1ccccc1-c1ccccc1C 1200244397 SXWQQCJAKJNONJ-UHFFFAOYSA-N 316.242 4.660 30 20 DJED CC(C)(C)c1ccc(CCN[C@@H]2CCc3cc(C#N)ccc32)cc1 1205650366 KMTHTYUCENHLMR-OAQYLSRUSA-N 318.464 4.675 30 20 DJED N#Cc1cccc(CN2CCC[C@H]2c2cccc(Cl)c2)c1F 1249691532 OJIWHMBQHXEGKX-KRWDZBQOSA-N 314.791 4.688 30 20 DJED CCC[C@H]1CCCC[C@@H]1CNC1CC(C#N)(c2ccccc2)C1 1308820195 JYZXZUMVHGQGLD-GTROLIPKSA-N 310.485 4.806 30 20 DJED CC(C)(CCC#N)CNC(=O)c1ccc(-c2cccs2)s1 1346801087 NPNXNYKRLDMDIU-UHFFFAOYSA-N 318.467 4.536 30 20 DJED CCC(C)(C)c1ccc(C(=O)Nc2cc(C#N)ccc2C)cc1 1355074512 NKLXHMCPWLXWQU-UHFFFAOYSA-N 306.409 4.807 30 20 DJED CCN(C(=O)C1CCC(C)(C)CC1)c1ccc(C#N)c(Cl)c1 1435579552 WYOAMDBSJDBHBD-UHFFFAOYSA-N 318.848 4.781 30 20 DJED CCCc1c(N[C@@H]2CCC(C)(C)C2)cnn1-c1cccc(C#N)c1 1462119415 ITVMTHQKQLFDJH-MRXNPFEDSA-N 322.456 4.687 30 20 DJED CC1(C)CC(C(=O)Nc2sc3c(c2C#N)CCCCCC3)C1 1527528156 SRDPZFKFCMYWMD-UHFFFAOYSA-N 316.470 4.653 30 20 DJED CC(C)C(C)(C)C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@H](C)CC2 1527539708 ORCAWKAEXQQDPY-VXGBXAGGSA-N 318.486 4.926 30 20 DJED Cc1cc(C#N)cc(NC(=O)C2(c3cccc(Cl)c3)CCC2)c1 1528379807 ZRPHOGVSOXDBJN-UHFFFAOYSA-N 324.811 4.581 30 20 DJED CCN(C(=O)C[C@H]1CCCC[C@H]1C)c1ccc(C#N)c(Cl)c1 1535606032 VDPXHOUBIBBUGW-ZIAGYGMSSA-N 318.848 4.781 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2ccc(Cl)c3occc23)c1 1535892680 BCCTXCZBHZBOJR-UHFFFAOYSA-N 310.740 4.519 30 20 DJED Cc1ccc([C@H]2CCC[C@@H]2N(C)Cc2ccc(F)cc2C#N)cc1 1559562726 HSSNRYPZWYASLL-RTWAWAEBSA-N 322.427 4.774 30 20 DJED N#Cc1ccc(F)c(NC(=O)Nc2cccc3ccsc23)c1 1625455003 JLNHSMBSDGSDSX-UHFFFAOYSA-N 311.341 4.556 30 20 DJED CN(C(=O)CC1(C#N)CCCCC1)[C@H]1CCC[C@H]1C(C)(C)C 1639425111 OTAGBAAGXDBDOC-CVEARBPZSA-N 304.478 4.524 30 20 DJED CCc1nc(C#N)cc(N[C@@H](CC(C)(C)C)c2ccccc2)n1 1639512930 JQFVXTMAEXLPLP-INIZCTEOSA-N 308.429 4.500 30 20 DJED CCCN(Cc1cc(C#N)ccc1OC)[C@@H](CC)c1ccccc1 1644430883 UZTGLMQSIGLDGJ-FQEVSTJZSA-N 322.452 4.930 30 20 DJED C=C(Cl)CN1CCC(F)(c2ccccc2C(F)(F)F)CC1 1645434754 HPULQUKNAWYUSA-UHFFFAOYSA-N 321.745 4.719 30 20 DJED Cc1ccc(C#N)c(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)n1 1650752784 NKRYXDZLTLTRFQ-YMRXKLBXSA-N 311.816 4.724 30 20 DJED CC(C)CN(Cc1ccc(Cl)cc1C#N)c1ccc(C#N)cc1 1652788962 NZWZCLDZLDJLPZ-UHFFFAOYSA-N 323.827 4.746 30 20 DJED C[C@H](c1cccc(C#N)c1)N1CCC(Cc2ccccc2F)CC1 1653552996 AMLFQSCRYOBSIS-MRXNPFEDSA-N 322.427 4.713 30 20 DJED CC(C)CC[C@@H](NC(=O)Nc1cc(C#N)ccc1F)C(C)(C)C 1678266364 MFXQAIMNJWJYSM-MRXNPFEDSA-N 319.424 4.670 30 20 DJED CC(C)(C)C1CCC(C=NNc2cccc(C(=O)O)c2)CC1 1776037056 PLDSYRIZPOCENO-UHFFFAOYSA-N 302.418 4.635 30 20 DJED CC[C@@H](C)c1ccc(C(=O)/C=C\c2ccc(C(=O)O)c(O)c2)cc1 1776697700 NHJCNQWPFPXVJX-ZRVMKQEGSA-N 324.376 4.500 30 20 DJED O=C(O)/C=C/c1ccc(/C=C/C(=O)c2ccc(C3CCC3)cc2)o1 1777624025 KACGAXGWOWYLPD-DCIPZJNNSA-N 322.360 4.541 30 20 DJED N#Cc1cccc(NC(=O)c2cccc(Oc3ccccc3)c2)c1 6287497 IXDJWQTXJWEJOU-UHFFFAOYSA-N 314.344 4.603 30 20 DJED CCN(C(=O)c1cccc(SCC#N)c1)c1cc(C)cc(C)c1 79400267 YWHJDQMBOSQXIR-UHFFFAOYSA-N 324.449 4.586 30 20 DJED N#CCCCCN1CCc2ccccc2[C@H]1Cc1ccccc1 119138629 YDUYANHNMKWGNX-OAQYLSRUSA-N 304.437 4.522 30 20 DJED CC(C)Oc1cccc(CN[C@@H](CCC#N)c2ccccc2)c1 130383794 YOYQVUQKFAODGB-FQEVSTJZSA-N 308.425 4.608 30 20 DJED Cc1ccc(NCC(C)(C)CCC#N)cc1NC(=O)C(C)(C)C 131929594 DAVFYCGXQZXHQU-UHFFFAOYSA-N 315.461 4.722 30 20 DJED Cc1cnc([C@@H](C)Nc2ccc(C(F)(F)F)cc2C#N)s1 135189917 FLKLRKNBKXAINI-SECBINFHSA-N 311.332 4.515 30 20 DJED CC1(C)CCCC[C@@H]1CC(=O)[C@H](C#N)c1nc2ccccc2o1 178717326 AAOKISYBLBMEFQ-KGLIPLIRSA-N 310.397 4.611 30 20 DJED C[C@@H](N[C@@H](c1ccccc1)C1CCC1)c1ccc(OCC#N)cc1 181685269 BCOKTFZEWKCIFF-IERDGZPVSA-N 320.436 4.781 30 20 DJED N#CC1(CCCNc2cc(Cl)ccc2Cl)CCOCC1 280904415 BWANVYXUQLLFLR-UHFFFAOYSA-N 313.228 4.506 30 20 DJED C[C@@H](Nc1ccc(C#N)cc1F)c1nc(C(C)(C)C)cs1 301195555 NVNSLMDYFYLWRR-SNVBAGLBSA-N 303.406 4.624 30 20 DJED Cc1nc(CC2CC2)oc1/C(O)=N/[C@@H]1CC[C@H](C)c2ccccc21 330016854 QFCVVQGMXMBKJW-YVEFUNNKSA-N 324.424 4.879 30 20 DJED C=CCC1(C(=O)Nc2nc(-c3cc(C)oc3C)cs2)CCC1 359567313 UXZQFCVLRJQMQH-UHFFFAOYSA-N 316.426 4.705 30 20 DJED N#C[C@@H]1CC[C@H](Nc2cc(Cl)ccc2OC2CCCC2)C1 442852072 KQSOWPTVOSSWRG-OCCSQVGLSA-N 304.821 4.766 30 20 DJED C=C[C@H]1CCCCN1C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 456032332 TYUDUZUJYFDJEK-DOMZBBRYSA-N 311.347 4.533 30 20 DJED C=CCCN(C)C(=O)N[C@H](CC1CCCC1)c1ccccc1 467091203 QGZBWFKPDDDWKW-GOSISDBHSA-N 300.446 4.526 30 20 DJED C=CCCC1(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)CC1 475181004 AAARHFWRYLUGMX-UHFFFAOYSA-N 324.302 4.532 30 20 DJED N#Cc1cnc2ccccc2c1N1CCC[C@H]1c1ccsc1 486928778 OIENIQRHSAOYFE-KRWDZBQOSA-N 305.406 4.509 30 20 DJED C=CCC[C@@H](NC(=O)N(CC)C1CCCC1)c1ccccc1 500189572 UPPHXUWSDFRTAN-GOSISDBHSA-N 300.446 4.668 30 20 DJED N#Cc1ccc(OCCNc2cccc(-c3cccs3)c2)cc1 506891685 SSDMPKCEVKVZFS-UHFFFAOYSA-N 320.417 4.778 30 20 DJED C=C(C)CCc1noc([C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)n1 508597163 WFNFPQHALRXLTB-ZIAGYGMSSA-N 322.330 4.868 30 20 DJED N#CCCCOc1cccc(N[C@H]2CCCc3cc(F)ccc32)c1 539626901 GKYPPIGDKLZLEF-FQEVSTJZSA-N 324.399 4.998 30 20 DJED N#CCCCCCC(=O)N1CCCSc2cc(Cl)ccc21 602408107 WREHWDXPDKZPGD-UHFFFAOYSA-N 322.861 4.643 30 20 DJED CCCC(C)(C)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 609987925 RCAHUOCRZZLCBB-UHFFFAOYSA-N 321.424 4.610 30 20 DJED N#Cc1ccnc(S[C@H](c2ccccc2)c2ccc(F)cc2)c1 610217789 DPGMBINAOULJNC-LJQANCHMSA-N 320.392 4.974 30 20 DJED Cc1nc(-c2ccc(NCc3ccc(C#N)cc3F)cc2)oc1C 610946981 DDSXOUGGQIGTQR-UHFFFAOYSA-N 321.355 4.581 30 20 DJED C#Cc1cccc(N(C(=O)C[C@@H](C)c2ccccc2F)C(C)C)c1 728245795 ITFCSFDTWIROJK-MRXNPFEDSA-N 323.411 4.742 30 20 DJED CC(CC(C)(C)c1ccccc1)=NNc1cnnc2ccccc12 733748299 PZMPVIHBVWKSLJ-UHFFFAOYSA-N 318.424 4.786 30 20 DJED C=C(C)COc1cc(/C=C/C(=O)c2cccc(C)c2)ccc1OC 747063273 FUBSWBSUNLQGPG-CSKARUKUSA-N 322.404 4.855 30 20 DJED Cc1cn2c(/C=C\C(=O)c3coc4ccccc34)c(C)nc2s1 747706409 VRCTZZYVANHTKN-FPLPWBNLSA-N 322.389 4.655 30 20 DJED CCCn1nc(C)c(/C=C2/C[C@@H](C)c3ccccc3C2=O)c1C 751534102 BIGCMTQVWFRGGJ-OPCAMPFDSA-N 308.425 4.683 30 20 DJED Cc1ccc2cc(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)oc2c1 754825133 NRFYRMFUNSXTNY-SOFGYWHQSA-N 307.305 4.546 30 20 DJED COc1ccsc1/C=C/C(=O)c1ccccc1C(F)(F)F 764437702 VFUXPUIJHSPWAZ-VOTSOKGWSA-N 312.312 4.672 30 20 DJED CC(C)c1ccc([C@@H](C)NN=Cc2ccc(C#N)cc2F)cc1 772840822 NTTHQICAIRTQBT-CQSZACIVSA-N 309.388 4.505 30 20 DJED CC(=NOCCC(F)(F)F)[C@@H](C)c1nc2ccccc2s1 777456438 ZFLSHJBZLHQFOM-SECBINFHSA-N 316.348 4.745 30 20 DJED C=C(C)CN(C)C(=O)Nc1cccc(OCc2ccc(C)cc2)c1 778262947 XYCOHKIOCSOYHT-UHFFFAOYSA-N 324.424 4.614 30 20 DJED C#CCCCCCC(=O)Nc1ccc(CNc2ccccc2)cc1 780600085 ODOWNFABLPPDFK-UHFFFAOYSA-N 320.436 4.821 30 20 DJED Fc1cc(F)cc(NN=Cc2c(Cl)ccc3cccnc23)c1 781123490 XHQHDCVOBZBYTA-UHFFFAOYSA-N 317.726 4.612 30 20 DJED CC(C)(C#N)CCCOC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 783562108 WOTAURGKTNEPIE-OALUTQOASA-N 321.420 4.816 30 20 DJED C[C@H](CC(=O)OCC1(C#N)CCCCC1)c1c[nH]c2ccccc12 786484869 PKYLXCNXNGRJFS-OAHLLOKOSA-N 324.424 4.679 30 20 DJED C#CCCCCCC(=O)N(c1cnc2ccccc2c1)C(C)C 791028188 IQILURVQRQDOMZ-UHFFFAOYSA-N 308.425 4.560 30 20 DJED CC(C)n1nccc1/C=C\C(=O)c1ccc(Cl)c(Cl)c1 794927482 RBYMJMQTCTXGGF-XQRVVYSFSA-N 309.196 4.667 30 20 DJED CCC[C@@H](C)c1noc(-c2cn(CCCC#N)c3ccccc23)n1 809359962 RSWJVKUFQMZQME-CQSZACIVSA-N 322.412 4.899 30 20 DJED CC(C)c1nc(C(=O)/C=C/c2nccc3ccccc23)cs1 812243729 SVQZJQJSQOFVKP-BQYQJAHWSA-N 308.406 4.711 30 20 DJED CC1CCN(c2ccc(NC3CCC(C)(C#N)CC3)cc2)CC1 823529554 UNUWQLVKZRVRKC-UHFFFAOYSA-N 311.473 4.807 30 20 DJED C[C@H](Cc1ccc(C#N)cc1)c1nc(-c2cccc(Cl)c2)no1 904288744 GSNIKLMLHQHQGX-GFCCVEGCSA-N 323.783 4.608 30 20 DJED C[C@@H]1CCCC[C@H]1CC(=O)[C@H](C#N)c1ccc2ccccc2n1 920788332 GPSAGOLGRVWMLL-HYVNUMGLSA-N 306.409 4.627 30 20 DJED Cc1nc(NCc2ccc(-c3ccccc3)o2)c(Cl)cc1C#N 1162206291 XPHMUTWUSQKVGU-UHFFFAOYSA-N 323.783 4.787 30 20 DJED C[C@H]1C[C@H](c2ccccc2)C[C@H](NCc2cc(C#N)ccc2F)C1 1203683447 VYLFJKDCZJLEPA-ZAAXVRCTSA-N 322.427 4.759 30 20 DJED CC[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccc(F)cc1 1320085311 GJOXVQXHMBUDMX-LIRRHRJNSA-N 312.388 4.530 30 20 DJED N#Cc1ccc(C(=O)O[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1Cl 1350150437 WHPBHEGZUXHSLR-DVOMOZLQSA-N 317.816 4.727 30 20 DJED N#Cc1cc(C(=O)Nc2cccc(-c3cccs3)c2)ccc1F 1352164484 OZQBQDXZIQQYHJ-UHFFFAOYSA-N 322.364 4.678 30 20 DJED CC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1436351707 IMFPORCQSWRLDL-CZUORRHYSA-N 314.429 4.500 30 20 DJED Cc1cc(Cl)ccc1Oc1ccc(Cn2cc(C#N)cn2)cc1 1459038986 HILIXVUCSWLXPB-UHFFFAOYSA-N 323.783 4.557 30 20 DJED CC[C@H](NCc1ccc(F)cc1C#N)C(C)(C)c1ccccc1 1459876167 UENHEYFUNRTBCP-IBGZPJMESA-N 310.416 4.543 30 20 DJED Cc1cc(C#N)cc(N[C@H](C)Cc2cccc(C(F)(F)F)c2)c1 1474578150 ORVFQWRKTFENIM-CYBMUJFWSA-N 318.342 4.929 30 20 DJED CC(C)Cc1ccc(C(=O)Nc2ccc(C#N)cc2Cl)s1 1525623068 PTDFVDKRPXLMHF-UHFFFAOYSA-N 318.829 4.724 30 20 DJED N#C[C@@H](CCc1ccccc1)SCc1cccc(F)c1F 1559463945 NCOJNIHBTZHXND-OAHLLOKOSA-N 303.377 4.723 30 20 DJED C[C@@H]1CSc2ccccc2N1Cc1ccc(Cl)cc1C#N 1559617785 OOJSITFLBVPABQ-GFCCVEGCSA-N 314.841 4.712 30 20 DJED C[C@H]1C[C@@H](C(=O)Nc2scc(C(C)(C)C)c2C#N)CC[C@H]1C 1584034851 ZLVSYEVDTODUPI-AGIUHOORSA-N 318.486 4.928 30 20 DJED Cc1cc(N[C@@H]2C[C@H](C)C[C@@H](c3ccccc3)C2)ncc1C#N 1640025988 XGIRUZUMGSODIX-LSBZLQRGSA-N 305.425 4.646 30 20 DJED C[C@@H]1CC(C)(C)CC[C@@H]1NCc1cc(Cl)ccc1OCC#N 1642812017 GSRZVEQQEYZLJC-CJNGLKHVSA-N 320.864 4.547 30 20 DJED N#Cc1cccc(CN(Cc2ccc(Cl)cc2)C2CC2)c1F 1644349780 IDTLPTNTYSFGNX-UHFFFAOYSA-N 314.791 4.515 30 20 DJED N#Cc1cccc(CN[C@@H]2CCCC[C@@H]2Cc2ccccc2)c1F 1645366530 ZVUZNVVUMCEETA-YLJYHZDGSA-N 322.427 4.588 30 20 DJED C[C@H]1CCCc2ccccc2[C@H]1NCc1cccc(F)c1C#N 1652121292 YNLVRCPLSIMIGT-XOBRGWDASA-N 308.400 4.501 30 20 DJED N#CCC1(CN2CCc3ccccc3[C@H]2Cc2ccccc2)CC1 1653800711 PMKLQTSSWWBZIQ-OAQYLSRUSA-N 316.448 4.522 30 20 DJED C=C(Br)CN[C@@H](c1cccs1)C(CC)CC 1653924282 KOLNRFRPKBJFPP-CYBMUJFWSA-N 302.281 4.724 30 20 DJED CCCCN(Cc1cccc(C#N)c1F)[C@H]1CCC[C@H](C)C1 1654582371 GNAIEKFBZWOKKM-YJBOKZPZSA-N 302.437 4.878 30 20 DJED C[C@@H](Sc1cc(C#N)cnn1)c1ccc(Cl)c(Cl)c1 1655179592 UJHDKGXITJSGMI-MRVPVSSYSA-N 310.209 4.508 30 20 DJED C=CCc1ccccc1CNc1cc(C(=O)O)c2ccccc2c1 1776188623 AKXHPRZHEUSDGF-UHFFFAOYSA-N 317.388 4.879 30 20 DJED N#Cc1ccc(-c2ccc(OCc3cccc(C#N)c3)cc2)cc1 5406545 GBLJOWJONAJWRQ-UHFFFAOYSA-N 310.356 4.676 30 20 DJED CC(C)Oc1ccccc1CNc1cc(Cl)ccc1C#N 37277783 OWNNOJDAVYLBRJ-UHFFFAOYSA-N 300.789 4.611 30 20 DJED CCc1cccc(CC)c1NC(=O)c1cccc(SCC#N)c1 79381869 MGJCNUGIPALRMT-UHFFFAOYSA-N 324.449 4.679 30 20 DJED C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1Cl 160532510 HNGLLXMTXKAGQV-JTQLQIEISA-N 323.198 4.855 30 20 DJED Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(C#N)cc2)c1C 174310110 LYEGCDDKDXNQHU-IBGZPJMESA-N 319.408 4.544 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)c2cc3ccccc3o2)n1 177756650 LTBSFMNCABONJN-LBPRGKRZSA-N 310.378 4.503 30 20 DJED C[C@H](NCc1cc(C#N)ccc1F)c1cc2ccccc2s1 184361818 XAJVJFMHXZVFOF-LBPRGKRZSA-N 310.397 4.763 30 20 DJED COc1ccccc1/C=C\C(=O)c1cccc(C(F)(F)F)c1 206089569 MZRDDWYOMQFXFT-KTKRTIGZSA-N 306.283 4.610 30 20 DJED O=C1/C(=C/c2cncs2)CCSc2ccc(Cl)cc21 255106267 ILKNSWOPLFNLGQ-WEVVVXLNSA-N 307.827 4.559 30 20 DJED CC[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 278667747 IZXIJDISHYZMTP-KBXCAEBGSA-N 323.396 4.577 30 20 DJED CCC(CC)c1cc(CNc2cc(Cl)ccc2C#N)on1 301449384 KVTWCUSIOQYTPA-UHFFFAOYSA-N 303.793 4.715 30 20 DJED Cc1ccsc1[C@H](Cc1ccccc1)Nc1cccc(C#N)n1 301546950 DYACNXIPFOQBBM-KRWDZBQOSA-N 319.433 4.719 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@@H](C)c2oc3ccccc3c2C)c1 302090991 GWPIETQQXWOFQZ-ZDUSSCGKSA-N 318.376 4.989 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@@H]2/N=C(/O)[C@@H]1CCC(=O)[C@H](C)C1 328943203 UJLSDAJQNUSKRV-KYOSRNDESA-N 317.429 4.563 30 20 DJED C=CCCc1ccccc1NC(=O)C[C@H](OCC)C1=CCCC1 410377175 YGWAWVHAKXHXCC-IBGZPJMESA-N 313.441 4.649 30 20 DJED N#CC1(CCSc2nnc(-c3cccs3)o2)CCCCC1 412986609 XCJZQECFGZVOHY-UHFFFAOYSA-N 319.455 4.754 30 20 DJED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(OCc2ccccc2)c1 424324393 JVGYMRGIMAMKFJ-IMFGXOCKSA-N 320.436 4.608 30 20 DJED CN(C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C#N)cc1 461523514 ZFJBACMESNZBCL-UHFFFAOYSA-N 312.372 4.502 30 20 DJED C[C@@H](c1cccc(C#N)c1)c1nc(-c2coc3ccccc23)no1 463046963 DOLVEUGKEVYWRD-LBPRGKRZSA-N 315.332 4.506 30 20 DJED C=CC[C@@H]1N(C(=O)CCCc2cccs2)CCCC1(C)C 470280101 XHILAYFHPQDTJU-INIZCTEOSA-N 305.487 4.664 30 20 DJED C=C(C)[C@H](N[C@H](C)C1CCSCC1)c1ccc(F)c(F)c1 474924216 ATAPXGFTGFQZQQ-PXAZEXFGSA-N 311.441 4.703 30 20 DJED CC[C@@H]1CCCC[C@H]1C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 475117819 MOIRBXKZYLBAIW-SZVBFZGTSA-N 312.457 4.684 30 20 DJED C=CC1CCN(C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)CC1 476159068 PPXYEFIVJMFERI-QGZVFWFLSA-N 318.436 4.521 30 20 DJED C=CCCO[C@H](C)C(=O)N(C1CCCC1)[C@H](C)c1ccccc1 485466949 OCBOVXUXDWUYNZ-IAGOWNOFSA-N 315.457 4.500 30 20 DJED C=CCOc1ccc(Oc2ccc3ncccc3c2[N+](=O)[O-])cc1 487121394 QGVMNVUTSWBFNI-UHFFFAOYSA-N 322.320 4.500 30 20 DJED C=C[C@H](CC(=O)Nc1ccc(OCC)cc1C)c1ccccc1 533899586 IGVBZUUIHQMCQD-MRXNPFEDSA-N 309.409 4.692 30 20 DJED N#CCC1CCN(c2ccc3c(Cl)ccc(Cl)c3n2)CC1 543792777 XJOQHRQEXIGXNR-UHFFFAOYSA-N 320.223 4.672 30 20 DJED C[C@H](NC(=O)NCC(C)(C)CCC#N)c1cccc2ccccc12 558368143 SFXUXAYQYJDWCO-HNNXBMFYSA-N 323.440 4.530 30 20 DJED C=C(CNCc1cnc(-c2ccccc2)s1)c1ccccc1 589645854 CIZYHYKCKWHQTR-UHFFFAOYSA-N 306.434 4.613 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(C2CCC2)cc1 590188286 MLBIIUABEXMPRR-OAQYLSRUSA-N 302.421 4.603 30 20 DJED CC(C)Oc1ccccc1[C@@H](C)Nc1c(F)cc(C#N)cc1F 604531508 ZDPYMIDIWOUMPX-GFCCVEGCSA-N 316.351 4.797 30 20 DJED C=CCCCCCN(C)C(=O)Nc1cccc(C(F)(F)F)c1 606933964 LMZSTFVIKBRJGH-UHFFFAOYSA-N 314.351 4.916 30 20 DJED N#Cc1c(F)cccc1N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 608778857 JLIGTYPFOONICU-OAHLLOKOSA-N 319.383 4.563 30 20 DJED N#CCN(C(=O)CC1CCC(c2ccccc2)CC1)C1CCCC1 609976833 PAQWKRIAEJPOMM-UHFFFAOYSA-N 324.468 4.645 30 20 DJED Cc1cccc([C@@H](C)C(=O)N(CC(C)C)c2ccc(C#N)cc2)c1 610038815 KMMHBPHYUIEWLI-QGZVFWFLSA-N 320.436 4.659 30 20 DJED C=CC[C@H]1N(C(=O)N[C@@H](C)c2ccsc2)CCCC1(C)C 670174244 PTDGDYBGSBPLBH-DZGCQCFKSA-N 306.475 4.585 30 20 DJED CCCCCCCCCNC(=O)N1CC[C@H](c2ccco2)C1 732443660 JUNITWJHAFZXKJ-INIZCTEOSA-N 306.450 4.529 30 20 DJED C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H](C)C(C)C)c1 733104022 VEPWOJJJZGMNEV-HNNXBMFYSA-N 311.450 4.555 30 20 DJED FC(F)C(F)(F)COc1cc(C(F)(F)F)ccc1Cl 736435936 RYAHRNBDSGOUAV-UHFFFAOYSA-N 310.596 4.638 30 20 DJED CCCOc1ccc(/C=C2/CCc3cc(C#N)ccc3C2=O)cc1 742438468 XTBYETXUDDSLAN-PDGQHHTCSA-N 317.388 4.560 30 20 DJED Cc1ccc(-c2[nH]ncc2C=NNc2cccc3ccccc23)o1 747060472 SHUQAAGYJLYNCH-UHFFFAOYSA-N 316.364 4.577 30 20 DJED COc1ccc(C(=O)/C=C\c2cccc(Cl)c2F)c(F)c1 759652065 DWAOCUAMLPBWQB-YVMONPNESA-N 308.711 4.523 30 20 DJED CCC(CC)(CC)SCC(=O)N(CCC#N)c1ccccc1 762974272 NVUNSUKYLDFCFF-UHFFFAOYSA-N 318.486 4.635 30 20 DJED CC(C)[C@H](CN[C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 776154126 NSPLRMZTLVJSSA-UTKZUKDTSA-N 322.452 4.679 30 20 DJED CC(C)(C#N)CCOC(=O)C(C)(C)c1ccc2ccccc2c1 776389089 HTVCBRDMMUFFRI-UHFFFAOYSA-N 309.409 4.600 30 20 DJED CSCc1cccc(N[C@@H](C)c2ccc(C#N)c(F)c2)c1 777688040 OKUHXNFDGLFDPW-LBPRGKRZSA-N 300.402 4.733 30 20 DJED O=C(/C=C\c1cccc(-c2ccccn2)c1)c1ccnc(Cl)c1 782195546 ZTMIQHUVKRZJTP-FPLPWBNLSA-N 320.779 4.693 30 20 DJED N#Cc1ccc(F)c(CNCc2ccc(C3CCCC3)cc2)c1 812756357 YQGXGFSPDSJYTQ-UHFFFAOYSA-N 308.400 4.645 30 20 DJED CSC(C)(C)CC=NOCc1ccc(C(F)(F)F)cc1 814882637 UASQSELBWFNIJS-UHFFFAOYSA-N 305.365 4.740 30 20 DJED CC[C@H](C)CCCCC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842944130 IWRMNTCSSMXMRO-JSGCOSHPSA-N 304.459 4.803 30 20 DJED C=C[C@@H](Cc1nc(-c2cccc(Cl)c2)no1)c1ccccc1 904289653 IGBAXPMRSUKLHR-ZDUSSCGKSA-N 310.784 4.902 30 20 DJED C=CCN(Cc1ccccc1)C(=S)Nc1ccc(C)cc1C 914601798 UEMWKYUMFGXOQX-UHFFFAOYSA-N 310.466 4.688 30 20 DJED CC(=NNc1ccc(C)cc1)c1sc(C(C)(C)C)nc1C 915110386 UHQSECROPDWPKW-UHFFFAOYSA-N 301.459 4.894 30 20 DJED O=C(/C=C/c1ccc2ncccc2c1)c1nc2ccccc2s1 917613651 LORUSCMVDWHGLF-CSKARUKUSA-N 316.385 4.741 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2ccc3ccccc3c2)cc1 920971536 ZBDRFSBYMIVKAH-UHFFFAOYSA-N 314.388 4.709 30 20 DJED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1coc2ccccc12 925927112 YMQOIUIBBLBIJL-AWEZNQCLSA-N 302.377 4.644 30 20 DJED CCc1ccc([C@@H](C)C(=O)O[C@@H](C)c2cccc(C#N)c2)cc1 1127021699 UWVPRLZHWHAXIV-CABCVRRESA-N 307.393 4.529 30 20 DJED N#Cc1nc(N2CCCC3(CCCCCC3)C2)sc1Cl 1185575014 VNQQEQWNRBAUCF-UHFFFAOYSA-N 309.866 4.609 30 20 DJED CC(C)COc1cccc(CN2CCCc3cc(C#N)ccc32)c1 1194691870 LXBMVKZEVFGPKC-UHFFFAOYSA-N 320.436 4.546 30 20 DJED CCC(CC)CN(CCC#N)C[C@@H](C)c1cc(F)cc(F)c1 1204496289 FCUPYFJQGISGRW-CQSZACIVSA-N 308.416 4.720 30 20 DJED C[C@@H](OC(=O)c1ccc(C(F)F)cc1F)c1cccc(C#N)c1 1266018761 JDKGWAKKLPQCNW-SNVBAGLBSA-N 319.282 4.553 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)CCc1cccc2ccccc12 1307442587 MQYLWZTYRSTSDI-QGZVFWFLSA-N 314.432 4.947 30 20 DJED N#CCSc1cccc(C(=O)Nc2ccc3ccccc3c2)c1 1351795597 NLHSUDCULZLDMK-UHFFFAOYSA-N 318.401 4.708 30 20 DJED CC[C@H](CC1CCCC1)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 1537067566 IEBHTBITHKMYGH-CRAIPNDOSA-N 312.457 4.684 30 20 DJED C=C(Cl)CNC(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C 1562577840 PTVGJXLYIBGDBD-UHFFFAOYSA-N 306.837 4.520 30 20 DJED N#Cc1ccc(OCCc2ccc3ccccc3c2)c(Cl)c1 1640790672 DYSGTOOQDWRPQI-UHFFFAOYSA-N 307.780 4.986 30 20 DJED Cc1cc(Nc2ccc3nc(C(C)C)sc3c2)ncc1C#N 1642165365 GKCNQRNGCGGDRG-UHFFFAOYSA-N 308.410 4.738 30 20 DJED CC(C)c1ccc(C[C@@H](C)Nc2nc(Cl)c(C#N)s2)cc1 1642449920 WYMWXJTWGFCZAN-LLVKDONJSA-N 319.861 4.835 30 20 DJED CC(C)(C)c1ccc(C(C)(C)CNc2ncccc2C#N)cc1 1642521891 MGFCFVMOXOGJMA-UHFFFAOYSA-N 307.441 4.640 30 20 DJED N#Cc1ccc(SC[C@H](O)c2ccc(Cl)cc2Cl)cc1 1651772203 UMXRZPIFJLWOLK-HNNXBMFYSA-N 324.232 4.691 30 20 DJED N#Cc1ccc(CCOc2c(F)cc(Cl)cc2Cl)cc1 1652909783 YZPQWQDNAIBOPO-UHFFFAOYSA-N 310.155 4.626 30 20 DJED C[C@H](c1cccc(C#N)c1)N1CCC(=Cc2ccccc2F)CC1 1653782166 PQWCQZSVJRLIFO-MRXNPFEDSA-N 320.411 4.938 30 20 DJED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(C#N)c(Cl)c1 1657862222 LGHCFZVKAVVHNA-WBMJQRKESA-N 319.836 4.644 30 20 DJED Cc1c(NN=C2CC[C@H](C)c3ccccc3C2)cccc1C(=O)O 1776089561 YHUYUJQBIKBFDP-ZDUSSCGKSA-N 322.408 4.601 30 20 DJED O=C(/C=C/c1cccc(Br)c1)c1ccc(F)cc1F 6337356 BWLVXOKRCJWFIL-QPJJXVBHSA-N 323.136 4.623 30 20 DJED CCc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 66802034 ZWCONWNJSUCKIX-AWEZNQCLSA-N 324.449 4.896 30 20 DJED CC(=O)Nc1cccc(C(=O)/C=C\c2cccc3ccccc23)c1 97993058 TVEHTGYQXKUOHE-SEYXRHQNSA-N 315.372 4.694 30 20 DJED C[C@H](NC[C@H](C#N)CCC#N)c1ccc(Oc2ccccc2)cc1 112540515 MXMDMKTYIGCGGC-IRXDYDNUSA-N 319.408 4.573 30 20 DJED C[C@H](CCC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccccc1 125194755 QGYLTHWQJSAXOS-XLIONFOSSA-N 320.436 4.732 30 20 DJED C=C(C)COc1cccc(NCc2ccc(O[C@H](C)C#N)cc2)c1 129267053 VXNXFDMEOPGNIB-MRXNPFEDSA-N 322.408 4.544 30 20 DJED C[C@H](SCc1csc(C2CC2)n1)c1ccc(C#N)cc1 135257525 TZBIXVQRXRLBJA-NSHDSACASA-N 300.452 4.887 30 20 DJED C[C@H](NCc1ccc(C#N)s1)c1ccc(Cl)c(Cl)c1 135667600 XGVHMYLZIMAEAG-VIFPVBQESA-N 311.237 4.777 30 20 DJED Cc1cc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)ccc1Cl 152473141 SXTCZTSKJJDLRT-GFCCVEGCSA-N 318.829 4.718 30 20 DJED C[C@@H](NCc1cccc(C#N)c1)c1ccc(OC(C)(C)C)cc1 156770314 ZUXLIGXLCYICOD-OAHLLOKOSA-N 308.425 4.586 30 20 DJED C=CCN(C)C(=O)Nc1ccc(OCc2cccc(C)c2)cc1C 157346806 CZQBFWNDALPGBY-UHFFFAOYSA-N 324.424 4.532 30 20 DJED C=CCC(CC=C)C(=O)Nc1cnccc1Oc1ccccc1 177057449 ITDHKHJNRBHSGP-UHFFFAOYSA-N 308.381 4.581 30 20 DJED Cc1cc([C@H](C)NCc2ccc(Cl)cc2C#N)c(C)s1 187414334 WJOSNSRVVPTSFF-NSHDSACASA-N 304.846 4.741 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)COCCCCC 189870701 OTFCDSYPNZHDFW-UHFFFAOYSA-N 303.446 4.684 30 20 DJED C[C@H](c1ccccc1Cl)N(C)Cc1cccc(C#N)c1F 219517598 KEAXDGDSGBNJLI-GFCCVEGCSA-N 302.780 4.544 30 20 DJED C=CCn1c(SCc2cccc(C(F)F)c2)nnc1C1CC1 279963321 NUJOXXQENQYGCQ-UHFFFAOYSA-N 321.396 4.571 30 20 DJED N#CC1(CCCNc2ccc(Cl)cc2Cl)CCOCC1 281386967 ZGOHEALRQGKXQR-UHFFFAOYSA-N 313.228 4.506 30 20 DJED COc1cc2nc(C)sc2cc1N=C(O)C(C1CC1)C1CC1 328755622 SZMNYGFQQOEDMA-UHFFFAOYSA-N 316.426 4.638 30 20 DJED Cc1nc2c(/C(O)=N/C[C@@H]3CCCCC(F)(F)C3)cccc2o1 329138468 DVKYJXKTKDAFMM-GFCCVEGCSA-N 322.355 4.656 30 20 DJED C/C(O)=N/[C@H](/C(O)=N/C[C@@H]1C[C@H]1C1CCCCC1)C1CCCC1 329338805 NIGDZZNLGTVQER-BZSNNMDCSA-N 320.477 4.695 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1ccc(-c2cccs2)o1 348525687 PPLGEGBFBKGTHL-UHFFFAOYSA-N 316.426 4.553 30 20 DJED C=CC[C@@H](C(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccccc1 437438203 IQELFBGRNQMCNF-MISYRCLQSA-N 323.411 4.548 30 20 DJED C[C@H](N[C@@H]1CCCc2c(F)cc(F)cc21)c1ccc(C#N)cc1 453230838 IDXMWHKXNIECCO-HXPMCKFVSA-N 312.363 4.565 30 20 DJED C=CCCCC(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1 470686590 VAPHOCJYOHLMOZ-UHFFFAOYSA-N 305.849 4.576 30 20 DJED N#CC[C@H](CC(=O)N(CC1CC1)C1CCCCC1)c1ccccc1 475590790 SANBBJFUUHICLC-LJQANCHMSA-N 324.468 4.645 30 20 DJED CCSc1cccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1 476059054 FSHNFUNCBDJRDW-UHFFFAOYSA-N 324.449 4.852 30 20 DJED C[C@@H](N[C@@H]1CCCc2ccc(F)cc21)c1ccc(C#N)c(F)c1 479473266 WPNPDHSNAWHFBF-CWTRNNRKSA-N 312.363 4.565 30 20 DJED C=C(C)CN1CCC(N[C@H](C)c2ccc3ccccc3c2)CC1 482632144 UFPUCZFNLPNRMO-QGZVFWFLSA-N 308.469 4.531 30 20 DJED N#Cc1ccc(Cl)cc1Oc1nc(-c2ccccc2)ns1 500738307 FMCWYGLAIHMKRM-UHFFFAOYSA-N 313.769 4.522 30 20 DJED N#CCCCCN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 511138563 NXEINMDWXCZQSN-HNNXBMFYSA-N 310.363 4.579 30 20 DJED C=CCN(Cc1cccs1)C(=O)C[C@H](C)C1CCCCC1 511142987 CQDAFLOSIXSFFL-HNNXBMFYSA-N 305.487 4.869 30 20 DJED C=CCC[C@H](NCc1cccc(OCC(F)F)c1)c1ccco1 513703728 ZLLWRVALQRQUKI-INIZCTEOSA-N 321.367 4.721 30 20 DJED CC[C@@H](c1ccccc1OC)N(C)CCCCC(C)(C)C#N 520382351 AWQTYYKZAXLJIW-KRWDZBQOSA-N 302.462 4.798 30 20 DJED CC(C)(C)[C@H](NCc1ccc(C#N)cc1)c1ccc(F)cc1F 532075097 UBMUIWPFOGUTBM-GOSISDBHSA-N 314.379 4.713 30 20 DJED C=C[C@H](CC(=O)Nc1ccc(COC(C)C)cc1)c1ccccc1 533919845 ZCLGXMVBVNUETN-GOSISDBHSA-N 323.436 4.910 30 20 DJED C=CCC[C@@H](CCC)NCCc1nc2ccccc2n1C(F)F 537979487 JBTBURNCNTYKJL-CQSZACIVSA-N 321.415 4.698 30 20 DJED C[C@@H](CN[C@@H](CC(F)(F)F)c1ccc(F)cc1)C(F)(F)F 538177559 ZROKYJFNTXYALK-KWQFWETISA-N 317.248 4.607 30 20 DJED CCCCC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542927534 KCQQTKVIRCCCHH-OAHLLOKOSA-N 306.409 4.593 30 20 DJED COc1ccc(C)cc1[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 565546530 YDLAPNJLFBLGMQ-YWZLYKJASA-N 320.436 4.604 30 20 DJED C[C@@H](N[C@@H]1CC(C)(C)Oc2ccc(F)cc21)c1ccc(C#N)cc1 593717602 DMEVIKHZRROVCS-FZKQIMNGSA-N 324.399 4.650 30 20 DJED CC[C@H](C)Sc1ccc(NC[C@@H](O)CC(C)(C)C#N)c(C)c1 598726676 VIZPDGQQYXEUBG-GJZGRUSLSA-N 320.502 4.598 30 20 DJED CC(C)c1ccccc1NC(=O)N[C@H](C)c1cccc(C#N)c1 610317336 SCWUXGWEUMEJHO-CQSZACIVSA-N 307.397 4.564 30 20 DJED Fc1ccc(NN=Cc2csc(-c3cccs3)n2)c(F)c1 728430332 RBQUXMZBDBXVPH-UHFFFAOYSA-N 321.377 4.596 30 20 DJED Cc1cc(/C=C\C(=O)c2cccc(OC(F)F)c2)ccc1F 729148554 BZOLHBWWOWMVHC-VURMDHGXSA-N 306.283 4.632 30 20 DJED CCOc1ccc(/C=C\C(=O)c2cc(C)cc(C)c2)cc1OC 730435952 DLWWRXUHYOGLTL-VURMDHGXSA-N 310.393 4.607 30 20 DJED O=C1/C(=C/c2ccc(C(F)(F)F)cc2)Cc2cc(F)ccc21 734305625 YMIZEAXKGRDIET-KPKJPENVSA-N 306.258 4.667 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(C)cc2OC)cc1Cl 741466882 BILTULKROGIPBQ-VMPITWQZSA-N 316.784 4.562 30 20 DJED C=CCn1c(SCc2cccc(Cl)n2)nc2ccccc21 743246289 FCKPAJWQCBFSHO-UHFFFAOYSA-N 315.829 4.563 30 20 DJED C=CCN(C(=O)Nc1ccc(OCCC(C)C)cc1)C(C)C 746034903 KRPWGZNTFODHDZ-UHFFFAOYSA-N 304.434 4.540 30 20 DJED C=CCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 749025189 BEOAPGFQXSKYMK-OAHLLOKOSA-N 310.422 4.651 30 20 DJED CC(Cc1nc2ccccc2s1)=NNc1c(F)cccc1F 749164641 JPIADLNJZHXFBJ-UHFFFAOYSA-N 317.364 4.605 30 20 DJED N#Cc1csc(C(=O)Nc2ccc(-c3ccccc3)cc2F)c1 752291205 VKGGAMIHFUSJPA-UHFFFAOYSA-N 322.364 4.678 30 20 DJED C/C(=C/c1ccccc1Cl)C(=O)N(CCC#N)CC(C)(C)C 755865650 BLVNUPGOYGHGNY-OWBHPGMISA-N 318.848 4.532 30 20 DJED C#CC[C@H](NCc1cccc(OC2CCCC2)c1)c1ccccc1 756997102 UXYZBESPKXKGJV-QFIPXVFZSA-N 319.448 4.862 30 20 DJED CCCCCCCCC(=O)Nc1ccccc1O[C@H]1CCOC1 760048994 GWHUNRAGOZRTJN-INIZCTEOSA-N 319.445 4.543 30 20 DJED CCc1oc2ccccc2c1C=NOCc1cnc(Cl)s1 760346490 LSJVXTIULWVWQO-UHFFFAOYSA-N 320.801 4.656 30 20 DJED O=C(/C=C\c1cccc(-c2cccnc2)c1)c1ccc(F)cc1 768481914 CCHVXKRQMKGUQW-WDZFZDKYSA-N 303.336 4.784 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2ccc(C(F)(F)F)cc2)c(F)c1 772806161 KKZGMQXBJQZJKR-YVMONPNESA-N 319.257 4.612 30 20 DJED CC[C@H](N[C@@H](C)c1nc2ccccc2s1)c1ccc(C#N)cc1 774193099 SMISZFLGBBIMPP-BBRMVZONSA-N 321.449 4.970 30 20 DJED Cc1cc(SC(C)(C)C)ccc1NC(=O)NCC(C)(C)C#N 781851048 MTZXLTJMXZTDJE-UHFFFAOYSA-N 319.474 4.557 30 20 DJED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1sccc1Cl 782340727 FDVQFAOCWRDPPB-SNAWJCMRSA-N 307.758 4.514 30 20 DJED C#CCCCCCC(=O)Nc1cc(Cl)c(Cl)cc1OC 791121882 ZOGBGSPWSQMLDD-UHFFFAOYSA-N 314.212 4.524 30 20 DJED COc1ccc(-c2ccccc2)cc1/C=C/C(=O)c1cc(C)on1 806556201 PKSQHCKPOFTHKK-CSKARUKUSA-N 319.360 4.555 30 20 DJED COc1ccc(/C=C\C(=O)c2csc(Cl)c2)c(C)c1OC 806572456 GKYFQNOPACRJSZ-XQRVVYSFSA-N 322.813 4.623 30 20 DJED C[C@H]1/C(=C/c2cccc(OC(F)F)c2)C(=O)c2ccccc21 809159777 WNOXQRHBDFEWOP-FFCYNSPCSA-N 300.304 4.671 30 20 DJED CC(=C/c1ccccc1)/C=C/C(=O)c1ccc([N+](=O)[O-])cc1F 821007222 GCDGZINIHBPLFZ-LFZMHEMLSA-N 311.312 4.576 30 20 DJED CC1=C(C)C[C@@H](C(=O)[C@@H](C#N)c2ccc3ccccc3n2)CC1 842682282 TZKVXGCJGRFKFQ-IRXDYDNUSA-N 304.393 4.548 30 20 DJED C=CCN(Cn1cc(C(F)(F)F)cc(Cl)c1=S)C(C)C 917482981 PMXYTGDUNCPJCT-UHFFFAOYSA-N 324.799 4.744 30 20 DJED C=C(Br)CN[C@@H](C)c1ccc(SC(C)C)cc1 1192557060 LZERPRYKYOGOBM-LBPRGKRZSA-N 314.292 4.746 30 20 DJED CC[C@@H](NCCC1(C#N)CCCCC1)c1ccccc1OC 1197143727 ACPPFPCBTVDCPB-QGZVFWFLSA-N 300.446 4.600 30 20 DJED CCN(Cc1coc2ccccc12)[C@@H](C)c1ccc(C#N)cc1 1308617442 AGDGWSLMPAPNBR-HNNXBMFYSA-N 304.393 4.888 30 20 DJED CCCN(C(=O)c1ccc(C#N)cc1F)[C@H](CC)c1ccccc1 1354334783 KWMXSUMGZFIVDX-LJQANCHMSA-N 324.399 4.701 30 20 DJED N#CC1(CC(=O)N2CCCCC[C@@H]2c2ccccc2)CCCCC1 1434952997 JHERHGDHZJMIPS-LJQANCHMSA-N 324.468 4.994 30 20 DJED CC(C)CC[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)C(C)(C)C 1435173452 ULEUNLRTRWEHBL-INIZCTEOSA-N 320.864 4.792 30 20 DJED CC(C)C[C@H](NC(=O)Nc1sccc1C#N)c1ccccc1 1476828595 VUXABYNBKRTIMJ-HNNXBMFYSA-N 313.426 4.529 30 20 DJED C[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1523664741 SSVWAEUEOTVIGL-CABCVRRESA-N 320.392 4.725 30 20 DJED CCCC[C@@H](CC)CCCN(C)C(=O)c1cc(C#N)ccc1C 1533373207 JNSRYAMEFLECAY-QGZVFWFLSA-N 314.473 4.935 30 20 DJED C[C@@H](CC1CCCCC1)C(=O)Nc1cc(C#N)c2ccccc2n1 1539551183 CSBNQXDQLDYMPP-AWEZNQCLSA-N 321.424 4.651 30 20 DJED CCCN(CC)CCC(C#N)(c1ccccc1)c1ccccc1 1615318814 NTFTZCXKRWRMHZ-UHFFFAOYSA-N 306.453 4.618 30 20 DJED N#Cc1nc(N[C@H]2CCC[C@H](c3ccccc3)C2)sc1Cl 1642666342 CKASTPIVMFCBNR-STQMWFEESA-N 317.845 4.806 30 20 DJED C[C@H]1CCN(C)c2ccccc2N1CCC1(C#N)CCCCC1 1644794151 FIPUOEOVPVMXHX-KRWDZBQOSA-N 311.473 4.586 30 20 DJED Cc1ccc2c(c1)CN(CCC1(C#N)CCCCC1)C(C)(C)C2 1645833093 RDQGERKDQBCKCP-UHFFFAOYSA-N 310.485 4.996 30 20 DJED C=C(Br)CNC[C@H](C)Cc1ccc(C(C)(C)C)cc1 1649176070 VNZHSZCTIZTFKW-CYBMUJFWSA-N 324.306 4.661 30 20 DJED N#Cc1cccc(Br)c1NCc1ccccc1Cl 1649218687 VFMKGWFMBYLGDM-UHFFFAOYSA-N 321.605 4.586 30 20 DJED COc1cc(C#N)ccc1CN1C[C@@H](C(C)(C)C)c2ccccc21 1654317835 LCQUDSDVGMPRQN-GOSISDBHSA-N 320.436 4.717 30 20 DJED N#Cc1ccc(CN2CCCSc3cc(Cl)ccc32)s1 1654518470 OXYWQPOMGXOTBV-UHFFFAOYSA-N 320.870 4.776 30 20 DJED COc1ccc(C#N)cc1N[C@@H]1CC=C(c2ccc(F)cc2)CC1 1657717485 RKGSYQJDYMTVLJ-GOSISDBHSA-N 322.383 4.754 30 20 DJED CC(C)[C@H]1/C(=C\c2ccc(F)c(C(=O)O)c2)C(=O)c2ccccc21 1776308895 WEKRZSYMOPGPHR-GANRHZMWSA-N 324.351 4.543 30 20 DJED CCCc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)sc1C 78736023 XTUWIMZVYUBMNX-ZDUSSCGKSA-N 324.405 4.640 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCCCC(C)(C)C#N 153950796 SKIRXIOCWAEMNC-AWEZNQCLSA-N 301.459 4.823 30 20 DJED Cc1ccc(-c2nnc([C@@H](C)Sc3cccc(C#N)c3)o2)cc1 158654681 KGISIKYCTMQQNT-CYBMUJFWSA-N 321.405 4.770 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1cc(F)ccc1Cl 171225600 NOWTZSGUQNCXDV-UHFFFAOYSA-N 324.808 4.761 30 20 DJED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(OC(F)F)cc1 174358018 SPGYFQCHEWBQDW-QWHCGFSZSA-N 316.351 4.571 30 20 DJED C=C(C)[C@@H](N[C@@H](C)c1ccc(C)cc1O)c1ccc(F)c(F)c1 186446437 HSFNIVAJMFKWEM-ORAYPTAESA-N 317.379 4.947 30 20 DJED C=CCN(C(=O)Cc1cccc2ccccc12)c1ccccc1 248024277 VQEPTJIQHLWDFL-UHFFFAOYSA-N 301.389 4.602 30 20 DJED N#Cc1ccc(Oc2ccc(Oc3ncncc3Cl)cc2)cc1 302658988 OPBPXEJTJSIXIF-UHFFFAOYSA-N 323.739 4.586 30 20 DJED CC1(C)C[C@H](/N=C(/O)c2ccnc(C3CC3)c2)c2ccccc2O1 329631095 IERGGTVZPGIJHH-KRWDZBQOSA-N 322.408 4.566 30 20 DJED C[C@@H](CC#N)Sc1ccccc1N/C(O)=N/[C@H]1CC[C@@H](C)C1 331279131 APIUFFXJQWYTHX-RDBSUJKOSA-N 317.458 4.595 30 20 DJED C[C@@H]1C[C@H](N[C@H]2CCCc3cc(C#N)ccc32)c2ccccc21 341681609 HBDZVKWAWLOUHF-OREJSRFESA-N 302.421 4.774 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCSc2ccccc21 341760151 JLIIJKKVTXOPTO-MOPGFXCFSA-N 320.461 4.762 30 20 DJED N#Cc1cccc(SCc2csc(Cc3ccccc3)n2)c1 435043149 PKQBWAFEWGVUOD-UHFFFAOYSA-N 322.458 4.898 30 20 DJED C=CCCSCc1ncc(-c2cccc(Br)c2)o1 437286527 JSQPFPZLXWIIRQ-UHFFFAOYSA-N 324.243 4.913 30 20 DJED C=C[C@@H](Cc1nc(-c2ccc(C(C)C)nc2)no1)c1ccccc1 445522234 ZCCGFNPNTBVVPJ-HNNXBMFYSA-N 319.408 4.767 30 20 DJED Cc1cc(C#N)cc(NC(=O)N2CCCCC[C@@H]2c2ccco2)c1 456014303 XRUBJYAKFYCHAC-QGZVFWFLSA-N 323.396 4.609 30 20 DJED C=CC[C@@H]1N(C(=O)c2ccc3ncsc3c2)CCCC1(C)C 470277189 KHQTXCJPTMHXPV-INIZCTEOSA-N 314.454 4.503 30 20 DJED CC(C)(C#N)CCCNC1(c2ccc(Cl)c(Cl)c2)CC1 472443084 QZWYXGOCMPDCSM-UHFFFAOYSA-N 311.256 4.902 30 20 DJED CCC(C)(C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 472697713 KAGHWGZBKCXBCZ-UHFFFAOYSA-N 323.396 4.661 30 20 DJED C=C(C)[C@@H](NC(=O)[C@H](C)c1ccccc1)c1ccc(F)c(F)c1 475670870 IICJWHVNKXAAGA-FZKQIMNGSA-N 315.363 4.502 30 20 DJED COc1ccc([C@@H](C)N[C@H]2CCCCc3cc(C#N)ccc32)cc1 481927569 YPBYBYIVBMJCIP-VFNWGFHPSA-N 320.436 4.685 30 20 DJED CC(C)C[C@@H](NCc1ccc(C#N)c(F)c1)c1cccs1 483710759 NDFMOYLIKOONMY-MRXNPFEDSA-N 302.418 4.636 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CC1CCCCC1 500300516 BBKCKOUOJYPKRD-UHFFFAOYSA-N 312.457 4.513 30 20 DJED Cc1cc(CNc2cccc(OCCCC#N)c2)ccc1Cl 503567894 DMQQNZHWTNEIJC-UHFFFAOYSA-N 314.816 4.943 30 20 DJED CCC[C@@H](C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 518728592 LUASXKFFQBIZTE-CQSZACIVSA-N 308.381 4.725 30 20 DJED N#Cc1ccc(S[C@H](c2ccccc2)c2ccc(F)cc2)nc1 525111606 PQAJLZJINZKSCL-LJQANCHMSA-N 320.392 4.974 30 20 DJED C[C@H](NC[C@H]1CCCC[C@H]1C(F)(F)F)c1cccc(C#N)c1 554366048 WBZAZNKBJBSPEM-APHBMKBZSA-N 310.363 4.578 30 20 DJED C=CCCSCC(=O)N(c1ccccc1)C1CCCCC1 554962363 KYQJVMMHUIFDLP-UHFFFAOYSA-N 303.471 4.662 30 20 DJED CC(C)(CCC#N)CNC(=O)c1ccc(C(C)(C)C)c(Cl)c1 564513003 GWSVHMSXJVZBDX-UHFFFAOYSA-N 320.864 4.697 30 20 DJED CC[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 567285405 WFCYUWXVTDCNPE-MOPGFXCFSA-N 310.828 4.940 30 20 DJED Cc1ccc([C@@H](c2noc(C3(C#N)CCCC3)n2)C(C)C)cc1 582512998 ITIITYOCFYQXAO-INIZCTEOSA-N 309.413 4.501 30 20 DJED C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)CCCCCC#N 588632084 QUEJEMGUUGRGGP-GJZGRUSLSA-N 320.864 4.764 30 20 DJED N#CC1(CC(=O)Nc2ccc3nc(C4CC4)oc3c2)CCCCC1 597360919 NKMGWQBGCWEFQE-UHFFFAOYSA-N 323.396 4.508 30 20 DJED Cc1c(Cl)cccc1-c1ccc(C2(C#N)CCOCC2)cc1 600851457 ZJKNBPUOGYYUMW-UHFFFAOYSA-N 311.812 4.887 30 20 DJED C=CCC[C@H](NCc1oc2ccccc2c1OC)c1ccco1 671762206 YRBFUUHLPMHZLY-HNNXBMFYSA-N 311.381 4.832 30 20 DJED Cc1ccc(Cl)cc1C(=O)[C@H](C#N)c1ccc2ccccc2n1 677083363 KDAXOVOGUOWAQX-MRXNPFEDSA-N 320.779 4.687 30 20 DJED C(=Nn1cnc2ccccc21)C(c1ccccc1)c1ccccc1 725849380 GAEJGPRZYVCYCT-UHFFFAOYSA-N 311.388 4.702 30 20 DJED C[C@H](c1ccccc1)c1ccc(OC(=O)C2(C#N)CCCC2)cc1 728851777 FBFOODQYEWWRGZ-MRXNPFEDSA-N 319.404 4.828 30 20 DJED Cc1cccc2c1C/C(=C/c1csc(Br)c1)C2=O 729151482 SHXKAULQMYWWNJ-WZUFQYTHSA-N 319.223 4.641 30 20 DJED C#Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)c1 730742981 XJFFHIUIGMYUBN-LEWJYISDSA-N 311.384 4.563 30 20 DJED COc1cc(/C=C/C(=O)c2sccc2C)ccc1OC(F)F 733749026 ATVLDVWQXMCKCD-HWKANZROSA-N 324.348 4.563 30 20 DJED CC(=NNc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1Cl 734977273 LKLNUECQRWIVAS-UHFFFAOYSA-N 324.167 4.738 30 20 DJED O=C(/C=C\c1cnc2ccc(Cl)cn12)c1cccc(Cl)c1 737443754 LYYDZZPJFJPQGK-WAYWQWQTSA-N 317.175 4.537 30 20 DJED Cc1n[nH]c(C)c1/C=C\C(=O)c1cccc(-c2ccccc2)c1 746345353 FESAEAKKSLZGPN-QXMHVHEDSA-N 302.377 4.590 30 20 DJED CSc1ccc2c(c1)CC/C(=C\c1sccc1C)C2=O 748147260 LUVMCPZMDSQIEC-JLHYYAGUSA-N 300.448 4.991 30 20 DJED O=C1/C(=C\c2csc(Cl)c2Cl)Cc2cc(O)ccc21 761487565 VDGZPONZUXGHHF-YWEYNIOJSA-N 311.189 4.583 30 20 DJED C#CCCCCC(=O)Nc1cc(Cl)c(OCC)c(Cl)c1 767123558 QUDIIXFNHCOVKY-UHFFFAOYSA-N 314.212 4.524 30 20 DJED Cc1ccccc1C1(C(=O)OCCCCC(C)(C)C#N)CCC1 768889510 JLVUNRSCJADMJR-UHFFFAOYSA-N 313.441 4.680 30 20 DJED CC[C@@H](Nc1ccc(OCC(F)F)cc1)c1ccc(C#N)cc1 774300833 DWWJWCYLMVFVPD-QGZVFWFLSA-N 316.351 4.765 30 20 DJED CC[C@@H](C)[C@@H](C(=O)OCCCC(C)(C)C#N)c1ccccc1 781862760 GOGDQCWVIXZLQI-NVXWUHKLSA-N 301.430 4.689 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCSc2c(F)cccc21 787032396 PCMFXDGOQBESOK-MSOLQXFVSA-N 324.424 4.511 30 20 DJED CCCCCCCCC[S@](=O)Cc1ncc(Cl)s1 790137238 FGFYHUVPYVBOEA-SFHVURJKSA-N 307.912 4.796 30 20 DJED COc1ccc(O)c(C=Nc2cc(-c3cccnc3)ccc2C)c1 794834759 TZRNUOFHLHKFFA-UHFFFAOYSA-N 318.376 4.522 30 20 DJED COc1ccc(C(=O)/C=C/c2ccc(C(F)F)cc2)cc1OC 794931314 KXMNKYOVYWBNKY-WEVVVXLNSA-N 318.319 4.538 30 20 DJED CC[C@](C)(C#N)C(=O)Oc1ccc([C@@H](C)c2ccccc2)cc1 796979040 ALIAYUHEUBJDNJ-MGPUTAFESA-N 307.393 4.684 30 20 DJED Cc1nn(C(C)C)cc1/C=C1/CC(C)(C)c2ccccc2C1=O 798370455 NEUBLDJRLSJAJW-GDNBJRDFSA-N 308.425 4.720 30 20 DJED CC(C)N(CCO[C@H](C)C#N)c1ccc(Nc2ccccc2)cc1 801932434 MCETYSRVXNQTDP-QGZVFWFLSA-N 323.440 4.574 30 20 DJED CC(/C=C\C(=O)c1ccco1)=C\c1ccccc1OC(F)F 811693654 OGVPDXXJIXBQJC-UONSLQGUSA-N 304.292 4.723 30 20 DJED CC1CC(=NNc2ncnc3sc(-c4ccccc4)cc23)C1 814727588 YJJZCGLWXSPUOL-UHFFFAOYSA-N 308.410 4.556 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)CC1(C#N)CCCCC1 857628317 USPSWNSQYQPDMN-UHFFFAOYSA-N 317.392 4.514 30 20 DJED Fc1c(Cl)cccc1NN=Cc1ccc(N2CCCCC2)o1 921137997 YNKTWBYFGINGAR-UHFFFAOYSA-N 321.783 4.508 30 20 DJED O=C(/C=C/c1ccc(-c2ccccc2)s1)c1ccnc(F)c1 1117103193 VHIFORNJAIUQSO-SOFGYWHQSA-N 309.365 4.845 30 20 DJED CCC[C@@H](CC(C)C)C(=O)Nc1cc(C#N)cn1C(C)(C)C 1125264037 VSQUWNFGKQVSAP-HNNXBMFYSA-N 303.450 4.516 30 20 DJED N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccc(C2CCC2)cc1 1139447476 OGJILPFQGWVVSR-LJQANCHMSA-N 318.420 4.665 30 20 DJED N#Cc1cccnc1Sc1ccc(Cl)c(C(F)(F)F)c1 1184524419 IAEGRZGLJKRZPH-UHFFFAOYSA-N 314.719 4.777 30 20 DJED CC(C)[C@H](Cc1ccccc1)NCc1ccccc1C(C)(C)C#N 1197771218 YTKUIQIKVIWSJB-NRFANRHFSA-N 320.480 4.845 30 20 DJED CSc1ccc(Nc2ncc(C#N)cc2Cl)cc1Cl 1215065723 QPDDZYRMYSKAIE-UHFFFAOYSA-N 310.209 4.726 30 20 DJED CCCc1c(N[C@@H]2CCC[C@@H](C)C2)cnn1-c1cccc(C#N)c1 1308700043 IVIJBOAFXQWLOD-NVXWUHKLSA-N 322.456 4.687 30 20 DJED CCCc1cccc(CN2CCC(c3ccc(C#N)cc3)CC2)c1 1474727679 KAPZGUAKXCXCIV-UHFFFAOYSA-N 318.464 4.890 30 20 DJED C[C@H]1CCc2sc(NC(=O)[C@H]3CC[C@@H](C)C3)c(C#N)c2[C@@H]1C 1524020344 HFQRRIAZGFPBTK-XQHKEYJVSA-N 316.470 4.680 30 20 DJED CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCCC2 1530061568 CKZJOWUTJDAXJK-KDOFPFPSSA-N 316.470 4.509 30 20 DJED CC[C@H](Cc1ccccc1C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 1533619887 UMHUNYHQIVDFLX-FUHWJXTLSA-N 321.420 4.740 30 20 DJED CC[C@H](C)[C@@H]1CCCCN1Cc1ccc(C#N)cc1OC(F)F 1615600657 MGYDHCLCTNHVOW-BBRMVZONSA-N 322.399 4.560 30 20 DJED CCC1(CC)CCCN(C(=O)Nc2scc(C)c2C#N)CC1 1624564193 IBPDCNDJUFLXPC-UHFFFAOYSA-N 319.474 4.752 30 20 DJED C[C@H]1[C@H](C)CCC[C@H]1CNc1ccc(C#N)c(Br)c1 1639855843 XLQQHTMZTBFHQD-DYEKYZERSA-N 321.262 4.805 30 20 DJED CC(C)(C)OCc1cccc(Nc2ccc(Cl)c(C#N)n2)c1 1643255775 CBCQYJNKPHSWQP-UHFFFAOYSA-N 315.804 4.665 30 20 DJED Cc1nc(C(C)C)ccc1COc1ccc(C#N)c(Cl)c1 1643862162 GMZOGGVQJQNRPV-UHFFFAOYSA-N 300.789 4.618 30 20 DJED CN(CCc1ccc(C(C)(C)C)cc1)Cc1ccc(C#N)cc1 1651917479 ZSCFWBWRBWHKFH-UHFFFAOYSA-N 306.453 4.530 30 20 DJED CCOc1ccccc1[C@H](CC)NCCC1(C#N)CCCCC1 1653088823 HIHHRQWOLWDLLY-SFHVURJKSA-N 314.473 4.990 30 20 DJED N#Cc1cnc(S[C@H]2CCCc3ccccc32)c(Cl)c1 1655238793 OEDOWQIANISPSZ-HNNXBMFYSA-N 300.814 4.776 30 20 DJED Cc1ccc(C[C@H](C#N)Sc2nc(C(C)C)cs2)cc1 1656699260 WOZVDZOFGTUPNU-CQSZACIVSA-N 302.468 4.802 30 20 DJED CC(C)CCN(C(=O)Nc1ccc(F)c(C#N)c1)C1CCCC1 1666729450 RFIXIHLAUGQOIH-UHFFFAOYSA-N 317.408 4.520 30 20 DJED CCn1cc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)c(C)n1 96569188 DNZGXNFGDNAFKQ-YPKPFQOOSA-N 316.404 4.775 30 20 DJED Cc1c(C(=O)N[C@@](C)(C#N)C(C)C)oc2c1ccc1ccccc12 120704064 NVTNSTXIUSUWMS-FQEVSTJZSA-N 320.392 4.563 30 20 DJED N#Cc1cccc(OCc2ccc(Br)cc2Cl)c1 133681038 GOIBJPFOTIOSGS-UHFFFAOYSA-N 322.589 4.553 30 20 DJED C=CCCCC(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C 177196219 NEYWBLYJBAPWPU-INIZCTEOSA-N 300.446 4.669 30 20 DJED C=CC[C@H](C(=O)Nc1cnn(C2CCCC2)c1C)c1ccccc1 192726710 ICFRJNUHFMOJEE-SFHVURJKSA-N 323.440 4.605 30 20 DJED CCN(Cc1ccccc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 193058081 RTLBNOIYHSCLRK-UHFFFAOYSA-N 321.424 4.542 30 20 DJED CCCOc1ccc(CNc2ccc(CC#N)cc2)cc1OCC 236846065 RRHDXALUPTUTKM-UHFFFAOYSA-N 324.424 4.552 30 20 DJED N#CCc1ccc(NCc2csc(-c3ccsc3)n2)cc1 237835872 YLVXDWJASFWRIT-UHFFFAOYSA-N 311.435 4.550 30 20 DJED Cc1cc(C(=O)/C=C\c2ccc(O[C@H](C)C#N)cc2)c(C)s1 254980161 LNTWZLLOEOEFCI-OJIASSBASA-N 311.406 4.552 30 20 DJED Cc1csc([C@H](C#N)C(=O)/C=C\c2ccc(C(C)(C)C)cc2)n1 255107319 MZFPPLSOBGECPQ-BSDKJSHOSA-N 324.449 4.639 30 20 DJED CC[C@H](C)Sc1ccc(NC(=O)CC(C)(C)C#N)c(C)c1 278191111 DNOSCKHIYLRGGL-ZDUSSCGKSA-N 304.459 4.764 30 20 DJED N#Cc1c(N=C(O)[C@H]2CCCSC2)sc2c1CCCCC2 329597864 CRCSUYVCXIPLSS-NSHDSACASA-N 320.483 4.620 30 20 DJED Cc1cc(C)c(NC(=O)[C@H](C)SCCC(C)(C)C#N)c(C)c1 342009053 SYRSXZZDRXTVRM-HNNXBMFYSA-N 318.486 4.612 30 20 DJED CC[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1cc(F)ccc1F 353274086 OEAXPGIJTFMPSU-OALUTQOASA-N 312.363 4.565 30 20 DJED C=CC[C@@H]1N(C(=O)c2sccc2SC)CCCC1(C)C 443869562 PDPIZIFVMVMMRB-ZDUSSCGKSA-N 309.500 4.677 30 20 DJED CCOc1ccccc1[C@H](CC)NCCCCC(C)(C)C#N 444668382 CCNLJIPMDXTDPE-KRWDZBQOSA-N 302.462 4.846 30 20 DJED C=C[C@](C)(CC)C(=O)N(C)Cc1cccc(Cl)c1Cl 467430754 XCBRJORAGCHRMQ-OAHLLOKOSA-N 300.229 4.554 30 20 DJED C=CCC[C@H](NC(=O)N(C)Cc1ccccc1)c1ccccc1 478887524 KJUVHCSHKLKGJR-IBGZPJMESA-N 308.425 4.536 30 20 DJED C=C(C)[C@H](N[C@H]1CCc2ccc(F)cc21)c1ccc(F)c(F)c1 480696233 UUCCNZCFLJCVFF-OALUTQOASA-N 317.354 4.998 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc(Cl)s1 481638843 AWDYRYBOHXFRSH-INIZCTEOSA-N 316.857 4.830 30 20 DJED C=CCN(CCc1ccco1)C(=O)Nc1ccc(C)c(Cl)c1 486870914 UOJOAJYDLJXEOK-UHFFFAOYSA-N 318.804 4.504 30 20 DJED CC(C)[C@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 498082784 UQUJHAWRNRHIPZ-AWEZNQCLSA-N 308.381 4.581 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1cc(-c2ccc(OC)nc2)ccc1C 512979337 NHIOSWYTUOOXFR-FQEVSTJZSA-N 324.424 4.606 30 20 DJED C[C@H](Nc1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 518686909 CVXYDRKLDGAKAK-LBPRGKRZSA-N 320.314 4.672 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](Cc2ccccc2)C1 522833157 MZABQJNWRDDFNV-FXAWDEMLSA-N 304.437 4.574 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)cc1 525068128 YSHVXMNOCDKMRR-QZTJIDSGSA-N 310.441 4.643 30 20 DJED CC1(C)CCC[C@H](C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 535915054 ROMZYIRIYIYXRW-OTWHNJEPSA-N 324.468 4.501 30 20 DJED C=CCCOCCCCC(=O)Nc1ccc(C(C)(C)C)cc1 537163969 OBTJQEWYOMSYJS-UHFFFAOYSA-N 303.446 4.686 30 20 DJED C=C(CC)CS[C@@H](C)C(=O)Nc1cc(Cl)ccc1F 539094964 GSNLBPWNOXBGLL-JTQLQIEISA-N 301.814 4.506 30 20 DJED N#Cc1ccccc1CN[C@H](c1ccccc1F)C1CCCC1 540423004 NKAFLMDUMKJFQH-FQEVSTJZSA-N 308.400 4.718 30 20 DJED CCC(CC)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542001990 ZFXCCKJWAOOVTO-HNNXBMFYSA-N 320.436 4.839 30 20 DJED CC(C)(c1ccccc1)c1ccc(OC[C@@H](C#N)CCC#N)cc1 559284305 IAXRTMOZYRCASX-QGZVFWFLSA-N 318.420 4.835 30 20 DJED C[C@H]1CC(C)(C)N(C(=O)c2ccc(F)c(C#N)c2)c2ccccc21 560090773 RNJZTCRZDUUMJV-ZDUSSCGKSA-N 322.383 4.630 30 20 DJED C=C[C@@](C)(CC)c1nc(-c2ccccc2COC(C)C)no1 568137120 ULFHNWQSLDHFLO-SFHVURJKSA-N 300.402 4.515 30 20 DJED N#CCCCCCC(=O)Nc1nc2ccccc2n1C1CCCC1 588381269 LFIPQNQKOUTXDU-UHFFFAOYSA-N 324.428 4.564 30 20 DJED CN(CCCCC(C)(C)C#N)[C@H]1CC[C@@H](C(F)(F)F)CC1 588982900 PQQJSGUNTCFJGQ-OKILXGFUSA-N 304.400 4.759 30 20 DJED CCCCc1ccc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 610317054 MKDGXCSJPNSDSZ-HNNXBMFYSA-N 321.424 4.784 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cc2ccccc2[nH]1 685443168 ZRAWLAAWEZFRPQ-UHFFFAOYSA-N 322.456 4.524 30 20 DJED N#Cc1ccccc1OCc1cccc(Cl)c1Br 719509117 HSOCRNOGBIYPSN-UHFFFAOYSA-N 322.589 4.553 30 20 DJED CCC(CC)CN(CCC#N)C(=S)Nc1ccc(Cl)cc1 729642715 REJDZEMAHUNKLV-UHFFFAOYSA-N 323.893 4.689 30 20 DJED CC(CCC1CCCCC1)=NNc1oc(C(C)C)nc1C#N 731926983 VGUFNNOYXZXKQP-UHFFFAOYSA-N 302.422 4.818 30 20 DJED CCSc1cccc(N=Cc2cc3ccccc3nc2O)c1 733749889 DRPWRUDVTLDIDZ-UHFFFAOYSA-N 308.406 4.803 30 20 DJED CC1(C)CCC(=NNc2ncnc3c2oc2ccccc23)CC1 735972390 AVMJPLKYXMKTMF-UHFFFAOYSA-N 308.385 4.744 30 20 DJED CC(CCc1ccccc1)=NNc1cccc(C(F)(F)F)n1 739422072 RTQAIOOEDBTRQD-UHFFFAOYSA-N 307.319 4.521 30 20 DJED C/C=C\COc1ccc(CCC(C)=NOCc2cccnc2)cc1 746587287 MRIZPCURVBCPBI-VMKDYMRFSA-N 324.424 4.562 30 20 DJED CCCC(=NNc1ccc(C(F)(F)F)nn1)C1CCCCC1 754710109 HOQUYJNAHRYEFE-UHFFFAOYSA-N 314.355 4.644 30 20 DJED Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1ccccc1C#N 755587229 QCEUJVVARZYKTD-KTKRTIGZSA-N 310.422 4.517 30 20 DJED C#CCCCC(=O)Nc1cccc(CSC2CCCC2)c1 757951925 BUXYGGNKLUCDRT-UHFFFAOYSA-N 301.455 4.604 30 20 DJED C#CCC(C)(C)C(=O)N[C@@H](C)c1ccc(Cl)c2ccccc12 767101266 SOSWXCHBHUSHLV-ZDUSSCGKSA-N 313.828 4.720 30 20 DJED CCCCC[C@@H](CC)C(=O)N[C@H](CCC#N)c1ccccc1 775781401 BMKKQDHVQGPIIX-SJLPKXTDSA-N 300.446 4.754 30 20 DJED N#CCSCCCN[C@H](c1ccccc1)C1CCCCC1 776005890 JXXCZIBYJSCSOT-GOSISDBHSA-N 302.487 4.544 30 20 DJED C#CCCCCCC(=O)N1CCC[C@@H]1[C@H](CC)c1ccccc1 780443228 RWLJTVWBXHPZCG-WOJBJXKFSA-N 311.469 4.755 30 20 DJED O=C(/C=C/c1sc2ccccc2c1Cl)c1cncs1 787172934 SCEKYDHLCNUVNN-AATRIKPKSA-N 305.811 4.907 30 20 DJED C=CCCCCC[C@@H](C)Nc1cc2c(cc1OC)CCC(=O)N2 793550436 FTAIKHSWGWBNCK-CQSZACIVSA-N 316.445 4.517 30 20 DJED O=C(/C=C\c1cscc1Br)c1cccc(F)c1 794692760 WGUBZNMCSHSHAH-PLNGDYQASA-N 311.175 4.546 30 20 DJED C/C(=C/C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)c1ccccc1 797567150 YYUIWSNJDWXRSA-VSKPTYQZSA-N 324.449 4.720 30 20 DJED C[C@H](CC1CCCC1)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797573003 MFHFNNJIOSKVSZ-OCCSQVGLSA-N 318.486 4.833 30 20 DJED C#Cc1ccc(CNc2cccc(CCC(F)(F)F)c2)cc1 809597351 OXXQVORBAXULCE-UHFFFAOYSA-N 303.327 4.775 30 20 DJED CCCCCCCCC(=O)Nc1sc2c(c1C#N)CCC2 822526567 HOIBLRIXEKOEBM-UHFFFAOYSA-N 304.459 4.798 30 20 DJED Fc1cccc(CON=Cc2ccccc2C(F)(F)F)c1F 836494463 RDRZJPZVMMGNRK-UHFFFAOYSA-N 315.241 4.534 30 20 DJED CC[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1cc(C)ccc1C 858296070 NVNGNNPDMAKMME-LAUBAEHRSA-N 322.452 4.835 30 20 DJED CCCOc1ccc(/C=C\C(=O)c2ccc(OC)c(F)c2)cc1 917614509 WILAHYDTXFBJMB-POHAHGRESA-N 314.356 4.519 30 20 DJED CCCCCCCCCN(C)C(=O)N[C@H](C)c1cccnc1 919655696 WSAITRSNORHHQN-MRXNPFEDSA-N 305.466 4.535 30 20 DJED CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)s1 1124653237 OJQMSAKAKZMHRA-UHFFFAOYSA-N 318.829 4.823 30 20 DJED CN(C(=O)CC1(C#N)CCCCC1)c1ccc2ccccc2c1 1348089018 ITTNMOXJRZKXBC-UHFFFAOYSA-N 306.409 4.667 30 20 DJED Cc1cc(CN(C)CCc2cccc3ccccc23)ccc1C#N 1461882786 VQUOIAJAKRBKLX-UHFFFAOYSA-N 314.432 4.694 30 20 DJED Cc1c(Cl)cnc(N[C@@H](c2ccc(F)cc2)C(C)C)c1C#N 1472766286 SOBOLSBMZODCPI-MRXNPFEDSA-N 317.795 4.863 30 20 DJED N#Cc1c(F)cccc1Sc1ncnc2c1oc1ccccc12 1472817839 LSVBPWLVBWWRON-UHFFFAOYSA-N 321.336 4.538 30 20 DJED CC(C)(C)CC(C)(C)NCc1cc(C#N)ccc1Br 1473148329 VOGWGKQNKZDAAI-UHFFFAOYSA-N 323.278 4.625 30 20 DJED Cc1ccccc1C(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@H](C)CC2 1527165331 SUEKYLMOMZBNQP-YPMHNXCESA-N 324.449 4.866 30 20 DJED CCCCN(C(=O)c1cc(C#N)ccc1C)[C@H](C)c1ccccc1 1532403622 WFMOGXKTPSTYBX-QGZVFWFLSA-N 320.436 4.870 30 20 DJED CCCC[C@H](CC)CCCN(C)C(=O)c1cc(C#N)cs1 1533372610 FVZMHTQXIPZZSQ-AWEZNQCLSA-N 306.475 4.688 30 20 DJED CC[C@H](CC1CCCC1)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1537067568 IEBHTBITHKMYGH-MAUKXSAKSA-N 312.457 4.684 30 20 DJED N#Cc1nc(N[C@H]2C[C@H](c3ccccc3Cl)C2)sc1Cl 1559201703 GGKNIXJQCGXJTC-KYZUINATSA-N 324.236 4.680 30 20 DJED N#Cc1c(F)cccc1OCc1csc(C2CCCCC2)n1 1613645243 FRSLRMQFWMRTPC-UHFFFAOYSA-N 316.401 4.781 30 20 DJED C[C@H]1C[C@@H]1c1ccc(CN(Cc2ccc(C#N)c(F)c2)C2CC2)o1 1621210196 ITBUPJBGTGRCJY-UGSOOPFHSA-N 324.399 4.578 30 20 DJED CC(C)(C)Sc1ccc(Nc2ncccc2C#N)cc1F 1651096591 ZJMFFAAUWXLUGS-UHFFFAOYSA-N 301.390 4.727 30 20 DJED COc1ccc(CSCc2cccc(C#N)c2)cc1Cl 1651966249 FDEHBBYSFXHBSC-UHFFFAOYSA-N 303.814 4.654 30 20 DJED Cc1cccc([C@H]2CCN(Cc3ccc(Cl)cc3C#N)C2)c1 1653266738 BEVXZNOGDXDSCV-KRWDZBQOSA-N 310.828 4.510 30 20 DJED Cc1ccc(C)c(C2CCN(Cc3ccc(CC#N)cc3)CC2)c1 1655017021 NRNOBJKJVLAVOT-UHFFFAOYSA-N 318.464 4.749 30 20 DJED C[C@H](NCCc1ccc(C#N)cc1)c1cccc2ccccc12 1658053795 RGZDIFZNKFJZCR-INIZCTEOSA-N 300.405 4.605 30 20 DJED O=C(/C=C\c1cccc(C(=O)O)c1F)c1ccc2ccccc2c1 1776130982 CQBGRYPSINEHTF-KHPPLWFESA-N 320.319 4.573 30 20 DJED CCCCCCCCCCCN(C)Cc1ccc(C(=O)O)o1 1776784600 OUZVLWHBQNLLIE-UHFFFAOYSA-N 309.450 4.940 30 20 DJED CCOc1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1Cl 37773327 NBZWCNHFMRNKED-GFCCVEGCSA-N 300.789 4.783 30 20 DJED CCOc1ccccc1[C@H](C)N[C@H](CCC#N)c1ccccc1 90664460 JQVQZQXUKYFQKZ-QFBILLFUSA-N 308.425 4.781 30 20 DJED CC(C)(C)CN(CCC#N)Cc1cnc(-c2cccs2)s1 93101216 WREJGCOIXAXKDD-UHFFFAOYSA-N 319.499 4.633 30 20 DJED CCCOc1cc(C)ccc1NCc1ccc(O[C@H](C)C#N)cc1 119867892 ZECZTBZAQQHABQ-MRXNPFEDSA-N 324.424 4.687 30 20 DJED Cc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)c(Cl)c1 123796692 ZGQRLQPRTVWPPL-ZDUSSCGKSA-N 300.789 4.551 30 20 DJED N#Cc1ccc(CNc2ccccc2N2CCCCCC2)s1 157556284 LFADLDOIECFCDE-UHFFFAOYSA-N 311.454 4.612 30 20 DJED COc1ccc(CN[C@H](C)c2ccc3ccccc3c2)cc1C#N 174239636 XDJATQQPOZBUIL-OAHLLOKOSA-N 316.404 4.571 30 20 DJED Cc1sc([C@@H](C)NCCCC#N)nc1-c1ccc(Cl)cc1 184948274 WKJNMUDVOLXNAX-LLVKDONJSA-N 319.861 4.726 30 20 DJED CCCc1cccc(C(C)C)c1NC(=O)c1cc(C#N)cs1 191535109 OFOPMDTVCNPZAN-UHFFFAOYSA-N 312.438 4.948 30 20 DJED N#Cc1ccccc1CN[C@H](c1ccccc1)c1ccc(F)cc1 193489528 VSZFFIWIKXUJIJ-OAQYLSRUSA-N 316.379 4.577 30 20 DJED CC1(C)/C(=C/c2cn3cc(Cl)ccc3n2)C(=O)c2ccccc21 195683924 VELYCAUXYSRASE-CXUHLZMHSA-N 322.795 4.545 30 20 DJED O=C(/C=C\c1ccccc1OCc1cccnc1)c1cccs1 206945092 QOYFJBYRIZOQON-KTKRTIGZSA-N 321.401 4.618 30 20 DJED Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1cccnc1Cl 254942125 KDRVDYCPNSFOIX-FPLPWBNLSA-N 320.845 4.694 30 20 DJED CC[C@@H](Nc1snc(Cl)c1C#N)c1cccc(Cl)c1 301969130 ZUVLXXWOVUZBQT-LLVKDONJSA-N 312.225 4.885 30 20 DJED N#CCOc1cccc(N[C@H]2CCCC[C@H]2c2ccccc2)c1 319957038 UZOSBKYRBNUXGP-PMACEKPBSA-N 306.409 4.727 30 20 DJED C=CC[C@@H](CC)NC(=O)Cc1cc2c(ccc3ccccc32)o1 410136065 UFJKUXSKMYNUPD-OAHLLOKOSA-N 307.393 4.599 30 20 DJED C=CC[C@@H](CC)NC(=O)C[C@H](C)c1ccccc1C(F)(F)F 410138811 IBCZUNNGXOOPMB-QWHCGFSZSA-N 313.363 4.670 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ncc(C(C)(C)C)s1 438537706 ULGPLMZGGJAWTR-UHFFFAOYSA-N 309.479 4.651 30 20 DJED C[C@@H](C#N)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 439016038 WJXDAUWEUSDPIS-KBPBESRZSA-N 310.422 4.638 30 20 DJED C=CCCCCCN(C)C(=O)C1CCC(C(F)(F)F)CC1 469470613 MSOKNZHCDIEMFJ-UHFFFAOYSA-N 305.384 4.560 30 20 DJED N#CC[C@@H](CC(=O)NCCCCC1CCCC1)c1ccccc1 476199553 WCBRBAUDNIXQKF-IBGZPJMESA-N 312.457 4.551 30 20 DJED CC(C)(C#N)CCCSc1nnc(-c2cccc(Cl)c2)o1 476494312 YHYHBMJLDNWONX-UHFFFAOYSA-N 321.833 4.812 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)C1(CC=C)CCC1 477830980 MSGYSXOBIWXUQT-UHFFFAOYSA-N 309.862 4.663 30 20 DJED N#Cc1cc(Cl)ccc1CNc1ccccc1OCC1CC1 478379263 REZMEKGHIMPZQF-UHFFFAOYSA-N 312.800 4.613 30 20 DJED N#Cc1ccc(C(=O)Nc2cccc(Oc3ccccc3)c2)s1 486835689 SFPIQQLQEGZSTN-UHFFFAOYSA-N 320.373 4.664 30 20 DJED C=CCCCCCN(C)C(=O)[C@@H](C)Cc1cncc2ccccc12 498578023 RGBHKSMSNXGCJL-KRWDZBQOSA-N 324.468 4.618 30 20 DJED N#Cc1ccc(-c2nc3cc(Br)ccc3s2)cc1 513858165 VWLXJVJFIRHTLY-UHFFFAOYSA-N 315.195 4.597 30 20 DJED N#Cc1ccsc1NC(=O)CC1CCC(c2ccccc2)CC1 520794075 KCQXQGBQAGUWAO-UHFFFAOYSA-N 324.449 4.922 30 20 DJED C=CCCC[C@H](C)NC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 538368332 BTAFCOLHFQOIQW-GJZGRUSLSA-N 306.425 4.663 30 20 DJED N#CCc1ccc(CNc2cccc(C(F)F)c2Cl)cc1 543659721 XIFYEZJZSFFLPX-UHFFFAOYSA-N 306.743 4.956 30 20 DJED CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 548617080 BXANPRLGNVECHR-OAHLLOKOSA-N 318.848 4.500 30 20 DJED C[C@H](NCc1cc(C#N)ccc1F)c1ccc(F)c2ccccc12 551085346 AZVBUUDGMRKOTI-ZDUSSCGKSA-N 322.358 4.840 30 20 DJED C=CCC(C)(C)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 560120477 DPSUJEVFEMAZQV-HNNXBMFYSA-N 308.425 4.528 30 20 DJED C=C(C)CCc1noc(CCSc2cccc(Cl)c2)n1 572682056 UFSXFHZLKAPXRA-UHFFFAOYSA-N 308.834 4.567 30 20 DJED C[C@@H](NCc1ccc(CC#N)cc1)c1cccc(C(F)(F)F)c1 581630449 MFLMGVSPIXMWKB-CYBMUJFWSA-N 318.342 4.622 30 20 DJED C=C(C)COc1cccc(NC(=O)CCCc2cccs2)c1 589384577 JCCDMGGZGZOVKD-UHFFFAOYSA-N 315.438 4.664 30 20 DJED CCCNc1ccc(Cl)cc1NC(=O)CCCCCC#N 589841292 LUHBRSSZCBYRTH-UHFFFAOYSA-N 307.825 4.574 30 20 DJED Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)cc1C 592973382 FEFQYEXQAUQKBB-CQSZACIVSA-N 324.380 4.542 30 20 DJED C[C@@H]1CCC[C@@H](C(=O)N(Cc2ccco2)c2ccccc2C#N)C1 610171036 GJSOSJSHIYPGPJ-HZPDHXFCSA-N 322.408 4.511 30 20 DJED C=CCCOCCCCC(=O)N1CCC[C@@H](C2CCCCC2)C1 620688620 BDILMSMQJYSRDT-LJQANCHMSA-N 321.505 4.568 30 20 DJED C=CCC(C)(C)c1noc(-c2ccccc2Oc2cccnc2)n1 645629093 XJIRVULWSXXYRV-UHFFFAOYSA-N 321.380 4.778 30 20 DJED CCCc1ccc(C(=O)/C=C/c2ccc(OCCOC)cc2)cc1 730464474 RWZBTNARQQVNDY-NTEUORMPSA-N 324.420 4.560 30 20 DJED COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(F)c(F)c1 730584944 ILLOOOXQZFBAQL-ZZXKWVIFSA-N 308.711 4.523 30 20 DJED C=C(C)CN(CC)C(=O)c1sccc1-c1ccc(F)cc1 744413434 ZZRUKTOBQHHGBA-UHFFFAOYSA-N 303.402 4.592 30 20 DJED COCc1cccc(CON=Cc2cccc(Cl)c2Cl)c1 746557699 JWCVBZKVARRIHH-UHFFFAOYSA-N 324.207 4.691 30 20 DJED CCc1ccc(C(=O)/C=C\c2cccc(OC(F)F)c2)s1 747064151 UGYPZTLFUFCGBZ-VURMDHGXSA-N 308.349 4.808 30 20 DJED CCOc1ccc(/C=C\C(=O)c2ccc(CC)s2)cc1OC 747200772 ITLZVWIZZDUUAU-TWGQIWQCSA-N 316.422 4.614 30 20 DJED CCSc1ccc(C(=O)/C=C/c2ccc(Cl)nc2)cc1 755605470 ZKZZKGGSFSICFW-YCRREMRBSA-N 303.814 4.743 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 758486483 QCAAXEPNINORMQ-UHFFFAOYSA-N 322.408 4.889 30 20 DJED C=C(Cl)COc1ccc([C@H](C)NCc2cccc(F)c2)cc1 764765709 CMMKFMRXXJQBGV-AWEZNQCLSA-N 319.807 4.808 30 20 DJED CC(C)(C#N)CCCCOC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 768648552 JWTKCUDUSYEHQS-JKSUJKDBSA-N 319.832 4.707 30 20 DJED O=C(/C=C\c1cccc(OCc2ccccc2)c1)c1ccco1 769770411 IANVGSRMFSQKJZ-QXMHVHEDSA-N 304.345 4.755 30 20 DJED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1cc(Cl)cs1 782341432 JLPWKPDOURAGRX-PLNGDYQASA-N 307.758 4.514 30 20 DJED Clc1ccc(C2CC(=NNc3cc(Cl)ccn3)C2)cc1 783865062 ZOBDOGYGHPECEG-UHFFFAOYSA-N 306.196 4.734 30 20 DJED CC[C@@](C)(NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1 793461038 WVHHTHAGFJEQNL-WIYYLYMNSA-N 320.436 4.516 30 20 DJED Cc1cccc2c1OC/C(=C/c1ccc(C(F)F)cc1)C2=O 794937893 MGRGTFQHOJDWDH-ZROIWOOFSA-N 300.304 4.591 30 20 DJED C=CCC[C@H](NCCCSc1nccs1)c1ccco1 796770537 CVVWOOXTDSFPSM-ZDUSSCGKSA-N 308.472 4.515 30 20 DJED FC(F)(F)c1ccc([C@@H]2CCC(=NNc3ccccn3)C2)cc1 799470334 URUJVWTUJBGQBY-CYBMUJFWSA-N 319.330 4.836 30 20 DJED CC(/C=C/C(=O)c1cccnc1)=C\c1ccccc1OC(F)F 811685330 PGABAGYOHXDMFX-VKTMSVCMSA-N 315.319 4.525 30 20 DJED CC(=NNc1ccc(C)cc1Cl)c1cnn(C(C)C)c1C 835012679 YORUSWSCVJWRMD-UHFFFAOYSA-N 304.825 4.570 30 20 DJED C=CCN(Cc1ccccc1)C(=O)/C=C\c1ccc(Cl)cc1 914611852 MQFCDIRIWPGNRC-RAXLEYEMSA-N 311.812 4.568 30 20 DJED Fc1ccc(F)c(C=NNc2nc(-c3ccccc3)cs2)c1 915956608 WMSJEKBCZMZDNH-UHFFFAOYSA-N 315.348 4.534 30 20 DJED CCc1c(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)oc2ccccc12 916132098 SQQZCEZWNQVJLR-XFXZXTDPSA-N 321.332 4.800 30 20 DJED CC(=NNc1ncc(Cl)cc1Cl)c1ccc(Cl)cc1 916317136 YYPNTWSCHNKEGA-UHFFFAOYSA-N 314.603 4.878 30 20 DJED CC(C)(C#N)CCCCOC(=O)c1ccsc1C(F)F 924250870 QUSIWMZQELDYJI-UHFFFAOYSA-N 301.358 4.563 30 20 DJED Cc1nc(N[C@H](c2ccc(F)cc2F)C(C)(C)C)ccc1C#N 1162819279 VTMRULLDUXYBMH-QGZVFWFLSA-N 315.367 4.739 30 20 DJED N#Cc1csc(CN[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)c1 1178954517 POKHDQMKIBKHJA-HOCLYGCPSA-N 316.857 4.699 30 20 DJED CN(Cc1cccc(F)c1C#N)C1CCC(C(C)(C)C)CC1 1180385763 ACGWPAMILFSPCM-UHFFFAOYSA-N 302.437 4.734 30 20 DJED CC(C)Oc1ccc(COc2ccc(C#N)cc2F)cc1Cl 1226056562 TWFYUXUNZHSDCK-UHFFFAOYSA-N 319.763 4.717 30 20 DJED Cc1ccc(F)cc1[C@H](C)OC(=O)c1ccc(C#N)c(Cl)c1 1266905320 LCYPCDAAHLYEAD-NSHDSACASA-N 317.747 4.577 30 20 DJED C[C@H](CC(=O)Nc1sc2c(c1C#N)[C@H](C)[C@H](C)CC2)C1CC1 1274492175 KIBXFMXPNMQXMY-IJLUTSLNSA-N 316.470 4.680 30 20 DJED C[C@@H](Sc1ccc(C#N)cc1)C(=O)c1cccc(Cl)c1 1307292824 MFSRHOFOOXJVPS-LLVKDONJSA-N 301.798 4.575 30 20 DJED Cc1cc(F)ccc1C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 1307798048 CPUHDQDGCNQRCG-INIZCTEOSA-N 322.427 4.946 30 20 DJED C[C@@H](CCN1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 1308607489 MOUMKZTXHYQAIL-SFHVURJKSA-N 316.448 4.841 30 20 DJED C[C@H](SCCCC(C)(C)C#N)c1nccn1-c1ccccc1 1323440380 OBUKFNYMEAUPGB-HNNXBMFYSA-N 313.470 4.996 30 20 DJED CCc1c(C(=O)O[C@H](C)c2cccc(C#N)c2)oc2ccccc12 1457760329 MCWNQNOYGPCRBG-CYBMUJFWSA-N 319.360 4.785 30 20 DJED CC(C)[C@@H](NCCc1ccc(C#N)cc1)c1ccc(Cl)cc1 1473478623 BTANVVDJMKDQBA-LJQANCHMSA-N 312.844 4.741 30 20 DJED Cc1cccc(C(=O)Nc2cc3ccccc3cc2C#N)c1C 1535786381 SIVKUUXICWUIOX-UHFFFAOYSA-N 300.361 4.581 30 20 DJED Cc1ccc2oc(C(=O)N(C)c3ccc(C#N)c(Cl)c3)cc2c1 1543991315 BLDYKYJXMIMYRI-UHFFFAOYSA-N 324.767 4.543 30 20 DJED CC[C@H](c1ccccc1)[C@H]1CCCN1Cc1cccc(C#N)c1F 1559566167 ZFHLFQCWMGEBOB-WOJBJXKFSA-N 322.427 4.856 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccsc1C(F)(F)F 1560897982 UCIJNQRJQNSWTO-LLVKDONJSA-N 324.371 4.832 30 20 DJED CC(C)C[C@@]1(C)CCCN1C(=O)Nc1ccc(C#N)cc1Cl 1562491905 WAJWCJKBTROMQK-QGZVFWFLSA-N 319.836 4.644 30 20 DJED N#Cc1ccc(NC(=O)C2=C(c3ccccc3)CCCC2)cc1F 1583076257 YBEKIMAQMGTXLM-UHFFFAOYSA-N 320.367 4.664 30 20 DJED Cc1c(Cl)cccc1-n1ccnc1S[C@H](C)CCC#N 1613369915 CQNQDDOGQKABEF-LLVKDONJSA-N 305.834 4.619 30 20 DJED CCCC[C@H](CCC)NC(=O)Nc1ccc(C#N)cc1Cl 1623230139 DJGPXPOSXCEIBD-ZDUSSCGKSA-N 307.825 4.692 30 20 DJED Cc1ccccc1CC(C)(C)Nc1ncc(Cl)c(C)c1C#N 1642390313 MDHGZKRIVXBSAG-UHFFFAOYSA-N 313.832 4.657 30 20 DJED CCc1ccc(C(=O)CSc2ccc(C#N)cc2Cl)cc1 1643785729 ZFBONEJQASHDRU-UHFFFAOYSA-N 315.825 4.749 30 20 DJED Cc1cc(OCc2csc(-c3ccccc3F)n2)ccc1C#N 1643894689 MPYMXJRGUPKNGE-UHFFFAOYSA-N 324.380 4.708 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@H]1CNc1ncc(C#N)cc1Cl 1650709156 DQOZXCJYZWCMDA-UONOGXRCSA-N 305.853 4.871 30 20 DJED Cc1c(C#N)c(S[C@H]2CCCc3ccccc32)nc2c1CCC2 1651686480 UYXKRJSUDKHFOD-IBGZPJMESA-N 320.461 4.920 30 20 DJED CCC[C@@H](C)[C@H]1CCCN1Cc1cc(Cl)ccc1OCC#N 1657782651 KASKTDZQNJIVCF-RHSMWYFYSA-N 320.864 4.643 30 20 DJED C[C@H](CCC#N)CNc1nc2ccccc2n1C1CCCCC1 1659148657 QIMXZZDNSUBDTO-OAHLLOKOSA-N 310.445 4.893 30 20 DJED C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C[C@H](C)CCC#N 1663672057 MINFWVAYLRNSQW-NEPJUHHUSA-N 311.256 4.852 30 20 DJED CC(C)(C)[C@@H]1CCCC(=NNc2ccc(C(=O)O)cc2)CC1 1776013389 VKNJIVKVFDBELO-CQSZACIVSA-N 302.418 4.779 30 20 DJED CC(C)C[C@@H]1CCCC(=NNc2ccc(F)c(C(=O)O)c2)C1 1776062947 SSCHABMPCBLJIH-LBPRGKRZSA-N 306.381 4.528 30 20 DJED Cc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1C(=O)O 1776114652 VTSJBZXEGOOVHJ-VAWYXSNFSA-N 316.356 4.743 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1ccc(C)c(C)c1C 1776784169 LUXBDFNLFRKONK-IBGZPJMESA-N 319.489 4.905 30 20 DJED N#CCSCCCSc1ncc(-c2ccc(Cl)cc2)o1 75076066 UQJXBBBFRFOJFW-UHFFFAOYSA-N 324.858 4.734 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1F)c1ccc2ccccc2c1 120100806 ARYUAQRWPUTCIH-CQSZACIVSA-N 304.368 4.701 30 20 DJED CCCCCCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 154809685 VGOOSHWBIPSWAK-HNNXBMFYSA-N 312.438 4.957 30 20 DJED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cc(Cl)ccc1O 186150519 DYZPIVZBYQJUSW-DYVFJYSZSA-N 314.816 4.741 30 20 DJED C[C@@H](NCc1cccc2ccccc12)c1ccc(OCC#N)cc1 195260257 RPFYLMJOHPPUMP-MRXNPFEDSA-N 316.404 4.593 30 20 DJED CCOc1cc(/C=C\C(=O)c2ccc(CC)s2)ccc1OC 213375736 QOLKDNYEMZELQE-TWGQIWQCSA-N 316.422 4.614 30 20 DJED N#Cc1ccc(CNC2(c3ccc(Cl)cc3)CCCC2)cc1 237659911 AXSVOIRPDKEVTN-UHFFFAOYSA-N 310.828 4.771 30 20 DJED C=CCC(C)(C)CNC(=O)N(C)Cc1csc2ccccc12 432563060 PJPYWVLNPAQIQF-UHFFFAOYSA-N 316.470 4.645 30 20 DJED CC1=C(C(=O)Nc2sc(-c3ccccc3)cc2C#N)CCC1 437286501 JNCAQQAGYMVIMJ-UHFFFAOYSA-N 308.406 4.726 30 20 DJED N#CC[C@@H]1CC[C@H](N[C@H](c2ccc(Cl)cc2)C2CCC2)C1 453294077 QMSIAUIWQNZFND-KKXDTOCCSA-N 302.849 4.853 30 20 DJED C=CCCCCCN(C)C(=O)N[C@@H]1CCCc2sccc21 468459197 KMMYHBQEZBIDIP-OAHLLOKOSA-N 306.475 4.513 30 20 DJED CC(C)(C#N)CCCN1CCc2[nH]c3ccc(Cl)cc3c2C1 472241484 QGRQJNKSTJKACY-UHFFFAOYSA-N 315.848 4.509 30 20 DJED C=CCC[C@@H](CC)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 480692178 YCWGLAUODUDYCR-QGZVFWFLSA-N 312.457 4.533 30 20 DJED C=CCN(Cc1ccccc1)C(=O)CCc1cc2ccccc2o1 497817834 NQVXFPDXVXZSKP-UHFFFAOYSA-N 319.404 4.580 30 20 DJED CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc(Oc2ccccc2)cc1 499486098 SVFIWCRKIJWSAP-HXUWFJFHSA-N 322.408 4.537 30 20 DJED C=C[C@@H](Cc1nc(-c2ccc(F)c(F)c2)no1)c1ccccc1 534669784 QDWRYPXBYMIMQM-LBPRGKRZSA-N 312.319 4.527 30 20 DJED C[C@@H](N[C@@H]1CCc2c(Cl)cccc21)c1ccc(C#N)c(F)c1 539610053 OBIKWAYAFQPOCS-ADLMAVQZSA-N 314.791 4.689 30 20 DJED C=CCN(Cc1csc(-c2ccc(Cl)cc2)n1)C1CC1 540054815 HMOCLCAZAOOUBP-UHFFFAOYSA-N 304.846 4.614 30 20 DJED C=CCSCCN[C@@H](C)c1sc(-c2ccccc2)nc1C 542827141 PKGOPGMLPMHIMK-ZDUSSCGKSA-N 318.511 4.688 30 20 DJED CC(C)(CCC#N)CN[C@@H](Cc1ccccc1Cl)C1CC1 551200449 IYCFGJKHBAOEDD-KRWDZBQOSA-N 304.865 4.581 30 20 DJED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[C@@H]1C[C@H]1C 563757278 XXSRTJNQKNSGGM-CJNGLKHVSA-N 320.392 4.644 30 20 DJED C=CCCCCCN(C)C(=O)c1nc2ccccc2cc1Cl 574965929 KJKBNHUCCDOEQF-UHFFFAOYSA-N 316.832 4.707 30 20 DJED N#CCCCCCC(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 588150850 HCJPWNWYGCLYJW-UHFFFAOYSA-N 323.396 4.632 30 20 DJED C=C(C)COc1cccc(NC(=O)N(CC)[C@H](C)C(C)C)c1 589739496 QCWQGUNZRFXJIU-OAHLLOKOSA-N 304.434 4.540 30 20 DJED C[C@@H](SCc1ccn(-c2ccccc2)n1)c1ccc(C#N)cc1 609825866 XTVHMYLYRUXNTQ-OAHLLOKOSA-N 319.433 4.738 30 20 DJED CC[C@H](Nc1ccc(C)c(NC(C)=O)c1C)c1ccc(C#N)cc1 618572961 DTKBRFWVDPSIGD-SFHVURJKSA-N 321.424 4.697 30 20 DJED CC(C)(C#N)c1ccc(C(=O)N2CCC(C3CCCC3)CC2)cc1 619437851 QOZHPSBARUYNCF-UHFFFAOYSA-N 324.468 4.530 30 20 DJED N#CCC1(CN[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)CC1 619535098 FTKBCGQRUFDAMW-GOEBONIOSA-N 322.374 4.625 30 20 DJED Cc1cc(C)c([C@H](C)NCc2ccc(C#N)c(Cl)c2)cc1C 619755486 YXLNLKLXUNYSRR-HNNXBMFYSA-N 312.844 4.988 30 20 DJED C#Cc1cccc(N(C(=S)Nc2ccc(C)c(C)c2)C(C)C)c1 728226832 KVWZCMIUQPXKRG-UHFFFAOYSA-N 322.477 4.897 30 20 DJED Cc1cc(C)cc(C(=O)/C=C/c2ccc(OC(F)F)cc2)c1 730436750 LVUPMCJWJLHCFN-VMPITWQZSA-N 302.320 4.801 30 20 DJED Cc1nc(C)c(C=NNc2ccc(Cl)c(Cl)c2)s1 736429640 YLQBNIPNOPTNFI-UHFFFAOYSA-N 300.214 4.513 30 20 DJED Cc1cccc(/C=C\C(=O)c2c(Cl)nc3ccccn23)c1C 737448262 FOFOJGJVSQSUCN-KTKRTIGZSA-N 310.784 4.501 30 20 DJED O=C1/C(=C\c2cccc(C(F)(F)F)c2)CCc2c(O)cccc21 742434971 OSETWIMLZOTGNS-XFXZXTDPSA-N 318.294 4.624 30 20 DJED C=C(C)CCOC(=O)c1c(-c2c(F)cccc2Cl)noc1C 744305096 MUBLEEBRYBZNLR-UHFFFAOYSA-N 323.751 4.566 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1ccc(Cl)cc1 746346493 QBNJBJOFIFHICS-YFHOEESVSA-N 302.805 4.630 30 20 DJED N#Cc1csc(/C=C/C(=O)c2nc(-c3ccccc3)cs2)c1 748440466 LOQXWMHMMTYULB-VOTSOKGWSA-N 322.414 4.639 30 20 DJED CC[C@@H](C)c1ccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1 756233363 BQFWQEJMQAWAPL-CJNGLKHVSA-N 318.376 4.831 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C/c1cccc(-c3cccnc3)c1)C2 768491194 XSUWTSVSYIBLOD-UDWIEESQSA-N 311.384 4.879 30 20 DJED COc1ccsc1C(=O)/C=C\c1cccc(C(F)(F)F)c1 769744020 CWDHBSPYRANGIA-WAYWQWQTSA-N 312.312 4.672 30 20 DJED CC(C)c1ccc(CCN[C@@H](C)c2ccc(OCC#N)cc2)cc1 776153858 HHQOASLQUMVINQ-KRWDZBQOSA-N 322.452 4.606 30 20 DJED Clc1ccsc1C=NNc1ccc(Br)cc1 782185239 CYHNXUCGOJHRRM-UHFFFAOYSA-N 315.623 4.610 30 20 DJED CC(/C=C/C(=O)c1cnn(C(C)(C)C)c1C)=C\c1ccccc1 787186307 NRVIZCJMBCPIAQ-NOVYJZLUSA-N 308.425 4.789 30 20 DJED CCOCc1cc(/C=C2\C(=O)c3ccccc3[C@@H]2C)ccc1OC 809156307 KRAFSBRTKUNPRD-YQNUULROSA-N 322.404 4.615 30 20 DJED C#CCOCSc1nc(-c2ccccc2)c(-c2ccccc2)o1 814714528 KSAVTIISRNUBQR-UHFFFAOYSA-N 321.401 4.708 30 20 DJED CC(=NNc1cccc(C#N)c1)c1nc(-c2ccccc2)cs1 814786542 MTSJYBSFVHKZFD-UHFFFAOYSA-N 318.405 4.518 30 20 DJED Oc1ccccc1/C=N\[C@@H]1CCSc2ccc(Cl)cc21 839388180 UQAGEIRVMRUONI-FNHQQPGVSA-N 303.814 4.702 30 20 DJED CC[C@@H](N[C@@H]1CCCOc2ccccc21)c1cccc(C#N)c1 902784274 RUPRMMDWUIYJNT-RTBURBONSA-N 306.409 4.513 30 20 DJED Brc1ccc(NN=C/C=C\c2ccccc2)cc1 912821990 AEGCPRQWKTVMQK-WENYHIJHSA-N 301.187 4.560 30 20 DJED C=CCc1ccccc1OC(=O)c1csc(-c2ccccc2)n1 916859560 XUIHMUXBGKOPCH-UHFFFAOYSA-N 321.401 4.758 30 20 DJED CCCCCCCCCNC(=O)c1c(C)nn(C(C)(C)C)c1C 916987353 RZMVSJXKMQOMFP-UHFFFAOYSA-N 321.509 4.735 30 20 DJED COc1c(Cl)cc(Cl)cc1/C=C1\Cc2ccccc2C1=O 921261945 LVHUPHHCDPMKNH-YRNVUSSQSA-N 319.187 4.824 30 20 DJED CC[C@@H](N[C@H](C)CC(C)(C)C#N)c1nc(C(F)(F)F)cs1 925196321 ZKHGHNXSCKRZER-NXEZZACHSA-N 319.396 4.531 30 20 DJED CCc1ccc2occ(C(=O)O[C@H](C)c3cccc(C#N)c3)c2c1 1127091296 IUFVEJQJGZFLRM-CYBMUJFWSA-N 319.360 4.785 30 20 DJED CCCN(CCCc1cccc(C)c1)Cc1ccc(C#N)cc1 1167023282 CGUBHLRIQAACHV-UHFFFAOYSA-N 306.453 4.712 30 20 DJED C[C@H](N[C@H](C)Cc1ccc(F)cc1Cl)c1cccc(C#N)c1 1172860514 FBOSNKFLWPUFJT-OLZOCXBDSA-N 316.807 4.633 30 20 DJED C=C(CNC(=O)Nc1ccc(O[C@H](C)CC)cc1)c1ccccc1 1214889981 KIYLIQLHMCTVMJ-MRXNPFEDSA-N 324.424 4.699 30 20 DJED CCCc1c(N[C@H]2CCC[C@@H](C)C2)cnn1-c1cccc(C#N)c1 1308700045 IVIJBOAFXQWLOD-WBVHZDCISA-N 322.456 4.687 30 20 DJED CC[C@H](C(=O)N(C)c1ccc(C#N)cc1F)C1CCC(C)CC1 1352290534 WDYRKLXEFZVIAW-BCLQGDPASA-N 316.420 4.513 30 20 DJED Cc1cc(C#N)nc(N[C@H](c2ccc(C(C)C)cc2)C(C)C)n1 1458073810 FBVAPXBBKRRQEP-SFHVURJKSA-N 308.429 4.589 30 20 DJED Cc1cccc(CNc2c(C#N)cnc3c(Cl)cccc23)c1 1472651431 PJIQLFBAQPZJFW-UHFFFAOYSA-N 307.784 4.680 30 20 DJED Cc1ccc(C#N)c(Nc2cccc(COc3ccccc3)c2)n1 1472666501 PTRYZDAFZYKXDY-UHFFFAOYSA-N 315.376 4.584 30 20 DJED CCC[C@H]1CCc2ccccc2N1C(=O)c1cccc(C#N)c1C 1518655041 WUZXJQJDPLOREL-SFHVURJKSA-N 318.420 4.628 30 20 DJED CC[C@@H](CC1CCCC1)C(=O)N[C@H](CCC#N)c1ccccc1 1526439478 LZZBYDKBVQOFEC-PKOBYXMFSA-N 312.457 4.754 30 20 DJED Cc1ccc(CNc2c(C#N)cccc2C#N)c(OC(C)(C)C)c1 1639634303 AURYINIKSWNQBX-UHFFFAOYSA-N 319.408 4.528 30 20 DJED COc1ccc(CSc2ccc(Cl)cc2C#N)cc1F 1640957437 UAUBPEBLADNKME-UHFFFAOYSA-N 307.777 4.652 30 20 DJED Cc1nc(NCc2ccc(OC3CCCCC3)cc2)ccc1C#N 1642195387 ALZBNCWUXLXFIY-UHFFFAOYSA-N 321.424 4.585 30 20 DJED CC[C@@H](C)c1ccc([C@H](Nc2ccnc(C#N)n2)C(C)C)cc1 1651323693 JNUDRZTZAOCPGM-AUUYWEPGSA-N 308.429 4.671 30 20 DJED CCCCN(Cc1ccc(F)c(C#N)c1)[C@H](C)c1ccc(C)o1 1657093383 MYGITVBXORUOOC-OAHLLOKOSA-N 314.404 4.962 30 20 DJED COc1cc(C)c(C(=O)/C=C/c2ccc(Cl)cc2)cc1OC 5361659 IWOQAYQIFZMZFK-RMKNXTFCSA-N 316.784 4.562 30 20 DJED C[C@H](C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1 123741153 WBMOWEAEDJPLJF-CABCVRRESA-N 324.449 4.681 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N1CCCCC[C@@H]1c1ccco1 150782965 ZXBSJVDILBHPOX-QGZVFWFLSA-N 323.396 4.609 30 20 DJED CC(C)c1cccc(C(C)C)c1NC(=O)NCCCCC#N 170902832 XMVIMFFKUADYGA-UHFFFAOYSA-N 301.434 4.749 30 20 DJED Cc1cccc(C(=O)/C=C\c2ccc(Br)cc2)c1 225837470 NUEMWYKSHQXLAD-YFHOEESVSA-N 301.183 4.654 30 20 DJED N#CCC[C@@H](N[C@@H]1CCc2c(F)ccc(F)c21)c1ccccc1 271477725 IGULEXKBQDKBKV-QZTJIDSGSA-N 312.363 4.587 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)c1sccc1C 301747435 CSHAVSHDILTESC-UHFFFAOYSA-N 311.859 4.600 30 20 DJED C[C@@H]1C[C@@H](C(O)=Nc2cccc(OC3CCCC3)c2)CCC1=O 328918196 SAXOXRBWKRQWPS-KGLIPLIRSA-N 315.413 4.601 30 20 DJED Cc1cc(C)c(NC(=O)C[C@H](CC#N)c2ccccc2)c(C)c1 354832494 IFJYKLLOWOHZLG-SFHVURJKSA-N 306.409 4.638 30 20 DJED CCCCCCCCCC(=O)N1CCCC[C@@H]1c1noc(C)n1 370963694 WUQYSIUFPWEVTQ-MRXNPFEDSA-N 321.465 4.572 30 20 DJED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 410143382 CKIIQWPPHNALHC-WCFLWFBJSA-N 312.240 4.568 30 20 DJED COc1cc(CNc2cccc(OC3CCCC3)c2)ccc1C#N 440611781 AUMLCLXJIGIFOY-UHFFFAOYSA-N 322.408 4.500 30 20 DJED CC(C)Oc1cccc([C@H](C)NCCCCC(C)(C)C#N)c1 444689106 MFXHPDQODFKECH-INIZCTEOSA-N 302.462 4.844 30 20 DJED CC[C@@H](N[C@H](c1ccc(OC)cc1)C1CC1)c1ccc(C#N)cc1 447539878 HZNDKEWQDAROOZ-RTWAWAEBSA-N 320.436 4.759 30 20 DJED CO[C@@H](CNc1c(Cl)cccc1C#N)c1cccc(Cl)c1 462959942 XKBQHYRYDVDAAJ-HNNXBMFYSA-N 321.207 4.665 30 20 DJED C=CCC[C@@H](CCC)N[C@H](C)c1ccc(Br)cn1 475512295 YKVWWMRPBBEODR-TZMCWYRMSA-N 311.267 4.630 30 20 DJED C=CC[C@@H]1N(C(=O)c2ccc(C(C)(C)C#N)cc2)CCCC1(C)C 477119423 IINVIDXXWQICKJ-SFHVURJKSA-N 324.468 4.695 30 20 DJED C=C(C)[C@H](NC(=O)N1[C@@H](CC)CC[C@H]1C)c1ccc(F)c(F)c1 483317618 YMSMVKWARHZYJI-IFIJOSMWSA-N 322.399 4.555 30 20 DJED C=CCCCCCSCc1csc(-c2ncccn2)n1 485581707 REKXDXPGAPSCAB-UHFFFAOYSA-N 305.472 4.580 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1ccc2c3c(cccc13)CC2 486658910 QFCSMAUJELZXKC-INIZCTEOSA-N 306.409 4.511 30 20 DJED C=CCCC[C@@H](C)NC(=O)c1cc(Cl)c(F)cc1Cl 497934644 BAXUTLWXBNWUEF-SECBINFHSA-N 304.192 4.607 30 20 DJED C[C@@H](SCCOc1cccc(C#N)c1)c1ccc(F)c(F)c1 498129895 VJZNVQRNJMXRCD-GFCCVEGCSA-N 319.376 4.710 30 20 DJED C=CCN(Cc1ccccc1)Cc1coc(-c2ccccc2)n1 508532004 QHBWUHJQIJIWFT-UHFFFAOYSA-N 304.393 4.530 30 20 DJED CC[C@@H](C)CCC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 512097881 GLVSBSVALYOQFT-ZWNOBZJWSA-N 313.228 4.501 30 20 DJED Cc1ccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c(C)c1 521769792 UYMGFLJZIJUMJJ-LJQANCHMSA-N 320.436 4.596 30 20 DJED C[C@@H](NCc1cccc(C#N)c1F)c1cc2ccccc2s1 526944809 CHCGVRPSBQTVBJ-GFCCVEGCSA-N 310.397 4.763 30 20 DJED C=C[C@H](CC(=O)Nc1ccc(CSC)cc1)c1ccccc1 536115361 NFTVVAPLLPAYCY-MRXNPFEDSA-N 311.450 4.848 30 20 DJED Cc1c(Cl)cnc(N[C@H]2CCSc3ccccc32)c1C#N 542279965 DSZBMDJPYRUVLX-AWEZNQCLSA-N 315.829 4.564 30 20 DJED COCCC[C@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 543960970 HXSQZZDCQSWKCZ-DLBZAZTESA-N 322.452 4.691 30 20 DJED C=C(C)COc1cccc(NC(=O)N2CC[C@@H](C(C)(C)C)C2)c1 544254237 OOMFDVKGZHILGQ-OAHLLOKOSA-N 316.445 4.541 30 20 DJED C=CCC[C@H](Nc1cccc2c1OCC[C@@H]2OC)c1ccco1 556877575 HLYIWIXWIMBKFY-RDJZCZTQSA-N 313.397 4.869 30 20 DJED CCc1ccc2occ(C(=O)Nc3ccc(C#N)cc3Cl)c2c1 567272372 JUZZYUGWPWPGAS-UHFFFAOYSA-N 324.767 4.773 30 20 DJED N#CC1(N(C(=O)c2ccc(C3CCCCC3)cc2)C2CC2)CCC1 582971086 TYCNNPYSNCECQQ-UHFFFAOYSA-N 322.452 4.785 30 20 DJED C=CCC[C@@H](Nc1ccc2oc(N(C)C)nc2c1)c1ccco1 584854893 FITNWKSKRCUOSR-CQSZACIVSA-N 311.385 4.606 30 20 DJED Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CCCCCC#N 588656837 VCSDGBQLOLFAJO-AWEZNQCLSA-N 321.490 4.568 30 20 DJED CC[C@@H]1CCCN1C(=O)Nc1cccc(C#Cc2cccs2)c1 590132500 JNXUZBOABZPKNB-QGZVFWFLSA-N 324.449 4.554 30 20 DJED N#Cc1ccc(F)c(CSCc2cc(-c3ccccc3)on2)c1 603442381 FQDLZMYLQZONDE-UHFFFAOYSA-N 324.380 4.786 30 20 DJED O=C1/C(=C\c2nc(-c3ccccc3)cs2)Cc2c(F)cccc21 727975308 RVXKJZALRIHINM-RAXLEYEMSA-N 321.376 4.772 30 20 DJED COc1ccc(CNC(C)(C)c2ccc(C(C)C)cc2)cc1C#N 742370465 VVIWZFTZEFGPFG-UHFFFAOYSA-N 322.452 4.715 30 20 DJED CCCCCCCC(=O)N1CCC(c2ccc(OC)cc2)CC1 744636973 YMQQXNAYFRCZNY-UHFFFAOYSA-N 317.473 4.762 30 20 DJED CCCCCCCC(=O)O[C@H](C)c1nc2ccccc2n1C 746438400 PJQFZVHHHWKDDQ-CQSZACIVSA-N 302.418 4.538 30 20 DJED O=C1/C(=C/c2cnc(-c3ccccc3)s2)Cc2ccc(F)cc21 749000001 CGTCRDNHKHGULV-NTEUORMPSA-N 321.376 4.772 30 20 DJED CCSc1ccccc1OC(=O)c1ccc(Cl)c(C#N)c1 754273824 KVVAPZJGGMDADX-UHFFFAOYSA-N 317.797 4.543 30 20 DJED CCCCC(=NNc1cccnn1)c1ccc(Cl)cc1Cl 754705372 QEIZWWNYRIXOOQ-UHFFFAOYSA-N 323.227 4.790 30 20 DJED O=C(/C=C/c1cc2cc(F)ccc2o1)c1ccc(Cl)nc1 759083642 VFSSUCLITZSIDG-ONEGZZNKSA-N 301.704 4.516 30 20 DJED C#CCCNc1ccccc1Oc1ncc(Cl)cc1Cl 760291229 XIHYVZNSWJXGQG-UHFFFAOYSA-N 307.180 4.616 30 20 DJED O=C(/C=C/c1csc(Cl)c1Cl)c1ccnc(Cl)c1 761480747 SRYYCTYJJKDSHF-OWOJBTEDSA-N 318.612 4.999 30 20 DJED C=CC[C@@H](N[C@@H](C)c1sc(C(C)C)nc1C)c1ccncc1 766021549 UMYBDRJAALWFMQ-XJKSGUPXSA-N 315.486 4.938 30 20 DJED CC[C@H](c1ccccc1)N(CC)Cc1ccc(O[C@@H](C)C#N)cc1 768514909 MFGJVVUFOKTOBG-LAUBAEHRSA-N 322.452 4.951 30 20 DJED C[C@H](Nc1ccccc1O[C@H](C)C#N)c1cc2ccccc2o1 780746397 ZQKYIONLNYMOQZ-KGLIPLIRSA-N 306.365 4.897 30 20 DJED C=CCSc1ccccc1C(=O)Nc1ccc(Cl)nc1C 790251077 HXQPOHHEISWICM-UHFFFAOYSA-N 318.829 4.574 30 20 DJED Fc1ccc(C=NNc2cccc(Cl)n2)c(Cl)c1Cl 793161969 OMPGQPKEIFHHCN-UHFFFAOYSA-N 318.566 4.627 30 20 DJED C=CCC[C@@H](NC[C@@H](O)c1ccc2ccccc2c1)c1ccco1 796761101 MRFAHVNZPBUURP-WOJBJXKFSA-N 321.420 4.763 30 20 DJED Cc1nn(C(C)C)cc1/C=C\C(=O)c1ccc2ccccc2c1 798369603 KOMCCPHYILJNOV-KHPPLWFESA-N 304.393 4.822 30 20 DJED C#CCCCCCC(=O)Nc1ccc2nc(C(F)F)sc2c1 803613327 XBXDJCKBJPMODK-UHFFFAOYSA-N 322.380 4.756 30 20 DJED N#C[C@@H]1CCCC(=NNc2nc(Cl)c(Cl)cc2Cl)C1 814741047 JTJOMCYHDISPLS-SSDOTTSWSA-N 317.607 4.523 30 20 DJED C=CCC(CC=C)C(=O)OCc1cncc(-c2ccsc2)c1 816257347 VRKFCKFWKAQROV-UHFFFAOYSA-N 313.422 4.622 30 20 DJED CCCCCCCCC(=O)N1CC(C)(C)[C@@H]1c1ccncc1 817176797 VDHRNNCHQMGZRJ-SFHVURJKSA-N 302.462 4.742 30 20 DJED C#CC1CCN(C(=O)Nc2c(CCC)cccc2C(C)C)CC1 831716420 XCBDFWPJFRVUGS-UHFFFAOYSA-N 312.457 4.640 30 20 DJED CC(=NNc1nccnc1C1CCC1)c1c(C)oc2ccccc12 834979798 OABXHMOUGFBAAV-UHFFFAOYSA-N 320.396 4.635 30 20 DJED CC(=NNc1nc(-c2ccccc2)cs1)c1cc(C)oc1C 916545518 LOVTTYMUSOKMLK-UHFFFAOYSA-N 311.410 4.856 30 20 DJED Fc1cccc(Cl)c1C=NNc1cccc(Cl)c1F 921137893 SBLANXHMRZHVEX-UHFFFAOYSA-N 301.123 4.718 30 20 DJED CC(C)C[C@H](NC(=O)CC1(C#N)CCCCC1)c1ccccc1 1181365173 AMLFPMDUCNZZGZ-SFHVURJKSA-N 312.457 4.754 30 20 DJED N#Cc1cccnc1NCC1(c2cccc(Cl)c2)CCCC1 1185028916 LVXTWUZMVIWEFK-UHFFFAOYSA-N 311.816 4.531 30 20 DJED Cc1cccc2c1CCCN2Cc1ccccc1C(C)(C)C#N 1190975376 CPMWIJIKIYFSEY-UHFFFAOYSA-N 304.437 4.749 30 20 DJED C=C(Cl)CN1CCSC[C@H]1c1cccc(C(F)(F)F)c1 1193525374 AREQGMONQQORSY-ZDUSSCGKSA-N 321.795 4.548 30 20 DJED CC(C)(C)c1ccc(-c2nnc(-c3cccc(CC#N)c3)o2)cc1 1252844412 KHVAKEMQYWVNLZ-UHFFFAOYSA-N 317.392 4.767 30 20 DJED CCC1(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC1 1272679794 ZQCKAVSTXKBADB-UHFFFAOYSA-N 322.433 4.838 30 20 DJED C[C@@H](Cc1ccc(C(F)(F)F)cc1)Nc1cc(F)cc(C#N)c1 1308903826 ZXWIRKKFJMVDBU-NSHDSACASA-N 322.305 4.759 30 20 DJED CC[C@@H](C#N)[C@H](OC(=O)CCCC(F)(F)F)c1cccs1 1343907130 UYBJIWUADWULFG-GWCFXTLKSA-N 319.348 4.615 30 20 DJED N#CCc1cccc(N[C@H](c2ccc(F)c(Cl)c2)C2CC2)n1 1344123404 HGVCAMNPOPNDQN-KRWDZBQOSA-N 315.779 4.503 30 20 DJED CC(C)(C)c1cccc(C(=O)Nc2ccc(Cl)c(C#N)c2)c1 1349223011 VFYTWMFJOKYNCS-UHFFFAOYSA-N 312.800 4.761 30 20 DJED CCc1ccc2occ(C(=O)Nc3ccc(Cl)c(C#N)c3)c2c1 1354057400 IPYBAZMPIAYPIN-UHFFFAOYSA-N 324.767 4.773 30 20 DJED CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc(F)c1C#N 1474410215 NQWOUZVLRBORCS-UHFFFAOYSA-N 310.416 4.627 30 20 DJED CC[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)C1CCCCC1 1476275341 CZIYMFYIAJXMIM-HNNXBMFYSA-N 319.836 4.692 30 20 DJED Cc1ccc(C(=O)N[C@@H](c2ccccc2)C2CCCC2)cc1C#N 1519633245 SMXWXGIJJIGNLD-FQEVSTJZSA-N 318.420 4.528 30 20 DJED C/C(=C/Cl)CSc1c(Br)cccc1C#N 1642645681 OXNOMMLPKNRSTM-YVMONPNESA-N 302.624 4.555 30 20 DJED CC(C)c1ccc2c(c1)CCCN2Cc1ccc(F)c(C#N)c1 1644822927 IFJJHOPNDKFLTG-UHFFFAOYSA-N 308.400 4.774 30 20 DJED CC(C)C[C@@H]1CCCN(c2c(Br)cccc2C#N)C1 1650863022 UBCZOFCUUKCITA-ZDUSSCGKSA-N 321.262 4.583 30 20 DJED Cc1ccoc1CN(C)Cc1ccc(-c2ccccc2C#N)cc1 1654551111 LXEPANYUPJJENR-UHFFFAOYSA-N 316.404 4.759 30 20 DJED CC(C)CC[C@@H]1CC[C@H](NCc2ccc(C#N)c(Cl)c2)C1 1656146950 ZDIDZRMRCIWAJW-PBHICJAKSA-N 304.865 4.906 30 20 DJED N#Cc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 22394112 ZWILLEYDHCARPM-UHFFFAOYSA-N 322.751 4.724 30 20 DJED C=CCN1C(=O)c2ccccc2N[C@@H]1c1cccc2ccccc12 24034398 NFXITRQWVAZWMZ-FQEVSTJZSA-N 314.388 4.592 30 20 DJED CC(C(=O)Nc1ccccc1S[C@@H](C)CC#N)=C1CCCC1 176630433 PVPCYYJYPJFSFV-ZDUSSCGKSA-N 314.454 4.910 30 20 DJED C[C@H](NCc1ccc(F)cc1C#N)c1ccc(Cl)c(Cl)c1 181531079 MLGQQDOQCSJAET-JTQLQIEISA-N 323.198 4.855 30 20 DJED CCCC[C@@H](CC)CC(=O)Nc1ccccc1O[C@H](C)C#N 182036110 HZAVHGIISMHNTI-HUUCEWRRSA-N 302.418 4.522 30 20 DJED CC[C@H](CC#N)NC(=O)c1ccc(C)cc1Sc1ccccc1 183831188 VCNYKSUGFWVNJK-OAHLLOKOSA-N 324.449 4.568 30 20 DJED Cc1cc(/C=C\C(=O)c2cccc(OC(F)F)c2)cc(C)c1O 211169941 NESQKPOACBHHPH-SREVYHEPSA-N 318.319 4.507 30 20 DJED N=C(O)c1ccc(N=C(O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c(F)c1 329165607 HNTRHOSBNDZLBN-KWCYVHTRSA-N 318.392 4.904 30 20 DJED Cc1oc(-c2ccccc2)c(C(=O)NCC(C)(C)CCC#N)c1C 360410912 MMEMHTSFPMBOMI-UHFFFAOYSA-N 324.424 4.623 30 20 DJED C[C@@H](C(=O)Nc1sc(C(C)(C)C)cc1C#N)c1cccs1 411006919 LBAXHOOKDOAPIB-SNVBAGLBSA-N 318.467 4.721 30 20 DJED Cc1ccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c(C)c1 430628409 ORKYSTNOIKASMW-CQSZACIVSA-N 312.438 4.548 30 20 DJED C=CCC[C@H](NC(=O)C1CCC1)c1ccc(C(F)(F)F)cc1 441590972 OARZYTPYUOKQRT-HNNXBMFYSA-N 311.347 4.629 30 20 DJED C=C(C)CN(CC)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 446862179 PTKIZAZJACRJAC-NSHDSACASA-N 315.244 4.662 30 20 DJED CC[C@@H](Nc1ccc(SC)cc1OC)c1ccc(C#N)cc1 447571187 IURFOINUXJOPRQ-MRXNPFEDSA-N 312.438 4.852 30 20 DJED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1SCCC#N 448936067 CZEVJTVJJLPLQE-CABCVRRESA-N 316.470 4.847 30 20 DJED CC(C)[C@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 463412120 GSYFQXQKOPXJEJ-IBGZPJMESA-N 320.436 4.866 30 20 DJED C=CC[C@@H](CC)NC(=O)N(C)Cc1ccccc1-c1ccccc1 466324007 CPBCMYGNGMKTGG-LJQANCHMSA-N 322.452 4.850 30 20 DJED CCCN(CCCSCC#N)[C@@H](C)c1cc2ccccc2o1 466721305 UFHXSGKCQMMDQW-HNNXBMFYSA-N 316.470 4.853 30 20 DJED CCN(CCC#N)Cc1csc(-c2ccc(C(C)C)cc2)n1 471199859 SPGRXXCHUVBXOA-UHFFFAOYSA-N 313.470 4.669 30 20 DJED C=CCC[C@H](C(=O)Nc1ccc(F)c(OC)c1)c1ccccc1 474279906 YRPYZOUQLMMGDL-INIZCTEOSA-N 313.372 4.523 30 20 DJED C=C(C)CN(C)C(=O)Nc1cccc(OCc2cccc(C)c2)c1 477488273 XJYQXSSDSKTIJB-UHFFFAOYSA-N 324.424 4.614 30 20 DJED C=CCCC(=O)Nc1ccccc1NCCCc1ccccc1 480799177 ZUFBTGABPNXKJX-UHFFFAOYSA-N 308.425 4.636 30 20 DJED C=CC[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 487585501 SRCDFTAKJUMUQT-HNNXBMFYSA-N 315.800 4.647 30 20 DJED N#Cc1ccsc1C(=O)N(c1ccccc1)C1CCCCC1 497992655 CLTBTQWCUCFEAN-UHFFFAOYSA-N 310.422 4.599 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)CC(C)C 506650148 FBKQJBGEQOUIQU-LBPRGKRZSA-N 314.882 4.534 30 20 DJED C=CCC(CC=C)c1nc([C@@H](OC)c2ccccc2Cl)no1 515445710 UNUQZLYHGVGYRZ-HNNXBMFYSA-N 318.804 4.695 30 20 DJED CCN(Cc1ccc(C#N)cc1)Cc1ccc2ccccc2c1 518595919 FTPYQKKSFSGVGR-UHFFFAOYSA-N 300.405 4.734 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccc(C(F)(F)F)cc1Cl 522070130 DVMURASPTRVANP-UHFFFAOYSA-N 320.742 4.789 30 20 DJED N#Cc1c(NC(=O)CCC2CC2)sc2c1-c1ccccc1CC2 522314834 WOCXKBNZNYSHPA-UHFFFAOYSA-N 322.433 4.514 30 20 DJED C=C(C)COc1cccc(NC(=O)N(CC)Cc2ccccc2)c1 524305554 UKEAGRALCUXDIA-UHFFFAOYSA-N 324.424 4.696 30 20 DJED C[C@@H]1C[C@@H]1[C@@H](NCc1ccc(CC#N)cc1)c1ccc(Cl)cc1 543183257 LRLDXWJONRIPRG-UAOJZALGSA-N 324.855 4.893 30 20 DJED CC[C@H](C#N)c1ccc(-c2cccc(COCCOC)c2)cc1 592985887 IGTSCIHCRIQDNK-QGZVFWFLSA-N 309.409 4.534 30 20 DJED C[C@H](NCc1cc(Cl)cc(Cl)c1)c1cccc(C#N)c1 610345107 SAGAQICVYGPSHR-NSHDSACASA-N 305.208 4.716 30 20 DJED CCCCCCCC(=O)N1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C 731889493 DKPMTTDTVWOQAL-MBOZVWFJSA-N 317.473 4.724 30 20 DJED C[C@H](C=NOCc1ccccc1)c1cccc(Br)c1 747630268 RYLLPUBNCFDCEN-CYBMUJFWSA-N 318.214 4.755 30 20 DJED C#CCCCCNC(=O)Nc1ccc(SC(C)(C)C)cc1 758595011 NSZIPPBVKZHUNY-UHFFFAOYSA-N 304.459 4.502 30 20 DJED CCc1oc2ccccc2c1C=NOCc1ccc(Cl)nc1 760432788 KYPNNMAXJDYXEH-UHFFFAOYSA-N 314.772 4.594 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)s1 762444094 XDVLUCDFAFNIHY-DJWKRKHSSA-N 308.189 4.823 30 20 DJED C=CCC[C@H](NC(=S)Nc1ccccc1F)c1ccccc1 771852279 ZFXSKDAWPCNUFB-INIZCTEOSA-N 314.429 4.820 30 20 DJED C#CC[C@H](N[C@H](C)c1ccccc1OC(F)F)c1ccccc1 773105547 HVGVCWGWMKOMSS-PBHICJAKSA-N 315.363 4.703 30 20 DJED CSc1cccc(N[C@@H](C)c2ccc(C#N)c(F)c2)c1C 777301121 GRCGRQFLCVLCQO-LBPRGKRZSA-N 300.402 4.901 30 20 DJED C#CCCCCCC(=O)Nc1cccc(Cl)c1OC(C)C 779952932 ORJOAUGQUSPSIX-UHFFFAOYSA-N 307.821 4.649 30 20 DJED CCCCc1ccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 780156248 BFNMCAYUPDPGTI-HNNXBMFYSA-N 322.408 4.572 30 20 DJED C=CCCCCCCNC(=O)N(C)[C@H](C)c1ccc(OC)cc1 806004359 CWDLFIIEAKZJJH-MRXNPFEDSA-N 318.461 4.534 30 20 DJED Cc1c(C(=O)/C=C\c2cccc(Cl)c2)cnn1-c1ccccc1 818253653 VZBDTJIERKWWPT-KHPPLWFESA-N 322.795 4.730 30 20 DJED CSCc1cnc(/C=C\C(=O)c2cccc(C3CC3)c2)s1 834444905 WNLCPIITTDHNOK-FPLPWBNLSA-N 315.463 4.780 30 20 DJED Oc1nc2ccccc2cc1C=Nc1ccc(Cl)c(Cl)c1 912773367 MSCHXJVOKUSJNI-UHFFFAOYSA-N 317.175 4.998 30 20 DJED Oc1nc2ccccc2cc1C=Nc1cccc(Cl)c1Cl 912773790 YAFLYGLEFMUJCS-UHFFFAOYSA-N 317.175 4.998 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)NCCCCCC 915882255 FXOLHUCZGYHRQT-UHFFFAOYSA-N 314.882 4.679 30 20 DJED COc1ccc(C#N)cc1CN(c1ccccc1F)C1CCCC1 1167798575 NBFZSGRPNKUPNN-UHFFFAOYSA-N 324.399 4.655 30 20 DJED Cc1cc(CNc2ccc(C#N)c(C)n2)ccc1-c1ccccc1 1186212002 MKWFYDDXFYDVDM-UHFFFAOYSA-N 313.404 4.849 30 20 DJED CC(C)COc1ccccc1[C@@H](CC(C)C)NCC1(C#N)CC1 1192617247 RKBHJUHJQVAKNQ-GOSISDBHSA-N 314.473 4.702 30 20 DJED COc1cc(O)ccc1/C=C\C(=O)c1ccc(Cl)c(Cl)c1 1248492483 YKGZPJTZNAWHAQ-DAXSKMNVSA-N 323.175 4.604 30 20 DJED C[C@@H](CCC#N)CNc1cc(F)ccc1NC(=O)OC(C)(C)C 1331075931 ZOHUJZVRKGJDOJ-LBPRGKRZSA-N 321.396 4.524 30 20 DJED C[C@@H]1CC[C@@H](C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 1359977379 MVAIGQSCETUKSZ-GDBMZVCRSA-N 320.392 4.725 30 20 DJED CCc1ccc2occ(C(=O)O[C@H](C)c3ccc(C#N)cc3)c2c1 1457188506 BHXBRVYSZOJOKF-CYBMUJFWSA-N 319.360 4.785 30 20 DJED Cc1ccc([C@@H]2CCC[C@H]2N(C)c2cccc(F)c2C#N)cc1 1458209659 OWWZZTPGJFULBW-QFBILLFUSA-N 308.400 4.778 30 20 DJED Cc1cccc(C2(CNCc3ccc(C#N)c(C)c3)CCCC2)c1 1461129018 PJOWMGDPSTZWMI-UHFFFAOYSA-N 318.464 4.777 30 20 DJED CCCC[C@H](CCC)CNC(=O)c1cccc(SCC#N)c1 1516596914 UFXXWAMYIBJPJH-HNNXBMFYSA-N 318.486 4.639 30 20 DJED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)CCC(C)(C)C)cc1 1542615467 SSCPJHRYNAHKDX-INIZCTEOSA-N 300.446 4.704 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)[C@H](C)CCC(C)(C)C 1543963114 WKOFZKRAHAPOPB-CQSZACIVSA-N 315.461 4.781 30 20 DJED CCc1cccc(C)c1Nc1nnc(S[C@H](C#N)CC)s1 1613410284 RQMYOQBMRDWASQ-LBPRGKRZSA-N 318.471 4.547 30 20 DJED Cc1nc(Nc2cccc(Nc3ccccc3)c2)ccc1C#N 1639239574 SMFZSNQCRLPJAH-UHFFFAOYSA-N 300.365 4.749 30 20 DJED CC(C)Oc1ccccc1COc1ccc(C#N)c(Cl)c1 1641068310 ITFIYURSLBKHIE-UHFFFAOYSA-N 301.773 4.578 30 20 DJED N#Cc1ccc(CN2CCC[C@@H]2CCCc2ccccc2)s1 1644939078 FVJHXGKWFQMUEH-KRWDZBQOSA-N 310.466 4.607 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)CCSC1CCCCC1 1646330068 HMXQSMAYINFXSC-OAHLLOKOSA-N 302.487 4.617 30 20 DJED CCn1c2ccccc2c2cc(Nc3ncccc3C#N)ccc21 1649218368 MBKJEJXVXXOSMC-UHFFFAOYSA-N 312.376 4.825 30 20 DJED N#Cc1cccc(C#N)c1NCC1(Cc2cccc(Cl)c2)CC1 1651133609 PJGXNQOOADBWAZ-UHFFFAOYSA-N 321.811 4.518 30 20 DJED Cc1cc(Oc2ccc(F)cc2)n2c(nc3ccccc32)c1C#N 1651309736 WGAQMWJYEWQVDW-UHFFFAOYSA-N 317.323 4.599 30 20 DJED Cc1cc(CSc2ccccc2C#N)ccc1Br 1652664402 HIAOZOWZAPRRDQ-UHFFFAOYSA-N 318.239 4.922 30 20 DJED Cc1nc(C#N)cc(N[C@@H](C)c2ccc(Cl)c3ccccc23)n1 1655402514 VOBVTFHUEZTFQN-NSHDSACASA-N 322.799 4.636 30 20 DJED C[C@@H](Sc1cccc(C#N)n1)c1cccc(C(F)(F)F)c1 1655708121 LFWVWHCKPNDMDT-SNVBAGLBSA-N 308.328 4.825 30 20 DJED Cc1ccc(CN(CCC#N)CCC(C)C)c(Br)c1 1657466853 PAXOKJHGMCICCQ-UHFFFAOYSA-N 323.278 4.519 30 20 DJED C[C@@H](CCC#N)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 1658198776 PAKPCBJNLPZGAR-LBPRGKRZSA-N 309.240 4.775 30 20 DJED Cc1cc(N[C@@H]2CCC[C@@H](C#N)C2)cc(C)c1Br 1659107138 URPXEQCBECPVEW-CHWSQXEVSA-N 307.235 4.560 30 20 DJED CCCC[C@H](CC)CNC(=O)Nc1ccc(C#N)cc1Cl 1667926489 RPAXBTSYYUNVRP-LBPRGKRZSA-N 307.825 4.550 30 20 DJED Cc1ccsc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 41536117 PWBQDEHGEKWCMV-CYBMUJFWSA-N 324.430 4.670 30 20 DJED C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)c2ccccn2)cc1 152418939 GMAMGVGVUTXFKX-GJZGRUSLSA-N 316.832 4.625 30 20 DJED C[C@H](SCc1ccc(C#N)cc1)c1nc(-c2ccccc2)no1 155175980 PFTNSUVGAKSVLR-ZDUSSCGKSA-N 321.405 4.603 30 20 DJED CC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1F 160737092 ZBRAIPYDMKYOHP-XIKOKIGWSA-N 300.352 4.638 30 20 DJED C[C@H](Nc1ccc2oc(C3CC3)nc2c1)c1cccc(C#N)c1 192984193 JQHJOVSBTMYACJ-LBPRGKRZSA-N 303.365 4.750 30 20 DJED C[C@@H](N[C@@H](CC(F)(F)F)c1ccccc1)c1ccc(C#N)cc1 319655535 FZCZOLJPHCMVSL-DYVFJYSZSA-N 318.342 4.903 30 20 DJED COc1ccc(N=C(O)[C@@H]2CCC[C@H]3CCCC[C@H]32)cc1O 329491190 VINRQBJHLOKLKI-BPLDGKMQSA-N 303.402 4.595 30 20 DJED CCC1CCC(/N=C(/O)C2CCC(/N=C(/O)C3CC3)CC2)CC1 329966182 RRGIYKOOIQTGSF-UHFFFAOYSA-N 320.477 4.837 30 20 DJED CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1S[C@@H](C)CC#N 448942832 KXVPLGBUFBXZCX-ZNMIVQPWSA-N 316.470 4.846 30 20 DJED Cc1ccc(-c2cc(CNc3ccc(Cl)c(C#N)c3)on2)cc1 462218699 OVCMYSZBAJJMPX-UHFFFAOYSA-N 323.783 4.787 30 20 DJED C=CCCN(C)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 466646866 FOUDRQLBQNWPCI-SFHVURJKSA-N 311.450 4.555 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1ccccc1COC(C)(C)CC 467913211 BJOAPOADWBKHME-IBGZPJMESA-N 303.446 4.933 30 20 DJED C[C@H](Nc1ncc(C#N)cc1Cl)c1cc2cccc(F)c2o1 473910406 GEMBYUZXWNUSIA-VIFPVBQESA-N 315.735 4.665 30 20 DJED CC(C)(C)[C@H](NCc1ccc(F)cc1C#N)c1ccc(F)cc1 489659398 ODUAPHMWJPZOKF-GOSISDBHSA-N 314.379 4.713 30 20 DJED COc1cc(C#N)ccc1CN(C)[C@H](C)c1cc2ccccc2o1 501256908 JPPYOONOJKJWRO-CQSZACIVSA-N 320.392 4.506 30 20 DJED C=CCOc1ccc(-c2nnc(SCC3CCCC3)o2)cc1 532271517 GXIWMUVUDOPBDT-UHFFFAOYSA-N 316.426 4.584 30 20 DJED CC[C@@H](SCC1(C#N)CC1)c1ccc(Br)cc1 538415838 LAFIAXCIPLFRFX-CYBMUJFWSA-N 310.260 4.937 30 20 DJED CCCN(CC1(C#N)CC1)[C@H](C)c1ccccc1Br 540512788 NTWSQPOZKSCYTE-CYBMUJFWSA-N 321.262 4.526 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@](C)(CC)CCC 553114963 ZQNDZCUJNNTLNQ-IBGZPJMESA-N 319.493 4.585 30 20 DJED N#Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)cc1F 558740321 YVUWCJHGLNHPHY-ACDBMABISA-N 320.411 4.608 30 20 DJED CC(C)[C@@H](Nc1cc(C#N)ccn1)c1ccc(Cl)cc1F 561267740 KDOPPZXNPHFVJL-MRXNPFEDSA-N 303.768 4.555 30 20 DJED C=CCN(CC1CCCCC1)[C@H](C(=O)O)c1cccc(Cl)c1 570521669 HMXSFSUQEMNECM-KRWDZBQOSA-N 321.848 4.534 30 20 DJED CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCCCCC#N)o1 588628949 ZEISACAQBBXNKD-DOTOQJQBSA-N 316.445 4.616 30 20 DJED CC(C)c1ccsc1C(=O)Nc1cc(C#N)c2ccccc2n1 589043006 CSDSLGCVOLQTCF-UHFFFAOYSA-N 321.405 4.544 30 20 DJED C[C@@H](c1ccccc1Cl)N(Cc1ccc(C#N)cc1)C1CC1 603934192 NWUAGVHCNFHVCR-AWEZNQCLSA-N 310.828 4.937 30 20 DJED C=CC[C@H](C)NC(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1 604900762 GZZMIGSQVZINEV-WDEREUQCSA-N 315.244 4.660 30 20 DJED CCCOc1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)cc1 610830524 YMUANXROHOXTRQ-JKSUJKDBSA-N 308.425 4.759 30 20 DJED CC1(C)C[C@@H](N[C@@H]2CCc3cc(C#N)ccc32)c2ccccc21 618804719 CFABDDFEFXHGPO-WOJBJXKFSA-N 302.421 4.558 30 20 DJED CCOc1cccc(/C=C\C(=O)c2ccc(SC)c(F)c2)c1 741846275 BIAGWIOSFZGATK-CLFYSBASSA-N 316.397 4.842 30 20 DJED O=C(/C=C/c1ccc(-c2ccccc2)o1)c1ccc2c(c1)COC2 742436077 FVQDWUWYESGGTL-CSKARUKUSA-N 316.356 4.873 30 20 DJED O=C1/C(=C/c2ccc(OC(F)F)cc2)Cc2cc(Cl)ccc21 742437042 IJAJJLAGKNCSFV-KPKJPENVSA-N 320.722 4.764 30 20 DJED CCCCCC[C@@H](C)C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 744161027 RMBKYTNEOCLTHM-CABCVRRESA-N 311.429 4.654 30 20 DJED Cc1cc2cc(C=C3C(=O)c4ccccc4C3=O)oc2cc1C 749811810 XSONWNMMYLZPJQ-UHFFFAOYSA-N 302.329 4.512 30 20 DJED C[C@@H](NCc1cc(C#N)ccc1F)c1csc2ccccc12 754731278 LZQBVWLUEWZBHE-GFCCVEGCSA-N 310.397 4.763 30 20 DJED CC(C)(C#N)c1ccccc1COC(=O)c1cc(Cl)cs1 758757134 REIQSTLSBGXWHG-UHFFFAOYSA-N 319.813 4.560 30 20 DJED CCCCCCCCCC(=O)N1CCC[C@@H]1c1cn(C)nc1C 759466512 QQIGCQIKKMHGCG-GOSISDBHSA-N 319.493 4.533 30 20 DJED C=CC[C@@H](N[C@@H]1CCSc2ccc(F)cc21)c1ccncc1 766023668 WNMIRZDIBRJXRY-IAGOWNOFSA-N 314.429 4.665 30 20 DJED C[C@@H](C(=O)OCCCCC(C)(C)C#N)c1cccc(Cl)c1 768727467 FONUVCQGCNPCRE-CYBMUJFWSA-N 307.821 4.707 30 20 DJED Cc1cc([C@H](Nc2snc(Cl)c2C#N)C2CC2)ccc1F 771256919 NBRDAHXJSCFAGY-CYBMUJFWSA-N 321.808 4.679 30 20 DJED CCCCCCC[C@@H](NCc1cc(C)ncn1)c1ccccc1 773108253 UWEHXASUISISAM-HXUWFJFHSA-N 311.473 4.976 30 20 DJED C[C@H](C=NOCCC(F)(F)F)c1cccc(Br)c1 777460683 QOASFPIHDMRKML-SECBINFHSA-N 324.140 4.507 30 20 DJED CC[C@](C)(C#N)C(=O)O[C@H](C)c1ccc(Cl)c(Cl)c1 796889490 KDCFTWGCTZSJGX-YMTOWFKASA-N 300.185 4.537 30 20 DJED C#CCCOc1ccc(CNc2ccccc2NC(C)(C)C)cc1 798500656 VCOGAKALBDRPRD-UHFFFAOYSA-N 322.452 4.911 30 20 DJED C#CC[C@@H](N[C@@H](C)c1cc(Cl)cc(C)c1O)c1ccccc1 808709013 SOXDUZHHKQCGID-KBXCAEBGSA-N 313.828 4.769 30 20 DJED O=C1/C(=C\c2cscc2C(F)(F)F)Cc2ccc(F)cc21 811690610 CRAQXQWVNVEOLB-WTKPLQERSA-N 312.287 4.728 30 20 DJED Brc1ccccc1NN=C/C=C/c1ccccc1 812461511 YDTWANOVIPRKOS-VFXUPEKQSA-N 301.187 4.560 30 20 DJED COCc1ccccc1/C=C(C)/C=C/C(=O)c1ccccc1C#N 814191035 LTIMFPXYYOYKLV-VUWKKMCJSA-N 317.388 4.547 30 20 DJED CCCCCCC[C@H](NCc1cccnc1O)c1ccccc1 858562461 JGCPKRZZFBFQKR-IBGZPJMESA-N 312.457 4.979 30 20 DJED CC(CCc1ccccc1)=NNc1ccc(C(F)(F)F)cn1 915917437 AAPUOEATDJKEDR-UHFFFAOYSA-N 307.319 4.521 30 20 DJED CC(=NNc1cc(C)nc(C)n1)c1ccc(-c2cccs2)cc1 915968039 PAQUHVJRUMFOLN-UHFFFAOYSA-N 322.437 4.658 30 20 DJED CC(C)(C)C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1128919655 HNSNSKLYDWCZNT-UHFFFAOYSA-N 310.422 4.694 30 20 DJED CCCCc1ccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1 1129983835 OFGKHMODEPPTOS-MRXNPFEDSA-N 320.436 4.734 30 20 DJED CCNc1ccc(C#N)cc1NC(=O)CC1CCC(C)(C)CC1 1295030485 UHNMUGJEZGKQOT-UHFFFAOYSA-N 313.445 4.535 30 20 DJED Cc1ccnc(NCCc2ccc(-c3ccccc3)cc2)c1C#N 1306995342 OAIOZWKXDZDPJF-UHFFFAOYSA-N 313.404 4.583 30 20 DJED C[C@H](Nc1nc(Cl)c(C#N)s1)c1ccc2c(c1)CCCC2 1307089587 LWDXNNXVZSRAMN-JTQLQIEISA-N 317.845 4.720 30 20 DJED Cc1ccc(C)c2c1OC/C(=C/c1ccc3ncccc3c1)C2=O 1317970811 DBOYEABLSQMYDT-BOPFTXTBSA-N 315.372 4.510 30 20 DJED CSc1ccccc1C(=O)/C=C\C1=Cc2ccccc2OC1 1321218880 TZZSXHJTBVSJBC-KHPPLWFESA-N 308.402 4.623 30 20 DJED C#CCCCCc1nnc(-c2ccc(OCCC(C)C)cc2)o1 1322193270 OLLOWUAQBPYSOK-UHFFFAOYSA-N 312.413 4.508 30 20 DJED CC1(C)CCCN(C(=O)c2ccc(-c3ccccc3)s2)[C@H]1C#N 1326394463 QFSKHQLBEJYWTB-KRWDZBQOSA-N 324.449 4.569 30 20 DJED C[C@@H]1CCC[C@@H](OCc2cccc(Nc3ccc(C#N)cn3)c2)C1 1472674455 JDGPXZNYROZZFV-DNVCBOLYSA-N 321.424 4.792 30 20 DJED CCC(C#N)(CC)C(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C 1521116836 QGNXCXHBPYBECM-UHFFFAOYSA-N 312.457 4.914 30 20 DJED CC(C)(C)c1csc(NC(=O)C2C(C)(C)C2(C)C)c1C#N 1534605325 GPCUJTYJEYMXRE-UHFFFAOYSA-N 304.459 4.538 30 20 DJED CC(C)(NC(=O)CC1(C#N)CCCCC1)c1ccc(Cl)cc1 1540034967 FZYVNWXVHOCWAP-UHFFFAOYSA-N 318.848 4.555 30 20 DJED CC[C@@H](C)c1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)cc1 1545082005 IPQIRESRVJDSHZ-UZLBHIALSA-N 320.436 4.975 30 20 DJED C[C@@H](Sc1cccnc1C#N)c1ccc(OC(F)(F)F)cc1 1559412599 TXPJMLJTNMSMPE-SNVBAGLBSA-N 324.327 4.705 30 20 DJED Cc1ccc2ncc(CSc3cccc(F)c3C#N)cc2c1 1559418494 FOQHIDFOAFGUOA-UHFFFAOYSA-N 308.381 4.846 30 20 DJED C[C@@H]1CC[C@H](C(=O)Nc2scc(C(C)(C)C)c2C#N)C[C@H]1C 1584034857 ZLVSYEVDTODUPI-UPJWGTAASA-N 318.486 4.928 30 20 DJED CCc1ccccc1CCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 1615608222 ZWENMTWVQPVXNE-FCHUYYIVSA-N 318.464 4.563 30 20 DJED Cc1c(Cl)cnc(N2CCCC[C@@H]2CCC(C)C)c1C#N 1651641903 YAZIWRMHUWPLPH-CQSZACIVSA-N 305.853 4.710 30 20 DJED C[C@H](CN[C@@H]1CCCc2cc(C#N)ccc21)c1cccc(Cl)c1 1652684481 LDADUNLAXLCRPU-JLTOFOAXSA-N 324.855 4.982 30 20 DJED C[C@H]1[C@@H](Cc2ccccc2)CCN1[C@H](C)c1cccc(C#N)c1 1657522895 HBISNKPOROHZIS-LLGFUMIMSA-N 304.437 4.572 30 20 DJED N#Cc1ccc(CN[C@H]2CC[C@H](c3cccc(Cl)c3)C2)cc1 1657550039 PRMYWNPBGVAEJL-HKUYNNGSSA-N 310.828 4.638 30 20 DJED CC[C@@H](CN(CC)Cc1cccc(F)c1C#N)c1ccccc1 1657840557 GIYYHVYHRDBZRU-INIZCTEOSA-N 310.416 4.713 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCC1CCC(C)(C)CC1 1776783299 NSNYGOSWSNEYND-KRWDZBQOSA-N 311.510 4.996 30 20 DJED Cc1ccc([C@H]2CCCN2C(=O)Nc2cc(C#N)ccc2C)cc1 58453029 XRTZBIQBZIRKCA-LJQANCHMSA-N 319.408 4.544 30 20 DJED CCC(CC)CN(CCC#N)Cc1csc(-c2ccoc2)n1 72692659 FAPQEEBVEYSERI-UHFFFAOYSA-N 317.458 4.555 30 20 DJED Cc1ccc(C)c2c(C)c(C(=O)Nc3ccc(F)cc3C#N)oc12 177576547 QLGDELFZFOTBBU-UHFFFAOYSA-N 322.339 4.621 30 20 DJED N#Cc1ccc(SCc2cnoc2C2CC2)cc1C(F)(F)F 272742162 HPQQZBSDHZXYKI-UHFFFAOYSA-N 324.327 4.735 30 20 DJED N#CCc1ccc(C(=O)N(c2ccsc2)C2CCCCC2)cc1 278312685 DGDVPDNJBXLSNW-UHFFFAOYSA-N 324.449 4.794 30 20 DJED Cc1cccnc1[C@H]1CCC[C@H](Nc2ccc(CC#N)cc2)C1 281221198 KLBZCCZFGQTQIN-HKUYNNGSSA-N 305.425 4.594 30 20 DJED Cc1sccc1C(=O)Nc1ccccc1S[C@H](C)CC#N 294547407 IJZIDFUEKJEFJO-LLVKDONJSA-N 316.451 4.703 30 20 DJED CC(C)(C)C[C@H](NCc1cccc(OCC#N)c1)c1ccccc1 324598212 GNMIGOSXZGNINK-FQEVSTJZSA-N 322.452 4.856 30 20 DJED CCO[C@H](C)c1ncc(/C(O)=N/[C@@H]2CCC[C@@H](CC)C2)s1 330915122 JLAAUXSZOXBQMR-JHJVBQTASA-N 310.463 4.514 30 20 DJED Cc1ccc(C)c(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c1 430587864 BCONIESVLUSHBT-CQSZACIVSA-N 312.438 4.548 30 20 DJED N#Cc1ccc(CN[C@@H](c2ccccc2)C2CCC2)c(Cl)c1 439430098 HSPSYINQAWGAMD-IBGZPJMESA-N 310.828 4.843 30 20 DJED COc1cc(CNc2ccc(-c3ccco3)cc2F)ccc1C#N 441352585 LAVHIZILWLBUSY-UHFFFAOYSA-N 322.339 4.578 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(Cl)cc1F 442674315 VZIIURRGLYYAAG-LBPRGKRZSA-N 302.780 4.544 30 20 DJED C=CCCCC[C@@H](C)Nc1cccc(CN(CC)C(C)=O)c1 449045473 GMBJWSFZNMTLBZ-MRXNPFEDSA-N 302.462 4.602 30 20 DJED N#Cc1cnc2ccccc2c1N1CCC[C@H]1c1cccs1 461463668 KYZDQEDRLPCDOQ-INIZCTEOSA-N 305.406 4.509 30 20 DJED C[C@H](CCN[C@@H]1CCC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 463246649 RTZATEXYNKKOLA-CKEIUWERSA-N 324.390 4.871 30 20 DJED C=C(C)[C@@H](N[C@H](C)c1cccc(OC)c1)c1ccc(F)c(F)c1 480683137 QABXJWWMWBMFCY-BFUOFWGJSA-N 317.379 4.941 30 20 DJED C=CC[C@@H](C(=O)Nc1cnc2ccccc2c1)c1ccccc1 487759873 LBAYSIBWSSFTBX-GOSISDBHSA-N 302.377 4.533 30 20 DJED CCN(C(=O)[C@H]1CCC(C)=C(C)C1)[C@H](C)c1ccc(C#N)cc1 521437702 BUHFLNFTFNPPHK-APWZRJJASA-N 310.441 4.604 30 20 DJED C=CCC(CC=C)C(=O)Nc1cc(Cl)cc2cccnc12 531571414 QTJYIYBHQGBBJT-UHFFFAOYSA-N 300.789 4.595 30 20 DJED C=CCCC[C@H](C)NC(=O)Nc1ccccc1C(F)(F)F 537184077 ZDJUHDXYCCEYNT-NSHDSACASA-N 300.324 4.572 30 20 DJED C=CCN(C(=O)c1cc(SC)c(Cl)cc1Cl)C1CC1 539036012 USITZAUFFVAIQT-UHFFFAOYSA-N 316.253 4.506 30 20 DJED CC[C@@H](CC#N)NCc1ccc(-c2cccc(C(F)(F)F)c2)o1 546579203 KFJMILDAHKJVBT-AWEZNQCLSA-N 322.330 4.747 30 20 DJED C=CCn1c(C(C)C)nnc1N1CCC[C@@H]1c1cccc(C)c1C 564376763 ISMNFYFKKSEZBR-GOSISDBHSA-N 324.472 4.546 30 20 DJED CCC1(c2ccc(Cl)cc2)CCN([C@H]2CC[C@@H](C#N)C2)CC1 572009999 QPSWTRXBMJHRGF-QAPCUYQASA-N 316.876 4.776 30 20 DJED C=C(C)COc1cccc(NC(=O)N(C)[C@@H]2CCC[C@@H](C)C2)c1 589741003 PGOGKZMGOLUVNA-NVXWUHKLSA-N 316.445 4.684 30 20 DJED C=CC1CCN(C(=O)c2sccc2-c2ccc(C)cc2)CC1 599687728 RFHOTTGKXFEPFE-UHFFFAOYSA-N 311.450 4.762 30 20 DJED C[C@H](Nc1cc(Cl)ccc1OC(F)F)c1cccc(C#N)c1 600851930 SBWUVHQROJOSRG-JTQLQIEISA-N 322.742 4.986 30 20 DJED N#CCc1cccc(C(=O)N2Cc3ccccc3-c3ccccc32)c1 603817393 KVCYLKRCMWSQPU-UHFFFAOYSA-N 324.383 4.580 30 20 DJED C[C@@H](c1ccccc1Cl)N(C)Cc1cn2ccccc2c1C#N 603856576 GPSALWDVCSCLNV-AWEZNQCLSA-N 323.827 4.657 30 20 DJED CCC(CC)CN(CCC#N)C(=O)C[C@@H](C)c1ccccc1C 609701176 HTQKDZNZJUCCON-QGZVFWFLSA-N 314.473 4.667 30 20 DJED C=CCC[C@H](NC(=O)N1C2CCCC1CCC2)c1ccccc1 676423328 OODSCAXVXBQZCN-ACBHZAAOSA-N 312.457 4.811 30 20 DJED N#CCCCOc1cccc(/C=C2\CCc3sccc3C2=O)c1 726889035 AVEPXMYAEZZJOY-NTCAYCPXSA-N 323.417 4.643 30 20 DJED Cc1nc(-c2ccccc2)sc1C(=O)/C=C\c1ccc(O)cc1 727780603 PVUZCADLVXJKIH-XFXZXTDPSA-N 321.401 4.720 30 20 DJED O=C1/C(=C\c2csc3ccccc23)COc2ccc(F)cc21 731565693 YBBNMKXJQOPNSR-XFFZJAGNSA-N 310.349 4.699 30 20 DJED CC(=NNc1cnnc2ccccc12)C12CC3CC(CC(C3)C1)C2 733749845 BNRLCEAPBRQPOD-UHFFFAOYSA-N 320.440 4.634 30 20 DJED CCCCCCCC(=O)Nc1ccc2cn(C(C)C)nc2c1 740732899 YGDBOKHSLDDLBG-UHFFFAOYSA-N 301.434 4.916 30 20 DJED Cc1cc(C)c(NN=Cc2c(C(C)C)nn(C)c2Cl)c(C)c1 743445475 WFFICCBLEPQCOX-UHFFFAOYSA-N 318.852 4.568 30 20 DJED Cc1ccc(-c2nc(/C=C3\Cc4ccc(F)cc4C3=O)co2)cc1 749894187 PILPQJFBWHEFNO-OQLLNIDSSA-N 319.335 4.612 30 20 DJED C#CC[C@@H](NC(=O)Nc1cc(Cl)ccc1C)c1ccccc1 757759830 GPQXIUHYIFERNJ-MRXNPFEDSA-N 312.800 4.535 30 20 DJED CC(=NNc1ccc(C(F)(F)F)cn1)C1CCC(F)(F)CC1 788698436 FAGRFTKEUHBFLU-UHFFFAOYSA-N 321.293 4.714 30 20 DJED C=CC[C@H](N[C@H](C)CCc1ccc(F)cc1F)c1ccncc1 796770020 BANRZOPRSSWSBN-KUHUBIRLSA-N 316.395 4.588 30 20 DJED C=CCN(Cc1cccs1)Cc1ccc(Cl)nc1Cl 801507884 BDDYHFWVFAASAW-UHFFFAOYSA-N 313.253 4.638 30 20 DJED CC(C)(C)c1ccc2[nH]cc(C=Nn3cnc4ccccc43)c2c1 811636458 HFLLSIGGZLDBCG-UHFFFAOYSA-N 316.408 4.697 30 20 DJED C[C@@H](OC(=O)CCCC#N)c1ccc(SC(F)(F)F)cc1 813084655 UZPRVLYDGBBCFN-SNVBAGLBSA-N 317.332 4.597 30 20 DJED CC(=NNc1cccc(C(F)(F)F)c1)c1ccc(C)nc1C 814689760 FDIURXYGYNKYJH-UHFFFAOYSA-N 307.319 4.553 30 20 DJED CCc1nocc1/C=C/C(=O)c1ccc(SC(C)C)cc1 834424776 BYHOVXCTXZSXMD-JXMROGBWSA-N 301.411 4.634 30 20 DJED Cc1nc([C@@H](C)ON=CC2CC2)oc1-c1ccc(Cl)cc1 853735420 VFDCFEIBGCMICU-LLVKDONJSA-N 304.777 4.777 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] 921261925 LPPZEDMGUPCNMR-QPJJXVBHSA-N 319.719 4.592 30 20 DJED CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC[C@H](C#N)C1 929141459 QBOIOZFCZNCJKY-OAHLLOKOSA-N 313.445 4.701 30 20 DJED Cc1ccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c(Cl)c1Cl 1129724563 IOIQYZAWODYGIC-GHMZBOCLSA-N 312.196 4.541 30 20 DJED CC(C)(C)C[C@H](Nc1ncc(C#N)cc1F)c1ccc(F)cc1 1162176696 IXOKVNVKMRROIX-INIZCTEOSA-N 315.367 4.821 30 20 DJED Cc1cc(CN2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)ccc1C#N 1181185499 RWWJSKCFABSSHI-FGZHOGPDSA-N 314.432 4.687 30 20 DJED N#C[C@H](c1ccccc1)N1CCc2cc(Cl)cc(Cl)c2C1 1191486490 QWHCZRFYYQHFOX-QGZVFWFLSA-N 317.219 4.616 30 20 DJED C=C(CNC(=O)C[C@@H](c1ccccc1)C(C)C)c1ccccc1 1274941736 NJBAPEYBPDVSTF-HXUWFJFHSA-N 307.437 4.646 30 20 DJED N#Cc1cccnc1NCC1(c2ccccc2)CCCCCC1 1306956202 SLJTVEUTNYBCCB-UHFFFAOYSA-N 305.425 4.657 30 20 DJED N#Cc1ccc(CNCC2(c3ccccc3)CCCCC2)c(F)c1 1308195800 YUWTVWAXBURFPR-UHFFFAOYSA-N 322.427 4.689 30 20 DJED Cc1ccc(C=NOCc2cnc(-c3ccccc3)s2)cc1 1319109463 QYYZICLUXWLAKN-UHFFFAOYSA-N 308.406 4.669 30 20 DJED C=CCCC(=O)N[C@H](c1ccc(CC)cc1)c1cccc(F)c1 1338289709 OIIFDRICJKSUTC-HXUWFJFHSA-N 311.400 4.560 30 20 DJED Cc1ccccc1[C@@H](Nc1ncc(Cl)c(C)c1C#N)C1CC1 1458174400 DVLQAGBKERJDLA-KRWDZBQOSA-N 311.816 4.787 30 20 DJED CCC[C@H](CC(C)C)C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 1515788038 VTFDXHDZJAZNKX-VQIMIIECSA-N 314.473 4.930 30 20 DJED CC(C)(C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C1CCCCC1 1529287217 OFTMJQWDWSRXJG-LJQANCHMSA-N 324.468 4.658 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1csc2ccccc12 1559481482 SWALPFMHVXFFBR-CQSZACIVSA-N 306.434 4.966 30 20 DJED CCCC[C@@H](CC)CCCN(C)C(=O)c1cccc(F)c1C#N 1585043185 LBNXLDASFKTGFO-OAHLLOKOSA-N 318.436 4.766 30 20 DJED N#Cc1ccc(CN(C/C=C\c2ccc(Cl)cc2)C2CC2)cc1 1645016243 XGXXAABIJXKLTG-UPHRSURJSA-N 322.839 4.889 30 20 DJED Cc1ccccc1C(C)(C)CNc1ncc(Cl)c(C)c1C#N 1650713501 QVSZHSMLEWGSGC-UHFFFAOYSA-N 313.832 4.613 30 20 DJED C[C@H](NCCc1ccc(C#N)cc1)[C@@H](C)c1ccc(Cl)cc1 1652811649 JFHAFIDKPKUSAI-CABCVRRESA-N 312.844 4.536 30 20 DJED CCCC[C@@H](CC)CN1CCC(Oc2cccc(C#N)c2)CC1 1653339171 KIOMLXIOFULJSM-QGZVFWFLSA-N 314.473 4.618 30 20 DJED Cc1ccnc(N2CCCCC[C@@H]2/C=C/c2ccccc2)c1C#N 1655357024 NGVVRPCMXCXTRE-TZZQJPOUSA-N 317.436 4.724 30 20 DJED CSC1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 1659722897 GFJQRYMBIFQIAG-UHFFFAOYSA-N 322.477 4.553 30 20 DJED Cc1cc(CN[C@@H](C)C2(c3ccccc3)CCCC2)ccc1C#N 1662247041 QLEXHBCECJAOSV-SFHVURJKSA-N 318.464 4.857 30 20 DJED CCC1(CC)CCCN(C(=O)Nc2cc(C#N)ccc2F)CC1 1662504962 JGHFWOJCMGWAEG-UHFFFAOYSA-N 317.408 4.522 30 20 DJED O=C(O)c1ccc(F)c(/C=C/C(=O)c2cccc3ccccc23)c1 1776114632 VEQIJRFFKXSLNY-PKNBQFBNSA-N 320.319 4.573 30 20 DJED C=C(C)CN(CC)C(=O)C1(c2ccc(Cl)cc2)CCCC1 60624864 UCYJEVIFMMIMQK-UHFFFAOYSA-N 305.849 4.576 30 20 DJED C[C@H](Sc1ccc(C#N)cn1)c1ccc(OC(F)(F)F)cc1 63536883 VJJYEIWYLQCUSD-JTQLQIEISA-N 324.327 4.705 30 20 DJED CCCCCCCC(=O)N[C@@H](c1ccccc1)C(F)(F)F 105188326 SQASFWKTAJXBLE-HNNXBMFYSA-N 301.352 4.767 30 20 DJED N#Cc1ccccc1/C=C/C(=O)c1cccc(-c2ccncc2)c1 121260030 WBXMEPKOYSSFEF-CMDGGOBGSA-N 310.356 4.516 30 20 DJED C[C@@H](NCCCC(C)(C)C#N)c1cccc(OC(F)(F)F)c1 181896878 NWGXCARWNGFKFT-GFCCVEGCSA-N 314.351 4.566 30 20 DJED N#CCCCSCc1csc(Cc2ccc(Cl)cc2)n1 190915982 KRUJKNFPMFALSX-UHFFFAOYSA-N 322.886 4.924 30 20 DJED C[C@H](NCc1ccc(OCC#N)cc1)c1cccc2ccccc12 194888637 QXCUQZHHGBTVJK-INIZCTEOSA-N 316.404 4.593 30 20 DJED C[C@@H](c1ccccc1Cl)N(C)Cc1ccc(F)c(C#N)c1 229748876 NZQOYOXLZVWMIU-LBPRGKRZSA-N 302.780 4.544 30 20 DJED CC[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(F)cc1O 286026564 JADBWNNUJISOLC-ROUUACIJSA-N 312.388 4.617 30 20 DJED C[C@H](Nc1ccc(C(F)(F)F)c(C#N)c1)c1ccc(C#N)cc1 301766693 NVVDHGHKUALFSP-NSHDSACASA-N 315.298 4.622 30 20 DJED COc1cc(C)c(C(=O)/C=C/c2ccc(C)c(C)c2)cc1OC 303383256 WNCKMFWVCBMOIT-CMDGGOBGSA-N 310.393 4.525 30 20 DJED CCC(C)(C)OCc1ccccc1N/C(O)=N/[C@@H]1CC[C@@H](C)C1 331290951 KIOLFWMSWWVOLQ-GDBMZVCRSA-N 318.461 4.906 30 20 DJED CC(C)CCN(CCC#N)C(=O)c1ccc(C2=CCCC2)cc1 354815333 DDGZTUVTQUJUSS-UHFFFAOYSA-N 310.441 4.656 30 20 DJED CC(C)COc1ccc([C@@H](C)Nc2ccc(OCC#N)cc2)cc1 391841576 XYYLCFYWDXDHJO-MRXNPFEDSA-N 324.424 4.797 30 20 DJED C=C(C)C(C)(C)C(=O)Nc1ccc2nc(C(F)F)sc2c1 424855858 UDQRCTGWHHNHBP-UHFFFAOYSA-N 310.369 4.775 30 20 DJED C=CCC[C@H](NC(=O)N(CC(C)C)C1CC1)c1ccccc1 435764683 ZSIWKDDEUSZLPL-SFHVURJKSA-N 300.446 4.524 30 20 DJED C=CCCCNC(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 447978678 SMLWMYNHGQAJJM-UHFFFAOYSA-N 313.401 4.553 30 20 DJED C=C[C@@](C)(CC)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 463285942 JOBCKWPDTFWBCK-CJNGLKHVSA-N 309.862 4.595 30 20 DJED CCC1(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCCC1 473761662 NDHKQWSRMJCYEM-UHFFFAOYSA-N 313.445 4.580 30 20 DJED C=C(C)[C@H](NC(=O)c1ccccc1Cl)c1ccc(F)c(F)c1 475657833 AEBWZTYCCFJVRT-INIZCTEOSA-N 321.754 4.665 30 20 DJED C[C@@H](N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cccc(C#N)c1 479535726 ANPSMAJCTFSCAK-OMWUSAIZSA-N 310.828 4.808 30 20 DJED Cc1cc(CN[C@]2(c3ccc(Cl)cc3)C[C@H]2C)ccc1C#N 500431482 XTWOXBJOWLABQT-AUUYWEPGSA-N 310.828 4.545 30 20 DJED C=CCCc1ccccc1NC(=O)N(C)Cc1sccc1C 505062459 RPGZISVGPOHENL-UHFFFAOYSA-N 314.454 4.839 30 20 DJED C=C[C@@H](CC(=O)N(C)[C@@H](C)c1ccc(C)cc1)c1ccccc1 536090598 MJNOCPUEQRLQLZ-ROUUACIJSA-N 307.437 4.874 30 20 DJED O=C(CCCC(F)(F)F)Nc1ccc(F)c(C(F)(F)F)c1 536111012 BPUAMWIKOIPTJC-UHFFFAOYSA-N 317.204 4.516 30 20 DJED C[C@H]1CN(Cc2cccc(OCCCC#N)c2)[C@@H]1c1ccccc1 538724069 PWCYVYPGQSIJHE-UWJYYQICSA-N 320.436 4.562 30 20 DJED C[C@H]1CCCN(C(=O)c2ccc(C#N)c(Cl)c2)c2ccccc21 548616218 AFHSTCCORKEDLV-ZDUSSCGKSA-N 324.811 4.756 30 20 DJED CCc1ccccc1-c1noc(C[C@@H](CC#N)c2ccccc2)n1 579404826 PBBAZILNOZNLKX-QGZVFWFLSA-N 317.392 4.539 30 20 DJED CC[C@@H](N[C@@H](C#N)c1ccccc1)c1ccccc1OC(F)F 595417848 ZCEOMNPWKJCOBL-CVEARBPZSA-N 316.351 4.594 30 20 DJED CC(C)N(C(=O)c1ccc(C(C)(C)C#N)cc1)c1cccc(F)c1 598883737 YOUJJSKQIGSONU-UHFFFAOYSA-N 324.399 4.682 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NC1(c2cccc(Cl)c2)CC1 611474788 YULVAVCZUDAHCU-LJQANCHMSA-N 322.839 4.868 30 20 DJED C[C@@H]1CCCC[C@H]1c1noc(-c2cc3ccccc3n2CC#N)n1 612928333 UJJMBDBMZVNSEA-UKRRQHHQSA-N 320.396 4.509 30 20 DJED N#Cc1ccc(CN[C@H]2CCCCc3ccccc32)cc1Cl 619746943 VOOXPCINYYLXHR-IBGZPJMESA-N 310.828 4.769 30 20 DJED CC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1sc(C)nc1C 726737395 QNHVVVKQRQFCBA-GFCCVEGCSA-N 315.486 4.958 30 20 DJED CCCN1Cc2cccc(N=Cc3cc(Cl)ccc3O)c2C1 727265649 WBFUXVFEDKBDOX-UHFFFAOYSA-N 314.816 4.522 30 20 DJED Cc1ccsc1C(=O)/C=C\c1ccc(OCC(F)F)cc1 741842550 UQWONBUETYYFNM-DAXSKMNVSA-N 308.349 4.597 30 20 DJED CC(=NNc1ccc(C(F)(F)F)cn1)c1coc2ccccc12 747741443 USJSTLDEIIJOBV-UHFFFAOYSA-N 319.286 4.683 30 20 DJED N#Cc1ccc(N[C@@H]2CC3(CCC3)Oc3ccccc32)c(F)c1 757788544 NKJZTXICQLUXGN-QGZVFWFLSA-N 308.356 4.556 30 20 DJED C/C=C(/C=C/C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)CC 765456482 BPDUXQRIOVGLQL-SMNKGLRVSA-N 323.223 4.587 30 20 DJED CCCCCCCCCC(=O)N1CCC2(CCOCC2)CC1 793484509 CZCVFPVTBBYFGF-UHFFFAOYSA-N 309.494 4.546 30 20 DJED O=C(/C=C/c1ccc(C(F)F)cc1)c1ccc(O)c(Cl)c1 794945650 NSXFAFXUMYMAJN-XVNBXDOJSA-N 308.711 4.879 30 20 DJED CC1(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)CCCCCC1 813212357 APIJNHNBRMFXPI-ZDUSSCGKSA-N 324.346 4.637 30 20 DJED CCCCCCCCCC(=O)N1CCC(OC2CCC2)CC1 841446730 IFUPDWNCSJDZKF-UHFFFAOYSA-N 309.494 4.687 30 20 DJED CCC[C@@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915352635 NDBRXBRUJCMNHK-DNVCBOLYSA-N 321.424 4.652 30 20 DJED C=CCN(C(=O)Nc1ccccc1Oc1ccccc1)C(C)C 916707077 GTKWMEZGFUWCJE-UHFFFAOYSA-N 310.397 4.907 30 20 DJED C=CCN(C(=O)N[C@H](c1ccccc1)C1CCCCC1)C(C)C 918074814 DUPBKZJJTACFCZ-LJQANCHMSA-N 314.473 4.914 30 20 DJED CCCCCCCCCN(C)C(=O)NC[C@H]1CC1(Cl)Cl 919653889 BBPXYICLCTXMHQ-CYBMUJFWSA-N 323.308 4.572 30 20 DJED COc1ccc(O)c(/C=N\[C@H](C)c2ccccc2C(F)(F)F)c1 920178829 XLVFAKQXZOHUSG-VARIZKOUSA-N 323.314 4.600 30 20 DJED C[C@H](CNCC(C)(C)CC#N)Cc1ccc(C(C)(C)C)cc1 1178921952 KTLOLEIUSJXCIU-INIZCTEOSA-N 300.490 4.692 30 20 DJED CC[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cccc(C#N)c1 1307498897 FSRFZDWLCZPOTE-SFTDATJTSA-N 304.437 4.716 30 20 DJED C[C@@H]1CCN(CCC(C)(C)C#N)c2cc(Cl)ccc2S1 1307568582 UUWAWVHOMJHRFK-GFCCVEGCSA-N 308.878 4.971 30 20 DJED C[C@H](CC(C)(C)C#N)NCc1ccc(-c2ccco2)cc1F 1308736611 SHYFEIFQGBRXMI-CYBMUJFWSA-N 300.377 4.504 30 20 DJED C=CCCO[C@H](C)c1nnc(-c2cc3c(s2)CCCCC3)o1 1324040775 PZGPADZXYVYZSE-GFCCVEGCSA-N 318.442 4.721 30 20 DJED N#Cc1cc(F)ccc1CN1C[C@H]2CCCC[C@@]21c1ccccc1 1459678373 XYGNSCLGXAIOIK-TZIWHRDSSA-N 320.411 4.599 30 20 DJED C[C@@H](CN1CC=C(c2ccc(C#N)cc2)CC1)C1CCCCC1 1474358703 SZTSLMLKFMWEKL-KRWDZBQOSA-N 308.469 4.864 30 20 DJED N#Cc1cc(N[C@H]2CCC[C@@H]3C[C@H]23)ccc1Oc1ccccc1 1474464731 SNXZNKNHMINPST-CCKFTAQKSA-N 304.393 4.951 30 20 DJED CCc1c(C)sc(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)c1C#N 1520400930 WFGLXMXVFMOXIS-JKSUJKDBSA-N 324.449 4.541 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)C[C@@H]1C[C@@H]1c1ccccc1 1560679286 IQDVVFDBCZUQFQ-FCHUYYIVSA-N 318.464 4.820 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(-c3cccs3)s2)C1 1584702438 BGLSKTZTQVABAU-NEPJUHHUSA-N 317.435 4.716 30 20 DJED CCCc1sc(C(=O)Nc2cc(C#N)ccc2F)cc1CC 1596928683 PPGQDNWIDLUDRT-UHFFFAOYSA-N 316.401 4.526 30 20 DJED CC(C)(C)c1ccc2c(c1)CCN(c1cccc(F)c1C#N)C2 1611903401 VGGYJSHYSCNYQD-UHFFFAOYSA-N 308.400 4.558 30 20 DJED C[C@H](CC(C)(C)C#N)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 1621392162 OODDNHNAHNFRKV-UNEWFSDZSA-N 304.865 4.894 30 20 DJED C[C@@H](CCc1c[nH]c2ccccc12)Nc1cc(F)cc(C#N)c1 1621479776 LQTJSHHYONLUMO-ZDUSSCGKSA-N 307.372 4.612 30 20 DJED CC[C@H](Cc1ccccc1)N(CC)Cc1ccc(CC#N)cc1 1652873510 IYBPYJUHDAGBDV-OAQYLSRUSA-N 306.453 4.596 30 20 DJED N#Cc1ccc(CN(Cc2cccc(Cl)c2F)C2CC2)cc1 1652993903 OWBKCTVLAFAQAK-UHFFFAOYSA-N 314.791 4.515 30 20 DJED CCCC1CCC(N(C)C(=O)Nc2cc(C#N)ccc2F)CC1 1672625093 LWNJHHKBYOIARL-UHFFFAOYSA-N 317.408 4.520 30 20 DJED Cc1nc(S[C@H](C)C#N)c2cc(-c3ccccc3)sc2n1 6114426 AOMJECPYSAGJEN-SNVBAGLBSA-N 311.435 4.671 30 20 DJED N#Cc1ccc(CSCc2nc3ccccc3s2)c(F)c1 11104533 GUKRAKYONSGLEH-UHFFFAOYSA-N 314.410 4.740 30 20 DJED CC[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(OC)cc1 90664901 QRFFMZJBYKCKPU-VQTJNVASSA-N 308.425 4.781 30 20 DJED Cc1cccc([C@H](C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 133417535 QJWAEEGFLWRGOK-HNNXBMFYSA-N 306.409 4.538 30 20 DJED C[C@@H](SCc1ccc(F)cc1C#N)c1ncc(C(C)(C)C)o1 153861730 MBPFAQQRXQKBOH-LLVKDONJSA-N 318.417 4.977 30 20 DJED C[C@H]1CCCN(Cc2ccc(NCC(C)(C)CCC#N)cc2)C1 156099229 WSNZEXRRVMCPLB-KRWDZBQOSA-N 313.489 4.660 30 20 DJED Cc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)o1 171513385 XEOSXTRHUDDKPI-UHFFFAOYSA-N 318.332 4.504 30 20 DJED C[C@@H](NCc1ccc(F)cc1C(F)(F)F)c1ccc(C#N)cc1 173919729 JYRIIZIWBAFKEQ-LLVKDONJSA-N 322.305 4.567 30 20 DJED Cc1oc2ccccc2c1/C=C\C(=O)c1ccc(OCC#N)cc1 255328710 KWDYUDFKWPXQRY-KHPPLWFESA-N 317.344 4.540 30 20 DJED CC/N=C(/O)C1(C/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CCC1 329110417 QKAJYNRYQPDFRQ-HRCADAONSA-N 320.477 4.696 30 20 DJED C[C@@H](CC1CCCC1)/C(O)=N/Cc1nnc(C(C)(C)C)s1 329823790 ZRYCEEBGEJOHKM-NSHDSACASA-N 309.479 4.509 30 20 DJED CC(C)(CC1CCCCCC1)/N=C(/O)[C@@H]1CCc2n[nH]cc2C1 329942019 COOWFORBJWLQFG-OAHLLOKOSA-N 317.477 4.610 30 20 DJED Cc1sccc1C(=O)Nc1scc(C(C)(C)C)c1C#N 410919833 AMFGGMKJEBWYOE-UHFFFAOYSA-N 304.440 4.540 30 20 DJED C=CCN(Cc1cccc(C#N)c1)[C@@H](C)c1ncc(C(C)(C)C)o1 411187419 AVLMQCYDVMVHDM-HNNXBMFYSA-N 323.440 4.593 30 20 DJED C=CCCC[C@H](C)NC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 432369712 WNEXCKVEAMQDRC-WMZOPIPTSA-N 312.457 4.668 30 20 DJED C=CCN(Cc1cccs1)C(=O)[C@@H](CC)c1ccc(F)cc1 448136286 DFUGQUIXSOFRTI-KRWDZBQOSA-N 317.429 4.596 30 20 DJED C=CCN(C(=O)Nc1ccc(-c2ccccc2)c(C)c1)C1CC1 460252345 BKGZHHCTDIPVLQ-UHFFFAOYSA-N 306.409 4.844 30 20 DJED CC(C)Oc1ccccc1CNc1c(Cl)cccc1C#N 462785559 PGCASSDESIBXGZ-UHFFFAOYSA-N 300.789 4.611 30 20 DJED C=CCN(C(=O)CCCc1c[nH]c2ccccc12)c1ccccc1 484265775 RBSLFEPQDPEPNX-UHFFFAOYSA-N 318.420 4.710 30 20 DJED CC(C)(C#N)c1ccccc1CNc1ccc(F)cc1Cl 486431919 KSTXLTLKXNWQGE-UHFFFAOYSA-N 302.780 4.892 30 20 DJED CCS[C@H]1CCCCN(Cc2ccccc2C(C)(C)C#N)C1 487396152 RFRYDYCLOTTZQU-KRWDZBQOSA-N 316.514 4.595 30 20 DJED C=CC[C@H](C(=O)Nc1ccc2scnc2c1)c1ccccc1 488687046 JTLIZRXDIQSIOP-HNNXBMFYSA-N 308.406 4.595 30 20 DJED N#Cc1ccccc1NCc1ccc(-n2cnc3ccccc32)cc1 489307002 WLRCEHHOCUUWNG-UHFFFAOYSA-N 324.387 4.509 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc(COCC)cc1)c1ccccc1 489672172 GTJGOFVLPOIZBY-LJQANCHMSA-N 309.409 4.522 30 20 DJED C=CCN(CCc1ccco1)Cc1cnc(-c2ccccc2)s1 491399615 XMPOFGZPXXLHFN-UHFFFAOYSA-N 324.449 4.634 30 20 DJED CCN(C(=O)C[C@@H]1CCC[C@@H](C)C1)[C@H](C)c1ccc(C#N)cc1 504075464 YTLOHWZMVORTJR-JFIYKMOQSA-N 312.457 4.684 30 20 DJED N#Cc1ccc(N[C@@H](c2ccccc2)[C@H]2CCCO2)cc1Cl 505779913 ZNHVTJAGLKYNJP-MSOLQXFVSA-N 312.800 4.544 30 20 DJED C=CCCOCCCCC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 538263924 KRLNHYDTWMFJJY-HNNXBMFYSA-N 323.864 4.622 30 20 DJED C=CCCOCCCCC(=O)N1c2ccccc2CC[C@H]1CC 538416304 ZQYWIDIHKXRPBX-GOSISDBHSA-N 315.457 4.507 30 20 DJED N#Cc1cnc(NCc2cc(Cl)sc2Cl)c(Cl)c1 540026401 AFQDCQASVPEOPQ-UHFFFAOYSA-N 318.616 4.587 30 20 DJED CCN(C(=O)[C@H](C)CCC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 541603910 FCNYHFZQWAMZRC-CVEARBPZSA-N 314.473 4.930 30 20 DJED N#Cc1ccccc1OC1CCC(NC2CCCCCC2)CC1 554383305 QUCJGLMKWROWLU-UHFFFAOYSA-N 312.457 4.561 30 20 DJED N#Cc1ccc(/C=C/c2cnc(-c3ccc(Cl)cc3)s2)nc1 556280203 LCHLXRISLXDZTB-BQYQJAHWSA-N 323.808 4.901 30 20 DJED Cc1c([C@H](C)N[C@@H]2CCc3ccc(C#N)cc32)oc2ccccc12 573048870 YHCWHDFIXLBNMY-IFXJQAMLSA-N 316.404 4.951 30 20 DJED CC(C)CN(C(=O)CCCCCC#N)c1ccc(Cl)cc1 588946518 NLJWLISVOJFHOI-UHFFFAOYSA-N 306.837 4.803 30 20 DJED CC(C)(C#N)CCCN1CC[C@H]1c1ccc(Br)cc1 595845289 MZGYELKUCGBJBN-HNNXBMFYSA-N 321.262 4.526 30 20 DJED N#CC[C@H]1CCCN(Cc2ccc(-c3ccccc3Cl)o2)C1 597173134 GLWGXAFCURRYHP-CQSZACIVSA-N 314.816 4.726 30 20 DJED C=CC[C@@H](C)NC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 604901064 YRHUJEOWJILBGF-QAPCUYQASA-N 314.473 4.795 30 20 DJED Cc1ccc(CSc2nc(-c3ccccc3)ccc2C#N)nc1 610928436 FCHLOPAMMZHIBF-UHFFFAOYSA-N 317.417 4.616 30 20 DJED C#Cc1cccc(NC(=S)N(CC)c2ccc(Cl)cc2)c1 726485991 WNTDODVSGJWAMI-UHFFFAOYSA-N 314.841 4.545 30 20 DJED FC(F)(F)c1cc(C=NOCc2ccccc2)ccc1Cl 727256019 QRQSXFBJKRILFT-UHFFFAOYSA-N 313.706 4.910 30 20 DJED COc1cc(/C=C\C(=O)c2cc(C)cc(C)c2)cc(Cl)c1O 730437547 RZVUPJOHYIBFOZ-PLNGDYQASA-N 316.784 4.567 30 20 DJED Cc1cc(C=NOCc2ccccc2)ccc1Oc1cccnc1 732712806 PWUVWUJURAOXHV-UHFFFAOYSA-N 318.376 4.733 30 20 DJED COc1cc(C)ccc1C(=O)/C=C/c1cccc(OC(F)F)c1 747064399 VHJAUAQDXSBIDA-VQHVLOKHSA-N 318.319 4.501 30 20 DJED CC(C)=C(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 751352538 XNWRRDZMZNZWQW-LJQANCHMSA-N 304.393 4.637 30 20 DJED CC(C)c1cccc2c1OC/C(=C\c1cccnc1Cl)C2=O 753900108 ITJPVIZBKXDVAJ-UKTHLTGXSA-N 313.784 4.517 30 20 DJED CCc1ccc(NCc2ccc(N(C)CCC#N)cc2)cc1C 769709042 HQQSREFIZXGGQA-UHFFFAOYSA-N 307.441 4.519 30 20 DJED C=CCC[C@H](N[C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccccc1 775414494 MVPSXBXRFPKIBA-MLHJIOFPSA-N 319.539 4.663 30 20 DJED C#CCCCCCC(=O)Nc1cccc(COC(C)(C)C)c1C 779925901 KZWRVEVMPGWSFE-UHFFFAOYSA-N 315.457 4.832 30 20 DJED C#CCCCCCC(=O)Nc1ccccc1S[C@H](C)CC#N 779927926 CAMJVDDYKZHZOB-OAHLLOKOSA-N 314.454 4.603 30 20 DJED C#CCCCCCC(=O)Nc1ccc(F)cc1OC(C)(C)C 780016327 IMLYMIHPQOUCHN-UHFFFAOYSA-N 305.393 4.525 30 20 DJED Clc1ccc(NN=Cc2scnc2C2CC2)cc1Cl 782199256 PHCWBZBOUVZBEC-UHFFFAOYSA-N 312.225 4.773 30 20 DJED COc1cccc(/C=C2/CSc3ccc(Cl)cc3C2=O)c1 797242787 QZOSNUPXGWZBEI-GHXNOFRVSA-N 316.809 4.721 30 20 DJED Clc1cccc(NN=Cc2csc(Br)c2)c1 914554137 CATQOCDZOOZJFK-UHFFFAOYSA-N 315.623 4.610 30 20 DJED O=C(/C=C\c1cccnc1)c1ccc(-c2ccccc2F)s1 914773701 RRSOWMURTNVXBM-FPLPWBNLSA-N 309.365 4.845 30 20 DJED Cc1nnc(SCC2CCC(C(C)(C)C)CC2)c(C#N)c1C 1165497325 PFUUEOCCXVJVAP-UHFFFAOYSA-N 317.502 4.910 30 20 DJED CCC[C@H](Cc1ccccc1)N(CCC)Cc1cccc(C#N)n1 1204776941 SMPBJKKNWKDPQX-OAQYLSRUSA-N 321.468 4.577 30 20 DJED CCC[C@H](C)C(=O)OCc1ccccc1Oc1ccccc1C#N 1272483720 IOUCLZDYBQGZKV-HNNXBMFYSA-N 323.392 4.830 30 20 DJED N#Cc1cccc(N(C(=O)c2ccc(C3CC3)cc2)C2CCC2)c1 1279140626 OWKDOAACSXXTRC-UHFFFAOYSA-N 316.404 4.635 30 20 DJED CC(C)(C)c1ccc2c(c1)CCN2Cc1ccc(F)c(C#N)c1 1307712231 GBTTZESBKZPVCU-UHFFFAOYSA-N 308.400 4.558 30 20 DJED Cc1ccc(CC2CCN(CCCC(C)(C)C#N)CC2)cc1C 1307813877 QYKSOCUVKPOSSM-UHFFFAOYSA-N 312.501 4.888 30 20 DJED CCOCc1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1 1318770989 DHALKPMIPHEIOD-UHFFFAOYSA-N 324.207 4.986 30 20 DJED C[C@H](OC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccc(C#N)cc1 1354919453 QSYBSKPIMYYXAW-KLIQENQMSA-N 311.425 4.769 30 20 DJED COc1ccc(-c2nc(CSc3ccc(C#N)cc3)co2)cc1 1472977418 FGOJAQUOQXNMCW-UHFFFAOYSA-N 322.389 4.514 30 20 DJED CCC[C@@H](CC(C)C)C(=O)N(c1ccccc1C#N)C1CCC1 1528686987 PEFGKHNPNZIJCK-INIZCTEOSA-N 312.457 4.906 30 20 DJED C[C@@H]1CCCC[C@@H]1CC(=O)N(c1cccc(C#N)c1)C1CCC1 1532438183 CDOJZEFOFGOEEO-NVXWUHKLSA-N 310.441 4.660 30 20 DJED CC(C)[C@@H](CC1CCCCC1)C(=O)Nc1ccc(C#N)c(F)c1 1535016546 WSSBHKIEFLOMLF-QGZVFWFLSA-N 316.420 4.878 30 20 DJED N#C[C@H](CCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 1540365139 WDBQFWAQQKKWTG-IBGZPJMESA-N 314.388 4.551 30 20 DJED CC1(C)CC[C@@H](Nc2nc(C#N)c(Cl)s2)c2ccccc21 1559084600 AVGWNJNQPCSUEK-GFCCVEGCSA-N 317.845 4.893 30 20 DJED C[C@H](CCC#N)CNC(C)(C)Cc1ccc(C(F)(F)F)cc1 1560760812 RMBPXDBXSYZTQP-CYBMUJFWSA-N 312.379 4.556 30 20 DJED CCCN(Cc1ccc(C#N)cc1)c1nc2ccccc2s1 1612115188 WOWGNPDMIJBLQY-UHFFFAOYSA-N 307.422 4.585 30 20 DJED CC[C@@H](C)[C@H](C)NCc1cccc(OCc2ccccc2C#N)c1 1620805077 IIBFZJMILWMGSN-SJORKVTESA-N 322.452 4.661 30 20 DJED Cc1cccc(C)c1CN(CC(C)C)c1ccc(C#N)c(C)n1 1642841166 NWONLCJEDZQHJS-UHFFFAOYSA-N 307.441 4.541 30 20 DJED CCN(Cc1ccc(F)c(C#N)c1)c1ccc2ccccc2c1 1653614064 FWWFBEFZJIHRTG-UHFFFAOYSA-N 304.368 4.877 30 20 DJED CC(C)Oc1ccc2ccccc2c1CNC[C@H](C)CCC#N 1664189949 LPTOWRYCAMUFTN-MRXNPFEDSA-N 310.441 4.656 30 20 DJED C[C@H](Nc1snc(Cl)c1C#N)c1ccc(Cl)s1 48558784 NAVNHCVKQCMBQS-YFKPBYRVSA-N 304.227 4.556 30 20 DJED C=CCOc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 55714338 HUZYGYSBURCXHD-UHFFFAOYSA-N 321.298 4.523 30 20 DJED O=C(/C=C/c1csc(-c2ccsc2)n1)c1ccc(F)cc1 63275121 FRZGJQGOOBJGMY-AATRIKPKSA-N 315.394 4.907 30 20 DJED C=CCC[C@H](N[C@H](C)c1nc2ccccc2n1C)c1ccccc1 91400588 QURFPDQXUZGQRI-AEFFLSMTSA-N 319.452 4.931 30 20 DJED C=CCC(CC=C)C(=O)N1CCc2cc(-c3ccccc3)oc2C1 151176968 UGJFIBZWNUPOTC-UHFFFAOYSA-N 321.420 4.600 30 20 DJED CCCCOc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 173934315 BZTWJZWSIHFECB-INIZCTEOSA-N 308.425 4.588 30 20 DJED CC(C)(C#N)c1ccccc1CN[C@@H](c1ccccc1)C1CC1 179691964 BTWFEVSKXAVICK-FQEVSTJZSA-N 304.437 4.729 30 20 DJED CC(C)c1ccc([C@@H](NCc2cc(C#N)n(C)c2)C(C)C)cc1 190697802 FLMBOWQDEBYFMM-FQEVSTJZSA-N 309.457 4.507 30 20 DJED C[C@H](N[C@H](C)c1cccc(OC(F)F)c1)c1cccc(C#N)c1 192975270 LRTJUIXDWAXBMC-QWHCGFSZSA-N 316.351 4.571 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc(OC(C)C)cc2)cc1F 206965652 JXDDRHDLOVXALU-POHAHGRESA-N 314.356 4.518 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)cc1O 211747233 NBDGTEDNWKKVBY-KXFIGUGUSA-N 323.175 4.604 30 20 DJED CC(C)(C)c1cc(C#N)c(NC(=O)c2ccoc2C2CC2)s1 297796545 OHVMURMULXXQKO-UHFFFAOYSA-N 314.410 4.640 30 20 DJED CCOc1ccc(C(=O)/C=C/c2ccc(OC(F)F)cc2)cc1 301578888 FXUVJIBUPGKILJ-LFYBBSHMSA-N 318.319 4.583 30 20 DJED CCc1nc(N[C@H](CCC#N)c2ccccc2)c2ccsc2n1 301820725 BEUBJNOPURRBMJ-OAHLLOKOSA-N 322.437 4.711 30 20 DJED C=CC[C@@H](CC)NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 410123814 QSTHSMZDWJPWGV-IUODEOHRSA-N 313.363 4.670 30 20 DJED N#Cc1cnc2ccccc2c1N1CCC[C@@H]1c1cccs1 461463669 KYZDQEDRLPCDOQ-MRXNPFEDSA-N 305.406 4.509 30 20 DJED N#C[C@@H](NC(=O)c1cccc(C2CCC2)c1)c1ccc(Cl)cc1 462548618 JDONCAMEWYENPW-GOSISDBHSA-N 324.811 4.602 30 20 DJED CCCC[C@@H](CC)C(=O)N(Cc1ccco1)c1ccccc1C#N 463353915 LATOKBPXRPQXFU-MRXNPFEDSA-N 324.424 4.901 30 20 DJED CC(C)[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 483527608 BYXDBNNIGMZRCY-SFHVURJKSA-N 316.807 4.838 30 20 DJED CCC[C@@H](C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1)C(C)C 487954637 VCWKDTVOWKSQFF-CRAIPNDOSA-N 300.446 4.540 30 20 DJED C=C(C)CN(CC)C(=O)CS[C@@H](C)c1cccc(Cl)c1 498116382 YAKWIPKNIJCQNW-ZDUSSCGKSA-N 311.878 4.559 30 20 DJED N#Cc1csc(CN2CCC[C@@H]2c2ccccc2Cl)c1 507174504 RONZUFFJTHQADB-MRXNPFEDSA-N 302.830 4.610 30 20 DJED CC(C)n1c([C@@H]2CCCN2CCC(C)(C)C#N)nc2ccccc21 553708259 WQIYZATWDSTERV-SFHVURJKSA-N 324.472 4.694 30 20 DJED C[C@H]1CCC[C@@H](c2noc([C@@H]3C[C@H]3c3cccc(C#N)c3)n2)C1 568732586 FERRYGHYIKPEBX-NKKGCODLSA-N 307.397 4.506 30 20 DJED Cc1ccc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c(C)c1 577596814 UHXUHRUUNPMUQS-IERDGZPVSA-N 304.437 4.903 30 20 DJED N#CCCCCCC(=O)N1CC[C@@H](C(F)(F)F)c2ccccc21 590478309 LNJFGJQRNIGJPW-CQSZACIVSA-N 324.346 4.543 30 20 DJED CC[C@H](CN[C@H]1CCCc2cc(C#N)ccc21)CC(F)(F)F 591248801 ZOCQKDIRUJIXFP-LRDDRELGSA-N 310.363 4.504 30 20 DJED C=CC[C@H](C)NC(=O)C1(c2cccc(Cl)c2)CCCCC1 604879997 FOUHTQFQDIFKTI-AWEZNQCLSA-N 305.849 4.623 30 20 DJED N#Cc1ccc(CN[C@@H]2CCCCc3ccccc32)cc1Cl 619746944 VOOXPCINYYLXHR-LJQANCHMSA-N 310.828 4.769 30 20 DJED C=CCCC(C)(C)NC(=O)c1cccc(-c2ccccn2)c1C 620857715 GYWOPTYYSSRNEI-UHFFFAOYSA-N 308.425 4.532 30 20 DJED CCc1c(C(C)=NNc2cccc(OC)c2)oc2ccccc12 725855183 NIKLBXYPQPYSKI-UHFFFAOYSA-N 308.381 4.840 30 20 DJED CCCCCCCC(=O)Nc1cccc(SC(=O)N(C)C)c1 729241614 SBQDRGZSNCBDNS-UHFFFAOYSA-N 322.474 4.759 30 20 DJED O=C1/C(=C/c2ccccc2C(F)(F)F)Cc2cc(F)ccc21 734307854 USHVULVPDQIAMZ-KPKJPENVSA-N 306.258 4.667 30 20 DJED CC/C(=C/C(=O)N(CC#N)c1ccccc1)c1cccc(Cl)c1 745980068 VXOYYBOBZOQLKV-PFONDFGASA-N 324.811 4.690 30 20 DJED Cc1ccc(C)c(C(=O)/C=C/C=C/c2ccccc2[N+](=O)[O-])c1 750901316 RIQYCQZVVMBVAR-GZFKCFCKSA-N 307.349 4.664 30 20 DJED Clc1ccc(NN=Cc2csc(Cl)c2Cl)cn1 761809646 JIDGFXDLPQVWRH-UHFFFAOYSA-N 306.605 4.549 30 20 DJED Cc1cncc(C(=O)/C=C/c2ccc(-c3ccccc3F)o2)c1 767368254 VGCRFKCMDGKKMM-SOFGYWHQSA-N 307.324 4.685 30 20 DJED N#CC1(CSCc2cccc(SC(F)(F)F)c2)CC1 781159793 OCYNTSNFEPXKQK-UHFFFAOYSA-N 303.374 4.835 30 20 DJED Clc1cc(Cl)c(NN=C2CC[C@H]2C2CC2)nc1Cl 814740851 ARMCBWBDGDREDR-ZETCQYMHSA-N 304.608 4.630 30 20 DJED CCC(C=Nn1c(S)nnc1-c1ccccc1C)(CC)CC 814750569 RCUIAIGICWKXBO-UHFFFAOYSA-N 316.474 4.593 30 20 DJED C=CCCC[C@@H](C)Nc1ccc([S@](=N)(=O)C(F)(F)F)cc1 882162404 CPIPJIAYJADPOZ-FIKIJFGZSA-N 320.380 4.769 30 20 DJED CC(C)(C)c1ccc(/C=C\C(=O)Nc2sccc2C#N)cc1 887553743 SCFILWVSHFOENH-TWGQIWQCSA-N 310.422 4.569 30 20 DJED COc1cccc2cc(/C=C\C(=O)c3ccc(Cl)cc3)oc12 916135244 NVRDHVIRODOWDC-KTKRTIGZSA-N 312.752 4.991 30 20 DJED Cc1nc(C#N)cc(N[C@H](c2ccc(F)cc2)C2CCCCC2)n1 1163920515 DPKNRZSYBNYAMR-IBGZPJMESA-N 324.403 4.529 30 20 DJED C=C(Cl)CN1Cc2cc(OC)ccc2C[C@H]1C1CCCCC1 1167669429 YPQNNGFKJDFORB-IBGZPJMESA-N 319.876 4.755 30 20 DJED Cc1cc(S[C@H](C)c2nccn2-c2ccccc2)ccc1C#N 1189584870 YGYDRTWUFZVDBF-OAHLLOKOSA-N 319.433 4.906 30 20 DJED CC[C@H](C)CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 1359976770 CUHNVTQNWDKUJN-AWEZNQCLSA-N 308.381 4.725 30 20 DJED CC(C)C[C@@H](C)CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1456947347 NLPUQJMYSUEELZ-LLVKDONJSA-N 312.335 4.588 30 20 DJED COc1cc(C#N)ccc1CN(Cc1ccccc1)CC(C)(C)C 1459467761 MTWDRFGOJNDMLI-UHFFFAOYSA-N 322.452 4.615 30 20 DJED N#CCc1ccc(CN[C@H]2CCCC[C@@H]2Cc2ccccc2)cc1 1459991364 YHYWWXCBFJPJNA-YADHBBJMSA-N 318.464 4.644 30 20 DJED CCCCC1CCC(CNCc2ccc(C#N)cc2F)CC1 1461101878 XYOMDABOYXLFHA-UHFFFAOYSA-N 302.437 4.784 30 20 DJED C[C@H](CCC#N)CN1CCc2cc(-c3cccc(F)c3)ccc21 1462071723 WWWVFICCVAOBBL-OAHLLOKOSA-N 308.400 4.795 30 20 DJED C[C@H](Cc1ccc2c(c1)CCCC2)Nc1cc(F)cc(C#N)c1 1462501069 CAIYLLXWXLASHR-CQSZACIVSA-N 308.400 4.619 30 20 DJED C[C@@H]1CCCC[C@H]1CSc1nc2c(cc1C#N)CCCC2 1472972271 ZLCAXXQCDKZXEM-HIFRSBDPSA-N 300.471 4.750 30 20 DJED CC(C)(CC1CCCCCC1)NCc1ccc(OCC#N)cc1 1473389776 SUGIYTDJLGSOJE-UHFFFAOYSA-N 314.473 4.818 30 20 DJED CC(C)(C)C1CCC(NCc2ccc(C#N)c(Cl)c2)CC1 1474125515 NBXFENPUALCFSK-UHFFFAOYSA-N 304.865 4.906 30 20 DJED CCC[C@H](CC1CCCCC1)C(=O)Nc1cc(C#N)cc(C)n1 1534293929 JKHDXLUPWIGQIB-QGZVFWFLSA-N 313.445 4.587 30 20 DJED CC[C@@H](C#N)N(CC)C(=O)c1sc2cc(C)c(C)cc2c1C 1538757490 ODBIXBWPTZOBLJ-AWEZNQCLSA-N 314.454 4.591 30 20 DJED CC(C)(CNc1c(C#N)nnc2ccccc12)C1CCCCC1 1559143073 IYTVPQYWTYDBLG-UHFFFAOYSA-N 308.429 4.520 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)C3(C)CCCC3)c2C#N)[C@@H](C)C1 1588271638 TTWYCQIJPGOQEN-RYUDHWBXSA-N 316.470 4.824 30 20 DJED CN(C(=O)Nc1sccc1C#N)C1CC(C)(C)CC(C)(C)C1 1626076888 UFPXMTWNKVPTCW-UHFFFAOYSA-N 319.474 4.688 30 20 DJED CCc1nnc(Sc2ccc3c(c2)CCCC3)c(C#N)c1CC 1651158488 PSXYHFPDFHMOGG-UHFFFAOYSA-N 323.465 4.503 30 20 DJED CC[C@H](c1ccccc1)N(Cc1cccc(C#N)n1)CC(C)C 1658568928 KKOGQORCTBYNJI-HXUWFJFHSA-N 307.441 4.563 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1F)[C@H](C)c1ccsc1 1660057692 OFMSQJUAKOBRQS-CYBMUJFWSA-N 302.418 4.730 30 20 DJED C=C(Cl)Cn1c([C@H](C)CC)nnc1N(C)c1cccc(C)c1 1760366382 YOFTXEPLVGUMTP-CYBMUJFWSA-N 318.852 4.620 30 20 DJED C[C@@H]1C/C(=C\c2ccc(/C=C/C(=O)O)cc2)C(=O)c2ccccc21 1776589743 RZTDHRHXQVODGF-UHVWOVHESA-N 318.372 4.558 30 20 DJED CCCCc1ccc(C(=O)/C=C\c2ccc(/C=C/C(=O)O)o2)cc1 1776806043 XXNIOAZOVNOWIS-HEEUSZRZSA-N 324.376 4.616 30 20 DJED COc1cc(C(=O)/C=C/c2ccc(C)cc2)ccc1OC(F)F 57435293 UJJYYENMOFEWBM-VQHVLOKHSA-N 318.319 4.501 30 20 DJED C=CCN(Cc1ncc(C(C)(C)C)o1)Cc1ccc(Cl)s1 58745537 JIAXUFIBWDAFKT-UHFFFAOYSA-N 324.877 4.875 30 20 DJED N#Cc1cnc2ccc(Cl)cc2c1NCc1ccc(F)cc1 64438690 XUPJHUGMOHPXRS-UHFFFAOYSA-N 311.747 4.511 30 20 DJED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1=CCCC1 127046149 CCPBITRNLAAPKV-UHFFFAOYSA-N 318.376 4.708 30 20 DJED Cc1c(Cl)cccc1NCc1ccc(O[C@H](C)C#N)cc1 157736315 CNFYFFSEEKMGBL-GFCCVEGCSA-N 300.789 4.551 30 20 DJED C=CCOc1ccc(C(=O)Nc2c(C)cccc2SC)cc1 184596984 CLOZECDRXPAVLL-UHFFFAOYSA-N 313.422 4.534 30 20 DJED C=CCC[C@@H](C(=O)Nc1cc(C#N)ccc1C)c1ccccc1 187264869 KPFHCKOOUWVTGD-GOSISDBHSA-N 304.393 4.555 30 20 DJED C=CCC[C@@H](C(=O)Nc1ccccc1CCOC)c1ccccc1 188192121 RYGBPNYXNJAFGA-LJQANCHMSA-N 323.436 4.564 30 20 DJED Cc1ccc(/C=C\C(=O)c2cnn(-c3ccc(F)cc3)c2C)cc1 214105745 RDILHAZKJNWGDD-GHXNOFRVSA-N 320.367 4.524 30 20 DJED O=C(/C=C\c1cccnc1)c1ccc(Cl)c(C(F)(F)F)c1 255237810 IMLSGRAPRRBWDH-UTCJRWHESA-N 311.690 4.650 30 20 DJED COc1ccc(C(=O)/C=C\c2scnc2C)c2ccccc12 255524535 VMNODZQKDVWCIP-NTMALXAHSA-N 309.390 4.509 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)/C=C1/CC[C@@H](C)C1 267855271 MKNMYFIHYRBWOH-XADUWPEYSA-N 314.454 4.623 30 20 DJED C[C@@H](Nc1cccc(F)c1C#N)c1ncc(-c2ccccc2)o1 301350236 KCCSJOIMQQRAHO-GFCCVEGCSA-N 307.328 4.525 30 20 DJED N#Cc1ccc(NC(=O)Cc2cccc3ccccc23)c(Cl)c1 323014293 OUXUSIWHPARGKC-UHFFFAOYSA-N 320.779 4.546 30 20 DJED Cc1ccc(Cc2ccccn2)cc1N/C(O)=N/C1CCCCC1 328698416 LTVPCKMOBFKPCU-UHFFFAOYSA-N 323.440 4.639 30 20 DJED OC(=Nc1nc(C2CCC2)cs1)c1coc(C2CCCC2)n1 328750445 RFBNSPZODKXSPA-UHFFFAOYSA-N 317.414 4.693 30 20 DJED C[C@@H](SC/C(O)=N/C1CCCCC1)c1nc2ccccc2o1 329256312 XOGLLPVUZKILNM-GFCCVEGCSA-N 318.442 4.911 30 20 DJED C=C(C)[C@@H](NCc1oc(C(C)C)nc1C)c1ccc(F)c(F)c1 428426969 QFLLYJCSRGHVSU-QGZVFWFLSA-N 320.383 4.792 30 20 DJED C=CC[C@H](C)NC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl 442719806 XCEBFZSSTDDPSF-JTQLQIEISA-N 323.223 4.683 30 20 DJED C[C@@H](c1cc2ccccc2o1)N(C)Cc1ccc(F)c(C#N)c1 468287734 HIKSSEZYKFZKLG-ZDUSSCGKSA-N 308.356 4.637 30 20 DJED CCCCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H](C)CC 475771414 UHYZNWZWMVOCRG-WMZOPIPTSA-N 300.446 4.501 30 20 DJED C[C@H](CC#N)N(C)Cc1ccc(-c2cccc(Cl)c2Cl)o1 513726186 XBSJBNJQBJINRQ-LLVKDONJSA-N 323.223 4.987 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](Cc2ccccc2)C1 522833159 MZABQJNWRDDFNV-XLIONFOSSA-N 304.437 4.574 30 20 DJED Cc1cccc([C@@H](NC(=O)c2ccc(CC#N)cc2)C(C)(C)C)c1 536174401 XRMJADNERYHBII-LJQANCHMSA-N 320.436 4.578 30 20 DJED C=CCC[C@H](N[C@H](C)c1ccc2c(c1)OCO2)c1ccccc1 540151085 NWBOANPGLVZSDR-QAPCUYQASA-N 309.409 4.773 30 20 DJED C[C@@H]1CCCN(C(=O)c2ccc(Cl)c(C#N)c2)c2ccccc21 541658489 BVHRJPBWWCCKTE-CYBMUJFWSA-N 324.811 4.756 30 20 DJED CC[C@H](CC(F)(F)F)Nc1cc(C#N)ccc1C(F)(F)F 542102027 FEBBHVIFIVIBKG-SECBINFHSA-N 310.241 4.720 30 20 DJED CC(=O)c1ccc(C#N)c(NC[C@H]2CCC[C@H](C(F)(F)F)C2)c1 542506718 JWWXMQAAEKSAFR-WFASDCNBSA-N 324.346 4.541 30 20 DJED C[C@H](N[C@@H](C)c1nccc2ccccc12)c1cccc(C#N)c1 589340555 JMYVGMZJHGMLQX-GJZGRUSLSA-N 301.393 4.518 30 20 DJED N#CCCCC(=O)N(c1ccccc1)c1nc2ccccc2s1 589743206 SXKHIBIALMIRHQ-UHFFFAOYSA-N 321.405 4.655 30 20 DJED CSc1ccccc1-c1cccc(C2(C#N)CCOCC2)c1 596646100 RYDRWBYJOCSSCZ-UHFFFAOYSA-N 309.434 4.647 30 20 DJED Cc1ccc(Oc2ccc(NC[C@H](O)CC(C)(C)C#N)cc2)cc1 598726890 XBJNUBCEVGLMJJ-QGZVFWFLSA-N 324.424 4.500 30 20 DJED Cc1c(Cl)cccc1-c1cccc(C2(C#N)CCOCC2)c1 600848796 JRWZPFBNVVCOAR-UHFFFAOYSA-N 311.812 4.887 30 20 DJED O=C(/C=C/c1cccnc1Cl)c1ccc(Cl)cc1Cl 728694795 JOMGANNJNXBROC-ZZXKWVIFSA-N 312.583 4.938 30 20 DJED O=C1/C(=C/c2ccc(O)cc2)Cc2c1ccc(Cl)c2Cl 729150647 LITKCESYDGMCME-JXMROGBWSA-N 305.160 4.521 30 20 DJED COc1cccc(/C=C/C(=O)c2nc(-c3ccccc3)cs2)c1 730085617 RCJUWUPRRTZORE-ZHACJKMWSA-N 321.401 4.715 30 20 DJED Cc1cc(F)ccc1-c1ccc(C=Nn2cnc3ccccc32)o1 734296147 HQUOXCQVBLIKOP-UHFFFAOYSA-N 319.339 4.626 30 20 DJED O=C(/C=C\c1ccc(Cl)s1)c1c(Cl)nc2ccccn12 737446147 OSPBUUUXSQUPGA-XQRVVYSFSA-N 323.204 4.599 30 20 DJED COCc1cccc(/C=C2\C(=O)c3ccsc3S[C@H]2C)c1 742436014 DRHZJFHJCSWWEG-GPILYODUSA-N 316.447 4.655 30 20 DJED CC(=NNc1ccc(OC(F)F)cc1)[C@@H](C)c1ccccc1 746370012 FHWOROXEZQSLPZ-GFCCVEGCSA-N 304.340 4.880 30 20 DJED N#C[C@@H](OC(=O)c1ccc(-c2ccc(Cl)cc2)s1)C1CC1 747785937 KNLGFNCSKHCRNC-CYBMUJFWSA-N 317.797 4.527 30 20 DJED O=C(/C=C\c1nc(Cl)cs1)c1cc(Cl)ccc1Cl 759072896 MASTWCHXLKDMNP-ARJAWSKDSA-N 318.612 4.999 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc(C(F)(F)F)s2)cc1 761473389 DTPVMPZDIHUNHP-VURMDHGXSA-N 312.312 4.672 30 20 DJED C=CCOCCCC(=O)Nc1ccc(-c2ccccc2)c(C)c1 762512858 YVVULRHXRUPYJM-UHFFFAOYSA-N 309.409 4.583 30 20 DJED C=CC[C@H](N[C@@H](C)c1sc(C(C)C)nc1C)c1ccncc1 766021543 UMYBDRJAALWFMQ-BBRMVZONSA-N 315.486 4.938 30 20 DJED Cc1cccc2sc(C(=O)OCC3(C#N)CCC3)c(Cl)c12 768099106 MDBJXCZYNOQLOR-UHFFFAOYSA-N 319.813 4.714 30 20 DJED C[C@H](NCc1ccc(C#N)cc1F)c1csc2ccccc12 772926079 FATRPGQCGFTLGZ-LBPRGKRZSA-N 310.397 4.763 30 20 DJED C#CCCCCC(=O)N(Cc1ccccc1Cl)C1CCCC1 773330634 AGAZNWWMZSFGCH-UHFFFAOYSA-N 317.860 4.805 30 20 DJED C#CCCCCC(=O)N(CC)C(c1ccccc1)c1ccccc1 773429654 NWWNWHDNKHDWFY-UHFFFAOYSA-N 319.448 4.818 30 20 DJED CCCCCCCCCN(C)C(=O)c1nc2cccnc2s1 773577706 ITJXLCLZUDZIKD-UHFFFAOYSA-N 319.474 4.514 30 20 DJED C=C[C@@H](CC(=O)O[C@H](C)c1nc2ccccc2o1)c1ccccc1 781810399 BSOXUBUGIZJOKA-CABCVRRESA-N 321.376 4.792 30 20 DJED C=C[C@@](C)(CC)C(=O)N(CC)Cc1ccc(C(F)(F)F)cc1 785498942 CKZXSULKSGLVRO-INIZCTEOSA-N 313.363 4.656 30 20 DJED O=C(/C=C/C=C/c1ccccc1[N+](=O)[O-])c1csc(Cl)c1 787185705 IXASGQOAAXPEBT-JHMJBTLWSA-N 319.769 4.762 30 20 DJED CC[C@](C)(NC(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1 793461037 WVHHTHAGFJEQNL-RXVVDRJESA-N 320.436 4.516 30 20 DJED CC(=O)Nc1ccc(/C=C2/CC(C)(C)c3ccccc3C2=O)cc1 794970307 XPDSGAUGWXAOQO-VBKFSLOCSA-N 319.404 4.593 30 20 DJED COc1ccc2cc(/C=C/C(=O)c3ccccc3C#N)ccc2c1 799498707 CWNZWQYPZIAAEL-YRNVUSSQSA-N 313.356 4.616 30 20 DJED CC(C)(C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)C1CC1 805859599 SNFJIIUKJIVHJA-LLVKDONJSA-N 318.829 4.562 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2cscc2C(F)(F)F)cc1 811685516 VCVJDVLPNFIWSL-WAYWQWQTSA-N 307.296 4.535 30 20 DJED CC(C)c1ccc([S@@](=O)CCCCC2(C#N)CCC2)cc1 899274989 BDGVXPZVRQSGSN-NRFANRHFSA-N 303.471 4.782 30 20 DJED CC(=NNc1nc2ccccc2s1)c1ccccc1Cl 916246964 ZQZMOVKTRGSMLI-UHFFFAOYSA-N 301.802 4.786 30 20 DJED O=C(O)c1ccc(C=NN(c2ccccc2)c2ccccc2)cc1 916249610 BXMHFIJFRKOYBF-UHFFFAOYSA-N 316.360 4.557 30 20 DJED Cc1cccc(NN=Cc2c(C)nn(-c3ccccc3)c2Cl)c1 916255271 NSZUBCYFWXYBNC-UHFFFAOYSA-N 324.815 4.589 30 20 DJED O=C1/C(=C/c2cn3cc(Cl)ccc3n2)CCCc2ccccc21 920754740 CKUXEPLZXYTOOF-GXDHUFHOSA-N 322.795 4.590 30 20 DJED C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 929552428 MMGKFNOUEFBUAI-DZGCQCFKSA-N 314.454 4.562 30 20 DJED COc1ccc(C(C)=NNc2ccc(C)c(Cl)c2)cc1OC 1115813002 HUHFECONTSCBNM-UHFFFAOYSA-N 318.804 4.502 30 20 DJED CCN(C(=O)CC(C)(C)C1CCCCC1)c1ccc(C#N)cc1 1126353069 NKRQMYVIIBFYTN-UHFFFAOYSA-N 312.457 4.908 30 20 DJED C[C@H]1CSC[C@H]1Nc1ccc(Oc2ccccc2)c(C#N)c1 1181112868 NOGSZBRLRBNFII-SUMWQHHRSA-N 310.422 4.514 30 20 DJED Cc1ccc([C@@H](NCc2cccc(OCC#N)c2)C2CCCC2)o1 1319813563 DNHOIJCOEFLMEU-FQEVSTJZSA-N 324.424 4.512 30 20 DJED C[C@@H](Nc1cccc(CC#N)n1)c1ccc(F)c2ccccc12 1323402325 FLFSLDLDXIXXMF-CYBMUJFWSA-N 305.356 4.613 30 20 DJED CCC[C@H](CC1CCCC1)C(=O)Nc1ccc(C#N)cc1OC 1435815645 WUINOJPAFUUDFL-MRXNPFEDSA-N 314.429 4.502 30 20 DJED CN(c1nc(C(C)(C)C)ccc1C#N)[C@H]1CCC[C@H]1C(C)(C)C 1458446916 RBLDZNGVAYPVNY-CVEARBPZSA-N 313.489 4.902 30 20 DJED CCN(C/C=C\c1cccc(F)c1)[C@H](C)c1ccc(C#N)cc1 1474370680 ZZJMQJATDAEBKY-GMNBZTITSA-N 308.400 4.794 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(C#N)c1 1526210822 IZWUPLBWNXLULX-GDBMZVCRSA-N 318.848 4.546 30 20 DJED CC[C@H]1CN(Cc2cccc(F)c2C#N)CC[C@H]1c1ccccc1 1560646919 LGUIVHCGDLCRQA-QFBILLFUSA-N 322.427 4.713 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)Nc1ccc(OC)c(C#N)c1 1597525680 XVXJTOJBOQKEPH-OAHLLOKOSA-N 314.429 4.502 30 20 DJED N#Cc1nc(N[C@H](c2ccccc2)C2CCC2)sc1Cl 1642232922 VKJLAJPFGSYIRX-CYBMUJFWSA-N 303.818 4.621 30 20 DJED CCC[C@H](Nc1cccc(F)c1C#N)c1ccc(F)cc1F 1642437845 QWCBSDOYYVVQHM-INIZCTEOSA-N 304.315 4.929 30 20 DJED Cc1c(Cl)cnc(N[C@H](C)c2ccccc2Cl)c1C#N 1642658547 CYKNUIPPHYATCT-SNVBAGLBSA-N 306.196 4.742 30 20 DJED Cc1ccc(NC(=O)[C@H](C)Sc2ccc(C#N)c(C)c2)c(C)c1 1644029810 XJWCNYLUAWLFEL-HNNXBMFYSA-N 324.449 4.603 30 20 DJED N#Cc1cc(F)cc(NC2CCC(c3ccc(O)cc3)CC2)c1 1652959644 KFFCQCGYAGNPNC-UHFFFAOYSA-N 310.372 4.541 30 20 DJED COc1cccc(CSCc2ccccc2C(C)(C)C#N)c1 1656240194 NJWWSZCXGMGRAH-UHFFFAOYSA-N 311.450 4.930 30 20 DJED CC(C)Oc1cccc(CNc2cc(Cl)ccc2C#N)c1 40640363 PVSWDGDKRSLDAT-UHFFFAOYSA-N 300.789 4.611 30 20 DJED CC(C)n1cc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cn1 72047926 JIABWTDPEBIENQ-GQCTYLIASA-N 309.196 4.667 30 20 DJED C=CCn1c(S[C@@H](CC)c2ccc(F)cc2)nnc1C1CC1 77907394 RMOBQNBCVMZUPN-HNNXBMFYSA-N 317.433 4.724 30 20 DJED Cc1ccc(NC(=O)c2cccc(SCC#N)c2)c(Cl)c1 79380861 ADRRPRCWTFIHGX-UHFFFAOYSA-N 316.813 4.516 30 20 DJED C[C@H](C#N)Oc1ccc(/C=C2/C(=O)c3ccccc3C2(C)C)cc1 171541289 TZAVYVWAOPKUME-VCRXTVNUSA-N 317.388 4.535 30 20 DJED Cc1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)co1 186638815 CFCJCYGNGKODLQ-UHFFFAOYSA-N 318.332 4.504 30 20 DJED O=C(/C=C\c1ccc(OCC(F)(F)F)cc1)c1ccc(F)cc1 214127267 FBVADZJFWWYBEJ-KMKOMSMNSA-N 324.273 4.663 30 20 DJED N#C[C@@H]1CCC[C@@H](N[C@H](c2ccccc2)c2ccc(F)cc2)C1 248901983 UNZVAPIYLSENRP-CDHQVMDDSA-N 308.400 4.587 30 20 DJED C=C(C)[C@H](CC(=O)Nc1cc(C(F)F)ccc1Cl)OCC 270188835 HCRWJANKKSLSKB-ZDUSSCGKSA-N 317.763 4.587 30 20 DJED N#CC1(CCCS[C@@H]2CCc3ccc(F)cc32)CCOCC1 281840608 LNLIILAWBJETFU-QGZVFWFLSA-N 319.445 4.647 30 20 DJED CC(C)(C#N)CCSCc1ncc(-c2ccccc2F)o1 289347874 GHKBURODUQYPIS-UHFFFAOYSA-N 304.390 4.654 30 20 DJED N#Cc1ccccc1Oc1cnc2cc(Cl)c(Cl)cc2n1 302120243 XSMBBVBRJNNVBX-UHFFFAOYSA-N 316.147 4.601 30 20 DJED Cc1cccc(Sc2cc(Br)c(C#N)cc2F)c1 310663671 XQKZMCVXZMMZHF-UHFFFAOYSA-N 322.202 4.920 30 20 DJED CC[C@H](NCc1cccc(OCCCC#N)c1)c1ccccc1 338953225 JBUAQQCQCLIBGC-FQEVSTJZSA-N 308.425 4.610 30 20 DJED C=C[C@@H](CC(=O)N(C)c1ccc(Cl)cc1F)c1ccccc1 439183293 ZDKLKZUXSQEUPH-ZDUSSCGKSA-N 317.791 4.802 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 468115207 LVVIABOYIHDHPX-IBGZPJMESA-N 310.397 4.723 30 20 DJED N#Cc1ccc(C(F)(F)F)c(N2CCC[C@H]2c2ccsc2)c1 475348606 FCPSTUBTZLWIRN-AWEZNQCLSA-N 322.355 4.980 30 20 DJED C=CCCC1(C(=O)N(C)c2nc3ccc(Cl)cc3s2)CC1 484260988 OLMUKMFMOPVLHK-UHFFFAOYSA-N 320.845 4.659 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1ccc(C)cc1C 484990457 UWYSJAYSTFEXDH-UHFFFAOYSA-N 300.446 4.904 30 20 DJED CCC(CC)CC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 505991942 ONBIFSKEIIRBCZ-CQSZACIVSA-N 313.228 4.501 30 20 DJED C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)c1ccccc1Cl 512176008 ADEQBQSAHCKNCC-CQSZACIVSA-N 319.832 4.565 30 20 DJED CC[C@@H](NCc1oc2ccccc2c1OC)c1ccc(C#N)cc1 515591447 QSJKFFXXHKQJPV-QGZVFWFLSA-N 320.392 4.554 30 20 DJED C=C(C)CCNc1ccc(Cl)cc1NC(=O)c1ccco1 519727724 QKLVDPDWJZLAGA-UHFFFAOYSA-N 304.777 4.563 30 20 DJED N#CCC1CCN(CCCCc2cccc(C(F)(F)F)c2)CC1 525993330 IVLXXKHVDCXQGK-UHFFFAOYSA-N 324.390 4.654 30 20 DJED C[C@H](NCCC(C)(C)C#N)c1ccc(-c2cccc(C#N)c2)cc1 542945685 XRHKUSLUSKMBJK-INIZCTEOSA-N 317.436 4.816 30 20 DJED C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1cc2ccccc2o1 564493988 BXSPKGWRORVCBS-UGSOOPFHSA-N 302.377 4.643 30 20 DJED Cc1ccccc1C1(N[C@@H]2CCCc3cc(C#N)ccc32)CC1 592391900 SURUKPONCGBQLZ-HXUWFJFHSA-N 302.421 4.523 30 20 DJED C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(Cl)s1 619746682 HKAMGZXEWMBZQN-VIFPVBQESA-N 311.237 4.777 30 20 DJED C#Cc1cccc(NC(=S)N(C)c2ccc3ccccc3c2)c1 726440900 FZAVLNNDTYYCEC-UHFFFAOYSA-N 316.429 4.654 30 20 DJED C#Cc1cccc(NC(=S)Nc2ccccc2OCC(C)C)c1 726472874 AXAIRNGKJIZVGE-UHFFFAOYSA-N 324.449 4.512 30 20 DJED O=C(/C=C/c1cccc(OC(F)F)c1)c1ccccc1Cl 747061953 QJDBVLHMJQWWGW-CMDGGOBGSA-N 308.711 4.838 30 20 DJED Cc1cc(F)ccc1/C=C/C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 750899133 FPJXWVRJSZMRMK-QPJJXVBHSA-N 319.719 4.592 30 20 DJED CCOc1cccc2cc(C(=O)/C=C/c3ccccc3C#N)oc12 755587873 RWTOHUZQGDCZBJ-ZHACJKMWSA-N 317.344 4.599 30 20 DJED CC[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)C1CCC(C)CC1 764761164 YHUISDQHEWSMOH-SSHXOBKSSA-N 323.440 4.592 30 20 DJED CC1(C)C(=NNc2ncnc3sccc23)C[C@@H]1c1ccccc1 768481546 AYJORDCMJZXJSJ-CQSZACIVSA-N 322.437 4.673 30 20 DJED Cc1cccc(CC[C@H](C)Nc2ccccc2O[C@H](C)C#N)c1 780742971 DDUMLUSNCXIADQ-DLBZAZTESA-N 308.425 4.719 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1cc(C)cnc1Cl 787443700 BAWVLLXBZNZGGK-UHFFFAOYSA-N 321.852 4.644 30 20 DJED CC(=NNc1c(Cl)cccc1Cl)c1coc(C(C)C)n1 799484103 UFXDCCROTVFYFH-UHFFFAOYSA-N 312.200 4.941 30 20 DJED CC(C)c1nc(C(=O)/C=C/c2ccc3cnccc3c2)cs1 812243273 ICVPCVYJASBCTL-GQCTYLIASA-N 308.406 4.711 30 20 DJED Oc1ccc(C2CCC(=NNc3cc(Cl)ccn3)CC2)cc1 814897916 GPKIHMRXEJKVME-UHFFFAOYSA-N 315.804 4.566 30 20 DJED CC[C@@H](NCc1ccccc1COC(C)C)c1cccc(C#N)c1 902766510 MLROQVOEMGCYHJ-OAQYLSRUSA-N 322.452 4.724 30 20 DJED CC(=NNc1ccc(C)cc1)c1sccc1Br 915049710 ZQDKWWOISROABM-UHFFFAOYSA-N 309.232 4.655 30 20 DJED CCc1cccc2c(/C=C\C(=O)c3cccc([N+](=O)[O-])c3)c[nH]c12 916136362 JZZPWFKIIRKPKF-KTKRTIGZSA-N 320.348 4.535 30 20 DJED COc1c(Cl)cc(Cl)cc1C=NNc1ccc(F)cc1 921251694 STHDTZJRLHZOBD-UHFFFAOYSA-N 313.159 4.587 30 20 DJED C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)c(F)c1 1117671317 FUTABADGFSFMTR-ADLMAVQZSA-N 314.791 4.689 30 20 DJED C[C@H](CC1CCCCC1)C(=O)Nc1cc(C#N)cn1C(C)(C)C 1125263588 OQUWEDHLHGJVBA-CQSZACIVSA-N 315.461 4.660 30 20 DJED CN(Cc1ccccc1-c1ccccc1)c1c(C#N)cccc1C#N 1185157518 GCYLKNWERNXGDT-UHFFFAOYSA-N 323.399 4.733 30 20 DJED CC[C@H]1CCCC[C@H]1N(C)Cc1ccc(C#N)cc1OC(F)F 1193461411 PDMJFNSWYPRUKG-GOEBONIOSA-N 322.399 4.560 30 20 DJED C[C@H]1CC[C@H](c2ccccc2)N(CCc2ccc(C#N)cc2)C1 1194222032 PCGQAYIHCFOBAN-LAUBAEHRSA-N 304.437 4.574 30 20 DJED Cc1cc(N(C)[C@H](C)c2ccc(Cl)cc2Cl)ncc1C#N 1306926615 TXTNMWMZHDWZNM-LLVKDONJSA-N 320.223 4.766 30 20 DJED COC(=O)c1cccc(CSCC2(C)CCCCC2)c1C#N 1307347746 XYNVZLVLFBYIOR-UHFFFAOYSA-N 317.454 4.548 30 20 DJED Cc1cc(C#N)ccc1CN1CCS[C@@H](C)[C@H]1c1ccccc1 1307473689 QRRSOJXPVSZABZ-JXFKEZNVSA-N 322.477 4.545 30 20 DJED C=CCC[C@H](NC1CCC2(CCOCC2)CC1)c1ccco1 1321858808 VPSREIPQAPGLGC-KRWDZBQOSA-N 303.446 4.616 30 20 DJED Cc1nc(CSCc2ccc(C#N)cc2Cl)c(C)s1 1338665859 NTXAJDZSJWSRPJ-UHFFFAOYSA-N 308.859 4.718 30 20 DJED C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@H]3C)c2C#N)C1 1349230679 VJFGDGXTTOVDHZ-JHJVBQTASA-N 316.470 4.509 30 20 DJED CCC1CCC(N(C(=O)CC2(C#N)CCCCC2)C2CC2)CC1 1354825956 NSTAFFFIJMFJQU-UHFFFAOYSA-N 316.489 4.810 30 20 DJED CC(C)[C@]1(C)C[C@H]1C(=O)Nc1sc(-c2ccccc2)cc1C#N 1355048951 IAQWLTLZRIJCDA-KXBFYZLASA-N 324.449 4.907 30 20 DJED Cc1ccc(C#N)cc1C(=O)N[C@@H](CC1CCC1)c1ccccc1 1435726996 WHZZBUUYCHSWME-FQEVSTJZSA-N 318.420 4.528 30 20 DJED CC[C@H](Cc1ccc(C)cc1)N(C)Cc1ccc(C#N)cc1C 1459643355 JMIRSTNQELUPDG-OAQYLSRUSA-N 306.453 4.628 30 20 DJED CCC(CC)[C@@H](NCc1cc(C#N)ccc1OC)c1ccccc1 1459830284 IXCQKQHOVFMWLW-OAQYLSRUSA-N 322.452 4.834 30 20 DJED Cc1csc(NC(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)c1C#N 1466472447 LRRVWBHLENIVQF-UONOGXRCSA-N 319.474 4.655 30 20 DJED Cc1cc(NCC2(c3cccs3)CCCCC2)ncc1C#N 1472704258 WOWCMWWQTRZAAB-UHFFFAOYSA-N 311.454 4.637 30 20 DJED Cc1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)c(F)c1Cl 1516898444 NKAFHYIANYCRBQ-LLVKDONJSA-N 317.747 4.577 30 20 DJED CC(C)Cc1ccc([C@H](C)C(=O)Nc2cc(C#N)ccc2F)cc1 1528047040 CUZNSGMXEHAAFY-AWEZNQCLSA-N 324.399 4.638 30 20 DJED C[C@H](OC(=O)CC(C)(C)c1ccccc1)c1ccc(C#N)cc1 1533619500 PNGCETMQMJVMBH-HNNXBMFYSA-N 307.393 4.530 30 20 DJED N#Cc1cccc(N[C@@H](c2ccccc2)c2ccc(Cl)cc2)n1 1559054475 SQQFVBQQAPGHPS-IBGZPJMESA-N 319.795 4.808 30 20 DJED N#Cc1c(F)cccc1CN1C[C@H]2CCCC[C@@]21c1ccccc1 1621158519 BCFCHVCFCQKSSV-WIYYLYMNSA-N 320.411 4.599 30 20 DJED N#Cc1ccc(F)c(CN[C@H]2CCCC[C@@H]2C2CCCCC2)c1 1621524443 KRKGRKNJMHANPJ-QUCCMNQESA-N 314.448 4.926 30 20 DJED N#Cc1c(F)cccc1NCC1(c2cccc(Cl)c2)CCC1 1640288919 IMAMFVNEVVWVLK-UHFFFAOYSA-N 314.791 4.885 30 20 DJED N#Cc1cccc(CN[C@H](c2ccc(F)cc2)C2CCCCC2)n1 1652963555 SWSRFUKTRVWIQC-FQEVSTJZSA-N 323.415 4.504 30 20 DJED CC(C)(C)[C@@H]1Cc2ccccc2N(Cc2cccc(C#N)c2)C1 1655320249 JCGJHNKWKNXOLT-LJQANCHMSA-N 304.437 4.783 30 20 DJED Cc1cc(CN2CCC[C@]2(C)Cc2cccc(F)c2)ccc1C#N 1660095533 PSZVTSQNMSGCKZ-OAQYLSRUSA-N 322.427 4.603 30 20 DJED CC(C)(CNC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCC1 1665385724 FESQEBVRODGRSE-UHFFFAOYSA-N 319.836 4.550 30 20 DJED CC[C@H](NC(=O)Nc1cc(C)cc(C#N)c1)c1cc(C)ccc1C 1672285370 NPCGWJNXTQIBKT-IBGZPJMESA-N 321.424 4.756 30 20 DJED N#Cc1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1 7265561 MHVRAZODZAESFG-UHFFFAOYSA-N 314.344 4.603 30 20 DJED Cc1cc(C#N)ccc1Oc1ncnc2sc3c(c12)CCCC3 60349594 ZBHHANGOFVQYQQ-UHFFFAOYSA-N 321.405 4.543 30 20 DJED N#Cc1cccc(CNc2cccc(CCC(F)(F)F)c2)c1 151042458 OGRUKYGTGLPLLR-UHFFFAOYSA-N 304.315 4.665 30 20 DJED CC(C)CC(=O)Nc1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1 173871037 RMKJOOMNXPFEET-OAHLLOKOSA-N 321.424 4.716 30 20 DJED C[C@H]1CCCC[C@@H]1CNc1ccc(C#N)c(Br)c1 228183479 GBHCSBBCVSMBEV-WCQYABFASA-N 307.235 4.559 30 20 DJED C=CCOc1ccc(CN[C@@H]2CCCc3occc32)cc1Cl 237825609 HESXMIQDRJHIBW-MRXNPFEDSA-N 317.816 4.665 30 20 DJED Cc1cc(C#N)cc(NCc2ccc(Br)cc2C)c1 308119693 DKCXCKPFBZRMGY-UHFFFAOYSA-N 315.214 4.550 30 20 DJED CC(C)C[C@H](/N=C(/O)C[C@H]1CCCC(O)=N1)c1cccs1 329328674 KOEJIRFZTXYUOB-OLZOCXBDSA-N 308.447 4.691 30 20 DJED Cc1nc(N[C@@H](C)c2ccc(Cl)s2)c(Cl)cc1C#N 388363832 OGNGQFBTSFPXCZ-QMMMGPOBSA-N 312.225 4.803 30 20 DJED N#CCCSCc1coc(-c2ccc(C(F)(F)F)cc2)n1 413013615 OODPZCQYSGHMQR-UHFFFAOYSA-N 312.316 4.507 30 20 DJED Cc1cccc(Cl)c1CSCCCC1(C#N)CCOCC1 419511074 VANBKZRREGRWGV-UHFFFAOYSA-N 323.889 4.982 30 20 DJED CCCc1csc(CN(CC)[C@@H](C)c2ccc(C#N)cc2)n1 426030521 UMBWVLBSXBNQLN-AWEZNQCLSA-N 313.470 4.550 30 20 DJED N#C[C@@H]1CC[C@H](Nc2cccc(OCc3ccc(F)cc3)c2)C1 442863343 CKTFEIWGTCWVJW-QAPCUYQASA-N 310.372 4.509 30 20 DJED COc1cccc([C@H]2C[C@@H](C)CN2CCCCC(C)(C)C#N)c1 444689151 MKDSGPCJLILGKE-VQIMIIECSA-N 314.473 4.798 30 20 DJED Cc1ccc([C@H](NCc2cccc(C#N)c2)C2CCCC2)cc1 446742764 CDOBEOBKLJKJOL-OAQYLSRUSA-N 304.437 4.888 30 20 DJED C=CCCC1(C(=O)NCC(c2ccccc2)c2ccccc2)CC1 474202324 AAXVPVQVXLWLPC-UHFFFAOYSA-N 319.448 4.681 30 20 DJED CCc1c(N[C@H](C)c2ccc(C#N)cc2)cnn1C(CC)CC 477925041 HKQJXLAHTMVEKZ-CQSZACIVSA-N 310.445 4.851 30 20 DJED C[C@@H]1CC(C)(C)N(C(=O)c2cccc(CC#N)c2)c2ccccc21 479303500 BEONFFRCAHDUFD-OAHLLOKOSA-N 318.420 4.685 30 20 DJED CC[C@H](CN(CC)C(=O)Nc1cccc(C#N)c1)c1ccccc1 479816960 JDQPFGRDFRUSHN-QGZVFWFLSA-N 321.424 4.606 30 20 DJED COc1ccc(Cl)c(NCc2ccccc2C(C)(C)C#N)c1 486436797 UNRQEMCDRUZTMP-UHFFFAOYSA-N 314.816 4.762 30 20 DJED C=CCCCCNC(=O)Nc1cnn(CCC(C)C)c1C(C)C 487653792 LQEWCGBUCWZRMY-UHFFFAOYSA-N 320.481 4.530 30 20 DJED Cc1nc(N[C@H](c2ccccc2)c2cccc(F)c2)ccc1C#N 488126611 NDSGLPYDKMTTOO-HXUWFJFHSA-N 317.367 4.602 30 20 DJED C=C(C)CCc1noc(CCSc2ccccc2Cl)n1 508602861 GQVSIMLSEOCNHB-UHFFFAOYSA-N 308.834 4.567 30 20 DJED CC(C)[C@@H](CNCC(C)(C)CCC#N)c1ccc(Cl)cc1 513018271 XUVXMNVOVSBEPL-QGZVFWFLSA-N 306.881 4.999 30 20 DJED C[C@H](N[C@H]1CCc2cc(F)c(Cl)cc21)c1ccc(C#N)cc1 527850737 KLRNHWXQSDVMPG-VOJFVSQTSA-N 314.791 4.689 30 20 DJED C[C@@H](c1ccccc1)[C@@H](C)Nc1cccc(OCCCC#N)c1 539627634 BRLXNWXUDLAJDB-IAGOWNOFSA-N 308.425 4.973 30 20 DJED C[C@@H](NCc1ccc(C#N)s1)c1cc2cc(Cl)ccc2o1 553813461 FSPXEJYUOBKOSX-SNVBAGLBSA-N 316.813 4.870 30 20 DJED N#CCCC1CCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1 573686964 ZCRHKCHVFMIZRZ-UHFFFAOYSA-N 324.468 4.890 30 20 DJED CC(C)(C)OCCCSc1ccc(C#N)c(C(F)(F)F)c1 611728427 MUGTYVLUVDEPFK-UHFFFAOYSA-N 317.376 4.874 30 20 DJED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1ccc2ccccc2c1 664717670 RIRGZLNIKJKDPP-OAHLLOKOSA-N 313.466 4.745 30 20 DJED CCSc1ccc(C(=O)/C=C/c2csc([N+](=O)[O-])c2)cc1 755604956 TYKSZTYSQNKXOK-FPYGCLRLSA-N 319.407 4.664 30 20 DJED O=C1/C(=C/c2coc(-c3ccccc3)n2)Cc2ccc(Cl)cc21 762445976 CDTRFLQDZRINDF-NTEUORMPSA-N 321.763 4.817 30 20 DJED C[C@@H](C=NNc1ncnc2sccc12)c1cccc(Cl)c1 763359117 JLFQQWDTSIROJF-JTQLQIEISA-N 316.817 4.546 30 20 DJED N#C[C@H]1CCC[C@@H](Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 765942056 UTTJGFVXPPHNKJ-LSDHHAIUSA-N 312.413 4.612 30 20 DJED C#CCCCCCC(=O)Nc1cc(-c2ccccc2)cnc1C 779945670 GKSDLAKQUCCGMP-UHFFFAOYSA-N 306.409 4.579 30 20 DJED O=C1/C(=C\c2ccc3ncccc3c2)COc2ccc(Cl)cc21 783714328 HIDMQYBAVUEHDR-ZROIWOOFSA-N 321.763 4.547 30 20 DJED CCCn1c(-c2ccc(O[C@@H](C)C#N)cc2)nc2ccc(F)cc21 788694252 ZBNHHHDKCKOUNX-ZDUSSCGKSA-N 323.371 4.543 30 20 DJED C[C@@H](OC(=O)c1ccc(C#N)o1)c1ccccc1-c1ccccc1 796803442 LFIOKDPXIRBVME-CQSZACIVSA-N 317.344 4.736 30 20 DJED CC(=NNc1nc2ccccc2s1)c1nccc2ccccc12 811628989 QBKKUVOASNLFFC-UHFFFAOYSA-N 318.405 4.681 30 20 DJED COCc1ccccc1/C=C(\C)C=NOCc1ccc(F)cc1 814226613 GBOHXFZEKIANKM-XZWCQQSGSA-N 313.372 4.578 30 20 DJED CSCc1cnc(/C=C2\C[C@H](C)c3ccccc3C2=O)s1 834430756 XNHZBYKHHPWBIM-SERMCNLOSA-N 315.463 4.780 30 20 DJED C=CCC1(CN[C@H]2CCC[C@@H](CCCC(=O)O)C2)CCCC1 902268668 MDIOYBDHYHZAGR-IRXDYDNUSA-N 307.478 4.526 30 20 DJED O=C(/C=C\c1ccc(N2CCCCC2)cc1)c1cccc(F)c1 916134316 KBHZAAUNVCWVTM-XFXZXTDPSA-N 309.384 4.712 30 20 DJED CC(=NNc1cc(C)c2ccc(C)c(C)c2n1)c1ccc(O)cc1 916542831 ANMOFAXKAQVTIG-UHFFFAOYSA-N 319.408 4.702 30 20 DJED C/C(=C/Cl)CSc1ccc(C#N)c(Br)c1 1163191125 IGXLZRLRJQPPOR-YVMONPNESA-N 302.624 4.555 30 20 DJED CC(C)(C)CN(CCC#N)CCc1cccc(Cl)c1Cl 1167457894 MUCXLJIDQIFBLM-UHFFFAOYSA-N 313.272 4.798 30 20 DJED CCc1ccc([C@H]2CCCN(Cc3ccc(C#N)s3)C2)cc1 1170038455 FGSDOLUBQCZRGJ-KRWDZBQOSA-N 310.466 4.562 30 20 DJED CC[C@@H](C)CCNc1cc(C)c(C#N)c2nc3ccccc3n12 1186973440 IFTRIICSUYUCJU-CYBMUJFWSA-N 306.413 4.516 30 20 DJED CCCCCCOc1ccc(-c2nnc(CCCC#N)o2)cc1 1261572712 WTIRSBRYKZMOQL-UHFFFAOYSA-N 313.401 4.542 30 20 DJED N#Cc1ccc(Cl)cc1OCC1CCC(C(F)(F)F)CC1 1307319860 PADQBXPSQJNEIO-UHFFFAOYSA-N 317.738 4.959 30 20 DJED COC[C@H](S[C@H](C#N)CCc1ccccc1)c1ccccc1 1307405092 LBYZGABNIRRKAT-OALUTQOASA-N 311.450 4.632 30 20 DJED CC(C)[C@H](Cc1ccccc1)c1nnc(-c2ccc(C#N)cc2)o1 1322325741 QGTGXEFTXPDBJP-SFHVURJKSA-N 317.392 4.591 30 20 DJED CC[C@H](Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(C)cc1 1322502180 HRXOKVWRLJEDIG-MRXNPFEDSA-N 317.392 4.653 30 20 DJED C/C(=C\C(=O)[C@H](C#N)c1nc(C(C)C)cs1)c1cccs1 1342713670 AFJIBNUMGGUFAY-VNKGSWCUSA-N 316.451 4.608 30 20 DJED C[C@H]1CC[C@H](C(=O)N(Cc2ccco2)c2ccccc2C#N)CC1 1353189133 NEFNINSGZWBYRG-WKILWMFISA-N 322.408 4.511 30 20 DJED Cc1ccc([C@@H]2C[C@@H](C)N([C@@H](C)c3ccc(C#N)cc3)C2)cc1 1473431819 HJSKSSJAFRWMNT-LLGFUMIMSA-N 304.437 4.806 30 20 DJED CCOc1ccc(C#N)cc1NC(=O)C[C@H]1CCCCC1(C)C 1526633233 ZFQXHEMQGSSLQN-OAHLLOKOSA-N 314.429 4.502 30 20 DJED C[C@H]1CCCC[C@H]1C(=O)Nc1cc(C(C)(C)C)sc1C#N 1535489347 XZDCRYMIIIKEHM-NWDGAFQWSA-N 304.459 4.682 30 20 DJED CC[C@@H]1CCC[C@H]1C(=O)Nc1scc(C(C)(C)C)c1C#N 1544839988 NXMHOGRMJZNDPJ-VXGBXAGGSA-N 304.459 4.682 30 20 DJED CC1(C)CCC(COc2nc(C(C)(C)C)ccc2C#N)CC1 1559428777 WRIQILHSGGQRDG-UHFFFAOYSA-N 300.446 4.846 30 20 DJED CC1=C(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@@H]3C)CCC1 1583690464 PRFPADDCBUSSGU-JQWIXIFHSA-N 314.454 4.744 30 20 DJED N#CC1(C(=O)NC(C2CCCCC2)C2CCCCC2)CCCC1 1596320112 MBWOWGRUPLZDIW-UHFFFAOYSA-N 316.489 4.716 30 20 DJED CC[C@@H](C)c1ccc(NC(=O)CSc2cccc(C#N)c2)cc1 1613584342 SVNGWJIXTPMSEJ-CQSZACIVSA-N 324.449 4.803 30 20 DJED N#CCc1ccc(CN2C[C@H]3CCCC[C@@]32c2ccccc2)cc1 1615910180 LVMZHJRQROUJKE-FGZHOGPDSA-N 316.448 4.654 30 20 DJED Cc1ccc(N(CCC#N)C(=O)CC2CCC(C)(C)CC2)cc1 1626248672 FKTAZTKDPGDKQF-UHFFFAOYSA-N 312.457 4.848 30 20 DJED CC[C@@H]1CN([C@H](C#N)c2ccccc2)CC[C@@H]1c1ccccc1 1641976929 KYDVNKOCMFRQOA-JRGCBEDISA-N 304.437 4.767 30 20 DJED CCc1nc(C(C)C)ccc1CN(CCC#N)CC(CC)CC 1644736813 UCXBZYGHHKGHDU-UHFFFAOYSA-N 315.505 4.919 30 20 DJED C[C@@H](CC#N)N(C)Cc1cccc(Oc2ccc(Cl)cc2)c1 1644935375 VGEINOYAKQHKBN-AWEZNQCLSA-N 314.816 4.866 30 20 DJED C[C@H]1CCCC[C@@H]1COc1cc(Br)ccc1C#N 1652879524 UWHQYGQVJGECKV-WCQYABFASA-N 308.219 4.526 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CCC(=Cc2cccc(F)c2)CC1 1657864575 GFNMHOGUHFGLMA-MRXNPFEDSA-N 320.411 4.938 30 20 DJED CCCc1cccc(CN(CCC)Cc2ccc(C#N)cc2)c1 1658509655 ASSIQCJUQDVHOD-UHFFFAOYSA-N 306.453 4.923 30 20 DJED CCCOc1ccc(CN(CCC#N)CC(C)(C)C)cc1C 1658954982 FFDVOZXIJCVHSV-UHFFFAOYSA-N 302.462 4.546 30 20 DJED CC(C)(C)c1ccc(CCNC2(c3cccc(C#N)c3)CC2)cc1 1659187515 LELVPVFUICFTQI-UHFFFAOYSA-N 318.464 4.677 30 20 DJED COc1ccc(C(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 57437901 OEGOGTZGMYUYAH-BJMVGYQFSA-N 306.283 4.610 30 20 DJED C=C(C)COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC 60815744 SGPLRDUINSZJAM-YRNVUSSQSA-N 322.404 4.855 30 20 DJED CCc1cc(C#N)c(NC(=O)c2cccc(-c3ccoc3)c2)s1 89778063 ZDXADYHDDHRCKX-UHFFFAOYSA-N 322.389 4.694 30 20 DJED N#Cc1ccc(CNC2(c3ccc(Cl)cc3)CCC2)c(F)c1 104707475 CQGSHKIFDWKNIW-UHFFFAOYSA-N 314.791 4.520 30 20 DJED CCN(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(C)C 105039255 CTAUGQHUVZFSOU-UHFFFAOYSA-N 323.396 4.613 30 20 DJED Cc1cc(C)cc(C(=O)/C=C/c2csc(-c3ccccn3)n2)c1 107066930 WHFUSFNXGSKFFI-VOTSOKGWSA-N 320.417 4.718 30 20 DJED CC[C@H](C#N)Oc1cccc(CNCc2c(C)cc(C)cc2C)c1 113961304 TXAMFSFHHOEFNE-LJQANCHMSA-N 322.452 4.583 30 20 DJED CC(C)(C)[C@H](NCc1cc(C#N)cs1)c1ccc(F)cc1F 150873412 PUDRZLDODIKVFN-MRXNPFEDSA-N 320.408 4.775 30 20 DJED CCC(C)(CC)C(=O)Nc1ccccc1SC[C@H](C)C#N 159172914 YHVVQESWUNOIII-CYBMUJFWSA-N 304.459 4.703 30 20 DJED C=CC1CCN(C(=O)CCCCCO[C@@H]2CCC[C@H](C)C2)CC1 163620357 FZVUCAGCDLHXTO-PKOBYXMFSA-N 321.505 4.567 30 20 DJED CCOc1ccccc1[C@@H](CC)N[C@@H](C)c1ccc(C#N)cc1 179754416 DYWFQXWLYOBARD-HNAYVOBHSA-N 308.425 4.759 30 20 DJED N#CCCN(CC1CC1)C(=O)N(c1ccccc1)c1ccccc1 182534727 BPOSAGNRGVJFBM-UHFFFAOYSA-N 319.408 4.570 30 20 DJED COc1cccc2c1CCC[C@@H]2N[C@@H](CCC#N)c1ccccc1 194935233 ZZVNIRAXLJDIMF-PMACEKPBSA-N 320.436 4.707 30 20 DJED Cc1sccc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 294547409 IJZIDFUEKJEFJO-NSHDSACASA-N 316.451 4.703 30 20 DJED C[C@H](c1cc2ccccc2o1)N(C)c1ccc(Cl)c(C#N)n1 301502054 FGWGTHOASPAYDZ-LLVKDONJSA-N 311.772 4.550 30 20 DJED CC(C)(C)c1cc(C#N)c(NC(=O)CCCC(F)(F)F)s1 411008422 SHEVTOPOMUHXNU-UHFFFAOYSA-N 318.364 4.588 30 20 DJED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(-c2ccccc2)o1 436291926 QZWOHKZNHRPUGY-KNBMTAEXSA-N 311.425 4.578 30 20 DJED C[C@]1(NCc2ccc(C#N)cc2Cl)CCCc2ccccc21 439416567 BIZFZLKPSWLTMK-IBGZPJMESA-N 310.828 4.553 30 20 DJED CCC(C)(C)OCc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1C 442872022 YHTGKSASDKPCLC-NVXWUHKLSA-N 300.446 4.804 30 20 DJED Cc1cc(CSCc2cc3ccccc3nc2O)ccc1C#N 447413951 PCUKAVAFRCGNJK-UHFFFAOYSA-N 320.417 4.554 30 20 DJED N#C[C@H]1CC[C@@H](Sc2ncc(-c3ccc(Cl)cc3)o2)C1 450768323 KYBIGFKPCDGILM-GXFFZTMASA-N 304.802 4.779 30 20 DJED C=CCC(CC=C)C(=O)N[C@@H](C)c1ccc(SCC)cc1 467339254 SBJUOELQLHTOOD-AWEZNQCLSA-N 303.471 4.744 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)c2ccc3sccc3c2)cc1 471221552 VUSWZQYZJKLAEP-UHFFFAOYSA-N 320.417 4.955 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)c1ccc(C)c(Cl)c1 483370609 FQGQXAWRTVNANM-UHFFFAOYSA-N 317.791 4.616 30 20 DJED C[C@@H](c1ccccc1)N(C(=O)c1cccc(C#N)c1)C1CCCC1 485466334 JNADMGLJHPCORC-INIZCTEOSA-N 318.420 4.704 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)Nc1ccc(CC#N)cc1 486054396 QCNDUILKAAZSOK-DOTOQJQBSA-N 318.420 4.681 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1ccc2ccn(CCC)c2c1 488498407 AXNXYZHYFJDUPM-QGZVFWFLSA-N 311.429 4.624 30 20 DJED C=CCCc1ccccc1NC(=O)N1CCCCC(C)(C)C1 505034840 HVHLXURHGQMTJZ-UHFFFAOYSA-N 300.446 4.849 30 20 DJED N#CC1(NC(=O)CC2CCC(c3ccccc3)CC2)CCCCC1 521734247 LDVLRTTVXILWSH-UHFFFAOYSA-N 324.468 4.693 30 20 DJED C=C(C)[C@@H](CC(=O)N(CC)c1cccc2ccccc12)OCC 535162573 QQFBDGPJGYPMCK-LJQANCHMSA-N 311.425 4.564 30 20 DJED C=C[C@H](CC(=O)N(CCCC)CC(F)(F)F)c1ccccc1 536159980 GBPOFRGGNNOCEU-CQSZACIVSA-N 313.363 4.537 30 20 DJED Cc1cccc(COc2ccc([C@H](C)NCC3(C#N)CC3)cc2)c1 538391804 VIRRZPWIGXJDRO-KRWDZBQOSA-N 320.436 4.528 30 20 DJED Cc1ccc(-c2ncc(CNc3cccc(C#N)c3)s2)cc1 539963241 YJXFUEFHEVORGP-UHFFFAOYSA-N 305.406 4.602 30 20 DJED C[C@H](C#N)CNCc1ccc(-c2ccc(C(F)(F)F)cc2)s1 542693997 IUIJYSNVHMSGNW-LLVKDONJSA-N 324.371 4.683 30 20 DJED C=CCC(C)(C)c1noc([C@H]2CCC[C@@H](C(F)(F)F)C2)n1 556360629 ASZWFEREBJUKAQ-WDEREUQCSA-N 302.340 4.759 30 20 DJED CC(C)(C)C[C@@H](NC[C@@H](C#N)CCC#N)c1ccc(Cl)cc1 564856902 ZMZNRVUGIKBZIC-RHSMWYFYSA-N 317.864 4.850 30 20 DJED CCc1oc2ccccc2c1CN(C)Cc1cc(C#N)ccc1F 585767131 WWZPHLLJLANWSU-UHFFFAOYSA-N 322.383 4.638 30 20 DJED N#CCC1(CSc2ncc(C(F)(F)F)cc2Cl)CC1 594901674 LHBUNGXUTPAASJ-UHFFFAOYSA-N 306.740 4.540 30 20 DJED CO[C@H](CSCCCCC(C)(C)C#N)c1ccc(F)cc1 600637454 UQKSEDSYIPZARS-MRXNPFEDSA-N 309.450 4.966 30 20 DJED CCCN(c1ccc(C#N)cn1)[C@@H](C)c1cc2ccccc2o1 604304613 QGJUOSDETDVKOM-AWEZNQCLSA-N 305.381 4.677 30 20 DJED C=CCOc1ccccc1CN[C@H](CC)c1ccc(F)cc1F 606467728 CEOPWUUXHBPEIG-GOSISDBHSA-N 317.379 4.771 30 20 DJED C=CCCCCCN(C)C(=O)c1cc2c(C)cc(C)nc2s1 606816111 NFDLFIFEZQEYQO-UHFFFAOYSA-N 316.470 4.732 30 20 DJED C[C@@H](Nc1ccc(F)cc1OCC1CC1)c1cccc(C#N)c1 611474728 AYFGOUPNTIHCDH-CYBMUJFWSA-N 310.372 4.659 30 20 DJED O=C1/C(=C/c2ccccc2Br)CCc2sccc21 726891272 HWCVRFZSQABBQH-PKNBQFBNSA-N 319.223 4.723 30 20 DJED N#C[C@@H](C(=O)CC1=CCCCC1)c1nc2cc(F)ccc2s1 730421642 MZNUUWWGQBTRCV-ZDUSSCGKSA-N 314.385 4.502 30 20 DJED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1cc2ccccc2o1 739426830 WHKHRSVXHPEAHH-HJWRWDBZSA-N 307.305 4.546 30 20 DJED CCc1ccc(/C=C\C(=O)c2c(Cl)nc3sccn23)s1 741844924 STNAPWJPFKKRPA-WAYWQWQTSA-N 322.842 4.569 30 20 DJED Clc1ccc(C=NN=C2c3ccccc3-c3ccccc32)cn1 748780528 JXIMVKNHFPHREZ-UHFFFAOYSA-N 317.779 4.587 30 20 DJED CC(=NNc1ccc2ccccc2n1)c1ccc2ccccc2n1 749808007 RZENHBQWHKKIQC-UHFFFAOYSA-N 312.376 4.619 30 20 DJED N#Cc1c(F)ccc(/C=C\C(=O)c2ccc(F)c(F)c2)c1Cl 761479915 XQPJMFDPRYPIMK-UTCJRWHESA-N 321.685 4.525 30 20 DJED CCCCCCCCNC(=O)C1CCC(C(F)(F)F)CC1 766842041 JVTLDXAVGWSFQS-UHFFFAOYSA-N 307.400 4.832 30 20 DJED Cc1cc(C)c(NN=Cc2cn(C)nc2-c2cccs2)c(C)c1 769585871 NRTUMYVFKNSFFI-UHFFFAOYSA-N 324.453 4.520 30 20 DJED CC(C)(C)c1cc(NC(=O)C=C2CCCCC2)c(C#N)s1 774166588 UPXMQABFTNWWAJ-UHFFFAOYSA-N 302.443 4.746 30 20 DJED C#CCCCCCC(=O)Nc1cccc(-c2ccccc2OC)c1 780498785 XCWJRTOFNWTWMC-UHFFFAOYSA-N 321.420 4.884 30 20 DJED C=CCC[C@H](N[C@H](C)C[C@H](O)c1ccc(F)cc1)c1ccco1 789743684 JMNWOMFJLNMHMI-JLSDUUJJSA-N 317.404 4.528 30 20 DJED C=CCCCCCCCCNC(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C 807843281 IOBDSSJWOZKNOU-DLBZAZTESA-N 321.505 4.661 30 20 DJED CC(C[C@@H]1CCOC1)=NNc1ccc(Cl)c(C(F)(F)F)c1 844607281 UPKSUKODWOTTSO-JTQLQIEISA-N 320.742 4.573 30 20 DJED Cc1ccc(NCc2ccc(C#N)cc2OC(F)F)cc1Cl 863996674 UMFZDMJMAWLOSK-UHFFFAOYSA-N 322.742 4.734 30 20 DJED CCCOc1ccc(C(=O)/C=C/c2ccc3ncccc3c2)cc1 916128693 WPYFOHPZSLTCCC-WUXMJOGZSA-N 317.388 4.920 30 20 DJED CCOc1ccc(/C=C2/C(=O)c3ccccc3C2(C)C)cc1OC 920070292 NAUKOXJSLHQHJZ-ATVHPVEESA-N 322.404 4.651 30 20 DJED Cn1cc(-c2ccc(/C=C\C(=O)c3ccccc3Cl)cc2)cn1 1116875418 GMQMBLXNLDWFRZ-FLIBITNWSA-N 322.795 4.637 30 20 DJED Cc1cccc([C@H]2CCCCN2c2ccc(C#N)c(C)n2)c1C 1162659662 VJVQNCCWRFIMFH-LJQANCHMSA-N 305.425 4.610 30 20 DJED N#C[C@H]1CC[C@@H](N[C@H]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 1206376619 KPDQDQALCUNEFE-SYEQVDHESA-N 323.267 4.911 30 20 DJED C[C@@H](Sc1cccnc1C#N)c1cccc(Br)c1 1307342701 LGTNCWFLKYSFEJ-SNVBAGLBSA-N 319.227 4.569 30 20 DJED Cc1ccc(-c2nc(CNc3cc(F)cc(C#N)c3)cs2)cc1 1308491765 XSRWMDXVQGZYTK-UHFFFAOYSA-N 323.396 4.741 30 20 DJED C[C@@H](Nc1ccc(OCC#N)cc1)c1ccc(OC(C)(C)C)cc1 1320262144 UYPFMXCITPNRQM-OAHLLOKOSA-N 324.424 4.939 30 20 DJED CC[C@H](Cc1ccccc1C)c1nnc(-c2ccc(C#N)cc2)o1 1329323636 JEBJFGXLZYFOBH-MRXNPFEDSA-N 317.392 4.653 30 20 DJED CCC(=NNc1ccc(C(C)(C)C)nn1)c1ccc(Cl)s1 1339229783 BMARUBUANQECAS-UHFFFAOYSA-N 322.865 4.715 30 20 DJED Cc1sc(NC(=O)C[C@@H]2CCCCC2(C)C)c(C#N)c1C 1348959197 YPENHAWRBWNVLE-ZDUSSCGKSA-N 304.459 4.782 30 20 DJED CC1(CNC(=O)Nc2ccc(C#N)c(Cl)c2)CCCCCC1 1465062377 UYGKRTBYUAPGIR-UHFFFAOYSA-N 319.836 4.694 30 20 DJED Cc1ccc(CC(C)(C)Nc2nc(C)c(C#N)cc2Cl)cc1 1472809225 MNNHOXZMJJZYTE-UHFFFAOYSA-N 313.832 4.657 30 20 DJED N#Cc1cccnc1N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 1472809236 MVRXFELVEKTDPZ-WMLDXEAASA-N 311.816 4.745 30 20 DJED Cc1nc(-c2cccc(CNc3cccc(F)c3C#N)c2)cs1 1472843245 RBDZFPUWQUJUQN-UHFFFAOYSA-N 323.396 4.741 30 20 DJED N#CC1(CCN2C[C@H]3CCCCN3c3ccccc32)CCCCC1 1473516457 UMVMFNCGFJYKLG-GOSISDBHSA-N 323.484 4.730 30 20 DJED CC1(C)CCC(CC(=O)Nc2ccc(C#N)cc2Cl)CC1 1525623524 WZBUDVPQJUHJSD-UHFFFAOYSA-N 304.821 4.757 30 20 DJED N#CCc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)c1 1526250425 XWVPKTXULQRBPN-WOJBJXKFSA-N 318.420 4.665 30 20 DJED Cc1cc(N[C@@H](C)C2(c3ccccc3)CCCC2)ncc1C#N 1559168425 VCUQQJYZCYYRNI-INIZCTEOSA-N 305.425 4.574 30 20 DJED CC(C)c1ccc(C[C@@H](C)Nc2nc(C#N)c(Cl)s2)cc1 1612145547 RXNSIDSSTCMKRY-LLVKDONJSA-N 319.861 4.835 30 20 DJED CC(C)[C@@H](CNc1ncc(C#N)cc1F)c1ccc(Cl)cc1 1612357874 UOPLCWBMQPVRAN-OAHLLOKOSA-N 317.795 4.597 30 20 DJED CC[C@H](NCCC1(C#N)CCCCC1)c1cc(F)ccc1F 1616720721 MLBLPRMXRIDQHJ-KRWDZBQOSA-N 306.400 4.870 30 20 DJED C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1[C@H](C)c1cccc(C#N)c1 1641808877 RKPGUOKLAYXXBJ-SPYBWZPUSA-N 308.400 4.636 30 20 DJED CCC(CC)Cn1c(-c2ccc(Cl)s2)ccc(C#N)c1=O 1644037254 MNDHUQGKZYIOFK-UHFFFAOYSA-N 320.845 4.538 30 20 DJED C[C@@H](CCC#N)CN1Cc2ccccc2C[C@H]1c1ccccc1 1658871485 KHYARQKCHPKWCQ-UWJYYQICSA-N 304.437 4.726 30 20 DJED O=C(O)/C=C/c1ccc(/C=C\C(=O)c2ccc(C3CCC3)cc2)o1 1777624032 KACGAXGWOWYLPD-PJABCKPXSA-N 322.360 4.541 30 20 DJED N#Cc1ccc(NC(=O)N2CCC[C@H]2CC2CCCCC2)cc1 60975013 KWMCUAXFEHCBQM-SFHVURJKSA-N 311.429 4.525 30 20 DJED Cc1cccc(Oc2ccc(NC(=O)N(C)[C@@H](C)CC#N)cc2)c1 86280902 FMIZAHWFWCKUEV-HNNXBMFYSA-N 323.396 4.553 30 20 DJED N#C[C@H](C(=O)CC1=CCCCC1)c1nc(-c2ccccc2)cs1 106985223 CCJCSJNCSJEBPY-MRXNPFEDSA-N 322.433 4.877 30 20 DJED Cc1nc(C(C)C)sc1[C@@H](C)N(C)CCCC(C)(C)C#N 121115409 OCVHGZFJBCCLRE-CQSZACIVSA-N 307.507 4.898 30 20 DJED C[C@@H]1CCC[C@@H](OCc2cccc(NCc3ccc(C#N)o3)c2)C1 123843939 DHEVBCXSSVXREM-CRAIPNDOSA-N 324.424 4.859 30 20 DJED CCOc1cccc(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 155589357 XBYMBEHOTTXSJC-UHFFFAOYSA-N 323.396 4.530 30 20 DJED CCN(C(=O)c1cccc(Cl)c1)c1ccc(C#N)c(Cl)c1 156555117 YNBNUIYVRXSOPH-UHFFFAOYSA-N 319.191 4.532 30 20 DJED O=C(/C=C\c1cccc2c1OCO2)c1ccc(Cl)c(Cl)c1 206945934 SYPNNIVQRKIRFY-ALCCZGGFSA-N 321.159 4.618 30 20 DJED CCC[C@@H](C)N(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 264575149 WKWSAUDDWCGVNH-UONOGXRCSA-N 319.474 4.591 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccccc1OC(F)F 268808242 MYZAPFTVAGSQEC-OLZOCXBDSA-N 316.351 4.571 30 20 DJED CC[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(C#N)cc1 278391914 DWGPKCGWMQJVCX-PMACEKPBSA-N 303.409 4.644 30 20 DJED CCC(CC)c1cc(CNc2c(Cl)cccc2C#N)on1 301473462 UZMAYERVXOWVPK-UHFFFAOYSA-N 303.793 4.715 30 20 DJED Cc1cc(N[C@H](C)c2ccc(C#N)cc2)c2cc(F)ccc2n1 301642670 BVLWJHRISXOQHF-CYBMUJFWSA-N 305.356 4.727 30 20 DJED C=CCN(Cc1ccc(Cl)nc1)Cc1ccc(Cl)s1 303327896 BERLBVIAYHCNNU-UHFFFAOYSA-N 313.253 4.638 30 20 DJED N#CC1(C(=O)Nc2ccc(Oc3ccccc3)cc2)CCCCC1 391975792 AQFASOMHJAQVMC-UHFFFAOYSA-N 320.392 4.891 30 20 DJED C[C@@H](C1CCCCC1)N(C)C(=O)Nc1ccc(C#N)cc1Cl 446188255 VECIBFDHEYHLSZ-LBPRGKRZSA-N 319.836 4.644 30 20 DJED C=CCCCC[C@@H](C)Nc1ccc(CS(=O)(=O)C(C)C)cc1 449052033 CARFALQBAPAQRQ-MRXNPFEDSA-N 323.502 4.557 30 20 DJED C=CC(C)(C)CNC(=O)Nc1cccc(COC(C)(C)C)c1C 454935049 XDBBXBDBGNFZGC-UHFFFAOYSA-N 318.461 4.644 30 20 DJED N#CCN(C(=O)c1ccc(C2CCCC2)cc1)c1ccccc1 463676134 IEZXGJBOGXJTNY-UHFFFAOYSA-N 304.393 4.515 30 20 DJED C=CCCC1(C(=O)Nc2cc(Cl)ccc2OC(C)C)CC1 464673719 ORNIBEAJLZFECO-UHFFFAOYSA-N 307.821 4.812 30 20 DJED C=CCCCCNC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 471709454 PKGTVPHZARDSCZ-NSHDSACASA-N 300.229 4.569 30 20 DJED C=CCCCCCN1CCC(C(=O)c2cc(F)ccc2F)CC1 486681322 JBPKRBGWFRKTSX-UHFFFAOYSA-N 321.411 4.606 30 20 DJED C[C@@H](C#N)CSc1ccccc1NCc1ccc(Cl)cn1 520583547 VUIVHEVMJVNTKB-LBPRGKRZSA-N 317.845 4.599 30 20 DJED C=CCCCCCN(C)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl 523575516 XIFVUYFINILAMD-KBPBESRZSA-N 323.839 4.787 30 20 DJED CCCCCN(C(=O)c1ccc(CC#N)cc1)[C@H](C)CCC 534642525 LZVDOVVPUQXRQS-MRXNPFEDSA-N 300.446 4.574 30 20 DJED Cc1cnc([C@@H](C)Nc2ccc(Oc3ccccc3C#N)cc2)o1 537773208 DMZRBEKSVCOITO-CQSZACIVSA-N 319.364 4.820 30 20 DJED CC1(C)C[C@H](NC2(c3cccc(C#N)c3)CC2)c2ccccc21 556602857 CWERECFCXKFFOF-IBGZPJMESA-N 302.421 4.560 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CC[C@H](C)CC1 568987530 NTZKVRKFXQEDFP-KKUMJFAQSA-N 316.470 4.703 30 20 DJED C=CCCC(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C 588026934 APZXAGOYMLEZES-UHFFFAOYSA-N 323.396 4.544 30 20 DJED C=CCOc1cccc(CN[C@@H](c2ccccc2)C2CCC2)c1 591699401 SXTQKXHYHFHGSO-NRFANRHFSA-N 307.437 4.882 30 20 DJED Cc1ccc(CN(Cc2ccco2)C[C@@H](C)CCC#N)s1 602453036 YFFOUVFZNBAKCR-AWEZNQCLSA-N 302.443 4.592 30 20 DJED CC(C)(C#N)CNCc1ccc(-c2ccccc2Cl)s1 612585166 QDRAXRLAOYTQIY-UHFFFAOYSA-N 304.846 4.708 30 20 DJED CC[C@H](N[C@H]1CSCc2ccccc21)c1ccc(C#N)cc1 618570504 LYMHJWGRWCYFFV-OALUTQOASA-N 308.450 4.587 30 20 DJED N#C[C@H](C(=O)c1ccc(C2CCC2)cc1)c1nc(C2CC2)cs1 647379567 VJZWRAWBGZGDJP-MRXNPFEDSA-N 322.433 4.778 30 20 DJED CCCC[C@@H]1CCCC1=NNc1oc(CC(C)C)nc1C#N 727257534 RCMZEDHQXGVARG-CYBMUJFWSA-N 302.422 4.503 30 20 DJED CC(=NNc1ccc(Cl)cc1Cl)c1ccc(O)cc1F 729932674 OHKASZNGLJHNMX-UHFFFAOYSA-N 313.159 4.674 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(N3CCCCC3)cc1)C2 730948995 OBPYAIYMMPOZOM-XMHGGMMESA-N 317.432 4.808 30 20 DJED C#CCCOc1ccc(CN[C@@H](c2ccccc2)C(C)(C)C)cc1 733324387 VJGYLLLHMBGFSF-NRFANRHFSA-N 321.464 4.966 30 20 DJED N#C[C@H](C(=O)/C=C\C1CCCCC1)c1ccc2ccccc2n1 735593997 SGEMICCDJWGMOU-QFSNBGPKSA-N 304.393 4.548 30 20 DJED Cc1ccc2c(c1C)C(=O)/C(=C/c1ccc3ncccc3c1)CO2 737443920 MUJZNQSHWBLXEE-GZTJUZNOSA-N 315.372 4.510 30 20 DJED CCCCCCCCC(=O)N1CC[C@@H](c2ccccc2OC)C1 737739733 LEKIINCNRPYAFN-QGZVFWFLSA-N 317.473 4.762 30 20 DJED N#Cc1ccc(F)c(CNCc2cc(-c3ccccc3)cs2)c1 742381978 VTHAMZGWSPBTDM-UHFFFAOYSA-N 322.408 4.716 30 20 DJED C[C@@H](/N=C/c1c(O)ccc2ccccc12)c1cccc(C#N)c1 743501243 HFWHHDKFOVCKJM-CYGNYLSHSA-N 300.361 4.597 30 20 DJED Cc1cc(/C=C/C(=O)c2cccs2)ccc1Br 746395046 UZRRSBDRRCETQM-FNORWQNLSA-N 307.212 4.715 30 20 DJED CC[C@H](C)Oc1cc(/C=C\C(=O)c2ccsc2)ccc1OC 749452667 MWKJLTAECCUKGK-VGVVRCBHSA-N 316.422 4.830 30 20 DJED CC(=NNc1cc(C)ccn1)c1cc(Cl)sc1Cl 755903585 RMMBTCPXTXOEHL-UHFFFAOYSA-N 300.214 4.594 30 20 DJED C#Cc1cccc(NC(=O)c2ccc(Cl)cc2SCC)c1 763394239 RYRGCCNCOHQINO-UHFFFAOYSA-N 315.825 4.686 30 20 DJED C#CCOc1ccc([C@@H](C)N[C@H](CC)c2ccccc2OC)cc1 764882625 NTMQVKINMLENIW-OXQOHEQNSA-N 323.436 4.509 30 20 DJED CC(C)(C#N)CCCCOC(=O)C(C)(C)c1ccccc1Cl 768669397 KRKOSLMHKKCHAI-UHFFFAOYSA-N 321.848 4.881 30 20 DJED CCCCCCCCCN(C)C(=O)Nc1ccc2c(c1)COC2 768921500 XYBSQMNREIVICY-UHFFFAOYSA-N 318.461 4.931 30 20 DJED CCc1nc2ccccc2c(C(=O)OCCCC(C)(C)C#N)c1C 781942632 HKQBISHIVKEQDR-UHFFFAOYSA-N 324.424 4.592 30 20 DJED C=C[C@](C)(CCOC)C(=O)Nc1ccc(-c2ccccc2)cc1C 782265482 TVWXCEBTXBWBCT-OAQYLSRUSA-N 323.436 4.829 30 20 DJED O=C(/C=C\c1scnc1C1CC1)c1c[nH]c2cc(F)ccc12 782327537 LILKVQXGNOBKBR-WAYWQWQTSA-N 312.369 4.537 30 20 DJED CC[C@@H](NCc1ccc(C#N)cn1)c1ccc(Cl)c(Cl)c1 783300721 QMYBYNZKKRSCDM-MRXNPFEDSA-N 320.223 4.501 30 20 DJED O=C(/C=C/c1cscc1Br)c1ccccc1F 794690893 MPTYRGVJJPZLOD-AATRIKPKSA-N 311.175 4.546 30 20 DJED CCCCCCOCc1cccc(NC(=O)[C@](C)(C#N)CC)c1 795592684 NFUQTFVAHUPWJV-IBGZPJMESA-N 316.445 4.662 30 20 DJED N#C[C@H](C(=O)[C@@H](F)CC1CCCCC1)c1ccc2ccccc2n1 796629529 QBTDUWQAYHPMNC-IRXDYDNUSA-N 324.399 4.720 30 20 DJED CC(C)(C)c1cnc([C@H](C#N)C(=O)CC2=CCCCC2)s1 797571022 KXNSBFLFTGJVGB-CYBMUJFWSA-N 302.443 4.507 30 20 DJED C#C[C@H](NC(=O)Nc1c(C(C)C)cccc1C(C)C)C(C)C 821507924 JNMPDSJIHWNJKF-KRWDZBQOSA-N 300.446 4.713 30 20 DJED COc1cccc(-c2nc(/C=C/C(=O)c3ccccc3)cs2)c1 916134414 SANSSWRTRWHFQO-ZHACJKMWSA-N 321.401 4.715 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1ccc(-c2cccs2)s1 1116535138 UFBIFILAHYXLJB-UHFFFAOYSA-N 324.430 4.909 30 20 DJED Cc1cc(F)ccc1N(C/C=C/Cl)Cc1ccc(C#N)cc1 1167850462 ABAUQZWOKXIICV-XNWCZRBMSA-N 314.791 4.765 30 20 DJED CCC[C@H](Cc1ccccc1)N(CCC)Cc1cc(C#N)ccn1 1232481344 CPGSDMYLTVTMGM-OAQYLSRUSA-N 321.468 4.577 30 20 DJED C=C(Cl)CSc1nnc(Nc2ccc(C)c(C)c2)s1 1307253472 ZHLDBZNAKWPGFL-UHFFFAOYSA-N 311.863 4.743 30 20 DJED CCCC[C@H](CCC)CNC(=O)N[C@H](C)c1cccc(C#N)c1 1312243509 UQEKNJZWTZWHNF-CVEARBPZSA-N 315.461 4.525 30 20 DJED C=CC[C@H](N[C@H]1C[C@@H](C)c2c(C)ccc(O)c21)c1ccncc1 1320118489 LZOWCLJFBFKHTH-PVAVHDDUSA-N 308.425 4.551 30 20 DJED CC[C@H](c1ccccc1)c1nnc(/C=C\c2ccccc2C#N)o1 1322362512 DAHDFHJXPBRTCP-MENFKHAKSA-N 315.376 4.654 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1CCC2(CC1)CC2 1355616113 KVZDFVVRFSCVQN-UHFFFAOYSA-N 324.468 4.513 30 20 DJED COc1cccc([C@@H](C)SCc2ccc(C#N)cc2F)c1 1458992600 HCRQGBYCQNSGMD-GFCCVEGCSA-N 301.386 4.700 30 20 DJED CC[C@@H](C)N(CC)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1470062823 OOCYPSDUBVVVGT-OAHLLOKOSA-N 321.424 4.562 30 20 DJED N#Cc1ccc(C(=O)O[C@@H](c2ccccc2)C2CCCCC2)o1 1523401307 MYCNCYOHWCEEAB-SFHVURJKSA-N 309.365 4.630 30 20 DJED CC(C)[C@@H](Cc1ccccc1)C(=O)O[C@H](C)c1ccc(C#N)cc1 1524301269 GMKIZSHBQCWTBI-OXQOHEQNSA-N 321.420 4.677 30 20 DJED Cc1c(Cl)cc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1Cl 1527142807 NEDHOKIZSUERIW-INIZCTEOSA-N 323.223 4.714 30 20 DJED N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cccc(C3CCC3)c2)c1 1544703465 PJWDAWVAJAYPAV-VQTJNVASSA-N 316.404 4.568 30 20 DJED CC[C@@H](C)c1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)cc1 1545082003 IPQIRESRVJDSHZ-OXQOHEQNSA-N 320.436 4.975 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCC[C@H](c2ccccc2)C1 1559853497 CHYNQZFVIONIKI-IBGZPJMESA-N 318.464 4.867 30 20 DJED CC[C@H](CC(=O)Nc1cccc(CC#N)c1)c1ccc(C)cc1 1587609377 KLABMAQQROJNPD-QGZVFWFLSA-N 306.409 4.584 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CCC(=Cc2ccccc2F)CC1 1652905538 LTZPDRMWYPWPBO-MRXNPFEDSA-N 320.411 4.938 30 20 DJED N#Cc1ccc(Sc2c(C#N)cnc3c(Cl)cccc23)cc1 1655010998 SPGMTXSDTYNIMG-UHFFFAOYSA-N 321.792 4.783 30 20 DJED CCCN(Cc1ccc(C#N)c(C)c1)Cc1ccc(F)cc1F 1663937180 NUARREKQKVUCNG-UHFFFAOYSA-N 314.379 4.557 30 20 DJED C[C@@H](CCC1CCCCC1)NC(=O)Nc1ccc(C#N)c(F)c1 1672080683 ROKIPFJDMDJENL-ZDUSSCGKSA-N 317.408 4.568 30 20 DJED C=C(CNC(=O)N(C)C[C@@H](C)C1CCCCC1)c1ccccc1 1682945373 JMUIMQNWYIDPEO-QGZVFWFLSA-N 314.473 4.558 30 20 DJED CC(C)c1cccc(/C=C2/C[C@@H](C(=O)O)c3ccccc3C2=O)c1 1776375970 OIZPSOKPWQJYEA-JVCXIRSZSA-N 320.388 4.648 30 20 DJED Cc1sc2ncnc(Oc3ccc(C#N)cc3Cl)c2c1C 15117011 SPQNQFZMXHUXDC-UHFFFAOYSA-N 315.785 4.626 30 20 DJED CC(C)c1noc([C@H](C)S[C@@H](C)c2ccc(C#N)cc2)n1 118444152 JJTYBVZPUJYOTP-RYUDHWBXSA-N 301.415 4.620 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2cccc(C)c2Cl)cc1 122022961 AQSZJUILLBCDAN-UHFFFAOYSA-N 312.800 4.517 30 20 DJED CC(C)(C)c1nc(CNc2ccc(Cl)c(C#N)c2)cs1 122481230 IIHSEJITTFSCIA-UHFFFAOYSA-N 305.834 4.578 30 20 DJED Cc1csc(-c2ccc(NCc3ccc(C#N)cc3)cc2)n1 125042222 JTGFOBXUFLUDAX-UHFFFAOYSA-N 305.406 4.602 30 20 DJED CCC1(C(=O)Nc2ccccc2SC[C@H](C)C#N)CCCC1 153543343 XJNOTXCEJHHOOA-CQSZACIVSA-N 316.470 4.847 30 20 DJED N#Cc1csc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)c1 176843141 PBBLGPZAEWKYCC-AATRIKPKSA-N 307.296 4.535 30 20 DJED CC[C@@H](C)N(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 177793303 MKIICBPZYFUEDA-CQSZACIVSA-N 324.449 4.580 30 20 DJED CC1(C)CCCC[C@H]1CC(=O)[C@@H](C#N)c1nc2ccccc2o1 178717309 AAOKISYBLBMEFQ-UONOGXRCSA-N 310.397 4.611 30 20 DJED C=C[C@@](C)(CC)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 188320088 XMMSJRVRWHIWPE-ACJLOTCBSA-N 314.454 4.590 30 20 DJED CC(C)Oc1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)cc1 192971328 QNTGDDRQHVUJRO-JKSUJKDBSA-N 308.425 4.757 30 20 DJED C[C@H](N[C@H](C)c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 213670664 QNXQQPCJJMESGJ-NWDGAFQWSA-N 302.780 4.763 30 20 DJED C=CCOc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1 237840582 LLGKEWHHTKULTR-UHFFFAOYSA-N 321.342 4.560 30 20 DJED N#Cc1ccc(/C=C(/Cl)c2nc3ccccc3s2)s1 255036068 BVDAIKJUZTWDNL-YRNVUSSQSA-N 302.811 4.966 30 20 DJED C[C@H]1C[C@H](C(O)=Nc2ncc(C3CCCCC3)s2)CCC1=O 329302418 NKGZBMOAMBOYET-WCQYABFASA-N 320.458 4.784 30 20 DJED C[C@H](NCC(C)(C)CC#N)c1cc(Cl)ccc1OC(F)F 414161391 FKOLRSWPPZDJBK-JTQLQIEISA-N 316.779 4.532 30 20 DJED CC(C)CC(C)(C)C(=O)Nc1sc2c(c1C#N)CCCC2 439775756 RMIVFBIWQJTAAX-UHFFFAOYSA-N 304.459 4.509 30 20 DJED N#C[C@H]1CC[C@@H](Nc2cccc(COc3cccc(F)c3)c2)C1 442861628 UPXGDJIQFIRHHK-KBXCAEBGSA-N 310.372 4.509 30 20 DJED C=CCOCCCC(=O)N(c1ccccc1)[C@H](C)c1ccccc1 443883945 ZYPWAQFXDYGPQN-GOSISDBHSA-N 323.436 4.764 30 20 DJED CC(C)(CN[C@H]1CCC[C@@H](C#N)C1)c1ccc(C(F)(F)F)cc1 446811884 FDCMGUNHPOISGY-CJNGLKHVSA-N 324.390 4.655 30 20 DJED Cc1ccc(-c2cnc(CSc3ccc(C#N)cc3)o2)cc1 463250512 MOTRTGQRGBFOLL-UHFFFAOYSA-N 306.390 4.814 30 20 DJED C=CCCOCCCCC(=O)N1C[C@@H](C(C)C)c2ccccc21 470386912 KGNBTYLWDKHLQS-SFHVURJKSA-N 315.457 4.536 30 20 DJED N#C[C@H]1CC[C@@H](NCc2ccc(Sc3ccccc3)cc2)C1 472155444 LVWSVIWZJHWZCS-DLBZAZTESA-N 308.450 4.620 30 20 DJED C=CC1CCN(C(=O)N[C@H](CC(C)(C)C)c2ccccc2)CC1 476297258 QITVCMGRYFJUSF-GOSISDBHSA-N 314.473 4.772 30 20 DJED C=C(C)[C@H](NCc1cc(C)ccc1F)c1ccc(F)c(F)c1 479425293 SIQAUDZTZQKORZ-SFHVURJKSA-N 305.343 4.819 30 20 DJED C=CCCCC(=O)Nc1ccc(OC(C)C)cc1C(F)(F)F 480884718 UQIHHMFNVFADEI-UHFFFAOYSA-N 315.335 4.787 30 20 DJED C=CCN(CC=C)C(=O)[C@@H](C)S[C@H](C)c1ccccc1Cl 498107613 SBICXSWAUNOJFT-ZIAGYGMSSA-N 323.889 4.723 30 20 DJED Cc1ccc(Cl)c(NC(=O)N2CCC(CCC#N)CC2)c1C 514789566 NIWLGDKIJWIFKT-UHFFFAOYSA-N 319.836 4.505 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)[C@H](C)CC 523473585 CPNBETYFNNNCHP-NEPJUHHUSA-N 314.882 4.534 30 20 DJED CC(C)c1ccc(Sc2c(C#N)nnc3ccccc23)cc1 524725387 QYPSUUFVLGJNQC-UHFFFAOYSA-N 305.406 4.776 30 20 DJED CCC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(OC)cc1 531951130 AKORUZJWAQFLBJ-QRWLVFNGSA-N 308.425 4.759 30 20 DJED CCc1c(C)sc(NC(=O)c2ccc(C(C)C)s2)c1C#N 545478334 XNSAMYVCXVQTRJ-UHFFFAOYSA-N 318.467 4.928 30 20 DJED C[C@@H]1CCC[C@@H](c2noc([C@@H]3C[C@H]3c3cccc(C#N)c3)n2)C1 568732588 FERRYGHYIKPEBX-VDNDLQMASA-N 307.397 4.506 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](c1ccccc1)C1CC1 577237140 MOAUWOPSEOWDFD-NHCUHLMSSA-N 302.421 4.677 30 20 DJED N#CCCCCCC(=O)Nc1ccc(COc2ccccc2)cc1 588163234 HEVMUCSNWWQCJF-UHFFFAOYSA-N 322.408 4.678 30 20 DJED Cc1sc(NC(=O)CCCCCC#N)nc1-c1ccccc1 588271204 DNHLIPQJBNBOCU-UHFFFAOYSA-N 313.426 4.531 30 20 DJED C=C(C)CN(CC)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 590015651 WGGARVKIFNZKTR-QWHCGFSZSA-N 312.240 4.522 30 20 DJED N#Cc1ccc(F)c(CN2CCC[C@H]2c2ccccc2Cl)c1 603856890 BGOAVVIAQIMDJT-SFHVURJKSA-N 314.791 4.688 30 20 DJED C[C@H](CC(=O)Nc1cc(C#N)ccc1OC(F)F)CC(C)(C)C 609066442 BZAJFIGZIBRBET-LLVKDONJSA-N 324.371 4.561 30 20 DJED CCCCC1CCC(C(=O)N(C)c2ccc(C#N)cc2F)CC1 609216272 KDMBGXVNBWIXQT-UHFFFAOYSA-N 316.420 4.657 30 20 DJED C=CCCOCCCCC(=O)Nc1c(C)cc(C)cc1Cl 678931142 CYOFKZXHPAEPDQ-UHFFFAOYSA-N 309.837 4.658 30 20 DJED C[C@H](OC(=O)/C=C\c1ccc(Cl)s1)c1cccc(C#N)c1 727640121 BWAPUZOJRBXFOV-JYKYSHPRSA-N 317.797 4.591 30 20 DJED C#Cc1cccc(N(Cc2cccs2)C(=O)CC2CCCC2)c1 728181630 TWHSTHUUMLYGOB-UHFFFAOYSA-N 323.461 4.843 30 20 DJED CCCCCCC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730416567 DEGOMUZXBHCLLM-LBPRGKRZSA-N 304.390 4.582 30 20 DJED C[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)C(C)(C)C 734334515 BBIKLUCHPSXLCD-OAHLLOKOSA-N 320.436 4.637 30 20 DJED C=CCC(=NNc1ncccc1C(F)(F)F)c1ccc(F)cc1 735612209 GPMMREYHUWNBQM-UHFFFAOYSA-N 323.293 4.632 30 20 DJED CCCCCCCCCCC(=O)N1CCCC2(CCOCC2)C1 742084126 LMAYSJXWPZTHNK-UHFFFAOYSA-N 323.521 4.936 30 20 DJED Cc1nn(Cc2ccccc2)c(C)c1/C=C/C(=O)c1ccsc1 749104108 JJUHGZNDCTWOOG-CMDGGOBGSA-N 322.433 4.506 30 20 DJED Cc1ccc2cc(C(=O)/C=C/c3nc(Cl)cs3)oc2c1 754829390 LKPHDYNEVJHTKF-SNAWJCMRSA-N 303.770 4.747 30 20 DJED O=C(/C=C/c1nc(Cl)cs1)c1cccc(C(F)(F)F)c1 759074259 TULFVKRTUYUHSF-SNAWJCMRSA-N 317.719 4.711 30 20 DJED O=C1/C(=C\c2nccc3ccccc23)Cc2ccc(Cl)cc21 762448002 UFNOABQBBVITKH-UVTDQMKNSA-N 305.764 4.711 30 20 DJED C#CCOc1ccc([C@@H](C)N[C@H](c2ccccc2)C2CC2)cc1 764742234 DGCJCZMNKLYAHY-IIBYNOLFSA-N 305.421 4.501 30 20 DJED Cc1cncc(C(=O)/C=C\c2ccc(SC(F)F)cc2)c1 767367124 LMBRLCNZNOTHCS-DAXSKMNVSA-N 305.349 4.601 30 20 DJED C[C@H](C#N)Oc1ccc(CN(C2CC2)[C@H](C)c2ccccc2)cc1 768258179 SHUKKEHCRQKNQA-IAGOWNOFSA-N 320.436 4.703 30 20 DJED C[C@@H](SCc1ccccc1)C(=O)OCCCCC(C)(C)C#N 768605381 GGLIWYUYPSHJFO-OAHLLOKOSA-N 319.470 4.572 30 20 DJED C[C@@H](C(=O)OCCCCC(C)(C)C#N)c1ccc(Cl)s1 768754537 IVBUGRACDYBCJS-LLVKDONJSA-N 313.850 4.768 30 20 DJED CC(C)(C#N)OC(=O)c1ccc(Oc2ccccc2Cl)cc1 779225838 GMQQANNAOJXERB-UHFFFAOYSA-N 315.756 4.591 30 20 DJED COc1cc(C)c(C(=O)/C=C\c2scnc2C2CC2)cc1C 782351356 JSRMZBXOUJKFOB-SREVYHEPSA-N 313.422 4.542 30 20 DJED N#C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)C1CCCCC1 787140347 VDENERMDGMWBOX-UPJWGTAASA-N 323.845 4.521 30 20 DJED O=C(/C=C\c1ccc(-c2cccc(F)c2F)o1)c1cccnc1 790209899 AUMUQJMOSYLWDW-VURMDHGXSA-N 311.287 4.516 30 20 DJED CC(=NNc1nccnc1C1CCC1)c1oc2ccccc2c1C 807991199 JIJKSPDHMPMFLU-UHFFFAOYSA-N 320.396 4.635 30 20 DJED O=C1/C(=C/c2ccc(Cl)cc2Cl)Cc2c(O)cccc21 810249248 RKNQQQHXOFHKCJ-UXBLZVDNSA-N 305.160 4.521 30 20 DJED O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CC/C1=C\c1ccccc1F 818470415 NPFYFCUGLTWMTK-RWIOWDNPSA-N 323.323 4.564 30 20 DJED CCOc1ccc(SCCCOc2ccc(C#N)cc2)cc1 915794655 MAHBFBSILWQULN-UHFFFAOYSA-N 313.422 4.518 30 20 DJED CCCCn1nc(C)c(/C=C\C(=O)c2ccc(F)cc2)c1Cl 916135656 DVBQRIQKALQWPE-KTKRTIGZSA-N 320.795 4.680 30 20 DJED CCC(=NNc1ncc(Cl)cc1Cl)c1cccs1 916317145 ZDDUYNPEGBOFNR-UHFFFAOYSA-N 300.214 4.676 30 20 DJED Oc1ccc(Cl)cc1C=Nc1ccc(OC(F)F)c(F)c1 917556998 SYFGUPIUWZOCTA-UHFFFAOYSA-N 315.678 4.537 30 20 DJED Cc1cc(NN=Cc2sccc2C)ccc1Br 920478517 ADIYQDDDBVDEGY-UHFFFAOYSA-N 309.232 4.573 30 20 DJED Cc1ccc(N[C@H](C)CC(C)(C)C#N)cc1NC(=O)C(C)(C)C 926088733 KAXVJHYIIQKPCR-CQSZACIVSA-N 315.461 4.720 30 20 DJED N#Cc1ccnc(/C=C/c2ccc(Cl)c(Br)c2)c1 1117390798 ASIZPEHALYMYHD-HNQUOIGGSA-N 319.589 4.540 30 20 DJED Cc1ccnc(N(C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)c1C#N 1162717920 PZLKKZGBPXETMJ-UONOGXRCSA-N 313.832 4.544 30 20 DJED Cc1c(C#N)c(SC[C@H]2CCC[C@@H](C)C2)nc2c1CCC2 1165282864 YREJRYZDSYGXDC-OCCSQVGLSA-N 300.471 4.669 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1N1CCC2(CCCC2)C1 1185498467 SKFICZKTHZVMJR-UHFFFAOYSA-N 311.816 4.530 30 20 DJED N#Cc1ccc(CN(C2CC2)[C@H]2CCCc3ccccc32)c(F)c1 1204705840 MKTDPWQBRCQEIZ-NRFANRHFSA-N 320.411 4.739 30 20 DJED CCCCc1ccc(-c2nnc(-c3cccc(C#N)c3)o2)cc1 1257951201 KKYVZGAOYVYGHO-UHFFFAOYSA-N 303.365 4.618 30 20 DJED N#CC1(c2nnc(-c3cccc4ccccc34)o2)CCCCC1 1261428042 WFRPTEPJFHBVQE-UHFFFAOYSA-N 303.365 4.615 30 20 DJED Cc1nc(N(Cc2ccc(C(C)C)cc2)C2CC2)ccc1C#N 1306918286 PPSQKHAFNFGXLN-UHFFFAOYSA-N 305.425 4.554 30 20 DJED COc1ccc([C@H](C)SCc2ccc(C#N)cc2F)cc1 1307295966 YCLHKALQCZUMII-LBPRGKRZSA-N 301.386 4.700 30 20 DJED Cc1cc(C#N)ccc1CSCc1ccc2ncccc2c1 1321454687 UOXVVDOWQZMTOQ-UHFFFAOYSA-N 304.418 4.848 30 20 DJED CC(C)CCC(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C 1436482535 KNKOBKJKRSVPAK-RYUDHWBXSA-N 304.459 4.680 30 20 DJED CCCCc1ccc(CC(=O)O[C@H](C)c2cccc(C#N)c2)cc1 1457760888 QZKVRDNRDKWWRZ-MRXNPFEDSA-N 321.420 4.748 30 20 DJED CC(C)[C@H](CNc1nc(C#N)c(Cl)s1)c1ccccc1 1458092833 CCYCVAAYQJVNME-LBPRGKRZSA-N 305.834 4.520 30 20 DJED N#Cc1ccc(F)c(C(=O)N(c2ccccc2)C2CCCCC2)c1 1517866073 UKHWWFPRWRGCRG-UHFFFAOYSA-N 322.383 4.677 30 20 DJED C[C@@H](OC(=O)c1csc2ccccc12)c1ccc(C#N)cc1 1531747477 KQIGIYNVIZPEKX-GFCCVEGCSA-N 307.374 4.691 30 20 DJED N#CC1(CC(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)CCCCC1 1539325350 MATJCUJMTXRIKO-OALUTQOASA-N 324.468 4.693 30 20 DJED Cc1c(C(=O)Nc2cccc(CC#N)c2)sc2cccc(F)c12 1543579931 XIMCETBMPYNFAM-UHFFFAOYSA-N 324.380 4.667 30 20 DJED C[C@H](CC1CCCCC1)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 1584415346 QFRKHLHQMBCTEY-HZPDHXFCSA-N 312.457 4.684 30 20 DJED Cc1cc(Nc2ccc(C)c(OCCC(C)C)c2)ncc1C#N 1612017732 WZIUWZXCSJOIRR-UHFFFAOYSA-N 309.413 4.739 30 20 DJED CN(Cc1ccccc1Cl)c1nc(C(C)(C)C)ccc1C#N 1641953936 DAZBAOHIWVNVFT-UHFFFAOYSA-N 313.832 4.541 30 20 DJED N#Cc1nc(Nc2cccc(OC3CCCC3)c2)ccc1Cl 1651356961 OYDZUDNGADNEBW-UHFFFAOYSA-N 313.788 4.672 30 20 DJED CCc1ccc([C@@H]2C[C@@H](C)CCN2Cc2cccc(C#N)c2)o1 1653465822 NCKHXBZRUFERDG-KXBFYZLASA-N 308.425 4.687 30 20 DJED CC1(C)CCN(Cc2ccc(Cl)cc2C#N)CC(C)(C)C1 1655023322 FCAZXCYYYRIQPH-UHFFFAOYSA-N 304.865 4.860 30 20 DJED C[C@@H](Cc1coc2ccccc12)Nc1ccccc1O[C@H](C)C#N 1658577377 LWEFVTCGTQACCO-LSDHHAIUSA-N 320.392 4.767 30 20 DJED C[C@H]1CC(C)(C)CC[C@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 1672795040 WIZAKZNGUBFJAG-XHDPSFHLSA-N 319.836 4.548 30 20 DJED CC(C)CCOc1cccc(NC(=O)C2(C#N)CCCCC2)c1 64752431 AUDAEYVFAHEXCT-UHFFFAOYSA-N 314.429 4.524 30 20 DJED CCCOc1ccc(/C=C/C(=O)c2cc(F)ccc2F)cc1 83192817 YIAYMQYXQHHEGT-BJMVGYQFSA-N 302.320 4.650 30 20 DJED CC(C)(C#N)CCCOc1ccc(Cl)cc1Br 87608928 CGNWNOKGCLZSBI-UHFFFAOYSA-N 316.626 4.811 30 20 DJED CC(C)(CCC#N)CN1CCc2[nH]c3ccc(Cl)cc3c2C1 91953091 GJFAWAKHLKDPOL-UHFFFAOYSA-N 315.848 4.509 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc(N3CCCCC3)cc2)cc1 212530990 FEQDXGLRACGMRW-ZROIWOOFSA-N 305.421 4.881 30 20 DJED CC[C@@H](Nc1cccc(OCCCC#N)c1)c1ccsc1 294170351 CFLPOCDXEZMNAJ-QGZVFWFLSA-N 300.427 4.994 30 20 DJED N#Cc1cccc(C#N)c1Nc1cccc(CCC(F)(F)F)c1 302881051 ITELBSXXAHUPOI-UHFFFAOYSA-N 315.298 4.668 30 20 DJED C[C@@H]1C[C@H](c2ccc(F)cc2)CN1[C@H](C)c1ccc(C#N)cc1 303916079 VEZDINXVODKUML-CLCXKQKWSA-N 308.400 4.636 30 20 DJED N#Cc1cc(F)c(SCc2ccccc2)cc1Br 310706843 YWIMKPAYMDHZLM-UHFFFAOYSA-N 322.202 4.752 30 20 DJED C[C@@H](N[C@@H](CC(F)F)c1ccccc1)c1ccc(C#N)cc1F 421872461 GVRPYUPEGIGDIF-PXAZEXFGSA-N 318.342 4.744 30 20 DJED C=CCC[C@H](C(=O)Nc1cc(C)c(O)c(C)c1)c1ccccc1 427831558 XTWSHTANFWQVBG-SFHVURJKSA-N 309.409 4.698 30 20 DJED C[C@@H](CC1CCCCC1)C(=O)N[C@H](CCC#N)c1ccccc1 439657875 HUXOJJYBEGXKEH-QFBILLFUSA-N 312.457 4.754 30 20 DJED CN(C)c1cccc([C@@H]2CCCN2CCCCC(C)(C)C#N)c1 444635966 FHDARFCQYATLKC-IBGZPJMESA-N 313.489 4.610 30 20 DJED C[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@H](C)c1ccccc1C(F)(F)F 463241821 DLTNAFXYVNGIKF-ZQDZILKHSA-N 324.390 4.869 30 20 DJED CC#CCCCC(=O)Nc1ccccc1SC1CCCC1 464446374 BCXGIZRDIVYZNI-UHFFFAOYSA-N 301.455 4.853 30 20 DJED CCC1(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)CCCC1 465459402 UISDCJZUXUVPDF-UHFFFAOYSA-N 312.457 4.513 30 20 DJED C=CCCCCNC(=O)Nc1ccc(-c2csc(C)n2)cc1 473502452 JRXCOIFFIOLPFO-UHFFFAOYSA-N 315.442 4.596 30 20 DJED C[C@H](NC[C@@H]1CCSC1)c1ccc(-c2cccc(C#N)c2)cc1 487571580 INYKELJUYSWMMT-RDJZCZTQSA-N 322.477 4.629 30 20 DJED Cc1nc(Nc2ccc(CCC(F)(F)F)cc2)ccc1C#N 488131194 YHKQPXZWCWEXLN-UHFFFAOYSA-N 305.303 4.500 30 20 DJED C=CCN(Cc1ccccc1)C(=O)c1cc(SC)ccc1C 497805995 VRHFKHXLIRYHOV-UHFFFAOYSA-N 311.450 4.545 30 20 DJED CC[C@](C)(C#N)C(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 510018562 JWFXABBCCFUZTI-FOIQADDNSA-N 321.424 4.738 30 20 DJED Cc1sc(NC(=O)[C@H](C)CC2CCCCC2)c(C#N)c1C 510194951 CREPAXMTLZGATE-LLVKDONJSA-N 304.459 4.782 30 20 DJED C=CCN(Cc1cccs1)Cc1ccccc1OC(C)C 520629162 ZMSXYRLABWRKEW-UHFFFAOYSA-N 301.455 4.724 30 20 DJED CCc1ccc(NCc2cccc(OCCCC#N)c2)cc1C 539872611 IXIZEULPRRNDSC-UHFFFAOYSA-N 308.425 4.852 30 20 DJED CC[C@H](CC(=O)Nc1scc(C)c1C#N)c1ccc(C)cc1 565798661 IKLAYIMKUPFJDQ-CQSZACIVSA-N 312.438 4.759 30 20 DJED N#CCCCCCC(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 590888959 QIQGVFRTLOOHJY-RDJZCZTQSA-N 318.848 4.566 30 20 DJED C[C@@H](CC(=O)Nc1sc2c(c1C#N)CCC2)CC(C)(C)C 603825215 ASCXQSUEXBUTFS-NSHDSACASA-N 304.459 4.509 30 20 DJED Cc1ccc(CN(CCCC#N)[C@@H]2CCc3ccccc32)cc1 603895528 MCIDFLCWAHTDNJ-OAQYLSRUSA-N 304.437 4.788 30 20 DJED C=CCCCCCN(C)C(=O)c1ccc(CSCC)cc1 610051344 OWEUXQZCJXQIFU-UHFFFAOYSA-N 305.487 4.758 30 20 DJED Cc1cccc2c(N3CCc4sccc4[C@H]3C)c(C#N)cnc12 610514388 NDSAKTUGXYGTQT-CYBMUJFWSA-N 319.433 4.600 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C/c1ccccc1Br)C2 730948882 OCHACDPFKVQDGL-GXDHUFHOSA-N 313.194 4.580 30 20 DJED CCCCCCCCCN(C)C(=O)N[C@@H](C)c1c(C)noc1C 733803293 SEBNUMUBCUZDEP-AWEZNQCLSA-N 323.481 4.744 30 20 DJED CC(=NNc1ccc(C#N)cc1)c1ccc(SC(F)F)cc1 734980167 OHSAFMLSTDMLDF-UHFFFAOYSA-N 317.364 4.709 30 20 DJED C=CCCCCCN(C)C(=O)/C=C\c1nc2ccccc2s1 739654717 PZBIRMFURVXUHD-SEYXRHQNSA-N 314.454 4.514 30 20 DJED CCCCC[C@@H](NCc1ccc(OC)c(C#N)c1)c1ccccc1 742369703 OQMJTCLZSRCWMX-HXUWFJFHSA-N 322.452 4.978 30 20 DJED CCCCCCC[C@@H](C)CNC(=O)N(C)[C@H](C)c1cccnc1 744280011 AEZZFFBJKMENFM-IAGOWNOFSA-N 319.493 4.781 30 20 DJED CCn1nc(C)c(C(=O)/C=C\c2csc3ccccc23)c1C 750909501 MIZXRDDQSAKFHN-KTKRTIGZSA-N 310.422 4.631 30 20 DJED COc1ccsc1C(=O)/C=C\c1ccc(C(F)(F)F)s1 761486534 QCERPJRPICSJIZ-RQOWECAXSA-N 318.341 4.733 30 20 DJED CCCn1nc(C)c(/C=C2/C(=O)c3cccc4c3[C@H]2CCC4)c1C 763291061 UTQIAHHAWQSBHK-QUYZQLMHSA-N 320.436 4.610 30 20 DJED CCO[C@@H]1CCCC1=NNc1cc(C)c2cc(Cl)ccc2n1 766433029 XEAQXARVYDKBCT-MRXNPFEDSA-N 317.820 4.554 30 20 DJED O=C1/C(=C\c2cnc(C3CCC3)s2)CCc2ccc(F)cc21 776192990 ODIUJABYAHFEST-JYRVWZFOSA-N 313.397 4.762 30 20 DJED Cc1cccc([C@H](C)OC(=O)C[C@H](CC#N)c2ccccc2)c1 795982822 SUEJCIHJADAWCJ-LPHOPBHVSA-N 307.393 4.687 30 20 DJED Cc1nn(C(C)C)cc1/C=C\C(=O)c1cc2c(s1)CCCC2 798370638 SUPHOZJSIRQLJA-HJWRWDBZSA-N 314.454 4.609 30 20 DJED Cc1cc(C(=O)/C=C\c2cnc(-c3cccs3)s2)oc1C 799896213 HJIGPVIRQRLEPJ-WAYWQWQTSA-N 315.419 4.978 30 20 DJED Cc1cc(C(=O)/C=C/c2cnc(-c3ccccc3)s2)oc1C 799896557 IYIPFKYDJUJROY-CMDGGOBGSA-N 309.390 4.916 30 20 DJED CCOc1cc(/C=C/C(=O)c2cc(C)c(C)o2)cc(Cl)c1O 799897959 ULBJTNUEGYNRSG-AATRIKPKSA-N 320.772 4.550 30 20 DJED COc1ccc2c(c1F)C/C(=C/c1ccc(C(F)F)cc1)C2=O 809158315 ZWWQCCUTKRPVRZ-WQLSENKSSA-N 318.294 4.594 30 20 DJED C#C[C@H](NC1CCC(C(F)F)CC1)c1ccc(Cl)cc1F 809698231 CCHOITTZNFLFNM-QHAMSDLMSA-N 315.766 4.567 30 20 DJED O=C(/C=C\c1csc2ccccc12)c1ccc2c(c1)OCCO2 810198259 MNXBUEAAMYJGGK-ALCCZGGFSA-N 322.385 4.569 30 20 DJED Cc1cc(F)ccc1[C@H](C)NCc1ccc(C#N)c(Cl)c1 815623774 HGUCOCHFFWISRJ-LBPRGKRZSA-N 302.780 4.510 30 20 DJED CCOC1CCC(=NNc2nc(-c3ccccc3)cs2)CC1 853280483 KRMLYYVCTWVBRN-UHFFFAOYSA-N 315.442 4.557 30 20 DJED CC(=NNc1cccc(C(F)(F)F)c1)c1cc(C)ccc1O 916260017 MUSOICWDPWEZOC-UHFFFAOYSA-N 308.303 4.556 30 20 DJED CN(CCC#N)c1ccc(CNc2ccc(C(F)F)cc2)cc1 922899151 MGIXIYHXNWFGMP-UHFFFAOYSA-N 315.367 4.586 30 20 DJED CC(C)N(CCc1ccccc1)Cc1ccc(C#N)cc1Cl 1167219337 ZZULIEJSPRLSBF-UHFFFAOYSA-N 312.844 4.665 30 20 DJED CCCC[C@@H](C(=O)Nc1cc(C#N)cn1C(C)(C)C)C(C)C 1264743397 FCBOPVBKUNGTSP-OAHLLOKOSA-N 303.450 4.516 30 20 DJED CCC[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C1CCCC1 1275595829 HUZSXMQFDBNGOK-GOSISDBHSA-N 312.457 4.576 30 20 DJED C[C@H](Nc1nc(C2CCCCC2)ns1)c1ccc(C#N)cc1 1306944769 TXQJFHBIKLQLTE-LBPRGKRZSA-N 312.442 4.631 30 20 DJED Cc1cccc(CN(C)Cc2ccccc2C(C)(C)C#N)c1C 1307791272 GGCUKCVHXRNYET-UHFFFAOYSA-N 306.453 4.737 30 20 DJED Cc1cc(CNc2cccc(OCCC(C)C)c2)ccc1C#N 1308227837 UHXRVIRZTVVLIE-UHFFFAOYSA-N 308.425 4.904 30 20 DJED C[C@H](/N=C\c1cc(Cl)ccc1O)c1nc(C(C)(C)C)cs1 1318332962 GNRPHIKLXNRYET-JYUGDQOLSA-N 322.861 4.980 30 20 DJED Cc1cccc(-c2cccc(C(=O)Nc3sccc3C#N)c2)c1 1349090121 NCMZQMBXZSCLGQ-UHFFFAOYSA-N 318.401 4.848 30 20 DJED Cc1ccc(C[C@H]2CCCN(Cc3ccc(CC#N)cc3)C2)cc1 1473135531 RPCMQIQQESKPAW-JOCHJYFZSA-N 318.464 4.516 30 20 DJED Cc1c(C)c(C)c(CN(CCC#N)Cc2ccco2)c(C)c1C 1473203489 OKJVVYXTPBXUPY-UHFFFAOYSA-N 310.441 4.738 30 20 DJED C[C@H]1Cc2c(sc(NC(=O)C3(F)CCCC3)c2C#N)[C@H](C)C1 1588271196 QBJRNDGDBRANOV-GHMZBOCLSA-N 320.433 4.526 30 20 DJED Cc1cc(F)ccc1N(C/C=C/Cl)Cc1cccc(C#N)c1 1616019223 CTSZMDWSUDBWNH-FPYGCLRLSA-N 314.791 4.765 30 20 DJED N#Cc1ccc(CN2CCCCc3sccc32)c(Cl)c1 1642902975 RCQRHPPJYHKHIO-UHFFFAOYSA-N 302.830 4.616 30 20 DJED C[C@@H]1C[C@@H]1[C@@H](NCCc1ccc(C#N)cc1)c1ccc(Cl)cc1 1645044419 KHLWEPQDTKIQOE-UAOJZALGSA-N 324.855 4.741 30 20 DJED C[C@@H](NCCc1cccc(Cl)c1Cl)c1cccc(C#N)c1 1648287218 UBPANGFZDKLRCD-GFCCVEGCSA-N 319.235 4.758 30 20 DJED N#Cc1c(F)cccc1Nc1cccc(CCC(F)(F)F)c1 1651636127 HRJOHOMBDSFKMG-UHFFFAOYSA-N 308.278 4.936 30 20 DJED Cc1ccc([C@@H]2CCN(Cc3ccc(C#N)cc3Cl)C2)c(C)c1 1653511409 XGAQSUIXVXLSAY-QGZVFWFLSA-N 324.855 4.818 30 20 DJED CC(C)(C)c1ccc(C2CCN(c3cccc(C#N)n3)CC2)cc1 1655496858 UBRIJMGKNUQOBR-UHFFFAOYSA-N 319.452 4.635 30 20 DJED COc1cc(-c2ccccc2)ccc1CNc1cccc(C#N)c1 1657019765 MINNAAPWLHGOOR-UHFFFAOYSA-N 314.388 4.846 30 20 DJED C=C(Cl)CNC(=O)NC(C1CCCCC1)C1CCCCC1 1684924058 MQTJDZVDHOLVAA-UHFFFAOYSA-N 312.885 4.567 30 20 DJED O=C(O)c1cccc(NN=C2CC=C(c3ccc(F)cc3)CC2)c1 1776037097 VJKGYGCBTIHTBC-UHFFFAOYSA-N 324.355 4.559 30 20 DJED Cc1ccc(C(=O)/C=C/c2csc3ccc(C(=O)O)cc23)cc1 1776114153 HQSLIHMETYARSG-SOFGYWHQSA-N 322.385 4.804 30 20 DJED CCc1c(C(=O)/C=C/c2ccc(OC)c(O)c2)oc2ccccc12 7716411 HOKCIIWKKFYSGZ-CSKARUKUSA-N 322.360 4.606 30 20 DJED C#Cc1cccc(NC(=O)CSc2ccc3ccccc3c2)c1 23359600 RWQMQJNLTUMVNX-UHFFFAOYSA-N 317.413 4.552 30 20 DJED N#Cc1ccc(Cl)cc1NCc1ccccc1C(F)(F)F 36954244 WXLHLZOYCCXMGZ-UHFFFAOYSA-N 310.706 4.843 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1c(C)cc(C)cc1C 43150034 KWHNCVHDASJEFJ-UHFFFAOYSA-N 308.425 4.832 30 20 DJED Cc1ccc(-c2ncc(/C=C/C(=O)c3cncc(F)c3)s2)cc1 78023104 OHHNJERBHNVYLS-VOTSOKGWSA-N 324.380 4.549 30 20 DJED C=CCOCCCC(=O)Nc1cccc(CSC(C)C)c1C 80490980 ITPCUACWDMGTDK-UHFFFAOYSA-N 321.486 4.558 30 20 DJED C[C@@H](NCc1ncc(-c2ccccc2)s1)c1ccc(C#N)cc1 92367793 VAFRFVLKIRQLPA-CQSZACIVSA-N 319.433 4.533 30 20 DJED CSc1ccc(C(=O)/C=C/c2ccc(O[C@@H](C)C#N)cc2)cc1 103250290 TUVFOGQFJIQBSN-CLUXPMKYSA-N 323.417 4.595 30 20 DJED Cc1cccc(NC(=O)[C@@H](C)S[C@H](C)c2ccc(C#N)cc2)c1 118444695 FKIZJPZBUKZXRQ-HUUCEWRRSA-N 324.449 4.688 30 20 DJED CC(C)(C)c1ccc(/C=C\C(=O)c2ccc(OCC#N)cc2)cc1 213641564 GNUZRXHBOHFWMM-MLPAPPSSSA-N 319.404 4.783 30 20 DJED CCCCCN(Cc1ccc(F)cc1)C(=O)c1ccc(C#N)cc1 301749626 OPRDWZVVHZKYAI-UHFFFAOYSA-N 324.399 4.530 30 20 DJED N#Cc1ccc(Br)cc1OCC1CCCCCC1 302479901 YOGVXBLZRHRVKI-UHFFFAOYSA-N 308.219 4.670 30 20 DJED CC(C)Oc1ccccc1[C@H](C)N[C@H](C)c1cccc(C#N)c1 320238731 WCGDQPWRIPLBMH-CVEARBPZSA-N 308.425 4.757 30 20 DJED CC(C)c1ccc(/C(O)=N/C2CCC(C(=N)O)CC2)cc1Cl 330938414 BVSVXDJQUWDKRD-UHFFFAOYSA-N 322.836 4.862 30 20 DJED C=C(C)CN(CC)C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl 430179622 QXMDLTJYHXIKJQ-NSHDSACASA-N 315.244 4.662 30 20 DJED Cc1cc2c(SCCCCC(C)(C)C#N)ncnc2s1 435892257 JXEHXRQTIRZPKH-UHFFFAOYSA-N 305.472 4.812 30 20 DJED C=CCC[C@H](C(=O)Nc1scnc1C(C)C)c1ccccc1 456445817 ZHAAYFUOLSCPJJ-HNNXBMFYSA-N 314.454 4.955 30 20 DJED C=CCC[C@@H](C(=O)Nc1scnc1C(C)C)c1ccccc1 456445818 ZHAAYFUOLSCPJJ-OAHLLOKOSA-N 314.454 4.955 30 20 DJED C=C(CN[C@H]1CCC[C@@H](c2ncccc2C)C1)c1ccccc1 467338471 ZSBNOHHAFWOMKV-UXHICEINSA-N 306.453 4.719 30 20 DJED N#CCc1ccc(NCc2ccc(Sc3ccccn3)o2)cc1 468073964 FIAUZFCDAIFKKK-UHFFFAOYSA-N 321.405 4.504 30 20 DJED CC[C@@H]1CN(C(=O)C2(C#N)CCCCC2)CC[C@H]1c1ccccc1 470193634 KPSBORLTTPKVCU-IEBWSBKVSA-N 324.468 4.503 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cc2cccc(F)c2o1 474102593 BLHJKKNBOGQMBE-OLZOCXBDSA-N 308.356 4.855 30 20 DJED CCCCCN(C(=O)Nc1ccc(CC#N)cc1)[C@H](C)CCC 475644112 KSGXXYNOPCMWDH-MRXNPFEDSA-N 315.461 4.965 30 20 DJED Cc1cccc(Cl)c1NC(=O)C[C@H](CC#N)c1ccccc1 476226164 VKLQGCOPQUFDFN-HNNXBMFYSA-N 312.800 4.675 30 20 DJED N#CCCCOc1cccc(NCc2cc3ccc(F)cc3[nH]2)c1 486713237 WGXRGEFIHKRWMV-UHFFFAOYSA-N 323.371 4.602 30 20 DJED C=CCC(C)(C)CNC(=O)CCC(=O)c1ccc2ccccc2c1 489863157 YXCHHOXPRVQFRL-UHFFFAOYSA-N 323.436 4.521 30 20 DJED C=CCC(C)(C)C(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 500588437 PGWZFMZKJHVDJH-UHFFFAOYSA-N 319.395 4.573 30 20 DJED C=C(C)CN(CC)C(=O)[C@H](C)S[C@@H](C)CCc1ccccc1 515783007 QCUBTNUQXOEIHK-IRXDYDNUSA-N 319.514 4.554 30 20 DJED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CC2CCCCC2)cc1 518710293 WPIQHSPDALLEJY-GOSISDBHSA-N 312.457 4.635 30 20 DJED C=CCCC[C@@H](C)NC(=O)N(CC)[C@H](C)c1cccc(OC)c1 537274112 VWOLJTAKPALZCN-HZPDHXFCSA-N 318.461 4.533 30 20 DJED Cc1cc(C)c([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1C 551564856 QHVJMOOSRZVFCN-KRWDZBQOSA-N 304.437 4.823 30 20 DJED CC(C)(C#N)CCN[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 580228424 CVBOUJXKBOTBLT-GFCCVEGCSA-N 322.733 4.612 30 20 DJED N#CCCCCCC(=O)Nc1sc(-c2ccccc2)cc1C#N 588886270 MMIUYYURAVCUSI-UHFFFAOYSA-N 323.421 4.699 30 20 DJED COc1ccc2oc([C@H](C)N[C@H](C#N)c3ccccc3)c(C)c2c1 595429115 LRDJXGZJGQZADY-KBXCAEBGSA-N 320.392 4.665 30 20 DJED C=CCN(C(=O)c1ccc(CSCC)cc1)c1ccccc1 603954016 VCCNGCJOMVEWMY-UHFFFAOYSA-N 311.450 4.773 30 20 DJED CC(C)Oc1ccccc1[C@H](C)N[C@@H](C#N)C1CCCCC1 609676846 BFHMQHQUFSALGV-YJBOKZPZSA-N 300.446 4.597 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(Cl)cc1Cl 618742534 ZEVQLCOSJGKTKS-KRWDZBQOSA-N 317.219 4.642 30 20 DJED C[C@H](NCCCC(F)(F)F)c1ccc(F)cc1C(F)(F)F 623901636 NVXOQBAHKPPYJT-QMMMGPOBSA-N 317.248 4.838 30 20 DJED C=CCOc1ccc(C(=O)Nc2cc(C)c(F)cc2Cl)cc1 685093125 ZRDQYUAOFJOITM-UHFFFAOYSA-N 319.763 4.605 30 20 DJED C#Cc1cccc(NC(=S)N(CC(C)C)c2ccccc2)c1 726484130 FAKHAQFNJVHHOC-UHFFFAOYSA-N 308.450 4.527 30 20 DJED Cc1cc(F)ccc1C(=O)/C=C\c1ccc(OC(F)F)cc1 731318206 HFJKYSCMEBPABF-WTKPLQERSA-N 306.283 4.632 30 20 DJED C=CC[C@@H](NC(=O)N[C@H](CCC)c1ccccc1)c1ccncc1 734653807 KNBAXMBJDVVMTK-RTBURBONSA-N 323.440 4.539 30 20 DJED CCOc1ccc(Cl)cc1C(=O)/C=C\c1cccnc1Cl 735979015 UCWWLUJLFDUDRG-ALCCZGGFSA-N 322.191 4.683 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(C#N)s2)c2ccccc12 762447455 QERQSCOXPDRMFW-RMKNXTFCSA-N 319.385 4.678 30 20 DJED CCC(=NNc1nccnc1C(C)C)c1ccc(Cl)s1 773089961 CMRDNKWAOAFSNI-UHFFFAOYSA-N 308.838 4.541 30 20 DJED C[C@@H](Nc1ccc(OC(F)F)c(F)c1)c1ccc(C#N)c(F)c1 776852444 IAJLLISAJJSHNO-SECBINFHSA-N 324.277 4.611 30 20 DJED CC(C)c1nc(C#N)c(NN=C[C@@H](c2ccccc2)C(C)C)o1 794503524 ZNHMINBEIZKOBN-OAHLLOKOSA-N 310.401 4.507 30 20 DJED CC[C@@H](C)CCC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 796812648 UAIBIQHXVXOYLH-ZYHUDNBSSA-N 320.845 4.952 30 20 DJED CC(C)(C)CCCCC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842947123 YKUZLLXXXUNSJK-ZDUSSCGKSA-N 304.459 4.803 30 20 DJED FC(F)(F)[C@H]1CCC[C@H](C=NNc2cccc(Cl)n2)C1 853350330 QTLHBXOCXKMXQU-UWVGGRQHSA-N 305.731 4.501 30 20 DJED CC[C@H](N[C@H](C)c1cccc(C#N)c1)c1cc(F)ccc1OC 903371418 SKVULVMRCLYZIH-ACJLOTCBSA-N 312.388 4.508 30 20 DJED CCN(CC)c1ccc(/C=C\C(=O)c2ccc(F)cc2F)cc1 916127572 KIKKMZQRLOAKPH-GHXNOFRVSA-N 315.363 4.707 30 20 DJED CCCCn1nc(C)c(/C=C/C(=O)c2ccc(C)cc2)c1Cl 916134253 AREPWYPLVVCHAZ-ZHACJKMWSA-N 316.832 4.850 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCCCc2sccc21 1169800021 HFKQILHVJNSJBO-UHFFFAOYSA-N 302.830 4.616 30 20 DJED N#Cc1ccc(OCc2cc(Cl)sc2Cl)c(F)c1 1188960883 OPQQIIXLUHYFCI-UHFFFAOYSA-N 302.157 4.645 30 20 DJED CCN(Cc1ccc2ccccc2c1)[C@H](C#N)c1ccccc1 1190520179 RHBJRMMINKSDGJ-OAQYLSRUSA-N 300.405 4.927 30 20 DJED CC[C@H]1CCC[C@@H]1NC(=O)Nc1scc(C(C)(C)C)c1C#N 1218513458 FPIBRWAECDOJBF-FZMZJTMJSA-N 319.474 4.617 30 20 DJED Cc1ccc(C)c(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 1307487938 UQWZBWGTEKTDAE-LEWJYISDSA-N 304.437 4.575 30 20 DJED CCCCCC[C@](C)(CC)C(=O)Nc1ccc(OCC#N)cc1 1318723741 QWCYEUGAUQJRKR-IBGZPJMESA-N 316.445 4.914 30 20 DJED Cc1c(-c2nnc(C3CCCC3)o2)sc2ccc(C#N)cc12 1333111829 QGXHSUWCNXAMDG-UHFFFAOYSA-N 309.394 4.789 30 20 DJED CCC[C@H](CNc1ccc(Oc2ccccc2)c(C#N)c1)OC 1462130334 XYTYDXZWCLKATC-GOSISDBHSA-N 310.397 4.578 30 20 DJED C[C@@H]1CC[C@@H](C)N(Cc2ccc(-c3ccccc3C#N)cc2)C1 1559560463 LTLRJXCJEQFDFH-IAGOWNOFSA-N 304.437 4.846 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C/C=C\c1ccc(F)c(F)c1 1560897651 IJRJDIIOCOZPEF-SDQPKGBYSA-N 312.363 4.543 30 20 DJED C[C@@H](CCC(C)(C)C)C(=O)N(c1ccc(C#N)cc1)C1CCC1 1586911723 KJBSGTCDKVHTOV-HNNXBMFYSA-N 312.457 4.906 30 20 DJED CC(C)CCN(C)CCC(C#N)(c1ccccc1)c1ccccc1 1615214846 KXPYWTQBZYAYSJ-UHFFFAOYSA-N 320.480 4.864 30 20 DJED CC[C@H](C)c1ccc([C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)C)cc1 1623977075 KHIXWCUYJJGROH-IFXJQAMLSA-N 323.440 4.527 30 20 DJED C[C@H](Sc1cncc(C#N)n1)c1ccc(Cl)c(Cl)c1 1642317808 ZSJPXYROSQOEQW-QMMMGPOBSA-N 310.209 4.508 30 20 DJED COc1cccc([C@@H](C)SCc2cc(C#N)ccc2F)c1 1643774925 CLQYVKYVZAODGN-GFCCVEGCSA-N 301.386 4.700 30 20 DJED COc1ccc([C@@H](C)CN(CC(C)C)c2ccc(C#N)cc2)cc1 1644855935 QRNDCDZXYLUSLE-KRWDZBQOSA-N 322.452 4.833 30 20 DJED Cc1nsc(N2C[C@H](c3ccccc3)c3ccccc32)c1C#N 1651804440 ZBGOAXDGAPIZQN-QGZVFWFLSA-N 317.417 4.607 30 20 DJED CCN(Cc1ccc2occc2c1)[C@H](C)c1ccc(C#N)cc1 1651932571 SARFMBOBIAXEOK-OAHLLOKOSA-N 304.393 4.888 30 20 DJED CCC[C@H]1CCCC[C@@H]1CNc1nc(C)c(C#N)cc1Cl 1651945541 FJMBBYBVVJVJRX-UONOGXRCSA-N 305.853 4.934 30 20 DJED N#Cc1ccc(NCC2(c3cccc(Cl)c3)CCCC2)nc1 1655024471 HJXWGLFQRYVAEX-UHFFFAOYSA-N 311.816 4.531 30 20 DJED CCC(CC)[C@@H](NCc1ccc(C#N)c(OC)c1)c1ccccc1 1656155382 MOLYKPNOIBJXRY-OAQYLSRUSA-N 322.452 4.834 30 20 DJED C[C@@H](CCC#N)CN1CCc2c(Cl)cc(Cl)cc2[C@@H]1C 1663672059 MINFWVAYLRNSQW-RYUDHWBXSA-N 311.256 4.852 30 20 DJED N#Cc1ccc(CN[C@@H]2CCC[C@@H]2c2ccccc2)cc1Cl 1664435788 VTUXHSANFRGSPI-IEBWSBKVSA-N 310.828 4.638 30 20 DJED Cc1c(NN=C2C[C@H](C)CC[C@H]2C(C)C)cccc1C(=O)O 1776086467 WBLFWHTZAMQZLZ-OCCSQVGLSA-N 302.418 4.553 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1ccccc1C1CC1 1776787178 ZFTXXBLQLOONBW-GOSISDBHSA-N 317.473 4.857 30 20 DJED C[C@@H](c1cccc(Cl)c1)N(C)Cc1cc(C#N)ccc1F 58000615 CVJCDNIMTOQJNJ-LBPRGKRZSA-N 302.780 4.544 30 20 DJED Cc1ccccc1NC(=O)[C@H](C)S[C@@H](C)c1ccc(C#N)cc1 118444955 SHNKMGOADBZWEN-GJZGRUSLSA-N 324.449 4.688 30 20 DJED N#Cc1ccc(F)cc1CSC1=Nc2ccccc2CS1 130351505 PXDKWGRZMMKZRR-UHFFFAOYSA-N 314.410 4.865 30 20 DJED CCc1cc(C#N)c(NC(=O)[C@@H](C)c2cc3ccccc3o2)s1 177588451 GMTZNUDSGRKFFB-NSHDSACASA-N 324.405 4.671 30 20 DJED CCCC[C@H](CC)CC(=O)Nc1ccccc1O[C@H](C)C#N 182036127 HZAVHGIISMHNTI-CABCVRRESA-N 302.418 4.522 30 20 DJED CCOc1cccc2cc([C@H](C)N[C@@H]3CCC[C@@H](C#N)C3)oc12 248826205 LYIVWRVSICIOGO-SQWLQELKSA-N 312.413 4.564 30 20 DJED CC[C@@H](SCCCC1(C#N)CCOCC1)c1ccccc1 281083352 WRQLMDGROABPNQ-QGZVFWFLSA-N 303.471 4.971 30 20 DJED Cc1nc(CC2CC2)oc1/C(O)=N/[C@@H]1CC(C)(C)c2ccccc21 329991505 ADNYMNVPIFFXAN-MRXNPFEDSA-N 324.424 4.663 30 20 DJED C=CCC[C@@H](NCC1(C#N)CC1)c1ccc(C(F)(F)F)cc1 343586162 PKEQCCQEVZTNNP-OAHLLOKOSA-N 308.347 4.606 30 20 DJED CC(C)(C#N)CCOc1ccc(Oc2ccc(C#N)cc2)cc1 410315664 JSCKRBOFDVQOAE-UHFFFAOYSA-N 306.365 4.669 30 20 DJED C=CCC[C@@H](NC(=O)N(C)CC1CCCC1)c1ccccc1 435096289 MEJDRLXGXHBBFC-GOSISDBHSA-N 300.446 4.526 30 20 DJED C=C(C)[C@@H](NC1CCC(C(F)F)CC1)c1ccc(F)c(F)c1 442847694 QWHWZMVQMUFDIP-IJGSQOGDSA-N 315.354 4.996 30 20 DJED CC[C@@H](c1ccccc1)N(CC)C(=O)[C@H](C)c1cccc(C#N)c1 461991206 PPLBVOIFVZZIDD-UZLBHIALSA-N 320.436 4.662 30 20 DJED C=CCCN[C@H](c1ccccc1Cl)c1ccccc1OC 462234570 HAXZKGGDNDWGPC-GOSISDBHSA-N 301.817 4.604 30 20 DJED N#CCCCC(=O)Nc1ccccc1Oc1ccccc1Cl 463284599 HWIROCWUKWUNHY-UHFFFAOYSA-N 314.772 4.765 30 20 DJED N#CCCCOc1cccc(CNCCC2=CCCCCC2)c1 463696725 FBSYDXIOJXNLFE-UHFFFAOYSA-N 312.457 4.739 30 20 DJED CC(C)(CCC#N)CN1CCC(F)(c2cccc(Cl)c2)CC1 467550278 IPXZLHYVAZGUOC-UHFFFAOYSA-N 322.855 4.931 30 20 DJED C=CCCC[C@@H](C)NC(=O)c1ccc(Cl)cc1C(F)(F)F 472396751 LXZXSNIQKMQTHM-SNVBAGLBSA-N 319.754 4.833 30 20 DJED CC(C)(C#N)c1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 474408106 AYRYEPXPMQPZHQ-HHXXYDBFSA-N 324.468 4.576 30 20 DJED CCC[C@H](C)CC(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 486566749 OZNCKZTWGODRFW-CCLIWJKGSA-N 316.489 4.524 30 20 DJED CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(C#N)s1 487200032 OWXUNFXOFHJBDK-UHFFFAOYSA-N 318.829 4.650 30 20 DJED C=CC[C@@H](C(=O)N1CC[C@H](c2cccc(F)c2)C1)c1ccccc1 488319191 YMTALIIBXOMJTG-AZUAARDMSA-N 323.411 4.502 30 20 DJED CC(C)OC[C@@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 500450445 GUUUTDVCCCSFMY-IAGOWNOFSA-N 322.452 4.689 30 20 DJED C[C@@H](NC[C@H](c1ccccc1)C1CC1)c1ccc(C#N)cc1F 517722273 YVGNYVXEIYSCSH-AUUYWEPGSA-N 308.400 4.542 30 20 DJED C[C@@H](NCc1ccc(OC2CCCC2)cc1)c1ccc(C#N)cc1 556295261 BKHAKFLSLYLEKS-MRXNPFEDSA-N 320.436 4.730 30 20 DJED C=C[C@@](C)(CC)C(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 557932146 ZETABMZNHZVTMW-QRWLVFNGSA-N 324.424 4.653 30 20 DJED C=CCC[C@@H](NCCc1nc(C(C)(C)C)cs1)c1ccco1 560530587 RYMBCCMDMOXPBV-CQSZACIVSA-N 318.486 4.873 30 20 DJED Cc1ccsc1[C@H](Cc1ccccc1)Nc1cc(C#N)ccn1 561225844 SOZGBNFJSJEMCT-KRWDZBQOSA-N 319.433 4.719 30 20 DJED N#CC1(CC(=O)N2CCC[C@H]2/C=C\c2ccccc2)CCCCC1 597489503 SCPVKSCBHAACMM-JZHDPFOFSA-N 322.452 4.555 30 20 DJED Cc1ccc(-c2ccc(CN[C@H](C)c3ccc(C#N)cc3)o2)cc1 603633323 ZKGBPXCBCZUMBP-MRXNPFEDSA-N 316.404 4.978 30 20 DJED Cc1cccc2c1CC[C@@H]2N[C@@H]1CCCc2cc(C#N)ccc21 611394104 GVGLQEIJHSYLJE-RTWAWAEBSA-N 302.421 4.521 30 20 DJED CC(C)(C#N)CCN1CCC[C@@H]1c1ccccc1Br 611462716 ZCNZKXCXARKJKU-OAHLLOKOSA-N 321.262 4.526 30 20 DJED CCC(=O)c1cc(Cl)ccc1OCc1cc(C#N)ccc1F 641881980 JSWLVRPLLXNGCU-UHFFFAOYSA-N 317.747 4.522 30 20 DJED CC(=NNc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1O 727650272 ILOCWMGSIYCZBS-UHFFFAOYSA-N 313.159 4.674 30 20 DJED CCc1cccc2c(/C=C\C(=O)c3ccc(O)c(C)c3)c[nH]c12 728231990 PMBXKMIFZUPUSW-NTMALXAHSA-N 305.377 4.640 30 20 DJED CCC(CSc1ccc(Cl)cc1)=NOCc1cccnc1 746577293 QALJITHNTWYIGU-UHFFFAOYSA-N 320.845 4.810 30 20 DJED O=C(/C=C\c1csc(-c2cccs2)n1)c1sccc1O 771746086 VXKSAQZLCXNBDZ-ARJAWSKDSA-N 319.432 4.535 30 20 DJED C=CCCC[C@H](C)NC(=S)Nc1c(C)cc(C)cc1Cl 776205775 YXBPXASPIAKVDM-ZDUSSCGKSA-N 310.894 4.988 30 20 DJED CCCCCCCCNC(=O)N1CC(C)(C)[C@@H]1c1ccncc1 814315288 SQJACLPMROGLFZ-KRWDZBQOSA-N 317.477 4.535 30 20 DJED CCCCCCCCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F 890494431 YOYJHNLZSQDIMO-UHFFFAOYSA-N 314.332 4.562 30 20 DJED N#Cc1csc(CN[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)c1 1178971990 NKTPSKUDRUHANV-GOEBONIOSA-N 316.857 4.699 30 20 DJED Cc1cc(CN2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)ccc1C#N 1181598171 DIHUHOYDBUWOPR-YPAWHYETSA-N 316.448 4.635 30 20 DJED CCC(C#N)(CC)C(=O)O[C@H](C)c1ccc(OCC(C)C)cc1 1265612489 RIOKBZVRENHEGS-OAHLLOKOSA-N 317.429 4.656 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@@H]1[C@H](C)c1ccccc1 1308100146 WMNKEZFBSWDASJ-DYESRHJHSA-N 304.437 4.635 30 20 DJED CCn1c2ccccc2c2cc(CN(C)CCCCC#N)ccc21 1318220077 DGNXSYACLNRDRD-UHFFFAOYSA-N 319.452 4.940 30 20 DJED CCCCCC[C@H](C)c1nnc(COc2ccccc2C#N)o1 1322088345 PJFAPPOSSHXUGP-AWEZNQCLSA-N 313.401 4.594 30 20 DJED CC(C)[C@@H]1C[C@H](Nc2ccc(OCC#N)cc2)c2ccccc21 1343910855 BSEQWBRCVFWSPQ-PMACEKPBSA-N 306.409 4.885 30 20 DJED CC[C@H](C#N)[C@@H](OC(=O)[C@@H](C)c1ccc(C)o1)c1cccs1 1346398998 DYGKQEFAAQAKAA-WOSRLPQWSA-N 317.410 4.587 30 20 DJED CC(C)c1ccc(C(=O)Nc2cc(C#N)ccc2F)cc1Cl 1436644572 PSXCFDZHFPQURO-UHFFFAOYSA-N 316.763 4.726 30 20 DJED C[C@@H]1CCCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 1476646433 LYWCUARFDPZOBM-GFCCVEGCSA-N 319.474 4.571 30 20 DJED CC(C)C(C)(C)C(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@@H](C)CC2 1527539705 ORCAWKAEXQQDPY-RYUDHWBXSA-N 318.486 4.926 30 20 DJED CCC[C@@H]1CCC[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 1530388317 LOKOUKSKRYZIHY-CHWSQXEVSA-N 316.470 4.653 30 20 DJED N#Cc1c(Cl)nsc1N[C@@H]1CCCc2ccc(Cl)cc21 1559250056 QYNVIOIHRXEGEG-GFCCVEGCSA-N 324.236 4.811 30 20 DJED C[C@H](NCc1cc(Cl)ccc1OCC#N)C1CCCCCC1 1559737087 GCKBCJMBCOIVIG-AWEZNQCLSA-N 320.864 4.691 30 20 DJED C[C@H](CC#N)N(C)C/C=C\c1ccc(OCc2ccccc2)cc1 1560657225 GHLJIJWBEOUUFQ-OTIVFRFGSA-N 320.436 4.513 30 20 DJED CC(C)CCN(CCC#N)C(=O)C1CC(C)(C)CC(C)(C)C1 1585356241 ZAEPGWCTQHLFFS-UHFFFAOYSA-N 306.494 4.627 30 20 DJED Cc1cc(N[C@@H](c2ccccc2F)C2CCCC2)ncc1C#N 1655243423 SRFJNYPJDJTRDO-LJQANCHMSA-N 309.388 4.744 30 20 DJED Cc1cc(Br)cc(NCc2ccc(C#N)c(C)c2)c1 1662252468 VZPYDTBZGYSQRX-UHFFFAOYSA-N 315.214 4.550 30 20 DJED C[C@@H]1CCC[C@@H](Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 1662563737 RWWCLNZHYWRXPP-GDBMZVCRSA-N 307.397 4.736 30 20 DJED N#Cc1c(F)cccc1N[C@H]1CCSc2ccc(Cl)cc21 37268924 BPZFCBODNZLQEX-HNNXBMFYSA-N 318.804 5.000 30 20 DJED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(C)c1C 56528972 IRZGHTKIGUGAPT-UHFFFAOYSA-N 324.424 4.532 30 20 DJED Cc1cc(C#N)ccc1Oc1nc(C(F)F)nc2ccccc12 66466177 OPLIPHIYSYTQLR-UHFFFAOYSA-N 311.291 4.540 30 20 DJED N#Cc1ccc(N2CCC[C@H]2c2nc3ccccc3s2)c(F)c1 68658047 KLTGBBOKIVVWET-INIZCTEOSA-N 323.396 4.649 30 20 DJED COc1cccc2cc(/C=C3/Cc4c(Cl)cccc4C3=O)oc12 72042119 JAEWEZBNMQSFNP-XFXZXTDPSA-N 324.763 4.917 30 20 DJED N#Cc1ccc(CNc2ccc(SC(F)F)cc2)c(F)c1 73479744 BWWNYUQBIHDXKK-UHFFFAOYSA-N 308.328 4.624 30 20 DJED C=CCN(C(=O)c1csc(-c2ccccc2)n1)c1ccccc1 73982181 LGAXRDSNOVAPSL-UHFFFAOYSA-N 320.417 4.643 30 20 DJED CC[C@@H](C)n1c(SCCCCC#N)nnc1-c1ccccc1 122543647 IPBWCHYXNACAIL-CQSZACIVSA-N 314.458 4.702 30 20 DJED CC[C@@H](NCc1ccc(C#N)c(F)c1)c1cccc(Cl)c1 192149831 ZTNUCBFAANAHIU-QGZVFWFLSA-N 302.780 4.592 30 20 DJED CC(C)Oc1ccc(C(=O)/C=C\c2cccc(F)c2F)cc1 209918607 OVQDIQYZEWMPHC-FLIBITNWSA-N 302.320 4.648 30 20 DJED CC(C)(CNCc1ccc(C#N)o1)c1c(Cl)cccc1Cl 236733791 KRLMIBJXFQFVHL-UHFFFAOYSA-N 323.223 4.525 30 20 DJED CCCNc1ccccc1NC(=O)c1ccc(C(C)(C)C#N)cc1 281185487 MDGPCVLBYIXLND-UHFFFAOYSA-N 321.424 4.562 30 20 DJED Cc1c([C@H](/N=C(/O)C[C@@H]2CCOC2)C(C)C)oc2ccccc12 329791802 UTTLVAPBPGYWEU-KBXCAEBGSA-N 315.413 4.821 30 20 DJED C[C@H](NCC1(CC#N)CC1)c1ccc(Oc2ccccc2)cc1 430733232 DZLGSWQUKRSHON-INIZCTEOSA-N 306.409 4.823 30 20 DJED C=CCC(C)(C)CNC(=O)Nc1cccc(-c2nccs2)c1 432912995 YKHVCTFFYRSZJT-UHFFFAOYSA-N 315.442 4.534 30 20 DJED N#Cc1ccccc1SCCCSc1ccccc1C#N 439706903 IOYBIKILKDZHOL-UHFFFAOYSA-N 310.447 4.704 30 20 DJED CC(C)(CCC#N)CN[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 449330420 LCSJBXFUUJWEIE-NVXWUHKLSA-N 304.865 4.896 30 20 DJED C=CCCCCNC(=O)Nc1ccc(CCC(F)(F)F)cc1 473691940 HWXBMAVNQMERIJ-UHFFFAOYSA-N 314.351 4.659 30 20 DJED C=CCC(C)(C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 501209511 NBMCRIKEILDOLQ-UHFFFAOYSA-N 305.849 4.648 30 20 DJED C[C@@H]1C[C@@H]1[C@@H](NCc1ccccc1C#N)c1ccc(Cl)cc1 540523676 WYXCRKPELSMHCE-VMDGZTHMSA-N 310.828 4.699 30 20 DJED C=CCN(Cc1ccc(Cl)s1)Cc1nc(C2CC2)cs1 542209293 BKIBFKNGJVZDQN-UHFFFAOYSA-N 324.902 4.924 30 20 DJED C[C@@H](Oc1ccccc1NCCCC(C)(C)C#N)C(F)(F)F 565414532 SYAMPOQSSNACBD-GFCCVEGCSA-N 314.351 4.758 30 20 DJED CC(C)(C)[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 568334033 QIPWJWAMTQQWIZ-WOJBJXKFSA-N 304.437 4.923 30 20 DJED C=CCN(Cc1ccc(Cl)s1)Cc1cnc(C2CC2)s1 571111647 OOHFROWBNAXPMJ-UHFFFAOYSA-N 324.902 4.924 30 20 DJED C/C=C/c1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1 584312010 DRBXTDZLFROXBR-SNAWJCMRSA-N 322.383 4.647 30 20 DJED Cc1ccc2sc(C(=O)N[C@H](C)c3cccc(C#N)c3)cc2c1 589438017 PYBQPNBQINVHRP-CYBMUJFWSA-N 320.417 4.572 30 20 DJED C=CC1CCN(C(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)CC1 600418818 ANAMTBMXAZMFSQ-UHFFFAOYSA-N 310.441 4.504 30 20 DJED C=CCN(Cc1cccs1)C(=O)[C@@H](CC)Cc1ccccc1 601938882 KZSSCJKMOYUVHN-KRWDZBQOSA-N 313.466 4.532 30 20 DJED N#Cc1ccccc1SC/C=C/CSc1ccccc1C#N 610206553 JGRWMSFWQHNWBA-AATRIKPKSA-N 322.458 4.871 30 20 DJED CCCOc1ccc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1 618806195 PXTNRWDWBNTNNF-VFNWGFHPSA-N 320.436 4.685 30 20 DJED Cc1cc(C)c([C@@H](C)NCc2ccc(C#N)c(Cl)c2)cc1C 619755487 YXLNLKLXUNYSRR-OAHLLOKOSA-N 312.844 4.988 30 20 DJED CCC(=NNc1cccc(OC)c1)c1ccc(OC(F)F)cc1 725853218 GZNOTBJUQWDYSE-UHFFFAOYSA-N 320.339 4.523 30 20 DJED C#Cc1cccc(NC(=S)N(CC)c2cc(C)cc(C)c2)c1 726471187 HDUSEVSXTCRGDC-UHFFFAOYSA-N 308.450 4.508 30 20 DJED C#Cc1cccc(NC(=S)N2CCC[C@@H]2c2ccccc2C)c1 726474037 RVRHJVUVWRCEGB-LJQANCHMSA-N 320.461 4.510 30 20 DJED Cc1cccc2c1C/C(=C\c1nc(-c3ccccc3)cs1)C2=O 729151572 UABYNLIXKOCNHC-RVDMUPIBSA-N 317.413 4.941 30 20 DJED CCCCCCCCC(=O)N1CC[C@H](c2ccccc2F)C1 730505970 GWJGJWLTQNCNGI-INIZCTEOSA-N 305.437 4.892 30 20 DJED C#CCCOc1ccc(CN[C@@H](CC)c2ccc(C)cc2)cc1 733322837 FWDMNQHVTOGTBG-NRFANRHFSA-N 307.437 4.638 30 20 DJED Cc1cc(C(=O)/C=C\c2ccc3ncccc3c2)cc(C)c1F 741468683 XEWXXZLUGWNSGA-VURMDHGXSA-N 305.352 4.887 30 20 DJED O=C(/C=C\c1ccc(Br)cc1F)c1ccsc1 749104470 LIWTVYQASDSMCM-RQOWECAXSA-N 311.175 4.546 30 20 DJED COc1cc(C(=O)/C=C\c2cc3ccccc3s2)ccc1O 758427235 WABATUGWPQMOID-CLFYSBASSA-N 310.374 4.512 30 20 DJED CCCCCCC[S@@](=O)Cc1coc(-c2ccc(C)cc2)n1 764456230 XIKNJMLMIGDGRP-JOCHJYFZSA-N 319.470 4.869 30 20 DJED Cc1ccccc1[C@@H](C)CC(=O)OCCCCC(C)(C)C#N 768697640 WOTYLXNQCIOFIN-INIZCTEOSA-N 301.430 4.752 30 20 DJED C=CC[C@@H](N[C@@H](C)c1csc(C(C)C)n1)c1ccncc1 769419544 YTLRCYLKODWYTE-DZGCQCFKSA-N 301.459 4.630 30 20 DJED Clc1ccc(C2CC(=NNc3nncc4ccccc34)C2)cc1 783790377 GGZHWHBNSZNAHU-UHFFFAOYSA-N 322.799 4.629 30 20 DJED C=CCCCCC[C@H](C)N[C@H](c1ccccc1)c1nccn1C 793524996 NMITYERAUCEPBX-PKOBYXMFSA-N 311.473 4.624 30 20 DJED C=CCCCCC[C@H](C)Nc1cc2c(cc1OC)CCC(=O)N2 793550434 FTAIKHSWGWBNCK-AWEZNQCLSA-N 316.445 4.517 30 20 DJED CSc1ccc([C@H](C)Nc2snc(Cl)c2C#N)cc1 798406499 HBKNOQAULKEOPT-QMMMGPOBSA-N 309.847 4.563 30 20 DJED CCCCCCCCCCC(=O)N1CC[C@H](c2ccccn2)C1 798721951 USRNOOVEPGXGGB-SFHVURJKSA-N 316.489 4.928 30 20 DJED C#Cc1ccc(CN[C@H](CC)c2ccccc2OC(F)F)cc1 809605266 GIBJBOQNPWWZLT-QGZVFWFLSA-N 315.363 4.510 30 20 DJED COc1cccc(O)c1/C=N\[C@H](C)c1cccc(C(F)(F)F)c1 812394724 XADVHHMBBINLDV-VARIZKOUSA-N 323.314 4.600 30 20 DJED CC(C)c1cccc(C(C)C)c1NC(=O)C#Cc1cccs1 825379440 OTPGNNGFCLPRTI-UHFFFAOYSA-N 311.450 4.985 30 20 DJED CC(C)=CCC[C@H](C)CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842943075 PGGCYXULAMFYJS-DZGCQCFKSA-N 316.470 4.969 30 20 DJED CCN(C[C@@H](C)C#N)C(=O)[C@H]1CC12CCC(C(C)(C)CC)CC2 1141768261 OBMBAEQETUHGEV-RPTYLJJZSA-N 318.505 4.627 30 20 DJED N#Cc1ccc(C2CCN(C/C=C\c3cccc(F)c3)CC2)cc1 1184045090 JIUOJAAXLODXHD-RQOWECAXSA-N 320.411 4.590 30 20 DJED Cc1cc(Sc2ccccc2)n2c(nc3ccccc32)c1C#N 1184608408 RCLWVZWMAVZEPV-UHFFFAOYSA-N 315.401 4.819 30 20 DJED Cc1cccc([C@H]2CCCN2Cc2ccc(F)c(C#N)c2)c1C 1191145520 OWSNVONGSWADPZ-HXUWFJFHSA-N 308.400 4.651 30 20 DJED CC(C)[C@@H]1C[C@H](NC(=O)CC2(C#N)CCCCC2)c2ccccc21 1287704153 NMXPDYKZDLDUPK-OALUTQOASA-N 324.468 4.851 30 20 DJED C[C@H]1CCSCCN1Cc1ccc(-c2ccccc2C#N)cc1 1307739517 AUHJKSQSCAWDAY-INIZCTEOSA-N 322.477 4.553 30 20 DJED CC[C@@H](C)N(CC)C(=O)Nc1ccccc1S[C@H](C)CC#N 1354580414 QZZOIPZCAKSKMW-ZIAGYGMSSA-N 319.474 4.733 30 20 DJED CC[C@@H](C)c1ccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 1358206787 XPAHETFBYGSRIM-CQSZACIVSA-N 323.440 4.881 30 20 DJED Cc1cc(C#N)cc(NC(=O)N2C[C@@H](C(C)C)c3ccccc32)c1 1466839793 SXUXNMUKZABAIE-SFHVURJKSA-N 319.408 4.658 30 20 DJED CCC[C@H](Cc1ccccc1)Nc1ccccc1O[C@H](C)C#N 1474386895 IOQIOWUBSUVFHL-SJLPKXTDSA-N 308.425 4.801 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)CC12CC3CC(CC(C3)C1)C2 1517935233 CGIYXUHCQOIQAW-UHFFFAOYSA-N 316.489 4.524 30 20 DJED N#C[C@H]1CCC[C@H](OC(=O)c2ccccc2Oc2ccccc2)C1 1525049837 YTMRZTJOSNLNEZ-RDJZCZTQSA-N 321.376 4.718 30 20 DJED CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)CC1(C#N)CCCCC1 1532980534 ZLILOFSEAUZNNP-JKSUJKDBSA-N 304.478 4.572 30 20 DJED Cc1ccc(C(=O)OCc2cc(C#N)ccc2F)c2ccccc12 1533992116 WSZJQJUVZRQIOC-UHFFFAOYSA-N 319.335 4.516 30 20 DJED Cc1ccc([C@H]2CCC[C@H]2OC(=O)c2cc(C#N)ccc2C)cc1 1537897953 VODRMDGOQGZLPV-UYAOXDASSA-N 319.404 4.668 30 20 DJED Cc1csc(NC(=O)c2ccc(C)c3ccccc23)c1C#N 1544278215 YQVVHDHSEAKVHU-UHFFFAOYSA-N 306.390 4.642 30 20 DJED CC(C)(C)c1csc(NC(=O)[C@H]2CC3CCC2CC3)c1C#N 1544839794 KJZOFPHMOQATTA-BPCQOVAHSA-N 316.470 4.682 30 20 DJED CC1CC(C#N)(C(=O)NCC2(C3CCCCC3)CCCCC2)C1 1567103316 AHFQEPRZGCXENR-UHFFFAOYSA-N 316.489 4.573 30 20 DJED C[C@H](C(=O)Nc1ccc(Cl)cc1C#N)c1cc2ccccc2o1 1587283615 TVYHZGBRPOCUPV-NSHDSACASA-N 324.767 4.700 30 20 DJED CCc1ccc2c(c1)CCN2Cc1ccccc1C(C)(C)C#N 1620659468 UEDXXBKHFONNCH-UHFFFAOYSA-N 304.437 4.613 30 20 DJED Cc1ccnc(Oc2cc(Nc3cccc(C#N)n3)ccc2C)c1 1642325587 KQHFNASZXXPCGE-UHFFFAOYSA-N 316.364 4.501 30 20 DJED Cc1cc(N2CCCC[C@H]2C)ccc1Nc1ncc(C#N)cc1F 1642442016 UQKQDHBGZRZNCR-CQSZACIVSA-N 324.403 4.523 30 20 DJED C[C@@H](CCC#N)CN1C[C@H](C)CSc2ccc(Cl)cc21 1647045135 VDHHUGUSKRUANK-STQMWFEESA-N 308.878 4.828 30 20 DJED CC(C)(C)[C@H]1CCC[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N 1651137902 DFCZZPIJGBVRTJ-RYUDHWBXSA-N 311.351 4.599 30 20 DJED COc1ccc(CSCc2cccc(C#N)c2F)cc1Cl 1651968882 HCTDZPDHTRPXDN-UHFFFAOYSA-N 321.804 4.793 30 20 DJED Cc1c(Cl)ccc2c1N(Cc1ccc(F)c(C#N)c1)CCC2 1653639476 WGIBIJQBTCZOCX-UHFFFAOYSA-N 314.791 4.612 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cc(F)ccc1Cl 1653973001 SMVJLBGCADWYHH-LBPRGKRZSA-N 302.780 4.544 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@H]1c1c(C)cccc1C 1654201973 QKRSOWJQNTYZPU-FQEVSTJZSA-N 304.437 4.821 30 20 DJED N#Cc1ccc(SCCc2c(Cl)cccc2Cl)nc1 1656215808 VSQZDYSWWFTQRR-UHFFFAOYSA-N 309.221 4.595 30 20 DJED N#Cc1ccc(CCN[C@@H]2CCC[C@H]2c2ccccc2Cl)cc1 1659646547 YXYIDVANMSMZIB-AZUAARDMSA-N 324.855 4.680 30 20 DJED CCCCCCCCCCCN(C)c1ncc(C(=O)O)s1 1776787764 QZSFSLBODZKGCD-UHFFFAOYSA-N 312.479 4.808 30 20 DJED Cc1cc(C)c(C#N)c(SCc2cc(-c3ccccc3)on2)n1 7096875 WICBPNXNJPRNHU-UHFFFAOYSA-N 321.405 4.517 30 20 DJED CCCCCNC(=O)c1ccccc1Sc1ccccc1C#N 29504688 RXOYZGOMXYJDIR-UHFFFAOYSA-N 324.449 4.629 30 20 DJED COc1cc(Cl)c(C)cc1N[C@@H](C)c1cccc(C#N)c1 37196098 DWNAFPPRZQPLOZ-LBPRGKRZSA-N 300.789 4.702 30 20 DJED C[C@H](CC#N)N(C)C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 80027857 QFUNPKDQFCROKX-CQSZACIVSA-N 324.424 4.618 30 20 DJED COc1ccc(C)cc1[C@H](C)N[C@H](CCC#N)c1ccccc1 90665688 UROXCASRTJTNIY-QFBILLFUSA-N 308.425 4.699 30 20 DJED Cc1cc(Cl)ccc1NCc1ccc(O[C@@H](C)C#N)cc1 135936956 OUSPBYNRPKBDKP-ZDUSSCGKSA-N 300.789 4.551 30 20 DJED C=CCOc1ccccc1CN[C@H](C)c1cc(F)c(F)c(F)c1 161511669 WTFSBALIFHNLGM-GFCCVEGCSA-N 321.342 4.520 30 20 DJED CC(C)(C#N)CCCN[C@@H](c1ccccc1)c1ccc(F)cc1 174855562 NGDPYYPAGPOOPH-IBGZPJMESA-N 310.416 4.835 30 20 DJED CCC(CC)CN(CCC#N)C(=O)Nc1ccccc1Cl 176337682 ZMTDAAWSNQBCIW-UHFFFAOYSA-N 307.825 4.524 30 20 DJED C[C@H](C#N)Oc1ccccc1NC(=O)C[C@H]1CCCCC1(C)C 182109669 BSQLNOVJFAJBML-HUUCEWRRSA-N 314.429 4.522 30 20 DJED Cc1ccc(-c2nnc(S[C@H](C)c3cccc(C#N)c3)o2)cc1 189800820 JFSRLKZTNXXGCQ-CYBMUJFWSA-N 321.405 4.770 30 20 DJED CCC1(CC)CCCN(C(=O)Nc2ccc(CC#N)cc2)CC1 191069759 CIBYOOPEQQQRTA-UHFFFAOYSA-N 313.445 4.577 30 20 DJED CC(C)(C)C[C@@H](NCc1ccc(OCC#N)cc1)c1ccccc1 193019236 UJMVSQBIGKLASV-HXUWFJFHSA-N 322.452 4.856 30 20 DJED O=C1/C(=C\c2ccc3ncccc3c2)CSc2ccccc21 212923877 RZHLEOPXQUOPAW-PTNGSMBKSA-N 303.386 4.607 30 20 DJED C[C@H]1CCC[C@@H](C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 247088556 ULTVXHGZWQVYIV-RRFJBIMHSA-N 316.470 4.703 30 20 DJED CC(C)[C@@H](Nc1ccc(C#N)cn1)c1ccc(Cl)cc1F 302042393 IRVLCNAHIGAHPO-MRXNPFEDSA-N 303.768 4.555 30 20 DJED CCN(CCSc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 303538386 JAQBWQQNPGRKJV-INIZCTEOSA-N 310.466 4.733 30 20 DJED OC(C[C@@H]1C=CCCC1)=Nc1cc2c(cc1F)CCC(O)=N2 330180663 GCBOGWUTXFUKNE-LLVKDONJSA-N 302.349 4.694 30 20 DJED C[C@H](C1CC1)N(C(=O)CCCC#N)c1cccc(C(F)(F)F)c1 361677313 ICWBUTKEDFGYEM-GFCCVEGCSA-N 324.346 4.531 30 20 DJED CC(C)N(C(=O)[C@H](C)c1cccc(C#N)c1)[C@@H](C)c1ccccc1 410894189 UCYYGMSTGZDICD-SJORKVTESA-N 320.436 4.660 30 20 DJED N#Cc1ccc(N[C@@H]2CCO[C@@H](c3cccs3)C2)cc1Cl 413347394 ALMCHYVDRMXAHA-UKRRQHHQSA-N 318.829 4.605 30 20 DJED N#CC1(CCSCCCOCC(F)(F)F)CCCCC1 419405321 UXQCBLQBVUDZTJ-UHFFFAOYSA-N 309.397 4.553 30 20 DJED CCc1ccc(NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1C 425662974 NUVITWLALCGSGE-OAHLLOKOSA-N 321.424 4.654 30 20 DJED Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)CCC2 426293974 ZQKRFRHNQPCZGG-JLTOFOAXSA-N 308.400 4.734 30 20 DJED C[C@H](C(=O)Nc1ccc(C#N)cc1Cl)c1cc2ccccc2o1 430361718 CKKWXJVTIAQOKP-NSHDSACASA-N 324.767 4.700 30 20 DJED Cc1nc2ccccc2nc1S[C@@H](C)c1cccc(C#N)c1 442906230 UWSMQCUEBDYMPQ-ZDUSSCGKSA-N 305.406 4.663 30 20 DJED C=CCCN(C)C(=O)Nc1cccc(OCc2ccccc2C)c1 466563831 CLGHJIPJUOFCTA-UHFFFAOYSA-N 324.424 4.614 30 20 DJED Cc1ccc(C[C@H](NCCCCC#N)c2ccc(C)cc2)cc1 482436114 IJORMIPAXUGYKX-NRFANRHFSA-N 306.453 4.871 30 20 DJED CC(C)N(C(=O)C[C@H](CC#N)c1ccccc1)C1CCCCC1 483447142 ZTAYRDWOHNFHEC-SFHVURJKSA-N 312.457 4.644 30 20 DJED N#CCCCN[C@H](CCCc1ccccc1)c1ccc(F)cc1 494985912 OBGRRWQBSBBOOG-HXUWFJFHSA-N 310.416 4.783 30 20 DJED C=CC[C@@H](C)NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 522642518 RBQIPRJKAHUDSP-QAPCUYQASA-N 311.450 4.601 30 20 DJED C[C@@H]1C[C@H]1[C@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 525181531 XYHRQAAMSAWQIZ-UPRAQXHNSA-N 310.828 4.699 30 20 DJED C[C@@H](NCc1c(Cl)cccc1Cl)c1cccc(C#N)c1 540592183 UOHGUNJGQAZMBV-LLVKDONJSA-N 305.208 4.716 30 20 DJED N#CC1(CSCCOC(c2ccccc2)c2ccccc2)CC1 540614379 LRVWLVQDBOLDEB-UHFFFAOYSA-N 323.461 4.830 30 20 DJED C=CCCCCCN(C)C(=O)c1ccc(-c2cccs2)o1 543076047 BFURQFKTLLZFRN-UHFFFAOYSA-N 303.427 4.827 30 20 DJED C[C@@H]1C[C@@H]1[C@H](NCc1ccc(CC#N)cc1)c1ccc(Cl)cc1 543183258 LRLDXWJONRIPRG-VOBQZIQPSA-N 324.855 4.893 30 20 DJED N#Cc1cccc(CN[C@@H](Cc2ccccc2)c2cccs2)c1 609741547 NNHPJCSUDBFXNW-IBGZPJMESA-N 318.445 4.693 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2Nc1ccccc1OC(F)F 611481180 TVSJRNHXZQFRGF-OAHLLOKOSA-N 314.335 4.649 30 20 DJED C=CCC[C@H](N[C@@H](c1nc[nH]n1)C1CCCCC1)c1ccccc1 638785544 XDDYOJUCCXMRDB-RBUKOAKNSA-N 324.472 4.723 30 20 DJED C=CCN(Cc1ccccc1)C(=O)CCc1ccc([C@H]2C[C@H]2C)o1 642211564 SIOKERBBQNDWRM-APWZRJJASA-N 323.436 4.550 30 20 DJED CCCCCCCCCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 731456732 FAWUNKUKQXAKSS-UHFFFAOYSA-N 324.396 4.557 30 20 DJED COc1ccc(CN[C@@H](CC(C)C)c2ccccc2C)cc1C#N 742370542 ACBTWTNGDRCHJI-FQEVSTJZSA-N 322.452 4.752 30 20 DJED COCc1cccc(/C=C\C(=O)c2ccc3ccccc3c2)c1 742429052 FWWQUFXAMDXSRV-XFXZXTDPSA-N 302.373 4.882 30 20 DJED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H](C)CCCCC 742593543 RFUCXQIWNFKQBS-KRWDZBQOSA-N 312.457 4.679 30 20 DJED CCCCCCCC(=O)O[C@@H](C)c1nc(-c2ccccc2)no1 744769579 QNVCHHYPQNVDPL-AWEZNQCLSA-N 316.401 4.701 30 20 DJED CCC(CC)CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 759538867 MFGLAILGAQMGFS-LBPRGKRZSA-N 320.845 4.952 30 20 DJED CCCC1(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 760365088 HGFZJKAQLNEOMH-IBGZPJMESA-N 318.420 4.861 30 20 DJED COc1cccc(NN=Cc2ccc(F)c(Cl)c2Cl)c1 761784604 CKBVSBLNINPUGK-UHFFFAOYSA-N 313.159 4.587 30 20 DJED CCCCCCCCC(=O)Nc1ccc(NC(=O)OC)c(F)c1 783562681 HPVILVDDZKVCBZ-UHFFFAOYSA-N 324.396 4.693 30 20 DJED C[C@H](OC(=O)CC(C)(C)C#N)c1ccccc1-c1ccccc1 786381968 NFNOXXAKGPFEBH-HNNXBMFYSA-N 307.393 4.898 30 20 DJED C(=NNC[C@@H]1CCSC1)c1c2ccccc2cc2ccccc12 811661998 ZFTRXWZBNLWOGC-HNNXBMFYSA-N 320.461 4.670 30 20 DJED N#Cc1cccc(C(=O)/C=C/c2cscc2C(F)(F)F)c1 811688616 QBLIWMXIRNULET-SNAWJCMRSA-N 307.296 4.535 30 20 DJED Clc1ncccc1C=NNCc1ccc(-c2ccccc2)cc1 814863188 DMODGSAPCNKNHQ-UHFFFAOYSA-N 321.811 4.526 30 20 DJED CC[C@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1cccc(C#N)c1 903006837 OQCPTWWQBHZRPG-MDASCCDHSA-N 306.409 4.511 30 20 DJED C=CCN(Cc1ccccc1)C(=S)Nc1cccc(CC)c1 914601764 NSXFJXLYNPINFT-UHFFFAOYSA-N 310.466 4.634 30 20 DJED CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1O 916132366 AALJYXNDCBMQBY-VZUCSPMQSA-N 310.393 4.810 30 20 DJED Clc1ccc(NN=Cc2cc(Br)cs2)cc1 916246636 FTWCAGSJJXQFQA-UHFFFAOYSA-N 315.623 4.610 30 20 DJED Cc1cc(Nc2cccc(F)c2C#N)ccc1OCC(F)(F)F 1162597200 GRTYPQWEWDMSNO-UHFFFAOYSA-N 324.277 4.691 30 20 DJED Cc1cccc(-c2nsc(N[C@H](C)c3ccc(C#N)cc3)n2)c1 1185046901 WZAFXXRCRUGSRV-CYBMUJFWSA-N 320.421 4.558 30 20 DJED CC[C@H](Nc1nc(C#N)c(Cl)s1)c1ccc(F)cc1F 1185430221 VNWHLBGTURTNSP-JTQLQIEISA-N 313.760 4.510 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1N[C@H]1CCCC(F)(F)C1 1185785622 UPQYKGXHZSWVKH-NSHDSACASA-N 321.758 4.750 30 20 DJED CCCCc1ccc(N(C)C(=O)Nc2cc(C)cc(C#N)c2)cc1 1219115317 IQLFWKPHGXGXIE-UHFFFAOYSA-N 321.424 4.878 30 20 DJED CCCN(CC1CCCCC1)C(=O)c1ccc(C#N)c(Cl)c1 1291972340 BDXMKCFCZMYEFS-UHFFFAOYSA-N 318.848 4.644 30 20 DJED CC[C@H](NC(=O)Nc1cc(C#N)ccc1C)c1cc(C)ccc1C 1310382068 HEIRKKLDVNWLJA-SFHVURJKSA-N 321.424 4.756 30 20 DJED C=CCCO[C@@H](C)c1nnc(-c2cc3c(s2)CCCCC3)o1 1324040776 PZGPADZXYVYZSE-LBPRGKRZSA-N 318.442 4.721 30 20 DJED CCc1ccc(-c2nnc(C[C@@H](CC#N)c3ccccc3)o2)cc1 1331902400 PNBINPPJUWMQAC-GOSISDBHSA-N 317.392 4.539 30 20 DJED CC[C@H](C)CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 1360224767 JALYWCSGGWWWPC-AWEZNQCLSA-N 308.381 4.725 30 20 DJED N#C[C@]1(C(=O)OCc2ccc(Cl)cc2Cl)CC12CCCC2 1435382229 IGYGCYBMUAJOER-INIZCTEOSA-N 324.207 4.511 30 20 DJED CCCC[C@@H](C)N(C)c1cc(C)c(C#N)c2nc3ccccc3n12 1458414651 LROLLBXMBGXNSW-OAHLLOKOSA-N 320.440 4.683 30 20 DJED N#Cc1nc(NCc2cc(Cl)cc(Cl)c2)sc1Cl 1458485051 UWAOGECLECKGCN-UHFFFAOYSA-N 318.616 4.587 30 20 DJED COc1cc(CN[C@H](CCC(C)C)C(C)(C)C)ccc1C#N 1474006455 VEGLZYICPISFGL-GOSISDBHSA-N 302.462 4.507 30 20 DJED CC(C)(C)C[C@H](NC(=O)c1cc(C#N)cs1)c1ccccc1 1515232867 IAVPLXZIFADXCM-HNNXBMFYSA-N 312.438 4.527 30 20 DJED CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ccc(C#N)s1)CCC2 1527751603 PMFJANRNADDHTP-QGZVFWFLSA-N 324.449 4.551 30 20 DJED CC1(C)C[C@@H](c2ccccc2)N(C(=O)CC2(C#N)CCCCC2)C1 1537102918 UNZHBVLNMIVXOY-SFHVURJKSA-N 324.468 4.850 30 20 DJED CC[C@H]1CCC[C@H]1C(=O)Nc1scc(C(C)(C)C)c1C#N 1544839986 NXMHOGRMJZNDPJ-NWDGAFQWSA-N 304.459 4.682 30 20 DJED N#Cc1ccccc1N(C(=O)c1cccc(C2CC2)c1)C1CCC1 1587311074 UHFZTNNVOQKVKX-UHFFFAOYSA-N 316.404 4.635 30 20 DJED CC[C@@H]1CCC[C@H](Nc2c(Br)cccc2C#N)C1 1612007369 SGJVKCPDUBSAGZ-YPMHNXCESA-N 307.235 4.701 30 20 DJED CC[C@H](C)[C@@H](C)N(Cc1ccc(C#N)cc1OC(F)F)C1CC1 1615470259 WVDZKMGVGIMNIB-QWHCGFSZSA-N 322.399 4.559 30 20 DJED Cc1ccc(Nc2ncc(Cl)c(C)c2C#N)cc1OC(F)F 1639513568 VWJPAFHHOZFWMX-UHFFFAOYSA-N 323.730 4.569 30 20 DJED C[C@H]1CCCC[C@H]1COc1cc(C#N)ccc1Br 1641344235 IKWIFZLBFLAIRG-AAEUAGOBSA-N 308.219 4.526 30 20 DJED CC1(C)CC[C@@H](Nc2nc(Cl)c(C#N)s2)c2ccccc21 1642157500 WDEJVSIUUSYCCQ-GFCCVEGCSA-N 317.845 4.893 30 20 DJED Cc1nc(Nc2ccc(OCC3CCCCC3)cc2)ccc1C#N 1642165322 FCTWTAQTIORPIG-UHFFFAOYSA-N 321.424 4.964 30 20 DJED N#CCC1(CN[C@H](Cc2ccccc2Cl)c2ccccc2)CC1 1642553232 PSBJOCRYKJPEOI-LJQANCHMSA-N 324.855 4.907 30 20 DJED C=C(Br)CN(C)c1ccc2c(c1)oc1ccccc12 1643127789 UJNVKPWQBQTSPZ-UHFFFAOYSA-N 316.198 4.931 30 20 DJED Cc1cccc(CN(Cc2ccc(C#N)cc2F)CC(C)C)c1 1651905539 ASEBZDBRMQTXME-UHFFFAOYSA-N 310.416 4.664 30 20 DJED N#Cc1c(F)cccc1CN1CC2(CCCC2)[C@H]1c1ccccc1 1658276856 BFTKSPQWVXBJTG-HXUWFJFHSA-N 320.411 4.815 30 20 DJED CCCc1ccc(C[C@@H](C)C=NNc2ccc(C(=O)O)cc2)cc1 1776012415 RKXWJTXSSZICSD-OAHLLOKOSA-N 324.424 4.614 30 20 DJED Cc1ccccc1NC(=O)c1ccccc1-c1ccccc1C#N 7276351 NODVWEJYQRUSFU-UHFFFAOYSA-N 312.372 4.786 30 20 DJED O=C(/C=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 33369195 QKPZPUDBHPOCTB-LUAWRHEFSA-N 319.316 4.751 30 20 DJED C[C@H](NCc1ccc(C#N)cc1)c1cc(Cl)ccc1Cl 37748271 AJGXYAYHMLHUFC-NSHDSACASA-N 305.208 4.716 30 20 DJED C=CCN(C(=O)CC(C)(C)C)c1nc(-c2ccccc2)cs1 57329454 JTNDEXMMUHKLJK-UHFFFAOYSA-N 314.454 4.765 30 20 DJED C=C(C)CN(CC)C(=O)Nc1cccc(-c2nc(C)cs2)c1 105031780 KIOOKFBZTQTCRL-UHFFFAOYSA-N 315.442 4.548 30 20 DJED Cc1cccc(NC(=O)Nc2ccccc2SCCC#N)c1 108431298 RSJYIEFPHUVDOL-UHFFFAOYSA-N 311.410 4.645 30 20 DJED CCCCCCCCC(=O)Nc1ccncc1Br 147636479 YGNUWCRMLWZUNY-UHFFFAOYSA-N 313.239 4.533 30 20 DJED C[C@@H](SCc1ccc(C#N)cc1)c1nc(-c2ccccc2)no1 155176091 PFTNSUVGAKSVLR-CYBMUJFWSA-N 321.405 4.603 30 20 DJED C=C[C@@H](CC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccccc1 179497694 BRKMMTJHJPJUIO-PXNSSMCTSA-N 318.420 4.508 30 20 DJED C[C@H](NCCCCC(C)(C)C#N)c1ccc(OC(F)F)cc1 278554292 BAUDDRXDPSKFDR-ZDUSSCGKSA-N 310.388 4.659 30 20 DJED C[C@@H](COc1ccc(Br)cc1C#N)C1CCCCC1 312065232 FDBDTTMLIDCSSF-LBPRGKRZSA-N 322.246 4.916 30 20 DJED N#CCOc1cccc(N[C@@H]2CCCC[C@H]2c2ccccc2)c1 319957045 UZOSBKYRBNUXGP-VQTJNVASSA-N 306.409 4.727 30 20 DJED CC1(C)CCC[C@@H](C(O)=Nc2cccc([C@@H]3CN=C(O)C3)c2)C1 328875920 SGEQYJWRSHIFCS-CABCVRRESA-N 314.429 4.935 30 20 DJED C[C@H](NCc1ccc(C#N)c(F)c1)c1ccccc1C(F)(F)F 404755215 KPNAGZMZXNMVBD-NSHDSACASA-N 322.305 4.567 30 20 DJED CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1CC#N 410961654 AXCDLFAQWSIPFQ-IUODEOHRSA-N 304.821 4.561 30 20 DJED CC[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 413651645 AOCGWKNSNGEFKO-SFHVURJKSA-N 321.424 4.761 30 20 DJED C=CCC[C@@H](NC(=O)N(C1CC1)[C@@H](C)C1CC1)c1ccccc1 435763251 QIFOGNNNIFPTQE-HNAYVOBHSA-N 312.457 4.666 30 20 DJED N#Cc1ccc(SCc2nc(-c3ccccc3)cs2)cc1 436196266 VEPYFGTUYOSAKK-UHFFFAOYSA-N 308.431 4.974 30 20 DJED CCC(C)(C)OCc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1C 442872024 YHTGKSASDKPCLC-WBVHZDCISA-N 300.446 4.804 30 20 DJED CC1CCN(c2cccc(NC3CCC(C)(C#N)CC3)c2)CC1 449055283 KHIRXYMJFPPFLE-UHFFFAOYSA-N 311.473 4.807 30 20 DJED CC1(C#N)CCC(N[C@@H]2CC[C@H](c3cccc(F)c3)C2)CC1 449297641 GZLHOOCFPSTAKA-WEOZKBJRSA-N 300.421 4.524 30 20 DJED C=CC[C@H]1N(C(=O)c2cc3cccnc3s2)CCCC1(C)C 451218664 SBYNIQQXOFWIQT-OAHLLOKOSA-N 314.454 4.503 30 20 DJED COc1ccccc1[C@@H](C)SCc1ccc(F)c(C#N)c1 468653281 UWRQQCQSJASJGI-GFCCVEGCSA-N 301.386 4.700 30 20 DJED C=CC[C@@H](C(=O)N1CC[C@H](c2ccc(F)cc2)C1)c1ccccc1 478215569 XJRAZZXZEHLGNQ-AZUAARDMSA-N 323.411 4.502 30 20 DJED CC(C)(C#N)c1ccccc1CSc1nc2ccccc2o1 487457661 YBOYXNURBBNRHT-UHFFFAOYSA-N 308.406 4.921 30 20 DJED Cc1cc(SCc2ccc(F)cc2C#N)c2ccccc2n1 488614680 BWJILRMSUMCTJV-UHFFFAOYSA-N 308.381 4.846 30 20 DJED C=CC[C@@H](C(=O)Nc1cccc(COC(C)C)c1)c1ccccc1 488709563 KMDZFDAUSGHNQH-HXUWFJFHSA-N 323.436 4.910 30 20 DJED CCn1c(-c2cccc(OCCCC#N)c2)nc2ccc(F)cc21 502775060 SSJMCXLIJZDEBR-UHFFFAOYSA-N 323.371 4.545 30 20 DJED C=CCCO[C@H](C)C(=O)Nc1ccc(C(C)C)cc1C(C)C 519069988 DDHAKINSXFFPAJ-OAHLLOKOSA-N 303.446 4.853 30 20 DJED CC(C)C[C@H](C)CC(=O)Nc1sc2c(c1C#N)CCCC2 524089148 BUZKVTAKTUZPNB-LBPRGKRZSA-N 304.459 4.509 30 20 DJED N#CCCCOc1cccc(-c2nc3cccc(Cl)c3[nH]2)c1 536138021 WHIXBRPDCCFOCF-UHFFFAOYSA-N 311.772 4.566 30 20 DJED Cc1cc([C@@H](NCCCC#N)c2ccccc2Cl)ccc1F 542498783 MHLFSPAOZFZFIC-GOSISDBHSA-N 316.807 4.770 30 20 DJED C[C@@H](C#N)CNCc1ccccc1Oc1ccc(F)cc1Cl 545192254 PHZRBQKDBFGGEC-LBPRGKRZSA-N 318.779 4.521 30 20 DJED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2ccccc2)cc1Cl 545969133 IPEQDIDAZLYGBF-SFHVURJKSA-N 324.811 4.579 30 20 DJED N#Cc1ccc2c(c1)[C@@H](NCc1ccc3sccc3c1)CC2 575031508 NGRMDCAJPUDPIS-SFHVURJKSA-N 304.418 4.550 30 20 DJED C=CCCCCCN(C)C(=O)Cc1ccc(Cl)c(Cl)c1 606816880 UVDHVVXHAHYZGB-UHFFFAOYSA-N 314.256 4.741 30 20 DJED CSc1ccc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1 618804852 MQLYYXBOQWASRV-DJJJIMSYSA-N 308.450 4.618 30 20 DJED N#Cc1ccc(N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 619511118 KFIHZKXMSOXIOZ-HNNXBMFYSA-N 319.433 4.552 30 20 DJED Cc1cc(F)ccc1C(=O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1 731320661 XZYFIXRESMNBCN-CLTKARDFSA-N 319.719 4.592 30 20 DJED CCCC1CCC(NCc2cccc(O[C@H](C#N)CC)c2)CC1 733800687 DAJSBNXPEQWWLU-KVZIAJEVSA-N 314.473 4.816 30 20 DJED C=CCCCOC(=O)c1csc(-c2cccc(Cl)c2)n1 735532905 QSRDMCDYANYKNL-UHFFFAOYSA-N 307.802 4.587 30 20 DJED CCCC[C@@H](CC)CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 735791460 YXTICAJTQGFYSA-CABCVRRESA-N 311.429 4.654 30 20 DJED CCCCCCCCN(CC)Cc1nc(O)c2ccccc2n1 740873757 BBLUQPIGCJBSLG-UHFFFAOYSA-N 315.461 4.518 30 20 DJED CC(=NNc1ccc(Cl)nc1)c1sc(C(C)(C)C)nc1C 743450267 OGGLLGUSVHTENE-UHFFFAOYSA-N 322.865 4.634 30 20 DJED CCCCC[C@H](C)CC(=O)Nc1sc2c(c1C#N)CCC2 744351427 LDZZZNGNNFZFTH-LBPRGKRZSA-N 304.459 4.653 30 20 DJED C=C(C)CNC(=S)Nc1ccc(S[C@H](C)CC)cc1C 748160069 ZARZUIGVOAVCHN-CYBMUJFWSA-N 308.516 4.748 30 20 DJED CCOc1ccc(Cl)cc1C(=O)/C=C\c1cc(C#N)cs1 748440564 NMKMVWQSZRBZTO-PLNGDYQASA-N 317.797 4.568 30 20 DJED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCC2CCC2)cc1 749322304 AHULYWSPHTZNRV-HXUWFJFHSA-N 318.420 4.861 30 20 DJED Cc1ccc2cc(C(=O)/C=C3/COc4ccc(F)cc43)oc2c1 754828791 ICXNLMHEIKZLRH-QPEQYQDCSA-N 308.308 4.539 30 20 DJED C[C@@H](C#N)Oc1ccccc1NCCc1ccc2ccccc2c1 758124386 JNDMZIMAPHKEGF-INIZCTEOSA-N 316.404 4.785 30 20 DJED CC(C)Oc1ccc(C(=O)/C=C\c2cnc(C(C)C)s2)cc1 758428283 CMTQBPDQYLCGSQ-KTKRTIGZSA-N 315.438 4.950 30 20 DJED Cc1ccc(OC(F)F)c(/C=C\C(=O)c2ccc(Cl)nc2)c1 759082907 QWRRABNARLPQAQ-HYXAFXHYSA-N 323.726 4.541 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1cscc1Cl 771861823 XBAUOAJVACVCAC-WAYWQWQTSA-N 308.834 4.692 30 20 DJED C#CCCCCC(=O)Nc1ccc(Oc2ccccc2)cc1C 773304330 RGWOYUJBFRMMGL-UHFFFAOYSA-N 307.393 4.919 30 20 DJED CCCCC[C@H](CC)C(=O)N[C@H](CCC#N)c1ccccc1 775781399 BMKKQDHVQGPIIX-FUHWJXTLSA-N 300.446 4.754 30 20 DJED CC(C)Oc1ccc(N[C@@H](C)c2ccc(C#N)c(F)c2)c(F)c1 777292435 XUYBJZVJKKTJDM-LBPRGKRZSA-N 316.351 4.797 30 20 DJED CCCCCC[C@@H](C)NN=C1CCC(c2nc(CC)no2)CC1 778541102 AVTZIZQHDJFYBQ-GICMACPYSA-N 320.481 4.594 30 20 DJED CC(C)N(C)c1ccc(/C=C/C(=O)c2coc3ccccc23)cn1 790226026 ZDLRCMKYMIGEIG-CSKARUKUSA-N 320.392 4.569 30 20 DJED CN(C(=O)C[C@@H](CC#N)c1ccccc1)C1CCCCCCC1 793308766 JFIRHBUKRWBGFK-GOSISDBHSA-N 312.457 4.645 30 20 DJED N#Cc1ccc2c(c1)CC/C(=C/C=C/c1ccc(F)c(F)c1)C2=O 794699320 FAEPOIXXPHBJPZ-JSAOQESESA-N 321.326 4.605 30 20 DJED Cc1oc(C#N)cc1C(=O)Nc1ccc(SC(C)(C)C)cc1 797852907 ONZVEXGUNLVASU-UHFFFAOYSA-N 314.410 4.603 30 20 DJED c1ccc(C2CCC(=NNc3nccnc3C3CCC3)CC2)cc1 807994490 SZMHTIZWDAWGTQ-UHFFFAOYSA-N 320.440 4.870 30 20 DJED COc1ccccc1CON=C[C@H]1CCC[C@@H](C(F)(F)F)C1 853342740 MXWOGMQFJPTMAN-GXTWGEPZSA-N 315.335 4.566 30 20 DJED C/C(=C(\F)C(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CC1 900630251 JUJZVJLEWFNJAE-NRMVZKHRSA-N 318.417 4.530 30 20 DJED FC(F)(F)c1ccc(CNN=Cc2ccc(Cl)s2)cc1 915972738 TZBKCQVMDSGEKT-UHFFFAOYSA-N 318.751 4.544 30 20 DJED C=CCOc1cccc(CNc2ccn(C3CCCCC3)n2)c1 1116800729 GLKLELBAAHFNFX-UHFFFAOYSA-N 311.429 4.565 30 20 DJED CC(C)CC(C)(C)CNc1c(Br)cccc1C#N 1162701259 VAFWPLVBJFVUTO-UHFFFAOYSA-N 309.251 4.805 30 20 DJED CC[C@@H]1CCC[C@H]1CNc1ccc(C#N)c(Br)c1 1307123869 VVAXVESQVNTPDT-YPMHNXCESA-N 307.235 4.559 30 20 DJED CC(C)CCc1nc(COc2ccc(C#N)c(Cl)c2)cs1 1307331699 RLASVQWEOYGGEJ-UHFFFAOYSA-N 320.845 4.836 30 20 DJED C[C@H]1CCN(CCC2(C#N)CCCCC2)[C@H](c2ccco2)C1 1307493348 JKVNPDLYCHVTNW-IRXDYDNUSA-N 300.446 4.917 30 20 DJED C=CCCOCCCCC(=O)O[C@@H]1CCSc2ccccc21 1319836641 BGYNUSGGMZTUJC-MRXNPFEDSA-N 320.454 4.530 30 20 DJED C[C@H](SCc1cccc(C#N)c1)c1nccn1-c1ccccc1 1323371123 SQMAVWWTTNKWFZ-HNNXBMFYSA-N 319.433 4.738 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)c2sc3ccccc3c2Cl)C1 1436647192 ABUATMGCPUGZJE-MNOVXSKESA-N 319.813 4.794 30 20 DJED CCCCN(CCCC)Cc1cc(C#N)ccc1Br 1459563983 JYYDEMUYIHHQHM-UHFFFAOYSA-N 323.278 4.723 30 20 DJED C[C@H](NC1CCC(C)(C#N)CC1)C1(c2ccccc2)CCCC1 1474451358 CWHFASJXASTTHU-KKXNLOMOSA-N 310.485 4.949 30 20 DJED Cc1cc(C#N)cc(N[C@@H](CCc2ccccc2)C(F)F)c1 1474578314 SUBULCBFXKTXEL-KRWDZBQOSA-N 300.352 4.545 30 20 DJED CC[C@@H](OC(=O)CC1(C#N)CCCCC1)c1ccc(OC)cc1 1520592352 RMGOJLKHRCEVAO-QGZVFWFLSA-N 315.413 4.554 30 20 DJED CC(C)Cc1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)cc1 1525564806 RWQTXOFIHNLVCM-OAHLLOKOSA-N 307.393 4.675 30 20 DJED CCC(CC)C(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C 1526732733 VESHKWXQGISFFX-QWRGUYRKSA-N 304.459 4.680 30 20 DJED CCN(C[C@@H]1C[C@@H]1c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 1560684984 HJHXGHGZYUXPQN-ORYQWCPZSA-N 304.437 4.745 30 20 DJED CC1CC(C#N)(C(=O)Nc2ccc3c(c2)C(C)(C)CC3(C)C)C1 1633156890 WEZOTCNAQXWOPA-UHFFFAOYSA-N 310.441 4.524 30 20 DJED Cc1nc(N[C@H](C)Cc2ccc(Cl)cc2Cl)ccc1C#N 1639399909 ZHBGAQAHUHZQJT-SNVBAGLBSA-N 320.223 4.612 30 20 DJED Cc1cccc([C@H]2CCCCN2c2nccc(C)c2C#N)c1C 1639551656 RZVQKSCFLOYIHN-LJQANCHMSA-N 305.425 4.610 30 20 DJED CCN(c1ccc(Nc2snc(Cl)c2C#N)cc1)C(C)C 1654948459 ITOHCPFJGFOYFR-UHFFFAOYSA-N 320.849 4.646 30 20 DJED COc1cccc([C@H](C)SCc2cc(F)ccc2C#N)c1 1656370230 YMEGUSVKKCOARR-LBPRGKRZSA-N 301.386 4.700 30 20 DJED CCCc1c(N[C@H](C)CC(C)(C)C#N)cnn1-c1ccc(C)cc1 1659450777 DQYYKZZRBQOWQV-MRXNPFEDSA-N 324.472 4.874 30 20 DJED CCCC[C@@H](CCC)CNC(=O)N[C@@H](C)c1ccc(C#N)cc1 1667563524 AIBFRGCQRCNQRY-DOTOQJQBSA-N 315.461 4.525 30 20 DJED CCCCC1CCC(NC(=O)Nc2cccc(C#N)c2C)CC1 1675321148 UEOUSRUANJQJJZ-UHFFFAOYSA-N 313.445 4.737 30 20 DJED O=C(O)c1ccccc1NN=C1CCC[C@@H](c2ccccc2)CC1 1776031208 SJGFPYQTSBDUPT-MRXNPFEDSA-N 322.408 4.901 30 20 DJED C=CCCCCCCCCCNc1nc(C)ccc1C(=O)O 1776172507 SEFUUMPFYZXZSQ-UHFFFAOYSA-N 304.434 4.807 30 20 DJED CC(C)[C@@H]1/C(=C\c2ccc(C(=O)O)c(F)c2)C(=O)c2ccccc21 1776308850 QSMVYMRVKWVIGB-WBNHJWIASA-N 324.351 4.543 30 20 DJED CC[C@@H](C)c1ccc(C(=O)/C=C\c2ccc(C(=O)O)s2)cc1 1776697883 UOGYHIOHDARWEY-VPUINMBXSA-N 314.406 4.856 30 20 DJED O=C(/C=C/c1ccccc1C(F)(F)F)c1ccc(F)cc1F 6337365 MNAHGQLRZYOGHC-VMPITWQZSA-N 312.237 4.880 30 20 DJED CSc1ccc(C)c(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 25841129 AWJSYGOVWYEOEP-UHFFFAOYSA-N 324.449 4.770 30 20 DJED C=CCN(Cc1cccc(C#N)c1)Cc1cccc(OC(C)C)c1 63300124 KRHGOBHYOMVQLF-UHFFFAOYSA-N 320.436 4.534 30 20 DJED CC1(C)Cc2occc2[C@H](N[C@@H](CCC#N)c2ccccc2)C1 90665673 BCNOWEWRQQHDJX-ZWKOTPCHSA-N 308.425 4.928 30 20 DJED CCCCCCCC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 100168830 GDEPWWGKXFXZAI-SFHVURJKSA-N 319.445 4.543 30 20 DJED N#CCC[C@H](NCc1cc(Cl)ccc1F)c1ccccc1 119847918 OQNGAQSRPUIRDW-KRWDZBQOSA-N 302.780 4.614 30 20 DJED C[C@H](CCC(=O)N[C@H](CCC#N)c1ccccc1)c1ccccc1 125195204 QGYLTHWQJSAXOS-YLJYHZDGSA-N 320.436 4.732 30 20 DJED N#CC1(C(=O)Nc2ccccc2CCC(F)(F)F)CCCCC1 155323149 OIPWNNSTXVPSJY-UHFFFAOYSA-N 324.346 4.594 30 20 DJED CC(C)c1ccc(-c2ncc(CN(C)[C@H](C)CC#N)s2)cc1 161848888 WXIVJPBJHRGSNZ-CQSZACIVSA-N 313.470 4.667 30 20 DJED N#CCCCCSCc1csc(CCc2ccccc2)n1 161935065 MXBWCFBIHWYZKJ-UHFFFAOYSA-N 316.495 4.855 30 20 DJED CC(C)c1ccccc1NC(=O)Nc1ccccc1O[C@H](C)C#N 162067073 GWILRXAWMNUGBG-CQSZACIVSA-N 323.396 4.745 30 20 DJED Cc1csc(CSc2ccc(C#N)c(C(F)(F)F)c2)n1 181064237 CLQIEXSDCSEOMF-UHFFFAOYSA-N 314.357 4.634 30 20 DJED CC(C)c1nc([C@@H](C)N[C@H](CCC#N)c2ccccc2)cs1 186427838 OLBTUQYQLFRKRF-GDBMZVCRSA-N 313.470 4.962 30 20 DJED C=CC[C@@H](C(=O)Nc1cc(Cl)ccc1OC)c1ccccc1 189388073 DJHODKWZBTWEPD-OAHLLOKOSA-N 315.800 4.647 30 20 DJED N#CCC[C@@H](NCc1ccc(OCC2CC2)cc1)c1ccccc1 191460899 SZQAJAMOUHFOFR-OAQYLSRUSA-N 320.436 4.610 30 20 DJED N#CC1(CCCSCCCc2cccc(F)c2)CCOCC1 281821504 KFPFABQZKIHMJV-UHFFFAOYSA-N 321.461 4.592 30 20 DJED C=CCC[C@@H](N[C@@H]1CCOc2ccc(F)cc21)c1ccco1 287526776 OTMOBRJAXXNDCI-HZPDHXFCSA-N 301.361 4.539 30 20 DJED C=CCC(C)(C)C(=O)Nc1cccc(C2SCCS2)c1 292298885 PWAZGPATBHMSSJ-UHFFFAOYSA-N 307.484 4.706 30 20 DJED CCC1CCC(N(C)C(O)=Nc2cnn([C@@H](C)CC)c2C)CC1 331160754 WXEIJLBGFNPGKP-JEYLPNPQSA-N 320.481 4.609 30 20 DJED N#CC1(CSCc2cccc(Br)c2Cl)CC1 419611278 KSFBCUMVRNAJQP-UHFFFAOYSA-N 316.651 4.639 30 20 DJED Cc1cc(C)n(-c2ccc(CSc3cccc(C#N)c3)cc2)n1 435031768 AUUJYGOEMOSHLM-UHFFFAOYSA-N 319.433 4.653 30 20 DJED C=CC[C@H](C(=O)Nc1nc(C2CCC2)cs1)c1ccccc1 436173405 GVZRPPIQKJLLNG-HNNXBMFYSA-N 312.438 4.709 30 20 DJED C=CCCCCCN(C)C(=O)c1ncccc1Oc1ccccc1 440624980 BWGJWBYTMKFBOC-UHFFFAOYSA-N 324.424 4.692 30 20 DJED Cc1ccc(C#N)cc1NC(=O)Nc1cccc2ccsc12 443861747 LZICHUPJZUIUJB-UHFFFAOYSA-N 307.378 4.725 30 20 DJED C[C@H](N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cccc(C#N)c1 479489702 NDGGPJKKMQIZHR-QMIHWGKISA-N 308.400 4.684 30 20 DJED C[C@@H](c1ccc(F)cc1)N(C)Cc1ccc(Cl)cc1C#N 480518449 ACGLEYYONVIDFI-LBPRGKRZSA-N 302.780 4.544 30 20 DJED Cc1ccccc1OCCCNc1cccc(OCCCC#N)c1 484790742 UOJCRNIKXITXGL-UHFFFAOYSA-N 324.424 4.559 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1cc2ccc(F)cc2[nH]1 488358196 QOWJJIJMSSBNEL-UHFFFAOYSA-N 321.399 4.589 30 20 DJED C=CCC(C)(C)C(=O)Nc1cc(NC(=O)CCC)ccc1Cl 494158160 ZHEJYDVUSKASIV-UHFFFAOYSA-N 322.836 4.619 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1cc(C(F)F)ccc1Cl 497395055 XMZGIFFWIHGKEH-SNVBAGLBSA-N 302.752 4.754 30 20 DJED CC[C@H](CC(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 504424978 VSGAHNCAQAEWGO-CYBMUJFWSA-N 324.449 4.631 30 20 DJED CCN(Cc1cccc(C#N)c1)[C@H](C)c1cc2ccccc2o1 513386725 PDRBZGIBXBPWCP-OAHLLOKOSA-N 304.393 4.888 30 20 DJED N#Cc1ccc(CNCCCCc2ccc(Cl)s2)c(F)c1 519703019 HZFAHIXNWCQTRD-UHFFFAOYSA-N 322.836 4.525 30 20 DJED C=CCCCCCN(C)C(=O)c1ccc(Cl)c(Cl)c1 523513402 AYOPVRINSDUOJW-UHFFFAOYSA-N 300.229 4.812 30 20 DJED C=CCCO[C@H](C)C(=O)Nc1ccc(SC2CCCC2)cc1 532503404 LJTVIAHYNNAMFL-CQSZACIVSA-N 319.470 4.641 30 20 DJED Cc1csc(-c2cccc(NCc3cccc(C#N)c3F)c2)n1 537098337 CMWDLZJGGWOOJW-UHFFFAOYSA-N 323.396 4.741 30 20 DJED C[C@@H](N[C@@H]1CC(C)(C)c2ccccc21)c1ccc(C#N)c(F)c1 538509091 YHOSNQUKOBGJFA-BFUOFWGJSA-N 308.400 4.771 30 20 DJED C[C@@H](Nc1cccc(OCCCC#N)c1)[C@H](C)c1ccccc1 539627633 BRLXNWXUDLAJDB-DLBZAZTESA-N 308.425 4.973 30 20 DJED C[C@@H](Nc1cccc(-c2nccs2)c1)c1ccc(C#N)c(F)c1 539733207 JNFJOWYMOXCMNO-GFCCVEGCSA-N 323.396 4.994 30 20 DJED N#CCC1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 543910888 DVYXAKDNWQGRMT-UHFFFAOYSA-N 319.408 4.570 30 20 DJED C=CCC[C@H](NC(=O)Nc1cccc2cc[nH]c12)c1ccccc1 548177297 JJSPLBVKUGWSHG-KRWDZBQOSA-N 319.408 4.997 30 20 DJED C=CCC(F)(F)c1nc(-c2ccc(O[C@@H](C)CC)cc2)no1 579031552 NSEQXIDDFHTQEQ-NSHDSACASA-N 308.328 4.582 30 20 DJED C[C@H](NC(=O)CCCCCC#N)c1cc2ccccc2s1 588157324 FIAGKFQHXFRKNB-ZDUSSCGKSA-N 300.427 4.553 30 20 DJED N#CCCCCCC(=O)N(c1ccc(F)cc1)C1CCCC1 588942438 XRLAJEISGXOFBD-UHFFFAOYSA-N 302.393 4.575 30 20 DJED N#CC[C@@H]1CCCN(C(=O)c2ccc(C3CCCCC3)cc2)C1 597918899 UQHUPKYXEYZDCH-INIZCTEOSA-N 310.441 4.500 30 20 DJED C[C@H](Nc1ccccc1SC[C@H](C)C#N)c1cccc(C#N)c1 600847545 VDRNUWNOQNJVCW-CABCVRRESA-N 321.449 4.983 30 20 DJED Cc1ccc2[nH]c3c(c2c1)CN(c1c(Cl)cccc1C#N)CC3 610273097 QOROQSBFAZSMBR-UHFFFAOYSA-N 321.811 4.564 30 20 DJED Cc1cc(F)ccc1-c1ccc(CN2CCC[C@](C)(C#N)C2)o1 612405950 FODKSFSUWQVJEG-LJQANCHMSA-N 312.388 4.520 30 20 DJED Cc1cc(N[C@@H](C#N)Cc2ccccc2)cc(C(F)(F)F)c1 616918301 UJFVFKIFFSUWHN-MRXNPFEDSA-N 304.315 4.561 30 20 DJED CC[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1F 618804066 JUWDVNMGUISAHM-OALUTQOASA-N 312.363 4.565 30 20 DJED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(C3CC3)cc2)s1 659115003 LZNRJLLQUWPGOD-HNNXBMFYSA-N 324.449 4.808 30 20 DJED O=C1/C(=C/c2cc(F)c(F)c(F)c2)CSc2ccc(F)cc21 727974339 JVFFSZYBYRCNPK-YCRREMRBSA-N 324.298 4.615 30 20 DJED O=C1/C(=C\c2cccc(F)c2)CCOc2c(Cl)cccc21 733748875 MAFHVAWRPRWUEY-XFXZXTDPSA-N 302.732 4.528 30 20 DJED C=CCOc1ccc(/C=C\C(=O)c2sccc2C)cc1OC 733749522 NCKVYGQNEBXHPA-ALCCZGGFSA-N 314.406 4.526 30 20 DJED CC(CCc1cccc(C)c1)=NNc1cccc(C(F)(F)F)n1 739422469 ZFNRXCYSLTVRQE-UHFFFAOYSA-N 321.346 4.829 30 20 DJED Cc1cc(C(=O)/C=C/c2ccc(O[C@@H](C)C#N)cc2)cc(C)c1F 741468760 XWEBSKCSANEVNS-PPYMECGQSA-N 323.367 4.630 30 20 DJED COCc1ccc(C=NN[C@H](C)c2ccc(C(C)C)cc2)cc1 741761476 FBBSHGSOUDZSMW-MRXNPFEDSA-N 310.441 4.641 30 20 DJED Cc1ccc2cc(C(=O)/C=C/c3cn(C)nc3C(C)(C)C)oc2c1 754830470 SBRHOKZOZMSCRH-CMDGGOBGSA-N 322.408 4.668 30 20 DJED C[C@@H](C#N)Oc1ccc(CN(C)C2CCCCCCC2)cc1 769224645 VWHPHPGLRYKKSX-INIZCTEOSA-N 300.446 4.522 30 20 DJED C#CCCCCC(=O)Nc1ccccc1N[C@@H](C)c1ccccc1 773500054 YGFQZAMYLVRCGJ-KRWDZBQOSA-N 320.436 4.992 30 20 DJED Cc1c(C(=O)/C=C\c2ccsc2Cl)cccc1[N+](=O)[O-] 790221802 FZKXEVLACLQDKB-WAYWQWQTSA-N 307.758 4.514 30 20 DJED C#CCC1(c2nc([C@@H](C)c3cccs3)no2)CCCCC1 809415851 AJEUTSCGABNPAW-ZDUSSCGKSA-N 300.427 4.508 30 20 DJED C/C(=C\c1ccccc1OC(F)F)CN(CCC#N)CC(C)C 811452846 AOHCUEKDHKKUJL-RVDMUPIBSA-N 322.399 4.563 30 20 DJED COCc1ccccc1/C=C(C)/C=C/C(=O)c1ccc(F)cc1 814187657 PUFKGQYFDLTXJL-HMYPBVIVSA-N 310.368 4.815 30 20 DJED O=C(O)c1cc(NN=C2CCCC23CCCC3)ccc1Cl 814690108 UKBKDYQSPJXBJU-UHFFFAOYSA-N 306.793 4.550 30 20 DJED C#CC[C@H](NCc1ccc(C(C)C)nc1CC)c1ccccc1 815083127 IQPLRHSSDSHSHZ-NRFANRHFSA-N 306.453 4.622 30 20 DJED CCCCC[C@@H](C)CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842942164 WLJSDDUSOIHOAL-TZMCWYRMSA-N 304.459 4.803 30 20 DJED Cc1c(C(=O)O[C@@H](C)CC(C)(C)C#N)cccc1-c1ccccn1 851208177 PDLRZZYREBANDO-AWEZNQCLSA-N 322.408 4.542 30 20 DJED FC(F)Oc1ccc2ccccc2c1C=NNc1ccccc1 916245963 PQNMFNKGEAVNAM-UHFFFAOYSA-N 312.319 4.887 30 20 DJED CC(C)Oc1cccc(CNc2cccc(Cl)c2C#N)c1 917085221 JCTYVUOEOXAQRD-UHFFFAOYSA-N 300.789 4.611 30 20 DJED Cc1cccc(C2=CCN(Cc3ccc(Cl)cc3C#N)CC2)c1 1168476929 XROHZIKDLMFGHT-UHFFFAOYSA-N 322.839 4.809 30 20 DJED N#Cc1c(F)cccc1N[C@H]1CCCC[C@@H]1Cc1ccccc1 1185254454 VLZPUIWHVGPYSS-APWZRJJASA-N 308.400 4.911 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1ccc(OCC)cc1C 1204803760 QPWRRLHQZSPTFV-UHFFFAOYSA-N 322.452 4.678 30 20 DJED CCOc1cccc(C(=O)/C=C/c2ccc(N3CCCC3)cc2)c1 1251326355 SZSNOLUSTYZLSZ-JLHYYAGUSA-N 321.420 4.582 30 20 DJED CCOCc1ccc(N[C@H]2CCCc3cc(C#N)ccc32)cc1 1254231442 WLQGZXWWZQIWFG-FQEVSTJZSA-N 306.409 4.584 30 20 DJED CC(C)(CCc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 1257951511 QONMBNDQKPHPRR-UHFFFAOYSA-N 317.392 4.519 30 20 DJED C[C@H]1CC(C)(C)CC[C@H]1Nc1c(Br)cccc1C#N 1458227439 DQDJYLGAUFEALK-SMDDNHRTSA-N 321.262 4.947 30 20 DJED Cc1cc(C)cc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c1 1458457371 VMMCAFLEDKZYLJ-UHFFFAOYSA-N 312.438 4.786 30 20 DJED CC[C@@H](c1ccccc1)[C@H]1CCCN1CCc1ccc(C#N)cc1 1459653050 NQMUNUUPNVXNRL-FCHUYYIVSA-N 318.464 4.759 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2ccc3c(c2)-c2ccccc2C3)c1 1460865197 YLJPELSFCWCLIO-UHFFFAOYSA-N 324.383 4.690 30 20 DJED N#Cc1ccc(SCc2ccc(-c3ccsc3)cc2)nc1 1472974797 PKJWESTVLNHDKP-UHFFFAOYSA-N 308.431 4.974 30 20 DJED CCN(C(=O)c1cccc(C(C)C)c1)[C@@H](C)c1ccc(C#N)cc1 1533973937 ORUADHAAHRVUPK-INIZCTEOSA-N 320.436 4.905 30 20 DJED CC(C)(C)[C@H]1CCCC[C@@H]1CNc1nc(Cl)c(C#N)s1 1559089715 VXXIBVHTJHGUCP-MNOVXSKESA-N 311.882 4.933 30 20 DJED C[C@H](CC#N)Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 1611964798 JYBPKSCWCGIZMQ-GFCCVEGCSA-N 322.799 4.664 30 20 DJED N#Cc1ccc(SCC(=O)c2c(Cl)cccc2Cl)cc1 1613488268 AYZSJRSVYSIHST-UHFFFAOYSA-N 322.216 4.840 30 20 DJED CC(C)N(Cc1cccc(C(F)(F)F)c1)CC1(CC#N)CC1 1615342890 MRZGHPVSTFRNAC-UHFFFAOYSA-N 310.363 4.610 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2 1615387758 NRZDWQOMLAHTHV-YRLHULLVSA-N 308.469 4.657 30 20 DJED CCC(CC)(CC)SCc1cccc(C(=O)OC)c1C#N 1641057695 DOOPXXFMAGKEHW-UHFFFAOYSA-N 305.443 4.547 30 20 DJED CC(C)N(CCC(C#N)(c1ccccc1)c1ccccc1)C1CC1 1641641682 JLCMIQBPMYMWPQ-UHFFFAOYSA-N 318.464 4.759 30 20 DJED C[C@@H]1C[C@@H](c2ccccc2)CN1c1nc(C(C)(C)C)ccc1C#N 1642262357 HFMUMJVULWVNQN-CRAIPNDOSA-N 319.452 4.633 30 20 DJED CCCCN(CCOc1cccc(C#N)c1)[C@H]1CCC[C@@H](C)C1 1643245080 CTGZFSIRRBHZQB-MJGOQNOKSA-N 314.473 4.618 30 20 DJED CC(C)(C)c1ccc(C#N)c(NCc2cc(C3CC3)ccc2F)n1 1651095773 CUUICOCVRXTGSM-UHFFFAOYSA-N 323.415 4.879 30 20 DJED CCc1ccc(C2=CCN(Cc3cccc(F)c3C#N)CC2)cc1 1657723309 BYFOTTUIYKSXHD-UHFFFAOYSA-N 320.411 4.549 30 20 DJED C=C(CNC(=O)N[C@H](c1ccccc1)C(C)(C)C)c1ccccc1 1675559430 FNCSIWZZIVPQLO-LJQANCHMSA-N 322.452 4.786 30 20 DJED CN(C(=O)Nc1cc(F)cc(C#N)c1)c1cccc2ccccc12 1679890590 NOJIXWQCOVWEFZ-UHFFFAOYSA-N 319.339 4.519 30 20 DJED CC[C@H]1CCC[C@@H](C=NNc2ccc(Cl)c(C(=O)O)c2)C1 1776033574 CEUPVSJPSSPXSS-NWDGAFQWSA-N 308.809 4.652 30 20 DJED O=C(O)c1cccc(/C=C\C(=O)c2cccc(Cl)c2Cl)c1 1777685383 RHHJRHVWJJPGGB-FPLPWBNLSA-N 321.159 4.588 30 20 DJED CC(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 60722041 NQKPAZIZJVPAFJ-MRXNPFEDSA-N 312.800 4.590 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1sccc1C(C)C 64719301 OLAIJZXBMSECGL-UHFFFAOYSA-N 305.468 4.761 30 20 DJED N#Cc1cccc(CSCc2coc(-c3ccccc3)n2)c1 73449077 QMBZCHWYSQNDHR-UHFFFAOYSA-N 306.390 4.647 30 20 DJED CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OC 83194293 WERULYZOLRSUSL-CSKARUKUSA-N 310.393 4.607 30 20 DJED COc1cc(Cl)c(Cl)cc1NCc1ccc(C#N)s1 191677774 UZVMEJODDZMZCF-UHFFFAOYSA-N 313.209 4.547 30 20 DJED Cc1ccc(-c2nc(/C=C/c3ccc(C#N)cn3)cs2)cc1 193691811 GKKHHLQNCOIIPN-CMDGGOBGSA-N 303.390 4.556 30 20 DJED C[C@@H](SCCOc1ccccc1C#N)c1cccc(F)c1 195594920 JATYQJCXEHFTBK-CYBMUJFWSA-N 301.386 4.571 30 20 DJED C=CCN(CCc1ccccc1)C(=O)c1csc2ccccc12 195721606 CERYCXVTVJRPSX-UHFFFAOYSA-N 321.445 4.772 30 20 DJED CC(C)(CCC#N)CNCC1(c2cccs2)CCCCC1 236817495 KGAHOXLYNKEQPV-UHFFFAOYSA-N 304.503 4.870 30 20 DJED N#Cc1ccc(COc2ccc(Br)c(Cl)c2)cc1 313521804 NVAWLYNDLLWYFT-UHFFFAOYSA-N 322.589 4.553 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@@H]2/N=C(/O)[C@@H]1CCC(=O)[C@@H](C)C1 328943204 UJLSDAJQNUSKRV-LNSITVRQSA-N 317.429 4.563 30 20 DJED C=CCc1cccc(F)c1OCc1csc([C@@H](C)OCC)n1 424105119 UWUYVYUTDFROOO-GFCCVEGCSA-N 321.417 4.687 30 20 DJED Cc1nc(C(C)C)oc1CN(CC(C)C)c1ccc(C#N)cc1 428383199 LNNKWFDSOLTUOP-UHFFFAOYSA-N 311.429 4.641 30 20 DJED N#Cc1ccccc1SCc1cc(Br)ccc1F 439715202 NFWZOZIVUIPJMQ-UHFFFAOYSA-N 322.202 4.752 30 20 DJED CC[C@@H](N[C@H]1CCCOc2c(F)cccc21)c1ccc(C#N)cc1 447592958 OYZNZWIZUVVYCK-MOPGFXCFSA-N 324.399 4.652 30 20 DJED C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CC(C)(C)C#N 462650780 SNAJQRVOTLFVJG-QGZVFWFLSA-N 320.436 4.716 30 20 DJED CC(C)Oc1c(Cl)cccc1NCc1ccc(F)c(C#N)c1 467768156 GUFCEBASQMEYLW-UHFFFAOYSA-N 318.779 4.750 30 20 DJED CCC(C)(C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 472741523 VMETXARVZLOTLK-UHFFFAOYSA-N 323.396 4.661 30 20 DJED CCCC[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)C1CCC1 476305382 OFRBSOZZOABNEC-MOPGFXCFSA-N 312.457 4.549 30 20 DJED C=CCCC1(C(=O)Nc2ccc(Sc3ccncc3)cc2)CC1 476443948 SDFOZJYVUKEOHV-UHFFFAOYSA-N 324.449 4.918 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N1CC(C2CCC2)C1 482167326 HAQXOGQTARSIAT-UHFFFAOYSA-N 312.457 4.802 30 20 DJED C=CCSc1ccccc1C(=O)Nc1nc(C2CC2)cs1 485765858 YOTCMJSNSCSPOF-UHFFFAOYSA-N 316.451 4.551 30 20 DJED N#Cc1c(F)cccc1N1CCC[C@H]1c1cccc(Cl)c1 506879406 WAWBAKKLPTWTFS-INIZCTEOSA-N 300.764 4.692 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1cc2cccc(C)c2s1 516110281 CLSGMTZTNXWOMJ-UHFFFAOYSA-N 306.390 4.642 30 20 DJED CC(C)Oc1ccc(C#N)cc1N[C@H](C)c1cc(F)ccc1F 518743923 PZJYBMJDMVRRQG-GFCCVEGCSA-N 316.351 4.797 30 20 DJED CCCc1ccccc1NCc1cccc(OCCCC#N)c1 533212514 FOVOBDWKMIIOIQ-UHFFFAOYSA-N 308.425 4.934 30 20 DJED C[C@H](N[C@H]1c2cccc(F)c2CC[C@@H]1C)c1ccc(C#N)cc1 538393896 UQPPPPCJPLSLQF-PJSUUKDQSA-N 308.400 4.672 30 20 DJED C[C@H](N[C@@H]1c2cccc(F)c2CC[C@@H]1C)c1ccc(C#N)cc1 538393897 UQPPPPCJPLSLQF-YRVVQQKDSA-N 308.400 4.672 30 20 DJED C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccccc1C(F)(F)F 539342933 MMCLRFSWLNWXHK-LLVKDONJSA-N 322.305 4.567 30 20 DJED CC(C)[C@H](NCc1ccccc1C#N)c1ccc(Cl)cc1F 541988492 IHMSNMLFYVNUDE-SFHVURJKSA-N 316.807 4.838 30 20 DJED C=CCOc1ccc(CN[C@H](C)c2csc(Cl)c2)cc1 556914672 AUFTUOMCVLEBLX-GFCCVEGCSA-N 307.846 4.817 30 20 DJED N#Cc1ccnc(Oc2cnc3ccc(Cl)cc3c2)c1Cl 557673786 UGLKZGNSMUHHHB-UHFFFAOYSA-N 316.147 4.601 30 20 DJED Cc1csc2c(Oc3ccc(C#N)c4ccccc34)ncnc12 559008222 RWASYCOUPUMEEW-UHFFFAOYSA-N 317.373 4.817 30 20 DJED C=C(C)CN(CC)C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 590015652 WGGARVKIFNZKTR-STQMWFEESA-N 312.240 4.522 30 20 DJED N#CC1(CC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)CCCCC1 597489505 SCPVKSCBHAACMM-TZZQJPOUSA-N 322.452 4.555 30 20 DJED CN(C(=O)Nc1cccc(C#Cc2cccs2)c1)C1CCCC1 604152143 YSHPGCIRXFSSIG-UHFFFAOYSA-N 324.449 4.554 30 20 DJED CSCc1cccc(N[C@H]2CCCc3cc(C#N)ccc32)c1 611482728 YPEYYQNHBCYHAN-IBGZPJMESA-N 308.450 4.911 30 20 DJED C#Cc1cccc(N(CC)C(=S)Nc2ccc(C)c(C)c2)c1 728447631 KLRQIPDAXNVPSG-UHFFFAOYSA-N 308.450 4.508 30 20 DJED O=C(/C=C\c1coc(-c2ccccc2)n1)c1ccc(Cl)cc1 731835852 STIYAQAJCPFRLS-KHPPLWFESA-N 309.752 4.891 30 20 DJED C#CCOc1ccc(CN[C@@H](CC)c2ccc(Cl)cc2)cc1 733323994 CNMIPCAEQNAJQA-IBGZPJMESA-N 313.828 4.593 30 20 DJED CCCCCCC[C@H](C)CNC(=O)N1CCC[C@H]1c1ccc[nH]1 734269097 FRMWLFAONDUNPD-WMZOPIPTSA-N 319.493 4.858 30 20 DJED Cc1nc(C)c(C=NN(Cc2ccccc2)c2ccccc2)s1 736428102 FXDBXQCLOCTNBO-UHFFFAOYSA-N 321.449 4.801 30 20 DJED O=C(/C=C/c1ccc(F)cc1)c1cccc(-c2ccncc2)c1 741472222 GFHKPSDKPLJASJ-RMKNXTFCSA-N 303.336 4.784 30 20 DJED C#Cc1cccc(N(C(=O)c2cc3cccc(F)c3o2)C(C)C)c1 741918901 GWDZHYIUNPBSLQ-UHFFFAOYSA-N 321.351 4.608 30 20 DJED COc1cc(C(C)=NNc2ccc(F)cc2F)ccc1SC 747601666 DTKIPZCLVCHVOI-UHFFFAOYSA-N 322.380 4.531 30 20 DJED C#CCCCCNC(=O)Nc1ccc(S[C@@H](C)CC)cc1C 758586457 KQUGFRSIRFXDLR-HNNXBMFYSA-N 318.486 4.811 30 20 DJED C=C[C@@H](CC(=O)N(CCC#N)c1ccc(C)cc1)c1ccccc1 758817185 PBUHEJKRVIADAO-SFHVURJKSA-N 318.420 4.602 30 20 DJED CCOc1ccc(C(=O)/C=C\c2cnc(C3CCC3)s2)cc1 760262025 IIQLGAXQPTYXBY-KHPPLWFESA-N 313.422 4.705 30 20 DJED O=C(/C=C\c1ccsc1)c1ccc(Br)c(F)c1 767738214 XEVLGERKOQCHBW-RJRFIUFISA-N 311.175 4.546 30 20 DJED CC[C@@H](Nc1ccc2c(c1)OC(C)(C)O2)c1ccc(C#N)cc1 774323649 OJQPPJRKABJBMM-MRXNPFEDSA-N 308.381 4.629 30 20 DJED CC(=O)Nc1ccc(C(=O)/C=C\c2cccc3ccccc23)cc1 781553460 SBHYYLAVZKREMU-KAMYIIQDSA-N 315.372 4.694 30 20 DJED C=C[C@@H](CC(=O)O[C@@H](C)c1nc2ccccc2o1)c1ccccc1 781810430 BSOXUBUGIZJOKA-GJZGRUSLSA-N 321.376 4.792 30 20 DJED C[C@@H](CCc1ccccc1)OC(=O)C[C@@H](CC#N)c1ccccc1 795983961 QQUODZUWCQLRNF-FXAWDEMLSA-N 321.420 4.638 30 20 DJED N#C[C@@H]1CC[C@H](Nc2ccc3cc(Br)ccc3c2)C1 799734843 OYLPPFWUMLHPHJ-ABAIWWIYSA-N 315.214 4.706 30 20 DJED CCCC[C@@H](CC)CC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842940915 FUEOGVNTBYBRND-OCCSQVGLSA-N 304.459 4.803 30 20 DJED C=CCCCCC[C@@H](C)N[C@@H](C(=O)O)c1cc(C)cc(C)c1 901532943 YMNIOWYWWGCKPD-SJLPKXTDSA-N 303.446 4.544 30 20 DJED C=CCOc1ccc(C(=O)N(CC)c2ccc(C)cc2C)cc1 914514156 RHLBJAYNPKFMLE-UHFFFAOYSA-N 309.409 4.535 30 20 DJED CCCCCCCC(=O)Nc1cccc(-c2ccnc(C)n2)c1 914738780 FYTQQQIUWFDHJW-UHFFFAOYSA-N 311.429 4.751 30 20 DJED C#Cc1cccc(NC(=O)N2CCCCC[C@@H]2c2ccccc2)c1 916673967 YQTLWTJCAASHRW-HXUWFJFHSA-N 318.420 4.817 30 20 DJED CCC[C@@H](CC1CCCC1)C(=O)Nc1cc(F)cc(C#N)c1 1132445257 CASAUFADOIXWIY-HNNXBMFYSA-N 302.393 4.632 30 20 DJED CCC(C)(C)c1ccc(Oc2cc(C#N)nc(C)n2)c(Cl)c1 1162748943 BTCLTCXGNVMDQO-UHFFFAOYSA-N 315.804 4.790 30 20 DJED C=C(Br)CN1CCC[C@H]1c1cccc2ccccc12 1190502869 GJBIAWNAHSXHTD-KRWDZBQOSA-N 316.242 4.885 30 20 DJED Cc1ccc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)cc1 1274493799 ZSFAKSPUYSVSRE-STQMWFEESA-N 324.449 4.866 30 20 DJED CC(C)(C#N)CCCN1CCC(Cc2cc(F)ccc2F)CC1 1307837591 WJKNDCDQTCWVIG-UHFFFAOYSA-N 320.427 4.549 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@@H]1[C@@H](C)c1ccccc1 1308100147 WMNKEZFBSWDASJ-LAUBAEHRSA-N 304.437 4.635 30 20 DJED N#Cc1ccc(-c2nnc(-c3ccc(C4CCC4)cc3)o2)cc1 1328505705 PVCDDLAVGIICKK-UHFFFAOYSA-N 301.349 4.543 30 20 DJED CC[C@@H](C#N)[C@H](OC(=O)c1ccc(SC)o1)c1cccs1 1345148366 VWTNLRIDLHOJNT-HZMBPMFUSA-N 321.423 4.511 30 20 DJED CCc1cccc(N(C(=O)CC(C)(C)C#N)[C@H]2C[C@H]3CC[C@H]2C3)c1 1456724544 DRONVLQJSJYHJF-LNLFQRSKSA-N 324.468 4.710 30 20 DJED CCN(C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1)c1ccc(C#N)c(Cl)c1 1458034148 IDMJQTWQJXIDMZ-MELADBBJSA-N 318.848 4.637 30 20 DJED N#Cc1ccc(CNC[C@@H]2CCCC[C@@H]2c2ccccc2)cc1 1461510415 FSDGNGPFILPBTP-LEWJYISDSA-N 304.437 4.622 30 20 DJED CCN(Cc1ccc(C#N)cc1C)c1ccc(Cl)cc1F 1473423232 KSXXSSPBUUGJCO-UHFFFAOYSA-N 302.780 4.686 30 20 DJED CCO[C@@H]1C[C@@H](NCCC2(C#N)CCCCC2)C12CCCCC2 1473448741 VNARVRVDUUZPBK-QZTJIDSGSA-N 318.505 4.568 30 20 DJED C[C@H](Oc1ccccc1N[C@H](C)CC(C)(C)C#N)C(F)(F)F 1474565276 SPIHRKBDSFSYCD-NEPJUHHUSA-N 314.351 4.756 30 20 DJED Cc1sc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c(C#N)c1C 1529477610 KVIJXIJRPVUQNE-SOUVJXGZSA-N 316.470 4.782 30 20 DJED C[C@@H](OC(=O)[C@@H]1CCC[C@H]1c1ccccc1)c1cccc(C#N)c1 1534857460 QMWFVTJRMHCJKY-UIAACRFSSA-N 319.404 4.746 30 20 DJED N#Cc1cccc(Br)c1Oc1cccc(Cl)c1 1559053590 XGDFUKUVWFPCLS-UHFFFAOYSA-N 308.562 4.766 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@H]1CNc1nc(Cl)c(C#N)s1 1559089717 VXXIBVHTJHGUCP-WDEREUQCSA-N 311.882 4.933 30 20 DJED CCCc1ccc(C(=O)CSc2cccc(F)c2C#N)cc1 1641163048 RCEDMASESMBZKA-UHFFFAOYSA-N 313.397 4.625 30 20 DJED N#Cc1nc(N[C@H]2CCC[C@@H](c3ccccc3)C2)sc1Cl 1642666340 CKASTPIVMFCBNR-OLZOCXBDSA-N 317.845 4.806 30 20 DJED Cc1ccc([C@H]2[C@@H](C)CCCN2c2cc(C)c(C#N)cn2)cc1 1650798674 OGELWZPTALOZDK-MGPUTAFESA-N 305.425 4.548 30 20 DJED Cc1c(Cl)cnc(N(C)Cc2ccc3ccccc3c2)c1C#N 1651293507 KEWGPHRWCKKQDC-UHFFFAOYSA-N 321.811 4.705 30 20 DJED CC(C)(C)c1ccc(C#N)c(NCCc2ccc(Cl)cc2)n1 1654893854 WTEMCWINWLFFFG-UHFFFAOYSA-N 313.832 4.559 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1OC(F)F)c1ccccc1 1657586791 QUKVZZNJVSGBIH-UHFFFAOYSA-N 316.351 4.575 30 20 DJED COc1cc(C#N)ccc1CN1CCC[C@H]1c1cc(C)ccc1C 1657792828 TUFQABOXIPANOC-FQEVSTJZSA-N 320.436 4.521 30 20 DJED CC[C@H](CN(Cc1ccc(C#N)cc1)C(C)C)c1ccccc1 1658863541 OSMINONXFKVINW-HXUWFJFHSA-N 306.453 4.962 30 20 DJED CC(C)c1cccc(/C=C2\C[C@H](C(=O)O)c3ccccc3C2=O)c1 1776375973 OIZPSOKPWQJYEA-SKTWIKFTSA-N 320.388 4.648 30 20 DJED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(C)(C)C#N 76183218 CMAJIAMLOJJKCS-OAHLLOKOSA-N 322.408 4.623 30 20 DJED Cc1ccc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)cc1[N+](=O)[O-] 90664803 BSAJBYLLUXFAGV-QAPCUYQASA-N 323.396 4.599 30 20 DJED N#CCC[C@@H](NCc1cccc(C(F)(F)F)c1)c1ccccc1 130461934 VRVRWXZMKQFKPV-QGZVFWFLSA-N 318.342 4.840 30 20 DJED C[C@H](C#N)Oc1ccc(CNc2cccc(C(F)(F)F)c2)cc1 157719420 BXVJBUNENHBHOQ-GFCCVEGCSA-N 320.314 4.608 30 20 DJED C[C@H](Nc1cccc(CN2CCCCC2)c1)c1cccc(C#N)c1 179752574 XOYQTISELRLBPX-KRWDZBQOSA-N 319.452 4.717 30 20 DJED C[C@H](C#N)Oc1ccccc1NCc1cc2ccccc2s1 181130655 FFILWRIECMFDLG-CYBMUJFWSA-N 308.406 4.804 30 20 DJED CC(C)Oc1ccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)cc1 192971313 QNTGDDRQHVUJRO-HZPDHXFCSA-N 308.425 4.757 30 20 DJED C[C@H](Nc1cc2ccccc2c(Cl)n1)c1ccc(C#N)cc1 301083015 LIUHVXNFYUUOEU-LBPRGKRZSA-N 307.784 4.933 30 20 DJED OC(C[C@H]1C=CCCC1)=Nc1cc2c(cc1F)CCC(O)=N2 330180665 GCBOGWUTXFUKNE-NSHDSACASA-N 302.349 4.694 30 20 DJED CC(=O)c1c(C)[nH]c(/C(O)=N/[C@H]2CC[C@H](C)CC2)c1C(C)C 330388473 CWUNENKOCKPUMB-YEORSEQZSA-N 304.434 4.532 30 20 DJED CC(C)CCN(CCC#N)Cc1cc(Cl)cc2cccnc12 353420379 GEODBVDDAPSZIB-UHFFFAOYSA-N 315.848 4.650 30 20 DJED CC[C@@H](CC(C)C)C(=O)Nc1ccccc1SC[C@H](C)C#N 410456716 IBNUPEYEECBGNZ-CABCVRRESA-N 318.486 4.949 30 20 DJED CC[C@H](Nc1cccc(OCCCC#N)c1)c1ccc(C#N)cc1 447573573 IJGAGSRQPMFGDM-FQEVSTJZSA-N 319.408 4.804 30 20 DJED CCC[C@H]1CCC[C@H]1C(=O)Nc1ccccc1SCCC#N 448936075 CZEVJTVJJLPLQE-LSDHHAIUSA-N 316.470 4.847 30 20 DJED C=CCC(CC=C)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 467747385 QMNCUDXGYYJVHP-GFCCVEGCSA-N 311.347 4.651 30 20 DJED CC(C)c1ccc(C(=O)N(C)c2ccccc2C#N)cc1Cl 467962576 GOGIKQRCEOXBDK-UHFFFAOYSA-N 312.800 4.612 30 20 DJED CCN(CCC#N)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 470170198 QFVHNRYYEKOIAD-MRXNPFEDSA-N 308.425 4.659 30 20 DJED N#CC[C@@H](CC(=O)Nc1cc(Cl)ccc1F)c1ccccc1 474430426 GWCMBTAATBCOOF-ZDUSSCGKSA-N 316.763 4.505 30 20 DJED CCCC(C#N)(CCC)NC(=O)C[C@H](CC)c1ccccc1 475740644 SZBOKYBEFZQDRL-INIZCTEOSA-N 300.446 4.549 30 20 DJED CSc1ccc(CSc2ccc(Cl)c(C#N)n2)cc1 480819474 HUXRCXQYAXGOEP-UHFFFAOYSA-N 306.843 4.621 30 20 DJED Cc1nc2cc(Cl)c(N[C@@H]3CCC[C@H](C#N)C3)cc2s1 482079387 RIGGRNTZLGNNKX-WDEREUQCSA-N 305.834 4.752 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)CC1CCCC1 510833677 BQZNXDHTMSYFLH-INIZCTEOSA-N 312.457 4.512 30 20 DJED N#Cc1ccccc1Oc1ccc(NC(=O)C2=CCCCC2)cc1 527108822 VGLAVMAECYQOJK-UHFFFAOYSA-N 318.376 4.789 30 20 DJED C=C[C@H](CC(=O)N(C)c1ccccc1SC)c1ccccc1 536297528 KBJPCNCEOGOJMQ-OAHLLOKOSA-N 311.450 4.731 30 20 DJED C=C(CC)CSCC(=O)Nc1cccc(Cl)c1Cl 537992763 BKVHYHUKWOXQJH-UHFFFAOYSA-N 304.242 4.631 30 20 DJED CC[C@H](C)n1ncc(N[C@H](C)c2cccc(C#N)c2)c1C1CC1 539681528 OAJRHGLEADIENJ-UONOGXRCSA-N 308.429 4.776 30 20 DJED COc1cc(F)c(F)cc1N[C@@H](C)c1ccc(C#N)cc1Cl 578179192 KVXQLTCUUGNCHG-VIFPVBQESA-N 322.742 4.672 30 20 DJED Cc1c(COC(C)(C)C)cccc1NC(=O)CCCCCC#N 588160307 AYMRHVKANMDTMC-UHFFFAOYSA-N 316.445 4.723 30 20 DJED CCC(C#N)(CC)C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 598968999 GZXFAIQMRLJRGK-SNVBAGLBSA-N 313.228 4.501 30 20 DJED C(/C=C\c1ccco1)=NN(Cc1ccccc1)c1ccccc1 606375854 CVGWGOWFQXWEMM-VDAFAISQSA-N 302.377 4.985 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc(OCC)c(Cl)c1 606942349 SHGPVQNUXMQJJH-UHFFFAOYSA-N 324.852 4.949 30 20 DJED CCN(C(=O)c1ccc(-c2ccco2)s1)c1ccc(C#N)cc1 611073613 FDRROMAGBNTCSA-UHFFFAOYSA-N 322.389 4.546 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(F)cc1OC1CCCC1 676286620 ZSQUZSZSACTPOR-UHFFFAOYSA-N 317.404 4.854 30 20 DJED CC1=C(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)CCC1 747210814 PZGNXPZWJXKWFZ-GFCCVEGCSA-N 316.813 4.626 30 20 DJED C=CCn1c(SCc2cccnc2Cl)nc2ccccc21 750825100 MBVAVGZOXANLRL-UHFFFAOYSA-N 315.829 4.563 30 20 DJED CC(C)c1nc(C(=O)/C=C\c2ccccc2C(F)(F)F)co1 752889693 OBLSYYKIFXXHLI-FPLPWBNLSA-N 309.287 4.713 30 20 DJED C#CC[C@H](N[C@@H](C)c1cc(C)c(OC)cc1C)c1ccccc1 753690571 UVSPAIGCZLPVSU-PXNSSMCTSA-N 307.437 4.727 30 20 DJED CC(C)CCCCCC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 767983820 QBDFFRJCFLHXRU-UHFFFAOYSA-N 324.468 4.780 30 20 DJED Cc1ccc(C)c(SCC(=O)OCCCCC(C)(C)C#N)c1 768374451 DNVREINZUJJPSG-UHFFFAOYSA-N 319.470 4.659 30 20 DJED CC(=NNc1cc(C)c2cc(Cl)ccc2n1)c1cnccc1C 771549346 AWJZXJAQVUMDJO-UHFFFAOYSA-N 324.815 4.736 30 20 DJED COc1cc(C)c(N[C@H]2CCCc3cc(C#N)ccc32)cc1F 775565580 MQFYNQQJRABBNR-KRWDZBQOSA-N 310.372 4.504 30 20 DJED C=CC[C@H](C(=O)OCc1cccc2cccnc12)c1ccccc1 778419100 VZNSZQVUOJNCBY-IBGZPJMESA-N 317.388 4.638 30 20 DJED Cc1cc(/C=C2\CCc3sccc3C2=O)cc2cccnc12 783705766 CRPPJWUXLQXKKI-RVDMUPIBSA-N 305.402 4.817 30 20 DJED CCCCCCCC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 786316177 OPOWNYOZSIVDBP-JTQLQIEISA-N 322.396 4.700 30 20 DJED CCC[C@H](N[C@H](CC)c1ccc(C#N)cc1)[C@H](O)c1ccccc1 794830189 HWRCPYJWTZDJKC-QHAWAJNXSA-N 322.452 4.501 30 20 DJED CC(C)(C)SCCCOC(=O)C[C@H](CC#N)c1ccccc1 796807776 OTXXZMWVUWPGSC-INIZCTEOSA-N 319.470 4.539 30 20 DJED CCCCCCCCC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O 799055837 SIGLSKGNNWGGJS-FCGDIQPGSA-N 323.521 4.525 30 20 DJED Cc1cc(C(=O)/C=C/c2ccc(C(F)(F)F)s2)oc1C 799898289 XJIXCMKAECYRRG-HWKANZROSA-N 300.301 4.873 30 20 DJED C#CC[C@@H](N[C@@H](CC)c1cccc(Cl)c1O)c1ccccc1 806149129 PNJCKGJVNILVMS-ZWKOTPCHSA-N 313.828 4.851 30 20 DJED O=C1/C(=C\c2ccc3ccccc3c2)Cc2nc(Cl)ccc21 806579507 IUQGCVKGXJQIPP-GDNBJRDFSA-N 305.764 4.711 30 20 DJED C=CCCCCCCCCNC(=O)N1CCC[C@H]1c1ccc[nH]1 807592910 VNYQCVXUBYSNBQ-SFHVURJKSA-N 317.477 4.778 30 20 DJED C#C[C@@H](NCc1ncc(C(C)C)s1)c1ccc(Cl)cc1F 809699377 NSSPHUMMQPIJDY-CQSZACIVSA-N 322.836 4.523 30 20 DJED C/C=C/C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 916056720 GPTGMTGDPLWGEM-MRKPZDFFSA-N 310.784 4.510 30 20 DJED Cc1ccccc1C(=O)/C=C\c1ccccc1Br 916155363 AGEYSXOPTPQITG-KHPPLWFESA-N 301.183 4.654 30 20 DJED CC(=NNc1ccc(Cl)cc1)c1cccc(OC(F)F)c1 916246474 AOCBZNQBAXOSCF-UHFFFAOYSA-N 310.731 4.778 30 20 DJED COc1ccc(C(C)=NNc2ccccc2C(F)(F)F)cc1 916259778 KAEAEVQCICXYPK-UHFFFAOYSA-N 308.303 4.550 30 20 DJED FC(F)(F)c1cnc(NN=C[C@@H]2CC=CCC2)c(Cl)c1 916286799 WGOCZYWENLTCKL-SECBINFHSA-N 303.715 4.508 30 20 DJED O=C1/C(=C\c2ccccc2OC2CCCC2)Cc2c(O)cccc21 920065738 ITZIKVSXTKNXQR-QINSGFPZSA-N 320.388 4.536 30 20 DJED Cc1cc(Oc2ccc(SC(F)(F)F)cc2)c(C#N)cn1 1186388443 RVZGERKDYMREBS-UHFFFAOYSA-N 310.300 4.666 30 20 DJED CC(=NNc1ccc(C(C)(C)C)nn1)c1cc(C)c(C)cc1C 1251931082 HGVLBVKNRYGIHF-UHFFFAOYSA-N 310.445 4.535 30 20 DJED C=C(CNc1nc(C)nc2sc3c(c12)CCC3)c1ccccc1 1307134739 FGAGXHDDQAYDFK-UHFFFAOYSA-N 321.449 4.614 30 20 DJED CCCCN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCC[C@H](C)C1 1310075906 ATDDILNGOCZONA-YJBOKZPZSA-N 313.445 4.771 30 20 DJED C#Cc1cccc(N(C)C(=O)c2ccc(-c3ccccc3)s2)c1 1318306028 ASIOOLUGAZTBBU-UHFFFAOYSA-N 317.413 4.673 30 20 DJED Cc1ccc(-c2ccc(CNc3ccc(OCC#N)cc3)o2)cc1 1318504484 OLOJDBJZFDTGLB-UHFFFAOYSA-N 318.376 4.770 30 20 DJED N#Cc1ccc(-c2nc(-c3cc4ccccc4o3)no2)cc1Cl 1325516299 OAPHTPRUIKDXBK-UHFFFAOYSA-N 321.723 4.675 30 20 DJED CCN(C(=O)CCCC1CCCC1)c1ccc(C#N)c(Cl)c1 1356458474 OTFJUIFNWKZMHJ-UHFFFAOYSA-N 318.848 4.925 30 20 DJED Cc1cc(C#N)cc(NCc2ccc(-c3ccncc3)cc2F)c1 1474179221 KFNOZWGFNMVSHD-UHFFFAOYSA-N 317.367 4.680 30 20 DJED C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC3(C)C)c2C#N)C1 1530057052 FMWHQJCNLNHJBV-BXUZGUMPSA-N 316.470 4.509 30 20 DJED N#Cc1nc(NC2CCC3(CCCCC3)CC2)ccc1Cl 1559166453 MQBIHPBDGLOLOW-UHFFFAOYSA-N 303.837 4.912 30 20 DJED CC(C)(C#N)CCCN1CC2(CCCC2)c2cccc(F)c21 1559746624 GDACMSPZZOGASY-UHFFFAOYSA-N 300.421 4.787 30 20 DJED CC(C)[C@@H](NCc1cc(C#N)ccn1)c1ccc(C(C)(C)C)cc1 1642852370 OYOKJACOOPYPSO-HXUWFJFHSA-N 321.468 4.738 30 20 DJED C[C@H](c1cccc(C#N)c1)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 1645409549 GDTZOOCHAPLWKW-NPFVIJTESA-N 314.432 4.940 30 20 DJED COc1cc(OCC2CCC(C(C)(C)C)CC2)ccc1C#N 1652807587 ORCCXMFMSXGUKV-UHFFFAOYSA-N 301.430 4.798 30 20 DJED C[C@H](N[C@@H]1CC[C@@H](Cc2ccccc2)C1)c1cccc(C#N)c1 1653101536 XARVSWFFBRRJEA-DJPFJPOOSA-N 304.437 4.620 30 20 DJED CN(Cc1ccc(F)c(Cl)c1)Cc1ccc(C#N)cc1Cl 1653289799 WVFXWCJNXCEGAD-UHFFFAOYSA-N 323.198 4.636 30 20 DJED Cc1cc(Oc2ccc(Cc3ccccc3)cc2)ncc1C#N 1655083295 LVKDBGDLPJUBJU-UHFFFAOYSA-N 300.361 4.645 30 20 DJED C[C@H](N[C@@H]1CSC[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 1658829912 KZSHCOLDZWKIEK-QEEYODRMSA-N 322.477 4.627 30 20 DJED O=C(O)c1ccc(-c2ccc(/C=C/C(=O)c3ccco3)s2)cc1 1777671123 FVTQSAGCVLLECO-VQHVLOKHSA-N 324.357 4.602 30 20 DJED CCc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1 66157821 YUURZDFIYSEBFJ-UHFFFAOYSA-N 321.424 4.563 30 20 DJED C[C@H](NCc1ccc(Cl)cc1C#N)c1ccccc1Cl 187193045 QMFJQACMIYCVCS-NSHDSACASA-N 305.208 4.716 30 20 DJED Cc1cccc([C@H](Nc2ccc(C#N)cc2F)c2ccccn2)c1 301905275 YMVLXRBRUAGFJF-FQEVSTJZSA-N 317.367 4.602 30 20 DJED Cc1c(Cl)cccc1N/C(O)=N/[C@@H]1CCO[C@H](CC(C)C)C1 330711598 YCACLXBILNKDGH-ZIAGYGMSSA-N 324.852 4.568 30 20 DJED CC(C)N(C(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1 355811907 LMJAARRTKSAYEB-GOSISDBHSA-N 306.409 4.516 30 20 DJED N#CCc1ccc(COc2ccc(Cl)c3cccnc23)cc1 398994400 OHXKVCSRBLLUJQ-UHFFFAOYSA-N 308.768 4.533 30 20 DJED C=CCCC1(C(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)CC1 412662468 AYMPXALBKFJUSD-SFHVURJKSA-N 309.453 4.529 30 20 DJED CC[C@@H](N[C@@H](CC(F)F)c1ccccc1)c1ccc(C#N)cc1 421879658 PJLSVPADDFJOBB-MSOLQXFVSA-N 314.379 4.995 30 20 DJED N#Cc1csc(C(=O)Nc2cccc(Oc3ccccc3)c2)c1 437298872 NVQILKJMTAEPDO-UHFFFAOYSA-N 320.373 4.664 30 20 DJED CC[C@H](Nc1ccc(N2CCCCC2)nc1)c1ccc(C#N)cc1 447596614 QJKIDBWVHNJVNM-IBGZPJMESA-N 320.440 4.507 30 20 DJED C[C@H](CCN[C@H]1CCC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 463246652 RTZATEXYNKKOLA-KEYYUXOJSA-N 324.390 4.871 30 20 DJED C=C[C@@H](C)NC(=O)Nc1ccc(Sc2ccccc2)cc1C 465161299 AUOYCZVMQODFAW-CQSZACIVSA-N 312.438 4.842 30 20 DJED C=CCCCCNC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 472842739 WANZWHBFBJKABJ-MRXNPFEDSA-N 306.837 4.543 30 20 DJED CC(C)(C)C(=O)c1ccc(NCc2ccc(C#N)cc2F)cc1 487376505 MUIXLYZALCXXQK-UHFFFAOYSA-N 310.372 4.538 30 20 DJED COc1ccc(C#N)cc1N[C@H](C)c1ccc2ccccc2c1 493837775 VWAPSGIJYLTZEO-CQSZACIVSA-N 302.377 4.893 30 20 DJED CC(C)(C#N)CCCCN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 511895669 YEFVTTLVGDDJBY-XUVXKRRUSA-N 310.485 4.975 30 20 DJED COc1ccc(C#N)cc1N[C@H](C)c1cccc2ccccc12 519940242 ZPZMEZUYFWRAEG-CQSZACIVSA-N 302.377 4.893 30 20 DJED N#CCCCCN[C@H](Cc1ccc(Cl)cc1)c1ccccc1 531705480 POPMWPYHQUEWRD-LJQANCHMSA-N 312.844 4.907 30 20 DJED C=CCC[C@@H](CC)NCC1(c2ccc(Cl)cc2)CCOCC1 539092338 VZOQXAFURJQASI-GOSISDBHSA-N 321.892 4.723 30 20 DJED C[C@H](NCc1cccc(C#N)c1F)c1ccccc1C(F)(F)F 539344191 WTNKIMFGDZLLBV-NSHDSACASA-N 322.305 4.567 30 20 DJED C[C@@H](NCC1(c2cccc(Cl)c2)CC1)c1ccc(C#N)cc1 539497060 YGBVLCIDGPGFIV-CQSZACIVSA-N 310.828 4.594 30 20 DJED CC[C@@H](C)n1ncc(N[C@H](C)c2cccc(C#N)c2)c1C1CC1 539681529 OAJRHGLEADIENJ-ZIAGYGMSSA-N 308.429 4.776 30 20 DJED C[C@@H](NC(=O)CC1CCC1)c1ccc(-c2cccc(C#N)c2)cc1 543858196 UMOPZOVLSKYYOM-OAHLLOKOSA-N 318.420 4.593 30 20 DJED C=CCOc1ccc(-c2nnc(SCCCCCF)o2)cc1 551097204 CQPLVUBSBNBHAS-UHFFFAOYSA-N 322.405 4.533 30 20 DJED CC(C)(C)c1nsc(Oc2ccc(C#N)c3ccccc23)n1 559009331 UWMBIPKCKWUDOG-UHFFFAOYSA-N 309.394 4.653 30 20 DJED N#C[C@@H](Cc1ccccc1)Sc1ccccc1Br 603454071 NCFMKCKKGJRYJR-CYBMUJFWSA-N 318.239 4.676 30 20 DJED C[C@@H]1C[C@H]1[C@H](NCC(C)(C)CCC#N)c1ccc(Cl)cc1 610271383 QFGAWEWWEWUIRE-KBRIMQKVSA-N 304.865 4.957 30 20 DJED O=C1/C(=C/c2cccc(OC(F)F)c2)CCc2sccc21 726889339 BWSYDGLJHFHRMJ-DHZHZOJOSA-N 306.333 4.562 30 20 DJED CSc1ccc(C(=O)/C=C\c2ccc(N(C)C)c(F)c2)cc1 727653976 DIENUQGFERHNNL-WZUFQYTHSA-N 315.413 4.510 30 20 DJED FC(F)(F)c1ccccc1C=NNc1cccc2cnccc12 728431731 ANUHSJNWCOKJCQ-UHFFFAOYSA-N 315.298 4.700 30 20 DJED Fc1ccc2oc(C=NNc3nccc4sccc34)cc2c1 741762260 WMNTXBLJOJBDGX-UHFFFAOYSA-N 311.341 4.628 30 20 DJED CCC1(CN[C@H](C)c2ccc(OCC#N)cc2)CCCCC1 762790968 RXPNEXIVXSFMKQ-MRXNPFEDSA-N 300.446 4.600 30 20 DJED CCC(=NOCC(F)(F)F)c1ccc2cc(OC)ccc2c1 764836785 ZLSIHGAXPNRALA-UHFFFAOYSA-N 311.303 4.541 30 20 DJED C=CCN(C(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C)C1CC1 772897201 YXWSQADMCCEKQV-INIZCTEOSA-N 322.452 4.505 30 20 DJED COc1ccccc1-c1ccc(/C=C\C(=O)c2cscn2)cc1 776193613 SCESMYQNBYHMAU-FLIBITNWSA-N 321.401 4.715 30 20 DJED O=C(/C=C/c1scnc1C1CC1)c1ccc(C(F)(F)F)cc1 782327021 GAUACZCRWITVSC-BQYQJAHWSA-N 323.339 4.935 30 20 DJED CC(C)(C#N)CCCN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784482541 YHYFNPJBSPFMSE-OAHLLOKOSA-N 324.390 4.825 30 20 DJED Fc1ccc([C@H]2CCCC2=NNc2nccnc2C2CCC2)cc1 807993795 FMPHSJUJKKAEIZ-MRXNPFEDSA-N 324.403 4.619 30 20 DJED CC(=NNc1cccc(C(=O)O)c1)c1ccc(Cl)c(Cl)c1 916255204 JQJIVCYVXTUQLY-UHFFFAOYSA-N 323.179 4.528 30 20 DJED FC(F)(F)c1ccccc1C=NNc1ccc2ccccc2n1 916286768 UMXVHCBCTFDMNM-UHFFFAOYSA-N 315.298 4.700 30 20 DJED N#Cc1ccccc1NCc1cccc(COc2ccccc2)c1 917523257 NXKZOQHBFQKIDP-UHFFFAOYSA-N 314.388 4.749 30 20 DJED CC(C)[C@H]1CN(c2nc(C#N)c(Cl)s2)c2ccccc21 1163205590 SYJXABYVJKTDPN-LLVKDONJSA-N 303.818 4.559 30 20 DJED CC(C)(C)c1ccc(C#N)c(OCc2cc(Cl)ccc2F)n1 1166382945 GUYBZEIDGXJXAN-UHFFFAOYSA-N 318.779 4.622 30 20 DJED N#Cc1ccc(CCN2CC3(CCCC3)[C@@H]2c2ccccc2)cc1 1194914666 PIVKGTKCYDKJMF-NRFANRHFSA-N 316.448 4.718 30 20 DJED CCSc1ccc(Cl)cc1NC(=O)c1csc(C#N)c1 1353116459 UMAAYLPRJMYZTN-UHFFFAOYSA-N 322.842 4.637 30 20 DJED CCC(C)(C)c1ccc(COC(=O)c2ccc(C#N)cc2)cc1 1357690623 VCPVHGWGLZDDHK-UHFFFAOYSA-N 307.393 4.603 30 20 DJED CC[C@H](C)CCC(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 1456773595 FWBGFXIJYUDQGI-AWEZNQCLSA-N 323.396 4.510 30 20 DJED Cc1ccc2ncc(CSc3ccc(C#N)cc3F)cc2c1 1458956146 SKXWLFHXPGQRHR-UHFFFAOYSA-N 308.381 4.846 30 20 DJED CCC[C@@H](CC)SCc1c(C#N)c(C)nn1-c1ccccc1 1459059074 CNVGQHQVTRZFPM-MRXNPFEDSA-N 313.470 4.864 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)[C@H](F)CC1CCCCC1 1525266243 QXBBIDNIFGASMO-GOSISDBHSA-N 324.399 4.958 30 20 DJED C[C@H]1CCC[C@H]1CC(=O)Nc1cc(C(C)(C)C)sc1C#N 1527552803 WJHKVOSPYFDFQQ-RYUDHWBXSA-N 304.459 4.682 30 20 DJED N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 1540365140 WDBQFWAQQKKWTG-LJQANCHMSA-N 314.388 4.551 30 20 DJED Cc1nnc(SCc2ccc(C(C)(C)C)cc2)c(C#N)c1C 1559357610 FJAIATDJRYBNRX-UHFFFAOYSA-N 311.454 4.555 30 20 DJED N#Cc1ccc(CCSc2nc3ccc(F)cc3s2)cc1 1559464937 PUTSHXUZXDNNIW-UHFFFAOYSA-N 314.410 4.642 30 20 DJED CCC[C@H](CC1CCCCC1)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 1583559875 YNBYQIBWZKLUDQ-KZNAEPCWSA-N 305.462 4.999 30 20 DJED C[C@@H](CCc1ccc(Cl)s1)Nc1cc(F)cc(C#N)c1 1621478944 OSGWDEZYTUXWIW-JTQLQIEISA-N 308.809 4.845 30 20 DJED N#Cc1ccc(F)c(CN[C@H]2CCCC[C@H]2C2CCCCC2)c1 1621524442 KRKGRKNJMHANPJ-ICSRJNTNSA-N 314.448 4.926 30 20 DJED CC(C)[C@@H](Nc1cccc(C#N)n1)c1ccc(C(F)(F)F)cc1 1642468452 JICNONFCSAQKAX-MRXNPFEDSA-N 319.330 4.781 30 20 DJED COc1ccc(C#N)cc1CS[C@@H]1CCCc2ccccc21 1643660474 MASNSJZKHRRUSB-LJQANCHMSA-N 309.434 4.878 30 20 DJED CC[C@@H](CSC)N(C)Cc1ccc(-c2ccccc2C#N)cc1 1645051682 PINJPKSNCKCSPY-IBGZPJMESA-N 324.493 4.799 30 20 DJED N#Cc1c(F)cccc1N[C@@H]1CCCOc2cc(Cl)ccc21 1650912517 NFWJFNGZXXMADY-OAHLLOKOSA-N 316.763 4.677 30 20 DJED C[C@@]1(c2ccccc2)CC[C@@H](NC2(c3cccc(C#N)c3)CC2)C1 1658081166 GICRMNXHEFCWIM-NHCUHLMSSA-N 316.448 4.647 30 20 DJED Cc1c(NN=C2CCC[C@@H]2CCC(C)C)cccc1C(=O)O 1776086693 IZDSQQWCLKNTQR-CQSZACIVSA-N 302.418 4.697 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1sc2cccc(F)c2c1C 63961326 HJRVCDOKJBDSKM-UHFFFAOYSA-N 324.380 4.781 30 20 DJED CC(C)Sc1ccccc1C(=O)N[C@@H](C)c1cccc(C#N)c1 75265298 MCPZXBHZHAQSCE-AWEZNQCLSA-N 324.449 4.550 30 20 DJED O=C1/C(=C\c2cc(Br)cs2)CCc2ccccc21 104377006 HNBMNUWHMCMPQZ-XFFZJAGNSA-N 319.223 4.723 30 20 DJED C[C@H](NCC(C)(C)Cc1ccccc1)c1ccc(OCC#N)cc1 181972163 GPWWDTOUTRUTLY-KRWDZBQOSA-N 322.452 4.508 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc(F)cc1OCC)c1ccccc1 186844751 BIPCCGWHZNHSFK-MRXNPFEDSA-N 313.372 4.523 30 20 DJED CSc1ccc2c(c1)CC/C(=C\c1ccc(C#N)s1)C2=O 255010270 MFOOORNSEXBVTC-FMIVXFBMSA-N 311.431 4.554 30 20 DJED C=CCC[C@H](NCc1nc(C(C)(C)C)cs1)c1ccco1 286368507 ZNPYPCXUAATUAE-ZDUSSCGKSA-N 304.459 4.831 30 20 DJED CC[C@@H](C)[C@@H](C(=O)Nc1cccc(CC#N)c1)c1ccccc1 313530575 ZKDCVFJLUBHYIO-DNVCBOLYSA-N 306.409 4.521 30 20 DJED CC[C@H](C)[C@H](C(=O)Nc1cccc(CC#N)c1)c1ccccc1 313530610 ZKDCVFJLUBHYIO-KXBFYZLASA-N 306.409 4.521 30 20 DJED CC[C@H](/N=C(/O)c1csc(C(C)(C)C)n1)c1nc(C)cs1 330628249 YNYAFDRFWHMFJU-JTQLQIEISA-N 323.487 4.661 30 20 DJED CCCCSc1ccc(Cl)cc1C(=O)N(CC)CCC#N 348604437 YNFZHRDDIDZZGX-UHFFFAOYSA-N 324.877 4.608 30 20 DJED Cc1nc2c(s1)[C@@H](N(C)CCC1(C#N)CCCCC1)CCC2 411378602 OBNHKFXPBMSQEY-INIZCTEOSA-N 317.502 4.625 30 20 DJED Cc1ccc(CNc2ccc(Oc3ccccc3)c(C#N)c2)cn1 428408054 YBQMQHUVGOXXMT-UHFFFAOYSA-N 315.376 4.666 30 20 DJED C[C@@H](NCC1(c2ccccc2)CCCC1)c1ccc(C#N)cc1 439556786 HQYSYXUUWMOGQM-QGZVFWFLSA-N 304.437 4.721 30 20 DJED N#C[C@H]1CC[C@H](Nc2cccc(OCc3ccc(F)cc3)c2)C1 442863344 CKTFEIWGTCWVJW-YJBOKZPZSA-N 310.372 4.509 30 20 DJED CC1(C#N)CCC(NC2CC(c3ccc(F)c(Cl)c3)C2)CC1 449300469 DVHWJLAOOFILQO-UHFFFAOYSA-N 320.839 4.787 30 20 DJED CC[C@@H](C)c1ccc([C@H](NC(=O)CCCC#N)C(C)C)cc1 462152304 SMXLOQHMDQXZBJ-DNVCBOLYSA-N 300.446 4.707 30 20 DJED C=CCCC(=O)Nc1c(C)cc(Br)c2ccccc12 478079016 IAMVOQFBAWFONC-UHFFFAOYSA-N 318.214 4.815 30 20 DJED CC[C@@H](NCc1c(C)c2ccccc2n1C)c1ccc(C#N)cc1 479459478 WSNVZQTXCLIYTN-LJQANCHMSA-N 317.436 4.599 30 20 DJED C[C@H](N[C@@H]1CC[C@@H](c2ccccc2F)C1)c1ccc(C#N)cc1 481720801 UMPGVQPUOHIRER-BMGDILEWSA-N 308.400 4.684 30 20 DJED C=CCC[C@H](CCC)N[C@H](C)c1nc(C(F)(F)F)cs1 494396580 XEKYVOBXBOEPJL-MNOVXSKESA-N 306.397 4.947 30 20 DJED C[C@@H](Nc1ccc(Cl)c(OC(F)F)c1)c1cccc(C#N)c1 507479077 NIWLPCAPZQMVFL-SNVBAGLBSA-N 322.742 4.986 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)Nc1cc(C#N)ccc1OC 510789190 ZAKDRNLTLQZHTP-MRXNPFEDSA-N 314.429 4.502 30 20 DJED C/C(=C\c1ccccc1)CNc1cccc(OCCCC#N)c1 522283960 PIJSFPXADOYHCC-SAPNQHFASA-N 306.409 4.885 30 20 DJED CC(C)(C#N)CCCN[C@@H](c1ccc(F)cc1F)C(C)(C)C 539327525 ZKQGUGJOEKRNBO-INIZCTEOSA-N 308.416 4.972 30 20 DJED C[C@@H](NCc1cc2ccccc2s1)c1ccc(C#N)c(F)c1 550857020 MFYFVSWQNDBIHM-GFCCVEGCSA-N 310.397 4.763 30 20 DJED C=CCC1(C(=O)N2CCC[C@](C)(c3ccccc3)CC2)CCC1 553195398 SBXCGZBKZZIQQT-FQEVSTJZSA-N 311.469 4.703 30 20 DJED C[C@H](Nc1cc(C#N)ccn1)c1ccc(Cl)c2ccccc12 557634319 ZKMJCKKOESJPGJ-LBPRGKRZSA-N 307.784 4.933 30 20 DJED C=C[C@](C)(CC)C(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 558117501 XPKAHFJAGBTVPD-DOTOQJQBSA-N 323.889 4.635 30 20 DJED CCSc1cccc(F)c1NCc1cc(C#N)ccc1F 558592008 AKPKBLXFIVUGKM-UHFFFAOYSA-N 304.365 4.561 30 20 DJED CCOc1cccc2cc([C@@H](C)Nc3cc(C#N)cc(C)n3)oc12 587036362 XENJZHNEKKVSKF-CYBMUJFWSA-N 321.380 4.580 30 20 DJED C=C(C)COc1cccc(NC(=O)N2CCC(C)(CC)CC2)c1 591512091 YHMSLDCNOSWGAL-UHFFFAOYSA-N 316.445 4.686 30 20 DJED CC[C@H](C#N)c1ccc(-c2ccc(O[C@H]3CCOC3)cc2)cc1 592985167 UQEXLGBQLMQBAC-QRWLVFNGSA-N 307.393 4.538 30 20 DJED Cc1cc(C)c(NC(=O)N(CCC#N)CCC(C)C)c(Cl)c1 610557101 IEESIGBMPRBWRI-UHFFFAOYSA-N 321.852 4.751 30 20 DJED O=C(/C=C/c1cc(F)c(F)c(F)c1)c1nc2ccccc2s1 727975448 YEIURYAOIZUOBS-AATRIKPKSA-N 319.307 4.610 30 20 DJED CCOCc1cc(/C=C\C(=O)c2ccc(C)c(C)c2)ccc1OC 747613244 UOHDBFCFQNUSSV-YFHOEESVSA-N 324.420 4.745 30 20 DJED CC(C)Oc1c(F)cc(N[C@H](C)c2ccc(C#N)cc2)cc1F 753737331 JBIQRHKUEBTAFW-GFCCVEGCSA-N 316.351 4.797 30 20 DJED Cc1cc(/C=C/C(=O)c2cccc(OC(F)F)c2)cnc1Cl 760262536 KHBBXSFQOZWGLL-AATRIKPKSA-N 323.726 4.541 30 20 DJED CC(C)(C)Sc1ccc(-c2noc(C3(C#N)CCC3)n2)cc1 762347160 BGVCHKYGXOEEON-UHFFFAOYSA-N 313.426 4.572 30 20 DJED C=CC[C@@H](N[C@H]1CCSc2c(F)cccc21)c1ccncc1 766019177 KMQYHHXBKIKVSB-SJORKVTESA-N 314.429 4.665 30 20 DJED CCn1nc(/C=C\C(=O)c2ccccc2Cl)c2ccccc21 769741072 BNZHVSJYLZDZAC-QXMHVHEDSA-N 310.784 4.606 30 20 DJED Cc1c(C(=O)/C=C/c2cc(Cl)cs2)cnn1C(C)(C)C 782354427 MCPGZAWFIRGRPQ-AATRIKPKSA-N 308.834 4.558 30 20 DJED FC(F)(F)[C@H]1CCCC(=NNc2nccc3sccc23)C1 783514096 LCJNIXJBMCMXQI-VIFPVBQESA-N 313.348 4.817 30 20 DJED CC(C)(C#N)CCCOC(=O)c1c(Cl)cc(F)cc1Cl 784995186 YRFNUVBJEFLHJJ-UHFFFAOYSA-N 318.175 4.619 30 20 DJED CC(C)(C)c1cnc(/C=C2/CSc3ccccc3C2=O)s1 790602682 VRSLIUACBKAJQE-FLIBITNWSA-N 315.463 4.813 30 20 DJED FC(F)(F)c1ccccc1ON=C1CCC[C@@H]1c1ccccn1 794922488 JTYHYIKLHGJDSO-GFCCVEGCSA-N 320.314 4.803 30 20 DJED CCC[C@@](C)(CC)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 796694569 WMQKQWWYGWCRBA-YVEFUNNKSA-N 318.417 4.828 30 20 DJED CCSc1cccc(/C=C2/Cc3nc(Cl)ccc3C2=O)c1 806579338 DGDORYHFOQRLRW-WQLSENKSSA-N 315.825 4.669 30 20 DJED CC[C@@H](CC1CCCC1)C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842940457 AEMQKJCPQSVRBN-ZFWWWQNUSA-N 316.470 4.803 30 20 DJED COc1cccc2cc(/C=C\C(=O)c3c[nH]c4ccccc34)oc12 915271189 NKHLIFYCUDWOSJ-KTKRTIGZSA-N 317.344 4.819 30 20 DJED N#Cc1cc(CNC(C2CCCC2)C2CCCC2)ccc1F 1198020713 TZCAVKVPJQMZNW-UHFFFAOYSA-N 300.421 4.536 30 20 DJED C[C@H]1C[C@@H](Nc2ccc(Oc3ccccc3)c(C#N)c2)C[C@@H](C)O1 1205493087 QJZPHEMOOUVOPY-HWWDLCQESA-N 322.408 4.718 30 20 DJED Cc1ccc(C2(C(=O)O[C@H](C)c3cccc(C#N)c3)CCC2)cc1 1266018728 INNOKRILGFTRLH-MRXNPFEDSA-N 319.404 4.593 30 20 DJED N#CC1(C(=O)NCc2ccc(C3CCCCC3)cc2)CCCCC1 1273763802 PJWOPNPBFLZTFN-UHFFFAOYSA-N 324.468 4.825 30 20 DJED COc1cc(CN2CCCCC[C@H]2c2ccccc2)ccc1C#N 1308614204 OVDAPYOSJAYHLQ-FQEVSTJZSA-N 320.436 4.684 30 20 DJED C=CCC1(c2nnc(-c3ccc4ccccc4n3)o2)CCCC1 1349955326 ISUOPZNXKSWLMU-UHFFFAOYSA-N 305.381 4.673 30 20 DJED CC(C)c1ccc([C@@H](C)CC(=O)Nc2ccc(F)cc2C#N)cc1 1457400807 NVOSBGNFTLMZHK-AWEZNQCLSA-N 324.399 4.953 30 20 DJED C[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)C1CCCCCC1 1458787947 HBQMMZMXDOLTKL-APWZRJJASA-N 312.457 4.549 30 20 DJED CC(C)(C)C1CCC(CC(=O)O[C@@H]2CCC[C@H](C#N)C2)CC1 1528490643 RCVISIJADSIHLQ-ODZFXCKXSA-N 305.462 4.855 30 20 DJED CCCOc1ccc(CNc2ccccc2O[C@@H](C)C#N)cc1C 1560412450 VGELIJTYNWYVKR-INIZCTEOSA-N 324.424 4.687 30 20 DJED CC(C)CCOc1ccc(NC(=O)Nc2cccc(C#N)c2)cc1 1562143892 UNOSHXOOKRQMGD-UHFFFAOYSA-N 323.396 4.627 30 20 DJED C[C@H]1CC[C@@](C)(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1(C)C 1584096375 WZIBOCSTQASYCC-HLLQZAQXSA-N 324.468 4.514 30 20 DJED CCOC(=O)c1cccc(SCCC2(C#N)CCCCC2)c1 1641102746 KOPLMIGZULXNFX-UHFFFAOYSA-N 317.454 4.820 30 20 DJED Cc1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)c(Cl)c1 1641628014 AAMLDVCVMOZSEN-UHFFFAOYSA-N 312.844 4.931 30 20 DJED N#Cc1cccc(NCc2ccc(-c3cccc(F)c3F)o2)c1 1650844494 PYMHDAUCAAMKTP-UHFFFAOYSA-N 310.303 4.709 30 20 DJED Cc1ccc([C@H]2[C@H](C)CCCN2c2cccc(F)c2C#N)cc1 1651574127 FJFVVKNZBVPIBF-FOIQADDNSA-N 308.400 4.983 30 20 DJED CC1(C)CC[C@H](CNCc2cc(C#N)cs2)c2ccccc21 1657577037 VCVDDNCHHIBQRC-OAHLLOKOSA-N 310.466 4.565 30 20 DJED CC(CCCCc1ccccc1)=NNc1cccc(C(=O)O)c1 1776037865 GFXNVBAHMOSRQT-UHFFFAOYSA-N 310.397 4.586 30 20 DJED Cc1cc(C)c(/C=C\C=NNc2cccc(C(=O)O)c2C)c(C)c1 1776088913 QJLQJAPKQZKLEU-IGZCHABASA-N 322.408 4.730 30 20 DJED CC(C)Cc1cccc(C(=O)/C=C\c2cc(C(=O)O)cs2)c1 1776341500 VGOJXIUFMDJUMH-SREVYHEPSA-N 314.406 4.541 30 20 DJED CCCCCCCCCCCN(C)Cc1ccoc1C(=O)O 1776784556 FPCDQDLAHAFPFA-UHFFFAOYSA-N 309.450 4.940 30 20 DJED CSc1ccc(/C=C/C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 5129836 AXQFDWJTEMZOOG-UXBLZVDNSA-N 313.378 4.521 30 20 DJED O=C(/C=C/c1cccc2c1OCCO2)c1ccc2ccccc2c1 59591803 WPGGSBLXKURIRX-ZHACJKMWSA-N 316.356 4.507 30 20 DJED C[C@H](Cc1cccs1)Nc1ccc(C#N)c(C(F)(F)F)c1 71271747 CLWYUWCGVZIEEK-SNVBAGLBSA-N 310.344 4.682 30 20 DJED CC(C)CCN(CCC#N)Cc1cnc(-c2ccsc2)s1 93100864 SGFQQLUCQZAILG-UHFFFAOYSA-N 319.499 4.633 30 20 DJED CC(C)[C@H](NCc1ccccc1C(C)(C)C#N)c1ccccc1 135107374 YZAYPLUXDOXCAD-FQEVSTJZSA-N 306.453 4.975 30 20 DJED CC(C)(C#N)c1ccccc1CNc1ccc2scnc2c1 178351946 DYQPYUGNXXTLIG-UHFFFAOYSA-N 307.422 4.710 30 20 DJED C[C@H](Nc1cccc(CC(F)(F)F)c1)c1cccc(C#N)c1 179974554 FQMKDLFRMGWSCT-LBPRGKRZSA-N 304.315 4.836 30 20 DJED Cc1nc(CSc2ccc(C#N)c(C(F)(F)F)c2)cs1 181063206 TZULWTIRWGTEPJ-UHFFFAOYSA-N 314.357 4.634 30 20 DJED C=CC[C@H](C(=O)Nc1cc(OC)ccc1Cl)c1ccccc1 187134631 VIVMJZLQUCLSSZ-HNNXBMFYSA-N 315.800 4.647 30 20 DJED Cc1ccc2cc(CN[C@@H](CCC#N)c3ccccc3)ccc2n1 189403647 GTUQNPVCKQBGLE-FQEVSTJZSA-N 315.420 4.678 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1ccc(SC(C)C)cc1 189947827 NOYLHGOLGHVFJV-UHFFFAOYSA-N 318.486 4.732 30 20 DJED C[C@@H](c1ccccc1Cl)N(C)Cc1cccc(C#N)c1F 219517518 KEAXDGDSGBNJLI-LBPRGKRZSA-N 302.780 4.544 30 20 DJED Cc1cc(Oc2nc(C)c(C#N)cc2Cl)cc(C)c1Cl 313037485 FQDMQFKTGABAEK-UHFFFAOYSA-N 307.180 4.978 30 20 DJED C/N=C(/O)c1cccc(N=C(O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c1 328982144 DZKYUZDKVHHJSH-RRQGHBQHSA-N 314.429 4.816 30 20 DJED O/C(CC1CCCC1)=N/C/C(O)=N\[C@@H]1CCCCC12CCCC2 329751404 VPMJDNSETYGLHN-MRXNPFEDSA-N 320.477 4.983 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1C(F)F 351529470 LPXBBGAFEBKGLH-OAHLLOKOSA-N 322.399 4.800 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cc2cc(C)c(C)cc2o1 436294697 GKITXNGYXNHKSG-YRNRMSPPSA-N 313.441 4.681 30 20 DJED C=C[C@@](C)(CC)C(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 442930539 AYSWJDLAPIHFEV-IBGZPJMESA-N 319.395 4.573 30 20 DJED C=CCCCCCSc1nnc(Cc2cccc(OC)c2)o1 447307497 YSESNZMJUBVWQI-UHFFFAOYSA-N 318.442 4.508 30 20 DJED N#C[C@@H](NC(=O)c1cccc(C2CCC2)c1)c1ccccc1Cl 462525289 BNAHHGVQKZIEIM-GOSISDBHSA-N 324.811 4.602 30 20 DJED N#C[C@H]1CCC[C@@H](Nc2cccc(OCc3cccc(F)c3)c2)C1 463300210 IVVBEEAPASQDAA-MAUKXSAKSA-N 324.399 4.899 30 20 DJED C=CC[C@H](CC)NC(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 466326927 VMUUKEWJBDDPFV-HOCLYGCPSA-N 314.429 4.880 30 20 DJED Cc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)c(Cl)c1 474072033 APEPTSBNZYMHCN-OAHLLOKOSA-N 312.800 4.675 30 20 DJED CC[C@H](CC(F)(F)F)N[C@H]1CCCCc2cc(C#N)ccc21 482002260 PCHZDXGJEUVTSY-ZBFHGGJFSA-N 310.363 4.646 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1cc2sc(C)nc2cc1Cl 484677780 JSGMEPTWYDCEFN-HNNXBMFYSA-N 308.834 4.799 30 20 DJED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)Nc1ccc(CC#N)cc1 486054399 QCNDUILKAAZSOK-WBVHZDCISA-N 318.420 4.681 30 20 DJED C=C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 488867806 XXHRBGLZWJKHLC-YUELXQCFSA-N 324.251 4.664 30 20 DJED C=CCN(C(=O)CCCC(C)(C)C)c1nc2c(s1)CCCC2 504431219 LJNIXBQTRLWQMY-UHFFFAOYSA-N 320.502 4.757 30 20 DJED C=CCSCc1ncc(-c2cccc(Br)c2)o1 525725706 WZGDIQZESNHWNW-UHFFFAOYSA-N 310.216 4.523 30 20 DJED C=CCCC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1 534978454 ARYYEAUAAVSWFS-UHFFFAOYSA-N 307.802 4.622 30 20 DJED C=C(CC)CN[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 538129825 KEYFBHMZSYTYCX-MRXNPFEDSA-N 308.425 4.556 30 20 DJED C=CC[C@@H](C)N[C@H](Cc1cccnc1)c1ccc(Cl)cc1 544826883 HMLIIUGSXOMZRY-RDTXWAMCSA-N 300.833 4.573 30 20 DJED C=CCCOCCCCc1nc([C@H]2CCCC[C@@H]2CC)no1 551184304 IQNXFAZNOFBUSH-HOTGVXAUSA-N 306.450 4.669 30 20 DJED C=CCC(C)(C)CN[C@@H](C)c1ccc(OC(F)F)c(OC)c1 551241884 XBDLMAXUTCTRIF-LBPRGKRZSA-N 313.388 4.550 30 20 DJED N#Cc1ccc(/C=C\c2cnc(-c3ccc(Cl)cc3)s2)nc1 556280207 LCHLXRISLXDZTB-FPLPWBNLSA-N 323.808 4.901 30 20 DJED Cc1ccc([C@H](N[C@H]2CCc3ccc(C#N)cc32)C2CC2)cc1 574561445 HAWNHSCDAYOGQC-SFTDATJTSA-N 302.421 4.595 30 20 DJED CCCCOc1cccc(CN[C@@H](CC)c2ccc(C#N)cc2)c1 579433147 CIHPHNOOXNFWMQ-NRFANRHFSA-N 322.452 4.978 30 20 DJED C[C@@H](NCc1ccc(F)cc1C#N)c1ccc(F)c2ccccc12 580253216 SABHQOHJCMTBBE-CYBMUJFWSA-N 322.358 4.840 30 20 DJED CC(C)(CCC#N)CN1CC[C@H](C(F)(F)F)c2ccccc21 581316571 DAWJGEUDWVNQGM-AWEZNQCLSA-N 310.363 4.873 30 20 DJED C[C@H](N[C@H](CCC#N)c1ccccc1)c1cc2ccncc2s1 595021839 GHZIAKBZSAYLTH-WMLDXEAASA-N 321.449 4.992 30 20 DJED C=CC[C@@H](C)NC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl 604900749 GHDAKGIRONITRH-GHMZBOCLSA-N 315.244 4.660 30 20 DJED Cc1ccc(NC(=O)CS[C@@H](C)c2ccc(C#N)cc2)cc1C 609825576 GMCUYIKEZJSGHO-HNNXBMFYSA-N 324.449 4.608 30 20 DJED Cc1cc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c(C)s1 610388535 KPPPNXNLXIDRJZ-UHFFFAOYSA-N 324.327 4.508 30 20 DJED CC(CSC(C)(C)C)=NNc1ccc(OC(F)F)cc1 729638867 JFIXMGZBPKFFGN-UHFFFAOYSA-N 302.390 4.608 30 20 DJED CCc1ccc(/C=C\C(=O)c2ccccc2OC(F)F)s1 731155818 UNSMZUGYLVGZPT-KTKRTIGZSA-N 308.349 4.808 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC[C@H]1CC1(Cl)Cl 731351984 ITFUKDGXBBHOCK-GHMZBOCLSA-N 315.269 4.687 30 20 DJED O=C1/C(=C\c2cc(C(F)(F)F)ccc2F)COc2ccccc21 733204991 GQAFHYYQTDZGMK-XFFZJAGNSA-N 322.257 4.503 30 20 DJED COc1ccc(C(=O)/C=C\c2cc(C(F)(F)F)ccc2F)cc1 733205560 ZMMKDCMQGBEHLB-WTKPLQERSA-N 324.273 4.749 30 20 DJED COc1ccc(N(CCC(C)(C)C#N)Cc2cccs2)cc1 741754097 IVUVTIPQECGDIL-UHFFFAOYSA-N 314.454 4.703 30 20 DJED Cc1cc(-c2ccccc2)ccc1NC(=O)c1ccc(C#N)s1 749320319 GMQZUOTXTVLKHW-UHFFFAOYSA-N 318.401 4.848 30 20 DJED CCc1nc(C=NN(Cc2ccccc2)c2ccccc2)cs1 755465473 JDYQSVVADGIHOP-UHFFFAOYSA-N 321.449 4.746 30 20 DJED N#CCCSc1ccccc1NC(=O)c1cc(Cl)cs1 758306039 AOBHXENHDXSWPE-UHFFFAOYSA-N 322.842 4.660 30 20 DJED CCC(CC)[C@@H](C)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 762062712 NMZDGIYMJHRCRQ-ZWNOBZJWSA-N 318.417 4.684 30 20 DJED Cc1ncsc1/C=C1/CCOc2c(cccc2C(C)C)C1=O 768490048 MEPZBMYFCFQRLE-LCYFTJDESA-N 313.422 4.624 30 20 DJED CC(=NOCCC(F)(F)F)c1ccc(Cl)c(Cl)c1 777461321 XKGHIUATBQTCTD-UHFFFAOYSA-N 300.107 4.686 30 20 DJED C[C@H](C#N)Oc1ccccc1N[C@H](C)c1ccc(Cl)cc1 779712235 DUEDHKHPMMWSEL-CHWSQXEVSA-N 300.789 4.804 30 20 DJED C[C@@H](C#N)Oc1ccccc1NC[C@H](C)CCc1ccccc1 779989778 ZYUFGZTYQYCHIZ-SJORKVTESA-N 308.425 4.658 30 20 DJED C[C@]1(c2ccccc2)CCC(=NNc2ncnc3sccc23)C1 780201089 HDGBJCGJCICJFR-SFHVURJKSA-N 322.437 4.601 30 20 DJED Cc1cc(Cl)ccc1OC(=O)C[C@@H](CC#N)c1ccccc1 792867519 QAUJCNQXXKPEEV-OAHLLOKOSA-N 313.784 4.641 30 20 DJED Cc1ccccc1[C@@H](C)OC(=O)C[C@@H](CC#N)c1ccccc1 795994561 XTKSBTIRTFDMGV-SJLPKXTDSA-N 307.393 4.687 30 20 DJED CC(=NNc1nccc2sccc12)c1c(F)cccc1Cl 807964806 XQXIFZSAVKBQSH-UHFFFAOYSA-N 319.792 4.925 30 20 DJED N#Cc1ccc2c(c1)C(=O)/C(=C/c1csc(Cl)c1Cl)C2 811697000 XKBJPXJHYAWALP-BJMVGYQFSA-N 320.200 4.749 30 20 DJED C=CCOc1cccc(CN[C@H](CC)c2ccccc2OC)c1 915228593 JXISVSFKHSSHJC-LJQANCHMSA-N 311.425 4.501 30 20 DJED C=CCN(CC=C)C(=O)N[C@@H](c1ccccc1)C1CCCCC1 916638567 IIDNQEWAQLHNPT-IBGZPJMESA-N 312.457 4.692 30 20 DJED COc1cccc(O)c1/C=N/[C@H](C)c1ccccc1C(F)(F)F 920178009 NOAAZFINUZOCLV-OHBSIKEHSA-N 323.314 4.600 30 20 DJED CC(C)(C)c1ccc(Cc2noc(CCCCCC#N)n2)cc1 1117579667 XLXXOBIYVUDPKJ-UHFFFAOYSA-N 311.429 4.584 30 20 DJED CO[C@H]1CCC[C@H](Sc2nc(-c3ccccc3)ccc2C#N)C1 1165663248 ISSNZSOFZPBPFJ-IRXDYDNUSA-N 324.449 4.670 30 20 DJED CC(C)Oc1ccccc1CN(C)[C@@H](C)c1cccc(C#N)c1 1171390192 IPPBTYAPEHPMDN-INIZCTEOSA-N 308.425 4.538 30 20 DJED CC(C)COc1cccc(CN(C)[C@@H](C)c2cccc(C#N)c2)c1 1195367923 KVJBYAWDKRUUBL-KRWDZBQOSA-N 322.452 4.786 30 20 DJED CC(C)(C)[C@H]1CCC[C@H](NC(=O)Nc2sccc2C#N)CC1 1207293307 PCKNQQMEGWPSGD-KBPBESRZSA-N 319.474 4.736 30 20 DJED CCCCc1ccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 1264742545 WPJUDIVWYXBWMG-UHFFFAOYSA-N 323.440 4.710 30 20 DJED C=C(CNC(=O)C(C)(C)CCCc1ccccc1)c1ccccc1 1274942817 YJUHMYSHZFTFIO-UHFFFAOYSA-N 321.464 4.865 30 20 DJED CSc1ccc(CCCC(=O)Nc2cccc(C#N)c2C)cc1 1435497196 QIKRSIIVSWIQHO-UHFFFAOYSA-N 324.449 4.550 30 20 DJED Cc1cc(C#N)cc(NC(=O)CSc2ccc(C(C)C)cc2)c1 1460861083 AKMMJKNFDTVYEU-UHFFFAOYSA-N 324.449 4.721 30 20 DJED CN(Cc1ccc(Cl)s1)c1nc(C(C)(C)C)ccc1C#N 1472639239 MYTDCLPSBIJULW-UHFFFAOYSA-N 319.861 4.602 30 20 DJED CC[C@@H](C)c1ccc([C@H](Nc2cncc(C#N)n2)C(C)C)cc1 1472644767 PLBBBLGDFLICAP-AUUYWEPGSA-N 308.429 4.671 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccccc1C1CC1 1473179668 HSWWSHOVJKDGFE-YADHBBJMSA-N 316.448 4.836 30 20 DJED CC[C@H](C#N)[C@@H](OC(=O)c1coc(SC)c1)c1cccs1 1525978930 UXJIJRCRMRRLEW-QMTHXVAHSA-N 321.423 4.511 30 20 DJED Cc1ccc(N(CC(C)C)C(=O)c2ccc(C)c(C#N)c2)c(C)c1 1527676315 OPXUCNXFLFQTDT-UHFFFAOYSA-N 320.436 4.786 30 20 DJED CCCc1ccc(C(=O)Nc2cc3ccccc3cc2C#N)cc1 1528323064 UJJRBYNWYYLDTM-UHFFFAOYSA-N 314.388 4.916 30 20 DJED C[C@H]1CCC[C@H](C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 1543968203 IIGIONMIODGGPD-KBPBESRZSA-N 314.429 4.500 30 20 DJED C[C@@]1(c2ccccc2)CCCN(Cc2ccc(C#N)s2)CC1 1559829937 FDJPSRMWNZIQBQ-LJQANCHMSA-N 310.466 4.564 30 20 DJED Cc1ccc(C#N)c(NC[C@H](c2ccc(Cl)cc2)C(C)C)n1 1612357294 GKQRWKIJYLXDTM-KRWDZBQOSA-N 313.832 4.767 30 20 DJED C[C@H]1Cc2ccccc2N(Cc2ccccc2C(C)(C)C#N)C1 1641722436 UHHLSIOLNKJBHX-INIZCTEOSA-N 304.437 4.687 30 20 DJED C=C(Cl)CN1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 1642830106 OFZHOEKCDMQHCQ-CQSZACIVSA-N 303.755 4.985 30 20 DJED C[C@@H]1CC[C@H](c2ccccc2)N(Cc2ccc(F)c(C#N)c2)C1 1643045331 RSPAXMHHSZNFQY-FOIQADDNSA-N 308.400 4.671 30 20 DJED Cc1nc(N[C@@H]2CC(C)(C)c3ccccc32)c(Cl)cc1C#N 1655255152 FKSAZNWEYONXDS-MRXNPFEDSA-N 311.816 4.750 30 20 DJED Cc1c(C#N)cccc1NCc1ccc(OC(F)F)c(Cl)c1 1658049895 KYFPSPQPEITHKY-UHFFFAOYSA-N 322.742 4.734 30 20 DJED CC[C@H](C)c1ccc(C(=O)/C=C\c2csc(C(=O)O)c2)cc1 1776697241 BKNGGHUSLSXISG-REPPVQDKSA-N 314.406 4.856 30 20 DJED C[C@H](Nc1ccc(OCC#N)cc1)c1ccc(F)c(Cl)c1 21017070 MUKWKHDBRSCMNI-NSHDSACASA-N 304.752 4.555 30 20 DJED N#Cc1cccc(CNC(c2cccs2)c2cccs2)c1 37748924 XNKLRGYIYKBURF-UHFFFAOYSA-N 310.447 4.560 30 20 DJED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3occc3C)n2)cc1 41512813 JYWXZKOCLRBKMF-CQSZACIVSA-N 322.389 4.510 30 20 DJED C=CCNc1nnc(S[C@@H](C)c2ccc(Cl)cc2)s1 48833472 KDHRWWDMPRNEFD-VIFPVBQESA-N 311.863 4.643 30 20 DJED CC(C)C[C@H]1CCCCCN1C(=O)Nc1ccc(CC#N)cc1 77672565 ITSLINWQQZWDCK-GOSISDBHSA-N 313.445 4.575 30 20 DJED N#Cc1ccc(Cl)cc1N[C@@H](c1ccccc1)c1ccccn1 78971258 JJSGUDXGSIGNDK-IBGZPJMESA-N 319.795 4.808 30 20 DJED Cc1[nH]c(-c2ccccc2)nc1C(=O)/C=C\c1cc(F)ccc1F 98054991 SOBUHFSLSYHMTF-YFHOEESVSA-N 324.330 4.559 30 20 DJED N#Cc1ccsc1NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 108674284 JYZHLZWZGDOBFG-IAGOWNOFSA-N 318.401 4.515 30 20 DJED CC(C)[C@@H]1CCCCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 119841080 TZDCAWADUNZKCC-KRWDZBQOSA-N 313.445 4.530 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@@H]1c1ccc(OCC)cc1 121574298 UVRGYQFLJMDXAN-LJQANCHMSA-N 313.441 4.517 30 20 DJED N#CCC[C@H](NCc1cnc(C2CCC2)s1)c1ccccc1 130509350 MCQFRQPDLXUYIJ-KRWDZBQOSA-N 311.454 4.545 30 20 DJED Cc1ccccc1[C@H](C)CC(=O)[C@H](C#N)c1nc2ccccc2o1 172210017 YRTSKWSURFAYRO-ZBFHGGJFSA-N 318.376 4.506 30 20 DJED COc1ccccc1[C@H](CC(C)C)NCc1cc(C#N)cs1 177708676 LRIHNJVPFMYQMR-KRWDZBQOSA-N 314.454 4.505 30 20 DJED C=C(C)COc1cc(CN[C@H](C)c2cccs2)ccc1OC 237174256 BCPHWZGHKYRLGA-CQSZACIVSA-N 317.454 4.562 30 20 DJED C=C(C)[C@@H](CC(=O)Nc1cc(C(F)F)ccc1Cl)OCC 270188832 HCRWJANKKSLSKB-CYBMUJFWSA-N 317.763 4.587 30 20 DJED C=C[C@H](CC(=O)N1CCc2sccc2[C@H]1C)c1ccccc1 270267076 ZJMRAGFOQNDILX-HUUCEWRRSA-N 311.450 4.554 30 20 DJED CC[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(C#N)cc1 278391918 DWGPKCGWMQJVCX-UXHICEINSA-N 303.409 4.644 30 20 DJED C=C(C)COc1cccc(NC(=O)[C@@H](C)SCCCC)c1 303226579 WUGWLRVZTDSYFV-CQSZACIVSA-N 307.459 4.502 30 20 DJED Cc1cc(C)c(N=C(O)c2sc(C(C)(C)C)nc2C)c(C)n1 330727588 MFYCUWWUVRZICX-UHFFFAOYSA-N 317.458 4.706 30 20 DJED CC1=C(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCC1 437218528 TVJWUEYYMYMZOH-UHFFFAOYSA-N 318.376 4.789 30 20 DJED CC(C)[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 443818712 SUOAODGOLLOZSS-QGZVFWFLSA-N 312.800 4.590 30 20 DJED C=CCC1(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)CCCC1 450074533 NREIIFJSRAIUPS-UONOGXRCSA-N 317.395 4.608 30 20 DJED CC(C)Sc1ccccc1NC(=O)[C@H](C)c1cccc(C#N)c1 464137309 NAPWNPCVUFUBPH-CQSZACIVSA-N 324.449 4.801 30 20 DJED C=CCCCC[C@@H](C)N[C@@H](C)c1nc(C(F)(F)F)cs1 467736809 XYCJDPXLPRARTC-MNOVXSKESA-N 306.397 4.947 30 20 DJED C=CCC[C@H](NC(=O)N(C)c1ccc(F)cc1)c1ccccc1 469177159 QHERCKJKLAOVBX-SFHVURJKSA-N 312.388 4.679 30 20 DJED C=CCC1(C(=O)Nc2ccc(-c3nc(C)cs3)cc2)CCC1 480044756 PWJOJAYWXAUHGT-UHFFFAOYSA-N 312.438 4.803 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1ccccc1-c1cccs1 486680432 LIYXEXVWRDSWAE-CQSZACIVSA-N 312.438 4.988 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc(C(F)(F)F)c1 490337035 NFXPETAGBNJFIX-ZDUSSCGKSA-N 318.342 4.770 30 20 DJED C=C(C)CN(CC)C(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 499196997 MPLIOLQFRJZGCS-ZWKOTPCHSA-N 309.494 4.567 30 20 DJED N#Cc1ccc(SCC(=O)Nc2cccc3ccsc23)cc1 501655965 MOZMZNJOCUIFNC-UHFFFAOYSA-N 324.430 4.504 30 20 DJED CCC(CC)CN(CCC#N)Cc1csc(-c2ccco2)n1 513716729 HKNKSQWZOWALPJ-UHFFFAOYSA-N 317.458 4.555 30 20 DJED CC[C@@H](C)C(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 514536563 OKTYFIGCBPLBMX-CQSZACIVSA-N 324.399 4.585 30 20 DJED N#CCCN(CC1CC1)C(=O)CC1CCC(c2ccccc2)CC1 517462020 YMWTWVJMPZWBHN-UHFFFAOYSA-N 324.468 4.503 30 20 DJED N#Cc1ccccc1CN[C@@H](c1cccc(F)c1)C1CCCC1 540434136 ZSRVLQQKMKGFLA-HXUWFJFHSA-N 308.400 4.718 30 20 DJED CC(C)c1ccoc1C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 556455669 BXFCQCOCKLRBKO-UHFFFAOYSA-N 316.445 4.631 30 20 DJED Cc1ccc([C@H](N[C@H]2CCCc3cc(C#N)ccc32)C2CC2)cc1 565908758 KGNXFVUYHXFBGA-VXKWHMMOSA-N 316.448 4.985 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2cccc3cc[nH]c23)CCCC1(C)C 572229054 NDTYJYGJNUPFAR-INIZCTEOSA-N 311.429 4.767 30 20 DJED CSc1ccc(CSCc2ccc(C#N)cc2F)cc1 588664095 NEXHXXBFCDJIPM-UHFFFAOYSA-N 303.427 4.853 30 20 DJED COc1cc(Cl)ccc1[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 591531535 CSQCMLIURYASDB-QWHCGFSZSA-N 314.816 4.632 30 20 DJED CC(C)Oc1cccc([C@H](C)Nc2ncc(C#N)cc2Cl)c1 608886014 KMNIRDDVJNNTQG-LBPRGKRZSA-N 315.804 4.567 30 20 DJED C=CCCCCCSCc1csc(-c2cnn(C)c2)n1 618658678 DUXOFUKDFQMKAY-UHFFFAOYSA-N 307.488 4.523 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCCc2ccc(Cl)cc21 618805271 NKPJFCLPZSVRLA-UXHICEINSA-N 322.839 4.866 30 20 DJED COc1cc(CNC(C)(C)c2ccc(C(C)C)cc2)ccc1C#N 619653871 PBJIGYYTPZEVBU-UHFFFAOYSA-N 322.452 4.715 30 20 DJED C=CC[C@H](Cc1ccccc1)N[C@H](C)c1ccc(C(F)F)nc1 658037441 WQPVCPIWECEJQU-RHSMWYFYSA-N 316.395 4.857 30 20 DJED COc1ccc2oc(C(C)=NNc3ccc(C)cc3)c(C)c2c1 729141360 YPLATZWAYHBYDK-UHFFFAOYSA-N 308.381 4.894 30 20 DJED CC(C)(C)c1ncc(/C=C\C(=O)c2ccc(F)c(F)c2)s1 736433247 QEYBYTCLWLHQSR-ALCCZGGFSA-N 307.365 4.615 30 20 DJED CCCCCOc1ccc(C(=O)/C=C/c2scnc2C)cc1 742430629 AXFSWQRSIXUAKF-ZHACJKMWSA-N 315.438 4.917 30 20 DJED Cc1ncsc1/C=C\C(=O)c1ccc(OCCC(C)C)cc1 742432324 XDVQRTYDPBKFCS-HJWRWDBZSA-N 315.438 4.773 30 20 DJED Brc1cccc(NN=C/C=C/c2ccccc2)c1 745992068 VQLBWSLWIPPTGS-UKNXVJMESA-N 301.187 4.560 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)C[C@H]2CCc3ccccc32)n1 747194130 UDWRLUKGOGAOEP-ZBFHGGJFSA-N 324.449 4.563 30 20 DJED CSCC(=NNc1cccc(Cl)c1F)c1ccccc1 749446631 FVLXNTJXPDETBL-UHFFFAOYSA-N 308.809 4.658 30 20 DJED CC[C@H](C#N)OC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F 753429931 IGEHDOXNYSXYQI-CQSZACIVSA-N 317.747 4.605 30 20 DJED CC(C)CC(CC(C)C)N[C@@H](C)c1ccc(OCC#N)cc1 772959283 KGSLEPYRUIOHOE-INIZCTEOSA-N 302.462 4.700 30 20 DJED C[C@H](NC[C@H]1CCC=CO1)c1ccc(-c2cccc(C#N)c2)cc1 775055286 SKJYKWNQHHKPFJ-HRAATJIYSA-N 318.420 4.569 30 20 DJED COc1ccc(/C=C\C(=O)c2cccc(F)c2F)cc1Cl 776267448 AQPRAOOSLABTOX-ALCCZGGFSA-N 308.711 4.523 30 20 DJED O=C(/C=C\c1ccc(Cl)nc1Cl)c1ccc(Cl)s1 779357655 IGKIIJYYWVZGJI-IWQZZHSRSA-N 318.612 4.999 30 20 DJED CCc1c(C)sc(NC(=O)CCCc2ccsc2)c1C#N 783457118 JEXDSNYDOVXIBI-UHFFFAOYSA-N 318.467 4.514 30 20 DJED C=CCCN(C)C(=O)Nc1ccc(SC(C)(C)C)cc1C 786102128 LZUMGGIIDNNXHO-UHFFFAOYSA-N 306.475 4.925 30 20 DJED Clc1cccc(C2CC(=NNc3cccc(Cl)n3)C2)c1 793181704 YTKYIDNLUQXDAU-UHFFFAOYSA-N 306.196 4.734 30 20 DJED CC(=O)c1cc(N=Cc2c(O)ccc3ccccc23)ccc1F 794677624 WQEISXLUBRJGMY-UHFFFAOYSA-N 307.324 4.638 30 20 DJED CC(C)n1nccc1/C=C1/Cc2c(ccc(Cl)c2Cl)C1=O 794943406 YHTKPBHCIJCVQC-YFHOEESVSA-N 321.207 4.593 30 20 DJED CC1(C)CC(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 795204773 NEBUOHYOOMSRDO-LJQANCHMSA-N 318.420 4.717 30 20 DJED CC(=NOCc1nc2ccccc2s1)c1cc2ccccc2o1 852750458 VTNPCZNRGDDXCX-UHFFFAOYSA-N 322.389 4.983 30 20 DJED CC(=NNc1ccc(C(=O)O)cc1)c1cc(Cl)ccc1Cl 916240478 CXHPYONMTLVLOA-UHFFFAOYSA-N 323.179 4.528 30 20 DJED CCC/C=C/C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 920457179 NBQFIBUXAMGEAV-CEQQRPIWSA-N 304.393 4.637 30 20 DJED Cc1ccc(-c2ccc(/C=C\C(=O)c3c(C)nn(C)c3C)o2)cc1 920832008 ACYWIFWSENPCIQ-LUAWRHEFSA-N 320.392 4.501 30 20 DJED Cc1ccc(-c2ccc(C(=O)O[C@@H]3CC[C@@H](C#N)C3)c(F)c2)cc1 1122637822 SIOSMADCTDOHFA-RHSMWYFYSA-N 323.367 4.650 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)C2CCC(c3ccccc3)CC2)C1 1129725067 QSLPQTAQTIGGKX-HJZRJOMTSA-N 311.425 4.586 30 20 DJED Cc1cnc(Nc2ccc(Oc3ccc(C#N)cc3)cc2C)nc1 1162238105 GPEQLRTXOZGIFB-UHFFFAOYSA-N 316.364 4.501 30 20 DJED N#Cc1ccnc(CNC(C2CCCCC2)C2CCCCC2)c1 1197266269 WEFJBLLAFUYIBZ-UHFFFAOYSA-N 311.473 4.572 30 20 DJED N#Cc1ccccc1NC(=O)c1cc2cc(Cl)ccc2s1 1348047320 LXSKHTBDJOORDF-UHFFFAOYSA-N 312.781 4.679 30 20 DJED Cc1ccc(C2(C(=O)Nc3ccc(Cl)c(C#N)c3)CCC2)cc1 1352800622 YDSQFMLHAZMIIF-UHFFFAOYSA-N 324.811 4.581 30 20 DJED C=C(CNC(=O)Nc1ccc(C2CCC2)cc1)c1ccccc1 1466348936 ZHHOMOOJBGCOSM-UHFFFAOYSA-N 306.409 4.789 30 20 DJED C[C@H]1C[C@H](CCNc2snc(Cl)c2C#N)CC(C)(C)C1 1472773455 WBZJCGQHLJDCNA-QWRGUYRKSA-N 311.882 4.933 30 20 DJED CC[C@H]1CCCC[C@@H]1C(=O)N(c1ccc(C#N)cc1)C1CCC1 1533352056 LXAADLJKLVKPNV-LPHOPBHVSA-N 310.441 4.660 30 20 DJED C=C(Cl)CN1CCC(c2c(Cl)cccc2Cl)CC1 1618248844 DITUWGCNOVGOEB-UHFFFAOYSA-N 304.648 4.925 30 20 DJED C[C@H](Nc1c(C#N)cnc2c(Cl)cccc12)c1cccc(O)c1 1639852597 PKCPOHCVVMIVMO-NSHDSACASA-N 323.783 4.639 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C[C@H]1CCCCC1(F)F 1644453868 UFMBGXIYZWPDTC-QGZVFWFLSA-N 306.400 4.594 30 20 DJED N#CCc1cccc(NCc2ccc(-c3c(F)cccc3F)o2)c1 1651091506 PQHBOQBYKLRPIL-UHFFFAOYSA-N 324.330 4.903 30 20 DJED CC(C)(CNc1ccc(Cl)c(C#N)n1)c1ccc(Cl)cc1 1655010813 LDVHEKJUDYBASY-UHFFFAOYSA-N 320.223 4.650 30 20 DJED CC[C@H]1CCC[C@@H](CN2CCC(c3ccc(C#N)cc3)CC2)C1 1665780862 SUCNGLYINJELGZ-PKOBYXMFSA-N 310.485 4.954 30 20 DJED C=C(CNC(=O)N1CCC(CCC(C)C)CC1)c1ccccc1 1682940788 JBQKFVILHRBDCD-UHFFFAOYSA-N 314.473 4.558 30 20 DJED O/C(=N\c1nc(-c2ccc[nH]2)cs1)C(F)(F)c1ccccc1 44357265 PQCIXFXOFKRBCD-UHFFFAOYSA-N 319.336 4.518 30 20 DJED Cc1ccc2oc(C(=O)Nc3ccc(C#N)c(Cl)c3)cc2c1 58038172 FMVTVJUFUPRZTG-UHFFFAOYSA-N 310.740 4.519 30 20 DJED CC(C)(C)OC(=O)Nc1ccc(NCc2ccc(C#N)cc2)cc1 105396748 KQKDJQWAXQABSO-UHFFFAOYSA-N 323.396 4.517 30 20 DJED CCC[C@H](CC)NC(=O)Nc1ccccc1S[C@H](C)CC#N 109028038 SSQSRLSVMDTMQM-KGLIPLIRSA-N 319.474 4.781 30 20 DJED N#CCCCCSCCc1cccc(OC(F)(F)F)c1 135122567 ZWWJUWSLBWBLKK-UHFFFAOYSA-N 303.349 4.555 30 20 DJED C[C@@H]1C[C@@H]1[C@@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 237354531 XYHRQAAMSAWQIZ-VMDGZTHMSA-N 310.828 4.699 30 20 DJED N#CCCCOc1cccc(CN[C@H](c2ccccc2)C2CC2)c1 237825148 ZWYFIBFVFCTWAO-OAQYLSRUSA-N 320.436 4.610 30 20 DJED CCCn1c(CNc2ccc(Cl)c(C#N)c2)nc2ccccc21 321307585 NWXVPVKTTBATDE-UHFFFAOYSA-N 324.815 4.583 30 20 DJED OC1=NCc2cccc(N=C(O)[C@@H]3CCC[C@H]4CCCC[C@H]43)c21 329024486 UWGLOABTPYRIOT-BPLDGKMQSA-N 312.413 4.699 30 20 DJED CS[C@H](C)CCC(=O)Nc1ccccc1S[C@H](C)CC#N 358412753 ZRFXJYRFOPCLMO-CHWSQXEVSA-N 322.499 4.551 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C)cs1 379216352 OODJKAOFYZQKMW-UHFFFAOYSA-N 311.859 4.600 30 20 DJED Cc1oc(C#N)cc1C(=O)N[C@H](CC1CCCC1)c1ccccc1 436148568 GBSXAWUURGVMNI-LJQANCHMSA-N 322.408 4.511 30 20 DJED CC(C)(C#N)CCCN1CCc2cc(Cl)cc(Cl)c2C1 437506767 IWHNIZYQXGHJCX-UHFFFAOYSA-N 311.256 4.681 30 20 DJED CCOc1ccc(Oc2ccc(NC(=O)CCCC#N)cc2)cc1 461796140 NLAWCGTUGZTIDA-UHFFFAOYSA-N 324.380 4.510 30 20 DJED C=CC[C@H](CC)NC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 466378468 NPPMPODSNCZGFI-HOTGVXAUSA-N 306.837 4.541 30 20 DJED CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 474416635 SSEBWEWBSXFDDX-IBGZPJMESA-N 320.436 4.615 30 20 DJED C=C(C)CSCc1nc(-c2cccc(C(F)(F)F)c2)no1 497849707 WPYKMXHMKZTQGI-UHFFFAOYSA-N 314.332 4.565 30 20 DJED C=CCOc1cccc(NC(=O)N(C)[C@H](C)c2ccc(C)cc2)c1 511012532 HEXKVVOTTYQFGC-MRXNPFEDSA-N 324.424 4.785 30 20 DJED Cc1cc(Cl)cc2nc(SCc3ccc(C#N)cc3)oc12 522684764 XIXOWXHXIRVWPW-UHFFFAOYSA-N 314.797 4.954 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](c1ccccc1)C1CC1 577237139 MOAUWOPSEOWDFD-LEWJYISDSA-N 302.421 4.677 30 20 DJED C=CCC[C@@H](N[C@@H](C)c1cc(OC)ncc1F)c1ccccc1 582864142 XOIXKCHXGJPAEL-KBXCAEBGSA-N 314.404 4.587 30 20 DJED N#CCCCCCC(=O)Nc1ccc2nc(C(F)F)sc2c1 588167131 VGMIKFNBJZPBIN-UHFFFAOYSA-N 323.368 4.646 30 20 DJED C=CCCCCCN(C)C(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 606816405 VXCSNBOJGLKIBZ-DOTOQJQBSA-N 303.446 4.540 30 20 DJED N#Cc1ccc(NCCCc2c[nH]c3ccccc23)cc1Cl 609511578 ASSQPVYYPKGOJW-UHFFFAOYSA-N 309.800 4.738 30 20 DJED CC(C)(C#N)CCSc1nc2ccc(C(F)(F)F)cc2[nH]1 610286054 SBTIBUQAZPXNEC-UHFFFAOYSA-N 313.348 4.614 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cc2c(s1)CCCC2 611392416 RAWPHEXUPTWCGM-IBGZPJMESA-N 322.477 4.666 30 20 DJED C[C@H](N[C@@H]1CCCc2c(Cl)cccc21)c1cccc(C#N)c1 612572481 LZKAWQFRBWWLDJ-ORAYPTAESA-N 310.828 4.940 30 20 DJED CC[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 619746780 KDFXVXSLOVGCPJ-KRWDZBQOSA-N 302.780 4.592 30 20 DJED COc1cc(C)c(C(C)=NNc2ccc(Cl)cc2)cc1OC 731312465 ODKRBZIRMSMPMU-UHFFFAOYSA-N 318.804 4.502 30 20 DJED CC[C@H](C#N)NC(=O)c1sc2cc(C(C)C)ccc2c1Cl 732658546 RAHURDTZNLBJFM-LLVKDONJSA-N 320.845 4.710 30 20 DJED C[C@H](Sc1nnc(-c2ccccc2)s1)c1ccc(C#N)cc1 735618929 LMWHDSQYTSFVKY-LBPRGKRZSA-N 323.446 4.930 30 20 DJED CCCc1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1 748508366 VYSLPCSUVKHABX-IBGZPJMESA-N 321.424 4.806 30 20 DJED C[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1cccc(C#N)c1 756625323 JKHBATLYMWHYOF-GJZGRUSLSA-N 320.436 4.554 30 20 DJED CC(C)(C)c1ncc(/C=C\C(=O)c2cc(F)ccc2F)s1 757476623 XKEZKPMRLWMHBY-ALCCZGGFSA-N 307.365 4.615 30 20 DJED Cc1cc(/C=C\C(=O)c2nc3ccccc3s2)cnc1Cl 760264134 QJIBGAHQKZKNEN-SREVYHEPSA-N 314.797 4.549 30 20 DJED O=C(/C=C/c1ccc(C(F)(F)F)s1)c1cccc(F)c1F 761481866 YVLPWJRWEYJWEL-GQCTYLIASA-N 318.266 4.941 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3)o2)s1 762446175 FNRJMEGHQIYXAE-RMKNXTFCSA-N 305.358 4.776 30 20 DJED C#CCCCCC(=O)Nc1cccnc1Oc1cccc(C)c1C 773270285 DSPIUPRPYSPJQM-UHFFFAOYSA-N 322.408 4.623 30 20 DJED C=CCC(C)(C)C(=O)Oc1cccc(NC(=O)OC(C)(C)C)c1 796920968 FESZHAMNUXXYPM-UHFFFAOYSA-N 319.401 4.541 30 20 DJED C=CCC(F)(F)C(=O)Nc1cccc(-c2ccccc2OC)c1 815549903 WLMSVJPDWXZTJR-UHFFFAOYSA-N 317.335 4.512 30 20 DJED CC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1O 841761716 KHGLICOCFZZUSE-MOPGFXCFSA-N 324.399 4.521 30 20 DJED CC(C)(C#N)c1ccc(-c2nc(-c3cccc(Cl)c3)no2)cc1 904289854 MUBOBXAPJCBPLX-UHFFFAOYSA-N 323.783 4.858 30 20 DJED Cc1ccc(C)c(C(=O)/C=C\c2cnc(-c3ccccc3)nc2)c1 917143368 ZUZBIKFKSSUXKL-KHPPLWFESA-N 314.388 4.657 30 20 DJED Cc1cc(C)c(/C=C\CN[C@H]2CCc3cc(C#N)ccc32)cc1C 1202243252 UOAGNQMVCIGXSL-XSAUMEDDSA-N 316.448 4.774 30 20 DJED N#Cc1cccc(CN2CCC[C@H]2c2ccccc2Cl)c1F 1249685322 JHYBLQZCILNRMB-KRWDZBQOSA-N 314.791 4.688 30 20 DJED Cc1cc(OCc2cc(Br)ccc2C)ccc1C#N 1307338052 RIQJKDTWWMGZED-UHFFFAOYSA-N 316.198 4.517 30 20 DJED CCOc1ccc(C#N)cc1NCc1cc2cc(C)c(C)cc2o1 1308428624 IIVBRIGBKUOPLJ-UHFFFAOYSA-N 320.392 4.932 30 20 DJED N#Cc1nc(N[C@@H]2CCC[C@@H](c3ccccc3)C2)ccc1Cl 1458362623 HDORRFDVKMLVQB-HUUCEWRRSA-N 311.816 4.745 30 20 DJED N#CC[C@H](CC(=O)Nc1c(F)cccc1Cl)c1ccccc1 1521733144 ZKCHQKZUYZRPMQ-CYBMUJFWSA-N 316.763 4.505 30 20 DJED C[C@@H](CC(=O)Nc1ccc(Cl)c(C#N)c1)C1CCCCC1 1523657476 ALSDBNMDHHNGNR-LBPRGKRZSA-N 304.821 4.757 30 20 DJED CCC1(C(=O)Nc2sc3c(c2C#N)CCCC3)CCCCC1 1530388224 IJOVPUDZYOLGEZ-UHFFFAOYSA-N 316.470 4.798 30 20 DJED CCC(CC)[C@H](NCCc1ccc(C#N)cc1)c1cccs1 1559692309 DXVUPVSFGFARPG-IBGZPJMESA-N 312.482 4.929 30 20 DJED CC[C@@H](c1ccccc1)N(C(=O)c1cccc(C#N)c1)C(C)C 1588017268 QGZRMKFDDACQKA-IBGZPJMESA-N 306.409 4.560 30 20 DJED Cc1cccc(CSc2ccccc2C#N)c1Br 1613552201 OILPAOZMWOKGHD-UHFFFAOYSA-N 318.239 4.922 30 20 DJED Cc1nnc(Nc2ccc3c(c2)C(C)(C)CC3(C)C)c(C#N)c1C 1639726118 NQNNPRQNQQRXMJ-UHFFFAOYSA-N 320.440 4.668 30 20 DJED C=C(Br)CN1CC2(CCCCC2)[C@H]1c1ccccc1 1643356069 PCNNDGMYKFHHGH-MRXNPFEDSA-N 320.274 4.902 30 20 DJED COc1cc2ccccc2cc1CNc1cc(C#N)ccc1C 1651183782 GRRFNYGGGHEQJG-UHFFFAOYSA-N 302.377 4.641 30 20 DJED Cc1ccccc1CN(CCC(C)(C)C#N)Cc1ccccc1 1652367069 NMBZKEVRONTMQG-UHFFFAOYSA-N 306.453 4.937 30 20 DJED CC1(C)CN(CCC2(C#N)CCCCC2)Cc2ccccc2O1 1653773769 PIFDVZZNQGQYGI-UHFFFAOYSA-N 312.457 4.524 30 20 DJED N#Cc1cc(F)ccc1CSc1ccc(Cl)cc1C#N 1656331547 FRFNWRNMGGFWQD-UHFFFAOYSA-N 302.761 4.515 30 20 DJED C[C@@H]1CCCN(C(=O)Nc2ccc(CC#N)cc2)c2ccccc21 1665115984 QCLQXJRTIOLPFO-OAHLLOKOSA-N 319.408 4.688 30 20 DJED CCCCCCC[C@H](C)CNc1ccc([N+](=O)[O-])c(C(=O)O)c1 1776782374 MMLGNYJEHJVNDN-ZDUSSCGKSA-N 322.405 4.702 30 20 DJED C[C@H](Nc1ccc(C#N)cc1)c1ccc(Br)s1 38001777 VTOTXOXSMFOHNN-VIFPVBQESA-N 307.216 4.555 30 20 DJED Cc1cccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 66800851 DLPFDPJESCZQGY-CQSZACIVSA-N 310.422 4.642 30 20 DJED N#Cc1ccccc1CNc1ccccc1CCC(F)(F)F 89119407 OMAZJEXGTPYVRE-UHFFFAOYSA-N 304.315 4.665 30 20 DJED CCC[C@H](CC)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 109028034 SSQSRLSVMDTMQM-KBPBESRZSA-N 319.474 4.781 30 20 DJED Cc1ccc(-c2nnc(S[C@H](C#N)C3CCCCC3)o2)cc1 115185912 DUYMCJMKEPEACV-OAHLLOKOSA-N 313.426 4.610 30 20 DJED CCCc1cccc(C(C)C)c1NC(=O)N[C@H](CC)CC#N 189973655 CIKJAXMCCNGHKZ-OAHLLOKOSA-N 301.434 4.576 30 20 DJED CCOc1ccc(/C=C\C(=O)c2cccc(C)c2)cc1OCC 210898658 YUMNBRCGUOKCGB-LUAWRHEFSA-N 310.393 4.689 30 20 DJED COCCCCN(CCCCC(C)(C)C#N)Cc1ccccc1 277720976 NJUDNYPRSLVBHA-UHFFFAOYSA-N 316.489 4.635 30 20 DJED C=C(C)[C@@H](N[C@@H](C)c1cc(C)ccn1)c1ccc(F)c(F)c1 286215866 SBNRPVSLSLKYPX-SCLBCKFNSA-N 302.368 4.636 30 20 DJED CC[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(C)cc1 353511204 BOCNEBSRIPLKPR-UXHICEINSA-N 320.436 4.650 30 20 DJED CCc1cnccc1[C@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 360664962 SXCDLQCLPBZOBS-YCRPNKLZSA-N 319.452 4.634 30 20 DJED CCC(CC)Oc1ccc(C(=O)Nc2ccccc2CC#N)cc1 410826373 IFNSTXJWUAXOFT-UHFFFAOYSA-N 322.408 4.572 30 20 DJED C[C@H](NCc1ccc(C#N)s1)[C@@H]1C[C@H]1c1ccc(Cl)s1 421348452 GFMWSISUKNHCIF-TVYUQYBPSA-N 322.886 4.616 30 20 DJED C=CCC(CC=C)C(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 467820735 ZXUBQZZUVXICOX-KSSFIOAISA-N 313.441 4.662 30 20 DJED N#Cc1csc(CN2CC=C(c3cccc(Cl)c3)CC2)c1 475445833 OTXOBUFIJMRYHZ-UHFFFAOYSA-N 314.841 4.562 30 20 DJED C=C[C@@](C)(CC)C(=O)N1CCC(c2cccc(Cl)c2)CC1 478270310 YIHLIJYUAPQWPP-SFHVURJKSA-N 305.849 4.648 30 20 DJED N#Cc1cc(Cl)ccc1CNc1ccc(CC(F)(F)F)cc1 478391169 LMUVFJYDFBBEJV-UHFFFAOYSA-N 324.733 4.929 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc2ccccc2n1)c1ccccc1 487798217 NNHIYKAABXOVNS-QGZVFWFLSA-N 302.377 4.533 30 20 DJED C=CCCC[C@H](C)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 494492939 IWMZPQMYKGIDJD-VUCTXSBTSA-N 311.828 4.644 30 20 DJED C=CCC[C@@H](NCc1cccc(CN2CCCC2)c1)c1ccco1 514087323 GOBAHFUTMCXWMK-HXUWFJFHSA-N 324.468 4.673 30 20 DJED COc1cc(CNc2ccc(C#N)c(C(F)(F)F)c2)ccc1C 517577308 PRSUIUDRFUBAMX-UHFFFAOYSA-N 320.314 4.506 30 20 DJED CC[C@@H](NCc1cc(C#N)ccc1OC)c1ccc(Cl)s1 542558905 FYPCWJAOOKQWCN-CYBMUJFWSA-N 320.845 4.523 30 20 DJED N#Cc1nc(Oc2cnc3ccc(Cl)cc3c2)ccc1Cl 557672821 JVOMYZMNBUPVCJ-UHFFFAOYSA-N 316.147 4.601 30 20 DJED Cc1ccccc1[C@H](N[C@@H]1CCc2ccc(C#N)cc21)C1CC1 562090454 TYWUQNYZHNLUNP-NHCUHLMSSA-N 302.421 4.595 30 20 DJED C=CCC(C)(C)C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C 570989254 STFYRJAGMUAHMB-CYBMUJFWSA-N 315.413 4.529 30 20 DJED CC(C)(CCC#N)CNCc1ccc(-c2ccccc2F)o1 582318130 ANABRJVOISDRMD-UHFFFAOYSA-N 300.377 4.505 30 20 DJED C=CCCCCCN(C)C(=O)C1(c2cccc(Cl)c2)CC1 606814918 YKIBAEWODLRORD-UHFFFAOYSA-N 305.849 4.576 30 20 DJED COc1ccc2ccccc2c1CN(CCCC#N)C1CCCC1 609075649 NNBFYSGREWUCQJ-UHFFFAOYSA-N 322.452 4.897 30 20 DJED CCCN(C(=O)c1ccccc1C)c1cc(Cl)ccc1C#N 609286606 YYDADSCGZQBITP-UHFFFAOYSA-N 312.800 4.577 30 20 DJED N#Cc1ccc(NN=C/C=C\c2ccccc2)cc1C(F)(F)F 726425785 HJADFFQQNYKAMF-AWVGZZLGSA-N 315.298 4.688 30 20 DJED Fc1ccc([C@@H]2CCCC2=NNc2ncccc2Cl)cc1 741162602 GXKLVBSDHRLRNY-ZDUSSCGKSA-N 303.768 4.610 30 20 DJED CC(C)(CCC#N)CNCc1cccc(-c2ccc(C#N)s2)c1 742371969 JXBYPSPXKRZTCB-UHFFFAOYSA-N 323.465 4.706 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1F 747003224 DLOUDTIPAZWRJE-UXBLZVDNSA-N 306.336 4.884 30 20 DJED Cc1ccsc1C(=O)/C=C/c1sccc1Br 764916989 HPGWVJPQAAIXOB-NSCUHMNNSA-N 313.241 4.777 30 20 DJED CC1(C)C(=NNc2nncc3ccccc23)C[C@H]1c1ccccc1 768476606 RRCJUYKTGVOHRM-KRWDZBQOSA-N 316.408 4.611 30 20 DJED CCSc1cccc(/C=C/C(=O)c2ccnc(Cl)c2)c1 769747204 XEIDXDXIBDVBFD-VOTSOKGWSA-N 303.814 4.743 30 20 DJED O=C(/C=C/c1scnc1C1CC1)c1ccccc1C(F)(F)F 782303172 WHTQXALGZPOFNV-BQYQJAHWSA-N 323.339 4.935 30 20 DJED C=CC[C@@H](OC(=O)c1ccc2oc(C)nc2c1)c1ccccc1 796862134 LATBTBIWPVABRX-QGZVFWFLSA-N 307.349 4.610 30 20 DJED Cc1ccc(-c2cncc(F)c2)cc1NCc1ccc(C#N)cc1 800879750 SQTPOMADCQELMF-UHFFFAOYSA-N 317.367 4.680 30 20 DJED Cc1ccc(-c2ccc(/C=C/C(=O)c3ccnc(O)c3)s2)cc1 806555314 BMEWVONWQPGNMF-SOFGYWHQSA-N 321.401 4.720 30 20 DJED C=CC[C@H](C(=O)N1Cc2cccc(Cl)c2C1)c1ccccc1 807716364 AGPPJDFNUOVRSZ-INIZCTEOSA-N 311.812 4.542 30 20 DJED N#Cc1c(F)cccc1/C=C\C(=O)c1cccc2ccccc12 811684739 CNRVGLXBOXOSPD-QXMHVHEDSA-N 301.320 4.747 30 20 DJED C=C(Cl)COc1ccc([C@@H](C)NCc2occc2C)cc1 813882653 GMFICZYQTTXXIK-CQSZACIVSA-N 305.805 4.570 30 20 DJED COc1ccc2cc(/C=C\C(=O)c3cccc(F)c3)ccc2c1 916134206 GIRYXOCVTNGSTO-POHAHGRESA-N 306.336 4.884 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2cccc(OC3CCCC3)c2)cc1 917517241 LMSHUSJYSLLAMM-RAXLEYEMSA-N 317.388 4.776 30 20 DJED Cc1ccccc1[C@@H](C)C(=O)Nc1ccccc1SCCC#N 932297559 UNBAMCTWTHBZLF-OAHLLOKOSA-N 324.449 4.743 30 20 DJED O=C(/C=C\c1ncc(-c2ccccc2)[nH]1)c1cc2ccccc2o1 1116023227 JYUJHSICNVCRGV-KHPPLWFESA-N 314.344 4.719 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2CCC[C@H]2C2CCCCC2)n1 1184936974 KFQGTFIGVWFCPL-KRWDZBQOSA-N 311.473 4.800 30 20 DJED CCC[C@H](C(=O)O[C@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1 1275465178 UATYEMXBBBEGFM-COXVUDFISA-N 319.832 4.849 30 20 DJED CC(C)N(Cc1cccc(C#N)c1F)[C@H](C)c1ccsc1 1307855618 YSPWPNHNVQVSBH-CYBMUJFWSA-N 302.418 4.730 30 20 DJED CCCC[C@](C)(F)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 1344507084 MKUYTLKRFCNPLH-ZBEGNZNMSA-N 310.438 4.535 30 20 DJED CC(C)(C)c1ccc(CCC(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1 1436649065 LAHILXUTDGFYFU-AEFFLSMTSA-N 313.441 4.542 30 20 DJED CC(C)c1ccc(/C=C/CC(=O)N2CCCC(C)(C)[C@H]2C#N)cc1 1459843304 WTLFLJKQOWDGPO-WSSFADSRSA-N 324.468 4.754 30 20 DJED C[C@@H]1CCC[C@H](OCc2cccc(Nc3cccc(C#N)n3)c2)C1 1472675450 WLEUBTDMQMNTOH-BEFAXECRSA-N 321.424 4.792 30 20 DJED Cc1cc(Nc2cccc(F)c2C#N)cnc1N1CCCC[C@@H]1C 1472741262 YGOFNHCWSSWZFB-AWEZNQCLSA-N 324.403 4.523 30 20 DJED CC(C)Cc1ccccc1C(=O)O[C@H](C)c1ccc(C#N)cc1 1531747269 HCKXBQXLHUZUIE-OAHLLOKOSA-N 307.393 4.675 30 20 DJED CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)c(C#N)c1 1537049574 NODGDTZLCPJQKM-GUYCJALGSA-N 318.848 4.546 30 20 DJED C[C@H](C#N)CNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 1559122854 UCLWWRJKGVDRJI-GFCCVEGCSA-N 322.799 4.522 30 20 DJED N#CCC[C@H](Nc1cnc2cc(Cl)ccc2n1)c1ccccc1 1559145372 SYAQBSGLVVLAKV-HNNXBMFYSA-N 322.799 4.740 30 20 DJED C[C@]1(C#N)CCCN(Cc2cccc(Oc3ccc(F)cc3)c2)C1 1621196892 QRJYSEZVTHOGDU-HXUWFJFHSA-N 324.399 4.744 30 20 DJED C[C@H](Nc1nc(C2CCCCC2)ns1)c1cccc(C#N)c1 1640396573 OOOSUUCZKHIGAO-LBPRGKRZSA-N 312.442 4.631 30 20 DJED CCSCc1cccc(Nc2nc(C#N)c(Cl)s2)c1 1642309879 OUAOLQHDHFZHFS-UHFFFAOYSA-N 309.847 4.665 30 20 DJED Cc1cccc(C)c1[C@H]1CCCN1Cc1ccc(OCC#N)cc1 1659383697 IPBABZBRVPXSNP-HXUWFJFHSA-N 320.436 4.543 30 20 DJED C[C@H]1CCCN(C(=O)Nc2ccc(F)cc2C#N)c2ccccc21 1659661552 JXFVAAVRRDDJHH-ZDUSSCGKSA-N 323.371 4.633 30 20 DJED CC[C@@H](C)[C@H]1CCC(=NNc2ccc(Cl)c(C(=O)O)c2)C1 1776033906 WXYISCCXYUUKDH-MNOVXSKESA-N 308.809 4.652 30 20 DJED Cc1ccc(C(=O)/C=C\c2cc(C(=O)O)c(Cl)s2)c(C)c1 1776133387 VRIBNJHBLJUPKF-XQRVVYSFSA-N 320.797 4.613 30 20 DJED CC(C)c1cccc(C(=O)/C=C\c2cc(C(=O)O)ccc2F)c1 1776375413 MOVIXZZDADMZFN-CLFYSBASSA-N 312.340 4.543 30 20 DJED C=CCSc1ccccc1NC(=O)CSc1ccccc1 15819134 SBKLAPFGKFDPAX-UHFFFAOYSA-N 315.463 4.696 30 20 DJED CCC1(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)CCC1 176100356 YWOHRPIWDKOQEY-LLVKDONJSA-N 318.829 4.706 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCc1cccc(F)c1F 178391416 QLDFIUKQCWIJNR-GFCCVEGCSA-N 318.392 4.971 30 20 DJED C[C@H](C#N)Oc1ccccc1NCc1ccc2ccccc2c1 182576892 DIONHDJNMBYWSL-OAHLLOKOSA-N 302.377 4.743 30 20 DJED CC#CCCCC(=O)Nc1ccc(SCc2cccnc2)cc1 185098886 KCPPLHNHSXCWSP-UHFFFAOYSA-N 324.449 4.506 30 20 DJED C=C[C@@H](CC(=O)Nc1cnn(C2CCCC2)c1C)c1ccccc1 192716967 QPXVAXBZELSRDJ-INIZCTEOSA-N 323.440 4.605 30 20 DJED C[C@@H](c1ccccc1Cl)N(C)Cc1cc(F)ccc1C#N 229957924 JRNYTBQLWIBBNI-LBPRGKRZSA-N 302.780 4.544 30 20 DJED Cc1nc2ccccc2nc1S[C@@H](C)c1ccc(C#N)cc1 303701607 OCIVFPIMSIFEQP-ZDUSSCGKSA-N 305.406 4.663 30 20 DJED C[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccccc1OC(F)F 314034568 CRCIZXHAXLKJNN-JTQLQIEISA-N 322.742 4.986 30 20 DJED CC[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)C1CCCCC1 315398561 GYLUZSKJCPOMSC-DNVCBOLYSA-N 300.446 4.598 30 20 DJED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@@H]2CCC[C@H](C(C)(C)C)CC2)C1 328983667 FUAJSPCHSQKSGQ-XQLPTFJDSA-N 308.466 4.693 30 20 DJED O/C(=N/Cc1noc2c1CCCC2)[C@@H]1CCC[C@@H]2CCCC[C@H]21 329479032 UZOJWMOKSOUSGV-RRFJBIMHSA-N 316.445 4.616 30 20 DJED N#CCCC[C@H](NC[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 353916933 RZUOBAYEFATMQJ-ACRUOGEOSA-N 304.437 4.815 30 20 DJED C=CCC[C@H](C(=O)NC[C@@H]1CCCC(F)(F)C1)c1ccccc1 410248512 AEAPJEZJTZVJHV-WBVHZDCISA-N 321.411 4.678 30 20 DJED CCSc1cccc(-c2noc(C3(C#N)CCCCC3)n2)c1 426581157 TXNMMRJMSWBAQO-UHFFFAOYSA-N 313.426 4.574 30 20 DJED N#C[C@H]1CC[C@H](Sc2ncc(C(F)(F)F)cc2Cl)C1 430172541 XPRKSDCGEZLHSZ-CBAPKCEASA-N 306.740 4.538 30 20 DJED CSc1ccc(Cl)cc1NCc1ccc(F)c(C#N)c1 467773039 SIUJGJBGULNEPS-UHFFFAOYSA-N 306.793 4.685 30 20 DJED C=CCC(CC=C)C(=O)Nc1cc(C(=O)CC)ccc1Cl 471432307 RZNKRKOTEQMOTQ-UHFFFAOYSA-N 305.805 4.640 30 20 DJED Cc1cccc(C)c1[C@@H](C)NC(=O)C[C@@H](CC#N)c1ccccc1 476689534 MHGGGEJSHLSZQA-IEBWSBKVSA-N 320.436 4.568 30 20 DJED C=CC[C@H](C(=O)N[C@H]1CCC[C@H](SCC)C1)c1ccccc1 489675749 RBQNSNAYBMOASO-BZSNNMDCSA-N 317.498 4.527 30 20 DJED C=C[C@H](CC(=O)N[C@@H](C)CCCC(F)(F)F)c1ccccc1 494900542 KALWIHXHDKISIV-UONOGXRCSA-N 313.363 4.584 30 20 DJED CSc1ccccc1C[C@H](C)N[C@H](C)c1ccc(C#N)cc1 541221016 JEELMPHKVCOTTC-LSDHHAIUSA-N 310.466 4.562 30 20 DJED CCN(C(=O)c1occc1C(C)C)c1ccc(C#N)c(Cl)c1 556424116 AKJBSQMGBCDSHH-UHFFFAOYSA-N 316.788 4.595 30 20 DJED C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)CCCCCC#N 588632086 QUEJEMGUUGRGGP-HUUCEWRRSA-N 320.864 4.764 30 20 DJED Cc1cc(NC(=O)CC2(C#N)CCCCC2)c(Cl)cc1F 598843499 CBHKDAOWKQPZON-UHFFFAOYSA-N 308.784 4.590 30 20 DJED Cc1cc(C)cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 609377937 SCNDYASPARZMCJ-HNNXBMFYSA-N 324.449 4.808 30 20 DJED CSc1ccc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1 618804854 MQLYYXBOQWASRV-ORAYPTAESA-N 308.450 4.618 30 20 DJED C=C[C@@H](CC(=O)N1CCc2ccccc2[C@H]1CC)c1ccccc1 677552918 SGFQMOFJCWLFNB-LAUBAEHRSA-N 319.448 4.882 30 20 DJED CCCCCC1=CCCC1=NNc1ncnc2sccc12 725817730 LZISENGIIDFPRM-UHFFFAOYSA-N 300.431 4.760 30 20 DJED CCC(CC)CN(CCC#N)C(=S)Nc1ccc(C)c(C)c1 729642225 IAXDAYYQXNDRRT-UHFFFAOYSA-N 317.502 4.652 30 20 DJED COc1cc(C)c(C(=O)/C=C\c2ccc(Cl)s2)cc1OC 731317686 DBTQEPSTDUMHQC-XQRVVYSFSA-N 322.813 4.623 30 20 DJED N#Cc1ccc(/C=C2\CSc3c(Cl)cccc3C2=O)cc1 731939390 OMVNUKJXCRAHSG-MDWZMJQESA-N 311.793 4.584 30 20 DJED Fc1cccc(C=NOCc2csc(C3CCCCC3)n2)c1 744179660 BLGLSMCXFGDZAK-UHFFFAOYSA-N 318.417 4.881 30 20 DJED C[C@@H](C(=O)O[C@H](C)c1cccc(C#N)c1)c1ccc(Cl)s1 750698527 YBWRAFLCFBCKMG-GHMZBOCLSA-N 319.813 4.681 30 20 DJED CCCCCCCCC/C=C\C(=O)NC1(C#N)CCSCC1 756027094 CDSIFRPBWARKSQ-KHPPLWFESA-N 322.518 4.589 30 20 DJED COc1cc(/C=C2/CCCC(C)(C)C2=O)c(SC)cc1OC 757534973 PGLRDURGQGHVNE-XFXZXTDPSA-N 320.454 4.588 30 20 DJED C=CCCC(=O)O[C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 763960811 BFQMDEXXHSMPKP-LBPRGKRZSA-N 319.788 4.874 30 20 DJED O=C(/C=C\c1cncs1)c1ccc(Oc2ccccc2)cc1 767717951 IHDBSVUXPVBLMP-KHPPLWFESA-N 307.374 4.832 30 20 DJED O=C(/C=C/c1cccc(-c2ccccn2)c1)c1cccc(F)c1F 776268003 JCWLYQBDCMDQES-ZHACJKMWSA-N 321.326 4.923 30 20 DJED C#CCCCCCC(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 779864813 HDOUNFLBWXKPDB-INIZCTEOSA-N 311.425 4.926 30 20 DJED CC1(C)C/C(=C\c2nc(Cl)cs2)C(=O)c2ccccc21 794967461 DUYLTNUVBOPNNK-JXMROGBWSA-N 303.814 4.744 30 20 DJED C#CCCCCCC(=O)Nc1cc(-c2cncc(F)c2)ccc1C 801091541 ACJDDKSBVIFKTE-UHFFFAOYSA-N 324.399 4.718 30 20 DJED CC(C)Oc1ccc([C@H](C)Nc2nc(Cl)c(C#N)s2)cc1 804355197 SDQFUSUYZXNCMF-JTQLQIEISA-N 321.833 4.628 30 20 DJED C[C@@H]1CCc2c(F)cccc2[C@H]1Nc1nc(Cl)c(C#N)s1 804537420 UMFDDXHICNITFW-OQPBUACISA-N 321.808 4.543 30 20 DJED CC(C)c1cccc([C@H](C)NCc2ccc(OCC#N)cc2)c1 858377065 UVWQVHVWNQRISV-INIZCTEOSA-N 308.425 4.563 30 20 DJED Cc1ccc(C=NN(Cc2ccccc2)c2ccccc2)c(O)c1 864179206 LNYOHCJTUIRSSH-UHFFFAOYSA-N 316.404 4.741 30 20 DJED C=CCc1ccc(OC(=O)[C@H](CC)c2ccccc2)c(OC)c1 875122160 JKPXZCXHKLJBFL-QGZVFWFLSA-N 310.393 4.523 30 20 DJED C=CCOc1ccccc1-c1nc(-c2cccc(Cl)c2)no1 904289590 FJMAFILBANQPEW-UHFFFAOYSA-N 312.756 4.622 30 20 DJED Cc1cc([C@@H](C)/N=C\c2cc3ccccc3nc2O)c(C)s1 914701435 IHVYCNMEARJHKV-FGHSJCFPSA-N 310.422 4.799 30 20 DJED CCOc1ccc(N=Cc2c(O)ccc3ccccc23)cc1OC 920947211 GARJHPUAKPMQKT-UHFFFAOYSA-N 321.376 4.703 30 20 DJED Cc1ccc(C#N)cc1C(=O)N(c1ccc(Cl)cc1)C(C)C 1125148158 XAVUYSACDSIHAV-UHFFFAOYSA-N 312.800 4.575 30 20 DJED C[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C1CCCCCC1 1127860610 XQCHDJOEWICWET-HNNXBMFYSA-N 312.457 4.576 30 20 DJED CC[C@H]1CCC[C@H]1NC(=O)Nc1scc(C(C)(C)C)c1C#N 1218513460 FPIBRWAECDOJBF-SMDDNHRTSA-N 319.474 4.617 30 20 DJED C[C@@H](Nc1c(C#N)cnc2c(Cl)cccc12)c1cccs1 1307098269 MJPXIILYAVVNBD-SNVBAGLBSA-N 313.813 4.994 30 20 DJED Cc1cc(C#N)ccc1CN1CCC(=Cc2cccc(F)c2)CC1 1307595382 BWMVLKNMNBOAEO-UHFFFAOYSA-N 320.411 4.685 30 20 DJED CC(C)CC[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cc1Cl 1307691837 UZZRFQQIWVWEPC-YJBOKZPZSA-N 304.865 4.906 30 20 DJED CC(C)(C)c1ccccc1-c1nnc(-c2ccc(C#N)cc2)o1 1328350107 WVEGSCXYQXQSRH-UHFFFAOYSA-N 303.365 4.573 30 20 DJED CCCCCCCCCCC(=O)N1CC[C@H]2OCCC[C@@H]2C1 1333757087 LKLIFWSCULXZQR-QZTJIDSGSA-N 309.494 4.545 30 20 DJED Cc1c(C#N)cccc1NC(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1 1435497092 PFBZLNSGHLWBEQ-OCCSQVGLSA-N 324.346 4.564 30 20 DJED CC[C@H]1CCC[C@@H]1C(=O)Nc1cc(C(C)(C)C)sc1C#N 1435745553 DBHWXJBYQGPCCT-RYUDHWBXSA-N 304.459 4.682 30 20 DJED CCCN(c1ncc(C#N)cc1Cl)[C@H](CC)c1ccccc1 1458133436 CPGMHMLHXFFFKA-QGZVFWFLSA-N 313.832 4.974 30 20 DJED Cc1cc(N[C@H]2CCCC2(C)C)n2c(nc3ccccc32)c1C#N 1458218725 GNPXAASXBVBNNP-KRWDZBQOSA-N 318.424 4.658 30 20 DJED C[C@H]1CCN(Cc2cccc(F)c2C#N)c2ccccc2S1 1474520791 CBOJHOAEMSPEMP-ZDUSSCGKSA-N 312.413 4.588 30 20 DJED CC[C@@H]1CCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1523648290 DDTXXMPIHCZXGX-XQQFMLRXSA-N 316.470 4.509 30 20 DJED C=C(CNC(=O)c1ccc(Oc2ccccc2)o1)c1ccccc1 1527971942 AVJPXSLHCFQQLH-UHFFFAOYSA-N 319.360 4.515 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc2ccccc2c1 1537068653 ZLIKYSKBPWTVJZ-OAHLLOKOSA-N 314.388 4.545 30 20 DJED Cc1csc(NC(=O)N(C)[C@H]2CCC[C@H]2C(C)(C)C)c1C#N 1562766741 ONZCFEDGORHWMV-KGLIPLIRSA-N 319.474 4.607 30 20 DJED C=C(CNC(=O)[C@@H](C)c1ccc2ccccc2c1)c1ccccc1 1596357696 WHHHGTMSTKKKKF-KRWDZBQOSA-N 315.416 4.773 30 20 DJED CC[C@H]1CN(Cc2ccc(C#N)c(C)c2)CC[C@@H]1c1ccccc1 1621133550 ZTLIDHWIZDOKJL-UGKGYDQZSA-N 318.464 4.882 30 20 DJED CC[C@](C)(NCc1ccc(Cl)cc1C#N)c1ccc(F)cc1 1644112082 FVRDVQJGZIYDKJ-SFHVURJKSA-N 316.807 4.766 30 20 DJED Cc1ccc(-c2cccc(CNc3ncc(C#N)cc3F)c2)cc1 1650870554 LULBKMBIGSZARK-UHFFFAOYSA-N 317.367 4.680 30 20 DJED N#Cc1cccc(CN2CCC[C@H](CCCc3ccccc3)C2)c1 1652944563 QKKFPTZXLUPSAD-FQEVSTJZSA-N 318.464 4.793 30 20 DJED CCc1cccc(CN2CCC(c3ccc(C#N)cc3)CC2)c1 1654932767 OWJIIPYUOAGZMG-UHFFFAOYSA-N 304.437 4.500 30 20 DJED Cc1cc(C)cc(C2CCN(Cc3ccc(F)c(C#N)c3)CC2)c1 1655017195 UTZUXWNGGQTPBD-UHFFFAOYSA-N 322.427 4.694 30 20 DJED CC1(F)CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 1655223208 ZTBNIIMDGHMGOJ-UHFFFAOYSA-N 308.400 4.549 30 20 DJED CCC(F)(F)C(C)(C)C=NNc1ccc(Cl)c(C(=O)O)c1 1776034038 ITVPMXZKSJNYOD-UHFFFAOYSA-N 318.751 4.507 30 20 DJED CC(C)c1ccc(C(=O)/C=C/c2ccc(F)c(C(=O)O)c2)cc1 1776370525 WUBOUPJWYQFFEA-ONNFQVAWSA-N 312.340 4.543 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1cc(C)cc(C)c1 1776783724 GBRCPOKWYOCMPL-GOSISDBHSA-N 305.462 4.597 30 20 DJED N#Cc1cccc(CN[C@@H](c2ccccc2)c2ccc(F)cc2)c1 48367598 QARLUKOSNKNTOB-NRFANRHFSA-N 316.379 4.577 30 20 DJED N#Cc1cccc(CSc2cccc(Br)c2)c1 55307725 MNGRPNKTNIGVSX-UHFFFAOYSA-N 304.212 4.613 30 20 DJED CCN(C(=O)c1ccc(C#N)cc1)[C@H](C)c1cc2ccccc2o1 55604880 YEQZYQRTXBNOHK-CQSZACIVSA-N 318.376 4.528 30 20 DJED CC(C)Oc1ccccc1/C=C/C(=O)c1ccc(F)c(F)c1 57435322 XORCAPXAGOLPDB-CSKARUKUSA-N 302.320 4.648 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccccc1 77687451 VGQKPKSLFJZQLN-UHFFFAOYSA-N 304.374 4.539 30 20 DJED Cc1c(NCC(C)(C)CCC#N)cccc1OCC(F)(F)F 92161682 DPXAGPJOTGVXPN-UHFFFAOYSA-N 314.351 4.678 30 20 DJED N#Cc1cccc(CN[C@@H]2CCc3cc(Cl)cc(Cl)c32)c1 134311912 BPFYAAXRDCPBTI-MRXNPFEDSA-N 317.219 4.642 30 20 DJED C=C[C@@H](CC(=O)N1CCC[C@@H]1c1ccsc1)c1ccccc1 153716485 NCJZHLLDXBYTKK-MAUKXSAKSA-N 311.450 4.772 30 20 DJED C[C@@H](Nc1ccc(F)cc1OCC(F)F)c1cccc(C#N)c1 179855144 DRIOLLKNPBNXOL-LLVKDONJSA-N 320.314 4.514 30 20 DJED C=C(C)CN(C)C(=O)Nc1cc2oc3ccccc3c2cc1OC 180018597 ATRWEUVVUYYASO-UHFFFAOYSA-N 324.380 4.634 30 20 DJED C[C@H](N[C@@H](C)c1ccccc1Cl)c1ccc(OCC#N)cc1 192936019 RBCLSWACFCNCQS-KBPBESRZSA-N 314.816 4.654 30 20 DJED N#Cc1cccc(/C=C2/CCC/C(=C/c3cccc(C#N)c3)C2=O)c1 225501199 LENALXRGKSPEKI-FDYZEBBJSA-N 324.383 4.650 30 20 DJED N#CCOc1ccc(CN[C@@H](CC2CCC2)c2ccccc2)cc1 271817128 BRGKLWSHMBUXSM-NRFANRHFSA-N 320.436 4.610 30 20 DJED Cc1nc(C(C)(C)/N=C(/O)c2occc2C(C)C)sc1C 330502311 BJTJBPOUUPAKDQ-UHFFFAOYSA-N 306.431 4.716 30 20 DJED C[C@@H](NCC(C)(C)CCC#N)c1ccc(-c2ccncc2)cc1 348222931 WRLKCHRXWWMTRG-MRXNPFEDSA-N 307.441 4.729 30 20 DJED N#CCCCCN1CCC(c2ccc(Cl)cc2Cl)CC1 428722893 IJNAVAAXKYVTKK-UHFFFAOYSA-N 311.256 4.867 30 20 DJED C=CCC[C@@H](NC(=O)C1CC=CC1)c1ccc(C(F)(F)F)cc1 441579108 ZLNCTCJFJJHADU-MRXNPFEDSA-N 323.358 4.795 30 20 DJED N#C[C@@H]1CC[C@H](N[C@@H](CCc2ccccc2)c2ccccc2)C1 471599585 ULUJTWZEYSNJHQ-GIVPXCGWSA-N 304.437 4.642 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC)cc1 479861282 ANQANIASJBOCER-UHFFFAOYSA-N 321.424 4.565 30 20 DJED C=CCOc1cccc(NC(=O)[C@@H](CC=C)c2ccccc2)c1 488723566 WTNAOGMDOFDDKD-IBGZPJMESA-N 307.393 4.550 30 20 DJED C=C[C@H]1CCCCN1C(=O)c1ccc(-c2ccccc2Cl)o1 488845799 ZJEAIZWINNZPOD-ZDUSSCGKSA-N 315.800 4.781 30 20 DJED Cc1cccc(NCc2cc(C#N)ccc2Br)c1C 492607549 NANGRMCZMSMBQU-UHFFFAOYSA-N 315.214 4.550 30 20 DJED C=CCOc1ccc(CN[C@H](C)c2ccccc2SC)cc1 500450962 KRAXETANFLVNRU-OAHLLOKOSA-N 313.466 4.824 30 20 DJED C=C(C)CCc1noc(-c2sc(-c3cccs3)nc2C)n1 508644237 BJVVJZJYUXMZNH-UHFFFAOYSA-N 317.439 4.739 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)N(C)Cc1cccc(C#N)c1 510084132 WPKHCNHWTXODCW-IBGZPJMESA-N 312.457 4.513 30 20 DJED CCC[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCCC2 515677660 PUOHXPNOALROSW-LBPRGKRZSA-N 304.459 4.653 30 20 DJED C=C[C@H](CC(=O)NC[C@H]1CCCCC(F)(F)C1)c1ccccc1 552653817 CZTFMDPERLXNNI-JKSUJKDBSA-N 321.411 4.678 30 20 DJED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1Cl 552969330 MXLZDHBOBIEHMC-DJJJIMSYSA-N 310.828 4.940 30 20 DJED Cc1nsc(Sc2nc(-c3ccccc3)cs2)c1C#N 584431655 WBJOYUIEWDREOG-UHFFFAOYSA-N 315.448 4.598 30 20 DJED CCN(C(=O)c1cc2cccc(C)c2s1)c1ccc(C#N)cc1 588934170 NKEFJBJTMQBDNN-UHFFFAOYSA-N 320.417 4.748 30 20 DJED CCCn1ncc(N[C@@H]2CCCc3cc(C#N)ccc32)c1C1CC1 590779164 XVQBSMZBIWPORO-GOSISDBHSA-N 320.440 4.532 30 20 DJED N#CCCSCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 600555822 MBSVTDHNJSYWIF-UHFFFAOYSA-N 313.266 4.871 30 20 DJED C[C@@H](NCc1ccc(-c2ccc(F)cc2)o1)c1cccc(C#N)c1 610344640 BUQCHYLQBNQSQJ-CQSZACIVSA-N 320.367 4.808 30 20 DJED C=C(CNC(=O)CCCCCc1cccs1)c1ccccc1 672482367 HVWXYJRELTZDDV-UHFFFAOYSA-N 313.466 4.681 30 20 DJED CC(C)(C)c1ccc(CCCCC(=O)OCCCC#N)cc1 727018715 XYNYLDOPDMFWCK-UHFFFAOYSA-N 301.430 4.544 30 20 DJED N#CCOc1cccc(/C=C/c2nc(-c3ccccc3)cs2)c1 730150858 FJBLUTHOFAWVSN-MDZDMXLPSA-N 318.401 4.883 30 20 DJED COc1ccc(/C=C\C(=O)c2cccc3ccccc23)cc1C#N 741840292 NSXYGHYTJSNEJA-LUAWRHEFSA-N 313.356 4.616 30 20 DJED COc1cc(C)c([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1C 753631959 HQASQQGUBVLXET-HZPDHXFCSA-N 308.425 4.596 30 20 DJED Cc1[nH]c2ccccc2c1C(=O)/C=C/c1cnc(C(C)C)s1 758430003 NUWFEGATUAAYSF-CMDGGOBGSA-N 310.422 4.952 30 20 DJED C=CCN(C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C)C(C)C 758910282 BPSGONMUDGYOKG-INIZCTEOSA-N 324.415 4.658 30 20 DJED CCc1cccc2c(C=Nn3c(CC)nc4ccccc43)c[nH]c12 767373764 OPPOYTDPVVGPFA-UHFFFAOYSA-N 316.408 4.525 30 20 DJED CC(C)(C)c1nn(-c2ccccc2)cc1/C=C\C(=O)c1ccco1 769769708 CDMHTSSKUVFTOF-QXMHVHEDSA-N 320.392 4.659 30 20 DJED CC(C)(C)OCc1ccc(Nc2snc(Cl)c2C#N)cc1 771238754 MQGPLUSRJIJFDS-UHFFFAOYSA-N 321.833 4.727 30 20 DJED CC(C)[C@H](Cc1ccccc1)N[C@H](C)c1ccc(OCC#N)cc1 779030287 QNUPQQRVXXUBPM-UTKZUKDTSA-N 322.452 4.507 30 20 DJED CC(C)Oc1ccc(NCc2cnc3ccccc3c2)cc1C#N 779605376 ZMTNRQJHEKWSKH-UHFFFAOYSA-N 317.392 4.506 30 20 DJED C[C@H](CC(=O)OCCCC(C)(C)C#N)c1c[nH]c2ccccc12 787224812 KAMPZGAKRUTKCU-CQSZACIVSA-N 312.413 4.535 30 20 DJED N#C[C@@H]1CC[C@H](NCCCCCCOc2ccc(Cl)cc2)C1 799723459 JNHSODUGODXTHZ-WBVHZDCISA-N 320.864 4.561 30 20 DJED COc1ccc2cc([C@H](C)SCCO[C@H](C)C#N)ccc2c1 802750728 CFMXEWKAIGHQGM-KGLIPLIRSA-N 315.438 4.571 30 20 DJED N#Cc1sc(N2CCC[C@@H]2c2ccccc2Cl)nc1Cl 804360782 PIRMVCUVCVXUKO-LLVKDONJSA-N 324.236 4.663 30 20 DJED CCCC[C@H](C(=O)[C@@H](C#N)c1nc(C2CC2)cs1)C(C)C 857034301 ZADJAWOGGVZFKM-UONOGXRCSA-N 304.459 4.659 30 20 DJED C=C(C)[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccc(F)c(F)c1 864013206 MYVQGJAZAMGVRK-INIZCTEOSA-N 322.286 4.741 30 20 DJED CCCCCCCC(=O)N(CCC)Cc1ccc(C#N)cc1 914481623 CSXAMSWKVZIZIX-UHFFFAOYSA-N 300.446 4.657 30 20 DJED C=CCN(C(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(C)C 914683210 LBBIJCACBHVGGQ-UHFFFAOYSA-N 313.372 4.655 30 20 DJED CCc1c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)oc2ccccc12 916131507 GVHGGSRJCGFIIX-ZHACJKMWSA-N 321.332 4.800 30 20 DJED CCc1ccc([C@@H](C)CC(=O)N(CC)c2ccc(C#N)cc2)cc1 1126426198 TXZRANWZHIGWMC-INIZCTEOSA-N 320.436 4.667 30 20 DJED CC(C)C1CCC(CNc2ccccc2O[C@@H](C)C#N)CC1 1178285172 MFCYYXYKCFKOBO-GTPINHCMSA-N 300.446 4.852 30 20 DJED CC(C)c1cnc(S[C@H](C#N)Cc2ccccc2)n1C1CC1 1307305813 PEFPTOILOLMGIM-INIZCTEOSA-N 311.454 4.568 30 20 DJED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C 1310419277 ZWYFXTAVUQOEPW-NVXWUHKLSA-N 313.445 4.593 30 20 DJED C=CCC1(c2nnc(CSc3ccc(C)cc3)o2)CCC1 1345562163 MSMLQDNQZQYUKD-UHFFFAOYSA-N 300.427 4.668 30 20 DJED CC(C)c1c(Nc2cccc(F)c2C#N)cnn1-c1ccccc1 1458364158 IXPPBZVMFRGQHB-UHFFFAOYSA-N 320.371 4.750 30 20 DJED Cc1c(C(=O)O[C@@H]2CCC[C@H](C#N)C2)sc2cc(F)ccc12 1528490807 SYOFYYRWLLQTKC-WCQYABFASA-N 317.385 4.588 30 20 DJED Cc1ccc(C#N)cc1C(=O)Nc1cc(Cl)c(C)c(Cl)c1 1528753119 PUSLXQIDHFHRQH-UHFFFAOYSA-N 319.191 4.734 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2ccc(Oc3ccccc3)o2)c1 1528801747 DGMTWGGDMRVOJM-UHFFFAOYSA-N 318.332 4.504 30 20 DJED N#Cc1ccc(CN(C(=O)CCCC2CCCCC2)C2CC2)cc1 1536687644 YVLJNYSEUDMIPC-UHFFFAOYSA-N 324.468 4.800 30 20 DJED C[C@@H](OC(=O)c1ccc(-c2ccccc2)o1)c1cccc(C#N)c1 1544194420 UTXDJIIWIXQUOS-CQSZACIVSA-N 317.344 4.736 30 20 DJED CCCC[C@H](Nc1cc(C)c(C#N)cn1)c1ccc(OC)cc1 1559098340 SWDZXEZFLXKCDA-SFHVURJKSA-N 309.413 4.614 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)CCc1cccc2ccccc12 1585575238 UIHWVVFPZIZLAV-UHFFFAOYSA-N 322.452 4.703 30 20 DJED CCc1ccc(CCN(CC(C)C)c2ccc(C#N)cc2)cc1 1616012629 CBALQFJBAMAOKW-UHFFFAOYSA-N 306.453 4.826 30 20 DJED C[C@H]1CC(C)(C)C[C@H]1Nc1ccc(Oc2ccnc(C#N)c2)cc1 1620956162 JTUMOZAIENNTTQ-IFXJQAMLSA-N 321.424 4.982 30 20 DJED N#CCOc1ccc(CN(c2ccccc2F)C2CCCC2)cc1 1644840184 HVWCMQGZXCJSBV-UHFFFAOYSA-N 324.399 4.677 30 20 DJED Cc1cccc(COc2cccc(Nc3ncccc3C#N)c2)c1 1651550053 RQBFFVNIJRZVGC-UHFFFAOYSA-N 315.376 4.584 30 20 DJED CCOc1ccc(C#N)cc1NC[C@H](C)c1cccc(Cl)c1 1657712569 CKDNKHIFGVBRSV-ZDUSSCGKSA-N 314.816 4.826 30 20 DJED CCn1c2ccccc2c2cc(CNCC(C)(C)CC#N)ccc21 1658102178 JTRINIHMGKBSKN-UHFFFAOYSA-N 319.452 4.844 30 20 DJED Cc1cc(C#N)cc(NC(=O)N(C)c2ccc3ccccc3c2)c1 1678412977 IOLTVBQORMSMEI-UHFFFAOYSA-N 315.376 4.688 30 20 DJED O=C(O)c1ccccc1NN=Cc1ccc(-c2ccsc2)cc1 1776031850 AELGXWCYSTWJEY-UHFFFAOYSA-N 322.389 4.559 30 20 DJED CC(C)=CCC/C(C)=C/C=NNc1cccc(C(=O)O)c1C 1776086420 SZWHEJQSTZQBAU-XHOSPMEYSA-N 300.402 4.784 30 20 DJED CCCCOc1ccc(/C=C/C(=O)c2ccc(C#N)cc2)cc1 16405927 NVMDZTIESROREZ-MDWZMJQESA-N 305.377 4.633 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1cc(Cl)ccc1C 43357317 NOHHXCWMAFVJKG-UHFFFAOYSA-N 320.845 4.930 30 20 DJED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c(C)o1 73976855 GBBFHKCZCYALMA-HNNXBMFYSA-N 322.389 4.510 30 20 DJED C[C@H](SCc1ccc(F)cc1C#N)c1nc2ccccc2o1 183269999 FPMCAAUYYZPMBG-NSHDSACASA-N 312.369 4.833 30 20 DJED C#CCCCC(=O)N(CC)[C@H](c1ccccc1)c1ccc(F)cc1 192284004 PJIAXAOQOMPAHV-OAQYLSRUSA-N 323.411 4.567 30 20 DJED COc1ccc(C)cc1[C@H](C)NCc1ccccc1C(C)(C)C#N 271611484 BOPIZCMTJLVEAG-INIZCTEOSA-N 322.452 4.656 30 20 DJED Cc1cccc([C@H]2CCCN2c2ccc3cc(C#N)ccc3n2)c1 301972617 IJHRRURLZAOJHQ-HXUWFJFHSA-N 313.404 4.756 30 20 DJED OC(=Nc1cccc(NC2CCCC2)c1)[C@H]1CCc2cccnc21 329367154 ISXYDQYKARNBKP-SFHVURJKSA-N 321.424 4.754 30 20 DJED CC(C)c1ccsc1/C(O)=N/[C@H](C)c1nc(C(C)(C)C)no1 330930762 QQUATXXOWNIRCK-SNVBAGLBSA-N 321.446 4.618 30 20 DJED C=C(C)C(C)(C)C(=O)Nc1cnn(-c2ccccc2)c1C(C)C 424803974 NCMRTTULOYGWHZ-UHFFFAOYSA-N 311.429 4.537 30 20 DJED Cc1ccc(-c2cnc(CSc3ccccc3C#N)o2)cc1 439700612 SVVQMVYFAVWQPD-UHFFFAOYSA-N 306.390 4.814 30 20 DJED N#C[C@@H]1CC[C@@H](Nc2cccc(COc3cccc(F)c3)c2)C1 442861639 UPXGDJIQFIRHHK-RDTXWAMCSA-N 310.372 4.509 30 20 DJED Cc1coc(-c2cc(NC3CCC(C)(C#N)CC3)ccc2C)n1 449057851 ZADNXJWAHBOCIP-UHFFFAOYSA-N 309.413 4.843 30 20 DJED CC[C@H](CC(=O)N(CCC#N)C(C)(C)CC)c1ccccc1 471177259 OXANKKMSFDNVLC-MRXNPFEDSA-N 300.446 4.501 30 20 DJED C[C@H](C#N)C(=O)Nc1ccc(Cl)cc1-c1ccc(Cl)cc1 473559266 DPPCHHSYYLISIU-SNVBAGLBSA-N 319.191 4.759 30 20 DJED CCCCC[C@H]1CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 476384909 FYILXTMTOWTBQY-SFHVURJKSA-N 312.457 4.673 30 20 DJED Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2ccc(C#N)s2)cc1 487567589 BQJSWQWXISWHCC-KDOFPFPSSA-N 324.449 4.542 30 20 DJED C=CCC[C@H](C(=O)Nc1ccc(COCC)cc1)c1ccccc1 489670349 AKWFTWDZBIQODT-FQEVSTJZSA-N 323.436 4.912 30 20 DJED C=CCN(CCc1ccccc1)C(=O)CC(C)(C)c1ccccc1 499305813 IHDSWWGFPNMEDF-UHFFFAOYSA-N 321.464 4.612 30 20 DJED CC(C)(C)CN(Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 508255942 FHVBQRTZYNKGCG-UHFFFAOYSA-N 321.424 4.638 30 20 DJED CCOc1ccc(C#N)cc1NC(=O)[C@H](C)CC1CCCCC1 510502755 RNGCUWFYOKSAIW-CQSZACIVSA-N 314.429 4.502 30 20 DJED C[C@@H](CN[C@H](CC(F)(F)F)c1ccc(F)cc1)C(F)(F)F 538177557 ZROKYJFNTXYALK-GZMMTYOYSA-N 317.248 4.607 30 20 DJED CC1CCN(c2cccc(N[C@H](C)c3ccc(C#N)cc3)c2)CC1 539742067 XZCYJEVWCIUUOT-QGZVFWFLSA-N 319.452 4.968 30 20 DJED C[C@H](CCC(C)(C)C)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 543507364 ZMPBSRCEDFDSAD-OAHLLOKOSA-N 312.457 4.512 30 20 DJED C=C(C)COc1cccc(NC(=O)N2C[C@H](C)c3ccccc32)c1 551115908 VXHLYWYSQAPABP-HNNXBMFYSA-N 322.408 4.797 30 20 DJED CC[C@@](C)(C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1C 586778330 RDNSXVCRWFXYMD-IBGZPJMESA-N 308.381 4.666 30 20 DJED CCCCN(C(=O)CCCCCC#N)[C@H](C)c1ccccc1 588327924 KCPYIQJEMFIEAC-QGZVFWFLSA-N 300.446 4.850 30 20 DJED CCC(CC)[C@@H](NC(=O)CCCCCC#N)c1cccs1 588890092 WTPHVPHKZYFWOM-QGZVFWFLSA-N 306.475 4.816 30 20 DJED C=CCOc1ccc(CNCc2ccc(C)c(F)c2)cc1Cl 589638958 JLKCTIPCLNINPQ-UHFFFAOYSA-N 319.807 4.642 30 20 DJED CCN(Cc1cccc(-c2ccncc2)c1)C[C@@H](C)CCC#N 602661073 CQTIZTRSJCSDOA-KRWDZBQOSA-N 307.441 4.510 30 20 DJED Cc1nc(-c2ccc(OCc3ccc(C#N)cc3F)cc2)cs1 609311854 VLAIQBBLLKTYRJ-UHFFFAOYSA-N 324.380 4.708 30 20 DJED C=CCCCSCC(=O)Nc1ccc(Cl)cc1Cl 609805043 OIMRPLIENKMEAP-UHFFFAOYSA-N 304.242 4.631 30 20 DJED Cc1ccccc1[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)C1CC1 611392692 DPZJEPDAHSYAAV-YADHBBJMSA-N 316.448 4.985 30 20 DJED CCOc1ccc(/C=C2/Cc3c(C)cccc3C2=O)cc1OCC 729150795 MSEFFETVWOXGSQ-WJDWOHSUSA-N 322.404 4.615 30 20 DJED C=CC[C@@H](NCc1ccc2c(c1)CCC(C)(C)O2)c1ccncc1 734509087 GUIBCZXIJKZMAZ-LJQANCHMSA-N 322.452 4.592 30 20 DJED O=C(/C=C\c1cccc(Oc2ccccc2)c1)c1cncc(F)c1 737445986 JYLBNGQSAJOFEU-KTKRTIGZSA-N 319.335 4.909 30 20 DJED CSc1ccc2c(c1)CCCC2=NNc1ncccc1Cl 748132461 BGKMKBXQFIWHFG-UHFFFAOYSA-N 317.845 4.609 30 20 DJED COc1ccc2cc(C(=O)/C=C\c3ccc(C#N)s3)ccc2c1 748995272 YOXUTXJSEGAJBO-HJWRWDBZSA-N 319.385 4.678 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2ccc(-c3ccncc3)cc2)s1 749006463 WHYJRTHPJHZINY-FPLPWBNLSA-N 316.385 4.578 30 20 DJED C=C(Cl)CN1CCC[C@@H]1c1nc2ccccc2n1C(C)C 749366284 JNONGWOOAGXGPH-MRXNPFEDSA-N 303.837 4.507 30 20 DJED C[C@H]1CC(=NNc2nccnc2Cl)C[C@H](c2ccccc2)C1 749858095 HAFHBFNRRUURNN-TZMCWYRMSA-N 314.820 4.502 30 20 DJED CC(C)(C)c1ncc(/C=C2\Cc3c(F)cc(F)cc3C2=O)s1 751536782 UPSKPBXXIDORMN-RUDMXATFSA-N 319.376 4.541 30 20 DJED Cc1ccc(OC(F)F)c(C(=O)/C=C\c2cccnc2Cl)c1 762606269 YSZKZTCQORKYMW-WAYWQWQTSA-N 323.726 4.541 30 20 DJED C=CC[C@@H](N[C@@H](C)c1ccc(OC(F)F)cc1)c1ccncc1 766021395 SPYDWTLABARDRG-SUMWQHHRSA-N 318.367 4.651 30 20 DJED O=C1/C(=C\c2cccc(-c3cccnc3)c2)Cc2cc(F)ccc21 768490400 OSSKPPSNIDATLV-ZDLGFXPLSA-N 315.347 4.710 30 20 DJED C[C@@H](C#N)Oc1ccc(CN2CCCC3(CCCCC3)C2)cc1 769404820 QIAJXEQSJHCLEB-KRWDZBQOSA-N 312.457 4.524 30 20 DJED CCCC(=NNc1ccnc(Br)c1)c1ccsc1 785460877 FYCANZBBQMHYRK-UHFFFAOYSA-N 324.247 4.522 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(Cl)s2)c(C)c1OC 806568759 AXZGELOOIXXUJY-XQRVVYSFSA-N 322.813 4.623 30 20 DJED C[C@H]1/C(=C\c2cn(C)nc2-c2cccs2)C(=O)c2ccccc21 809157350 SGXACTBOTLWXOK-HMHNVIDESA-N 320.417 4.532 30 20 DJED O=C(/C=C/c1csc2ccccc12)c1ccc2c(c1)OCO2 810195975 SVXZHMPPLQNFDB-FNORWQNLSA-N 308.358 4.526 30 20 DJED CCCCCCCSc1nnc(C2CC2)n1Cc1ccco1 915791334 KBOHGFJTOJPTKM-UHFFFAOYSA-N 319.474 4.859 30 20 DJED Clc1ccccc1NN=Cc1ccc(Br)s1 916262652 RSFXSDVWIYBJQC-UHFFFAOYSA-N 315.623 4.610 30 20 DJED CC(C)(C)c1nc2ccc(Nc3ncccc3C#N)cc2s1 1162652481 LLSKYKIBTJTGBP-UHFFFAOYSA-N 308.410 4.604 30 20 DJED CC(C)c1ccc(CC2CCN(c3cccc(C#N)n3)CC2)cc1 1162994574 IQUSLCRZVDPAKL-UHFFFAOYSA-N 319.452 4.536 30 20 DJED Cc1ccc(C[C@H](C#N)Sc2ccc(Cl)cc2C#N)cc1 1165755614 RNFGCWODJUZHIJ-MRXNPFEDSA-N 312.825 4.747 30 20 DJED Cc1nsc(NC2CCC(C)(c3ccccc3)CC2)c1C#N 1185767291 SRUHULDCLHVBDB-UHFFFAOYSA-N 311.454 4.636 30 20 DJED N#Cc1c(F)cccc1N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 1186176432 YETKZGCZFJTVPD-POAQFYNOSA-N 320.411 4.860 30 20 DJED C[C@@H](CCC#N)CN(CCc1ccc(Cl)cc1)CC1CC1 1204651202 MPZGYQUHIVEFSA-HNNXBMFYSA-N 304.865 4.534 30 20 DJED Cc1cc(CNc2cccc(Oc3ccccc3)n2)ccc1C#N 1308549641 MTFLOZLNJMKCEQ-UHFFFAOYSA-N 315.376 4.666 30 20 DJED CC(C)c1ccc([C@@H]2CCCN2c2cccc(CC#N)n2)cc1 1321328612 GMGJPOBMGZMZSG-IBGZPJMESA-N 305.425 4.613 30 20 DJED N#Cc1cccc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)c1 1322453836 JBWXIGZIHCZPJS-UHFFFAOYSA-N 316.147 4.582 30 20 DJED C=CCC1(c2nnc(-c3ccc(Cl)cc3OC)o2)CCCC1 1346652321 LZKNJCYIHAUVBN-UHFFFAOYSA-N 318.804 4.787 30 20 DJED CC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C(C)(C)C)sc1C#N 1435745545 DBHWXJBYQGPCCT-NEPJUHHUSA-N 304.459 4.682 30 20 DJED CC1(C)CCC[C@H]1NCc1ccc(-c2ccccc2C#N)cc1 1459956974 ZYAOBKZGJAYWCV-HXUWFJFHSA-N 304.437 4.894 30 20 DJED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)[C@@H](C)c1ccc(Cl)cc1 1462205500 YPLSKKFZEGMILH-LAPQFRIASA-N 324.855 4.981 30 20 DJED N#Cc1ccc(CN[C@@H]2CCCC23CCCCC3)cc1Cl 1474471156 VAGJGLZSCXUKLK-QGZVFWFLSA-N 302.849 4.804 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)CC1(C#N)CCCCC1 1519854058 QMTTXYQMUPZVBZ-DLBZAZTESA-N 318.505 4.819 30 20 DJED C[C@@H]1c2c(sc(NC(=O)c3cccs3)c2C#N)CC[C@H]1C 1527535771 MUJHEHKVIMUPQR-ZJUUUORDSA-N 316.451 4.619 30 20 DJED CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 1528625445 GQSQSJJBLLNUCW-HUUCEWRRSA-N 322.408 4.971 30 20 DJED C[C@@H](c1ccccc1)N(Cc1ccc(C#N)s1)CC1CCC1 1559552643 IMRHDKKLSXKLLC-HNNXBMFYSA-N 310.466 4.983 30 20 DJED C[C@@H]1CCC[C@H]1NCCC(C#N)(c1ccccc1)c1ccccc1 1559749208 JCXNJUKZWRYTEH-WIYYLYMNSA-N 318.464 4.665 30 20 DJED N#CCC1(CNCc2ccc(-c3ccc(Cl)cc3)cc2)CC1 1560457564 IQDCMBWEKSXJOK-UHFFFAOYSA-N 310.828 4.790 30 20 DJED CCC[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)C(C)(C)C 1564398986 WPECFGKZZDZPTD-SJORKVTESA-N 315.461 4.545 30 20 DJED CC[C@@H](C)Oc1cc(CNc2cccc(C#N)c2C)ccc1OC 1620955229 XDNAENCXRIYYMS-CQSZACIVSA-N 324.424 4.665 30 20 DJED CC(C)c1ccc(CC2CCN(c3ncccc3C#N)CC2)cc1 1639746414 WLLZZPKYQPBKDK-UHFFFAOYSA-N 319.452 4.536 30 20 DJED CC(C)c1ccc(O[C@@H](C)CNC2CCC(C)(C#N)CC2)cc1 1651063171 DADODDFDTFISCD-VQSBYGRUSA-N 314.473 4.639 30 20 DJED CCc1nc(C(C)C)ccc1COc1ccc(C#N)c(Cl)c1 1652785624 NZOHVVSZCOCVKK-UHFFFAOYSA-N 314.816 4.871 30 20 DJED CC(C)(C)[C@@H]1CCCC(=NNc2cccc(C(=O)O)c2)CC1 1776037094 UVYXGYJHRHRCTL-CQSZACIVSA-N 302.418 4.779 30 20 DJED CC(C)c1ccc(NN=Cc2cc(C(=O)O)c(Cl)s2)cc1 1776060157 GXCMRIZFBRBELZ-UHFFFAOYSA-N 322.817 4.669 30 20 DJED O=C(O)/C=C\c1ccc(/C=C\C(=O)c2ccc(C3CCC3)cc2)o1 1777624030 KACGAXGWOWYLPD-MIMPSMLTSA-N 322.360 4.541 30 20 DJED N#Cc1ccc(CNc2ccc(Br)cc2Cl)cc1 37388788 LNDIXXKISJGMBI-UHFFFAOYSA-N 321.605 4.586 30 20 DJED C[C@@H](NC[C@@H](C#N)CCC#N)c1ccccc1Oc1ccccc1 112540706 IPKPULJDEPAKBU-IAGOWNOFSA-N 319.408 4.573 30 20 DJED CCc1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)cc1 113524690 SKIFQZUITJGKJQ-UHFFFAOYSA-N 323.396 4.576 30 20 DJED C=CC[C@@H](C)N[C@H](C)c1ccc(SC(F)F)c(OC)c1 180952649 KSSJHXNGBJQCMP-GHMZBOCLSA-N 301.402 4.625 30 20 DJED CC(C)c1ccc([C@H](NCc2cc(C#N)n(C)c2)C(C)C)cc1 190697779 FLMBOWQDEBYFMM-HXUWFJFHSA-N 309.457 4.507 30 20 DJED CC(C)Oc1cccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 192991086 QFTAPMDMRLKCSJ-HOTGVXAUSA-N 308.425 4.757 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2ccc3c4c(cccc24)CC3)cc1 212109820 RCAYDKJPGLREGM-JYRVWZFOSA-N 309.368 4.706 30 20 DJED Cc1cc([C@@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)c(C)s1 237705170 GWTKBLXUABGINH-GXTWGEPZSA-N 314.454 4.507 30 20 DJED O/C(=N/CCc1ccon1)C1(C2CCCCC2)CCCCC1 329087417 HHLRMAGHLTXZLY-UHFFFAOYSA-N 304.434 4.704 30 20 DJED O/C(=N/C1CCCC1)[C@H]1CC[C@H](/C(O)=N\C2CCCC2)CC1 329443715 LKYVCJPQUVSFOC-HDJSIYSDSA-N 306.450 4.591 30 20 DJED CC(C)(C)C1CCC(C#N)(/N=C(/O)[C@H]2CCCSC2)CC1 329843808 XMSXOWHXMPCDLD-CBCUQQMYSA-N 308.491 4.585 30 20 DJED Cc1nc(/C(O)=N/[C@@H](c2ccc(F)cc2F)C(C)(C)C)c(C)o1 330514280 HACILYSYTDVHGQ-HNNXBMFYSA-N 322.355 4.662 30 20 DJED C=CC[C@H](CC)NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 410133938 FSBBFVXOKORFOT-AVGNSLFASA-N 312.240 4.568 30 20 DJED CCc1occc1C(=O)Nc1sc(-c2ccccc2)cc1C#N 430394190 ONOJCNLTODSKMV-UHFFFAOYSA-N 322.389 4.694 30 20 DJED C=CCCCC(=O)Nc1ccc(Oc2ccccc2)cc1OC 437920625 ZJJSLAFGAQBAEX-UHFFFAOYSA-N 311.381 4.782 30 20 DJED N#Cc1ccc(CNC2(c3ccccc3)CCCC2)c(Cl)c1 439451730 LOHCOEMGPRRFEB-UHFFFAOYSA-N 310.828 4.771 30 20 DJED COc1cc(CNc2cc(Cl)ccc2SC)ccc1C#N 440652828 ZIZVBNKMEPCBFL-UHFFFAOYSA-N 318.829 4.554 30 20 DJED CC[C@H](C)n1ncc(NCc2ccc(C#N)c(C)c2)c1C1CC1 443998805 WRUQKWYYEOEPRA-AWEZNQCLSA-N 308.429 4.524 30 20 DJED C=C(C)Cn1c(C(C)C)nnc1N1CCCC[C@@H]1c1ccccc1 460930422 HZWRXOQXWBKHSF-GOSISDBHSA-N 324.472 4.709 30 20 DJED N#CC[C@H](CC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 474082146 RTKVWBFNEKFELC-CYBMUJFWSA-N 316.763 4.505 30 20 DJED Cc1ccc([C@H](C)N(C)C(=O)C[C@H](CC#N)c2ccccc2)cc1 474714781 YDOAMBBEYXGZCA-PXNSSMCTSA-N 320.436 4.602 30 20 DJED C=CC1CCN(C(=O)Nc2cccc(-c3ccccc3)c2)CC1 495476596 VPNWDSDEIPRIEQ-UHFFFAOYSA-N 306.409 4.784 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1nc2ccccc2s1 501721059 CTIUWRGSXFCILA-UHFFFAOYSA-N 314.454 4.505 30 20 DJED CCCC[C@@H](C)N(C)C(=O)c1sc2ccc(C#N)cc2c1C 565943040 JOSSUPSAGKFDBW-GFCCVEGCSA-N 314.454 4.732 30 20 DJED COc1ccccc1-c1ccc(CNCC(C)(C)CCC#N)cc1 572745089 FKMLKRKRBKYAEI-UHFFFAOYSA-N 322.452 4.782 30 20 DJED C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(F)c2ccccc12 579401525 PQGRLIXLFJAORA-OAHLLOKOSA-N 318.395 4.896 30 20 DJED C=CCCc1ccccc1NC(=O)C1(c2cccnc2)CCCC1 579940580 CRTQMHHHDZPYFT-UHFFFAOYSA-N 320.436 4.651 30 20 DJED C[C@H](Nc1nc2c(cc1C#N)CCCC2)c1cc2ccccc2o1 589798902 QHYCTGPDJHKJPK-ZDUSSCGKSA-N 317.392 4.751 30 20 DJED CCC[C@@H](NC(=O)[C@@H](C#N)CC)c1ccc(Cl)c(Cl)c1 593439571 IQXACZGAVRAHBG-QMTHXVAHSA-N 313.228 4.501 30 20 DJED CCCCc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1 609050649 JNDKHXBPNCKLBQ-UHFFFAOYSA-N 312.438 4.832 30 20 DJED COc1cccc(NN=C(C)c2cc(Cl)sc2Cl)c1 725854956 HJWSCRSUSPFUAI-UHFFFAOYSA-N 315.225 4.900 30 20 DJED C#Cc1cccc(N(C(=O)c2ccc3ccccc3c2)C(C)C)c1 728248643 ZNZKWOPCTZHGFY-UHFFFAOYSA-N 313.400 4.876 30 20 DJED CC(C)COc1ccc(C(=O)/C=C\c2cccnc2Cl)cc1 728700692 UCKQWKVBRWUTBC-YFHOEESVSA-N 315.800 4.666 30 20 DJED N#C[C@@H](C(=O)/C=C/C1CCCCC1)c1ccc2ccccc2n1 735593995 SGEMICCDJWGMOU-JIIJFUIFSA-N 304.393 4.548 30 20 DJED Cc1cc(C)cc(/C=C\C(=O)c2c(Cl)nc3sccn23)c1 741842676 BARAXEGLMOMTDB-ARJAWSKDSA-N 316.813 4.562 30 20 DJED CC(=NO[C@@H]1CCCCO1)c1ccc(Cl)c(C(F)(F)F)c1 755814540 MPMKPFJGCHFKTN-CYBMUJFWSA-N 321.726 4.626 30 20 DJED CC(C)(C)c1cc(NC(=O)c2cc(Cl)cs2)c(C#N)s1 758872922 IMBPTVPNCDHFJY-UHFFFAOYSA-N 324.858 4.884 30 20 DJED Fc1ccc(C=NNc2ncccc2Cl)c(Cl)c1Cl 761782798 QSWGMBCQKMANLU-UHFFFAOYSA-N 318.566 4.627 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2cc(Cl)ccc2Cl)s1 762443868 SOAFGWDUPHIVOX-KTAJNNJTSA-N 308.189 4.823 30 20 DJED COc1ccsc1C(=O)/C=C\c1ccc(C(F)(F)F)cc1 769745202 ZPYPNGFEVYIPPH-DAXSKMNVSA-N 312.312 4.672 30 20 DJED C=CC[C@@H](N[C@@H]1CCCc2c(C)ccc(C)c21)c1ccncc1 769970097 RQMNKIUWBIOMIY-WOJBJXKFSA-N 306.453 4.983 30 20 DJED C#CCCCCCC(=O)Nc1sc(-c2ccccc2)cc1C#N 779857005 JTVZSTHJQIPGTF-UHFFFAOYSA-N 322.433 4.809 30 20 DJED C#CCCCCCC(=O)N1CC[C@@H](c2ccccc2)[C@@H](CC)C1 779931590 RFWKIMJIOYPNRR-AZUAARDMSA-N 311.469 4.612 30 20 DJED C=C[C@@](C)(CC)C(=O)OCc1coc(-c2cccc(Cl)c2)n1 785756632 BZEGBEIPJOBQCJ-KRWDZBQOSA-N 319.788 4.641 30 20 DJED C=CCC[C@H](N[C@@H](C)C[C@@H](O)c1ccc(F)cc1)c1ccco1 789743682 JMNWOMFJLNMHMI-JCGIZDLHSA-N 317.404 4.528 30 20 DJED Clc1ccc([C@@H]2CCCC2=NNc2cncnc2)cc1Cl 794975997 BENDUGOZAVBSHW-LBPRGKRZSA-N 321.211 4.519 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N1CC[C@@H](OC)C[C@H]1C 799423505 ZAWGMVMYRMJNDD-RCCFBDPRSA-N 311.510 4.789 30 20 DJED CC(=NNc1ccc(Cl)c(Cl)c1)c1ccc(C)nc1C 814796943 XNWBGBPZKIOHCC-UHFFFAOYSA-N 308.212 4.841 30 20 DJED CC(=NNc1cc(C)cc(C)c1)c1cnn(-c2ccccc2)c1C 818251941 BYNBQCGXXDSPMB-UHFFFAOYSA-N 318.424 4.634 30 20 DJED CC1=C(C)C[C@H](C(=O)[C@H](C#N)c2nc(C(C)C)cs2)CC1 842730155 VXWSFKDAFSFQSS-KGLIPLIRSA-N 302.443 4.579 30 20 DJED C=CC[C@@H](NC(=O)C[C@@H](C)CCC=C(C)C)c1ccncc1 843548660 HBXFEXMKUSMKDS-FUHWJXTLSA-N 300.446 4.588 30 20 DJED C[C@H](CC(=O)N(O)Cc1cccc2ccccc12)c1ccccc1 901367847 MBJXPVZSLUZSPR-MRXNPFEDSA-N 319.404 4.751 30 20 DJED CCCCCCC[C@@H](C)N[C@@H](C(=O)O)c1ccc(F)c(C)c1 901844036 SEGRAGGLPUZQMB-RHSMWYFYSA-N 309.425 4.598 30 20 DJED C[C@@H](NCc1cccc(OCC#N)c1)c1cc2ccccc2s1 1116721371 HIKRHFXZSDQVRK-CQSZACIVSA-N 322.433 4.654 30 20 DJED CC(C)CC1(C)CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 1141751259 KDXBFOMPXBIUBD-UHFFFAOYSA-N 318.848 4.500 30 20 DJED N#Cc1cnc(Oc2cc(C(F)(F)F)ccc2F)c(Cl)c1 1186721423 YATKKMCCFSIVRO-UHFFFAOYSA-N 316.641 4.557 30 20 DJED C[C@@H]1C[C@@H](C)N(CCC(C#N)(c2ccccc2)c2ccccc2)C1 1307489108 IDGXUIPYUYNSEI-RTBURBONSA-N 318.464 4.617 30 20 DJED CSc1ccc(C(=O)/C=C\c2ncc(-c3ccccc3)[nH]2)cc1 1320864647 BGXZYAOQQKUCSP-QXMHVHEDSA-N 320.417 4.695 30 20 DJED CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(Cl)c(C#N)c1 1352798961 PYAWWGFJPHJFAB-ZDUSSCGKSA-N 304.821 4.757 30 20 DJED N#Cc1nc(N2CCC[C@H]2CCC2CCCCC2)sc1Cl 1458252949 HYKPRXRPQJOFEF-ZDUSSCGKSA-N 323.893 4.997 30 20 DJED CCN(Cc1ccc2ccccc2c1)Cc1ccc(C#N)s1 1459351553 UWZIXPMGNKJDDD-UHFFFAOYSA-N 306.434 4.795 30 20 DJED CCSc1ccccc1CN1CCCc2cc(C#N)ccc21 1460167534 CIKSORILEMXDFM-UHFFFAOYSA-N 308.450 4.623 30 20 DJED CCCc1ccc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)s1 1461771357 ZEILNYNEELLEBO-UHFFFAOYSA-N 324.449 4.772 30 20 DJED Cc1oc2ccc(NC(=O)c3ccc(C#N)c(Cl)c3)cc2c1C 1537725617 HRACVUJNIRFMLN-UHFFFAOYSA-N 324.767 4.827 30 20 DJED CC[C@H](C)CC(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@H]2C 1544389906 FJVBGCIXPCEFOG-SDDRHHMPSA-N 304.459 4.680 30 20 DJED CCOc1ccc(C#N)cc1N[C@@H]1CC[C@@H](Cc2ccccc2)C1 1621238967 JHENNUHGROMBFX-PKOBYXMFSA-N 320.436 4.780 30 20 DJED N#Cc1nc(NCc2ccc(C3CCC3)cc2)sc1Cl 1642570032 ZIIKLVCUZUINJY-UHFFFAOYSA-N 303.818 4.548 30 20 DJED C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(F)(F)F 1643706747 ROQYDMRCYNFKFF-JTQLQIEISA-N 308.328 4.663 30 20 DJED C[C@H](Nc1ccc(C#N)cn1)[C@H](C)c1ccccc1C(F)(F)F 1650880785 GBGSTOPYRWJFKJ-RYUDHWBXSA-N 319.330 4.576 30 20 DJED Cc1cc(NC[C@@H](c2ccc(Cl)cc2)C(C)C)ncc1C#N 1651044974 GMQKNZCLOJXANT-QGZVFWFLSA-N 313.832 4.767 30 20 DJED Cc1nc(C#N)cc(Sc2ccc(C3CCCCC3)cc2)n1 1654977489 DFUDYUDJMUNTPS-UHFFFAOYSA-N 309.438 4.856 30 20 DJED CC(C)Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1 41544746 HFTOXJBSPSMZFC-INIZCTEOSA-N 318.376 4.516 30 20 DJED C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(CCCCC#N)C1 129133578 FRWMSABKVOYSAH-XJKSGUPXSA-N 310.363 4.782 30 20 DJED C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(CCCCC#N)C1 129133939 FRWMSABKVOYSAH-BBRMVZONSA-N 310.363 4.782 30 20 DJED CCCCCCCC(=O)N(Cc1ccco1)c1ccccn1 129494826 RKJDGSRNMKYQDY-UHFFFAOYSA-N 300.402 4.568 30 20 DJED CCCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N 216876897 VXSCYAXGXMUKJB-UHFFFAOYSA-N 312.800 4.545 30 20 DJED N#Cc1ccc(F)c(CNc2ccnc3ccc(Cl)cc23)c1 301414804 ALYWBJCCNSKUPX-UHFFFAOYSA-N 311.747 4.511 30 20 DJED CCc1ccc(C(=O)/C=C/C=C/c2ccccc2[N+](=O)[O-])s1 303095923 FQZJUBCSBHLSJT-GZFKCFCKSA-N 313.378 4.671 30 20 DJED C=CCC[C@@H](NCc1c[nH]nc1C)c1ccc(C(F)(F)F)cc1 345014744 GRCPVTJIXHEZSV-MRXNPFEDSA-N 323.362 4.534 30 20 DJED CC[C@H](C)c1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1 355899200 XYFRQUKNZXWLCV-HBWSCVEGSA-N 320.396 4.622 30 20 DJED C=CC[C@@H](C)N[C@H](c1ccc(Br)s1)C1CC1 381722842 MDCLCLILHOKOTE-RNCFNFMXSA-N 300.265 4.516 30 20 DJED CC(C)c1ccc(C(=O)Nc2ccc(Cl)cc2CC#N)s1 410973427 VYGVONWFDGYGDB-UHFFFAOYSA-N 318.829 4.843 30 20 DJED N#CCC1(CN[C@@H](CCc2ccccc2)Cc2ccccc2)CC1 430742256 LCJPTENMROPTAW-NRFANRHFSA-N 318.464 4.514 30 20 DJED N#Cc1cc2c(nc1SCCCCC(F)(F)F)CCCC2 443515509 BGWLGTVPMWQSCD-UHFFFAOYSA-N 314.376 4.657 30 20 DJED FC(F)(F)CCCCN(CCC(F)(F)F)CC(F)(F)F 447827138 MXCWLJKLJUQSQK-UHFFFAOYSA-N 319.211 4.536 30 20 DJED N#Cc1ccc(N2CCC[C@@H]2c2ccsc2)c(C(F)(F)F)c1 463443098 WPJASXQGDJGVGI-CQSZACIVSA-N 322.355 4.980 30 20 DJED C=CC[C@@H](CC)NC(=O)N1CCC[C@@H]1c1cc(C)ccc1C 466397708 VASQJWWAXGFDQT-SJLPKXTDSA-N 300.446 4.505 30 20 DJED Cc1c(Cl)cccc1NC(=O)C[C@H](CC#N)c1ccccc1 474084829 SULZECDZEVZPNM-HNNXBMFYSA-N 312.800 4.675 30 20 DJED C=CCOc1ccc(CN[C@@H]2CCCc3ccc(F)cc32)cc1 475500479 CCIFMYPSHDYKSI-HXUWFJFHSA-N 311.400 4.558 30 20 DJED C[C@H](NC(=O)CC(C)(C)C#N)c1ccccc1Oc1ccccc1 493644632 SQLLHAFVRGCSGT-HNNXBMFYSA-N 322.408 4.596 30 20 DJED CO[C@H](CSc1cccc(C#N)c1)c1ccc(Cl)cc1 509075561 RCTVENKAHYDRER-MRXNPFEDSA-N 303.814 4.691 30 20 DJED C=CCN(CC=C)C(=O)Nc1ccccc1Oc1ccccc1 515107488 VGIZWZPSVBQFCU-UHFFFAOYSA-N 308.381 4.685 30 20 DJED C=C(C)CN(CC)C(=O)c1ccc(-c2ccc(F)cc2)cc1F 521570540 GDSYQKCBQOZNNP-UHFFFAOYSA-N 315.363 4.670 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc2nc(C)sc2c1 524609996 OPQIDIOJLQFZIE-UHFFFAOYSA-N 317.458 4.815 30 20 DJED N#CCC1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1 540982468 RIMRZNNRUBCDGB-UHFFFAOYSA-N 319.408 4.511 30 20 DJED N#CCCCNCc1ccc(-c2ccc(C(F)(F)F)cc2)s1 543411516 PMZSCNMMUYSOLZ-UHFFFAOYSA-N 324.371 4.827 30 20 DJED CC[C@@H](Nc1cnn(CC(C)C)c1C1CC1)c1ccc(C#N)cc1 562106119 AKAYROPRBRQVOS-GOSISDBHSA-N 322.456 4.851 30 20 DJED C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(CC#N)cc1Cl 562557598 PSKVBORPJGYGTC-TZMCWYRMSA-N 304.821 4.561 30 20 DJED C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cc2ccccc2o1 564493938 BXSPKGWRORVCBS-SCLBCKFNSA-N 302.377 4.643 30 20 DJED C=CCCCCCN(C)C(=O)[C@H]1C[C@H]1c1ccccc1Cl 573142470 XBJLFJONSMSBKI-HOTGVXAUSA-N 305.849 4.648 30 20 DJED CCC(CC)[C@H]1C[C@H](N[C@@H](CC)c2ccc(C#N)cc2)CCO1 583243392 UAQDELWMRCMJEH-HSALFYBXSA-N 314.473 4.583 30 20 DJED Cc1cc2cc(CN[C@H]3CCCc4cc(C#N)ccc43)ccc2[nH]1 586796479 GOCZIOVIBZBQAZ-NRFANRHFSA-N 315.420 4.515 30 20 DJED C=C(C)COc1cccc(NC(=O)N(C)CC2CCCCC2)c1 589741164 UZDXIUQGGWRPCS-UHFFFAOYSA-N 316.445 4.686 30 20 DJED N#CC1(CCCSc2ccc(Cl)c(F)c2)CCOCC1 593436060 DLPNNMNMAIXQEE-UHFFFAOYSA-N 313.825 4.672 30 20 DJED N#Cc1cccc(NC(=O)Nc2ccc(OC3CCCC3)cc2)c1 603839571 DGEZQRDMCWCSJY-UHFFFAOYSA-N 321.380 4.524 30 20 DJED Cc1c(C(=O)N[C@@H](C#N)CC(C)C)oc2c1ccc1ccccc12 608821114 NOSAEZBYCGDHPU-OAHLLOKOSA-N 320.392 4.563 30 20 DJED C=CC[C@@H](CC)NC(=O)N(CCCC)[C@@H](C)c1ccc(C)o1 684929063 CSLGIMNIWZRBDI-JKSUJKDBSA-N 306.450 4.815 30 20 DJED C#Cc1cccc(N(CC)C(=O)c2cc(CCC)c(C)s2)c1 728481102 JIDGHHAANQATTQ-UHFFFAOYSA-N 311.450 4.657 30 20 DJED CCC(=NNc1ncnc2sc(-c3ccccc3)cc12)C1CC1 741161215 LKTGTZZJJULJDU-UHFFFAOYSA-N 322.437 4.946 30 20 DJED COCc1cccc(/C=C\C(=O)c2cccc3ccccc23)c1 742429489 RZCQZZMQOUGDCR-SEYXRHQNSA-N 302.373 4.882 30 20 DJED C=C[C@H](CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1 758179028 CENGWOMWNYKGRN-QGZVFWFLSA-N 320.436 4.585 30 20 DJED Cc1cccc([C@H]2CCCN2Cc2ccc(O[C@@H](C)C#N)cc2)c1 768329890 JXLZRZQAHDSKMU-LAUBAEHRSA-N 320.436 4.623 30 20 DJED CCc1c([C@@H](C)NCc2cc(C#N)ccc2F)oc2ccccc12 776164627 JLGUNEYRJUMJHM-CYBMUJFWSA-N 322.383 4.857 30 20 DJED COc1ccc2nc(/C=C\C(=O)c3ccccc3C)sc2c1 788732639 ONPFCHXYPWAKOX-KTKRTIGZSA-N 309.390 4.509 30 20 DJED COc1cccc(NN=C[C@@H](C)c2ccc(C(F)(F)F)cc2)c1 788980670 LVLGKSRVGXYTRW-GFCCVEGCSA-N 322.330 4.915 30 20 DJED C=CCCCCC[C@H](C)N[C@@H](c1ccccc1)c1nccn1C 793524992 NMITYERAUCEPBX-HKUYNNGSSA-N 311.473 4.624 30 20 DJED Cc1ccc(C)c(NN=Cc2c(F)cccc2Br)c1 794479554 GWNXFWBECRJOHA-UHFFFAOYSA-N 321.193 4.651 30 20 DJED Cc1ccc(C(=O)/C=C/c2cscc2Br)s1 794696166 CLZMQDWNMSTZJS-ONEGZZNKSA-N 313.241 4.777 30 20 DJED Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccccc1C(F)(F)F 798369735 PMNCCCFAFBHMJQ-CMDGGOBGSA-N 322.330 4.687 30 20 DJED Cc1cc(C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)oc1C 799896597 JGNASZNRVWFKAC-ZHACJKMWSA-N 320.392 4.595 30 20 DJED C#Cc1cccc(NC(=S)Nc2cccc(C3CCC3)c2)c1 812258279 ACOCTDHTNPSHLL-UHFFFAOYSA-N 306.434 4.744 30 20 DJED CCc1ccc(C=NOCc2nc(-c3ccccc3)oc2C)cc1 818260932 UAMLBHRTVQRPSD-UHFFFAOYSA-N 320.392 4.763 30 20 DJED C[C@@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1CCC1 837344874 WQBKPOPVQGWVNO-FOIQADDNSA-N 318.420 4.717 30 20 DJED CC1(C)C[C@@H](NN=C2CC[C@H](c3cccc(Cl)c3)C2)CCO1 841634529 RLWBJJMYLLTMRD-YOEHRIQHSA-N 320.864 4.511 30 20 DJED CC(=NNc1ccc(F)c(Cl)c1)c1c(C)nn(C(C)C)c1C 863180538 PPAYDGLSMXCOJY-UHFFFAOYSA-N 322.815 4.709 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc3ccccc3c2)c(F)c1 916142028 YTYAVLBERXDYLZ-XFFZJAGNSA-N 306.336 4.884 30 20 DJED C[C@H](OC(=O)c1cccc(CC#N)c1)c1ccc2ccccc2c1 919311567 BWHVFRMXXIGPER-HNNXBMFYSA-N 315.372 4.824 30 20 DJED C=CCCO[C@@H](C)C(=O)O[C@@H](C)c1ccc(Cl)c(Cl)c1 921218922 MOFFKHGDUOQOTD-QWRGUYRKSA-N 317.212 4.579 30 20 DJED N#CCCCCN[C@H](Cc1ccccc1Cl)c1ccoc1 924943433 UUNCDTLMSKJWON-QGZVFWFLSA-N 302.805 4.500 30 20 DJED N#C[C@H]1CCC[C@H](OC(=O)C2CCC(c3ccccc3)CC2)C1 1129725069 QSLPQTAQTIGGKX-RXQRSOPUSA-N 311.425 4.586 30 20 DJED CC1(C)CN(c2ccc(C#N)c(Br)c2)CC(C)(C)C1 1163000870 OYRRJZCJUXDCKR-UHFFFAOYSA-N 321.262 4.583 30 20 DJED Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2cccc(C#N)c2F)o1 1167517528 QOMKRKDTDFLFIW-GUYCJALGSA-N 312.388 4.572 30 20 DJED Cc1ccc(NC(=O)C2(C#N)CCCCC2)c(Cl)c1Cl 1319556278 LPELESMQOHFIND-UHFFFAOYSA-N 311.212 4.714 30 20 DJED CCCC(CCC)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1348100256 MJGSZBDLXLBSSL-GFCCVEGCSA-N 318.486 4.899 30 20 DJED CC[C@H](C)N(CC)C(=O)Nc1ccccc1S[C@@H](C)CC#N 1354580411 QZZOIPZCAKSKMW-KBPBESRZSA-N 319.474 4.733 30 20 DJED CC(C)(C)OCc1cccc(Nc2ncc(C#N)cc2Cl)c1 1472892455 ZRPPHSJMAHMCPH-UHFFFAOYSA-N 315.804 4.665 30 20 DJED Cc1cc(C)c(C#N)c(N[C@@H](C)c2cc3ccccc3s2)n1 1515151407 UMXHXPBFYFNPPS-ZDUSSCGKSA-N 307.422 4.958 30 20 DJED CCC[C@H](C(=O)O[C@H]1CCC[C@@H](C#N)C1)c1cccc(Cl)c1 1584703729 WZLUHDHAGYWDKH-COXVUDFISA-N 319.832 4.849 30 20 DJED C=C(Cl)Cn1c([C@@H](C)CC)nnc1N(C)C1CCC(C)CC1 1593807884 NUFOVNWSEZGAEZ-OWYJLGKBSA-N 324.900 4.559 30 20 DJED N#Cc1cccnc1NCC1(c2ccc(Cl)cc2)CCCC1 1611857796 IOUJBLLQYCQEAK-UHFFFAOYSA-N 311.816 4.531 30 20 DJED Cc1cc(N(C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)ncc1C#N 1612087473 UVIJRGWWILWKJL-KGLIPLIRSA-N 313.832 4.544 30 20 DJED C[C@H](Nc1ncc(C#N)cc1F)c1cccc(Cl)c1Cl 1650777036 PDFDTUKJICGDHD-QMMMGPOBSA-N 310.159 4.572 30 20 DJED Cc1c(Cl)cnc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1C#N 1651327015 PBSUWONJBOXKKJ-MELADBBJSA-N 303.837 4.686 30 20 DJED Cc1ccc([C@@H]2[C@@H](C)CCCN2Cc2cccc(F)c2C#N)cc1 1658339233 OSDBPNPEHIXKTH-KKSFZXQISA-N 322.427 4.979 30 20 DJED COc1ccc(CN[C@@H]2CCC[C@@H](C(C)(C)C)CC2)cc1C#N 1662235598 QEXPLOWQFBDVBV-QZTJIDSGSA-N 314.473 4.651 30 20 DJED Cc1c(NN=C2CCCC[C@@H]2c2ccccc2)cccc1C(=O)O 1776086319 MOBKCNAQCDOJDO-QGZVFWFLSA-N 322.408 4.819 30 20 DJED C=CCCC1(C(=O)O)CCN([C@H](C)c2ccccc2Cl)CC1 1776167954 JJIHDKGYIOZGNW-CQSZACIVSA-N 321.848 4.534 30 20 DJED CC[C@H](C)c1ccc(C(=O)/C=C\c2ccc(C(=O)O)c(O)c2)cc1 1776697699 NHJCNQWPFPXVJX-PTJCHJMSSA-N 324.376 4.500 30 20 DJED O=C(/C=C\c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1 33619123 GZBYGGXJHNQLBW-BAQGIRSFSA-N 322.147 4.798 30 20 DJED N#CCOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 97101875 FRUSFLOPHATFSA-UHFFFAOYSA-N 305.375 4.856 30 20 DJED Cc1ccccc1NC(=O)[C@@H](C)S[C@@H](C)c1ccc(C#N)cc1 118444952 SHNKMGOADBZWEN-LSDHHAIUSA-N 324.449 4.688 30 20 DJED CC(=O)CCc1ccc(OCc2ccccc2C(C)(C)C#N)cc1 133818262 SINYERSYDMLFLK-UHFFFAOYSA-N 321.420 4.588 30 20 DJED N#CCCCCN[C@@H]1CCCc2c(Cl)sc(Cl)c21 178640820 FIDTVINCXZXZMZ-SNVBAGLBSA-N 303.258 4.716 30 20 DJED CCOc1ccccc1[C@H](CC)N[C@H](C)c1ccc(C#N)cc1 179754427 DYWFQXWLYOBARD-BEFAXECRSA-N 308.425 4.759 30 20 DJED C=CCN(Cc1ccccc1)C(=O)N[C@@H](CCC)c1ccccc1 195618939 PZPMLRNPFUUNCX-FQEVSTJZSA-N 322.452 4.926 30 20 DJED O=C(/C=C/c1ccccc1OCc1ccccc1)c1ccncc1 216149726 FAGSRVOUGMCPSM-ZHACJKMWSA-N 315.372 4.557 30 20 DJED N#Cc1cccc(C#N)c1N[C@@H](c1ccc(Cl)cc1)C1CC1 302827523 HYQWIPCTYXUGJZ-QGZVFWFLSA-N 307.784 4.647 30 20 DJED CC(=C/c1ccccc1)/C=C/C(=O)c1c(Cl)nc2ccccn12 303845594 MQYOHLOZDGKKGE-SVEAWWMOSA-N 322.795 4.830 30 20 DJED C[C@H](Nc1ccccc1OC(F)(F)F)c1cccc(C#N)c1 315042285 BEHIXSNRBMENJO-NSHDSACASA-N 306.287 4.630 30 20 DJED Cc1ncc(N=C(O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c(C2CC2)n1 328753822 DLYJCBWGXJAPII-NUEKZKHPSA-N 313.445 4.857 30 20 DJED N#Cc1ccc(NC(=O)Cc2ccc3ccccc3c2)c(Cl)c1 391628917 INIJDEGICVVJCC-UHFFFAOYSA-N 320.779 4.546 30 20 DJED Cc1ccc(NCc2ccc(CC#N)cc2)cc1C(F)(F)F 398945794 AUILEVYYQZHVDK-UHFFFAOYSA-N 304.315 4.692 30 20 DJED CC1(C)CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1CC#N 410961477 ADBMAXUYQJMSSU-CQSZACIVSA-N 304.821 4.561 30 20 DJED N#CC1(CCN2CCC[C@@H](CC(F)(F)F)C2)CCCCC1 420950770 QELQUGDHHVNNJX-AWEZNQCLSA-N 302.384 4.515 30 20 DJED N#CCC1(CNCc2ccc(-c3ccc(Cl)cc3)s2)CC1 430040862 SHMKXLVJVQFCOP-UHFFFAOYSA-N 316.857 4.852 30 20 DJED Cc1nc(S[C@@H]2CC[C@@H](C#N)C2)n(C2CCCCC2)c1C 430093039 DRTPFIXDOWYOIB-GDBMZVCRSA-N 303.475 4.790 30 20 DJED N#C[C@H]1CC[C@@H](NCC2(c3ccc(Cl)cc3Cl)CCC2)C1 442846147 OATASHQDORMYJN-GXTWGEPZSA-N 323.267 4.697 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@@H]1c1ccc(F)cc1C 456852792 QICFYSWHYYIFLV-GOSISDBHSA-N 301.405 4.566 30 20 DJED C=CCCOCCCCC(=O)N1CC2(CCCCC2)[C@@H]1C(C)C 458199416 UXNPSWNHFUQDCT-IBGZPJMESA-N 321.505 4.567 30 20 DJED CCC[C@@H](CC)S[C@@H](C)C(=O)N(CCC#N)c1ccccc1 477074413 RZZHUDDOBRALRH-DOTOQJQBSA-N 318.486 4.634 30 20 DJED C=C[C@H](CC(=O)N1CCc2c(C)cc(C)cc2C1)c1ccccc1 485585391 ZUBYLKOGVLAKIP-GOSISDBHSA-N 319.448 4.548 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 487654392 RECYPIKZUATHKH-MRXNPFEDSA-N 310.784 4.510 30 20 DJED COc1cc(C#N)ccc1CSCCCCC(F)(F)F 500842402 RQEOKSNJTYSUAM-UHFFFAOYSA-N 303.349 4.533 30 20 DJED CCC(CC)[C@H](NC(=O)c1cccc(C#N)c1)c1cccs1 515742521 DPSWSCQBRCFREF-KRWDZBQOSA-N 312.438 4.527 30 20 DJED C=CCN(C(=O)c1cccc(OC2CCCC2)c1)c1ccccc1 517488217 KVNRBCVKNIVUNR-UHFFFAOYSA-N 321.420 4.841 30 20 DJED C=C[C@H](CC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C)c1ccccc1 533942908 BUDKHWFBVBHXDS-UEXGIBASSA-N 319.448 4.751 30 20 DJED Cc1ccc([C@@H]2CCCN2c2nccc(C#N)c2Cl)cc1C 573587185 HIYJPUVFNAJIDN-INIZCTEOSA-N 311.816 4.565 30 20 DJED C[C@H](c1ccccc1Br)N1CCC(CCC#N)CC1 575284328 MTCZHUNTBUKULO-CYBMUJFWSA-N 321.262 4.526 30 20 DJED C=CCC(F)(F)c1nc(-c2ccc(C(C)(F)F)cc2)no1 582351318 ZPBCPOOMMBWRBH-UHFFFAOYSA-N 300.255 4.516 30 20 DJED CC(C)(C)CN(Cc1ccccc1)C(=O)CCCCCC#N 588347806 AFGAUSUQQGFPGA-UHFFFAOYSA-N 300.446 4.535 30 20 DJED N#CC[C@H]1CCCN(C(=O)CC2CCC(c3ccccc3)CC2)C1 597913386 OCHFLEUJOMIKEB-QPIRBTGLSA-N 324.468 4.503 30 20 DJED C=CCCOCC(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1 607518523 QREYJPKEAZRRDL-MRXNPFEDSA-N 323.864 4.526 30 20 DJED CC(C)[C@H](Sc1ccc(C#N)cc1F)C(=O)c1ccccc1 607760968 QCDOKVCYSPVWFH-SFHVURJKSA-N 313.397 4.697 30 20 DJED O=C1/C(=C/c2nc(-c3ccccc3)cs2)Cc2c(F)cccc21 727975305 RVXKJZALRIHINM-JLHYYAGUSA-N 321.376 4.772 30 20 DJED FC(F)(F)c1ccc(NN=C(Cc2ccccc2)C2CC2)nc1 729141147 WMIXSNCWORYYPJ-UHFFFAOYSA-N 319.330 4.521 30 20 DJED N#C[C@H](NC(=O)C=C1CCCCC1)c1cccc(Cl)c1Cl 731196381 YVTBJAIJSFCJGW-AWEZNQCLSA-N 323.223 4.565 30 20 DJED CC(=NNc1ccc(Cl)cc1)c1cnc2ccsc2c1 739401158 IYQIGQPLNZOXHO-UHFFFAOYSA-N 301.802 4.786 30 20 DJED CC(C)CC(=NNc1ccc(Cl)nn1)c1ccc(Cl)cc1 740760543 WYGZDVBAYGTKGY-UHFFFAOYSA-N 323.227 4.646 30 20 DJED CSc1ccc(C(=O)/C=C\c2cc(C)c(O)c(C)c2)cc1F 741847597 QREAPYJZGWBHKB-XQRVVYSFSA-N 316.397 4.766 30 20 DJED Cc1ccc(N(CCCSCC#N)Cc2cccs2)cc1 745983596 AZZDWHFOGFTFNW-UHFFFAOYSA-N 316.495 4.710 30 20 DJED Cc1c([C@@H](C)OC(=O)c2ccc(C#N)s2)oc2ccccc12 750695566 WKLZUVNICWANBE-LLVKDONJSA-N 311.362 4.592 30 20 DJED O=C(/C=C/c1nc(Cl)cs1)c1ccc2c(c1)CCCC2 759075206 JXIJIGZISFBVDL-BQYQJAHWSA-N 303.814 4.571 30 20 DJED CCCCCOc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1 765011471 CDMUTDCCTSZMLF-KRWDZBQOSA-N 322.452 4.978 30 20 DJED C#CCCCN(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1 766903669 UTWPCRIQNAYCFV-KRWDZBQOSA-N 307.437 4.768 30 20 DJED CC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1cc(Cl)ccc1O 775511111 BOWCTPFVSOKWQO-SJCJKPOMSA-N 314.816 4.719 30 20 DJED CCOc1ccc(N[C@H](C)c2ccc(C#N)c(F)c2)cc1Cl 776824577 OPMRFVXRHQTVBZ-LLVKDONJSA-N 318.779 4.923 30 20 DJED CC(C)(C)c1cnc(/C=C/C(=O)c2cc(F)ccc2F)s1 790602792 HDPRKYPIGIGVEX-VOTSOKGWSA-N 307.365 4.615 30 20 DJED Cc1nn(C)c2sc(C(=O)/C=C/c3ccsc3Cl)cc12 806577276 SKTMZJLLLVZDPR-ONEGZZNKSA-N 322.842 4.554 30 20 DJED C=CC[C@H](N[C@@H](C)c1cc(Cl)cc(C)c1O)c1ccncc1 808695795 KIIOYAVWLXEWOC-GUYCJALGSA-N 316.832 4.717 30 20 DJED Fc1ccc(C2CC(=NNc3ccc(F)c(F)c3F)C2)cc1 814945664 KJMDRODSTCAEGE-UHFFFAOYSA-N 308.278 4.589 30 20 DJED CC(C)N(Cc1ccc(OCC#N)cc1)[C@H](C)c1ccsc1 817288006 SARJFHNIFFNNTM-OAHLLOKOSA-N 314.454 4.622 30 20 DJED Cc1nc([C@H](C)ON=CC2CC2)oc1-c1ccc(Cl)cc1 853735467 VFDCFEIBGCMICU-NSHDSACASA-N 304.777 4.777 30 20 DJED Cc1cc(NC[C@@H](C)CCC#N)ccc1NC(=O)OC(C)(C)C 877641115 MHDCFOLSCCYDOG-ZDUSSCGKSA-N 317.433 4.694 30 20 DJED CCCOc1ccc(C(=O)/C=C\c2ccc3ncccc3c2)cc1 916128692 WPYFOHPZSLTCCC-SDQBBNPISA-N 317.388 4.920 30 20 DJED COc1cc(/C=C\C(=O)c2cccc(C)c2)cc(Cl)c1OC 916153214 GFMLIAKQKJCJTC-FPLPWBNLSA-N 316.784 4.562 30 20 DJED CC(=NNc1ccc(F)cc1F)c1ccc(OC(C)C)cc1 916248184 QQYRAPPLLVYRNN-UHFFFAOYSA-N 304.340 4.588 30 20 DJED COc1cccc(C=NN(c2ccccc2)c2ccccc2)c1O 916249679 FVKCYWYQFCSMOE-UHFFFAOYSA-N 318.376 4.573 30 20 DJED C=C(C)COC(=O)c1sc(-c2ccc(Cl)s2)nc1C 921103492 NKRCTAGSCNXHPU-UHFFFAOYSA-N 313.831 4.566 30 20 DJED Cc1ccc2c(c1)C/C(=C/c1cc(Br)cs1)C2=O 921263488 FCJOJDGNECYGET-WDZFZDKYSA-N 319.223 4.641 30 20 DJED C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)c(F)c1 1117671320 FUTABADGFSFMTR-ZMZPIMSZSA-N 314.791 4.689 30 20 DJED CC[C@@H](C)c1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)cc1 1124579654 HWKXBCTUESIGAB-GFCCVEGCSA-N 312.800 4.977 30 20 DJED O=C(/C=C\c1ccc(N2CCCC2)cc1)c1coc2ccccc12 1253411944 RLTFNDZELHQMPY-XFXZXTDPSA-N 317.388 4.929 30 20 DJED Cc1ccc2sc(N(C)[C@@H](C)c3cccc(C#N)c3)nc2c1C 1307146517 IYRGXSOTRTVUHE-AWEZNQCLSA-N 321.449 4.982 30 20 DJED N#CC1(CN[C@H]2CC=C(c3ccc(Cl)cc3)CC2)CCC1 1308826719 XGDDYAVYNDVRGG-KRWDZBQOSA-N 300.833 4.559 30 20 DJED CC[C@@](C)(C#N)C(=O)Nc1ccc(SC(C)(C)C)c(F)c1 1324997210 ULMURYDONVFCOF-INIZCTEOSA-N 308.422 4.595 30 20 DJED CCC(CC)CN(CCC#N)C(=O)C[C@@H](C)C1CCCCC1 1464929879 VNJKYBIWYFBXSN-MRXNPFEDSA-N 306.494 4.771 30 20 DJED CCCC[C@H](CC)CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 1534761479 FNLPZSRLZSOLOT-INIZCTEOSA-N 312.457 4.656 30 20 DJED CC[C@H](C)c1ccc(C(=O)OCc2ccc(CC#N)cc2)cc1 1535001942 UPQRCXGBOHPNBH-HNNXBMFYSA-N 307.393 4.623 30 20 DJED N#Cc1ccc(OCC2CCC(C(F)(F)F)CC2)cc1Cl 1559400611 KUKNFTHMDVIQEJ-UHFFFAOYSA-N 317.738 4.959 30 20 DJED CCCN(CC/C=C\c1ccccc1)Cc1ccc(C#N)cc1 1644334417 UGPALXFWMQCLIH-POHAHGRESA-N 304.437 4.874 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)Cc1sccc1Cl 1644446207 XWIVRLCMCJXAHJ-UHFFFAOYSA-N 318.873 4.931 30 20 DJED CN(CC1(C#N)CC1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 1654318373 RXUHGOSQIOHXCT-QGZVFWFLSA-N 302.849 4.807 30 20 DJED CC1(C)CCC[C@@H](C=NNc2ccc(Cl)c(C(=O)O)c2)C1 1776033707 VFMMTSRDSFKHMN-LLVKDONJSA-N 308.809 4.652 30 20 DJED CC(C)[C@H]1/C(=C/c2cccc(C(=O)O)c2F)C(=O)c2ccccc21 1776308764 MQCQNLORWNTWBH-LPPOOGIUSA-N 324.351 4.543 30 20 DJED Cc1ccc(C)c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 66801810 SUILBPWYNQQHHR-HNNXBMFYSA-N 324.449 4.950 30 20 DJED N#Cc1nnc2ccccc2c1Oc1cc(Cl)ccc1Cl 77165252 VDPWLWQKNDWJQR-UHFFFAOYSA-N 316.147 4.601 30 20 DJED CCn1c([C@@H]2CCCN2CCCC(C)(C)C#N)nc2ccccc21 84131391 INXPTEWURGWANC-SFHVURJKSA-N 324.472 4.523 30 20 DJED N#CCCCOc1cccc(NCc2cc(Cl)cs2)c1 93094718 WGQBBIKHPVSTOO-UHFFFAOYSA-N 306.818 4.696 30 20 DJED Cc1ccc(Cl)cc1NCc1ccc(O[C@@H](C)C#N)cc1 155350423 DERKVFDOMWDLIP-ZDUSSCGKSA-N 300.789 4.551 30 20 DJED COc1cc(CSc2cccc(C#N)c2)ccc1SC 158736364 XLXQTYPIPQNVBD-UHFFFAOYSA-N 301.436 4.581 30 20 DJED C=C(C)CN(C)[C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 181254226 VZABEHDSKARJCV-ZDUSSCGKSA-N 304.821 4.872 30 20 DJED N#Cc1ccc(OCc2ncc(-c3cccs3)o2)cc1Cl 190260462 RUILWMSTUPWVND-UHFFFAOYSA-N 316.769 4.507 30 20 DJED CC(C)(C#N)CCSCc1coc(-c2c(F)cccc2F)n1 276593266 ISMWTEZEDFTUKQ-UHFFFAOYSA-N 322.380 4.793 30 20 DJED CC(C)(C)c1cnc(SCCCC2(C#N)CCOCC2)s1 280974155 LDOSDJVCABBOQT-UHFFFAOYSA-N 324.515 4.633 30 20 DJED COc1ccccc1-c1ccc([C@@H](C)N[C@@H](C)CCC#N)cc1 298856380 IUHGHAJBGXQZKB-JKSUJKDBSA-N 308.425 4.705 30 20 DJED C[C@H](COc1cc(Br)ccc1C#N)C1CCCCC1 308141901 HWODABGTVHCANS-GFCCVEGCSA-N 322.246 4.916 30 20 DJED CC1(C)C(O)=Nc2cc(/C(O)=N/[C@H]3CCCCC3(C)C)ccc21 328922088 UHQVABUOVXWEIZ-HNNXBMFYSA-N 314.429 4.839 30 20 DJED CC(C)(C)[C@@H]1N=C(O)CC[C@H]1/N=C(/O)CC1CCCCCC1 329225348 CZXWVLBYELIQBB-RHSMWYFYSA-N 308.466 4.837 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1csc2cc(C)ccc12 361877705 RQSQHQMMJWUDKH-UHFFFAOYSA-N 314.454 4.754 30 20 DJED N#CCC1(CN[C@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 430737600 JDHTVOOQXGMMRY-HNNXBMFYSA-N 309.240 4.728 30 20 DJED CC[C@H](C)Oc1cccc(NC(=O)Nc2cc(C#N)ccc2C)c1 432761709 BDTPDDWRMXDODR-AWEZNQCLSA-N 323.396 4.688 30 20 DJED C[C@@H](SCc1nccn1-c1ccccc1)c1ccc(C#N)cc1 434630400 LDYFDABGOHNZCA-OAHLLOKOSA-N 319.433 4.738 30 20 DJED CC[C@@H](NCc1cc(F)ccc1SC)c1ccc(C#N)cc1 447528870 KLSZENXMKHTFCR-QGZVFWFLSA-N 314.429 4.660 30 20 DJED CC[C@H](NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(C#N)cc1 447586048 LCLJMEYLBWSETC-XIRDDKMYSA-N 324.390 4.968 30 20 DJED C[C@H](NCc1ccc(-c2ccco2)cc1F)c1ccc(C#N)cc1 447796683 XNBQDMKXUGTABP-AWEZNQCLSA-N 320.367 4.808 30 20 DJED CC(C)Sc1ccc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)cc1 463304698 SDAJSZPSTHCRBU-UXLLHSPISA-N 302.487 4.920 30 20 DJED C[C@@H](C(=O)N(CC(C)(C)C)CC(C)(C)C)c1cccc(C#N)c1 464287136 SWRWPEZYSBLDPE-OAHLLOKOSA-N 314.473 4.583 30 20 DJED C[C@H](N[C@H](C)c1cc2cccc(F)c2o1)c1cccc(C#N)c1 474107982 SQFXREIWHDIRGV-QWHCGFSZSA-N 308.356 4.855 30 20 DJED N#Cc1ccc(F)c(CNc2cccc(OC3CCCC3)c2)c1 486531451 NOPBJDSFRCFUEP-UHFFFAOYSA-N 310.372 4.631 30 20 DJED CC(C)(C#N)c1ccccc1CN[C@H](Cc1ccccc1)C1CC1 495461620 WPFLTQPZTTUULA-OAQYLSRUSA-N 318.464 4.599 30 20 DJED CC(C)(CCC#N)CN(CCc1ccccc1F)C1CCCC1 508727663 UBFGYHFSZFJMMG-UHFFFAOYSA-N 316.464 4.943 30 20 DJED C=CCCC(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 522484643 ZMDAKFKQKOIPPI-FQEVSTJZSA-N 305.377 4.605 30 20 DJED CCCCN(C(=O)Nc1ccc(C#N)cc1)[C@H](C)c1ccccc1 523389071 CIDATWXGKBVDRR-MRXNPFEDSA-N 321.424 4.953 30 20 DJED C[C@@H]1CCC[C@H](CC(=O)Nc2ccccc2SCCC#N)C1 524674510 MJBPLIXIOKJIKQ-CABCVRRESA-N 316.470 4.847 30 20 DJED Cc1cc(F)ccc1N(CCCCC#N)Cc1cccc(C#N)c1 533063421 DRUMDRFJSLUXJB-UHFFFAOYSA-N 321.399 4.706 30 20 DJED Cc1ccsc1[C@@H](C)NCCSCc1ccccc1C#N 537972057 TVNZMBTYKDXXBD-CQSZACIVSA-N 316.495 4.512 30 20 DJED C[C@@H]1c2ccccc2CN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 541202429 JKUCGVXFIFOMKD-CQSZACIVSA-N 319.408 4.596 30 20 DJED Cc1ccnc(Oc2ccc(Cl)c(C(F)(F)F)c2)c1C#N 543137542 ULEVXBGGIVJVAT-UHFFFAOYSA-N 312.678 4.726 30 20 DJED CC(C)(C)Oc1cc(F)ccc1NCc1cccc(C#N)c1F 544084330 BCPQDIFJXWBWON-UHFFFAOYSA-N 316.351 4.626 30 20 DJED CC(C)c1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)s1 546183291 YJXZUDDZQZHINC-CYBMUJFWSA-N 318.829 4.520 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](CC)CCCC 553451189 ZNNXLXVFPDIWRK-GOSISDBHSA-N 319.493 4.585 30 20 DJED C=CCOCCCOc1c(Cl)cc(Cl)c2cccnc12 573765787 OINATROQCKBOJO-UHFFFAOYSA-N 312.196 4.513 30 20 DJED C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCC[C@@H]1CCCC 590175410 VSMFCCHRYJAYIE-DOTOQJQBSA-N 320.502 4.805 30 20 DJED C=CCCCCCN(C)C(=O)N[C@@H]1CCc2c(Cl)cccc21 606920181 KHITZCQABAVWIA-QGZVFWFLSA-N 320.864 4.715 30 20 DJED C=C(C)[C@@H](N[C@H](C)c1nc(C)cs1)c1ccc(F)c(F)c1 623963754 OGYJJMXMMBMLOU-IAQYHMDHSA-N 308.397 4.698 30 20 DJED CC(=NNc1ccc(Cl)nc1)C12CC3CC(CC(C3)C1)C2 743449743 ANUXNFBPZVPKQP-UHFFFAOYSA-N 303.837 4.739 30 20 DJED CSc1ccc(C(=O)/C=C/c2ccccc2C#N)c(Cl)c1 765614364 UGINYLQOZMMBSW-RMKNXTFCSA-N 313.809 4.830 30 20 DJED C[C@@H](CC(=O)OCCCCC(C)(C)C#N)c1ccc(F)cc1 768692141 DKJOJISVEKLTBB-AWEZNQCLSA-N 305.393 4.583 30 20 DJED COc1ccsc1C(=O)/C=C/c1ccc(C(F)(F)F)cc1 769745203 ZPYPNGFEVYIPPH-QPJJXVBHSA-N 312.312 4.672 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N[C@@H]1CCN2CCC[C@@H]2C1 775143519 RLKQMWYCNPRSFC-IPMKNSEASA-N 322.537 4.506 30 20 DJED C#CCCCCCC(=O)Nc1ccc(COC(C)(C)C)cc1 779929025 GJHVKAXOISMMNH-UHFFFAOYSA-N 301.430 4.524 30 20 DJED C=CC[C@H](C(=O)Nc1ccc(Cl)c(Cl)n1)c1ccccc1 782849665 WCZTYDOSQWXLFH-LBPRGKRZSA-N 321.207 4.687 30 20 DJED C=CCC(F)(F)C(=O)N(C1CC1)[C@H](C)c1ccccc1Cl 815085211 OJWNLGKVDWCBEL-LLVKDONJSA-N 313.775 4.603 30 20 DJED CCCCCCCCCN(C)C(=O)Nc1cc(N)ccc1C 841320224 WAQMKVTXKOZZGU-UHFFFAOYSA-N 305.466 4.792 30 20 DJED FC(F)(F)C1CCC(C=NNc2ccnc(Cl)c2)CC1 853394869 BJYYWPRNTGIVLG-UHFFFAOYSA-N 305.731 4.501 30 20 DJED CC(C)=CCC[C@H](C)CC=NNc1ncnc2sccc12 916368755 ZKICRRDOXLOTGD-ZDUSSCGKSA-N 302.447 4.862 30 20 DJED C=CCN(Cc1ccccc1F)C(=S)Nc1ccc(C)cc1 918164727 ZGTRPUQRNXKAOV-UHFFFAOYSA-N 314.429 4.519 30 20 DJED C[C@@H](CC(C)(C)C#N)NCC(C)(C)c1cccc(Cl)c1F 1205477690 GOCQIRITPKEJEL-LBPRGKRZSA-N 310.844 4.675 30 20 DJED O=C(/C=C/c1ccc(N2CCCC2)cc1)c1coc2ccccc12 1253411943 RLTFNDZELHQMPY-FMIVXFBMSA-N 317.388 4.929 30 20 DJED Cc1ccc(C)c(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 1307487941 UQWZBWGTEKTDAE-SFTDATJTSA-N 304.437 4.575 30 20 DJED C[C@@H]1C[C@H](NCc2cc(C#N)cs2)C[C@H](c2ccccc2)C1 1308438564 SCFCTKDECVIZQM-QGTPRVQTSA-N 310.466 4.682 30 20 DJED Cc1c(C#N)cccc1C(=O)N[C@H](CC(C)(C)C)c1ccccc1 1350408554 CQPCPDNQQVMKOG-LJQANCHMSA-N 320.436 4.774 30 20 DJED N#Cc1cnc(Oc2ccc(OC3CCCCC3)cc2)c(F)c1 1472687597 JBTHHTRWXVMMQB-UHFFFAOYSA-N 312.344 4.596 30 20 DJED Cc1sccc1C(=O)Nc1sc(-c2ccccc2)cc1C#N 1516661437 AKKGCFGINJSVLZ-UHFFFAOYSA-N 324.430 4.909 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2ccc(C3CCCCC3)cc2)n1 1523624995 NSWSUPMPJVKHMJ-UHFFFAOYSA-N 319.408 4.562 30 20 DJED CC[C@H](CC1CCCC1)C(=O)Nc1ccc(C#N)cc1Cl 1544256094 RHVJSIKKNQYNPQ-CQSZACIVSA-N 304.821 4.757 30 20 DJED CCCC[C@@H](CC)CCCN(C)C(=O)C1(C#N)CCCCC1 1586674024 YCBPYAZRNKINDM-QGZVFWFLSA-N 306.494 4.915 30 20 DJED CC(C)(C)c1ccc([C@@H]2CCCN2c2cccc(C#N)n2)cc1 1611820857 DEIXQTLMVXWDLR-SFHVURJKSA-N 305.425 4.592 30 20 DJED N#Cc1ccc(Sc2cc(-c3cccc(Cl)c3)ncn2)cc1 1611842769 SZXAHTCLUMJWQM-UHFFFAOYSA-N 323.808 4.820 30 20 DJED C[C@H]1CC(C)(C)C[C@@H]1Nc1ccc(Oc2ccnc(C#N)c2)cc1 1620956164 JTUMOZAIENNTTQ-LIRRHRJNSA-N 321.424 4.982 30 20 DJED COc1cc(C#N)ccc1CN(C(C)C)[C@H](C)c1ccsc1 1643471760 PSJVYBGVGCYWQZ-CQSZACIVSA-N 314.454 4.600 30 20 DJED CCC(CC)CN(CCC#N)[C@@H](C)c1nccc2ccccc12 1651830908 IVAXUKZFBOFYHI-INIZCTEOSA-N 309.457 4.948 30 20 DJED Cc1ccccc1[C@H](NC(=O)Nc1cccc(C#N)c1C)C(C)C 1669298102 ZOUKLTBPUCTCJD-LJQANCHMSA-N 321.424 4.694 30 20 DJED C=C(CNC(=O)N(C)[C@@H](C)c1ccc(C)cc1C)c1ccccc1 1683122381 YQQOADCMCDYUGD-SFHVURJKSA-N 322.452 4.719 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1Cl 37284484 RUGOCIOZICDYIH-NEPJUHHUSA-N 302.780 4.763 30 20 DJED C=CCN(Cc1ccccc1)C(=O)N[C@H](c1ccccc1)C1CC1 45347200 DCTQCZWNKMXRMA-HXUWFJFHSA-N 320.436 4.536 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C)ccc1F 53005268 REODEHJFLQTLOB-UHFFFAOYSA-N 323.820 4.677 30 20 DJED CC(C)Oc1ccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)cc1 60132671 SNIUCZZPRSQTBY-YCRREMRBSA-N 316.784 4.729 30 20 DJED CC[C@@H](c1ccccc1)c1nnc(SCCC(C)(C)C#N)o1 78970852 HVWNFMVLCAFLNP-AWEZNQCLSA-N 315.442 4.643 30 20 DJED CC[C@@H](C)Sc1ccc(NC(=O)N(CC)CCC#N)c(C)c1 80185876 NEEUBWZACSYHAA-CQSZACIVSA-N 319.474 4.653 30 20 DJED N#CCCCOc1cccc(NCCCCC(F)(F)F)c1 151755341 ATKGXPJQTQZYTC-UHFFFAOYSA-N 300.324 4.514 30 20 DJED N#CCCCCSCCOc1ccccc1C(F)(F)F 161678567 JAVUIGIVVPXZBW-UHFFFAOYSA-N 303.349 4.511 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1cc(Cl)cc(Cl)c1 187519146 UICSVQASFBVWMC-UHFFFAOYSA-N 313.228 4.538 30 20 DJED Cc1c(C(=O)N(CC#N)c2ccccc2)sc2cccc(F)c12 194664522 FIOKIIYNLYLWGO-UHFFFAOYSA-N 324.380 4.519 30 20 DJED N#CCOc1ccc(C(=O)/C=C\c2cc3ccccc3s2)cc1 254986095 ILDWCMNYSIHECP-KTKRTIGZSA-N 319.385 4.700 30 20 DJED N#CCCCCNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 255374490 VZWDXNDTTFSMED-UHFFFAOYSA-N 321.384 4.917 30 20 DJED C=C(C)[C@@H](N[C@@H](C)c1csc(C)n1)c1ccc(F)c(F)c1 274739111 DYPPBHOMWYTYGO-MGPLVRAMSA-N 308.397 4.698 30 20 DJED CC[C@H](N[C@H](C)c1cc(F)ccc1OC)c1ccc(C#N)cc1 278271303 PCEJSJHXYMYRNV-ACJLOTCBSA-N 312.388 4.508 30 20 DJED N#Cc1ccc(NC[C@@H](O)c2ccc3ccccc3c2)cc1Cl 301113807 UYEHKRMFJJSEOI-LJQANCHMSA-N 322.795 4.510 30 20 DJED COc1ccc(/C=C/c2ccc3cc(C)ccc3n2)cc1C#N 303855740 FORSOLHHTJKYJI-QPJJXVBHSA-N 300.361 4.594 30 20 DJED CC[C@@H](C)n1ncc(N=C(O)N2[C@H]3CC[C@H]2c2ccccc23)c1C 330097268 AOYQNOFRHIBZGK-UUWFMWQGSA-N 324.428 4.600 30 20 DJED CCC(CC)n1ccc(CSCc2ccc(C#N)cc2F)n1 433666421 ZCXXDDVZKFZBAC-UHFFFAOYSA-N 317.433 4.688 30 20 DJED COc1ccc(C[C@H](C)CN(C)CCCCC(C)(C)C#N)cc1 444677198 OZJZDYDPBGAWHP-KRWDZBQOSA-N 316.489 4.526 30 20 DJED CCCCc1nc(CNc2ccc(CC#N)cc2Cl)cs1 453119492 BYUDCFAUBIXKJO-UHFFFAOYSA-N 319.861 4.817 30 20 DJED CC(C)CCCCC(=O)Nc1ccccc1SCCC#N 457548969 KDNYPGBTEBEVNA-UHFFFAOYSA-N 304.459 4.847 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@H](Cc2ccccc2)c2ccccc2)C1 463295948 QOUDDLUGVCGKIY-HLAWJBBLSA-N 304.437 4.642 30 20 DJED C=C[C@@H](C)NC(=O)Nc1ccccc1O[C@H](C)c1ccccc1 465263037 JMZYDKOFDPQGKW-HUUCEWRRSA-N 310.397 4.523 30 20 DJED C=CCCN(C)C(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 466385229 BULVPDVDXIDQII-UHFFFAOYSA-N 310.397 4.827 30 20 DJED C=CCCCCNC(=O)NC(c1cccs1)c1cccs1 472799932 QPESIWGLZRJLTM-UHFFFAOYSA-N 320.483 4.555 30 20 DJED CCC[C@H](C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1)C(C)C 487954639 VCWKDTVOWKSQFF-QAPCUYQASA-N 300.446 4.540 30 20 DJED C=CCCCCCN1CCC(C(F)(F)F)(C(F)(F)F)C1 488463652 SKTNYSWWYVXJDX-UHFFFAOYSA-N 303.290 4.550 30 20 DJED C=C(C)CN(CC)C(=O)N[C@@H](CC(C)C)c1ccccc1C 491110882 LVNMGNCIERIEDO-SFHVURJKSA-N 302.462 4.690 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C[C@H]1CCC[C@@H](C)C1 523364068 POWPQWOKZHRWDX-APWZRJJASA-N 312.457 4.512 30 20 DJED CC(C)[C@H](CC1CCCC1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 523816865 HCCJVBCMMTXCMO-KXBFYZLASA-N 312.457 4.588 30 20 DJED N#C[C@H](Sc1n[nH]c(/C=C\c2ccccc2)n1)C1CCCCC1 524535948 CEVYMMRHDCJVRB-JNSOCZORSA-N 324.453 4.540 30 20 DJED C=C(CC)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 539113406 XAYMICOAHJZKAG-UHFFFAOYSA-N 324.453 4.820 30 20 DJED C[C@@H]1C[C@@H]1[C@@H](NCCCC(C)(C)C#N)c1ccc(Cl)cc1 540522209 XWGHTSUXMNTFII-COXVUDFISA-N 304.865 4.957 30 20 DJED C=CCCC[C@@H](C)N[C@H](C)c1ccc(OC(F)F)c(OC)c1 540608020 WKWOXWPTYQINAF-CHWSQXEVSA-N 313.388 4.692 30 20 DJED N#Cc1ccc(Cl)c(C(=O)N(CC2CCC2)c2ccccc2)c1 556924853 NWVGNKXITBVYHQ-UHFFFAOYSA-N 324.811 4.659 30 20 DJED CC(C)Sc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 558741024 HHZYLAVHTCGWIU-HNNXBMFYSA-N 310.466 4.910 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1cc(Cl)ccc1OC(C)C 563305275 AEFYUFIKFMQDAQ-CQSZACIVSA-N 322.836 4.700 30 20 DJED C=CCC(C)(C)c1noc([C@@H](C)Oc2ccc(SC)cc2)n1 569267379 HMMGUASAJOWCBY-GFCCVEGCSA-N 318.442 4.785 30 20 DJED N#CCC1(CSCc2cc(-c3ccccc3Cl)on2)CC1 596373996 SAWACYBJEGLPIC-UHFFFAOYSA-N 318.829 4.922 30 20 DJED C[C@H](CC(=O)N(c1ccc(C#N)cc1)C1CCC1)c1ccccc1 598887291 WIBUQBFWZIDMDS-MRXNPFEDSA-N 318.420 4.638 30 20 DJED CC(C)Cc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 618741045 BXLJEKPOSCSIKO-NRFANRHFSA-N 304.437 4.534 30 20 DJED CCCCCC[C@@H](CC)C(=O)N(C)Cc1cccc(C#N)c1 734999960 YASDJCUADRSYIR-GOSISDBHSA-N 300.446 4.513 30 20 DJED O=C(/C=C\c1ccc(F)cc1F)c1cccc(-c2ccncc2)c1 741474284 WVWMIYZSWNVYGO-ALCCZGGFSA-N 321.326 4.923 30 20 DJED CCCCCCCNCc1cc2cnn(C(C)C)c2nc1Cl 742673698 JMACHWPMQSVUMY-UHFFFAOYSA-N 322.884 4.726 30 20 DJED CCCCCCCC(=O)N1CC[C@@H](CSc2ccccc2)C1 742850088 OUKOEBNTBHNNFA-QGZVFWFLSA-N 319.514 4.988 30 20 DJED C#CCN(CC)C(=O)Nc1ccc(Sc2ccccc2)cc1C 749228709 RGXVAFOPMUAQNE-UHFFFAOYSA-N 324.449 4.633 30 20 DJED COc1cc(C)ccc1C(=O)/C=C\c1coc(-c2ccccc2)n1 749892041 QYDPLXXHIURKKX-LUAWRHEFSA-N 319.360 4.555 30 20 DJED CC(C)Oc1c(F)cc(N[C@@H](C)c2ccc(C#N)cc2)cc1F 753737332 JBIQRHKUEBTAFW-LBPRGKRZSA-N 316.351 4.797 30 20 DJED O=C(/C=C\c1ccc(O)c(F)c1)c1cc(Cl)sc1Cl 755582226 UHAJIVYRWKQVAU-IWQZZHSRSA-N 317.168 4.796 30 20 DJED CC(C)(C#N)CCCCOC(=O)C(C)(C)c1cccc(Cl)c1 768716275 QFLHWRKOMWSOSG-UHFFFAOYSA-N 321.848 4.881 30 20 DJED C=CCCCCC[C@H](C)N[C@H](CC)c1nnc2n1CCCCC2 793529928 YQFGNXZFMUXWPL-DLBZAZTESA-N 318.509 4.570 30 20 DJED CC(C)c1nc(C(=O)/C=C\c2ccc3cnccc3c2)cs1 812243274 ICVPCVYJASBCTL-XQRVVYSFSA-N 308.406 4.711 30 20 DJED N#CCSc1ccccc1C(=O)Nc1cccc(C2CCC2)c1 813250196 DKOMKEXQZMPPQB-UHFFFAOYSA-N 322.433 4.822 30 20 DJED CC(=NNc1cc(C(F)(F)F)ccc1F)c1ccccc1C#N 814885655 GQGMVJVIQWIGCG-UHFFFAOYSA-N 321.277 4.552 30 20 DJED CC(C)c1nc(C#N)c(NN=C2CCCC23CCCCC3)o1 834950548 UAFFBAHWATWXTA-UHFFFAOYSA-N 300.406 4.572 30 20 DJED Cc1ccccc1-c1ccccc1C=NN[C@@H]1CCOC(C)(C)C1 834972877 QWXOVBWGBYBNLA-GOSISDBHSA-N 322.452 4.543 30 20 DJED CC1(C)CCC(CC(=O)[C@H](C#N)c2nc(C3CC3)cs2)CC1 842941883 UEMPSCDHYSYSGG-AWEZNQCLSA-N 316.470 4.803 30 20 DJED N#Cc1ccnc(CSCC2CCC(C(F)(F)F)CC2)c1 901783331 UQHJNVFZWSFGIT-UHFFFAOYSA-N 314.376 4.555 30 20 DJED C=CCN(C(=O)N[C@@H](c1ccc(CC)cc1)C(C)C)C(C)C 918058136 WPVOAYXBGLGZEO-GOSISDBHSA-N 302.462 4.552 30 20 DJED CCc1ccc(C(C)(C)C(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1 1126637955 QGMQSNXKFYUIFZ-HNNXBMFYSA-N 321.420 4.703 30 20 DJED CC(C)(C)N(Cc1ccccc1)C(=O)CC1(C#N)CCCCC1 1127615497 IAWHAIZAPBWEFP-UHFFFAOYSA-N 312.457 4.678 30 20 DJED C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)CC1(C#N)CCCCC1 1129395461 PTMHTPRKDXILNR-CVEARBPZSA-N 304.478 4.524 30 20 DJED CCCCN(C(=O)c1ccc(F)c(C#N)c1)[C@H]1CCC[C@H](C)C1 1129417706 WPLBEGXJDBPZCJ-YOEHRIQHSA-N 316.420 4.518 30 20 DJED Cc1cc(N[C@H](C)Cc2c(Cl)cccc2Cl)ncc1C#N 1162953933 MDIBYIYEZPMDCZ-LLVKDONJSA-N 320.223 4.612 30 20 DJED N#Cc1ccc(C2=CCN(Cc3ccc(Cl)cc3)CC2)cc1 1192946777 KZONDCPBICZYFP-UHFFFAOYSA-N 308.812 4.501 30 20 DJED CC[C@@H](C)N(CC)C(=O)Nc1scc(C(C)(C)C)c1C#N 1205531965 VBRSYBNJYQQXLZ-LLVKDONJSA-N 307.463 4.570 30 20 DJED Cc1nc(N2CCC(C)(C)CC(C)(C)C2)c(Cl)cc1C#N 1307162565 ISRIIAOZOJCGCW-UHFFFAOYSA-N 305.853 4.568 30 20 DJED C#CCCCCC(=O)N(c1ccccc1)c1cccc(OC)c1 1331336458 CLZWMGJDMBYSPB-UHFFFAOYSA-N 307.393 4.554 30 20 DJED CCC[C@H]1CCCC[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N 1458162965 HDLROJJINRDTFA-AAEUAGOBSA-N 311.351 4.743 30 20 DJED Cc1ccccc1[C@@H]1C[C@H]1Nc1nc(C(C)(C)C)ccc1C#N 1458472691 PGMYKXQYPIEQSH-DLBZAZTESA-N 305.425 4.527 30 20 DJED CCCCN(CCCC)c1nccc(Oc2cccc(C#N)c2)n1 1472652811 FKRAOEBQANMZCY-UHFFFAOYSA-N 324.428 4.547 30 20 DJED COc1cc(C#N)ccc1CSc1ccc(Cl)c(F)c1 1473056362 UWBFWONPNCIVCW-UHFFFAOYSA-N 307.777 4.652 30 20 DJED CC(C)(C(=O)O[C@H]1CCC[C@@H](C#N)C1)c1ccc2ccccc2c1 1525049010 PWZRZSOHZIUQFX-BEFAXECRSA-N 321.420 4.743 30 20 DJED Cc1ccc([C@H](C)OC(=O)c2ccc(C(C)(C)C#N)cc2)cc1 1525572315 SWKFOVFWNFPRRM-HNNXBMFYSA-N 307.393 4.714 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(C2CCC2)cc1 1526207745 BWARRFFIQFBDJZ-HNNXBMFYSA-N 318.420 4.659 30 20 DJED N#CC[C@@H](C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 1530686414 PPOVYWGNZZKGPZ-GFCCVEGCSA-N 319.191 4.629 30 20 DJED Cc1c(Cl)cnc(N[C@H](C)c2ccc(Cl)cc2)c1C#N 1559207355 LOFCZDKUAYPIST-SNVBAGLBSA-N 306.196 4.742 30 20 DJED CCCn1c(S[C@@H]2CC[C@@H](C#N)C2)nc2cc(Cl)ccc21 1559329047 XQMTUOQWCCNAOZ-DGCLKSJQSA-N 319.861 4.884 30 20 DJED CCCN(CC1(CC#N)CC1)[C@H]1C[C@H](OCC)C12CCCCC2 1559573729 LDUNOVUYIHLENV-ROUUACIJSA-N 318.505 4.520 30 20 DJED CCCCN(Cc1ccc(F)cc1C#N)[C@@H]1CCC[C@H](C)C1 1559870779 GASYINPPTHPVED-HNAYVOBHSA-N 302.437 4.878 30 20 DJED CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H](C#N)CC 1635873022 UZFFOICXGWXDHV-RHSMWYFYSA-N 320.864 4.825 30 20 DJED CC[C@H](C)Oc1ccc(Nc2nc(Cl)c(C#N)s2)cc1 1639335820 LWTCXNGUUIMXMO-VIFPVBQESA-N 307.806 4.589 30 20 DJED N#CC1(CCSc2nc3cc(Cl)cnc3[nH]2)CCCCC1 1640614751 VLVXHZHQXQWODA-UHFFFAOYSA-N 320.849 4.568 30 20 DJED C[C@@H](COCc1ccccc1)CSc1cccc(F)c1C#N 1643959260 VXBYHIHQKQXZAD-AWEZNQCLSA-N 315.413 4.642 30 20 DJED CC1(C)CN(c2ncc(C#N)cc2Cl)c2cccc(Cl)c21 1651575004 SMXHMUOEZUNIRM-UHFFFAOYSA-N 318.207 4.689 30 20 DJED CCCCC1CCC(CNC(=O)Nc2cccc(C#N)c2)CC1 1667574346 HFBVPZXJYRNZLE-UHFFFAOYSA-N 313.445 4.676 30 20 DJED CC(C)(C#N)c1ccc(Nc2ccc([N+](=O)[O-])cc2Cl)cc1 26724020 QUDOWVLYYHMUCJ-UHFFFAOYSA-N 315.760 4.793 30 20 DJED C[C@H](C(=O)Nc1cc(C(C)(C)C)sc1C#N)c1cccs1 91208380 CLPPQFYKLVASLN-JTQLQIEISA-N 318.467 4.721 30 20 DJED C[C@H](C#N)CSc1ccccc1NCc1ccc(F)cc1 108354801 LGPXVAJXNUZVRX-CYBMUJFWSA-N 300.402 4.690 30 20 DJED CC(C)[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(CC#N)cc1 112734335 NPRJCVYZEWZTHO-LJQANCHMSA-N 321.424 4.614 30 20 DJED COc1ccc(CNc2cccc(C)c2C)cc1OCCCC#N 114758931 BMMRTLQFWRCWQH-UHFFFAOYSA-N 324.424 4.607 30 20 DJED CCc1ccc(C(=O)/C=C/c2cccc(OC(F)F)c2)s1 195741294 UGYPZTLFUFCGBZ-SOFGYWHQSA-N 308.349 4.808 30 20 DJED O=C(/C=C\c1cccc2c1OCCO2)c1ccc2ccccc2c1 207255700 WPGGSBLXKURIRX-KHPPLWFESA-N 316.356 4.507 30 20 DJED C[C@@H](Nc1c(F)cccc1Br)c1cccc(C#N)c1 232120749 RBMHVXIDSYYYLX-SNVBAGLBSA-N 319.177 4.633 30 20 DJED CC[C@H](NCc1ccc(O[C@H](C)C#N)cc1)c1ccc(C)cc1 236944529 MKMILJWIPCTOAD-UZLBHIALSA-N 308.425 4.527 30 20 DJED C[C@@H]1CC[C@H](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 246555208 KJUXJFIKFCYMMS-KFWWJZLASA-N 316.470 4.846 30 20 DJED Cc1cc([C@@H](C)Nc2nc(C)c(C#N)cc2Cl)c(C)s1 312652398 YTBXQIQDHINEJM-SNVBAGLBSA-N 305.834 4.767 30 20 DJED CC(O)=Nc1ncccc1N=C(O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 329641078 ZPJASAOQVQNPBO-RRFJBIMHSA-N 315.417 4.884 30 20 DJED C=CCCOCCCCC(=O)N1CCC[C@@H](C)c2ccccc21 348191475 GWOWLBAGEOTJRZ-QGZVFWFLSA-N 315.457 4.680 30 20 DJED CCSc1ccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1 425123617 DOYWXWBOQCYCCX-CQSZACIVSA-N 324.449 4.503 30 20 DJED CCC[C@@H](NCC1(CC#N)CC1)c1cccc(C(F)(F)F)c1 430740864 QSVIFNKWDIZJEI-OAHLLOKOSA-N 310.363 4.830 30 20 DJED C=CCC[C@H](NC(=O)N[C@H]1CCCc2occc21)c1ccccc1 434987966 WXUYNSQSZILLCO-ROUUACIJSA-N 324.424 4.664 30 20 DJED C[C@H](Sc1cccc(C#N)c1)c1nnc(-c2cccs2)o1 435034892 NZJXBWKODQROGR-JTQLQIEISA-N 313.407 4.523 30 20 DJED Cc1ccc(SCC(F)(F)F)c(N[C@H]2CC[C@@H](C#N)C2)c1 442853730 JMQGHIIHDXXFTB-NEPJUHHUSA-N 314.376 4.754 30 20 DJED C[C@@H](SCc1cnn(-c2ccccc2)c1)c1cccc(C#N)c1 443145426 YCOHLYWYDAAHHT-OAHLLOKOSA-N 319.433 4.738 30 20 DJED CCC1(CC)CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 446955242 YPWJKPZKSFUZST-UHFFFAOYSA-N 313.445 4.532 30 20 DJED CC[C@@H](C)Oc1cccc(NC(=O)Nc2cccc(CC#N)c2)c1 455910910 URRUBDPHWBFBFP-CQSZACIVSA-N 323.396 4.574 30 20 DJED CCC(C)(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 467108140 ZEHHBEHLLKYOQR-UHFFFAOYSA-N 304.459 4.653 30 20 DJED C[C@H](Nc1cccc(OCCCC#N)c1)C1CCC(F)(F)CC1 474043576 GQVDUNVOOFYRDW-AWEZNQCLSA-N 322.399 4.995 30 20 DJED CCN(CCCCOC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 475046203 JIANQFZZIOEJBJ-MRXNPFEDSA-N 302.462 4.536 30 20 DJED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)C[C@@H](CC#N)c1ccccc1 476291427 VVINTUNLEZGENM-QRQLOZEOSA-N 312.457 4.501 30 20 DJED C=CCC1(C(=O)Nc2ccc(COC3CCCC3)cc2)CCC1 479999331 YTMKRIWBZUOAHX-UHFFFAOYSA-N 313.441 4.831 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@H]2NC1(c2ccc(F)cc2)CC1 481995131 UVNNWQCYQFUZQO-HXUWFJFHSA-N 320.411 4.744 30 20 DJED Cc1cccc([C@@H](NCc2ccc(C#N)c(F)c2)C(C)(C)C)c1 484078457 UWMIHPVDHZQWQG-LJQANCHMSA-N 310.416 4.883 30 20 DJED C=C(C)CN(CC)C(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 499196995 MPLIOLQFRJZGCS-QZTJIDSGSA-N 309.494 4.567 30 20 DJED C=CCC[C@H](C(=O)NC1CC(c2ccccc2)C1)c1ccccc1 500954951 OOLZFVCIPANQGH-CBNMVNINSA-N 319.448 4.799 30 20 DJED Cc1cccc(N(C)C(=O)c2sc3ccc(C#N)cc3c2C)c1 550141075 ORTDSYJCVBGRRO-UHFFFAOYSA-N 320.417 4.666 30 20 DJED CC(C)(C#N)Cc1nc(-c2cccc(Oc3ccccc3)c2)no1 561871931 IQHGBALUPWFOOV-UHFFFAOYSA-N 319.364 4.621 30 20 DJED N#C[C@H]1CC[C@H](N2CCC(c3ccc(Cl)cc3Cl)CC2)C1 578791894 ZBAPOXMVJMIBPI-WFASDCNBSA-N 323.267 4.865 30 20 DJED C[C@H](NCc1ccc(C#N)cc1F)c1ccc(F)c2ccccc12 588931595 QEYZDPITHMTYSD-ZDUSSCGKSA-N 322.358 4.840 30 20 DJED C=CCOc1ccc(CNCc2ccc(CC)s2)cc1Cl 589640682 LDPUNIQVMGWGKT-UHFFFAOYSA-N 321.873 4.819 30 20 DJED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CC2CC2)cc1Cl 603765868 AFFYULUKFURMKQ-QGZVFWFLSA-N 324.811 4.734 30 20 DJED C[C@H](NCc1cccc(C#N)c1F)c1cccc(C(F)(F)F)c1 611376251 BKPHMPAAWXNWMN-NSHDSACASA-N 322.305 4.567 30 20 DJED N#Cc1ccc(CN[C@H]2CCc3c(Cl)cccc32)cc1Cl 619746784 KJCRQYVEBQWNML-KRWDZBQOSA-N 317.219 4.642 30 20 DJED Cc1cc(N[C@@H](C)CC(C)(C)C#N)cc(C)c1Br 695810090 CMGFFEVILRPTHR-LBPRGKRZSA-N 309.251 4.806 30 20 DJED CCCCC(=NNc1ncnc2sccc12)c1ccccc1 725819131 KBGAVFYROAZKIZ-UHFFFAOYSA-N 310.426 4.698 30 20 DJED C=CCCCCCN(C)C(=O)c1cc(Cl)nc2ccccc12 739653859 HGJGEDSCNXRLGD-UHFFFAOYSA-N 316.832 4.707 30 20 DJED CC(/C=C\C(=O)c1cc([N+](=O)[O-])ccc1F)=C/c1ccccc1 752875117 OKVGVEOYWOCCON-BXUXAFCHSA-N 311.312 4.576 30 20 DJED CCOc1ccc(C(=O)/C=C/c2cnc(C3CCC3)s2)cc1 760262027 IIQLGAXQPTYXBY-ZHACJKMWSA-N 313.422 4.705 30 20 DJED COc1ccc2oc(/C=C\C(=O)c3cc(F)ccc3F)cc2c1 763290494 QPIXUHRMKDKTTQ-UTCJRWHESA-N 314.287 4.616 30 20 DJED O=C1/C(=C\c2cccc(-c3cccnc3)c2)Cc2c(F)cccc21 768490475 PXTNFJQNAUXJIU-BOPFTXTBSA-N 315.347 4.710 30 20 DJED COc1ccsc1C(=O)/C=C/c1cc(C)c2ncccc2c1 769747302 VQQJBYCFMIMLBA-AATRIKPKSA-N 309.390 4.509 30 20 DJED CSc1cccc(N[C@H](C)c2ccc(C#N)c(F)c2)c1C 777301120 GRCGRQFLCVLCQO-GFCCVEGCSA-N 300.402 4.901 30 20 DJED CC(CCc1n[nH]c2ccccc12)=NNc1cccc(Cl)c1 782217973 COVXGTARGKEQEQ-UHFFFAOYSA-N 312.804 4.637 30 20 DJED C=CCOc1ccc(CN(C(=O)/C=C/C=C\C)C(C)(C)C)cc1 786644704 TUFNKSFAVLZZLT-JWJWWGMXSA-N 313.441 4.511 30 20 DJED O=C(/C=C/c1cnc(-c2ccco2)s1)c1c[nH]c2ccccc12 789126509 FZKRDNUAEFHMDE-BQYQJAHWSA-N 320.373 4.781 30 20 DJED N#C[C@@H](C(=O)C1(C2CCCCC2)CCCCC1)c1ccccn1 796632696 NACDQUVELPMWLO-QGZVFWFLSA-N 310.441 4.789 30 20 DJED C[C@H](CC1CCCC1)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797573004 MFHFNNJIOSKVSZ-TZMCWYRMSA-N 318.486 4.833 30 20 DJED FC(F)C1CCC(=NOc2ccccc2C(F)(F)F)CC1 799482258 KFCPJWHRENTVBD-UHFFFAOYSA-N 307.262 4.896 30 20 DJED C[C@@H](NCC(C)(C)CCC#N)c1ccc(Cl)c(Cl)c1O 806177999 NLLGSQWSJFGRQU-SNVBAGLBSA-N 315.244 4.680 30 20 DJED C=CCC(F)(F)C(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 814942178 MMNQAXGAIRQOBK-VIFPVBQESA-N 322.182 4.724 30 20 DJED C=CCC(F)(F)C(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 815745990 UFAFGFZCBTWQHL-VXGBXAGGSA-N 315.791 4.502 30 20 DJED C=CCN(C(=O)c1cc2c(s1)-c1ccccc1CC2)C(C)C 914682754 FIKFGIWLAIFGEX-UHFFFAOYSA-N 311.450 4.550 30 20 DJED CC(=NNc1ccc(C(=O)O)cc1)c1ccc(Cl)cc1Cl 916240491 DDCVLFJKPXSCRC-UHFFFAOYSA-N 323.179 4.528 30 20 DJED CCC[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 916627899 CLKKKJZLVVRWMR-HIFRSBDPSA-N 312.438 4.731 30 20 DJED C[C@@H](NN=Cc1ccc(-c2ccc(F)cc2)o1)c1ccccc1 920386338 YAHDQFSYENITFG-CQSZACIVSA-N 308.356 4.770 30 20 DJED C[C@H](CC(C)(C)C#N)N[C@H](C)c1nc(-c2ccccc2)cs1 925377640 QUNIHKCSWYUXCY-ZIAGYGMSSA-N 313.470 4.789 30 20 DJED C=C[C@H](CC)CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 929552432 MMGKFNOUEFBUAI-UKRRQHHQSA-N 314.454 4.562 30 20 DJED N#CCC1(CNC2(c3ccc(Cl)cc3)CCCCC2)CC1 1167876618 RJEGSJZAAVBZGL-UHFFFAOYSA-N 302.849 4.783 30 20 DJED C=CC1CCN(C(=O)Nc2ccc(C)c(Cl)c2Cl)CC1 1253743325 AXMYFWOYDWVWJR-UHFFFAOYSA-N 313.228 4.732 30 20 DJED CN(C(=O)c1ccc(-c2ccccc2)s1)c1ccc(C#N)cc1 1319596521 CEGCXWDZXYRBJD-UHFFFAOYSA-N 318.401 4.563 30 20 DJED CC[C@H](Cc1ccccc1C)C(=O)O[C@H](C)c1cccc(C#N)c1 1355925943 HDMNPFUYHUUGHX-SJLPKXTDSA-N 321.420 4.740 30 20 DJED COc1cc(C#N)ccc1NC(=O)CC(C)(C)C1CCCCC1 1458668133 JUJNKXNXIIHMFS-UHFFFAOYSA-N 314.429 4.502 30 20 DJED COc1ccc(C#N)cc1CN(C)C1CCC(C(C)(C)C)CC1 1473128175 NKLTVUHRKCQJQX-UHFFFAOYSA-N 314.473 4.604 30 20 DJED N#Cc1c(F)cccc1CN1CC2(CCCC2)c2ccccc21 1560745144 DKFJTXXPSMDXNL-UHFFFAOYSA-N 306.384 4.529 30 20 DJED CC(C)[C@@H]1C[C@@H](OC(=O)c2csc(C#N)c2)c2ccccc21 1586468467 COEXVRLLJGICHY-DLBZAZTESA-N 311.406 4.661 30 20 DJED Cc1cc(C)cc(NC(=O)[C@H](C)Sc2ccc(C#N)c(C)c2)c1 1614552677 BDQHUFIHIDTFAF-HNNXBMFYSA-N 324.449 4.603 30 20 DJED C[C@@H](Cc1ccccc1C(F)(F)F)N[C@@H](C)CC(C)(C)C#N 1621197311 DZDOCUXRJUWJJT-STQMWFEESA-N 312.379 4.554 30 20 DJED N#Cc1cccc(CSc2nc3ccc(Cl)cc3[nH]2)c1F 1651548786 PQJQYSVCDZVVIV-UHFFFAOYSA-N 317.776 4.519 30 20 DJED N#Cc1c(F)cccc1CN1CCCCC[C@@H]1c1ccccc1 1657425072 JJIYJQMDPRSTKN-HXUWFJFHSA-N 308.400 4.815 30 20 DJED C[C@@H](Cc1ccc(Cl)cc1)N[C@@H]1CCCc2cc(C#N)ccc21 1658370952 LUTYXRZOOCDVSQ-VBKZILBWSA-N 324.855 4.810 30 20 DJED CC(C)(C)c1ccccc1/C=C/C(=O)c1ccc(CC(=O)O)cc1 1776276444 IVIATVAZWAYNJG-OUKQBFOZSA-N 322.404 4.507 30 20 DJED CC[C@H](C)c1ccc(/C=C2/CCc3occ(C(=O)O)c3C2=O)cc1 1776698682 SBGMZODJSXYYOY-GQVHDAKQSA-N 324.376 4.704 30 20 DJED N#CC[C@H]1C[N@@]1C(c1ccccc1)(c1ccccc1)c1ccccc1 1857776318 KUFZDUQIKUDLPA-WIOPSUGQSA-N 324.427 4.576 30 20 DJED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(F)cc1 18114172 CCHJRFGPKBDZRE-UHFFFAOYSA-N 316.335 4.617 30 20 DJED CCOc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1Cl 37773411 PHBKGPJOIHUQOD-LBPRGKRZSA-N 300.789 4.783 30 20 DJED N#Cc1cccc(CNc2ccccc2CCC(F)(F)F)c1 89118699 WPUSSLAKHIDPTN-UHFFFAOYSA-N 304.315 4.665 30 20 DJED CCCCCCCCC(=O)Nc1cccc(N2CCCC2=O)c1 104984204 FFBPDZNMYFMSJU-UHFFFAOYSA-N 316.445 4.503 30 20 DJED CCC[C@@H](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N 108237838 RCYDZAUUHVMOKG-KGLIPLIRSA-N 304.459 4.703 30 20 DJED C#CCCCCC(=O)Nc1cccc(CSC(C)C)c1C 119907616 WBKAAUIRFBKMLC-UHFFFAOYSA-N 303.471 4.769 30 20 DJED Cc1ccc(C(=O)/C=C\c2csc(-c3ccsc3)n2)o1 130705093 LITRONYUYOEYRB-ARJAWSKDSA-N 301.392 4.669 30 20 DJED CCCCCCC[S@](=O)Cc1coc(-c2cccs2)n1 132929268 AVNKQVYHNXTRAF-HXUWFJFHSA-N 311.472 4.622 30 20 DJED Cc1cc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc(C)c1F 155837389 YFJJVOPJIJZRPL-ZDUSSCGKSA-N 316.401 4.513 30 20 DJED Cc1cccc(C(C)C)c1NC(=O)CSc1cccc(C#N)c1 177105813 NEVGZHCBMKGNSA-UHFFFAOYSA-N 324.449 4.721 30 20 DJED C[C@H](CCC(=O)[C@H](C#N)c1nc2ccccc2o1)c1ccccc1 178958278 PUTIDXSJYFRQOP-ZBFHGGJFSA-N 318.376 4.588 30 20 DJED C=C(C)[C@@H](N[C@@H](C)c1cc(C)ccc1O)c1ccc(F)c(F)c1 186451022 KWLLTLLSBDITMS-ORAYPTAESA-N 317.379 4.947 30 20 DJED C[C@@H]1CC/C(=C\C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 267827880 BVFJEIAMVPWIJU-JZMJITHDSA-N 314.454 4.766 30 20 DJED C=CCn1c(SCc2ccc(F)cc2C#N)nc2ccccc21 303229196 XWIGDMLQIIQBBP-UHFFFAOYSA-N 323.396 4.525 30 20 DJED COc1cc(N=C(O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)ccc1O 329119667 VMEFWOOJTLRHDB-VHDGCEQUSA-N 303.402 4.595 30 20 DJED O/C(=N/C1CCC(/C(O)=N\[C@@H]2CC23CCCCC3)CC1)C1CC1 330022414 ZMPOLDCDHUGNSR-UYSNPLJNSA-N 318.461 4.591 30 20 DJED C/C(O)=N/[C@H](CC1CCC1)/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 330236155 ZBESDOHRIIUHEB-BSDSXHPESA-N 320.477 4.837 30 20 DJED CC[C@@H](/N=C(/O)c1csc(C(C)(C)C)n1)c1c(C)noc1C 330473680 QLPNQORJCQHLFV-LLVKDONJSA-N 321.446 4.501 30 20 DJED CCCc1csc(CN[C@@H](CCCC#N)c2ccccc2)n1 353914072 KQUXICVCOISYCS-KRWDZBQOSA-N 313.470 4.620 30 20 DJED C=C[C@H](CC(=O)NC1CC(C)(c2ccccc2)C1)c1ccccc1 410078496 AGRLFVIVIWXAAP-FEPNQTLGSA-N 319.448 4.583 30 20 DJED C=CC[C@H]1N(C(=O)Nc2c(C)cccc2C)CCCC1(C)C 444817789 ODBXQWGOKODULH-MRXNPFEDSA-N 300.446 4.902 30 20 DJED N#CCCCC(=O)N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 462402625 OJIAVLYMACXSJB-DLBZAZTESA-N 318.848 4.566 30 20 DJED CC(C)(C#N)c1ccccc1CN1CC[C@H](c2cccc(F)c2)C1 487413389 SGEHHHZKOZHYPN-KRWDZBQOSA-N 322.427 4.616 30 20 DJED Cc1cc(CNCc2cccc(C#N)c2)ccc1-c1ccccc1 494232294 ZGVHTRIDDCETJW-UHFFFAOYSA-N 312.416 4.824 30 20 DJED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)Cc1cc(C#N)cs1 507206934 ASJOBRNAQOFYAH-NSHDSACASA-N 324.371 4.832 30 20 DJED C=CC[C@@H](C)NC(=O)[C@H](Sc1ccccc1)c1ccccc1 522642516 RBQIPRJKAHUDSP-CRAIPNDOSA-N 311.450 4.601 30 20 DJED Cc1cc(C)cc([C@H](C)Nc2nc(C(F)(F)F)ccc2C#N)c1 523755263 FIPIENIYYWUTAK-LBPRGKRZSA-N 319.330 4.762 30 20 DJED C[C@@H](Sc1ccc(C#N)cc1Cl)C(=O)c1ccc(F)cc1 531544492 IJGRWRINFYLNEM-SNVBAGLBSA-N 319.788 4.714 30 20 DJED CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 542554453 ICLCLLDVQNSPSN-HNNXBMFYSA-N 318.848 4.500 30 20 DJED C=CCCO[C@@H](C)c1nc(-c2ccc(O[C@@H](C)CC)cc2)no1 547159002 AXFAEZXTWBZKFY-KBPBESRZSA-N 316.401 4.568 30 20 DJED Cc1nc(-c2ccc(OCc3cccc(C#N)c3)cc2)cs1 552305056 RUAFOCOOUKQSDZ-UHFFFAOYSA-N 306.390 4.569 30 20 DJED CC(C)(C)c1ccccc1NC(=O)c1cc(C#N)ccc1Cl 554675477 LOLASDQIBPSDEB-UHFFFAOYSA-N 312.800 4.761 30 20 DJED Cc1csc(NC(=O)C2CCC(c3ccccc3)CC2)c1C#N 554774724 YVTVXRIBUAGCBD-UHFFFAOYSA-N 324.449 4.841 30 20 DJED N#Cc1ccnc(SCCCOc2ccc3ccccc3c2)c1 565435789 CWDYAVKDLSAGQE-UHFFFAOYSA-N 320.417 4.668 30 20 DJED C=CCCCCCN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1Cl 573142469 XBJLFJONSMSBKI-CVEARBPZSA-N 305.849 4.648 30 20 DJED Cc1ccc([C@@H](N[C@@H]2CCc3ccc(C#N)cc32)C2CC2)cc1 574561443 HAWNHSCDAYOGQC-NHCUHLMSSA-N 302.421 4.595 30 20 DJED N#CCC1(CSCc2cccc(OCC(F)(F)F)c2)CC1 596335402 XVBHPIUBGVVIJO-UHFFFAOYSA-N 315.360 4.555 30 20 DJED Cc1cccc(C2(C(=O)Nc3ccc(Cl)c(C#N)c3)CCC2)c1 602217790 NZBCHOYTWILMQF-UHFFFAOYSA-N 324.811 4.581 30 20 DJED C=C(C)CN(CC)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl 605236124 KNRIIUZSBQTYAF-NSHDSACASA-N 315.244 4.662 30 20 DJED C[C@H](SCCOc1ccccc1F)c1ccc(C#N)cc1 609825316 QCUINMALNACBFO-ZDUSSCGKSA-N 301.386 4.571 30 20 DJED Cc1cccc2c(N3CCC[C@H]3c3cccs3)c(C#N)cnc12 610211372 RGPZRXXQTXLUMB-INIZCTEOSA-N 319.433 4.818 30 20 DJED CC(C)[C@H](C)N1Cc2cccc(N=Cc3ccccc3O)c2C1 727685515 PVMFSGSOOGIQBD-HNNXBMFYSA-N 308.425 4.503 30 20 DJED CC(=NNc1nncc2ccccc12)C(C)(C)c1ccc(F)cc1 734977211 IOCIBMVZWHJSBS-UHFFFAOYSA-N 322.387 4.535 30 20 DJED CC(C)(C)c1ncc(/C=C/C(=O)c2cccc(Cl)c2)s1 736433282 QPMNHDWPJUMTSD-BQYQJAHWSA-N 305.830 4.990 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2ccc3sccc3c2)cc1 760479967 UJYHFPNOGFAEEH-UHFFFAOYSA-N 320.417 4.770 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N1CCC(O)(CC)CC1 775538579 LPEJHIMGQCEPIU-KRWDZBQOSA-N 311.510 4.527 30 20 DJED C[C@@]1(c2ccccc2)CCC(=NNc2cc(C#N)cc(Cl)n2)C1 780234489 BLFJJWGSORSEQJ-GOSISDBHSA-N 324.815 4.516 30 20 DJED CCCCn1ncc(Nc2snc(Cl)c2C#N)c1C(C)C 790808697 RDDCUGIJJFYVKF-UHFFFAOYSA-N 323.853 4.532 30 20 DJED CN(C)c1ccc(C(=O)/C=C/c2ccc(C(F)F)cc2)cc1 794938186 LNZHJTMIWXGKQZ-LFYBBSHMSA-N 301.336 4.586 30 20 DJED CC[C@@H](CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)C(C)C 797568023 NJBSNTKUJYQFSZ-STQMWFEESA-N 306.475 4.689 30 20 DJED CC(=NNc1nccnc1C1CCC1)c1cccc2ccccc12 807991139 HABPSRIOIXBIRH-UHFFFAOYSA-N 316.408 4.733 30 20 DJED C=CC[C@H](NC(=O)c1cc2cc(C)ccc2s1)c1ccncc1 810408355 DOUVKUVVCHPIOF-INIZCTEOSA-N 322.433 4.652 30 20 DJED N#C[C@@H](C(=O)CCC1CCCCCC1)c1nc(C2CC2)cs1 847735685 RMNHQOVTEQJNRJ-HNNXBMFYSA-N 316.470 4.947 30 20 DJED CC[C@@H](N[C@H](C)c1cc(F)ccc1OC)c1cccc(C#N)c1 902753931 UYVHYIIEKAWWIJ-FZKQIMNGSA-N 312.388 4.508 30 20 DJED Cc1c(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)oc2ccc(Cl)cc12 1129608255 BNETWSRMIUDQOF-DGCLKSJQSA-N 317.772 4.634 30 20 DJED N#Cc1cc(Cl)ccc1NC(=O)c1ccc2ccccc2c1 1131134705 OPAGMHCXZSCBJW-UHFFFAOYSA-N 306.752 4.617 30 20 DJED CCC(C)(C)c1ccc(CNc2snc(Cl)c2C#N)cc1 1162881738 VEQNRFDNFQCTLF-UHFFFAOYSA-N 319.861 4.968 30 20 DJED COc1ccccc1CCCN(CC(C)C)c1ccc(C#N)cc1 1167846279 ZOWXONPHZOSGSG-UHFFFAOYSA-N 322.452 4.662 30 20 DJED C[C@H](N[C@H](C)c1cc(Cl)ccc1F)c1ccc(C#N)cc1 1168498303 QOSARKWVBUSQDQ-NWDGAFQWSA-N 302.780 4.763 30 20 DJED CCN(Cc1ccc(F)c(C#N)c1)c1ccc(Cl)c(F)c1 1193828585 RFQLGBDKJZYMSJ-UHFFFAOYSA-N 306.743 4.516 30 20 DJED Cc1cc(C)c(/C=C/c2nnc(-c3ccc(C#N)cc3)o2)cc1C 1322257234 SRFXSLOPIWNBJJ-CMDGGOBGSA-N 315.376 4.704 30 20 DJED CC(C)(C)C1CCC(OC(=O)c2ccc(C#N)c(Cl)c2)CC1 1351925905 OQKIMBBGLAIDOW-UHFFFAOYSA-N 319.832 4.973 30 20 DJED Cc1c(C#N)cccc1NC(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1 1435497093 PFBZLNSGHLWBEQ-TZMCWYRMSA-N 324.346 4.564 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1Cl)c1cc(Cl)ccc1F 1459819746 ZPYICYDNKGFQBV-SNVBAGLBSA-N 323.198 4.855 30 20 DJED CCCCN(Cc1ccc(C#N)cc1F)[C@@H]1CCC[C@H](C)C1 1462280492 CBYMEVUPCPPVNM-MAUKXSAKSA-N 302.437 4.878 30 20 DJED CC[C@H](C#N)Oc1cccc(CNC[C@H]2CCCC(C)(C)C2)c1 1474008198 WYTITYJNNOALSE-ZWKOTPCHSA-N 314.473 4.674 30 20 DJED Cc1c(C#N)cccc1C(=O)O[C@@H](C)c1cccc(Cl)c1F 1536191056 PQVDVBSXSDNWNT-NSHDSACASA-N 317.747 4.577 30 20 DJED CC[C@@H](C#N)C(=O)N(C)[C@H](c1ccc(Cl)cc1)C1CCCC1 1556417472 WCZKJLCTHQAMER-GUYCJALGSA-N 318.848 4.579 30 20 DJED C[C@@H]1CCCN(Cc2ccc(-c3ccccc3C#N)cc2)[C@@H]1C 1559559295 NUBFZPHORPPQPN-IAGOWNOFSA-N 304.437 4.846 30 20 DJED N#C[C@@H](c1ccccc1)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 1559628056 QIDXRWHNTWNLCT-NQIIRXRSSA-N 315.420 4.612 30 20 DJED CC(C)[C@@H](CCc1ccccc1)C(=O)Nc1cc(F)cc(C#N)c1 1624291558 PAZQWWFVPZUZSQ-LJQANCHMSA-N 324.399 4.541 30 20 DJED N#Cc1cnc(Sc2nc3cc(F)ccc3s2)c(Cl)c1 1643172979 ZCZHJKPEQGMYID-UHFFFAOYSA-N 321.789 4.507 30 20 DJED Cc1c(Cl)cnc(NCCc2ccc(C(C)C)cc2)c1C#N 1649158760 GQHGVGWYJBLRFF-UHFFFAOYSA-N 313.832 4.693 30 20 DJED N#CCC1(CN2CCCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 1653387429 JIHNQSQTWMMEDU-INIZCTEOSA-N 322.374 4.926 30 20 DJED CCCOc1ccc(CNc2cccc(C#N)c2)c(OCCC)c1 1657015721 UKDHGWXRIHCXSW-UHFFFAOYSA-N 324.424 4.748 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](c2ccccc2)CC1 1657174528 JTGQDHRYQSHVGG-FXAWDEMLSA-N 304.437 4.889 30 20 DJED Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H](C)c2ccccc21 1667871811 BXNZEELRDBDGCO-CQSZACIVSA-N 319.408 4.803 30 20 DJED CCCCc1ccc(C(=O)/C=C\c2ccc(C(=O)O)cc2)cc1 1776806007 RFLVBHKFQQYYGI-ZROIWOOFSA-N 308.377 4.624 30 20 DJED C=CCOc1cccc(NC(=O)c2cc3cc(C)ccc3o2)c1 65749671 IJLPBPGDRJOGGM-UHFFFAOYSA-N 307.349 4.558 30 20 DJED N#CCCN(CC1CC1)C(=O)Nc1ccc(-c2ccccc2)cc1 176333987 QVJSAGYJHVCCQP-UHFFFAOYSA-N 319.408 4.511 30 20 DJED CCCCC[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2o1)C(C)C 176733483 VSOYKDWPOMQKCH-LSDHHAIUSA-N 312.413 4.857 30 20 DJED C=CCCC[C@@H](C)NC(=O)Nc1cccc(-c2nc(C)co2)c1 179682588 OGGOVJPNKMRHSP-CYBMUJFWSA-N 313.401 4.516 30 20 DJED C=CCC[C@@H](C(=O)Nc1ccc(O)cc1CC)c1ccccc1 191060463 KWWHMTGOMLEULW-GOSISDBHSA-N 309.409 4.643 30 20 DJED CCn1c2ccccc2c2cc(CNCCCCC#N)ccc21 237227988 QHEJRWDUWJTFGH-UHFFFAOYSA-N 305.425 4.598 30 20 DJED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc2c(c1)CCCC2 320008841 DWUJDTZCOCKPHT-CVEARBPZSA-N 304.437 4.849 30 20 DJED C[C@@H]1CC(C(O)=Nc2nc(C3CCOCC3)cs2)C[C@@H](C)C1 329180059 DGJNVDHSKUFRPZ-RYUDHWBXSA-N 322.474 4.697 30 20 DJED CC(C)(C)c1cc(N=C(O)[C@H]2CCCSC2)c(C#N)s1 329768820 HAGWODDFUHSEIK-JTQLQIEISA-N 308.472 4.648 30 20 DJED O/C(C/N=C(/O)C1CCCCC1)=N/[C@@H]1CCCc2sccc21 329814761 URLIDQHZOMXNMT-CQSZACIVSA-N 320.458 4.619 30 20 DJED CCC(CC)CN(CCC#N)Cc1cc(F)cc2cccnc12 353414539 BGFMGQKUWDKHMS-UHFFFAOYSA-N 313.420 4.526 30 20 DJED COc1ccc(CC[C@H](C)N[C@H](CCC#N)c2ccccc2)cc1 358344669 WUZAFHCBIZWUIR-LAUBAEHRSA-N 322.452 4.651 30 20 DJED CC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)cc1 417371001 SYOGJBVHMAPZIC-SFTDATJTSA-N 315.420 4.548 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2cc(F)ccc2C)CCCC1(C)C 444818749 PMQREWULTCDFME-INIZCTEOSA-N 304.409 4.733 30 20 DJED CC1CCC(CC(=O)Nc2ccc(CC#N)cc2Cl)CC1 452647779 STYOLUVDPIFJIE-UHFFFAOYSA-N 304.821 4.561 30 20 DJED C=CCC[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccc(C(F)(F)F)cc1 453182836 XTLTWFXHQDUVIS-BLLLJJGKSA-N 323.362 4.787 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H]2CCC[C@H]21 475583365 MTAYPTUBTJYUJF-CRAIPNDOSA-N 312.457 4.945 30 20 DJED CCc1cc(C#N)c(NC(=O)c2cc(C)c(Cl)cc2C)s1 483342603 NNETYLCGWVDZGG-UHFFFAOYSA-N 318.829 4.705 30 20 DJED N#Cc1nc(N2CCC[C@@H]2c2ccc(Cl)cc2)ccc1Cl 486162226 YZSBAKPTDZEJME-OAHLLOKOSA-N 318.207 4.602 30 20 DJED C=CC[C@H](C(=O)N1CC[C@H](c2cccc(F)c2)C1)c1ccccc1 488319193 YMTALIIBXOMJTG-ICSRJNTNSA-N 323.411 4.502 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)Nc1cc(C#N)ccc1OC 510789189 ZAKDRNLTLQZHTP-INIZCTEOSA-N 314.429 4.502 30 20 DJED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 513026273 QBLWENQPIZBJQB-ACDBMABISA-N 309.453 4.692 30 20 DJED N#Cc1c(NC(=O)[C@H]2CC=CCC2)sc2c1CCCCCC2 515677634 NWIWKUKPDNIDNR-ZDUSSCGKSA-N 314.454 4.574 30 20 DJED N#Cc1ccc(SCc2csc(C3CCCC3)n2)cc1 521799437 IBYAMHDAYBUMRW-UHFFFAOYSA-N 300.452 4.965 30 20 DJED CCC(C#N)(CC)C(=O)N(C)Cc1ccccc1-c1ccccc1 528337468 DCOQFJADMLBGRG-UHFFFAOYSA-N 320.436 4.642 30 20 DJED N#Cc1cccc(CN[C@H](c2cccc(F)c2)C2CCCC2)c1 531791604 QHPGNFBKSKUXCV-FQEVSTJZSA-N 308.400 4.718 30 20 DJED CSc1ccc(NCc2ccc(C#N)cc2F)cc1Cl 533445862 ZIWMPMAMZXWTDJ-UHFFFAOYSA-N 306.793 4.685 30 20 DJED C=C[C@H](CC(=O)Nc1ccc(C)cc1OCC)c1ccccc1 535348482 CWAVLONNCYSVDB-MRXNPFEDSA-N 309.409 4.692 30 20 DJED Cc1ccc2c(c1)[C@@H](N[C@H]1CCCc3cc(C#N)ccc31)CC2 557483719 RSKXUZGBQCGGKO-SFTDATJTSA-N 302.421 4.521 30 20 DJED N#CCCC1CCN(c2ccnc3cc(F)c(Cl)cc23)CC1 574036885 YPQMSCZIBMGKIK-UHFFFAOYSA-N 317.795 4.547 30 20 DJED CC(C)(C)CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209058 VGYVTLKYZUNJLP-UHFFFAOYSA-N 323.396 4.518 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2Nc1ncc(-c2ccccc2)s1 618693607 KOXSSIRVGTWSHI-QGZVFWFLSA-N 317.417 4.781 30 20 DJED N#CCOc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1 727744791 KWRKMKMFLJSCEX-DHZHZOJOSA-N 313.356 4.638 30 20 DJED CC(C)c1ccc(C(=O)/C=C\c2c(Cl)nc(Cl)n2C)cc1 728439268 GIMOSQLEMHFZGW-HJWRWDBZSA-N 323.223 4.746 30 20 DJED C=CCCO[C@H](C)C(=O)Oc1ccc([C@H](C)c2ccccc2)cc1 728853012 UJIHIVGZSOTZRV-IAGOWNOFSA-N 324.420 4.725 30 20 DJED CCCCCCCCOCC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 742897148 GHKMMSDXHFVAFD-YLJYHZDGSA-N 317.473 4.583 30 20 DJED Cc1cc(/C=C\C(=O)c2c[nH]c3cc(F)ccc23)cnc1Cl 760264183 KKPKDPWKRJFPEN-DJWKRKHSSA-N 314.747 4.560 30 20 DJED C#CC[C@H](N[C@H](C)c1ccc(F)cc1Cl)c1ccccc1 773113315 DBMMDFFYIJIUFV-ACJLOTCBSA-N 301.792 4.894 30 20 DJED C=CC[C@@H](N[C@H](C)c1cc2cccc(OC)c2o1)c1ccncc1 776159605 YCVGHNZHUJTTHB-RHSMWYFYSA-N 322.408 4.804 30 20 DJED CC(C)Oc1ccc(NCc2ccc3ncccc3c2)cc1C#N 779603722 LGELFSHEWRFVCW-UHFFFAOYSA-N 317.392 4.506 30 20 DJED O=C(/C=C\c1cccc(-c2cccnc2)c1)c1ccnc(Cl)c1 782193691 HCIMPCNXYHNTAK-SREVYHEPSA-N 320.779 4.693 30 20 DJED Cc1ccc(C)c2c1CC/C(=C/c1scnc1C1CC1)C2=O 782350627 BMSJZWVSMJNNMR-ZROIWOOFSA-N 309.434 4.850 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 785518752 TYSMYHIJBUQCBZ-FPOVZHCZSA-N 318.420 4.883 30 20 DJED C=CCC[C@@H](CC)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 792176425 CQNRBZWNAPYXOK-SWLSCSKDSA-N 319.836 4.785 30 20 DJED CCCCCC[C@@H](C)NC(=O)C[C@H](CC#N)c1ccccc1 792931240 GSKYYAREHNDNMA-AEFFLSMTSA-N 300.446 4.549 30 20 DJED N#Cc1ccc(Cl)c(C(=O)Oc2ccc3ccccc3c2)c1 794840139 CKJFVKULHGMUSJ-UHFFFAOYSA-N 307.736 4.584 30 20 DJED C=CCCCCCCNC(=O)N(C)[C@@H](C)c1ccc(OC)cc1 806004358 CWDLFIIEAKZJJH-INIZCTEOSA-N 318.461 4.534 30 20 DJED COc1cccc(O)c1/C=N/[C@@H](C)c1cccc(C(F)(F)F)c1 812394722 XADVHHMBBINLDV-JYQBEENSSA-N 323.314 4.600 30 20 DJED CC(C)(C#N)[C@H]1CCCC1=NNc1ccccc1Br 814791232 CKEQUORANICWQK-NSHDSACASA-N 320.234 4.567 30 20 DJED C[C@@H](OC(=O)CC1(C#N)CCCCC1)c1cnc2ccccc2c1 850803359 ZPUMNSLWXUIJKC-OAHLLOKOSA-N 322.408 4.703 30 20 DJED C=C(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccc(F)c(F)c1 864013207 MYVQGJAZAMGVRK-MRXNPFEDSA-N 322.286 4.741 30 20 DJED C#Cc1cccc(NC(=O)N(C)[C@@H](C)c2ccc(C)cc2C)c1 918030581 XSXPMONKHLDUCR-INIZCTEOSA-N 306.409 4.510 30 20 DJED CCCCCCCC(=O)O[C@@H](C)C(=O)Nc1cc(C)ccc1C 919222273 TUSXMEAXXJLCCV-INIZCTEOSA-N 319.445 4.534 30 20 DJED Cc1ccc(C2=CCN(c3nc(C)c(C#N)cc3Cl)CC2)cc1 1162333760 JXSLKQHOQUYCMV-UHFFFAOYSA-N 323.827 4.517 30 20 DJED Cc1c(Cl)cnc(NC2CC(C)(C)CC(C)(C)C2)c1C#N 1185958008 OKMUSOWYLKMOMU-UHFFFAOYSA-N 305.853 4.932 30 20 DJED CC[C@H]1CCCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1218508911 ZMQAENUFNHAVBV-LBPRGKRZSA-N 319.474 4.571 30 20 DJED CCCCn1ncc(Nc2cccc(F)c2C#N)c1C(C)C 1307113891 SPLAWIVCFUBKEN-UHFFFAOYSA-N 300.381 4.561 30 20 DJED C[C@H]1CCC[C@@H](C)N1Cc1ccc(-c2ccccc2C#N)cc1 1307505274 YLWNZHBJTYZDNH-CALCHBBNSA-N 304.437 4.988 30 20 DJED CCN(Cc1ccc(C#N)cc1Cl)c1cccc(Cl)c1 1307536363 PQFJFGWRFLRWMB-UHFFFAOYSA-N 305.208 4.892 30 20 DJED Cc1cccc2oc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)cc12 1342818294 LNTGKMVLRXZXSM-CYBMUJFWSA-N 324.405 4.811 30 20 DJED CC[C@H](C#N)[C@H](OC(=O)[C@H](C)c1ccc(C)o1)c1cccs1 1346398996 DYGKQEFAAQAKAA-IOASZLSFSA-N 317.410 4.587 30 20 DJED C/C(=C/Cl)CSCc1ccc(C#N)cc1OC(F)F 1473021868 RJGREGBHLZHKLE-UITAMQMPSA-N 303.761 4.535 30 20 DJED CC(C)c1cnc(S[C@H](C#N)C2CCCCC2)n1C1CC1 1559374694 MBCGXVNDCIDATA-MRXNPFEDSA-N 303.475 4.906 30 20 DJED Cc1cc(C#N)cc(NC(=O)CCCc2cc(C)sc2C)c1 1584930910 ZCNDXBYOPFAKDF-UHFFFAOYSA-N 312.438 4.506 30 20 DJED N#Cc1c(F)cccc1NCC1(c2ccc(Cl)cc2)CCC1 1611926922 QCJIXAFSBKXRFB-UHFFFAOYSA-N 314.791 4.885 30 20 DJED Cc1c(Cl)cnc(N[C@@H]2CCc3ccc(Cl)cc32)c1C#N 1652096422 XVIBQQAVVYGSAO-OAHLLOKOSA-N 318.207 4.668 30 20 DJED C[C@H]1CCC[C@@H](COc2ccc(Br)c(C#N)c2)C1 1652243341 RLQJEXDPPFECMV-NWDGAFQWSA-N 308.219 4.526 30 20 DJED CCCN(CCCC(C)(C)C#N)[C@@H]1C[C@@H](OCC)C12CCCC2 1653409179 OGIKMOOJYNKMCY-QZTJIDSGSA-N 320.521 4.766 30 20 DJED Cc1cc(Sc2nc(C3CCCC3)ns2)ccc1C#N 1655596254 XCJWEKOYLYHRBX-UHFFFAOYSA-N 301.440 4.527 30 20 DJED N#Cc1c(F)cccc1OCc1ccc(-c2ccccc2)cc1 1656388962 HOXCDHHAOLOFDM-UHFFFAOYSA-N 303.336 4.943 30 20 DJED CCC[C@H](CCc1ccccc1)N[C@@H]1CCc2cc(C#N)ccc21 1659091463 IEVFPSGYNUBDQP-IFMALSPDSA-N 318.464 4.937 30 20 DJED CC[C@H](Cc1ccccc1)N[C@H]1CCCc2cc(C#N)ccc21 1659476380 XTSYMJCRMZSTFC-CTNGQTDRSA-N 304.437 4.547 30 20 DJED CC[C@@H](C)c1ccc(C(=O)/C=C/c2cc(C(=O)O)cs2)cc1 1776699951 JTURPIUHKOMHCA-IDVQTMNDSA-N 314.406 4.856 30 20 DJED Cc1ccc(Oc2ccccc2)c(NC(=O)N(C)[C@H](C)CC#N)c1 86303326 PHYKYMDKADDNPM-OAHLLOKOSA-N 323.396 4.553 30 20 DJED O=C(/C=C/c1coc(-c2ccccc2)n1)c1ccc(F)c(F)c1 109707644 SZBRQDUVXHJFEC-VQHVLOKHSA-N 311.287 4.516 30 20 DJED Cc1ccc(-c2nnc(S[C@@H](C)c3ccc(C#N)cc3)o2)cc1 118173196 HYTXYJCSWHKZQE-ZDUSSCGKSA-N 321.405 4.770 30 20 DJED CC(C)(CCC#N)CNc1ccc2oc(C(F)(F)F)nc2c1 122939959 MFKBEPSVFQQTKH-UHFFFAOYSA-N 311.307 4.588 30 20 DJED O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccc(Cl)nc1 140328773 XJCDXTKFVYINFS-XVNBXDOJSA-N 311.690 4.650 30 20 DJED C=CCC(CC=C)C(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C 153022152 RPQYANCHTOFCRY-CQSZACIVSA-N 320.502 4.863 30 20 DJED Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)CCC2 180540419 WPRZOTFAYAZAPF-KKSFZXQISA-N 320.436 4.626 30 20 DJED CCCOc1c(CNc2ccc(CC#N)cc2)cccc1OCC 237007122 QNXYCKHMRLIHET-UHFFFAOYSA-N 324.424 4.552 30 20 DJED C=C(C)[C@H](CC(=O)Nc1ccccc1-c1cccs1)OCC 270034797 MPXWDQLHMIPERW-INIZCTEOSA-N 315.438 4.725 30 20 DJED Cc1ccccc1[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)C1CC1 271860998 KJJWXACXRWHIQF-IERDGZPVSA-N 320.436 4.699 30 20 DJED C=CCC[C@@H](NCc1cnc(C(C)(C)C)nc1)c1ccccc1 284440658 STRSFRKYAHOJPS-GOSISDBHSA-N 309.457 4.571 30 20 DJED Cc1cccc(COc2ccc(NC(=O)CCCC#N)c(C)c2)c1 291642478 HLDWZWBNPIAPGJ-UHFFFAOYSA-N 322.408 4.515 30 20 DJED CCOc1cccc([C@H](C)Nc2ccc(C#N)c(Cl)c2)c1 303480680 OMZOQDFBVBMGSG-LBPRGKRZSA-N 300.789 4.783 30 20 DJED Cc1ncc(N=C(O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c(C2CC2)n1 328753825 DLYJCBWGXJAPII-VNQPRFMTSA-N 313.445 4.857 30 20 DJED CC(C)c1cccc(C(C)C)c1N/C(O)=N/C[C@@]1(C)CCOC1 330756122 GVAPDZMXFBMANC-LJQANCHMSA-N 318.461 4.686 30 20 DJED Cc1ccc2[nH]c(CN[C@@H](CCC#N)c3ccccc3)cc2c1C 349644218 HIZAMFXWGJSORG-FQEVSTJZSA-N 317.436 4.919 30 20 DJED C[C@@H](CCC(C)(C)C)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425132446 RDDPPQZHPUJKGH-GJZGRUSLSA-N 300.446 4.540 30 20 DJED CN(CCCCC(C)(C)C#N)Cc1cccc(C(F)(F)F)c1 444596885 YJBSKWHOWPJYBR-UHFFFAOYSA-N 312.379 4.857 30 20 DJED FCCCN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444738766 SNFGVXBTAKUVLR-LLVKDONJSA-N 317.248 4.648 30 20 DJED COCCCC[C@H](NC1CCC(C)(C#N)CC1)c1ccccc1 449291761 AETZEAIQICPQCY-GPJFCIFZSA-N 314.473 4.606 30 20 DJED C=CC(C)(C)CN[C@@H](c1cccnc1)c1cc2ccccc2o1 453308748 NYTNHXCCIXAQNB-IBGZPJMESA-N 306.409 4.719 30 20 DJED N#Cc1ccc(NC(=O)c2sccc2-c2ccccc2)cc1F 464644028 QFLKRKSCLIZGDQ-UHFFFAOYSA-N 322.364 4.678 30 20 DJED CSc1ccc(F)cc1CNc1ccc(C#N)c(Cl)c1 467015221 GCRHBFZKWSFWTK-UHFFFAOYSA-N 306.793 4.685 30 20 DJED N#Cc1ccc(SCc2ncc(Cl)s2)c(Cl)c1 479139011 ULQBXLUJSREYNN-UHFFFAOYSA-N 301.223 4.614 30 20 DJED COc1cc(N[C@H]2CCCCc3cc(C#N)ccc32)ccc1F 481993160 SJOKHQRMXVPBNZ-SFHVURJKSA-N 310.372 4.586 30 20 DJED C=CCC[C@H](C(=O)N[C@@H]1CCC[C@@H](SC)C1)c1ccccc1 488972744 DYEPGEZUMGMENS-KURKYZTESA-N 317.498 4.527 30 20 DJED C[C@@H](c1ccccc1)[C@@H](C)NCc1ccccc1C(C)(C)C#N 495401022 IEFREBMNMJNVQQ-IAGOWNOFSA-N 306.453 4.770 30 20 DJED CCC[C@H](CC1CCCC1)C(=O)Nc1cc(C#N)ccc1OC 499562280 OVUAJADFMJNXJR-MRXNPFEDSA-N 314.429 4.502 30 20 DJED C=CCCCCCN(C)C(=O)c1cnn([C@H](C)CC)c1C1CC1 535531033 WYMLLDFWGVNNAG-OAHLLOKOSA-N 317.477 4.550 30 20 DJED N#CCC1(CN[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 585765151 SWFKRXNDGSDOJV-HZPDHXFCSA-N 322.374 4.625 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC(=O)C[C@H]1CCCC[C@@H]1C 604440759 PURZHAKVPVENTO-GOEBONIOSA-N 314.429 4.500 30 20 DJED CC(C)c1cnc(S[C@H](C#N)Cc2ccccc2)n1C(C)C 610034152 VNRCDLUDAAUSHX-INIZCTEOSA-N 313.470 4.814 30 20 DJED C(=NNC1CCCC1)c1c(-c2ccccc2)[nH]c2ccccc12 727652044 GYVATHIKIDGEPB-UHFFFAOYSA-N 303.409 4.701 30 20 DJED CC(=NNc1cnnc2ccccc12)c1ccc(C(C)C)cc1 733750309 SYWOJUJWFDGEOR-UHFFFAOYSA-N 304.397 4.589 30 20 DJED C[C@@H](SCCCOc1ccc(C#N)cc1)c1ccc(C#N)cc1 735675788 PIUYWOBJEBTWOZ-OAHLLOKOSA-N 322.433 4.693 30 20 DJED CC1(C)C(=NNc2ccc(Cl)c(Cl)c2)[C@@H]2CCCO[C@@H]21 743436000 RNYDEINUOBOFQV-HZMBPMFUSA-N 313.228 4.596 30 20 DJED CCCCCCCCCC(=O)Nc1ccc(N(C)C(C)=O)cc1 743713392 GEIQLVNKLRWWAM-UHFFFAOYSA-N 318.461 4.749 30 20 DJED O=C1/C(=C/c2cnc(C3CCC3)s2)CCc2cc(F)ccc21 760266027 RJYHJMNALKBXEU-UKTHLTGXSA-N 313.397 4.762 30 20 DJED Cc1cc(C)c2c(c1)OC/C(=C\c1ccc3cnccc3c1)C2=O 782328746 KQGVAQTWJDVYAG-VCHYOVAHSA-N 315.372 4.510 30 20 DJED CC(=NNc1cc(F)c(F)c(F)c1)C1CCC(F)(F)CC1 788716426 XWILUPKBCUJSPY-UHFFFAOYSA-N 306.278 4.717 30 20 DJED CC(C)(C)c1cnc(/C=C2/Cc3c(F)cc(F)cc3C2=O)s1 790608898 ICDKVUVVXQYKRI-UITAMQMPSA-N 319.376 4.541 30 20 DJED N#CC[C@@H](CC(=O)Oc1cccc2ccccc12)c1ccccc1 792869268 ZQVBZQSBQNWRJI-SFHVURJKSA-N 315.372 4.833 30 20 DJED O=C1/C(=C/c2ccc3ccccc3c2)Cc2nc(Cl)ccc21 806579508 IUQGCVKGXJQIPP-XNTDXEJSSA-N 305.764 4.711 30 20 DJED CC(C)C(CCc1ccc(Cl)cc1)=NNC[C@@H]1CCSC1 811658962 QKMMJYYMHSNBRX-HNNXBMFYSA-N 324.921 4.627 30 20 DJED CC(CC1CCOCC1)=NNc1cccc(Cl)c1Cl 841646093 WMZXVHYJOLNNTF-UHFFFAOYSA-N 301.217 4.598 30 20 DJED C[C@@H](Nc1cccc(F)c1C#N)c1cccc(OC(F)(F)F)c1 864011039 QYAYFHRHNYBAIK-SNVBAGLBSA-N 324.277 4.769 30 20 DJED Clc1ccccc1NN=Cc1csc(-c2ccsc2)n1 920358640 XSRIJMKBXMEDHQ-UHFFFAOYSA-N 319.842 4.971 30 20 DJED Oc1c(Cl)cc(Cl)cc1C=Nc1cc(F)ccc1F 920942444 DBPXZLSZDBFCRR-UHFFFAOYSA-N 302.107 4.728 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccccc1C(C)(C)C 1130174755 UOKSJDXUKKXFSM-HNNXBMFYSA-N 320.436 4.689 30 20 DJED C[C@@H](CC1CCCCC1)C(=O)N(C)c1ccc(C#N)c(Cl)c1 1131996870 ZZRODRPDBFHCNQ-ZDUSSCGKSA-N 318.848 4.781 30 20 DJED C=C(Br)CN1CCC[C@H](C)[C@H]1c1ccc(C)cc1 1167477918 IWKUEEWYRHQKQR-BBRMVZONSA-N 308.263 4.677 30 20 DJED N#Cc1cccc(CN2CCC[C@H]2CCCc2ccccc2)c1F 1307581240 NMTXQVOLLVILRR-HXUWFJFHSA-N 322.427 4.685 30 20 DJED CC[C@@H](NC(=O)Nc1cc(C#N)ccc1C)c1cc(C)ccc1C 1310382067 HEIRKKLDVNWLJA-GOSISDBHSA-N 321.424 4.756 30 20 DJED C=CCC[C@@H](NCCc1coc(-c2ccccc2)n1)c1ccco1 1322073687 PIIXPRUTZFROLL-GOSISDBHSA-N 322.408 4.774 30 20 DJED N#CC1(CSCc2ccc(OCc3ccccn3)cc2)CCC1 1328744845 CCGGGBKMNMPQNN-UHFFFAOYSA-N 324.449 4.588 30 20 DJED CCC(CC)N(C(=O)c1ccc(C#N)o1)c1ccc(C)c(C)c1 1357786024 QNDGENYDUCLDPI-UHFFFAOYSA-N 310.397 4.604 30 20 DJED Cc1c([C@H](C)Nc2nc(C#N)c(Cl)s2)oc2ccccc12 1458363858 LSUVCRVBGLDUTN-VIFPVBQESA-N 317.801 4.896 30 20 DJED Cc1cccc(C2=CCN(Cc3ccc(F)c(C#N)c3)CC2)c1C 1460926809 UIZDLLKOGUSXLC-UHFFFAOYSA-N 320.411 4.604 30 20 DJED Cc1cccc(C2(CNCc3cc(C#N)cs3)CCCC2)c1 1461128739 MGJFIIDLEQFECR-UHFFFAOYSA-N 310.466 4.530 30 20 DJED C=C(Cl)CNC(=O)c1ccc(-c2cccc(C(C)C)c2)o1 1465284092 XWMXYFOMIIXSNX-UHFFFAOYSA-N 303.789 4.552 30 20 DJED C=C(Cl)CNC(=O)N[C@H](c1ccc([C@@H](C)CC)cc1)C(C)C 1467980276 YYSVFYFLHNMIHE-GUYCJALGSA-N 322.880 4.949 30 20 DJED Cc1ccc(C(=O)Nc2cccc(CC#N)c2)c(Cl)c1Cl 1533222841 ABOQZGHVINJNIZ-UHFFFAOYSA-N 319.191 4.620 30 20 DJED C[C@H]1[C@H](C)CCCN1Cc1ccc(-c2ccccc2C#N)cc1 1559559297 NUBFZPHORPPQPN-SJORKVTESA-N 304.437 4.846 30 20 DJED CCCCN(Cc1ccc(F)cc1C#N)[C@@H]1CCC[C@@H](C)C1 1559870778 GASYINPPTHPVED-DNVCBOLYSA-N 302.437 4.878 30 20 DJED CC(C)(C#N)c1ccccc1CN[C@@H]1CCC[C@@H]1c1ccccc1 1648013250 QVENJRKUZMPXLY-TZIWHRDSSA-N 318.464 4.914 30 20 DJED CC[C@H](C)C[C@@H](C)Nc1cc(C)c(C#N)c2nc3ccccc3n12 1651561699 BIXOCONXPQIDLT-DZGCQCFKSA-N 320.440 4.904 30 20 DJED N#Cc1ccc(CSCc2ccccc2)c(Br)c1 1652572735 YBANMHGZKQXGES-UHFFFAOYSA-N 318.239 4.754 30 20 DJED CC[C@@H](NCc1cccc(C#N)c1F)C(C)(C)c1ccccc1 1653032133 UOLGVCZQLHHXEH-GOSISDBHSA-N 310.416 4.543 30 20 DJED Cc1ccncc1[C@H](C)Nc1c(C#N)cnc2c(Cl)cccc12 1655316503 HBJLSBJZUDCLQO-LBPRGKRZSA-N 322.799 4.636 30 20 DJED CC1(C)C[C@@H](c2ccccc2)N(Cc2ccc(C#N)cc2F)C1 1659508797 ZNSBACBGYWMAFG-IBGZPJMESA-N 308.400 4.671 30 20 DJED C[C@H](C1CCCCC1)N(C)C(=O)Nc1ccc(C#N)c(Cl)c1 1672794347 PDIRHRLDUNEICL-GFCCVEGCSA-N 319.836 4.644 30 20 DJED CCC(CCc1ccccc1)=NNc1cccc(C(=O)O)c1C 1776088876 OATOYUIKIJMVGN-UHFFFAOYSA-N 310.397 4.504 30 20 DJED CC[C@@H](C)c1ccc(/C=C\C(=O)c2cccc(C(=O)O)c2)cc1 1776698211 ILMQJKSTZIRMMK-FWLQQBITSA-N 308.377 4.794 30 20 DJED C=CCn1c(S[C@H](C)c2ccccc2Cl)nnc1C1CC1 72736547 KCPWLCNZTCKAGX-LLVKDONJSA-N 319.861 4.848 30 20 DJED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 80458031 UYKGMYROULPMTE-CYBMUJFWSA-N 323.421 4.546 30 20 DJED Cc1c(C(=O)/C=C\c2csc([N+](=O)[O-])c2)oc2ccccc12 98054985 FTHQYKGRDIPNRM-SREVYHEPSA-N 313.334 4.607 30 20 DJED Cc1ccoc1C(=O)/C=C/c1csc(-c2ccc(F)cc2)n1 119040051 ADBWKVITKRJZKU-VOTSOKGWSA-N 313.353 4.747 30 20 DJED Cc1csc(-c2ccc(NCc3cc(C#N)cs3)cc2)n1 125055860 WSVKFWIXONZVIG-UHFFFAOYSA-N 311.435 4.664 30 20 DJED CC(C)(C#N)CCCOc1cccc(C(=O)Nc2ccccc2)c1 135494960 OFWIJVHNBUCLIR-UHFFFAOYSA-N 322.408 4.648 30 20 DJED N#Cc1ccc(N[C@H]2CCO[C@@H](c3ccccc3)C2)cc1Cl 160646193 POWAHUJXJCSDOP-FUHWJXTLSA-N 312.800 4.544 30 20 DJED N#Cc1ccc(CNC(c2cccs2)c2cccs2)s1 176973137 HUBIJTCBLUZCDJ-UHFFFAOYSA-N 316.476 4.622 30 20 DJED Cc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1-c1ncco1 180005158 QLHIUHIANCCSAK-AWEZNQCLSA-N 303.365 4.695 30 20 DJED CC(C)(CCC#N)CNc1ccc(Cl)c(OC(F)F)c1 181167794 BRSQXCZBTKMNQE-UHFFFAOYSA-N 302.752 4.683 30 20 DJED N#CCC[C@H](NCc1cnc(-c2ccco2)s1)c1ccccc1 193175859 NBUMDHMSNDSGBM-INIZCTEOSA-N 323.421 4.538 30 20 DJED COc1cc(C(=O)/C=C\c2ccccc2C)ccc1OC(F)F 210060244 JPNKHTDHATWMRZ-CLFYSBASSA-N 318.319 4.501 30 20 DJED N#Cc1ccc(CNc2cc(Cl)cc(Br)c2)cc1 308318560 LZKYRNBEJLFKQR-UHFFFAOYSA-N 321.605 4.586 30 20 DJED CC1(C)C(O)=Nc2ccc(/C(O)=N/[C@H]3CC34CCCCC4)cc21 329113895 LPABGALPCFBYJP-HNNXBMFYSA-N 312.413 4.593 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCc2sccc21 344135228 PNZDBLLQOFFDEM-ZWKOTPCHSA-N 308.450 4.664 30 20 DJED C=CCC(C)(C)C(=O)Nc1cccc(Cl)c1Br 410766184 YQRKUYHYBFGFOI-UHFFFAOYSA-N 316.626 4.643 30 20 DJED C[C@@H](CCC(=O)N(C)[C@H](C)c1cccc(C#N)c1)c1ccccc1 425127721 JDPRJANDAALXJA-DLBZAZTESA-N 320.436 4.662 30 20 DJED C[C@@H](C#N)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 439016042 WJXDAUWEUSDPIS-UONOGXRCSA-N 310.422 4.638 30 20 DJED CN(Cc1ccccc1N[C@@H]1CC[C@@H](C#N)C1)C1CCCCC1 442869686 JIVMASVIOTVXGL-SJLPKXTDSA-N 311.473 4.555 30 20 DJED COc1ccccc1-c1ccc([C@@H](C)NCC2(C#N)CCC2)cc1 450681056 NMUZUZZZYRIJAG-MRXNPFEDSA-N 320.436 4.707 30 20 DJED CN(C(=O)c1cc2c(s1)CCCCCC2)c1ccc(C#N)cc1 461529702 AYQHJRIWULNVFY-UHFFFAOYSA-N 324.449 4.555 30 20 DJED CO[C@H](CNc1ccc(C#N)c(Cl)c1)c1cccc(Cl)c1 462949417 VZGNYZBOUDEQPK-MRXNPFEDSA-N 321.207 4.665 30 20 DJED Cc1cc(C)cc(Oc2ccc(NC(=O)N[C@H](C)CC#N)cc2)c1 480294617 SKTJEIRXAYLYNH-OAHLLOKOSA-N 323.396 4.519 30 20 DJED CC(C)(C#N)c1ccccc1CNc1ccc(Cl)cc1F 486439623 UIFXVXCOEVYCSQ-UHFFFAOYSA-N 302.780 4.892 30 20 DJED CCOc1ccccc1[C@@H](CC)NCc1ccc(C#N)c(C)c1 488127040 OVZKRIHTPHHUOK-LJQANCHMSA-N 308.425 4.506 30 20 DJED C=CC[C@H](C(=O)N[C@@H]1CCC[C@@H](SCC)C1)c1ccccc1 489675751 RBQNSNAYBMOASO-KURKYZTESA-N 317.498 4.527 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 489749631 HKJZUXOIEDZFDC-OAHLLOKOSA-N 310.784 4.510 30 20 DJED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N(CC#N)c1ccccc1 489918509 OADPGHPPIUKEEP-SJORKVTESA-N 318.420 4.533 30 20 DJED N#Cc1ccc2c(c1)[C@H](N[C@H](c1ccccc1)C1CCC1)CC2 519794935 QJPVXRGYZLAFSK-NHCUHLMSSA-N 302.421 4.677 30 20 DJED N#Cc1cc(F)c(NCc2ccc(-c3ccncc3)cc2)c(F)c1 523513432 DLCWBIPGURWHJT-UHFFFAOYSA-N 321.330 4.511 30 20 DJED C=C[C@H](CC(=O)N[C@H](CC)c1ccc(OC)cc1)c1ccccc1 534604553 DJRTVCFJHKDNJQ-OXQOHEQNSA-N 323.436 4.622 30 20 DJED C[C@@H]1Cc2ccc(F)cc2[C@H]1Nc1cccc(OCCCC#N)c1 537424633 BGFMBUIAPWBOGL-VLIAUNLRSA-N 324.399 4.854 30 20 DJED C=CCCC[C@@H](C)NC(=O)N(CC)Cc1ccc(Cl)s1 539389874 FUFKZKANQXFQFY-GFCCVEGCSA-N 314.882 4.678 30 20 DJED C=CCC[C@@H](Nc1cccc2c1OCC[C@H]2OC)c1ccco1 556877573 HLYIWIXWIMBKFY-NVXWUHKLSA-N 313.397 4.869 30 20 DJED C[C@H](c1ccccc1)N(C(=O)c1ccc(C#N)c(Cl)c1)C1CC1 561253680 BVEBSDRJKQCFRJ-CYBMUJFWSA-N 324.811 4.577 30 20 DJED C[C@H](C1CC1)n1cc(N[C@H]2CCCCc3cc(C#N)ccc32)cn1 562315749 JCQBLBNZSHLZPW-VLIAUNLRSA-N 320.440 4.605 30 20 DJED Cc1ccc2sc(C(=O)Nc3cccc(C#N)c3C)cc2c1 564507785 XCGCAQWSZFJWKR-UHFFFAOYSA-N 306.390 4.642 30 20 DJED C[C@@H](NCc1ccc(C#N)s1)c1ccc(F)c2ccccc12 564680125 RBUBLQKTCSRFSE-GFCCVEGCSA-N 310.397 4.763 30 20 DJED CN(CC(C)(C)C#N)C(=O)Nc1ccc2oc3ccccc3c2c1 573307698 XWBUBLDAMWOVCS-UHFFFAOYSA-N 321.380 4.599 30 20 DJED CC(C)(CCC#N)CN1CC[C@](F)(c2cccc(Cl)c2)C1 577590440 URLLREWBLYLNGG-QGZVFWFLSA-N 308.828 4.540 30 20 DJED Cc1ccc(F)c(-c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)c1 580601304 IDQBSRBIYDEYRJ-UHFFFAOYSA-N 321.355 4.652 30 20 DJED N#CCCCCCC(=O)NC1(c2ccc(Cl)cc2)CCCC1 588905839 SZHBMQNRFUVXCK-UHFFFAOYSA-N 318.848 4.700 30 20 DJED CC(C)(C#N)CCCCSCCc1noc2ccccc12 594562029 MOKBIXYARFMSMD-UHFFFAOYSA-N 302.443 4.824 30 20 DJED C=CC1CCN(C(=O)c2sc3cc(C)ccc3c2Cl)CC1 599686279 ZXTCKCFPNVKYRW-UHFFFAOYSA-N 319.857 4.901 30 20 DJED Cc1ccc(CN(Cc2ccco2)C[C@H](C)CCC#N)s1 602453038 YFFOUVFZNBAKCR-CQSZACIVSA-N 302.443 4.592 30 20 DJED CCCC[C@H](CC)COCc1cccc(NC(=O)[C@H](C)C#N)c1 609921190 XFUKICSSMCCVCN-CVEARBPZSA-N 316.445 4.518 30 20 DJED CC(C)(C#N)CCOc1ccc2ccc(C(F)(F)F)nc2c1 619698086 SDHCYALKSZLLSP-UHFFFAOYSA-N 308.303 4.572 30 20 DJED COc1cccc2cc(/C=C3/CCc4sccc4C3=O)oc12 726894419 ZHWKVHVUVQJVPY-LUAWRHEFSA-N 310.374 4.715 30 20 DJED CCC/C=C/C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 729375296 CVILBJRJEJNYBZ-XBXARRHUSA-N 306.365 4.645 30 20 DJED C[C@H](NC(=O)Nc1cccc(C#N)c1)c1csc2ccccc12 730020980 VFHBIITVAKBAGU-LBPRGKRZSA-N 321.405 4.656 30 20 DJED CCOCc1cc(/C=C\C(=O)c2cc(C)cc(C)c2)ccc1OC 730437209 QVWOSRKQYHVQQL-VURMDHGXSA-N 324.420 4.745 30 20 DJED CCCN(Cc1ccc(OCC#N)cc1)[C@@H](CC)c1ccccc1 731211962 KYUUXOJHAWABQK-NRFANRHFSA-N 322.452 4.952 30 20 DJED Fc1ccc(NN=Cc2ccc(-c3cccs3)cc2F)nc1 731321448 IPHOJWZBCKIUFK-UHFFFAOYSA-N 315.348 4.534 30 20 DJED CCCCCCCCC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C 735642323 XRVWSGSNRKVZQZ-FUHWJXTLSA-N 311.510 4.695 30 20 DJED CO[C@@H](C/N=C/c1cc(Cl)ccc1O)c1ccc(Cl)cc1 741758975 VGYRSMXQBSVLHJ-ARFNDINWSA-N 324.207 4.506 30 20 DJED N#Cc1ccsc1C(=O)Oc1ccc(Oc2ccccc2)cc1 748053799 XTTKEVNWDUGQMR-UHFFFAOYSA-N 321.357 4.631 30 20 DJED CCOc1cc(/C=C/C(=O)c2occc2C)cc(Cl)c1OC 769784009 MQDQXNYNIJMEIC-AATRIKPKSA-N 320.772 4.545 30 20 DJED C=C(Cl)CN[C@@H](C)c1ccc(-c2ccccc2OC)cc1 773005496 RGHMDZRSZPSYMJ-AWEZNQCLSA-N 301.817 4.765 30 20 DJED O=C(/C=C/c1ccc(Br)cc1)c1cccc(F)c1F 776268016 JJZDNNBLLZERFO-RMKNXTFCSA-N 323.136 4.623 30 20 DJED COC1(C=NOCc2ccc(C(F)(F)F)cc2)CCCCC1 790172922 YZWRQSLZAOKARD-UHFFFAOYSA-N 315.335 4.557 30 20 DJED CCCCCCC[C@@H](C)CNC(=O)C(C)(C)c1c(C)noc1C 797436976 FJJLSMMWUFYZLP-CQSZACIVSA-N 322.493 4.682 30 20 DJED Cc1cccc(NC(=S)N(C)[C@H](C)c2cccc(C#N)c2)c1C 819028750 PTZCAVMANQFTKT-OAHLLOKOSA-N 323.465 4.565 30 20 DJED CSc1ccc(/C=C/C(=O)c2ccccc2OC(F)F)cc1 916140178 DVIGBCPVYSAXJR-DHZHZOJOSA-N 320.360 4.906 30 20 DJED CC(=NNc1cccc(C(=O)O)c1)c1ccc(Cl)cc1Cl 916255388 XMVZKNNMNRGDBE-UHFFFAOYSA-N 323.179 4.528 30 20 DJED CC(=NNc1ccccc1Cl)c1ccccc1OC(F)F 916262571 HXDVRLZQHDUYLX-UHFFFAOYSA-N 310.731 4.778 30 20 DJED N#Cc1cccc(C#N)c1NCC1(c2cccs2)CCCCC1 1162584865 QJPWFUXKSGCOQC-UHFFFAOYSA-N 321.449 4.805 30 20 DJED CC(C)C[C@]1(C)CCCN1Cc1cc(Cl)ccc1OCC#N 1170478392 BQSPVVDGYARWEN-SFHVURJKSA-N 320.864 4.643 30 20 DJED Cc1cc(NC2CC(C#N)(c3ccccc3)C2)cc(C)c1Cl 1181154187 MLNKJZLTBPMSEN-UHFFFAOYSA-N 310.828 4.993 30 20 DJED Cc1c(Cl)cnc(N[C@H]2CCCc3ccc(F)cc32)c1C#N 1186367674 HLKFTKLTMSVVHD-INIZCTEOSA-N 315.779 4.544 30 20 DJED Cc1nc(NCc2cc(C3CC3)ccc2F)c(Cl)cc1C#N 1186565409 QFAYMJJCLJFDKB-UHFFFAOYSA-N 315.779 4.544 30 20 DJED CCC(CC)[C@@H](NCc1cccc(C#N)c1F)c1ccccc1 1307621773 UOTCOIDQDGLWOX-HXUWFJFHSA-N 310.416 4.964 30 20 DJED COc1cccc([C@@H](C)SCc2cccc(C#N)c2F)c1 1458993734 HXDHJZYBQBQQDM-GFCCVEGCSA-N 301.386 4.700 30 20 DJED C[C@]1(c2ccccc2)CCCN(Cc2ccc(C#N)cc2Cl)C1 1459468573 RQCGJCRSJGQGIP-FQEVSTJZSA-N 324.855 4.765 30 20 DJED COc1ccc(CN(Cc2ccc(C#N)cc2C)C(C)(C)C)cc1 1460200182 ZCHVOZDRCBJMCZ-UHFFFAOYSA-N 322.452 4.676 30 20 DJED CCCCN(Cc1cc(C#N)ccc1OC)[C@@H]1CCC[C@@H](C)C1 1473510176 NXUZGGDPGBOPAP-VQIMIIECSA-N 314.473 4.748 30 20 DJED Cc1c(Cl)cc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1Cl 1527142809 NEDHOKIZSUERIW-MRXNPFEDSA-N 323.223 4.714 30 20 DJED Cc1ccc(C#N)cc1C(=O)O[C@H](C)c1oc2ccccc2c1C 1538516992 OPFFSSHQRUSMIB-CQSZACIVSA-N 319.360 4.839 30 20 DJED N#Cc1cnc(N2CCC[C@H]2CCC2CCCCC2)c(Cl)c1 1559139254 QTQWMAQTXFDKTN-INIZCTEOSA-N 317.864 4.936 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)[C@H](C)CC1CCCC1 1586416151 IHKVFSDNCPNNHR-CQSZACIVSA-N 313.445 4.535 30 20 DJED CC[C@H](C)c1ccc([C@@H](NC(=O)[C@@H](C#N)CC)C(C)C)cc1 1629402277 ZVSKLVJTTFTPJR-DAYGRLMNSA-N 300.446 4.563 30 20 DJED N#Cc1ccc(Sc2nc(Cl)cs2)cc1C(F)(F)F 1650909186 PQKAKWLGBYGQEN-UHFFFAOYSA-N 320.748 4.838 30 20 DJED CC[C@@H](C)Oc1ccc(Nc2nc(C#N)c(Cl)s2)cc1 1651424569 HYCAYFOVQJNKHA-SECBINFHSA-N 307.806 4.589 30 20 DJED Cc1cccc([C@@H]2CCN(Cc3ccc(Cl)cc3C#N)C2)c1 1653266739 BEVXZNOGDXDSCV-QGZVFWFLSA-N 310.828 4.510 30 20 DJED CCC(CC)[C@@H](NCc1ccc(C#N)cc1F)c1ccccc1 1655384682 RGJTXGLHKRBOJD-HXUWFJFHSA-N 310.416 4.964 30 20 DJED CCCc1c(NCCC(C)(C)C)cnn1-c1cccc(C#N)c1 1659506180 OFCPFHVJXMKLFQ-UHFFFAOYSA-N 310.445 4.545 30 20 DJED CCCCCC1=C(C)CCC1=NNc1ccc(C(=O)O)c(F)c1 1776073085 BSZWFHLFWLZUJR-UHFFFAOYSA-N 318.392 4.982 30 20 DJED Cc1ccc(C)c(C(=O)/C=C/c2cc(C(=O)O)c(C)cc2C)c1 1776133000 LNAXFNJXDZYINW-BQYQJAHWSA-N 308.377 4.515 30 20 DJED CC(C)c1ccc2c(c1)/C(=N/Nc1cc(F)cc(F)c1)C(O)=N2 63387530 ROQLRKVJXGERFZ-UHFFFAOYSA-N 315.323 4.506 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1c(F)cccc1Cl 63469722 BYGCHHBQWKGKIZ-UHFFFAOYSA-N 318.779 4.750 30 20 DJED C=C(Br)CN[C@H](C)c1sc2ccccc2c1C 161380910 MECNSRFHQPPIKO-LLVKDONJSA-N 310.260 4.769 30 20 DJED C[C@@H]1C[C@@H]1[C@H](NCc1cc(C#N)cs1)c1ccc(Cl)cc1 177706648 FUJOMOZHSXSLAK-ZTFRIQLXSA-N 316.857 4.760 30 20 DJED COc1cc(C(=O)/C=C\c2sccc2C)ccc1OC(F)F 210060963 WDNLASQZHXNWCT-XQRVVYSFSA-N 324.348 4.563 30 20 DJED C=CCC[C@H](NC[C@@H]1CCO[C@H]1c1ccccc1)c1ccco1 287477535 MSCFDPGPGGKMMC-BJLQDIEVSA-N 311.425 4.654 30 20 DJED Cc1ccc(C(C)(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 303141435 CYQLQCWDPSVSHY-UHFFFAOYSA-N 320.436 4.713 30 20 DJED Cc1cc([C@H](C)Nc2ccc(C#N)cc2C(F)(F)F)c(C)o1 315399481 GHUMTSKGJUDJEM-JTQLQIEISA-N 308.303 4.960 30 20 DJED N=C(O)C1CCC(/N=C(/O)CC2CC(c3ccccc3)C2)CC1 328670167 MMCPWMYIDCKKEI-UHFFFAOYSA-N 314.429 4.621 30 20 DJED Cc1csc([C@@H](C#N)C(=O)c2coc3ccc(C(C)C)cc23)n1 347517438 LQWUNIGKLZUTMQ-AWEZNQCLSA-N 324.405 4.811 30 20 DJED C=CCCc1ccccc1NC(=O)C/C=C/c1ccccc1F 410362816 YSOABNRBZHIVKM-XYOKQWHBSA-N 309.384 4.986 30 20 DJED FC(F)(F)c1ccc(C#CCN2CC[C@@H]2c2ccccc2)cc1 427007414 HXPVMFTWVBRPME-GOSISDBHSA-N 315.338 4.504 30 20 DJED C=CCC[C@@H](C)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 427850785 JGHRCRVMVQTGJU-ZIAGYGMSSA-N 309.837 4.522 30 20 DJED CC1=C(C(=O)Nc2ccccc2S[C@H](C)CC#N)CCC1 437353961 FZNCTJVIPANTFY-CYBMUJFWSA-N 300.427 4.520 30 20 DJED C=CCCO[C@@H](C)c1nc(C(C)(C)c2ccccc2Cl)no1 445684654 OSXPZFJUBHKDRP-LBPRGKRZSA-N 320.820 4.703 30 20 DJED CC[C@H](CC#N)N[C@H](CCc1ccccc1)Cc1ccccc1 462065295 MBCKJBWKJROXGZ-NHCUHLMSSA-N 306.453 4.512 30 20 DJED C=CCCN(C)C(=O)c1c(F)cccc1Sc1ccccc1 468182731 JYWLQQOHXNWGGV-UHFFFAOYSA-N 315.413 4.625 30 20 DJED CCC(C#N)(CC)C(=O)N[C@H](C)c1cccc(Cl)c1Cl 528605394 GQUXLIRWPXQBRJ-SNVBAGLBSA-N 313.228 4.501 30 20 DJED N#Cc1ccc(CNc2nc3cc(Cl)ccc3s2)c(F)c1 537506169 JLJSQVSFDXIUDB-UHFFFAOYSA-N 317.776 4.573 30 20 DJED N#Cc1cccc(C2(NCc3c(Cl)cccc3Cl)CC2)c1 551410866 HFVUGHOHQLTZJF-UHFFFAOYSA-N 317.219 4.644 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(-c2ccncc2)c(C)c1 557464540 PHYAEJPPUYYUNV-UHFFFAOYSA-N 306.409 4.764 30 20 DJED CC(C)(NCc1cc(C#N)cs1)c1cccc(C(F)(F)F)c1 561475959 GJLDFFQZLKUIGO-UHFFFAOYSA-N 324.371 4.663 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cccc2cc[nH]c12 569411125 WOCYUJKZRSTDCA-UHFFFAOYSA-N 322.456 4.524 30 20 DJED CC(C)(C#N)CCCNc1ccc(Cl)cc1OCC(F)F 583465573 QQIOCAYIUBIJQB-UHFFFAOYSA-N 316.779 4.726 30 20 DJED Cc1ccc(Cl)c2sc(NC(=O)CCCCCC#N)nc12 588774909 UYHFREDMMMFVAG-UHFFFAOYSA-N 321.833 4.671 30 20 DJED Cc1cccc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c1C 592973318 CUSQWWOSVOYNBX-CQSZACIVSA-N 324.380 4.542 30 20 DJED CC(C)CCOc1ccc(NC(=O)CCCCCC#N)cc1F 594172493 BQPNJIQSFWXBIA-UHFFFAOYSA-N 320.408 4.663 30 20 DJED CCN(C(=O)CC1(C#N)CCCCC1)c1ccccc1Cl 598805400 JAMMMKYLTJUDFH-UHFFFAOYSA-N 304.821 4.557 30 20 DJED C[C@H](CCC#N)CNc1cccc(CSc2ccccn2)c1 602490477 KGUNHHOQRFCKIZ-OAHLLOKOSA-N 311.454 4.726 30 20 DJED N#Cc1ccc(/C=C/c2csc(-c3ccc(Cl)cc3)n2)nc1 603894449 VIHFDHVDDGROKX-BQYQJAHWSA-N 323.808 4.901 30 20 DJED C[C@@H](C=NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1 726425990 NGQPWBKEZAXAEN-LBPRGKRZSA-N 317.314 4.778 30 20 DJED C=CCN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C(C)C 727787710 JPLUSUFKFXFGEV-OLZOCXBDSA-N 312.240 4.520 30 20 DJED Cc1cc(C(=O)/C=C/c2nccc3ccccc23)cc(C)c1F 741467027 JLRDOEHTTFOKJR-BQYQJAHWSA-N 305.352 4.887 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(Cl)s2)cc1Cl 741469129 NMSLFZBADOCJJW-RQOWECAXSA-N 313.205 4.960 30 20 DJED Cc1ccc(C(=O)/C=C\c2cc(C)c(C)cc2OC(F)F)o1 742432267 UYCCAILMHLBDSX-WAYWQWQTSA-N 306.308 4.702 30 20 DJED CC(=NNc1ncc(Cl)cc1Cl)[C@@H](C)c1ccccc1 746371589 XXUNGZWVUUDZEF-SNVBAGLBSA-N 308.212 4.980 30 20 DJED C[C@H](/N=C/c1ccccc1O)c1ccc(-c2ccncc2)cc1 746394971 UKWZVMZQNQNXHE-WXUSHSQQSA-N 302.377 4.634 30 20 DJED Cc1ccc(C)c(C(=O)/C=C\c2coc(-c3ccccc3)n2)c1 749887867 ZIZPTBPUWQOHTA-KHPPLWFESA-N 303.361 4.855 30 20 DJED CC(C)[C@H](C#N)OC(=O)c1ccc(-c2ccc(Cl)cc2)s1 750648512 QUOYVRNDQJPPCI-ZDUSSCGKSA-N 319.813 4.773 30 20 DJED CCCn1nc(C)c(/C=C\C(=O)c2ccc(Cl)s2)c1C 759654203 WTCRTKCAQVMIDI-WAYWQWQTSA-N 308.834 4.521 30 20 DJED Cc1cc(NC(=O)C2(C#N)CCCC2)ccc1-c1ccccc1 762511027 HGQOPSGTOYRJEB-UHFFFAOYSA-N 304.393 4.685 30 20 DJED O=C(/C=C/c1csc(-c2ccc(Cl)cc2)n1)c1ccco1 769770810 JQKPNSBKHQWWBB-BQYQJAHWSA-N 315.781 4.953 30 20 DJED C#CCCCCC(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 773427973 UPVMUZVGMWCZJM-KBZZJAQTSA-N 309.453 4.665 30 20 DJED CC1(C)CC[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)C1 781770083 KCOFRBFXTBWXAS-LSDHHAIUSA-N 324.449 4.813 30 20 DJED FC(F)(F)c1ccccc1ON=Cc1sccc1Cl 782252460 AFFSHYLUYWTGEE-UHFFFAOYSA-N 305.708 4.833 30 20 DJED Cc1cc(/C=C2/Cc3ccc(F)cc3C2=O)cc2cccnc12 783711497 ZDEMEPZGBWMHNL-SXGWCWSVSA-N 303.336 4.505 30 20 DJED Cc1cc(F)ccc1-c1ccc(/C=C\C(=O)c2cncs2)o1 787171939 RCHARFFYEWEXNT-UTCJRWHESA-N 313.353 4.747 30 20 DJED C=CCCCCC[C@@H](C)N[C@H]1CCN(C(C)=O)c2ccccc21 793549757 QCRLHUHKMMMWMF-APWZRJJASA-N 314.473 4.599 30 20 DJED CC(C)c1c(Cl)ncnc1NN=C1CCC[C@H](C2CC2)C1 797404021 FDTIVOJVAUFEKJ-LBPRGKRZSA-N 306.841 4.622 30 20 DJED CC(C)[C@@H](Nc1nc(Cl)c(C#N)s1)c1ccc(F)cc1 804333293 XRMWQLMWCJTUEF-GFCCVEGCSA-N 309.797 4.616 30 20 DJED C#C[C@@H](NC(=O)Nc1c(C)cccc1C(C)C)c1ccccc1 831062573 MZHCMQZYFYQTFV-GOSISDBHSA-N 306.409 4.614 30 20 DJED Cc1cccc2c1[C@H](Nc1cccc(OCCCC#N)c1)CC2 863985063 VVXHKNTXRUUJLE-LJQANCHMSA-N 306.409 4.777 30 20 DJED CC[C@H](N[C@@H](c1ncccc1C)C(C)C)c1cccc(C#N)c1 902805642 DNHTTXZHZVJZCK-RBUKOAKNSA-N 307.441 4.700 30 20 DJED Fc1ccccc1C=NOCc1cc(Cl)cc2cccnc12 914786205 XILZJYHLTPEBKN-UHFFFAOYSA-N 314.747 4.578 30 20 DJED O=C(/C=C\c1ccc(Br)s1)c1cccc(F)c1 916134085 AHMHOGYNSVKWIJ-XQRVVYSFSA-N 311.175 4.546 30 20 DJED N#CC1(C(=O)Nc2ccc(-c3ccccc3)cc2F)CCCCC1 920025548 USSVLZHIFXEOIJ-UHFFFAOYSA-N 322.383 4.905 30 20 DJED COc1cccc2cc(C(C)=NNc3cc(F)cc(F)c3)oc12 920374918 NGMIXTDHHXGXFS-UHFFFAOYSA-N 316.307 4.556 30 20 DJED CC(C)c1nnc(-c2ccccc2Oc2ccccc2C#N)o1 1117176396 QCZGYYWVRPHWBX-UHFFFAOYSA-N 305.337 4.524 30 20 DJED N#Cc1cc(CN2CCC[C@H]2CCC2CCCC2)ccc1F 1307583731 URYWCODONVKLIK-SFHVURJKSA-N 300.421 4.632 30 20 DJED N#Cc1ccc(CSCc2ccc3ncccc3c2)c(F)c1 1320626510 TZQGOYGSZXSOJL-UHFFFAOYSA-N 308.381 4.679 30 20 DJED CC(C)(c1nnc(-c2cccc(C#N)c2)o1)c1ccccc1Cl 1345952383 PCDZFJMSWJOPBW-UHFFFAOYSA-N 323.783 4.588 30 20 DJED CCCC[C@@H](CCC)CNC(=O)Nc1ccc(C#N)c(Cl)c1 1465061056 APPMBZXEHNJFBC-CYBMUJFWSA-N 321.852 4.940 30 20 DJED Cc1nc(N(Cc2ccc3ccccc3c2)C2CC2)ccc1C#N 1472667476 AVCFPAXVFFKSPV-UHFFFAOYSA-N 313.404 4.584 30 20 DJED Cc1nsc(Sc2nc(C3CCCCC3)cs2)c1C#N 1559264471 HQURJMJXLLRGSY-UHFFFAOYSA-N 321.496 4.979 30 20 DJED CCc1ccc(C2=CCN([C@H](C#N)c3ccccc3)CC2)cc1 1559707250 MHMYDCBCEHNHRG-OAQYLSRUSA-N 302.421 4.603 30 20 DJED CC(C)(C#N)c1ccccc1CN1Cc2ccccc2C(C)(C)C1 1559714179 MIAMJWBYKBXCDE-UHFFFAOYSA-N 318.464 4.781 30 20 DJED CCC[C@H](Nc1ccc(NC(=O)OCC)c(C#N)c1)C1CCC1 1560749078 NNTPVIONRWKCTG-INIZCTEOSA-N 315.417 4.507 30 20 DJED COc1ccc(C#N)cc1NCC1CCC(C(C)(C)C)CC1 1620962444 FLAWQXIDQNLXKU-UHFFFAOYSA-N 300.446 4.831 30 20 DJED CCCc1ccc(-c2ccc(Nc3cncc(C#N)n3)cc2)cc1 1651547522 ZTOJTQIGUQIPKZ-UHFFFAOYSA-N 314.392 4.711 30 20 DJED Cc1cc(C#N)nc(N[C@H](c2ccc(F)cc2)C2CCCCC2)n1 1652129039 QIOQTDMTINAGNU-SFHVURJKSA-N 324.403 4.529 30 20 DJED COc1cc(C#N)ccc1CN(C)C1CCC(C(C)(C)C)CC1 1652362618 BIAAQXNDWNFXHG-UHFFFAOYSA-N 314.473 4.604 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCc1ccc(Cl)cc1 1653427817 PLIZLTKXMWHBHC-UXHICEINSA-N 324.855 4.654 30 20 DJED N#Cc1ccc(Oc2cccc(Nc3ncc(Cl)cn3)c2)cc1 1655114094 DGPFFOMBBIVWPT-UHFFFAOYSA-N 322.755 4.538 30 20 DJED COc1cc(C#N)ccc1CN(Cc1cccc(C)c1)CC(C)C 1657078013 WNURDZKSTQPHEL-UHFFFAOYSA-N 322.452 4.534 30 20 DJED CCC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C#N)cc1Cl 1659884437 YNZOSLGCPVBEGE-UKRRQHHQSA-N 319.836 4.692 30 20 DJED C[C@@H](CCc1c[nH]c2ccccc12)N[C@H](C)c1cccc(C#N)c1 1665650484 DXBYZWBMGNICNE-JKSUJKDBSA-N 317.436 4.711 30 20 DJED N#CC[C@H]1C[N@]1C(c1ccccc1)(c1ccccc1)c1ccccc1 1857776315 KUFZDUQIKUDLPA-DHLKQENFSA-N 324.427 4.576 30 20 DJED Cc1cc(C)c(C#N)c(N[C@H](C)c2ccc(C(F)(F)F)cc2)n1 26774931 HYSBLPCEQGVNBM-GFCCVEGCSA-N 319.330 4.762 30 20 DJED Cc1ccc(SCCC(=O)Nc2cc(C#N)ccc2C)cc1C 63961173 ROURHLKERVSHCG-UHFFFAOYSA-N 324.449 4.604 30 20 DJED CC[C@@H](C#N)Oc1cccc(CNc2ccnc3ccsc23)c1 78260186 PPZRJLJDJVEVHO-AWEZNQCLSA-N 323.421 4.589 30 20 DJED CC(C)(CCC#N)CNc1cc(F)ccc1OCC(F)(F)F 92144121 BYTZFEFVWSFANI-UHFFFAOYSA-N 318.314 4.509 30 20 DJED COc1ccccc1-c1ccc(C(=O)/C=C/c2cccnc2)cc1 125548052 NURLIGIRWYPZQF-MDWZMJQESA-N 315.372 4.653 30 20 DJED Cc1cccc([C@@H]2CCCN2C(=O)Nc2cccc(C#N)c2C)c1 178565146 GGORLWWQGWRZCI-IBGZPJMESA-N 319.408 4.544 30 20 DJED Cn1cc(CNc2ccccc2SC2CCCC2)cc1C#N 189586476 YBXAXGPQUHNILM-UHFFFAOYSA-N 311.454 4.544 30 20 DJED Cc1cccc([C@@H](C)Nc2nc(C(F)(F)F)ccc2C#N)c1C 301260403 FFBWICDORYFCJI-GFCCVEGCSA-N 319.330 4.762 30 20 DJED Cc1cccc([C@H]2CCCN2Cc2ccc(F)cc2C#N)c1C 303958509 YKTUURXHVPMPDX-HXUWFJFHSA-N 308.400 4.651 30 20 DJED CC[C@H](C)C[C@H](C)Nc1cc(Br)c(C#N)cc1F 310658127 RPXBMYYFJVRMBA-UWVGGRQHSA-N 313.214 4.696 30 20 DJED CC[C@H]1OCCC[C@H]1C(O)=Nc1scnc1-c1ccccc1 330253572 OVQASJOOLIKGER-ZIAGYGMSSA-N 316.426 4.603 30 20 DJED CC(C)c1nnc(CS[C@H](C)c2cccc(C#N)c2)s1 419465679 PJWZEJFUEXCLDP-LLVKDONJSA-N 303.456 4.528 30 20 DJED Cc1nc(S[C@@H](C)c2cccc(C#N)c2)c2ccccc2n1 442900014 OOMKFIGNGQSUIF-LBPRGKRZSA-N 305.406 4.663 30 20 DJED C=CCCCCCNc1cccc2c1CN(c1nccs1)C2 447402811 AYCHQQYZKQABBC-UHFFFAOYSA-N 313.470 4.822 30 20 DJED C=C(C)CN1CCC(N[C@H]2C[C@H](C(C)C)c3ccccc32)CC1 447531208 QGEKMJMWHRLJLL-RTWAWAEBSA-N 312.501 4.501 30 20 DJED N#C[C@H]1CC[C@H](SCCCCS[C@H]2CC[C@@H](C#N)C2)C1 450938542 ZDZCJDLQMPTEPQ-FZKCQIBNSA-N 308.516 4.618 30 20 DJED Cc1cc([C@@H](C)NCc2ccccc2C(C)(C)C#N)ccc1F 451159567 AYCUWKJDNQZWLS-OAHLLOKOSA-N 310.416 4.786 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)CC1CC(c2ccccc2)C1 466338121 QOQUEUDLAZTUHH-UHFFFAOYSA-N 312.457 4.501 30 20 DJED C=CC[C@H](CC)NC(=O)N(CCC)[C@H](C)c1ccccc1OC 466410813 WMHVTTHWBYPCGT-CVEARBPZSA-N 318.461 4.533 30 20 DJED C=CCCCCCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 469469767 AKDKAVJTPLTWEP-CHWSQXEVSA-N 311.878 4.710 30 20 DJED CCN(Cc1ccsc1Cl)[C@H](C)c1ccc(C#N)cc1 483165337 BZEVBUQVCFUNBX-GFCCVEGCSA-N 304.846 4.856 30 20 DJED Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1ccc(C#N)cc1F 484540846 HUDWLEYVPVSTLP-NSHDSACASA-N 316.357 4.767 30 20 DJED CC(C)(CCC#N)CNCC1(c2ccc(F)cc2F)CCCC1 485730081 ZECKQJRPIQYICW-UHFFFAOYSA-N 320.427 4.696 30 20 DJED C=CCC[C@H](CCC)N[C@@H](C)c1nc(C(F)(F)F)cs1 494396581 XEKYVOBXBOEPJL-QWRGUYRKSA-N 306.397 4.947 30 20 DJED C[C@@H](Nc1ccc(C#N)cn1)c1ccccc1Oc1ccccc1 506769439 YPLCZRILGDSHCZ-OAHLLOKOSA-N 315.376 4.919 30 20 DJED N#Cc1nc(N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)ccc1Cl 509465120 PTNMJDRFBVUQCN-MUJYYYPQSA-N 323.827 4.522 30 20 DJED N#Cc1ccc(N[C@H]2CCc3ccc(F)cc32)cc1C(F)(F)F 518296128 FVYCBNJJBXVBRC-INIZCTEOSA-N 320.289 4.816 30 20 DJED Cc1c(C(=O)N(CCC#N)C(C)C)oc2c1ccc1ccccc12 522590254 MHFCAIRNCWEDOZ-UHFFFAOYSA-N 320.392 4.659 30 20 DJED CC(C)N(CCC(C)(C)C#N)Cc1cccc(C(F)(F)F)c1 537382446 ALOHMUWGFGCALE-UHFFFAOYSA-N 312.379 4.856 30 20 DJED Cc1c(F)ccc(Cl)c1NC(=O)c1ccc(C#N)c(Cl)c1 562510452 VPSSMPCCLVARDP-UHFFFAOYSA-N 323.154 4.565 30 20 DJED CCC(C)(C)c1ccc(C(=O)Nc2ccccc2CC#N)cc1 573759258 PDFVWQQEQAJCEW-UHFFFAOYSA-N 306.409 4.693 30 20 DJED C=CC[C@H](C)[C@H](C)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 573843636 VKKLSQATMBQNHZ-RWMBFGLXSA-N 319.836 4.641 30 20 DJED Cc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)ccc1Cl 579288594 GQPJJGKPYAZIOX-IBGZPJMESA-N 310.828 4.687 30 20 DJED Cn1c(-c2ccccc2)c(C=NNC2CCCC2)c2ccccc21 727652076 IGGORLHUFRSZGV-UHFFFAOYSA-N 317.436 4.711 30 20 DJED C=CC[C@H](NC(=O)C[C@@H](C)c1ccc(CC)cc1)c1ccncc1 737855513 VWVOWWIFJIVGNN-UZLBHIALSA-N 322.452 4.571 30 20 DJED CC(CCc1ccccc1[N+](=O)[O-])=NNc1cccc(Cl)c1 741451392 GWQZAVKJMOJQAP-UHFFFAOYSA-N 317.776 4.669 30 20 DJED CC(=NNc1ncccc1Cl)c1cccc(-c2ccncc2)c1 741461581 LHHKAUYYTYBRCG-UHFFFAOYSA-N 322.799 4.633 30 20 DJED COc1cccc(C(=O)/C=C\c2cccc(-c3ccccn3)c2)c1 747699701 VOUTZUCOBKYIGV-QXMHVHEDSA-N 315.372 4.653 30 20 DJED C[C@H](OC(=O)CC(c1ccccc1)c1ccccc1)C(C)(C)C#N 753613404 LIFGTYZWNQPRLY-INIZCTEOSA-N 321.420 4.690 30 20 DJED CCCCCCC[S@@](=O)Cc1cccc(C(F)(F)F)c1 764437868 KZXTWSIXLOJIOD-HXUWFJFHSA-N 306.393 4.925 30 20 DJED C(=NNCc1cnc2ccccc2c1)c1csc2ccccc12 764776262 UOHQREUNZJHBKX-UHFFFAOYSA-N 317.417 4.573 30 20 DJED O=C(/C=C/c1sccc1Br)c1ccc(F)cc1 764915126 LQCNEKCMKLUDQX-AATRIKPKSA-N 311.175 4.546 30 20 DJED COc1ccc([C@H](CCC(C)C)NCc2ccc(C#N)cc2)cc1 765012828 PLHUTCFDZSNUBS-NRFANRHFSA-N 322.452 4.834 30 20 DJED Cc1cc(SC(C)(C)C)ccc1NC(=O)c1ccc(C#N)o1 794272254 RWGLQQARLISLAD-UHFFFAOYSA-N 314.410 4.603 30 20 DJED C=CCOc1ccccc1CN[C@H](CC)c1ccc(C)cc1O 794806381 ICKUUDYGVIHKBX-GOSISDBHSA-N 311.425 4.506 30 20 DJED Fc1cccnc1NN=Cc1c(Cl)ccc(Cl)c1Cl 794982764 AVTWFHSWJOQVMP-UHFFFAOYSA-N 318.566 4.627 30 20 DJED C=CCC[C@@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccco1 796880532 FJJBWUVVIUDANS-QZTJIDSGSA-N 313.397 4.567 30 20 DJED CC(C)(C)c1cnc([C@@H](C#N)C(=O)CC2=CCCCC2)s1 797571023 KXNSBFLFTGJVGB-ZDUSSCGKSA-N 302.443 4.507 30 20 DJED C=CCCC[C@H](NCc1ccccc1-c1ccccc1C)C(=O)O 900068428 HYBAQVYYYRQJIN-FQEVSTJZSA-N 323.436 4.561 30 20 DJED Cc1cc(/C=C/C(=O)c2cccc(O)c2)cc(C)c1OC(F)F 916155671 RPYKCRMAOLVIGD-VOTSOKGWSA-N 318.319 4.507 30 20 DJED N#C[C@H]1CCC[C@H](OC(=O)c2ccc(Oc3ccccc3)cc2)C1 1129725632 ZEJSRGVJGCVRJM-KXBFYZLASA-N 321.376 4.718 30 20 DJED Cc1ccc(C#N)c(Oc2ccc(OC3CCCCC3)cc2)n1 1162442582 KUMVWBRLMXLGDW-UHFFFAOYSA-N 308.381 4.766 30 20 DJED CCCc1c(N[C@H]2CCC[C@H](C#N)C2)cnn1-c1cccc(C)c1 1181337799 TXRPJTGDDVSYHI-IRXDYDNUSA-N 322.456 4.628 30 20 DJED N#Cc1ccc(-c2nnc(-c3cccc(-c4ccoc4)c3)o2)cc1 1345866184 CBOYXIHTXMTPAA-UHFFFAOYSA-N 313.316 4.535 30 20 DJED CC(C)[C@H]1CC[C@H](C(=O)N(c2cccc(C#N)c2)C2CCC2)CC1 1532044762 JFHZCINREVPTSK-IYARVYRRSA-N 324.468 4.906 30 20 DJED CC[C@H](OC(=O)c1cc(C#N)oc1C)c1cccc(Cl)c1F 1538949839 MGCAFCTYCFGUMB-AWEZNQCLSA-N 321.735 4.560 30 20 DJED CC(C)(C)c1ccc(C#N)c(OCc2ccc(F)c(Cl)c2)n1 1614548441 RVEJOKMDWFAGHV-UHFFFAOYSA-N 318.779 4.622 30 20 DJED CC1(C)CN(c2snc(Cl)c2C#N)c2cccc(Cl)c21 1639544196 VVWXPPXDENZIEV-UHFFFAOYSA-N 324.236 4.751 30 20 DJED CC1(C)CCN(Cc2ccc(Cl)cc2C#N)c2ccccc21 1643274145 JGIFXZPYHFJGKU-UHFFFAOYSA-N 310.828 4.900 30 20 DJED Cc1cc(S[C@H](C(=O)C2CC2)c2ccccc2)ccc1C#N 1644029505 MUDBBMZQLNTQCW-IBGZPJMESA-N 307.418 4.679 30 20 DJED COc1ccc2ncc(C#N)c(OCCC3CCCCCC3)c2c1 1644051691 ITJVTNLDFKXYQT-UHFFFAOYSA-N 324.424 4.854 30 20 DJED CCOc1ccc(C#N)cc1NC1CC(c2ccccc2C)C1 1652158298 BSIIMQHLNQDJCI-UHFFFAOYSA-N 306.409 4.624 30 20 DJED Cc1cc(SCc2ccc(C(F)(F)F)cn2)ccc1C#N 1652913068 ZWMOFIFSUVAVRE-UHFFFAOYSA-N 308.328 4.573 30 20 DJED Cc1nc(N[C@@H](Cc2ccccc2)c2ccccc2)ccc1C#N 1654950766 OMLNIDUIFVUQOU-FQEVSTJZSA-N 313.404 4.658 30 20 DJED CCCN(CCc1cccc(F)c1)[C@@H](C)c1ccc(C#N)cc1 1657293117 KAWHFXIKMNFSSD-INIZCTEOSA-N 310.416 4.713 30 20 DJED C[C@@H](C(=O)Nc1ccc(CC#N)cc1)c1ccc2ccccc2c1 84521190 VTWPQAQZICSXEJ-OAHLLOKOSA-N 314.388 4.648 30 20 DJED Cc1csc(-c2cccc(NCc3ccc(C#N)cc3F)c2)n1 102395602 PCARJXMRYYLRIY-UHFFFAOYSA-N 323.396 4.741 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)s1 134513639 VLHHEMNILIITOA-XVNBXDOJSA-N 307.296 4.535 30 20 DJED CCCCC[C@@H](CC)C(=O)Nc1ccccc1O[C@@H](C)C#N 182076258 QWSOUAFYXDJDQZ-LSDHHAIUSA-N 302.418 4.522 30 20 DJED CC(C)(C#N)CCCN[C@@H](Cc1ccccc1)c1cccs1 184968748 MEBZGWPIRBWPKX-KRWDZBQOSA-N 312.482 4.951 30 20 DJED Cc1cc(C(=O)/C=C\c2ccccc2OC(F)F)c(C)s1 210383539 DHANTQUJIPABFN-FPLPWBNLSA-N 308.349 4.862 30 20 DJED C=CCOc1ccc(CN[C@H](CC)c2ccc(F)cc2F)cc1 237014593 MFGJRAOOERVMNK-LJQANCHMSA-N 317.379 4.771 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1(C)CCCC1 264520207 CGYBKJLDLVPOMC-CYBMUJFWSA-N 317.458 4.535 30 20 DJED C=CCC[C@H](N[C@H]1CCOc2c(F)cccc21)c1ccco1 287421670 KCUFVAGSSGZJCB-HOTGVXAUSA-N 301.361 4.539 30 20 DJED COc1cc(N=C(O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)ccc1O 328618003 USHOSQQCXUJRJD-HZSPNIEDSA-N 303.402 4.595 30 20 DJED Cc1ccc2cccc(N=C(O)c3coc(C4CCCC4)n3)c2n1 328822299 RMMZFGSVEQRWSM-UHFFFAOYSA-N 321.380 4.825 30 20 DJED Cc1ccc(CN(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)o1 425367288 SENJALPLPIGDPU-GFCCVEGCSA-N 322.330 4.521 30 20 DJED C=CC[C@@H](C(=O)N(C)c1ccc(Cl)cc1F)c1ccccc1 439180906 CQMUOOYVDRUJIZ-OAHLLOKOSA-N 317.791 4.802 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1ccc(C#N)c(C)c1 443967607 OQBIVWCKVKLKFC-GOSISDBHSA-N 308.425 4.571 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1c(C)cccc1OC 446286576 DESLFXDMKYSACZ-UHFFFAOYSA-N 316.445 4.604 30 20 DJED C=CC(C)(C)C(=O)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 449945555 QFCCZPQAABVGCO-HNNXBMFYSA-N 323.436 4.752 30 20 DJED CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1cccc(CC#N)c1 455922349 QIJHQBRQIDWAMK-MRXNPFEDSA-N 321.424 4.585 30 20 DJED C=CCN(Cc1ccc(C(F)F)cc1)Cc1cccc(C#N)c1 461397754 HUYQCOARMKNJTR-UHFFFAOYSA-N 312.363 4.684 30 20 DJED C[C@H](C(=O)Nc1ccccc1C(C)(C)C)c1cccc(C#N)c1 463069966 YJHXWIBVEZMFOL-AWEZNQCLSA-N 306.409 4.598 30 20 DJED CCN(C(=O)c1csc2cc(C)ccc12)c1ccc(C#N)cc1 483645786 LCPVESDMJAIMBU-UHFFFAOYSA-N 320.417 4.748 30 20 DJED C[C@@H](c1ccccc1)N(C(=O)c1ccc(C#N)cc1)C1CCCC1 485471982 UXDZKSOETVOZEQ-INIZCTEOSA-N 318.420 4.704 30 20 DJED CCC[C@H](C)CC(=O)N(Cc1ccco1)c1ccccc1C#N 499377646 MPXKODRYIBWKRY-HNNXBMFYSA-N 310.397 4.511 30 20 DJED CC(C)c1ccc(C(=O)Nc2ccccc2CC#N)cc1Cl 521101880 YAYWWJQCCBBGJF-UHFFFAOYSA-N 312.800 4.782 30 20 DJED N#Cc1csc(CN[C@@H](c2ccccc2)c2ccc(F)cc2)c1 531356131 KLIUBDKTOSBRKC-IBGZPJMESA-N 322.408 4.638 30 20 DJED C=C[C@H](CC(=O)N(CC)c1ccc(F)c(F)c1)c1ccccc1 534757515 GSLXTVCUNSOVMZ-CQSZACIVSA-N 315.363 4.678 30 20 DJED C=C[C@H](CC(=O)Nc1ccc(-c2ccc[nH]2)cc1)c1ccccc1 539322186 JUWDATKFWMFBOO-MRXNPFEDSA-N 316.404 4.980 30 20 DJED C=CCN(C(=O)N[C@@H](c1cccs1)C(CC)CC)C1CC1 540112166 IIFDNTGEJPIVOK-MRXNPFEDSA-N 306.475 4.585 30 20 DJED CCN(Cc1sccc1Cl)[C@@H](C)c1ccc(C#N)cc1 555015161 UEFHVYURUGGRHM-LBPRGKRZSA-N 304.846 4.856 30 20 DJED C[C@H](N[C@]1(C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1Cl 556219499 AKYDNWQELCTRIW-SOVGHPHASA-N 310.828 4.808 30 20 DJED Cc1csc(NC(=O)C[C@H](C)c2c[nH]c3ccccc23)c1C#N 571717764 CDUKEQFFWVDGOT-NSHDSACASA-N 323.421 4.542 30 20 DJED C=CCCCCCN(C)C(=O)c1cc2ccc(F)cc2nc1C 606816060 LUZIKGMASMTXCG-UHFFFAOYSA-N 314.404 4.501 30 20 DJED C=C(C)CN(Cc1ccc2[nH]ccc2c1)Cc1cnn(C(C)C)c1 628273074 HQTLDFZLKDGCHW-UHFFFAOYSA-N 322.456 4.524 30 20 DJED C#Cc1cccc(N(Cc2cccs2)C(=O)C[C@H](C)C2CC2)c1 728182108 VTJFMQKIYUYGRI-HNNXBMFYSA-N 323.461 4.699 30 20 DJED CC(C)CC(CC(C)C)NCc1ccc(N(C)CCC#N)cc1 728782489 RLTNKHAFAJQTQY-UHFFFAOYSA-N 315.505 4.587 30 20 DJED CC(=NNc1ccc(C(F)(F)F)cn1)c1cc(C)cc(C)c1 730430867 SSTUUZFXYNVCKO-UHFFFAOYSA-N 307.319 4.553 30 20 DJED O=C(/C=C\c1cc(C(F)(F)F)ccc1F)c1ccsc1 733206210 CXSNJRAKEHMGKF-RJRFIUFISA-N 300.276 4.802 30 20 DJED C[C@H](/N=C\c1cc(Cl)ccc1O)c1nc2ccccc2s1 734097117 YVDPKQNNODZBCU-OAOMGELKSA-N 316.813 4.835 30 20 DJED C=C(Cl)CNC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F 736245229 LPOWAQVFBASCCG-UHFFFAOYSA-N 324.182 4.628 30 20 DJED CCCCCCCC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 736529051 XRWINVSXUNPFEB-KRWDZBQOSA-N 305.437 4.577 30 20 DJED CC(=NNc1cccc(C(F)(F)F)n1)c1cc(C)cc(C)c1 739422262 UHRQQLJTSBTKIQ-UHFFFAOYSA-N 307.319 4.553 30 20 DJED Cc1cccc(/C=C/C(=O)c2c(Cl)nc3sccn23)c1C 741845455 WRXZUHUWBXSCOR-VOTSOKGWSA-N 316.813 4.562 30 20 DJED CSc1ccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)cc1F 741846303 CPJBXVOHBLZKDY-GORDUTHDSA-N 322.788 4.803 30 20 DJED CCc1c(C(=O)/C=C/c2scnc2C)oc2ccc(C)cc12 742432656 ZDYUSKKNOSMYFB-SOFGYWHQSA-N 311.406 4.965 30 20 DJED C/C(=C/C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1)C(C)(C)C 742657103 LQOKHZSHUZSAEC-BHEFUSTPSA-N 312.457 4.657 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)C[C@@H]2CCc3ccccc32)n1 747194128 UDWRLUKGOGAOEP-GOEBONIOSA-N 324.449 4.563 30 20 DJED C[C@H](OC(=O)CCc1cc(Cl)cs1)c1ccc(C#N)cc1 748679784 LFJMBBIUYCNDEG-NSHDSACASA-N 319.813 4.510 30 20 DJED CCC(=NNc1oc(C(C)(C)C)nc1C#N)C1CCCCC1 750936717 HUXVPFJIJWACGU-UHFFFAOYSA-N 302.422 4.602 30 20 DJED CCOc1cccc(C(=O)/C=C/c2ccc(Cl)nc2Cl)c1 761479321 ZMTUAFSDXGXZEB-SOFGYWHQSA-N 322.191 4.683 30 20 DJED O=C1/C(=C/c2ccc(O)c(Cl)c2)Cc2ccc(Cl)cc21 762446652 KNPNFUSADHKHCS-VZUCSPMQSA-N 305.160 4.521 30 20 DJED Fc1ccc(C=NNc2nccc3sccc23)c(Cl)c1 767777085 ROTRVTDKMKLUPP-UHFFFAOYSA-N 305.765 4.535 30 20 DJED C[C@@H](C#N)COC(=O)c1sc2cccc(Cl)c2c1Cl 770949580 LBCXZVUDNFUDSI-ZETCQYMHSA-N 314.193 4.525 30 20 DJED C[C@@H]1CC/C(=C/C(=O)Nc2cc(C(C)(C)C)sc2C#N)C1 774162424 ITZDPXSXDHNRHB-HQQGHWSLSA-N 302.443 4.602 30 20 DJED C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 775780732 OYPRTZCLCSCLND-SUMWQHHRSA-N 322.399 4.556 30 20 DJED COc1cc(NN=C(C)c2csc(C(C)C)n2)ccc1Cl 788468558 WNCXKNMVUVNORL-UHFFFAOYSA-N 323.849 4.765 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc(SC)s2)c(F)c1 798232305 QWEUZSUAEICWLQ-DAXSKMNVSA-N 308.399 4.514 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2cccc(C3CCC3)c2)cc1 798936970 MTORVKFQCPMOST-UHFFFAOYSA-N 318.420 4.823 30 20 DJED Clc1cc(Cl)c(NN=C2CC[C@@H]2C2CC2)nc1Cl 814740850 ARMCBWBDGDREDR-SSDOTTSWSA-N 304.608 4.630 30 20 DJED N#Cc1ccccc1-c1ccc(COC(=O)[C@H]2CC=CCC2)cc1 818025323 IDLMNECVNGXUCD-SFHVURJKSA-N 317.388 4.625 30 20 DJED CCCCCCCCC(=O)N1CC2(CCC2)[C@@H]1C1CCOCC1 819757483 YLLDYFPHAHXZKS-IBGZPJMESA-N 321.505 4.545 30 20 DJED C[C@@H]1CCCC[C@@H]1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 819947027 SGRWUGBTQQKELZ-VNQPRFMTSA-N 324.449 4.813 30 20 DJED C=CC(C)(C)CC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 879120509 IIQLYHFLEQWQBO-SFHVURJKSA-N 310.441 4.824 30 20 DJED CC[C@H](N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1cccc(C#N)c1 902778813 IQCWFXFNQJTZTL-ACRUOGEOSA-N 320.436 4.519 30 20 DJED CCCCCCCCC(=O)Nc1cccc(NC(=O)C2CC2)c1 912924837 STQIJIPJIAADFW-UHFFFAOYSA-N 316.445 4.724 30 20 DJED CCCCCCCCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1F 918397856 OOYZCGGJBAARDC-UHFFFAOYSA-N 324.396 4.557 30 20 DJED CC(C)N(CC[C@H]1CCc2ccccc21)Cc1ccc(C#N)cc1 1167248046 IIEKIBHDAROPRW-OAQYLSRUSA-N 318.464 4.889 30 20 DJED CC[C@H](NCc1cccc(C(F)F)c1)c1ccc(C#N)cc1 1256035327 MGYVPVREAOMOPO-KRWDZBQOSA-N 300.352 4.737 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)N1CCCc2cc(C#N)ccc21 1273621078 SSGQMPGCAMQUEE-GOSISDBHSA-N 324.468 4.834 30 20 DJED Cc1ccccc1C1CCN([C@H](C)c2cccc(C#N)c2)CC1 1307670121 ORINLFSIPINUEN-QGZVFWFLSA-N 304.437 4.807 30 20 DJED N#Cc1ccccc1NC(=O)c1cc2c(ccc3ccccc32)o1 1354217083 LBDVDMTVIAGJMY-UHFFFAOYSA-N 312.328 4.710 30 20 DJED CCC(CC)[C@H](NC(=O)c1cc(C#N)ccc1C)c1ccccc1 1356138166 YSNSLYNPAUPBIJ-FQEVSTJZSA-N 320.436 4.774 30 20 DJED N#Cc1c(Cl)nsc1NCc1ccc(Cl)c(Cl)c1 1472835266 YDOLKQGRXMLOOS-UHFFFAOYSA-N 318.616 4.587 30 20 DJED Cc1cc(NC(=O)c2cccc(SCC#N)c2)ccc1Cl 1537688361 IPYQRNMJHLRHTM-UHFFFAOYSA-N 316.813 4.516 30 20 DJED CSc1ccccc1[C@H](C)Nc1ncc(Cl)c(C)c1C#N 1559175811 FCMGEAGGLNIOAQ-NSHDSACASA-N 317.845 4.810 30 20 DJED Cc1cc(C#N)cc(NCc2ccc(-c3ccccc3F)o2)c1 1560504491 WRXUXWWSUOUJTD-UHFFFAOYSA-N 306.340 4.878 30 20 DJED N#Cc1cc(F)cc(NCC(c2ccccc2)c2ccccc2)c1 1560967966 DQBULEQWWAZLTD-UHFFFAOYSA-N 316.379 4.941 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)N(CCC#N)C(C)(C)CC 1585575278 WGMYLYHWQFTLPI-QGZVFWFLSA-N 306.494 4.914 30 20 DJED C[C@H]1CCC[C@@H](CSc2nc(C(F)(F)F)ccc2C#N)C1 1613723179 BDAHDBQBZABQSP-WDEREUQCSA-N 314.376 4.890 30 20 DJED CC(C)(CNc1cccc(F)c1C#N)c1cccc(Cl)c1 1639359186 JVTCZVFAMSEVAL-UHFFFAOYSA-N 302.780 4.740 30 20 DJED Cc1nc(C(C)C)ccc1COc1cc(Cl)ccc1C#N 1643791049 FMCFGNBOYSPSBM-UHFFFAOYSA-N 300.789 4.618 30 20 DJED CC[C@H](C#N)Sc1nc(C)c(C)n1[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 1651748993 SIZNSUKPUGRGBI-VIQHNZTISA-N 317.502 4.891 30 20 DJED C[C@@H](COc1ccc(Cl)c(Cl)c1)Nc1cccc(C#N)c1 1652080571 RQXBGYSIGOIFJK-NSHDSACASA-N 321.207 4.744 30 20 DJED Cc1ccc([C@H]2CCC[C@@H]2N(C)Cc2ccc(C#N)cc2C)cc1 1652575629 PHPIVGCZMDAEIW-YADHBBJMSA-N 318.464 4.943 30 20 DJED C[C@H](Cc1ccc2ccccc2n1)Sc1ccc(C#N)cc1F 1652674044 RZSCNFGLCWNORG-CYBMUJFWSA-N 322.408 4.969 30 20 DJED Cc1ccc(C(C)(C)CN(C)[C@H](C)c2ccc(C#N)cc2)cc1 1653461553 OKGZAVFTCQNFAV-QGZVFWFLSA-N 306.453 4.837 30 20 DJED C[C@H]1C(=Nn2c3ccccc3c3ccccc32)CC[C@H]1CC(=O)O 1776112646 FHFCNPPJMVPRJG-KGLIPLIRSA-N 320.392 4.519 30 20 DJED Cc1c(C(=O)Nc2sccc2C#N)oc2ccc(Cl)cc12 18119278 IHZQALVFBWEGIQ-UHFFFAOYSA-N 316.769 4.580 30 20 DJED COc1ccc2cc(C(=O)/C=C\c3ccc(C#N)cc3)ccc2c1 33472190 FLDGFGRHJVUFFW-WDZFZDKYSA-N 313.356 4.616 30 20 DJED N#Cc1cccc(CNc2ccccc2SC(F)(F)F)c1 36934384 LTYQCLRCRUKBJZ-UHFFFAOYSA-N 308.328 4.782 30 20 DJED CCOc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1Cl 37773326 NBZWCNHFMRNKED-LBPRGKRZSA-N 300.789 4.783 30 20 DJED CC(C)c1ccsc1C(=O)[C@H](C#N)c1nc2ccccc2o1 66516475 UXUSWYDGLOGSEV-LBPRGKRZSA-N 310.378 4.503 30 20 DJED C[C@H](Nc1ccc(Br)c(F)c1)c1cccc(C#N)c1 88082531 SRXKGYKHYCLDGI-JTQLQIEISA-N 319.177 4.633 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@H]1CC[C@@H](C)C1 129303487 KJUXJFIKFCYMMS-ILXRZTDVSA-N 316.470 4.846 30 20 DJED C[C@H](C#N)Oc1ccc(CNc2ccccc2OC(C)(C)C)cc1 150883213 NNHRQOCHYJFGCT-OAHLLOKOSA-N 324.424 4.767 30 20 DJED Cc1cc(F)ccc1CNc1ccccc1SC[C@@H](C)C#N 181848012 QCGWTNVWNOGHSG-ZDUSSCGKSA-N 314.429 4.998 30 20 DJED C=CCC1(C(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)CCC1 189471544 YRECHADZHIEZQR-UHFFFAOYSA-N 310.397 4.643 30 20 DJED O=C(/C=C\c1ccc(OCC(F)(F)F)cc1)c1cccc(F)c1 214122072 KTFZWCDYRPHGBO-TWGQIWQCSA-N 324.273 4.663 30 20 DJED CC(C)(C#N)CCCC[S@](=O)Cc1ccc(C(C)(C)C)cc1 278037948 XFOLBXNOHXRXEF-QFIPXVFZSA-N 319.514 4.953 30 20 DJED CC[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(C#N)cc1 278391925 DWGPKCGWMQJVCX-WOJBJXKFSA-N 303.409 4.644 30 20 DJED C[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)c1ccc(C#N)cc1 301766691 NVVDHGHKUALFSP-LLVKDONJSA-N 315.298 4.622 30 20 DJED OC(=Nc1ccc2c(c1)oc1ccccc12)[C@H]1C[C@H]2CC[C@H]1O2 329487367 GQJSTVRGDBSVQR-ISTRZQFTSA-N 307.349 4.742 30 20 DJED N#Cc1ccc2c(c1)[C@@H](N[C@@H](CC(F)F)c1ccccc1)CC2 421880576 QNCXCHAPGKYUIP-ROUUACIJSA-N 312.363 4.532 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCCC[C@H]1C 424658841 HEBYAVSSZLVVDD-KFWWJZLASA-N 316.470 4.846 30 20 DJED Cc1ccccc1[C@H](C)CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425119885 AETQOGDZKCRJJZ-SJORKVTESA-N 320.436 4.580 30 20 DJED Cc1ccc([C@H]2CCCN2C(=O)Nc2cccc(C#N)c2C)cc1 432285751 VQLVGYHWYLPCEA-LJQANCHMSA-N 319.408 4.544 30 20 DJED CCC[C@H](NC(=O)Nc1cccc(C#N)c1C)c1ccccc1 432286973 QBMGFYKRYAZHMR-SFHVURJKSA-N 307.397 4.530 30 20 DJED Cc1cccc([C@@H]2CCCCCN2C(=O)c2cc(C#N)cs2)c1 437565330 CIUXUCKEFMLZKG-KRWDZBQOSA-N 324.449 4.686 30 20 DJED C[C@H]1SCCN(CCCCC(C)(C)C#N)[C@@H]1c1ccccc1 444651391 GIOFJZFCPATJID-AEFFLSMTSA-N 316.514 4.885 30 20 DJED CC[C@H](NCc1c(F)cccc1Cl)c1ccc(C#N)cc1 447544541 VZLZTHYCWCRJRH-KRWDZBQOSA-N 302.780 4.592 30 20 DJED CCCCOc1ccc(CNCC(C)(C)CCC#N)cc1Cl 466915876 NVFUPBAMAUOWFL-UHFFFAOYSA-N 322.880 4.938 30 20 DJED C=CC[C@@H](CC)NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 467688312 LCBBXOXJBNCGGS-SNVBAGLBSA-N 311.212 4.559 30 20 DJED C[C@H](Sc1cccc(C#N)c1)C(=O)c1cccc(Cl)c1 468647931 HWSWCCRUNODJJV-NSHDSACASA-N 301.798 4.575 30 20 DJED CN(C(=O)C1(C#N)CCCCC1)C1CCC(C(C)(C)C)CC1 512944726 HJWWLWSZRGHMSF-UHFFFAOYSA-N 304.478 4.524 30 20 DJED C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2cccc(C#N)c2)C1 513548184 IPJMORCTNATWDU-DNVCBOLYSA-N 319.408 4.563 30 20 DJED N#CCCCOc1cccc(NC/C=C\c2ccc(F)cc2)c1 533361399 JDABYHIKYJLYMF-PLNGDYQASA-N 310.372 4.634 30 20 DJED C[C@@H](N[C@H](c1ccccc1)C1CCC1)c1ccc(C#N)c(F)c1 537406663 JPPYPGVXGILCRP-JLTOFOAXSA-N 308.400 4.889 30 20 DJED N#CCCCN[C@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 543427376 ZMZUOWBVSZZTMZ-CVEARBPZSA-N 310.363 4.625 30 20 DJED C=CCC[C@@H](C(=O)NCCCc1cccs1)c1ccccc1 548637108 HRLABWGFSCZJRU-GOSISDBHSA-N 313.466 4.547 30 20 DJED CC(/C=C\c1ccncc1C#N)=C/c1ccccc1OC(F)F 582035356 YUXXAHJROISDOW-IAHOLQHESA-N 312.319 4.671 30 20 DJED CCCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)C 583821000 WWNNQESNQUXJJE-AWEZNQCLSA-N 319.474 4.733 30 20 DJED C=CCN(Cc1cccs1)C(=O)N[C@H]1CCCC[C@H]1CCC 590639056 CWVRPFJFUIRGPH-WBVHZDCISA-N 320.502 4.805 30 20 DJED CCCCN1Cc2cccc(N[C@@H](C#N)C3CCCCC3)c2C1 609677031 MNGVSERLMSMHRD-FQEVSTJZSA-N 311.473 4.687 30 20 DJED C[C@@H]1C[C@@H]1[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 613254304 ADENOEBWAAHXGP-PXZKYJSBSA-N 302.849 4.709 30 20 DJED C=CCCCCCN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 683780833 RIZSQVOVWGVJSD-VXGBXAGGSA-N 317.317 4.796 30 20 DJED CCc1ccc([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)cc1 727736715 ONNOETIXBMXIOD-QGZVFWFLSA-N 320.436 4.608 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC[C@H]1CC1(Cl)Cl 731027927 CIWSCBGACVJTTE-WDEREUQCSA-N 315.269 4.544 30 20 DJED CC(=NNc1ccc(OC(F)F)cc1)c1cccc(C)c1C 734295569 DOQPRNODMZSBLY-UHFFFAOYSA-N 304.340 4.741 30 20 DJED O=C(/C=C\c1nccc2ccccc12)c1ccc(F)c(Cl)c1 740765172 RJANXOGSVQBINH-FPLPWBNLSA-N 311.743 4.923 30 20 DJED CCc1c(C(=O)/C=C\c2cnc3ccccn23)oc2ccccc12 740765331 WYJPQANMZLNLPU-KHPPLWFESA-N 316.360 4.539 30 20 DJED COc1ccccc1/C=C\C(=O)c1cccc(-c2ccncc2)c1 741472941 MBUNATFBOOIDOS-KTKRTIGZSA-N 315.372 4.653 30 20 DJED Cc1cccc2c1OC/C(=C\c1cc3cc(F)ccc3o1)C2=O 741843434 JUKRPHHAXJBAES-UKTHLTGXSA-N 308.308 4.539 30 20 DJED O=C(/C=C/c1cc2cc(F)ccc2o1)c1c[nH]c2ccccc12 741844638 RGMSGBGXEMYEDE-VOTSOKGWSA-N 305.308 4.949 30 20 DJED CCCCCCCCCN(C)C(=O)[C@H](C)c1c(C)noc1C 749796350 SFYDDTZTGKHMBO-CQSZACIVSA-N 308.466 4.604 30 20 DJED CCCCCCC[C@@H](C)CNC(=O)Nc1c(C)noc1C1CC1 767899116 GIVGZUPXIYPSOT-CYBMUJFWSA-N 321.465 4.979 30 20 DJED CC1(C)CCC[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 773982885 SRKNCROLJOCIEI-GJZGRUSLSA-N 324.449 4.813 30 20 DJED CCOc1ccc(N[C@H](CC)c2ccc(C#N)cc2)cc1OC 774313616 IZWIZWRBBRVDSC-QGZVFWFLSA-N 310.397 4.529 30 20 DJED COc1ccccc1-c1ccc(/C=C/C(=O)c2cscn2)cc1 776193611 SCESMYQNBYHMAU-DHZHZOJOSA-N 321.401 4.715 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N1CCc2ncsc2C1 782725452 LDEYSHYWHQJGAX-HNNXBMFYSA-N 322.518 4.805 30 20 DJED C[C@@H](Oc1ccc(C(=O)OCCCCC#N)cc1)c1ccccc1 788228685 SXDLLGIUPPVKOW-MRXNPFEDSA-N 323.392 4.677 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C\c1cnc(-c3ccco3)s1)CC2 789144625 WDYNXXZXSNFWTC-UVTDQMKNSA-N 321.401 4.924 30 20 DJED CCCCCC[C@H](C)NC(=O)C[C@@H](CC#N)c1ccccc1 792931242 GSKYYAREHNDNMA-FUHWJXTLSA-N 300.446 4.549 30 20 DJED CC(CC(C)(C)c1c[nH]c2ccccc12)=NNc1ccnc(F)c1 799484903 JVJBZVRQVFVPMQ-UHFFFAOYSA-N 324.403 4.858 30 20 DJED CSCc1cnc(/C=C/C(=O)c2cc(C)c(F)c(C)c2)s1 834424748 BDFOYNOUIITZRG-SNAWJCMRSA-N 321.442 4.658 30 20 DJED CC(C)(CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1)c1ccccc1 842943549 XOIJXPNSVFPLOE-OAHLLOKOSA-N 324.449 4.565 30 20 DJED COc1ccccc1-c1ccc([C@@H](C)NCC(C)(C)C#N)cc1 903099954 DJAUXHLVSOHVEZ-OAHLLOKOSA-N 308.425 4.563 30 20 DJED Cc1ccc2c(c1)C/C(=C\c1cccc(C(F)(F)F)c1)C2=O 921264305 QOHBPRITJLIADT-RIYZIHGNSA-N 302.295 4.836 30 20 DJED CCc1c(C(=O)Nc2ccc(Cl)c(C#N)c2)oc2ccccc12 1124653039 LBAPWSHHNJIAKO-UHFFFAOYSA-N 324.767 4.773 30 20 DJED Cc1coc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 1125536405 MLWBCLZRAXRJEX-UHFFFAOYSA-N 318.332 4.504 30 20 DJED N#Cc1cc(F)ccc1COc1c(F)cc(Cl)cc1Cl 1166382960 HNCUYLCIIYDKJH-UHFFFAOYSA-N 314.118 4.722 30 20 DJED N#Cc1ccc(C2=CCN(Cc3ccccc3C3CC3)CC2)cc1 1168875672 ZOFMYOWZDFNEIX-UHFFFAOYSA-N 314.432 4.725 30 20 DJED Cc1ccc(C[C@@H]2CCCN2CCC2(C#N)CCCCC2)cc1 1190984689 LAEXYGVCCRTDIS-FQEVSTJZSA-N 310.485 4.866 30 20 DJED C=CCN(C)[C@H](C)c1ncc(-c2ccc(Cl)c(Cl)c2)o1 1255273211 VFFBZNOUYNHFHK-SNVBAGLBSA-N 311.212 4.827 30 20 DJED N#CCOc1ccc(NCc2cccc(OC3CCCC3)c2)cc1 1318614468 MYLDKWSPOUWIDG-UHFFFAOYSA-N 322.408 4.522 30 20 DJED C#CC[C@H](NCc1csc(C(F)(F)F)c1)c1ccccc1 1329157582 ZIOGKKXIAJGBLA-AWEZNQCLSA-N 309.356 4.621 30 20 DJED CCc1ccc(C(=O)/C=C\c2ccc(-c3cnn(C)c3)cc2)s1 1344419484 QXAJSFYDXMUVCS-POHAHGRESA-N 322.433 4.607 30 20 DJED N#Cc1nc(N2CCC[C@@H]2CCC2CCCCC2)sc1Cl 1458252942 HYKPRXRPQJOFEF-CYBMUJFWSA-N 323.893 4.997 30 20 DJED Cc1cc(N(Cc2ccc(C(C)C)cc2)C2CC2)ncc1C#N 1472644151 SJKSTGOMCQSFFB-UHFFFAOYSA-N 305.425 4.554 30 20 DJED CCC[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 1522032369 MBVALBOTIBDSRM-QGZVFWFLSA-N 312.800 4.734 30 20 DJED CCCC1(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@@H]3C)CC1 1544390623 KSTQTRIWANBDLG-RYUDHWBXSA-N 316.470 4.824 30 20 DJED CCC(C)(C)NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1562673313 FRUFMJVCPRIQBW-UHFFFAOYSA-N 323.396 4.661 30 20 DJED N#CC1(CC(=O)N2CCC[C@H]2CC2CCCCC2)CCCCC1 1598165676 GWESJESEZBWNAU-SFHVURJKSA-N 316.489 4.812 30 20 DJED N#Cc1cccc(C(=O)CSc2ccc(Cl)c(Cl)c2)c1 1643735956 IXMGSMSESYFABV-UHFFFAOYSA-N 322.216 4.840 30 20 DJED Cc1nc(N2CCCC3(CCCCCC3)C2)c(Cl)cc1C#N 1651583036 NWSGZLPYMHBDQW-UHFFFAOYSA-N 317.864 4.856 30 20 DJED Cc1ccc(CN(CCC#N)CCC(C)C)cc1Br 1653500671 FEDPMEMAAVJNSR-UHFFFAOYSA-N 323.278 4.519 30 20 DJED Cc1nc(N(C)Cc2ccc(C(C)C)cc2)c(Cl)cc1C#N 1654950414 BOWKYKVJDOTBIC-UHFFFAOYSA-N 313.832 4.675 30 20 DJED Cc1ccc(C#N)c(N[C@H](C)Cc2c(Cl)cccc2Cl)n1 1655332620 ATAQQCMXRVRKGP-LLVKDONJSA-N 320.223 4.612 30 20 DJED CCN(Cc1ccc(C#N)cc1Cl)c1cccc(C)c1F 1655393513 SRKRSEWDBMNFNS-UHFFFAOYSA-N 302.780 4.686 30 20 DJED C[C@@H](Cc1ccc2c(c1)CCCC2)N[C@H](C)c1cccc(C#N)c1 1660695286 IACAHNYXWJDZNH-DLBZAZTESA-N 318.464 4.719 30 20 DJED N#Cc1ccc(C(=O)Nc2cccc(Nc3ccccc3)c2)cc1 98076346 LQNIKLRGBICWTA-UHFFFAOYSA-N 313.360 4.554 30 20 DJED C=C(C)CN(CC)C(=O)c1cc(C)n(C2CCCCC2)c1C 106097861 PRHHMQFQIMWAJD-UHFFFAOYSA-N 302.462 4.648 30 20 DJED CC(C)(C(=O)Nc1cccc(OCCCC#N)c1)C1CCCC1 160339320 MKABGIHOLUGPBD-UHFFFAOYSA-N 314.429 4.524 30 20 DJED CC[C@H](C)[C@@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 171839336 MKZHZHMUTJFKHZ-MELADBBJSA-N 319.474 4.637 30 20 DJED N#CCCCOc1cccc(N[C@H]2CCc3ccc(F)cc32)c1 174997656 KITMBOWITFVXSU-IBGZPJMESA-N 310.372 4.608 30 20 DJED N#Cc1cccc(CN[C@H](c2ccc(Cl)cc2)C2CCC2)c1 237788290 NKMIMCGVJQDRRR-IBGZPJMESA-N 310.828 4.843 30 20 DJED C=C(C)[C@H](N[C@@H](C)c1cc(C)ccn1)c1ccc(F)c(F)c1 286215868 SBNRPVSLSLKYPX-UGSOOPFHSA-N 302.368 4.636 30 20 DJED CCC(C)(C)OCc1ccccc1N/C(O)=N/C1CCCC1 330871304 XWEICOSZIZIOGO-UHFFFAOYSA-N 304.434 4.660 30 20 DJED C[C@@H](Sc1ccccc1C#N)c1nccn1-c1ccccc1 344078366 RYKVEHMJQPJLNR-CQSZACIVSA-N 305.406 4.597 30 20 DJED CCC[C@H](NC(=O)CCCC#N)c1ccc(Cl)c(Cl)c1 360144884 YHSLXSRYFLSMFV-AWEZNQCLSA-N 313.228 4.645 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1sccc1C1CC1 432720803 YYVJHFXWUICYOJ-UHFFFAOYSA-N 324.449 4.548 30 20 DJED C=CCC[C@@H](NC(=O)NCc1sccc1C)c1ccccc1 434963119 JXHWQMFDNMCSMM-MRXNPFEDSA-N 314.454 4.563 30 20 DJED CC[C@@H](NCc1ccc(C#N)cc1Cl)c1cc(F)ccc1F 439432656 UVEPCBZNGNOMOW-QGZVFWFLSA-N 320.770 4.731 30 20 DJED Cc1ccccc1[C@H](CC(F)(F)F)NCc1ccccc1C#N 444007120 ABARCCLDEZOMTP-KRWDZBQOSA-N 318.342 4.650 30 20 DJED C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@H]1c1cccc(C)c1 460393236 IIOZXZRYYUIPJP-SFHVURJKSA-N 324.472 4.628 30 20 DJED C=CCCN(C)C(=O)c1cc(C)c(-c2ccc(F)cc2)s1 467079997 BTAUJFTWQXTNSV-UHFFFAOYSA-N 303.402 4.511 30 20 DJED Cc1cc(F)cc(Br)c1OCCCC(C)(C)C#N 478828418 PWJLOGBXWPSOSI-UHFFFAOYSA-N 314.198 4.605 30 20 DJED C=C[C@H](CC(=O)N[C@@H](CC)c1ccc(OC)cc1)c1ccccc1 534604554 DJRTVCFJHKDNJQ-UZLBHIALSA-N 323.436 4.622 30 20 DJED N#CC1(CCCNc2cccc(Cl)c2Cl)CCOCC1 539711192 FKAKJWUZJHVIPH-UHFFFAOYSA-N 313.228 4.506 30 20 DJED C=C(CC)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 543052594 SIWLXYLWKAYQCY-SFHVURJKSA-N 300.833 4.575 30 20 DJED C=CCC(C)(C)C(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 554266683 XQDAMMJJIJLOAC-HNNXBMFYSA-N 323.889 4.635 30 20 DJED N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCc3sc(Cl)cc31)CC2 564428273 REXUZDGQSAUVIC-GJZGRUSLSA-N 314.841 4.538 30 20 DJED CCCN(Cc1ccc(C)cc1)C(=O)Nc1cccc(CC#N)c1 581710014 NWRQRJODPROZNH-UHFFFAOYSA-N 321.424 4.505 30 20 DJED Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Cc1ccc(C#N)cc1 593940261 MHXNNWKMGKHLNO-MRXNPFEDSA-N 320.436 4.807 30 20 DJED C[C@H](NC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccc(C#N)cc1 608935409 UDLVBQILJYXQFT-VYDXJSESSA-N 312.457 4.588 30 20 DJED CCc1c(C)sc(NC(=O)[C@@H]2CCCc3ccccc32)c1C#N 609032412 GOGLSFKWKBVADM-MRXNPFEDSA-N 324.449 4.549 30 20 DJED Cc1cccc2sc(C(=O)N[C@@H](C#N)C(C)(C)C)c(Cl)c12 610659660 CGFBFHBXMHMYEE-NSHDSACASA-N 320.845 4.531 30 20 DJED CCCCN(Cc1ccc(C#N)s1)[C@H](C)c1ccc(C)o1 611258083 JMNLVESNYSAMJW-CQSZACIVSA-N 302.443 4.885 30 20 DJED CC(C)Cc1noc(-c2cccc(Oc3ccc(C#N)cc3)c2)n1 731795907 IGBGHTMIBIACFF-UHFFFAOYSA-N 319.364 4.599 30 20 DJED Cc1ccc(F)c(/C=C\C(=O)c2ccccc2OC(F)F)c1 734980978 LIHATIPANJYQSV-CLFYSBASSA-N 306.283 4.632 30 20 DJED CCCCCC[C@@H](C)C(=O)Nc1cc(C#N)ccc1OC(F)F 741921133 XKYWQMJFDYYLRP-GFCCVEGCSA-N 324.371 4.705 30 20 DJED CCCCCC[C@H](C)C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 744161028 RMBKYTNEOCLTHM-GJZGRUSLSA-N 311.429 4.654 30 20 DJED COc1ccc2cc(C(=O)/C=C\c3cc(C#N)cs3)ccc2c1 748439199 LMRLWKBARQFVGT-SREVYHEPSA-N 319.385 4.678 30 20 DJED COc1ccc2oc(C(=O)/C=C/c3cc(C#N)cs3)c(C)c2c1 748441059 VSVXFUHYXLXQGJ-SNAWJCMRSA-N 323.373 4.579 30 20 DJED COc1cccc(C=Nc2cccc(-c3cccs3)c2)c1O 750950579 XDBFRCPNRKMZIS-UHFFFAOYSA-N 309.390 4.880 30 20 DJED O=C(/C=C/c1nc(Cl)cs1)c1ccc(-c2ccccc2)o1 759082568 FCQKRNOEGMWNDW-RMKNXTFCSA-N 315.781 4.953 30 20 DJED O=C1/C(=C/c2ccc(Cl)nc2Cl)CCc2ccc(F)cc21 761480232 QGKPAPZXSDJXNI-JXMROGBWSA-N 322.166 4.740 30 20 DJED C(=NNCc1cnc2ccccc2c1)c1ccc2ccccc2c1 764777932 FQNQUKZZUJSHOO-UHFFFAOYSA-N 311.388 4.512 30 20 DJED C#CCCCCC(=O)N1CCCCC[C@@H]1/C=C\c1ccccc1 773427975 UPVMUZVGMWCZJM-UAMJFUFUSA-N 309.453 4.665 30 20 DJED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cc2ccccc2[nH]1 775627029 FKQAPDPDAFOXQM-QAPCUYQASA-N 303.409 4.864 30 20 DJED O=C1/C(=C/c2cc(Cl)cs2)CCOc2cc(F)ccc21 782353074 YEEGMBFHAZRSEJ-WEVVVXLNSA-N 308.761 4.589 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2cc(F)c(F)cc2F)c(Cl)c1 788359699 CILIQSHZSBWBLL-DUXPYHPUSA-N 321.685 4.525 30 20 DJED CC(C)Sc1cccc(Cl)c1C=NNc1ncccc1F 794980304 IMSMUEOLPVSZKJ-UHFFFAOYSA-N 323.824 4.821 30 20 DJED N#C[C@H]1CC[C@@H](NCCCCCCOc2ccc(Cl)cc2)C1 799723456 JNHSODUGODXTHZ-DOTOQJQBSA-N 320.864 4.561 30 20 DJED C#CCCCC(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 808438689 KWAKLDJMDKFSSR-UHFFFAOYSA-N 324.251 4.503 30 20 DJED COc1ccc(/C=C2/CSc3c(F)cccc3C2=O)cc1C 810237830 KNOCJOKEBJCHEX-LCYFTJDESA-N 314.381 4.515 30 20 DJED CSc1ccc(CNc2ccc(OC(C)C)c(C#N)c2)s1 811488198 NXQZKWXSYWUSFY-UHFFFAOYSA-N 318.467 4.741 30 20 DJED COc1ccc(CNCc2ccc(C3CCCC3)cc2)cc1C#N 812757758 SWPXOHMQZBZFLC-UHFFFAOYSA-N 320.436 4.514 30 20 DJED C[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1CCC1 837344876 WQBKPOPVQGWVNO-MGPUTAFESA-N 318.420 4.717 30 20 DJED CC1(CC(=O)[C@H](C#N)c2nc(C3CC3)cs2)CCCCC1 842940339 BPUVJBRSORWNCT-ZDUSSCGKSA-N 302.443 4.557 30 20 DJED CCCCCCCC(=O)N[C@H](C)c1ccc(OC(F)F)cc1 912913053 VAUACHMEKDKBHR-CYBMUJFWSA-N 313.388 4.826 30 20 DJED C#Cc1cccc(NC(=O)N[C@H](CC(C)C)c2ccccc2)c1 915339958 VLDSRULDDUXTGX-LJQANCHMSA-N 306.409 4.577 30 20 DJED O=C(/C=C\c1cn2cc(Cl)ccc2n1)c1ccc(Cl)s1 920755158 HQCLRGGLBOZOIS-IHWYPQMZSA-N 323.204 4.599 30 20 DJED C[C@@H](c1ccccc1)N(C(=O)c1ccc(C#N)o1)c1ccccc1 1125369977 CWRWPFUMXXBOMC-HNNXBMFYSA-N 316.360 4.559 30 20 DJED CCc1ccc([C@H](C#N)N(C)C(=O)C[C@@H](C)CC(C)(C)C)cc1 1129379421 LFZXSQGJYUVVJZ-QAPCUYQASA-N 314.473 4.734 30 20 DJED Cc1ccc(N(CCC#N)C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)cc1 1136505984 YULGHNPWLPNYJR-YZGWKJHDSA-N 324.468 4.848 30 20 DJED CC(C)CCN(CCC#N)CCCc1c(F)cccc1Cl 1180031093 VADVZJUXMGINGY-UHFFFAOYSA-N 310.844 4.673 30 20 DJED C=C(Br)CN1CC[C@H](C)C[C@H]1c1ccc(CC)o1 1307498171 GTEWDLOJCCZPHD-FZMZJTMJSA-N 312.251 4.524 30 20 DJED Cc1c(C#N)cccc1C(=O)Nc1ccc(-c2ccccc2)cc1 1355406373 AYNTYPCDECTUAA-UHFFFAOYSA-N 312.372 4.786 30 20 DJED CC(C)CN(C(=O)C1C[C@@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 1358198563 IFPQVYQIZGHPTQ-HOTGVXAUSA-N 312.457 4.620 30 20 DJED CC[C@@H](CC1CCCC1)C(=O)N(C)c1cc(Cl)ccc1C#N 1435414103 NHAXYLUCFDDNNY-AWEZNQCLSA-N 318.848 4.781 30 20 DJED N#C[C@H]1CCC[C@@H](OC(=O)c2sccc2-c2ccccc2)C1 1436649630 QCBQVLLUFFTSHK-DZGCQCFKSA-N 311.406 4.654 30 20 DJED CC(C)C[C@]1(C)CCCN1Cc1ccc(C#N)cc1OC(F)F 1460136636 PIFIDLWKOBJSPO-SFHVURJKSA-N 322.399 4.560 30 20 DJED CC[C@@H](CC#N)NC(CCc1ccccc1)CCc1ccccc1 1462052389 LZHAGHPSQVBMOB-NRFANRHFSA-N 320.480 4.902 30 20 DJED N#Cc1cccc(C#N)c1Oc1ccc(Cl)c(C(F)(F)F)c1 1472639162 JKDBPAPTOHTJLS-UHFFFAOYSA-N 322.673 4.894 30 20 DJED CCC(C)(CC)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1528588878 JKHYFDKPYMXTNI-UHFFFAOYSA-N 323.396 4.510 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[C@H]1CCCCC1(C)C 1529667012 SLLCLZHGLXBTKU-MAUKXSAKSA-N 312.457 4.684 30 20 DJED C[C@@H](CCc1cccc(C(F)(F)F)c1)NCC(C)(C)CC#N 1560879026 MVTVUBWNUYRBFF-ZDUSSCGKSA-N 312.379 4.556 30 20 DJED C[C@@H]1CC(Nc2c(C#N)cnc3c(Cl)cccc23)C[C@@H](C)C1 1612011171 ZZTQNBGBUUYAHQ-RYUDHWBXSA-N 313.832 4.996 30 20 DJED N#C[C@H]1CC[C@@H](N[C@@H]2CCCC[C@@H]2c2ccccc2Cl)C1 1621404851 ZCADLWNZXKBEAA-GARXJVFOSA-N 302.849 4.648 30 20 DJED C[C@H](CCSc1cccc(F)c1C#N)OCc1ccccc1 1641162814 ITMHRMCHKDHPER-CQSZACIVSA-N 315.413 4.785 30 20 DJED N#CCCN(Cc1ccc(Oc2ccccc2)c(F)c1)CC1CC1 1641934074 KDWZEVFKPXPJEP-UHFFFAOYSA-N 324.399 4.744 30 20 DJED C[C@]1(CCc2ccccc2)CCN(Cc2ccc(F)c(C#N)c2)C1 1644759330 OOFOVETWIFJJFH-NRFANRHFSA-N 322.427 4.542 30 20 DJED N#CCc1ccc(CN2CCC(c3ccc(Cl)cc3)CC2)cc1 1645389371 XQJQQLQEUMYBKT-UHFFFAOYSA-N 324.855 4.786 30 20 DJED Cc1nc(N(C)C2CCC(C(C)(C)C)CC2)c(Cl)cc1C#N 1650690642 FMRQWZARRFMEET-UHFFFAOYSA-N 319.880 4.956 30 20 DJED CCC[C@H](C)[C@H]1CCCN1c1ccc(C#N)c(Br)c1 1650860189 QVHDUTUCALCDED-BLLLJJGKSA-N 321.262 4.726 30 20 DJED N#Cc1cc(F)cc(NCc2c(Cl)oc3ccccc23)c1 1652960520 WDFVLEJHXNVNND-UHFFFAOYSA-N 300.720 4.709 30 20 DJED Cc1cc(C)cc(C2CCN(Cc3ccc(C#N)c(C)c3)CC2)c1 1653213527 QDWJVSLTSUBPGA-UHFFFAOYSA-N 318.464 4.863 30 20 DJED N#Cc1ccc(CN[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)cc1 1662656832 BKJBNUYDQTURAV-HKUYNNGSSA-N 310.828 4.638 30 20 DJED CN(C(=O)Nc1cccc(CC#N)c1)c1ccc2ccccc2c1 1670084416 HJGASOOCAOJPMD-UHFFFAOYSA-N 315.376 4.574 30 20 DJED C[C@@H](ON=C1CCCCc2cc(C(=O)O)ccc21)c1ccccc1 1776083217 RZLDFPFAEDGZGB-CQSZACIVSA-N 323.392 4.593 30 20 DJED COc1ccc(/C=C2\CCc3[nH]c4ccc(F)cc4c3C2=O)cc1 26433455 WPEDVAFRLOQQCA-JLHYYAGUSA-N 321.351 4.528 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N(C)Cc1ccc(C(C)C)cc1 58452688 CTNMCALLTXPRJG-UHFFFAOYSA-N 321.424 4.654 30 20 DJED O=C(/C=C\c1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 98053762 QTPOEOWXDLMTDH-FPLPWBNLSA-N 321.254 4.510 30 20 DJED Cc1cccnc1[C@@H](NCc1ccccc1C(C)(C)C#N)C(C)C 135233937 DCUWEDAKPXOZAK-IBGZPJMESA-N 321.468 4.678 30 20 DJED CC(=O)c1cc(Cl)ccc1OCc1ccc(C#N)cc1Cl 163121435 ICEWNDKLZWYWPW-UHFFFAOYSA-N 320.175 4.647 30 20 DJED C[C@H](N[C@H](C)c1ccc(OCC#N)cc1)c1cc2ccccc2o1 191633171 OODVAAYGODQLJX-CABCVRRESA-N 320.392 4.747 30 20 DJED COc1cccc([C@H](C)Nc2cccc(OCCCC#N)c2)c1 193905484 GWIVKGCVOBGXJD-HNNXBMFYSA-N 310.397 4.551 30 20 DJED COc1ccc(C(=O)/C=C/c2ccc3ccccc3c2)c(F)c1 301493211 YTYAVLBERXDYLZ-YRNVUSSQSA-N 306.336 4.884 30 20 DJED CC(C)Oc1ccccc1[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 320015060 FJZGSMLFBYUAIU-HZPDHXFCSA-N 308.425 4.757 30 20 DJED Cc1nc2cc(Cl)c(N=C(O)CC[C@H]3CCOC3)cc2s1 330125069 LSTZFACQKXTPJV-JTQLQIEISA-N 324.833 4.663 30 20 DJED C=CC1CCN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 439971967 LSROBMZVZFFNFH-UHFFFAOYSA-N 317.191 4.562 30 20 DJED CC(N[C@H]1CCC[C@H](C#N)C1)(c1ccccc1)c1ccccc1 463245442 CHBVPGVTTYQQLH-PXNSSMCTSA-N 304.437 4.622 30 20 DJED C=CC[C@@H]1N(C(=O)c2csc(C(C)(C)C)n2)CCCC1(C)C 470278891 IAHSMQQXKAHAMU-AWEZNQCLSA-N 320.502 4.648 30 20 DJED Cc1cc2cc(NC(=O)c3ccc(C(C)(C)C#N)cc3)ccc2[nH]1 474782546 DPQQKQMZPMAQGG-UHFFFAOYSA-N 317.392 4.530 30 20 DJED CCN(C[C@H]1CCCC(F)(F)C1)[C@@H](C)c1ccc(C#N)cc1 513887273 BFSKSJISMALVBK-HOCLYGCPSA-N 306.400 4.767 30 20 DJED C=C(CC)CS[C@@H](C)C(=O)Nc1c(CC)cccc1CC 536881104 HCPHRDJJISSSHB-AWEZNQCLSA-N 305.487 4.838 30 20 DJED N#C[C@@H]1CC[C@H](N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)C1 562764116 CLBVSBPFTVVIFJ-RMRKRWHISA-N 322.374 4.623 30 20 DJED C=CCCCC(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 580592341 PGGDAFFCBLLQAF-UHFFFAOYSA-N 309.812 4.574 30 20 DJED Cc1cccc(C2(C(=O)Nc3ccc(C#N)c(Cl)c3)CCC2)c1 602101589 XEWXYSOILFDXRK-UHFFFAOYSA-N 324.811 4.581 30 20 DJED Cc1cc(Cl)c2ncc(C#N)c(N[C@@H](C)c3ccccn3)c2c1 619792138 JVWRJMYFQUFGTH-LBPRGKRZSA-N 322.799 4.636 30 20 DJED CC1=CC(=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 727250882 ZOERBIXVVYTYTD-UHFFFAOYSA-N 313.279 4.512 30 20 DJED c1ccc(C2CCC(=NNc3cnc4ccccc4n3)CC2)cc1 727258737 SKWXJWOWWUJMSY-UHFFFAOYSA-N 316.408 4.756 30 20 DJED C=C(C)COc1cccc(NC(=O)c2ccc(CC)s2)c1 727400832 FMMGYMHXEGMBJB-UHFFFAOYSA-N 301.411 4.518 30 20 DJED CC[C@@H](CC1CCCC1)C(=O)[C@@H](C#N)c1nc2ccccc2o1 734080515 UJJJZMNWIAFFRI-LSDHHAIUSA-N 310.397 4.611 30 20 DJED C=CCN(C(=O)C[C@@H](Cc1ccccc1)c1ccccc1)C(C)C 741898171 CXCYWFLFNJWJTH-OAQYLSRUSA-N 321.464 4.826 30 20 DJED C[C@H](OC(=O)Cc1ccc(C#N)cc1)c1cccc2ccccc12 750245899 NELXJCCXPPONKK-HNNXBMFYSA-N 315.372 4.558 30 20 DJED O=C(/C=C/c1cnc(-c2cccs2)s1)c1cccc(F)c1 751514588 ZUAHIMGSQMWYOI-VOTSOKGWSA-N 315.394 4.907 30 20 DJED C#CCCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C 758102991 HTJOSCIHZKYISC-UHFFFAOYSA-N 312.240 4.534 30 20 DJED O=C(/C=C\c1ccc(Cl)nc1Cl)c1cc(F)cc(F)c1 761480627 RHAZSAQVYJKHEN-IWQZZHSRSA-N 314.118 4.563 30 20 DJED N#CCCCCOC(=O)c1ccccc1N=Nc1ccc(O)cc1 767268633 RRQLIZXKIAWOPO-UHFFFAOYSA-N 323.352 4.658 30 20 DJED CC1CCC(N(Cc2ccc(O[C@@H](C)C#N)cc2)C2CC2)CC1 768252263 HOOXZEVATLTXOG-PQUAAJSLSA-N 312.457 4.521 30 20 DJED C[C@@H](C#N)Oc1ccc(CN(C2CC2)[C@H](C)c2ccccc2)cc1 768258178 SHUKKEHCRQKNQA-DLBZAZTESA-N 320.436 4.703 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1ccc(SC(F)F)cc1 785594766 ZLJSVGSGFSVIEK-LBPRGKRZSA-N 312.385 4.574 30 20 DJED C=C[C@](C)(CC)C(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1 785596667 BRYNRHUFNJNBJG-GOSISDBHSA-N 319.401 4.541 30 20 DJED CC(=C/c1cccc([N+](=O)[O-])c1)/C=C/C(=O)c1ccccc1F 787169185 NQLBLRWIQOPDSO-LTCRFSFDSA-N 311.312 4.576 30 20 DJED O=C(/C=C\c1nc2c(s1)CCCC2)c1csc(Cl)c1 787185516 BZBQJTOELCRPIS-WAYWQWQTSA-N 309.843 4.633 30 20 DJED Cc1cccnc1NN=C[C@@H](C)c1ccc(C(F)(F)F)cc1 789050659 JBYXJKTVEDNUSF-GFCCVEGCSA-N 307.319 4.610 30 20 DJED O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CC/C1=C\c1ccccc1F 818470414 NPFYFCUGLTWMTK-NCZFFCEISA-N 323.323 4.564 30 20 DJED FC(F)C1CC(=NNc2ccc(Cl)c(C(F)(F)F)c2)C1 844606986 KWUKLZRDFSNGKQ-UHFFFAOYSA-N 312.669 4.802 30 20 DJED Cc1ccccc1C=NNc1ncc(C(F)(F)F)cc1Cl 916286668 NKRJYRMNCMDEJS-UHFFFAOYSA-N 313.710 4.508 30 20 DJED CCC(C)(C)c1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 1124844147 SPZKZYDXDPPKFX-HNNXBMFYSA-N 320.436 4.737 30 20 DJED Cc1cc(C)c(C#N)c(SCc2cccc(Cl)c2F)n1 1188085130 QFMNPNAQYAIEKE-UHFFFAOYSA-N 306.793 4.655 30 20 DJED Cc1cc(CN(Cc2ccccc2)Cc2ccco2)ccc1C#N 1308643624 LZRFERGBXMLBBZ-UHFFFAOYSA-N 316.404 4.662 30 20 DJED Cc1c(C#N)cccc1NC(=O)N[C@H]1CCCC[C@H]1C(C)(C)C 1310419279 ZWYFXTAVUQOEPW-WBVHZDCISA-N 313.445 4.593 30 20 DJED CCC(CC)N(CC(C)C)C(=O)Nc1scc(C)c1C#N 1310700889 HTEFHRPWNMTGLT-UHFFFAOYSA-N 307.463 4.607 30 20 DJED C[C@@H](NCCCCC1(C#N)CCC1)c1nc(C(C)(C)C)cs1 1335780860 NJEZRRIAAXOOHG-CQSZACIVSA-N 319.518 4.955 30 20 DJED C=C[C@@](C)(CC)c1nnc(-c2ccc(COc3ccccc3)o2)o1 1349977598 SOAFZBINHJBFJE-IBGZPJMESA-N 324.380 4.762 30 20 DJED CCc1cc(C#N)c(NC(=O)c2cccc(C(C)(C)C)c2)s1 1355620437 GZESXFXVFKRHNZ-UHFFFAOYSA-N 312.438 4.732 30 20 DJED CC(C)(C)c1ccc(CCC(=O)Nc2cc(C#N)ccc2F)cc1 1436643707 QQRKMHXUPLELJO-UHFFFAOYSA-N 324.399 4.566 30 20 DJED N#CCC[C@@H](Nc1cc(C2CC2)nc(C2CC2)n1)c1ccccc1 1458269746 QKIBKQPSIHJOLA-QGZVFWFLSA-N 318.424 4.688 30 20 DJED CC(C)Oc1ccc(CN2CCCC(C)(C)[C@@H]2C#N)cc1Cl 1460060747 RNZULFYWJPZKQN-KRWDZBQOSA-N 320.864 4.641 30 20 DJED CC(C)(CNC1CCC(C)(C#N)CC1)Cc1cccc(Cl)c1 1461350851 YWWNJGWDVRHLOU-UHFFFAOYSA-N 318.892 4.971 30 20 DJED C[C@@H](Cc1ccc2c(c1)CCCC2)Nc1cc(F)cc(C#N)c1 1462501060 CAIYLLXWXLASHR-AWEZNQCLSA-N 308.400 4.619 30 20 DJED CC(C)(CNc1ncc(C#N)cc1Cl)c1cccc(Cl)c1 1472674324 TVIDCCXTEKWGOZ-UHFFFAOYSA-N 320.223 4.650 30 20 DJED N#CC1(CSc2nccn2-c2ccc(Cl)cc2)CCCC1 1472930093 MKAXLBANHQYOKN-UHFFFAOYSA-N 317.845 4.702 30 20 DJED CCC(CC)CN(CCC#N)Cc1ccc(Br)cc1 1473203915 JQMMYPGNOCYTMB-UHFFFAOYSA-N 323.278 4.601 30 20 DJED CN(Cc1cccc(C#N)c1)c1ccccc1Oc1ccccc1 1473236738 BIDKSRLMMOWYTL-UHFFFAOYSA-N 314.388 4.987 30 20 DJED CC[C@H](C#N)C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 1587877995 OCWYILGZSLIZKK-CYBMUJFWSA-N 304.349 4.588 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CC[C@H](Cc2ccccc2)[C@H]1C 1615826729 UPFFKZRBHYKRLS-CBGDNZLLSA-N 304.437 4.572 30 20 DJED N#Cc1c(F)cccc1CN1C[C@@H]2CCCC[C@]21c1ccccc1 1621158518 BCFCHVCFCQKSSV-RXVVDRJESA-N 320.411 4.599 30 20 DJED CC(C)(C#N)CCCN1CCCSc2cc(Cl)ccc21 1648030840 XDWTYSGZJBXNCJ-UHFFFAOYSA-N 308.878 4.972 30 20 DJED CC1(C)CC[C@@H](Nc2ccc(Cl)c(C#N)n2)c2ccccc21 1650694165 YCLFONBRHGCBFJ-OAHLLOKOSA-N 311.816 4.831 30 20 DJED C[C@@H](C#N)Oc1ccccc1N[C@H](C)Cc1coc2ccccc12 1658577374 LWEFVTCGTQACCO-CABCVRRESA-N 320.392 4.767 30 20 DJED N#Cc1ccc2c(c1)CCCN2Cc1cccc(Cl)c1Cl 1658801491 UDSGVWVZZFBKEJ-UHFFFAOYSA-N 317.219 4.818 30 20 DJED C[C@@H](NCc1ccc(C#N)c(F)c1)[C@H](C)c1ccc(Cl)cc1 1665005291 WEGKVTKYLQIEQV-QWHCGFSZSA-N 316.807 4.633 30 20 DJED CCCCCC1=C(C)CCC1=NNc1ccc(C(=O)O)cc1 1776011938 BZDLCLATUXLCIW-UHFFFAOYSA-N 300.402 4.843 30 20 DJED CC[C@H](Nc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 21805016 KBEWXPHPRAJLAQ-KRWDZBQOSA-N 300.789 4.806 30 20 DJED C[C@H](C#N)Oc1ccc(/C=C/c2ccc3ccccc3n2)cc1 57736984 VBVQQGKZUDHQBZ-WCLQSUPFSA-N 300.361 4.696 30 20 DJED C=CCN(Cc1ccccc1)Cc1csc(C2CCCC2)n1 63994292 NEQYVXOULTVUKJ-UHFFFAOYSA-N 312.482 4.989 30 20 DJED Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 161135979 RZYICPWZZYHNON-JKSUJKDBSA-N 324.449 4.600 30 20 DJED C[C@H](Cc1ccccc1C(F)(F)F)NCC(C)(C)CCC#N 181147264 DYYYNMLYPJEDNT-CYBMUJFWSA-N 312.379 4.556 30 20 DJED N#Cc1ccc(OCc2csc(-c3ccoc3)n2)cc1Cl 190247934 RAMPWLBSLWVCOH-UHFFFAOYSA-N 316.769 4.507 30 20 DJED CC(C)(C)c1ncc(/C=C\C(=O)c2ccc(F)cc2F)s1 255129090 IGERGYKDKWSCQV-ALCCZGGFSA-N 307.365 4.615 30 20 DJED CCOc1ccc([C@H](C)Nc2ccc(C#N)cc2)cc1OCC 301083542 KHSXPSKEDALANS-AWEZNQCLSA-N 310.397 4.529 30 20 DJED CC(C)CCOc1ccc(CNc2cccc(CC#N)c2)cc1 313486985 ZDOFXAUNTCXTDS-UHFFFAOYSA-N 308.425 4.790 30 20 DJED Cc1cc2c(cc1C)[C@@H](NCC(C)(C)CCC#N)CCS2 348239755 CGOIRRURHLBIIJ-INIZCTEOSA-N 302.487 4.760 30 20 DJED C[C@@H](CCc1ccco1)N[C@H]1CCCCc2cc(C#N)ccc21 360821650 MJSAXXPDZYZFAR-YWZLYKJASA-N 308.425 4.530 30 20 DJED Fc1ccc(NCCC(F)(F)F)c(OCCC(F)(F)F)c1 409849032 MAALLIGEQINULI-UHFFFAOYSA-N 319.220 4.521 30 20 DJED N#CC1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 411216443 FLYMNAAETVZRIO-IBGZPJMESA-N 310.828 4.665 30 20 DJED N#CCCC[C@H](NC[C@@H]1CCCC(F)(F)C1)c1ccccc1 433025725 AXDMMZSVRAEPKV-WBVHZDCISA-N 306.400 4.837 30 20 DJED C=CCC[C@@H](NC(=O)c1cccc2cnccc12)c1ccccc1 435272855 TZMHAUPCOJXSTO-HXUWFJFHSA-N 316.404 4.672 30 20 DJED Cc1cccc([C@H]2CCCCCN2C(=O)c2cc(C#N)oc2C)c1 435457779 MHBJBMRAWIBLDD-LJQANCHMSA-N 322.408 4.526 30 20 DJED Cc1ccccc1COc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 442854339 KTNZVVWJYJBNIE-APWZRJJASA-N 306.409 4.678 30 20 DJED C[C@@H]1CCC[C@H](OCc2cccc(N[C@@H]3CC[C@H](C#N)C3)c2)C1 442866364 IHADDKVVOGTTNE-GJJHYRHESA-N 312.457 4.886 30 20 DJED CC(C)Oc1ccc(-c2nc(-c3cccc(C#N)c3)cs2)cn1 446143243 CYQNCBGEINSCNQ-UHFFFAOYSA-N 321.405 4.531 30 20 DJED C=CCN(Cc1cccs1)Cc1ncc(C(C)(C)C)s1 448218894 DKNQQAFAZUHHHC-UHFFFAOYSA-N 306.500 4.690 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 467445173 YKZLSIWPVILFIM-REBRKWNGSA-N 323.267 4.911 30 20 DJED C=CCCC1(C(=O)N2CC[C@@](C)(CCc3ccccc3)C2)CC1 476295858 VUTCPSJQNVMNPE-HXUWFJFHSA-N 311.469 4.604 30 20 DJED N#Cc1ccccc1CNc1ccccc1N1CCCCCC1 482812059 KPBFYVDOFYOJPG-UHFFFAOYSA-N 305.425 4.551 30 20 DJED C=CCN(C(=O)[C@H](C)Sc1ccc(C)cc1)c1ccccc1 484259476 DKMIKCKMQUKVKS-INIZCTEOSA-N 311.450 4.695 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1cc(F)cc(F)c1 484948432 SRIHYPFKJUWFBZ-UHFFFAOYSA-N 308.372 4.565 30 20 DJED Cc1ccc(C#N)cc1NC(=O)Nc1ccc(C)c(OC(C)C)c1 488337459 JJAFSBPPBKPRJF-UHFFFAOYSA-N 323.396 4.606 30 20 DJED C=CC[C@H](C(=O)Nc1ccc(OCC)c(F)c1)c1ccccc1 488693073 UUCIXUXXILUEEK-INIZCTEOSA-N 313.372 4.523 30 20 DJED C[C@@H](C(=O)N(CCC#N)CC(C)(C)C)c1ccc2ccccc2c1 494307647 JWTLVGDYUNIZIN-MRXNPFEDSA-N 322.452 4.732 30 20 DJED CO[C@H](c1ccccc1)[C@H](C)Nc1cccc(OCCCC#N)c1 494628287 BVTDHWGGCNHGNO-JXFKEZNVSA-N 324.424 4.557 30 20 DJED N#Cc1cccc(NC(=O)c2cscc2-c2ccccc2)c1 516999204 LHBRYNCPQVEWJJ-UHFFFAOYSA-N 304.374 4.539 30 20 DJED N#Cc1ccc(C(=O)Nc2ccc3oc4ccccc4c3c2)s1 530670479 KHTCQVLVRKEXBL-UHFFFAOYSA-N 318.357 4.771 30 20 DJED N#Cc1cc(F)ccc1CN[C@@H](c1ccccc1)C1CCCC1 533521207 FAVDDURJYUPEHI-FQEVSTJZSA-N 308.400 4.718 30 20 DJED C=C[C@@H](CC(=O)Nc1nc2ccsc2s1)c1ccccc1 534688668 SPQKGXPGGPIYPI-NSHDSACASA-N 314.435 4.656 30 20 DJED N#Cc1ccc(CNc2ccc(-c3cnc(C4CC4)o3)cc2)s1 539932326 OOUSHOYHDLUOHO-UHFFFAOYSA-N 321.405 4.764 30 20 DJED N#CC[C@H]1CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1 596445681 CIQGDQMFOCNBLO-MRXNPFEDSA-N 319.408 4.511 30 20 DJED N#CCc1ccc(CSCc2cccnc2C(F)(F)F)cc1 600638809 YGOGCKUVGKHTBS-UHFFFAOYSA-N 322.355 4.600 30 20 DJED CC(C)c1ccc(OC2CCN(c3ccc(C#N)cc3)CC2)cc1 603866815 FBRVFYZZZVAYOF-UHFFFAOYSA-N 320.436 4.729 30 20 DJED CC(C)(C)CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609176365 GBWHTJVKVUXMKT-UHFFFAOYSA-N 308.381 4.725 30 20 DJED C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@H]1c1ccccc1C 685546039 IRFXZKJEEIHTMD-YJBOKZPZSA-N 324.472 4.628 30 20 DJED CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1cc(C)oc1C 726425740 DWTBSRXVOFZNDZ-UHFFFAOYSA-N 321.302 4.623 30 20 DJED Cc1cc(-c2ccccc2)ccc1NC(=O)c1sccc1C#N 748053644 WDEAEJXQYZILPU-UHFFFAOYSA-N 318.401 4.848 30 20 DJED C=CCN(C(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1)C(C)C 748175229 YKBWZRJXHXZHCC-ACCUITESSA-N 311.347 4.532 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)[C@H](C)CCC(C)(C)C)n1 755714948 RIIMWTDSCKRHIU-CHWSQXEVSA-N 306.475 4.905 30 20 DJED CC(C)c1ncc(/C=C/C(=O)c2cn(C)c3ccccc23)s1 758434769 UXCDWJDBXGIXSC-CMDGGOBGSA-N 310.422 4.654 30 20 DJED CCN(Cc1cc(Cl)ccc1O)[C@H](C)c1ccc(C#N)cc1 768512027 GCWNWZBDZOMVNM-CYBMUJFWSA-N 314.816 4.500 30 20 DJED Cc1cc2cc([C@@H](C)NCc3cc(C#N)ccc3F)oc2cc1C 773030307 NHKZVEVWTPFOCI-CQSZACIVSA-N 322.383 4.911 30 20 DJED C#CCCCCCC(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 779833842 KLEIMTLOMMODOD-UHFFFAOYSA-N 322.408 4.741 30 20 DJED CC(C)Oc1ccc(NC2CCC(C(F)F)CC2)cc1C#N 799734544 FTQGCGMNIOEBBT-UHFFFAOYSA-N 308.372 4.581 30 20 DJED C=CCC1(C(=O)[C@H](C#N)c2ccc3ccccc3n2)CCCC1 835040995 HVZWDOGQZHQXIV-MRXNPFEDSA-N 304.393 4.548 30 20 DJED CCCCCCCCC(=O)N[C@H](C)c1cccc(NC(C)=O)c1 913502543 SEXQYKFUOHWTMC-OAHLLOKOSA-N 318.461 4.573 30 20 DJED N#Cc1ccc(-c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cc1 1117243735 YFFNORJMGWNKTK-UHFFFAOYSA-N 316.147 4.582 30 20 DJED Cc1cccc([C@H](C)OC(=O)c2cccc(SCC#N)c2)c1 1127813694 NIGFWVJLDVYCKJ-AWEZNQCLSA-N 311.406 4.529 30 20 DJED CN(C(=O)CC1CCC(C)(C)CC1)c1ccc(C#N)c(Cl)c1 1132213294 DLTBKYAPCIHDGI-UHFFFAOYSA-N 318.848 4.781 30 20 DJED CC[C@H](CSc1ccccc1)Nc1nc(C#N)c(Cl)s1 1162873533 KTNWRWFOXREXDC-SNVBAGLBSA-N 323.874 4.651 30 20 DJED CC(C)c1cccc(COc2nc3c(cc2C#N)CCCCC3)c1 1166706117 LKJZKMHKHCPFEJ-UHFFFAOYSA-N 320.436 4.925 30 20 DJED CC(C)(CCc1ccccc1)NCc1ccccc1C(C)(C)C#N 1167325715 DNVAXJLRZAGZNR-UHFFFAOYSA-N 320.480 4.989 30 20 DJED Cc1nc(NC[C@H](C)c2c(Cl)cccc2Cl)ccc1C#N 1185159815 XWHIORGTSCFSED-JTQLQIEISA-N 320.223 4.784 30 20 DJED N#Cc1cc(Cl)ccc1SCc1csc(C2CC2)n1 1188870506 RXEIDBXFVYRYHO-UHFFFAOYSA-N 306.843 4.838 30 20 DJED CC(C)(C)C[C@H](Nc1cccc(CC#N)n1)c1ccc(F)cc1 1320491067 QEYUTXVJFIVQOO-KRWDZBQOSA-N 311.404 4.876 30 20 DJED Cc1ccc2c(Cl)c(C(=O)O[C@H]3CC[C@H](C#N)C3)sc2c1 1343332201 SSNXWZZEZSZTMM-QWRGUYRKSA-N 319.813 4.712 30 20 DJED CC[C@@H](c1ccccc1)c1nnc(CC2(C#N)CCCCC2)o1 1349989066 ZSYRMLVYDGSAMO-INIZCTEOSA-N 309.413 4.628 30 20 DJED C[C@H](Sc1ncncc1C#N)c1ccc(Cl)c(Cl)c1 1458204373 NDSRXDDKWMYSIM-QMMMGPOBSA-N 310.209 4.508 30 20 DJED C[C@H]1CCC[C@H](C(=O)Nc2cc(C(C)(C)C)sc2C#N)C1 1535487736 BSWLPIFLLHSHLU-RYUDHWBXSA-N 304.459 4.682 30 20 DJED CCN(C(=O)C[C@H]1CCCC[C@@H]1C)c1ccc(C#N)c(Cl)c1 1535606030 VDPXHOUBIBBUGW-UONOGXRCSA-N 318.848 4.781 30 20 DJED CCC(CC)C(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@H](C)CC2 1544833468 VXQYWZAYXKEDLV-MNOVXSKESA-N 304.459 4.680 30 20 DJED C[C@H]1CCN(Cc2ccc(C#N)cc2Cl)[C@@H](c2ccco2)C1 1615647528 BLKWLTVSSUWYCT-SUMWQHHRSA-N 314.816 4.778 30 20 DJED CCCCN(Cc1cccc(F)c1C#N)[C@@H]1CCC[C@H](C)C1 1621360790 MLLREIFZHKTADF-DOTOQJQBSA-N 302.437 4.878 30 20 DJED Cc1ccc(-c2csc(COc3ccccc3C#N)n2)cc1 1643506429 BFKBJFQPDQOLFX-UHFFFAOYSA-N 306.390 4.569 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H]2CC[C@@H](C)C2)n1 1643600778 ZLAGCGIAPHGDCY-SCZZXKLOSA-N 300.349 4.561 30 20 DJED CCN(Cc1cc(F)ccc1Cl)[C@@H](C)c1ccc(C#N)cc1 1653201123 ZRRWNEZMATZZRO-ZDUSSCGKSA-N 316.807 4.934 30 20 DJED CC(C)C[C@@H]1CCCCCN1C(=O)Nc1cc(F)cc(C#N)c1 1674213684 ZOBHPLVHVSZCRV-KRWDZBQOSA-N 317.408 4.520 30 20 DJED CC(=NNc1ccc(F)c(C(=O)O)c1)C1CCC(C(C)C)CC1 1776064207 CXFUDLJALMTFBA-UHFFFAOYSA-N 320.408 4.774 30 20 DJED Cc1ccc(C)c(C(=O)/C=C\c2cc(C(=O)O)c(Cl)s2)c1 1776133656 HRJSXZHEUJPLHY-WAYWQWQTSA-N 320.797 4.613 30 20 DJED O=C(O)c1cccc(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)c1 1777684791 BZYKIKZHFRSSPO-SNAWJCMRSA-N 321.159 4.588 30 20 DJED CCCc1sc(C(=O)[C@@H](C#N)c2nc(C)cs2)cc1CC 41521564 CMMPYUGVPSJSKK-GFCCVEGCSA-N 318.467 4.518 30 20 DJED CCN(C(=O)C[C@@H](C)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 45499257 WTBSZFCAOFGMOW-SJORKVTESA-N 320.436 4.662 30 20 DJED C=CCN(Cc1cccs1)Cc1nc2ccccc2s1 60942728 PBWWATCGNOEFOQ-UHFFFAOYSA-N 300.452 4.546 30 20 DJED C=CCOc1cccc(NC(=O)c2oc3c(C)cccc3c2C)c1 65749670 RQIYBCUYCNCSGB-UHFFFAOYSA-N 321.376 4.867 30 20 DJED C=CCN(CCc1ccccc1)C(=O)c1cc2cc(C)ccc2o1 65776101 GNMUMQZUYKUZCW-UHFFFAOYSA-N 319.404 4.612 30 20 DJED C#CCCCCC(=O)N[C@H](C)c1ccc(SC(C)C)cc1 119804406 KYBXHMBRHZFFOQ-OAHLLOKOSA-N 303.471 4.558 30 20 DJED C=CCCCC(=O)N(Cc1cccnc1)c1ccc(Cl)cc1 175651370 MQSPWRHDWFZLFF-UHFFFAOYSA-N 314.816 4.625 30 20 DJED C=CCC(CC=C)C(=O)N(C)[C@@H](C)c1nc2ccccc2s1 176897262 RTZFBBPATDNQEG-ZDUSSCGKSA-N 314.454 4.584 30 20 DJED C#CCCCCC(=O)N(CC=C)c1nc(-c2ccccc2)cs1 182770821 VFAMPMRBOLOXTD-UHFFFAOYSA-N 324.449 4.523 30 20 DJED Cc1cncc(CSc2ccc(C#N)c(C(F)(F)F)c2)c1 189878541 NVGWDMVGFOQRDB-UHFFFAOYSA-N 308.328 4.573 30 20 DJED O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)Cc2c(O)cccc21 209841168 CYYDJFPUQWNRAH-JLHYYAGUSA-N 320.319 4.614 30 20 DJED CC[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 278667767 IZXIJDISHYZMTP-RDTXWAMCSA-N 323.396 4.577 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCCCC1CCOCC1 279122848 UTCYLTNIYSNPDI-OAHLLOKOSA-N 318.486 4.700 30 20 DJED Cc1cc(C/C(O)=N/[C@@H]2C[C@H]3CCC(C)(C)c4cccc2c43)n[nH]1 329188499 BPRMHPLLGUORAJ-CXAGYDPISA-N 323.440 4.517 30 20 DJED Cc1[nH]nc(C(F)F)c1N=C(O)[C@@H]1CCSc2ccccc21 329719015 ZUJONNUKVCHBCE-SNVBAGLBSA-N 323.368 4.523 30 20 DJED Cc1ccc(Cl)c(N/C(O)=N/[C@@H]2CCO[C@H](CC(C)C)C2)c1 330703090 PPAWZVWMKBRZRP-ZIAGYGMSSA-N 324.852 4.568 30 20 DJED Nc1c(Cl)ccc(/C(O)=N/CCCC2CCCC2)c1Cl 330957502 NPJLLFCYLXRLNK-UHFFFAOYSA-N 315.244 4.851 30 20 DJED C=CCCOCCCCC(=O)N1CCC[C@H](C)c2ccccc21 348191474 GWOWLBAGEOTJRZ-KRWDZBQOSA-N 315.457 4.680 30 20 DJED COc1ccccc1[C@@H]1CCCN1CCCCC(C)(C)C#N 409447348 OTEPLKSYBSNZAF-KRWDZBQOSA-N 300.446 4.552 30 20 DJED COc1cc(CN[C@@H](c2cccc(C)c2)C(C)(C)C)ccc1C#N 440608713 FGUWSDJFWNLLIY-FQEVSTJZSA-N 322.452 4.752 30 20 DJED CC[C@@H](NCCCO[C@@H](C)c1ccccc1)c1ccc(C#N)cc1 447516904 QNSOFZGEDPXRNM-LAUBAEHRSA-N 322.452 4.767 30 20 DJED C[C@H](CC1CCCC1)C(=O)Nc1ccc(CC#N)cc1Cl 452650181 UZLMFYASANFWJK-GFCCVEGCSA-N 304.821 4.561 30 20 DJED C[C@H]1CCCc2ccccc2[C@@H]1NCc1ccc(C#N)cc1F 462535933 CZRNTWYHJUYHMM-VBKZILBWSA-N 308.400 4.501 30 20 DJED C=C[C@](C)(CCOC)C(=O)Nc1cccc(-c2cccs2)c1 467804423 XOKKQHBATJUHRA-GOSISDBHSA-N 315.438 4.582 30 20 DJED C=CCCC(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 470184367 GQAQRVOJWRAMBN-HNNXBMFYSA-N 311.347 4.725 30 20 DJED CCCC[C@@H]1CCC[C@@H]1NC(=O)C[C@@H](CC#N)c1ccccc1 475599351 HNVDKEIUHRYLBG-QRVBRYPASA-N 312.457 4.549 30 20 DJED C=CCCC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 522570543 XFPZUXPVDNOQRY-GOSISDBHSA-N 313.828 4.706 30 20 DJED Cc1ccccc1-c1cnc(CSc2ccc(C#N)cc2F)o1 534527774 RYGXNCGCIZNSIQ-UHFFFAOYSA-N 324.380 4.953 30 20 DJED C=CCC[C@@H](NCC(=O)Nc1cccc(C)c1C)c1ccccc1 537092081 HBIMMBMVPWHOQO-HXUWFJFHSA-N 322.452 4.539 30 20 DJED C[C@H](NCc1csc2ccccc12)c1ccc(C#N)c(F)c1 540707530 HLWAPVFVRIBLNA-LBPRGKRZSA-N 310.397 4.763 30 20 DJED C=C(C)COc1cc(CNc2cccc3cc[nH]c23)ccc1OC 548149659 CQVWVKSORVJPOU-UHFFFAOYSA-N 322.408 4.744 30 20 DJED CC(C)Oc1ccc2nccc(N3CCC(CCC#N)CC3)c2c1 579226010 YBVWOYPIGYZPMT-UHFFFAOYSA-N 323.440 4.542 30 20 DJED CC(C)(C#N)CCCNc1cc(F)c(F)cc1N1CCCCC1 589565719 ZKGLVQVLSRPJKY-UHFFFAOYSA-N 321.415 4.697 30 20 DJED N#CC1(CC(=O)N2CCCCC[C@@H]2c2ccco2)CCCCC1 597275718 KJPJWKBCLXFHPX-MRXNPFEDSA-N 314.429 4.587 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2ncsc2C(C)C)CCCC1(C)C 685116205 JZTKRFDGYPCXND-ZDUSSCGKSA-N 321.490 4.865 30 20 DJED C#Cc1cccc(N(CC)C(=O)c2cc3ccc(F)cc3s2)c1 728480778 KRZLPXUWRZERAV-UHFFFAOYSA-N 323.392 4.688 30 20 DJED CCc1nc2ccccc2n1N=Cc1ccc(OCC(C)C)cc1 730144579 BUPACZHRYFPSSJ-UHFFFAOYSA-N 321.424 4.516 30 20 DJED CC(=NNc1nc2ccccc2s1)c1cc(F)c(F)c(F)c1 730430538 QZSITGFXAIPBSM-UHFFFAOYSA-N 321.327 4.550 30 20 DJED COc1cccc2cc(/C=C3/Cc4ccc(C)cc4C3=O)oc12 730949584 YOEGYLWTWDOQAL-PTNGSMBKSA-N 304.345 4.572 30 20 DJED Cc1ccc(-c2ccc(/C=C/C(=O)c3cncc(F)c3)o2)cc1 737443468 JGPPQNBBHMGCJZ-SOFGYWHQSA-N 307.324 4.685 30 20 DJED O=C(/C=C\c1ccc(O)cc1)c1ccc(SCC(F)F)cc1 741844375 UEKUNLXHUDWFTB-KMKOMSMNSA-N 320.360 4.646 30 20 DJED C[C@H](Nc1ccc(OC2CCC2)c(F)c1)c1ccc(C#N)cc1 748267018 LWBGVMNHKNWQEW-ZDUSSCGKSA-N 310.372 4.802 30 20 DJED Cc1ccc2cc(C(=O)/C=C\c3nc(Cl)cs3)oc2c1 754829381 LKPHDYNEVJHTKF-PLNGDYQASA-N 303.770 4.747 30 20 DJED COc1ccc(/C=C\C(=O)c2cc3ccc(C)cc3o2)cc1C#N 754830048 OZAAUAUSGVAKPO-DAXSKMNVSA-N 317.344 4.518 30 20 DJED C#CCCCC(=O)N(c1ccc2[nH]ccc2c1)[C@@H](C)CC(C)C 758209327 YSVHMWIUYSMIJX-INIZCTEOSA-N 310.441 4.739 30 20 DJED O=C(/C=C/c1cccc(OCc2ccccc2)c1)c1cncs1 776433788 JYQLSAUOAMABLZ-MDZDMXLPSA-N 321.401 4.618 30 20 DJED Cc1cc(C#N)ccc1CON=Cc1cccc(Cl)c1Cl 776742822 KUKSDOYGUXCIMB-UHFFFAOYSA-N 319.191 4.724 30 20 DJED C#CCCCCCC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 779757388 DWXYCOONTQYFNU-OAHLLOKOSA-N 321.873 4.577 30 20 DJED CCOCc1cc(/C=C2\C(=O)c3ccccc3[C@H]2C)ccc1OC 809156306 KRAFSBRTKUNPRD-VCRXTVNUSA-N 322.404 4.615 30 20 DJED C#Cc1ccc(CNc2cccc(-c3nc(C)c(C)o3)c2)cc1 809599249 USLSDNSMFWRZIH-UHFFFAOYSA-N 302.377 4.552 30 20 DJED COc1ccc(C(=O)/C=C\c2csc3ccccc23)c(F)c1 810204076 XZQFLXLGCGBJIL-TWGQIWQCSA-N 312.365 4.945 30 20 DJED C=CCC(F)(F)C(=O)Nc1cccc(Nc2ccccc2)c1 815571418 DFVFPDGSPOCWOA-UHFFFAOYSA-N 302.324 4.580 30 20 DJED CC[C@@H](N[C@@H]1CCSc2ccccc21)c1cccc(C#N)c1 902747234 RRGWTBNVXAKVLF-QZTJIDSGSA-N 308.450 4.836 30 20 DJED CC(=NNc1ccc(F)cc1F)c1sc(C(C)(C)C)nc1C 915109994 KWUKPFAGLQBSLO-UHFFFAOYSA-N 323.412 4.863 30 20 DJED O=C(/C=C\c1ccc(Br)cc1F)c1ccc(F)cc1 916135655 DSBCKZVUFMEXBF-YWEYNIOJSA-N 323.136 4.623 30 20 DJED CCCCCCCC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 917844073 UDCZNSHRZLZTFR-PKOBYXMFSA-N 321.436 4.523 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1cc2c(s1)CCCCCC2 1126997478 QYJAHNCICDRIEE-UHFFFAOYSA-N 324.449 4.840 30 20 DJED CC[C@@H](OC(=O)c1csc(C#N)c1)c1c(F)cccc1Cl 1127133457 YOUCNWRXLWJTIS-CYBMUJFWSA-N 323.776 4.720 30 20 DJED N#Cc1csc(CN[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)c1 1178954518 POKHDQMKIBKHJA-ZBFHGGJFSA-N 316.857 4.699 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CC[C@H](c2ccccc2)C1 1182436246 ZYYGIVCGBPPZTJ-VCOUNFBDSA-N 316.448 4.862 30 20 DJED CC(C)N(CCc1ccccc1Cl)Cc1ccc(C#N)cc1 1190635560 MXIIERIMDWEOPY-UHFFFAOYSA-N 312.844 4.665 30 20 DJED Cc1cc(CN2CCC[C@@H]2c2cccc(Cl)c2)ccc1C#N 1204658803 XZAXNBCJQBUQDM-LJQANCHMSA-N 310.828 4.857 30 20 DJED N#Cc1cc(CN2CCC[C@@H]2c2ccccc2Cl)ccc1F 1205478959 KPPMLOUBVCGVGB-GOSISDBHSA-N 314.791 4.688 30 20 DJED CC[C@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 1264096213 NPBPGBUXOXCFMR-NWDGAFQWSA-N 318.486 4.755 30 20 DJED Cc1ccc(C[C@H](C#N)Sc2nc3ccc(F)cc3o2)cc1 1307400731 ILKZHTKBRTYSNF-CQSZACIVSA-N 312.369 4.502 30 20 DJED Cc1ccc(C)c(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 1307487940 UQWZBWGTEKTDAE-RTWAWAEBSA-N 304.437 4.575 30 20 DJED CC[C@H](C#N)[C@H](OC(=O)[C@@H](F)c1ccccc1)c1cccs1 1343904279 AZVYWVVZSPGEML-KCXAZCMYSA-N 317.385 4.593 30 20 DJED CC[C@@H](C)c1ccc([C@H](NC(=O)CC(C)(C)C#N)C(C)C)cc1 1348940587 UVKLJPYVMQMDFG-DNVCBOLYSA-N 314.473 4.953 30 20 DJED C=C(Br)CN[C@@H](c1ccc(Cl)cc1)C(C)C 1460113176 UOKJBPGPSCKWKW-CYBMUJFWSA-N 302.643 4.535 30 20 DJED Cc1cccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1C 1524039252 CHFPLPVZPLYQML-UHFFFAOYSA-N 312.438 4.786 30 20 DJED C[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCC3(C)C)c2C#N)C1 1530057055 FMWHQJCNLNHJBV-SMDDNHRTSA-N 316.470 4.509 30 20 DJED C[C@H](OC(=O)[C@H](C)c1ccc(Cl)cc1)c1cccc(C#N)c1 1534850334 YTLLYXXNUOTLGS-OLZOCXBDSA-N 313.784 4.620 30 20 DJED C[C@@H](CC(C)(C)C#N)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 1560839104 KJTFCIZBSMSUOT-ZBEGNZNMSA-N 308.828 4.848 30 20 DJED CCN(C(=O)O[C@@H](C)CC(C)C)[C@H](C)c1ccc(C#N)cc1 1561131030 FEBAASJAIAADNX-LSDHHAIUSA-N 302.418 4.512 30 20 DJED C[C@H]1CC(C)(C)CN1C(=O)Nc1scc(C(C)(C)C)c1C#N 1562851268 RESBPXYLPBFVKC-NSHDSACASA-N 319.474 4.570 30 20 DJED CCCCN(Cc1ccc(F)c(C#N)c1)[C@H]1CCC[C@H](C)C1 1645912321 NDPJCEFJKVKLCH-YJBOKZPZSA-N 302.437 4.878 30 20 DJED CCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(C#N)c(C)n1 1650659000 BQLHQNQGVBBRMO-UHFFFAOYSA-N 320.223 4.595 30 20 DJED N#Cc1cccnc1N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 1651939849 QUGXLYRBYPWNDT-RHSMWYFYSA-N 311.816 4.745 30 20 DJED CCC(CC)CN(CCC#N)Cc1cccc(OC)c1Cl 1652630455 NONKHEFOZHFUFU-UHFFFAOYSA-N 308.853 4.500 30 20 DJED Cc1ccc(CC2CCN([C@@H](C)c3cccc(C#N)c3)CC2)cc1 1653859712 YBRSMWVWASCARG-SFHVURJKSA-N 318.464 4.882 30 20 DJED COc1cc(CN[C@H]2CCC[C@H](C(C)(C)C)CC2)ccc1C#N 1656099016 REPDJUHLYONHOW-ROUUACIJSA-N 314.473 4.651 30 20 DJED CCCCc1ccc(C(=O)/C=C\c2cccc(C(=O)O)c2)cc1 1776805915 AWKGAMSJGSJEJT-RAXLEYEMSA-N 308.377 4.624 30 20 DJED CCC(C#N)(CC)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 44765427 MUZPTBOLWXHFIB-UHFFFAOYSA-N 318.726 4.627 30 20 DJED N#Cc1ccc(N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)nc1 52454195 VZPUGORAVWAHFE-OAHLLOKOSA-N 318.207 4.602 30 20 DJED CCOc1ccc(C#N)cc1N[C@H](C)c1ccc(Cl)cc1 63641571 XLMNWONJJSEXOZ-GFCCVEGCSA-N 300.789 4.783 30 20 DJED C=C(C)CN(CC)C(=O)c1cc(-c2ccco2)nc2ccccc12 69668020 YGXJOEVLDXHJSJ-UHFFFAOYSA-N 320.392 4.533 30 20 DJED CCc1sc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc1C 80453543 ZQKYWZODCONTSG-LLVKDONJSA-N 318.467 4.689 30 20 DJED CCCCCCCCC(=O)Nc1ccc(C)c(NC(C)=O)c1 121684592 PKMPYSIWBZPFSF-UHFFFAOYSA-N 304.434 4.643 30 20 DJED Cc1ccc(C)c([C@H]2CCCN2C(=O)Nc2cccc(C#N)c2)c1 127749281 QZTLIBVSSRZHID-LJQANCHMSA-N 319.408 4.544 30 20 DJED CC(C)c1ccc(NC(=O)NCCCCC#N)c(C(C)C)c1 171369302 RNBWUHWKUZYZHQ-UHFFFAOYSA-N 301.434 4.749 30 20 DJED C[C@H](C#N)CSc1ccccc1NCc1cccc(F)c1F 178387507 OWGWJFOWAFWENQ-GFCCVEGCSA-N 318.392 4.829 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1cc(NC(=O)CCC)ccc1Cl 189072206 CRFWQIJOGGIKFV-QGZVFWFLSA-N 322.836 4.619 30 20 DJED CC(C)CCC[C@@H](C)Nc1ccc(C#N)c(Br)c1 228180901 QOVOXVXEHGANHB-GFCCVEGCSA-N 309.251 4.947 30 20 DJED C#CCCOc1ccc(CN[C@H](C)c2cccc(C)c2C)cc1 237513004 YBADQXHZINKXPD-GOSISDBHSA-N 307.437 4.556 30 20 DJED CCCCCc1ccc(NC(=O)N2CCC(C)(C#N)CC2)cc1 272583011 UQHZPOZZJZMCQH-UHFFFAOYSA-N 313.445 4.577 30 20 DJED CCc1cccc2c(C3CCN([C@@H]4CC[C@@H](C#N)C4)CC3)c[nH]c12 293384185 GLYHHBZSQUOZLT-CRAIPNDOSA-N 321.468 4.602 30 20 DJED CCCN(CCCCC#N)[C@H]1C[C@@H](OCC)C12CCCCC2 303841745 BTVQCTKZDLGBAC-ZWKOTPCHSA-N 306.494 4.520 30 20 DJED CCC(CC)CN(CC)Cc1ccc(Br)cc1C#N 311807251 FWWGQIQPTIMSGX-UHFFFAOYSA-N 323.278 4.579 30 20 DJED Cc1ccc(C[C@@H](C)Nc2c(C#N)cnc3ccccc23)s1 316236332 QSWVMZYASKMETD-GFCCVEGCSA-N 307.422 4.520 30 20 DJED C[C@@H]1C[C@@H]1c1ccc(CNc2ccc(C#N)cc2C(F)(F)F)o1 320177992 ZTQAUPOMGYWBBJ-MFKMUULPSA-N 320.314 4.906 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(C)nc(OC)c1 337013159 NZIMLIJKMCQJGN-UHFFFAOYSA-N 324.424 4.503 30 20 DJED CC[C@@H]1CCCC[C@@H]1CNc1ccc(C#N)c(Br)c1 401417258 CXTJIDPQBPJEEF-TZMCWYRMSA-N 321.262 4.949 30 20 DJED N#Cc1cccc(NC(=O)N[C@H](c2ccccc2)C2CCCC2)c1 409741696 QXDHJVIIRFHCEE-LJQANCHMSA-N 319.408 4.611 30 20 DJED Cc1noc(C)c1-c1ccc(OCc2ccc(C#N)cc2F)cc1 432326123 ORAYDLXDMOTVSU-UHFFFAOYSA-N 322.339 4.548 30 20 DJED C=CCC[C@@H](NC(=O)N1CCC[C@@H]1C1CCC1)c1ccccc1 435101094 NHZJWUHYINRCSL-RTBURBONSA-N 312.457 4.668 30 20 DJED CC(C)Cn1cc(N[C@@H](C)c2cccc(C#N)c2)c(C(F)F)n1 435895361 YPJUYMSXMYZMEH-LBPRGKRZSA-N 318.371 4.521 30 20 DJED C=C(C)CN(CC)C(=O)[C@H](C)S[C@@H](C)c1cccc(C)c1 437457773 BCSPJDNHVOWEFP-HOTGVXAUSA-N 305.487 4.602 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 438636083 XBJPHZZSPJNNQX-UHFFFAOYSA-N 320.408 4.577 30 20 DJED CC(C)c1cccc(NC(=O)N[C@H](CCC#N)c2ccccc2)c1 439320450 YJIPLZOEBOWAME-LJQANCHMSA-N 321.424 4.977 30 20 DJED Cc1cc(CSCc2cc(-c3ccco3)on2)ccc1C#N 447417209 KWKRHZFGYPPOOX-UHFFFAOYSA-N 310.378 4.548 30 20 DJED C=CCCC[C@H](C)Sc1nnc(-c2ccc(OC)cc2)o1 462366852 XFBTUNGUCCZHLM-LBPRGKRZSA-N 304.415 4.582 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1ccccc1N1CCCCCC1 466321886 AUKTYDZRKWLDOS-MRXNPFEDSA-N 315.461 4.543 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]1CCC(C)C 473784806 JBBVGVQENYHYQP-KRWDZBQOSA-N 313.445 4.689 30 20 DJED CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 476185545 BESTXKKXUFBVKC-CRAIPNDOSA-N 312.457 4.529 30 20 DJED C=CCC[C@H](C(=O)N1Cc2ccc(C)cc2C1)c1ccccc1 482842123 ZAODFKVXMIWMIO-FQEVSTJZSA-N 305.421 4.587 30 20 DJED C=CC[C@H](C(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 487603252 HMQJYYSNIKPLKU-HNNXBMFYSA-N 310.422 4.535 30 20 DJED CC[C@H](C)CN(CC)C(=O)c1ccccc1-c1ccccc1C#N 490883925 CVYQJQYQMPVWHP-INIZCTEOSA-N 320.436 4.733 30 20 DJED C=C(C)CCc1noc(-c2cccc(-c3ccccn3)c2C)n1 508660975 ISFKTICLJYHLOW-UHFFFAOYSA-N 305.381 4.616 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1cccc2c1CCCC2 515229212 PLYVNEKWWKBMBY-UHFFFAOYSA-N 320.436 4.786 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C(C)(C)C)CC1 531319972 NMRXUJYBBSNCOE-MRXNPFEDSA-N 313.445 4.547 30 20 DJED C=CCC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 540146725 LETODLLGFBQWKT-BEFAXECRSA-N 310.397 4.953 30 20 DJED CSc1ccc(Cl)cc1NCc1ccc(CC#N)cc1 544096661 MVRIPEOZOJFJRT-UHFFFAOYSA-N 302.830 4.740 30 20 DJED C=CCC(CC=C)c1nc(Cc2c(C)[nH]c3ccccc23)no1 544392599 QQNPCZVWMMUQCP-UHFFFAOYSA-N 307.397 4.686 30 20 DJED C=CCC(C)(C)c1noc(Cc2cccc(C(F)(F)F)c2)n1 551137537 ZQJWCTXEALVWFT-UHFFFAOYSA-N 310.319 4.533 30 20 DJED N#Cc1ccc(Cl)c(C(=O)N2CCCC[C@H]2c2ccccc2)c1 552434011 MOUUUWWZOSDAID-SFHVURJKSA-N 324.811 4.579 30 20 DJED C[C@H]1CC[C@@H](c2ccccc2)N(c2nccc(C#N)c2Cl)C1 557737016 NIASXLFSJGPEMB-BBRMVZONSA-N 311.816 4.584 30 20 DJED CC(C)(C#N)Cc1cccc(-c2ccc(O[C@@H]3CCOC3)cc2)c1 592984080 LRBCOGVURGHTLX-HXUWFJFHSA-N 321.420 4.614 30 20 DJED CCCC(C#N)(CCC)NC(=O)c1cc2ccc(F)cc2s1 610777573 ILWMBNBFYFUAAT-UHFFFAOYSA-N 318.417 4.633 30 20 DJED C=C(C)CN(CC)C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 616110553 CABZMRJSPSGJOP-MRXNPFEDSA-N 306.425 4.521 30 20 DJED C=CCC[C@@H](N[C@@H](c1nc[nH]n1)C1CCCCC1)c1ccccc1 638785545 XDDYOJUCCXMRDB-RTBURBONSA-N 324.472 4.723 30 20 DJED C[C@H](C#N)Oc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1 728694840 LAFRQQSSOYGIFZ-RUNBWSAHSA-N 311.768 4.527 30 20 DJED CCSc1ccc([C@H](C)/N=C\c2cccc(OC)c2O)cc1 728785270 BZRRBEOTVHFRSV-QXGSTRBFSA-N 315.438 4.693 30 20 DJED Cc1cc(C)cc(C(=O)/C=C\c2cnc(-c3ccccc3)nc2)c1 730437900 VWFNTVLGWDVKTL-HJWRWDBZSA-N 314.388 4.657 30 20 DJED CCCCCCCCCC(=O)Nc1cccc([S@@](C)=O)c1 732122863 KBFRDJSYOSAUHG-OAQYLSRUSA-N 309.475 4.503 30 20 DJED C#CCOc1ccc(CN[C@H](C)c2ccc3ccccc3c2)cc1 733322778 CSWPDBNZFQNAEF-QGZVFWFLSA-N 315.416 4.703 30 20 DJED CC[C@@H]1CCCC(=NNc2ncnc3sc4c(c23)CCC4)C1 734977376 PRORKJVENFXDCT-LLVKDONJSA-N 314.458 4.548 30 20 DJED CCCCCCCCOCC(=O)Nc1cccc2cnccc12 743297618 UJJHVWJQQFBPEZ-UHFFFAOYSA-N 314.429 4.550 30 20 DJED CC/C(=C/C(=O)Nc1ccc(CC#N)cc1)c1cccc(Cl)c1 744459163 XJECFYPKZXIMAT-SQFISAMPSA-N 324.811 4.838 30 20 DJED CCc1ccc(C(=O)/C=C/c2cnc(-c3cccs3)s2)o1 752237243 CYKRBXYEAWIOQH-VOTSOKGWSA-N 315.419 4.923 30 20 DJED Fc1cccc(Cl)c1C=NOc1ccccc1C(F)(F)F 754711802 BFKHZKSOVXRWAY-UHFFFAOYSA-N 317.669 4.911 30 20 DJED FC(F)(F)c1ccccc1ON=Cc1ccc2ccccc2n1 754724020 MBSWQLRKMDEBOE-UHFFFAOYSA-N 316.282 4.667 30 20 DJED N#CCOc1cccc(N[C@H]2CC=C(c3ccc(F)cc3)CC2)c1 757877429 ZQZUSHLJEQPDLR-SFHVURJKSA-N 322.383 4.776 30 20 DJED C#CCCCC(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 757898819 MPGGGMFZYMNCMS-VQIMIIECSA-N 313.441 4.524 30 20 DJED C#CCCCCNC(=O)Nc1ccc(Oc2ccccc2)cc1C 758600775 ANPCXEDYHZCPPK-UHFFFAOYSA-N 322.408 4.712 30 20 DJED Cc1cc(F)ccc1C(=O)/C=C/c1cnc(C2CCC2)s1 760265483 ORXHYXVVPZKGCT-SOFGYWHQSA-N 301.386 4.754 30 20 DJED Cc1cc(F)ccc1C(=O)/C=C\c1cnc(C2CCC2)s1 760265484 ORXHYXVVPZKGCT-VURMDHGXSA-N 301.386 4.754 30 20 DJED CCCn1nc(C)c(/C=C2\C(=O)c3cccc4c3[C@@H]2CCC4)c1C 763291058 UTQIAHHAWQSBHK-BKAYVGFPSA-N 320.436 4.610 30 20 DJED Cc1cc(Cl)ccc1C[S@](=O)CCCCC(C)(C)C#N 766871798 IFFZHAYCAQIJOS-HXUWFJFHSA-N 311.878 4.617 30 20 DJED Oc1c(Cl)cc(Cl)cc1C=Nc1cc(F)cc(F)c1 769730609 YLZUODFXLUPRNX-UHFFFAOYSA-N 302.107 4.728 30 20 DJED C#CCCCCCC(=O)N1CCC[C@H]1[C@@H](CC)c1ccccc1 780443224 RWLJTVWBXHPZCG-PMACEKPBSA-N 311.469 4.755 30 20 DJED O=C(/C=C/c1cc(-c2ccccc2)cs1)c1ccnc(F)c1 794719713 CKVMCLVAPBVRTJ-VOTSOKGWSA-N 309.365 4.845 30 20 DJED CC(C)(C)c1ccccc1NC(=O)/C=C\c1ccccc1C#N 799601872 ZNMGTIRTSVWQQB-SEYXRHQNSA-N 304.393 4.508 30 20 DJED N#Cc1sc(N[C@@H](c2ccc(F)cc2)C2CCC2)nc1Cl 804431232 MTIHJGHPXDGJAF-CYBMUJFWSA-N 321.808 4.761 30 20 DJED Cc1cc(C)cc(NN=Cc2sc3nc(C)nc(C)c3c2C)c1 874083672 MTJJLNNSIWPOQV-UHFFFAOYSA-N 324.453 4.679 30 20 DJED Cc1ccc(-c2csc([C@H](C#N)C(=O)CC3CCCC3)n2)cc1 916627484 YIJVDAHLTSHNPA-MRXNPFEDSA-N 324.449 4.875 30 20 DJED CC(C)(C)c1n[nH]cc1/C=C\C(=O)c1ccc2ccccc2c1 920063029 RZCXCAZWBQNUSZ-KHPPLWFESA-N 304.393 4.757 30 20 DJED C=C(C)CNC(=S)Nc1cccc(COCCCCCC)c1 920864763 PNXPMCOETIILGB-UHFFFAOYSA-N 320.502 4.646 30 20 DJED CC[C@H](Sc1ccc(C#N)cc1Cl)C(=O)c1ccccc1 1188971072 MULNJUFUEGOFDY-HNNXBMFYSA-N 315.825 4.965 30 20 DJED C[C@H](OC(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1Cl 1271431964 RHQFYZFHABJFOJ-JTQLQIEISA-N 320.175 4.783 30 20 DJED CC1(C)CCCC[C@@H]1CC(=O)Nc1sc2c(c1C#N)CCC2 1354313813 HNLHBTXROCBKQF-GFCCVEGCSA-N 316.470 4.653 30 20 DJED Cc1ccc(SC2(CNc3cccc(C#N)n3)CCCC2)cc1 1458232837 RYWCACGJVMOXTR-UHFFFAOYSA-N 323.465 4.779 30 20 DJED CC[C@@H](CC(=O)Nc1cc(C(C)(C)C)sc1C#N)C(C)C 1458457333 VEFFSEUDYFFSNB-LBPRGKRZSA-N 306.475 4.928 30 20 DJED C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(Cl)cc1C#N 1460821919 ZBOAPMDHXNTDEM-QRWLVFNGSA-N 324.855 4.980 30 20 DJED C[C@@H](CC(=O)N(C)[C@H](C)c1cccc(C#N)c1)CC(C)(C)C 1461078400 KZPSZEKANJLUOO-LSDHHAIUSA-N 300.446 4.540 30 20 DJED CC(C)(C)C1CCC(CC(=O)O[C@@H]2CCC[C@@H](C#N)C2)CC1 1528490641 RCVISIJADSIHLQ-MNAZLIDISA-N 305.462 4.855 30 20 DJED N#Cc1ccc(Oc2cc(C3CC3)nc(C3CC3)n2)c(Cl)c1 1559056570 NCPJDJXKWMQWJS-UHFFFAOYSA-N 311.772 4.549 30 20 DJED N#Cc1cnc(N[C@H](c2ccccc2)C2CCCCC2)c(F)c1 1611798585 YKGVVTSMVNREGK-GOSISDBHSA-N 309.388 4.826 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2cc3c(C)cccc3o2)cc1 1627364913 YPWIAPVSWNZUGK-UHFFFAOYSA-N 318.376 4.610 30 20 DJED CCC[C@@H]1[C@@H](C)CCCN1Cc1cc(Cl)ccc1OCC#N 1642115487 HSZXWMCLKNHZJG-WMLDXEAASA-N 320.864 4.643 30 20 DJED Cc1cc(N2CCCC[C@H]2C)ccc1Nc1ccc(C#N)c(C)n1 1651644308 FPFRBGQWXFHVKQ-OAHLLOKOSA-N 320.440 4.693 30 20 DJED CCc1nc(SCc2ccc(C#N)cc2C)c2ccccc2n1 1652067981 YBFCVXAZUCLLAB-UHFFFAOYSA-N 319.433 4.665 30 20 DJED CCc1ccc([C@@H](NCc2ccc(F)cc2C#N)C(C)C)cc1 1653698902 RIZIVKQNOFIOFW-FQEVSTJZSA-N 310.416 4.747 30 20 DJED C[C@@H](C#N)CNCc1ccccc1Oc1ccc(F)c(Cl)c1 1658141153 UWCZHJZGYKJWQE-LBPRGKRZSA-N 318.779 4.521 30 20 DJED CC[C@@H]1[C@H](C)CCN1C(=O)Nc1scc(C(C)(C)C)c1C#N 1662084822 QKPZWOICFONLSY-BXUZGUMPSA-N 319.474 4.570 30 20 DJED C=C(Cl)Cn1c([C@H](C)CC)nnc1N(CCC(C)C)C1CC1 1705747815 WEBKDPZPQTVBSY-CYBMUJFWSA-N 324.900 4.559 30 20 DJED Cc1cc(/C=C/C(=O)c2cccc(OC(F)F)c2)cc(C)c1O 7713178 NESQKPOACBHHPH-VOTSOKGWSA-N 318.319 4.507 30 20 DJED N#Cc1ccc(CSc2nc3ccc(Cl)cc3[nH]2)c(F)c1 10621630 ZZRSBOKIKYJTPY-UHFFFAOYSA-N 317.776 4.519 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1c(C)cccc1CC 43155920 UBMOLLOGBNYRNK-UHFFFAOYSA-N 308.425 4.778 30 20 DJED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(C)c(C)c1 62368561 BIKSOQAFWHGYOA-UHFFFAOYSA-N 308.425 4.566 30 20 DJED N#Cc1ccccc1CSCc1coc(-c2cccs2)n1 73448880 JUMZPTNAIKRIIY-UHFFFAOYSA-N 312.419 4.708 30 20 DJED CC(C)(C#N)CCCN1CCC[C@H]1c1nc2ccccc2s1 174808867 PNOBKIQYQBWPOT-HNNXBMFYSA-N 313.470 4.763 30 20 DJED CCC[C@@H](Nc1cccc(OCCCC#N)c1)c1cccnc1 186276447 VRAQRRJUWUREHF-LJQANCHMSA-N 309.413 4.717 30 20 DJED Cc1cc(C#N)ccc1CN[C@@H](C)c1cccc(C(F)(F)F)c1 186317657 HKCOTYQRMGDUJN-ZDUSSCGKSA-N 318.342 4.736 30 20 DJED CC(C)CCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CC1 193046566 PRLLPQJSUDRTPX-UHFFFAOYSA-N 313.445 4.530 30 20 DJED CSc1ccc(C)c(N[C@H](C)c2ccc(OCC#N)cc2)c1 272018454 MVUSPNQIDKYQHQ-CQSZACIVSA-N 312.438 4.792 30 20 DJED COc1ccc(/C=C/c2nc3cc(C)ccc3s2)cc1C#N 303862498 GUGOCNHMGJMTPU-VMPITWQZSA-N 306.390 4.655 30 20 DJED CCCCCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 324825633 AUOUKNTZTRDDDI-KRWDZBQOSA-N 322.452 4.978 30 20 DJED C=CCC[C@H](NCc1cc(C)no1)c1ccc(C(F)(F)F)cc1 342192828 LZDDCLOXZNTQFA-INIZCTEOSA-N 324.346 4.799 30 20 DJED CCCCCCCN[C@@H](C)c1ncc(Br)s1 381552648 NHWHZNPCNNOHOJ-JTQLQIEISA-N 305.285 4.527 30 20 DJED C=CCC[C@@H](NC(=O)Nc1ccc(OC)cc1)c1ccccc1 435141166 MYCILEOLAZYJIZ-GOSISDBHSA-N 310.397 4.524 30 20 DJED CC(C)CCC[C@@H](C)NC(=O)N[C@H](CCC#N)c1ccccc1 438840139 MVYOMDGCJJTNOE-SJLPKXTDSA-N 315.461 4.545 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@@H](c2cccc(F)c2)C2CCCC2)C1 463247108 UWSANVYQVLVENJ-MDASCCDHSA-N 300.421 4.729 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1cscc1-c1ccccc1 463592655 FGBSKBWIPJXZLD-UHFFFAOYSA-N 318.401 4.848 30 20 DJED C=C(C)CN(CC)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C 466153678 RBVHJIFWHVQMFM-KBRIMQKVSA-N 320.864 4.645 30 20 DJED C=CCCN(C)C(=O)N[C@H](c1oc2ccccc2c1C)C(C)C 467107655 SOZZDXHYHSQPBX-KRWDZBQOSA-N 314.429 4.656 30 20 DJED CCCC1(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CCC1 469480504 VQRGOUQFUDEPDO-AWEZNQCLSA-N 316.470 4.847 30 20 DJED Cc1c([C@@H](C)NCc2cccc(C#N)c2F)oc2ccccc12 484366242 AILMHBLUPPMQPS-CYBMUJFWSA-N 308.356 4.603 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1cc2cc(F)ccc2[nH]1 484889831 MXUBMYZIWGNODL-UHFFFAOYSA-N 314.404 4.516 30 20 DJED CC(C)[C@@H](C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 498111555 KDHWGYCHOMABPR-CQSZACIVSA-N 308.381 4.581 30 20 DJED COc1cc(C#N)ccc1CNc1ccccc1OC1CCCC1 500851005 DZOCHGSAADIEFR-UHFFFAOYSA-N 322.408 4.500 30 20 DJED CC(C)[C@H](NCc1cc(C#N)n(C)c1)c1ccc(C(C)(C)C)cc1 509405497 TXFIKBUMNCHKBJ-FQEVSTJZSA-N 323.484 4.681 30 20 DJED N#CCc1ccccc1NC(=O)CCCCCc1cccs1 514886064 CTEJRPUBUKZDNY-UHFFFAOYSA-N 312.438 4.556 30 20 DJED C=C(C)CN(CC)C(=O)[C@@H](C)S[C@H](CC)c1ccc(F)cc1 523391867 OWPHVTPWFKMQIS-RHSMWYFYSA-N 323.477 4.823 30 20 DJED Cc1ccc(C)c(N(C(=O)CCc2ccc(C#N)cc2)C(C)C)c1 524468921 UTLSEVYNOZUUER-UHFFFAOYSA-N 320.436 4.549 30 20 DJED N#Cc1ccc(SCc2cc(F)ccc2C#N)c(Cl)c1 533176927 HVLQVJLTXXJZTR-UHFFFAOYSA-N 302.761 4.515 30 20 DJED CSc1ccc(N[C@@H](C)CC2(C#N)CCOCC2)cc1Cl 602493549 CAZOFGUUZUKHNM-LBPRGKRZSA-N 324.877 4.573 30 20 DJED C=CCCCCCN(C)C(=O)c1ccnc(Oc2ccccc2)c1 606813780 CBULFCSOHLYHAX-UHFFFAOYSA-N 324.424 4.692 30 20 DJED CCCN(C(=O)c1ccc(Cl)o1)c1cc(Cl)ccc1C#N 609286137 LHZPAKJJCVYQSE-UHFFFAOYSA-N 323.179 4.515 30 20 DJED N#CCCCOc1cccc(NCc2nccc3ccccc23)c1 610137463 NQHXXTSCQVJGAG-UHFFFAOYSA-N 317.392 4.529 30 20 DJED CCc1ccc([C@H](CC)N[C@H]2CCc3cc(C#N)ccc32)cc1 618803041 GRCYZNIGAOHKEB-SFTDATJTSA-N 304.437 4.849 30 20 DJED CC(=NNc1cnc2ccccc2n1)c1ccc2ccccc2c1 727258383 HFDULEBROGQAMB-UHFFFAOYSA-N 312.376 4.619 30 20 DJED O=C(/C=C/c1ccccc1C(F)(F)F)c1ccc2c(c1)COC2 742437479 UTRMYPJTHGBHPY-BQYQJAHWSA-N 318.294 4.632 30 20 DJED CC(=NNc1oc(CC(C)C)nc1C#N)c1ccc(C(C)C)cc1 745613305 DPWKTYJIZIWOJN-UHFFFAOYSA-N 324.428 4.704 30 20 DJED FC(F)(F)c1ccccc1ON=Cc1coc2ccccc12 754710534 UDPSJKUGHYLYRB-UHFFFAOYSA-N 305.255 4.865 30 20 DJED C/C(=C\c1ccccc1)CN(C)Cc1ccc(O[C@H](C)C#N)cc1 756120484 IXYOKFHKGDGDRJ-VJSYINPZSA-N 320.436 4.513 30 20 DJED N#Cc1c(F)ccc(/C=C/C(=O)c2ccc(F)cc2F)c1Cl 761475457 DJISVIFGYXLYKY-QHHAFSJGSA-N 321.685 4.525 30 20 DJED CCCCCCCCOCc1nc([C@@H]2CCCCS2)no1 762385392 MPPQAUJUWWWQFR-AWEZNQCLSA-N 312.479 4.905 30 20 DJED C#C[C@H](C)N(C)C(=O)Nc1ccc(Sc2ccccc2)cc1C 770267502 YLQKQCLGJDEYKB-HNNXBMFYSA-N 324.449 4.632 30 20 DJED CC(=NNc1ccc(C(C)(C)C)cc1)c1sc(C)nc1C 779825539 XCPDUONUJJCFLX-UHFFFAOYSA-N 301.459 4.894 30 20 DJED CCc1cccc(Cl)c1C=NNCc1ccc(Cl)cc1 788717844 DMFDIQGDQDMHPF-UHFFFAOYSA-N 307.224 4.680 30 20 DJED C=CC[C@H](NC/C(C)=C/c1ccccc1COC)c1ccncc1 814293083 DORSOCQKFXKATN-UEBLJOKOSA-N 322.452 4.538 30 20 DJED C=CCn1c(SCc2ccc(Cl)nc2)nc2ccccc21 817855479 VMFBCEKSSHYQNK-UHFFFAOYSA-N 315.829 4.563 30 20 DJED CC(C)=CCOc1ccc(CCC(C)=NNc2ccccn2)cc1 920364973 LMSULXQLWQNOLC-UHFFFAOYSA-N 323.440 4.847 30 20 DJED CCc1ccc([C@@H](C)CC(=O)N(CCC#N)C(C)(C)CC)cc1 1128304020 BXGLPOLVCVCVMJ-INIZCTEOSA-N 314.473 4.673 30 20 DJED CC[C@H](C)c1ccc(C(=O)Nc2ccc(C#N)cc2C(C)=O)cc1 1129071039 IDZKKBMRANQYEF-ZDUSSCGKSA-N 320.392 4.527 30 20 DJED C=C(Cl)CN[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 1168466768 PKGJSWXHXTVXHJ-AWEZNQCLSA-N 319.807 4.808 30 20 DJED CC(C)(C)[C@H]1CCC[C@@H](NCc2cccc(F)c2C#N)CC1 1180934679 IKJCNHWBYAJJNE-JKSUJKDBSA-N 302.437 4.782 30 20 DJED CC[C@@H](Nc1nccc(Oc2cccc(C#N)c2)n1)C1CCCC1 1307116490 JNLBIRNPODLSRR-QGZVFWFLSA-N 322.412 4.521 30 20 DJED C[C@@H]1C[C@@H](NCc2cccc(F)c2C#N)C[C@H](c2ccccc2)C1 1308816372 QYWIZTHSSMPRDH-KFKAGJAMSA-N 322.427 4.759 30 20 DJED CCc1ccc([C@@H](NC(=O)Nc2cccc(C#N)c2)C(C)C)cc1 1310075866 ANCPXOXBPGNPDV-IBGZPJMESA-N 321.424 4.639 30 20 DJED Cc1cc(F)cc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1 1436552750 NVPDDGKRZZCWPV-UHFFFAOYSA-N 316.401 4.617 30 20 DJED Cc1ccnc(N[C@@H](c2ccc(F)cc2)C2CCCC2)c1C#N 1458164545 KRZSRBZNGPVXON-GOSISDBHSA-N 309.388 4.744 30 20 DJED CC(C)CC[C@H]1CCC[C@@H]1NC(=O)CC1(C#N)CCCCC1 1520534476 YXTKLSCUOVHXSL-SJORKVTESA-N 304.478 4.572 30 20 DJED Cc1ccc(C)c([C@@H](C)OC(=O)C[C@H](CC#N)c2ccccc2)c1 1536164809 PSUCJZJQDDRDCP-MJGOQNOKSA-N 321.420 4.995 30 20 DJED CCCC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 1562110412 MCKSXWCDTLXVFP-BLLLJJGKSA-N 319.836 4.692 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)C[C@H]1CCCC[C@H]1C 1565799337 YNQGIDHRORDAKQ-GDBMZVCRSA-N 313.445 4.535 30 20 DJED C[C@@H](NC(=O)c1ccccc1CC(C)(C)C)c1cccc(C#N)c1 1584319968 BRAFUFCYYLRPNO-OAHLLOKOSA-N 320.436 4.638 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@@H]1CNc1nc(C#N)c(Cl)s1 1611905674 OGQQLXHBNMKRAW-GHMZBOCLSA-N 311.882 4.933 30 20 DJED CC[C@@H](C)N(CCc1ccccc1F)Cc1ccc(C#N)c(C)c1 1621182652 JRFNDKWFGDGSSI-QGZVFWFLSA-N 324.443 4.849 30 20 DJED N#Cc1cccc(OCCN2CCCCC[C@H]2c2ccccc2)c1 1641653372 NVDCFMUNWRIJRA-NRFANRHFSA-N 320.436 4.554 30 20 DJED Cc1cccc2nc(N[C@H]3CCCc4cc(C#N)ccc43)sc12 1651155522 JOCWKXNKVBGLNB-INIZCTEOSA-N 319.433 4.966 30 20 DJED COc1ccc(CSc2ccc(C#N)cc2F)cc1Cl 1656304582 MFIHQSUQAHGXIY-UHFFFAOYSA-N 307.777 4.652 30 20 DJED CC(C)(C)C[C@H](NCc1ccc(F)cc1C#N)c1ccccc1 1657976582 RVODLDJQYLDCMB-IBGZPJMESA-N 310.416 4.964 30 20 DJED CC(C)c1ccc2c(c1)C(=O)/C(=C\c1ccc(C(=O)O)cc1)CC2 1776374601 FSHFMBASVKIQFP-WQRHYEAKSA-N 320.388 4.721 30 20 DJED CC(C)c1ccc(S[C@H](C)C(=O)Nc2ccccc2C#N)cc1 27682782 HMQKJJQXBKEYLK-CQSZACIVSA-N 324.449 4.801 30 20 DJED C[C@@H](NCc1cccc(C#N)c1)c1cc(Cl)ccc1Cl 37748670 QSRDPWYYFHWXLE-LLVKDONJSA-N 305.208 4.716 30 20 DJED C=CCN(CC=C)C(=O)Nc1cccc(-c2ccccc2OC)c1 111774529 GNTJYRUTZLNBID-UHFFFAOYSA-N 322.408 4.568 30 20 DJED Cc1nn(-c2ccccc2)c(Cl)c1CSCCCCC#N 161735315 MNKTVHSMAUUIJU-UHFFFAOYSA-N 319.861 4.761 30 20 DJED CC[C@@H](CC(=O)[C@@H](C#N)c1nc2ccccc2o1)c1ccccc1 171482352 QKBWEXPGGLZJDL-GOEBONIOSA-N 318.376 4.588 30 20 DJED COc1cc(CSc2ccccc2C#N)ccc1SC 173709270 FJGAUTUYKXSYJY-UHFFFAOYSA-N 301.436 4.581 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)C/C=C/c2ccccc2F)cc1 175388672 GJDUBDKXNDJZCC-FNORWQNLSA-N 322.383 4.669 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCc1cccc(F)c1F 178391402 QLDFIUKQCWIJNR-LBPRGKRZSA-N 318.392 4.971 30 20 DJED CC(C)(C#N)c1ccccc1COc1ccc([C@@H]2CCOC2)cc1 190280560 JZNWADPGBSMAIB-QGZVFWFLSA-N 321.420 4.571 30 20 DJED N#Cc1cnc2ccccc2c1N[C@H]1CCCc2sccc21 301183285 NZPHQWQZYFXIFQ-INIZCTEOSA-N 305.406 4.657 30 20 DJED C=CCCC[C@H](C)NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 409896500 KCRBCLTUZMJMSB-QWHCGFSZSA-N 313.363 4.670 30 20 DJED CCCC[C@H](C)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 409994483 SUZXMLMRWUPQHZ-GXFFZTMASA-N 313.228 4.501 30 20 DJED CC(C)(C)c1csc(NC(=O)CCc2cccs2)c1C#N 410923278 BMBUBRFMPURTJU-UHFFFAOYSA-N 318.467 4.550 30 20 DJED N#CC1(CC[S@](=O)[C@H]2CCCc3ccccc32)CCCCC1 414237467 BDUWCMWCUAEPPG-AVRDEDQJSA-N 315.482 4.677 30 20 DJED N#CC1(CSCc2cc(-c3ccccc3Cl)on2)CCC1 419583307 OCXUZAXUPVOJQL-UHFFFAOYSA-N 318.829 4.922 30 20 DJED CCCCCOc1ccc([C@H](C)NCC2(CC#N)CC2)cc1 430763077 PFYUCUMAPZCDBD-INIZCTEOSA-N 300.446 4.600 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1ccc(CCC(F)(F)F)cc1 439454174 QUVODDLOKIEUSV-CYBMUJFWSA-N 314.351 4.658 30 20 DJED N#Cc1cccc(/C=C\c2nc(-c3cc4ccccc4o3)no2)c1 445663276 GLIAZFUQKQDOOF-HJWRWDBZSA-N 313.316 4.525 30 20 DJED C=CCC1(C(=O)Nc2cccc(-c3nc(C)co3)c2)CCCC1 450119092 WSGAFTOXLMPEOW-UHFFFAOYSA-N 310.397 4.725 30 20 DJED N#Cc1ccc(/C=C\c2ccc(Br)cc2Cl)nc1 463040332 VTPOPOPZTOBQDS-UTCJRWHESA-N 319.589 4.540 30 20 DJED C[C@@H]1CCC[C@H](CC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 464934770 DVUWVPVMGZDRLJ-UMGGQSCQSA-N 324.468 4.501 30 20 DJED CC(C)c1ccc(C(=O)N(CC#N)c2ccccc2)cc1Cl 467940130 WJBSHZIYULZTBV-UHFFFAOYSA-N 312.800 4.634 30 20 DJED CC(C)(C#N)c1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 474408108 AYRYEPXPMQPZHQ-SZVBFZGTSA-N 324.468 4.576 30 20 DJED CC(C)(C#N)c1ccc(C(=O)Nc2cccc3ccsc23)cc1 476490286 JJAYBKJBPXRRCP-UHFFFAOYSA-N 320.417 4.955 30 20 DJED C=CCC1(C(=O)Nc2ccc(Oc3ccccn3)cc2)CCC1 479080713 WZMOWCCQLHNVOG-UHFFFAOYSA-N 308.381 4.559 30 20 DJED C=CCN[C@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 486151697 VHNWOZZALNACJP-KRWDZBQOSA-N 321.342 4.579 30 20 DJED C=CCC[C@H](C(=O)N(C)Cc1ccccc1F)c1ccccc1 487610534 SKZLMMJHWUGESR-SFHVURJKSA-N 311.400 4.534 30 20 DJED C=CC[C@H](C(=O)Nc1nc2ccccc2s1)c1ccccc1 487648958 RVLVVHSKLHKREA-AWEZNQCLSA-N 308.406 4.595 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1cccc(OC2CCCC2)c1 487854178 FFDVSLNGDKAHPJ-MRXNPFEDSA-N 314.429 4.580 30 20 DJED CC(C)(C#N)c1ccccc1COc1ccc(C#N)cc1Cl 488547390 JBHSGGFLGOAJGR-UHFFFAOYSA-N 310.784 4.592 30 20 DJED C=C[C@H]1CCCCN1C(=O)CC1(CSc2ccccc2)CC1 488813013 GMCHJFIPAQDABZ-INIZCTEOSA-N 315.482 4.516 30 20 DJED CCCC[C@@H](CC)CNC(=O)Nc1ccc(C(C)(C)C#N)cc1 514514423 MOVQTSWAAJTOKQ-OAHLLOKOSA-N 315.461 4.826 30 20 DJED C=CC[C@H](C)NC(=O)Nc1cccc(COC2CCCCC2)c1 522652881 HPUUWJCSOVXDKN-HNNXBMFYSA-N 316.445 4.622 30 20 DJED C=C(C)COc1cc(CNc2ccc(CC)cc2)ccc1OC 524459303 SIFGUCGNQKTKCY-UHFFFAOYSA-N 311.425 4.825 30 20 DJED C[C@H](N[C@H]1c2ccccc2CC[C@H]1C)c1ccc(C#N)c(F)c1 540918337 ZHLZCRTXFGWCNL-LAPQFRIASA-N 308.400 4.672 30 20 DJED C=CCC[C@H](Nc1cn(-c2ccccc2)nc1C)c1ccco1 552067004 XVODRBYOPQGXAG-KRWDZBQOSA-N 307.397 4.893 30 20 DJED N#C[C@H]1CC[C@@H](N2CC=C(c3cccc4ccccc34)CC2)C1 555334431 WIDHVALTUFEFQE-QFBILLFUSA-N 302.421 4.621 30 20 DJED C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 573843637 VKKLSQATMBQNHZ-XQQFMLRXSA-N 319.836 4.641 30 20 DJED CC(=O)c1cc(NCc2ccccc2C(C)(C)C#N)ccc1C 580212369 JIBRAZYIFBQILP-UHFFFAOYSA-N 306.409 4.611 30 20 DJED C[C@H](CCC#N)CNc1ccccc1SCC(F)(F)F 602489461 LZLVXSMTWOLDLA-LLVKDONJSA-N 302.365 4.693 30 20 DJED C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(C)c1C 604670151 XKJUVLZGDGJZSK-SFHVURJKSA-N 322.452 4.762 30 20 DJED Cc1ccc2c(Cl)c(C(=O)N(CCC#N)C(C)C)sc2c1 609170739 VIOQUXADPDTRSA-UHFFFAOYSA-N 320.845 4.627 30 20 DJED C=C(CN[C@H](c1ccc2nc(O)oc2c1)C(C)C)c1ccccc1 678687323 WPRZUQMCRGKBGR-IBGZPJMESA-N 322.408 4.534 30 20 DJED C=CC[C@@H](NC(=O)C1CCC(CCCC)CC1)c1ccncc1 734235774 NMCHKTMTSXFXTG-NKELODKYSA-N 314.473 4.812 30 20 DJED O=C(/C=C\c1ccc(Cl)nc1)c1cc(Cl)sc1Cl 748998607 MXMLMVHZHDAZMR-IWQZZHSRSA-N 318.612 4.999 30 20 DJED CC(=O)Nc1ccc(/C=C\C(=O)c2cc3ccc(C)cc3o2)cc1 754823948 GYFSJECPTBCJGN-POHAHGRESA-N 319.360 4.596 30 20 DJED Cc1ccc2cc(C(=O)/C=C\c3cnc4cccc(C)n34)oc2c1 754828713 HUHNDXLUJQPROC-HJWRWDBZSA-N 316.360 4.593 30 20 DJED C#CC[C@@H](NC(=O)Nc1ccccc1C(C)C)c1ccccc1 757762374 OZTDZESHSOXDOY-GOSISDBHSA-N 306.409 4.696 30 20 DJED CC(C)n1cc(/C=C2/Cc3cc(Cl)cc(Cl)c3C2=O)cn1 764432108 JPNDBTULYUEQTF-BASWHVEKSA-N 321.207 4.593 30 20 DJED CC(CCc1ccsc1)=NNc1nc2ccccc2s1 764890835 CRAITMBYDDDLQT-UHFFFAOYSA-N 301.440 4.778 30 20 DJED CCc1ccc([C@H](C)C(=O)OCCCCC(C)(C)C#N)cc1 768675351 AFIYAPPEKGCONV-HNNXBMFYSA-N 301.430 4.616 30 20 DJED N#Cc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)c(Cl)c1 768896517 JKGUVWYFPAUYBP-XBXARRHUSA-N 317.175 4.517 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2cc3ccccc3s2)cc1F 776728067 CICMPCQHRXNRHE-FPLPWBNLSA-N 307.349 4.808 30 20 DJED C=CCC[C@H](C(=O)Nc1cccc(OC)c1F)c1ccccc1 777792661 JTMIZNWIKJNYKB-HNNXBMFYSA-N 313.372 4.523 30 20 DJED C#Cc1cccc(NC(=O)N[C@H](C)c2oc3ccccc3c2C)c1 790611461 SUKJLQNQOAWBQB-CQSZACIVSA-N 318.376 4.605 30 20 DJED CCCCCCCCCC(=O)[C@@H](C#N)c1cnc2ccccc2n1 792107684 HDMHQFUFJHHZLY-INIZCTEOSA-N 323.440 4.947 30 20 DJED CCCCCCCCCCC(=O)N1CCC2(CCOCC2)CC1 793486215 SYCSOWQMEAIXRO-UHFFFAOYSA-N 323.521 4.936 30 20 DJED C=CCCCCC[C@@H](C)Nc1ccc(N2CCOC2=O)cc1 793551171 XMMYOEMOJGJBCV-OAHLLOKOSA-N 302.418 4.580 30 20 DJED CCCCCCCCCN(C)C(=O)C(C)(C)c1c(C)noc1C 797437701 VSCIUJQRHFWAMY-UHFFFAOYSA-N 322.493 4.778 30 20 DJED C#CCCCCCC(=O)N(CC)c1ccc(C(F)(F)F)cc1 801075838 MVYYLXMHXPHRDI-UHFFFAOYSA-N 311.347 4.642 30 20 DJED C#CCCCS[C@H](C)C(=O)Nc1ccccc1[C@H](C)CC 808363548 KOJJLPVZHSZHBI-HUUCEWRRSA-N 303.471 4.674 30 20 DJED CCCCCCCCC[C@@H](C)CC(=O)N1CCC[C@@H](O)CC1 819318821 UXPBAENJDUMVRY-QZTJIDSGSA-N 311.510 4.527 30 20 DJED CC(C)(C#N)CCOC(=O)c1c(Cl)cc(Cl)cc1Cl 837855518 AEFDYTWGYZPJFO-UHFFFAOYSA-N 320.603 4.743 30 20 DJED CC(C)=CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 916057114 LINZKQGZASLFNJ-KRWDZBQOSA-N 324.811 4.900 30 20 DJED Fc1cc(-c2cccs2)ccc1C=NNCc1ccccc1 917540815 VLDAFIQMPQJFSS-UHFFFAOYSA-N 310.397 4.678 30 20 DJED CCCCCCCC(=O)OCc1cc(=O)oc2cc(C)ccc12 919222118 HXJQXIDGXWSJKG-UHFFFAOYSA-N 316.397 4.505 30 20 DJED COc1ccc2cc(C=NN[C@H](C)c3ccccc3)ccc2c1 920386105 QCEIVLKTRYYXLU-OAHLLOKOSA-N 304.393 4.533 30 20 DJED C=CCn1cnnc1S[C@@H](C)c1ccc(C(C)(C)C)cc1 1115926530 UVQMBNAXQQPDGC-ZDUSSCGKSA-N 301.459 4.615 30 20 DJED CN(Cc1ccc(F)c(C#N)c1)C1CCC(C(C)(C)C)CC1 1167227573 TYEGQTHGHFCPMK-UHFFFAOYSA-N 302.437 4.734 30 20 DJED Cc1cc(CN[C@H]2C[C@H](c3ccccc3Cl)C2)ccc1C#N 1178827716 SLACUVJTNKGMJA-QAQDUYKDSA-N 310.828 4.556 30 20 DJED C[C@@H]1CCCC[C@H]1Sc1nc(C(F)(F)F)ccc1C#N 1189166419 NQJXOONSQZOMNY-MWLCHTKSSA-N 300.349 4.643 30 20 DJED CCCCN(C(=O)c1cccc(C#N)c1C)[C@H]1CCC[C@H](C)C1 1274266571 MJIKIAVHBBFXBY-YJBOKZPZSA-N 312.457 4.688 30 20 DJED CC(C)CCC[C@H](C)NC(=O)Nc1ccc(C#N)cc1Cl 1310423934 QNOGUYDFZMWMIH-LBPRGKRZSA-N 307.825 4.548 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCCC1(C)C 1353036933 XAOPYOHNQYVUMU-GOSISDBHSA-N 312.457 4.513 30 20 DJED C[C@@H](OC(=O)c1ccc2sccc2c1)c1ccc(C#N)cc1 1354917858 FVEIQVNBBNNTLW-GFCCVEGCSA-N 307.374 4.691 30 20 DJED Cc1ccc(C#N)c(N2CCC[C@H](CCCc3ccccc3)C2)n1 1458259678 BXXWQLGRHCRMJI-IBGZPJMESA-N 319.452 4.501 30 20 DJED Cc1cc(S[C@@H](C)C(=O)c2cccc(Cl)c2)ccc1C#N 1459143804 VNICMHOOWRBKQF-LBPRGKRZSA-N 315.825 4.884 30 20 DJED CSc1ccc([C@H](C)OC(=O)c2cccc(C#N)c2C)cc1 1523771856 DDSOATGIOSIEAU-ZDUSSCGKSA-N 311.406 4.507 30 20 DJED Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1C#N 1534033444 PTSLVXYPGMIRLN-UHFFFAOYSA-N 320.323 4.518 30 20 DJED Cc1cc(NC(=O)[C@@H](CC#N)c2ccccc2)cc(C)c1Cl 1539605569 WJJAWMMJXMTUAA-INIZCTEOSA-N 312.800 4.593 30 20 DJED CC(C)CCC[C@H](C)N(CCC(C)C)C(=O)c1ccc(C#N)[nH]1 1544979612 NYYMCBQFJMSJKF-INIZCTEOSA-N 317.477 4.589 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)C[C@H]1C[C@@H]1c1ccccc1 1560679287 IQDVVFDBCZUQFQ-FGZHOGPDSA-N 318.464 4.820 30 20 DJED CN(C(=O)CCC1CCCCCC1)c1ccc(C#N)c(Cl)c1 1587821166 IRUJKNPPHMPUDU-UHFFFAOYSA-N 318.848 4.925 30 20 DJED Cc1cc(N[C@H](C)CC(C)C)n2c(nc3ccccc32)c1C#N 1612167656 KPJSWTBIRQLUKC-CQSZACIVSA-N 306.413 4.514 30 20 DJED CCC(CC)CN(CCC#N)Cc1ccc(OC)c(Cl)c1 1615744865 ZILSQRZAVZCYFF-UHFFFAOYSA-N 308.853 4.500 30 20 DJED C=C(Br)CN(CC(C)C)[C@@H](C)c1ccccc1C 1617887301 FFODUOKXIWEUOE-HNNXBMFYSA-N 310.279 4.923 30 20 DJED C/C(=C/c1ccccc1)CNc1cc(C#N)ccc1OC(C)C 1620962758 QZKVJSPYZZWAAV-WJDWOHSUSA-N 306.409 4.861 30 20 DJED Cc1nc(NCC(C)(C)Cc2cccc(Cl)c2)ccc1C#N 1639646534 NJKYAFFICMDLKE-UHFFFAOYSA-N 313.832 4.596 30 20 DJED CCCCN(Cc1ccccc1F)Cc1cccc(C#N)c1F 1641675445 LREBPDZLSPDMLK-UHFFFAOYSA-N 314.379 4.639 30 20 DJED N#CCC1(CNC2(c3ccc(C(F)(F)F)cc3)CCCC2)CC1 1642685200 ONLHTMARAODCJW-UHFFFAOYSA-N 322.374 4.758 30 20 DJED COc1ccc(C)cc1CSCc1ccc(C#N)cc1Cl 1652726868 JROSDAQKZOQKQS-UHFFFAOYSA-N 317.841 4.962 30 20 DJED N#Cc1cccc(NC(=O)NC2CCC3(CCCCC3)CC2)c1 1658029374 RPXBNLOINIIPQW-UHFFFAOYSA-N 311.429 4.573 30 20 DJED N#Cc1ccc(CNC[C@@H]2CCCC[C@@H]2c2ccccc2)cc1F 1659227162 JJJQAKHLUMVQGD-VQTJNVASSA-N 322.427 4.761 30 20 DJED N#C[C@@H]1CC[C@@H](N[C@@H](c2ccc(F)cc2)C2CCCCC2)C1 1659841918 XDQSRWDHPWUSIF-NIKGAXFTSA-N 300.421 4.729 30 20 DJED N#CCc1cccc(NCc2ccc(OC(F)F)c(Cl)c2)c1 1662473614 DVPLVLISMMPOLE-UHFFFAOYSA-N 322.742 4.620 30 20 DJED C[C@@H](N(C)C(=O)Nc1scc(C(C)(C)C)c1C#N)C1(C)CC1 1670294172 IQIKZZLRMHLZAD-LLVKDONJSA-N 319.474 4.570 30 20 DJED C=C(CNC(=O)Nc1ccc(C)c(OC(C)C)c1)c1ccccc1 1670876716 HMAMCZNYRGNBQW-UHFFFAOYSA-N 324.424 4.617 30 20 DJED CCC[C@H](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N 108237841 RCYDZAUUHVMOKG-KBPBESRZSA-N 304.459 4.703 30 20 DJED Cc1ccc(CN[C@H](C)c2ccc(C#N)cc2)c(OC(C)C)c1 126003372 NVCIAXNKVNOPGW-MRXNPFEDSA-N 308.425 4.505 30 20 DJED N#CCCCCN1CCC(Sc2ccc(Cl)cc2)CC1 134855740 DHHNYXOHKIYNSE-UHFFFAOYSA-N 308.878 4.590 30 20 DJED N#Cc1csc(CNc2cccc(C3SCCS3)c2)c1 158323366 MVNRIPHCUDNTSY-UHFFFAOYSA-N 318.492 4.710 30 20 DJED C=CCC(CC=C)C(=O)N(Cc1ccccn1)c1ccc(F)cc1 160163375 CJQBOZNYPDLHRU-UHFFFAOYSA-N 324.399 4.522 30 20 DJED C[C@H](CCc1ccccc1F)Nc1ccccc1O[C@H](C)C#N 162270936 OMOXRGSHXJIUCO-HUUCEWRRSA-N 312.388 4.550 30 20 DJED Cc1nc(C)c([C@H](C)Nc2cccc(OCCCC#N)c2)s1 170972999 CUNCIEFSTFCVOZ-ZDUSSCGKSA-N 315.442 4.616 30 20 DJED C[C@@H](Nc1cccc(OCCCC#N)c1)c1cccnc1Cl 179821713 IGNSJXSHBJYBTI-CYBMUJFWSA-N 315.804 4.591 30 20 DJED C[C@@H]1C[C@H]1[C@@H](NCc1ccc(C#N)s1)c1ccc(Cl)cc1 247335930 NFCAKUBDMMUVLM-LQAWEQHXSA-N 316.857 4.760 30 20 DJED CC(=NOCc1csc(C2CC2)n1)c1cc2ccccc2o1 255914872 MTLDOZLRVDPYTH-UHFFFAOYSA-N 312.394 4.708 30 20 DJED CC(C)(C#N)c1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 301085426 KNQFPOQLSGBVKU-UHFFFAOYSA-N 305.303 4.645 30 20 DJED C=CCCNc1ccccc1C(=O)Nc1ccc(F)cc1Cl 303772064 BSDSYLOVORAXCS-UHFFFAOYSA-N 318.779 4.719 30 20 DJED CCCC1(C/N=C(/O)c2ccc3c(c2)N=C(O)C3(C)C)CCC1 328907291 CAPREXJRHPQRMF-UHFFFAOYSA-N 314.429 4.841 30 20 DJED O/C(CCc1nc2ccccc2o1)=N/[C@@H]1CC[C@@H]2CCC[C@H]2C1 329596415 IOVHNMVTZVXMHH-SOUVJXGZSA-N 312.413 4.686 30 20 DJED CC[C@@H]1OCCC[C@@H]1C(O)=Nc1scnc1-c1ccccc1 330253569 OVQASJOOLIKGER-KBPBESRZSA-N 316.426 4.603 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NCc1c(F)cccc1Cl 341703185 CPXLPZCHXWOXQB-GOSISDBHSA-N 314.791 4.518 30 20 DJED C=CCC[C@@H](Nc1cccc(-n2cc(C)nc2O)c1)c1ccco1 353594777 NRFXOUJSKLCADA-QGZVFWFLSA-N 323.396 4.599 30 20 DJED CC(C)[C@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)c1ccccc1 425631664 BSHRYVQGJPAASG-UZLBHIALSA-N 320.436 4.517 30 20 DJED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1(C)CCC1 427686867 GNIHJKZMFSFJMD-UHFFFAOYSA-N 320.392 4.788 30 20 DJED CC(C)[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1 474417381 UNEIIPJUKHPQQM-TZIWHRDSSA-N 320.436 4.587 30 20 DJED Cc1occc1SCc1ccc(C#N)cc1Br 479160073 RKISQNXVKOQHHC-UHFFFAOYSA-N 308.200 4.515 30 20 DJED C[C@H](NC(=O)CC(C)(C)C#N)c1ccc(Cl)c2ccccc12 505264451 LGQRKGBNHUHDBN-LBPRGKRZSA-N 314.816 4.610 30 20 DJED C=C(C)CCc1noc(-c2csc(-c3ccccc3F)n2)n1 508612442 ADZRGQAHOSVCTH-UHFFFAOYSA-N 315.373 4.508 30 20 DJED CCCCN(CCCC1(C#N)CCOCC1)[C@H]1CCC[C@H](C)C1 520201005 OASQSTZGPCAYDL-OALUTQOASA-N 320.521 4.768 30 20 DJED C=C1CCN(Cc2csc(Cc3ccc(Cl)cc3)n2)CC1 524564298 NHBUCYNEJUJTNI-UHFFFAOYSA-N 318.873 4.539 30 20 DJED Cc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1OCC(F)F 525757133 GUDLMHMWWWQYNF-ZDUSSCGKSA-N 316.351 4.684 30 20 DJED C=C[C@@H](CC(=O)N1Cc2ccccc2C(C)(C)C1)c1ccccc1 536278350 MBBWKGASAWLDFO-KRWDZBQOSA-N 319.448 4.666 30 20 DJED C=CC[C@@H](C)N[C@H](C)c1sc(Cc2ccccc2)nc1C 539071298 INPFPBFNUMSGMG-ZIAGYGMSSA-N 300.471 4.658 30 20 DJED C=CCCC[C@@H](C)NC(=O)c1cc(F)c(Cl)cc1Cl 539432753 FEQURIWTULQADC-SECBINFHSA-N 304.192 4.607 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 565561237 MGUXUGCEYYBAPO-GVDBMIGSSA-N 304.478 4.524 30 20 DJED CC1=C(C)C[C@H](C(=O)Nc2ccccc2SCCC#N)CC1 581885007 AEYPPJOLZCHGCJ-OAHLLOKOSA-N 314.454 4.767 30 20 DJED CCc1c(C)sc(NC(=O)[C@@H](C)c2cccc(C)c2)c1C#N 610044139 VVFVRHVPNOHBKL-LBPRGKRZSA-N 312.438 4.541 30 20 DJED C[C@@H](NCc1cc(Cl)cc(Cl)c1)c1cccc(C#N)c1 610345106 SAGAQICVYGPSHR-LLVKDONJSA-N 305.208 4.716 30 20 DJED C=C(C)[C@@H](N[C@H]1CCCc2scnc21)c1ccc(F)c(F)c1 623963709 MXXRDVQGQJLJIZ-GOEBONIOSA-N 320.408 4.706 30 20 DJED CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1C 726425814 IOKUOUHKBNRCEC-UHFFFAOYSA-N 317.314 4.722 30 20 DJED Cc1cc(O)c(CN(CCC#N)CC(C)(C)C)cc1C(C)C 729468138 LZRNBCHFJDTYMY-UHFFFAOYSA-N 302.462 4.586 30 20 DJED Cc1ccsc1C(=O)/C=C/c1ccc(Br)cc1 733749539 NPPSDPYXPVKMRP-QPJJXVBHSA-N 307.212 4.715 30 20 DJED Cc1cc(C(=O)/C=C\c2ccc(O[C@H](C)C#N)cc2)cc(C)c1F 741468766 XWEBSKCSANEVNS-WUKHSURWSA-N 323.367 4.630 30 20 DJED COCc1ccc(/C=C2\COc3ccc(C(C)C)cc3C2=O)cc1 741843654 MERFBCLAORRCHU-VCHYOVAHSA-N 322.404 4.615 30 20 DJED C#CCCOc1ccc(CNc2ccc(COC(C)C)cc2)cc1 747099588 ZUZVDMJJQCYJNL-UHFFFAOYSA-N 323.436 4.626 30 20 DJED O=[N+]([O-])c1ccc(O)c(C=Nc2cccc(-c3cccs3)c2)c1 750948974 BHVJPTLPCNMZSX-UHFFFAOYSA-N 324.361 4.780 30 20 DJED C#CC[C@@H](NC(=O)Nc1c(CC)cccc1CC)c1ccccc1 757755528 KSRSRTGVKHICGC-LJQANCHMSA-N 320.436 4.698 30 20 DJED O=C1/C(=C/c2cnc(C3CCC3)s2)Cc2ccc(Cl)cc21 762447256 NYDFQXJTBOWIJJ-KPKJPENVSA-N 315.825 4.886 30 20 DJED O=C(/C=C/c1ccc(Cl)nc1)c1cc2c(s1)CCCC2 764431277 CZVITHWXUWPKLA-FNORWQNLSA-N 303.814 4.571 30 20 DJED Fc1ccccc1C=NOCc1nc(C2CCCCC2)cs1 766686336 YSKOYJZZNAVKRC-UHFFFAOYSA-N 318.417 4.881 30 20 DJED Fc1cccc(C2CC(=NNc3cccc(C(F)(F)F)n3)C2)c1 781594673 PQFYPMMETBGXDU-UHFFFAOYSA-N 323.293 4.585 30 20 DJED O=C1/C(=C\c2ccc3cnccc3c2)Cc2c(Cl)cccc21 782327250 JAMUWWYOECSSIO-DHDCSXOGSA-N 305.764 4.711 30 20 DJED C[C@H](CCCc1ccccc1)C(=O)OCCCC(C)(C)C#N 784543446 CUOGGHHJNZPEOQ-MRXNPFEDSA-N 301.430 4.519 30 20 DJED CCCCCCCC[S@@](=O)Cc1ccn(C2CCCC2)n1 790139306 LARKPZNUUMYDBY-OAQYLSRUSA-N 310.507 4.607 30 20 DJED N#Cc1c(Cl)nsc1N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 795207676 URDPJRWJRSIARC-ZYHUDNBSSA-N 321.808 4.555 30 20 DJED CN(C)c1ccc(N[C@@H]2CCCCc3cc(C#N)ccc32)cc1 795812403 CFNYXJGDNYAJKL-HXUWFJFHSA-N 305.425 4.504 30 20 DJED CC(C)(C)c1cnc([C@@H](C#N)C(=O)/C=C/C2CCCCC2)s1 797570535 IFHKVHXZSCABEO-HBWSCVEGSA-N 316.470 4.753 30 20 DJED N#Cc1ccc(Cl)c(C(=O)OCc2cccc(C(F)F)c2)c1 803833464 VSVDJFVGZCKYOM-UHFFFAOYSA-N 321.710 4.506 30 20 DJED Cc1ccccc1[C@H](Nc1nc(Cl)c(C#N)s1)C(C)C 804449655 KVAOJLQUVFCCML-CYBMUJFWSA-N 305.834 4.786 30 20 DJED CC(C)CC(=NNc1nccnc1C1CCC1)c1cccs1 807994063 LJWOXQGCMYIDFD-UHFFFAOYSA-N 314.458 4.668 30 20 DJED C[C@@H]1/C(=C\c2ccc([N+](=O)[O-])c(Cl)c2)C(=O)c2ccccc21 809159089 IAAVEHRCGAMMNC-CEITULEQSA-N 313.740 4.632 30 20 DJED COc1ccc2cc(C(C)=NNc3ccccc3F)ccc2c1 812458921 NUODZPUMUROETF-UHFFFAOYSA-N 308.356 4.824 30 20 DJED Cc1ccc([C@@H](OC(=O)c2ncc(C#N)cc2C)C(C)(C)C)cc1 816006075 KYASNLRSJMMMHY-GOSISDBHSA-N 322.408 4.514 30 20 DJED Cc1ccc(C)c(NC(=S)N(C)[C@H](C)c2cccc(C#N)c2)c1 819028768 QLYFYSWUEZAYJR-OAHLLOKOSA-N 323.465 4.565 30 20 DJED C=C(C)C(C)(C)C(=O)O[C@@H](C)c1nc2ccccc2n1C(F)F 819952384 DZNMCYWPUFNTCI-NSHDSACASA-N 322.355 4.638 30 20 DJED CCCCC[C@H](C)CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842942157 WLJSDDUSOIHOAL-GXTWGEPZSA-N 304.459 4.803 30 20 DJED C=CCC[C@H](Nc1ccc2c(c1)N(C(=O)CC)CC2)c1ccco1 903279972 RDFSJODZBCEWGB-KRWDZBQOSA-N 324.424 4.698 30 20 DJED Clc1cnc(NN=C2CCSc3ccccc32)c(Cl)c1 916317365 LQIPOQWNEDNOLS-UHFFFAOYSA-N 324.236 4.700 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc(OCC(F)(F)F)cc2)cc1 921260617 CDJYQAPVNYTGRN-WDZFZDKYSA-N 320.310 4.832 30 20 DJED CC(C)(CC1CCCCCC1)NCc1ccc(F)cc1C#N 1169343825 WHEDLNAKDDRPBY-UHFFFAOYSA-N 302.437 4.926 30 20 DJED COc1cccc([C@H](C)SCc2ccc(F)c(C#N)c2)c1 1188951884 HHBGHIDQEYSOJM-LBPRGKRZSA-N 301.386 4.700 30 20 DJED Cc1ccc(CN2CCC(c3ccc(C#N)cc3)CC2)cc1C 1204355900 XUSRJLDEJYFGMF-UHFFFAOYSA-N 304.437 4.555 30 20 DJED C[C@H](OC(=O)c1cc2ccccc2s1)c1cccc(C#N)c1 1266016603 MTBYDUDDCHZMAE-LBPRGKRZSA-N 307.374 4.691 30 20 DJED N#Cc1cc(Cl)ccc1NC(=O)c1cccc2ccsc12 1279078335 ZSBBZPRZWYAZFC-UHFFFAOYSA-N 312.781 4.679 30 20 DJED CC(C)[C@H](Nc1ncc(C#N)cc1F)c1ccccc1Cl 1306965349 JZIYRFAXDCBVDS-HNNXBMFYSA-N 303.768 4.555 30 20 DJED C[C@H](C#N)CN(C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 1307446566 SIWGHMLSPVOJTD-ACJLOTCBSA-N 316.807 4.660 30 20 DJED CC(C)(C#N)CCOC(=O)c1ccc(-c2cccs2)s1 1323688053 KINPTZFJOUHRJJ-UHFFFAOYSA-N 305.424 4.573 30 20 DJED CC1(C)CCC[C@@H]1CNc1c(Br)cccc1C#N 1458400352 PQAAYOPBAVQUTG-GFCCVEGCSA-N 307.235 4.559 30 20 DJED N#CCc1ccc(CN[C@@H]2CCCC[C@@H]2Cc2ccccc2)cc1 1459991359 YHYWWXCBFJPJNA-FGZHOGPDSA-N 318.464 4.644 30 20 DJED N#Cc1ccccc1-c1ccc(CN2CCC[C@@H]3CCC[C@H]32)cc1 1473171574 BKZRWQOXWSMHFV-SIKLNZKXSA-N 316.448 4.990 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1Cl 1473278556 IVYLNKNBLBZFGW-NVXWUHKLSA-N 304.865 4.906 30 20 DJED Cc1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)cc1Cl 1474318364 AWILJBISCGLNFA-UHFFFAOYSA-N 312.844 4.931 30 20 DJED CCCN(Cc1ccc(F)cc1C(F)(F)F)CC(F)(F)F 1474383326 YZEMEAZPWGYLFA-UHFFFAOYSA-N 317.248 4.619 30 20 DJED CCc1ccsc1C(=O)Nc1scc(C(C)(C)C)c1C#N 1527171581 QELQTZORFCGDCG-UHFFFAOYSA-N 318.467 4.793 30 20 DJED N#CCC[C@H](NC(=O)CCCC1CCCCC1)c1ccccc1 1536268846 FTJMGCNUDHMQAY-IBGZPJMESA-N 312.457 4.898 30 20 DJED C[C@@H]1CCN(c2nc(C(C)(C)C)ccc2C#N)[C@H]2CCCC[C@H]21 1559121182 TYFMFNHSTOFWNP-PVAVHDDUSA-N 311.473 4.656 30 20 DJED CCC[C@@H]1CCCC[C@H]1CNC(=O)Nc1cc(C)cc(C#N)c1 1562939522 LUOZHGWHZJEKGM-SJORKVTESA-N 313.445 4.595 30 20 DJED C[C@H]1Cc2c(sc(NC(=O)C3CCCCC3)c2C#N)[C@H](C)C1 1583689740 KIZKGOCPLOUEHM-VXGBXAGGSA-N 316.470 4.824 30 20 DJED Cc1c(Cl)cnc(N(C)[C@@H](C)c2cccc(Cl)c2)c1C#N 1642108767 DAKJDVWYLBSHAY-NSHDSACASA-N 320.223 4.766 30 20 DJED C[C@@H]1CCC[C@H](CSc2nc3c(cc2C#N)CCCC3)C1 1643615520 NFUDXYLCBLBRSI-KGLIPLIRSA-N 300.471 4.750 30 20 DJED CCC[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)C(C)(C)C 1669350618 MXWRIXDEMLCBTI-AWEZNQCLSA-N 307.825 4.548 30 20 DJED C[C@@H]1C[C@H](C(=O)O)CCC1=Nn1c2ccccc2c2ccccc21 1776113120 XZFBEDPRIFEQDV-ZIAGYGMSSA-N 320.392 4.519 30 20 DJED C=CCc1ccccc1CN[C@H](CCCCCCC)CC(=O)O 1776188438 OUKRGASXKALIER-LJQANCHMSA-N 317.473 4.709 30 20 DJED N#Cc1ccc(/C=C2\CSc3ccc(Cl)cc3C2=O)cc1 45615824 ITDJJPMWAAJOPN-NTUHNPAUSA-N 311.793 4.584 30 20 DJED C=C[C@@H](CC(=O)[C@H](C#N)c1nc(C(C)C)cs1)c1ccccc1 131164445 FCYWFRPITAFEFG-HOCLYGCPSA-N 324.449 4.803 30 20 DJED CC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cc(F)ccc1F 154324293 NTVGXAPEUVTREH-XIKOKIGWSA-N 300.352 4.638 30 20 DJED COc1ccc(-c2nc(CSc3cccc(C#N)c3)co2)cc1 177096748 DTGAQPOAUOREQY-UHFFFAOYSA-N 322.389 4.514 30 20 DJED CC1(C)CCC[C@H](C(=O)Nc2ccccc2SCCC#N)C1 178895354 VDBBVDAXHRLWAJ-AWEZNQCLSA-N 316.470 4.847 30 20 DJED N#Cc1ccc(CNc2cccc(Oc3ccccc3)c2)cc1 321189315 VEKPHGHMYONXMB-UHFFFAOYSA-N 300.361 4.963 30 20 DJED C[C@H]1CC[C@H](CC(O)=Nc2csc(-c3ccncc3)n2)C1 328742468 JMKBXJRCWWFWGS-RYUDHWBXSA-N 301.415 4.619 30 20 DJED OC1=NCc2c(N=C(O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)cccc21 329299108 URNVMAUYOQSQGG-HZSPNIEDSA-N 312.413 4.699 30 20 DJED O/C(=N/C1CCCCCC1)C1CCC(/N=C(/O)C2CC2)CC1 329994628 MIXVJZPXYRCUQG-UHFFFAOYSA-N 306.450 4.591 30 20 DJED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cccc(F)c1F 341898377 SUWXHVTVJWUUCM-SGTLLEGYSA-N 312.363 4.565 30 20 DJED N#CCc1ccc(CNc2ccc3c(c2)Cc2ccccc2-3)cc1 398955063 HDUGQDFCSVASJL-UHFFFAOYSA-N 310.400 4.936 30 20 DJED CCCC[C@H](CC)CC(=O)N[C@@H](CCC#N)c1ccccc1 439671175 GYDKFAHXEGLUNU-WMZOPIPTSA-N 300.446 4.754 30 20 DJED C=C(C)[C@H](NC1CCC(C)(C#N)CC1)c1ccc(F)c(F)c1 449253301 YLAREMORQMQZGX-GMXGEUMGSA-N 304.384 4.644 30 20 DJED C=CCCC1(C(=O)N2CC=C(c3ccccc3Cl)CC2)CC1 476518610 YKACEMIHJAXSNW-UHFFFAOYSA-N 315.844 4.702 30 20 DJED N#Cc1cccc(CN[C@@H]2CCCCc3ccc(Cl)cc32)c1 480815426 VHLKUAJPMUGGJI-LJQANCHMSA-N 310.828 4.769 30 20 DJED Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)CCC2 490356969 ZQKRFRHNQPCZGG-XOBRGWDASA-N 308.400 4.734 30 20 DJED C[C@H]1CCC[C@@H](CC(=O)Nc2cccc(OCCCC#N)c2)C1 498774089 DNZLNNXECBFJCU-JKSUJKDBSA-N 314.429 4.524 30 20 DJED C[C@H](C#N)CN(C)Cc1ccc(-c2cccc(Cl)c2Cl)o1 509832879 OXSJRZLRMYBHJV-LLVKDONJSA-N 323.223 4.845 30 20 DJED C=CCC[C@H](NCCc1csc(C(C)(C)C)n1)c1ccco1 516308473 PSWBSJWNXNVION-HNNXBMFYSA-N 318.486 4.873 30 20 DJED C=C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)c1ccccc1 534651963 IJNMTPFKPVGAQW-MRXNPFEDSA-N 313.828 4.658 30 20 DJED Cc1ccccc1-c1cnc(CSc2ccc(C#N)cc2)o1 535261820 OTIGHTHBOLCQRD-UHFFFAOYSA-N 306.390 4.814 30 20 DJED C[C@@H](NCC1(c2ccccc2Cl)CC1)c1cccc(C#N)c1 537305127 CTOXEQMIXREFPX-CQSZACIVSA-N 310.828 4.594 30 20 DJED Cc1ccccc1[C@H](NCc1cccc(C#N)c1F)C(C)(C)C 540459283 VCGMWJAOZHUGRH-IBGZPJMESA-N 310.416 4.883 30 20 DJED C=CCC[C@@H](NCc1c(Cl)cccc1OC)c1ccco1 552281671 GEGFEICPSZVAOC-OAHLLOKOSA-N 305.805 4.739 30 20 DJED N#Cc1ccccc1C(=O)/C=C\c1cccc(-c2cccnc2)c1 588618246 JJZXUAXRFVVOJM-KHPPLWFESA-N 310.356 4.516 30 20 DJED COCCOCc1cccc(-c2cccc(CC(C)(C)C#N)c2)c1 592987077 UQVNWXOSNJMXHA-UHFFFAOYSA-N 323.436 4.609 30 20 DJED CC(C)(C)c1noc(-c2cccc(Oc3ccc(C#N)cc3)c2)n1 609474618 KRFNHZRVXYMWOW-UHFFFAOYSA-N 319.364 4.698 30 20 DJED CCOc1cc(C#N)cc(Cl)c1OC(=O)C[C@@H](C)CC(C)C 727661163 MEEXNNRZDZGQQF-LBPRGKRZSA-N 323.820 4.588 30 20 DJED CCc1nc([C@@H](C)/N=C/c2c(O)ccc3ccccc23)cs1 731939121 YVYANNQCFFTOBF-AINDZBIGSA-N 310.422 4.744 30 20 DJED CC[C@H](Cc1ccccc1)C(=O)N(CCC#N)c1ccc(C)cc1 732755481 AVKUQRKUKXCDLZ-LJQANCHMSA-N 320.436 4.511 30 20 DJED CCCCC[C@H](C)CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 744159887 HVWDCZHERHYXCL-DZGCQCFKSA-N 311.429 4.654 30 20 DJED CCOc1cc(/C=C\C(=O)c2ccsc2)cc(Cl)c1OC 749102557 UABXPWQGFAXRSQ-PLNGDYQASA-N 322.813 4.705 30 20 DJED CCn1nccc1/C=C\C(=O)c1cc2c(ccc3ccccc32)o1 753711271 HYVIZTZIVCXLMI-HJWRWDBZSA-N 316.360 4.699 30 20 DJED O=C(/C=C\c1ccccc1C(F)(F)F)c1ccc(Cl)nc1 759084242 UKHMHNAHODSBGE-ALCCZGGFSA-N 311.690 4.650 30 20 DJED CCCCCCC[S@](=O)Cc1ccccc1C(F)(F)F 764438503 OECLMFXYPKPJHS-FQEVSTJZSA-N 306.393 4.925 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C\c1cccc(-c3cccnc3)c1)C2 768491193 XSUWTSVSYIBLOD-NDENLUEZSA-N 311.384 4.879 30 20 DJED C=CC[C@H](N[C@H](CC)c1cc(Cl)ccc1O)c1ccncc1 775507307 KCYCICPOQTZKBS-SJORKVTESA-N 316.832 4.799 30 20 DJED C=CCC[C@H](C(=O)Oc1ccc(C(C)=O)cc1)c1ccccc1 777401438 GYBTZHUDMMOMPY-IBGZPJMESA-N 308.377 4.545 30 20 DJED FC(F)(F)c1cscc1C=NNc1ccc(Cl)cc1 811629290 WUFCLNVIFRTZPW-UHFFFAOYSA-N 304.724 4.866 30 20 DJED CCCCCCCC(=O)N(C)Cc1ccc(OC(F)F)cc1 829583075 VDKDKZFGHDZVJS-UHFFFAOYSA-N 313.388 4.607 30 20 DJED CC(C)=CCC[C@@H](C)CC=NNc1ncnc2sccc12 916368753 ZKICRRDOXLOTGD-CYBMUJFWSA-N 302.447 4.862 30 20 DJED CC(=NNc1ccccc1Cl)c1nc2ccccc2s1 917563705 QYKDAFSSPKYQPJ-UHFFFAOYSA-N 301.802 4.786 30 20 DJED CCCCCCCC(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 920106664 VYURPOGRQOUNCZ-MRXNPFEDSA-N 324.424 4.728 30 20 DJED C=C(C)COc1cccc(NCc2csc(C(C)C)n2)c1 1116450007 WIXFRRNSDGQANF-UHFFFAOYSA-N 302.443 4.834 30 20 DJED CC(C)c1ccc([C@@H](C)CC(=O)[C@@H](C#N)c2cccc(F)n2)cc1 1122632463 VSWFRNRMFRMSMC-YOEHRIQHSA-N 324.399 4.714 30 20 DJED Cc1ccc(C)c(CSc2nc3c(cc2C#N)CCCC3)c1 1188564477 HCROXYFLXQUAHH-UHFFFAOYSA-N 308.450 4.741 30 20 DJED Cc1cc(C#N)ccc1CN1CCS[C@H](C)[C@H]1c1ccccc1 1307473693 QRRSOJXPVSZABZ-UZLBHIALSA-N 322.477 4.545 30 20 DJED N#CCCN(CCCc1c(Cl)cccc1Cl)CC1CC1 1308589877 UHNZTLCERPRQTC-UHFFFAOYSA-N 311.256 4.552 30 20 DJED N#Cc1cccc(-c2nnc(-c3cccc(-c4ccoc4)c3)o2)c1 1322411269 DVCAPEPJXUANFW-UHFFFAOYSA-N 313.316 4.535 30 20 DJED C=CCCO[C@@H](C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 1322468311 MNMVRVMXGBRRGD-NEPJUHHUSA-N 318.442 4.577 30 20 DJED CCC[C@@H]1CCC[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 1353332747 FYNLLRIGZSTOOD-RTBURBONSA-N 312.457 4.512 30 20 DJED C[C@@H]1C[C@@H](CC(=O)N2CCCc3cc(C#N)ccc32)CC(C)(C)C1 1460301690 HQHVSFGKXLKYNP-WBVHZDCISA-N 324.468 4.690 30 20 DJED C[C@H](CC(C)(C)c1ccccc1)Nc1nc(C#N)c(Cl)s1 1472676117 WEFFVUUUNFYYQL-LLVKDONJSA-N 319.861 4.836 30 20 DJED N#Cc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)cs1 1522513675 PNUIVJGDORMDHX-UHFFFAOYSA-N 304.374 4.539 30 20 DJED CC(C)[C@@H]1CCc2c(sc(NC(=O)CC3CCC3)c2C#N)C1 1534342775 ZUFWSOPDLTUNND-CYBMUJFWSA-N 316.470 4.509 30 20 DJED C[C@@H](OC(=O)CC1CC(c2ccccc2)C1)c1cccc(C#N)c1 1534857136 LRRQTYQCQGYDSK-XRTORIHISA-N 319.404 4.746 30 20 DJED Cc1ccc(Nc2c(C#N)cccc2C#N)cc1OCCC(C)C 1559113648 RWPRDEMRAPIAPU-UHFFFAOYSA-N 319.408 4.907 30 20 DJED Cc1cc(NC(=O)C[C@H](C)c2ccc(C(C)C)cc2)ncc1C#N 1586237597 UWLGUNSDVVUVBS-HNNXBMFYSA-N 321.424 4.517 30 20 DJED Cc1cc(CCNc2nc(C)c(C#N)cc2Cl)ccc1Cl 1612420028 WTPNAIAMXJAGFT-UHFFFAOYSA-N 320.223 4.532 30 20 DJED C[C@H](COc1ccc(Cl)c(Cl)c1)Nc1cccc(C#N)c1 1652080569 RQXBGYSIGOIFJK-LLVKDONJSA-N 321.207 4.744 30 20 DJED C[C@]1(c2ccccc2)CCCN(Cc2cccc(C#N)c2F)CC1 1654424779 BVICFTNABHSDNO-NRFANRHFSA-N 322.427 4.641 30 20 DJED CCCOc1cccc(CN(CC)[C@H](C)c2ccc(C#N)cc2)c1 1657041511 CAPKZNAOVUBCHX-QGZVFWFLSA-N 322.452 4.930 30 20 DJED C[C@H](C#N)Oc1ccccc1NCCc1ccc(C(C)(C)C)cc1 1659186054 FLYAWDRWOPEWAR-MRXNPFEDSA-N 322.452 4.930 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C)cc1 60451240 FCDYCGXQOKVERF-UHFFFAOYSA-N 305.830 4.538 30 20 DJED CC(C)c1ccccc1-n1ccnc1SC[C@@H](C#N)CCC#N 66400909 TWKKHTIUZKEZMO-OAHLLOKOSA-N 324.453 4.531 30 20 DJED CC[C@@H](C)Sc1ccc(NC(=O)N(C)[C@H](C)CC#N)c(C)c1 86284769 PQRKHROADFJVJL-ZIAGYGMSSA-N 319.474 4.652 30 20 DJED CCCN(CCC)C(=O)Nc1ccccc1S[C@@H](C)CC#N 109028201 LMBHJZMDGQLGHH-AWEZNQCLSA-N 319.474 4.735 30 20 DJED CC[C@@H](N[C@@H](C)c1cccc(F)c1F)c1ccc(C#N)cc1 278776537 POBKBVIJPSRMIA-YVEFUNNKSA-N 300.352 4.638 30 20 DJED CC#CCCCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 298572318 NYPDYMVFCVHGSJ-UHFFFAOYSA-N 304.604 4.779 30 20 DJED C=CCOc1ccccc1CN[C@@H](CC)c1ccc(OC)cc1 319738125 HRJMPPWQVAQFNQ-IBGZPJMESA-N 311.425 4.501 30 20 DJED Cc1ccc(C#N)cc1NCc1csc(-c2ccc(F)cc2)n1 320351364 COAVFGXTQYPPCX-UHFFFAOYSA-N 323.396 4.741 30 20 DJED COc1cc(N=C(O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)ccc1O 329119661 VMEFWOOJTLRHDB-AEGPPILISA-N 303.402 4.595 30 20 DJED C[C@@H]1C[C@H](C(O)=Nc2nc3cc(Cl)ccc3s2)CCC1=O 329368020 JBGNPYRSQVGSPQ-RKDXNWHRSA-N 322.817 4.543 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@@H]2/N=C(/O)[C@H]1CCc2cccnc21 329419053 ZUFZJMPZMNZTCQ-HOCLYGCPSA-N 324.424 4.683 30 20 DJED CC(C)(C)c1csc(NC(=O)c2sccc2Cl)c1C#N 410931773 RQTOVOWLUSOZJM-UHFFFAOYSA-N 324.858 4.884 30 20 DJED Clc1ccc(C#CCN2CCC[C@H]2c2cccs2)cc1 426391570 RHFBOWBAXVNTCH-INIZCTEOSA-N 301.842 4.590 30 20 DJED CC(C)[C@H](c1ccc(F)cc1)N(C)Cc1cc(C#N)cs1 435295803 CLGJQZFCEFAZNS-QGZVFWFLSA-N 302.418 4.588 30 20 DJED C[C@@H](c1ccc(Cl)cc1)[S@@](=O)CCCCC(C)(C)C#N 435424989 XWQAIEACRBYYTI-RBZFPXEDSA-N 311.878 4.870 30 20 DJED CC(C)[C@@H](C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 443833145 XBIZPBFCQFJDTG-QGZVFWFLSA-N 312.800 4.590 30 20 DJED COc1ccc2c(c1)C[C@H](C)N(CCCCC(C)(C)C#N)[C@H]2C 444680070 DFMCGMVVVMVCIN-HOTGVXAUSA-N 314.473 4.723 30 20 DJED C=CCOc1ccc(CC(=O)Nc2ccccc2C(C)C)cc1 448645504 YXRGZEVUSGSCOU-UHFFFAOYSA-N 309.409 4.556 30 20 DJED N#CCSCCCN1CC=C(c2cccc3ccccc23)CC1 466726743 DFCOFLYLNKCQLS-UHFFFAOYSA-N 322.477 4.576 30 20 DJED CC#CCCCC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 466866314 KQFSQDWVUWOMOV-UHFFFAOYSA-N 312.240 4.538 30 20 DJED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CC1(C)CC1 469086015 WPCOTMSYMLGGDX-UHFFFAOYSA-N 320.392 4.788 30 20 DJED CCCCSc1nnc(SCCCC(C)(C)C#N)s1 476523583 UHVUVNYAFURIMJ-UHFFFAOYSA-N 315.533 4.852 30 20 DJED CC(C)(C)c1cc(NC(=O)C[C@H]2C=CCCC2)c(C#N)s1 489655977 FLEKOLXSWMMXKM-LBPRGKRZSA-N 302.443 4.602 30 20 DJED CCOC1CC(CSCc2ccccc2C(C)(C)C#N)C1 507122937 WDRUFIVVVVCFNA-UHFFFAOYSA-N 303.471 4.536 30 20 DJED C=CCN(Cc1ccccc1)Cc1csc(-c2ccco2)n1 508532436 TVXUGGVBOCARLT-UHFFFAOYSA-N 310.422 4.591 30 20 DJED N#C[C@@H](Sc1n[nH]c(/C=C\c2ccccc2)n1)C1CCCCC1 524535951 CEVYMMRHDCJVRB-YUQCYMQKSA-N 324.453 4.540 30 20 DJED CC(C)CCN(C(=O)c1ccc(Cl)c(C#N)c1)C1CCCC1 544422778 BQZCLSBPNHMXEW-UHFFFAOYSA-N 318.848 4.643 30 20 DJED C=C[C@H](CC(=O)N1CC[C@H](c2ccccc2F)C1)c1ccccc1 556034972 WQWJYHSOSSUZNS-AEFFLSMTSA-N 323.411 4.502 30 20 DJED C[C@@H](C1CC1)n1cc(N[C@H]2CCCCc3cc(C#N)ccc32)cn1 562315750 JCQBLBNZSHLZPW-XOBRGWDASA-N 320.440 4.605 30 20 DJED CC1(C)C[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)c2ccccc21 569514280 WMFCDNUXWDEZFQ-WOJBJXKFSA-N 302.421 4.558 30 20 DJED CC(C)(C#N)c1ccc(-c2nc(-c3ccccc3Cl)no2)cc1 570081556 PABQQEMFLIAFBX-UHFFFAOYSA-N 323.783 4.858 30 20 DJED CC(C)(C)C(C)(C)CNCc1cccc(OCCCC#N)c1 572468832 LFZNDKRJOGUBQA-UHFFFAOYSA-N 302.462 4.531 30 20 DJED C[C@@H](CCc1ccc(F)cc1F)N[C@@H](C)c1cccc(C#N)c1 586790624 VDUKGUAMSIXUPX-KBPBESRZSA-N 314.379 4.508 30 20 DJED CC(C)(C)c1ccc(C(C)(C)NC(=O)CCCCCC#N)cc1 588950961 HUMUQFLIGXOWNX-UHFFFAOYSA-N 314.473 4.809 30 20 DJED CCN(C(=O)CCCCCC#N)c1ccc(C(F)(F)F)cc1 588989911 VLTRGFMGLVBDQY-UHFFFAOYSA-N 312.335 4.532 30 20 DJED CCCN(C(=O)c1csc(C)c1)c1cc(Cl)ccc1C#N 598812349 VQTBOONJVGLLSG-UHFFFAOYSA-N 318.829 4.638 30 20 DJED CCc1cc(C(=O)Nc2sc(C)c(CC)c2C#N)sc1C 609032701 CJHNDTJRIGIBHJ-UHFFFAOYSA-N 318.467 4.675 30 20 DJED CC(C)(C#N)CCCCSc1nnc(-c2ccccc2F)o1 618141991 PNNPCVWHCLHFFE-UHFFFAOYSA-N 319.405 4.688 30 20 DJED C=CCC[C@H](NCc1ncc(C)[nH]1)c1ccc(C(F)(F)F)cc1 657414957 XDXXGDVAHIGXBT-HNNXBMFYSA-N 323.362 4.534 30 20 DJED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1ccccc1OC 675154381 GVKVCQIJNQQMPC-GOSISDBHSA-N 313.441 4.517 30 20 DJED Cc1nc(-c2ccccc2)sc1C(=O)/C=C\c1cccc(O)c1 727780976 YTCHKIMGLMYBHG-KHPPLWFESA-N 321.401 4.720 30 20 DJED C#Cc1cccc(N(C)C(=O)c2cc(CC)c(CCC)s2)c1 728483074 IIJKCPZQYLQUCW-UHFFFAOYSA-N 311.450 4.521 30 20 DJED O=C(/C=C/c1ccc(OC(F)F)c(Cl)c1)c1ccccc1 731488838 RGYXANNRSROSER-SOFGYWHQSA-N 308.711 4.838 30 20 DJED Cc1ccsc1C(=O)/C=C\c1ccccc1Br 733749548 OHRYKDCXXDGALL-SREVYHEPSA-N 307.212 4.715 30 20 DJED O=C(/C=C\c1ccccc1OCc1ccccc1)c1cncs1 735792336 BXOSFXFJLGWRCW-KHPPLWFESA-N 321.401 4.618 30 20 DJED C=C(C)CN[C@@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 742263392 BZYMWOVWGCGDGT-SFHVURJKSA-N 319.420 4.942 30 20 DJED CCc1c(C(C)=NNc2ccc(Cl)nc2)oc2ccccc12 743450653 VMVQRHVXJWUTSO-UHFFFAOYSA-N 313.788 4.880 30 20 DJED O=C(/C=C\c1ccc(O)cc1)c1cccc(-c2ccccc2)c1 746345733 JMYGUTXNXWHWBR-KAMYIIQDSA-N 300.357 4.955 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2cc(Cl)ccc2Cl)s1 748994164 IHRMXGYVSMKASF-XQRVVYSFSA-N 308.189 4.823 30 20 DJED C=CCCC(=O)CSc1nc(-c2ccc(F)cc2)cs1 762472974 VHDRUSJIZUCNTF-UHFFFAOYSA-N 307.415 4.577 30 20 DJED C#CC[C@@H](N[C@@H](C)c1ccc(OC)c(Cl)c1)c1ccccc1 773116392 RMSILIWKIFDHOF-KBXCAEBGSA-N 313.828 4.764 30 20 DJED CC(C)OCc1ccc(N[C@H](C)c2ccc(C#N)c(F)c2)cc1 776873409 NKIRGNKPTKWYNY-CQSZACIVSA-N 312.388 4.795 30 20 DJED CC(C)C(C)(C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 784491986 HUOGCOLDJIXDMJ-NSHDSACASA-N 320.845 4.808 30 20 DJED CC(Cc1ccccc1C(F)(F)F)=NOCCC(F)(F)F 794859085 IDVGKEHJPLZGMG-UHFFFAOYSA-N 313.241 4.593 30 20 DJED Cc1nn(C)c2sc(C(=O)/C=C\c3ccccc3C3CC3)cc12 806576484 CKOCDHLXOLIZEH-KTKRTIGZSA-N 322.433 4.717 30 20 DJED CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCCC23CCCC3)c1 815593534 PKNOAYINNMDIIF-PKOBYXMFSA-N 312.457 4.570 30 20 DJED C#CCCCCCC(=O)Nc1onc(C2CCCCC2)c1C 839357443 KMGGHEYWXYTDFO-UHFFFAOYSA-N 302.418 4.553 30 20 DJED C=CCC1(c2nc(COc3cccc(F)c3)no2)CCCCC1 904720896 PAEZZHGUSFLZIJ-UHFFFAOYSA-N 316.376 4.566 30 20 DJED CCCc1ccc(C(=O)/C=C/c2csc([N+](=O)[O-])c2)cc1 917142690 MYGNKSGLXZXTNE-RMKNXTFCSA-N 301.367 4.505 30 20 DJED CCCCCCCC(=O)O[C@H](C)C(=O)Nc1ccc(C)cc1C 919223042 NEHPMBVHVFFJLP-MRXNPFEDSA-N 319.445 4.534 30 20 DJED C[C@H](CCC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccccc1 1125263016 DMNFDXCWUCXOAK-OAHLLOKOSA-N 323.440 4.637 30 20 DJED N#Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1F 1129459701 PCUQMCCSJFIQRR-UHFFFAOYSA-N 316.335 4.617 30 20 DJED Cc1cc(Nc2nc(Cl)c(C#N)s2)ccc1OC(C)C 1162550692 UNHKYBGBZCPTTJ-UHFFFAOYSA-N 307.806 4.507 30 20 DJED CCCN(CCC1(C#N)CCCCC1)[C@H]1C[C@@H](OCC)C1(C)C 1167443352 SMJVPYWLMVEMPU-ZWKOTPCHSA-N 320.521 4.766 30 20 DJED C[C@@H](NCc1cc(C#N)cs1)C1(c2ccccc2)CCCC1 1178509438 JLCHIHYQVUDJBN-OAHLLOKOSA-N 310.466 4.610 30 20 DJED C[C@@H](Sc1ncc(-c2ccccc2)n1C)c1cccc(C#N)c1 1307272113 IXJRLMGNWZTWNT-CQSZACIVSA-N 319.433 4.812 30 20 DJED CC(C)CN(Cc1ccc(C#N)s1)c1cccc(Cl)c1 1307769514 IECNGCDRBQXNBK-UHFFFAOYSA-N 304.846 4.936 30 20 DJED N#CCc1cccc(N2CCCC[C@H]2CCCc2ccccc2)n1 1325710590 UFOPOZBRAXYDCM-FQEVSTJZSA-N 319.452 4.529 30 20 DJED C=CCC(C)(C)c1nnc(-c2ccc(COc3ccccc3)o2)o1 1326972611 OVLYEPNGZFKJEA-UHFFFAOYSA-N 324.380 4.762 30 20 DJED C#CCCCCCc1nnc(-c2ccc(Cl)cc2Cl)o1 1326975834 ROMQAORGHSPIGH-UHFFFAOYSA-N 309.196 4.780 30 20 DJED C[C@H]1CC[C@H](C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 1352011064 VBZJOWWQZBPSAM-JOCQHMNTSA-N 316.470 4.653 30 20 DJED N#Cc1c(F)cccc1N[C@H]1C[C@H](c2cccc(Cl)c2)C1 1458350952 XWMWUSPJDZYKRM-MQMHXKEQSA-N 300.764 4.709 30 20 DJED CCc1ccc(CCN(Cc2ccc(C#N)cc2)C(C)C)cc1 1459377808 KPXRDXGQZGXYRR-UHFFFAOYSA-N 306.453 4.574 30 20 DJED N#Cc1ccccc1-c1ccc(CN2CCC[C@@H]3CCC[C@@H]32)cc1 1473171575 BKZRWQOXWSMHFV-UGKGYDQZSA-N 316.448 4.990 30 20 DJED Cc1ccc([C@@H]2C[C@@H](C)N([C@H](C)c3ccc(C#N)cc3)C2)cc1 1473431815 HJSKSSJAFRWMNT-CBGDNZLLSA-N 304.437 4.806 30 20 DJED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(-c3ccccc3)cc2)C1 1528081084 LRSQQCHJFHSWHF-DNVCBOLYSA-N 305.377 4.593 30 20 DJED Cc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2C)cc1C#N 1529323693 FAZAJJLGJCDNCT-FQEVSTJZSA-N 320.436 4.692 30 20 DJED CC[C@H](C(=O)OCc1cc(C#N)ccc1F)C1CCC(C)CC1 1542583376 QYELBZQURMQAOA-PGEKIEPBSA-N 317.404 4.593 30 20 DJED Cc1c(C#N)c(SCc2ccccc2Cl)nc2c1CCC2 1559341768 BWXACBJFTOUTMA-UHFFFAOYSA-N 314.841 4.696 30 20 DJED CC(C)O[C@@H](CSc1cccc(F)c1C#N)c1ccccc1 1641163252 ZNDDPJFZVUSCJI-KRWDZBQOSA-N 315.413 4.956 30 20 DJED CC(C)Sc1ccc([C@H](C)Nc2ncc(C#N)cc2F)cc1 1651505738 IKAYQEHHBKYHMW-LBPRGKRZSA-N 315.417 4.766 30 20 DJED CC1(c2ccccc2)CC(N[C@H]2CCCc3cc(C#N)ccc32)C1 1658370767 FTZBMAAXHRMQQK-IRQNMHNUSA-N 316.448 4.646 30 20 DJED CC1(C)CCC[C@H](CNC(=O)Nc2ccc(C#N)cc2Cl)C1 1669349781 AYGQNTPPTNUZFZ-ZDUSSCGKSA-N 319.836 4.550 30 20 DJED Cc1cc(C#N)cc(NC(=O)N(C)Cc2ccc(C(C)C)cc2)c1 1672775553 OOXJCFFCGNIEDL-UHFFFAOYSA-N 321.424 4.654 30 20 DJED CC(=NNc1ccc(Cl)c(Cl)c1)c1cccc(C(=O)O)c1 1776032695 KJKVNCFITFHOBH-UHFFFAOYSA-N 323.179 4.528 30 20 DJED O=C(O)c1cccc(NN=Cc2ccc(-c3cccs3)cc2)c1 1776037612 QNPMEOWWEAOJHI-UHFFFAOYSA-N 322.389 4.559 30 20 DJED CC[C@H](C)CON=Cc1ccc(-c2cccc(C(=O)O)c2)s1 1776112424 ZTGJKQHGKDCVPC-LBPRGKRZSA-N 317.410 4.510 30 20 DJED CCCCCCCCCCCN(C)Cc1ncccc1C(=O)O 1776787744 JRKJEFDDEAEBGU-UHFFFAOYSA-N 320.477 4.742 30 20 DJED CC[C@@H](C)[C@@H](C(=O)Nc1ccc(CC#N)cc1)c1ccccc1 57821083 YHVJTSMIDOTDEW-DNVCBOLYSA-N 306.409 4.521 30 20 DJED O=C1/C(=C/c2ccc(O)c(Cl)c2)CSc2ccc(F)cc21 60132665 YUGQQNXCQRMQNR-BJMVGYQFSA-N 320.772 4.557 30 20 DJED C[C@H](Nc1ccc(F)cc1C#N)c1ccc(Br)cc1 113317524 DWTJQUWSNIDTGK-JTQLQIEISA-N 319.177 4.633 30 20 DJED C=C(C)[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(F)c(F)c1 186446190 HFTXDXNPIGUPEU-YJYMSZOUSA-N 312.363 4.804 30 20 DJED Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)co1 188862031 FKATXNMRXLZJFI-UHFFFAOYSA-N 318.332 4.504 30 20 DJED COc1cccc(C(=O)/C=C\c2nc(-c3ccccc3)cs2)c1 209705934 WFHDIHNNLZWTLC-KHPPLWFESA-N 321.401 4.715 30 20 DJED CCc1ccc(C(=O)/C=C\c2cc([N+](=O)[O-])ccc2Cl)s1 210372115 FMGYSECIJPXSCR-CLTKARDFSA-N 321.785 4.768 30 20 DJED Cc1ccc(C(=O)/C=C\c2c(C)nn(-c3ccccc3)c2C)cc1 211360910 OAEOPLGGLAHXOL-YPKPFQOOSA-N 316.404 4.694 30 20 DJED CC(C)(NCc1ccc(C#N)s1)c1cccc(C(F)(F)F)c1 267170234 HUAIZUYZZCAXOK-UHFFFAOYSA-N 324.371 4.663 30 20 DJED COc1ccc([C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C2CC2)cc1 271937442 NPTHGRBPMQHHBF-RBZFPXEDSA-N 324.399 4.508 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@H](C)c2oc3ccccc3c2C)c1 302090990 GWPIETQQXWOFQZ-CYBMUJFWSA-N 318.376 4.989 30 20 DJED C[C@@H]1CCC[C@H](COc2cc(Br)ccc2C#N)C1 302469857 ZIMWIRAVWZMQRD-NEPJUHHUSA-N 308.219 4.526 30 20 DJED N#CC1(CSCc2ccc(Cl)c(Br)c2)CC1 419591367 UDMZSTSWOKGUNT-UHFFFAOYSA-N 316.651 4.639 30 20 DJED Cc1cc(CCCC(=O)Nc2cccc(C#N)c2C)c(C)s1 431834201 BJSGYAOKNIPOOS-UHFFFAOYSA-N 312.438 4.506 30 20 DJED Cc1cc(CNc2cccc(CC(F)(F)F)c2)ccc1C#N 444006103 VJZQKMQAHOMLRB-UHFFFAOYSA-N 304.315 4.584 30 20 DJED C=CCCCCCSc1nnc(CCc2ccccc2)o1 447311051 DWHCPOYERIKITE-UHFFFAOYSA-N 302.443 4.693 30 20 DJED C=C[C@H](CC(=O)N[C@@H](C)c1cc2ccccc2o1)c1ccccc1 466498905 HFSPQCODSFAPRC-JKSUJKDBSA-N 319.404 4.970 30 20 DJED C[C@@H](Nc1cccc(OCCCC#N)c1)C1CCC(F)(F)CC1 474043579 GQVDUNVOOFYRDW-CQSZACIVSA-N 322.399 4.995 30 20 DJED CCc1cccc(CC)c1NC(=O)C[C@H](CC#N)c1ccccc1 475029151 NAWYODIDYFOZCB-IBGZPJMESA-N 320.436 4.837 30 20 DJED CC(C)CCn1ncc(NCc2cc(C#N)cs2)c1C(C)C 486864284 CWWUKYYBWJXRFY-UHFFFAOYSA-N 316.474 4.598 30 20 DJED C=CC[C@H](C(=O)Nc1ccc(COCC)cc1)c1ccccc1 489672170 GTJGOFVLPOIZBY-IBGZPJMESA-N 309.409 4.522 30 20 DJED N#Cc1ccc(NCc2ccccc2CN2CCCCCC2)cc1 496870283 WWLFXWBRANEUIP-UHFFFAOYSA-N 319.452 4.546 30 20 DJED C=CCC[C@H](NC(=O)c1c(F)ccc(C)c1F)c1ccccc1 499435990 AHQFDYVXHZCDSA-INIZCTEOSA-N 315.363 4.711 30 20 DJED CC[C@H](C)CCC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 511728796 IULRPBCFTZSAJM-IINYFYTJSA-N 313.228 4.501 30 20 DJED C=CCC(CC=C)C(=O)Nc1cc(-c2cncc(F)c2)ccc1C 512761895 KILRMCQRQOIKMV-UHFFFAOYSA-N 324.399 4.903 30 20 DJED CC(C)CCNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 517902979 ZVSDHDTVQAGCJV-UHFFFAOYSA-N 323.396 4.518 30 20 DJED Cc1cn(CC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1C#N 531578492 YFYFMHBRXFBVCM-UHFFFAOYSA-N 323.440 4.554 30 20 DJED CC(C)(C)c1ccc(C(C)(C)NCc2cc(C#N)cs2)cc1 532783218 JJCJPAQMEQZXJH-UHFFFAOYSA-N 312.482 4.942 30 20 DJED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)c(F)c1 552922770 SMZUVNVTSRCDBE-HXPMCKFVSA-N 312.363 4.565 30 20 DJED Cc1ccccc1-c1cnc(COc2cc(Cl)cc(C#N)c2)o1 554403419 PVXQCJZEOUAGLD-UHFFFAOYSA-N 324.767 4.754 30 20 DJED Cc1ccc(-c2nnc([C@@H](C)SCC3(C#N)CCC3)o2)cc1 562824274 XUAFGDGGNQAFPL-CYBMUJFWSA-N 313.426 4.533 30 20 DJED N#Cc1ccc(C(F)(F)F)nc1N[C@H](c1ccccc1)C1CC1 576424810 UJICSNJQLVWAKF-OAHLLOKOSA-N 317.314 4.535 30 20 DJED N#C[C@H]1CC[C@@H](N2CCC(c3ccc(Cl)cc3Cl)CC2)C1 578791893 ZBAPOXMVJMIBPI-SWLSCSKDSA-N 323.267 4.865 30 20 DJED CCN(C(=O)CCCCCC#N)[C@H](C)c1cc2ccccc2o1 588306183 NHLNQKMOYLBZEE-OAHLLOKOSA-N 312.413 4.816 30 20 DJED CC[C@H](N[C@H](C#N)c1ccccc1)c1ccccc1OC(F)F 595417851 ZCEOMNPWKJCOBL-JKSUJKDBSA-N 316.351 4.594 30 20 DJED C[C@@H](c1ccccc1)N(C(=O)CC1(C#N)CCCCC1)C1CC1 596975575 SRAFPRZOAXXBET-INIZCTEOSA-N 310.441 4.603 30 20 DJED CC(C)c1ccc(C(C)(C)NCc2ccc(C#N)cc2F)cc1 609358285 YDVWWKGPYKABAW-UHFFFAOYSA-N 310.416 4.846 30 20 DJED CC[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)C1CCCCC1 619433475 HSOIIOMOMZQAGO-MOPGFXCFSA-N 312.457 4.549 30 20 DJED CCC(=NNc1ncnc2c1oc1ccccc12)c1ccccc1 725841867 QCOLYZHFDIXHMB-UHFFFAOYSA-N 316.364 4.602 30 20 DJED Fc1ccc(NN=Cc2cnc(-c3ccccc3)s2)c(F)c1 727251921 KZLHSANRTFYGKO-UHFFFAOYSA-N 315.348 4.534 30 20 DJED N#C[C@H](C(=O)CC1=CCCCC1)c1nc2cc(F)ccc2s1 730421640 MZNUUWWGQBTRCV-CYBMUJFWSA-N 314.385 4.502 30 20 DJED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)C(C)C)n2)cc1 733679019 AFUUZPTUBMXLFS-DZGCQCFKSA-N 312.438 4.587 30 20 DJED CCOc1ccc(C=NOCc2ccc3ccccc3c2)cc1 739899299 ITCUFPUGURGABO-UHFFFAOYSA-N 305.377 4.789 30 20 DJED CCCCCCCCC(=O)N1CCC[C@@H]1c1ccc(O)cc1 744335540 ZRDFXIUYQOPSHN-GOSISDBHSA-N 303.446 4.806 30 20 DJED C=CCCCNc1ccc(Cl)cc1[C@@H](O)c1ccccc1 746051306 JMVQDCJZAJJFKZ-SFHVURJKSA-N 301.817 4.800 30 20 DJED CC(=NNc1ccc(Cl)c(C(=O)O)c1)[C@@H](C)c1ccccc1 746366803 QNDJZKGCEGPYPU-LLVKDONJSA-N 316.788 4.630 30 20 DJED CC(=NNc1oc(C(C)(C)C)nc1C#N)c1ccc(C(C)C)cc1 746497296 FLYZAUFNBFYMSH-UHFFFAOYSA-N 324.428 4.803 30 20 DJED O=C1/C(=C\c2nccc3ccccc23)CCc2cc(F)ccc21 747439511 HFXRDPXJHMMFOW-QINSGFPZSA-N 303.336 4.586 30 20 DJED CN1N=C(CCC2CCCC2)CS/C1=N/Cc1ccccc1 763364200 VXJLXYIAAFRDNM-VHEBQXMUSA-N 315.486 4.548 30 20 DJED C=CC[C@H](N[C@@H](C)c1ccc(OC(C)C)cc1)c1ccncc1 766022884 YMDYJBIOCXTCJL-JXFKEZNVSA-N 310.441 4.837 30 20 DJED CCc1noc(C)c1C(C)=NN[C@H](C)c1ccc(C(C)C)cc1 769794248 ZBPCQJBCIZGQTC-CYBMUJFWSA-N 313.445 4.744 30 20 DJED C[C@@]1(c2ccccc2)CCC(=NNc2nncc3ccccc23)C1 780189345 XSWRTICSMSKEJG-HXUWFJFHSA-N 316.408 4.540 30 20 DJED C[C@H](C(=O)OCC1(C#N)CCCC1)c1ccc2ccccc2c1 780534746 RDPQNAWCNVTSDM-HNNXBMFYSA-N 307.393 4.570 30 20 DJED C#CCCCCN[C@H](CSC)c1ccc(C(F)(F)F)cc1 781906412 CPKHBJIZDORMRG-OAHLLOKOSA-N 315.404 4.503 30 20 DJED N#Cc1ccnc(SCSCc2ccc(Cl)cc2)c1 787490725 OXOGOWIZXXRPBX-UHFFFAOYSA-N 306.843 4.590 30 20 DJED C[C@H](ON=Cc1cccc(Cl)c1Cl)c1cccc(C#N)c1 794712685 CFFAATVYGWSOLU-NSHDSACASA-N 319.191 4.977 30 20 DJED CC(C)n1nccc1/C=C/C(=O)c1cccc(Cl)c1Cl 794943354 XWMXEITVVQAMHS-VOTSOKGWSA-N 309.196 4.667 30 20 DJED CCOc1ccc(/C=C/C(=O)c2cc(C)c(C)o2)cc1OCC 799897810 SIYRYTTWTQSVAI-VQHVLOKHSA-N 314.381 4.590 30 20 DJED CC(C)(C)CCC(=NOCCC(F)(F)F)c1cscn1 807983303 HOOSTDYFTSTQJA-UHFFFAOYSA-N 308.369 4.643 30 20 DJED CC(=NNc1ncc(Cl)cc1Cl)c1ccc(C)cc1C 916316688 IBRLUVLXWHMVGI-UHFFFAOYSA-N 308.212 4.841 30 20 DJED C#Cc1cccc(NC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)c1 921112174 BYXVSIGRNNNCIL-INIZCTEOSA-N 320.436 4.546 30 20 DJED CCCCCCCCC(=O)NCc1nc2ccccc2s1 935619762 ZRKRWDBGDDLRLR-UHFFFAOYSA-N 304.459 4.663 30 20 DJED CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(C#N)c(Cl)c1 1125753705 IIIJNWAUCNAKPR-DYVFJYSZSA-N 318.848 4.546 30 20 DJED C[C@H](OC(=O)[C@H](CC#N)c1ccccc1)c1cc2ccccc2o1 1128108699 SOEKNLHWNHCCAU-WMLDXEAASA-N 319.360 4.734 30 20 DJED CCC[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C 1129228046 ZPBGCWSCYNZTKO-WUHRBBMRSA-N 316.470 4.680 30 20 DJED CC[C@H](CC#N)Nc1ncnc2scc(-c3cccs3)c12 1161049737 UJQJLPXGFGXZEM-SNVBAGLBSA-N 314.439 4.524 30 20 DJED N#Cc1ccc(F)c(CN[C@@H]2CCCC[C@H](c3ccccc3)C2)c1 1179592907 KPMUOWDNHLOZKF-AZUAARDMSA-N 322.427 4.903 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1Oc1cncc(Cl)c1 1185439406 RKLBEJHEJWGYIK-UHFFFAOYSA-N 316.147 4.601 30 20 DJED CC(C)(C)c1ccc(C#N)c(NCCc2cc3ccccc3o2)n1 1185450717 JAKUXMMAVMLVKV-UHFFFAOYSA-N 319.408 4.652 30 20 DJED CC(C)CN(CC(C)(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 1197132143 ISCHNIXFADXEDZ-UHFFFAOYSA-N 321.852 4.748 30 20 DJED CC1(C)C[C@H](c2ccccc2)N(Cc2cccc(F)c2C#N)C1 1308830722 RKUWWMFSLPIPND-LJQANCHMSA-N 308.400 4.671 30 20 DJED CCc1ccccc1CCN(CC)[C@@H](C)c1ccc(C#N)cc1 1459352626 PGIFDNBZISNOBJ-KRWDZBQOSA-N 306.453 4.746 30 20 DJED CC[C@H](CN(CC)C(=O)c1cc(C#N)ccc1C)c1ccccc1 1523396132 LADFVYFLSPKNGC-GOSISDBHSA-N 320.436 4.523 30 20 DJED Cc1ccc(-c2ccc(C)c(NC(=O)c3ccsc3C#N)c2)o1 1531633100 ONZVDMCHUHTVRG-UHFFFAOYSA-N 322.389 4.749 30 20 DJED CCC(CC)(CNc1ccc(C#N)c(C)n1)c1ccc(F)cc1 1612643076 FNQYMPIQJNNESY-UHFFFAOYSA-N 311.404 4.571 30 20 DJED Cc1nc(N[C@H](Cc2ccccc2)C(C)C)c(Cl)cc1C#N 1612899305 MKQBZLIHGMYUBW-QGZVFWFLSA-N 313.832 4.594 30 20 DJED C[C@H](CNc1ccccc1O[C@@H](C)C#N)CC1CCCCC1 1620873350 YGNWDQGPQFUTHN-HOTGVXAUSA-N 300.446 4.996 30 20 DJED C[C@H]1CCCC[C@@H]1COc1cc(C#N)ccc1Br 1641344237 IKWIFZLBFLAIRG-WCQYABFASA-N 308.219 4.526 30 20 DJED COc1ccc(C#N)cc1CSCc1ccc(SC)cc1 1652813461 HPVXBHYSRUXPQY-UHFFFAOYSA-N 315.463 4.722 30 20 DJED Cc1ccc2sc(CSc3cccc(F)c3C#N)nc2c1 1656593090 QRFHMEXTPLEHLE-UHFFFAOYSA-N 314.410 4.908 30 20 DJED N#CCC1(CN(Cc2ccc(Cl)c(Cl)c2)C2CC2)CC1 1657023692 MNAIEVGBDGEPTK-UHFFFAOYSA-N 309.240 4.652 30 20 DJED CCC(CC)(CNC1CCC(C)(C#N)CC1)c1ccc(F)cc1 1657724460 WQVKYDHKRXXIBA-UHFFFAOYSA-N 316.464 4.946 30 20 DJED CC(C)(C)C1CCC(CN(CCC#N)Cc2cccnc2)CC1 1658673689 JBTFUQRUWVYVFO-UHFFFAOYSA-N 313.489 4.650 30 20 DJED N#CC1(CCN2CCC[C@@H]2c2ccc(F)cc2F)CCCCC1 1658993203 JIRUEDVLGROJAP-GOSISDBHSA-N 318.411 4.966 30 20 DJED CC(C)(C)c1ccc(C(=O)/C=C\c2cccc(CC(=O)O)c2)cc1 1776120112 WICKHCKOTSHABA-GHXNOFRVSA-N 322.404 4.507 30 20 DJED COc1cc(C(=O)/C=C/c2cccc(Cl)c2Cl)ccc1O 5156311 SBHKSELBPQZKJJ-FNORWQNLSA-N 323.175 4.604 30 20 DJED N#CCOc1ccc(NCc2cc(Cl)cc(Cl)c2)cc1 37423602 KDMWTCCEZSZRNI-UHFFFAOYSA-N 307.180 4.508 30 20 DJED CCCCOc1ccc(/C=C/C(=O)c2cccs2)cc1OC 40145028 PFIGLJTWEZWJIK-VQHVLOKHSA-N 316.422 4.832 30 20 DJED Cc1cn2c(/C=C/C(=O)c3ccc(C)c(C)c3)c(C)nc2s1 58452783 DXLBAEAMFRZVCP-BQYQJAHWSA-N 310.422 4.526 30 20 DJED Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c(C)c1 66157460 CUQLRNLXRRMVAA-UHFFFAOYSA-N 321.424 4.618 30 20 DJED N#CC1CCN(Cc2ccc(-c3ccc(Cl)cc3)s2)CC1 123661685 ILKMNCGSZUWSLA-UHFFFAOYSA-N 316.857 4.804 30 20 DJED CCc1nnc(Oc2ccc(Cl)c(Cl)c2)c(C#N)c1CC 125035331 SWURZODQTGHINX-UHFFFAOYSA-N 322.195 4.572 30 20 DJED N#Cc1ccc(CNc2ccc(COC3CCCC3)cc2)s1 176974107 UZVGNWHUTBTTKI-UHFFFAOYSA-N 312.438 4.691 30 20 DJED C=CCC[C@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 180039924 GAZUJXWHCRHZSQ-KRWDZBQOSA-N 314.360 4.531 30 20 DJED CCCOc1ccc(N[C@H](C)c2ccc(OCC#N)cc2)cc1 194764982 YEHMPPUCFDICKF-OAHLLOKOSA-N 310.397 4.551 30 20 DJED C[C@H](N[C@@H]1CCCc2c1[nH]c1ccccc21)c1ccc(C#N)cc1 289160163 GYBGKYVXPKCKIH-VBKZILBWSA-N 315.420 4.768 30 20 DJED C[C@@H]1C[C@@H](Nc2cccc(OCC#N)c2)C[C@H](c2ccccc2)C1 326811000 DFYBZWUICRJPGI-ILZDJORESA-N 320.436 4.973 30 20 DJED CC[C@@H]1CCCC[C@H]1/N=C(/O)CCc1ncc(C(C)(C)C)o1 328815059 PKFOWWPSGSWYER-ZIAGYGMSSA-N 306.450 4.830 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCCc2sccc21 344135226 PNZDBLLQOFFDEM-ROUUACIJSA-N 308.450 4.664 30 20 DJED C[C@@H]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)c2ccccc21 354694653 YOJZNKIONLPMRL-SJLPKXTDSA-N 318.420 4.614 30 20 DJED CC(C)c1ccsc1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 416113109 WQDRNOXNGLIVIY-KRWDZBQOSA-N 324.449 4.551 30 20 DJED C[C@@H](NCc1csc(Cl)c1Cl)c1ccc(C#N)cc1 432242414 ZUMMDOBNKZUNOA-SECBINFHSA-N 311.237 4.777 30 20 DJED Cc1nc(CNc2ccccc2S[C@H](C)CC#N)c(C)s1 443468393 WAYNODYEDRWPGO-LLVKDONJSA-N 317.483 4.766 30 20 DJED Cc1cc(CNc2ccc(Cl)c(OC(F)F)c2)ccc1C#N 443994179 CRMHVJGCTABGHZ-UHFFFAOYSA-N 322.742 4.734 30 20 DJED CC[C@@H](Nc1cc(OC)ccc1Cl)c1ccc(C#N)cc1 447597503 GJJCKSURBUMDFC-MRXNPFEDSA-N 300.789 4.783 30 20 DJED C=CC(C)(C)C(=O)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 449945556 QFCCZPQAABVGCO-OAHLLOKOSA-N 323.436 4.752 30 20 DJED CC(C)CC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccoc1 453394591 WCDBHPMUKWYYMU-GOSISDBHSA-N 300.377 4.557 30 20 DJED CC(C)(C)CN(C(=O)CCc1ccc(C#N)cc1)c1ccccc1 486599657 GGNVYMKTGSXYJU-UHFFFAOYSA-N 320.436 4.570 30 20 DJED C=C[C@@H]1CCCCN1C(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 488879952 PRHQYRYRNDJFBP-IPMKNSEASA-N 321.505 4.709 30 20 DJED CC[C@@](C)(C#N)c1nc(-c2cccc(Oc3ccccc3)c2)no1 504215671 KQIXLWVGRDLRRC-IBGZPJMESA-N 319.364 4.720 30 20 DJED N#Cc1nnc2ccccc2c1Oc1ccc(Cl)c(Cl)c1 524856713 GXPVRHAHSGUCBO-UHFFFAOYSA-N 316.147 4.601 30 20 DJED CCSCc1cccc(NCc2ccc(C#N)cc2F)c1 533446446 BPVRPMYPMZEWNX-UHFFFAOYSA-N 300.402 4.563 30 20 DJED N#CCc1ccc(CNc2cccc(Oc3ccccn3)c2)cc1 541293460 PJKIDWQMVQYVQL-UHFFFAOYSA-N 315.376 4.552 30 20 DJED C=CCCN[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 544471479 SNNQPFZMWCWEOV-LLVKDONJSA-N 306.862 4.999 30 20 DJED CC[C@H](CC#N)N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 545872192 XBHHRJHUHAYABV-BZUAXINKSA-N 310.363 4.623 30 20 DJED Cc1nc(C(C)(C)C)sc1[C@H](C)NCC(C)(C)CCC#N 562044563 HMAGWQQEZKOCRZ-LBPRGKRZSA-N 307.507 4.730 30 20 DJED C[C@@H]1CCCC[C@H]1c1noc([C@@H]2C[C@H]2c2cccc(C#N)c2)n1 568978670 ZFJWVJNKUPUBRG-VDNDLQMASA-N 307.397 4.506 30 20 DJED Cc1cc(NC(=O)c2cc(C#N)ccc2Cl)cc(C)c1Cl 572025103 QEGPHXYMBOXULQ-UHFFFAOYSA-N 319.191 4.734 30 20 DJED CC[C@H](NCc1ccccc1N(C)C(C)C)c1ccc(C#N)cc1 578952223 FUGZPBLFFQVSFX-FQEVSTJZSA-N 321.468 4.644 30 20 DJED N#CCCCCCC(=O)N1CCCCC[C@H]1/C=C\c1ccccc1 588755580 PVXFIFKNIYOEJA-IBIZNAIESA-N 324.468 4.945 30 20 DJED CO[C@H](C)c1nc(CSc2ccc(Cl)cc2C#N)cs1 601911758 IXURWYHPEIXRJG-SECBINFHSA-N 324.858 4.668 30 20 DJED C=CC[C@H](C)NCc1cn(Cc2ccccc2)c2ccccc12 604892935 NTGOPTGMAQGNLN-KRWDZBQOSA-N 304.437 4.744 30 20 DJED N#CCCCOc1cccc(CN(C2CCCCC2)C2CC2)c1 611254843 JCLMWBGAPYNPDF-UHFFFAOYSA-N 312.457 4.666 30 20 DJED CCc1nc2cc(N[C@@H]3CCCc4cc(C#N)ccc43)ccc2o1 611468634 MTVOKEIFFDTDAX-QGZVFWFLSA-N 317.392 4.751 30 20 DJED O=C(/C=C/C1=Cc2ccccc2OC1)c1c[nH]c2cc(F)ccc12 726741007 RTLDIHWYTRYZGX-VMPITWQZSA-N 319.335 4.522 30 20 DJED C#Cc1cccc(N(CC)C(=O)c2cc(Cl)cc(Cl)c2)c1 728481214 PNHWKYMIWMNTHP-UHFFFAOYSA-N 318.203 4.641 30 20 DJED COc1ccc2oc(C(C)=NNc3cccc(F)c3)c(C)c2c1 729141605 BAGVQJQMAXQYRD-UHFFFAOYSA-N 312.344 4.725 30 20 DJED Cc1cccc2c1C/C(=C\c1cccc(Br)c1)C2=O 729151708 VWFRYENJWJIILQ-MDWZMJQESA-N 313.194 4.580 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1C#N 741840324 PDFNLKKQLZERLS-UXBLZVDNSA-N 313.356 4.616 30 20 DJED C[C@@H](/N=C\c1cc(Cl)cc(Cl)c1O)c1cccc(C#N)c1 743501607 OOWGUWBHDIQGLM-ZHLXBYETSA-N 319.191 4.751 30 20 DJED COc1cccc(O)c1C=Nc1ccc2nc(C3CC3)sc2c1 746340613 NIVOBUWXBVRYQO-UHFFFAOYSA-N 324.405 4.639 30 20 DJED CC(=NNc1ncnc2sc(C)c(C)c12)[C@H](C)c1ccccc1 746370903 PTFOJGRCIMOXBE-NSHDSACASA-N 324.453 4.900 30 20 DJED C#CCC(C)(C)C(=O)Nc1ccc(SC2CCCC2)cc1 767067337 QCVWLYPRMPIKCZ-UHFFFAOYSA-N 301.455 4.709 30 20 DJED CC(C)(C#N)CCCCOC(=O)/C=C/c1ccc(Cl)cc1 768394077 VKZLJGJCXJPFIR-JXMROGBWSA-N 305.805 4.616 30 20 DJED CC(C)[C@H](c1ccccc1)N(C)Cc1ccc(O[C@H](C)C#N)cc1 769402776 CZURJFMQTTUHMG-DYESRHJHSA-N 322.452 4.807 30 20 DJED C=CCN(C(=S)Nc1c(Cl)ccc(C)c1Cl)C1CC1 771543006 MJCKBPDRUIXKQK-UHFFFAOYSA-N 315.269 4.649 30 20 DJED C#CCCCCC(=O)Nc1cc(Cl)ccc1OC1CCCC1 778201052 GAZMSGWUUOEAEQ-UHFFFAOYSA-N 319.832 4.794 30 20 DJED CCC(=NNc1ncncc1Cl)c1cccc2ccccc12 780282849 JIBGJXYIAAEUJJ-UHFFFAOYSA-N 310.788 4.509 30 20 DJED C=CC[C@@H](N[C@@H](C)CCc1ccc(F)cc1F)c1ccncc1 796770018 BANRZOPRSSWSBN-IFXJQAMLSA-N 316.395 4.588 30 20 DJED Cn1ncc(C2CC2)c1/C=C/C(=O)c1cc(Cl)cc(Cl)c1 849247681 VSGGMQNJLSMYHY-SNAWJCMRSA-N 321.207 4.500 30 20 DJED Cc1noc(C)c1/C=C/C(=O)c1ccc(N2CCCCCC2)cc1 916132824 SOTWYLXMNUDHDA-VAWYXSNFSA-N 324.424 4.568 30 20 DJED CCCC1C/C(=C\c2cccnc2)C(=O)/C(=C/c2cccnc2)C1 916137961 YKKRRNHLJNCTPE-KVOOEGMKSA-N 318.420 4.723 30 20 DJED O=C(/C=C\c1cccnc1)c1ccc(Oc2ccccc2)cc1 916141790 QQQWJSKZDQGREP-JYRVWZFOSA-N 301.345 4.770 30 20 DJED Cc1ccccc1C=NOCc1csc(-c2cccs2)n1 920398915 HOTPYAYMXSITCC-UHFFFAOYSA-N 314.435 4.731 30 20 DJED CCn1cc(C(=O)/C=C\c2ccc(-c3ccc(C)cc3)s2)cn1 920991922 QYOZJXPXGBYIGV-NTMALXAHSA-N 322.433 4.836 30 20 DJED Cc1c(Cl)cnc(N2CCC[C@H]2CCC2CCCC2)c1C#N 1162812157 KQBHZEBSHXTBMD-HNNXBMFYSA-N 317.864 4.854 30 20 DJED Cc1c(C#N)c(SC[C@H]2CCC[C@H](C)C2)nc2c1CCC2 1165282863 YREJRYZDSYGXDC-JSGCOSHPSA-N 300.471 4.669 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1Cl)C(C)(C)c1ccccc1 1307643414 PASSJHRGRXCLFL-CQSZACIVSA-N 312.844 4.668 30 20 DJED CCSCc1ccc(-c2nnc(-c3cccc(C#N)c3)o2)cc1 1322585952 UNIHQOZHSRNORW-UHFFFAOYSA-N 321.405 4.528 30 20 DJED CC(C)(C)Sc1ccc(NC(=O)c2csc(C#N)c2)cc1 1352115352 YMYMXEBJDVZAMN-UHFFFAOYSA-N 316.451 4.763 30 20 DJED CCCCC1CCC(C(=O)OCc2cc(C#N)ccc2F)CC1 1435412828 NQCLKLNUZLQLMP-UHFFFAOYSA-N 317.404 4.737 30 20 DJED Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)CC3(C#N)CCCCC3)C2)cc1 1436086730 IVMMFEPNYMWRRY-IEBWSBKVSA-N 324.468 4.564 30 20 DJED C[C@H](OC(=O)[C@H]1CC[C@H](C2CCC2)CC1)c1ccc(C#N)cc1 1457192612 OYPGVIQSKCKUCP-JVPBZIDWSA-N 311.425 4.769 30 20 DJED N#Cc1cc(CN2CC3(CCCC3)[C@@H]2c2ccccc2)ccc1F 1460204879 AQPZLCGLGDOEEP-FQEVSTJZSA-N 320.411 4.815 30 20 DJED N#Cc1cc(CN2CC3(CCCC3)[C@H]2c2ccccc2)ccc1F 1460204883 AQPZLCGLGDOEEP-HXUWFJFHSA-N 320.411 4.815 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)Cc1ccccc1Cl 1460855184 ZHYNSVVELMPJJS-UHFFFAOYSA-N 320.779 4.546 30 20 DJED Cc1cc(Cl)cc(C(=O)N(c2ccccc2C#N)C2CCC2)c1 1528687083 RLEQLHHJZJQATJ-UHFFFAOYSA-N 324.811 4.719 30 20 DJED CC[C@H](C#N)N(C)C(=O)c1ccc(C)cc1Sc1ccccc1 1530452660 VCZUPLRWHIZHNC-OAHLLOKOSA-N 324.449 4.520 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)N(CCC#N)Cc1ccco1 1542438695 REURBHFDVSLYET-KRWDZBQOSA-N 316.445 4.518 30 20 DJED C[C@@H]1C[C@@H]1[C@@H](Nc1c(C#N)cccc1C#N)c1ccc(Cl)cc1 1559105169 JHFDUHRMFHFILU-LWLIDHTLSA-N 321.811 4.893 30 20 DJED Cc1cccc2[nH]c(CNc3cc(C#N)ccc3OC(C)C)cc12 1560497669 ZRYGFIICTGESTO-UHFFFAOYSA-N 319.408 4.747 30 20 DJED N#Cc1ccc(F)c(NC(=O)C2=C(c3ccccc3)CCCC2)c1 1583534087 BFFPMQFTCDODOI-UHFFFAOYSA-N 320.367 4.664 30 20 DJED Cc1nc(N[C@H](C)c2ccc(F)cc2Cl)c(Cl)cc1C#N 1612426063 QJFKTBOROWMMHQ-SECBINFHSA-N 324.186 4.881 30 20 DJED Cc1cc(C)cc(NC(=O)[C@@H](C)Sc2ccc(C#N)c(C)c2)c1 1614552678 BDQHUFIHIDTFAF-OAHLLOKOSA-N 324.449 4.603 30 20 DJED Cc1cc(CN[C@H]2C[C@@H](C(C)C)c3ccccc32)ccc1C#N 1621031334 OHEKOLNJWNMEJX-SFTDATJTSA-N 304.437 4.841 30 20 DJED N#Cc1cc(Cl)ccc1CN(CC1CCCCC1)C1CC1 1652313131 AEGSJIPXQNKXHQ-UHFFFAOYSA-N 302.849 4.756 30 20 DJED Cc1cc(C)c(/C=C\CN[C@H]2CCc3cc(C#N)ccc32)c(C)c1 1657294542 FDAVOWKBAOESFO-XSAUMEDDSA-N 316.448 4.774 30 20 DJED CC[C@@H](C)c1ccc(/C=C2/CCc3occ(C(=O)O)c3C2=O)cc1 1776698681 SBGMZODJSXYYOY-DYTQJMLRSA-N 324.376 4.704 30 20 DJED N#Cc1ccc(F)c(CSc2nc3ccccc3s2)c1 11297093 WOYDWSRVJPDCNJ-UHFFFAOYSA-N 300.383 4.599 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1F)c1ccc(Cl)cc1Cl 21018443 PTDQWKQAONFRJP-SNVBAGLBSA-N 323.198 4.855 30 20 DJED COc1cccc2cc(C(=O)/C=C/c3c(F)cccc3F)oc12 23987773 YIEAZELRVHMARD-CMDGGOBGSA-N 314.287 4.616 30 20 DJED Cc1ccc(-c2nc(CSCc3ccccc3C#N)co2)cc1 24940899 BIDKGFFWLUVOBO-UHFFFAOYSA-N 320.417 4.955 30 20 DJED CC[C@H](CC(=O)Nc1ccccc1SCCC#N)C(C)C 108200671 OXWWGRCNOTYNJR-CQSZACIVSA-N 304.459 4.703 30 20 DJED C[C@@H](NCc1ccccc1C#N)c1nc(-c2ccccc2)cs1 162069792 WFZQQIWKRKOGMH-CQSZACIVSA-N 319.433 4.533 30 20 DJED Cc1ccc(N=C(O)c2coc(C3CCCC3)n2)c2cccnc12 328779573 GUGBSXAQUJKEGV-UHFFFAOYSA-N 321.380 4.825 30 20 DJED CC(C)C[C@](C)(C#N)/N=C(/O)c1cc(F)c(Cl)cc1Cl 330765484 SZQMMYYXLRNOTR-CQSZACIVSA-N 317.191 4.765 30 20 DJED Cc1ccc2c(C(=O)N(CCC#N)CCC(C)C)csc2c1 359725063 YRXLFPLQHMBXHU-UHFFFAOYSA-N 314.454 4.612 30 20 DJED COc1ccc([C@@H](C)Nc2cccc(OCCCC#N)c2)c(C)c1 414089133 ANWQUURKIRSRIV-MRXNPFEDSA-N 324.424 4.859 30 20 DJED CCCCCN(C(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C 437587458 GLNMLCCBBWYKAE-UHFFFAOYSA-N 307.825 4.644 30 20 DJED N#C[C@@H]1CC[C@H](NCC2(c3ccc(Cl)cc3Cl)CCC2)C1 442846149 OATASHQDORMYJN-OCCSQVGLSA-N 323.267 4.697 30 20 DJED N#C[C@@H]1CC[C@@H](NC2(c3c(Cl)cccc3Cl)CCC2)C1 442859632 KANIKLPCZJRSMO-VXGBXAGGSA-N 309.240 4.654 30 20 DJED CC1(C#N)CCC(NCC2(Cc3cccc(Cl)c3)CC2)CC1 459712476 NAQBCCQDZNKTJD-UHFFFAOYSA-N 316.876 4.725 30 20 DJED C=CC[C@H](CC)NC(=O)N1CCC[C@@H]1c1cccc(C)c1C 466376648 LOQILUIIAYTOFC-FUHWJXTLSA-N 300.446 4.505 30 20 DJED Cc1ccc2ncc(C#N)c(OCc3csc(C(C)C)n3)c2c1 488301706 TYVQNRDHXACQSF-UHFFFAOYSA-N 323.421 4.574 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1CCCC[C@@H]1C 520394021 WWXWNPORSZSASY-QFBILLFUSA-N 312.457 4.513 30 20 DJED CCOc1cc(Cl)ccc1N[C@@H](C)c1ccc(C#N)cc1 531836299 GIVJQTUGTXLOGW-LBPRGKRZSA-N 300.789 4.783 30 20 DJED C=CCN(CC=C)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 533778441 RWDUGENIMJNYMV-UHFFFAOYSA-N 322.330 4.534 30 20 DJED CC(C)c1cccc(N(C)C(=O)c2ccc(Cl)c(C#N)c2)c1 540883523 ZETYGYXTEYNHFC-UHFFFAOYSA-N 312.800 4.612 30 20 DJED COc1ccc([C@H](CCC#N)NC[C@@H](C)c2cccc(C)c2)cc1 546308618 NKKRVHWSUXXFDS-UTKZUKDTSA-N 322.452 4.742 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N1CCC(CCC#N)CC1 566274977 NTQZLGMJHSOPCH-FUHWJXTLSA-N 324.468 4.518 30 20 DJED C[C@@](C#N)(NC(=O)c1cc(F)c2ccccc2c1)C1CCCCC1 573630357 SCFPMSZUJNRWRA-FQEVSTJZSA-N 324.399 4.571 30 20 DJED Cc1c(NCCCC(C)(C)C#N)cnn1-c1ccc(Cl)cc1 584805974 ZKDOMZOKRYFCRV-UHFFFAOYSA-N 316.836 4.576 30 20 DJED Cc1ccccc1[C@@H](c1noc(CCCCCC#N)n1)C(C)C 589156561 WUIVNNFCRLSQFO-SFHVURJKSA-N 311.429 4.792 30 20 DJED CC(C)(C)c1ccc([C@H](NCCCCC#N)C(F)(F)F)cc1 608832841 VCDWEAWBBYLYCZ-HNNXBMFYSA-N 312.379 4.871 30 20 DJED CC(C)c1ccc(NC(=O)N[C@H](C)c2cccc(C#N)c2)cc1 610317331 PDXHDAZPVAJBRN-CQSZACIVSA-N 307.397 4.564 30 20 DJED C=C(C)[C@@H](N[C@@H](C)c1ccc(C)nc1C)c1ccc(F)c(F)c1 681401424 SBPWEXZNVGWFJQ-IFXJQAMLSA-N 316.395 4.945 30 20 DJED CCC(=NNc1nc2ccccc2[nH]1)c1ccc(Cl)s1 733201734 XSLKHMNXNSHHTL-UHFFFAOYSA-N 304.806 4.504 30 20 DJED Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2[N+](=O)[O-])s1 739425386 PICYCGBEZNDJHK-ZZXKWVIFSA-N 307.758 4.514 30 20 DJED CCCCCCCN(Cc1nc(O)c2ccccc2n1)C(C)C 740875859 IAMNFHADJTWLLG-UHFFFAOYSA-N 315.461 4.516 30 20 DJED Clc1ccc2c(c1)CC(=NNc1nccc3sccc13)C2 743438543 NBWUSEONEQGFMC-UHFFFAOYSA-N 313.813 4.516 30 20 DJED CC(=NNc1oc(C(C)C)nc1C#N)c1oc2ccccc2c1C 745612069 MWJNEEHJLVAYMX-UHFFFAOYSA-N 322.368 4.560 30 20 DJED C#Cc1cccc(N(C(=O)[C@@H]2C[C@H]2c2sccc2C)C(C)C)c1 747886789 VXFYWHAXFJRYBU-QZTJIDSGSA-N 323.461 4.583 30 20 DJED COc1ccc(C(=O)/C=C/c2ccc(Cl)nc2)c2ccccc12 748999347 RGVNXJIZCZOTBY-RMKNXTFCSA-N 323.779 4.793 30 20 DJED Cn1c(NN=C2CC(c3cccc(Cl)c3)C2)nc2ccccc21 753924353 QAYYLWKNEHLAOO-UHFFFAOYSA-N 324.815 4.572 30 20 DJED CCC(CC)NN=C1CCC(O)(c2ccc(C(C)C)cc2)CC1 753931956 LCYZUELALCBWCQ-UHFFFAOYSA-N 316.489 4.706 30 20 DJED Cc1cc(/C=C2/Cc3ccc(Cl)cc3C2=O)cnc1Cl 762447204 NGEWPIXAHPVFHK-XGICHPGQSA-N 304.176 4.519 30 20 DJED CC(C)Oc1ccc(NCc2ccnc3ccccc23)cc1C#N 779604923 KUUXVNVADQUXIO-UHFFFAOYSA-N 317.392 4.506 30 20 DJED C=CCCN(OCc1ccccc1)C(=O)Nc1cscc1C 782791209 XPNNGPDTDAZLED-UHFFFAOYSA-N 316.426 4.598 30 20 DJED Cc1ccc(C)c(C(=O)/C=C/c2cnc(-c3ccco3)s2)c1 789130734 QOLGOPLFYONQCS-BQYQJAHWSA-N 309.390 4.916 30 20 DJED CC[C@H](C)c1ccccc1OC(=O)CCc1ccc(C#N)cc1 790068630 JXKZTSGQJOCBRO-HNNXBMFYSA-N 307.393 4.610 30 20 DJED CCSc1ccc(C(=O)/C=C/c2ccc(C#N)c(OC)c2)cc1 799497122 IBNGKXNSRFAGBZ-VZUCSPMQSA-N 323.417 4.575 30 20 DJED C[C@@H](C#N)OCCS[C@H](C)c1ccc(Cl)c(Cl)c1 801657566 FXUZAENCMGLYFN-VHSXEESVSA-N 304.242 4.716 30 20 DJED C[C@H](C#N)OCCSCc1ccc(-c2ccsc2)cc1 802753338 YVSXMWDDEQGZQJ-CYBMUJFWSA-N 303.452 4.577 30 20 DJED Cc1oc2ccccc2c1/C=C1\Cc2nc(Cl)ccc2C1=O 806579421 GNJVCQJLLFTWBA-DHZHZOJOSA-N 309.752 4.612 30 20 DJED CC(=NNc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 814693477 RZJYLAQELBJVPG-UHFFFAOYSA-N 311.385 4.785 30 20 DJED CCC(=NNc1ccc(C(F)(F)F)cc1)c1cccc(N)c1 814882214 KKGAYOBYOHFWDJ-UHFFFAOYSA-N 307.319 4.514 30 20 DJED CC[C@@H](NCC(C)(C)CC#N)c1ccc(Cl)c(Cl)c1O 840787730 OTAZVCPGOAMEOO-GFCCVEGCSA-N 315.244 4.680 30 20 DJED C[C@@H](C#N)CSc1ccccc1NCc1csc(Cl)n1 853058894 OIERFAMTLPCDDF-JTQLQIEISA-N 323.874 4.660 30 20 DJED C=CCCC[C@H](NCc1cccc(-c2ccc(C)cc2)c1)C(=O)O 900068996 SLYBUQGILJYOJW-FQEVSTJZSA-N 323.436 4.561 30 20 DJED O=C(/C=C\c1ccc2c(c1)OCCO2)c1cccc2ccccc12 916134872 PGROTZANIBMIJS-NTMALXAHSA-N 316.356 4.507 30 20 DJED COc1ccc2ccccc2c1C=NNc1cc(F)cc(F)c1 920376718 OXGVZBFYNHETNW-UHFFFAOYSA-N 312.319 4.573 30 20 DJED COc1cccc2cc(C(C)=NN[C@H](C)c3ccccc3)oc12 920382597 JEDIAIUILUSRCK-CYBMUJFWSA-N 308.381 4.516 30 20 DJED N#C[C@H]1CCC[C@@H](OC(=O)c2cc3cc(Cl)ccc3s2)C1 1275465050 RKZWRVVGLKCTFV-GXFFZTMASA-N 319.813 4.794 30 20 DJED N#Cc1cccc(-c2nnc([C@H]3CCC[C@H]3c3ccccc3)o2)c1 1329224173 YIMRDTFGDMMKAW-ROUUACIJSA-N 315.376 4.660 30 20 DJED CCCCCCCCCC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1329739443 UTAZHBZVAMKRSV-UHFFFAOYSA-N 318.417 4.578 30 20 DJED N#Cc1cc(NC(=O)CC2CC(c3ccccc3)C2)ccc1Cl 1351842900 LQTYEOQYWOWIHG-UHFFFAOYSA-N 324.811 4.734 30 20 DJED C=C(Cl)CNC(=O)c1ccc(Sc2ccccc2C)cc1 1444356427 IUVIFIHFIJBXOS-UHFFFAOYSA-N 317.841 4.629 30 20 DJED Cc1c(C#N)cccc1C(=O)N1Cc2ccccc2-c2ccccc21 1526994751 STTCVLYZJPBDPR-UHFFFAOYSA-N 324.383 4.694 30 20 DJED Cc1cc([C@@H](Nc2ccc(Cl)c(C#N)n2)C2CC2)ccc1F 1559144105 YOFNQIBUERNQMQ-KRWDZBQOSA-N 315.779 4.617 30 20 DJED CC1(C)CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC(C)(C)C1 1587076712 GYOHFYHVVGBNMM-UHFFFAOYSA-N 318.848 4.500 30 20 DJED C[C@H]1C[C@@H](C)Cc2c1sc(NC(=O)C1(F)CCCC1)c2C#N 1588271197 QBJRNDGDBRANOV-MNOVXSKESA-N 320.433 4.526 30 20 DJED Cc1ccc2sc(Sc3snc(Cl)c3C#N)nc2c1 1612945933 OKZYXHDSXRNVNS-UHFFFAOYSA-N 323.855 4.738 30 20 DJED CC(C)Oc1ccccc1COc1cc(Cl)cc(C#N)c1 1613837047 JHYXVYOOZNUZGJ-UHFFFAOYSA-N 301.773 4.578 30 20 DJED CCCC[C@@H](CC)CCCN(C)C(=O)c1ccc(F)c(C#N)c1 1618244620 XBFFXEHJEKKAPI-OAHLLOKOSA-N 318.436 4.766 30 20 DJED Cc1ccc([C@@H]2CCCCN2Cc2ccc(C#N)c(C)c2)cc1 1621193344 FDMYXNXNWMORQX-NRFANRHFSA-N 304.437 4.902 30 20 DJED Cc1cc(CN(C)[C@H]2CCC[C@@H]2c2ccccc2)ccc1C#N 1621386297 XRLFTBZHNDSOAY-RTWAWAEBSA-N 304.437 4.635 30 20 DJED Cc1ccc(COc2ccc(C#N)c(C)c2)c(Br)c1 1641098632 OPQUHMKTBXCEQQ-UHFFFAOYSA-N 316.198 4.517 30 20 DJED CC(C)(C)c1ccc(C2CCN([C@H]3CC[C@H](C#N)C3)CC2)cc1 1643151186 VTVYDUFWJKFUET-JXFKEZNVSA-N 310.485 4.856 30 20 DJED CC1(C)[C@H](c2ccccc2)CCN1Cc1ccc(Cl)cc1C#N 1643471988 SPNXAXIXICXATN-IBGZPJMESA-N 324.855 4.980 30 20 DJED C[C@@H]1CCN(C)c2ccccc2N1CCC1(C#N)CCCCC1 1644794152 FIPUOEOVPVMXHX-QGZVFWFLSA-N 311.473 4.586 30 20 DJED CC[C@H](C)c1ccc([C@@H](Nc2ccnc(C#N)n2)C(C)C)cc1 1651323696 JNUDRZTZAOCPGM-LIRRHRJNSA-N 308.429 4.671 30 20 DJED Cc1ccc(CSc2nc(-c3ccccc3)ccc2C#N)cn1 1651813384 YSSZDXFNBWQCDB-UHFFFAOYSA-N 317.417 4.616 30 20 DJED CCCN(Cc1ccc(C#N)cc1)[C@H](CCOC)c1ccccc1 1653157151 YURLGZSBEIRKFN-OAQYLSRUSA-N 322.452 4.548 30 20 DJED Cc1cc(Nc2ccc(N3CCCC[C@H]3C)cc2C)ncc1C#N 1655273321 DTGDPXGCGHASEV-MRXNPFEDSA-N 320.440 4.693 30 20 DJED Cc1ccc(C2CC(N[C@H]3CCCc4cc(C#N)ccc43)C2)cc1 1665022209 NZOJVJYGJXUCOG-AOMIVXANSA-N 316.448 4.780 30 20 DJED CCN(C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@@H](C)C(C)C 1672202277 ZNYQYUJJWZEGEN-LBPRGKRZSA-N 321.490 4.816 30 20 DJED O=C(O)c1cc(NN=CC2CCCCCCC2)ccc1Cl 1776033628 KVNQEBXLJKRNGF-UHFFFAOYSA-N 308.809 4.796 30 20 DJED CC[C@@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 25439987 JVVLXPNJXGKIOJ-GOSISDBHSA-N 306.409 4.620 30 20 DJED C#Cc1cccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c1 43983475 GXDIIMSGTZCERI-SFHVURJKSA-N 324.811 4.690 30 20 DJED CC(C)Oc1cccc(/C=C/C(=O)c2c[nH]c3ccccc23)c1 83192632 ITJGTFNJFMFSFG-ZHACJKMWSA-N 305.377 4.851 30 20 DJED N#Cc1cc(NC(=O)c2cc3ccccc3s2)ccc1Cl 105410156 LDTHGPGIHXOKJD-UHFFFAOYSA-N 312.781 4.679 30 20 DJED COc1cc(C(C)=O)ccc1S[C@@H](C)c1ccc(C#N)cc1 123063055 WKHAIHQZWWYTRQ-ZDUSSCGKSA-N 311.406 4.623 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2nc(-c3ccccc3)cs2)s1 134492352 AAFVDSOWMWJEGR-VQHVLOKHSA-N 322.414 4.639 30 20 DJED Cc1nc(C(C)C)sc1[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 154322987 FQSKIUSNQUOMJD-CHWSQXEVSA-N 313.470 4.858 30 20 DJED N#Cc1ccc(Cl)cc1N[C@@H]1CCO[C@H](c2ccccc2)C1 160584333 XDKXFKDXKJXGCR-AEFFLSMTSA-N 312.800 4.544 30 20 DJED CC[C@H](Nc1ccc(C(F)(F)F)c(C#N)c1)c1c(C)noc1C 167343342 JYZXQVUWUJWEDC-AWEZNQCLSA-N 323.318 4.745 30 20 DJED N#Cc1csc(CNCc2ccc(Oc3ccccc3)cc2)c1 177693863 IOJJZJBIIBUWAI-UHFFFAOYSA-N 320.417 4.702 30 20 DJED Oc1ccccc1/C=N\[C@@H](CC(F)(F)F)c1ccc(F)cc1 255511706 BRNYWNASHFBRLH-LKEIMFIWSA-N 311.278 4.644 30 20 DJED CC[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1c(C)noc1C 301833392 SDUBFORCZOXVNI-CQSZACIVSA-N 323.318 4.745 30 20 DJED CCCN(CCCCC#N)[C@H]1C[C@H](OCC)C12CCCCC2 303841744 BTVQCTKZDLGBAC-ROUUACIJSA-N 306.494 4.520 30 20 DJED N#CCOc1ccc(N[C@@H]2CCCC[C@@H]2c2ccccc2)cc1 319649339 AMWWBAVJPJQGSE-WOJBJXKFSA-N 306.409 4.727 30 20 DJED C=CCC(CC=C)C(=O)Nc1nc(-c2cc(C)oc2C)cs1 343625556 SBXDMSQDBNIOKW-UHFFFAOYSA-N 316.426 4.727 30 20 DJED N#CCCCCN[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 362277530 DIFMTYHBZOFUST-CVEARBPZSA-N 310.363 4.625 30 20 DJED CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(C#N)CCC1 416735098 REXLPGVKIRVINE-UHFFFAOYSA-N 313.445 4.749 30 20 DJED N#CC1(CSCc2ncc(-c3cccc(Cl)c3)o2)CCC1 419575555 DYPFJWSJWMUIDL-UHFFFAOYSA-N 318.829 4.922 30 20 DJED CC(C)c1ccccc1NC(=O)[C@@H](C#N)CCc1ccccc1 433231552 KLOFXCYPPOWXBO-QGZVFWFLSA-N 306.409 4.521 30 20 DJED C=CCCCCCN(C)C(=O)c1ccncc1Oc1ccccc1 440629783 OFBXGADKKVPNAP-UHFFFAOYSA-N 324.424 4.692 30 20 DJED CC[C@@H](Nc1ccccc1OCC(F)F)c1ccc(C#N)cc1 447586823 OYKXFZUHSZXAKF-OAHLLOKOSA-N 316.351 4.765 30 20 DJED N#CCCCN[C@@H](Cc1ccccc1Cl)c1ccsc1 453192206 JEKKXXPFGYYNGW-INIZCTEOSA-N 304.846 4.579 30 20 DJED CN(CCCC#N)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 482972607 BOUYORCXIITBFQ-SFHVURJKSA-N 316.807 4.804 30 20 DJED C=CC[C@H](C(=O)Nc1cnc2ccccc2c1)c1ccccc1 487759875 LBAYSIBWSSFTBX-SFHVURJKSA-N 302.377 4.533 30 20 DJED CC(C)[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(C(C)(C)C)cc1 509405501 TXFIKBUMNCHKBJ-HXUWFJFHSA-N 323.484 4.681 30 20 DJED N#Cc1cnc(N2CCC[C@H]2c2cccc(Cl)c2)c(Cl)c1 513645798 PYNDTTNSJUQLFA-HNNXBMFYSA-N 318.207 4.602 30 20 DJED CCCC(C#N)(CCC)NC(=O)c1ccc(CSCC)cc1 532151479 GMHOAXLBYCFCBV-UHFFFAOYSA-N 318.486 4.532 30 20 DJED N#CCc1ccc(CSCc2nc3ccccc3s2)cc1 542224977 RTJIQFSSUKGOJW-UHFFFAOYSA-N 310.447 4.796 30 20 DJED Cc1cc(C)cc(Oc2ccc(NC(=O)NCCCC#N)cc2)c1 542349961 OCASXLYJSMYRBQ-UHFFFAOYSA-N 323.396 4.521 30 20 DJED C[C@H](N[C@H]1CCc2sc(Cl)cc21)c1cccc(C#N)c1 569630219 WFNPYEJSOJSHPS-HZMBPMFUSA-N 302.830 4.611 30 20 DJED N#CC1(c2nc(Cc3cccc4ccccc34)no2)CCCCC1 572568831 FGTZBBKYDZHXGI-UHFFFAOYSA-N 317.392 4.539 30 20 DJED COc1ccc([C@H](CCC#N)NCc2ccc([C@H]3C[C@@H]3C)o2)cc1 576221656 BLCIQHPMBLLXEM-JVPBZIDWSA-N 324.424 4.546 30 20 DJED N#CCC1(CN[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 585765152 SWFKRXNDGSDOJV-JKSUJKDBSA-N 322.374 4.625 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1C[C@H](c2ccc(F)cc2)C1 590257218 NEMXBYYGMPHJNK-CUWPLCDZSA-N 320.411 4.611 30 20 DJED C=CC[C@@H](C)NC(=O)c1sc2cccc(Cl)c2c1Cl 604880948 FCZGOFNQFKTCKE-MRVPVSSYSA-N 314.237 4.903 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc(OC(C)C)cc1C 606942567 RMQMZTRCMNYJJT-UHFFFAOYSA-N 318.461 4.992 30 20 DJED CCN(C(=O)c1cc2occc2s1)[C@@H](C)c1ccc(C#N)cc1 609854959 XVCSQANERGQRLF-LBPRGKRZSA-N 324.405 4.589 30 20 DJED CCCc1ccc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 611475968 DHCLJEQDRZSTKA-MRXNPFEDSA-N 304.437 4.851 30 20 DJED C[C@@H](N[C@H]1CCCc2c(Cl)cccc21)c1cccc(C#N)c1 612572482 LZKAWQFRBWWLDJ-YJYMSZOUSA-N 310.828 4.940 30 20 DJED C=C[C@@H](CC(=O)N1CCc2cc(F)ccc2[C@H]1C)c1ccccc1 677553814 HXRZYIRZFVNKQA-CVEARBPZSA-N 323.411 4.631 30 20 DJED C=CCOc1cccc(CNc2ccc(OCC3CC3)cc2)c1 733327192 BMGNDHCTTZQJHW-UHFFFAOYSA-N 309.409 4.652 30 20 DJED N#C[C@@H](C(=O)CCCC1CCCC1)c1ccc2ccccc2n1 744014934 BWYPXKAKGVNSHF-QGZVFWFLSA-N 306.409 4.772 30 20 DJED CCN(Cc1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cc1 746140657 OXUATYIWOFVTNL-UHFFFAOYSA-N 318.342 4.599 30 20 DJED C=CCC[C@@H](NC(=O)/C(C)=C/C)c1ccc(C(F)(F)F)cc1 749947065 PPTMSHYIWWKZQJ-FDYAIDJWSA-N 311.347 4.795 30 20 DJED COCc1ccc(/C=C2\C(=O)c3cccc4c3[C@@H]2CCC4)cc1 763288699 IQBRNKUMXRLBJS-UEXNTNOUSA-N 304.389 4.533 30 20 DJED O=C1/C(=C\c2nccc3ccccc23)[C@@H]2CCCc3cccc1c32 763289459 MNAWKXWBTGECKC-NFBGKYEXSA-N 311.384 4.935 30 20 DJED CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 796747483 PMXVUGIBLLSRJS-HZSPNIEDSA-N 304.459 4.659 30 20 DJED C=CCC(C)(C)C(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 814114864 UUXIWZVGAXXMCC-UHFFFAOYSA-N 310.397 4.723 30 20 DJED COCc1ccccc1/C=C(C)/C=C\C(=O)c1cc(C)c(C)o1 814191353 OZTNENFSFQKCKX-TVFNDYRWSA-N 310.393 4.885 30 20 DJED CCCCCC[C@H](C)NN=Cc1conc1Cc1ccccc1 814859594 XEDHFPIVTBPFKF-INIZCTEOSA-N 313.445 4.548 30 20 DJED CCCOc1ccc(CNc2ccccc2O[C@@H](C)C#N)c(C)c1 850240830 MFZDSBSCGZAJND-INIZCTEOSA-N 324.424 4.687 30 20 DJED CC(=NNc1ncnc2sc(C)c(C)c12)c1cc(C)ccc1C 916307800 QPDXPHYZQBKGRC-UHFFFAOYSA-N 324.453 4.761 30 20 DJED Cc1cccc(-c2cccc(CNc3cccc(CC#N)n3)c2)c1 1116661517 DTZGGJZYFSCFQQ-UHFFFAOYSA-N 313.404 4.735 30 20 DJED CC[C@H]1Cc2ccccc2CN1Cc1ccccc1C(C)(C)C#N 1169013483 FYEYCDWHXBUOIT-FQEVSTJZSA-N 318.464 4.825 30 20 DJED CC(C)c1ccc(C[C@H](C)Nc2snc(Cl)c2C#N)cc1 1185819240 JWEJLWXZUJXCIG-NSHDSACASA-N 319.861 4.835 30 20 DJED Cc1cc(CN2CCC[C@@](C)(c3ccccc3)CC2)ccc1C#N 1308761624 ZSDNYPFOYYDKHS-JOCHJYFZSA-N 318.464 4.811 30 20 DJED C=C[C@@H]1CCCCN1C(=O)c1nc(-c2ccccc2)oc1C(C)C 1339406040 CIKGKCLEJJZWBW-MRXNPFEDSA-N 324.424 4.646 30 20 DJED CC[C@H](NC(=O)CC1(C#N)CCCCC1)c1cccc(Cl)c1 1352785710 JJABFXQARRLBAJ-INIZCTEOSA-N 318.848 4.771 30 20 DJED C[C@@H](Nc1ncc(C#N)cc1F)c1ccc(Cl)cc1Cl 1458347754 IZXWGZHBCOSENM-MRVPVSSYSA-N 310.159 4.572 30 20 DJED C=C(Br)CN(C1CC1)[C@H](C)c1ccc(Cl)cc1 1459679084 XDDLFBDSWYIBDT-LLVKDONJSA-N 314.654 4.774 30 20 DJED C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C2CCC2)c1 1460519171 GFHQBAPUMWYCSK-HNNXBMFYSA-N 318.420 4.643 30 20 DJED Cc1nsc(Oc2ccc(OCC3CC3)c(Cl)c2)c1C#N 1472790886 LYQZMHXKNOYQGG-UHFFFAOYSA-N 320.801 4.558 30 20 DJED CCCN(CCSC1CCCCC1)Cc1ccc(C#N)cc1 1473106866 YLFLCWFTLCOXMK-UHFFFAOYSA-N 316.514 4.836 30 20 DJED CCC[C@@H](CC(C)C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 1536557536 MIMOIZICXLCIPC-HKUYNNGSSA-N 312.457 4.514 30 20 DJED CCC[C@@H](CC1CCCCC1)C(=O)N1CCc2c(C#N)cccc21 1536856070 GJDFFDDLHIAIQO-KRWDZBQOSA-N 324.468 4.834 30 20 DJED Cc1cc(CN2CCC[C@H]2CCCc2ccccc2)ccc1C#N 1560630290 SLTZUYSBCNLRJQ-JOCHJYFZSA-N 318.464 4.854 30 20 DJED N#CCOc1cccc(NCC2CCC(c3ccccc3)CC2)c1 1560744066 DWTWCDVJAXVETF-UHFFFAOYSA-N 320.436 4.975 30 20 DJED C[C@H](Cc1coc2ccccc12)N[C@@H]1CCc2cc(C#N)ccc21 1560806516 WMMDYJAVABDGDJ-JLTOFOAXSA-N 316.404 4.513 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)Nc1cc(C#N)ccc1F 1596936981 VSYBJOWIAZSSEE-ZFWWWQNUSA-N 322.383 4.625 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCc2cc(Cl)ccc21 1620650078 LTJZYOKLCUGICX-UHFFFAOYSA-N 310.828 4.704 30 20 DJED C[C@H](Cc1ccccc1C(F)(F)F)N[C@H](C)CC(C)(C)C#N 1621197308 DZDOCUXRJUWJJT-CHWSQXEVSA-N 312.379 4.554 30 20 DJED N#Cc1cnc(N[C@H](Cc2ccccc2)c2cccs2)c(F)c1 1642255351 KODGDLWEHUDNGF-MRXNPFEDSA-N 323.396 4.550 30 20 DJED Cc1c(Cl)cnc(N2CC3(CCCCC3)[C@@H]2C(C)C)c1C#N 1642775153 CXXFLDWZFLPVNP-INIZCTEOSA-N 317.864 4.710 30 20 DJED CC[C@@H](C)C[C@@H](C)Nc1cc(C)c(C#N)c2nc3ccccc3n12 1651561703 BIXOCONXPQIDLT-UKRRQHHQSA-N 320.440 4.904 30 20 DJED Cc1ccc([C@@H]2CCC[C@@H]2N(C)CCc2ccc(C#N)cc2)cc1 1652576052 YSIIHDHQCLCTMZ-VXKWHMMOSA-N 318.464 4.677 30 20 DJED Cc1ccc(C(C)(C)CN(C)[C@@H](C)c2ccc(C#N)cc2)cc1 1653461552 OKGZAVFTCQNFAV-KRWDZBQOSA-N 306.453 4.837 30 20 DJED CCC1CCC(N(C)Cc2cc(Cl)ccc2OCC#N)CC1 1653516062 KVHWFQFYIMDRGI-UHFFFAOYSA-N 320.864 4.643 30 20 DJED CCc1nc(Sc2ccc(C#N)c(C)c2)c2ccsc2n1 1655596317 YVAFMOANTCZUKC-UHFFFAOYSA-N 311.435 4.585 30 20 DJED COc1ccccc1[C@H](C)SCc1cn2ccccc2c1C#N 1656312424 HDGIEWGRPWPSOQ-AWEZNQCLSA-N 322.433 4.814 30 20 DJED CC(C)(C#N)CCN(Cc1ccccc1F)c1ccccc1F 1657723039 RYWRLBCPZSBMKU-UHFFFAOYSA-N 314.379 4.911 30 20 DJED O=C(O)c1cccc(NN=C2CCC[C@@H](C3CCCCC3)C2)c1 1776038378 HPTUMYQLVNDFKT-OAHLLOKOSA-N 314.429 4.923 30 20 DJED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccoc3C)n2)cc1 41513066 GMOCRAVIEQKAPI-OAHLLOKOSA-N 322.389 4.510 30 20 DJED C#Cc1cccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 59300445 AWYXCYHACPCQKK-MRXNPFEDSA-N 321.420 4.506 30 20 DJED N#Cc1cc(Br)ccc1NCc1cccc(Cl)c1 96731024 DSARGLRQWLPMOE-UHFFFAOYSA-N 321.605 4.586 30 20 DJED O=C(/C=C\c1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 96766264 HYDKJIAAYYTVJR-YFHOEESVSA-N 321.254 4.510 30 20 DJED C[C@H](N[C@@H](C)c1cccc(OC(F)F)c1)c1ccc(C#N)cc1 121443837 UOCZJQZYHIEOJL-STQMWFEESA-N 316.351 4.571 30 20 DJED CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1O 287863309 XMZZPNAUVOYACU-SJCJKPOMSA-N 314.816 4.719 30 20 DJED N#CC1(CCN[C@@H](c2ccccc2)c2ccccn2)CCCCC1 411317436 ATYOVRYJGFZMCH-FQEVSTJZSA-N 319.452 4.625 30 20 DJED N#C[C@@H]1CC[C@@H](N[C@@H](c2ccc(Cl)cc2)c2ccsc2)C1 442778787 BZOMIXAUMSPOGA-JLZZUVOBSA-N 316.857 4.773 30 20 DJED C=CCC[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 442820163 ARPJBILHSFSAIH-JQFCIGGWSA-N 322.374 4.995 30 20 DJED Cc1cc(O)c(C(C)C)cc1NC(=O)Nc1cccc(CC#N)c1 455913676 ZOIRLTNEHOMXCD-UHFFFAOYSA-N 323.396 4.534 30 20 DJED C=CCC1(C(=O)Nc2ccccc2Br)CCCC1 459827378 YWGKAJPHMWTPPS-UHFFFAOYSA-N 308.219 4.524 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1c(C)cccc1F 461927534 MHAPWGXFADOIBL-UHFFFAOYSA-N 304.409 4.734 30 20 DJED C=C(C)C[C@@H](C)C(=O)N1CCC(F)(c2cccc(Cl)c2)CC1 466870376 MGDMTWUCXALPKA-CQSZACIVSA-N 323.839 4.730 30 20 DJED N#CCSCCCN(Cc1cccs1)c1ccc(F)cc1 467186739 OGPOJHKKUAURJB-UHFFFAOYSA-N 320.458 4.541 30 20 DJED Cc1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)ccc1C1CC1 476776804 YYKMFRPGJDBCAB-UHFFFAOYSA-N 318.420 4.926 30 20 DJED Cc1ccccc1[C@@H](NCc1ccc(C#N)c(F)c1)C(C)(C)C 484059340 PPOZYACNMMCNOR-LJQANCHMSA-N 310.416 4.883 30 20 DJED CCC[C@@H](C)CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 505539187 FRIHWPBGUPUSAP-ZWNOBZJWSA-N 313.228 4.501 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N(C)Cc1c(F)cccc1Cl 507209422 HVSMHLGIASAQRE-LBPRGKRZSA-N 302.780 4.544 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(C#N)c1C 511286762 PDMNTWULAPASQA-UHFFFAOYSA-N 318.420 4.971 30 20 DJED Cc1c(C#N)cccc1C(=O)Nc1ccc(-c2ccco2)cc1F 511401762 ZNPHKPGJFWOKKO-UHFFFAOYSA-N 320.323 4.518 30 20 DJED C[C@H](N[C@@H]1CCC[C@H]1c1ccccc1)c1ccc(C#N)cc1F 512655314 SXGWEOVZNWHXTB-ADLFWFRXSA-N 308.400 4.684 30 20 DJED N#Cc1cnc(N2CCC[C@H]2c2ccc(Cl)cc2)c(Cl)c1 513635865 SEZVYQSCBHUZCP-HNNXBMFYSA-N 318.207 4.602 30 20 DJED C=C(C)COc1cccc(NC(=O)N(C(CC)CC)C2CC2)c1 530706913 AXWLVVNJLTYKEP-UHFFFAOYSA-N 316.445 4.826 30 20 DJED C=C[C@H](CC(=O)N[C@H](c1ccccc1)C1CC1)c1ccccc1 533886028 LEEMBIYRWDEJGY-IIBYNOLFSA-N 305.421 4.614 30 20 DJED C[C@@H](NC[C@]1(C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1F 559882618 PDAJDNQWTPMCSH-WNYOCNMUSA-N 308.400 4.542 30 20 DJED N#Cc1ccc2c(c1)[C@H](N[C@H]1C[C@H](c3ccccc3Cl)C1)CC2 581325162 KELVKLHHSAZKDH-JXXFODFXSA-N 322.839 4.735 30 20 DJED C=CC1CCN(C(=O)Nc2cc(Cl)ccc2OCCC)CC1 601123668 BBQXCQLLZGBVJH-UHFFFAOYSA-N 322.836 4.559 30 20 DJED CC(=NN[C@@H](C)c1ccccc1)c1ccc(-c2ccncc2)cc1 745196129 JNIPLKOEPYPVDD-INIZCTEOSA-N 315.420 4.823 30 20 DJED COc1cc(C(C)=NNc2ccc(Cl)cc2)ccc1SC 747602410 LWJLICSLNVLJLV-UHFFFAOYSA-N 320.845 4.907 30 20 DJED Oc1ccc2ccccc2c1C=Nc1ccc2c(c1)CCCO2 750948963 BEUGYEAWHOJWAL-UHFFFAOYSA-N 303.361 4.621 30 20 DJED CC(C)c1nc(C(=O)/C=C/c2ccc(N3CCCCC3)cc2)co1 752887032 JSWBRZHRSHBRDN-DHZHZOJOSA-N 324.424 4.684 30 20 DJED COc1cc(C)c([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1C 753631960 HQASQQGUBVLXET-JKSUJKDBSA-N 308.425 4.596 30 20 DJED CC1(C)CCC[C@@H](C(=O)[C@@H](C#N)c2ccc3ccccc3n2)C1 756518140 DOMRXEKWMFEVQC-CVEARBPZSA-N 306.409 4.627 30 20 DJED Cc1c(C#N)cccc1NC(=S)Nc1ccc2ccccc2c1 769794615 FRALACTXPYJORO-UHFFFAOYSA-N 317.417 4.829 30 20 DJED CC(C)Oc1cccc(/C=C\C(=O)c2cccc(F)c2F)c1 776268061 LBAAIEJWSKPWHF-KTKRTIGZSA-N 302.320 4.648 30 20 DJED C[C@H]1CC(=NNc2ncncc2Cl)C[C@@H](c2ccccc2)C1 780280960 BEXKCIRTFDWOCX-OCCSQVGLSA-N 314.820 4.502 30 20 DJED C=C[C@H](CC(=O)O[C@H](C)c1ccc(Cl)cn1)c1ccccc1 781713752 LNMIGWFBSGURCJ-ZIAGYGMSSA-N 315.800 4.699 30 20 DJED CN(Cc1csc2ccccc12)c1nc(Cl)c(C#N)s1 787896930 DFAQRFXKQVXBDY-UHFFFAOYSA-N 319.842 4.519 30 20 DJED C#CCC1(C(=O)N(CC)Cc2ccc(Cl)s2)CCCCC1 788430090 GJULBCRNUIVMAI-UHFFFAOYSA-N 323.889 4.724 30 20 DJED COc1ccc(NN=C[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1 789033884 JWSPFKWAYOLGKA-GFCCVEGCSA-N 322.330 4.915 30 20 DJED CC(C)=CCC[C@H](C)CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 842676928 QOHIHTIVTWYKPY-LSDHHAIUSA-N 309.413 4.512 30 20 DJED Cc1ccc(-c2cncc(C(=O)O[C@@H](C)CC(C)(C)C#N)c2)cc1 851208799 DYJILUAFCMBKBE-HNNXBMFYSA-N 322.408 4.542 30 20 DJED CCCCCCCCCC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 916650487 SKXHNUWPDQCWCD-HNNXBMFYSA-N 311.429 4.880 30 20 DJED CCCOc1cc(/C=C/C(=O)c2ccc(C)s2)ccc1OC 917043409 ILWLYAOMEXUQMU-SOFGYWHQSA-N 316.422 4.750 30 20 DJED Cc1ccc2c(c1)C/C(=C\c1ccccc1C(F)(F)F)C2=O 921263909 KUILOWCPLZMQCB-NTEUORMPSA-N 302.295 4.836 30 20 DJED CC(C)CCN(CCC#N)C(=O)CCc1cccc2ccccc12 1136680477 JPQHJNOYSMCZPF-UHFFFAOYSA-N 322.452 4.561 30 20 DJED N#Cc1ccc(C2=CCN(CC/C=C/c3ccccc3)CC2)cc1 1168875643 YZDYPIDGTAEDGQ-XBXARRHUSA-N 314.432 4.751 30 20 DJED N#Cc1cc(Sc2nc(C3CCCCC3)cs2)ccn1 1307193678 GTMKJGIAWBQOBA-UHFFFAOYSA-N 301.440 4.609 30 20 DJED N#Cc1ccccc1NC(=O)c1ccc2c(c1)oc1ccccc12 1327081567 NWZGEHNCJKPZQY-UHFFFAOYSA-N 312.328 4.710 30 20 DJED Cc1ccc(C(=O)Nc2cccc(OCCC(C)C)c2)cc1C#N 1357722337 CQKZHGQQOJSWHA-UHFFFAOYSA-N 322.408 4.544 30 20 DJED N#Cc1nc(N[C@H](C2CCCCC2)C2CCC2)ccc1Cl 1458455369 QBBFDSLTPQHDQQ-QGZVFWFLSA-N 303.837 4.768 30 20 DJED CCCc1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)cc1 1459883692 QHZOMGULDYVIDP-UHFFFAOYSA-N 316.448 4.800 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)c1ccc(F)c(Cl)c1 1460855055 YSUGDFGKEJYTIW-UHFFFAOYSA-N 324.742 4.756 30 20 DJED Cc1ccccc1C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 1473366277 QVUIABQLDCOPRF-QGZVFWFLSA-N 304.437 4.807 30 20 DJED Cc1nc(S[C@@H](C#N)CCc2ccccc2)c2ccccc2n1 1559315517 YKTKIDDKVLDZJZ-MRXNPFEDSA-N 319.433 4.555 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N[C@@H](CCC(C)C)C(C)(C)C 1562450680 ZCHJHPUSSFQYQP-KRWDZBQOSA-N 315.461 4.839 30 20 DJED Cc1csc(NC(=O)N2CCC(C)(C)CC(C)(C)C2)c1C#N 1562766675 MRWMVGOWDMKXCY-UHFFFAOYSA-N 319.474 4.608 30 20 DJED CC[C@H](C)C[C@@H](C)Nc1c(C#N)cnc2c(Cl)cccc12 1612027497 FVQPELDEDQLVQC-NWDGAFQWSA-N 301.821 4.996 30 20 DJED CC(C)(C)c1ccc(C#N)c(OCc2cc(F)ccc2Cl)n1 1641220043 ILEBAYCTNJNLCF-UHFFFAOYSA-N 318.779 4.622 30 20 DJED C=C(Br)CSc1nc2cc(C)ccc2s1 1644240435 LXLBHAPVINWLLB-UHFFFAOYSA-N 300.246 4.605 30 20 DJED C[C@@H](c1ccc(Oc2ccccc2)cc1)N1CCC[C@@H](C#N)C1 1648265135 BVGVBDBIKOWDSS-IRXDYDNUSA-N 306.409 4.775 30 20 DJED Cc1cnc(C)c(Oc2ccc(Oc3ccc(C#N)cc3)cc2)n1 1651587129 BFDDNJZBRXEDHT-UHFFFAOYSA-N 317.348 4.550 30 20 DJED C[C@@H](CCC#N)CN(CCc1ccccc1)Cc1ccccc1 1651875380 VGTFBFNVRCERFW-IBGZPJMESA-N 306.453 4.671 30 20 DJED C[C@@H](CN[C@H]1CCCc2cc(C#N)ccc21)c1cccc(Cl)c1 1652684486 LDADUNLAXLCRPU-XOBRGWDASA-N 324.855 4.982 30 20 DJED CCc1ccc(CN(Cc2cccc(C#N)c2)CC(C)C)cc1 1653987754 YDUCZFDJMRDCLX-UHFFFAOYSA-N 306.453 4.779 30 20 DJED C[C@H](COc1ccc(Br)c(C#N)c1)C1CCCCC1 1656930877 XJDXOHPUSOMASS-GFCCVEGCSA-N 322.246 4.916 30 20 DJED N#Cc1cccc(CNC(C2CCCC2)C2CCCC2)c1F 1660274447 IQFGQBRESJZJJJ-UHFFFAOYSA-N 300.421 4.536 30 20 DJED Cc1c(NN=C2CCCCC[C@H]2C(C)C)cccc1C(=O)O 1776088433 LRWJOCLRJACLPH-AWEZNQCLSA-N 302.418 4.697 30 20 DJED CC(C)c1cccc(C(=O)/C=C\c2cccc(C(=O)O)c2F)c1 1776375353 IWQNLGMDJXPPGM-KTKRTIGZSA-N 312.340 4.543 30 20 DJED Cc1ccc(C(=O)/C=C\c2cc(C(=O)O)c(C)cc2C)cc1C 1777433831 VCDRHWNUUYXVDW-FPLPWBNLSA-N 308.377 4.515 30 20 DJED Cc1nc(-c2ccccc2)sc1[C@H](C)Nc1ccc(C#N)cn1 53584343 MRUINAWPZZJRIO-LBPRGKRZSA-N 320.421 4.558 30 20 DJED COc1cc(C)c(C(=O)/C=C\c2ccc(Cl)cc2)cc1OC 108963726 IWOQAYQIFZMZFK-TWGQIWQCSA-N 316.784 4.562 30 20 DJED CCCC(C)(C)NC(=O)Nc1ccccc1SC[C@H](C)C#N 116500265 JBTPPMHQVAGVHX-CYBMUJFWSA-N 319.474 4.639 30 20 DJED N#CCC[C@H](NCc1ccc(F)cc1Cl)c1ccccc1 130592679 NXKLWVFLRTXBMA-KRWDZBQOSA-N 302.780 4.614 30 20 DJED COc1cccc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)c1 164447305 UMOWCZDMSYFBQO-MDWZMJQESA-N 321.420 4.582 30 20 DJED C[C@@H](C#N)Oc1ccccc1NCc1cccc(C(F)(F)F)c1 181122194 RXRMZQVXQUGRNZ-LBPRGKRZSA-N 320.314 4.608 30 20 DJED N#Cc1c(Cl)nsc1N[C@@H](c1ccccc1)C1CCC1 301958644 OPVNFBXSPIMKCD-ZDUSSCGKSA-N 303.818 4.621 30 20 DJED C[C@H](Nc1cc(Cl)ccc1-n1cccn1)c1cccc(C#N)c1 321325737 SBGCTLCOKMMMOQ-ZDUSSCGKSA-N 322.799 4.570 30 20 DJED CCCc1csc(CN[C@H](CCCC#N)c2ccccc2)n1 353914074 KQUXICVCOISYCS-QGZVFWFLSA-N 313.470 4.620 30 20 DJED C[C@H](N[C@H](CCC#N)c1ccccc1)[C@@H]1C[C@H]1c1cccs1 417313168 VAYZWEXFUSYHPW-DZJNRPSUSA-N 310.466 4.875 30 20 DJED CCc1c(N[C@@H](C)c2ccc(C#N)cc2)cnn1CCC(C)C 426036280 NFFWWIQPZSJWQM-HNNXBMFYSA-N 310.445 4.536 30 20 DJED CC(C)(C#N)c1ccccc1COc1ccc2c(c1)CCCC2=O 486901824 JQGUVXMYNYGNOM-UHFFFAOYSA-N 319.404 4.586 30 20 DJED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N(CC#N)c1ccccc1 489918507 OADPGHPPIUKEEP-IAGOWNOFSA-N 318.420 4.533 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)NCCCC2CCCC2)cc1 503286721 FAUSWGZOTXNTFO-UHFFFAOYSA-N 313.445 4.580 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)C(C2CCC2)C2CCC2)cc1 505615011 ZXAZRURPEUFCNU-UHFFFAOYSA-N 310.441 4.643 30 20 DJED C[C@@H](F)CCN[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 509007031 OIWMTDBGBORSLW-LDYMZIIASA-N 317.248 4.647 30 20 DJED N#CCN(Cc1cc(C(F)(F)F)ccc1Cl)C1CCCC1 536668403 BMMZYQLEPUBXRT-UHFFFAOYSA-N 316.754 4.627 30 20 DJED C=CCC[C@H](CCC)NCCc1nc2ccccc2n1C(F)F 537979486 JBTBURNCNTYKJL-AWEZNQCLSA-N 321.415 4.698 30 20 DJED Cc1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)c(Cl)c1C 543041876 RZCFWXXTLYXJPC-UHFFFAOYSA-N 319.191 4.734 30 20 DJED Cc1ccc(C#N)c(Nc2ccc(CCC(F)(F)F)cc2)n1 553112820 HOMLDLMMNZXBAO-UHFFFAOYSA-N 305.303 4.500 30 20 DJED N#Cc1ccccc1CNC1(c2ccc(Cl)c(Cl)c2)CC1 559326032 AUHBWLNYOJMKFH-UHFFFAOYSA-N 317.219 4.644 30 20 DJED CCC[C@H](NC(=O)[C@H](C#N)CC)c1ccc(Cl)c(Cl)c1 593439569 IQXACZGAVRAHBG-HZMBPMFUSA-N 313.228 4.501 30 20 DJED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cc2ccncc2s1 595030310 QCIRYQNCMHAXQP-CYBMUJFWSA-N 319.433 4.508 30 20 DJED CC1(NCc2cccc(OCc3cccc(C#N)c3)c2)CCCC1 609075777 CKPOZAKONDMTKT-UHFFFAOYSA-N 320.436 4.560 30 20 DJED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1csc(Cl)c1 618804428 LFTZQBIKSKDPHQ-BONVTDFDSA-N 302.830 4.611 30 20 DJED Cc1cc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc(C)c1F 618807360 UDLGEWNUDYXHTP-IFXJQAMLSA-N 308.400 4.652 30 20 DJED CC(C)(C#N)c1ccc(C(=O)N2CCCCc3sccc32)cc1 619557498 FPFUTAHUGYBWKW-UHFFFAOYSA-N 324.449 4.532 30 20 DJED Cc1ccc(N(CCC#N)C(=O)C[C@@H](C)c2ccc(F)cc2)cc1 726940572 YGIQOPDOTBGNSO-MRXNPFEDSA-N 324.399 4.575 30 20 DJED C=CCOc1ccc(/C=C\C(=O)c2ccsc2)cc1Cl 727267219 QATGOPYCPQINOQ-HYXAFXHYSA-N 304.798 4.862 30 20 DJED CC(=NNc1c(F)cccc1F)c1cccc(-c2ccncc2)c1 741459880 GGABNODMKLORKY-UHFFFAOYSA-N 323.346 4.863 30 20 DJED C=CCCO[C@H](C)C(=O)O[C@H](C)c1ccc(Cl)cc1Cl 743461489 CJAPWWPQNZZPMY-GHMZBOCLSA-N 317.212 4.579 30 20 DJED C#Cc1cccc(NC(=O)N(CCC)[C@@H]2CCc3ccccc32)c1 746658177 CECIJDQFXBAYIJ-HXUWFJFHSA-N 318.420 4.599 30 20 DJED C=CCCCC(=O)Nc1ccccc1SCC(F)(F)F 748519597 ODKKNDSRTSJMMT-UHFFFAOYSA-N 303.349 4.636 30 20 DJED O=C(/C=C/c1cccc2ccccc12)c1cc([N+](=O)[O-])ccc1F 752873408 FDJRDUOITOAHRF-DHZHZOJOSA-N 321.307 4.783 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(C#N)s2)c2ccccc12 762447458 QERQSCOXPDRMFW-TWGQIWQCSA-N 319.385 4.678 30 20 DJED CC(C)(C)Oc1ccc(C(=O)/C=C/c2nc(Cl)cs2)cc1 764921238 PFNVZGXFXKVBIA-CMDGGOBGSA-N 321.829 4.870 30 20 DJED Cc1ccccc1[C@H](CC(F)(F)F)/N=C/c1cccc(O)c1O 766283948 OUJCLPDHBMNDNX-MNUWJXFPSA-N 323.314 4.519 30 20 DJED C#CCCCCCC(=O)Nc1ccccc1Nc1ccccc1 780993742 OYIJMNAYRDSQQX-UHFFFAOYSA-N 306.409 4.952 30 20 DJED O=C(/C=C\c1cnc(-c2ccco2)s1)c1c[nH]c2ccccc12 789126510 FZKRDNUAEFHMDE-FPLPWBNLSA-N 320.373 4.781 30 20 DJED C=CCC(C)(C)C(=O)OCc1coc(-c2cccc(Cl)c2)n1 796462319 JLXFXWZYJJOYHP-UHFFFAOYSA-N 319.788 4.641 30 20 DJED CC[C@H](N[C@@H]1CCSc2ccccc21)c1cccc(C#N)c1 902747236 RRGWTBNVXAKVLF-ZWKOTPCHSA-N 308.450 4.836 30 20 DJED CCCCCCCCC(=O)Nc1cccc(Cn2cccn2)c1 914736404 KXOAGZMSBBTZSV-UHFFFAOYSA-N 313.445 4.621 30 20 DJED CC(=NNc1ccc(F)cc1)c1cc(C)ccc1OC(F)F 916268107 JYROGYLGRNLAMO-UHFFFAOYSA-N 308.303 4.572 30 20 DJED C=CCN(CC=C)C(=O)N[C@H](c1ccccc1)C1CCCCC1 916638568 IIDNQEWAQLHNPT-LJQANCHMSA-N 312.457 4.692 30 20 DJED Cc1ccc2[nH]c(C(=O)OCCCC(C)(C)C#N)c(Cl)c2c1 1116913576 CZXFEEHUZMXHNK-UHFFFAOYSA-N 318.804 4.617 30 20 DJED Cc1nc(N2CCC[C@H](C3CCCCC3)C2)c(Cl)cc1C#N 1163795147 AOCRLFRNKGDBBE-HNNXBMFYSA-N 317.864 4.712 30 20 DJED CCC1(CC)CN(CCOc2cccc(C#N)c2)c2ccccc21 1168324281 IWEHQGLZWUFZLG-UHFFFAOYSA-N 320.436 4.515 30 20 DJED Cc1ccc(Oc2c(Br)cccc2C#N)cc1C 1184589260 FPHSXWZHSUEXOB-UHFFFAOYSA-N 302.171 4.730 30 20 DJED N#Cc1ccc(SCc2cccc(OC(F)(F)F)c2)cc1 1188650713 VUMWBHQHCQYKIM-UHFFFAOYSA-N 309.312 4.749 30 20 DJED COc1ccc(C#N)cc1NCc1ccc(OCCC(C)C)cc1 1202714948 CAZUMPDHRYCPIF-UHFFFAOYSA-N 324.424 4.604 30 20 DJED Cc1sc(NC(=O)c2ccc(C(F)F)cc2F)c(C#N)c1C 1264023313 NMKJWUAOGKEIQP-UHFFFAOYSA-N 324.327 4.566 30 20 DJED CC(C)(C)c1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)cc1Cl 1275463308 ITUXAYBSZOMZTH-JSGCOSHPSA-N 319.832 4.877 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@H]1/C=C/c1ccccc1 1308122687 PVIYBGILWMOFIM-ACUNGTFPSA-N 302.421 4.545 30 20 DJED CC[C@@H](CN[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 1308442409 WZQHDKYIFHTFOT-UWJYYQICSA-N 304.437 4.719 30 20 DJED N#Cc1c(F)cccc1CN(Cc1ccc(Cl)cc1)C1CC1 1308664157 YKKHKCSRLGGOAO-UHFFFAOYSA-N 314.791 4.515 30 20 DJED CC(C)CCC[C@@H](C)NC(=O)Nc1ccc(C#N)cc1Cl 1310423932 QNOGUYDFZMWMIH-GFCCVEGCSA-N 307.825 4.548 30 20 DJED CN(C(=O)Nc1sccc1C#N)C1CCC(C(C)(C)C)CC1 1310956007 ARJAWWZPNWUMGG-UHFFFAOYSA-N 319.474 4.688 30 20 DJED CC[C@@H](C)c1nnc(-c2ccccc2-c2ccccc2C#N)o1 1328346804 HSZSRBPNHLHGBU-CYBMUJFWSA-N 303.365 4.789 30 20 DJED N#Cc1ccccc1-c1ccccc1-c1nnc(C2CCCC2)o1 1345889863 PZLVJMFARODFDE-UHFFFAOYSA-N 315.376 4.933 30 20 DJED CC[C@@H](C)c1ccc(C(=O)N2CCCc3cc(C#N)ccc32)cc1 1436404793 YXWBRXAFIQAREH-OAHLLOKOSA-N 318.420 4.665 30 20 DJED Cc1nc(S[C@H](C#N)C2CCCCC2)[nH]c1-c1ccccc1 1473020451 ZOVXPJLKMFYELL-MRXNPFEDSA-N 311.454 4.950 30 20 DJED CC(C)c1ccc(/C=C\CC(=O)Nc2cccc(C#N)c2)cc1 1523612347 NCXKHDOQDZIRSX-PLNGDYQASA-N 304.393 4.724 30 20 DJED CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(F)c(C#N)c2)cc1 1528010490 IZSRXAOYXFARGX-AWEZNQCLSA-N 324.399 4.638 30 20 DJED C[C@H](OC(=O)c1ccc(C(F)F)cc1F)c1ccc(C#N)cc1 1531747160 FSIUBKHZTLWKEG-JTQLQIEISA-N 319.282 4.553 30 20 DJED CC(C)C[C@H]1CCCCCN1C(=O)Nc1ccc(C#N)c(F)c1 1562909505 RIXOHLVAYDLKRV-MRXNPFEDSA-N 317.408 4.520 30 20 DJED CCC[C@H]1CCCC[C@@H]1CNC(=O)Nc1cc(C)cc(C#N)c1 1562939519 LUOZHGWHZJEKGM-DLBZAZTESA-N 313.445 4.595 30 20 DJED Cc1c(Cl)cnc(NCc2cc(C3CC3)ccc2F)c1C#N 1612422790 FSDYFHCXHLUEIC-UHFFFAOYSA-N 315.779 4.544 30 20 DJED COc1ccc(CNc2cccc3c2[C@@H](C)CC3(C)C)cc1C#N 1621079357 VSEFGCXGOJGZSU-AWEZNQCLSA-N 320.436 4.964 30 20 DJED CCC(C)(C)c1ccc(CNc2ncc(C#N)cc2Cl)cc1 1639679019 XDSRUJBNDVJEGX-UHFFFAOYSA-N 313.832 4.906 30 20 DJED CCC(CC)(CC)S[C@@H](C)C(=O)Nc1cccc(C#N)c1 1643847666 WMGBRERAQIIGID-ZDUSSCGKSA-N 304.459 4.587 30 20 DJED N#Cc1cnc(N[C@@H]2C[C@H]2c2cccc3ccccc23)c(Cl)c1 1651015660 YLUMFIDTJWRJQD-FUHWJXTLSA-N 319.795 4.728 30 20 DJED Cc1cc(Br)ccc1CSc1ccccc1C#N 1652664657 LBCSHKLZIVJOCQ-UHFFFAOYSA-N 318.239 4.922 30 20 DJED CC(C)[C@H]1CCCCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 1657862585 UCDCYFNRDAZIJH-MRXNPFEDSA-N 319.836 4.644 30 20 DJED N#Cc1c(F)cccc1CN1CCC[C@H]1CCC1CCCC1 1663612331 IACQLJWXYPDSBN-KRWDZBQOSA-N 300.421 4.632 30 20 DJED CCC(CC)CN(CC)C(=O)Nc1ccc(C#N)c(Cl)c1 1666711247 IBZUGBLGYFWKSO-UHFFFAOYSA-N 307.825 4.502 30 20 DJED CCCCC1CCC(C(=O)N(CCC#N)Cc2ccco2)CC1 57614618 UKWVJZOVSZNDAX-UHFFFAOYSA-N 316.445 4.518 30 20 DJED N#Cc1cccc(CNCc2ccc(-c3cccc(F)c3)s2)c1 66971887 WROLCZGGTLOJHS-UHFFFAOYSA-N 322.408 4.716 30 20 DJED N#Cc1csc(CN[C@@H]2CCSc3ccc(Cl)cc32)c1 93492217 WENKHKSVIHZIKN-CQSZACIVSA-N 320.870 4.600 30 20 DJED C=CCCO[C@@H](C)C(=O)Nc1cccc(CSC(C)C)c1C 173368852 AXTVQALVIWJXAK-HNNXBMFYSA-N 321.486 4.556 30 20 DJED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 182137399 MHYJQRURNUBGPL-CQSZACIVSA-N 322.408 4.527 30 20 DJED C[C@@H](C#N)Oc1ccccc1NCCCCCOc1ccccc1 188343400 VQVZFHROEXYDGX-KRWDZBQOSA-N 324.424 4.639 30 20 DJED O=C(/C=C\c1cncs1)c1ccc(Cl)c(C(F)(F)F)c1 255900672 LKRROXCUKDRDIK-RQOWECAXSA-N 317.719 4.711 30 20 DJED C=C(C)CCc1noc(-c2c(-c3ccccc3C)noc2C)n1 289306852 WXUZRCFKPRVJBJ-UHFFFAOYSA-N 309.369 4.517 30 20 DJED C[C@H](NCc1cc(Cl)sc1Cl)c1ccc(C#N)cc1 312630584 TTZKNHAOSVQBMO-VIFPVBQESA-N 311.237 4.777 30 20 DJED Cc1nc2c(/C(O)=N/C[C@H]3CCCCC(F)(F)C3)cccc2o1 329138469 DVKYJXKTKDAFMM-LBPRGKRZSA-N 322.355 4.656 30 20 DJED C[C@H](/N=C(/O)[C@@H]1CCCCS1)c1ncc(-c2ccccc2)o1 329667959 RUPKDZOLZIPPQE-WFASDCNBSA-N 316.426 4.645 30 20 DJED CCC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 404600156 HQTWMVVVWMUJRZ-GOSISDBHSA-N 316.807 4.982 30 20 DJED COc1ccc(C2CCN([C@H](C)c3cccc(C#N)c3)CC2)cc1 442681867 ILTYMAKMGUTLBV-MRXNPFEDSA-N 320.436 4.507 30 20 DJED CC(C)Oc1ccc(CNc2cccc(CC#N)c2)cc1Cl 453146839 NEALFKASMURPQU-UHFFFAOYSA-N 314.816 4.805 30 20 DJED C=CC(C)(C)CNC(=O)Nc1ccccc1COC(C)(C)CC 455165001 VSUQTHMFVMSPNQ-UHFFFAOYSA-N 318.461 4.726 30 20 DJED C[C@@H](Nc1c(Cl)cccc1C#N)c1cccc(OC(F)F)c1 462775229 LOPLJWYBEAIEAT-SNVBAGLBSA-N 322.742 4.986 30 20 DJED C[C@H](N[C@H]1c2ccccc2CCC[C@@H]1C)c1ccc(C#N)cc1 462843339 TVYGEZSKVWURIH-CKJXQJPGSA-N 304.437 4.923 30 20 DJED C[C@H](N[C@@H]1c2ccccc2CCC[C@@H]1C)c1ccc(C#N)cc1 462843340 TVYGEZSKVWURIH-QYWGDWMGSA-N 304.437 4.923 30 20 DJED C=C[C@@](C)(CC)C(=O)N(C)Cc1c(Cl)cccc1Cl 467740266 LXVIJXUYSCGGKZ-HNNXBMFYSA-N 300.229 4.554 30 20 DJED N#Cc1ccc(N2CCC[C@@H]2c2ccsc2)cc1C(F)(F)F 486925749 MYOBEWRZQICPDN-OAHLLOKOSA-N 322.355 4.980 30 20 DJED C=CCC[C@@H](NC(=O)c1c(F)ccc(C)c1F)c1ccccc1 499435992 AHQFDYVXHZCDSA-MRXNPFEDSA-N 315.363 4.711 30 20 DJED N#Cc1cccc(NC(=O)C2(c3cccc(F)c3)CCCCC2)c1 512399304 IPHVEPSRYZBBEE-UHFFFAOYSA-N 322.383 4.538 30 20 DJED C=C(C)CN(C/C=C\c1ccccc1)Cc1cnn(C(C)C)c1 512532780 VECSIXRHCADCAS-FLIBITNWSA-N 309.457 4.556 30 20 DJED N#Cc1c(F)cccc1SCc1cc(-c2cccs2)on1 519067493 QOOZCUNXIRWBGF-UHFFFAOYSA-N 316.382 4.706 30 20 DJED C/C=C\c1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1 584312009 DRBXTDZLFROXBR-PLNGDYQASA-N 322.383 4.647 30 20 DJED N#Cc1ccccc1C(=O)/C=C\c1cnc(-c2cccs2)s1 588618398 QKBDPNYWVKMNEJ-FPLPWBNLSA-N 322.414 4.639 30 20 DJED CC(C)Oc1ccc(CC#N)cc1-c1cncc(C(F)(F)F)c1 596636413 ANKFOFXCRBTQEO-UHFFFAOYSA-N 320.314 4.621 30 20 DJED CC(C)Oc1cccc(COc2ccc(C#N)cc2Cl)c1 603743460 WLXDPAGSLKFDAF-UHFFFAOYSA-N 301.773 4.578 30 20 DJED C[C@H]1C[C@H](CC(=O)N(C)c2ccc(C#N)cc2F)CC(C)(C)C1 609217195 ZAWKTLLGMCIDBT-DZGCQCFKSA-N 316.420 4.513 30 20 DJED N#Cc1ccc(SCc2ccc(OC(F)F)cc2)c(F)c1 610164715 SZHHVDDXKGOMJX-UHFFFAOYSA-N 309.312 4.591 30 20 DJED N#C[C@@H]1CCC[C@@H](NCCc2ccc(-c3ccccc3)cc2)C1 613255433 BJXLQPGFAJIDFF-WIYYLYMNSA-N 304.437 4.568 30 20 DJED Cc1cccc2c1[C@H](C)C[C@@H]2N[C@@H]1CCc2cc(C#N)ccc21 618807409 UIYQGNXONQZOBW-XMCHAPAWSA-N 302.421 4.692 30 20 DJED C[C@H](NCc1ccc(C#N)c(Cl)c1)c1cc2ccccc2o1 619755853 WJNXFCXVNAPDGH-LBPRGKRZSA-N 310.784 4.809 30 20 DJED N#CCOc1cccc(/C=C\c2nc3cc(Cl)ccc3o2)c1 727744875 VWRUYGQQVVGXFN-DAXSKMNVSA-N 310.740 4.554 30 20 DJED CCC[C@@H](/N=C/c1c(O)ccc2ccccc12)c1ccccn1 729150402 VBTKFRCVSHWPBM-SDLXJUDFSA-N 304.393 4.901 30 20 DJED CC(C)n1cc(C=NN(c2ccccc2)c2ccccc2)cn1 732711016 WVZDNQWOBZJICH-UHFFFAOYSA-N 304.397 4.636 30 20 DJED Cc1cc(C)cc(-c2ccc(/C=C/C(=O)c3cnccn3)cc2)c1 741466667 AGWSXENLJWFNFV-VMPITWQZSA-N 314.388 4.657 30 20 DJED CN(C)c1ccc(C(=O)/C=C\c2cc3cc(F)ccc3o2)cc1 741848062 LBYCLPYYFLYMNR-HJWRWDBZSA-N 309.340 4.534 30 20 DJED COc1ccccc1[C@@H](C)SCc1ccc(OCC#N)cc1 742455707 SWKJEVQVOLZPTC-CQSZACIVSA-N 313.422 4.592 30 20 DJED O=C(/C=C\c1cc(F)ccc1Br)c1ccsc1 761201601 WKWDYHWMFSELQW-RJRFIUFISA-N 311.175 4.546 30 20 DJED C=CCN(C(=O)Nc1ccc(SC(C)(C)C)cc1)C1CC1 772280687 GJDVHMIGJOLGOX-UHFFFAOYSA-N 304.459 4.760 30 20 DJED CC(C)c1ccc([C@H](C)NN=Cc2ccc(C#N)cc2F)cc1 772840820 NTTHQICAIRTQBT-AWEZNQCLSA-N 309.388 4.505 30 20 DJED Clc1ccccc1[C@H]1CCCC1=NNc1ncncc1Cl 780282910 KXUAZXKUPXMCIL-LLVKDONJSA-N 321.211 4.519 30 20 DJED C=C[C@@](C)(CC)C(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1 785596669 BRYNRHUFNJNBJG-SFHVURJKSA-N 319.401 4.541 30 20 DJED C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1F 795981559 NMFTUTLQDPBXPA-HOCLYGCPSA-N 311.356 4.517 30 20 DJED COc1cc(C)ccc1C(=O)/C=C\c1ccccc1OC(F)F 797279540 WEWYFWWQSWXOQW-NTMALXAHSA-N 318.319 4.501 30 20 DJED C=C(CNC(=S)Nc1c(CC)cccc1CC)c1ccccc1 806592773 DFUDAQAKWMIKRE-UHFFFAOYSA-N 324.493 4.811 30 20 DJED C=CC[C@@H](NC(=O)c1cc2cccc(C)c2s1)c1ccncc1 808418791 ATKUIOWCXRFMGL-MRXNPFEDSA-N 322.433 4.652 30 20 DJED O=C(/C=C\c1ccc2cnccc2c1)c1c(F)cccc1Cl 809158506 BDABXZPAGAHLFW-ALCCZGGFSA-N 311.743 4.923 30 20 DJED COc1cc(/C=C/C(=O)c2c(F)cccc2Cl)ccc1C 809159105 IGVWQWPVSTUQKC-CMDGGOBGSA-N 304.748 4.692 30 20 DJED Cc1ccc(-c2n[nH]cc2/C=C\C(=O)c2ccc(C)s2)cc1 810232465 GOXHWSXMLMWTRP-HJWRWDBZSA-N 308.406 4.651 30 20 DJED C=CC[C@@H](N[C@@H](C)c1ccc(OC)cc1Cl)c1ccncc1 818333165 UMEGQFYFUPZODE-SCLBCKFNSA-N 316.832 4.712 30 20 DJED C=CC[C@H](N[C@@H]1CCc2cc(F)c(Cl)cc21)c1ccncc1 858366092 XGMIWTJCGXGAIC-ZWKOTPCHSA-N 316.807 4.768 30 20 DJED N#Cc1cccc(C(=O)Nc2ccccc2NC2CCCCC2)c1 916565992 OXJRLQOVMGHUFU-UHFFFAOYSA-N 319.408 4.555 30 20 DJED N#Cc1cccc(C(=O)/C=C\c2cccc(OC3CCCC3)c2)c1 917518278 YKYGBJNBFXUOMH-QXMHVHEDSA-N 317.388 4.776 30 20 DJED CCc1ccc(-c2ccc(C(=O)O[C@@H]3CCC[C@@H](C#N)C3)o2)cc1 1129725428 VMEOESJYTULUGB-NVXWUHKLSA-N 323.392 4.748 30 20 DJED CCCN(CCC1(C#N)CCCCC1)[C@@H]1C[C@H](OCC)C1(C)C 1167443349 SMJVPYWLMVEMPU-MSOLQXFVSA-N 320.521 4.766 30 20 DJED C[C@H](NCCC1(C#N)CCCCC1)c1ccccc1OC(F)F 1168677885 QASBVZPGAFBGJU-AWEZNQCLSA-N 322.399 4.803 30 20 DJED N#Cc1cccc(CN2CC3(CCCC3)[C@@H]2c2ccccc2)c1F 1170903645 DDCOYCIPCGMJPC-FQEVSTJZSA-N 320.411 4.815 30 20 DJED Cc1cc(NC(=O)CC2(C#N)CCCCC2)cc(C(F)(F)F)c1 1181362489 IPXCRNKRAFXFFV-UHFFFAOYSA-N 324.346 4.817 30 20 DJED CCCc1c(N[C@@H]2CCC[C@H](C#N)C2)cnn1-c1ccc(C)cc1 1205405390 HXLYDWAEQGFWSU-DLBZAZTESA-N 322.456 4.628 30 20 DJED N#Cc1ccc(Oc2ccc(NC(=O)CCC3CCC3)cc2)cc1 1264828155 BQCLCFXSROGUBS-UHFFFAOYSA-N 320.392 4.869 30 20 DJED C=CCOc1ccccc1CN[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21 1321025051 WQTFGFFHVOOGQT-NVXWUHKLSA-N 323.436 4.604 30 20 DJED C[C@H](C#N)CN(C)Cc1ccc(-c2cc(Cl)ccc2Cl)o1 1323291427 TVFFKEYFDZGJBV-LLVKDONJSA-N 323.223 4.845 30 20 DJED C[C@@H](OC(=O)c1cccc(Cl)c1Cl)c1ccc(C#N)cc1 1435362941 JPAJTXRESBMGNH-SNVBAGLBSA-N 320.175 4.783 30 20 DJED CC[C@H](C)[C@H](C(=O)OCc1ccc(CC#N)cc1)c1ccccc1 1435686825 NJAOIGHKPJNSHG-JXFKEZNVSA-N 321.420 4.626 30 20 DJED CCCC[C@H](C)N(C)c1cc(C)c(C#N)c2nc3ccccc3n12 1458414644 LROLLBXMBGXNSW-HNNXBMFYSA-N 320.440 4.683 30 20 DJED N#Cc1cccc(N(C(=O)C2C[C@H]3CCC[C@H](C2)C3)C2CCC2)c1 1461558762 GFMPFPHILJXOJT-HOTGVXAUSA-N 322.452 4.660 30 20 DJED N#Cc1cccc(Br)c1NCC1CCCCCC1 1472783817 KHVHKJPUCGNASV-UHFFFAOYSA-N 307.235 4.703 30 20 DJED N#Cc1ccc(C2CCN([C@H]3CCc4c(F)cccc43)CC2)cc1 1473839236 VUWARKXZJSOONY-NRFANRHFSA-N 320.411 4.564 30 20 DJED CCCCN(C(=O)c1ccc(C#N)cc1F)[C@H]1CCC[C@H](C)C1 1527350536 CWWUXPQDHJUCOP-HOCLYGCPSA-N 316.420 4.518 30 20 DJED CC[C@@H](OC(=O)c1cccc(C#N)c1)c1cccc(Cl)c1F 1585399186 LGYCISWYCWUNOZ-OAHLLOKOSA-N 317.747 4.659 30 20 DJED Cc1cc(NC(=O)c2ccccc2SCC#N)ccc1Cl 1640377346 QOGWCORXSNFEKF-UHFFFAOYSA-N 316.813 4.516 30 20 DJED CCN(Cc1ccc(C#N)cc1Cl)c1ccc(Cl)cc1 1644629063 VFPAVNSLPILHKC-UHFFFAOYSA-N 305.208 4.892 30 20 DJED CC[C@H](CN(CC)CCc1ccc(C#N)cc1)c1ccccc1 1645350862 BKYHCXLIAZJDOU-HXUWFJFHSA-N 306.453 4.616 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1N[C@@H]1CC12CCCCC2 1651695422 JXRBZLAKSHIZRY-OAHLLOKOSA-N 311.816 4.895 30 20 DJED Cc1ccc(NC(=O)[C@H](C)Sc2ccc(C#N)c(C)c2)cc1C 1652058805 VFSFYECOAQLENM-HNNXBMFYSA-N 324.449 4.603 30 20 DJED CC[C@H]1CCc2ccccc2N1Cc1ccc(Cl)cc1C#N 1653728570 ZLTOJLBCOUNKSF-SFHVURJKSA-N 310.828 4.943 30 20 DJED CCC1CCC(N(Cc2cccc(F)c2C#N)C2CC2)CC1 1657502594 IOLXYPYFFCOVSW-UHFFFAOYSA-N 300.421 4.631 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1ccc(Cl)cc1C 43173153 AOCHWPUSXNGAPH-UHFFFAOYSA-N 320.845 4.930 30 20 DJED N#CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1ccccc1 153704210 BBNTZGKPSRDZAD-MRXNPFEDSA-N 320.417 4.676 30 20 DJED N#Cc1csc(CNc2ccc(COc3ccccc3)cc2)c1 181434999 OHSMIGOYNCEFJA-UHFFFAOYSA-N 320.417 4.811 30 20 DJED C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 188606287 MCIYCOMCHAUPEA-YWZLYKJASA-N 308.425 4.528 30 20 DJED Cc1nc(Oc2ccc(OCc3ccccc3)cc2)ccc1C#N 204051033 XGEJRQTZVVNAKJ-UHFFFAOYSA-N 316.360 4.633 30 20 DJED CCn1nc(C)c(/C=C\C(=O)c2ccc(C(C)(C)C)cc2)c1C 206845069 IBOZTQZKHNFCNM-SEYXRHQNSA-N 310.441 4.713 30 20 DJED CC(C)[C@H](C)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N 264616252 NSMOJOMONZGSJJ-KGLIPLIRSA-N 319.474 4.589 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1ccccc1Cl 277137059 BWBCECZPLOYRNO-HNNXBMFYSA-N 311.853 4.633 30 20 DJED CC(C)c1ccccc1NC(=O)[C@H](C)SCCC(C)(C)C#N 289345799 FXYIUYINBLLGAC-AWEZNQCLSA-N 318.486 4.810 30 20 DJED CC(=O)c1ccc(Cl)c(Cl)c1OCc1cccc(C#N)c1 303153243 GHQWOFIZYTZAAG-UHFFFAOYSA-N 320.175 4.647 30 20 DJED N#CCOc1ccc(N[C@@H](c2cccs2)C2CCCC2)cc1 315897564 QLEVCYHCPKBWEH-GOSISDBHSA-N 312.438 4.994 30 20 DJED N=C(O)[C@@H]1CCC[C@H](/C(O)=N/[C@@H]2CCCCC23CCCC3)C1 329603599 GKKVTBYDRVZIHH-QLFBSQMISA-N 306.450 4.788 30 20 DJED CC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1OC 341756090 CBUKINIWPUWYGB-UXHICEINSA-N 320.436 4.685 30 20 DJED Cc1ccnc(N[C@@H](C)c2nc(-c3ccccc3)cs2)c1C#N 343505379 DSDYEGQMGGCRAJ-ZDUSSCGKSA-N 320.421 4.558 30 20 DJED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1OCc1ccccc1 424319660 FHGFFUFBCBZHPE-NZSAHSFTSA-N 320.436 4.608 30 20 DJED C=C(C)CN(CC)C(=O)Nc1cc(Cl)c(C)cc1Cl 443938270 BFZMMCGQKWWJBK-UHFFFAOYSA-N 301.217 4.732 30 20 DJED Cc1ccc([C@H](N[C@@H]2CCC[C@H](C#N)C2)c2ccccc2)cc1 463297325 KPPGTWVVZGTAAL-IOMROCGXSA-N 304.437 4.756 30 20 DJED C=CC[C@H](CC)N[C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 467417283 KGLIHRNBYLNGTD-RDJZCZTQSA-N 317.477 4.566 30 20 DJED N#CCCCSCC/C=C/c1ccc(Br)cc1 479508883 AORSZVGDFGXJCS-ORCRQEGFSA-N 310.260 4.889 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1cc(Cl)c(F)cc1Cl 482810713 GQYHRSBAOIDFCX-UHFFFAOYSA-N 323.154 4.565 30 20 DJED C=CCCC1(C(=O)Nc2ccc(Br)cc2CC)CC1 483862860 LVJWOCPHRKADDZ-UHFFFAOYSA-N 322.246 4.696 30 20 DJED C=CCCc1ccccc1NC(=O)N1CC[C@H](C)C[C@@H](C)C1 505000224 AYEXGVTUAVZRJE-JKSUJKDBSA-N 300.446 4.705 30 20 DJED CCC[C@@H](C)C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 515626392 DCAUOSQMHHCHMY-GFCCVEGCSA-N 324.449 4.760 30 20 DJED N#Cc1cccc(N[C@@H](c2ccccc2)c2cccc(Cl)c2)n1 522904525 ZUNSRVNBEPUJDB-IBGZPJMESA-N 319.795 4.808 30 20 DJED CSCc1cccc(NC(=O)C[C@@H](CC#N)c2ccccc2)c1 527245549 LWOZUDYVBMDQPR-QGZVFWFLSA-N 324.449 4.576 30 20 DJED C=CCCCN1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 533392838 QJJQUXMEZVOQDJ-QGZVFWFLSA-N 311.473 4.763 30 20 DJED C=CCN(C(=O)c1ccc(SCc2ccccc2)cc1)C1CC1 540135231 XXGFBUWNFCOCRR-UHFFFAOYSA-N 323.461 4.770 30 20 DJED C[C@@H](N[C@H](CC(F)(F)F)c1ccccc1)c1cccc(C#N)c1 540596518 OYIQRGYSDXUYNS-CXAGYDPISA-N 318.342 4.903 30 20 DJED C[C@H](NCCSc1ccc(Cl)cc1)c1ccc(C#N)cc1 540597535 UKAGRSRDSGQWFN-ZDUSSCGKSA-N 316.857 4.655 30 20 DJED C=CCC(C)(C)c1noc([C@H]2C[C@@H]2c2cccc(Cl)c2)n1 551140908 VYYDXHICVBKPRR-KGLIPLIRSA-N 302.805 4.848 30 20 DJED CC(C)c1ccc2c(c1)[C@H](NC(=O)CCCCCC#N)CCC2 588162972 ZKTNQTQOYFFSIF-LJQANCHMSA-N 312.457 4.778 30 20 DJED N#CC[C@@H]1CCCN(C(=O)C2(C3CCCCC3)CCCCC2)C1 597905335 YDGAYOPBZJSHBL-KRWDZBQOSA-N 316.489 4.669 30 20 DJED Cc1c(C(=O)/C=C\c2ccccc2)cnn1-c1cccc(Cl)c1 731565418 ONZAFUBFUYLFOY-KHPPLWFESA-N 322.795 4.730 30 20 DJED CC(C)C(=NNc1ncnc2sccc12)C1CCCCC1 733907842 WBWMGNUXZKUTSO-UHFFFAOYSA-N 302.447 4.696 30 20 DJED CC[C@@H](C)C(C)=NNc1c(F)cc(F)cc1Br 741772174 QGDFRBJDYSFFQP-SSDOTTSWSA-N 305.166 4.561 30 20 DJED C[C@@H]1/C(=C\c2cccs2)C(=O)c2cccc(Br)c21 742434273 DPTFVTZWOZRIJZ-YXYQAXARSA-N 319.223 4.894 30 20 DJED CC(=NNc1cc(C)ccn1)[C@@H](C)c1nc2ccccc2s1 755903246 OLJNIUWVOPSBAM-GFCCVEGCSA-N 310.426 4.591 30 20 DJED C#CCCCCN[C@H](C)c1ccc(SCC(F)(F)F)cc1 773039406 GFOSCCNYFBQCHB-CYBMUJFWSA-N 315.404 4.795 30 20 DJED N#CC1(COC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CCCCC1 786483806 HEEUFVYUPYZFDZ-VXGBXAGGSA-N 323.845 4.522 30 20 DJED CC(C)(CCC#N)CNc1ccc(OCC(F)(F)F)c(F)c1 800289964 VRRDNUSIHFOTLI-UHFFFAOYSA-N 318.314 4.509 30 20 DJED Cc1ccccc1[C@@H](Nc1nc(Cl)c(C#N)s1)C(C)C 804449656 KVAOJLQUVFCCML-ZDUSSCGKSA-N 305.834 4.786 30 20 DJED C#Cc1ccc(CN[C@H](c2ccccc2)c2cccc(F)c2)cc1 809628951 XJELWBPYEQKNBO-JOCHJYFZSA-N 315.391 4.686 30 20 DJED C#C[C@@H](N[C@H](C)CCCC(F)(F)F)c1ccc(Cl)cc1 811516515 NZMHRTZROMIRSD-BXUZGUMPSA-N 303.755 4.725 30 20 DJED CCc1cnc(C=NN(c2ccccc2)c2ccccc2)s1 814685699 MURITJLQYDENIF-UHFFFAOYSA-N 307.422 4.878 30 20 DJED CCCCCCC[C@H](C)N[C@@H]1CCO[C@H](c2ccncc2)C1 824954074 OHSQNTIBAVIYDF-UHOSZYNNSA-N 304.478 4.640 30 20 DJED COc1cc(NN=C(C)CCCc2cccnc2)ccc1Cl 834975657 BIYCIHGMHFQGKT-UHFFFAOYSA-N 317.820 4.554 30 20 DJED CCCCCCCCCC(=O)N1CCC[C@H]1[C@@H]1CCCOC1 843922204 AWLLMLBJKAWQKT-MSOLQXFVSA-N 309.494 4.545 30 20 DJED CCCC[C@@H](C(=O)[C@@H](C#N)c1nc(C2CC2)cs1)C(C)C 857034302 ZADJAWOGGVZFKM-ZIAGYGMSSA-N 304.459 4.659 30 20 DJED N#C[C@H](CCc1ccccc1)c1nc(-c2ccccc2Cl)no1 904568219 DDBFKGMCGZMHFZ-AWEZNQCLSA-N 323.783 4.630 30 20 DJED FC(F)(F)c1ccccc1C=NNc1nccc2sccc12 915980529 YXLOQHAIADCKAT-UHFFFAOYSA-N 321.327 4.761 30 20 DJED N#C[C@@H](C(=O)CC1CCCC1)c1nc2cc(Cl)ccc2s1 917046169 GPYCHMJSKIVFMK-LBPRGKRZSA-N 318.829 4.706 30 20 DJED CCN(C(=O)[C@@H]1CCCCC1(C)C)c1ccc(C#N)c(Cl)c1 1127278581 VIQKLQPKTNKEIW-HNNXBMFYSA-N 318.848 4.781 30 20 DJED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(Oc3ccccc3)cc2)C1 1129725630 ZEJSRGVJGCVRJM-DNVCBOLYSA-N 321.376 4.718 30 20 DJED Cc1ccnc(N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)c1C#N 1162717918 PZLKKZGBPXETMJ-KBPBESRZSA-N 313.832 4.544 30 20 DJED Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2cccc(C#N)c2F)o1 1167517529 QOMKRKDTDFLFIW-SUMWQHHRSA-N 312.388 4.572 30 20 DJED COc1cc(C#N)ccc1CSc1cccc(C(F)(F)F)c1 1188074928 NZKAWKCXGFJICN-UHFFFAOYSA-N 323.339 4.878 30 20 DJED C[C@@H](CCc1ccccc1)N[C@@H]1CCCc2cc(C#N)ccc21 1206329222 UFZDBCCBMYZOPF-HRAATJIYSA-N 304.437 4.547 30 20 DJED C[C@H]1C[C@@H]1c1ccc(CN(Cc2cccc(F)c2C#N)C2CC2)o1 1308651918 YYDNHARJWBZKDN-GUYCJALGSA-N 324.399 4.578 30 20 DJED CC(C)C[C@H]1CCCCCN1C(=O)c1ccc(Cl)c(C#N)c1 1360814966 OOIFFLVOHWHTBL-MRXNPFEDSA-N 318.848 4.643 30 20 DJED Cc1cccc(C2=CCN(CCc3ccc(C#N)cc3)CC2)c1C 1460925921 NJJJHWLHODQCMI-UHFFFAOYSA-N 316.448 4.507 30 20 DJED CC[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(C#N)cc1F 1461935010 CVLWURHNTJWSQX-TZIWHRDSSA-N 322.427 4.856 30 20 DJED CC[C@H](C)c1ccc([C@H](Nc2cncc(C#N)n2)C(C)C)cc1 1472644768 PLBBBLGDFLICAP-IFXJQAMLSA-N 308.429 4.671 30 20 DJED CCCCN(Cc1ccc(F)c(C#N)c1)Cc1ccccc1F 1473141640 VUKULOFKJSFDSY-UHFFFAOYSA-N 314.379 4.639 30 20 DJED CC(C)(CC(=O)Nc1ccc(C#N)c(F)c1)C1CCCCC1 1524489874 PLMXLLXUWYZVRP-UHFFFAOYSA-N 302.393 4.632 30 20 DJED CCN(C(=O)[C@@H]1C[C@H]1CC(C)(C)C)c1ccc(C#N)c(Cl)c1 1534029785 KOXUHDZPQXXKNF-DZGCQCFKSA-N 318.848 4.637 30 20 DJED CC[C@H](c1ccccc1)N(CC)c1nc(C)c(C#N)cc1Cl 1559086815 PDDZSOAVSYVMPR-QGZVFWFLSA-N 313.832 4.893 30 20 DJED C=C(Br)CN1CCCCC[C@H]1/C=C\c1ccccc1 1616321344 AYPSBCSWFBPCCK-CPFIRTDXSA-N 320.274 4.853 30 20 DJED CC[C@@H]1CN(Cc2ccc(C#N)c(C)c2)CC[C@H]1c1ccccc1 1621133547 ZTLIDHWIZDOKJL-DENIHFKCSA-N 318.464 4.882 30 20 DJED Cc1cc(C)cc(C[C@H](C)Nc2nc(C)c(C#N)cc2Cl)c1 1651572612 PDKVHBVMCGQHBJ-ZDUSSCGKSA-N 313.832 4.575 30 20 DJED CC[C@@H](CC#N)N[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 1654666088 VVFPROGLWOOANM-ROUUACIJSA-N 316.807 4.850 30 20 DJED CC(C)[C@@H](NCc1cccc(C#N)n1)c1ccc(C(C)(C)C)cc1 1659572691 YFQBEZXRZCNKGF-HXUWFJFHSA-N 321.468 4.738 30 20 DJED C[C@H](CCC1CCCCC1)NC(=O)Nc1cc(C#N)ccc1F 1662505258 VETNQWMGBJWMAU-CYBMUJFWSA-N 317.408 4.568 30 20 DJED C=CCCC(=O)N(CC)[C@H](c1ccc(CC)cc1)c1cccnc1 112641398 GSDICMXSSJEQCL-OAQYLSRUSA-N 322.452 4.548 30 20 DJED C#CCCOc1ccc(CNc2cccc(COC(C)C)c2)cc1 236599983 CIXKPQDKDBYSQR-UHFFFAOYSA-N 323.436 4.626 30 20 DJED C[C@H](c1cc2ccccc2o1)N(C)c1snc(Cl)c1C#N 301513439 JDGPEUJRMPHZCJ-SECBINFHSA-N 317.801 4.612 30 20 DJED CC1(C)CCC[C@@H](C(O)=Nc2cccc([C@H]3CN=C(O)C3)c2)C1 328875922 SGEQYJWRSHIFCS-HUUCEWRRSA-N 314.429 4.935 30 20 DJED Cc1ccc(/C(O)=N/[C@H](C#N)C2CCCCC2)c(F)c1Cl 331321930 CMDYTGBCWFCAQG-CYBMUJFWSA-N 308.784 4.565 30 20 DJED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 374555164 ZNFNKKULSLTWNV-QGZVFWFLSA-N 324.424 4.650 30 20 DJED CC[C@H](N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(C#N)cc1 375721237 VDAUONPGKHRPGE-PCCBWWKXSA-N 320.436 4.519 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1cccc(C(F)F)c1 425530429 FMZGWTBIVPBXGI-CYBMUJFWSA-N 300.352 4.689 30 20 DJED N#C[C@H]1CC[C@H](NCC2(c3c(Cl)cccc3Cl)CCC2)C1 442866204 VXRQLTROMMGDSF-STQMWFEESA-N 323.267 4.697 30 20 DJED C[C@H](C(=O)N(CC(C)(C)C)c1ccccc1)c1cccc(C#N)c1 464459917 JNOSODNJFCAOPL-INIZCTEOSA-N 320.436 4.741 30 20 DJED C=CCCC(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 468340186 FTRVPTAIBKIXHL-GOSISDBHSA-N 317.791 4.651 30 20 DJED C=CCCC1(C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 476536985 CHYFQUFHLVBUHW-SFHVURJKSA-N 313.416 4.624 30 20 DJED C=CCC[C@@H](C(=O)Nc1ccc(N(C)C)cc1C)c1ccccc1 488629032 ZJDNGTYHKHCQCQ-LJQANCHMSA-N 322.452 4.750 30 20 DJED C=C[C@@H]1CCCCN1C(=O)c1ccc(-c2ccccc2Cl)o1 488845798 ZJEAIZWINNZPOD-CYBMUJFWSA-N 315.800 4.781 30 20 DJED C=CCN(CCc1ccco1)Cc1csc(-c2ccccc2)n1 491302305 ADHMNVLQANPSDZ-UHFFFAOYSA-N 324.449 4.634 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N(C)Cc1ccccc1C(F)(F)F 507255105 YNZZTNGYJBBPNG-ZDUSSCGKSA-N 318.342 4.770 30 20 DJED C=C(C)CN(Cc1ccc(CO)o1)Cc1cccc2ccccc12 512212137 MTVDTVKRJRACRS-UHFFFAOYSA-N 321.420 4.503 30 20 DJED CCOc1cccc2cc([C@H](C)NCC(C)(C)CCC#N)oc12 563734489 VDIJULCOWNIKNV-AWEZNQCLSA-N 314.429 4.812 30 20 DJED C=CCC(F)(F)c1nc(CCCc2ccccc2Cl)no1 580664018 ZKQSNDQYXURNQD-UHFFFAOYSA-N 312.747 4.566 30 20 DJED C[C@@H](CCC#N)CN[C@H](c1ccc(F)cc1)c1cccs1 602501273 DYCGYPKTAOBIDD-SUMWQHHRSA-N 302.418 4.506 30 20 DJED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)c1 609427345 FEJGGTHYLZJFIN-MRXNPFEDSA-N 318.376 4.645 30 20 DJED CC(C)CC[C@@H](NC(=O)Nc1ccc(CC#N)cc1)C(C)(C)C 609683406 TWTZYNOSRAGKHU-QGZVFWFLSA-N 315.461 4.725 30 20 DJED Cc1[nH]c2ccccc2c1C(=O)/C=C/c1cc(F)c(F)c(F)c1 727973986 FEYDDISVWUQYJM-VOTSOKGWSA-N 315.294 4.790 30 20 DJED C=C(C)CNC(=S)Nc1ccc(OCC2CCCCC2)cc1 748157683 DJAHXMKGWPQUGK-UHFFFAOYSA-N 318.486 4.508 30 20 DJED Fc1cc(C=NOc2ccccc2C(F)(F)F)ccc1Cl 754722947 HLOOXBNTKYVSCH-UHFFFAOYSA-N 317.669 4.911 30 20 DJED C=CCC(CC=C)C(=O)OCc1csc(C2CCCC2)n1 759004568 IAKIXFOYBINBEB-UHFFFAOYSA-N 305.443 4.612 30 20 DJED C=CC[C@H](N[C@H](C)c1ccc(OCCC)cc1)c1ccncc1 766020422 PEKOXPXQQYYPOW-UZLBHIALSA-N 310.441 4.838 30 20 DJED Cc1cncc(C(=O)/C=C/c2cccc(OC3CCCC3)c2)c1 767365605 DTXSUQFYAXFJRF-MDZDMXLPSA-N 307.393 4.608 30 20 DJED Cc1cc(N=Cc2ccccc2O)ccc1Oc1ccncc1 775740624 MOYJGHQZYTZNRM-UHFFFAOYSA-N 304.349 4.639 30 20 DJED FC(F)(F)c1ccccc1ON=CCc1cccc(Cl)c1 794924532 WUUAUBTXVHCMGS-UHFFFAOYSA-N 313.706 4.966 30 20 DJED Clc1ccc([C@H]2CCCCCC2=NOC2CCOCC2)cc1 794931407 VGESLZFLSSXVFO-QGZVFWFLSA-N 321.848 4.939 30 20 DJED C#Cc1ccc(CN[C@H](C)c2nc(-c3ccccc3)cs2)cc1 809615475 FBSAXXAOGYHPFG-OAHLLOKOSA-N 318.445 4.642 30 20 DJED CC(C)N(Cc1ccc(O[C@H](C)C#N)cc1)[C@@H](C)c1ccccc1 814169336 GVTBVMQGDWZGNK-MSOLQXFVSA-N 322.452 4.949 30 20 DJED C=CCC(C)(C)c1nc(-c2ccsc2C(F)(F)F)no1 904921758 PTVNSSAEANDEIH-UHFFFAOYSA-N 302.321 4.671 30 20 DJED CC(C)CCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915351415 BAZVJPKQMZUHEE-LJQANCHMSA-N 321.424 4.510 30 20 DJED CCCC(CCC)C(=O)N(CC)c1ccc(C#N)c(Cl)c1 1127193386 YBISFQZMKDNDOD-UHFFFAOYSA-N 306.837 4.781 30 20 DJED N#Cc1cccc(N[C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)n1 1163489029 QXBVBAZIFQXVJD-ZBFHGGJFSA-N 311.816 4.745 30 20 DJED C[C@@H](CNc1c(C#N)cnc2c(Cl)cccc12)C(C)(C)C 1187634143 ZIDWSKOWRQLLPN-NSHDSACASA-N 301.821 4.854 30 20 DJED Cc1cc(CN2C[C@H](C)C[C@@H]2c2cccc(F)c2)ccc1C#N 1204307143 KLXOJQMGTFRKFM-JLTOFOAXSA-N 308.400 4.589 30 20 DJED N#CCc1cccc(NC(=O)c2cc3c(s2)CCCCCC3)c1 1272960934 NBNMIOYGFXDRCF-UHFFFAOYSA-N 324.449 4.725 30 20 DJED C=CC[C@H](N[C@@H]1C[C@H](C)c2c(C)ccc(O)c21)c1ccncc1 1320118487 LZOWCLJFBFKHTH-BHYGNILZSA-N 308.425 4.551 30 20 DJED CCN(C(=O)CCCC(C)(C)C)c1ccc(C#N)c(Cl)c1 1356456876 AHKNHGPGJFUARM-UHFFFAOYSA-N 306.837 4.781 30 20 DJED N#Cc1cc(NC(=O)c2ccc(C3=CCCC3)cc2)ccc1F 1435015845 MKRKYIJFCKEWEX-UHFFFAOYSA-N 306.340 4.517 30 20 DJED CCC[C@H](CC(C)C)C(=O)N(c1cccc(C#N)c1)C1CCC1 1461559116 JFSOBEMASAVJNX-QGZVFWFLSA-N 312.457 4.906 30 20 DJED CCOc1ccc(CNc2cc(C#N)ccc2OC(C)C)c(C)c1 1461564921 QBKCDIVWIDFTAF-UHFFFAOYSA-N 324.424 4.665 30 20 DJED Cc1ccc(Nc2c(C#N)cnc3c(Cl)cccc23)cc1F 1472640022 OJNBCXUERFBRCH-UHFFFAOYSA-N 311.747 4.951 30 20 DJED C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(CC#N)cc1 1473818535 QOXJJNDVTMBEDV-DYESRHJHSA-N 304.437 4.521 30 20 DJED CCCC[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)C(C)C 1521554922 RDPQBCOUTVDGON-LBPRGKRZSA-N 304.459 4.509 30 20 DJED CC[C@H](CC(=O)O[C@@H](C)c1cccc(C#N)c1)c1ccccc1 1525564755 MUVXCDCNQCCRAD-DOTOQJQBSA-N 307.393 4.746 30 20 DJED CC(C)c1ccc(C(=O)N2CCc3c(C#N)cccc32)cc1Cl 1526022830 FTABQORRSLVXRC-UHFFFAOYSA-N 324.811 4.538 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)CCc1ccc(F)cc1Cl 1560897527 DPGFXHUJNLRDTN-ZDUSSCGKSA-N 316.807 4.586 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)C[C@@H](C)C3CC3)c2C#N)[C@@H](C)C1 1583688970 CASMPQSCWMEHFK-TUAOUCFPSA-N 316.470 4.680 30 20 DJED COc1ccccc1[C@H](CC(C)C)OC(=O)c1cccc(C#N)c1 1595973577 PNHIPAMCTFDOBK-IBGZPJMESA-N 323.392 4.511 30 20 DJED CCCC[C@H](CC)COc1nc2c(cc1C#N)CCCCC2 1614860849 HMEJFLPZYMHQTI-HNNXBMFYSA-N 300.446 4.817 30 20 DJED C[C@@H]1CCCC[C@@H]1CSc1nc(C(F)(F)F)ccc1C#N 1641069095 TXYVQAXJKJATIQ-ZYHUDNBSSA-N 314.376 4.890 30 20 DJED Cc1csc(NC(=O)N(CCC(C)C)CCC(C)C)c1C#N 1669735573 CQNORABAQCSDCJ-UHFFFAOYSA-N 321.490 4.854 30 20 DJED C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1CCC(CC)(CC)C1 1690328570 MRJJRCKRZLMALX-ZDUSSCGKSA-N 324.900 4.561 30 20 DJED CCCOc1ccc(CNc2ccc(C#N)c(Cl)c2)cc1 36963949 CNQZZGFQQSXXPJ-UHFFFAOYSA-N 300.789 4.613 30 20 DJED N#Cc1cccc(NC(=O)c2cc3ccccc3c3cccnc23)c1 45763973 CXLCBNQVOWHINB-UHFFFAOYSA-N 323.355 4.512 30 20 DJED CCO[C@H](C)c1nc(CSCc2ccc(C#N)cc2)cs1 76862626 CKXMPAADHOBADZ-GFCCVEGCSA-N 318.467 4.546 30 20 DJED N#Cc1ccsc1NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 108674276 JYZHLZWZGDOBFG-IRXDYDNUSA-N 318.401 4.515 30 20 DJED CCC(CC)CC(=O)Nc1ccccc1SC[C@H](C)C#N 129213019 PFNVTFCYFHRTAP-CYBMUJFWSA-N 304.459 4.703 30 20 DJED C=CCC(CC=C)C(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 150941704 ACRIFCBVHFQYBY-KBXCAEBGSA-N 301.405 4.504 30 20 DJED COc1ccc(C(=O)/C=C/C(C)=C\c2ccccc2)c(OC)c1 207625683 LEPMZIJWDYYBSL-JFPQFWRGSA-N 308.377 4.546 30 20 DJED Cc1nc(C2(/N=C(/O)C[C@H]3C=CCCC3)CCCCCC2)no1 330201943 YPUPAIUDTMROHV-HNNXBMFYSA-N 317.433 4.630 30 20 DJED C=CCCC1(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)CC1 344602952 JELDHOBOYFJMRR-GFCCVEGCSA-N 309.862 4.642 30 20 DJED CCc1ccc(NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1C 425662973 NUVITWLALCGSGE-HNNXBMFYSA-N 321.424 4.654 30 20 DJED N#CCC[C@H](NCc1ccc(C(F)(F)F)s1)c1ccccc1 428890862 VTYXGABSEDERFN-AWEZNQCLSA-N 324.371 4.902 30 20 DJED C[C@H](SCc1ccn(C2CCCC2)n1)c1cccc(C#N)c1 443145699 NJVSOUOJFQIHRS-AWEZNQCLSA-N 311.454 4.864 30 20 DJED C=CC[C@H]1N(Cc2csc([C@@H](C)OCC)n2)CCCC1(C)C 444776458 CCOWHTFNBXWFNF-GDBMZVCRSA-N 322.518 4.807 30 20 DJED C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)c1cccc(C#N)c1 461747526 RDILXHCPNIXJSH-AWEZNQCLSA-N 306.409 4.598 30 20 DJED Cc1cccc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)c1C 464592725 ODWXLEKMORXGIJ-FQEVSTJZSA-N 318.420 4.543 30 20 DJED C=CCC1(C(=O)Nc2cccc(CCC(F)(F)F)c2)CCC1 479157973 NYAVXCQFXASKED-UHFFFAOYSA-N 311.347 4.866 30 20 DJED Cc1cc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)ccc1C1CC1 481917946 POCOSLIGFQMWMF-AWEZNQCLSA-N 319.408 4.627 30 20 DJED COc1c(C)ccc(NCc2ccccc2C(C)(C)C#N)c1C 486449483 UGBPICQJIYREFW-UHFFFAOYSA-N 308.425 4.725 30 20 DJED CC(C)CCN(CCC#N)C(=O)Nc1ccc(C2CCC2)cc1 489745281 NMCRMRURPJCAMD-UHFFFAOYSA-N 313.445 4.748 30 20 DJED C=CCCC(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1 499213080 SPXQIIQUDLROQM-UHFFFAOYSA-N 318.376 4.932 30 20 DJED Cc1cc(C)c(C(=O)[C@@H](C)Sc2ccc(C#N)cc2)cc1C 509680696 MXSJDOWSPIKONR-OAHLLOKOSA-N 309.434 4.847 30 20 DJED C=CCOc1ccc(CNCc2c(C)oc3ccccc23)cc1 512537242 PGWUKQSLGBWGJE-UHFFFAOYSA-N 307.393 4.596 30 20 DJED CC(C)(C#N)CCSc1nnc(-c2cc3ccccc3o2)o1 531142531 FRKHHVUBKUYXDX-UHFFFAOYSA-N 313.382 4.515 30 20 DJED CC(C)(CCC#N)CNCCc1cccc(-c2ccccc2)c1 532374114 FTYRCVPKHVOREP-UHFFFAOYSA-N 306.453 4.816 30 20 DJED CCCCCN(CCCCC)C(=O)c1ccc(CC#N)cc1 534622290 AFVIPSJSXPECGV-UHFFFAOYSA-N 300.446 4.575 30 20 DJED C=CC[C@H](C)NC(=O)c1cc(C)ccc1SC1CCCC1 540725931 KWQOTVSQRYWQJQ-AWEZNQCLSA-N 303.471 4.724 30 20 DJED C=CCCCC(=O)Nc1ccc(N2CCCCCC2)cc1C 553298638 FLVRERPOYYKMAH-UHFFFAOYSA-N 300.446 4.670 30 20 DJED C=C[C@@](C)(CC)C(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 558117507 XPKAHFJAGBTVPD-WBVHZDCISA-N 323.889 4.635 30 20 DJED C=CCCCCSCC(=O)Nc1ccccc1C(F)(F)F 562824544 IGJMOWWXEYCTOF-UHFFFAOYSA-N 317.376 4.733 30 20 DJED C=CCC[C@H](CC)N[C@@H](c1cncc(Br)c1)C1CC1 570871793 NIAGEWPJMXCYEW-JKSUJKDBSA-N 323.278 4.630 30 20 DJED Cc1ccc(C[C@H](C#N)Sc2ccc(C(F)(F)F)cn2)cc1 589167084 KUUJQPZVECCFGD-CQSZACIVSA-N 322.355 4.636 30 20 DJED N#C[C@@H](C(=O)c1cc2occc2s1)c1ccc2ccccc2n1 606146877 RBWASSKXKFVHKX-GFCCVEGCSA-N 318.357 4.533 30 20 DJED Cc1cc(C)cc(NC(=S)Nc2ccc(C#N)c(Cl)c2)c1 726434928 WHRUOJTXLHDEPW-UHFFFAOYSA-N 315.829 4.637 30 20 DJED O=C1/C(=C\c2cc(F)c(F)c(F)c2)CSc2ccc(F)cc21 727974336 JVFFSZYBYRCNPK-OQFOIZHKSA-N 324.298 4.615 30 20 DJED CC(C)C[C@H](C)CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730416942 JJMINGVRWISQSI-AAEUAGOBSA-N 318.417 4.684 30 20 DJED C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H]2CCC[C@H](C)C2)c1 741557821 ZXTNVXRZIPRHLX-FUHWJXTLSA-N 321.420 4.620 30 20 DJED O=C(/C=C\c1cccc(O)c1)c1cccc(-c2ccccc2)c1 746346526 RCNNVINLVUOLSB-SEYXRHQNSA-N 300.357 4.955 30 20 DJED Cc1ccc(-c2nc(/C=C3/CCc4ccccc4C3=O)co2)cc1 748440630 LMQDBVCLQAQEJW-ATVHPVEESA-N 315.372 4.863 30 20 DJED N#Cc1c(F)ccc(/C=C\C(=O)c2cc(F)ccc2F)c1Cl 761476860 KWNTWICSUWQCSU-KXFIGUGUSA-N 321.685 4.525 30 20 DJED CC(CCc1ccsc1)=NNc1nc(C(F)(F)F)cs1 764908139 JHVBFAKHUKTUDB-UHFFFAOYSA-N 319.377 4.644 30 20 DJED CC(C)(C)Oc1ccc(C(=O)/C=C/c2ccc(Cl)nc2)cc1 764922111 WEXUDDHZEXWBPG-ONNFQVAWSA-N 315.800 4.808 30 20 DJED CCn1nc(/C=C/C(=O)c2coc3ccccc23)c2ccccc21 769747295 ZNUUKTROFKFOML-VAWYXSNFSA-N 316.360 4.699 30 20 DJED C=CC[C@@H](N[C@H]1CCCc2c(C)ccc(C)c21)c1ccncc1 769970092 RQMNKIUWBIOMIY-UXHICEINSA-N 306.453 4.983 30 20 DJED CC(C)C(CCc1ccccc1)=NNc1nccnc1C(C)C 773078196 MKVSJEIIAFKBFC-UHFFFAOYSA-N 310.445 4.657 30 20 DJED CC(=NNc1oc(C(C)C)nc1C#N)c1cc2ccccc2s1 780212957 BDDZISKWCKHTMZ-UHFFFAOYSA-N 324.409 4.720 30 20 DJED O=C1/C(=C\c2cnc(-c3ccco3)s2)CCc2ccccc21 788099678 STQJRFQAKRKTCQ-RAXLEYEMSA-N 307.374 4.616 30 20 DJED CC(=NNc1cc(C)ncn1)c1ccccc1SC(C)(C)C 788429636 LURULZIKVOEGRP-UHFFFAOYSA-N 314.458 4.512 30 20 DJED Cc1ccc(-c2ncc(/C=C\C(=O)c3ccnc(F)c3)s2)cc1 794718800 LXADUTMNPTWHBO-SREVYHEPSA-N 324.380 4.549 30 20 DJED CC(C)Oc1cccc([C@H](C)OC(=O)CCCCCC#N)c1 805924211 FAAWJYSEMSBXIZ-HNNXBMFYSA-N 303.402 4.552 30 20 DJED N#CCCCCCC(=O)N[C@H](c1ccccc1)C1CCCCC1 806458541 KLBQSEDYMZKPDI-HXUWFJFHSA-N 312.457 4.898 30 20 DJED C#CCN(C(=O)Nc1ccc(S[C@H](C)CC)cc1C)C1CC1 836349748 SHGWEZHMVZNLRI-CQSZACIVSA-N 316.470 4.515 30 20 DJED CC(C)(C)CC(C)(C)c1ccc(OC(=O)CSCC#N)cc1 915132936 RNAUFACRTHYHFN-UHFFFAOYSA-N 319.470 4.563 30 20 DJED CCCCOc1ccc(C(=O)/C=C/c2cccs2)cc1OC 915990348 NRTLCQAONZGQOK-CMDGGOBGSA-N 316.422 4.832 30 20 DJED COCCOc1cccc(/C=C\C(=O)c2ccc(C(C)C)cc2)c1 917142809 QQTSHXMPIZRBBX-GHXNOFRVSA-N 324.420 4.731 30 20 DJED C[C@@H](CC(=O)Nc1sc2c(c1C#N)CCCC2)CC(C)(C)C 1124369525 WAMVOUORMLPMQB-LBPRGKRZSA-N 318.486 4.899 30 20 DJED COc1cc(CNC2CCC3(CCCCC3)CC2)ccc1C#N 1202018329 LTPYLXLGCGBURA-UHFFFAOYSA-N 312.457 4.550 30 20 DJED C[C@]1(c2ccc(C(F)(F)F)cc2)CCCN1CC1(CC#N)CC1 1308006025 NLSUENYZHBHOQD-MRXNPFEDSA-N 322.374 4.710 30 20 DJED CC[C@H](c1ccccc1)c1nnc(/C=C/c2ccccc2C#N)o1 1322362830 DAHDFHJXPBRTCP-QFQMRYFISA-N 315.376 4.654 30 20 DJED C[C@@H](CSc1ccccc1)c1nnc(-c2ccc(C#N)cc2)o1 1327885926 TZNABUWVWHCOSO-ZDUSSCGKSA-N 321.405 4.504 30 20 DJED CC(C)(C#N)Cc1nnc(-c2cc3c(s2)CCCCCC3)o1 1333106045 TZRPCECWODUCFX-UHFFFAOYSA-N 315.442 4.549 30 20 DJED Cc1ccc(C(=O)N(C)C2CC(C)(C)CC(C)(C)C2)cc1C#N 1437512550 YBBKEDJJWJDFEL-UHFFFAOYSA-N 312.457 4.544 30 20 DJED CC[C@@H](c1ccccc1)[C@@H]1CCCN1CCc1ccc(C#N)cc1 1459653060 NQMUNUUPNVXNRL-VXKWHMMOSA-N 318.464 4.759 30 20 DJED CSc1ccc(NCc2ccc(C#N)c(C)c2)cc1Cl 1461316376 PQYXMGGBCVSMRA-UHFFFAOYSA-N 302.830 4.854 30 20 DJED Cc1cccc(-c2ccc(CNc3nc(C)ccc3C#N)cc2)c1 1472701523 VGQBNMBNCYXXLE-UHFFFAOYSA-N 313.404 4.849 30 20 DJED C[C@H](C(=O)Nc1ccc(Cl)cc1C#N)c1ccc(Cl)cc1 1587283962 YPUBGIVYQLYMQN-JTQLQIEISA-N 319.191 4.607 30 20 DJED Cc1ccccc1[C@H](Nc1ccnc(C#N)n1)[C@H]1CCC[C@H](C)C1 1611961521 GPIZBNIMXMNLDV-DKICVRJWSA-N 320.440 4.636 30 20 DJED CC(C)c1ccc(C[C@H](C)Nc2ncc(C#N)cc2Cl)cc1 1612145685 USOKXHNJPIKOFD-ZDUSSCGKSA-N 313.832 4.773 30 20 DJED C[C@H](NCCc1ccc(C#N)cc1)c1cccc(Cl)c1Cl 1642526632 OQLOYCDJFLCOQF-LBPRGKRZSA-N 319.235 4.758 30 20 DJED CCc1ccc(C2=CCN([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 1642535285 XRLBWYFOFIXXSW-KRWDZBQOSA-N 316.448 4.971 30 20 DJED Cc1ccc2c(c1)CN(Cc1ccc(C#N)c(C)c1)C(C)(C)C2 1652529076 KBYIVRXKGMDZAR-UHFFFAOYSA-N 304.437 4.512 30 20 DJED Cc1nc(N(C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)ccc1C#N 1655231825 MKXNAAZVGXGKRC-GXTWGEPZSA-N 313.832 4.544 30 20 DJED Cc1cc(SCc2ncc(-c3cccs3)o2)ccc1C#N 1656666963 MMSHZHUIASEXJH-UHFFFAOYSA-N 312.419 4.876 30 20 DJED CC[C@@H](C)c1ccc(C(=O)/C=C/c2cccc(C(=O)O)c2)cc1 1776697832 PRXCZZJWIQNFID-WEKMIXOTSA-N 308.377 4.794 30 20 DJED C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1cccc2ccccc12 7980843 AFZHYBKUYHOKBN-ZDUSSCGKSA-N 317.348 4.793 30 20 DJED CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc1 13343445 RMOWCLCULQBBTP-AWNIVKPZSA-N 308.377 4.578 30 20 DJED N#Cc1ccc(OCC(=O)c2ccc3ccccc3c2)c(Cl)c1 18963419 GEDWECIFAUYRLL-UHFFFAOYSA-N 321.763 4.627 30 20 DJED c1ccc(C2CCC(=NNc3ncnc4sccc34)CC2)cc1 19330035 GFUUBWCAYPSROL-UHFFFAOYSA-N 322.437 4.817 30 20 DJED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCC2)cc1Cl 47227184 MJBLPLSVMYOPCL-QGZVFWFLSA-N 324.811 4.734 30 20 DJED C=CCN(Cc1cc(-c2cccs2)on1)Cc1cccs1 50274450 FZUIUFJTMHPKFQ-UHFFFAOYSA-N 316.451 4.653 30 20 DJED COc1ccc2cc(CN[C@@H](C)c3ccc(C#N)cc3)ccc2c1 75755709 JZFXQMKBVBQFQW-HNNXBMFYSA-N 316.404 4.571 30 20 DJED Cc1oc(-c2ccccc2)nc1CSc1ccc(C#N)cc1 79647743 YZSOCNHVIXCRLT-UHFFFAOYSA-N 306.390 4.814 30 20 DJED CCN(C(=O)c1cc(C#N)cs1)[C@@H](C)c1cc2ccccc2o1 84085920 APWYRDMBVNDWRB-LBPRGKRZSA-N 324.405 4.589 30 20 DJED C[C@H](N[C@H](CCC#N)c1ccccc1)c1cc(F)cc(F)c1 90665755 YVJVGVJNIGJQGD-SCLBCKFNSA-N 300.352 4.660 30 20 DJED CCc1c(C(=O)/C=C\c2cccc(C#N)c2)oc2ccccc12 96939800 FJHILYMPFPNNDZ-KHPPLWFESA-N 301.345 4.763 30 20 DJED C[C@H](CC(=O)Nc1ccccc1SCCC#N)c1ccccc1 108201269 HISNIPLQYGARFJ-OAHLLOKOSA-N 324.449 4.825 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1F)c1ccc(Cl)c(Cl)c1 120102892 UUJUYFCFVLHHQV-SNVBAGLBSA-N 323.198 4.855 30 20 DJED C[C@@H](Nc1ccc(F)cc1OCC#N)c1ccc(F)c(Cl)c1 155434694 QABIAWCGTGZIFI-SNVBAGLBSA-N 322.742 4.694 30 20 DJED CC[C@@H](NCc1cccc(C#N)c1)c1cccc(Cl)c1F 161556159 OCTPZCAQLDFISM-MRXNPFEDSA-N 302.780 4.592 30 20 DJED C=C[C@@H](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1ccccc1 179384224 UJNAAYVLWRXIME-CVEARBPZSA-N 311.400 4.705 30 20 DJED C=CCC[C@@H](Nc1ccc(NC(=O)c2ccco2)cc1)C1CC1 182849122 DISFWUHFYQPTCE-QGZVFWFLSA-N 310.397 4.689 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCc1cc(F)cc(F)c1 187282946 RICZNOORTJBJOO-GFCCVEGCSA-N 318.392 4.971 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)C[C@@H]1C=CCCC1 187771161 XYKKFFHJEMJCBA-HUUCEWRRSA-N 314.454 4.623 30 20 DJED COc1cccc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)c1 210576961 LDPUSSHOBJTJIQ-YVMONPNESA-N 307.176 4.898 30 20 DJED CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1ccc(CC#N)cc1 264633406 LDALXMVCOPEAPB-INIZCTEOSA-N 321.424 4.585 30 20 DJED CCOCCC1(CNc2c(C#N)cnc3ccccc23)CCCC1 301649433 JATZGTZELHPZCY-UHFFFAOYSA-N 323.440 4.505 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1cc2c(F)cccc2[nH]1 437574501 COYZMMXFFUUICS-UHFFFAOYSA-N 321.399 4.589 30 20 DJED CCCN(C(=O)c1cc(C#N)cs1)[C@H](CC)c1ccccc1 437675840 INJZRQZPKQXNBE-MRXNPFEDSA-N 312.438 4.623 30 20 DJED CCC(=O)c1ccc(OCc2ccc(C#N)cc2Cl)c(F)c1 438889836 JDIVOLLZNPOBSV-UHFFFAOYSA-N 317.747 4.522 30 20 DJED CC[C@H](NCCc1cc2ccccc2o1)c1ccc(C#N)cc1 447587687 RVJINTYMCYRQEK-IBGZPJMESA-N 304.393 4.588 30 20 DJED CCc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)cc1Cl 462498532 FQQBQUJFIWKWEC-GFCCVEGCSA-N 312.800 4.516 30 20 DJED C[C@H](c1cc2ccccc2o1)N(C)Cc1cc(F)ccc1C#N 468886800 HNXMDRRMXKIKBO-CYBMUJFWSA-N 308.356 4.637 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1cc(F)cc(Cl)c1 478731059 FBQZSRZPSHFOGZ-UHFFFAOYSA-N 324.808 4.761 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1ccc2[nH]ccc2c1 485355922 IOBCBOBHSSKALY-UHFFFAOYSA-N 311.429 4.768 30 20 DJED N#Cc1ccc(CN2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)c(F)c1 502784980 QLUJDNYFSFYIHT-WOJBJXKFSA-N 318.395 4.518 30 20 DJED Cc1cc(NCC(C)(C)CCC#N)cnc1N1CCCC[C@@H]1C 503889993 FPHBXMVCANFTJJ-INIZCTEOSA-N 314.477 4.511 30 20 DJED C=CCN(Cc1csc(C(C)(C)C)n1)Cc1cccs1 506010944 WNRHYZCTEBFDJJ-UHFFFAOYSA-N 306.500 4.690 30 20 DJED Cc1c(COC(C)(C)C)cccc1NCc1ccc(C#N)cc1 530624657 MZTWOVCYKRKCMI-UHFFFAOYSA-N 308.425 4.794 30 20 DJED Cc1cc(F)ccc1N(CCCCC#N)Cc1ccc(C#N)cc1 533385013 UHARJFSAICTBEV-UHFFFAOYSA-N 321.399 4.706 30 20 DJED CC(C)CCc1ccc(NCCCC2(C#N)CCOCC2)cc1 537508650 XZAJZFNGUWKCGQ-UHFFFAOYSA-N 314.473 4.788 30 20 DJED CC(=O)c1ccc(C#N)c(NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 542506706 JWWXMQAAEKSAFR-DOMZBBRYSA-N 324.346 4.541 30 20 DJED CC(C)[C@H](Nc1cc(C#N)ccn1)c1ccc(C(F)(F)F)cc1 553160353 JDZRHSINSBURTE-INIZCTEOSA-N 319.330 4.781 30 20 DJED C=C[C@H](CC(=O)NC[C@@H](c1ccccc1)C1CC1)c1ccccc1 563906381 HMRIKFOFHRYYRI-UTKZUKDTSA-N 319.448 4.656 30 20 DJED Cc1ccc(C[C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)s1 611393641 YQBYJRPXJXMOFB-DJJJIMSYSA-N 310.466 4.526 30 20 DJED C=CC[C@@H](CC)NC(=O)Cc1coc2ccc3ccccc3c12 684938467 BAGZWOYYGMONER-MRXNPFEDSA-N 307.393 4.599 30 20 DJED C=C(C)[C@@H](N[C@H]1CCCc2cccnc21)c1ccc(F)c(F)c1 684962775 XMRPHTFAFGVQIG-ZWKOTPCHSA-N 314.379 4.644 30 20 DJED N#Cc1ccc(NN=C/C=C/c2ccccc2)cc1C(F)(F)F 726425786 HJADFFQQNYKAMF-LFHQSIDJSA-N 315.298 4.688 30 20 DJED C[C@H](OC(=O)/C=C/c1ccc(Cl)s1)c1cccc(C#N)c1 727640120 BWAPUZOJRBXFOV-IOCXFXADSA-N 317.797 4.591 30 20 DJED CC1(C)CCc2cc(/C=C/C(=O)c3cccc(C#N)c3)ccc2O1 731564633 MYACTMLTYMSLAV-SOFGYWHQSA-N 317.388 4.558 30 20 DJED C[C@H](CC#N)OC(=O)c1cc2sc3ccccc3c2s1 733710959 OHLHDJWTGVNQPC-SECBINFHSA-N 301.392 4.575 30 20 DJED CCc1ncc(C=NN(c2ccccc2)c2ccccc2)s1 752156523 CCPCJZKRNIBIMH-UHFFFAOYSA-N 307.422 4.878 30 20 DJED C=C(Cl)CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 757272673 CSDDMWZXQRIQHR-HNNXBMFYSA-N 301.817 4.708 30 20 DJED CC(C)c1ccc2c(c1)[C@H](NCc1ccc(C#N)cc1)CCCO2 768507995 JRQZGIXEOUCAMP-HXUWFJFHSA-N 320.436 4.685 30 20 DJED N#Cc1cc(/C=C/C(=O)c2cccc(Cl)c2Cl)ccc1F 770571417 CTWQSMZAKYRSRJ-FNORWQNLSA-N 320.150 4.900 30 20 DJED C#CCCCCC(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 773231372 MUFBAIQISJYLAE-UHFFFAOYSA-N 324.251 4.678 30 20 DJED CC[C@H](N[C@H](C)c1cccc(C#N)c1)c1cc(Cl)ccc1O 775511110 BOWCTPFVSOKWQO-PXAZEXFGSA-N 314.816 4.719 30 20 DJED Cc1ccc([C@H](NCc2cc(C#N)ccc2F)C2CCCC2)o1 775633625 QUPKTNUNMUKEAN-LJQANCHMSA-N 312.388 4.620 30 20 DJED CC(C)(C#N)CCOC(=O)Cc1cc2c(ccc3ccccc32)o1 776398568 LHDCAMJDSGHCKI-UHFFFAOYSA-N 321.376 4.612 30 20 DJED Cc1[nH]c2ccccc2c1C(=O)/C=C\c1ccc2cnccc2c1 782321592 BNDITYQBQSRDSM-CLFYSBASSA-N 312.372 4.921 30 20 DJED C=C[C@@](C)(CC)C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 785759737 PHYAXLKCKPPVFA-KRWDZBQOSA-N 319.788 4.641 30 20 DJED CC(=NNc1ccc(C#N)cc1)[C@@H]1C[C@H]1c1ccc(Cl)s1 788424685 KUSYJEGHZFKVQD-UONOGXRCSA-N 315.829 4.865 30 20 DJED N#Cc1cc(C(=O)OCc2cccc(C(F)F)c2)ccc1Cl 791759523 SJDZJAHLHYEAGY-UHFFFAOYSA-N 321.710 4.506 30 20 DJED Cc1nn(C(C)C)cc1/C=C\C(=O)c1ccc(C(F)(F)F)cc1 798370140 DPVSLLGQWYJDJY-TWGQIWQCSA-N 322.330 4.687 30 20 DJED O=C(/C=C\c1c[nH]c(C(F)(F)F)c1)c1cc2ccccc2o1 806565308 JZQZMSIPTHJXFZ-WAYWQWQTSA-N 305.255 4.676 30 20 DJED C#CCCCCNC(=O)N(CC(C)C)[C@@H](C)c1ccccc1C 806957982 CIPSUGKATJMDRU-SFHVURJKSA-N 314.473 4.527 30 20 DJED COc1cc(Cl)c(N[C@@H](C)c2cccc(C#N)c2)cc1C 808722402 BTCYQSKEPPZGEW-LBPRGKRZSA-N 300.789 4.702 30 20 DJED CCCCCC(C)=Nn1c(S)nnc1-c1ccccc1Cl 818227571 GZLBLIPUGYTTLQ-UHFFFAOYSA-N 322.865 4.692 30 20 DJED CC(C)c1ccc(C[S@](=O)CCCCC2(C#N)CCC2)cc1 899277286 GDWUHKHNQJUKHM-JOCHJYFZSA-N 317.498 4.923 30 20 DJED N#Cc1ccc(CNc2ccc(OC3CCCC3)cc2)c(F)c1 913071884 NGDCHHGRDCQMPJ-UHFFFAOYSA-N 310.372 4.631 30 20 DJED CCc1ccccc1NN=C(C)c1sccc1Br 915051879 XBAMVRXFERXAIP-UHFFFAOYSA-N 323.259 4.909 30 20 DJED CCCCCCCCCSc1nnc(-c2ccncc2)n1C 915791919 UEEHVZASBDHPSN-UHFFFAOYSA-N 318.490 4.720 30 20 DJED Oc1ccc2ccccc2c1C=Nc1cccc(OC(F)F)c1 915980130 XIFOMWDDBROQDQ-UHFFFAOYSA-N 313.303 4.897 30 20 DJED CC1(C)CC(=O)C(=CNc2ccc(-c3ccccc3)cc2)C(=O)C1 920974427 LFOVMGQELNYDFR-UHFFFAOYSA-N 319.404 4.608 30 20 DJED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1coc2ccccc12 926314927 JAPJISDBOXNROM-ORAYPTAESA-N 302.377 4.643 30 20 DJED Cc1cc(COc2cc(C#N)ccc2Br)c(C)s1 1166651499 VCBHUSQNNKEZGH-UHFFFAOYSA-N 322.227 4.578 30 20 DJED N#Cc1cc(Nc2ccc(Oc3ccccc3Cl)cc2)ncn1 1184681877 XGFYQAHRIPKSJF-UHFFFAOYSA-N 322.755 4.538 30 20 DJED CSc1ccc([C@@H](C)Nc2nc(C)c(C#N)cc2Cl)cc1 1186221706 VSOFSKPGTHIXGZ-SNVBAGLBSA-N 317.845 4.810 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2CCC[C@@H](c3ccccc3)C2)n1 1307124971 IGUHTRMUCNYRBB-GOSISDBHSA-N 319.452 4.635 30 20 DJED C[C@H]1C[C@@H](C)CN1CCC(C#N)(c1ccccc1)c1ccccc1 1307489102 IDGXUIPYUYNSEI-MOPGFXCFSA-N 318.464 4.617 30 20 DJED COc1cc(CNc2ccc(Cl)c(SC)c2)ccc1C#N 1308438895 XENBZBOFLNMVFI-UHFFFAOYSA-N 318.829 4.554 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 1310382436 ROEPREKEYGLAQL-IAGOWNOFSA-N 313.445 4.593 30 20 DJED CC1(C)CCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 1310782473 PMOOLTGUMZECJP-UHFFFAOYSA-N 319.474 4.571 30 20 DJED N#Cc1ccc(-c2nnc([C@@H]3CCC[C@@H]3c3ccccc3)o2)cc1 1329220944 AKUJEVAEOGAWMT-QZTJIDSGSA-N 315.376 4.660 30 20 DJED CC(C)[C@H]1C[C@H](Nc2ccc(OCC#N)cc2)c2ccccc21 1343910857 BSEQWBRCVFWSPQ-UXHICEINSA-N 306.409 4.885 30 20 DJED CC(C)c1ccc(CN(C(=O)c2csc(C#N)c2)C2CC2)cc1 1350819786 YZLXPHXQFLPOKB-UHFFFAOYSA-N 324.449 4.548 30 20 DJED Cc1ccc(C(=O)N(C)C2CCC(C(C)(C)C)CC2)cc1C#N 1358315887 BWISCONTEHCYRV-UHFFFAOYSA-N 312.457 4.544 30 20 DJED Cc1ccc2sc(N[C@H]3CCc4cc(C#N)ccc43)nc2c1C 1472773668 DXRWYNRJKUPGAU-INIZCTEOSA-N 319.433 4.884 30 20 DJED N#Cc1ccc(OCc2c(Cl)oc3ccccc23)cc1F 1472990391 ZPJYFXSPAHTEHL-UHFFFAOYSA-N 301.704 4.676 30 20 DJED CCC[C@@H](Cc1ccccc1)Nc1ccccc1O[C@H](C)C#N 1474386892 IOQIOWUBSUVFHL-AEFFLSMTSA-N 308.425 4.801 30 20 DJED CC[C@H]1c2ccccc2CN1C(=O)c1ccc(C(C)(C)C#N)cc1 1539153015 UHLSQMDCZPWIEE-IBGZPJMESA-N 318.420 4.595 30 20 DJED CC[C@@H]1CN(c2cccc(F)c2C#N)CC[C@@H]1c1ccccc1 1559127243 FOPJWGRZEVKGBN-WBVHZDCISA-N 308.400 4.717 30 20 DJED CC[C@H](Sc1nc(C)cc(C)c1C#N)c1ccc(F)cc1 1613189917 CDHHHGHNZQHJSC-INIZCTEOSA-N 300.402 4.953 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@H]1CCCCC1(F)F 1652554758 JHMBMJBYVGJCGT-KZNAEPCWSA-N 318.411 4.584 30 20 DJED CC[C@H]1CCCC[C@H]1Nc1nccc(Oc2cccc(C#N)c2)n1 1654957591 RLTJEPKKIGBHJK-DOTOQJQBSA-N 322.412 4.521 30 20 DJED COc1ccc([C@@H](C)CSc2ccc(C#N)cc2F)cc1 1656305045 YBMFHHVAFZHBCV-LBPRGKRZSA-N 301.386 4.602 30 20 DJED C[C@@H](Cc1ccc(F)cc1Cl)Nc1cccc(CC#N)c1 1659236353 PUEMZVUEUBQJCX-LBPRGKRZSA-N 302.780 4.588 30 20 DJED O=C(O)c1ccc(-c2ccc(C=NNc3ccccc3)s2)cc1 1776032700 KUKQULVEQHSXAF-UHFFFAOYSA-N 322.389 4.559 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)Nc1ccccc1Cl 56529910 AGWCCNGFAUDGRJ-UHFFFAOYSA-N 318.779 4.699 30 20 DJED C=CCOc1ccccc1CNCc1ccc(Cl)cc1Cl 60815941 DHMUMKQDMMFHCD-UHFFFAOYSA-N 322.235 4.848 30 20 DJED COc1ccc(C(=O)/C=C\c2cccc(C(F)(F)F)c2)cc1F 98053927 VWTNSYYHODJTIV-ALCCZGGFSA-N 324.273 4.749 30 20 DJED CCN(C(=O)c1cc(Cl)ccc1Cl)c1ccc(C#N)cc1 152196516 BAFKWHKQSMTDFC-UHFFFAOYSA-N 319.191 4.532 30 20 DJED Cc1cc(SC(C)(C)C)ccc1NC(=O)NCCCCC#N 171399767 HNBMZGQOJUIWJQ-UHFFFAOYSA-N 319.474 4.701 30 20 DJED Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1cccc(C#N)c1 178874316 MUFYUPHXFIVWKI-AWEZNQCLSA-N 313.470 4.640 30 20 DJED CCSc1cccc(CNc2ccccc2O[C@@H](C)C#N)c1 185622035 XWRWTNWCHUEIAZ-AWEZNQCLSA-N 312.438 4.702 30 20 DJED C[C@@H](N[C@H](C)c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 213670724 QNXQQPCJJMESGJ-VXGBXAGGSA-N 302.780 4.763 30 20 DJED CC(C)c1oc([C@H]2CCCN2CCCC#N)nc1-c1ccccc1 266930337 OFUXEWALZHOGHO-QGZVFWFLSA-N 323.440 4.906 30 20 DJED C[C@@H](/N=C(/O)c1cnc(C(C)(C)C)s1)c1ccc(Cl)cn1 331005397 SITGMRWBOVBSIV-SECBINFHSA-N 323.849 4.555 30 20 DJED N#CCC[C@H](Nc1cncc(-c2cccs2)n1)c1ccccc1 338685106 YOQOAGBSIILTGY-HNNXBMFYSA-N 320.421 4.662 30 20 DJED C[C@H](NCC1(CC#N)CC1)c1ccc(Cl)c(Cl)c1Cl 430742290 LOGVVTMYRXDZCP-VIFPVBQESA-N 317.647 4.991 30 20 DJED C=CCC[C@@H](NC(=O)Nc1ccc(OC)cc1C)c1ccccc1 435620027 YPLQKHGZRSYCKT-LJQANCHMSA-N 324.424 4.833 30 20 DJED C=CCC(CC=C)C(=O)N1CC[C@@H](C)Sc2ccccc21 467733893 CIWUBCKIFAXEIA-CQSZACIVSA-N 301.455 4.672 30 20 DJED C=C[C@](C)(CC)C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 467994648 PEQNFEZYICDFBO-GOSISDBHSA-N 303.833 4.558 30 20 DJED C=CC1CCN(Cc2nc(C)c(-c3ccc(Cl)cc3)o2)CC1 468279630 YMQGMECXHLJACF-UHFFFAOYSA-N 316.832 4.701 30 20 DJED N#Cc1cc(F)ccc1CSCCOc1ccccc1Cl 488528778 MTJCJRKBKJMBKH-UHFFFAOYSA-N 321.804 4.663 30 20 DJED C[C@@H](SCc1ccc(F)cc1C#N)c1ccc(F)cc1F 488551849 IKSRRIWHKKZNBY-SNVBAGLBSA-N 307.340 4.970 30 20 DJED C=C(C)CN(CC)C(=O)C1(Sc2ccccc2)CCCC1 518370947 LISVIEDPBCWCEF-UHFFFAOYSA-N 303.471 4.516 30 20 DJED C=CC1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 521956257 OZGRQRRONOIIKR-UHFFFAOYSA-N 323.461 4.552 30 20 DJED Cc1ccccc1-c1cnc(CNc2ccc(C#N)cc2Cl)o1 535265812 VMEFVZUMUWOHAC-UHFFFAOYSA-N 323.783 4.787 30 20 DJED CC(C)(C#N)CCCSCCOc1ccc(F)cc1Cl 537626312 NIGYMEAFAFSROT-UHFFFAOYSA-N 315.841 4.921 30 20 DJED CC(C)(C)C(=O)c1ccc(NCc2ccc(CC#N)cc2)cc1 541293533 PJYYEJXJBKDGME-UHFFFAOYSA-N 306.409 4.594 30 20 DJED N#CCc1ccc(CN[C@@H](c2ccccc2F)C2CCCC2)cc1 543186562 WGWWFCKPJSNACP-OAQYLSRUSA-N 322.427 4.913 30 20 DJED CC(C)CN(C(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1 557780114 QCNLNGMLXFOZTK-IBGZPJMESA-N 320.436 4.763 30 20 DJED CC[C@H](Nc1cnn(C2CCCC2)c1C)c1ccc(C#N)cc1 560001256 OKPYVDWFSGOQLQ-SFHVURJKSA-N 308.429 4.742 30 20 DJED C=CCC(C)(C)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 560120479 DPSUJEVFEMAZQV-OAHLLOKOSA-N 308.425 4.528 30 20 DJED C[C@@H](NCc1ccc(CC#N)cc1)C1CCC(C(F)(F)F)CC1 564962110 ABYGQUUQFCRPRK-NVPAJSRCSA-N 324.390 4.599 30 20 DJED CCN(CCCC1(C#N)CCOCC1)c1cccc2ccccc12 595798182 AMTJFTDKIANRDX-UHFFFAOYSA-N 322.452 4.767 30 20 DJED N#Cc1ccc(Oc2ccc(Nc3cnccn3)cc2Cl)cc1 603942680 FGSQBSKPVCNLDV-UHFFFAOYSA-N 322.755 4.538 30 20 DJED CC(C)c1cc(=O)oc2cc(Oc3cccc(F)c3C#N)ccc12 725784380 HLKSLIOJABBBQF-UHFFFAOYSA-N 323.323 4.719 30 20 DJED O=C1/C(=C\c2csc3ccccc23)CCOc2ccccc21 728441370 INJXXLMAWQNHNY-QBFSEMIESA-N 306.386 4.950 30 20 DJED CCCCCC[C@H](C)CC(=O)N(C)c1ccc(C#N)cc1F 729653911 PFSUMOVUAVXREY-AWEZNQCLSA-N 304.409 4.657 30 20 DJED Cc1cc(C)cc(C(=O)/C=C/c2cn3cc(Cl)ccc3n2)c1 730437570 SLZZWDDORXFZLR-SNAWJCMRSA-N 310.784 4.501 30 20 DJED CCCCCCCCCCC(=O)N1CCCC[C@@H]1c1ncon1 737617357 ZWQBKKDSHFESGR-MRXNPFEDSA-N 321.465 4.654 30 20 DJED COc1ccc(/C=C2\CSc3ccccc3C2=O)cc1Cl 741471218 KAALWSAAUFUFAF-XYOKQWHBSA-N 316.809 4.721 30 20 DJED COc1ccc(/C=C\C(=O)c2oc3ccccc3c2C)cc1C#N 741848935 REZAYSGQECALEW-CLFYSBASSA-N 317.344 4.518 30 20 DJED CCCCCCCCCC(=O)N1CCOC[C@H]1c1ccccc1 742954442 BFDNYANRCACTJY-IBGZPJMESA-N 317.473 4.727 30 20 DJED CCCCCCCC(=O)NC1CCN(CC2CCCCC2)CC1 744019681 XLEKOUMEQYSHLT-UHFFFAOYSA-N 322.537 4.508 30 20 DJED Cc1ccc([N+](=O)[O-])cc1NN=Cc1c(Cl)cccc1Cl 747061190 DGDUSWVDUXDKPH-UHFFFAOYSA-N 324.167 4.656 30 20 DJED O=C(/C=C/c1ccc(O)c(F)c1)c1cc(Cl)ccc1Cl 755571031 SUXFOKFVEQVWOF-ORCRQEGFSA-N 311.139 4.734 30 20 DJED C#CCCCC(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1 757898818 MPGGGMFZYMNCMS-QFBILLFUSA-N 313.441 4.524 30 20 DJED O=C(/C=C\c1ccc(Cl)nc1)c1cc2c(s1)CCCC2 764431274 CZVITHWXUWPKLA-ALCCZGGFSA-N 303.814 4.571 30 20 DJED Clc1cscc1C=NNc1ccccc1Br 771877473 QXUIXXRACZHEOE-UHFFFAOYSA-N 315.623 4.610 30 20 DJED N#CC1(COC(=O)c2cc3sc4ccccc4c3s2)CC1 775830398 DNNIGVOMWPQRSI-UHFFFAOYSA-N 313.403 4.577 30 20 DJED O=C(/C=C/c1ccc(Cl)nc1Cl)c1cccc(Cl)c1 779357120 ALGYNNGMQQBMJT-GQCTYLIASA-N 312.583 4.938 30 20 DJED C#CCCCCCC(=O)Nc1ccc(N2CCCCCC2)cc1 780474761 BCZVWAQIYUDLHH-UHFFFAOYSA-N 312.457 4.589 30 20 DJED O=C1/C(=C\c2ccc3cnccc3c2)[C@H]2CCCc3cccc1c32 782350771 DHQUMPVYTVLVCR-BDBXIWDTSA-N 311.384 4.935 30 20 DJED CCSc1ccc([C@@H](C)Nc2nc(Cl)c(C#N)s2)cc1 804430587 AWAROCBBMDYSHO-SECBINFHSA-N 323.874 4.953 30 20 DJED C[C@H](OC(=O)CCCCCC#N)c1cccc(Br)c1 805696276 CAJNCSNYINAMPH-LBPRGKRZSA-N 324.218 4.527 30 20 DJED CC(C)CC(CC(C)C)C(=O)Nc1ccccc1O[C@H](C)C#N 828833065 BGLQSUXGAQLQLM-OAHLLOKOSA-N 316.445 4.624 30 20 DJED Cc1ccc(N(CC(C)C)C(=O)CCCCCC#N)c(C)c1 844662531 SOQLNLJCSNKFDM-UHFFFAOYSA-N 300.446 4.767 30 20 DJED CC(=NNc1nc2ccccc2[nH]1)c1cc2cc(Cl)ccc2o1 915915499 PFWOGFHPOPXJNJ-UHFFFAOYSA-N 324.771 4.799 30 20 DJED CCCCn1nc(C)c(/C=C/C(=O)c2cccs2)c1Cl 916136587 UXLXJHFFGTUPPF-BQYQJAHWSA-N 308.834 4.603 30 20 DJED Clc1ccccc1NN=Cc1cc2ccccc2nc1Cl 916262633 LSSMUUVVUOARHK-UHFFFAOYSA-N 316.191 4.988 30 20 DJED CC(=NNc1ncnc2sc(-c3ccccc3)cc12)C(C)C 916312413 WPVOLSAZPVYRHT-UHFFFAOYSA-N 310.426 4.802 30 20 DJED Cc1ccccc1OCC/N=C/c1cc(Cl)cc(Cl)c1O 917557603 BFQFBRLSFPEPEH-VXLYETTFSA-N 324.207 4.505 30 20 DJED CCOc1ccc(/C=C\C(=O)C2CCCCC2)cc1OCC 920991587 WMTMFDFGQBKXLG-BENRWUELSA-N 302.414 4.647 30 20 DJED Cc1ccc(C[C@H](N[C@@H](C)CC(C)(C)C#N)c2ccccn2)cc1 925078395 LPWNHJITGBPHKJ-PXNSSMCTSA-N 321.468 4.592 30 20 DJED C[C@H](N[C@H](C)CC(C)(C)C#N)c1ccc(Oc2cccnc2)cc1 926432020 KCCKKJCTBVXSNK-CVEARBPZSA-N 323.440 4.853 30 20 DJED CC(C)(C#N)CCCN(Cc1nc2ccccc2s1)C1CC1 932401750 WDMQVUXSYRRFMR-UHFFFAOYSA-N 313.470 4.591 30 20 DJED CC[C@H](C)c1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)cc1 1124579656 HWKXBCTUESIGAB-LBPRGKRZSA-N 312.800 4.977 30 20 DJED N#Cc1ccc(Nc2ccc(Oc3cccc(F)c3)cc2)nc1 1162220750 GAGXQFVLNQBLFS-UHFFFAOYSA-N 305.312 4.628 30 20 DJED Cc1cc(C#N)ccc1CSc1nccn1-c1ccccc1C 1307273232 CSBSHIAFHPBVPY-UHFFFAOYSA-N 319.433 4.653 30 20 DJED N#Cc1ccc2c(c1)N(Cc1ccc(C3CCCC3)cc1)CC2 1307650664 AMATZMVSKKFIQQ-UHFFFAOYSA-N 302.421 4.779 30 20 DJED CCSCc1ccc(-c2nnc(-c3ccc(C#N)cc3)o2)cc1 1322257215 SPCZAPXVCCGTEX-UHFFFAOYSA-N 321.405 4.528 30 20 DJED CC(C)(C)[C@@H](C#N)OC(=O)c1ccc(-c2cccs2)s1 1342660266 UJNZMAYNTPIFGS-CYBMUJFWSA-N 305.424 4.572 30 20 DJED CCCN(C(=O)c1ccc(C#N)cc1F)[C@@H](CC)c1ccccc1 1354334780 KWMXSUMGZFIVDX-IBGZPJMESA-N 324.399 4.701 30 20 DJED Cc1c(C#N)cccc1C(=O)N1CCCc2cc(C(C)C)ccc21 1355902062 YTMXAMSJDUKYFQ-UHFFFAOYSA-N 318.420 4.583 30 20 DJED N#CCC[C@H](NC(=O)CCC1CCCCCC1)c1ccccc1 1519986851 VAHUGYBQRQXIRM-IBGZPJMESA-N 312.457 4.898 30 20 DJED CC[C@H](C)c1ccc([C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)C)cc1 1540702501 PORKLTFYGIVHOP-IFXJQAMLSA-N 323.440 4.527 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1cc(C)c(C)cc1Cl 1543034429 FMLAUVXQZFEYFJ-UHFFFAOYSA-N 320.864 4.749 30 20 DJED Cc1cc(Oc2ncnc3scc(C)c23)c(C)c(C)c1C#N 1559186008 NRPYGCGVXJJCGK-UHFFFAOYSA-N 309.394 4.589 30 20 DJED CC[C@@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)[C@H]1C 1617361594 VXWZWQIKKRPXMT-FUHWJXTLSA-N 304.437 4.846 30 20 DJED CC(C)CC[C@H]1CC[C@H](Nc2ccc(F)cc2OCC#N)C1 1621237699 CFWVOHGDTUZGIY-HOCLYGCPSA-N 304.409 4.745 30 20 DJED N#Cc1ccc(-c2ccccc2)nc1SCC1CC(F)(F)C1 1640924134 KBEFSVJJCZYNGN-UHFFFAOYSA-N 316.376 4.758 30 20 DJED CCOc1cccc([C@H](C)Nc2nc(C(C)(C)C)ccc2C#N)c1 1651444648 YJFRNXWEXRMXOW-AWEZNQCLSA-N 323.440 4.823 30 20 DJED N#Cc1ccc(CCN[C@@H]2CCCC[C@@H](c3ccccc3)C2)cc1 1656622235 FHSSVAKCSFXMLN-FGZHOGPDSA-N 318.464 4.807 30 20 DJED Cc1ccc([C@H]2CCCC2=NNc2cccc(C(=O)O)c2C)cc1 1776087219 OTZXZNYGEICZLW-QGZVFWFLSA-N 322.408 4.737 30 20 DJED O=C(/C=C/c1ccc2c(c1)OCCO2)c1ccc2ccccc2c1 6345408 XNKOPAZZQXISAN-WEVVVXLNSA-N 316.356 4.507 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1cccc(Cl)c1F 43449901 WITYXFFWUBCTIP-UHFFFAOYSA-N 318.779 4.699 30 20 DJED C=CCC[C@H](NC(=O)Nc1ccc2c(c1)COC2)c1ccccc1 92149679 ZIDKJMZHCXNPBV-IBGZPJMESA-N 322.408 4.546 30 20 DJED N#Cc1cc(Br)ccc1NCc1ccccc1Cl 96731023 OWEAYZDQYMDPQW-UHFFFAOYSA-N 321.605 4.586 30 20 DJED CCC[C@H](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N 108237845 RCYDZAUUHVMOKG-UONOGXRCSA-N 304.459 4.703 30 20 DJED N#CCCCSc1nnc(-c2ccccc2)c2ccccc12 123847004 YAGACTSGNANRBB-UHFFFAOYSA-N 305.406 4.693 30 20 DJED CC[C@H](C)Oc1ccc(N[C@@H](C)c2ccc(OCC#N)cc2)cc1 180085420 PIFSDFDLGGNLQU-HOTGVXAUSA-N 324.424 4.939 30 20 DJED C[C@H](N[C@@H]1CC(C)(C)c2ccccc21)c1ccc(OCC#N)cc1 180538970 VATIFZMHBUZXML-MGPUTAFESA-N 320.436 4.662 30 20 DJED CSCc1ccc(N[C@H](C)c2ccc(OCC#N)cc2)cc1 183111100 WVKWAYZTIWESTG-CQSZACIVSA-N 312.438 4.625 30 20 DJED CSc1cccc(NC(=O)Nc2ccc(C#N)c(Cl)c2)c1 195660676 QMIKMWJAXKABPB-UHFFFAOYSA-N 317.801 4.578 30 20 DJED C#Cc1cccc(NC(=O)c2oc3ccccc3c2CSC)c1 198985740 SQCXBWAKWZCTRG-UHFFFAOYSA-N 321.401 4.529 30 20 DJED Cc1[nH]nc(C(F)F)c1N=C(O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 329090625 JCTLURXINNFZRT-QJPTWQEYSA-N 311.376 4.850 30 20 DJED N#Cc1c(N=C(O)[C@H]2CCSC2)sc2c1CCCCCC2 329983739 BMBVTEOXRBKAEO-NSHDSACASA-N 320.483 4.620 30 20 DJED C#CCCCCC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 367399617 AGYKJDQHAJDPBA-MRXNPFEDSA-N 323.358 4.563 30 20 DJED CC(C)c1ccsc1C(=O)Nc1ccc(CC#N)cc1Cl 411017152 POFWNHAVJZXTHF-UHFFFAOYSA-N 318.829 4.843 30 20 DJED CC(C)c1cccc(C(C)C)c1NC(=O)N(C)CC(C)(C)C#N 432470675 JHOHMBFTBJRRKK-UHFFFAOYSA-N 315.461 4.947 30 20 DJED N#CC[C@H](CC(=O)N[C@H]1CCCCC12CCCC2)c1ccccc1 462406179 HNGJYQOKGBXNQA-MOPGFXCFSA-N 324.468 4.693 30 20 DJED COc1ccc2oc([C@@H](C)Nc3ccc(F)cc3C#N)c(C)c2c1 462826020 OHJZKQYCXUFEKV-GFCCVEGCSA-N 324.355 4.934 30 20 DJED N#Cc1ccc(C(F)(F)F)c(NCc2cccc3cc[nH]c23)c1 466370716 CRNQHUMPKUDIMP-UHFFFAOYSA-N 315.298 4.670 30 20 DJED Cc1cccnc1[C@@H]1CCC[C@@H](N[C@H](C)c2ccc(C#N)cc2)C1 467376102 IMTHBTBDXAVZHP-NSISKUIASA-N 319.452 4.639 30 20 DJED C=CC[C@H](C(=O)N[C@@H](C)c1c(F)cccc1F)c1ccccc1 487709286 OCIGXFYOGYPPEJ-ZFWWWQNUSA-N 315.363 4.502 30 20 DJED C=CCN(Cc1cc(-c2ccc(C)cc2)no1)Cc1cccs1 509070343 RKVDQNZBQVBZCQ-UHFFFAOYSA-N 324.449 4.900 30 20 DJED CC1(CC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCCCC1 510466439 WZAATZBBOSQSEB-RTBURBONSA-N 324.468 4.645 30 20 DJED CC1(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCCC1 511631136 UVQWEMMCFGEGLH-UHFFFAOYSA-N 320.392 4.869 30 20 DJED C[C@@H](OCCCNc1ccc(C#N)c(Cl)c1)c1ccccc1 518351989 KNJLQWUARYPHTK-CQSZACIVSA-N 314.816 4.791 30 20 DJED CC(C)(C#N)CCCN[C@@H](c1ccc(F)cc1)C1CCCC1 540410546 PPZMJZXLMQHOMH-GOSISDBHSA-N 302.437 4.977 30 20 DJED C[C@@H](SCc1ccc(CC#N)cc1)c1nc2ccccc2o1 541295017 NCSDJZBTGVYVEV-CYBMUJFWSA-N 308.406 4.888 30 20 DJED C=C[C@H](CC(=O)N1CC[C@H](c2cccc(C)c2)C1)c1ccccc1 543338742 NBZKXXZMXHAMPX-NQIIRXRSSA-N 319.448 4.671 30 20 DJED C[C@@H]1CC(C)(C)N(C(=O)c2ccc(F)c(C#N)c2)c2ccccc21 560090772 RNJZTCRZDUUMJV-CYBMUJFWSA-N 322.383 4.630 30 20 DJED Cc1cccc(-c2ccc(CNC(=O)CCCCCC#N)cc2)c1 588158862 VOFZTYQISKRJTC-UHFFFAOYSA-N 320.436 4.752 30 20 DJED CSc1cc(N[C@H](C)CC2(C#N)CCOCC2)ccc1Cl 602690832 PPONWHUWXJGVCQ-GFCCVEGCSA-N 324.877 4.573 30 20 DJED N#CCCCCOC(=O)C1(Cc2cccc(Cl)c2)CCCC1 744138738 CELYBTPIEYDCSY-UHFFFAOYSA-N 319.832 4.680 30 20 DJED CC(Cc1ccc(-c2ccccc2)cc1)=NOCc1cccnc1 746587997 VZOLCQIKHBXVMD-UHFFFAOYSA-N 316.404 4.884 30 20 DJED Cc1cnc([C@@H](C)/N=C/c2cc(Cl)cc(Cl)c2O)s1 749931237 SGYDXBMWNBWUFJ-NGZXACEBSA-N 315.225 4.644 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CCC(c2cccc(F)c2)CC1 752089180 LSRSMMPPVGTHRY-OAHLLOKOSA-N 308.400 4.638 30 20 DJED O=C(/C=C\c1ccc(Cl)nc1Cl)c1ccc(F)cc1F 761477407 LWFNQEJTBGJVLH-KTAJNNJTSA-N 314.118 4.563 30 20 DJED O=C(/C=C/c1ccc(C(F)(F)F)s1)c1ccc(Cl)nc1 761480188 PFPKXBPWWFHEKI-DUXPYHPUSA-N 317.719 4.711 30 20 DJED CC(C)(C#N)CCCCOC(=O)C1(c2ccc(F)cc2)CCC1 768459335 HWQTXMSQUWNNFU-UHFFFAOYSA-N 317.404 4.511 30 20 DJED C[C@@H](OC(=O)c1c(Cl)cccc1Cl)c1ccc(C#N)cc1 778025248 UYOQMRKOBNYIIB-SNVBAGLBSA-N 320.175 4.783 30 20 DJED CCCCCCCCCCC(=O)N1CCC([C@@H]2CCCO2)CC1 784617427 NFOPZYRBXNJJJB-IBGZPJMESA-N 323.521 4.935 30 20 DJED C[C@@H](SCCCOc1ccc(C#N)cc1)c1cccc(C#N)c1 785535640 TWDOFJPVNVWIPJ-OAHLLOKOSA-N 322.433 4.693 30 20 DJED CC[C@@H](C)CON=C(Cc1ccccn1)c1ccc(Cl)cc1 793159759 RHBWMHOEFSPIHN-CQSZACIVSA-N 316.832 4.745 30 20 DJED N#Cc1ccccc1/C=C\C(=O)Nc1ccc(Cl)c(Cl)c1 799437208 XOAOJIVYTURCHT-YVMONPNESA-N 317.175 4.517 30 20 DJED C[C@H](OC(=O)/C=C\c1ccccc1C#N)c1ccc(Cl)cc1 799635950 DBNZTIHPLYCFEM-ZWXCPPHNSA-N 311.768 4.529 30 20 DJED C[C@@]1(c2ccccc2)CCC(=NNc2nccnc2C2CCC2)C1 807994419 RNRRIMWPGAWTFU-HXUWFJFHSA-N 320.440 4.654 30 20 DJED Cc1cccc2cc(C(=O)OCCCC(C)(C)C#N)sc12 808630353 HCQNRTCNUUULIX-UHFFFAOYSA-N 301.411 4.697 30 20 DJED C=CCC(F)(F)C(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 815051550 QWRDCRAUYMIWEC-MRXNPFEDSA-N 321.411 4.859 30 20 DJED CC(=NNc1cc(F)cc(Cl)c1)c1cnn(C(C)(C)C)c1C 853396021 SHYWWDSFEMPVNW-UHFFFAOYSA-N 322.815 4.575 30 20 DJED C=CCC(CC=C)c1nc(-c2ccc(Br)cc2)no1 904717274 PGYNJAPTQBUTPC-UHFFFAOYSA-N 319.202 4.735 30 20 DJED CCCCCCCC(=O)N[C@@H](C)c1ccccc1OC(F)F 914495361 CTEIYSMSWYCFSH-ZDUSSCGKSA-N 313.388 4.826 30 20 DJED CCCOc1ccc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1 917614510 WILAHYDTXFBJMB-UXBLZVDNSA-N 314.356 4.519 30 20 DJED CCC(C#N)(CC)C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 1128401747 SIUBTQULNJUOOS-QGZVFWFLSA-N 312.457 4.536 30 20 DJED CCCC[C@H](CC)CCCN(C)C(=O)c1ccc(CC#N)cc1 1131219952 FGHLLKQNZCHXQF-KRWDZBQOSA-N 314.473 4.821 30 20 DJED CSc1ccc(Nc2snc(Cl)c2C#N)cc1Cl 1162681431 ZVKMCAJPLWRAGA-UHFFFAOYSA-N 316.238 4.787 30 20 DJED Cc1c([C@@H](C)Nc2nc(C#N)c(Cl)s2)oc2ccccc12 1186095188 LSUVCRVBGLDUTN-SECBINFHSA-N 317.801 4.896 30 20 DJED C[C@H]1C[C@H](CCNC(=O)Nc2cccc(C#N)c2)CC(C)(C)C1 1197550618 XQZXFRXXGOPEFW-GJZGRUSLSA-N 313.445 4.532 30 20 DJED CC(C)(C)ON=Cc1csc(COc2ccc(Cl)cc2)n1 1253788236 BHWHKJFVVKMNKU-UHFFFAOYSA-N 324.833 4.525 30 20 DJED CC[C@H](C)CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 1264789464 ARBULBOSTACVKO-AWEZNQCLSA-N 308.381 4.725 30 20 DJED Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1cc(C#N)ccc1F 1360171321 ZHRPAIUHZHGWCM-LJQANCHMSA-N 324.399 4.523 30 20 DJED C[C@H](CCC(=O)O[C@H](C)c1cccc(C#N)c1)c1ccccc1 1435509800 RMZRDEKFXAUDFZ-HZPDHXFCSA-N 307.393 4.746 30 20 DJED COc1ccc(CS[C@@H](C)c2cccc(C#N)c2)c(OC)c1 1459244926 WRXKBGYFSNLEJL-ZDUSSCGKSA-N 313.422 4.570 30 20 DJED C[C@@H]1CCC[C@@H](OCc2cccc(Nc3ncccc3C#N)c2)C1 1472675272 SVVZDTSLRCXIQM-DNVCBOLYSA-N 321.424 4.792 30 20 DJED CC(C)(Cc1ccc(Cl)cc1Cl)Nc1cccc(C#N)n1 1472720397 KOTONUNKUZBMKQ-UHFFFAOYSA-N 320.223 4.693 30 20 DJED CCN(C(=O)c1cccc(C#N)c1)c1cccc(Cl)c1Cl 1523137887 GIXLUOFJPHFJGB-UHFFFAOYSA-N 319.191 4.532 30 20 DJED C[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1523664742 SSVWAEUEOTVIGL-GJZGRUSLSA-N 320.392 4.725 30 20 DJED CC[C@@H](CC#N)OC(=O)CC1c2ccccc2Oc2ccccc21 1525366950 IBJBIVIPDXPLNV-AWEZNQCLSA-N 321.376 4.550 30 20 DJED CN(CCc1cccc2ccccc12)Cc1cccc(C#N)c1F 1559512028 RKDNZQKPTHZXCA-UHFFFAOYSA-N 318.395 4.525 30 20 DJED Cc1csc(NC(=O)N2CC[C@@H](C(C)(C)C)C[C@H]2C)c1C#N 1562766383 BPSIFDJCLPGGNW-CHWSQXEVSA-N 319.474 4.607 30 20 DJED CCCC[C@@H](CC)CCCN(C)C(=O)Cc1ccc(C#N)cc1 1587743464 PMFHHEOTNWSGMQ-QGZVFWFLSA-N 314.473 4.556 30 20 DJED CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(C#N)c(Cl)c1 1597460843 QKGWEMUTQSLYMV-CZUORRHYSA-N 318.848 4.548 30 20 DJED C[C@H](Sc1nccn1-c1cccc(F)c1)c1ccc(C#N)cc1 1643534389 QGAZKZYXIZNMMR-ZDUSSCGKSA-N 323.396 4.736 30 20 DJED COc1cc(Cl)ccc1CSc1ccc(C#N)c(C)c1 1652911923 IQVSJLOODTZKDW-UHFFFAOYSA-N 303.814 4.821 30 20 DJED N#Cc1ccc(CN(CCSC2CCCCC2)C2CC2)cc1 1657911996 HFVSBOPABIDMHY-UHFFFAOYSA-N 314.498 4.589 30 20 DJED COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](C)CCC#N)cc1 1664913656 KOJCMRHHVONVIX-LAUBAEHRSA-N 322.452 4.508 30 20 DJED CC[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 1672794982 VGSKTXWCBBKWFB-INIZCTEOSA-N 319.836 4.692 30 20 DJED Cc1c(NN=C2C[C@@H](C(C)C)c3ccccc32)cccc1C(=O)O 1776088078 NYTDBPXETYSRRW-KRWDZBQOSA-N 322.408 4.653 30 20 DJED CC(C)(C)c1ccccc1/C=C/C(=O)c1cccc(C(=O)O)c1 1776276413 CMCKXDJEZZPEBK-VAWYXSNFSA-N 308.377 4.578 30 20 DJED C[C@H](NCc1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1 35256321 BRHCRQQQQUTHHY-NSHDSACASA-N 305.208 4.716 30 20 DJED CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OC 58732733 CTOLUTRHLYJADE-ONNFQVAWSA-N 316.784 4.643 30 20 DJED Cc1cc(SC(C)(C)C)ccc1NC(=O)N(C)[C@@H](C)CC#N 86285129 NSQCTBSFGMHTBL-ZDUSSCGKSA-N 319.474 4.652 30 20 DJED COc1ccc2oc(CN[C@@H](CCC#N)c3ccccc3)cc2c1 127821491 GPKSSGHZLSPVSQ-IBGZPJMESA-N 320.392 4.576 30 20 DJED C[C@H](NCc1ccccc1C(C)(C)C#N)c1ccc(F)cc1F 181589346 XRUYYBLGYSTXMW-ZDUSSCGKSA-N 314.379 4.617 30 20 DJED CCOc1ccccc1[C@@H](CC(C)C)NCc1cccc(C#N)c1 236986855 ZSLCWXAGKGWMIE-HXUWFJFHSA-N 322.452 4.834 30 20 DJED C=CCC[C@H](Nc1cccc(NC(=O)C(C)C)c1)c1ccco1 428434619 AHPXZEISQDSLBY-KRWDZBQOSA-N 312.413 4.994 30 20 DJED N#CCCC[C@@H](NCc1nc(C2CC2)cs1)c1ccccc1 433019934 QRLGTWLWKMHLIN-MRXNPFEDSA-N 311.454 4.545 30 20 DJED N#C[C@H]1CC[C@H](Nc2cccc(COc3cccc(F)c3)c2)C1 442861636 UPXGDJIQFIRHHK-KSSFIOAISA-N 310.372 4.509 30 20 DJED N#C[C@H]1CCC[C@@H](Nc2cccc(COc3cccc(F)c3)c2)C1 447591488 IHQTZAFLJIBXQG-MAUKXSAKSA-N 324.399 4.899 30 20 DJED N#CCCCNC1(c2cccc(Br)c2)CCCCC1 477631441 MBPAPBAMSYQCTD-UHFFFAOYSA-N 321.262 4.502 30 20 DJED CCC(CC)N(CC(C)C)C(=O)Nc1cc(C#N)ccc1C 483554786 FVDDCHMMKJAVPZ-UHFFFAOYSA-N 301.434 4.545 30 20 DJED C=CCSc1ccccc1C(=O)Nc1ncc(Cl)cc1C 485088437 IWKIZYGAQNZUCG-UHFFFAOYSA-N 318.829 4.574 30 20 DJED N#Cc1c(F)cccc1CSc1cccc(Cl)c1C#N 488259722 VEINMRXDMAFULF-UHFFFAOYSA-N 302.761 4.515 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1cc(-c2ccccc2)cnc1C 488922917 UXBCMCKINPHJAU-GOSISDBHSA-N 321.424 4.629 30 20 DJED N#Cc1cc(F)ccc1CN(Cc1ccc(Cl)cc1)C1CC1 489618413 DEWUOLZRCFULAK-UHFFFAOYSA-N 314.791 4.515 30 20 DJED C[C@H]1CCC[C@H](CC(=O)Nc2cccc(OCCCC#N)c2)C1 498774085 DNZLNNXECBFJCU-HOTGVXAUSA-N 314.429 4.524 30 20 DJED N#CCCCOc1cccc(N[C@@H]2CCC[C@H]2CCCF)c1 510737622 SGBYLBWUQWCAOU-MAUKXSAKSA-N 304.409 4.699 30 20 DJED C=CC[C@@H](C)NC(=O)N[C@@H](c1oc2ccccc2c1C)C(C)C 522664811 DKTDKPLVUVWFCK-CXAGYDPISA-N 314.429 4.702 30 20 DJED N#Cc1cc(C(=O)N(c2ccccc2)C2CCCC2)ccc1Cl 541625091 FZFRNPKVOOOZBP-UHFFFAOYSA-N 324.811 4.801 30 20 DJED N#Cc1ccc(-c2nc(-c3cccc(Cl)c3)no2)cc1Cl 548298835 FIMZINAPALVQCD-UHFFFAOYSA-N 316.147 4.582 30 20 DJED CCCCCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H](C)CCC 556396509 ZFOCOEXQVBWHBX-AWEZNQCLSA-N 304.409 4.518 30 20 DJED CC(C)Oc1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 572742636 GGISVHLLJVXGEE-INIZCTEOSA-N 320.436 4.685 30 20 DJED N#CCCC1CCN(Cc2ccc(Oc3ccccc3)o2)CC1 576520008 VZMSDNCMIUNUIK-UHFFFAOYSA-N 310.397 4.588 30 20 DJED N#CCCCCCC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 588855490 KLVBJJWMYJFPBE-LJQANCHMSA-N 310.441 4.529 30 20 DJED C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 657973996 WAMIDYKEQWVQDN-XCLNPWKQSA-N 317.448 4.770 30 20 DJED CCC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1cccs1 726425684 BMODXIBWHXEPRK-UHFFFAOYSA-N 323.343 4.865 30 20 DJED CCC(=NNc1cnc2ccccc2n1)c1ccc(Cl)cc1 727258502 MRAXMOVHRXBGTK-UHFFFAOYSA-N 310.788 4.509 30 20 DJED FC(F)(F)COc1ccc(NN=C/C=C\c2ccccc2)cc1 727262462 RDFJPWGWKCUYNI-PRZHPYSASA-N 320.314 4.739 30 20 DJED N#Cc1ccc(/C=C2/CSc3c(Cl)cccc3C2=O)cc1 731939388 OMVNUKJXCRAHSG-JYRVWZFOSA-N 311.793 4.584 30 20 DJED C#Cc1cccc(NC(=S)Nc2ccccc2OC(C)(C)C)c1 734386418 SCIRIGMHZUIYCN-UHFFFAOYSA-N 324.449 4.654 30 20 DJED C#Cc1cccc(NC(=O)c2cccc(Nc3ccccc3)c2)c1 735650091 MUDAVXXWTXCIOB-UHFFFAOYSA-N 312.372 4.664 30 20 DJED C=CCN(C(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(C)C 741532508 DUQSNTZKAGSQSM-ZDUSSCGKSA-N 313.363 4.622 30 20 DJED O=C(/C=C\c1ccc(Cl)nc1)c1cccc(C(F)(F)F)c1 748994097 FPIZLEGSHQZUAM-XQRVVYSFSA-N 311.690 4.650 30 20 DJED C=CCC(CC=C)C(=O)OCc1nc(-c2ccccc2)cs1 758520554 XSDWUUXRURWGIG-UHFFFAOYSA-N 313.422 4.622 30 20 DJED C#CCOc1ccc([C@@H](C)N[C@@H](c2cccs2)C2CC2)cc1 764741046 CLKGVUPRFVIOQK-AUUYWEPGSA-N 311.450 4.562 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2Nc1ccc(OC(F)F)cc1 776802274 LRHABQNIVZFNOJ-QGZVFWFLSA-N 314.335 4.649 30 20 DJED C#CCCCCCC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 780626339 PWWJJAIJDWREOJ-FQEVSTJZSA-N 322.452 4.805 30 20 DJED Clc1ccc(NN=Cc2scnc2C2CC2)c(Cl)c1 782160399 XSLKZYMHYFXPPA-UHFFFAOYSA-N 312.225 4.773 30 20 DJED O=C(/C=C/c1ccc2cnccc2c1)c1ccc(F)c(Cl)c1 782330165 PRLYSHSUIAMTJX-QHHAFSJGSA-N 311.743 4.923 30 20 DJED C=CCC[C@H](NCc1cccc(O[C@@H](C#N)CC)c1)c1ccco1 796817593 QUQPQJGLARGJSQ-MJGOQNOKSA-N 324.424 4.758 30 20 DJED CC(C)c1nc(C(=O)/C=C/c2ncc(C(C)(C)C)s2)cs1 812243455 MQOUYZLFGHXGSS-VOTSOKGWSA-N 320.483 4.917 30 20 DJED C=CC[C@@H](NC/C(C)=C/c1ccccc1COC)c1ccncc1 814293081 DORSOCQKFXKATN-PVGBUVFQSA-N 322.452 4.538 30 20 DJED CC(=NNc1cc(C)ccc1C)c1[nH]c(-c2ccccc2)nc1C 915112022 TYWGYCRYKWELQV-UHFFFAOYSA-N 318.424 4.838 30 20 DJED Cc1csc(C2(NCCCCC3(C#N)CCC3)CCCC2)n1 930011136 XMPCJFQEBIHDEZ-UHFFFAOYSA-N 317.502 4.675 30 20 DJED Cc1cc(C)c(/C=C\CN[C@H](C)c2ccc(C#N)cc2)c(C)c1 1199821943 CPEWQIRHMSNOHY-OOFWQKGWSA-N 304.437 4.848 30 20 DJED CC(C)(C)c1ccc(CCN[C@H]2CCc3cc(C#N)ccc32)cc1 1205650365 KMTHTYUCENHLMR-NRFANRHFSA-N 318.464 4.675 30 20 DJED N#Cc1ccc(-c2nnc(CCCCCc3cccs3)o2)cc1 1257872775 QMXHERLJJAYINH-UHFFFAOYSA-N 323.421 4.625 30 20 DJED CCc1ccc([C@@H]2CCCN(Cc3ccc(C#N)cc3F)C2)cc1 1308748752 MHRGMWYUUZBMJM-LJQANCHMSA-N 322.427 4.639 30 20 DJED N#Cc1ccc(F)cc1CSCc1ccc2ncccc2c1 1320625413 LUDLAUMOTWHOHQ-UHFFFAOYSA-N 308.381 4.679 30 20 DJED CC(C)[C@H](CCc1ccccc1)Nc1ccc(OCC#N)cc1 1341858191 WDPDSMJIFKEQMF-FQEVSTJZSA-N 308.425 4.658 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)N(CC)c1ccc(C#N)cc1 1435248059 ICCHGPRUOACQON-GOSISDBHSA-N 312.457 4.908 30 20 DJED CCCCc1ccc(CC(=O)N(CCC#N)C(C)(C)CC)cc1 1435975308 HRNZLIIBUZWGBT-UHFFFAOYSA-N 314.473 4.503 30 20 DJED Cc1cc(C#N)ccc1CN1C[C@H](C)CC[C@@H]1c1ccccc1 1473465109 PJLZJQFZXLBKSC-IIBYNOLFSA-N 304.437 4.840 30 20 DJED CCNc1ccc(C#N)cc1NC(=O)C[C@H](CC)c1ccccc1 1596040229 HPHMAUHHUCOOSA-INIZCTEOSA-N 321.424 4.512 30 20 DJED CC(C)Cc1ccccc1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 1598327499 OIYHZNMKFQAAKI-MRXNPFEDSA-N 320.436 4.590 30 20 DJED C[C@H]1C[C@H](C)CC[C@@H]1Nc1c(C#N)cnc2c(Cl)cccc12 1611987956 ZTESGHIHXQBUGK-WQGACYEGSA-N 313.832 4.996 30 20 DJED CC(C)[C@H]1CC[C@H](C(=O)N(c2ccccc2C#N)C2CCC2)CC1 1617594290 HGJNOYQIMBNTRT-QAQDUYKDSA-N 324.468 4.906 30 20 DJED N#Cc1c(Cl)nsc1N[C@@H]1CCC[C@H](c2ccccc2)C1 1639883236 TYHMNHYLBQZGMG-QWHCGFSZSA-N 317.845 4.806 30 20 DJED Cc1c(Cl)cnc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1C#N 1651327014 PBSUWONJBOXKKJ-HZSPNIEDSA-N 303.837 4.686 30 20 DJED CC(C)CN(CCC#N)Cc1cccc(COc2ccccc2)c1 1652054269 XQUFWXGHVLJOEG-UHFFFAOYSA-N 322.452 4.637 30 20 DJED CCc1nc(SCc2ccc(C#N)cc2Cl)sc1C 1652082454 PNTKUBYJSPHGFJ-UHFFFAOYSA-N 308.859 4.831 30 20 DJED N#Cc1cccc(CN2Cc3ccccc3C[C@H]2c2ccccc2)c1 1652944116 JBFXPPCEODZGKX-QHCPKHFHSA-N 324.427 4.858 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1ccc(OC)cc1CC 1657467657 NUCAZDLBMDTCTM-UHFFFAOYSA-N 322.452 4.541 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1ccccc1SC 43319159 NTYAMGBJJSANDS-UHFFFAOYSA-N 318.467 4.690 30 20 DJED C[C@@H](Nc1snc(Cl)c1C#N)c1ccc(Cl)s1 48558787 NAVNHCVKQCMBQS-RXMQYKEDSA-N 304.227 4.556 30 20 DJED C=CCN(CCc1ccccc1)Cc1ncc(-c2ccccc2)o1 65959821 BHERJAZCBBZABS-UHFFFAOYSA-N 318.420 4.572 30 20 DJED Cc1ccc(C(=O)/C=C\c2cc(Br)cs2)cc1 96603044 SXLAYHIHSUBBSD-SREVYHEPSA-N 307.212 4.715 30 20 DJED C[C@H](c1cccc(C(F)(F)F)c1)N(CCCCC#N)C1CC1 102397701 UZDPPCPQKWVWSR-CYBMUJFWSA-N 310.363 4.925 30 20 DJED Cc1ccc(C)c(NC(=O)CS[C@@H](C)c2ccc(C#N)cc2)c1 118445582 ODVGMYVCOVPMDP-HNNXBMFYSA-N 324.449 4.608 30 20 DJED C=CCCCCCN(C)C(=O)c1cccc(Oc2ccncc2)c1 156783702 ZFCDXXRKSBBWIV-UHFFFAOYSA-N 324.424 4.692 30 20 DJED C=CCC(CC=C)C(=O)N(Cc1cccnc1)c1ccc(F)cc1 160159397 BDPGZSJYAQVADN-UHFFFAOYSA-N 324.399 4.522 30 20 DJED CC[C@@H](C)Oc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)cc1 177555431 YFGUFFADJUOYGK-HZPDHXFCSA-N 324.424 4.767 30 20 DJED N#CCCCCN[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 180429197 GQSOVAFQSHTTJG-SFHVURJKSA-N 316.807 4.852 30 20 DJED CCOc1ccc(Oc2ccccc2NC(=O)CCCC#N)cc1 291218203 RYCZBGPXGLPMAQ-UHFFFAOYSA-N 324.380 4.510 30 20 DJED C[C@H](/N=C(/O)[C@H]1CCc2ccccc21)c1ccc2c(c1)CC(O)=N2 329075173 PMDJWGQIIHAUFZ-SJCJKPOMSA-N 320.392 4.578 30 20 DJED N=C(O)[C@@H]1CCC[C@H](/C(O)=N/C[C@@H]2C[C@H]2C2CCCCC2)C1 329362717 ZBVFRVSFMMBFFQ-UGUYLWEFSA-N 306.450 4.501 30 20 DJED CCN(Cc1ccc(CC#N)cc1)c1cccc2ccccc12 399137352 ROQUQFZLKFWURQ-UHFFFAOYSA-N 300.405 4.932 30 20 DJED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cnn(C(C)C)c1C 414302658 MZEZTMZBEKRDLU-LPHOPBHVSA-N 311.473 4.610 30 20 DJED C=CCC[C@H](NC(=O)c1ccccc1SC)c1ccccc1 435300406 GGVKQHVLDRDAIS-KRWDZBQOSA-N 311.450 4.846 30 20 DJED C[C@@H](Sc1nc2cc(F)c(F)cc2[nH]1)c1cccc(C#N)c1 442917700 HNUHIPYOBPKQLG-SECBINFHSA-N 315.348 4.566 30 20 DJED Cc1ccc2sc(C(=O)N(CC#N)c3ccccc3)c(C)c2c1 447346327 VYHULCJALKWSLL-UHFFFAOYSA-N 320.417 4.689 30 20 DJED CC(C)CC(=O)Nc1ccc(NC2CCC(C)(C#N)CC2)cc1 449041966 PNWSFKVIRMIYFB-UHFFFAOYSA-N 313.445 4.556 30 20 DJED Cc1cc(Sc2ccccc2)ccc1NC(=O)CCCC#N 461925169 BBPHTCXJIUPZDY-UHFFFAOYSA-N 310.422 4.779 30 20 DJED C=CCOc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1 462661578 LMTREBGUJRUPLW-UHFFFAOYSA-N 321.376 4.794 30 20 DJED CC(C)[C@@H](c1ccccc1)N(C)C(=O)[C@@H](C)c1cccc(C#N)c1 463817242 KLSHHWCXIKGSKI-JXFKEZNVSA-N 320.436 4.517 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(C)ccc1C 471138232 WHGSAMJCQOOKKU-UHFFFAOYSA-N 308.425 4.914 30 20 DJED CC[C@H](Cc1ccc(Cl)cc1Cl)N[C@@H]1CC[C@H](C#N)C1 471611828 RKHIBOGBCYEGGW-NILFDRSVSA-N 311.256 4.596 30 20 DJED C[C@H](N[C@@H](C)c1cc2cccc(F)c2o1)c1ccc(C#N)cc1 474102595 BLHJKKNBOGQMBE-STQMWFEESA-N 308.356 4.855 30 20 DJED C[C@@H](Cc1ccccc1C(F)(F)F)Nc1ccc(CC#N)cc1 482251986 HESXAPVNOGQQKW-ZDUSSCGKSA-N 318.342 4.815 30 20 DJED Cc1cc(/C=C/c2ccc(C#N)cn2)ccc1Oc1cccnc1 487184034 HPHQUYOHBYQHAZ-QPJJXVBHSA-N 313.360 4.619 30 20 DJED CC(C)(C#N)CCCN[C@H](c1c[nH]c2ccccc12)C(F)(F)F 513147366 AUTVPYHXMFIVRH-OAHLLOKOSA-N 323.362 4.691 30 20 DJED CC(C)[C@@H](CC(=O)N(CCC#N)CC(C)(C)C)c1ccccc1 524655476 UOMLPUWBBLAIKD-GOSISDBHSA-N 314.473 4.605 30 20 DJED N#CC1(NC(=O)c2cc3c(ccc4ccccc43)o2)CCCCC1 528324594 DTGFKCMDAPXOIM-UHFFFAOYSA-N 318.376 4.542 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)CC2(c3ccccc3)CC2)n1 528967003 RBWFBWSJGHVEPN-OAHLLOKOSA-N 324.449 4.565 30 20 DJED CSc1ccc(C)c(NC(=O)N(CCC#N)CCC(C)C)c1 539461410 PHEMWONEHFCONW-UHFFFAOYSA-N 319.474 4.511 30 20 DJED C[C@H](C#N)CNCc1ccccc1Oc1ccc(F)cc1Cl 545192253 PHZRBQKDBFGGEC-GFCCVEGCSA-N 318.779 4.521 30 20 DJED C=CCOc1ccc(CN[C@H](CC)CC(F)(F)F)cc1Cl 546881038 ZHNJFEWCFXFYJW-GFCCVEGCSA-N 321.770 4.725 30 20 DJED C=CCC[C@H](NCc1ccccc1OCC1CC1)c1ccco1 570189403 QTCGTCMROPKACC-SFHVURJKSA-N 311.425 4.866 30 20 DJED CC(C)(CCC#N)CN(Cc1ccccc1Cl)CC1CC1 570319256 OERSPFMCOIQTAH-UHFFFAOYSA-N 304.865 4.882 30 20 DJED CC(C)(C1=CCCCC1)c1noc(-c2cccc(CC#N)c2)n1 583672981 FEEPGNQPLFBTGH-UHFFFAOYSA-N 307.397 4.581 30 20 DJED C=CCCN(C)Cc1cn(-c2ccccc2)nc1-c1cccs1 606896292 DFRBHMLWKPKOEJ-UHFFFAOYSA-N 323.465 4.609 30 20 DJED C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H]1c1ccc(C)cc1 685552023 GHSZYENYXWSWKU-FUHWJXTLSA-N 324.472 4.628 30 20 DJED CSc1ccc(/C=C/C(=O)c2cn(C)c3ccccc23)cc1 726740998 RPGJXAFQRHCTEU-FMIVXFBMSA-N 307.418 4.796 30 20 DJED COc1ccc(OC(F)F)c(/C=C\C(=O)c2ccc(C)cc2)c1 732927094 YCCCIEGMHNYAJV-CLFYSBASSA-N 318.319 4.501 30 20 DJED O=C1/C(=C/c2cccc(F)c2)CCOc2c(Cl)cccc21 733748874 MAFHVAWRPRWUEY-FMIVXFBMSA-N 302.732 4.528 30 20 DJED FC(F)(F)c1ccccc1NN=Cc1nccc2ccccc12 740760621 YWEREYVDUORCQN-UHFFFAOYSA-N 315.298 4.700 30 20 DJED C=CC[C@H](NC(=O)N(CC(C)C)C(CC)CC)c1ccncc1 748637228 YTRKQFFJPYNWAI-SFHVURJKSA-N 317.477 4.555 30 20 DJED CC[C@H](C)c1ccccc1OC(=O)c1c(F)cc(C#N)cc1F 755109567 SEJZSYNGAVUUQW-NSHDSACASA-N 315.319 4.569 30 20 DJED CCc1oc2ccccc2c1C=NOCc1cccc(Cl)n1 760434156 WFPDVALGDJRLRX-UHFFFAOYSA-N 314.772 4.594 30 20 DJED O=C1C(=Cc2c(Cl)oc3ccccc23)C(=O)c2ccccc21 761199185 DVZXKYJXEURGIO-UHFFFAOYSA-N 308.720 4.549 30 20 DJED CC(C)(C)c1cnc(/C=C\C(=O)c2ccc(O)c(Cl)c2)s1 790609525 LWRMXATZJUGKIJ-SREVYHEPSA-N 321.829 4.696 30 20 DJED CC(C)O[C@H](C=NNc1cc(F)c(F)cc1F)c1ccccc1 793012333 JMLZJPOIZKQWLN-QGZVFWFLSA-N 322.330 4.668 30 20 DJED CCCCCCCCCC(=O)N1CC[C@@H](c2ccccn2)C1 798711320 RWTXGLAAHMSNSM-QGZVFWFLSA-N 302.462 4.538 30 20 DJED N#Cc1sc(N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)nc1Cl 804681294 IKDXYRCPIMHIGV-ZYHUDNBSSA-N 321.808 4.555 30 20 DJED Cc1cc(C(=O)/C=C\c2ccc(Cl)c(C(F)(F)F)c2)no1 806555441 DFJDRJZJENBPQZ-HYXAFXHYSA-N 315.678 4.551 30 20 DJED Clc1ccc(C=NOCc2nc3ccccc3s2)cc1 854280901 IIDLANWDPYETPZ-UHFFFAOYSA-N 302.786 4.500 30 20 DJED Cc1nn(-c2ccccc2)c(C)c1C=NNc1ccc(Cl)cc1 916247020 VMACFUSTUDRAKT-UHFFFAOYSA-N 324.815 4.589 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1ccc2c(c1)-c1ccccc1C2 1126998175 XNFXFWCWVCGCGQ-UHFFFAOYSA-N 324.383 4.690 30 20 DJED CC(C)O[C@H](COc1cc(Cl)ccc1C#N)c1ccccc1 1165851514 UYHJBCXKBWHLOJ-GOSISDBHSA-N 315.800 4.757 30 20 DJED CCCN(CCC1(C#N)CCCCC1)[C@H]1C[C@H](OCC)C1(C)C 1167443351 SMJVPYWLMVEMPU-ROUUACIJSA-N 320.521 4.766 30 20 DJED N#Cc1ccc(CN[C@@H]2CCC[C@H](c3ccccc3)C2)c(F)c1 1308743069 YVKJMDOMSCJHGU-PKOBYXMFSA-N 308.400 4.513 30 20 DJED N#Cc1ccc(-c2nnc(-c3cc4c(F)cccc4s3)o2)cc1 1328347567 HATUKYWHOFAIKP-UHFFFAOYSA-N 321.336 4.629 30 20 DJED Cc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1C(F)(F)F 1351882151 JMJOHHAJTBNMAM-UHFFFAOYSA-N 324.346 4.817 30 20 DJED CCC(CC)[C@H](NCc1cc(C#N)ccc1OC)c1ccccc1 1459830283 IXCQKQHOVFMWLW-NRFANRHFSA-N 322.452 4.834 30 20 DJED CC(C)c1ccc2c(c1)CN([C@@H](C)c1cccc(C#N)c1)CC2 1460360700 FZVKACGUQIVFGJ-INIZCTEOSA-N 304.437 4.801 30 20 DJED COc1ccc(C#N)cc1NCc1ccc(-c2cccs2)cc1 1461566298 XMZCHERHUWCJRH-UHFFFAOYSA-N 320.417 4.907 30 20 DJED CCC[C@H]1CCCC[C@@H]1CNc1ncc(Cl)c(C)c1C#N 1472806174 LEDVHWVREYNZAN-UONOGXRCSA-N 305.853 4.934 30 20 DJED CC1(C)C[C@@]1(C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 1525219025 LPDLEVYHYDJDQD-IBGZPJMESA-N 324.811 4.518 30 20 DJED Cc1ccc(C#N)cc1C(=O)O[C@H](C)c1ccc2c(c1)CCCC2 1526463096 UTOIOPGEDSZGSH-OAHLLOKOSA-N 319.404 4.664 30 20 DJED CCC[C@H](CC1CCCC1)C(=O)Nc1cc(C#N)c(F)cc1F 1535439739 VEJMNUMWMQRVPE-CYBMUJFWSA-N 320.383 4.772 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)c1cncc2ccccc12 1535784585 JYHDABDBDVVDIT-UHFFFAOYSA-N 323.355 4.512 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)c1ccc2cccnc2c1 1583717132 KTCBSLQLMTWBMZ-UHFFFAOYSA-N 323.355 4.512 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C 1623179670 QVZWJAXUMRBGQB-DOTOQJQBSA-N 313.445 4.545 30 20 DJED CCN(Cc1ccc(F)c(Cl)c1)[C@@H](C)c1ccc(C#N)cc1 1641565033 KNFKRQMBADEMAK-ZDUSSCGKSA-N 316.807 4.934 30 20 DJED Cc1ccccc1CCCN(Cc1ccc(C#N)cc1)CC(C)C 1644446142 WIHHJPCRPSZBHT-UHFFFAOYSA-N 320.480 4.958 30 20 DJED N#Cc1c(F)cccc1SCc1ncc(Cl)cc1Cl 1652010703 MHKMEXGZTSJBMZ-UHFFFAOYSA-N 313.184 4.691 30 20 DJED Cc1ccc(OC(F)F)c(CSc2ccc(C#N)cc2)c1 1652612669 KOBHDGZBUZNXMY-UHFFFAOYSA-N 305.349 4.760 30 20 DJED CCc1ccc([C@@H]2C[C@H](C)CCN2Cc2cccc(C#N)c2)o1 1653465819 NCKHXBZRUFERDG-BEFAXECRSA-N 308.425 4.687 30 20 DJED N#Cc1cc(Cl)ccc1CN1CC[C@H]1c1ccc(Cl)cc1 1654428163 SVYXGIHGQCOXJG-KRWDZBQOSA-N 317.219 4.812 30 20 DJED N#C[C@H](Sc1nccn1-c1cccc(F)c1)C1CCCCC1 1656120141 ZREDOWOSLUZYKS-INIZCTEOSA-N 315.417 4.576 30 20 DJED C[C@H](CCC#N)CN1CCc2c(Cl)cc(Cl)cc2[C@H]1C 1663672060 MINFWVAYLRNSQW-VXGBXAGGSA-N 311.256 4.852 30 20 DJED O=C(O)c1cccc(NN=Cc2cccc3cc(Cl)ccc23)c1 1776038615 UKIXUSVKDSLYML-UHFFFAOYSA-N 324.767 4.637 30 20 DJED Cc1ccc(C(=O)O)cc1C(=O)/C=C/c1ccc(CC(C)C)cc1 1777436072 DEZPFJKLKQKEBQ-PKNBQFBNSA-N 322.404 4.788 30 20 DJED C[C@H]1CCc2c(sc(NC(=O)CCC3CCCC3)c2C#N)C1 6202313 IGOSGRYHZLXNAK-LBPRGKRZSA-N 316.470 4.653 30 20 DJED Cc1c(C(=O)Nc2cccc(C#N)c2)oc2c(Cl)cccc12 6287445 YHLTWYWVOYVXOS-UHFFFAOYSA-N 310.740 4.519 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(Cl)cc2)cc1Cl 34799764 QZSCHWOJPUBHJQ-WAPJZHGLSA-N 307.176 4.898 30 20 DJED CCCC(CCC)SCCC(=O)Nc1cccc(C#N)c1 64049236 XSLLYRSNTKZRNX-UHFFFAOYSA-N 304.459 4.589 30 20 DJED CCN(C(=O)Nc1ccc(C)c(C)c1)[C@@H](C)c1ccc(C#N)cc1 118787273 ANUQJDVWYUXOQL-INIZCTEOSA-N 321.424 4.790 30 20 DJED N#Cc1ccc(OCc2ccccc2Br)cc1Cl 125122005 OWYSOUOVORFBOL-UHFFFAOYSA-N 322.589 4.553 30 20 DJED CCCCCCCC(=O)N[C@H](c1ccccc1)c1ccncc1 127795294 MGKLRHDRSOKDHK-HXUWFJFHSA-N 310.441 4.648 30 20 DJED N#CCCCCN[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 153567907 QLOWCMGRKIDIPX-ZBFHGGJFSA-N 310.363 4.625 30 20 DJED CC[C@@H](S[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 156404700 REIBIRKXLDXAQL-KBXCAEBGSA-N 324.449 4.770 30 20 DJED CC(C)(CCC#N)CN[C@@H]1CCCc2cc(OC(F)F)ccc21 174324073 SHZMIEZZVQBJIK-MRXNPFEDSA-N 322.399 4.585 30 20 DJED CCCCCCC[S@@](=O)Cc1ccccc1OC(F)F 178047671 OPXUELIPHXATOS-HXUWFJFHSA-N 304.402 4.507 30 20 DJED Cc1ccc(OCc2nc(CSCCCC#N)cs2)cc1 190905013 SOHQJUCXXUMKAU-UHFFFAOYSA-N 318.467 4.568 30 20 DJED CC1(C)CCC[C@H](Nc2ccc(C#N)c(Br)c2)C1 228192565 YORDVKYBQQOLCH-ZDUSSCGKSA-N 307.235 4.701 30 20 DJED C=C(C)[C@H](CC(=O)Nc1ccccc1-c1ccccc1)OCC 270114142 KGANBVVHYAQLLW-IBGZPJMESA-N 309.409 4.663 30 20 DJED Cc1sccc1C(=O)Nc1ccccc1SC[C@H](C)C#N 294556687 JCNXOLYRZDOMLT-LLVKDONJSA-N 316.451 4.561 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1CCC[C@](C)(c2ccccc2)C1 303677637 IEJWLIODJSLIBR-UWJYYQICSA-N 304.437 4.673 30 20 DJED C[C@@H](Nc1ccc(C#N)cc1F)c1ccccc1C(F)(F)F 316858127 VFHGNAIRCSZPHN-SNVBAGLBSA-N 308.278 4.889 30 20 DJED O/C(=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cc2ccccc2c(O)n1 329035895 REMIYYZAMVDOLN-SQWLQELKSA-N 324.424 4.604 30 20 DJED OC1=N[C@H](C/C(O)=N/[C@@H](c2ccc(F)cc2)C2CCC2)CCC1 329328322 KJUCVBUPVJLWNY-MAUKXSAKSA-N 318.392 4.523 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCSc2ccccc21 341760168 JLIIJKKVTXOPTO-RTBURBONSA-N 320.461 4.762 30 20 DJED C=C(C)CN(CC)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl 430264174 QXMDLTJYHXIKJQ-LLVKDONJSA-N 315.244 4.662 30 20 DJED CC(C)(CN[C@H]1CC[C@H](C#N)C1)c1c(Cl)cccc1Cl 442874789 NVMBTINLGAVIEM-RYUDHWBXSA-N 311.256 4.553 30 20 DJED C[C@@H](Sc1ncccc1Br)c1cccc(C#N)c1 442914296 MANBLSRAWWRBPY-SNVBAGLBSA-N 319.227 4.569 30 20 DJED C=CCOCCCC(=O)Nc1ccc2c(c1)oc1ccccc12 463396730 DKMNCJGPFHWXDT-UHFFFAOYSA-N 309.365 4.507 30 20 DJED C=C[C@@H](C)NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 465144460 LIDYIAYPPHUZGK-GFCCVEGCSA-N 319.326 4.677 30 20 DJED CC[C@H](Cc1ccc(Cl)cc1Cl)N[C@H]1CC[C@@H](C#N)C1 471611825 RKHIBOGBCYEGGW-DFBGVHRSSA-N 311.256 4.596 30 20 DJED C=CCCCCNC(=O)c1occc1CSc1ccccc1 471680471 UMMPUVMDWMJZLY-UHFFFAOYSA-N 315.438 4.658 30 20 DJED COc1ccc([C@@H]2CCCCCN2CCCC(C)(C)C#N)cc1 471721860 ZLIPPAIJMMPSDG-IBGZPJMESA-N 314.473 4.942 30 20 DJED CCN(Cc1c(F)cccc1Cl)[C@H](C)c1ccc(C#N)cc1 497593982 NLJBMDSOJSVGKS-CYBMUJFWSA-N 316.807 4.934 30 20 DJED C[C@@H](Nc1ncccc1C#N)c1ccc(Oc2ccccc2)cc1 507030398 SRXUDPHBVYUXBH-OAHLLOKOSA-N 315.376 4.919 30 20 DJED C=CCCCS[C@H](C)C(=O)N[C@@H](CCC)c1ccccc1 522756708 DEFFMOOXEZJQCG-WBVHZDCISA-N 305.487 4.732 30 20 DJED Cc1ccc(C)c(Sc2ccc(NC(=O)[C@@H](C)C#N)cc2)c1 522984476 WHSBTSZLZFIBTL-AWEZNQCLSA-N 310.422 4.553 30 20 DJED C[C@H](Cc1cccs1)N(CCC#N)Cc1ccc(Cl)cc1 533035589 ZXRGCVWRIZATTO-CQSZACIVSA-N 318.873 4.748 30 20 DJED C=CCC[C@@H](Nc1cccc(OCc2cccnc2)c1)C1CC1 538495041 ISYKYYOYHAVPBT-HXUWFJFHSA-N 308.425 4.817 30 20 DJED N#CCCCOc1cccc(N[C@H](Cc2ccccc2)C2CC2)c1 539627035 KHYPKGXELLRMNL-OAQYLSRUSA-N 320.436 4.802 30 20 DJED C[C@H](N[C@@H](CC(F)(F)F)c1ccccc1)c1cccc(C#N)c1 540596525 OYIQRGYSDXUYNS-GUYCJALGSA-N 318.342 4.903 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCc2c(Cl)cccc21 561132725 SFWCXIVKHPTHDR-UXHICEINSA-N 322.839 4.866 30 20 DJED C=CCC(F)(F)c1nc(C(C)(C)c2ccccc2Cl)no1 565905878 DGCFTNLMYLXSDA-UHFFFAOYSA-N 312.747 4.717 30 20 DJED CC(C)Cc1ccc(CCC(=O)Nc2ccccc2CC#N)cc1 573480262 VYNKXZLOJHNMRC-UHFFFAOYSA-N 320.436 4.522 30 20 DJED Cc1cc(-c2ncccc2NC(=O)CCCCCC#N)cs1 588759297 APRIBEHUWHUBQF-UHFFFAOYSA-N 313.426 4.531 30 20 DJED CC(F)(F)c1ccccc1NC(=O)CC1(C#N)CCCCC1 597718955 LRUVGMUEHWPXGE-UHFFFAOYSA-N 306.356 4.601 30 20 DJED CN(Cc1cc(Cl)cc(Cl)c1)Cc1cc(C#N)ccc1F 603854305 CBWGFPSSFJDNEB-UHFFFAOYSA-N 323.198 4.636 30 20 DJED C=CC[C@H](C)NC(=O)Nc1ccc(S[C@H](C)CC)cc1C 604906609 OOTOWTRXZILRSQ-UONOGXRCSA-N 306.475 4.972 30 20 DJED Cn1ccc2ccc(N[C@H]3CCCc4cc(C#N)ccc43)cc21 615473255 GLNGOUKDKJELNH-IBGZPJMESA-N 301.393 4.539 30 20 DJED CC(CSC(C)(C)C)=NNc1cccc(Br)c1 729635317 NLVFUOPVXZGWDI-UHFFFAOYSA-N 315.280 4.769 30 20 DJED O=C(/C=C/c1csc2ccccc12)c1csc(C(=O)O)c1 730148511 HPNAQSOSYBILIC-AATRIKPKSA-N 314.387 4.557 30 20 DJED COc1cc(/C=C2/Cc3ccc(C)cc3C2=O)ccc1SC 730948505 GBDJOUHZKQQCNV-DHDCSXOGSA-N 310.418 4.548 30 20 DJED O=C(/C=C\c1ccnc2ccccc12)c1ccc(F)c(Cl)c1 731835530 HWNQSRSESSDRLS-VURMDHGXSA-N 311.743 4.923 30 20 DJED Cc1cc(F)ccc1-c1ccc(C=NOCc2ccccc2)o1 734299361 VRBJYYHJKWCNNO-UHFFFAOYSA-N 309.340 4.945 30 20 DJED CCc1ccc(C(C)=NNc2ccc(C(F)(F)F)cn2)s1 744661767 JPZSMBDKJKLMCM-UHFFFAOYSA-N 313.348 4.560 30 20 DJED CCCCCCCCN(C)[C@@H](C)c1ccc([S@](C)=O)cc1 747842321 CUYJMVPNFAPYRZ-KKSFZXQISA-N 309.519 4.777 30 20 DJED Cc1ccc(C(=O)/C=C/c2sccc2Br)s1 764914584 GEYDOBBEHSEJHW-HWKANZROSA-N 313.241 4.777 30 20 DJED CN(Cc1ccccc1)c1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1 765922035 WUVMGMHCFZVOHP-ICSRJNTNSA-N 319.452 4.817 30 20 DJED C=CC[C@@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1ccncc1 766018148 GEHWGINVWOSSSE-SJKOYZFVSA-N 304.796 4.842 30 20 DJED CC(=NNc1nccnc1C(C)C)c1ccc(-c2ccccc2)o1 773092899 HENSMWVINTWKSO-UHFFFAOYSA-N 320.396 4.696 30 20 DJED CC1(C)Oc2ccc(N[C@H]3CCCc4cc(C#N)ccc43)cc2O1 777636604 XUXPUSJDOLRBOY-KRWDZBQOSA-N 320.392 4.555 30 20 DJED C[C@@]1(c2ccccc2)CC[C@@H](Nc2ccc(F)cc2OCC#N)C1 783661151 OIRQURCORNNQPK-YLJYHZDGSA-N 324.399 4.650 30 20 DJED O=C(/C=C/c1ccc(-c2ccccc2F)o1)c1ccnc(F)c1 794719507 LIJBEYQCRKLEDZ-FNORWQNLSA-N 311.287 4.516 30 20 DJED C#CCN(C)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 801637717 MRXUQYMZUCQUAC-OAHLLOKOSA-N 324.449 4.637 30 20 DJED CCSc1ccc([C@H](C)Nc2nc(Cl)c(C#N)s2)cc1 804430588 AWAROCBBMDYSHO-VIFPVBQESA-N 323.874 4.953 30 20 DJED Cc1cc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)c(C)o1 810167014 VQNORYQLINEBMV-UHFFFAOYSA-N 319.364 4.568 30 20 DJED Fc1cccc(C2CC(=NNc3ccc(F)c(F)c3F)C2)c1 814945949 YEEWBLIXRVQHMM-UHFFFAOYSA-N 308.278 4.589 30 20 DJED N#Cc1cccc(/C=C\C(=O)c2ccc(Cl)cc2Cl)c1 834690143 YBYGKIVMOGPGBZ-DAXSKMNVSA-N 302.160 4.761 30 20 DJED C[C@H](OC(=O)[C@@]1(C#N)CC12CCCC2)c1cccc(Cl)c1F 837903935 ZZTIAZRGCQYKRV-GTNSWQLSSA-N 321.779 4.557 30 20 DJED C[C@@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)C1CCC1 838790512 HRLCGUZGASVBRW-SKDRFNHKSA-N 318.829 4.562 30 20 DJED CCCCCCCCCN(C)C(=O)Nc1ccc2c(c1)CNC2 841333614 ZKCAMFAAFODIQP-UHFFFAOYSA-N 317.477 4.504 30 20 DJED CC1(C)CCCC[C@H]1CC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842940347 BVOIWTTWHKHAGS-KBPBESRZSA-N 316.470 4.803 30 20 DJED Cn1ncc(C2CC2)c1/C=C\C(=O)c1cccc(Cl)c1Cl 849245693 SXOVPSBNGWYMCI-FPLPWBNLSA-N 321.207 4.500 30 20 DJED COc1cc(OC)c(C(=O)/C=C\c2ccccc2C)cc1Cl 916154634 PQTZOHYZJIFYRI-HJWRWDBZSA-N 316.784 4.562 30 20 DJED Cc1ccc(C)c(C(=O)/C=C/c2cnc(-c3ccccc3)nc2)c1 917143371 ZUZBIKFKSSUXKL-ZHACJKMWSA-N 314.388 4.657 30 20 DJED O=C1/C(=C\c2cn3cc(Cl)ccc3n2)CCCc2ccccc21 920754746 CKUXEPLZXYTOOF-UVTDQMKNSA-N 322.795 4.590 30 20 DJED C=C[C@@](C)(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)o1 1118433640 XASOMTHVEYGMBL-BZNIZROVSA-N 306.793 4.717 30 20 DJED C[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 1126052854 CGVAOAZLUAFJHS-GOEBONIOSA-N 320.392 4.725 30 20 DJED Cc1cccc2cc(C(=O)O[C@H](C)c3ccc(C#N)cc3)oc12 1126638480 ZQZXIKIQNIYQQH-CYBMUJFWSA-N 305.333 4.531 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2oc3ccc(Cl)cc3c2C)c1 1129809503 OZXUNPRWXBCBSH-UHFFFAOYSA-N 324.767 4.827 30 20 DJED CC[C@H](C)Oc1cc(CNc2cc(C)cc(C#N)c2)ccc1OC 1202805164 OPBBFGXNNGICRG-HNNXBMFYSA-N 324.424 4.665 30 20 DJED FC(F)(F)[C@H]1CCC[C@@H](C=NNc2cc(Cl)ccn2)C1 1261653223 FBSMISZZERSXOY-ZJUUUORDSA-N 305.731 4.501 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1NCC1(C2CC2)CCC1 1307075599 XFHOMBUUOOIXNV-UHFFFAOYSA-N 311.816 4.752 30 20 DJED C[C@H]1CCc2c(sc(NC(=O)[C@H]3CCC(C)(C)C3)c2C#N)C1 1348101842 ZXEAATRUEYRKOA-RYUDHWBXSA-N 316.470 4.509 30 20 DJED CCCCC1CCC(C(=O)N(CC)c2ccc(C#N)cc2)CC1 1435247380 AKSYOBMCMXQHAJ-UHFFFAOYSA-N 312.457 4.908 30 20 DJED CC(C)CCn1ncc(Nc2cccc(F)c2C#N)c1C(C)C 1458365852 TVUDXFBTHABECG-UHFFFAOYSA-N 314.408 4.807 30 20 DJED C[C@H]1[C@@H](Cc2ccccc2)CCN1CCC1(C#N)CCCCC1 1459631126 KMCZNGKPDYKIPL-AZUAARDMSA-N 310.485 4.804 30 20 DJED Cc1csc(NC(=O)N(C)C[C@H](C)C2CCCCC2)c1C#N 1466472419 KZCRYZKEQITDJG-LBPRGKRZSA-N 319.474 4.608 30 20 DJED CCCC[C@@H](CCC)CNC(=O)c1cccc(SCC#N)c1 1516596915 UFXXWAMYIBJPJH-OAHLLOKOSA-N 318.486 4.639 30 20 DJED CC(C)N(C(=O)c1ccc(C#N)o1)c1ccc(Cl)c(Cl)c1 1520248481 FXVOWSMESKTJKY-UHFFFAOYSA-N 323.179 4.513 30 20 DJED CC1(C)CCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCCC2 1521563940 BPRVRKFQIKKTRN-CQSZACIVSA-N 316.470 4.653 30 20 DJED Cc1ccc(NC(=O)c2cc(C#N)ccc2F)c(Cl)c1Cl 1527526639 XSPRCKUWZRPZTI-UHFFFAOYSA-N 323.154 4.565 30 20 DJED N#Cc1ccc(F)c(NC(=O)c2ccc(C3CCCC3)cc2)c1 1528456524 MZWFZGNHOFWOMT-UHFFFAOYSA-N 308.356 4.607 30 20 DJED N#Cc1cccc(N(C(=O)c2cc3ccccc3o2)C2CCC2)c1 1528693923 PUSLSIFQXMDXFJ-UHFFFAOYSA-N 316.360 4.504 30 20 DJED Cc1ccc(CN(C(=O)c2cccc(C#N)c2C)C(C)(C)C)cc1 1533172653 RGLMSZOTQASQJQ-UHFFFAOYSA-N 320.436 4.616 30 20 DJED C[C@@H](Nc1nc(Cl)c(C#N)s1)c1ccc2c(c1)CCCC2 1559161028 LWDXNNXVZSRAMN-SNVBAGLBSA-N 317.845 4.720 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCCCc2sccc21 1559793907 GNXFZJZJKYFZBV-UHFFFAOYSA-N 310.466 4.892 30 20 DJED Cc1ccc(C(C)(C)C)cc1Sc1nnc(C)c(C)c1C#N 1639154499 KLRFDVTUGYGHID-UHFFFAOYSA-N 311.454 4.722 30 20 DJED CC[C@H](C)c1ccc([C@H](Nc2cc(C#N)cnn2)C(C)C)cc1 1639204701 POTVBDOZVAGAFE-IFXJQAMLSA-N 308.429 4.671 30 20 DJED N#Cc1c(F)cccc1N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 1651004606 BPHQWEPTWKMKKF-MQMHXKEQSA-N 300.764 4.709 30 20 DJED C[C@H](CN[C@H]1CCCc2cc(C#N)ccc21)c1cccc(Cl)c1 1652684484 LDADUNLAXLCRPU-VLIAUNLRSA-N 324.855 4.982 30 20 DJED Cc1c(C#N)cccc1NCc1cccc(Oc2ccccn2)c1 1656341342 SIQBZBFOIDLZFU-UHFFFAOYSA-N 315.376 4.666 30 20 DJED CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(CC(=O)O)cc2)cc1 1776119414 AJUDRHYFRXJVSR-MDWZMJQESA-N 322.404 4.507 30 20 DJED CC(C)(C)c1ccccc1/C=C/C(=O)c1csc(C(=O)O)c1 1776276486 MWMCIXPNLYAWKA-CMDGGOBGSA-N 314.406 4.640 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)c2sccc2C(C)C)n1 80455732 XGOJLRYUACQUSA-GFCCVEGCSA-N 318.467 4.941 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCc1ccc(C#N)cc1 109002796 PTMSCAYHJMKMRD-AWEZNQCLSA-N 307.422 4.565 30 20 DJED CCOc1ccc(/C=C/C(=O)c2cccc(C)c2)cc1OCC 109196601 YUMNBRCGUOKCGB-PKNBQFBNSA-N 310.393 4.689 30 20 DJED Cc1cccc(NC(=O)Nc2cccc(OCCCC#N)c2)c1C 113519937 CUPLNTAWBIPIHC-UHFFFAOYSA-N 323.396 4.630 30 20 DJED Cc1cccc([C@@H](C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 133417345 QJWAEEGFLWRGOK-OAHLLOKOSA-N 306.409 4.538 30 20 DJED C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)c2ccccn2)cc1 152419203 GMAMGVGVUTXFKX-HUUCEWRRSA-N 316.832 4.625 30 20 DJED C=CCN(C)C(=O)Nc1ccc(Sc2ccccc2)cc1C 156870458 WTKKMUAMMSOGJB-UHFFFAOYSA-N 312.438 4.796 30 20 DJED N#C[C@H](C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1nc2ccccc2o1 179386749 VIEVSSZJGKJCBQ-ZJIFWQFVSA-N 322.408 4.611 30 20 DJED Cc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)co1 186794066 REYUVAYAPDBFTQ-UHFFFAOYSA-N 318.332 4.504 30 20 DJED COc1cccc2cc(/C=C\C(=O)c3ccc(F)c(F)c3)oc12 215520581 RUWADVDJVUPQHY-VURMDHGXSA-N 314.287 4.616 30 20 DJED N#Cc1ccc(CN[C@@H](c2ccc(Cl)cc2)C2CCC2)cc1 237797137 XIFYTHNNYKUEKM-LJQANCHMSA-N 310.828 4.843 30 20 DJED N#C[C@H](C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1nc2ccccc2o1 245949989 VIEVSSZJGKJCBQ-KLHDSHLOSA-N 322.408 4.611 30 20 DJED CC[C@H](c1ccccc1)N(CC)CCCC1(C#N)CCOCC1 282127584 YKQSKNJJNJDUKY-LJQANCHMSA-N 314.473 4.560 30 20 DJED N#CCCCCN[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 284325597 MAZUTWWSBFDRCW-JKSUJKDBSA-N 310.363 4.625 30 20 DJED C=CCN(CCC#N)C(=O)Nc1c(C(C)C)cccc1C(C)C 292931203 YSUIXNLJWRLJEO-UHFFFAOYSA-N 313.445 4.867 30 20 DJED N#C[C@@H]1CCC[C@H]1/N=C(/O)Cc1cc2c(ccc3ccccc32)o1 328734873 KIOPWZXGKASEPR-KBXCAEBGSA-N 318.376 4.777 30 20 DJED O/C(=N/CC1CCC(c2ccccc2)CC1)c1ncoc1C1CC1 328885818 NPBDBSVUPYSBGL-UHFFFAOYSA-N 324.424 4.831 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCCc2ccc(F)cc21 341799815 COTFSKSYMONWFE-SFTDATJTSA-N 320.411 4.742 30 20 DJED N#Cc1cc(CN[C@@H](CC2CCC2)c2ccccc2)ccc1F 351094820 DCLAPTKSLVSXIQ-FQEVSTJZSA-N 308.400 4.718 30 20 DJED N#C[C@@H]1CC[C@@H](N[C@H](c2ccc(Cl)cc2)c2ccsc2)C1 442778785 BZOMIXAUMSPOGA-CSMYWGQOSA-N 316.857 4.773 30 20 DJED CC(C)Oc1ccc(CNc2c(Cl)cccc2C#N)cc1 462930425 VWHJYEDRAFELSE-UHFFFAOYSA-N 300.789 4.611 30 20 DJED C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)[C@H](C)c1ccccc1C(F)(F)F 463241818 DLTNAFXYVNGIKF-BYNSBNAKSA-N 324.390 4.869 30 20 DJED CC(C)c1ccccc1NC(=O)C[C@@H](CC#N)c1ccccc1 474599722 SERBKMAJFUCNFL-QGZVFWFLSA-N 306.409 4.836 30 20 DJED CCc1cc2c(Oc3cc(Cl)ccc3C#N)ncnc2s1 474788505 FXRQAABAFMPZHE-UHFFFAOYSA-N 315.785 4.571 30 20 DJED Cc1ccc(-c2ccc(C)c(NC(=O)C3(C#N)CCCCC3)c2)o1 477548611 XKFMDUUZWXPMOW-UHFFFAOYSA-N 322.408 4.976 30 20 DJED Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)c(C)cc1Cl 483481624 IFHQTKAZZAPZOZ-ZDUSSCGKSA-N 324.767 4.588 30 20 DJED CC[C@H](C)Sc1ccc(NC(=O)N(C)C[C@@H](C)C#N)c(C)c1 509970758 NCGXAJJNRXBRFE-JSGCOSHPSA-N 319.474 4.509 30 20 DJED C=CCOc1cccc(NC(=O)N(C)[C@@H](C)c2ccc(C)cc2)c1 511012523 HEXKVVOTTYQFGC-INIZCTEOSA-N 324.424 4.785 30 20 DJED N#Cc1c(F)cccc1Oc1cccc(Oc2ccccn2)c1 523479902 WMWNVOXKUOIEKT-UHFFFAOYSA-N 306.296 4.677 30 20 DJED C=C[C@H](CC(=O)N1CCC[C@@H]1Cc1ccccc1)c1ccccc1 533888791 YLYKIKWJLKDIHG-TZIWHRDSSA-N 319.448 4.580 30 20 DJED C=CC[C@H](C)N[C@@H](C)c1sc(-c2ccccc2F)nc1C 537969682 LBDGXFFXUHVKTO-RYUDHWBXSA-N 304.434 4.873 30 20 DJED CC(C)(C#N)c1ccccc1CN[C@@H]1CCCC[C@@H]1C(F)(F)F 578067241 BPIXCZSBNWQIGL-JKSUJKDBSA-N 324.390 4.698 30 20 DJED C=CCC[C@H](NC[C@H]1CCO[C@@H]1c1ccccc1)c1ccco1 580303232 MSCFDPGPGGKMMC-WSTZPKSXSA-N 311.425 4.654 30 20 DJED C[C@H](CC#N)NC(=O)Nc1ccc(N=Nc2ccccc2)cc1 588513037 OPOZIVGDYFGITD-CYBMUJFWSA-N 307.357 4.526 30 20 DJED CC[C@@H](C#N)c1ccc(-c2ccc(O[C@@H]3CCOC3)cc2)cc1 592985166 UQEXLGBQLMQBAC-MGPUTAFESA-N 307.393 4.538 30 20 DJED N#Cc1ccc(CSCc2cc(C3CC3)no2)c(Cl)c1 596406018 KCDDVFJZOUNCOX-UHFFFAOYSA-N 304.802 4.510 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1cc2ccccc2s1 609186940 GRXINLJCGKDSIB-UHFFFAOYSA-N 314.454 4.693 30 20 DJED N#Cc1ccc(SCc2csc(-c3ccoc3)n2)c(F)c1 610219763 ORUHJNYNPIAYIT-UHFFFAOYSA-N 316.382 4.706 30 20 DJED CC1CC(C#N)(C(=O)Nc2cccc(Sc3ccccc3)c2)C1 610712940 DGFTZRJEPUXSRM-UHFFFAOYSA-N 322.433 4.716 30 20 DJED COc1ccc(Cl)cc1[C@@H](C)N[C@H](C)c1cccc(C#N)c1 610830069 BZNSRSUIDFXOKW-CHWSQXEVSA-N 314.816 4.632 30 20 DJED Cc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)ccc1Cl 675268591 SXNTWWYHNMNOTD-OAHLLOKOSA-N 320.779 4.687 30 20 DJED C=CCN1CCC(N[C@H](CC)c2cccc3ccccc23)CC1 682134205 WDAKNZTZTVINNF-OAQYLSRUSA-N 308.469 4.531 30 20 DJED CC(=NNc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)COC2 743434628 WAVGAOXVSLZZAY-UHFFFAOYSA-N 321.207 4.860 30 20 DJED CC(C)=C(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 751375410 GSCZEAKRZKCYBN-UHFFFAOYSA-N 306.365 4.645 30 20 DJED Cc1cc(C(=O)/C=C\c2sc3ccccc3c2Cl)no1 752879451 UUASUBWQZNYPTM-SREVYHEPSA-N 303.770 4.747 30 20 DJED CSc1ccc(C(=O)/C=C\c2cnc(Cl)c(C)c2)cc1F 760263258 GEOWWYJPGYYINM-HYXAFXHYSA-N 321.804 4.801 30 20 DJED Cc1ccc([C@H]2CCC[C@H]2Nc2cccc(OCC#N)c2)cc1 768518996 LBFKRAHQMCENLG-WOJBJXKFSA-N 306.409 4.646 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1cc2cccc(Cl)c2o1 770239734 NSBORAOZYWNSLG-UHFFFAOYSA-N 310.740 4.519 30 20 DJED Fc1cccc(C2CC(=NNc3ncccc3C(F)(F)F)C2)c1 781589234 GRMYJGOPYKLGJS-UHFFFAOYSA-N 323.293 4.585 30 20 DJED Cc1cc2ccccc2nc1NN=C1CCC[C@@H]1c1ccccn1 794921111 BNUYUFPWDSXMFG-MRXNPFEDSA-N 316.408 4.674 30 20 DJED CC(C)(C#N)[C@H]1CCCC1=NNc1nc(-c2ccccc2)cs1 814769628 SPHBCNHBXBOFRA-AWEZNQCLSA-N 324.453 4.928 30 20 DJED CCCCCCCC(=O)Nc1ccc(-c2ncco2)cc1C 816715751 IGKGTPHGPZUXQD-UHFFFAOYSA-N 300.402 4.949 30 20 DJED Cc1c(NCc2ccc(C#N)cc2F)cccc1C(F)(F)F 864018995 IQAUWCYIKNVXDO-UHFFFAOYSA-N 308.278 4.637 30 20 DJED CC(=NN[C@@H](C)c1ccccc1)c1sc(C(C)(C)C)nc1C 920382774 OEYCSDGZSBTVMM-LBPRGKRZSA-N 315.486 4.824 30 20 DJED Cc1ccc(SCCC(=O)Nc2cccc(C#N)c2C)cc1C 1127065343 GGUPYGPYHFCQBG-UHFFFAOYSA-N 324.449 4.604 30 20 DJED CCc1ccc(COc2c(C#N)cnc3ccc(C)cc23)cc1 1166234949 OZJPHSYUGLPXKG-UHFFFAOYSA-N 302.377 4.556 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)CC1CCC(F)(F)CC1 1167248605 XNRIDFMQYRLGOB-UHFFFAOYSA-N 306.400 4.594 30 20 DJED C[C@H](CCC#N)CN1CCc2cc(Cl)cc(Cl)c2[C@H]1C 1179951585 LDBVVQBCGIIPMA-VXGBXAGGSA-N 311.256 4.852 30 20 DJED N#Cc1ccc(SCC2CCCCC2)cc1Br 1185055666 ZTQDKZQMWYEOLK-UHFFFAOYSA-N 310.260 4.993 30 20 DJED COc1ccccc1[C@@H]1CC[C@H](C)CN1c1cccc(F)c1C#N 1186403881 CVNSRWXFXWAFRH-LIRRHRJNSA-N 324.399 4.684 30 20 DJED CCCC[C@@H](CCC)NC(=O)N[C@@H](CCC#N)c1ccccc1 1229665028 WCLLGWWGAAVDBR-MSOLQXFVSA-N 315.461 4.690 30 20 DJED CC(C)[C@H]1CCc2c(sc(NC(=O)CCC3CC3)c2C#N)C1 1274183550 YEMDPOOYSATLQT-ZDUSSCGKSA-N 316.470 4.509 30 20 DJED N#Cc1ccsc1C(=O)OCc1ccc(-c2ccccc2)cc1 1347807076 CLXNTUZGYOSUDD-UHFFFAOYSA-N 319.385 4.644 30 20 DJED C[C@@H](CCCc1ccccc1)C(=O)O[C@H](C)c1ccc(C#N)cc1 1435361126 DCEJTQVRGBSNIA-DLBZAZTESA-N 321.420 4.821 30 20 DJED CCC(CC)CN(CCC#N)Cc1nc2cc(C)ccc2s1 1459609007 MPDFIEPJPKPUND-UHFFFAOYSA-N 315.486 4.757 30 20 DJED C[C@H]1c2c(Cl)cc(Cl)cc2CCN1CCC(C)(C)C#N 1459626549 KXSZCUKDBBFUGJ-NSHDSACASA-N 311.256 4.852 30 20 DJED CC1(c2ccccc2)CCC(NCc2ccc(C#N)c(F)c2)CC1 1462346385 DRYHIGBURAUDTD-UHFFFAOYSA-N 322.427 4.687 30 20 DJED C=C(CNCc1cc(Cl)ccc1OC(F)F)c1ccccc1 1473982495 QIXMYFKKMSSRMK-UHFFFAOYSA-N 323.770 4.744 30 20 DJED N#Cc1cccc(N(C(=O)C(C2CCC2)C2CCC2)C2CCC2)c1 1528693035 JEMFDEDYSBVNRG-UHFFFAOYSA-N 322.452 4.660 30 20 DJED CC(C)CN(CCC#N)Cc1ccccc1OCc1ccccc1 1559554233 XPXYPVNNINANBJ-UHFFFAOYSA-N 322.452 4.637 30 20 DJED CCCC[C@H](CC)CCCN(C)C(=O)[C@]1(C#N)CC12CCCC2 1586673265 NQVAJYJCDFMKHE-FXAWDEMLSA-N 318.505 4.915 30 20 DJED Cc1cccc([C@@H]2CCN(Cc3ccc(C#N)cc3Cl)C2)c1 1617147291 QOOCQIBQVDLFBN-QGZVFWFLSA-N 310.828 4.510 30 20 DJED C=C(Cl)CN1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 1643057501 VQNRLHAXTYDDED-CYBMUJFWSA-N 303.755 4.637 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1CCc1ccc(Cl)cc1 1653427819 PLIZLTKXMWHBHC-WOJBJXKFSA-N 324.855 4.654 30 20 DJED COc1ccc(C#N)cc1CN(C(C)C)[C@H](C)c1ccccc1 1654617371 BUKQAUMYOPTMCW-MRXNPFEDSA-N 308.425 4.538 30 20 DJED C[C@H]1C[C@H](Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC[C@H]1C 1658056352 NAIGXBBRQSNZQI-HLLBOEOZSA-N 321.424 4.982 30 20 DJED CCC(CC)(CNCC(C)(C)CCC#N)c1ccc(F)cc1 1662936979 NBCCFOPJHDIFNW-UHFFFAOYSA-N 304.453 4.803 30 20 DJED Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2cccc(F)c2C#N)o1 1663653168 MDDWZLQWUXTLCH-ACJLOTCBSA-N 312.388 4.572 30 20 DJED Cc1ccccc1C(NC[C@H](C)CCC#N)c1ccccc1C 1664185064 NMPZVUQLEDCLSQ-MRXNPFEDSA-N 306.453 4.922 30 20 DJED N#Cc1ccc(CN(Cc2cccs2)Cc2cccs2)cc1 16396730 OIXNHXTZEWCPDE-UHFFFAOYSA-N 324.474 4.884 30 20 DJED N#Cc1cccc(C(=O)Nc2ccccc2SC2CCCC2)c1 25265269 KGTBLJLANBRBDO-UHFFFAOYSA-N 322.433 4.845 30 20 DJED CC[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)c1cccs1 94267123 OGPHDKBQJOPHCF-SNVBAGLBSA-N 311.332 4.597 30 20 DJED Cc1cc(C(=O)/C=C/c2ccc(O[C@@H](C)C#N)cc2)c(C)s1 103250136 LNTWZLLOEOEFCI-LZGFCCKTSA-N 311.406 4.552 30 20 DJED N#Cc1ccccc1NCc1ccc(Br)cc1Cl 133319382 PKDAQKQRQKUWSO-UHFFFAOYSA-N 321.605 4.586 30 20 DJED CCC(=O)c1cccc(NCc2ccccc2C(C)(C)C#N)c1 135763951 SXYGGCXYGYYNCI-UHFFFAOYSA-N 306.409 4.693 30 20 DJED CCC[C@@H](NCc1ccc(C#N)s1)c1ccc(F)cc1F 150933432 LANXBSYRIWEUFF-MRXNPFEDSA-N 306.381 4.529 30 20 DJED CC(C)(C#N)CCC[S@](=O)Cc1ccc(Cl)c(Cl)c1 177941263 JAHRJBTUKMHZPF-IBGZPJMESA-N 318.269 4.572 30 20 DJED Cc1ccccc1[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)C(C)C 181741723 WQKCIAZWWCFRQE-LAUBAEHRSA-N 322.452 4.945 30 20 DJED CC(C)c1cnc(NCc2cccc(OCCCC#N)c2)s1 185986114 NAHBLOKXOCFHOA-UHFFFAOYSA-N 315.442 4.561 30 20 DJED COc1ccc([C@@H](C)Nc2cccc(OCCCC#N)c2)cc1 193904584 JVBJXQWXMORJJW-OAHLLOKOSA-N 310.397 4.551 30 20 DJED COc1cc(C(=O)/C=C\c2ccc(C)c(C)c2)ccc1SC 207745935 HVWYFJNPVKLMEH-CLFYSBASSA-N 312.434 4.930 30 20 DJED Cc1ccc(/C=C\C(=O)c2cc(Br)cs2)s1 210595963 IDCZUHZXILISCS-PLNGDYQASA-N 313.241 4.777 30 20 DJED CCOc1cccc(/C=C\C(=O)c2c[nH]c3cc(F)ccc23)c1 215012618 NSWZMPMQOUAGRG-TWGQIWQCSA-N 309.340 4.602 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)C[C@H]1CC[C@@H](C)C1 246483057 GSUPKAXRJXUNRB-KFWWJZLASA-N 316.470 4.703 30 20 DJED CC#CCCCC(=O)Nc1ccccc1COCc1ccccc1 274263177 DESMSGOVDWQWJE-UHFFFAOYSA-N 321.420 4.536 30 20 DJED C=C(C)COc1cccc(NC(=O)c2sccc2SC)c1 409918561 HNGLFKKWZKISAI-UHFFFAOYSA-N 319.451 4.677 30 20 DJED Cc1c(N[C@H](C)c2ccc(C#N)cc2)cccc1-c1ncco1 427447518 XVAWIUGPUWRPPS-CQSZACIVSA-N 303.365 4.695 30 20 DJED C=CCC[C@@H](NC(=O)Nc1ccc(C)nc1C)c1ccccc1 435588989 NTXVKSLYFGSRED-GOSISDBHSA-N 309.413 4.527 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1cccc(CCC(F)(F)F)c1 439437165 YRBPWCFCKPPXTE-ZDUSSCGKSA-N 314.351 4.658 30 20 DJED C=CCC(CC=C)C(=O)N1CC[C@@](C)(CCc2ccccc2)C1 467317381 XUIZPJOLNAGCPG-OAQYLSRUSA-N 311.469 4.626 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCCC1(C)C 475410203 LJHWVWQDRBSSJU-UONOGXRCSA-N 316.470 4.703 30 20 DJED C=C(C)[C@H](NCc1cc(F)ccc1C)c1ccc(F)c(F)c1 479400770 ZZWZAUHLZXIJRT-SFHVURJKSA-N 305.343 4.819 30 20 DJED C[C@H](N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1ccc(C#N)cc1 479534421 WPINGXZTQXGSGC-BOUXLOLZSA-N 308.400 4.684 30 20 DJED N#Cc1ccc(Br)c(CNc2ccccc2Cl)c1 492610977 YMHSBTDOMDBYGQ-UHFFFAOYSA-N 321.605 4.586 30 20 DJED Cc1ccc(C#N)cc1NCc1cnc(-c2ccsc2)s1 500972330 IUJZKEOFXSUQMN-UHFFFAOYSA-N 311.435 4.664 30 20 DJED C=CCN(CC=C)C(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 519973602 IXUVBGINGPFBQN-UHFFFAOYSA-N 322.408 4.993 30 20 DJED Cc1ccc(C[C@H](C#N)Sc2ccc(C#N)cc2Cl)cc1 532855912 FPWMGXCJDSPQNW-OAHLLOKOSA-N 312.825 4.747 30 20 DJED CC[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1cc(F)ccc1F 537406610 HKERUERHMAHUFM-BBATYDOGSA-N 318.342 4.777 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1cc2cccc(C)c2s1 554717753 KJWDCMZZHDMHNX-UHFFFAOYSA-N 306.390 4.642 30 20 DJED CCCN(Cc1ccc(C#N)cc1)[C@H](C)c1cc(F)ccc1F 558061870 NTVZRXOTJFWJJQ-CQSZACIVSA-N 314.379 4.810 30 20 DJED CC(C)[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 571129179 GQLLBSPCNVNGAR-VQTJNVASSA-N 308.400 4.672 30 20 DJED N#C[C@H]1CC[C@H](Nc2cccc(COc3ccc(F)cc3)c2)C1 576074400 FHUNOQZFAZOOKP-KSSFIOAISA-N 310.372 4.509 30 20 DJED C=C(C)CN(CC)C(=O)Nc1cccc(-c2cccs2)c1 591508201 UYCDLHHYVMSJMQ-UHFFFAOYSA-N 300.427 4.845 30 20 DJED C[C@H](c1ccccc1)N(C(=O)CCCCCC#N)C1CCCC1 591857647 VXUOIJDWIVCLPA-QGZVFWFLSA-N 312.457 4.993 30 20 DJED CCC[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(OC)cc1 610829747 IGIZXQWVFPCHOP-QRWLVFNGSA-N 308.425 4.759 30 20 DJED Cc1cc(C)c(NC(=O)c2ccc(C#N)c(Cl)c2)c(Cl)c1 614462763 UQJCSBQEOBLZOA-UHFFFAOYSA-N 319.191 4.734 30 20 DJED CCOCc1cccc(N=Cc2c(O)ccc3ccccc23)c1 726428805 FROWHILUBLTNQR-UHFFFAOYSA-N 305.377 4.833 30 20 DJED O=C1/C(=C\c2cccc(C(F)(F)F)c2)CCc2sccc21 726889447 CKDPRBSRVPNQKD-FLIBITNWSA-N 308.324 4.979 30 20 DJED O=C(/C=C\c1cccc(Cl)c1Cl)c1ccc(O)c(F)c1 728438389 DXVUZNSPZBVPSA-XQRVVYSFSA-N 311.139 4.734 30 20 DJED C#Cc1cccc(N(C)C(=O)c2ccc(-c3ccccc3)cc2)c1 728482756 HIYAQGNXYXXDHB-UHFFFAOYSA-N 311.384 4.612 30 20 DJED CCC/C(C)=C\C(=O)Nc1ccccc1S[C@@H](C)CC#N 731333166 XLWJIQFNYVBYKZ-DINCDJDBSA-N 302.443 4.766 30 20 DJED C#CCCOc1ccc(CN[C@@H](CC(C)C)c2ccccc2)cc1 733323198 OKFXQOINOYBMCZ-QFIPXVFZSA-N 321.464 4.966 30 20 DJED C[C@@H](CC#N)OC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F 733712090 VWCAILCZJUPMFK-NSHDSACASA-N 317.747 4.605 30 20 DJED Cc1ccsc1C(=O)/C=C\c1ccc(C(C)C)c([N+](=O)[O-])c1 733749384 MMULWBRCSWKHLJ-ALCCZGGFSA-N 315.394 4.984 30 20 DJED CC(C)(C)c1ncc(/C=C\C(=O)c2ccccc2Cl)s1 736430829 JHXPBUOMZZMXIW-HJWRWDBZSA-N 305.830 4.990 30 20 DJED O=C(/C=C\c1cc(-c2ccccc2)cs1)c1cncc(F)c1 737443779 KTNDJQIYDPDWEG-SREVYHEPSA-N 309.365 4.845 30 20 DJED O=C1/C(=C/c2nccc3ccccc23)CSc2ccc(F)cc21 740763369 AOLLVMDTCCJCRU-UKTHLTGXSA-N 321.376 4.746 30 20 DJED COc1c(Cl)cc(Cl)cc1/C=C/C(=O)c1ccsc1 749104910 PAHXHXBSLPZYOH-NSCUHMNNSA-N 313.205 4.960 30 20 DJED CCN(CCC#N)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 750581994 ZWHVGUAUKVTIMQ-UHFFFAOYSA-N 321.384 4.869 30 20 DJED CC(=NNc1cc(Cl)ccc1Cl)c1scnc1C 751895536 NXSQOFYFVBBFLC-UHFFFAOYSA-N 300.214 4.594 30 20 DJED C=CC[C@H](N[C@@H]1CCSc2c(F)cccc21)c1ccncc1 766019163 KMQYHHXBKIKVSB-DLBZAZTESA-N 314.429 4.665 30 20 DJED CC(C)(C#N)CCCCOC(=O)CCc1ccc(Cl)cc1 768537301 RCVVNAUKDZBVAB-UHFFFAOYSA-N 307.821 4.536 30 20 DJED CCSc1ccc(C(=O)/C=C/c2ccc(F)c(C#N)c2)cc1 770574825 MTKLFQXNYLTSTJ-ONNFQVAWSA-N 311.381 4.705 30 20 DJED C=CCCC[C@H](C)NC(=O)c1ccccc1SC(F)(F)F 776016332 NYLKXQRAUSPOII-NSHDSACASA-N 317.376 4.773 30 20 DJED CC[C@H](C)CCCCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 784876847 YOTWIRGVVZMELY-DZGCQCFKSA-N 311.429 4.654 30 20 DJED O=C(/C=C/c1cc(F)c(F)c(F)c1)c1csc(Cl)c1 787187257 ZQABLGFIDNRLBG-OWOJBTEDSA-N 302.704 4.715 30 20 DJED CC1(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)CCCCCC1 797566906 BSWPOHAYQXAOSY-ZDUSSCGKSA-N 318.486 4.977 30 20 DJED Cc1cc(C(=O)/C=C\c2cccc(-c3ccccn3)c2)oc1C 799894723 CZYLLCHBVLAVDD-KTKRTIGZSA-N 303.361 4.855 30 20 DJED C#CC[C@@H](N[C@H](C)c1nccc2ccccc12)c1ccccc1 810228933 OFYOLVGBWZFSMB-OXQOHEQNSA-N 300.405 4.650 30 20 DJED Cc1cc(F)ccc1[C@@H](C)Nc1cccc(OCCCC#N)c1 815602697 HNWROJLABSKVKS-OAHLLOKOSA-N 312.388 4.990 30 20 DJED N#CCOc1ccc(-c2nc3cccc(Cl)c3s2)cc1 916855127 XPDJSVDJCKGXAP-UHFFFAOYSA-N 300.770 4.519 30 20 DJED Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1OCCC(C)C 1126386680 ZRFPVBDERWXELS-UHFFFAOYSA-N 322.408 4.544 30 20 DJED C[C@@H](OC(=O)c1ccc2sccc2c1)c1cccc(C#N)c1 1127022057 WSPZJRDMAKEVPB-GFCCVEGCSA-N 307.374 4.691 30 20 DJED CC(C)(C)c1ccc(C#N)c(NCC[C@H]2CCc3ccccc32)n1 1163413667 WNQSIRBMFWAARD-MRXNPFEDSA-N 319.452 4.783 30 20 DJED N#Cc1ccccc1COc1cc(C(F)(F)F)ccc1Cl 1165214280 KXEQWCZUWXIBQT-UHFFFAOYSA-N 311.690 4.809 30 20 DJED Cc1cc(CN2C[C@@H](C)C[C@@H]2c2ccccc2F)ccc1C#N 1179938423 URVBUROOPMJDNV-VBKZILBWSA-N 308.400 4.589 30 20 DJED Cc1ccccc1[C@H](Nc1nc(C#N)c(Cl)s1)C1CC1 1185346875 QCNLFANFOWWGBC-CYBMUJFWSA-N 303.818 4.540 30 20 DJED CC(C)Oc1ccc(COc2cccc(C#N)c2)cc1Cl 1225225833 UMKWFDGVVGEYEL-UHFFFAOYSA-N 301.773 4.578 30 20 DJED CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNc1nc(C#N)c(Cl)s1 1306949772 UANRVKULPDZXAM-WOPDTQHZSA-N 311.882 4.788 30 20 DJED N#Cc1cccc(SCc2ccc(F)c(Br)c2)c1 1307309333 MCRFAPUJCXMGTE-UHFFFAOYSA-N 322.202 4.752 30 20 DJED Cc1cc(C)c(C#N)c(N[C@@H](C)c2ccccc2OC(C)C)n1 1317902495 DCQYJFRSOKSJAV-HNNXBMFYSA-N 309.413 4.530 30 20 DJED C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1csc(C#N)c1 1328231893 CLEMCGFEOJFIJZ-AWEZNQCLSA-N 324.449 4.623 30 20 DJED C=CCCc1ccccc1NC(=O)N1CC(c2ccc(F)cc2)C1 1344482516 FJUJVCIMAQMBDV-UHFFFAOYSA-N 324.399 4.576 30 20 DJED Cc1cccc([C@H](C)C(=O)N(c2cccc(C#N)c2)C2CCC2)c1 1437669717 BVSBCFHNCUZVCM-INIZCTEOSA-N 318.420 4.556 30 20 DJED Cc1cc(C#N)cc(N[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)c1 1474578241 QQNPPSJNIGSNQS-MOPGFXCFSA-N 306.409 4.525 30 20 DJED CC(C)C[C@@H](C(=O)O[C@@H](C)c1cccc(C#N)c1)c1ccccc1 1544187704 KYVDYKWARTUMCT-OXJNMPFZSA-N 321.420 4.992 30 20 DJED Cc1c(C#N)c(S[C@@H](C)c2ccccc2F)nc2c1CCC2 1559342175 SIYYCZBTXFQTCR-LBPRGKRZSA-N 312.413 4.743 30 20 DJED CCc1ccc([C@@H]2CCCCCN2Cc2cccc(C#N)c2)o1 1652543930 WNTNSLMGWOJLTB-IBGZPJMESA-N 308.425 4.831 30 20 DJED C[C@H](CCNc1nc(C(F)(F)F)ccc1C#N)CC(C)(C)C 1655377687 UWJPWDHHZVBGFB-LLVKDONJSA-N 313.367 4.846 30 20 DJED CC[C@H](CC#N)NCc1c(Cl)cccc1Oc1ccccc1 1658745241 YSJOXGAZXDKDHE-CQSZACIVSA-N 314.816 4.914 30 20 DJED N#Cc1ccc(Sc2ncc(C(F)(F)F)cc2Cl)cc1 48837479 QIBPTUDGAVETDF-UHFFFAOYSA-N 314.719 4.777 30 20 DJED C[C@H](Nc1ccc(F)cc1OCC#N)c1ccccc1Cl 155472017 SVRYUDMVJGXNCB-NSHDSACASA-N 304.752 4.555 30 20 DJED N#Cc1ccc(Cl)cc1N[C@H]1CCO[C@@H](c2ccccc2)C1 160584736 XDKXFKDXKJXGCR-FUHWJXTLSA-N 312.800 4.544 30 20 DJED CC(C)c1nccn1Cc1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1 185727662 UIYCYZVCYARHMU-SJLPKXTDSA-N 322.456 4.549 30 20 DJED CC[C@H](NCc1ccc(C#N)c(F)c1)c1cccc(Cl)c1 192149825 ZTNUCBFAANAHIU-KRWDZBQOSA-N 302.780 4.592 30 20 DJED CSc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)cc1 281620633 NSKBHCOJEDPXJI-STQMWFEESA-N 314.429 4.831 30 20 DJED C[C@@H]1CCC[C@H](CNc2ccc(C#N)c(Br)c2)C1 300685404 WBLQCAUSIZIBHC-NEPJUHHUSA-N 307.235 4.559 30 20 DJED C[C@@H](Nc1ccc(OCC#N)cc1)c1ccc2ccccc2c1 319749654 AYJUUCDEJHFPEF-OAHLLOKOSA-N 302.377 4.915 30 20 DJED C=C(CN[C@@H](C)c1ccc(-n2ccnc2C)cc1)c1ccccc1 346778061 LRQCKABDWMUNBE-KRWDZBQOSA-N 317.436 4.545 30 20 DJED COc1ccc2c(c1)[C@@H](N[C@@H](CCC#N)c1ccccc1)CCC2 358349288 HOYDXPGZSMLPEI-SFTDATJTSA-N 320.436 4.707 30 20 DJED C=CCN(CCC#N)C(=O)c1cc(-c2ccccc2)ccc1Cl 359437916 KPHFVTMLBHLZCY-UHFFFAOYSA-N 324.811 4.549 30 20 DJED CCCCCCCCCCC(=O)N1CCC(n2ccnc2)CC1 368883453 ASODDNCKEGXZFV-UHFFFAOYSA-N 319.493 4.577 30 20 DJED N#C[C@H]1CC[C@@H](N[C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 424325468 KZHMCLHLMJVROS-GUDXXQAFSA-N 322.374 4.623 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1sccc1C1CC1 432714951 WMJSUAPOGQPOIP-UHFFFAOYSA-N 303.452 4.515 30 20 DJED Cc1ccccc1[C@H](NCc1ccc(C#N)cc1Cl)C1CC1 439448511 HEIHSMABYQCGQI-LJQANCHMSA-N 310.828 4.761 30 20 DJED C[C@H](c1ccc(Oc2ccccc2)cc1)N1CCC(C#N)CC1 445207130 BZXOTKDRDWWXFP-MRXNPFEDSA-N 306.409 4.775 30 20 DJED C=CCC[C@H](N[C@@H]1CCO[C@@H](c2cccs2)C1)c1ccco1 453401327 ZDFKTEZALNXJOH-HLLBOEOZSA-N 317.454 4.858 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1ccccc1COc1ccccc1 466403629 GJOXRLMJXQUTBJ-QGZVFWFLSA-N 324.424 4.742 30 20 DJED C=CC[C@@H](CC)NC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 466540569 KUAHDAQYXYXFHT-HUUCEWRRSA-N 313.363 4.670 30 20 DJED C=CCC(CC=C)C(=O)NC1(c2cccc(C(F)(F)F)c2)CC1 467841807 VTMPORAXTKHOOL-UHFFFAOYSA-N 323.358 4.579 30 20 DJED CCOc1ccc(CN(C)Cc2ccccc2C(C)(C)C#N)cc1 487421760 QHPNFCRCNBIYMH-UHFFFAOYSA-N 322.452 4.518 30 20 DJED C=CC[C@@H](C(=O)N[C@H](C)c1cccc(F)c1F)c1ccccc1 489631350 SDQAMZHYUQVZHZ-CZUORRHYSA-N 315.363 4.502 30 20 DJED C=C(CNCc1csc(-c2ccc(C)cc2)n1)c1ccccc1 500113825 QECNATZQSDTSDR-UHFFFAOYSA-N 320.461 4.922 30 20 DJED N#Cc1cc(F)c(N[C@@H]2CCc3c(Cl)cccc32)c(F)c1 500506848 ZLSPZPMYGIMDFE-OAHLLOKOSA-N 304.727 4.589 30 20 DJED N#CC1(CNC2(c3cccc(C(F)(F)F)c3)CCCCC2)CC1 501528446 PPSXKZDDLRNJOP-UHFFFAOYSA-N 322.374 4.758 30 20 DJED C=CCCC[C@H](C)NC(=O)N(C)[C@H](CC)c1ccccc1OC 501560073 WSMREOKFIMQRGN-DOTOQJQBSA-N 318.461 4.533 30 20 DJED CC(C)[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1 503853763 FGKULZSMNFWZHV-ORAYPTAESA-N 314.379 4.884 30 20 DJED C=C(C)[C@H](CC(=O)N(CC)c1cccc2ccccc12)OCC 535162546 QQFBDGPJGYPMCK-IBGZPJMESA-N 311.425 4.564 30 20 DJED C=CCCC[C@@H](C)NC(=O)CCC(=O)c1ccc2ccccc2c1 539432812 FYWQVVOWOANWBZ-MRXNPFEDSA-N 323.436 4.664 30 20 DJED COc1cc(OC(F)F)ccc1-c1cccc(C2(C#N)CC2)c1 596640612 MNUPKPMTOAQLKV-UHFFFAOYSA-N 315.319 4.519 30 20 DJED Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)s1 602787687 XQOWAWKLSDAIOV-UHFFFAOYSA-N 316.451 4.511 30 20 DJED CC[C@H](NCc1cccc(OCCCC#N)c1)C1CCCCC1 608861146 XHYFIDDJLWXQHA-FQEVSTJZSA-N 314.473 4.818 30 20 DJED C=CCC(C)(C)c1noc(C2CC(c3ccc(F)cc3)C2)n1 645624158 HXVQSHGUFJEXPU-UHFFFAOYSA-N 300.377 4.724 30 20 DJED C=CCOc1cccc(NC(=O)N(C2CCCCC2)C2CC2)c1 675220840 AUEOXLMHYCXBLE-UHFFFAOYSA-N 314.429 4.580 30 20 DJED Cc1ccc(C(=O)/C=C\c2csc(-c3cccs3)n2)o1 728440605 ZGBKDDQJEUBVIV-WAYWQWQTSA-N 301.392 4.669 30 20 DJED CC(=NNc1cccc(Br)c1)c1cc(C)sc1C 745988336 UFFNOHMDUQBYND-UHFFFAOYSA-N 323.259 4.964 30 20 DJED O=C(/C=C/C=C\c1ccccc1)c1ccc(OC(F)F)cc1 746682410 ALRNAZZJIDBNSI-MVTUOISNSA-N 300.304 4.740 30 20 DJED Cc1cc2cc(C(=O)/C=C\c3cnn(C(C)C)c3)oc2cc1C 749132778 RKAQRZUJXYMKSW-WAYWQWQTSA-N 308.381 4.723 30 20 DJED C=CCN(Cc1ccc(Cl)s1)Cc1cnc(Cl)s1 750599740 HUKRPFFITBSOST-UHFFFAOYSA-N 319.282 4.700 30 20 DJED FC(F)(F)c1ccccc1ON=C[C@H]1C[C@@H]1c1ccccc1 755816455 QWQLJHOIIQRJLQ-ZIAGYGMSSA-N 305.299 4.874 30 20 DJED N#Cc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1F 756265290 GJHFYMLHIYDYIQ-UXBLZVDNSA-N 301.320 4.747 30 20 DJED CCCCCCCCC(=O)N1CCC[C@H]1c1ccc(COC)o1 767221221 RIBADUFVINRHKI-KRWDZBQOSA-N 321.461 4.840 30 20 DJED COc1ccc(C(=O)/C=C/c2cccc(-c3cccnc3)c2)cc1 768485210 SJXHHDQTYGEOFY-KPKJPENVSA-N 315.372 4.653 30 20 DJED CCC[C@@H](C=NNc1nncc2ccccc12)c1ccccc1 769566574 FIEYTFKPDVJEKQ-INIZCTEOSA-N 304.397 4.611 30 20 DJED O=C(/C=C/c1ccc(C(F)F)cc1)c1ccc(-n2cccn2)cc1 794938677 QQNZDZSPUOOMIT-NYYWCZLTSA-N 324.330 4.706 30 20 DJED O=C(/C=C/c1c[nH]c(C(F)(F)F)c1)c1ccc(F)c(Cl)c1 806567086 RPCNGIUGUAQNQM-DAFODLJHSA-N 317.669 4.722 30 20 DJED COCc1ccccc1/C=C(C)/C=C\C(=O)c1ccccc1F 814186708 NKCBKJKZBRSZSW-XGRKLIJNSA-N 310.368 4.815 30 20 DJED CCCCCCCCC(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 834307711 GPRNFUUIVWTEQO-MSOLQXFVSA-N 321.505 4.545 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccccc1-c1ncco1 889023502 CMQUIBJTTBIXCL-UHFFFAOYSA-N 313.401 4.552 30 20 DJED CC(=NNc1cccc(C)c1)c1sc(C(C)(C)C)nc1C 915109695 FVGJDTYIUYIMHE-UHFFFAOYSA-N 301.459 4.894 30 20 DJED CC(C)=CCC/C(C)=C\C=NNc1ncnc2sccc12 916368700 WQAYMQDTZCNOIB-GXIAVOKBSA-N 300.431 4.782 30 20 DJED C=CCN(C(=O)N[C@H](c1ccccc1)C1CCCC1)C(C)C 918085120 QOIJHMHEGPUCNI-GOSISDBHSA-N 300.446 4.524 30 20 DJED CC/C=C(/C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918608033 ARGDMDVUROEFKL-GDMVIRIFSA-N 304.393 4.637 30 20 DJED C#CCCCCc1nnc(-c2sc3ccccc3c2Cl)o1 1117183810 VTFONCAMVCVRIZ-UHFFFAOYSA-N 316.813 4.951 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C12CCC(CC1)CC2 1124937606 YIMYJIMPWXQNRU-UHFFFAOYSA-N 324.468 4.513 30 20 DJED CCCC[C@@H](C(=O)Nc1cc(C#N)ccc1OC(C)C)C(C)C 1125397966 BFEMWMVYQZVYDS-MRXNPFEDSA-N 316.445 4.746 30 20 DJED Cc1cc(C#N)ccc1CN1CCC(=Cc2ccccc2F)CC1 1168163346 LKOANDVCMNMJJN-UHFFFAOYSA-N 320.411 4.685 30 20 DJED N#Cc1cc(Cl)ccc1CN[C@H]1CCC[C@@H]1Cc1ccccc1 1169364766 FMBYBPGVUUZFQM-UZLBHIALSA-N 324.855 4.713 30 20 DJED CC(C)CC[C@H](NC(=O)Nc1ccc(C#N)c(F)c1)C(C)(C)C 1219030889 QKFUHYQEPIVSHU-INIZCTEOSA-N 319.424 4.670 30 20 DJED CC(C)CN(C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1)c1ccc(C#N)cc1 1264412721 MLPRUENWJZPFQL-LZLYRXPVSA-N 312.457 4.620 30 20 DJED CCCCCCCCCC(=O)Nc1ccc([S@](C)=O)cc1 1322111336 QBWVGBSSCSHNIT-NRFANRHFSA-N 309.475 4.503 30 20 DJED CC(C)(C)ON=C(Cc1ccccc1F)Cc1ccccc1F 1324558979 VSLQOBVVIXXNAG-UHFFFAOYSA-N 317.379 4.921 30 20 DJED COc1cc(O)ccc1/C=C\C(=O)c1cc2ccccc2s1 1325943907 OMWAVCBMUIJPAN-CLFYSBASSA-N 310.374 4.512 30 20 DJED CC(C)[C@H](CCc1ccccc1)C(=O)Nc1ccc(F)c(C#N)c1 1352456398 SWJKDGZQCDOBRH-SFHVURJKSA-N 324.399 4.541 30 20 DJED Cc1cc(Oc2ccc(Oc3ccccc3)cc2)ncc1C#N 1458061743 JYRISIQMPWFMDQ-UHFFFAOYSA-N 302.333 4.846 30 20 DJED CC(C)c1ccc2c(c1)[C@@H](Nc1ncc(C#N)cc1Cl)CC2 1458341370 NKTRWZGXTUOIDO-KRWDZBQOSA-N 311.816 4.829 30 20 DJED CC(C)c1ccc([C@H](C)CC(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1 1460798347 QUXIGEZMFRHWRO-JTDSTZFVSA-N 313.441 4.929 30 20 DJED CCCCN(Cc1cc(C#N)ccc1OC)[C@H]1CCC[C@@H](C)C1 1473510173 NXUZGGDPGBOPAP-APWZRJJASA-N 314.473 4.748 30 20 DJED N#Cc1cc(C(=O)OCc2ccc(-c3ccccc3)cc2)cs1 1529613973 RRNQDAKWKMFNOT-UHFFFAOYSA-N 319.385 4.644 30 20 DJED CCCc1ccc(C(=O)N(c2cccc(C#N)c2)C2CCC2)s1 1532438466 FUKLLMFHPWSFNQ-UHFFFAOYSA-N 324.449 4.772 30 20 DJED N#C[C@H](c1ccccc1)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 1559628055 QIDXRWHNTWNLCT-GHTZIAJQSA-N 315.420 4.612 30 20 DJED Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C(C)(C)C#N)cc2)c1 1583908594 LUZOYVLJDMJOKY-MRXNPFEDSA-N 320.436 4.596 30 20 DJED CC(C)[C@H]1CCc2ccccc2N1Cc1ccc(F)c(C#N)c1 1616950974 JBJJMHBXAOOULA-LJQANCHMSA-N 308.400 4.675 30 20 DJED CCC(CC)CN(CCC#N)C(=O)C[C@H]1CCCCC1(C)C 1632936164 GIDQAKCXHCGLJV-QGZVFWFLSA-N 306.494 4.771 30 20 DJED N#Cc1cccc(SCCc2ccc(OC(F)(F)F)cc2)c1 1640957300 MSHRQFGKRVPFFV-UHFFFAOYSA-N 323.339 4.792 30 20 DJED CC(C)(C)c1cnc(SCc2ccccc2C(C)(C)C#N)[nH]1 1644150209 AGFXOHKNXCANIG-UHFFFAOYSA-N 313.470 4.801 30 20 DJED CC(C)(C)c1ccc(C#N)c(N(CC2CCCCC2)C2CC2)n1 1655004424 PKRIJCLXURYVRX-UHFFFAOYSA-N 311.473 4.800 30 20 DJED CCOc1ccc(C#N)cc1NC[C@@H](C)c1cccc(Cl)c1 1657712568 CKDNKHIFGVBRSV-CYBMUJFWSA-N 314.816 4.826 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1coc2ccccc12 1663915939 GYKJVZWOHFTKIB-UHFFFAOYSA-N 304.393 4.717 30 20 DJED CC[C@H](C)c1ccc(C(=O)/C=C\c2cc(C(=O)O)c(C)o2)cc1 1776700029 PIODWQXLYSXBFK-PRDAAYKISA-N 312.365 4.696 30 20 DJED C=CCOc1ccc(CN[C@@H](C)c2ccc(Cl)cc2)cc1 21812094 MAKVNQRWBXXWOK-AWEZNQCLSA-N 301.817 4.756 30 20 DJED C=CCn1c(C)nnc1S[C@H](C)c1cccc2ccccc12 63415599 FQTFTBIXPARVAN-CYBMUJFWSA-N 309.438 4.779 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)/C=C/C2CCCCC2)n1 80450711 DFFPGDTUCVHEGW-MYSGNRETSA-N 302.443 4.579 30 20 DJED N#Cc1ccc(CN[C@H](Cc2ccccc2)c2cccs2)cc1 116923184 QOQHDGCTDDIBGG-LJQANCHMSA-N 318.445 4.693 30 20 DJED CC(C)COc1ccccc1NCc1ccc(O[C@H](C)C#N)cc1 119036828 QWEXGDBRHQHFCO-MRXNPFEDSA-N 324.424 4.624 30 20 DJED C=C(Cl)C[S@@](=O)Cc1ccc(Oc2ccccc2)c(F)c1 135156556 FTUSZPLYCXOZIV-NRFANRHFSA-N 324.804 4.619 30 20 DJED Cc1ccc(F)cc1C(=O)Nc1cc(C(C)(C)C)sc1C#N 154266354 CIPDRRAACZMXHW-UHFFFAOYSA-N 316.401 4.617 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1ccsc1 194102926 CGBKKYIGMMCEBR-UHFFFAOYSA-N 324.430 4.529 30 20 DJED Cc1cn2c(/C=C\C(=O)c3ccc(C)c(C)c3)c(C)nc2s1 206381783 DXLBAEAMFRZVCP-FPLPWBNLSA-N 310.422 4.526 30 20 DJED CC(C)[C@H]1CCCN(c2ccc(C#N)c(Br)c2)CC1 228188639 IAHMJWAEXPJOAQ-ZDUSSCGKSA-N 321.262 4.583 30 20 DJED Cc1cc(NCCCC2(C#N)CCOCC2)c2ccccc2c1 297142458 ZMPZIJRRLYIKDV-UHFFFAOYSA-N 308.425 4.661 30 20 DJED C[C@H](Sc1ccc2c(c1)OCCCO2)c1ccc(C#N)cc1 303685987 KJTPVQCPVJHYNA-ZDUSSCGKSA-N 311.406 4.573 30 20 DJED C[C@H](N[C@H](C)c1ccc2c(c1)CCCC2)c1ccc(C#N)cc1 319831632 NFQLFMCCDJVBDX-JKSUJKDBSA-N 304.437 4.849 30 20 DJED C[C@@H](CC(C)(C)c1ccccc1)Nc1cccc(OCC#N)c1 319855195 NXMUPTSUIXJADP-INIZCTEOSA-N 308.425 4.757 30 20 DJED C=CCC[C@@H](NCc1ncc(C)o1)c1ccc(C(F)(F)F)cc1 342205678 NDFPTDZQOMGQAL-OAHLLOKOSA-N 324.346 4.799 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CC[C@H](F)C1 351528154 CFBULDMNOPETBQ-GJZGRUSLSA-N 304.409 4.551 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CC1CCCCCC1 426971278 AYLJJTJOTFBHKB-UXHICEINSA-N 324.468 4.645 30 20 DJED CC(C)(C)c1cnc(SCc2ccc(C#N)cc2Cl)o1 438887612 RDXFPCMMZDKUQX-UHFFFAOYSA-N 306.818 4.789 30 20 DJED N#C[C@H]1CC[C@H](NCC2(c3cccc(Cl)c3F)CCCC2)C1 442860057 RNEOMSTZOPMDAS-KBPBESRZSA-N 320.839 4.573 30 20 DJED C=CC[C@H]1N(C(=O)Nc2scnc2C2CC2)CCCC1(C)C 444946841 ZIMCAHJGZJHKHQ-CYBMUJFWSA-N 319.474 4.619 30 20 DJED CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1Cl 452655949 SUMCCPDTJHRESC-KBPBESRZSA-N 304.821 4.561 30 20 DJED CCOCc1ccc(N[C@H]2CCCCc3cc(C#N)ccc32)cc1 481999545 HBMWETZIGWJFNL-NRFANRHFSA-N 320.436 4.974 30 20 DJED CC[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(Cl)s1 483708819 CKRYJOBUEDDRLL-ZDUSSCGKSA-N 308.809 4.653 30 20 DJED C=CCCCCCS[C@H](C)C(=O)Nc1ccccc1OC 485569312 GGIRJFXPNKZJCG-CQSZACIVSA-N 307.459 4.502 30 20 DJED C=C(C)CN(CC)C(=O)N[C@@H](CCCC)c1ccc(OC)cc1 503770325 NGDMYYYNSXEZNB-SFHVURJKSA-N 318.461 4.534 30 20 DJED N#Cc1cc(NCCC(c2ccccc2)c2ccccc2)ccn1 507958149 VQJPKUYELXCRRE-UHFFFAOYSA-N 313.404 4.587 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](Cc2ccccc2)C1 522833158 MZABQJNWRDDFNV-PXNSSMCTSA-N 304.437 4.574 30 20 DJED C=C[C@@H](CC(=O)N(C)c1cccc2cccnc12)c1ccccc1 546657651 LMMJLICVKTWDKT-INIZCTEOSA-N 316.404 4.558 30 20 DJED C=CCOc1cccc(CN[C@@H]2CCc3sc(Cl)cc32)c1 562066949 XVBQCHKXKVOGPJ-OAHLLOKOSA-N 319.857 4.743 30 20 DJED Cc1cc(N2CCCCCC2)ccc1N[C@H]1CCC[C@@H](C#N)C1 586795026 ZJSBIBIHDSWWDN-MSOLQXFVSA-N 311.473 4.870 30 20 DJED CC(C)[C@H](NC(=O)CCCCCC#N)c1ccccc1Cl 588460382 FSPRHNNFYRXZLB-KRWDZBQOSA-N 306.837 4.627 30 20 DJED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cnc2ccsc2c1 618805125 CZEXYQDUKFZZRB-SJKOYZFVSA-N 319.433 4.506 30 20 DJED O=C1/C(=C\c2cc(F)c(F)c(F)c2)Cc2c(Cl)cccc21 727973914 BWZMGJLCGQZDIC-WTKPLQERSA-N 308.686 4.580 30 20 DJED CC1(C)Cc2cc(/C=C/C(=O)c3c[nH]c4ccccc34)ccc2O1 729150579 OUVOWXJYYDFJFQ-VQHVLOKHSA-N 317.388 4.778 30 20 DJED C=CCN(C(=O)Nc1ccc(OC2CCCC2)c(F)c1)C(C)C 743214759 NGSWTUYDYGKVSB-UHFFFAOYSA-N 320.408 4.575 30 20 DJED C=CCN(C(=O)Nc1cccc(COC(C)(C)C)c1C)C(C)C 747576208 PMDITXJKEDLTOH-UHFFFAOYSA-N 318.461 4.738 30 20 DJED N#Cc1csc(/C=C2\CSc3c(Cl)cccc3C2=O)c1 748440574 NVPUNJQNOOVJKM-BJMVGYQFSA-N 317.822 4.645 30 20 DJED CC(=NNc1nccc2sccc12)c1ccc2ccccc2n1 749816195 YGFBWPYOMFNXOI-UHFFFAOYSA-N 318.405 4.681 30 20 DJED CCC(CC)(CC)SCC(=O)Nc1cc(Cl)ccc1C#N 762971588 RWSPQVDCHSYECO-UHFFFAOYSA-N 324.877 4.852 30 20 DJED CCc1ccc(C=NOCc2ccccc2C(C)(C)C#N)cc1 767825830 STLRZFRCBVPXOV-UHFFFAOYSA-N 306.409 4.601 30 20 DJED N#C[C@H]1CCC[C@H](Nc2cccc(COc3ccccc3)c2)C1 774283774 YBKNWUSRTBEQAC-WMZOPIPTSA-N 306.409 4.760 30 20 DJED CC(CCCC(F)(F)F)=NNc1ccc(Cl)c(C(=O)O)c1 774308929 IUEDCTPIOCNAJY-UHFFFAOYSA-N 322.714 4.559 30 20 DJED C#CC[C@@H](NCc1ccc(SC(F)F)cc1)c1ccccc1 775399151 PQANDFFDGYRVSS-QGZVFWFLSA-N 317.404 4.856 30 20 DJED O=C1/C(=C\c2ccc3cnccc3c2)CSc2ccccc21 782303634 NJPYFYSAJZMPSC-YBEGLDIGSA-N 303.386 4.607 30 20 DJED CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1coc(C)n1 788929519 VVMRFVXWAPRGOA-UHFFFAOYSA-N 318.591 4.779 30 20 DJED Cc1ccccc1[C@@H](C)OC(=O)C[C@H](CC#N)c1ccccc1 795994559 XTKSBTIRTFDMGV-AEFFLSMTSA-N 307.393 4.687 30 20 DJED N#C[C@H](C(=O)[C@H](F)CC1CCCCC1)c1ccc2ccccc2n1 796629524 QBTDUWQAYHPMNC-DLBZAZTESA-N 324.399 4.720 30 20 DJED C=C(C)COc1cccc(NCc2cc(C)nc(Cl)c2)c1 797593629 FRDAONOAJFCCOW-UHFFFAOYSA-N 302.805 4.610 30 20 DJED N#CCCCCCC(=O)OCc1ccc(-c2ccccc2)cc1 805695534 ZEUQXXZHKOIQIZ-UHFFFAOYSA-N 307.393 4.871 30 20 DJED O=C(/C=C\c1ccc(O)c(Cl)c1)c1c(F)cccc1Cl 809159272 MFQPFWOTYMLIRX-ALCCZGGFSA-N 311.139 4.734 30 20 DJED C=CC(C)(C)CC(=O)N(Cc1ccccn1)Cc1ccccc1C 900558170 WYQPJIQAQZXRSW-UHFFFAOYSA-N 322.452 4.521 30 20 DJED CC(=NN=C1c2ccccc2-c2ccccc21)c1scnc1C 915111162 AWINSTTZBZAULC-UHFFFAOYSA-N 317.417 4.694 30 20 DJED O=C(/C=C1\COc2ccc(F)cc21)c1ccc2ccccc2c1 918155897 YSGIRTKVHJBAKZ-MHWRWJLKSA-N 304.320 4.638 30 20 DJED CC(C)(C)c1n[nH]cc1/C=C\C(=O)c1cccc(C(F)(F)F)c1 918749561 YLMMIXAIYQAGQL-FPLPWBNLSA-N 322.330 4.622 30 20 DJED COc1cccc2cc(C(C)=NN[C@@H](C)c3ccccc3)oc12 920382598 JEDIAIUILUSRCK-ZDUSSCGKSA-N 308.381 4.516 30 20 DJED Cc1cc(Cl)cc(C)c1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 1118005672 KRKOXIZXSJFDDG-DLBZAZTESA-N 324.811 4.571 30 20 DJED CC1(C)C(C(=O)Nc2sc3c(c2C#N)CCCCC3)C1(C)C 1124215901 NFTRJJYPWIUYDM-UHFFFAOYSA-N 316.470 4.509 30 20 DJED CC[C@H](C(=O)N(c1ccc(C#N)cc1)C1CCC1)c1ccccc1 1131578830 KHNWTLAFTUADPU-FQEVSTJZSA-N 318.420 4.638 30 20 DJED CCN(Cc1ccc(Cl)cc1F)[C@H](C)c1ccc(C#N)cc1 1167129714 BFLILJOLXCLEBC-CYBMUJFWSA-N 316.807 4.934 30 20 DJED CCCCN(Cc1cc(C#N)ccc1OC)[C@@H](C)c1ccccc1 1191164505 FLKMNWTVVFJNQN-KRWDZBQOSA-N 322.452 4.930 30 20 DJED CC[C@@H](C)c1ccc([C@H](C)NCc2cccc(OCC#N)c2)cc1 1331296396 JHWANLTVZOKSBJ-SJORKVTESA-N 322.452 4.953 30 20 DJED C[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)CCc2ccc(Cl)cc21 1460342637 XODUVTOIHCBEAE-HUUCEWRRSA-N 324.855 4.934 30 20 DJED Cc1ccccc1[C@H](Nc1nccnc1C#N)[C@H]1CCC[C@H](C)C1 1472691199 PGVNSXLROHEBAU-URLQWDBASA-N 320.440 4.636 30 20 DJED N#CCC1(CN2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 1473165783 GYUXQPJGXVPXFK-KRWDZBQOSA-N 302.849 4.951 30 20 DJED Cc1ccc([C@@H]2CCC[C@H]2OC(=O)c2cc(C#N)ccc2C)cc1 1537897950 VODRMDGOQGZLPV-AZUAARDMSA-N 319.404 4.668 30 20 DJED COC[C@@H](SCc1ccc(Cl)cc1C#N)c1ccccc1 1559473458 VFFDBBXDAUMDOA-QGZVFWFLSA-N 317.841 4.833 30 20 DJED COc1ccc(Cl)cc1[C@H](CC(C)C)NCCC(C)(C)C#N 1559693349 FPTWXRZLBNIQNJ-INIZCTEOSA-N 322.880 4.965 30 20 DJED CCOc1ccc(C#N)cc1NCc1ccc(C)c(Cl)c1 1560497215 GARAOIIYLFGWKU-UHFFFAOYSA-N 300.789 4.531 30 20 DJED C[C@H]1C[C@@H](C)Cc2c1sc(NC(=O)C1(C)CCCC1)c2C#N 1588271635 TTWYCQIJPGOQEN-NEPJUHHUSA-N 316.470 4.824 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1ccc(C)c(Cl)c1 1621181282 SPGYUSVJPXECEV-UHFFFAOYSA-N 312.844 4.932 30 20 DJED CC[C@H](C)c1ccc([C@H](NC(=O)[C@@H](C#N)CC)C(C)C)cc1 1629402278 ZVSKLVJTTFTPJR-HDMKZQKVSA-N 300.446 4.563 30 20 DJED C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(F)(F)F 1643706748 ROQYDMRCYNFKFF-SNVBAGLBSA-N 308.328 4.663 30 20 DJED CC[C@H](C)c1ccc([C@H](Nc2cc(C#N)ncn2)C(C)C)cc1 1649490518 LFKZDQUNQKVDJN-IFXJQAMLSA-N 308.429 4.671 30 20 DJED N#Cc1cccc(C#N)c1Oc1ccc(OCC2CC2)c(Cl)c1 1651093029 QZSZWBKBAJBUML-UHFFFAOYSA-N 324.767 4.664 30 20 DJED CC(C)(C)C(C)(C)CNc1c(Br)cccc1C#N 1651884529 UZZPKSTZHWUTPN-UHFFFAOYSA-N 309.251 4.805 30 20 DJED CN(Cc1ccc(C#N)cc1Cl)[C@@H]1CCC[C@@H]1C(C)(C)C 1654775030 LDXFSWKDLVSTJO-DOTOQJQBSA-N 304.865 4.858 30 20 DJED CCN(c1ccc(NCc2ccc(C#N)c(C)c2)cc1)C(C)C 1657524341 NHGOIQSNGRXIRS-UHFFFAOYSA-N 307.441 4.714 30 20 DJED CCCc1c(N[C@@H](C)CC2CCC2)cnn1-c1cccc(C#N)c1 1664359776 ZNKICZSPCGZPKC-HNNXBMFYSA-N 322.456 4.687 30 20 DJED CCC[C@@H](C)CCCC(C)=NNc1ccc(C(=O)O)c(F)c1 1776076146 YYRHCBGKUBADGL-GFCCVEGCSA-N 308.397 4.918 30 20 DJED C[C@H](NCc1cccc(C#N)c1)c1ccc(OC(C)(C)C)cc1 156770160 ZUXLIGXLCYICOD-HNNXBMFYSA-N 308.425 4.586 30 20 DJED CC[C@@H](CC1CCCC1)C(=O)Nc1ccccc1O[C@H](C)C#N 182104853 AOCLPHSCEYURFQ-ZBFHGGJFSA-N 314.429 4.522 30 20 DJED CCCCC[C@](C)(CC)C(=O)Nc1ccccc1O[C@@H](C)C#N 189809400 ZKZJHZQNRSMEOS-KXBFYZLASA-N 316.445 4.913 30 20 DJED C=Cc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 192081377 KIKNXKBFPBLTFO-CQSZACIVSA-N 322.433 4.834 30 20 DJED O=C(/C=C\c1ccc(OCc2ccncc2)cc1)c1cccs1 206944968 MYTRLGZXWQWGBZ-YVMONPNESA-N 321.401 4.618 30 20 DJED N#CC1(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CCCCC1 236229112 XARWPHJFBUDBFG-UHFFFAOYSA-N 315.175 4.545 30 20 DJED N#Cc1csc(/C=C\C(=O)c2ccc(N3CCCCC3)cc2)c1 255661932 FHZJGVWVMLCXBK-HJWRWDBZSA-N 322.433 4.506 30 20 DJED N#CC1(C(=O)Nc2cc(C(F)F)ccc2Cl)CCCCC1 269127164 FQPYQYVIHCYJTQ-UHFFFAOYSA-N 312.747 4.690 30 20 DJED CCCCCCCCCC(=O)Nc1c(C(F)F)n[nH]c1C 272418706 GYAREGZQJDKAHZ-UHFFFAOYSA-N 301.381 4.735 30 20 DJED C=CCC[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccccc1 302179056 DEJJAURMHZQTLO-QGZVFWFLSA-N 307.353 4.586 30 20 DJED Cc1nc(C2(/N=C(/O)C[C@@H]3C=CCCC3)CCCCCC2)no1 330201944 YPUPAIUDTMROHV-OAHLLOKOSA-N 317.433 4.630 30 20 DJED Cc1cc([C@@H](C)/N=C(/O)Nc2sc(C)nc2C)c(C)s1 330608381 QFJPNNWWKKLXOL-MRVPVSSYSA-N 309.460 4.525 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1cc(C(C)C)oc1C 352636460 GUMPRCYHKYWCDY-UHFFFAOYSA-N 304.434 4.504 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1cc(C)c(Cl)cc1C 361878081 XIHDUBLBKVNDEI-UHFFFAOYSA-N 306.837 4.501 30 20 DJED CCC[C@]1(C)CCCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 426144808 WTTXZJJJBQIMGJ-QGZVFWFLSA-N 319.836 4.646 30 20 DJED CSc1ccccc1[C@H](C)Nc1ncc(C#N)cc1Cl 440646011 GMXFOICPUAKKTI-JTQLQIEISA-N 303.818 4.502 30 20 DJED C=CCC1(NCc2cnc(C(F)(F)F)s2)CCCCC1 449571935 HUSHCDZZRUJFKR-UHFFFAOYSA-N 304.381 4.531 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1cccc(C2CC2)c1 453244726 FKZCSUQNDCGGJT-UONOGXRCSA-N 308.400 4.987 30 20 DJED Cc1sccc1C(=O)Nc1sc2c(c1C#N)CCCCC2 459854228 POZOTEZAJYYLDC-UHFFFAOYSA-N 316.451 4.511 30 20 DJED C=C[C@H](CC(=O)Nc1ccc(Cl)c(OC)c1)c1ccccc1 468809636 DLMCGFZGVRTKQD-CYBMUJFWSA-N 315.800 4.647 30 20 DJED C[C@H](N[C@H]1CC[C@@H](c2cccc(F)c2)C1)c1ccc(C#N)cc1 479534423 WPINGXZTQXGSGC-QMIHWGKISA-N 308.400 4.684 30 20 DJED C[C@@H](NCc1ccccc1C(C)(C)C#N)[C@H](C)c1ccccc1 495401021 IEFREBMNMJNVQQ-DLBZAZTESA-N 306.453 4.770 30 20 DJED Cc1ccsc1CNc1ccc(Oc2ccnc(C#N)c2)cc1 514761263 JHJZJFVKLKOTCY-UHFFFAOYSA-N 321.405 4.728 30 20 DJED C=CC[C@@H](C)NC(=O)N[C@@H](CCc1ccccc1)c1ccccc1 523949275 RBOJYXPIFOUHLR-XLIONFOSSA-N 322.452 4.624 30 20 DJED C[C@H](NCc1ccc(F)cc1C#N)c1ccccc1C(F)(F)F 537156652 SRXIBQCGEFMBKD-NSHDSACASA-N 322.305 4.567 30 20 DJED C=CCCCCCN(C)C(=O)Nc1cc(SC)ccc1C 537254987 QLQYKIXCKUHTNZ-UHFFFAOYSA-N 306.475 4.927 30 20 DJED CN(C(=O)c1cccc(C2CCC2)c1)c1cc(Cl)ccc1C#N 544610479 PJSSGJSOBPSZFK-UHFFFAOYSA-N 324.811 4.756 30 20 DJED CC(C)(CCC#N)CN[C@@H]1CCc2c(Cl)cc(Cl)cc21 562042532 CEYNYFCUXXWPJH-OAHLLOKOSA-N 311.256 4.900 30 20 DJED CC(/C=C\c1ccc(C#N)cn1)=C\c1ccccc1OC(F)F 564552936 SWSYLXYOFYUCNW-WLPHGBIISA-N 312.319 4.671 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1coc2ccccc12 611276612 MEYKUVCMQUDMTI-WOJBJXKFSA-N 316.404 4.705 30 20 DJED CC(=NNc1ccc(C#N)cc1)c1ccc(SC(C)C)cc1 728425496 IISUJPXGAWCOJU-UHFFFAOYSA-N 309.438 4.895 30 20 DJED CCC/C(C)=C\C(=O)Nc1ccccc1S[C@H](C)CC#N 731333169 XLWJIQFNYVBYKZ-WUFNSSIPSA-N 302.443 4.766 30 20 DJED C#CCCOc1ccc(CNCc2ccc(C(C)(C)C)cc2)cc1 733326293 UZCKOUDTDFDXCI-UHFFFAOYSA-N 321.464 4.676 30 20 DJED CC(C)(C)CC(=NNc1ccc(Cl)nn1)c1ccc(F)cc1 734297836 XKEAAODJURYMIB-UHFFFAOYSA-N 320.799 4.522 30 20 DJED Cc1ccccc1[C@H](C)CC(=O)O[C@H](C)c1cccc(C#N)c1 734967319 ZSEXFMMOEFACSM-HZPDHXFCSA-N 307.393 4.665 30 20 DJED C=CCN(C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(C)C 741898095 CDYFDIQSPNBQMR-CABCVRRESA-N 312.240 4.520 30 20 DJED N#CCC1(COC(=O)c2ccccc2Sc2ccccc2)CC1 744277628 YQRDTMWTIWHKNO-UHFFFAOYSA-N 323.417 4.688 30 20 DJED Cc1cc(C)cc(NN=Cc2cc(C)n(-c3nccs3)c2C)c1 744743165 OJZUKFYFQZIUJI-UHFFFAOYSA-N 324.453 4.613 30 20 DJED COc1cccc(/C=C\C(=O)c2cc(Cl)sc2Cl)c1 744868611 AITASOZQZGPLIN-WAYWQWQTSA-N 313.205 4.960 30 20 DJED O=C(/C=C/C=C\c1ccccc1)c1cccc(OC(F)F)c1 746683259 BWHSDIMZBMOLRF-AGGGZFENSA-N 300.304 4.740 30 20 DJED CCCCCCCC(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 746884940 YQEIISBJHZBPFD-UHFFFAOYSA-N 313.445 4.993 30 20 DJED Cc1ccc2c(Cl)c(C(=O)O[C@H](C#N)C(C)C)sc2c1 747743787 SHXYCYCECHZTPP-LLVKDONJSA-N 307.802 4.568 30 20 DJED COc1cc(C)ccc1C(=O)/C=C/c1ccc(Cl)nc1Cl 761478935 SUXWHANSYLJRRB-QPJJXVBHSA-N 322.191 4.602 30 20 DJED C(=NNCc1cnc2ccccc2c1)c1cc2ccccc2s1 764778185 HLTQZHHZHYYVCJ-UHFFFAOYSA-N 317.417 4.573 30 20 DJED C=CC[C@H](N[C@@H](C)c1ccc(N(C)CC)cc1)c1ccncc1 766020950 RPTCWWAZYDDCKX-JXFKEZNVSA-N 309.457 4.506 30 20 DJED O=C(/C=C/c1cc(F)cc(C(F)(F)F)c1)c1ccsc1 772807769 SUNLLIUQVRWCTQ-OWOJBTEDSA-N 300.276 4.802 30 20 DJED C#CCOc1ccccc1NC(=S)Nc1ccc(C(C)C)cc1 774267603 WZKONWIVBVYJFO-UHFFFAOYSA-N 324.449 4.631 30 20 DJED C=CCC[C@H](C(=O)OCc1ccnc(Cl)c1)c1ccccc1 778552469 NFYTTYUXQMBTOR-INIZCTEOSA-N 315.800 4.528 30 20 DJED CC/C(C)=C(/C)C(=O)Nc1ccccc1SC[C@H](C)C#N 779924583 ABDZTUWIVVDTIU-HUTFPVNGSA-N 302.443 4.623 30 20 DJED Cc1cc(/C=C2\Cc3c(F)cccc3C2=O)cc2cccnc12 783709165 XYEJFSVNRPJRBA-XNTDXEJSSA-N 303.336 4.505 30 20 DJED O=C(/C=C\c1cnc(-c2ccco2)s1)c1ccccc1Cl 789127132 KPUXKUMETSFQSD-FPLPWBNLSA-N 315.781 4.953 30 20 DJED O=C1/C(=C/c2ccc(C(F)F)cc2)COc2c(F)cc(F)cc21 794936918 HDQDZMQQTXYOKN-VZUCSPMQSA-N 322.257 4.561 30 20 DJED COc1ccc(-c2nc(/C=C/C(=O)c3ccccc3)cs2)cc1 796969324 RMNOWMYSNLAKCG-FMIVXFBMSA-N 321.401 4.715 30 20 DJED C=C(C)CN1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=S 814290761 MKOCQVYRRJNTCF-OQLLNIDSSA-N 317.479 4.587 30 20 DJED C(=NN=C1c2ccccc2-c2ccccc21)c1ccc2oncc2c1 814779260 IOAWQZISUIWHQM-UHFFFAOYSA-N 323.355 4.680 30 20 DJED C[C@@H](CC(C)(C)C#N)OC(=O)c1cc(Cl)sc1Cl 851214551 RWWHJGZLRMPFFX-ZETCQYMHSA-N 306.214 4.540 30 20 DJED CC/C=C(\C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918608045 ARGDMDVUROEFKL-QEXPOGAPSA-N 304.393 4.637 30 20 DJED Cc1ccc2c(c1)C/C(=C/c1ccccc1C(F)(F)F)C2=O 921263910 KUILOWCPLZMQCB-ZROIWOOFSA-N 302.295 4.836 30 20 DJED C=C(C)CCC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 1122457449 QIHDRBIHEKBTIE-HNNXBMFYSA-N 310.422 4.651 30 20 DJED Cc1cc(NC2CCC(C)(c3ccccc3)CC2)ncc1C#N 1162799913 PALYMUSMANVVEU-UHFFFAOYSA-N 305.425 4.574 30 20 DJED COc1ccc([C@H](NCCC2(C#N)CCCCC2)C2CC2)cc1 1192585386 UMVXOWVIIANXCX-LJQANCHMSA-N 312.457 4.600 30 20 DJED Cc1cc(CN2CCC(c3cccc(Cl)c3)CC2)ccc1C#N 1205507301 UWCLYYNMNSQSCG-UHFFFAOYSA-N 324.855 4.900 30 20 DJED Cc1c(C(=O)O[C@H](C)c2cccc(C#N)c2)oc2ccccc12 1266016516 DOSJNVVQYBUVQN-CYBMUJFWSA-N 305.333 4.531 30 20 DJED C=C(Cl)CN(Cc1ccc2c(c1)OCO2)C1CCC(C)CC1 1307452915 QBTDHAXGHWEVKZ-UHFFFAOYSA-N 321.848 4.549 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCCc2c(F)cccc21 1307511262 VRGPNBWSTWEGHZ-UHFFFAOYSA-N 308.400 4.580 30 20 DJED CC(C)N(Cc1ccc(-c2ccccc2C#N)cc1)CC1CC1 1307541668 SBLPSEWNQTWFHD-UHFFFAOYSA-N 304.437 4.846 30 20 DJED C[C@@H](CCN(Cc1ccc(C#N)cc1)C1CC1)c1ccccc1 1308638899 KJVKVALHINOPNX-KRWDZBQOSA-N 304.437 4.716 30 20 DJED CCC(C#N)(CC)C(=O)Nc1nc2c(ccc3ccccc32)s1 1348719403 KUCVCVNHNAKAMW-UHFFFAOYSA-N 323.421 4.718 30 20 DJED CC(C)(C)c1ccc(C#N)c(NCCc2cccc(Cl)c2)n1 1458062383 KJQGZQKURAIKHO-UHFFFAOYSA-N 313.832 4.559 30 20 DJED C[C@@H]1C[C@H](OC(=O)c2cc3ccccc3n2CC#N)CC(C)(C)C1 1461858381 JSIBKTQBKODROW-ZBFHGGJFSA-N 324.424 4.536 30 20 DJED Cc1nsc(Oc2cc(C(F)(F)F)ccc2Cl)c1C#N 1472639470 ZBPMPAMDSZEBRM-UHFFFAOYSA-N 318.707 4.788 30 20 DJED Cc1ccc(C#N)cc1C(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 1529201583 OKESGNQQKQFWSY-IRXDYDNUSA-N 312.457 4.592 30 20 DJED CCC(C)(C)c1ccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 1534812542 MFDMOCABFOAKKT-HNNXBMFYSA-N 320.436 4.737 30 20 DJED Cc1c(Cl)cnc(N2CCC[C@@H]2/C=C/c2ccccc2)c1C#N 1559292360 NOCFSZOWXIWMBQ-ZNFPLGDCSA-N 323.827 4.597 30 20 DJED CC[C@@H](NCc1ccc(Cl)cc1C#N)c1ccc(F)cc1 1559671540 VJIMCPBZOIICPK-QGZVFWFLSA-N 302.780 4.592 30 20 DJED C[C@H]1CCC[C@@H]1NCCC(C#N)(c1ccccc1)c1ccccc1 1559749207 JCXNJUKZWRYTEH-RXVVDRJESA-N 318.464 4.665 30 20 DJED C=C(CNC(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C)c1ccccc1 1564882344 RBAQSZMYHDUKNV-WMZOPIPTSA-N 314.473 4.556 30 20 DJED Cc1cc(N(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)ncc1C#N 1612087475 UVIJRGWWILWKJL-ZIAGYGMSSA-N 313.832 4.544 30 20 DJED CC(C)(C)C[C@@H]1CCN(c2nc(Cl)c(C#N)s2)C1(C)C 1612606918 JYKVUIGOJMDTCC-JTQLQIEISA-N 311.882 4.709 30 20 DJED Cc1c(CN(C)CC(C)(C)C#N)sc2c(Cl)cccc12 1621353368 OKLGNWOEEVFVRL-UHFFFAOYSA-N 306.862 4.845 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@@H]1c1ccccc1 1621396839 UNXMDFIAVLOSML-FCEUIQTBSA-N 316.448 4.862 30 20 DJED N#C[C@H]1CC[C@@H](N[C@H]2CCCC[C@@H]2c2ccccc2Cl)C1 1621404854 ZCADLWNZXKBEAA-MMNPAVHPSA-N 302.849 4.648 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1cc2c(C)cccc2o1 1627312555 BREXIFKIQQIXDT-UHFFFAOYSA-N 312.413 4.533 30 20 DJED Cc1cnc(C)c(Nc2cccc(Oc3ccc(C#N)cc3)c2)n1 1639447295 TZDBMRWDUOVHKA-UHFFFAOYSA-N 316.364 4.501 30 20 DJED C=C(Br)COc1cccc(C(C)(C)C)c1Cl 1652084237 HTSBTQAGXJGEPX-UHFFFAOYSA-N 303.627 4.925 30 20 DJED Cc1ccc(Cl)c2c1N(CCc1ccc(C#N)cc1)CCC2 1653815879 SMKIAQSAPVGJNE-UHFFFAOYSA-N 310.828 4.515 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1CCC(=Cc2cccc(F)c2)CC1 1653827257 SDFCKVCZHHZYAB-INIZCTEOSA-N 320.411 4.938 30 20 DJED CC[C@@H](C)c1ccc(C(=O)/C=C/c2ccc(C(=O)O)c(O)c2)cc1 1776697697 NHJCNQWPFPXVJX-HQIZRNBFSA-N 324.376 4.500 30 20 DJED N#Cc1cc([N+](=O)[O-])ccc1SCc1cccc2ccccc12 58544038 FQQPEJJLRICGFD-UHFFFAOYSA-N 320.373 4.912 30 20 DJED Cc1ccsc1C(=O)Nc1sc(-c2ccccc2)cc1C#N 77687430 WYAQELAHAUEWNV-UHFFFAOYSA-N 324.430 4.909 30 20 DJED O=C(/C=C/c1ccc2c(c1)CCO2)c1cc2cc(Cl)ccc2o1 108312243 DVNPCIGGXXYVGA-DAFODLJHSA-N 324.763 4.917 30 20 DJED CCOc1cc(C)ccc1NCc1cccc(OCCCC#N)c1 119863897 GOLHGJAHYDXNHL-UHFFFAOYSA-N 324.424 4.688 30 20 DJED C#CCOc1ccc([C@H](C)N[C@H]2CCSc3ccccc32)cc1 155396920 GSMQVVDIEPQFFM-KXBFYZLASA-N 323.461 4.586 30 20 DJED Cc1oc2ccccc2c1CNc1ccccc1O[C@H](C)C#N 180836549 XZDFDWMHNGNGEM-CYBMUJFWSA-N 306.365 4.644 30 20 DJED CC(C)[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1F 181893694 XOOJYYFKMFGNRK-BFUOFWGJSA-N 314.379 4.884 30 20 DJED CC(C)c1ccc(NCc2ccc(N(C)CCC#N)cc2)cc1 236667975 KUQVXTIVSJEUKM-UHFFFAOYSA-N 307.441 4.772 30 20 DJED Cc1nc(COc2ccc(-c3ccc(C#N)cc3)cc2)cs1 301606696 UEGRAMDHXFKOMR-UHFFFAOYSA-N 306.390 4.569 30 20 DJED CCOCCC1(CNc2ccc3cc(C#N)ccc3n2)CCCC1 301979583 OWQUKCJDPWSOSZ-UHFFFAOYSA-N 323.440 4.505 30 20 DJED CC(C)(CC1CCCCCC1)/N=C(/O)[C@@H]1CCc2c[nH]nc2C1 329942415 CUVPMEWZIJLNOP-OAHLLOKOSA-N 317.477 4.610 30 20 DJED N#CC1(/C(O)=N/[C@@H]2CC[C@@H](c3cccc(F)c3)C2)CCCCC1 330118342 YJZNWTXWSQGUEN-NVXWUHKLSA-N 314.404 4.892 30 20 DJED C[C@@H]1C[C@@H](C(O)=Nc2nc3c(Cl)cccc3s2)CCC1=O 330138196 OFZJHQOGWZMXHB-BDAKNGLRSA-N 322.817 4.543 30 20 DJED CC[C@@H]1CCCN1C(O)=Nc1ccccc1S[C@@H](C)CC#N 330667920 JRUNASDLZHCAAT-UONOGXRCSA-N 317.458 4.501 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCCc2cc(F)ccc21 341897201 QMICHDONQJNZCM-SFTDATJTSA-N 320.411 4.742 30 20 DJED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cccc(F)c1F 341898375 SUWXHVTVJWUUCM-KPZWWZAWSA-N 312.363 4.565 30 20 DJED CC(C)(CCC#N)CN[C@H]1CCSc2c(Cl)cccc21 348209834 APKDQANHQURNQX-AWEZNQCLSA-N 308.878 4.796 30 20 DJED CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1ccc(C#N)cc1Cl 426142944 XFBLKWBRKHBVOG-WBMJQRKESA-N 319.836 4.644 30 20 DJED Cc1cc(NCc2cccc(C#N)c2F)ccc1-c1ccncc1 427424190 KVPCXYFPFYUKKL-UHFFFAOYSA-N 317.367 4.680 30 20 DJED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2csc(Cl)c2)s1 430602851 MDKIDQLOWXPSTR-SECBINFHSA-N 324.858 4.646 30 20 DJED CCC(CC)(C(=O)Nc1cccc(C#N)c1C)c1ccccc1 432331544 NXTPUBKUVUWTBD-UHFFFAOYSA-N 306.409 4.563 30 20 DJED Cc1ccc(C[C@H](C#N)Sc2nc(-c3ccccc3)co2)cc1 436255094 WVTGDHBRVSVMKQ-QGZVFWFLSA-N 320.417 4.877 30 20 DJED Cc1cc(C)cc(NC(=O)CS[C@H](C)c2cccc(C#N)c2)c1 443143147 IOZAUCDAQDTAMU-OAHLLOKOSA-N 324.449 4.608 30 20 DJED CC[C@H](C(=O)Nc1sc(C)c(C)c1C#N)c1ccc(F)cc1 460766220 FNTXVSMIDIZWAA-AWEZNQCLSA-N 316.401 4.508 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1cccc2ccsc12 464529376 PDYAKAPTTUGCSA-UHFFFAOYSA-N 313.447 4.791 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)[C@@H](C)c1ccc2ccccc2c1 471160833 OLKLYNPKRWACJB-INIZCTEOSA-N 322.452 4.874 30 20 DJED CC[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 476193252 DVQZLBZBXBMYNX-GTAWCEEGSA-N 324.468 4.501 30 20 DJED COc1ccc([C@H](CCC(C)C)NCc2cccc(C#N)c2)cc1 480798064 SGHKXQXNKCFZGU-NRFANRHFSA-N 322.452 4.834 30 20 DJED C=CCC[C@@H](C(=O)N[C@H](C)c1ccc(OC)cc1)c1ccccc1 487669656 VXZLSJHWBAXZTQ-OXQOHEQNSA-N 323.436 4.622 30 20 DJED C=CC[C@H](C(=O)Nc1ccccc1OCC1CC1)c1ccccc1 489014425 OQDZASDEZGVXLD-SFHVURJKSA-N 321.420 4.774 30 20 DJED CC(C)c1ccc([C@H](NC(=O)CC(C)(C)C#N)C(C)C)cc1 498882810 CWYLZBUUDVBECS-GOSISDBHSA-N 300.446 4.563 30 20 DJED C[C@H]1C[C@H]1c1ccc(CN(Cc2cc(C#N)cs2)C2CC2)o1 506565076 WXDWUFSLOCIDOQ-YVEFUNNKSA-N 312.438 4.501 30 20 DJED CC(C)Cc1ccc([C@@H](NCc2cccc(C#N)c2)C2CC2)cc1 508076043 AKSJHYQCZXKKHN-JOCHJYFZSA-N 318.464 4.998 30 20 DJED CC1(C)CC[C@H](NCc2ccc(C#N)cc2F)c2ccccc21 532570053 YEHROBXEFZYVPS-IBGZPJMESA-N 308.400 4.600 30 20 DJED C=C(C)[C@@H](CC(=O)Nc1cccc(-c2cccs2)c1)OCC 535882491 ILKRBFKKVZYOAO-MRXNPFEDSA-N 315.438 4.725 30 20 DJED N#C[C@H]1CC[C@H](N2CCC(c3cccc4ccccc34)CC2)C1 555334595 YHNILAAOLCDHTJ-LPHOPBHVSA-N 304.437 4.711 30 20 DJED C[C@@H](c1ccc(C(C)(C)C)cc1)[S@@](=O)CCC(C)(C)C#N 558468713 SNOBHJMUBGPMDD-QKKBWIMNSA-N 305.487 4.734 30 20 DJED CC(C)(C#N)CCN[C@@H](c1c(Cl)cccc1Cl)C1CC1 573253333 IVHFKQKNRAPTBJ-OAHLLOKOSA-N 311.256 4.974 30 20 DJED N#Cc1ccc2c(c1)[C@H](N[C@H]1C[C@H](c3cccc(Cl)c3)C1)CC2 576793579 RPSDAPLKQIFDQY-YVWKXTFCSA-N 322.839 4.735 30 20 DJED N#Cc1ccc(/C=C/c2nc(-c3cccc4ccccc34)no2)cc1 609475855 GXVWBWRAHGYOSB-OUKQBFOZSA-N 323.355 4.932 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1CCC(c2ccccc2F)CC1 609895335 MXOSPYZEACQWMU-HNNXBMFYSA-N 308.400 4.638 30 20 DJED CC(C)c1cccc(C(C)C)c1NC(=O)c1cc(O)cc(C#N)c1 614364141 HBYFOWTVIDWENW-UHFFFAOYSA-N 322.408 4.763 30 20 DJED CCCCCCC[C@@H](C)CNC(=O)N1CCC[C@H]1c1ccc[nH]1 734269094 FRMWLFAONDUNPD-AEFFLSMTSA-N 319.493 4.858 30 20 DJED O=C(/C=C/c1ccc(O)cc1)c1ccc(SC(F)F)cc1 734980178 ICUZWDMHOPDPKZ-XCVCLJGOSA-N 306.333 4.603 30 20 DJED Cc1c(C(=O)/C=C/C=C\c2ccccc2)cnn1-c1ccccc1 746684569 SDTLWRVSRWSFDI-MSDVTEOZSA-N 314.388 4.633 30 20 DJED C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)C1CCCC1 750687062 KCUUDKHLFGYCTH-CJNGLKHVSA-N 324.449 4.813 30 20 DJED Clc1cccc(C2CC(=NNc3nncc4ccccc34)C2)c1 753919141 SLFOVUSYRBLHSF-UHFFFAOYSA-N 322.799 4.629 30 20 DJED CC(=NNc1c(Cl)cccc1Cl)c1csc(C)n1 763187492 AOUHXKBRGKCXCW-UHFFFAOYSA-N 300.214 4.594 30 20 DJED CC(C)(CC#N)COC(=O)c1sccc1-c1ccc(F)cc1 764830480 USKIIEMOENZFEC-UHFFFAOYSA-N 317.385 4.651 30 20 DJED CCCCCCCC[C@@H](C)CC(=O)N1CCC(O)(CC)CC1 775538580 LPEJHIMGQCEPIU-QGZVFWFLSA-N 311.510 4.527 30 20 DJED CC(C)(C#N)CCOC(=O)c1c(Cl)ccc(Cl)c1Cl 776355317 NQZRGTAJIXOWCT-UHFFFAOYSA-N 320.603 4.743 30 20 DJED CC1(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)CCCCC1 781468859 HZTVAUDEKHNIBN-GFCCVEGCSA-N 316.401 4.582 30 20 DJED C[C@@H]1Sc2sccc2C(=O)/C1=C\c1scnc1C1CC1 782341825 LPBFKTVLGFWREB-OITNDJBGSA-N 319.476 4.843 30 20 DJED CCc1ccc(C(=O)/C=C/C(C)=C\c2cccc([N+](=O)[O-])c2)o1 787171240 JVVXOXAXOBLSFR-CYAIPPBNSA-N 311.337 4.593 30 20 DJED CC(C)n1nccc1/C=C/C(=O)c1ccc(-c2ccccc2)o1 794941262 MLJKPSVBLGXTIR-CMDGGOBGSA-N 306.365 4.620 30 20 DJED C#CCCCCC(=O)Nc1ccc(N2CCCCCC2)cc1C 803481679 XVTYHJAWXIMNRB-UHFFFAOYSA-N 312.457 4.508 30 20 DJED C[C@@H](Nc1nc(Cl)c(C#N)s1)c1ccc(F)cc1Cl 804464439 VOCJCYYBMUVJMK-ZCFIWIBFSA-N 316.188 4.634 30 20 DJED C/C(=C/C(=O)Nc1scc(C)c1C#N)c1ccccc1Cl 809005201 FBUFHCXQEVGQQQ-YFHOEESVSA-N 316.813 4.624 30 20 DJED C#Cc1cccc(NC(=O)c2ccc(SC(F)(F)F)cc2)c1 817842669 YMDLVYMVRPEHMF-UHFFFAOYSA-N 321.323 4.532 30 20 DJED CCCCCCCCOCc1nc([C@H]2CCOC(C)(C)C2)no1 834886623 DYSFSOSHPZJNFE-HNNXBMFYSA-N 324.465 4.619 30 20 DJED CCc1cccc(C)c1NN=C(C)c1ccc(C(F)F)nc1 853342453 FTAHNEXTKDHUPY-UHFFFAOYSA-N 303.356 4.726 30 20 DJED C#CCC(C)(C)c1nc(-c2ccc(-c3ccccc3)cc2)no1 904551708 XKNLAFHKROSTME-UHFFFAOYSA-N 302.377 4.705 30 20 DJED Cc1cccc(/C=C/C(=O)c2sccc2Br)c1 915113128 NENOJXCUXDRFGY-AATRIKPKSA-N 307.212 4.715 30 20 DJED CCOc1cccc2cc(C(=O)/C=C\c3ccc(OC)cc3)oc12 916130380 RREQMQWLEULHPU-XFXZXTDPSA-N 322.360 4.736 30 20 DJED CC(C)c1ccc(/C=C/C(=O)c2ccccc2F)cc1[N+](=O)[O-] 916135695 IGCKPWAOGZJQOR-CSKARUKUSA-N 313.328 4.753 30 20 DJED CCOc1cc(/C=C2\C(=O)c3ccccc3C2(C)C)ccc1OC 920070673 ZVRPIFCISSWYSV-SFQUDFHCSA-N 322.404 4.651 30 20 DJED Cc1ccc(C2(C(=O)Nc3sc(C)c(C)c3C#N)CCC2)cc1 1264023596 YWGFSVAFYUKYKL-UHFFFAOYSA-N 324.449 4.605 30 20 DJED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cc2ccccc2cc1C#N 1275734003 XGGXBKHPDWRUBQ-KDOFPFPSSA-N 306.409 4.866 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)C[C@H](C)CC(C)(C)C 1293650440 PQVLPXOCBDVTLK-AWEZNQCLSA-N 315.461 4.781 30 20 DJED CC[C@@H](Nc1ccc(OCC#N)cc1)c1ccc(Cl)s1 1320668963 CEKXLFSHNDVKKM-CYBMUJFWSA-N 306.818 4.867 30 20 DJED CC1(CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 1353489636 HJUIIGVZINOUFL-LJQANCHMSA-N 318.420 4.861 30 20 DJED Cc1nc(N(C)[C@H]2CCC[C@H]2C(C)(C)C)c(Cl)cc1C#N 1458444795 KJTJDQVZIRMLFM-HIFRSBDPSA-N 305.853 4.566 30 20 DJED CCC[C@@H]1CCCC[C@@H]1CNc1ncc(Cl)c(C)c1C#N 1472806175 LEDVHWVREYNZAN-ZIAGYGMSSA-N 305.853 4.934 30 20 DJED Cc1c(Cl)cnc(N2CC[C@@H](CC(C)(C)C)C2(C)C)c1C#N 1472832746 LIUJTUNRRSNEIC-ZDUSSCGKSA-N 319.880 4.956 30 20 DJED Cc1cccc(C)c1[C@@H](C)OC(=O)c1ccc(Cl)c(C#N)c1 1519678256 GIGSLPBNDZXKAK-CYBMUJFWSA-N 313.784 4.747 30 20 DJED C[C@@H]1CCC[C@H](CCN2CC=C(c3ccc(C#N)cc3)CC2)C1 1645154022 YFQRFUDJANQDBP-QZTJIDSGSA-N 308.469 4.864 30 20 DJED N#CCC[C@@H](Nc1nc2ccc(F)cc2s1)c1ccccc1 1651665042 YPEWNGJVROUUHI-CQSZACIVSA-N 311.385 4.892 30 20 DJED CC1(C)CCC(COc2ccc(Br)c(C#N)c2)CC1 1656930107 IKBWTNKOGRBSID-UHFFFAOYSA-N 322.246 4.916 30 20 DJED CCN(Cc1ccc(Sc2ccccc2)cc1)C[C@@H](C)C#N 1663929368 KCGOSYSCGDUYCW-INIZCTEOSA-N 310.466 4.819 30 20 DJED CCCOc1ccc(NCc2cc(C#N)cs2)cc1Cl 93687384 DGKODVHHWAFDGZ-UHFFFAOYSA-N 306.818 4.674 30 20 DJED CC[C@@H](C#N)Sc1nnc(-c2ccc(F)cc2)c2ccccc12 126966165 VHJFKPSSBLNXSS-AWEZNQCLSA-N 323.396 4.830 30 20 DJED N#Cc1ccc(/C=C(\Cl)c2nc3cc(F)c(F)cc3[nH]2)s1 176405948 XAKQXMWOGQERSE-OQFOIZHKSA-N 321.739 4.511 30 20 DJED CCCCCCC[C@@H](C)NC1CCC(O)(c2cccnc2)CC1 186458023 ZKVUTEMBWFIOSW-QHGAOEGBSA-N 318.505 4.550 30 20 DJED CCN(C(=O)c1ccccc1SC)[C@@H](C)c1ccc(C#N)cc1 192465478 KWPIXEMMYNJEHR-AWEZNQCLSA-N 324.449 4.503 30 20 DJED CC[C@H](c1ccccc1)N(CC)C(=O)Nc1ccc(CC#N)cc1 299450945 WMKRNVSHKYFKTP-LJQANCHMSA-N 321.424 4.758 30 20 DJED Cc1ccsc1[C@@H](Cc1ccccc1)Nc1ccc(C#N)nc1 301569199 LPEOZFWBVRTPHD-GOSISDBHSA-N 319.433 4.719 30 20 DJED N#Cc1ccc([C@@H](O)CSc2ccc(Cl)c(Cl)c2)cc1 402237106 FWWPTIQLGYUIJD-HNNXBMFYSA-N 324.232 4.691 30 20 DJED C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(C2CC2)cc1 417354527 MBRFOPFPIULSJG-SPLOXXLWSA-N 302.421 4.774 30 20 DJED CC(C)c1cccc(N(C)C(=O)[C@@H](C#N)CCc2ccccc2)c1 433321043 WLOBPCYMJPITMC-LJQANCHMSA-N 320.436 4.545 30 20 DJED CC(C)(C#N)CCCN(CCc1ccccc1)c1ccc(O)cc1 437893573 DGHGKNCZVZCKSN-UHFFFAOYSA-N 322.452 4.771 30 20 DJED C[C@H](C(=O)Nc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 471285017 CERFKDDYEMFVLU-JTQLQIEISA-N 319.191 4.607 30 20 DJED COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@@H](C)c1ccc(C#N)cc1 474056682 LSIDVFCIERRLFI-XOBRGWDASA-N 320.436 4.640 30 20 DJED CC[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 476193251 DVQZLBZBXBMYNX-GSEOLPGOSA-N 324.468 4.501 30 20 DJED C=C(C)[C@H](NCc1ccc2ncccc2c1)c1ccc(F)c(F)c1 479406170 BHSIAIZUVFQIEA-FQEVSTJZSA-N 324.374 4.920 30 20 DJED C=CC[C@H](C(=O)N(C)Cc1cc2ccccc2o1)c1ccccc1 489708648 WWUWZTMGWQNVJD-IBGZPJMESA-N 319.404 4.751 30 20 DJED C=C[C@H]1CCCCN1C(=O)N[C@H](C)c1cc2ccccc2s1 494905814 FLFMACRNYNLQGF-HIFRSBDPSA-N 314.454 4.712 30 20 DJED C=CCCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 513155457 WGVLRIOSEIFVJP-UHFFFAOYSA-N 318.376 4.913 30 20 DJED N#Cc1ccc2[nH]c(-c3ccc(-c4ccc(F)cc4)o3)nc2c1 515162348 GUTCXPHCKFWMRC-UHFFFAOYSA-N 303.296 4.501 30 20 DJED N#Cc1ccc(N[C@@H]2CCc3ccc(F)cc32)cc1C(F)(F)F 518296129 FVYCBNJJBXVBRC-MRXNPFEDSA-N 320.289 4.816 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1CC=C(c2ccc(F)cc2)CC1 522833364 ZGMKUOCTPAEMEF-HNNXBMFYSA-N 306.384 4.548 30 20 DJED C[C@@H]1CCCC[C@@H]1CC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 531202933 SZDVXEFDIQUAGL-RSPOEFSDSA-N 324.468 4.501 30 20 DJED C=C[C@H](CC(=O)NCC(C)(C)c1cccs1)c1ccccc1 535397287 MDXKHNXFCODTIJ-OAHLLOKOSA-N 313.466 4.502 30 20 DJED C=CCCCCNc1cccc(C[S@@](=O)c2ccccc2)c1 578846840 JBSCSKDUBOHQCK-JOCHJYFZSA-N 313.466 4.763 30 20 DJED CCCc1c(NCCCC(C)(C)C#N)cnn1-c1ccccc1 582877879 ZVEMIPMTQKXKHI-UHFFFAOYSA-N 310.445 4.567 30 20 DJED CCOc1cccc2cc([C@H](C)Nc3cc(C#N)cc(C)n3)oc12 587036363 XENJZHNEKKVSKF-ZDUSSCGKSA-N 321.380 4.580 30 20 DJED C=C(C)COc1cccc(NC(=O)c2ccc(Cl)cc2F)c1 589382739 ZFVNGQCBMOHNLN-UHFFFAOYSA-N 319.763 4.686 30 20 DJED Cc1ccc(Sc2ccc(NC(=O)C(C)(C)C#N)cc2)cc1C 603947283 CXFDOXGTOSITCH-UHFFFAOYSA-N 324.449 4.943 30 20 DJED C=CC[C@H](C)NC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 604906122 OTAAAPOYYSLRJJ-LBPRGKRZSA-N 322.836 4.748 30 20 DJED Cc1cc2cc(CN[C@@H](C)c3cccc(C#N)c3)oc2cc1C 610517196 OZIABJRJCDYDSW-HNNXBMFYSA-N 304.393 4.772 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NC1(c2cccc(Cl)c2)CC1 611474787 YULVAVCZUDAHCU-IBGZPJMESA-N 322.839 4.868 30 20 DJED C[C@@]1(C#N)CCCN(C(=O)C2(C3CCCCC3)CCCCC2)C1 612369475 KAUDOWRJDVHFNY-IBGZPJMESA-N 316.489 4.669 30 20 DJED C=CC[C@H]1CCCN(C(=O)Nc2ccccc2C(C)(C)C)C1 665163672 IPQCTBHEJSCPQV-HNNXBMFYSA-N 300.446 4.804 30 20 DJED C=CCCOc1ccccc1-c1ccc([C@@H]2NC(=O)C2(C)C)cc1 665192482 PGQGTNVGBQBELC-IBGZPJMESA-N 321.420 4.506 30 20 DJED CC(C)CC(=NNc1ncnc2sccc12)c1ccccc1 725819152 KPGSDAQSYHIEBH-UHFFFAOYSA-N 310.426 4.554 30 20 DJED CCCCCCC[C@@H](C)CNC(=O)N[C@H](C)c1c(C)noc1C 733803149 HPFTWQYXPNZPBV-ZIAGYGMSSA-N 323.481 4.648 30 20 DJED CC(=NOCc1ccc(F)c(F)c1)c1cc2ccccc2o1 735488453 NFKCMIWRKRTEGV-UHFFFAOYSA-N 301.292 4.652 30 20 DJED CSc1ccc2c(c1)CC/C(=C/c1ccc(N(C)C)cc1)C2=O 748145886 CKGJUYBYMQNUFK-VBKFSLOCSA-N 323.461 4.687 30 20 DJED CCCCCCCC(=O)N[C@@H](C)Cc1nc2ccccc2s1 751112719 DEISCUMZBBUZJW-AWEZNQCLSA-N 318.486 4.704 30 20 DJED CCCCCCCC(=O)N1CCC[C@H]1C[C@H](O)c1cccs1 751204424 ZACQRLKRUMWCJM-HOTGVXAUSA-N 323.502 4.523 30 20 DJED Cc1csc([C@H](C#N)C(=O)C[C@H]2C[C@H](C)c3c(C)cccc32)n1 753890841 BFRJPORWDMMKPE-JGGQBBKZSA-N 324.449 4.617 30 20 DJED N#Cc1ccccc1/C=C\C(=O)c1ccc(SC(F)F)cc1 755592309 HIOVMRLXHNNSNA-YFHOEESVSA-N 315.344 4.769 30 20 DJED Cc1sc(C(=O)O[C@@H](C#N)C(C)C)cc1-c1ccc(F)cc1 756266679 LOZZBZHWFDIKPA-HNNXBMFYSA-N 317.385 4.568 30 20 DJED C=C[C@H](CC(=O)Oc1ccccc1OC(F)F)c1ccccc1 759015190 MESHWLADZPISSW-CYBMUJFWSA-N 318.319 4.553 30 20 DJED Clc1ccc(Cl)c(NN=CCCC2CCOCC2)c1 764908344 JZZRDMSYEUXOHA-UHFFFAOYSA-N 301.217 4.598 30 20 DJED C#Cc1cccc(NC(=S)N[C@H](CCC=C)c2ccccc2)c1 771850929 RXANDCKHWRBBKM-LJQANCHMSA-N 320.461 4.662 30 20 DJED CC(C)Sc1cccc(Cl)c1/C=C/C(=O)c1cnccn1 782325505 MJKJUQPWDGVZKI-VOTSOKGWSA-N 318.829 4.527 30 20 DJED Cc1cc(/C=C2\CCOc3ccccc3C2=O)cc2cccnc12 783708636 ZOAAEPUAKGJSQY-GHRIWEEISA-N 315.372 4.592 30 20 DJED O=C(/C=C\C1=Cc2ccccc2OC1)c1csc(Cl)c1 787186960 UNMQNLYGMWOIEU-WAYWQWQTSA-N 302.782 4.616 30 20 DJED COc1cccc(N[C@H]2CCCCc3cc(C#N)ccc32)c1F 795818429 VJEWCMLAERUHML-INIZCTEOSA-N 310.372 4.586 30 20 DJED CC(C)Oc1ccccc1C=NOCc1cnc2ccccc2c1 799173886 HAWSNTCKOMOCHK-UHFFFAOYSA-N 320.392 4.573 30 20 DJED C/C(=C/c1ccc(Cl)cc1)C(=O)Nc1scc(C)c1C#N 809002114 ZAOBZFFIRWDZNI-YFHOEESVSA-N 316.813 4.624 30 20 DJED CC1(C)C[C@@H](NN=C2CCCC[C@H]2C2CCCCC2)CCO1 814908301 MWIBFZXJQZFNHR-IRXDYDNUSA-N 306.494 4.660 30 20 DJED COc1ccc(N[C@H]2CCCc3cc(C#N)ccc32)cc1SC 840773372 FGNSPVWBAGPOIC-KRWDZBQOSA-N 324.449 4.778 30 20 DJED CC(C)=CCC[C@H](C)CC(=O)[C@H](C#N)c1cnc2ccccc2n1 842775774 QBIRTHPLZDQWCC-JKSUJKDBSA-N 321.424 4.579 30 20 DJED C=C[C@@H](Cc1nc(-c2ccc(C)c(F)c2)no1)c1ccccc1 904339085 YAOCXDOYZGDQRO-AWEZNQCLSA-N 308.356 4.696 30 20 DJED CC(C)Oc1ccccc1/C=C/C(=O)c1cc(F)ccc1F 916134962 UYFDXDNSMNQIRT-JXMROGBWSA-N 302.320 4.648 30 20 DJED COc1ccc(Cl)cc1/C=C/C(=O)c1c[nH]c2ccccc12 917146256 XIIXDRGZRGEVST-SOFGYWHQSA-N 311.768 4.726 30 20 DJED CO[C@H](c1ccccc1Cl)[C@@H](C)Nc1cccc(F)c1C#N 1162944107 ZNNVTHOBSVSXOR-DIFFPNOSSA-N 318.779 4.539 30 20 DJED N#C[C@H]1CCCN(Cc2ccc(-c3ccc(Cl)cc3)cc2)C1 1233219883 KCOWBMXREPYWKZ-MRXNPFEDSA-N 310.828 4.743 30 20 DJED C[C@@H](CCC1CCCCC1)NC(=O)c1ccc(C#N)c(Cl)c1 1265150482 NSUCCISNMRERBP-ZDUSSCGKSA-N 318.848 4.690 30 20 DJED C[C@H](OC(=O)c1ccccc1C(C)(C)C)c1cccc(C#N)c1 1266016634 PHNXCLDWZFBANC-AWEZNQCLSA-N 307.393 4.774 30 20 DJED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNc1nc(C#N)c(Cl)s1 1306949770 UANRVKULPDZXAM-IJLUTSLNSA-N 311.882 4.788 30 20 DJED CC(C)[C@@H]1CCC[C@@H](NC(=O)CC2(C#N)CCCCC2)CC1 1435982320 XGKRHDQPLANAOG-IAGOWNOFSA-N 304.478 4.572 30 20 DJED CC[C@@H]1CCCC[C@@H]1C(=O)N(CC)c1ccc(C#N)c(Cl)c1 1458041594 ZWDCNJVLOKFZMT-CJNGLKHVSA-N 318.848 4.781 30 20 DJED C=C(CNC(=O)N[C@@H]1CCCCC12CCCC2)c1ccccc1 1470274782 YHWWVYGHVVKFFZ-GOSISDBHSA-N 312.457 4.502 30 20 DJED C[C@@H](OC(=O)c1ccc2ccccc2c1)c1cccc(C#N)c1 1518199371 UIKSMNXQMGJWIP-CQSZACIVSA-N 301.345 4.629 30 20 DJED Cc1sc(NC(=O)C(CC(C)C)CC(C)C)c(C#N)c1C 1521054950 AWGICVYVYQHHJX-UHFFFAOYSA-N 306.475 4.884 30 20 DJED Cc1cc(C#N)ccc1CSc1nc(-c2ccccc2)co1 1559404987 KSHLHULUMCBPMA-UHFFFAOYSA-N 306.390 4.814 30 20 DJED CCCC[C@@H](C)N(CCCC)C(=O)c1cc(C#N)ccc1F 1583517388 GIQBCMQMGVFTQR-CQSZACIVSA-N 304.409 4.518 30 20 DJED C[C@H]1CC[C@H](c2ccccc2)N(Cc2ccc(F)c(C#N)c2)C1 1643045332 RSPAXMHHSZNFQY-MGPUTAFESA-N 308.400 4.671 30 20 DJED C[C@H](N[C@@H]1CC[C@](C)(c2ccccc2)C1)c1cccc(C#N)c1 1658897376 KGICLRJJWKKFIJ-DQLDELGASA-N 304.437 4.719 30 20 DJED N#Cc1ccc(NCc2ccc(Cl)s2)c(C(F)(F)F)c1 36973535 RMLLMPHXZPFJIE-UHFFFAOYSA-N 316.735 4.904 30 20 DJED CCc1cc(C#N)c(NC(=O)[C@@H](C)c2ccc(Cl)s2)s1 175764010 JGGQFAVOYHLSAA-QMMMGPOBSA-N 324.858 4.639 30 20 DJED C=CCC[C@H](NCc1nc2ccccc2nc1C)c1ccccc1 180043263 RQAUJIGLLXCFBW-SFHVURJKSA-N 317.436 4.735 30 20 DJED CC(C)(CCC#N)CNCc1ccc(OC2CCCCC2)cc1 236818796 YJCCTAMEATXWBA-UHFFFAOYSA-N 314.473 4.818 30 20 DJED CC(C)(C)CCCCC(=O)N[C@H](CCC#N)c1ccccc1 342415162 TWOXUPMCXFKOLA-QGZVFWFLSA-N 300.446 4.754 30 20 DJED CCc1nc(CSCc2ccc(C#N)cc2Cl)cs1 438877969 MRBNQSHWULGWAV-UHFFFAOYSA-N 308.859 4.664 30 20 DJED C[C@@H]1C[C@H](c2cccc(F)c2)N(CCCCC(C)(C)C#N)C1 444642633 RQUDVCYJIGVNAX-CRAIPNDOSA-N 302.437 4.929 30 20 DJED C=CC[C@H]1N(C(=O)Nc2ccccc2CC)CCCC1(C)C 444815486 HOBLKULDOKXOTM-QGZVFWFLSA-N 300.446 4.848 30 20 DJED N#CCc1cccc(NCc2csc(C3CCCCC3)n2)c1 453143051 IOXDPOKWQFFJNZ-UHFFFAOYSA-N 311.454 4.869 30 20 DJED CO[C@H](CNc1c(Cl)cccc1C#N)c1cccc(Cl)c1 462959943 XKBQHYRYDVDAAJ-OAHLLOKOSA-N 321.207 4.665 30 20 DJED C[C@@H](c1ccc(F)c(Cl)c1)N(C)Cc1cccc(C#N)c1 498798667 ZBRHGXZBBZNWIO-LBPRGKRZSA-N 302.780 4.544 30 20 DJED CC(C)(CCC#N)CN1CCC[C@H]1Cc1ccccc1Cl 511104141 ANTCFRGFODXPRH-INIZCTEOSA-N 304.865 4.677 30 20 DJED CC(C)[C@H](CC(=O)N(CCC#N)CC(C)(C)C)c1ccccc1 524655477 UOMLPUWBBLAIKD-SFHVURJKSA-N 314.473 4.605 30 20 DJED CCCn1c(-c2cnc(C3CCC3)s2)nc2cc(C#N)ccc21 535357056 BRLQKKVYBOUFAV-UHFFFAOYSA-N 322.437 4.709 30 20 DJED Cc1ccsc1[C@H](Cc1ccccc1)N[C@H]1CC[C@@H](C#N)C1 561032857 CWFVLRGDRWFLQN-SQNIBIBYSA-N 310.466 4.622 30 20 DJED C/C=C/c1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1 561652472 RVVCDVVSHPBBRR-VBAWXRRRSA-N 304.393 4.746 30 20 DJED N#CCCCCCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 588146918 LMTPRBKWRQJSQV-UHFFFAOYSA-N 318.726 4.771 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1ccc2ccccc2c1 609187119 JNMHUJYRXLGKJK-UHFFFAOYSA-N 308.425 4.632 30 20 DJED N#CC1(CN[C@H]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 614995905 MBJCKYSELNFEST-WFASDCNBSA-N 309.240 4.523 30 20 DJED CC(C)CC[C@@H]1CCCC1=NNc1oc(C(C)C)nc1C#N 727257580 SPQKAAHYTLIQJF-ZDUSSCGKSA-N 302.422 4.674 30 20 DJED C=CCOc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1Cl 727263673 DVLOZBAOZIINEU-YCRREMRBSA-N 314.768 4.507 30 20 DJED N#Cc1ccc(N2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 728052639 UJKLSBUOZMHSDA-KRWDZBQOSA-N 316.326 4.919 30 20 DJED C=CCN(C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1)C(C)C 729616217 QWSMILBZKFNJKJ-KRWDZBQOSA-N 320.864 4.787 30 20 DJED CCCC(C#N)(CCC)NC(=O)c1cc2c(F)cccc2s1 730092327 FNVKUGUMOZTZGZ-UHFFFAOYSA-N 318.417 4.633 30 20 DJED CCCc1ccc(CNCc2cccc(O[C@@H](C#N)CC)c2)cc1 733800455 SREXRSPGCQLFRO-HXUWFJFHSA-N 322.452 4.610 30 20 DJED CCc1ccc(C(=O)/C=C/c2ccc(OCC(F)F)cc2)s1 741849045 SZAOUIKXYVMAAR-WEVVVXLNSA-N 322.376 4.851 30 20 DJED CCO[C@@H]1C[C@@H](/N=C\c2c(O)ccc3ccccc23)C12CCCC2 743044584 MHQXZRWUSXGZHQ-TWUBDUIWSA-N 323.436 4.702 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2cc(Cl)sc2Cl)cc1 744869271 VBNCUZXYVNAUCF-WAYWQWQTSA-N 308.189 4.823 30 20 DJED COc1ccc(O)c(C=Nc2ccc3nc(C4CC4)sc3c2)c1 746341006 ZLOHDRMSAJEHDL-UHFFFAOYSA-N 324.405 4.639 30 20 DJED COc1ccc(C=NNc2cccc3ccccc23)c(Cl)c1 747059861 CFVBBIBJEXTKJG-UHFFFAOYSA-N 310.784 4.948 30 20 DJED CCCCCCCCCC(=O)N1CCC[C@H]1c1cn(C)nc1C 759466513 QQIGCQIKKMHGCG-SFHVURJKSA-N 319.493 4.533 30 20 DJED CC(C)(C#N)CCCCOC(=O)/C=C\c1ccc2ccccc2n1 768396403 ZHACHXOUSOTOGN-QXMHVHEDSA-N 322.408 4.511 30 20 DJED C[C@@H](Nc1ccc(N(C)C)c(Cl)c1)c1ccc(C#N)c(F)c1 777646742 HBFNMHSRYLQEAC-LLVKDONJSA-N 317.795 4.590 30 20 DJED O=C1/C(=C/c2ccc(C(F)F)cc2)CCOc2ccc(F)cc21 794936367 DVGIQRMTGUUMGK-UKTHLTGXSA-N 318.294 4.812 30 20 DJED C=CCC(C)(C)C(=O)OCc1coc(-c2ccc(Cl)cc2)n1 796461447 HJNMTCGECHZKIK-UHFFFAOYSA-N 319.788 4.641 30 20 DJED CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)[C@H](C#N)c1ccccn1 796780006 GEQWVJHSXDSCHI-CXIVCQEWSA-N 324.468 4.891 30 20 DJED C#Cc1ccc(CN[C@H](C)c2cc3cccc(OCC)c3o2)cc1 809603017 HEADSCIOORSQML-OAHLLOKOSA-N 319.404 4.664 30 20 DJED CC[C@H](C)CCCCC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842944127 IWRMNTCSSMXMRO-GXTWGEPZSA-N 304.459 4.803 30 20 DJED COc1ccc(/C=C2\Cc3ccccc3C2=O)c2ccccc12 915981828 ZDEYBUAVFZDEHS-DTQAZKPQSA-N 300.357 4.671 30 20 DJED FC(F)(F)c1cccc(NN=Cc2ccc3ncccc3c2)c1 916259629 AULQRTJGUAXSBI-UHFFFAOYSA-N 315.298 4.700 30 20 DJED N#Cc1ccc(/C=C\c2ccc(SC(F)(F)F)cc2)nc1 917146530 PXVVVVHTHMBEEP-KTAJNNJTSA-N 306.312 4.736 30 20 DJED COc1c(Cl)cc(Cl)cc1/C=C1/Cc2ccccc2C1=O 921261943 LVHUPHHCDPMKNH-XFFZJAGNSA-N 319.187 4.824 30 20 DJED N#Cc1ccc(SCC(=O)c2ccc3ccccc3c2)cc1 1188650276 KTQSHORRRCUONN-UHFFFAOYSA-N 303.386 4.686 30 20 DJED CCC[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1OC(F)F 1193648872 JMAFPMCDGDKDRI-GDBMZVCRSA-N 322.399 4.608 30 20 DJED CCCC[C@H](C(=O)Nc1cc(C#N)cn1C(C)(C)C)C(C)C 1264743396 FCBOPVBKUNGTSP-HNNXBMFYSA-N 303.450 4.516 30 20 DJED CC[C@H](CN(CC)Cc1ccc(C#N)c(OC)c1)c1ccccc1 1308705630 VWDXSNOZJIYCTF-GOSISDBHSA-N 322.452 4.583 30 20 DJED CSCc1ccc(NC2CC(C#N)(c3ccccc3)C2)cc1 1324344076 IABBDAKIIOVJTP-UHFFFAOYSA-N 308.450 4.585 30 20 DJED N#Cc1csc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)c1 1328391412 VULAGJWCICNTMR-UHFFFAOYSA-N 322.176 4.644 30 20 DJED C#C[C@@H](NCc1csc(C(C)C)n1)c1ccc(Cl)cc1F 1343320724 ABWCEOAUUNYTDF-OAHLLOKOSA-N 322.836 4.523 30 20 DJED C[C@H](CCC(C)(C)C)C(=O)Nc1sc2c(c1C#N)CCCC2 1348365441 QVHURZRBQQFJQA-GFCCVEGCSA-N 318.486 4.899 30 20 DJED CC[C@H](CSc1ccccc1)Nc1ncc(C#N)cc1Cl 1458268167 OIKICDORYHLKOB-CYBMUJFWSA-N 317.845 4.589 30 20 DJED CC(C)(CCC#N)CNc1cc(-c2cccc(Cl)c2)ncn1 1458417282 WUZPRMZEXHFWPC-UHFFFAOYSA-N 314.820 4.539 30 20 DJED C[C@H](OC(=O)CC1(C#N)CCCCC1)c1cccc(Cl)c1F 1458565268 OTPHHHSYALNXDG-LBPRGKRZSA-N 323.795 4.947 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)CC1(C#N)CCCCC1 1532980532 ZLILOFSEAUZNNP-HZPDHXFCSA-N 304.478 4.572 30 20 DJED CCCN(C(=O)c1ccc(C)c(C#N)c1)[C@H](CC)c1ccccc1 1533156096 SGVUNBBCQMJNLE-HXUWFJFHSA-N 320.436 4.870 30 20 DJED CC[C@](C)(CNc1ccc(Oc2ccccc2)c(C#N)c1)OC 1560779455 OKFISXVVIFPGOE-LJQANCHMSA-N 310.397 4.578 30 20 DJED C[C@H](CCC#N)CNc1ccc(Oc2ccccc2)c(C#N)c1 1560779674 VBGJPHBYLDVSJQ-OAHLLOKOSA-N 305.381 4.702 30 20 DJED N#Cc1nc(Nc2cccc(CC(F)(F)F)c2)sc1Cl 1612055175 UXECULYWPLWQJE-UHFFFAOYSA-N 317.723 4.517 30 20 DJED CC(C)CCN(CCC#N)CCSc1cccc(Cl)c1 1615743943 LGHNINLZVOUWCM-UHFFFAOYSA-N 310.894 4.694 30 20 DJED N#Cc1c(F)cccc1CN1CCC[C@H]1c1cccc(Cl)c1 1621162590 CHEGJOPJWABPRM-SFHVURJKSA-N 314.791 4.688 30 20 DJED N#Cc1nc(Oc2cc(Cl)ccc2Cl)sc1Cl 1639160108 GUBVRGFSSONMKI-UHFFFAOYSA-N 305.573 4.767 30 20 DJED N#Cc1cccc(Nc2cccc(CCCc3ccccc3)c2)n1 1639406909 OBJYHGBGXHJXOI-UHFFFAOYSA-N 313.404 4.872 30 20 DJED N#CCOc1ccc(CN2CCC[C@@H]2CCC2CCCC2)cc1 1644947184 QUGYODKFSQYMCU-LJQANCHMSA-N 312.457 4.524 30 20 DJED N#Cc1c(F)cccc1CN1CCC(=Cc2cccc(F)c2)CC1 1652383301 QNPGKDFQRVDQBN-UHFFFAOYSA-N 324.374 4.516 30 20 DJED CCc1ccc([C@H](NCc2ccc(F)cc2C#N)C(C)C)cc1 1653698903 RIZIVKQNOFIOFW-HXUWFJFHSA-N 310.416 4.747 30 20 DJED C=C(Cl)CN[C@@H](c1ccc(Br)cc1)C1CCC1 1653925891 ZZCMSNGHXGMTTB-CQSZACIVSA-N 314.654 4.632 30 20 DJED Cc1ccc2sc(N(CCC#N)CC(C)(C)C)nc2c1C 1655341186 NNIJPNJINKYSAV-UHFFFAOYSA-N 301.459 4.679 30 20 DJED Cc1nc(N[C@H](c2ccc(Cl)cc2F)C(C)C)ccc1C#N 1655362751 VYVNGAOLINKEJZ-KRWDZBQOSA-N 317.795 4.863 30 20 DJED COc1ccc(C#N)cc1NCC1CCC(c2ccccc2)CC1 1658799904 QAHKYLGZMHOZFU-UHFFFAOYSA-N 320.436 4.953 30 20 DJED CC(C)C[C@]1(C)CCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 1667341387 FSSMGOABOAMCLC-KRWDZBQOSA-N 319.836 4.644 30 20 DJED CC1(C)CC(=NNc2ccc(C(=O)O)c(F)c2)CC(C)(C)C1 1776075084 MFDRNLURFJUVNM-UHFFFAOYSA-N 306.381 4.528 30 20 DJED Cc1cc(C)c(NC(=S)Nc2cccc(C#N)c2)c(Cl)c1 7325769 LXFYCQSKLMYACQ-UHFFFAOYSA-N 315.829 4.637 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)c2ccc3ccccc3c2)n1 80452529 AITMUALBZKNVLY-MRXNPFEDSA-N 320.417 4.910 30 20 DJED CCOc1cc(/C=C\C(=O)c2ccc(C)o2)cc(Cl)c1OC 96930433 DRZGIAQVQSWVBX-SREVYHEPSA-N 320.772 4.545 30 20 DJED C[C@H](N[C@@H]1CCc2sc(Cl)cc21)c1ccc(C#N)cc1 123278643 XLEJQNCYCIATFT-IINYFYTJSA-N 302.830 4.611 30 20 DJED C=CCN(Cc1cccs1)C(=O)C[C@@H](C=C)c1ccccc1 128685915 DJAAVCIIABQSRL-MRXNPFEDSA-N 311.450 4.623 30 20 DJED CC(C)[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccccc1 135107390 YZAYPLUXDOXCAD-HXUWFJFHSA-N 306.453 4.975 30 20 DJED C[C@@H](NC[C@H](c1ccccc1)C(F)(F)F)c1cccc(C#N)c1 186846711 MOJXIKRBTMFKRH-CXAGYDPISA-N 318.342 4.555 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2cccc(-c3cccnc3)c2)cc1 255307686 BQRJHIQFPBFMBF-FLIBITNWSA-N 310.356 4.516 30 20 DJED Cc1cc(C)cc(N=C(O)C2CCC(/N=C(/O)C3CC3)CC2)c1 329982274 AAZIHOKRNHBSOA-UHFFFAOYSA-N 314.429 4.817 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@H]2NCc1coc2ccccc12 340423517 DUCDZGQFVYCPBT-HXUWFJFHSA-N 316.404 4.862 30 20 DJED Cc1ccc(C)c(NC(=O)[C@@H](SCCC#N)c2ccccc2)c1 413011308 ISIGWVPTIDHXSE-SFHVURJKSA-N 324.449 4.630 30 20 DJED Cc1occc1CN(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 425366350 PLDVLLQLXXNHJB-LBPRGKRZSA-N 322.330 4.521 30 20 DJED Cc1ccc(-c2nc(CNc3cccc(C#N)c3C)cs2)o1 431332897 LVJIZUVGBXDIPN-UHFFFAOYSA-N 309.394 4.504 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1ccccc1COC(C)(C)CC 439380202 ABVASWRDLZALBS-INIZCTEOSA-N 318.461 4.868 30 20 DJED N#C[C@H]1CC[C@@H](Nc2cccc(Cl)c2SCC(F)F)C1 442851750 GJAJMCSTSVZQHU-VHSXEESVSA-N 316.804 4.801 30 20 DJED Cc1c(CN[C@H]2CC[C@@H](C#N)C2)sc2ccc(Cl)cc12 442854313 KSHHAAKIGUEAKI-YPMHNXCESA-N 304.846 4.645 30 20 DJED C=CCNc1ccc(C)c(Oc2ncccc2Br)c1 447889662 RNIQCYBBBKVSJB-UHFFFAOYSA-N 319.202 4.543 30 20 DJED C=CCCN(C)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 466414653 BGNFOMZLYPFDRJ-UHFFFAOYSA-N 322.836 4.701 30 20 DJED N#CC[C@H](CC(=O)Nc1cccc2ccsc12)c1ccccc1 476487544 FDOANBZRXOVMTB-MRXNPFEDSA-N 320.417 4.927 30 20 DJED CCCCn1ncc(N[C@@H](C)c2ccc(C#N)cc2)c1C(C)C 477923440 ANGNCQZWWGQQSN-HNNXBMFYSA-N 310.445 4.851 30 20 DJED C=CCN(Cc1cccs1)C(=O)[C@@H](C)SC1CCCCC1 480230498 LRYYEKWFEKNNMR-CQSZACIVSA-N 323.527 4.717 30 20 DJED C[C@H](c1ccccc1F)N(C)Cc1ccc(Cl)cc1C#N 480521799 DLNHNMRXIVYPNM-GFCCVEGCSA-N 302.780 4.544 30 20 DJED C=CC[C@@H](C(=O)Nc1nc2ccccc2s1)c1ccccc1 487648959 RVLVVHSKLHKREA-CQSZACIVSA-N 308.406 4.595 30 20 DJED Cc1ccc([C@H]2CCCCN2c2ncc(C#N)cc2Cl)cc1 487656638 OATXNTQXFZNJOP-QGZVFWFLSA-N 311.816 4.647 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)c1sccc1C1CC1 504766147 RBAAOSMHBPHIQR-UHFFFAOYSA-N 315.413 4.593 30 20 DJED N#CCCN(CC1CC1)C(=O)c1ccc(C2CCCCC2)cc1 505206893 HFGMAORCIZHYSW-UHFFFAOYSA-N 310.441 4.500 30 20 DJED C[C@H](CC1CCCCC1)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 510068635 FBAGCWYDBPRKRU-MRXNPFEDSA-N 324.468 4.656 30 20 DJED CC(C)c1ccc(SCC(=O)Nc2ccccc2CC#N)cc1 516993670 BZUZERXXVZLIDQ-UHFFFAOYSA-N 324.449 4.607 30 20 DJED C=C(C)COc1cccc(NCc2cc3ccccc3nc2O)c1 532726993 MRQYPLNZCFVCPX-UHFFFAOYSA-N 320.392 4.507 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC(C)(C)C1 535918811 SBGLTFYXYWZIDX-GOSISDBHSA-N 312.457 4.512 30 20 DJED C=C(C)CN(CC)C(=O)c1sc(C2CCCCC2)nc1C 539295562 NREKHGRDUBQGNS-UHFFFAOYSA-N 306.475 4.537 30 20 DJED C=CCC1(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)CCC1 555374419 JUQWRPWGYXJTPB-UHFFFAOYSA-N 322.408 4.904 30 20 DJED N#CCC[C@@H](C#N)CN[C@H](c1ccc(Cl)cc1)C1CCCC1 573794339 GRSLHVUXPZRYRO-KSSFIOAISA-N 315.848 4.604 30 20 DJED C=CCNC(=O)Nc1ccc(NC/C(C)=C/c2ccccc2)cc1 604068522 WUNDQRPUFHTOJG-JQIJEIRASA-N 321.424 4.510 30 20 DJED Cc1ccc2[nH]c3c(c2c1)CN(c1ccc(Cl)cc1C#N)CC3 609149808 WALCXACQCZJKLP-UHFFFAOYSA-N 321.811 4.564 30 20 DJED Cc1ccc(-c2cc(CSCc3cccc(C#N)c3)on2)cc1 609236484 KGCAYVYNCWKSOA-UHFFFAOYSA-N 320.417 4.955 30 20 DJED Cc1ccc(C(=O)/C=C\c2cccc(OCCCC#N)c2)c(C)c1 726741298 DTMYBTZJKXHJOP-LUAWRHEFSA-N 319.404 4.882 30 20 DJED CC(C)Oc1ccccc1C=NOCc1ccc(Cl)s1 727470157 FOFHNCKDVYQTCD-UHFFFAOYSA-N 309.818 4.739 30 20 DJED C#Cc1cccc(N(C(=O)C[C@@H]2CCc3ccccc32)C(C)C)c1 734392424 QJFFHYVJNIVVAY-IBGZPJMESA-N 317.432 4.529 30 20 DJED N#Cc1ccc(CN[C@@H]2CCCc3c2sc2ccccc32)cc1 765016530 VVWSIFMVARMIST-GOSISDBHSA-N 318.445 4.940 30 20 DJED C=CC[C@@H](N[C@H](C)c1ccc2ccccc2n1)c1ccncc1 766019732 MVAZYUGVXVDZDM-DNVCBOLYSA-N 303.409 4.598 30 20 DJED COc1c(Cl)cc(NCC(C)(C)CCC#N)cc1Cl 770552188 FZJRTAGZQDIQBV-UHFFFAOYSA-N 301.217 4.744 30 20 DJED CC[C@H](Nc1ccc2c(c1)OC(C)(C)O2)c1ccc(C#N)cc1 774323646 OJQPPJRKABJBMM-INIZCTEOSA-N 308.381 4.629 30 20 DJED C#CC[C@H](NC(=O)Nc1cccc(SC)c1C)c1ccccc1 775398135 XMTSAJALGBSXHC-KRWDZBQOSA-N 324.449 4.603 30 20 DJED CC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1cc(Cl)ccc1O 775511112 BOWCTPFVSOKWQO-SJKOYZFVSA-N 314.816 4.719 30 20 DJED C=CCSc1ccccc1C(=O)NCc1c(C)cccc1C 776868180 HZIZORUKADLPPP-UHFFFAOYSA-N 311.450 4.512 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCc1ccc2c(c1)COC2 777936094 YOBJFDXGDQAAFZ-AWEZNQCLSA-N 324.449 4.723 30 20 DJED COc1cccc(/C=C/C(=O)c2cc3ccccc3s2)c1OC 780188291 IEYKCWDSIBCOTB-ZHACJKMWSA-N 324.401 4.815 30 20 DJED Cc1ccc(N[C@@H](C)c2ccc(OCC#N)cc2)cc1OC(C)C 786942450 WGCVDVPFKFUVDN-INIZCTEOSA-N 324.424 4.858 30 20 DJED C/C=C(\CC)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 789349407 XMWRAKBASGCKQZ-LCCUQNOHSA-N 310.422 4.651 30 20 DJED O=C(/C=C\c1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1 916127584 NHTQFACRHWVYFR-DAXSKMNVSA-N 312.237 4.880 30 20 DJED C=CCN(C(=S)Nc1ccc(Cl)c(Cl)c1)C(C)C 917589397 VOQPTNLXUJFPOA-UHFFFAOYSA-N 303.258 4.587 30 20 DJED C=CCN(C(=O)N[C@@H](Cc1ccccc1)c1ccccc1)C(C)C 918058945 BHRQKDIPWMOZSI-FQEVSTJZSA-N 322.452 4.576 30 20 DJED CC(C)c1nccn1Cc1cccc(N[C@@H](C)CC(C)(C)C#N)c1 925764363 YSTVQEVJTOSPEO-INIZCTEOSA-N 324.472 4.795 30 20 DJED C=C[C@H](CC)CC(=O)N1CCC[C@H]1c1nc2ccccc2s1 929552430 MMGKFNOUEFBUAI-HIFRSBDPSA-N 314.454 4.562 30 20 DJED C=C(Cl)CNC(=O)c1csc(-c2ccc(Cl)cc2)c1 1136865666 UOGHWJPVFOVXCG-UHFFFAOYSA-N 312.221 4.551 30 20 DJED Cc1ccc(C#N)c(NC2CCC(C)(c3ccccc3)CC2)n1 1162799867 MRONCQZCZATXSZ-UHFFFAOYSA-N 305.425 4.574 30 20 DJED Cc1ccc(F)cc1Oc1c(Br)cccc1C#N 1163076644 YKSGRGIYMXEHGQ-UHFFFAOYSA-N 306.134 4.561 30 20 DJED CCSc1ccccc1COc1ccc(C#N)c(Cl)c1 1166013509 YLFUFVRVQRCUTL-UHFFFAOYSA-N 303.814 4.903 30 20 DJED N#C[C@H](Cc1ccccc1)Sc1nc2cc(F)ccc2s1 1166812194 ZGINCBGTZUXQHU-ZDUSSCGKSA-N 314.410 4.662 30 20 DJED CC(C)CN(CCCc1cccc(F)c1)c1ccc(C#N)cc1 1167844083 OEVUSCUBQKBPTD-UHFFFAOYSA-N 310.416 4.793 30 20 DJED Cc1cc(CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)ccc1C#N 1181598164 DIHUHOYDBUWOPR-BHDDXSALSA-N 316.448 4.635 30 20 DJED N#Cc1ccc(CN(CCc2ccccc2)C2CCCC2)s1 1190864788 KZHZLVQYMLSJDU-UHFFFAOYSA-N 310.466 4.607 30 20 DJED Cc1cc(CN2CC[C@H](c3ccccc3)C2(C)C)ccc1C#N 1206327729 DQWUEOBFDMSBTD-HXUWFJFHSA-N 304.437 4.635 30 20 DJED CC(C)CC[C@H]1CCCCN1C(=O)CC1(C#N)CCCCC1 1266142242 JBBGZCCOOIHIDY-QGZVFWFLSA-N 304.478 4.668 30 20 DJED CC(C)(C)C[C@H](NC(=O)c1cccc(C#N)c1)c1ccc(F)cc1 1355519665 XSUWFFPAUIHEEM-SFHVURJKSA-N 324.399 4.605 30 20 DJED C[C@@H](C(=O)Nc1cc(F)cc(C#N)c1)c1ccc2ccccc2c1 1438461764 FSBCEIFLEHIQEF-CYBMUJFWSA-N 318.351 4.593 30 20 DJED C[C@H]1CCCC[C@@H]1CC(=O)N(c1ccccc1C#N)C1CCC1 1461560404 SFPNMMDCIXLPQF-JKSUJKDBSA-N 310.441 4.660 30 20 DJED Cc1nsc(N[C@@H]2CCCc3ccc(C(C)C)cc32)c1C#N 1472749383 WIBACNAZPXCPJG-QGZVFWFLSA-N 311.454 4.936 30 20 DJED COc1cccc([C@H](C)SCc2cc(C#N)ccc2OC)c1 1473004345 RHHPQXVZLWQVTF-ZDUSSCGKSA-N 313.422 4.570 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc2c(c1)CCCC2 1474185189 NKCRJAXTBBTNSZ-QFIPXVFZSA-N 316.448 4.604 30 20 DJED C[C@H](OC(=O)[C@H]1CCC[C@H]1c1ccccc1)c1cccc(C#N)c1 1518199341 QMWFVTJRMHCJKY-YSSFQJQWSA-N 319.404 4.746 30 20 DJED C[C@@H]1CC[C@H](C(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@H]3C)C1 1527032044 GTXHSZSQCRMSFS-LPWJVIDDSA-N 316.470 4.680 30 20 DJED CCCCN(C(=O)c1ccc(C)c(C#N)c1)[C@@H](C)c1ccccc1 1532403138 ONTUFSLTJKYBAD-KRWDZBQOSA-N 320.436 4.870 30 20 DJED CCC(C)(C)c1ccc(COC(=O)c2cccc(C#N)c2C)cc1 1583541667 ZADHIQMOMPFCHI-UHFFFAOYSA-N 321.420 4.911 30 20 DJED Cc1cccc(C)c1CN(Cc1cccc(C#N)c1)CC(C)C 1618766867 IXEPSOGZECGHFV-UHFFFAOYSA-N 306.453 4.833 30 20 DJED Cc1c(C#N)cccc1NCc1cc(Cl)cc2cccnc12 1620955230 XDRDSDOUMPFVCN-UHFFFAOYSA-N 307.784 4.680 30 20 DJED C[C@@H](Sc1cccnc1C#N)c1ccc(Br)cc1 1651983706 DEFJEBISPKSWLM-SNVBAGLBSA-N 319.227 4.569 30 20 DJED CC[C@@H](CN(Cc1ccc(C#N)cc1)C(C)C)c1ccccc1 1658863540 OSMINONXFKVINW-FQEVSTJZSA-N 306.453 4.962 30 20 DJED CCC(C)(C)c1ccc(N[C@@H](C)CC2(C#N)CCOCC2)cc1 1659668842 AEBLLCYSNBQQSW-INIZCTEOSA-N 314.473 4.885 30 20 DJED Cc1ccccc1[C@@H](NC(=O)Nc1cccc(C#N)c1C)C(C)C 1669298100 ZOUKLTBPUCTCJD-IBGZPJMESA-N 321.424 4.694 30 20 DJED CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(CC(C)C)cc2)cc1 96792620 UCTZMJUMTUCRBU-JYRVWZFOSA-N 321.420 4.740 30 20 DJED C#Cc1cccc(NC(=O)N2CCCCC[C@@H]2c2ccc(C)o2)c1 151815993 RHWOGABSLCZDAE-GOSISDBHSA-N 322.408 4.719 30 20 DJED Cc1[nH]c2ccccc2c1C1CCN(CCC(C)(C)C#N)CC1 157744010 UQMPAXRECYVUGT-UHFFFAOYSA-N 309.457 4.596 30 20 DJED N#Cc1cccc(Cl)c1N[C@H]1CCO[C@@H](c2ccccc2)C1 160584201 AIHZOAURFHSPSS-DOTOQJQBSA-N 312.800 4.544 30 20 DJED CCCCCC[C@H](C)C(=O)Nc1ccccc1O[C@@H](C)C#N 182054358 ZQXAMKUMLGUTES-GJZGRUSLSA-N 302.418 4.522 30 20 DJED Cc1cc(C#N)ccc1CN[C@@H](C)c1cccc(OC(C)C)c1 186319604 FIRQYBRBEZXUOG-INIZCTEOSA-N 308.425 4.505 30 20 DJED Cc1cc(C)c(CNCc2cccc(OCCCC#N)c2)c(C)c1 237818833 DSYBGJYPLWAXCS-UHFFFAOYSA-N 322.452 4.584 30 20 DJED Cc1nc(-c2ccccc2F)sc1C(=O)/C=C\c1cccnc1 255186835 SHEAAAOOJHWVGX-HJWRWDBZSA-N 324.380 4.549 30 20 DJED C[C@@H](Nc1ccc2cc(C#N)ccc2n1)c1ccc(F)cc1F 301828475 QIXAQUXSDMXKRW-LLVKDONJSA-N 309.319 4.558 30 20 DJED N#Cc1ccccc1OCc1cc(Cl)ccc1Br 311143951 UJVDEZWRDBQZEC-UHFFFAOYSA-N 322.589 4.553 30 20 DJED C[C@@H]1C[C@H](C/C(O)=N/[C@H]2CCC(O)=NC23CCC3)CC(C)(C)C1 328745218 OHHAKKUCXWBDPA-KFWWJZLASA-N 320.477 4.837 30 20 DJED CCC(CC)N(C(=O)c1cc(C#N)oc1C)c1cccc(C)c1 439141233 MLDDTKPYRHRLIV-UHFFFAOYSA-N 310.397 4.604 30 20 DJED Cc1ccc([C@@H](NC2CCC(C)(C#N)CC2)c2ccccn2)cc1 449295570 TUEONRGGALVWRR-VEDCXYSMSA-N 319.452 4.542 30 20 DJED CC(C)C[C@@H]1CCCCCN1C(=O)Nc1cccc(CC#N)c1 455925244 XBNQOKYHXRDHCW-SFHVURJKSA-N 313.445 4.575 30 20 DJED CC#CCCCC(=O)N(CCC)[C@@H](C)c1cc2ccccc2o1 464447946 UKJDSZDSAJNSKT-INIZCTEOSA-N 311.425 4.926 30 20 DJED C=C[C@](C)(CC)C(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 468281941 NJJHGILMGCCHMK-MLGOLLRUSA-N 313.363 4.527 30 20 DJED C=CC[C@H](C(=O)N(C)CC1(c2ccccc2)CC1)c1ccccc1 474201918 ZHNDOBNDYXOZFX-FQEVSTJZSA-N 319.448 4.537 30 20 DJED C=CCC(CC=C)C(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 485517102 GVZHVDQOLLJKLU-NJYVYQBISA-N 323.480 4.940 30 20 DJED N#CCn1c(/C=C\c2ccc(Cl)c(F)c2)nc2ccccc21 486073268 GPBNUGRZDIBCHE-VURMDHGXSA-N 311.747 4.523 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1cccc(C(F)(F)F)c1C 488959563 COZNDPQWNMTTTO-GFCCVEGCSA-N 312.335 4.586 30 20 DJED C=CCOc1ccc(CN(Cc2cncs2)C(C)(C)C)cc1 506045820 LLJDCCXAXXOIJH-UHFFFAOYSA-N 316.470 4.509 30 20 DJED N#Cc1ncccc1SCc1nc(C2CCCCC2)cs1 519565546 XTVGCRNAXVUTEF-UHFFFAOYSA-N 315.467 4.750 30 20 DJED N#Cc1cccc(Oc2ccc(NC(=O)CC3CCCC3)cc2)c1 520918626 KERRIELQWOGIGB-UHFFFAOYSA-N 320.392 4.869 30 20 DJED C=C1CCN(C(=O)c2cc(C)c(-c3ccc(F)cc3)s2)CC1 521727292 PWMYJPHEUBALQY-UHFFFAOYSA-N 315.413 4.655 30 20 DJED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C2CCCCCC2)cc1 524572470 AMBWZIGGYYACIA-GOSISDBHSA-N 312.457 4.635 30 20 DJED CC(C)[C@@H](NCc1cc(C#N)ccc1F)c1ccc(Cl)cc1 533230216 XPDVKGORZMDKNW-GOSISDBHSA-N 316.807 4.838 30 20 DJED C=CCC(C)(C)C(=O)N(Cc1ccccc1Cl)CC1CC1 560594595 DQPOAUVNRQHMAW-UHFFFAOYSA-N 305.849 4.681 30 20 DJED CCC[C@@H](NC[C@@H](C#N)CCC#N)c1ccc(Cl)c(Cl)c1 569920020 CDVMTFXHIHGGIK-MLGOLLRUSA-N 324.255 4.868 30 20 DJED CC(C)[C@@H](CNC(=O)CCCCCC#N)c1ccc(Cl)cc1 588167137 VYAHXLTYQAXMRD-QGZVFWFLSA-N 320.864 4.670 30 20 DJED Cc1cc(F)c(-c2cccc(C3(C#N)CCOCC3)c2)c(F)c1 596642542 KZHBOFMFNWNRJM-UHFFFAOYSA-N 313.347 4.512 30 20 DJED CC(C)Sc1ccccc1N[C@@H](C)CC1(C#N)CCOCC1 602497251 IYPIINGJDMCOAU-HNNXBMFYSA-N 318.486 4.698 30 20 DJED CCCCN(C(=O)c1cccc(CC#N)c1)[C@H](C)c1ccccc1 603739141 FSNBJALJKXGCAI-QGZVFWFLSA-N 320.436 4.756 30 20 DJED N#Cc1c(F)cccc1SCc1ccc(Br)cc1 604474876 SGFBSHUBYPBDBO-UHFFFAOYSA-N 322.202 4.752 30 20 DJED C=C[C@H](CC(=O)NC1(Cc2ccccc2)CCC1)c1ccccc1 677569870 OHFRUIWTBOENCV-LJQANCHMSA-N 319.448 4.628 30 20 DJED O=C(/C=C\c1cccc(C(F)(F)F)c1)c1ccc2c(c1)COC2 742434700 LGWGLCGUSAGRJR-DAXSKMNVSA-N 318.294 4.632 30 20 DJED CCO[C@H](CC/N=C\c1cc(Cl)cc(Cl)c1O)C(C)C 746393933 MMYODXXCTKFAFA-BBSXFRJVSA-N 318.244 4.569 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)C[C@H]2CCC[C@@H](C)C2)n1 747194354 YYESKPWJMYTYOQ-RDBSUJKOSA-N 304.459 4.659 30 20 DJED C[C@H](CC=NNc1cccc(C(F)(F)F)n1)c1ccccc1 755740891 YRPAZGWVLJNRGN-GFCCVEGCSA-N 307.319 4.692 30 20 DJED C#CC[C@H](NC(=O)Nc1cccc2ccccc12)c1ccccc1 756921959 MIIXGMAJCRQYIN-IBGZPJMESA-N 314.388 4.726 30 20 DJED CCCCCCCCCN(C)C(=O)c1ccc(CC#N)cc1 758629823 KWZBMLGSLZOZKJ-UHFFFAOYSA-N 300.446 4.575 30 20 DJED CCc1ccc(C=NOCc2nc(Cl)ccc2Cl)cc1 764933826 AHUXAPSSFGWDGV-UHFFFAOYSA-N 309.196 4.502 30 20 DJED C#CCCCCCC(=O)OCc1ccc(Cl)c2cccnc12 780257373 AKUVHXCTXDZYDB-UHFFFAOYSA-N 315.800 4.515 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc(Cl)cc2F)c(F)c1 782199981 KSWVMVWFSWHBSG-CLTKARDFSA-N 308.711 4.523 30 20 DJED CC(C)C[C@@H](C(=O)OCCCC(C)(C)C#N)c1ccccc1 783790071 XKQQDRKLGNUVLA-QGZVFWFLSA-N 301.430 4.689 30 20 DJED C[C@@H](ON=C(c1ccccc1)C(F)(F)F)c1cccc(C#N)c1 784671045 JFNZTRXOMDVQDX-GFCCVEGCSA-N 318.298 4.602 30 20 DJED O=C(/C=C\c1c(Cl)nc2cc(Cl)ccn12)c1ccccc1 794692145 SGAYXUFTYVIJAI-SREVYHEPSA-N 317.175 4.537 30 20 DJED C=C(C)CCc1noc(-c2ccc(C3SCCS3)cc2)n1 795768037 QHCQNZJZFYKJHJ-UHFFFAOYSA-N 318.467 4.724 30 20 DJED Cc1ccc(C)c2c1CC/C(=C/c1cn(C(C)C)nc1C)C2=O 798370873 ZVLRAFQSLJYBJS-YBEGLDIGSA-N 308.425 4.602 30 20 DJED CC(C)(C)[C@@H](Nc1nc(Cl)c(C#N)s1)c1ccccc1 804539724 NWHOZTCTCJSMDJ-LBPRGKRZSA-N 305.834 4.867 30 20 DJED C=CCCCCCCN[C@H](C)c1ncc(Br)s1 806167572 AHMZZPCUYCOBCW-LLVKDONJSA-N 317.296 4.693 30 20 DJED Cn1ncc(C2CC2)c1/C=C/C(=O)c1ccc(Cl)c(Cl)c1 849241331 CWWKPFLGWXLZKA-VOTSOKGWSA-N 321.207 4.500 30 20 DJED N#CC1(CCCCSCc2ncc(Cl)s2)CCC1 901784697 ZMAKSBSQHAZFAV-UHFFFAOYSA-N 300.880 4.894 30 20 DJED C=CCCCCC[C@@H](C)N[C@@H](C(=O)O)c1ccc(C)c(C)c1 901846167 UEFNJWIELAZGPH-SJLPKXTDSA-N 303.446 4.544 30 20 DJED Oc1cccc(C=Nc2ccc3oc4ccccc4c3c2)c1O 920946226 ULSRNRSJQYIBKO-UHFFFAOYSA-N 303.317 4.748 30 20 DJED Cc1ccc(N[C@@H](C)CC(C)(C)C#N)cc1NC(=O)C(C)(C)C 926088732 KAXVJHYIIQKPCR-AWEZNQCLSA-N 315.461 4.720 30 20 DJED C[C@@H](Nc1ccc(OCC#N)cc1)[C@H](C)c1ccc(Cl)cc1 1116878424 XINSMIYSARJIDC-UONOGXRCSA-N 314.816 4.846 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)CC/C=C/c1ccccc1 1129983540 FIEKQELJGBBBAN-SCBHQAGPSA-N 318.420 4.571 30 20 DJED Cc1ccccc1SC[C@H](C)CSc1ccc(C#N)cn1 1188613149 ZCYWCNIZGGQVBW-ZDUSSCGKSA-N 314.479 4.782 30 20 DJED COc1cc(CN2C[C@@H](C(C)(C)C)c3ccccc32)ccc1C#N 1205569177 RHPFMYAULAGLEK-GOSISDBHSA-N 320.436 4.717 30 20 DJED C[C@H](CCc1ccccc1)N[C@H]1CCCc2cc(C#N)ccc21 1206329223 UFZDBCCBMYZOPF-IERDGZPVSA-N 304.437 4.547 30 20 DJED CCC(CC)[C@H](NC(=O)c1ccc(CC#N)cc1)c1ccccc1 1264510362 OHOOCIBTYBHTQU-FQEVSTJZSA-N 320.436 4.660 30 20 DJED Cc1ccc(C[C@@H](C)Nc2nc(C)c(C#N)cc2Cl)c(C)c1 1306970720 SKXCBYOEERMBCY-CYBMUJFWSA-N 313.832 4.575 30 20 DJED CCCN(Cc1ccc(C#N)cc1)c1nc2cccc(C)c2s1 1306996282 NAHRQLOAEHRACL-UHFFFAOYSA-N 321.449 4.893 30 20 DJED N#Cc1cnc(Sc2nc3cccc(F)c3s2)c(Cl)c1 1307196186 XZUCTTCIOUQABN-UHFFFAOYSA-N 321.789 4.507 30 20 DJED N#Cc1cccc(-c2nnc(-c3c(Cl)cccc3Cl)o2)c1 1345950125 WAXZXMJVVIRAST-UHFFFAOYSA-N 316.147 4.582 30 20 DJED N#Cc1cccc(Sc2ccnc(-c3cccc(Cl)c3)n2)c1 1458236720 IRJXLKUZRHCGBY-UHFFFAOYSA-N 323.808 4.820 30 20 DJED C[C@@H]1CN(CCC2(C#N)CCCCC2)CC[C@H]1c1ccccc1 1473193630 QRGUOUYBXLPNDT-UYAOXDASSA-N 310.485 4.976 30 20 DJED CCc1cc(C#N)c(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)s1 1526349292 YDZXORBREODIEL-MGPQQGTHSA-N 316.470 4.727 30 20 DJED C[C@H]1C[C@H](CC(=O)Nc2cc(C#N)c(F)cc2F)CC(C)(C)C1 1532500008 WQNUHXYWECDYPL-NWDGAFQWSA-N 320.383 4.627 30 20 DJED CC[C@](C)(C#N)C(=O)Nc1cccc(Oc2ccc(C)cc2C)c1 1532541286 GNHCCZSQFVOKME-HXUWFJFHSA-N 322.408 4.974 30 20 DJED CCC(CC)CN(CCC#N)C(=O)CC[C@H](C)c1ccccc1 1543034586 JAAQNWBGWKYCCU-KRWDZBQOSA-N 314.473 4.749 30 20 DJED CCC(C#N)(CC)C(=O)N(C)c1ccc2c(c1)oc1ccccc12 1543715537 QBXGJJFCLFRWES-UHFFFAOYSA-N 320.392 4.879 30 20 DJED N#Cc1cnc(N2CCC[C@@H]2CCC2CCCCC2)c(Cl)c1 1559139255 QTQWMAQTXFDKTN-MRXNPFEDSA-N 317.864 4.936 30 20 DJED C[C@@H]1C[C@@H](c2ccccc2)N(c2nc(C(C)(C)C)ccc2C#N)C1 1612362390 NPZGGCUYEBTGMT-QAPCUYQASA-N 319.452 4.838 30 20 DJED N#Cc1cccc(OCCN(c2ccccc2F)C2CCCC2)c1 1615989156 XRWQPYQNCJCZQC-UHFFFAOYSA-N 324.399 4.525 30 20 DJED Cc1ccccc1C1(CNCc2ccc(C#N)cc2)CCCCC1 1620762173 KMAVQQSHDGZMPJ-UHFFFAOYSA-N 318.464 4.858 30 20 DJED Cc1ccc(CNc2cccc(C#N)n2)c(Oc2ccccc2)c1 1639610857 OLLYBCSBKGQZRN-UHFFFAOYSA-N 315.376 4.666 30 20 DJED C[C@H](Cc1ccc2c(c1)CCCC2)Nc1ccc(CC#N)cc1 1652146847 ZIGWTTYLDSOPMQ-MRXNPFEDSA-N 304.437 4.675 30 20 DJED Cc1cc(Br)ccc1CSc1cccc(C#N)c1 1652689692 ZHXMLMHPTRLBJA-UHFFFAOYSA-N 318.239 4.922 30 20 DJED N#Cc1ccc(CN[C@@H](Cc2ccccc2)c2ccccc2)cc1 15025056 WAEYLMNHYGUFHB-QFIPXVFZSA-N 312.416 4.632 30 20 DJED C#Cc1cccc(NC(=O)N(C)[C@H](C)c2ccccc2Cl)c1 47399963 OXQGVGKVGOYRSK-CYBMUJFWSA-N 312.800 4.546 30 20 DJED C=CCC(CC=C)C(=O)N1CCC[C@H]1c1ccc(OCC)cc1 121574142 UVRGYQFLJMDXAN-IBGZPJMESA-N 313.441 4.517 30 20 DJED C=CCCC(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(C)C 192163496 BDGSWIOXYIAHKJ-UHFFFAOYSA-N 317.820 4.554 30 20 DJED O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 206980011 UAZPMHVUMQLMSA-KMKOMSMNSA-N 321.254 4.510 30 20 DJED C[C@@H](C#N)Oc1ccc(CNCc2ccc(C(C)(C)C)cc2)cc1 237701386 GAEBKARVFGIPCK-INIZCTEOSA-N 322.452 4.565 30 20 DJED CC(C)(C#N)CCC[S@](=O)Cc1cccc(Cl)c1Cl 278089384 OUOACSPLYUYFKY-IBGZPJMESA-N 318.269 4.572 30 20 DJED N#C[C@@H]1CC[C@H](N2CCC(Sc3ccc(Cl)cc3)CC2)C1 292721048 APXOAECJSUAKSQ-HIFRSBDPSA-N 320.889 4.589 30 20 DJED C=CCCCCCCNC(=O)c1c(C)cccc1Br 311824054 NUVNBPIWWUKBFA-UHFFFAOYSA-N 324.262 4.624 30 20 DJED CC[C@@H](CC#N)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 317060283 XETPRKNOHZKMDM-LBPRGKRZSA-N 324.268 4.506 30 20 DJED CC(C)Cc1ccc([C@H](C)Nc2ccc(OCC#N)cc2)cc1 319912448 AYAGJJOLDQGWEI-INIZCTEOSA-N 308.425 4.961 30 20 DJED OC(=Nc1ccc2c(c1)oc1ccccc12)[C@@H]1C[C@]12CCOC2 329603458 LIGATIQMRONWIX-KXBFYZLASA-N 307.349 4.601 30 20 DJED Cc1nc(CC2CC2)oc1/C(O)=N/[C@H](C)CC1CCCCC1 330190048 VTLBJUGPAFQKIG-GFCCVEGCSA-N 304.434 4.599 30 20 DJED CC(C)(C#N)CCCCSc1nc2cc(F)c(F)cc2[nH]1 436180368 BVYHLAZIAXYANS-UHFFFAOYSA-N 309.385 4.653 30 20 DJED CCCC1CCC(N(C(=O)c2cc(C#N)cs2)C(C)C)CC1 437550712 WATDFUHZJLBTKC-UHFFFAOYSA-N 318.486 4.829 30 20 DJED CC(C)Oc1ccc([C@@H](C)NCCCCC(C)(C)C#N)cc1 444686123 RFXFSMCPIGTUQK-MRXNPFEDSA-N 302.462 4.844 30 20 DJED CCCC[C@@H](CC)C(=O)N(CCC)Cc1ccc(C#N)cc1 463303295 AGXYPCDMNFJYGD-GOSISDBHSA-N 300.446 4.513 30 20 DJED C=CCCCC(=O)Nc1cc(F)c(Br)cc1Cl 466470297 IJDJATKSWASJAS-UHFFFAOYSA-N 320.589 4.536 30 20 DJED C=CCCN(C)C(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1 466614957 ZTKFOCFNNIRLSB-UHFFFAOYSA-N 316.351 4.672 30 20 DJED C[C@@H](NCc1ccc(Cl)cc1C#N)c1ccc(F)cc1Cl 480896896 JNLSZDUHQRVMIQ-SNVBAGLBSA-N 323.198 4.855 30 20 DJED C=CC[C@H](C(=O)N(C)C[C@H](C)c1ccccc1)c1ccccc1 488359608 BEEKRSLIQTWHGP-PXNSSMCTSA-N 307.437 4.608 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)c1cccn1CC=C 490364696 ILLJYCLHHCSFOT-UHFFFAOYSA-N 308.425 4.778 30 20 DJED C[C@H](CCc1ccccc1)SCCCC1(C#N)CCOCC1 507736644 XTEPRNJDFMOPQA-QGZVFWFLSA-N 317.498 4.841 30 20 DJED CC(C)C[C@H](C(=O)Nc1ccc(CC#N)cc1)c1ccccc1 525339799 WCILDYROEBIJJJ-IBGZPJMESA-N 306.409 4.521 30 20 DJED C=C[C@@H](CC(=O)Nc1cccc2cccnc12)c1ccccc1 534648982 NPQBLIFCPGPULO-HNNXBMFYSA-N 302.377 4.533 30 20 DJED CC(C)CCOc1ccccc1CN[C@@H](C)c1ccc(C#N)cc1 537465070 CDRJBFJXTNEMRO-KRWDZBQOSA-N 322.452 4.834 30 20 DJED Cc1ccc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)o1 542016938 AGPKDQBIJIYTDU-MRXNPFEDSA-N 316.404 4.978 30 20 DJED C=CCC(C)(C)C(=O)N(C)Cc1ccccc1-c1ccccc1 559417265 BOVIOPKKMJPHDS-UHFFFAOYSA-N 307.437 4.914 30 20 DJED Cc1csc(NC(=O)c2cc(Cl)sc2Cl)c1C#N 564189973 LAEVWAAKDPKKLR-UHFFFAOYSA-N 317.222 4.549 30 20 DJED Cc1ccc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c(C)c1 577596813 UHXUHRUUNPMUQS-HRAATJIYSA-N 304.437 4.903 30 20 DJED CC(C)c1ccc(CC2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 583825139 DRGICLXIAVHARB-TZIWHRDSSA-N 310.485 4.757 30 20 DJED C[C@@H](SCc1cccnc1C(F)(F)F)c1ccc(C#N)cc1 600621706 PNDZAGPIRYXHJJ-LLVKDONJSA-N 322.355 4.966 30 20 DJED CC(C)(C)CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 609968444 HIUVNVAKNLAIKP-UHFFFAOYSA-N 323.396 4.510 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)C1CCCC1 610522692 KYXJCLWATRYTKC-ZIAGYGMSSA-N 316.470 4.846 30 20 DJED CCC(CC)c1cc(CN[C@H]2CCCc3cc(C#N)ccc32)on1 611393559 XBHLTEIUTZOELN-IBGZPJMESA-N 323.440 4.617 30 20 DJED Cc1ccc([C@@H](NCc2ccc(C#N)c(Cl)c2)C2CCC2)o1 619755165 AUXBQTRQTVXMCG-SFHVURJKSA-N 314.816 4.744 30 20 DJED C=C(C)COc1cccc(NCc2nc3c(s2)CCCC3)c1 678960882 ISUXCIGZCHQTCU-UHFFFAOYSA-N 314.454 4.589 30 20 DJED Cc1ccc([C@H](C)NCc2cccc(OCCCC#N)c2)s1 726796832 JAORRQKQNOEGEH-HNNXBMFYSA-N 314.454 4.590 30 20 DJED CC(C)CC[C@H]1CCCC1=NNc1ncnc2sccc12 727253191 DNDBFXNFJUTOFN-GFCCVEGCSA-N 302.447 4.696 30 20 DJED C#Cc1cccc(N(C(=S)Nc2ccc(C)cc2)C(C)C)c1 728226943 QJNFXVIYHKPJDO-UHFFFAOYSA-N 308.450 4.588 30 20 DJED CCC(CC)CN(CCC#N)C(=S)Nc1ccc(C)cc1C 729642657 POQAIWDOHGVNII-UHFFFAOYSA-N 317.502 4.652 30 20 DJED O=C(/C=C\c1cc(C(F)(F)F)ccc1F)c1ccc(F)cc1 733205532 YVDQOKPNTUWVHR-BAQGIRSFSA-N 312.237 4.880 30 20 DJED FC(F)C(F)(F)COc1ccc(Cl)c(C(F)(F)F)c1 736434598 CPWGVLISNFSBMF-UHFFFAOYSA-N 310.596 4.638 30 20 DJED C=C(Cl)CN1CCC[C@H]1c1nc2ccccc2n1C(C)C 749366282 JNONGWOOAGXGPH-INIZCTEOSA-N 303.837 4.507 30 20 DJED Cc1cc(/C=C2/C(=O)c3ccsc3S[C@H]2C)cnc1Cl 760264647 KRABXPBSEZZQTJ-DAVUEJTQSA-N 321.854 4.865 30 20 DJED Fc1cccc(Cl)c1NN=C1CCC(C(F)(F)F)CC1 769826627 HKFGWBVIZKYEHC-UHFFFAOYSA-N 308.706 5.000 30 20 DJED C#CC[C@@H](N[C@@H](CC)c1cc(Cl)ccc1O)c1ccccc1 775524190 QTFHWMHSHNWMJH-ZWKOTPCHSA-N 313.828 4.851 30 20 DJED Cc1c(C(=O)/C=C/c2cc(Cl)ccc2F)cnn1C(C)(C)C 787186368 ITSSPVJMBWYPPL-VMPITWQZSA-N 320.795 4.635 30 20 DJED CC(=NNc1c(F)cccc1Cl)c1ccc(C#N)cc1Cl 788441671 UYZMNEGEFIFJRZ-UHFFFAOYSA-N 322.170 4.840 30 20 DJED Cc1ccsc1C(=O)/C=C/c1cscc1Br 794703434 VCQANUKYIPYHRE-NSCUHMNNSA-N 313.241 4.777 30 20 DJED N#CC[C@H](CC(=O)Oc1ccc2c(c1)CCCC2)c1ccccc1 796790394 XGJMMASUAXFWSQ-LJQANCHMSA-N 319.404 4.558 30 20 DJED CCCCCCOCc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1 799721646 PFUHPUZIRKBUJY-VQIMIIECSA-N 300.446 4.888 30 20 DJED COCc1ccccc1/C=C(C)/C=C/C(=O)c1cc(C)c(C)o1 814191352 OZTNENFSFQKCKX-QDCWQMMGSA-N 310.393 4.885 30 20 DJED O=C1/C(=C\c2ccc(F)cc2)CC/C1=C/c1cccc([N+](=O)[O-])c1 818238776 MLTQPUWHJAOBCT-XCMCHEKJSA-N 323.323 4.564 30 20 DJED FC(F)(F)CCNN=C1CC=C(c2ccc(Cl)cc2)CC1 834976223 IZPIHABNIHZOQV-UHFFFAOYSA-N 316.754 4.805 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)n1 842315456 GOULYHQSEAGBTJ-CLCXKQKWSA-N 324.449 4.637 30 20 DJED Cc1ccc(C=NOCc2cc(-c3ccc(C)cc3)no2)cc1 915213036 IXKDFOQNYOYWTF-UHFFFAOYSA-N 306.365 4.509 30 20 DJED CC(C)C(CCc1ccccc1)=NNc1nncc2ccccc12 917531808 JGCDZBPCAOOUFZ-UHFFFAOYSA-N 318.424 4.687 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)C[C@@H]1CC[C@H]2C[C@H]12 1125171958 FGPZATLZVPHRPW-DZKIICNBSA-N 322.433 4.661 30 20 DJED N#Cc1cccc(N(C(=O)CCC2CCCCC2)C2CCC2)c1 1130953309 XRGVGVJEVJNBSU-UHFFFAOYSA-N 310.441 4.804 30 20 DJED N#Cc1cccc(C#N)c1N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 1163519228 BFHNGSWPQRQDNP-KDOFPFPSSA-N 321.811 4.832 30 20 DJED N#Cc1cc(CN[C@@H]2CCCC[C@H]2Cc2ccccc2)ccc1F 1169553922 GNHNKHWFHQQPHE-GHTZIAJQSA-N 322.427 4.588 30 20 DJED CC1(c2ccc(Cl)cc2)CCN([C@H](C#N)c2ccccc2)CC1 1194083547 UUTARCFYZJHNSH-LJQANCHMSA-N 324.855 4.958 30 20 DJED N#Cc1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1 1252522033 FJVMRQNGYWGWPD-UHFFFAOYSA-N 323.355 4.942 30 20 DJED CC1(C)CCC(CC(=O)Nc2ccc(Cl)cc2C#N)CC1 1279077677 PXYDZKAWAKCHKR-UHFFFAOYSA-N 304.821 4.757 30 20 DJED N#CC1(CN[C@@H]2CC=C(c3ccc(Cl)cc3)CC2)CCC1 1308826720 XGDDYAVYNDVRGG-QGZVFWFLSA-N 300.833 4.559 30 20 DJED Cc1sc(NC(=O)[C@]2(c3ccccc3)CC2(C)C)c(C#N)c1C 1347708395 FDAOBLCMRFGWRO-LJQANCHMSA-N 324.449 4.543 30 20 DJED CC(C)CN(C(=O)CC(C)(C)C#N)[C@@H](C)c1ccccc1Cl 1460013712 INTKUQVIEUQIHL-AWEZNQCLSA-N 320.864 4.825 30 20 DJED CC1(CC(=O)N(c2ccccc2C#N)C2CCC2)CCCCC1 1461559695 OBDOKHIDHAAFBZ-UHFFFAOYSA-N 310.441 4.804 30 20 DJED CC[C@@H](C)c1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1 1472978712 RCMCOMJSECKTNI-CQSZACIVSA-N 324.449 4.803 30 20 DJED CC1(C)CCCN(Cc2ccc(-c3cccs3)cc2)[C@H]1C#N 1473448593 LJYIROLDRSVFSI-SFHVURJKSA-N 310.466 4.929 30 20 DJED CC(C)(C)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1Cl 1530021698 PKMTUFQRQXKYCX-UHFFFAOYSA-N 312.800 4.761 30 20 DJED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)Nc1cccc(C#N)c1C 1534738344 NPQIVHXIOKQFAO-PBHICJAKSA-N 318.420 4.795 30 20 DJED CC[C@H](C)N(CC)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1538841605 OCVLPUXFOCXDGP-HNNXBMFYSA-N 322.408 4.611 30 20 DJED CC(C)COc1ccc([C@@H](C)OC(=O)c2ccc(C#N)cc2)cc1 1539753801 MQTLASWHRAFCQH-OAHLLOKOSA-N 323.392 4.511 30 20 DJED Cc1ccc(C[C@@H](C)Nc2nc(C(C)(C)C)ccc2C#N)c(C)c1 1611975047 AYWRMQCFBBIQEW-MRXNPFEDSA-N 321.468 4.911 30 20 DJED C=C(Cl)CNC1(c2ccc(Br)cc2)CCCC1 1616238654 AIPJYIQPXFOODG-UHFFFAOYSA-N 314.654 4.561 30 20 DJED N#CCc1ccccc1C(=O)Nc1cccc(-c2cccs2)c1 1631962242 RJXWCYXRURRQBE-UHFFFAOYSA-N 318.401 4.733 30 20 DJED CC1(C)CCc2ccccc2[C@H](Nc2ncc(C#N)cc2F)C1 1642612430 INEAKNBTAGOQHA-QGZVFWFLSA-N 309.388 4.608 30 20 DJED N#Cc1cc2c(nc1OCc1ccc(Cl)s1)CCCCC2 1644176555 PMLASCPTJFIAJX-UHFFFAOYSA-N 318.829 4.516 30 20 DJED N#Cc1cc(CN(Cc2ccc(Cl)cc2)C2CC2)ccc1F 1644353207 CFIPAFZQJNRIJO-UHFFFAOYSA-N 314.791 4.515 30 20 DJED Cc1cc(SCCC(C)C)n2c(nc3ccccc32)c1C#N 1650796295 VKXZXHNNDDJDEM-UHFFFAOYSA-N 309.438 4.806 30 20 DJED Cc1nc(N[C@@H](C)Cc2c(Cl)cccc2Cl)ccc1C#N 1651699850 WXUSHBHNONBPJT-JTQLQIEISA-N 320.223 4.612 30 20 DJED N#Cc1ccc(Br)c(CSc2ccccc2)c1 1652441624 NLFSLNVYLBHBLH-UHFFFAOYSA-N 304.212 4.613 30 20 DJED COc1ccc2c(-c3ccccc3)cc(S[C@@H](C)C#N)nc2c1 4297194 VKVQOMXCSLQDOU-ZDUSSCGKSA-N 320.417 4.915 30 20 DJED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2)cc1 47509121 UQNKAFNHFIGJNC-UHFFFAOYSA-N 314.344 4.603 30 20 DJED N#Cc1ccc(CSc2cccc(Br)c2)cc1 55307723 WHHPCTCROMNLAA-UHFFFAOYSA-N 304.212 4.613 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(C)c1C 56528786 MJBUCZCEBAMXEM-UHFFFAOYSA-N 312.388 4.663 30 20 DJED C=CCN(Cc1cccs1)C(=O)N[C@H](C)c1ccc(C)cc1 80079543 XCQGHMRMLLIGJH-OAHLLOKOSA-N 314.454 4.515 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc3ccccc3c2)cc1OC 90548112 VOCWKGFFNOMSGD-FLIBITNWSA-N 318.372 4.753 30 20 DJED C=C[C@@H](CC(=O)Nc1cccc(Cl)c1OC)c1ccccc1 159246141 KQOXREIBUKRRMC-ZDUSSCGKSA-N 315.800 4.647 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)C/C=C/c2cccc(F)c2)cc1 175933217 GHYRJMYFQXOVPG-GQCTYLIASA-N 322.383 4.669 30 20 DJED C[C@H](Nc1ccc(NC(=O)CC(C)(C)C#N)cc1)c1ccccc1 278871758 NCFFVSRDISCJCP-HNNXBMFYSA-N 321.424 4.738 30 20 DJED Cc1nc(S[C@@H](C)c2ccc(C#N)cc2)c2ccccc2n1 303691314 MEGKDQQQPSXUOV-LBPRGKRZSA-N 305.406 4.663 30 20 DJED CC1(C)CC[C@@H](/N=C(/O)c2ncoc2C2CC2)c2ccccc21 328747033 AUYWMNUDMPOSLV-OAHLLOKOSA-N 310.397 4.669 30 20 DJED Cc1cc(Cl)c2c(c1)[C@@H](NCC(C)(C)CCC#N)CCCO2 348199199 OXMVUYNHKUJDKE-INIZCTEOSA-N 320.864 4.782 30 20 DJED Cc1ccc(C)c2c(C)c(C(=O)N3CCCC(C)(C)[C@H]3C#N)oc12 434032187 QRHPSYJUJLYQID-OAHLLOKOSA-N 324.424 4.512 30 20 DJED Cc1nc2c(OCc3ccccc3C(C)(C)C#N)cccc2o1 476039303 HKTQXMGTEPETRS-UHFFFAOYSA-N 306.365 4.516 30 20 DJED C=CCC[C@@H](CC)N[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 483637517 HTDYIPJHXBXUCZ-UKRRQHHQSA-N 317.408 4.580 30 20 DJED CCCCN(C(=O)c1cccc(C#N)c1)[C@H](C)c1ccccc1 498815214 IABCQWPYFTZSBL-MRXNPFEDSA-N 306.409 4.562 30 20 DJED C=CCC(C)(C)C(=O)Nc1sc(-c2ccccc2)nc1C 499134158 LDBHBVPHDZUILZ-UHFFFAOYSA-N 300.427 4.659 30 20 DJED CCC[C@H](CC1CCCCC1)C(=O)N1CCC(CC#N)CC1 519634056 FAVBWFYFXHUVRK-GOSISDBHSA-N 304.478 4.525 30 20 DJED N#CCCCSc1nc2ccccc2n1-c1ccc(F)cc1 520694689 QOVRRFCQCGEXDS-UHFFFAOYSA-N 311.385 4.560 30 20 DJED N#Cc1c(Cl)cccc1NCc1coc(-c2cccs2)n1 521237808 MYOCSZUNRVIYCV-UHFFFAOYSA-N 315.785 4.540 30 20 DJED Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c(C)c1 521769789 UYMGFLJZIJUMJJ-IBGZPJMESA-N 320.436 4.596 30 20 DJED Cc1ccc2sc(CN(C)[C@H](C)c3cccc(C#N)c3)nc2c1 528522614 BHPNDVSXYXZLNM-CQSZACIVSA-N 321.449 4.669 30 20 DJED C=C[C@H](CC(=O)N(C)C[C@H](C)c1ccccc1)c1ccccc1 536114200 OATXAHOWUHDLFA-ZWKOTPCHSA-N 307.437 4.608 30 20 DJED CC(C)(CCC#N)CN1CCCC[C@H]1Cc1ccc(F)cc1 538738814 JEBDITZKTKKAQO-SFHVURJKSA-N 302.437 4.553 30 20 DJED C[C@@H](NCc1ccc(C(C)(C)C)cc1)c1ccc(C#N)c(F)c1 540708086 RDVGTHQXBOROND-CQSZACIVSA-N 310.416 4.846 30 20 DJED CC[C@H](CC(=O)N(CCC#N)c1ccc(F)cc1)c1ccccc1 553943848 JSKMJDFPAXVNDX-MRXNPFEDSA-N 324.399 4.656 30 20 DJED C/C(=C/c1ccccc1C(F)(F)F)CN(CCC#N)C(C)C 558635062 NUHFEOJHQICJGN-KAMYIIQDSA-N 310.363 4.733 30 20 DJED C=CCC[C@@H](Nc1cccc(N2CCCCC2=O)c1)c1ccco1 567634638 YSBOLNVVXGWKLR-GOSISDBHSA-N 324.424 4.916 30 20 DJED Cc1c([C@@H](C)N[C@@H]2CCc3ccc(C#N)cc32)oc2ccccc12 581459032 YHCWHDFIXLBNMY-AUUYWEPGSA-N 316.404 4.951 30 20 DJED C[C@H](SCc1ccc(C#N)cc1F)c1cc(F)ccc1F 604070862 SQTHKPRAQMXYGG-JTQLQIEISA-N 307.340 4.970 30 20 DJED C=CCCCCCN(C)Cc1nc2ccccc2n1C(F)F 606934447 OYFJZGPAWSWPBT-UHFFFAOYSA-N 307.388 4.610 30 20 DJED C[C@@H](SCc1cc(C#N)ccc1F)c1ccc(F)cc1F 609238116 UVLVFGSPTVITNA-SNVBAGLBSA-N 307.340 4.970 30 20 DJED Cc1cc(C(=O)Nc2ccccc2SCCC#N)c(C)s1 609375962 QFGDVJSOQBGRIO-UHFFFAOYSA-N 316.451 4.623 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc(CCSC)cc1 610095202 INJKPTMCKVBRFX-UHFFFAOYSA-N 320.502 4.802 30 20 DJED N#CCC[C@@H](N[C@H]1CCc2c(F)cc(F)cc21)c1ccccc1 611336987 BRBCQNHANNLMQN-MOPGFXCFSA-N 312.363 4.587 30 20 DJED C=C(C)[C@H](N[C@H](C)c1ccc(C)nc1C)c1ccc(F)c(F)c1 681401425 SBPWEXZNVGWFJQ-KUHUBIRLSA-N 316.395 4.945 30 20 DJED O=C1/C(=C/c2cccnc2Cl)CSc2ccc(Cl)cc21 726366518 YCQFHQDGMNJCFR-UXBLZVDNSA-N 322.216 4.760 30 20 DJED C#Cc1cccc(N(C)C(=O)c2cc3c(ccc4ccccc43)[nH]2)c1 728537303 KZEYIWXNLSSQCI-UHFFFAOYSA-N 324.383 4.579 30 20 DJED CCCCC[C@@H](NC(=O)Nc1ccc(CC#N)cc1)C(C)(C)C 734642866 RMVLGLBAYJXZJD-QGZVFWFLSA-N 315.461 4.869 30 20 DJED COc1ccccc1-c1csc(NN=C(C)c2ccccc2)n1 749263949 ZDAGJYKIZYPNCO-UHFFFAOYSA-N 323.421 4.655 30 20 DJED CC(C)[C@H]1/C(=C/c2cccc(OCC#N)c2)C(=O)c2ccccc21 766507117 QYVGBVTTYIUHJA-QRRJMBGHSA-N 317.388 4.608 30 20 DJED CC(C)(C#N)CCCCOC(=O)/C=C/c1ccc(Cl)s1 768459036 DIFVTHOJSLKAOF-SOFGYWHQSA-N 311.834 4.678 30 20 DJED Cc1cc(N2CCCC2)ccc1N[C@@H](C)c1ccc(C#N)c(F)c1 776756276 MJVXBHYRBIEWOY-HNNXBMFYSA-N 323.415 4.779 30 20 DJED Cc1cc(C#N)ccc1CN(Cc1ccccc1O)C1CCCC1 776794603 DXJPKCMZTWCUBP-UHFFFAOYSA-N 320.436 4.517 30 20 DJED C[C@H](Nc1cccc(N2CCCCC2)c1)c1ccc(C#N)c(F)c1 776869980 NUOOZGFVUUNIBD-HNNXBMFYSA-N 323.415 4.861 30 20 DJED C#CCCCCCC(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 780741867 PJDGYRDNMUMPII-QGZVFWFLSA-N 315.432 4.506 30 20 DJED Clc1cccc(Cl)c1NN=Cc1scnc1C1CC1 782249749 PQURGYIZVHURTD-UHFFFAOYSA-N 312.225 4.773 30 20 DJED Cc1cc(C(=O)/C=C\c2nc(C(C)C)n3ccccc23)oc1C 799895289 AAMNBEJYXKLSEE-HJWRWDBZSA-N 308.381 4.564 30 20 DJED Clc1ncccc1C=NN=C1c2ccccc2-c2ccccc21 814779799 SUPKYOBRIYMBMA-UHFFFAOYSA-N 317.779 4.587 30 20 DJED C=CCC(C)(C)c1noc(-c2c(C)oc3ccc(OC)cc23)n1 815707813 QURYBTWTPASKCQ-UHFFFAOYSA-N 312.369 4.654 30 20 DJED CC(C)Cc1ccc([C@H](C)NCc2cc(C#N)ccc2F)cc1 818717541 IMNKRYLNSFPTAE-HNNXBMFYSA-N 310.416 4.747 30 20 DJED CC(C)c1occc1C(=O)N(O)Cc1cccc2ccccc12 901371859 ZXQCCCLKEAQQIJ-UHFFFAOYSA-N 309.365 4.588 30 20 DJED CC(=NNc1nc(-c2ccccc2)cs1)c1cc(C)ccc1O 916545595 PMMUJPLGDHBRGM-UHFFFAOYSA-N 323.421 4.660 30 20 DJED Cc1ccc(N(CCC#N)C(=O)C[C@H](C)CC(C)(C)C)cc1 920970377 ILQBFWYMCYCXSI-INIZCTEOSA-N 300.446 4.704 30 20 DJED Cc1ccc(C#N)cc1C(=O)N(C)C1CC(C)(C)CC(C)(C)C1 1130935202 MUFCXOYHPRQJQT-UHFFFAOYSA-N 312.457 4.544 30 20 DJED Cc1cccc2oc(C(=O)Nc3ccc(Cl)cc3C#N)cc12 1279077647 ONFJMZIEPKTZOS-UHFFFAOYSA-N 310.740 4.519 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)c1nc2ccc(F)cc2s1 1307147683 UVZRVJFIGXQAOO-NSHDSACASA-N 311.385 4.504 30 20 DJED CC(C)CN(Cc1nsc2ccccc12)c1ccc(C#N)cc1 1307551638 KTTIXMSHBPHQGV-UHFFFAOYSA-N 321.449 4.831 30 20 DJED COc1cc(O)ccc1/C=C\C(=O)c1ccc(Cl)cc1Cl 1317755043 YTKFHAHIZCEMSQ-CLTKARDFSA-N 323.175 4.604 30 20 DJED C=CCCC(=O)N(C)Cc1ccc2c(c1)c1ccccc1n2CC 1318322190 LQXGQPKXPXJOBV-UHFFFAOYSA-N 320.436 4.739 30 20 DJED CCCCCC[C@@H](C)c1nnc(COc2ccc(C#N)cc2)o1 1322128480 UNCPMYDMFCKBES-CQSZACIVSA-N 313.401 4.594 30 20 DJED CC[C@@H](c1ccccc1)c1nnc(/C=C\c2ccccc2C#N)o1 1322362832 DAHDFHJXPBRTCP-SQVRQVGWSA-N 315.376 4.654 30 20 DJED CC[C@@H](OC(=O)c1cccc(C#N)c1C)C(C)(C)c1ccccc1 1353950556 NUXODOXVQGLEAF-LJQANCHMSA-N 321.420 4.780 30 20 DJED CCC(C)(C)c1ccc(C(=O)Nc2ccc(OC)c(C#N)c2)cc1 1462316600 YKGVRLNJKPEKHU-UHFFFAOYSA-N 322.408 4.507 30 20 DJED C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CC1(C#N)CCCCC1 1471997510 SSVWYKRLNYCWHO-PKOBYXMFSA-N 324.468 4.645 30 20 DJED C[C@H](NCc1cc(Cl)ccc1OCC#N)[C@@H]1CCC[C@@H](C)C1 1559911078 DVOJKKXFWDBYRP-QLFBSQMISA-N 320.864 4.547 30 20 DJED CCc1ccc(CSc2nc3c(c(C)c2C#N)CCC3)cc1 1613367672 SMEHMERUISFUOL-UHFFFAOYSA-N 308.450 4.605 30 20 DJED CCOc1ccc(C#N)cc1NC[C@@H](C)CC1CCCCC1 1620962585 KFZKDTADJFFOAK-HNNXBMFYSA-N 300.446 4.975 30 20 DJED C[C@@H]1C[C@H]1[C@H](NCCc1ccc(C#N)cc1)c1ccc(Cl)cc1 1645044418 KHLWEPQDTKIQOE-JSNMRZPZSA-N 324.855 4.741 30 20 DJED CC(C)(C)[C@@H]1Cc2ccccc2N(Cc2cccc(C#N)c2F)C1 1648020194 PDUYCVVPWLNCBQ-GOSISDBHSA-N 322.427 4.922 30 20 DJED CC[C@H]1CCC[C@@H]1Nc1cc(C)c(C#N)c2nc3ccccc3n12 1650870959 TXGUXHDOQABSKN-HOCLYGCPSA-N 318.424 4.658 30 20 DJED N#Cc1cnc(SCc2c(Cl)cccc2Cl)c(F)c1 1655054503 AMUKDQIITDWTJD-UHFFFAOYSA-N 313.184 4.691 30 20 DJED CC(C)C[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 1672795054 WZMMEMNQGYKNIK-ZDUSSCGKSA-N 319.836 4.502 30 20 DJED CC(C)CCN(CCC(C)C)C(=O)Nc1sccc1C#N 1678963394 WKEXTZOTDTUORQ-UHFFFAOYSA-N 307.463 4.546 30 20 DJED CC(C)C1CCC(C=NNc2ccc(Cl)c(C(=O)O)c2)CC1 1776033739 ARNHRUMQIVARSK-UHFFFAOYSA-N 322.836 4.898 30 20 DJED CC[C@H]1CCCC(=NNc2ccc(Cl)c(C(=O)O)c2)CC1 1776034270 WWEVHMBSSXJQIQ-NSHDSACASA-N 308.809 4.796 30 20 DJED Cc1c(NN=C2CCC(C)(C)c3ccccc32)cccc1C(=O)O 1776087990 JCFJAFUOGRWOSL-UHFFFAOYSA-N 322.408 4.581 30 20 DJED Cc1c(NN=C2CCC[C@@H](CC(C)C)C2)cccc1C(=O)O 1776088195 WIQUJVUOMLXCIH-AWEZNQCLSA-N 302.418 4.697 30 20 DJED COc1cccc(/C=C/C(=O)c2cc(C)c(C)cc2C)c1OC 28913152 BPJMSNLYXJLSLM-MDZDMXLPSA-N 310.393 4.525 30 20 DJED C=CCN(CC=C)C(=O)c1oc2c(ccc3ccccc32)c1C 60617266 LZOOYXHAXSFUFA-UHFFFAOYSA-N 305.377 4.709 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CC(C)(C)C 66954374 IVJAQXGPTMFJMU-CYBMUJFWSA-N 319.474 4.591 30 20 DJED C[C@@H](Sc1nccnc1C#N)c1ccc(Cl)c(Cl)c1 78474430 NGIPMXGKJZPYFH-MRVPVSSYSA-N 310.209 4.508 30 20 DJED CC[C@@H](CC#N)NC(=O)Nc1c(C(C)C)cccc1C(C)C 155424020 OUSISKPBEBLIRM-AWEZNQCLSA-N 301.434 4.747 30 20 DJED C[C@H](NCc1ccc(F)cc1C(F)(F)F)c1ccc(C#N)cc1 173919717 JYRIIZIWBAFKEQ-NSHDSACASA-N 322.305 4.567 30 20 DJED C=C(C)[C@@H](NC(=O)Nc1ccccc1C)c1ccc(F)c(F)c1 185506573 FIYCHOBPXZGZOH-QGZVFWFLSA-N 316.351 4.712 30 20 DJED CCOc1ccc([C@@H](C)Nc2ccc(C#N)cc2)cc1OCC 301083545 KHSXPSKEDALANS-CQSZACIVSA-N 310.397 4.529 30 20 DJED N#Cc1c(Cl)nsc1Nc1ccc(CC(F)(F)F)cc1 301950494 GULHPDKWWUIKNC-UHFFFAOYSA-N 317.723 4.517 30 20 DJED CCCCCCCCC(=O)N[C@H](c1ncccc1C)C(C)C 303666503 XSMRNNUZEXGYOY-SFHVURJKSA-N 304.478 4.954 30 20 DJED CCCCCCCC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C 303856527 OHWYAXIRUHAMBK-WBVHZDCISA-N 305.437 4.891 30 20 DJED OC(=Nc1cccc(-c2nc[nH]n2)c1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 329170068 JWBGJGTUMVXVRX-XOKHGSTOSA-N 324.428 4.666 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1ccc(C)c(C)c1Cl 348525379 NYPHPFFTAIMILA-UHFFFAOYSA-N 306.837 4.501 30 20 DJED C=CCC[C@H](NC(=O)N1CCC[C@@H]1C1CCC1)c1ccccc1 435101093 NHZJWUHYINRCSL-RBUKOAKNSA-N 312.457 4.668 30 20 DJED C=CC[C@H]1N(C(=O)c2cc3ccncc3s2)CCCC1(C)C 451209202 CGDWBHCJMYYMPT-MRXNPFEDSA-N 314.454 4.503 30 20 DJED COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@H](C)c1ccc(C#N)cc1 474056677 LSIDVFCIERRLFI-VLIAUNLRSA-N 320.436 4.640 30 20 DJED C=C(C)[C@H](NCc1ccc(F)c(C)c1)c1ccc(F)c(F)c1 479399139 UYOLUTOPAZYBOX-SFHVURJKSA-N 305.343 4.819 30 20 DJED C=CCCCC(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1 479847773 LYNWHLZYKMYOMT-UHFFFAOYSA-N 310.397 4.786 30 20 DJED CC(C)Cc1ccc([C@H](NCc2cc(C#N)n(C)c2)C(C)C)cc1 480660008 HGWVTDOTBMEUGQ-OAQYLSRUSA-N 323.484 4.582 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CSc2ccccc21 481667178 GTSYPVUCYLVJSI-RBUKOAKNSA-N 320.461 4.762 30 20 DJED CCN(Cc1ccsc1Cl)[C@@H](C)c1ccc(C#N)cc1 483165341 BZEVBUQVCFUNBX-LBPRGKRZSA-N 304.846 4.856 30 20 DJED N#Cc1nc(N2CCC[C@H]2c2ccc(Cl)cc2)ccc1Cl 486162218 YZSBAKPTDZEJME-HNNXBMFYSA-N 318.207 4.602 30 20 DJED Cc1cc(CN(Cc2ccco2)Cc2cccs2)ccc1C#N 486812370 PTDBUZBRSUDEJP-UHFFFAOYSA-N 322.433 4.724 30 20 DJED CC(C)(C)C(=O)c1ccc(NCc2cc(C#N)ccc2F)cc1 487379064 RLXGJTRTWGKQHD-UHFFFAOYSA-N 310.372 4.538 30 20 DJED C=CCC[C@@H](C(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 487609961 UHISQPGZOVCSDF-MRXNPFEDSA-N 324.449 4.925 30 20 DJED C=CCC[C@H](C(=O)N[C@@H](CC)CC(F)(F)F)c1ccccc1 490225970 YQZUDWIDWLCMLA-GJZGRUSLSA-N 313.363 4.584 30 20 DJED C[C@@H](NC(=O)Nc1cccc2ccsc12)c1ccc(C#N)cc1 501267543 AKTSTRPYSRNEHW-GFCCVEGCSA-N 321.405 4.656 30 20 DJED CCC[C@H](C)CC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 505991869 OFUCQTRNKKZNGL-HZMBPMFUSA-N 313.228 4.501 30 20 DJED CC[C@@](C)(C#N)C(=O)N[C@H](C)c1ccccc1Oc1ccccc1 509209645 HZYDLWZLMUEEJS-QRWLVFNGSA-N 322.408 4.596 30 20 DJED Cc1ccccc1C1(C(=O)Nc2ccc(CC#N)cc2)CCCC1 516358808 ZLPTXJVMNCKWIC-UHFFFAOYSA-N 318.420 4.512 30 20 DJED C[C@@H](SCc1cc(C#N)ccc1F)c1cc(F)ccc1F 517939687 KAVTULRNJLQYKS-SNVBAGLBSA-N 307.340 4.970 30 20 DJED C=CCCC(=O)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1 522596270 XQTAOYUHYFSFLN-YJBOKZPZSA-N 301.430 4.687 30 20 DJED N#Cc1csc(C(=O)Nc2ccc3oc4ccccc4c3c2)c1 530974520 WSAPLGGBMWVAPX-UHFFFAOYSA-N 318.357 4.771 30 20 DJED CC(C)CN(C(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 557779935 GQQZLQNRRUXLIQ-UHFFFAOYSA-N 312.800 4.514 30 20 DJED C=CCC(C)(C)c1noc(Cc2c[nH]c3cc(Cl)ccc23)n1 571747653 MRGXVKIPTSGLFF-UHFFFAOYSA-N 315.804 4.649 30 20 DJED Cc1oc(-c2ccccc2)nc1COc1ccc(C#N)cc1Cl 590612294 MSBYWHYHVCROLE-UHFFFAOYSA-N 324.767 4.754 30 20 DJED N#CCCCCCC(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 590888957 QIQGVFRTLOOHJY-DOTOQJQBSA-N 318.848 4.566 30 20 DJED C=CCSc1ccccc1C(=O)Nc1cc(O)c(C)cc1C 681636919 NWGQCTSVVPFDOC-UHFFFAOYSA-N 313.422 4.539 30 20 DJED N#CCOc1cccc(/C=C/c2nc3cc(Cl)ccc3o2)c1 727744877 VWRUYGQQVVGXFN-QPJJXVBHSA-N 310.740 4.554 30 20 DJED C[C@H](CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C1CC1 731331603 LAOADANKTOQZCK-CQSZACIVSA-N 320.392 4.725 30 20 DJED CCCCCCC[C@@H](C)CNC(=O)N1CCC[C@@H]1c1ccc[nH]1 734269096 FRMWLFAONDUNPD-SJLPKXTDSA-N 319.493 4.858 30 20 DJED C=CCN(C(=O)N[C@H](C)c1cc(Cl)ccc1Cl)C(C)C 746966592 RXOUTXNPTVAGQV-LLVKDONJSA-N 315.244 4.660 30 20 DJED Cc1ccc(NC(=S)N[C@@H](CCC#N)c2ccccc2)cc1C 747711278 ZVNWCTQZGXJXSP-SFHVURJKSA-N 323.465 4.635 30 20 DJED COc1cc(/C=C\C(=O)c2cc3cc(C)c(C)cc3o2)ccc1O 749132882 SHXUJSMMDZMRGP-ALCCZGGFSA-N 322.360 4.660 30 20 DJED C=C[C@@H](CC(=O)Oc1cccc2ncccc12)c1ccccc1 759808525 DYRCZSIIEKDYRK-HNNXBMFYSA-N 303.361 4.500 30 20 DJED C#CC[C@H](NCc1csc(Cl)c1Cl)c1ccccc1 762455858 WTNCXRTVKQEYEW-ZDUSSCGKSA-N 310.249 4.909 30 20 DJED C#CCC(C)(C)C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 767043625 CYMUHFICYXOMGI-UHFFFAOYSA-N 324.858 4.513 30 20 DJED C=CCSc1ccccc1C(=O)Nc1ccc(O)c(Cl)c1 777278438 JGLBEGPAEUOIKB-UHFFFAOYSA-N 319.813 4.576 30 20 DJED Cc1ccc(N[C@H](C)c2ccc(OCC#N)cc2)cc1OC(C)C 786942459 WGCVDVPFKFUVDN-MRXNPFEDSA-N 324.424 4.858 30 20 DJED CCC[C@@H](C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)C(C)C 797569942 BKDYOLQHYMXAQF-OLZOCXBDSA-N 306.475 4.689 30 20 DJED C=CCCCCCCNC(=O)c1c(Cl)cc(F)cc1Cl 805219840 XZYRHHAEYQISAK-UHFFFAOYSA-N 318.219 4.999 30 20 DJED COc1cccc2cc(CN(C)[C@H](C)c3cccc(C#N)c3)oc12 822525484 HMMOUUXZFNZBGO-CQSZACIVSA-N 320.392 4.506 30 20 DJED Cn1ncc(C2CC2)c1/C=C/C(=O)c1ccc(Cl)cc1Cl 849242106 VSPKJJYYPCBNBA-VOTSOKGWSA-N 321.207 4.500 30 20 DJED CC(C)[C@@H](C#N)c1ccc(-c2cnn([C@H]3CCCCO3)c2)cc1 854209146 FIAVZSWVMCGAGW-RTBURBONSA-N 309.413 4.512 30 20 DJED CC[C@@H](Nc1ccc(C)c(NC(C)=O)c1C)c1cccc(C#N)c1 902904043 IUVCDZDSDHYVIA-GOSISDBHSA-N 321.424 4.697 30 20 DJED CCOc1cc(C=NNc2ccc(C)cc2)cc(Cl)c1OC 916250059 IJRHEPKHXPCPJT-UHFFFAOYSA-N 318.804 4.502 30 20 DJED C=CCN(C(=O)Nc1ccccc1COc1ccccc1)C(C)C 918052958 HWXXSSGOEVMKRK-UHFFFAOYSA-N 324.424 4.694 30 20 DJED CC1(C)CCc2cc(/C=C\C(=O)c3ccc(C#N)cc3)ccc2O1 920240995 JDMMTUNLCMXFDH-UITAMQMPSA-N 317.388 4.558 30 20 DJED N#CCCCCSCc1cccc(CN2CCCCC2)c1 1118040225 GGKADWALOMKPMR-UHFFFAOYSA-N 302.487 4.600 30 20 DJED C[C@H](NC(=O)c1ccccc1CC(C)(C)C)c1ccc(C#N)cc1 1124916248 XVELYJMBFFJVRR-HNNXBMFYSA-N 320.436 4.638 30 20 DJED CC(C)c1ccc2c(c1)[C@H](NC(=O)C1(C#N)CCCCC1)CCC2 1127674090 YHJVJLUOTARRCP-LJQANCHMSA-N 324.468 4.778 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCCCC[C@@H]1c1ccco1 1167439328 VRBBDOWLTYAVAJ-QGZVFWFLSA-N 314.816 4.922 30 20 DJED Cc1ccc(O)c2c1[C@@H](C)/C(=C\c1ccc3ncccc3c1)C2=O 1318306694 AQRROUGPJKKVFF-XDUBLRSXSA-N 315.372 4.632 30 20 DJED CC[C@H]1CC[C@H](C(=O)Nc2sc3c(c2C#N)CCCC3)CC1 1349746974 WYKYJHUDPGWAFY-JOCQHMNTSA-N 316.470 4.653 30 20 DJED CC[C@H](C)Oc1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)cc1 1516898088 BSMKEGQFCYLGLC-LSDHHAIUSA-N 323.392 4.654 30 20 DJED N#CC1(CC(=O)O[C@@H]2CCCC[C@@H]2C(F)(F)F)CCCCC1 1523913649 NTLPTKRPTDTFSG-QWHCGFSZSA-N 317.351 4.515 30 20 DJED C[C@@H](C(=O)Nc1scc(C(C)(C)C)c1C#N)C1CCCC1 1544839790 KJFXOSMBGNKJNL-LLVKDONJSA-N 304.459 4.682 30 20 DJED COc1ccccc1N(Cc1ccc(Cl)cc1C#N)C(C)C 1618293988 OUPYJNAVMRYEHD-UHFFFAOYSA-N 314.816 4.635 30 20 DJED C[C@@H](CCC#N)CN1C[C@@H](C)CSc2ccc(Cl)cc21 1647045134 VDHHUGUSKRUANK-QWHCGFSZSA-N 308.878 4.828 30 20 DJED Cc1cc(C)c(C#N)c(S[C@@H](C)c2ccc3c(c2)CCC3)n1 1651584532 VWOFLOARUQJIOC-AWEZNQCLSA-N 308.450 4.912 30 20 DJED CCOc1cc(C#N)ccc1OCc1ccccc1SCC 1651591334 LPAMCLCLIMXZBG-UHFFFAOYSA-N 313.422 4.648 30 20 DJED CCCCc1ccc([C@@H](Nc2cncc(C#N)n2)C(C)C)cc1 1654913357 JBGTVFUFZIJHKK-IBGZPJMESA-N 308.429 4.500 30 20 DJED CCc1ccc(C(=O)[C@H](C)Sc2ccc(C#N)c(C)c2)cc1 1656666702 IJIAOUTXOMMQRN-AWEZNQCLSA-N 309.434 4.793 30 20 DJED Cc1ccc(C)c(C(=O)/C=C\c2cccc(C(=O)O)c2Cl)c1 1776133307 SUBVTFWUUKIUEK-HJWRWDBZSA-N 314.768 4.551 30 20 DJED CC(C)Cc1ccc(/C=C\C(=O)c2ccc(C(=O)O)s2)cc1 1776340376 DURBSFDBAHIFQB-FPLPWBNLSA-N 314.406 4.541 30 20 DJED O=C(/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1 33395634 QGXPDOSREJVCFW-BENRWUELSA-N 319.316 4.751 30 20 DJED N#Cc1ccsc1C(=O)Nc1ccc(Nc2ccccc2)cc1 52034534 KIRRJOXLGDDVRW-UHFFFAOYSA-N 319.389 4.616 30 20 DJED Cc1cccc(NC(=O)c2cccc(SCC#N)c2)c1Cl 79545826 HHJUCVFYIWZAKW-UHFFFAOYSA-N 316.813 4.516 30 20 DJED N#CCC[C@H](N[C@H]1CCSc2ccccc21)c1ccccc1 90664519 PHQQAZOWEOLJQX-ROUUACIJSA-N 308.450 4.858 30 20 DJED CC(C)(C)CCCC(=O)Nc1cccc(OCCCC#N)c1 103382540 HNWAXCZTWHTPMN-UHFFFAOYSA-N 302.418 4.524 30 20 DJED Cc1cc(C)c(NCCCC(C)(C)C#N)c(Br)c1 134182527 MYLDTXJGNQRDAP-UHFFFAOYSA-N 309.251 4.808 30 20 DJED CCSc1cccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 134247570 KMCBVEIIBRIYKQ-UHFFFAOYSA-N 324.449 4.852 30 20 DJED N#C[C@@H]1CCC[C@@H](NC(c2cccs2)c2cccs2)C1 185843565 RHDKOBVRQLSJIF-CHWSQXEVSA-N 302.468 4.571 30 20 DJED C[C@H](NC[C@H](c1ccccc1)C(F)(F)F)c1cccc(C#N)c1 186846695 MOJXIKRBTMFKRH-SUMWQHHRSA-N 318.342 4.555 30 20 DJED CC[C@@H](CC(=O)Nc1ccc(F)c(C#N)c1)c1ccc(C)cc1 303902615 SVBUQUXFUADNIT-AWEZNQCLSA-N 310.372 4.528 30 20 DJED CC(C)Oc1ccccc1[C@@H](C)N[C@H](C)c1cccc(C#N)c1 320238735 WCGDQPWRIPLBMH-HZPDHXFCSA-N 308.425 4.757 30 20 DJED Cc1noc(C2CC2)c1N/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@H]2C1 329797602 FTALOEBMSWENBQ-AEGPPILISA-N 317.433 4.545 30 20 DJED Cc1cc(CN[C@@H](CCC#N)c2ccccc2)cc2cccnc12 344300059 ICHOBXSQGKKBRS-FQEVSTJZSA-N 315.420 4.678 30 20 DJED C[C@H](NCc1ccc(Cl)c2cccnc12)c1ccc(C#N)cc1 391169569 FKASXYPOCPQCCA-ZDUSSCGKSA-N 321.811 4.611 30 20 DJED C[C@@H](CCC#N)N[C@H](C)c1ccccc1OCc1ccccc1 411449462 GLBSSHSDNWIDKE-DLBZAZTESA-N 308.425 4.608 30 20 DJED N#CCc1ccc(COc2ccc(Oc3ccccc3)nc2)cc1 431860153 ULOMFNQJQZUYFE-UHFFFAOYSA-N 316.360 4.519 30 20 DJED C=CCN(CCC#N)C(=O)Nc1ccc2c(c1)oc1ccccc12 432654388 LEBZVYKZBJSINC-UHFFFAOYSA-N 319.364 4.520 30 20 DJED Cc1oc(C#N)cc1C(=O)Nc1cccc(Oc2ccccc2)c1 435395307 SBCZIOOYKIWTBD-UHFFFAOYSA-N 318.332 4.504 30 20 DJED C=CCOc1ccc(CN2CCC[C@H]2c2ccc[nH]2)cc1Cl 435771272 VBHBOVZHDAVGFN-KRWDZBQOSA-N 316.832 4.570 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1cc(Cl)ccc1F 444715363 MUCUBHORALHUJK-GFCCVEGCSA-N 302.780 4.544 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@@H](c2ccc(Cl)cc2)C2CCC2)C1 447560040 BZXHWBCKHQAIRQ-JEBQAFNWSA-N 302.849 4.853 30 20 DJED N#C[C@H]1CCC[C@@H](Nc2ccccc2COCc2ccccc2)C1 447583612 BULPYDGRURDDQF-AZUAARDMSA-N 320.436 4.898 30 20 DJED C=CCC1(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CCCC1 450267305 AGYFXRNAZBVCRG-UHFFFAOYSA-N 319.355 4.576 30 20 DJED N#CCc1ccc(NC(=O)CCC2CCCCC2)c(Cl)c1 452651726 XEAIZEBYPQENQH-UHFFFAOYSA-N 304.821 4.705 30 20 DJED CC#CCCCC(=O)N(Cc1ccccc1)[C@@H](C)c1ccccc1 462600416 FLEUFOYTWGQBKL-IBGZPJMESA-N 319.448 4.970 30 20 DJED C=C(C)C[C@H](C)C(=O)Nc1cccc(-c2nc(C)cs2)c1 464449299 JZBAEEIKFCWGOQ-LBPRGKRZSA-N 300.427 4.659 30 20 DJED N#C[C@H]1CCC[C@H](NC2(c3ccc(Cl)c(Cl)c3)CC2)C1 467446320 DLSXRFXPVQTMDL-AAEUAGOBSA-N 309.240 4.654 30 20 DJED Cc1ccc2cc([C@@H](C)NCCc3cccc(C#N)c3)oc2c1 467447965 VOFNCOYEGUSUTQ-OAHLLOKOSA-N 304.393 4.506 30 20 DJED C=CCC(CC=C)C(=O)N(CC)C12CC3CC(CC(C3)C1)C2 467519997 GNRGSBLYRHVVBO-UHFFFAOYSA-N 301.474 4.572 30 20 DJED Cc1cccc(C(N[C@H]2CC[C@H](C#N)C2)c2cccc(C)c2)c1 471597779 HGYUOQLEMSHBFC-PXNSSMCTSA-N 304.437 4.675 30 20 DJED CC(C)[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1 474417376 UNEIIPJUKHPQQM-FPOVZHCZSA-N 320.436 4.587 30 20 DJED N#CC[C@H](CC(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccccc1 474418037 WJANLZJDRFSYTF-IYWMVGAKSA-N 324.468 4.549 30 20 DJED C=CCC1(C(=O)N2CCc3ccc(C(C)(C)C)cc3C2)CCC1 480565788 XDOYYIRLYFFTLQ-UHFFFAOYSA-N 311.469 4.615 30 20 DJED C=C(C)[C@H](N[C@@H](C)c1ccc(Cl)cn1)c1ccc(F)c(F)c1 480676847 OWDSVGXJTYJMTM-GTNSWQLSSA-N 322.786 4.981 30 20 DJED C=C(C)[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1ccc(F)c(F)c1 480696237 UUCCNZCFLJCVFF-RTBURBONSA-N 317.354 4.998 30 20 DJED N#Cc1ccc(CN2CCC(c3ccc(Cl)cc3)CC2)s1 482502193 BQBMACZKQTWSIT-UHFFFAOYSA-N 316.857 4.653 30 20 DJED CCN(Cc1ccc(-c2ccccc2Cl)o1)C[C@@H](C)C#N 509796871 DOUNGCZEKLSRCF-ZDUSSCGKSA-N 302.805 4.582 30 20 DJED C[C@H](C#N)CN(C)Cc1ccc(-c2ccccc2Cl)s1 509810193 GCGVSJNSPVNSOS-GFCCVEGCSA-N 304.846 4.660 30 20 DJED N#CCc1ccc(NCc2ccc(-c3ccccc3F)o2)cc1 513605827 YQAVOHYMWLOYFL-UHFFFAOYSA-N 306.340 4.764 30 20 DJED CCc1ccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cc1 517492074 KUMPSYIMHPINIS-IBGZPJMESA-N 320.436 4.541 30 20 DJED C=C(C)CN(CC)C(=O)N[C@H](c1ccccc1Cl)C(C)C 523779369 DBBIUQPHMCXRBJ-INIZCTEOSA-N 308.853 4.645 30 20 DJED CC[C@@H](Nc1cccc(F)c1C#N)c1ncc(-c2ccccc2)[nH]1 537091174 QVPDRIRKGZDDCN-MRXNPFEDSA-N 320.371 4.651 30 20 DJED C=CCOc1ccc(-c2nnc(S[C@H]3CC[C@H](C)C3)o2)cc1 558847764 ZIJYLRNOFABSDB-WFASDCNBSA-N 316.426 4.582 30 20 DJED Cc1ccccc1-c1ccccc1CN1CCC(CC#N)CC1 560113947 VISSFGBYQODGPK-UHFFFAOYSA-N 304.437 4.788 30 20 DJED C[C@@H](Sc1cc(C#N)ncn1)c1ccc(Cl)c(Cl)c1 563772308 CRGVZVFNLIXOSE-MRVPVSSYSA-N 310.209 4.508 30 20 DJED C[C@@H](c1cccc(Cl)c1)N(C)Cc1cn2ccccc2c1C#N 603856627 NMLULDPXUIXWHG-AWEZNQCLSA-N 323.827 4.657 30 20 DJED CC[C@@H](N[C@H]1CSCc2ccccc21)c1ccc(C#N)cc1 618570503 LYMHJWGRWCYFFV-MOPGFXCFSA-N 308.450 4.587 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Cc1cc2ccccc2o1 684234802 HFRKVAWRTVLTSY-UHFFFAOYSA-N 319.404 4.580 30 20 DJED Cc1cc(C)cc(C(=O)/C=C\c2cccc(OCCCC#N)c2)c1 730436338 ICGOTSZKVILLMD-HJWRWDBZSA-N 319.404 4.882 30 20 DJED CC[C@@H](C)OC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732498232 UUQLHWFPEMXZJB-CQSZACIVSA-N 309.365 4.500 30 20 DJED CC(=NNc1ncccc1Cl)C(C)(C)c1ccc(F)cc1 734980829 WUTMMJWJIMHYKW-UHFFFAOYSA-N 305.784 4.640 30 20 DJED C=CC[C@H](NCc1csc(Cl)c1Cl)c1ccncc1 762443000 LRPSDHJTYKKASQ-LBPRGKRZSA-N 313.253 4.857 30 20 DJED CCC[C@@H](C=NNc1oc(C(C)C)nc1C#N)c1ccccc1 769574346 LNSWQBAFUQUBQX-HNNXBMFYSA-N 310.401 4.651 30 20 DJED Cc1ccoc1C(=O)/C=C/c1ccc(OC(F)F)c(Cl)c1 769783338 CNDNXIBIDAQHPH-DUXPYHPUSA-N 312.699 4.739 30 20 DJED O=C(/C=C/c1scnc1C1CC1)c1c[nH]c2cc(F)ccc12 782327536 LILKVQXGNOBKBR-AATRIKPKSA-N 312.369 4.537 30 20 DJED Clc1cccc(NN=Cc2csc(Cl)c2Cl)n1 793174108 JLVMBDFGVIOVSX-UHFFFAOYSA-N 306.605 4.549 30 20 DJED C[C@@H](C#N)OCCN(Cc1cccc2ccccc12)C1CCCC1 801917473 DPQKOXKBESJSCR-KRWDZBQOSA-N 322.452 4.513 30 20 DJED N#Cc1sc(N2CCC[C@H]2c2ccc(Cl)cc2)nc1Cl 804342223 GKXABGNWYDRBQJ-NSHDSACASA-N 324.236 4.663 30 20 DJED CC(C)[C@@H](Cc1ccccc1)NN=C1CCC[C@@H]1C(C)(C)C#N 814906801 KHYXQBILEAGKJZ-PKOBYXMFSA-N 311.473 4.549 30 20 DJED CCOc1ccc(NN=Cc2cscc2C(F)(F)F)cc1 814985496 IYGFTYIYYXEVKI-UHFFFAOYSA-N 314.332 4.612 30 20 DJED N#C[C@H](C(=O)[C@H](F)CC1CCCCC1)c1nc(C2CC2)cs1 842945766 RXNDKTMFWIQDMX-ZIAGYGMSSA-N 320.433 4.505 30 20 DJED COc1cc(/C=C\C(=O)c2cccc3ccccc23)cc(OC)c1 916134955 ZTFFLLSPITWDOY-KHPPLWFESA-N 318.372 4.753 30 20 DJED C=CCn1c(SC[C@H]2CC2(Cl)Cl)nc2ccccc21 916433702 SSPGSTNLYAUGFB-SNVBAGLBSA-N 313.253 4.508 30 20 DJED CCOc1ccc(O)c(C=Nc2cccc(C(F)(F)F)c2)c1 920945898 JOBNGQHFWNFNKB-UHFFFAOYSA-N 309.287 4.560 30 20 DJED O=C1/C(=C\c2csc3ccccc23)COc2c(F)cccc21 921266084 ISJNRWUZLWMPAA-FLIBITNWSA-N 310.349 4.699 30 20 DJED Cc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1OC(C)C 1128512118 IAYBKEXJPJUAGO-UHFFFAOYSA-N 314.429 4.585 30 20 DJED COc1ccc(C#N)cc1CN[C@H](CC(C)C)c1ccccc1C 1168723987 PUUQTXKMDAOXFD-HXUWFJFHSA-N 322.452 4.752 30 20 DJED C=C(Br)COc1ccc(Cl)c(C(F)(F)F)c1 1307267441 FPALHNTUEPWPFN-UHFFFAOYSA-N 315.516 4.646 30 20 DJED N#Cc1c(F)cccc1CNC[C@H]1CCCC[C@H]1c1ccccc1 1308765080 FIDBXMDJNSAQBY-MJGOQNOKSA-N 322.427 4.761 30 20 DJED CN(C(=O)c1ccc(-c2ccccc2)s1)c1ccccc1C#N 1319451947 RXMYXMMSVNPBDB-UHFFFAOYSA-N 318.401 4.563 30 20 DJED COc1cc(/C=C(\C)c2ccc3ccccc3n2)ccc1C#N 1344636223 ANCBWDALNSCAMG-SDNWHVSQSA-N 300.361 4.676 30 20 DJED CC[C@H](C)CC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 1357956678 ZKHIDIKFJJJNQN-LBPRGKRZSA-N 324.449 4.760 30 20 DJED N#Cc1cnc(N[C@H](CC2CCCC2)c2ccccc2)c(F)c1 1472737957 YZHRBJLFNWQXGC-GOSISDBHSA-N 309.388 4.826 30 20 DJED CSc1ccccc1[C@H](C)Nc1nc(C)c(C#N)cc1Cl 1472768489 KFPBNUUHHBJISQ-NSHDSACASA-N 317.845 4.810 30 20 DJED C[C@H]1C[C@@H](C)Cc2c1sc(NC(=O)CCC1CCC1)c2C#N 1583690735 SFTSLOGCDRZBLE-NEPJUHHUSA-N 316.470 4.824 30 20 DJED CC[C@H]1CCCC[C@@H]1C(=O)N(c1ccccc1C#N)C1CCC1 1617593628 AMSRNAJLMPHLEI-YJBOKZPZSA-N 310.441 4.660 30 20 DJED CC(C)(C)[C@@H]1CN(C(=O)c2ccccc2CC#N)c2ccccc21 1626454533 SQZRRJGQBCVRAZ-GOSISDBHSA-N 318.420 4.543 30 20 DJED Cc1cccc(-n2c(SCC3(C#N)CC3)nc3ccccc32)c1 1640661812 RJBGVTMNHYLDAS-UHFFFAOYSA-N 319.433 4.730 30 20 DJED CC[C@H](Nc1ncc(Cl)c(C)c1C#N)c1ccc(F)cc1F 1642292483 PMSRNSVXAKTNAL-HNNXBMFYSA-N 321.758 4.757 30 20 DJED CC(C)(C)c1cnc(SCc2ccc(Cl)cc2C#N)[nH]1 1644151015 XZOSWPBZVRHMFT-UHFFFAOYSA-N 305.834 4.525 30 20 DJED CC[C@@H]1CCCC[C@@H]1N(C)c1ccc(C#N)c(Br)c1 1655259333 ZQOHEHYKCMFWIX-WBMJQRKESA-N 321.262 4.726 30 20 DJED Cc1ccc(C2(CN[C@H]3CCC[C@H](C#N)C3)CCCC2)c(C)c1 1659324585 MBLXEERGUZSWFS-OALUTQOASA-N 310.485 4.787 30 20 DJED CCc1cccc2cc(/C=C/C(=O)c3cccc(C(=O)O)c3)oc12 1776977836 OQLGMNUMLXAPEQ-MDZDMXLPSA-N 320.344 4.590 30 20 DJED C=CCN(Cc1nc2ccccc2o1)Cc1ccc(Cl)s1 61758859 JHTHQOQJTXRJFI-UHFFFAOYSA-N 318.829 4.731 30 20 DJED CC(C)[C@@H](C)SCC(=O)c1cn(CCC#N)c2ccccc12 79081837 SXHDQBPVABVYLS-CQSZACIVSA-N 314.454 4.515 30 20 DJED Cc1csc(-c2cccc(NCc3cc(C#N)cs3)c2)n1 125822404 SXUSEXKJLIFTKS-UHFFFAOYSA-N 311.435 4.664 30 20 DJED Cc1ccccc1C1CC(Nc2ccccc2O[C@@H](C)C#N)C1 128238550 ZHGZQRRDRXKOCW-GTPINHCMSA-N 306.409 4.644 30 20 DJED N#CCC[C@@H](NCc1cnc(C2CCC2)s1)c1ccccc1 130509110 MCQFRQPDLXUYIJ-QGZVFWFLSA-N 311.454 4.545 30 20 DJED CC(C)(C#N)CCCSCc1csc(-c2ccco2)n1 161261227 JNTHLLCQYJKXPE-UHFFFAOYSA-N 306.456 4.966 30 20 DJED O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)c1cccnc1 171157381 OFTXOVSIJKKGMY-GQCTYLIASA-N 311.690 4.650 30 20 DJED CC(C(=O)Nc1ccccc1S[C@H](C)CC#N)=C1CCCC1 176630451 PVPCYYJYPJFSFV-CYBMUJFWSA-N 314.454 4.910 30 20 DJED Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc(F)cc1Cl 186322251 QANBQFIJPMRZKJ-LBPRGKRZSA-N 302.780 4.510 30 20 DJED O=C(/C=C/c1ccc(OCc2ccncc2)cc1)c1ccsc1 194615010 ATIXKXCPFUJGEP-ZZXKWVIFSA-N 321.401 4.618 30 20 DJED CC(C)c1cccc(C(C)C)c1NC(=O)N(C)C[C@H](C)C#N 264079947 CYWYGRVAJOAVCK-CQSZACIVSA-N 301.434 4.557 30 20 DJED N#CC1(CCCSCCCCc2ccccc2)CCOCC1 281099497 YESIELMYYNWIJM-UHFFFAOYSA-N 317.498 4.843 30 20 DJED O=C(/C=C/C=C/c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 303084607 AVKATIWWUBGYIO-LWUHNEAVSA-N 313.740 4.701 30 20 DJED Cc1ccc(F)c(/C=C/C(=O)c2ccc(OC(F)F)cc2)c1 303605661 AWEIFGRXXUTIIW-WEVVVXLNSA-N 306.283 4.632 30 20 DJED C=CCCCOC(=O)Cc1csc(-c2ccccc2Cl)n1 303647147 AEBIXYPUJGNAAX-UHFFFAOYSA-N 321.829 4.515 30 20 DJED Cc1c([C@H](C)/N=C(/O)[C@@H]2CCC(=O)[C@@H](C)C2)oc2ccccc12 328894318 ATCQQPLGFFZQNJ-FPMFFAJLSA-N 313.397 4.764 30 20 DJED N#CCCCOc1cccc(CN(Cc2ccccc2)C2CC2)c1 349802593 VHZHWUFDMXMPPG-UHFFFAOYSA-N 320.436 4.534 30 20 DJED Cc1nc(C(C)C)oc1CN[C@@H](CCCC#N)c1ccccc1 433025126 HTYQODZKCYVBDI-KRWDZBQOSA-N 311.429 4.631 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc2ccccc2s1 436300589 JYLNKOYRHOYGEK-SIIHOXLZSA-N 301.455 4.533 30 20 DJED N#CCC[C@@H](C#N)CN1CCCc2cc(-c3ccccc3)ccc21 440976943 WZNAZUGGQJXRNW-KRWDZBQOSA-N 315.420 4.550 30 20 DJED CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccccc1SC[C@@H](C)C#N 448936771 IBVAPLBGVDBXIC-RRFJBIMHSA-N 316.470 4.559 30 20 DJED C=CCC1(C(=O)N2CCC(c3ccsc3)CC2)CCCC1 450756426 KPBDFOHLJBNUFX-UHFFFAOYSA-N 303.471 4.591 30 20 DJED CC(C)c1cccc(N(C)C(=O)C[C@@H](CC#N)c2ccccc2)c1 475169921 FPDDPKDVRHDWSM-LJQANCHMSA-N 320.436 4.860 30 20 DJED Cc1cccc([C@@H](C)NC(=O)C[C@H](CC#N)c2ccccc2)c1C 476062529 OSZSFZGLLFYMMC-MJGOQNOKSA-N 320.436 4.568 30 20 DJED C=CCCCC(=O)N[C@H](c1ccccc1)c1ccc(OCC)cc1 479544238 RDVZFLHKFOWVRS-OAQYLSRUSA-N 323.436 4.647 30 20 DJED N#CCc1cccc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)c1 488263587 ICHFQRMDHMSSLB-HXUWFJFHSA-N 324.468 4.718 30 20 DJED CCC[C@@H](C)CC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 505991872 OFUCQTRNKKZNGL-YGRLFVJLSA-N 313.228 4.501 30 20 DJED C=C(C)CCS[C@@H](C)c1nc(Cc2ccc(F)cc2)no1 507871647 CNPWQIHRLZFXSK-LBPRGKRZSA-N 306.406 4.560 30 20 DJED C=C[C@@H](CC(=O)N1CCc2cccc(F)c2[C@H]1C)c1ccccc1 535397413 UKHXNPZDMLUVRD-CVEARBPZSA-N 323.411 4.631 30 20 DJED Cc1ccccc1[C@@H](CC(C)C)NCc1ccc(F)c(C#N)c1 537058992 IQMMBUCULISWRJ-HXUWFJFHSA-N 310.416 4.883 30 20 DJED N#CCC1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 541921011 TXGJBOGJFCMQCD-UHFFFAOYSA-N 314.429 4.680 30 20 DJED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Oc2ccccc2)cc1 549535959 MUVUCOLQOPJPNF-LZLYRXPVSA-N 306.409 4.822 30 20 DJED CC1(C)C[C@@H](NC2(c3cccc(C#N)c3)CC2)c2ccccc21 556602862 CWERECFCXKFFOF-LJQANCHMSA-N 302.421 4.560 30 20 DJED N#Cc1ccc(CN[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)s1 574884809 GXJSWKAMGZVECS-DLBZAZTESA-N 316.857 4.699 30 20 DJED C[C@H](SCc1cccnc1C(F)(F)F)c1cccc(C#N)c1 600626303 GNONDCOOLKEKKY-NSHDSACASA-N 322.355 4.966 30 20 DJED C=CCN(CCc1ccccc1)C(=O)C(C)(C)Cc1ccccc1 605088629 YOOZVOSTSCRRLW-UHFFFAOYSA-N 321.464 4.513 30 20 DJED C[C@H](Nc1ccn([C@@H](C)c2ccccc2)n1)c1cccc(C#N)c1 611475560 CGBKUFQPEGJCII-HOTGVXAUSA-N 316.408 4.537 30 20 DJED Cc1cc(Oc2ccccc2)ccc1NC(=O)CC(C)(C)C#N 618653002 BTESGWQYYVGGOB-UHFFFAOYSA-N 308.381 4.666 30 20 DJED CCC(C)=NNc1ncnc2scc(-c3ccc(C)cc3)c12 725827881 ZJHZCQVRYIYPRI-UHFFFAOYSA-N 310.426 4.865 30 20 DJED C=CCN(C(=O)N[C@H](CCCCC)c1ccccc1)C(C)C 728133279 CFKOYBNOIVMOMK-GOSISDBHSA-N 302.462 4.914 30 20 DJED Fc1cccc(NN=Cc2c(Cl)cccc2OC(F)F)c1 732924617 AQANFEPMELNWIJ-UHFFFAOYSA-N 314.694 4.527 30 20 DJED C=CCN(C(=O)NCc1ccc(-c2cccc(C)c2)cc1)C(C)C 735576248 FPXSLPMYDLJLFZ-UHFFFAOYSA-N 322.452 4.768 30 20 DJED CCCCCS[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 774660173 XKBKHVXNFAFIEN-INIZCTEOSA-N 318.486 4.554 30 20 DJED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1cc2ccccc2[nH]1 775627023 FKQAPDPDAFOXQM-CRAIPNDOSA-N 303.409 4.864 30 20 DJED CSc1ccc(C(=O)/C=C\c2scnc2C2CC2)cc1 782313111 MQLSVAOGPCDGMD-HJWRWDBZSA-N 301.436 4.639 30 20 DJED CCOc1c(Cl)cccc1/C=C\C(=O)c1ccc(C#N)s1 782351086 HTFRLTTTXRAWPT-VURMDHGXSA-N 317.797 4.568 30 20 DJED Cc1oc2ccccc2c1/C=C/C(=O)c1cnn(C(C)C)c1C 787187821 XVXFAEYUIIRTBS-MDZDMXLPSA-N 308.381 4.723 30 20 DJED Cc1cc(C(=O)/C=C/c2cc(Cl)cc(C(F)(F)F)c2)no1 806556358 RVPJIHGXHYBOCQ-NSCUHMNNSA-N 315.678 4.551 30 20 DJED C[C@@H]1/C(=C/c2ccccc2OC(F)F)C(=O)c2ccccc21 809158796 DHYVFHTYONESKT-SAIXKJTDSA-N 300.304 4.671 30 20 DJED O=C1/C(=C/c2cscc2C(F)(F)F)Cc2c(F)cccc21 811689757 KSTNOMKQQTWZFL-XBXARRHUSA-N 312.287 4.728 30 20 DJED Fc1ccc(CON=C2CCC(OC3CCCC3)CC2)cc1 834970096 XJHXCFJHUUFARG-UHFFFAOYSA-N 305.393 4.600 30 20 DJED Cn1ncc(C2CC2)c1/C=C/C(=O)c1cccc(Cl)c1Cl 849245691 SXOVPSBNGWYMCI-BQYQJAHWSA-N 321.207 4.500 30 20 DJED C=CCN(C(=O)Nc1ccc(-c2csc(C)n2)cc1)C(C)C 916707123 STFZEQKSYRVWQO-UHFFFAOYSA-N 315.442 4.547 30 20 DJED Cc1ccc(CNc2nc(C#N)c(Cl)s2)c2ccccc12 1163507309 BEENOAVRDVTZGA-UHFFFAOYSA-N 313.813 4.742 30 20 DJED COc1ccc([C@@H](C)SCc2ccc(OCC#N)cc2)cc1 1165585544 OFGNNUKGBVHKNS-CQSZACIVSA-N 313.422 4.592 30 20 DJED N#CC1(c2ccc(-c3cncc4sccc34)cc2)CCOCC1 1330705595 UZBXGMTYSFQVQW-UHFFFAOYSA-N 320.417 4.535 30 20 DJED CC(C)C(C)(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 1355656524 OWEIDSGTOOWUOC-UHFFFAOYSA-N 322.408 4.971 30 20 DJED Cc1nc(N[C@@H]2CC(C)(C)CCc3ccccc32)ccc1C#N 1458332632 CMXHPVQIYNBKBK-GOSISDBHSA-N 305.425 4.777 30 20 DJED CC(C)(C#N)c1ccccc1CN1CC[C@@H]1c1ccc(F)cc1 1460366473 ZKJBIWGNXVUHNT-LJQANCHMSA-N 308.400 4.574 30 20 DJED Cc1c(C#N)cccc1C(=O)N1C[C@H](C(C)(C)C)c2ccccc21 1524697706 VSKMAFCKMVBWTF-SFHVURJKSA-N 318.420 4.657 30 20 DJED CC[C@H](CC(=O)N(CC)c1ccc(C#N)c(Cl)c1)C(C)C 1535605962 SZICILGECPWXKD-CYBMUJFWSA-N 306.837 4.637 30 20 DJED CC(C)c1ccc(C(=O)Nc2cc(F)cc(C#N)c2)cc1Cl 1544396798 IGXWYWCAZMAMHA-UHFFFAOYSA-N 316.763 4.726 30 20 DJED N#Cc1ccccc1-c1ccc(CSC[C@H]2CCCO2)cc1 1559398181 JOAJMECBHQOGEW-GOSISDBHSA-N 309.434 4.637 30 20 DJED CCCCN(Cc1cccc(C#N)c1F)[C@@H](C)c1ccc(C)o1 1559504849 UYFXFAUQAQVUIE-HNNXBMFYSA-N 314.404 4.962 30 20 DJED CC(C)c1ccc(C[C@@H]2CCN([C@@H](C#N)c3ccccc3)C2)cc1 1559722994 JIDIKYWPILOQLA-UGKGYDQZSA-N 318.464 4.939 30 20 DJED CC1(C)CCC[C@H](CNC(=O)Nc2ccc(C#N)c(Cl)c2)C1 1562110831 WMZSOHJMXBMPNL-LBPRGKRZSA-N 319.836 4.550 30 20 DJED C[C@H]1N(C(=O)CC2(C#N)CCCCC2)c2ccccc2C1(C)C 1587370258 YGAPQNTZXYQQSE-OAHLLOKOSA-N 310.441 4.563 30 20 DJED N#Cc1cnc(N[C@H](C2CCCCC2)C2CCC2)c(Cl)c1 1612528542 BMMBBAHGVUPUMC-MRXNPFEDSA-N 303.837 4.768 30 20 DJED N#Cc1ccc(CN(c2ccccc2F)C2CCCC2)s1 1615988735 MDQGVGQAEZZYOG-UHFFFAOYSA-N 300.402 4.708 30 20 DJED CC[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccc(F)cc1 1616523825 YEMHCBQRPDBYGQ-LJQANCHMSA-N 310.416 4.868 30 20 DJED CCN(Cc1c(Cl)cccc1SC(C)C)C[C@H](C)C#N 1621183856 UYEDABNBQHUSSM-CYBMUJFWSA-N 310.894 4.822 30 20 DJED Cc1cc(Oc2ccnc(-c3ccccc3)n2)c(C)c(C)c1C#N 1655458524 ZRLXVASBRMMVFO-UHFFFAOYSA-N 315.376 4.733 30 20 DJED CCCC[C@H](C)N(CCCC)C(=O)Nc1ccc(CC#N)cc1 1666432574 WSLLYJQVXLSKFB-INIZCTEOSA-N 315.461 4.965 30 20 DJED CC(C)(C)[C@H]1CCC[C@@H](NC(=O)Nc2cccc(C#N)c2)CC1 1667575296 STPUIYYOPPMTMB-JKSUJKDBSA-N 313.445 4.675 30 20 DJED C[C@H](CCC1CCCCC1)NC(=O)Nc1ccc(C#N)c(F)c1 1672080682 ROKIPFJDMDJENL-CYBMUJFWSA-N 317.408 4.568 30 20 DJED O=C(O)c1cccc(NN=C2CCCCC[C@H]2c2ccccc2)c1 1776037995 MWTPOZDLWBYJOA-SFHVURJKSA-N 322.408 4.901 30 20 DJED C=CCc1ccccc1/C=C/c1ccc2cc(C(=O)O)ccc2n1 1776189078 IYDYEOHHRJPTNW-DHZHZOJOSA-N 315.372 4.832 30 20 DJED COc1cccc2cc(C(=O)/C=C/c3ccc(F)c(F)c3)oc12 7716066 PHBDBHZPRSQBHB-SOFGYWHQSA-N 314.287 4.616 30 20 DJED N#Cc1cccc(COC(=O)c2sccc2-c2ccccc2)c1 10985764 OAFUNMADXJSMHJ-UHFFFAOYSA-N 319.385 4.644 30 20 DJED N#Cc1cccc(CN[C@H](c2ccc(F)cc2)c2cccs2)c1 53098841 REJQQTOIRTYWEP-LJQANCHMSA-N 322.408 4.638 30 20 DJED COc1ccc2cc(CN[C@H](C)c3ccc(C#N)cc3)ccc2c1 75755710 JZFXQMKBVBQFQW-OAHLLOKOSA-N 316.404 4.571 30 20 DJED CSc1ccc(C(=O)/C=C/c2c(C)noc2C)c(Cl)c1 122230823 LLJZULRUCWVKGN-VOTSOKGWSA-N 307.802 4.563 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2cccc(-c3cccnc3)c2)cc1 128823785 BQRJHIQFPBFMBF-DHZHZOJOSA-N 310.356 4.516 30 20 DJED C=CCC(CC=C)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 151128801 XLTCGPOURPCWBF-INIZCTEOSA-N 320.436 4.694 30 20 DJED CCN(C(=O)c1ccc(SC(C)C)cc1)c1ccc(C#N)cc1 152209736 BJEWXDJUJBJZHN-UHFFFAOYSA-N 324.449 4.725 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1cccc(C(F)F)c1 171391932 QDKUEVRIXMCBNY-UHFFFAOYSA-N 316.351 4.844 30 20 DJED N#CCCN(Cc1ccc(SC(F)F)cc1)Cc1ccco1 176290499 QLYHMYMWVGBJMK-UHFFFAOYSA-N 322.380 4.510 30 20 DJED COc1ccccc1-c1ccc(/C=C/C(=O)c2ccncc2)cc1 182247785 KCYQTCBKHQYICQ-DHZHZOJOSA-N 315.372 4.653 30 20 DJED CC(C)c1ccc(/C=C2/Cc3ccccc3C2=O)cc1[N+](=O)[O-] 214741058 LMKBZNLLCHDXTM-DHDCSXOGSA-N 307.349 4.541 30 20 DJED C[C@H](NCc1cccc(C#N)c1)c1nc(-c2ccccc2)cs1 237484835 GLQAROIVCJWSSG-AWEZNQCLSA-N 319.433 4.533 30 20 DJED CCc1noc(CC)c1C/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 329162808 GDJUVQTWAHFVSN-RRFJBIMHSA-N 318.461 4.862 30 20 DJED Cc1cc(CSCc2nc3ccccc3nc2C)ccc1C#N 447413503 MROZPKNUZBRHCQ-UHFFFAOYSA-N 319.433 4.552 30 20 DJED CC1(C#N)CCC(N[C@@H](c2ccccc2)c2cccc(F)c2)CC1 449185499 BEYQJGYXMQIUQR-KBWCOIMZSA-N 322.427 4.977 30 20 DJED CCCC[C@H](CC)C(=O)N(Cc1ccco1)c1ccccc1C#N 463353914 LATOKBPXRPQXFU-INIZCTEOSA-N 324.424 4.901 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)c1cc2cccc(C)c2o1 501654593 JSKNIHWBTAFAII-UHFFFAOYSA-N 323.367 4.709 30 20 DJED CC(C)C[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 504213381 RWNZAXRZZZXGPP-IBGZPJMESA-N 321.424 4.662 30 20 DJED C[C@H]1CCC[C@H](CC(=O)Nc2sc3c(c2C#N)CCCC3)C1 504354989 GIPOMHXOOBSLAO-STQMWFEESA-N 316.470 4.653 30 20 DJED C=C[C@H](CC(=O)Nc1cccc(CSC)c1)c1ccccc1 536245186 SIRDRMLYRQQWIA-MRXNPFEDSA-N 311.450 4.848 30 20 DJED Cc1ccoc1CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542948439 VZWLTABQRKNPEY-INIZCTEOSA-N 316.404 4.978 30 20 DJED N#CCc1cccc(-c2nc(-c3ccc4ccccc4c3)no2)c1 571806642 DJJLDDDZKDKPPO-UHFFFAOYSA-N 311.344 4.623 30 20 DJED C[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1cccc2ccccc12 582578591 OGPXEMQQKLSZST-ZDUSSCGKSA-N 317.348 4.793 30 20 DJED C[C@H](CCC#N)CN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 602658738 XHWCKSSGRGNSAC-MRVWCRGKSA-N 311.256 4.769 30 20 DJED C=CCCCCCN(C)Cc1cc(-c2ccc(OC)cc2)no1 606902719 XMWUKWPZDPTCNU-UHFFFAOYSA-N 314.429 4.528 30 20 DJED C[C@H](C(=O)Nc1sc(-c2ccccc2)cc1C#N)c1ccco1 610171455 JDKHYIHEDRSXTP-LBPRGKRZSA-N 322.389 4.622 30 20 DJED N#Cc1c(Cl)cccc1N[C@@H](c1ccccc1)c1ccccn1 619511155 RNBQUOLEGZSSNC-IBGZPJMESA-N 319.795 4.808 30 20 DJED C=CCC[C@H](N[C@@H](C)c1nccn1-c1ccccc1)c1ccco1 672617165 MYYHBUIBNIVRSG-WMZOPIPTSA-N 321.424 4.823 30 20 DJED C#Cc1cccc(NC(=S)N(C)Cc2ccc(C(C)C)cc2)c1 726439826 MGJTZMNXBWKFNA-UHFFFAOYSA-N 322.477 4.620 30 20 DJED CCCCC[C@@H](NC(=O)Cc1ccc(C#N)cc1)c1ccccc1 728007239 GTPHBIHWZQMYTC-HXUWFJFHSA-N 320.436 4.539 30 20 DJED O=C1/C(=C/c2ccc3ncccc3c2)Oc2ccc(Cl)cc21 729151037 NDLMYFGTUUFABY-MFOYZWKCSA-N 307.736 4.504 30 20 DJED CC(C)c1cnc(CON=Cc2cccc(Cl)c2Cl)o1 733303830 CXUUJTQGPSJJEJ-UHFFFAOYSA-N 313.184 4.656 30 20 DJED COCc1ccc(/C=C/C(=O)c2c(C)[nH]c3ccccc23)cc1 741846903 DCMVYTFBZXVWMI-VAWYXSNFSA-N 305.377 4.519 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1cccc(Cl)c1 746346496 QCWVQPVJGWPYHS-HJWRWDBZSA-N 302.805 4.630 30 20 DJED CC(C)(C)c1ncc(/C=C2\Cc3c(F)ccc(F)c3C2=O)s1 749582573 PDNAXZWEQJHIJR-RMKNXTFCSA-N 319.376 4.541 30 20 DJED O=C1/C(=C\c2coc(-c3ccccc3)n2)Cc2cc(Cl)ccc21 749894573 SZKGOLCSRLHGEW-UVTDQMKNSA-N 321.763 4.817 30 20 DJED C=CC[C@H](NCc1ccc(Oc2ccccc2)o1)c1ccncc1 779975356 FKOFIUGJNBDTFO-IBGZPJMESA-N 320.392 4.874 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1ccc(Cl)nc1C 788807635 DCTFWHPHAZAGCJ-UHFFFAOYSA-N 321.852 4.644 30 20 DJED CCCCCCCC[S@](=O)Cc1ccc(C(F)(F)F)cn1 790601859 QBRZQPYAJJYFPE-NRFANRHFSA-N 321.408 4.710 30 20 DJED Cc1cc(C(=O)/C=C\c2cscc2Br)oc1C 794712686 JZPGEGKATDNAPS-ARJAWSKDSA-N 311.200 4.617 30 20 DJED FCC[C@@H]1CCCC1=NOCc1ccc(C(F)(F)F)cc1 794924139 VCUHAIASFDOZIT-LBPRGKRZSA-N 303.299 4.738 30 20 DJED CC(C)(C#N)[C@@H]1CCCC1=NNc1cc(Cl)nc(Cl)c1 819828757 PGKAQUOGCFYFIY-SNVBAGLBSA-N 311.216 4.506 30 20 DJED Cc1cc(/C=C\C(=O)c2ccncc2)c(C)n1C1CCCCC1 917030907 OYCPTHLOIIOAKN-HJWRWDBZSA-N 308.425 4.901 30 20 DJED C=C(C)[C@@H](CC(=O)Nc1ccc(C)c(Cl)c1Cl)OCC 1116399441 CWVNOLJIUBERTJ-GFCCVEGCSA-N 316.228 4.612 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)c3cccs3)c2C#N)[C@H](C)C1 1129332389 HFXOCEKMZFXBHM-VHSXEESVSA-N 316.451 4.619 30 20 DJED CC[C@@H](C#N)C(=O)N[C@H](c1ccccc1C)C1CCC(C)CC1 1144715315 FHSUJSIRTXUOQD-DRWNQKMKSA-N 312.457 4.528 30 20 DJED Cc1ccc(C2(CNc3cc(C)c(C#N)cn3)CCCC2)c(C)c1 1163408257 KBHVEMXQIQYJSV-UHFFFAOYSA-N 319.452 4.802 30 20 DJED CCc1ccc([C@H]2C[C@H](C)CCN2Cc2ccc(CC#N)cc2)o1 1167508314 GENXMFBNCRIKCR-OXQOHEQNSA-N 322.452 4.881 30 20 DJED CCC(CC)CN(CCC#N)Cc1cscc1C(F)(F)F 1180031164 WKTMJLHWEAJVLS-UHFFFAOYSA-N 318.408 4.919 30 20 DJED N#Cc1nc(Oc2ccc(-c3cscn3)cc2)sc1Cl 1185555327 OOCQYVLEPCCVMF-UHFFFAOYSA-N 319.798 4.584 30 20 DJED Cc1ccc(Oc2cccc(NC(=O)N[C@H](C)CC#N)c2)c(C)c1 1208383402 HSEPGNJWOABNBR-OAHLLOKOSA-N 323.396 4.519 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1ccc([C@@H](C)CC)cc1 1293064954 WTWGYANKJMGSED-INIZCTEOSA-N 314.473 4.992 30 20 DJED C=CCC1(c2nnc(Cc3cccc4ccccc34)o2)CCC1 1327932476 MEOPSYDEWWIUBK-UHFFFAOYSA-N 304.393 4.811 30 20 DJED CC(C)c1ccc(C2(C(=O)[C@H](C#N)c3ccccn3)CCC2)cc1 1347093319 SJGQVJVBIKUNHF-GOSISDBHSA-N 318.420 4.503 30 20 DJED C[C@H]1CCc2c(sc(NC(=O)CCCC(C)(C)C)c2C#N)C1 1350720404 UQUBNGPWERRIAG-LBPRGKRZSA-N 318.486 4.899 30 20 DJED CC(C)(C)C1CCC(CC(=O)Nc2ccc(CC#N)cc2)CC1 1353514269 JYXQHMPLRRXGIH-UHFFFAOYSA-N 312.457 4.934 30 20 DJED CC[C@@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)C1CCC(C)CC1 1354184741 RZHQMRJHXWUINE-IRSFRRDYSA-N 312.457 4.588 30 20 DJED N#Cc1ccc(NC(=O)CCCC2CCCCC2)cc1Cl 1354787846 SFXHSZSOMLVQKG-UHFFFAOYSA-N 304.821 4.901 30 20 DJED CCC(CC)[C@@H](C)C(=O)N(CC(C)C)c1ccc(C#N)cc1 1358198233 DFOWNSDLUFBNRP-OAHLLOKOSA-N 300.446 4.620 30 20 DJED Cc1ccnc(NCC2(c3ccc(F)cc3)CCCCC2)c1C#N 1458132422 JECOPJHCRVXRQE-UHFFFAOYSA-N 323.415 4.715 30 20 DJED Cc1cc(N(C)Cc2ccccc2-c2ccccc2)c(C#N)cn1 1458151311 IPHHUXSPWUNQIS-UHFFFAOYSA-N 313.404 4.565 30 20 DJED N#CC1(CN2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 1473445101 ZOWGPTCXMBUNQK-MRXNPFEDSA-N 322.374 4.926 30 20 DJED CC[C@H](OC(=O)c1cc(C#N)cs1)c1cccc(Cl)c1 1536178070 YCLOXMHYQYRPJK-ZDUSSCGKSA-N 305.786 4.581 30 20 DJED CCc1ccc([C@H](C#N)N(C)C(=O)C2CCCCCCC2)cc1 1544889266 ZQBOBPNODOTDRK-IBGZPJMESA-N 312.457 4.633 30 20 DJED CCC[C@H](CC(C)C)C(=O)N(c1ccc(C#N)cc1)C1CCC1 1586912429 VGJAMLWVZIRMCE-QGZVFWFLSA-N 312.457 4.906 30 20 DJED CC[C@@H](C)C[C@@H](C)Nc1c(C#N)cnc2c(Cl)cccc12 1612027499 FVQPELDEDQLVQC-VXGBXAGGSA-N 301.821 4.996 30 20 DJED COc1cc(CSc2cccc(F)c2C#N)ccc1Cl 1613821715 RNOZHSMZSGXSMF-UHFFFAOYSA-N 307.777 4.652 30 20 DJED CC(C)CC[C@@H]1CC[C@H](Nc2ccc(F)cc2OCC#N)C1 1621237700 CFWVOHGDTUZGIY-ZBFHGGJFSA-N 304.409 4.745 30 20 DJED CC(C)C1(C)CCN(c2c(Br)cccc2C#N)CC1 1642596917 VTKOLFOMOJLTJD-UHFFFAOYSA-N 321.262 4.583 30 20 DJED CCc1ccc([C@H]2CCN([C@H](C)c3ccc(C#N)cc3)C2)cc1 1643247002 SUVYRCFQEPEPLN-IERDGZPVSA-N 304.437 4.671 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1CCC[C@](C)(c2ccccc2)C1 1652475919 DBIXVQXGIQTIAO-UWJYYQICSA-N 304.437 4.673 30 20 DJED C=C(Cl)CN1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 1652890748 TWUWDFLZQCXSIE-IBGZPJMESA-N 313.828 4.547 30 20 DJED CCCc1cccc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 1657255709 OXMLGOKTBXWKNW-FGZHOGPDSA-N 318.464 4.911 30 20 DJED CC(=NNc1ccc(C(=O)O)cc1)C1(c2ccccc2)CCCC1 1776012828 PYVYOELHXIMNEB-UHFFFAOYSA-N 322.408 4.685 30 20 DJED CC[C@H](C)[C@H]1CCC(=NNc2ccc(Cl)c(C(=O)O)c2)C1 1776033907 WXYISCCXYUUKDH-QWRGUYRKSA-N 308.809 4.652 30 20 DJED C[C@@H](NCc1cc(C#N)ccc1F)c1ccc(Cl)cc1Cl 19980872 LAOSMWIIMJQHTG-SNVBAGLBSA-N 323.198 4.855 30 20 DJED Cc1ccccc1[C@H](C)CC(=O)N[C@@H](CCC#N)c1ccccc1 153734032 UBDGHJUGAWVXGX-XLIONFOSSA-N 320.436 4.650 30 20 DJED Cc1ccccc1COc1ccc([C@H](C)NCCCCC#N)cc1 178643585 ZVWGRLXPSIONSD-SFHVURJKSA-N 322.452 4.919 30 20 DJED C=CCC1(C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)CCC1 188653784 OYKVJYGAIQWVEE-MRXNPFEDSA-N 320.436 4.672 30 20 DJED CCCc1cccc(C(C)C)c1NC(=O)c1ccc(C#N)cc1 191559813 HLWUGBVLLAQUIK-UHFFFAOYSA-N 306.409 4.886 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)cc1 204520047 VAXLEWGXMBDXEN-WCIBSUBMSA-N 306.283 4.610 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc(Oc3cnccn3)cc2)s1 255133156 UOFSJDSBNBFYEJ-YVMONPNESA-N 322.389 4.535 30 20 DJED CCOc1ccccc1[C@@H](CC)Nc1ccc(Cl)c(C#N)n1 301531754 PQAKCVOMUIVQJY-CQSZACIVSA-N 315.804 4.569 30 20 DJED COc1cc(C(=O)/C=C/c2ccc(F)c(C)c2)ccc1SC 303236696 XQYPXBSPOKONJO-VMPITWQZSA-N 316.397 4.761 30 20 DJED CC[C@H](CC1CCCCC1)C(O)=Nc1nnc(C)n1C1CC1 329094002 BEECCZKJYKJVGL-CQSZACIVSA-N 304.438 4.506 30 20 DJED C=CC[C@H](C)N[C@@H](c1ccc(Br)s1)C1CC1 381722847 MDCLCLILHOKOTE-TVQRCGJNSA-N 300.265 4.516 30 20 DJED C[C@H](NCc1cccc(C#N)c1F)c1cc(Cl)ccc1Cl 426116613 DCAMOOXFCKXJQE-JTQLQIEISA-N 323.198 4.855 30 20 DJED C[C@H](NCc1ccc(C#N)cc1Cl)c1ccc(F)cc1Cl 439463661 SMMBQAGXBUFUGF-JTQLQIEISA-N 323.198 4.855 30 20 DJED Cc1ccc([C@H]2CCC[C@@H]2N(C)Cc2ccc(C#N)cc2)cc1 441352440 XSQVRXIMODTJLJ-RTWAWAEBSA-N 304.437 4.635 30 20 DJED Cc1cc2cc(Nc3ccc(C(F)(F)F)c(C#N)n3)ccc2[nH]1 443505603 AMXQCRGCTIDCJG-UHFFFAOYSA-N 316.286 4.505 30 20 DJED Cc1ccc(-c2nnc(SCc3ccc(C#N)c(C)c3)o2)cc1 447312546 MXGFJXCSICCDET-UHFFFAOYSA-N 321.405 4.517 30 20 DJED C=CCC(CC=C)C(=O)N[C@H](C)c1ccc(SCC)cc1 467339255 SBJUOELQLHTOOD-CQSZACIVSA-N 303.471 4.744 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)c1ccc2ncsc2c1 470645083 BJEOLYXGCSUDKT-UHFFFAOYSA-N 322.433 4.515 30 20 DJED C=CCCC1(C(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 476536983 CHYFQUFHLVBUHW-GOSISDBHSA-N 313.416 4.624 30 20 DJED C=CCC(CC=C)C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 485517100 GVZHVDQOLLJKLU-HBMCJLEFSA-N 323.480 4.940 30 20 DJED C=CC[C@@H](C(=O)Nc1cccc(Cl)c1F)c1ccccc1 487582855 JUIGAMPDNJVYMN-CYBMUJFWSA-N 303.764 4.778 30 20 DJED CC(C)[C@H](C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 498111554 KDHWGYCHOMABPR-AWEZNQCLSA-N 308.381 4.581 30 20 DJED CCN(Cc1cc(C#N)cs1)[C@@H](C)c1cc2ccccc2o1 511896426 OIKRIDDUGDSVSH-ZDUSSCGKSA-N 310.422 4.949 30 20 DJED Clc1cccc(C#CCN2CCC[C@H]2c2cccs2)c1 533443800 KTJKCWFTZJEACK-INIZCTEOSA-N 301.842 4.590 30 20 DJED CCC(CC)[C@@H](C)C(=O)Nc1ccccc1SC[C@H](C)C#N 535616589 MAQVUSRMVBEOFH-ZIAGYGMSSA-N 318.486 4.949 30 20 DJED C=CCC[C@H](Nc1cccc(OCc2cscn2)c1)C1CC1 537527873 HZDGREPISQVAAF-SFHVURJKSA-N 314.454 4.879 30 20 DJED N#Cc1ccccc1Sc1ccc(-c2nc(C3CC3)no2)cc1 545612608 DUZDJKCNAXOJNQ-UHFFFAOYSA-N 319.389 4.637 30 20 DJED C[C@@H](NCc1cccc(C#N)c1F)c1ccc(F)c2ccccc12 556179670 VSCNPZJFSZQEHH-CYBMUJFWSA-N 322.358 4.840 30 20 DJED Cc1ccc(C#N)c(Nc2ccc(Oc3cccnc3)c(C)c2)n1 563710591 QLEYOSGNOQDYBL-UHFFFAOYSA-N 316.364 4.501 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCc1ccc(Cl)cn1 567899291 WXEMZGCVYBOIPG-LBPRGKRZSA-N 317.845 4.741 30 20 DJED C[C@H](c1cccc(Br)c1)N1CCC(CCC#N)CC1 571519097 IRSCXPLYMMKMOA-CYBMUJFWSA-N 321.262 4.526 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)N1CCC(CCC#N)CC1 574760512 QUNVRICZHFXGSG-SFHVURJKSA-N 304.478 4.525 30 20 DJED C=C(C)CN(CC)C(=O)Nc1cccc(Oc2ccccc2)c1 591502667 HNUAMYAMZVEXSW-UHFFFAOYSA-N 310.397 4.909 30 20 DJED C=CCC[C@@H](NC(=O)N1CCC(F)(F)C[C@@H]1C)c1ccccc1 623785787 KCNKDYDUVCQGNE-GOEBONIOSA-N 322.399 4.523 30 20 DJED C=CCSc1ccccc1C(=O)N[C@H](C)c1ccsc1 669862352 GXXVRNLFPWIBTI-GFCCVEGCSA-N 303.452 4.517 30 20 DJED C=CCCC(=O)OCc1cc2ccc(SC)cc2nc1Cl 726650277 CZHRBXPGWKHLTA-UHFFFAOYSA-N 321.829 4.620 30 20 DJED CSCCc1ccc(N=Cc2cc3ccccc3nc2O)cc1 727653389 MWPQXWVUBZLXNY-UHFFFAOYSA-N 322.433 4.597 30 20 DJED CC(C)c1ccc(C(=O)/C=C/c2cccc(OCC#N)c2)cc1 730151441 KMCKTXZLWGUITB-IZZDOVSWSA-N 305.377 4.608 30 20 DJED Cc1ccc(/C=C\C(=O)c2cccc(OC(F)F)c2)cc1F 731490092 QHUVANPKYDHAKT-FPLPWBNLSA-N 306.283 4.632 30 20 DJED C=CCN(CC1CCCCC1)C(=S)Nc1ccccc1F 732625733 SGBMJVCIRALKEM-UHFFFAOYSA-N 306.450 4.591 30 20 DJED CCCCCCCC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 732969991 AYEYSWVWYRYRIO-KRWDZBQOSA-N 309.400 4.989 30 20 DJED O=C(/C=C\c1cnc2ccc(Cl)cn12)c1cc2ccccc2o1 737443802 MLSFAUVCJOZIGZ-SREVYHEPSA-N 322.751 4.630 30 20 DJED CCCCCCCCCN(C)C(=O)c1ccccc1C(C)=O 746151968 NABFPVKLZBKIHC-UHFFFAOYSA-N 303.446 4.712 30 20 DJED C[C@@H](OC(=O)CCc1cc(Cl)cs1)c1ccc(C#N)cc1 748679783 LFJMBBIUYCNDEG-LLVKDONJSA-N 319.813 4.510 30 20 DJED COCc1cccc(/C=C/C(=O)c2ccc3cc(O)ccc3c2)c1 748999920 BYVKZGUYUJMJOR-BJMVGYQFSA-N 318.372 4.588 30 20 DJED CC(C)(C)Sc1ccc(NC(=O)c2ccc(C#N)s2)cc1 749367615 APRAHTZVMTUCSO-UHFFFAOYSA-N 316.451 4.763 30 20 DJED Cc1cccc2nc([C@@H](C#N)C(=O)C[C@H]3CCCCC3(C)C)[nH]c12 752504058 DZXGBQJQPGVYNL-CABCVRRESA-N 323.440 4.654 30 20 DJED Cc1cc(C)cc(NN=Cc2sccc2Br)c1 764895219 AXJPJKFJDUMNLF-UHFFFAOYSA-N 309.232 4.573 30 20 DJED C#CCCCCN[C@H](C)c1sc(-c2ccccc2F)nc1C 773040692 LSGBKKRHDRDEQS-CYBMUJFWSA-N 316.445 4.712 30 20 DJED CC[C@@H](NCc1cccc(OC(C)C)c1)c1ccc(C#N)cc1 774130960 NEEGMOZXCSVNSA-HXUWFJFHSA-N 308.425 4.586 30 20 DJED O=C(/C=C\c1cc2cc(F)ccc2o1)c1ccnc(Cl)c1 782195289 VLFATCPMSUICPH-IHWYPQMZSA-N 301.704 4.516 30 20 DJED FC(F)(F)[C@@H]1CCCC(=NNc2nccc3sccc23)C1 783514094 LCJNIXJBMCMXQI-SECBINFHSA-N 313.348 4.817 30 20 DJED Cc1ccc(C(=O)/C=C\c2cnc(-c3ccco3)s2)s1 789129506 GBLJSVIUTKZMEC-WAYWQWQTSA-N 301.392 4.669 30 20 DJED C#CCN(Cc1ccccc1)C(=O)Nc1cccc2ccccc12 796659309 QNSREPQUZWHUIJ-UHFFFAOYSA-N 314.388 4.507 30 20 DJED CCCCCCCCCCCC(=O)N1CCC2(CCO2)CC1 800652191 COLMKVHTPCRQDR-UHFFFAOYSA-N 309.494 4.689 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N1CCC2(CCO2)CC1 800654519 WUGBQYDRUUOSDY-KRWDZBQOSA-N 309.494 4.545 30 20 DJED N#CC[C@@H](CC(=O)OCc1ccc2occc2c1)c1ccccc1 802852950 MGXIJXHBDVIMNG-KRWDZBQOSA-N 319.360 4.564 30 20 DJED Cc1c(C(=O)/C=C/c2cccc(F)c2C#N)oc2ccccc12 811686984 AVOHBHBYPCEDPM-MDZDMXLPSA-N 305.308 4.648 30 20 DJED O=C(/C=C\c1ccc(-n2cccn2)cc1)c1cc2ccccc2o1 844152866 RFGODQFNXGKDHF-FLIBITNWSA-N 314.344 4.515 30 20 DJED CCCOc1ccc(N=Cc2c(O)cccc2OC)cc1Cl 917558040 ZTLZYNRNQFJUOV-UHFFFAOYSA-N 319.788 4.594 30 20 DJED Oc1ccccc1C=Nc1cccc(COC2CCCCC2)c1 921138625 VZEMJGWSTLHBGA-UHFFFAOYSA-N 309.409 4.992 30 20 DJED COc1ccccc1-c1ccc(/C=C/c2cc(C#N)ccn2)cc1 1117390778 AHFXSWLMHQPXIR-DHZHZOJOSA-N 312.372 4.799 30 20 DJED Cc1ccc(C#N)c(N(C)Cc2ccccc2-c2ccccc2)n1 1162355888 KXCDLTOJLUNMML-UHFFFAOYSA-N 313.404 4.565 30 20 DJED C[C@H]1CC(C)(C)c2cccc(NC(=O)NCC(C)(C)CC#N)c21 1220126392 QAYQIGFMOHKACW-ZDUSSCGKSA-N 313.445 4.533 30 20 DJED CC(C)c1cnc(S[C@@H](C#N)Cc2ccccc2)n1C1CC1 1307305821 PEFPTOILOLMGIM-MRXNPFEDSA-N 311.454 4.568 30 20 DJED CCOc1ccc(C#N)cc1N[C@@H](CC)Cc1ccc(C)cc1 1308677342 OMVSHDFRMXESBC-SFHVURJKSA-N 308.425 4.699 30 20 DJED CCC1(CC)CN(Cc2cc(C#N)ccc2OC)c2ccccc21 1473297206 XHRAPUGQOKRZPA-UHFFFAOYSA-N 320.436 4.645 30 20 DJED C[C@H]1C[C@@H](CCNC(=O)CC2(C#N)CCCCC2)CC(C)(C)C1 1519983278 COHCGJGLKBUHHB-DLBZAZTESA-N 318.505 4.819 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)CC(C)(C)C1CCCCC1 1529669305 VYCZIBPODAQHQH-UHFFFAOYSA-N 306.494 4.914 30 20 DJED C[C@H]1C[C@@H](CC(=O)OCc2ccc(CC#N)cc2)CC(C)(C)C1 1536935355 OCZHVVLJJRLIMK-YJBOKZPZSA-N 313.441 4.648 30 20 DJED CC(C)[C@@H](CC(=O)O[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 1539791767 RXPIZLBHCAEAPZ-OXJNMPFZSA-N 321.420 4.992 30 20 DJED CCCCc1ccc(CC(=O)O[C@@H](C)c2cccc(C#N)c2)cc1 1544187775 QZKVRDNRDKWWRZ-INIZCTEOSA-N 321.420 4.748 30 20 DJED Cc1cc(NC2CCC(c3ccc(F)cc3)CC2)ncc1C#N 1651731867 RYONNNHABJFSEF-UHFFFAOYSA-N 309.388 4.539 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC[C@@H]1CCC(C)C 1675079532 BIHCBSVINUSBOL-IAGOWNOFSA-N 313.445 4.593 30 20 DJED CC[C@@H](C)c1ccc(C(=O)/C=C\c2ccc(CC(=O)O)cc2)cc1 1776697873 ULGRCPRGSVAWCI-JEMSNHSXSA-N 322.404 4.723 30 20 DJED N#CCOc1cccc(NCc2ccc(Cl)c(Cl)c2)c1 37069481 DJJLAOYDWCYLPT-UHFFFAOYSA-N 307.180 4.508 30 20 DJED C[C@H](c1cccc(Cl)c1)N(C)Cc1cc(C#N)ccc1F 58000617 CVJCDNIMTOQJNJ-GFCCVEGCSA-N 302.780 4.544 30 20 DJED CCCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 58989277 XZYUZZMUERZEQR-MRXNPFEDSA-N 312.800 4.734 30 20 DJED C=CCCC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 60364778 VQGNLVGGTYMYLL-UHFFFAOYSA-N 308.406 4.868 30 20 DJED C=CCCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 102240531 OUBGNGJODDVTKP-UHFFFAOYSA-N 306.365 4.564 30 20 DJED C[C@H](C#N)Oc1ccc(CNc2cccc(C(F)F)c2)cc1 128514177 FZQZYHPXCHWHTO-GFCCVEGCSA-N 302.324 4.527 30 20 DJED N#Cc1ccccc1OCc1ccc(Br)cc1Cl 133681196 BWTBMOXYQUBAKM-UHFFFAOYSA-N 322.589 4.553 30 20 DJED CSc1ccccc1NCc1cccc(OCCCC#N)c1 157823272 AXXJEBGEEOQVOA-UHFFFAOYSA-N 312.438 4.703 30 20 DJED C[C@H](Nc1cccc(OCCCC#N)c1)c1ccc(Cl)nc1 179822479 HGBZPTARPMKCPN-ZDUSSCGKSA-N 315.804 4.591 30 20 DJED CCSc1cccc(CN[C@@H](CCC#N)c2ccccc2)c1 185604364 DSWGOBHFPWYNAB-IBGZPJMESA-N 310.466 4.933 30 20 DJED Cc1ccccc1C(=O)/C=C\c1ccc(Br)cc1 205296150 YYMAHTHFZRDLSX-FLIBITNWSA-N 301.183 4.654 30 20 DJED O=C(/C=C\c1ccsc1)c1ccc(Br)cc1F 255114744 KZNIGCXEUMULRE-RJRFIUFISA-N 311.175 4.546 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1(C)CCCC1 264520211 CGYBKJLDLVPOMC-ZDUSSCGKSA-N 317.458 4.535 30 20 DJED CC[C@@H](C)Oc1cccc(NC2CC(C#N)(c3ccccc3)C2)c1 325685729 IIVZFSVMNCRZLX-YLZJTPGZSA-N 320.436 4.900 30 20 DJED C=CC[C@H](C)N[C@@H]1CCSc2ccc(Br)cc21 358036242 KZHQZSJEDRHUAW-GXFFZTMASA-N 312.276 4.540 30 20 DJED C=CCOc1ccc(CN[C@@H](C)c2ccc(SC)cc2)cc1 378887499 JCZFCPIEFRRRPU-HNNXBMFYSA-N 313.466 4.824 30 20 DJED C#CCCCN[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 388842542 DNDCFLOLUNSOMU-SNVBAGLBSA-N 323.280 4.788 30 20 DJED C=CCC1(C(=O)N(C)c2ccc(-c3nccs3)cc2)CCC1 415834721 OERHNQNWZRUYOH-UHFFFAOYSA-N 312.438 4.519 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(F)c(Cl)c1 433241979 FOPCRURLOSLEOA-GFCCVEGCSA-N 302.780 4.544 30 20 DJED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cc2cc(Cl)ccc2o1 436308933 RDVDYCPOUHVQAP-VBHSOAQHSA-N 319.832 4.718 30 20 DJED N#Cc1c(Cl)cccc1N[C@@H]1CCO[C@H](c2ccccc2)C1 450447484 VZMZGEOGQCTLQN-KDOFPFPSSA-N 312.800 4.544 30 20 DJED C=CCCCC(=O)N(CC)C(c1ccccc1)c1ccccc1 481184219 UJRJJMSPJFQUNI-UHFFFAOYSA-N 307.437 4.981 30 20 DJED C[C@H](N[C@@H]1CC[C@H](c2ccccc2F)C1)c1ccc(C#N)cc1 481720802 UMPGVQPUOHIRER-JCGIZDLHSA-N 308.400 4.684 30 20 DJED Cc1ccc([C@@H](C)N[C@@H]2CCCCc3cc(C#N)ccc32)cc1 481919116 ICNSMAOHXHGVAI-IIBYNOLFSA-N 304.437 4.985 30 20 DJED C=C[C@@H]1CCCCN1C(=O)c1sc2ccc(F)cc2c1C 488880024 LETRIJKELJSVNL-CYBMUJFWSA-N 303.402 4.530 30 20 DJED CC(C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCCC2 497814242 WVRLHQJMDFHOAQ-LBPRGKRZSA-N 304.459 4.509 30 20 DJED C=CCOc1cccc(CN[C@H](c2ccc(C)cc2)C2CC2)c1 517540722 JAUQXQSRLGIXGF-OAQYLSRUSA-N 307.437 4.801 30 20 DJED CCN(C(=O)CC1CCC(C)CC1)[C@H](C)c1ccc(C#N)cc1 524538161 OXIYSGUMYUDUNV-AQFXKWCLSA-N 312.457 4.684 30 20 DJED C[C@H](NCc1ccccc1C(F)(F)F)c1ccc(C#N)c(F)c1 538509802 SWBZNYHGJFXOLQ-NSHDSACASA-N 322.305 4.567 30 20 DJED C=CCC[C@H](NC1CCN(C2CCCCC2)CC1)c1ccco1 552250810 BOSZOJVVRFUBPW-IBGZPJMESA-N 316.489 4.674 30 20 DJED N#CCCCCCC(=O)N(CCc1ccccc1)c1ccccc1 588899542 QTLCNFLQLRQNBV-UHFFFAOYSA-N 320.436 4.736 30 20 DJED Cc1ncccc1CSc1ccc(C#N)c(C(F)(F)F)c1 589255745 FVDBUXOFOMHZDV-UHFFFAOYSA-N 308.328 4.573 30 20 DJED CCOc1ccc(CN[C@@H](CCC#N)c2ccccc2)c(C)c1 594949383 CWTYAQUAVJLZRT-FQEVSTJZSA-N 308.425 4.528 30 20 DJED N#CC[C@@H]1CCCN(c2ncc(-c3ccc(Cl)cc3)s2)C1 596325178 HRSJFZXGRUIWDE-LBPRGKRZSA-N 317.845 4.594 30 20 DJED CC(C)Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1 603819896 XOMNWBHEORYQSX-UHFFFAOYSA-N 324.449 4.559 30 20 DJED CC[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1F 619746633 DPVKJVHUNWWVGA-KRWDZBQOSA-N 320.770 4.731 30 20 DJED O=C(/C=C/c1cc2ccccc2o1)c1c(Cl)nc2ccccn12 737446012 LEYFERRAOYADJZ-CMDGGOBGSA-N 322.751 4.630 30 20 DJED CSc1ccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2C)cc1 739425144 NCWJZWOIZVDJSB-UXBLZVDNSA-N 313.378 4.521 30 20 DJED CCCCCCOc1cccc(C=NOCc2cccnc2)c1 746585774 KXOJALJJJIABGB-UHFFFAOYSA-N 312.413 4.591 30 20 DJED CC[C@H](C)Oc1cc(/C=C/C(=O)c2ccsc2)ccc1OC 749452665 MWKJLTAECCUKGK-IYNGYCSASA-N 316.422 4.830 30 20 DJED O=C1/C(=C\c2cc3ccccc3o2)CSc2c(F)cccc21 750907575 WYJTWTOAXRLMJC-XFXZXTDPSA-N 310.349 4.944 30 20 DJED CCCCCCCCCNC(=O)c1occc1Br 751325433 XOPDUOOWBCXOJC-UHFFFAOYSA-N 316.239 4.523 30 20 DJED C#CCCc1noc(-c2cc(-c3ccccc3)ccc2Cl)n1 762017585 HXWVOAXHPFTDAF-UHFFFAOYSA-N 308.768 4.623 30 20 DJED CCn1nc(/C=C\C(=O)c2ccc(SC)cc2)c2ccccc21 769742933 RAFUZNJFIGMJGH-SEYXRHQNSA-N 322.433 4.674 30 20 DJED Cc1ccoc1C(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 769784540 YRCQHTJEQFBZCD-SOFGYWHQSA-N 323.304 4.652 30 20 DJED Cc1cc(/C=C\C(=O)c2cscn2)ccc1Oc1cccnc1 776193174 WUPZJYDTMMXOKZ-XQRVVYSFSA-N 322.389 4.535 30 20 DJED C#CCCCCCC(=O)N1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 779957687 DTOQSTSXTKCCRU-GHTZIAJQSA-N 311.469 4.878 30 20 DJED CC(=C/c1cccc([N+](=O)[O-])c1)/C=C/C(=O)c1ccc(C)s1 787170110 SJIICHVRZXNLJJ-FDAFXCBZSA-N 313.378 4.807 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2coc3ccccc23)c(Cl)c1 788360926 PNWGUSWMRCUXQR-VURMDHGXSA-N 307.736 4.854 30 20 DJED C=C(C)C(C)(C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 819944550 AURUUKITRMWNKC-OAHLLOKOSA-N 324.449 4.897 30 20 DJED CCOc1ccccc1C=NOCc1ccccc1C(F)(F)F 836297110 XLTOQRWQXYMJQX-UHFFFAOYSA-N 323.314 4.655 30 20 DJED Cc1nc2cc(NCc3ccc(Cl)cc3C#N)ccc2s1 864022045 DZLCTWJASJZEES-UHFFFAOYSA-N 313.813 4.742 30 20 DJED CCCCCCCNCc1ccc(-c2ccccc2C(=O)O)o1 902061691 UJGJSCPXDNVMGV-UHFFFAOYSA-N 315.413 4.705 30 20 DJED COc1cc(/C=C\C(=O)c2cc(C)ccc2C)cc(Cl)c1O 916155901 LIRKRDCQNBFFSX-SREVYHEPSA-N 316.784 4.567 30 20 DJED COc1cccc(O)c1C=Nc1cc(Cl)ccc1SC 920755973 VPRDUBFUDGTUTM-UHFFFAOYSA-N 307.802 4.527 30 20 DJED C[C@@H](C#N)CNCc1ccc(-c2cc(Cl)ccc2Cl)o1 1116570295 RPAMUPYCVHKFOJ-JTQLQIEISA-N 309.196 4.503 30 20 DJED CCC[C@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)C)C2 1129398867 WFKWUUFLXBJLDC-QWHCGFSZSA-N 318.486 4.755 30 20 DJED CC[C@@H](Cc1ccc(Cl)cc1)Nc1ncc(C#N)cc1Cl 1162483211 WARYGCPOYDWHNZ-AWEZNQCLSA-N 320.223 4.693 30 20 DJED Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ccc(F)c(C#N)c2)o1 1167516654 HJMANEVNFVCUCO-UGSOOPFHSA-N 312.388 4.572 30 20 DJED Cc1cc(N(C)[C@@H](C)c2ccc(Cl)c(Cl)c2)ncc1C#N 1185082008 YRPOARTZBDZRTP-NSHDSACASA-N 320.223 4.766 30 20 DJED Cc1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)c2ccccc12 1266016681 UTXXUJGQOYWOLF-HNNXBMFYSA-N 315.372 4.938 30 20 DJED C=CCn1cnnc1SCc1c(C)cc(C(C)(C)C)cc1C 1317734744 LNTQOWPIQNVTIB-UHFFFAOYSA-N 315.486 4.671 30 20 DJED CSc1ccccc1[C@@H](C)N[C@H]1CCc2cc(C#N)ccc21 1344579365 ISJLXVZIENFQTR-ACJLOTCBSA-N 308.450 4.618 30 20 DJED Cc1nsc(N[C@@H]2C[C@H](C)C[C@@H](c3ccccc3)C2)c1C#N 1472804705 JUXDPQTWMOFBRU-DAXOMENPSA-N 311.454 4.708 30 20 DJED CCCOc1ccc(Nc2nc(Cl)c(C#N)s2)cc1C 1472845140 MDWDHEGGDDCDDU-UHFFFAOYSA-N 307.806 4.509 30 20 DJED C[C@H](C(=O)Nc1cc2ccccc2cc1C#N)c1ccsc1 1528322560 ODHPQAAXKNKYAR-LBPRGKRZSA-N 306.390 4.515 30 20 DJED CCc1c(C)sc(NC(=O)[C@H]2CCCC[C@H]2CC)c1C#N 1529661921 LKHAIDHLACLCFK-OCCSQVGLSA-N 304.459 4.646 30 20 DJED Cc1cc(CN[C@@H]2CCCc3ccc(Cl)cc32)ccc1C#N 1621024490 ZIAUAFQPUAOXKH-LJQANCHMSA-N 310.828 4.687 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)CCCC1CCCC1 1633924352 ZCJACJPLKOYDLH-UHFFFAOYSA-N 313.445 4.679 30 20 DJED Cc1cc(OCc2cc(-c3ccccc3Cl)on2)ccc1C#N 1641098554 LJFXFSFZRZDAFX-UHFFFAOYSA-N 324.767 4.754 30 20 DJED CC1(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CCC1 1644803937 BUTFDYWIRSPLJR-UHFFFAOYSA-N 322.427 4.890 30 20 DJED Cc1cc(CN[C@H]2CCCC[C@@H]2Cc2ccccc2)ccc1C#N 1657088442 VTYKKNFGOUTUPT-IRLDBZIGSA-N 318.464 4.758 30 20 DJED COc1ccc(C#N)cc1N[C@H]1CC=C(c2ccc(F)cc2)CC1 1657717486 RKGSYQJDYMTVLJ-SFHVURJKSA-N 322.383 4.754 30 20 DJED Cc1cccc(C2=CCN(Cc3ccc(C#N)cc3F)CC2)c1C 1665881291 UIQOMLNKGLYVRF-UHFFFAOYSA-N 320.411 4.604 30 20 DJED CCSc1cccc(NC(=O)Nc2cc(C)cc(C#N)c2)c1 1672775060 DEMQMVTZBUUVGO-UHFFFAOYSA-N 311.410 4.623 30 20 DJED N#Cc1ccc(CN2CCC[C@@H]2c2nc3ccccc3s2)cc1 15452128 ZMBBRUZBCZAXRZ-QGZVFWFLSA-N 319.433 4.505 30 20 DJED CCOc1cc(/C=C/C(=O)c2cccs2)ccc1OC(F)F 57437750 FLSFLHWMFSPOKV-FNORWQNLSA-N 324.348 4.644 30 20 DJED CC(C)Oc1cccc(CN(Cc2ccc(C#N)cc2)C(C)C)c1 63750668 RPDKSAJCKVNECD-UHFFFAOYSA-N 322.452 4.756 30 20 DJED C[C@H](SCCOc1ccc(C#N)cc1)c1ccc(F)cc1 71856321 KZAYXTMJARYJTQ-ZDUSSCGKSA-N 301.386 4.571 30 20 DJED CC(C)OCc1cccc(NCc2ccc(O[C@@H](C)C#N)cc2)c1 114764993 KYIPEOUDYBFBOY-INIZCTEOSA-N 324.424 4.515 30 20 DJED C=C(Br)CN[C@H](C)c1ccc(Cl)c(Cl)c1 168217164 XRHSLUFHKHVJIS-MRVPVSSYSA-N 309.034 4.553 30 20 DJED C=C(C)[C@H](NCc1cccc(COC)c1)c1ccc(F)c(F)c1 187374290 JVFDJRKIYRABON-IBGZPJMESA-N 317.379 4.518 30 20 DJED C=CCCSc1nnc(-c2ccoc2C)n1-c1ccccc1 303895037 ZXOVGQPCXGRFJQ-UHFFFAOYSA-N 311.410 4.504 30 20 DJED O=C(/C=C/c1ccc(OCC(F)F)cc1)c1ccc(F)c(F)c1 303898615 LBUIUQBIKDRQGQ-FPYGCLRLSA-N 324.273 4.505 30 20 DJED CC(C)(C)[C@H]1CCC[C@@H](Nc2cccc(OCC#N)c2)CC1 315884611 LJLGKRUBACAWQN-JKSUJKDBSA-N 300.446 4.996 30 20 DJED C[C@H](Nc1cccc(F)c1C#N)c1ccc(OC(F)(F)F)cc1 319538529 LXWOBHQEZGYKGN-JTQLQIEISA-N 324.277 4.769 30 20 DJED N#CCCCOc1cccc(NCc2ccc3occc3c2)c1 352832660 XDXPNPMQAGACMD-UHFFFAOYSA-N 306.365 4.727 30 20 DJED N#Cc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccccc2)cc1 409695820 KGAMQELYSXPMQF-LJQANCHMSA-N 319.408 4.707 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cccc(Cl)c1Cl 436287993 UMIZABMYCQILSN-OZVIIMIRSA-N 314.256 4.625 30 20 DJED C[C@H](c1ccc(F)cc1)N(C)Cc1ccc(C#N)cc1Cl 439437213 YZEMLKZULZPWRM-GFCCVEGCSA-N 302.780 4.544 30 20 DJED CC(C)[C@H](C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 443833144 XBIZPBFCQFJDTG-KRWDZBQOSA-N 312.800 4.590 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)C1=CC[C@H](C)CC1 455508839 CXLASEYYELUTRT-UONOGXRCSA-N 314.454 4.623 30 20 DJED C=CCCCCCN(C)C(=O)c1cc(Oc2ccccc2)ccn1 465142337 XTUHXRNMQQCIBR-UHFFFAOYSA-N 324.424 4.692 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1cccc(-c2csc(C)n2)c1 467857697 ATKPSAYSRPNXMW-KRWDZBQOSA-N 300.427 4.659 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@H]2CC[C@H](c3cccc(F)c3)C2)c1 480786569 PHRSUHZIUOKYHL-LPHOPBHVSA-N 322.383 4.648 30 20 DJED CC(C)(C#N)c1ccccc1CN(Cc1cccs1)C1CC1 487395616 QFSPXQQQOFFTGR-UHFFFAOYSA-N 310.466 4.714 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H]1CC1(C)C 489092255 QPCFYGCMAWYPNG-MRXNPFEDSA-N 300.446 4.801 30 20 DJED CC(C)(CCC#N)CNCC1(c2cccc(F)c2F)CCCC1 494836423 JEFUKQYERIBUSB-UHFFFAOYSA-N 320.427 4.696 30 20 DJED CCc1cc(C#N)c(NC(=O)C[C@H](CC)c2ccccc2)s1 504311245 IBXYMVJOLVQFBO-ZDUSSCGKSA-N 312.438 4.705 30 20 DJED CC(C)CCN(CCC#N)C(=O)CCc1ccc2ccccc2c1 505197246 OATRUCLASUDEDR-UHFFFAOYSA-N 322.452 4.561 30 20 DJED C[C@H](SCCOc1ccc(C#N)cc1)c1ccccc1F 507813138 IMTDIHZQWCTMBV-ZDUSSCGKSA-N 301.386 4.571 30 20 DJED C=CCCO[C@H](C)c1nc([C@H](c2cccc(C)c2)C(C)C)no1 514830471 IMMYYDNTSPOCFY-WBVHZDCISA-N 314.429 4.820 30 20 DJED Cc1ccnc(N[C@@H](Cc2ccccc2)c2cccs2)c1C#N 544068854 BMBLDWIAMPXHOK-KRWDZBQOSA-N 319.433 4.719 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc(C)c2c1CCCN2)c1ccccc1 552541959 QWUZOOAPHGGMMQ-QGZVFWFLSA-N 320.436 4.652 30 20 DJED N#C[C@H]1CC[C@@H](Nc2cccc(COc3ccc(F)cc3)c2)C1 576074398 FHUNOQZFAZOOKP-KBXCAEBGSA-N 310.372 4.509 30 20 DJED Cc1cc(C)cc(N(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 579729040 QKWBFKZIORYXMU-UHFFFAOYSA-N 321.424 4.773 30 20 DJED C=CCCC(=O)Nc1nc(C)c(Cc2ccccc2Cl)s1 588030863 ZOCRLHKAPOMJBR-UHFFFAOYSA-N 320.845 4.600 30 20 DJED N#CCCCCCC(=O)N1Cc2ccccc2-c2ccccc2C1 588155948 DSORSBBELUXITH-UHFFFAOYSA-N 318.420 4.670 30 20 DJED Cc1ccccc1C1(N[C@H]2CCCc3cc(C#N)ccc32)CC1 592391899 SURUKPONCGBQLZ-FQEVSTJZSA-N 302.421 4.523 30 20 DJED C[C@@H](c1noc([C@H](C)Cc2ccc(C#N)cc2)n1)c1cccs1 594528329 AGRMYBUEARQAGR-CHWSQXEVSA-N 323.421 4.501 30 20 DJED CC[C@H](C)CCNC(=O)Nc1ccccc1S[C@H](C)CC#N 596732745 NQFDXFXADYEACO-UONOGXRCSA-N 319.474 4.639 30 20 DJED C=C(C)CN(CC)C(=O)N[C@@H](c1ccc(CC)cc1)C(C)C 611736246 NDERDRKTTDWSNT-GOSISDBHSA-N 302.462 4.554 30 20 DJED CSc1ccc([C@H](C)NCc2ccc(C#N)c(Cl)c2)cc1 619754514 BUVPCZGSOVOSIT-LBPRGKRZSA-N 316.857 4.784 30 20 DJED C=CCN(Cc1cccs1)C(=O)N[C@H](C)CCCC(C)C 643218291 MWDDHZDWSNOAQO-OAHLLOKOSA-N 308.491 4.661 30 20 DJED Cc1cc(Cl)ccc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 675907060 LOVMYYFPMYZYDD-INIZCTEOSA-N 320.779 4.687 30 20 DJED O=C1/C(=C/C2=Cc3ccccc3OC2)CCCc2ccccc21 726739591 FDEJJRYJCORQEV-QGOAFFKASA-N 302.373 4.608 30 20 DJED Cc1cc(/C=C\C(=O)c2ccccc2OC(F)F)ccc1F 729148597 CUAMNWQZMUEAMR-CLFYSBASSA-N 306.283 4.632 30 20 DJED O=C(/C=C\c1ccc(-c2ccccc2)o1)c1csc(C(=O)O)c1 730149592 XXXRLMBILSGDFL-VURMDHGXSA-N 324.357 4.602 30 20 DJED CC(C)c1ccc([C@H](C)NN=Cc2cccc(F)c2F)cc1 730728019 GEYUIOWANZFIQD-ZDUSSCGKSA-N 302.368 4.773 30 20 DJED C#CCCOc1ccc(CN[C@@H](c2ccccc2C)C(C)C)cc1 733326728 WGTCJVSWRGFQJM-JOCHJYFZSA-N 321.464 4.884 30 20 DJED O=C1/C(=C/c2ccccc2F)CCOc2c(Cl)cccc21 733748840 KRQFQPDMCAQORA-ZRDIBKRKSA-N 302.732 4.528 30 20 DJED CCCCCCCCC(=O)N[C@@H](C)c1nc2ccccc2n1C 736217868 CSZPULYPZZFTMH-HNNXBMFYSA-N 315.461 4.501 30 20 DJED CCC(=NNc1ccc(Cl)cc1Cl)C1CCOCC1 745194112 QIURGUAMCFATJX-UHFFFAOYSA-N 301.217 4.598 30 20 DJED C#CC[C@@H](NCc1ccc(Cl)c(Cl)c1)c1ccccc1 756997568 XSOZUPVDAQDPSV-QGZVFWFLSA-N 304.220 4.848 30 20 DJED C#CC[C@H](NC(=O)Nc1cccc(C)c1Cl)c1ccccc1 757894671 JZBSDQIHDFYXCA-HNNXBMFYSA-N 312.800 4.535 30 20 DJED Cc1cc(/C=C\C(=O)c2ccc(OC(C)C)cc2)cnc1Cl 760265574 WIPHYXMZQSNOFP-WTKPLQERSA-N 315.800 4.727 30 20 DJED N#Cc1cccc(C(=O)/C=C\c2csc(Cl)c2Cl)c1 761478120 PVYGSXZIHZPCJQ-PLNGDYQASA-N 308.189 4.823 30 20 DJED N#Cc1ccc(SCc2nc(Cl)ccc2Cl)c(F)c1 762479040 JFSDOKKVTKYXLD-UHFFFAOYSA-N 313.184 4.691 30 20 DJED C=CC[C@H](N[C@H]1CCCc2c(C)ccc(C)c21)c1ccncc1 769970088 RQMNKIUWBIOMIY-PMACEKPBSA-N 306.453 4.983 30 20 DJED C=C(C)[C@@H](NCc1ccc(OC)c(C)c1)c1ccc(F)c(F)c1 775319805 ZXLFPGUVYKBZFD-LJQANCHMSA-N 317.379 4.689 30 20 DJED O=C(/C=C\c1scnc1C1CC1)c1ccccc1OC(F)F 782305583 KBGZISVNKBJADB-FPLPWBNLSA-N 321.348 4.518 30 20 DJED COc1ccc(Cl)cc1C(=O)/C=C/c1scnc1C1CC1 782323993 VMYWBSUYKKUHOU-FNORWQNLSA-N 319.813 4.579 30 20 DJED FC(F)(F)[C@@H]1CCCC(=NNc2nc3ccccc3s2)C1 783512046 ZYFFVUMARFYXDD-SECBINFHSA-N 313.348 4.817 30 20 DJED Cc1ccnc(NN=C[C@@H](C)c2ccc(C(F)(F)F)cc2)c1 789023336 LLFLNIUZXGOYJJ-GFCCVEGCSA-N 307.319 4.610 30 20 DJED N#Cc1ccc(CNc2ccc(OC3CCCC3)cc2)cc1F 790522138 VZHCLAOBJQESOI-UHFFFAOYSA-N 310.372 4.631 30 20 DJED COCc1ccc(N[C@@H]2CCCCc3cc(C#N)ccc32)cc1 795818314 XMZRIEHCWJPEQC-HXUWFJFHSA-N 306.409 4.584 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)c(Cl)c1 797126144 BMUKNWNNHDYXAB-QPJJXVBHSA-N 308.711 4.523 30 20 DJED O=C(/C=C\c1cscc1C(F)(F)F)c1ccc(Cl)nc1 811693981 REHZIOBDYWFYOY-IWQZZHSRSA-N 317.719 4.711 30 20 DJED N#CCCCC(=O)Oc1ccccc1-c1nc2ccccc2s1 812831264 QFYCUFQCWAYNGQ-UHFFFAOYSA-N 322.389 4.563 30 20 DJED C=CCC(C)(C)C(=O)Nc1cccc(Nc2nc(C)cs2)c1 814354352 JDCVAUBEAKKLRJ-UHFFFAOYSA-N 315.442 4.736 30 20 DJED C/C(=C/c1ccc(C)cc1)C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842942260 XBFLOYFYPWAKFU-RCBBPTIPSA-N 322.433 4.609 30 20 DJED Cc1cccnc1[C@@H]1CCCC(=NNc2ccc(Cl)cn2)C1 853437462 OPBWYLGZYQAZPW-CYBMUJFWSA-N 314.820 4.564 30 20 DJED C=CCC(CC=C)C(=O)Nc1n[nH]c(C2CC2)c1-c1ccccc1 871144181 JUJXACCYPCKVDP-UHFFFAOYSA-N 321.424 4.661 30 20 DJED C=C1CCC(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)CC1 892522642 IYVYAWPHAWGXQH-INIZCTEOSA-N 322.433 4.733 30 20 DJED C[C@H](C(=O)N(O)Cc1cccc2ccccc12)c1ccccc1F 901370061 PUCOLALDLQQPIN-AWEZNQCLSA-N 323.367 4.500 30 20 DJED Cc1ccc(-c2cc(CON=Cc3ccccc3C)on2)cc1 915213049 JSMPRGYVYONFET-UHFFFAOYSA-N 306.365 4.509 30 20 DJED COc1ccc(C(=O)/C=C/c2ccc(N3CCCCC3)cc2)cc1 916137016 AFKNFLCVKVMQHG-VGOFMYFVSA-N 321.420 4.582 30 20 DJED FC(F)(F)c1ccccc1NN=Cc1ccc2ncccc2c1 916259417 FVBHWCYKRNRZFD-UHFFFAOYSA-N 315.298 4.700 30 20 DJED CCCCCCCCCC(=O)N1CCOc2ccccc2C1 918368102 YCERBLPHSURNAK-UHFFFAOYSA-N 303.446 4.548 30 20 DJED CC(C)C[C@@H]1CCC[C@H](NCc2ccc(C#N)c(Cl)c2)C1 1178561157 BTPSWUUNYJMNCH-YOEHRIQHSA-N 304.865 4.906 30 20 DJED Cc1cc(CN2CC=C(c3cccc(Cl)c3)CC2)ccc1C#N 1181373454 PCLARIMXSKOSLQ-UHFFFAOYSA-N 322.839 4.809 30 20 DJED C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)Cc1ccc(C#N)s1 1191485425 GSZWYPRGJKKMPD-QWHCGFSZSA-N 318.873 4.897 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCC=Cc2ccccc21 1193422204 KBEHFFNBMFIURV-UHFFFAOYSA-N 302.421 4.911 30 20 DJED C[C@@H](CCC#N)CN[C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 1207715739 MZKGALOVUJWLQG-SCWSEQNSSA-N 320.436 4.781 30 20 DJED CC(C)(C#N)CCSCc1cnc(-c2ccccc2)s1 1324495105 DHOGFWIXGDJVHA-UHFFFAOYSA-N 302.468 4.983 30 20 DJED O=C(/C=C/c1ncc(-c2ccccc2)[nH]1)c1ccc(Cl)cc1 1338794889 XADAEZDQQCBGNL-ZHACJKMWSA-N 308.768 4.626 30 20 DJED C[C@@H](NC(=O)CC1(C#N)CCCCC1)c1ccc(Cl)c(F)c1 1347907900 PIDFXMUPLIXKSW-GFCCVEGCSA-N 322.811 4.520 30 20 DJED Cc1cc(N[C@H](c2ccc(F)cc2F)C(C)(C)C)ncc1C#N 1472730378 ORIBHTUADSZZJR-QGZVFWFLSA-N 315.367 4.739 30 20 DJED Cc1cc(Cl)ccc1CN1CC=C(c2ccc(C#N)cc2)CC1 1473345312 RWYGBKFTSMSQSG-UHFFFAOYSA-N 322.839 4.809 30 20 DJED CC(C)CC(CC(C)C)C(=O)O[C@@H](C)c1cccc(C#N)c1 1518199030 IMFHSLHTSGTGSY-HNNXBMFYSA-N 301.430 4.871 30 20 DJED CCCCN(C(=O)[C@H](C)Cc1ccc(C#N)cc1)c1ccccc1 1524548821 CVTGKBRNPARZGD-QGZVFWFLSA-N 320.436 4.570 30 20 DJED CC(C)(C)C1CCC(CC(=O)Nc2cc(C#N)ccc2F)CC1 1525018810 GOXGOYDHGQOKIL-UHFFFAOYSA-N 316.420 4.878 30 20 DJED C[C@@H](CN(C)C(=O)c1ccc(C#N)c(Cl)c1)C1CCCCC1 1535128196 LOQVMODKFMGDSV-ZDUSSCGKSA-N 318.848 4.500 30 20 DJED C[C@@H]1CC[C@@H](OC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 1535810322 NJXRFJRXIQQTFN-AUUYWEPGSA-N 321.376 4.696 30 20 DJED Cc1cc(N2C[C@@H](c3ccccc3)c3ccccc32)ncc1C#N 1559179375 VYDDFIOOGUOKCK-IBGZPJMESA-N 311.388 4.545 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCCc1cccc(F)c1 1559554897 NJUVWOOXUYSVFF-RTWAWAEBSA-N 322.427 4.530 30 20 DJED CC(C)CN(C(=O)OCC1CCCCC1)c1ccc(C#N)cc1 1621705980 ZVLVKRPWQXNAHO-UHFFFAOYSA-N 314.429 4.738 30 20 DJED N#Cc1ccc(NC[C@@H]2CCC[C@H]2C2CC2)cc1Br 1640030005 YDKNIHCOGAZMKX-ZFWWWQNUSA-N 319.246 4.559 30 20 DJED N#Cc1nc(N[C@@H]2CCC[C@H](c3ccccc3)C2)sc1Cl 1642666341 CKASTPIVMFCBNR-QWHCGFSZSA-N 317.845 4.806 30 20 DJED CCc1ccc([C@H]2CCCCCN2Cc2ccc(C#N)s2)o1 1644660592 BDZGEVRYZGNXFI-QGZVFWFLSA-N 314.454 4.892 30 20 DJED Cc1cc(C#N)cc(NCc2c(Cl)cccc2OC(F)F)c1 1651209988 CGUZAGZZYVJOJH-UHFFFAOYSA-N 322.742 4.734 30 20 DJED COc1cc(C#N)ccc1CN(Cc1ccc(C)cc1)C(C)(C)C 1659529173 JFBIJRNFYHAHOG-UHFFFAOYSA-N 322.452 4.676 30 20 DJED CCC(=NNc1ccc(C)c(Cl)c1)c1ccc(C(=O)O)cc1 1776034843 CQJRBAUVTWFHNN-UHFFFAOYSA-N 316.788 4.573 30 20 DJED Cc1c(NN=C(CC(C)C)c2cccs2)cccc1C(=O)O 1776086805 PSNGHJBEBHMXKV-UHFFFAOYSA-N 316.426 4.617 30 20 DJED CC(=NNc1cccc(C(=O)O)c1C)C1CCC(C(C)C)CC1 1776089393 PSQGDUZGDAKIAJ-UHFFFAOYSA-N 316.445 4.943 30 20 DJED CC(C)c1ccc(C(=O)/C=C/c2cccc(C(=O)O)c2F)cc1 1776370213 GDOHKQFCBUMNPO-ZHACJKMWSA-N 312.340 4.543 30 20 DJED Cc1cc(C)c(Nc2nnc(S[C@@H](C)C#N)s2)c(Cl)c1 16328455 UXGIGFZSSHVXRI-VIFPVBQESA-N 324.862 4.556 30 20 DJED CCN(Cc1csc(C(C)C)n1)[C@@H](C)c1ccc(C#N)cc1 60469652 AUMRDWHSNCHILO-AWEZNQCLSA-N 313.470 4.721 30 20 DJED C=CCOc1cccc(NC(=O)c2occc2-c2ccccc2)c1 65749579 CXOPKQRZODKXSN-UHFFFAOYSA-N 319.360 4.764 30 20 DJED CCC[C@H](C(=O)Nc1ccccc1SCCC#N)C(C)C 153994313 QXDBPHZANSSXHS-AWEZNQCLSA-N 304.459 4.703 30 20 DJED CC(C)(CCC#N)CNc1ccc(OC(F)F)c(Cl)c1 157435936 VPMYDPZJUFBMIO-UHFFFAOYSA-N 302.752 4.683 30 20 DJED CCCCCN(C(=O)N[C@@H](CCC#N)c1ccccc1)C(C)C 160582268 NZXXIXBYDUMHIR-SFHVURJKSA-N 315.461 4.642 30 20 DJED N#Cc1cccc(CSCc2csc(-c3ccco3)n2)c1 170941345 ZZHITAGQFFNLSN-UHFFFAOYSA-N 312.419 4.708 30 20 DJED CC[C@H](N[C@H](CCC#N)c1ccccc1)c1ccccc1OC 181575616 AFOHHTTZPFFHJA-RBUKOAKNSA-N 308.425 4.781 30 20 DJED CC[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccc(OC)cc1 181835015 OLBMQSMJCIWQNL-HXUWFJFHSA-N 322.452 4.737 30 20 DJED CC(C)n1ncc2ccc(N[C@@H](C)c3ccc(C#N)cc3)cc21 183005047 RKQKJTDLZYRHCP-AWEZNQCLSA-N 304.397 4.662 30 20 DJED N#C[C@H]1CCC[C@@H](Nc2cccc(CSc3ccccn3)c2)C1 185743301 MUDIHQZWSCZDHI-DOTOQJQBSA-N 323.465 4.868 30 20 DJED C=CCC1(C(=O)Nc2ccc(Oc3ccncc3)cc2)CCC1 190786100 JLSAWQWESMLCNR-UHFFFAOYSA-N 308.381 4.559 30 20 DJED CCc1ccccc1NC(=O)CS[C@H](C)c1cccc(C#N)c1 190905918 HQXJHSFBMYYZQC-CQSZACIVSA-N 324.449 4.554 30 20 DJED CC(C)(C)OC(=O)Nc1cccc(CSCCCC#N)c1 191001876 WEZRJTQERXCSNG-UHFFFAOYSA-N 306.431 4.571 30 20 DJED OC1=NCc2ccc(N=C(O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)cc21 329086048 GPMMYLQDYZQLEX-VBNZEHGJSA-N 312.413 4.699 30 20 DJED CCC1(C(O)=Nc2ncc(C3CCCCC3)s2)CCOCC1 329317995 SQJNLNBGKIHBFM-UHFFFAOYSA-N 322.474 4.986 30 20 DJED CC(C)C[C@@](C)(C#N)/N=C(/O)c1cc(Cl)sc1Cl 330764553 RSDNSODGAMIKLX-LBPRGKRZSA-N 305.230 4.688 30 20 DJED CC(C)c1cccc(C(C)C)c1N/C(O)=N/[C@@H]1CCC[C@@H]1C#N 330782984 ZMTVKIYNKSKNHV-RHSMWYFYSA-N 313.445 4.952 30 20 DJED Cc1cc(Cl)cc2c1OCCC[C@@H]2NCC(C)(C)CCC#N 348213305 IJBJKZRGPWNDJQ-INIZCTEOSA-N 320.864 4.782 30 20 DJED CCC[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1 353851551 MEOJGQDKYPDNNR-WOJBJXKFSA-N 320.436 4.732 30 20 DJED CSc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)s1 425363456 BSXGTKIXDAIADN-GFCCVEGCSA-N 302.468 4.535 30 20 DJED CCn1c2ccccc2c2cc(CNCC3(CC#N)CC3)ccc21 430006789 QEOQHMINIOMDKN-UHFFFAOYSA-N 317.436 4.598 30 20 DJED C[C@@H](NCC1(CC#N)CC1)c1ccc(Oc2ccccc2)cc1 430733233 DZLGSWQUKRSHON-MRXNPFEDSA-N 306.409 4.823 30 20 DJED N#CCC1(CN[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 430736442 DNCKLMYQYWJEHV-HOTGVXAUSA-N 322.374 4.625 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1sc(-c2ccccc2)nc1C 439366546 CRGMRXSDVATUEL-CQSZACIVSA-N 315.442 4.595 30 20 DJED N#C[C@@H]1CC[C@@H](N[C@@H](c2ccccc2)c2cc3ccccc3o2)C1 442761887 DGIVNDGQCKDZRT-FPDPHYFHSA-N 316.404 4.804 30 20 DJED C=CCn1c(SCCC(C)(F)F)nnc1-c1ccc(C)cc1 450878345 SINVOQFPEZOGDL-UHFFFAOYSA-N 323.412 4.577 30 20 DJED CC(C)[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 471621797 UIDHARHBOCLVDA-WQVCFCJDSA-N 310.363 4.684 30 20 DJED C=CCCCCNC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 472836459 PDCGWLLRUCGLAC-MRXNPFEDSA-N 306.837 4.543 30 20 DJED C=CCCC1(C(=O)Nc2cccc(COC(C)(C)C)c2C)CC1 476239477 QAGTYXUXENJSKJ-UHFFFAOYSA-N 315.457 4.995 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)CCC1CCCCC1 498450704 QNJGAWYCMHSFLA-UHFFFAOYSA-N 312.457 4.657 30 20 DJED CC(C)CN(C(=O)c1ccccc1Cl)c1ccc(C#N)cc1 499320651 UCQHCIROFQWBTF-UHFFFAOYSA-N 312.800 4.514 30 20 DJED C=CCOc1cccc(NC(=O)Cc2csc3ccccc23)c1 501157144 QNKYXMWWVRHCAE-UHFFFAOYSA-N 323.417 4.647 30 20 DJED N#CC1(CCCSCc2cc3ccccc3o2)CCOCC1 510135580 OXJAVFAUOVWYLD-UHFFFAOYSA-N 315.438 4.767 30 20 DJED Cc1ccccc1[C@H](C)c1noc(-c2ccc(C#N)c(Cl)c2)n1 515708569 QRHNHBBVYQFMHW-LBPRGKRZSA-N 323.783 4.722 30 20 DJED C=CCN(Cc1csc(C(C)C)n1)Cc1ccccc1F 515770398 HJNJXCLPTYTTPO-UHFFFAOYSA-N 304.434 4.594 30 20 DJED N#Cc1ccc(OCc2csc(C3CCCCC3)n2)cc1F 520188715 OCOQWSHXNZUGHV-UHFFFAOYSA-N 316.401 4.781 30 20 DJED C[C@@H](N[C@H]1CCc2cc(F)c(Cl)cc21)c1ccc(C#N)cc1 527850739 KLRNHWXQSDVMPG-ZMZPIMSZSA-N 314.791 4.689 30 20 DJED C=C[C@H](CC(=O)N(CC)Cc1cccc(F)c1)c1ccccc1 536090329 KJIQYKNELSDCLN-QGZVFWFLSA-N 311.400 4.534 30 20 DJED Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](CCC#N)c1ccccc1 537947333 QXHCWCAMPQNOFA-DNVCBOLYSA-N 323.396 4.599 30 20 DJED C=CCC[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCC)C1CC1 538625792 KDVWRHYXVXDYKA-GOSISDBHSA-N 312.457 4.533 30 20 DJED CCCOc1cc(C)ccc1CN[C@@H](C)c1cccc(C#N)c1 539494252 CGGDHKDWWSQFCG-INIZCTEOSA-N 308.425 4.506 30 20 DJED C[C@H](CCC(C)(C)C)C(=O)Nc1sc2c(c1C#N)CCC2 558392992 JVAMPCHGBLWKII-LLVKDONJSA-N 304.459 4.509 30 20 DJED CC[C@]1(C)C[C@@H]1C(=O)N(Cc1ccccc1)c1ccccc1C#N 569288146 BBXKNMCCCFDQCU-WIYYLYMNSA-N 318.420 4.528 30 20 DJED Cc1cc2cc(CN[C@@H]3CCCc4cc(C#N)ccc43)ccc2[nH]1 586796481 GOCZIOVIBZBQAZ-OAQYLSRUSA-N 315.420 4.515 30 20 DJED N#CCC1(Cn2ccc(-c3cc(Cl)ccc3Cl)n2)CC1 596256976 FSEIMZOVETUWBP-UHFFFAOYSA-N 306.196 4.551 30 20 DJED C=CC[C@H](C)NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl 604900751 GHDAKGIRONITRH-QWRGUYRKSA-N 315.244 4.660 30 20 DJED N#Cc1nnc2ccccc2c1Oc1ccc(Cl)cc1Cl 610128439 KOMCIGCRUFZHMM-UHFFFAOYSA-N 316.147 4.601 30 20 DJED COc1ccc2cc(/C=C\C(=O)c3ccc(O)c(F)c3)ccc2c1 728438936 RCKOSBXXGKVEGT-BAQGIRSFSA-N 322.335 4.589 30 20 DJED C=CCOC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1 730075783 YMHJCGSBVPQGRW-INIZCTEOSA-N 320.360 4.527 30 20 DJED C=CCCOC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1 730398833 OVGMKACDWKEVRK-QGZVFWFLSA-N 316.397 4.778 30 20 DJED C#Cc1cccc(NC(=O)C2(Sc3ccccc3)CCCC2)c1 731843089 WODXFXPZCUJHLS-UHFFFAOYSA-N 321.445 4.712 30 20 DJED C#Cc1cccc(NC(=O)c2sccc2-c2ccc(F)cc2)c1 743751137 GFRNXVDNNQYVGR-UHFFFAOYSA-N 321.376 4.788 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C1CCCCCCC1 752045989 IDPHJCCKSMQTBX-WOJBJXKFSA-N 324.468 4.645 30 20 DJED C#CC[C@@H](NCc1cnc(-c2ccccc2)s1)c1ccccc1 756996476 GITVZBRKJBROER-LJQANCHMSA-N 318.445 4.664 30 20 DJED CCCCCCCCC/C=C/C(=O)Nc1cnc(O)c(C)c1 757572956 WYJBGBAMEPPYEY-VAWYXSNFSA-N 304.434 4.731 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2cc(F)cc(C(F)(F)F)c2)cc1 772803338 SSXQZXNNPQRQFS-UTCJRWHESA-N 319.257 4.612 30 20 DJED Cc1ccc(-c2cncc(C(=O)OCCCC(C)(C)C#N)c2)cc1 784122209 MLRKTQKKNGKWCB-UHFFFAOYSA-N 322.408 4.544 30 20 DJED Cc1cnn(C)c1/C=C/C(=O)c1cc2c(ccc3ccccc32)o1 794697597 LMKXQUSSNQYHBK-CMDGGOBGSA-N 316.360 4.524 30 20 DJED Cc1ccc(C(=O)N(c2ccc(F)cc2)C2CCCC2)cc1C#N 799348796 PXSRCODSNFFHGV-UHFFFAOYSA-N 322.383 4.595 30 20 DJED CCCCCCCCCC(=O)N1CCCC[C@H]1c1cc[nH]n1 804275906 GBSDRQKQPRYISO-KRWDZBQOSA-N 305.466 4.604 30 20 DJED C#C[C@@H](NCc1cc(C)sc1C)c1ccc(Cl)cc1F 809698770 IKRIEBVSYVMGCD-MRXNPFEDSA-N 307.821 4.622 30 20 DJED C#C[C@@H](NCc1ccc2nc(C)ccc2c1)c1ccc(Cl)cc1 811516735 UZVCWLNDGCIMHC-LJQANCHMSA-N 320.823 4.661 30 20 DJED CC[C@H](CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1)c1ccccc1 842942958 RQZMELHQCHWGEA-CZUORRHYSA-N 324.449 4.781 30 20 DJED CC(C)(C)c1ncc(/C=C/C(=O)c2ccc(C(F)F)nc2)s1 853009074 FFNYXSJQGOTKKB-FNORWQNLSA-N 322.380 4.669 30 20 DJED C/C=C\C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 916056721 GPTGMTGDPLWGEM-SKKUGFDVSA-N 310.784 4.510 30 20 DJED CCCCc1nnc(S)n1N=CC[C@@H](C)CCC=C(C)C 916302116 LANSNKQNTAOMLB-AWEZNQCLSA-N 308.495 4.516 30 20 DJED Fc1c(Cl)cccc1NN=Cc1ccccc1C(F)(F)F 921137846 OMUUPVIGRSJFAN-UHFFFAOYSA-N 316.685 4.944 30 20 DJED CCCOc1ccc(/C=C2\Cc3cc(C)ccc3C2=O)cc1OC 921264149 PFTLVWOQOACKMZ-GZTJUZNOSA-N 322.404 4.615 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1CCC(C)(c2ccccc2)CC1 1168215072 NZKCVWSNUXFPKM-KRWDZBQOSA-N 304.437 4.673 30 20 DJED Cc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1C#N 1264236782 GXBSOJAUKFKGGG-UHFFFAOYSA-N 324.383 4.690 30 20 DJED CCCCc1ccc(Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 1341530944 GRYOIECVFNMYQS-UHFFFAOYSA-N 317.392 4.542 30 20 DJED CCC[C@@H]1CCc2ccccc2N1Cc1ccc(F)cc1C#N 1459720538 IIOHAUUILOKZQP-LJQANCHMSA-N 308.400 4.819 30 20 DJED CCc1ccc(C2CCN(Cc3ccc(F)cc3C#N)CC2)cc1 1460567572 RVCYIJGTMCBHBW-UHFFFAOYSA-N 322.427 4.639 30 20 DJED Cc1cc(C#N)cc(NC(=O)N(C2CC2)[C@H](C)c2ccccc2)c1 1466839904 YAZARWJVMCPISJ-OAHLLOKOSA-N 319.408 4.624 30 20 DJED C[C@H]1CCC[C@@H](OCc2cccc(Nc3cccc(C#N)n3)c2)C1 1472675452 WLEUBTDMQMNTOH-HNAYVOBHSA-N 321.424 4.792 30 20 DJED CC1(C)CCCN(CCCc2ccc(C(F)(F)F)cc2)[C@H]1C#N 1473449661 STDKAYAPRWUYMS-INIZCTEOSA-N 324.390 4.652 30 20 DJED CCc1ccc(N(CC(C)(C)C)C(=O)CC(C)(C)C#N)cc1 1521773180 MNMCYZGSVIXILF-UHFFFAOYSA-N 300.446 4.568 30 20 DJED Cc1cccc2c1CC(C)(C)N(C(=O)CC1(C#N)CCCCC1)C2 1534566814 DYNMURPJXLFCPF-UHFFFAOYSA-N 324.468 4.523 30 20 DJED CC(C)(C)[C@@H]1CCCN(C(=O)CC2(C#N)CCCCC2)CC1 1538090666 FBSKUPFSEDETSI-MRXNPFEDSA-N 304.478 4.525 30 20 DJED CC(C)C[C@@H]1CCN(c2c(C#N)cnc3c(Cl)cccc23)C1 1559122330 KATSIZWFQSXIPQ-ZDUSSCGKSA-N 313.832 4.632 30 20 DJED N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCCc1cccc(F)c1 1559554895 NJUVWOOXUYSVFF-LEWJYISDSA-N 322.427 4.530 30 20 DJED C[C@H](NCCC1(C#N)CCCCC1)c1ccc(Cl)c(F)c1 1559705809 ZRGFVBJKQZCZNI-ZDUSSCGKSA-N 308.828 4.994 30 20 DJED Cc1ccnc(NCc2ccc(C3CCCCC3)cc2)c1C#N 1639953227 RFBHTWSGLVVCLI-UHFFFAOYSA-N 305.425 4.922 30 20 DJED COc1cc(OCc2cc(Cl)sc2Cl)ccc1C#N 1641093827 SAFORROFGQUKEC-UHFFFAOYSA-N 314.193 4.514 30 20 DJED CCCC(CCC)SCC(=O)Nc1ccc(C#N)c(Cl)c1 1651784163 JQTVYWDDGCLKQT-UHFFFAOYSA-N 324.877 4.852 30 20 DJED CC(C)CNc1nnc(SCCC2(C#N)CCCCC2)s1 1652554033 NALJLWNCBQPRHK-UHFFFAOYSA-N 324.519 4.562 30 20 DJED CC[C@H](C)N(CCc1ccccc1F)Cc1ccc(CC#N)cc1 1657107705 TUTOFDLLZDZVRI-KRWDZBQOSA-N 324.443 4.735 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1nc2ccccc2s1 60208190 PUPKTLFGRLYICT-UHFFFAOYSA-N 321.449 4.579 30 20 DJED N#Cc1cccc(CN[C@H](c2ccccc2)c2cccc(F)c2)c1 88536430 HOBPIIYOHZPMDN-OAQYLSRUSA-N 316.379 4.577 30 20 DJED N#Cc1ccc(CNc2ccccc2CCC(F)(F)F)cc1 89118800 RSHVIQKILFZMFP-UHFFFAOYSA-N 304.315 4.665 30 20 DJED Cc1ncccc1/C=C/C(=O)c1ccc(SCC(F)F)cc1 132727066 SMQXWIFRLJWTIP-RMKNXTFCSA-N 319.376 4.643 30 20 DJED C=CCC[C@@H](NCC(=O)Nc1c(C)cccc1C)c1ccccc1 159879737 VWWGTELYDHYTOQ-LJQANCHMSA-N 322.452 4.539 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)CCCc2cccs2)n1 177756859 DNUSWXYQVYTZNU-CYBMUJFWSA-N 318.467 4.527 30 20 DJED O=C(/C=C/c1csc(-c2ccsc2)n1)c1sccc1O 184516750 YCBSNKWBPWJTSF-OWOJBTEDSA-N 319.432 4.535 30 20 DJED C[C@H](NCCCSCC#N)c1ccc(Cl)c2ccccc12 185379474 BKOBCROEJLDMFG-ZDUSSCGKSA-N 318.873 4.791 30 20 DJED C[C@@H](NCc1ccccc1C#N)c1cc(Cl)ccc1Cl 189271057 BNYFGFOIXBWLHP-LLVKDONJSA-N 305.208 4.716 30 20 DJED Cc1cc(NCc2ccc(C#N)s2)cc(C)c1Br 235841642 WHCDYLAXZNCJHG-UHFFFAOYSA-N 321.243 4.611 30 20 DJED CCCn1nc(C)c(/C=C\C(=O)c2ccc(SC)cc2)c1C 255309601 OBFNAMRGYSPDKD-KHPPLWFESA-N 314.454 4.528 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)/C=C\C2CCCCC2)n1 255919209 DFFPGDTUCVHEGW-CKXPSTMWSA-N 302.443 4.579 30 20 DJED N=C(O)C1(C/N=C(/O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCC1 328789115 PRNRDJYOQQHVDC-RRFJBIMHSA-N 306.450 4.645 30 20 DJED C[C@@H]1CC[C@H](/N=C(/O)c2ccc3c(c2)N=C(O)C3(C)C)[C@H](C)C1 328807280 CUXJOCQORXLCPH-JMSVASOKSA-N 314.429 4.695 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCSc2ccccc21 341760163 JLIIJKKVTXOPTO-OALUTQOASA-N 320.461 4.762 30 20 DJED C[C@H](N[C@H](CC(F)F)c1ccccc1)c1cccc(C#N)c1 421867580 BNXCQGOLGCPHJK-SUMWQHHRSA-N 300.352 4.605 30 20 DJED N#Cc1ccc2c(c1)[C@H](N[C@@H](CC(F)F)c1ccccc1)CC2 421880558 QNCXCHAPGKYUIP-MSOLQXFVSA-N 312.363 4.532 30 20 DJED Cc1cc(CNc2ccc(COC3CCCC3)cc2)ccc1C#N 443993955 NPIPIGVRGNXHJV-UHFFFAOYSA-N 320.436 4.938 30 20 DJED Cc1c(-c2noc(-c3ccc(CC#N)cc3)n2)oc2ccccc12 445505729 PTHYKYAGBMLRBA-UHFFFAOYSA-N 315.332 4.524 30 20 DJED CC(C)Oc1cccc(NCc2cccc(OCCCC#N)c2)c1 449467558 MMNGUCTVGGYXBY-UHFFFAOYSA-N 324.424 4.768 30 20 DJED CCCCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H](C)CC 475765915 HMYKVOFZDASIQQ-OAHLLOKOSA-N 300.446 4.529 30 20 DJED C=CCC[C@@H](CC)N[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 483668867 LVYOBBQPOLKFRQ-DZGCQCFKSA-N 317.408 4.580 30 20 DJED CCC[C@@H](CC1CCCC1)C(=O)N(C)Cc1cccc(C#N)c1 499397207 WIFJWMKIPHTMSC-IBGZPJMESA-N 312.457 4.513 30 20 DJED CC(C)(C#N)CCCN(Cc1ccccc1Cl)CC1CC1 510216812 WYHXOZNKGRPXST-UHFFFAOYSA-N 304.865 4.882 30 20 DJED C=CCCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 522477624 SLXPEUGEISNIIY-UHFFFAOYSA-N 311.225 4.629 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)NCC(CC)CC 523435255 QXPJTUCFIKGFNP-UHFFFAOYSA-N 314.882 4.535 30 20 DJED C=C[C@@H](CC(=O)N(C)C[C@H](C)c1ccccc1)c1ccccc1 536114198 OATXAHOWUHDLFA-ROUUACIJSA-N 307.437 4.608 30 20 DJED C[C@H](N[C@@H]1c2ccccc2CC[C@@H]1C)c1ccc(C#N)c(F)c1 540918339 ZHLZCRTXFGWCNL-YRVVQQKDSA-N 308.400 4.672 30 20 DJED CC(C)Oc1c(Cl)cccc1NCc1ccc(CC#N)cc1 542234647 GPSHKZCVVGYJSP-UHFFFAOYSA-N 314.816 4.805 30 20 DJED CC(C)n1cc([C@H](C)Nc2ccc(C(F)(F)F)c(C#N)c2)cn1 547328923 OUSXSFUZZNSWHQ-NSHDSACASA-N 322.334 4.528 30 20 DJED C[C@@H](Nc1cn(C)nc1C1CCCCC1)c1ccc(C#N)cc1 560355654 JIYQOAYNZROGCD-CQSZACIVSA-N 308.429 4.513 30 20 DJED C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccccc21 574718676 RIYPZOAGDVISDL-AWEZNQCLSA-N 319.408 4.643 30 20 DJED C=CCC(C)(C)C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 579819581 OFLKUYASDCEZSF-HNNXBMFYSA-N 324.424 4.653 30 20 DJED N#CCCCCCC(=O)Nc1ccccc1Oc1ccccc1 588814950 NAHZTMBBOSXRQB-UHFFFAOYSA-N 308.381 4.891 30 20 DJED C#Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)c1 730742983 XJFFHIUIGMYUBN-RTWAWAEBSA-N 311.384 4.563 30 20 DJED C=C(C)COC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1 731377080 NOWCLGKGLZVFLD-UHFFFAOYSA-N 319.360 4.742 30 20 DJED Cc1nc(C)c(C=NNc2cc(C)c3ccc(C)c(C)c3n2)s1 736430020 MGVVYQTXXCZHDI-UHFFFAOYSA-N 324.453 4.679 30 20 DJED C#CCOc1ccc(N[C@H](CC)c2ccc(F)cc2F)cc1 738426737 VQLUPGLDRAFELL-GOSISDBHSA-N 301.336 4.540 30 20 DJED C=C(C)CNC(=S)Nc1cccc(CSC2CCCC2)c1 740770976 QMACQGNTTGMTAC-UHFFFAOYSA-N 320.527 4.725 30 20 DJED CCCCCCCC(=O)Nc1c(Cl)ccc2nsnc12 742222731 ZSJQFBGKVFTCIN-UHFFFAOYSA-N 311.838 4.644 30 20 DJED C#Cc1cccc(NC(=O)N2CCCC[C@@H]2c2ccc(C)cc2)c1 743084843 CYINKCSVAUIBAU-HXUWFJFHSA-N 318.420 4.735 30 20 DJED CC(C)=CCC/C(C)=C/C=NNc1oc(C(C)C)nc1C#N 745611799 JFKFKXDUULCHPY-QCVPEABZSA-N 300.406 4.760 30 20 DJED O=C(/C=C\c1ccc(F)c(C(F)(F)F)c1)c1ccccc1F 755568546 BNCCBPHWOFPVHB-VURMDHGXSA-N 312.237 4.880 30 20 DJED C#CC[C@@H](NC(=O)Nc1cccc2ccccc12)c1ccccc1 756921960 MIIXGMAJCRQYIN-LJQANCHMSA-N 314.388 4.726 30 20 DJED C=CCC[C@@H](NC(=O)Nc1cccnc1Cl)c1ccccc1 771909384 OCLZEHAOSIKDTN-CQSZACIVSA-N 315.804 4.564 30 20 DJED C#CC[C@@H](N[C@@H](C)c1cc(Cl)ccc1OC)c1ccccc1 773117879 YAUZPIYRXZMPLC-KBXCAEBGSA-N 313.828 4.764 30 20 DJED C#CCCCCCC(=O)N1Cc2ccccc2-c2ccccc2C1 779900159 SOLYSRNGKKDWMA-UHFFFAOYSA-N 317.432 4.780 30 20 DJED CCCCC[C@](C)(CC)C(=O)N(C)Cc1ccc(C#N)cc1 780328267 BBLGPCCMMQFTEQ-IBGZPJMESA-N 300.446 4.513 30 20 DJED C[C@@]1(c2ccccc2)CC[C@H](Nc2cccc(OCC#N)c2)C1 783661366 VNJIIMYNZOYAAV-AZUAARDMSA-N 306.409 4.511 30 20 DJED C=CC[C@H](N[C@@H](C)CCc1ccc(F)cc1F)c1ccncc1 796770022 BANRZOPRSSWSBN-LIRRHRJNSA-N 316.395 4.588 30 20 DJED Cc1ccc(-c2nnc(SCC3(C#N)CCCC3)o2)cc1C 915512299 KIKHEEUBJHNELG-UHFFFAOYSA-N 313.426 4.530 30 20 DJED Cc1cc(F)ccc1C(=O)/C=C/c1ccc(N2CCCC2)cc1 1116014122 DZILIJJJJNZVQA-IZZDOVSWSA-N 309.384 4.630 30 20 DJED C=C(C)CCC(=O)Nc1ccccc1COCc1ccccc1 1120584517 LSDUIIBPKJOIHF-UHFFFAOYSA-N 309.409 4.698 30 20 DJED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)c1cccc(F)c1C#N 1162297412 MSUDUEDLGJNQID-LLVKDONJSA-N 322.305 4.914 30 20 DJED N#Cc1cc(CSc2nc3cccc(F)c3s2)ccc1F 1166730600 HYNGWGDKWUMPGA-UHFFFAOYSA-N 318.373 4.738 30 20 DJED Cc1cc(C#N)cc(NCc2ccc(Oc3ccccc3)o2)c1 1178945752 YJLHZJIWZLWYCR-UHFFFAOYSA-N 304.349 4.864 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCc1ccccc1Cl 1191157378 XSEKOEFVSLWXRP-QUCCMNQESA-N 324.855 4.654 30 20 DJED CCCc1c(N[C@@H](C)CC(C)C)cnn1-c1cccc(C#N)c1 1205453278 AQPXKWHCJPOYSF-HNNXBMFYSA-N 310.445 4.543 30 20 DJED N#Cc1cc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)ccc1Cl 1352797579 KKAXKGNTXUMZMD-HZSPNIEDSA-N 316.832 4.757 30 20 DJED CC[C@H](C)[C@@H](C(=O)OCc1ccc(CC#N)cc1)c1ccccc1 1435686850 NJAOIGHKPJNSHG-OXJNMPFZSA-N 321.420 4.626 30 20 DJED CCC[C@@H](CC1CCCC1)C(=O)OCc1cc(C#N)ccc1F 1457385588 MGTXHFJMIZJVPB-INIZCTEOSA-N 317.404 4.737 30 20 DJED Cc1ccc(C#N)cc1C(=O)N[C@H](CC(C)(C)C)c1ccccc1 1526761971 SWQKRBZLMKZKRW-LJQANCHMSA-N 320.436 4.774 30 20 DJED CC(C)Cc1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)cc1 1531846869 KWQSMJLZVYISJT-UHFFFAOYSA-N 312.800 4.662 30 20 DJED N#Cc1sc(Oc2cccc(-c3ccccn3)c2)nc1Cl 1559245336 XHLOPJZSJOFLFL-UHFFFAOYSA-N 313.769 4.522 30 20 DJED CC(C)(C)c1ccc(C#N)c(N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)n1 1611944769 CQJJLOSMWGPBRE-AKCHCHLHSA-N 311.473 4.877 30 20 DJED Cc1cc(N2CCC[C@H]2c2ccc(C(C)C)cc2)ncc1C#N 1639737865 JQVFTVXXYZAKQH-IBGZPJMESA-N 305.425 4.727 30 20 DJED Cc1cc(S[C@H](C)c2noc(-c3ccccc3)n2)ccc1C#N 1641222721 KCHAESNFROBIGO-CYBMUJFWSA-N 321.405 4.770 30 20 DJED Cc1cc(NCC2CCCCC2)n2c(nc3ccccc32)c1C#N 1649265779 RNRPWXSXHFTMJA-UHFFFAOYSA-N 318.424 4.660 30 20 DJED Cc1cc(C(F)(F)F)ccc1CN(CCC#N)CC(C)(C)C 1651834849 WQELHPPNXMCLQO-UHFFFAOYSA-N 312.379 4.776 30 20 DJED CCCN(Cc1ccc(C#N)cc1OC)[C@@H](CC)c1ccccc1 1652360568 FZBGCTZBLCYMLM-FQEVSTJZSA-N 322.452 4.930 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 1652648117 RNZPFHQFPWQQMF-KCMWZYNZSA-N 302.849 4.648 30 20 DJED Cc1ccc(C#N)c(NCc2ccc(-c3ccccc3)c(C)c2)n1 1655402575 YKOMVYMKLKCMDH-UHFFFAOYSA-N 313.404 4.849 30 20 DJED O=C(O)c1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 13343400 NNQVPIMSQBTSND-FPYGCLRLSA-N 321.159 4.588 30 20 DJED COc1ccc(C(=O)/C=C/c2cccc(C#N)c2)c2ccccc12 14179594 JILIITHGGWEWKO-PKNBQFBNSA-N 313.356 4.616 30 20 DJED C=CCn1c(SC2CCCCC2)nnc1-c1ccc(F)cc1 59795766 OXWSKVKCSHIZGM-UHFFFAOYSA-N 317.433 4.695 30 20 DJED CCCCCCCCC(=O)NCCc1c[nH]c2ccccc12 59929226 JHKBQGYMCOBVJV-UHFFFAOYSA-N 300.446 4.577 30 20 DJED N#Cc1ccc(CNCc2ccc(Oc3ccccc3)cc2)cc1 61079297 QYBVRPKHJLHQCZ-UHFFFAOYSA-N 314.388 4.640 30 20 DJED C=C[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1)c1ccccc1 127238328 PPHNCHRUZOYBFI-YLJYHZDGSA-N 305.421 4.710 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCc1c(F)cccc1F 182499746 AHOUFEMIBRFIAF-LBPRGKRZSA-N 318.392 4.971 30 20 DJED COc1ccc(Cl)cc1[C@H](C)N[C@H](C)c1ccc(C#N)cc1 268782844 BHNSMNASAFMOEU-OLZOCXBDSA-N 314.816 4.632 30 20 DJED N=C(O)c1ccc(N=C(O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c(F)c1 329165605 HNTRHOSBNDZLBN-FPMFFAJLSA-N 318.392 4.904 30 20 DJED CC(C)c1nnc(C/N=C(/O)C[C@H](C)C2CCCCC2)s1 329835110 LXOZVMVKYLNRFI-LBPRGKRZSA-N 309.479 4.725 30 20 DJED Cc1nc(-c2ccc([C@H](C)Nc3cnccc3C#N)cc2)cs1 354556839 DDXNTFFVTRKSJG-LBPRGKRZSA-N 320.421 4.558 30 20 DJED N#Cc1ccccc1SCc1nc(-c2ccccc2)cs1 436195311 CHQQKXYZQMBWHS-UHFFFAOYSA-N 308.431 4.974 30 20 DJED CC[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 439526276 ZPIRCLMAMIUCHL-VBSBHUPXSA-N 324.468 4.501 30 20 DJED CCc1noc(C)c1CSCc1ccc(Cl)cc1C#N 478918274 VGAGOZKSQWJABI-UHFFFAOYSA-N 306.818 4.504 30 20 DJED C=CCN(CCc1ccco1)C(=O)c1cc2cc(C)c(C)cc2o1 490276516 ROJMQUOTBUAUMB-UHFFFAOYSA-N 323.392 4.514 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 504147243 ZBJYVSGLECHXOF-UHFFFAOYSA-N 315.747 4.648 30 20 DJED N#CCCN(Cc1ccco1)Cc1c(Cl)oc2ccccc12 505762558 OALUKPZSVYDBLV-UHFFFAOYSA-N 314.772 4.595 30 20 DJED N#CCCN(Cc1ccco1)Cc1ccc(-c2ccccc2F)o1 505779021 XMCJUWMVGDJZQB-UHFFFAOYSA-N 324.355 4.595 30 20 DJED C[C@@H]1CCC[C@@H](CC(=O)Nc2ccccc2SCCC#N)C1 524674512 MJBPLIXIOKJIKQ-HUUCEWRRSA-N 316.470 4.847 30 20 DJED CCn1c(-c2cccc(-c3ccccn3)c2)nc2cc(C#N)ccc21 533910327 ZJEJYCHWZYMKFX-UHFFFAOYSA-N 324.387 4.657 30 20 DJED C[C@@H](NCc1cccc(C(F)(F)F)c1)c1ccc(C#N)c(F)c1 537401409 SCVYGCNTGUXSPX-LLVKDONJSA-N 322.305 4.567 30 20 DJED C=CCN(C(=O)c1oc2c(ccc3ccccc32)c1C)C1CC1 537932677 SNNHSJHEYSUSAH-UHFFFAOYSA-N 305.377 4.685 30 20 DJED CC[C@@H](CC(=O)N[C@](C)(C#N)C1CCCCC1)c1ccccc1 550747942 KWVBQAXSDFYJCL-OXJNMPFZSA-N 312.457 4.549 30 20 DJED CN(C(=O)CCCCCC#N)C1c2ccccc2-c2ccccc21 588630603 FIHZJBJPVLJPFM-UHFFFAOYSA-N 318.420 4.689 30 20 DJED CC(C)(C)Oc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 589342906 RMDHLBGLNTYLBB-FQEVSTJZSA-N 320.436 4.513 30 20 DJED C=C(C)CN(CC)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 591606900 HLHCLIGEOWCQOY-KRWDZBQOSA-N 320.864 4.789 30 20 DJED CCN(Cc1nccc2ccccc12)[C@H](C)c1ccc(C#N)cc1 611256481 YUPAGJBHBFGOAY-MRXNPFEDSA-N 315.420 4.690 30 20 DJED CSc1cc(C)ccc1CN[C@@H]1CCCc2cc(C#N)ccc21 611393388 FANHCHZASLQQNJ-LJQANCHMSA-N 322.477 4.756 30 20 DJED C[C@@H](CCCC(F)(F)F)Nc1ccc2cc(C#N)ccc2n1 617221158 AQJSOTROZQTZDR-NSHDSACASA-N 307.319 4.639 30 20 DJED CCCC(=NNc1ncnc2sccc12)C1CCCCC1 727776906 HQTOPXFPLHIXST-UHFFFAOYSA-N 302.447 4.840 30 20 DJED COCCCOc1cccc(/C=C/C(=O)c2cc(C)cc(C)c2)c1 730437775 UXBRJSHACHWIKJ-CMDGGOBGSA-N 324.420 4.615 30 20 DJED COc1cc(C)c(C(=O)/C=C\c2ccccc2Cl)cc1OC 731319824 QTYLZJAZKLJORW-HJWRWDBZSA-N 316.784 4.562 30 20 DJED COc1ccc(/C=C2/CCc3sccc3C2=O)cc1Cl 741466688 AXWNTTKJCKGPFQ-FLIBITNWSA-N 304.798 4.623 30 20 DJED O=C(/C=C/c1cccc(-c2ccccn2)c1)c1ccc(F)cc1F 747697620 ZKOLWBWLNSSZLW-JXMROGBWSA-N 321.326 4.923 30 20 DJED CCN(C)c1ccc(C(=O)/C=C\c2nccc3ccccc23)cc1 748440484 DALKEHKLJCGIFO-SEYXRHQNSA-N 316.404 4.587 30 20 DJED Cc1ncccc1/C=C\C(=O)c1cc(Cl)ccc1OC(F)F 748440588 OGKKKXLDAPPWJI-XQRVVYSFSA-N 323.726 4.541 30 20 DJED CCc1cccc(NC(=S)N(c2cccc(C#N)c2)C(C)C)c1 749768268 OFBYOYHTKVZNSQ-UHFFFAOYSA-N 323.465 4.732 30 20 DJED COc1ccc([C@@H](C)NCc2ccc(C#N)cc2)c2ccccc12 765013867 UBQZCHSEVGJKBH-OAHLLOKOSA-N 316.404 4.571 30 20 DJED C[C@H](C#N)Oc1ccc(CN2CC(C)(C)[C@@H]2c2ccccc2)cc1 769087228 ONJAFQGOCPVZFV-UZLBHIALSA-N 320.436 4.561 30 20 DJED O=C(/C=C\c1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1Cl 774107248 XARRMUGWBIUKIF-VURMDHGXSA-N 322.147 4.798 30 20 DJED CC(C)(C)c1cnc(/C=C2/CCc3sccc3C2=O)s1 790600693 LMBFEXMXSILKRS-NTMALXAHSA-N 303.452 4.715 30 20 DJED Clc1ccc(NN=C2CCCC23CCOCC3)c(Cl)c1 799870465 MPFSFPBSESNQEX-UHFFFAOYSA-N 313.228 4.742 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@H]2CCCc3ccc(C)cc32)c1 808117734 WZKOLEGHYBNSBJ-IBGZPJMESA-N 304.393 4.559 30 20 DJED Cc1ccc(/C=C\C(=O)c2c(F)cccc2Cl)cc1[N+](=O)[O-] 809159385 ONSJZFKPNUIFAB-FPLPWBNLSA-N 319.719 4.592 30 20 DJED C[C@@H]1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)c2ccccc21 809159518 QVKYGPUNGYFSST-CEITULEQSA-N 313.740 4.632 30 20 DJED CC1(C)C[C@H](NN=C2CCCC[C@H]2C2=CCCCC2)CCO1 814910418 UTXAAOLEXRUQKM-SJORKVTESA-N 304.478 4.580 30 20 DJED C[C@H](Nc1ccc(F)cc1C#N)c1cccc(OC(F)(F)F)c1 864011539 ZPLXIQAWVFLNFE-JTQLQIEISA-N 324.277 4.769 30 20 DJED CCCCCCCC(=O)N1CCCCC[C@@H]1c1cccn1C 912999395 JEDIJWLFIJITIN-GOSISDBHSA-N 304.478 4.829 30 20 DJED CC(C)N(CCSC1CCCCC1)Cc1ccc(C#N)cc1 1190635783 POLYUXMQCFFKPD-UHFFFAOYSA-N 316.514 4.835 30 20 DJED C=C(CNC(=O)CCc1ccc2ccccc2c1)c1ccccc1 1274941156 DILFMTVRATZNID-UHFFFAOYSA-N 315.416 4.602 30 20 DJED C=C(CNC(=O)C[C@H](c1ccccc1)C(C)C)c1ccccc1 1274941735 NJBAPEYBPDVSTF-FQEVSTJZSA-N 307.437 4.646 30 20 DJED Cc1ccc(N(CCC#N)C(=O)[C@H](C)CC2CCCCC2)cc1 1318608822 ZJKFEYLQQOEVAU-QGZVFWFLSA-N 312.457 4.848 30 20 DJED C[C@H](CC1CCCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 1348338577 JQLJHDFBXARGGY-GFCCVEGCSA-N 304.821 4.757 30 20 DJED Cc1cc(N[C@@H](c2ccc(F)cc2)C2CCCC2)ncc1C#N 1458169834 XWPSQMHIUFUFJW-LJQANCHMSA-N 309.388 4.744 30 20 DJED N#Cc1nc(N[C@@H]2C[C@H]2c2ccc3ccccc3c2)ccc1Cl 1458348237 ZOFOKPFEAJLVKF-DOTOQJQBSA-N 319.795 4.728 30 20 DJED Cc1cc(C)cc(CNc2c(C#N)cnc3c(Cl)cccc23)c1 1458496300 SQSZVJGTSPNZNI-UHFFFAOYSA-N 321.811 4.989 30 20 DJED C[C@@H]1[C@H](Cc2ccccc2)CCN1CCC1(C#N)CCCCC1 1459631130 KMCZNGKPDYKIPL-QUCCMNQESA-N 310.485 4.804 30 20 DJED Cc1cc(C)cc(C2CCN(CCc3ccc(C#N)cc3)CC2)c1 1460894850 HZSHOMWPWLOKFE-UHFFFAOYSA-N 318.464 4.597 30 20 DJED C[C@H](CCC(C)(C)C)C(=O)Nc1cc(C#N)cn1C(C)(C)C 1534571174 LLWAZHCPTGERQS-CYBMUJFWSA-N 303.450 4.516 30 20 DJED COC[C@H](SCc1ccc(Cl)cc1C#N)c1ccccc1 1559473457 VFFDBBXDAUMDOA-KRWDZBQOSA-N 317.841 4.833 30 20 DJED N#Cc1cccc(CN(C2CC2)[C@@H]2CCCc3ccccc32)c1F 1559604420 GBMDMUTZGBNIQS-HXUWFJFHSA-N 320.411 4.739 30 20 DJED CCSc1cccc(CN(C)[C@H](C)c2cccc(C#N)c2)c1 1560897505 DITNOROPYNXCFM-OAHLLOKOSA-N 310.466 4.863 30 20 DJED CC1(C)C[C@H](c2ccccc2)N(c2ccc(Cl)c(C#N)n2)C1 1612519501 PWORIWDXLHOOGC-MRXNPFEDSA-N 311.816 4.584 30 20 DJED CSC1CC(N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 1621246660 WNSHSOVGNXITDQ-JAGHRAMZSA-N 322.477 4.770 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)C1 1621342583 TUPXOXRMNOVGCD-HYSWKAIVSA-N 306.812 4.602 30 20 DJED CC(C)CCC[C@H](C)N(CCC(C)C)C(=O)c1cc(C#N)c[nH]1 1630230181 JOEQESHLJRBABW-INIZCTEOSA-N 317.477 4.589 30 20 DJED Cc1cc(N[C@H](C)c2ccc(F)c3ccccc23)ncc1C#N 1639988427 HBVFXJBBDYAVAT-CYBMUJFWSA-N 305.356 4.727 30 20 DJED CC(C)c1ccccc1-n1ccnc1S[C@@H]1CC[C@H](C#N)C1 1643515898 XZJRUIDIMPOUHE-LSDHHAIUSA-N 311.454 4.780 30 20 DJED Cc1ccc(Br)cc1CSc1ccccc1C#N 1643709801 DUPARWDFPNZZRJ-UHFFFAOYSA-N 318.239 4.922 30 20 DJED COc1ccc([C@H](C)CN(CC(C)C)c2ccc(C#N)cc2)cc1 1644855936 QRNDCDZXYLUSLE-QGZVFWFLSA-N 322.452 4.833 30 20 DJED CCCCN(Cc1cccc(C#N)c1F)[C@@H]1CCC[C@H](C)C1 1654582369 GNAIEKFBZWOKKM-MAUKXSAKSA-N 302.437 4.878 30 20 DJED C=C(CNCc1nc(-c2cccs2)oc1C)c1ccccc1 1657111351 MXCXTFZZNWGTPH-UHFFFAOYSA-N 310.422 4.515 30 20 DJED Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2ccc(CC#N)cc2)o1 1657430804 CSORXPASWWDMKY-BEFAXECRSA-N 308.425 4.627 30 20 DJED CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)Nc1sccc1C#N 1663159568 NJGUVFRLUZTQJX-KGLIPLIRSA-N 319.474 4.594 30 20 DJED N#Cc1ccc(CN[C@@H]2CCC[C@H]2c2ccccc2)cc1Cl 1664435790 VTUXHSANFRGSPI-PKOBYXMFSA-N 310.828 4.638 30 20 DJED C=Cc1ccccc1NC(=O)N(CCC)Cc1ccc(C#N)cc1 1672436346 OSSPEYHPDOACCZ-UHFFFAOYSA-N 319.408 4.645 30 20 DJED Cc1ccc(C=NN[C@@H](C)c2ccc(C(C)C)cc2)c(C(=O)O)c1 1776105972 LIGJYBVCBGULQD-HNNXBMFYSA-N 324.424 4.501 30 20 DJED CC(C)Cc1ccc(C(=O)/C=C/c2ccc(C(=O)O)s2)s1 1776339763 NSLJMOFCFCAENK-ZZXKWVIFSA-N 320.435 4.602 30 20 DJED CC[C@@H](C)c1ccc(/C=C\C(=O)c2ccc(C(=O)O)cc2O)cc1 1776698687 SJGAEYYGMFHDCR-TUOYRWMMSA-N 324.376 4.500 30 20 DJED Cc1noc(C)c1CNc1cccc(Oc2ccc(C#N)cc2)c1 105396489 XJWYXOPMINKTBS-UHFFFAOYSA-N 319.364 4.568 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 107254210 KPMIDHWQCZNAFY-UHFFFAOYSA-N 320.742 4.789 30 20 DJED Cc1nc(C(C)C)sc1[C@H](C)N[C@H](C)c1ccc(C#N)cc1 154323095 FQSKIUSNQUOMJD-OLZOCXBDSA-N 313.470 4.858 30 20 DJED CC[C@H](C)Oc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)cc1 177555418 YFGUFFADJUOYGK-HOTGVXAUSA-N 324.424 4.767 30 20 DJED C[C@@H]1CC(Nc2ccc(C#N)c(Br)c2)C[C@@H](C)C1 228189169 CGDIXPZTJDOFPQ-QWRGUYRKSA-N 307.235 4.557 30 20 DJED Cc1ccc([C@@H](NCc2ccc(O[C@H](C)C#N)cc2)C2CC2)cc1 237603228 MUHFNUIATHCJQR-IIBYNOLFSA-N 320.436 4.527 30 20 DJED C[C@@H](c1cccc(Cl)c1)[S@@](=O)CCCCC(C)(C)C#N 277988919 UCRRWIXMNCXIEQ-RBZFPXEDSA-N 311.878 4.870 30 20 DJED N#Cc1cc(Cl)ccc1NCc1ccccc1OCC1CC1 303921347 YPDVSSWYOHCIDJ-UHFFFAOYSA-N 312.800 4.613 30 20 DJED Cc1[nH]nc(C(F)F)c1N=C(O)[C@@H]1CCC[C@H]2CCCC[C@H]21 329090624 JCTLURXINNFZRT-IJLUTSLNSA-N 311.376 4.850 30 20 DJED Cc1cnc([C@@H](C)/N=C(/O)Nc2ccc(C3CCC3)cc2)s1 330223338 SGMABNFIDHXCIW-GFCCVEGCSA-N 315.442 4.806 30 20 DJED C[C@H](Cc1cccc(Cl)c1)N[C@@H](CCC#N)c1ccccc1 338446090 RLDVCWSEEJZXHV-BEFAXECRSA-N 312.844 4.906 30 20 DJED Cc1cc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c(C)s1 341756053 BSXAOAOVYPSNAR-DJJJIMSYSA-N 310.466 4.965 30 20 DJED C[C@H](NCc1nccs1)c1ccc(-c2cccc(C#N)c2)cc1 367827982 SBLPWIRQMXAEDY-AWEZNQCLSA-N 319.433 4.533 30 20 DJED C=CCC(CC=C)C(=O)N1CCc2c(Cl)cc(Cl)cc2C1 409681281 SFRQWGGJAGPIKJ-UHFFFAOYSA-N 324.251 4.647 30 20 DJED N#C[C@H]1CC[C@@H](N[C@@H]2CCCSc3ccc(Cl)cc32)C1 424316742 BHMVKAYMZAFPIS-NJZAAPMLSA-N 306.862 4.549 30 20 DJED C=CCN(C(=O)c1cc(Cl)c2ccccc2n1)c1ccccc1 436862931 GRUAFLKTLRBDNH-UHFFFAOYSA-N 322.795 4.721 30 20 DJED Cc1ccc(C)c2c(C)c(C(=O)N(C)c3ccc(C#N)cc3)oc12 440052029 OMOOZGMEZLACGD-UHFFFAOYSA-N 318.376 4.506 30 20 DJED CCc1c(C)sc(NC(=O)c2cccc(Cl)c2C)c1C#N 447343857 QDDRRHUUBPTIFP-UHFFFAOYSA-N 318.829 4.705 30 20 DJED C=CCC[C@H](N[C@@H](C)c1cn[nH]c1)c1ccc(C(F)(F)F)cc1 453182838 XTLTWFXHQDUVIS-LRDDRELGSA-N 323.362 4.787 30 20 DJED Cc1c(N[C@@H]2CCCCc3cc(C#N)ccc32)cnn1CC(C)C 481988805 GWUQOHBETHNEQW-LJQANCHMSA-N 322.456 4.599 30 20 DJED C=CCCC[C@@H](C)NC(=O)Nc1cnn(CCCC)c1C(C)C 485171923 RAWZASBIHZEIQI-OAHLLOKOSA-N 320.481 4.673 30 20 DJED CC[C@H](Nc1ccc(Cl)c(C#N)n1)c1ccc(Cl)cc1 498811717 QWUPAFNVGLMYFF-ZDUSSCGKSA-N 306.196 4.823 30 20 DJED C=CCCCCCN(C)Cc1coc(-c2ccc(OC)cc2)n1 523555666 UBXZAEQHXOKWGN-UHFFFAOYSA-N 314.429 4.528 30 20 DJED Cc1sc(NC(=O)CCc2cc(Cl)cs2)c(C#N)c1C 524067389 OUMQOBDXVYZFEJ-UHFFFAOYSA-N 324.858 4.523 30 20 DJED CC(C)[C@H](CC1CCCCC1)C(=O)Nc1ccc(CC#N)cc1 524489780 TVDAIVZOKMHUEM-IBGZPJMESA-N 312.457 4.934 30 20 DJED C=CCC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 537950249 NYWZHQKGXXJJAA-HNAYVOBHSA-N 310.397 4.953 30 20 DJED C[C@@H](NCCCCCOC1CCCCC1)c1ccc(C#N)cc1 538393540 NTGGACZUDYHVMY-QGZVFWFLSA-N 314.473 4.728 30 20 DJED C=CCC(C)(C)c1noc(/C(C)=C/c2ccc(OC)c(F)c2)n1 551108939 HBFJAUKHFPRNAD-ZRDIBKRKSA-N 316.376 4.632 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@H]2NC1(c2cccc(C#N)c2)CC1 556606054 QUZHZSJTEIAZQE-HNAYVOBHSA-N 302.421 4.694 30 20 DJED N#CC[C@H](Cc1nc(-c2cccc(Cl)c2)no1)c1ccccc1 579727070 LFMSLTYVFISWLP-CQSZACIVSA-N 323.783 4.630 30 20 DJED N#CCCCCCC(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1 590884018 XBOZRILPDKPNKX-RBUKOAKNSA-N 312.457 4.551 30 20 DJED CCC[C@@H](CC1CCCCC1)C(=O)N1CCC[C@H](CC#N)C1 597911613 AFYHPCSUWKLPGS-MSOLQXFVSA-N 304.478 4.525 30 20 DJED C#Cc1cccc(N(CC)C(=O)c2csc3ccccc23)c1 728480782 LLCZUKOKXZYUKL-UHFFFAOYSA-N 305.402 4.549 30 20 DJED O=C(/C=C\c1ccc(-c2c(F)cccc2F)o1)c1cccnc1 734366065 CVISQBFHQXSLBC-VURMDHGXSA-N 311.287 4.516 30 20 DJED Cc1cccc2nc([C@H](C#N)C(=O)C[C@@H](C)C3CCCCC3)[nH]c12 735788676 KQIQTMVZLINBIG-GDBMZVCRSA-N 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N#Cc1ccc(C2CCN(CCCCC3(C#N)CCC3)CC2)cc1 933605732 BLQBKPNTXKHGER-UHFFFAOYSA-N 321.468 4.602 30 20 DJED CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)N(CCC#N)C(C)C 1136475659 MXGLHUIQZHLTBS-OHTSDLOESA-N 318.505 4.770 30 20 DJED N#Cc1ccc(C2CCN(Cc3coc4ccccc34)CC2)cc1 1140785107 NZIGCVFNIHQHHT-UHFFFAOYSA-N 316.404 4.684 30 20 DJED N#C[C@@H](Cc1ccccc1)Sc1nc2cccc(F)c2s1 1307389239 QGJUMFWZTAOJRV-GFCCVEGCSA-N 314.410 4.662 30 20 DJED CCc1ccc(C(C)(C)C(=O)O[C@@H](C)c2cccc(C#N)c2)cc1 1355925791 JXWQSNLEGLTLCC-HNNXBMFYSA-N 321.420 4.703 30 20 DJED CCC(C)(C)C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@@H](C)CC2 1436545297 CGUODVLAOXLWQX-WDEREUQCSA-N 304.459 4.680 30 20 DJED CC(C)Cc1ccc(C(=O)Nc2ccc(C#N)cc2Cl)cc1 1533459008 UNGOCLGTYRYPSY-UHFFFAOYSA-N 312.800 4.662 30 20 DJED CCN(CCc1ccc(C#N)cc1)[C@H](C)c1cc2ccccc2o1 1559499545 WUUCXMYJKJUJMF-MRXNPFEDSA-N 318.420 4.930 30 20 DJED Cc1csc(NC(=O)N2CC[C@@H](C(C)(C)C)C[C@@H]2C)c1C#N 1562766385 BPSIFDJCLPGGNW-QWHCGFSZSA-N 319.474 4.607 30 20 DJED 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CC(C)(C#N)CCCSCc1ccc(C(F)(F)F)cn1 277792317 HIBKOZVGNKWSNJ-UHFFFAOYSA-N 302.365 4.664 30 20 DJED C#Cc1cccc(N(Cc2ccccc2)C(=O)C[C@@H]2C=CCC2)c1 303167451 IFBBTBTVDQCRMR-LJQANCHMSA-N 315.416 4.557 30 20 DJED CCCCCCCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C 303856524 OHWYAXIRUHAMBK-DOTOQJQBSA-N 305.437 4.891 30 20 DJED CC[C@H](C)[C@@H](C(=O)Nc1cccc(CC#N)c1)c1ccccc1 313530592 ZKDCVFJLUBHYIO-HNAYVOBHSA-N 306.409 4.521 30 20 DJED N#Cc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1 319829801 NDNPVRMWCAEFLV-UHFFFAOYSA-N 300.361 4.963 30 20 DJED OC(=Nc1csc(-c2ccccn2)n1)[C@@H]1CCCC(F)(F)C1 328812623 NAXACYJWEFARLP-SNVBAGLBSA-N 323.368 4.619 30 20 DJED C=CCN(CC=C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H](C)CC 466071628 WMCIHAQAQUTXCH-YOEHRIQHSA-N 320.864 4.811 30 20 DJED COCCCC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 479501023 WFOGTXDPAQRFIS-UTKZUKDTSA-N 322.452 4.767 30 20 DJED C=CCCCC(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 479514663 GNPRYUKTKBKBCT-ZDUSSCGKSA-N 314.454 4.652 30 20 DJED Cc1cccc([C@@H]2CCCCN2C(=O)c2ccc(C#N)s2)c1C 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320.392 4.569 30 20 DJED CCc1c(Nc2snc(Cl)c2C#N)cnn1C(CC)CC 790808729 RNJRCTZWQJXQNC-UHFFFAOYSA-N 323.853 4.532 30 20 DJED O=C1/C(=C/c2ccc(C(F)F)cc2)CCc2cc(O)ccc21 794934394 JXHHZTCECHGLFY-NTEUORMPSA-N 300.304 4.542 30 20 DJED C=CCc1cc(/C=C2/C(=O)c3ccccc3[C@H]2C)cc(OC)c1O 809159112 IIKUMLDZHDBLNN-VBEHJTROSA-N 320.388 4.513 30 20 DJED C#C[C@@H](NCc1cc(Cl)cs1)c1ccc(Cl)cc1F 809698725 GZSBZJTXQIDQEJ-CQSZACIVSA-N 314.212 4.658 30 20 DJED O=C(/C=C\c1csc2ccccc12)c1cccc([N+](=O)[O-])c1 810195849 FYCOUVDVMCIGMB-HJWRWDBZSA-N 309.346 4.706 30 20 DJED CC(CCCc1cccnc1)=NNc1ncc(Cl)cc1Cl 834926954 YPAXFVJVXTYKHX-UHFFFAOYSA-N 323.227 4.594 30 20 DJED C#CCCCS[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 842177820 LASZXQVDZUJATR-CQSZACIVSA-N 300.427 4.561 30 20 DJED C[C@H](SCc1cc(C#N)ccn1)c1ccc(OC(F)F)cc1 901765686 HWRWHYDRYJIQJP-NSHDSACASA-N 320.364 4.549 30 20 DJED CC(=NNc1ccccc1Cl)c1ccc(OC(F)F)cc1 916262294 BIKAUQRXZJTHTR-UHFFFAOYSA-N 310.731 4.778 30 20 DJED CSc1ccc(C(C)=NNc2ccc3ccccc3n2)cc1 916286810 WSOHRYNOJXNQGR-UHFFFAOYSA-N 307.422 4.793 30 20 DJED CC(=NNc1nc(-c2ccccc2)cs1)c1ccc(F)cc1 916545667 SUQXTMOTNOVLIW-UHFFFAOYSA-N 311.385 4.785 30 20 DJED COc1ccc2ccccc2c1C=NN[C@@H](C)c1ccccc1 920386283 WBLYGXRDMLWACO-HNNXBMFYSA-N 304.393 4.533 30 20 DJED CC(=NNc1ccc(Br)c(C)c1)c1cc(C)oc1C 920478958 HFWOEXLDFBIWLV-UHFFFAOYSA-N 321.218 4.803 30 20 DJED CC(C)COc1ccccc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 1126713278 VIACXTGTMZYADS-HNNXBMFYSA-N 323.392 4.511 30 20 DJED CC(C)[C@@H](CC1CCCCC1)C(=O)N1CCc2ccc(C#N)cc21 1127697827 RUTVATBQMOZCAE-LJQANCHMSA-N 324.468 4.690 30 20 DJED CCOc1ccc(C#N)cc1NCc1ccc(F)c2ccccc12 1180739689 DYPPEEYHQUASTE-UHFFFAOYSA-N 320.367 4.861 30 20 DJED CCc1nc(C#N)cc(SCc2c(Cl)cccc2Cl)n1 1306947575 RHWXFSFENVQKTE-UHFFFAOYSA-N 324.236 4.510 30 20 DJED CC[C@H](NCc1ccc(C#N)cc1F)C(C)(C)c1ccccc1 1308282227 GKKDHKKPXQJKBO-IBGZPJMESA-N 310.416 4.543 30 20 DJED C=CCC(F)(F)c1nnc([C@@H](C)Oc2cccc(Cl)c2)o1 1330101182 STPRLELPEBLXCJ-SECBINFHSA-N 314.719 4.531 30 20 DJED Cc1c(C#N)cccc1NC(=O)[C@@H](C)c1cccc(CC(C)C)c1 1435496719 NHWVCKFWGSHUPP-INIZCTEOSA-N 320.436 4.807 30 20 DJED CC[C@@H](C)CCC(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 1456773616 FWBGFXIJYUDQGI-CQSZACIVSA-N 323.396 4.510 30 20 DJED N#CCc1ccc(COC(=O)c2ccc(C3CCCC3)cc2)cc1 1458307949 XOQKBEWOLZHFNF-UHFFFAOYSA-N 319.404 4.767 30 20 DJED CC(C)[C@H]1CC[C@H](C(=O)N(c2ccc(C#N)cc2)C2CCC2)CC1 1461770132 RYMZTUHBAANDKX-IYARVYRRSA-N 324.468 4.906 30 20 DJED CC(C)(C)C1CCC(CC(=O)Nc2cc(F)cc(C#N)c2)CC1 1462171886 XIIGZPGCOBQHHW-UHFFFAOYSA-N 316.420 4.878 30 20 DJED CCCC[C@H](CCC)NC(=O)Nc1cc(C#N)cn1C(C)(C)C 1466194912 ZAUWSTLECHTEPP-HNNXBMFYSA-N 318.465 4.595 30 20 DJED CC[C@@H](CC(C)C)C(=O)N(CC)c1ccc(C#N)c(Cl)c1 1519593446 JRLCFQUEILPJDY-ZDUSSCGKSA-N 306.837 4.637 30 20 DJED CC(C)(C#N)CC(=O)NCC1(C2CCCCC2)CCCCC1 1527544248 BLKOVOGKUUECMO-UHFFFAOYSA-N 304.478 4.573 30 20 DJED N#Cc1ccccc1Sc1ccc(NC(=O)c2ccco2)cc1 1544843421 MWHLTFNZSKWBPJ-UHFFFAOYSA-N 320.373 4.555 30 20 DJED N#Cc1ccc(CNc2nc3cccc(F)c3s2)cc1Cl 1559175095 BJQGTRRADQAXAV-UHFFFAOYSA-N 317.776 4.573 30 20 DJED C[C@H]1c2ccc(F)cc2CCN1Cc1ccccc1C(C)(C)C#N 1560119392 YKOGWQPGCDULAL-HNNXBMFYSA-N 322.427 4.746 30 20 DJED N#C[C@H]1CC[C@@H](N[C@H]2CCCC[C@H]2c2ccccc2Cl)C1 1621404853 ZCADLWNZXKBEAA-KPEUIFRASA-N 302.849 4.648 30 20 DJED CCN(Cc1ccc(Cl)cc1)c1ncc(Cl)c(C)c1C#N 1642157114 GAZLUTBBNKFEEY-UHFFFAOYSA-N 320.223 4.595 30 20 DJED N#Cc1ccccc1-c1ccc(CNC2(C3CCC3)CC2)cc1 1643661631 DWHSHKLPTQYHBD-UHFFFAOYSA-N 302.421 4.648 30 20 DJED Cc1cc(CN[C@H](c2ccccc2)C2CCCC2)ccc1C#N 1648941732 WROVWCAKXLMLGX-OAQYLSRUSA-N 304.437 4.888 30 20 DJED CCCCN(Cc1ccccc1F)c1ncc(C#N)cc1Cl 1651475795 ZEDINVVYUVSPHA-UHFFFAOYSA-N 317.795 4.552 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1CCC(=Cc2ccccc2F)CC1 1652905537 LTZPDRMWYPWPBO-INIZCTEOSA-N 320.411 4.938 30 20 DJED C[C@@H](NCc1cc(C#N)ccn1)c1ccc(Cl)c2ccccc12 1654246090 XDALVVSOXASCLK-CYBMUJFWSA-N 321.811 4.611 30 20 DJED Cc1cccc([C@@H]2CCCN2Cc2cccc(C#N)c2F)c1C 1657381444 YLKIXBMCVRKDNR-IBGZPJMESA-N 308.400 4.651 30 20 DJED CCC(CC)(CC)CNC(=O)N[C@H](CCC#N)c1ccccc1 1678914430 KVXZQQHHCRLARP-QGZVFWFLSA-N 315.461 4.547 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1cccc(CCC)c1 1776783734 GUDQENSQQGMSBY-IBGZPJMESA-N 319.489 4.933 30 20 DJED N#Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 15116991 OPBMJAAOPCFAFI-UHFFFAOYSA-N 309.108 4.566 30 20 DJED N#CC1(C(=O)Nc2ccc(Oc3ccccc3)cc2)CCCC1 26456579 VSEBBYHUTUUNDZ-UHFFFAOYSA-N 306.365 4.501 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCc1ccccc1F 66861094 MHXDWECBBRXKHP-CYBMUJFWSA-N 300.402 4.832 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 78973532 SGLCAODVSBBAEX-OLZOCXBDSA-N 316.351 4.571 30 20 DJED CCCCCCCC(=O)Nc1ccccc1SC(=O)N(C)C 110645301 WPFSWKHLEBEHGO-UHFFFAOYSA-N 322.474 4.759 30 20 DJED CC(C)(C#N)CCCSCc1csc(-c2ccccn2)n1 161613394 XMNODEIHZKBECZ-UHFFFAOYSA-N 317.483 4.768 30 20 DJED Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)C(C)(C)C#N 171176240 QREGYOWLNSTJDX-UHFFFAOYSA-N 312.800 4.804 30 20 DJED CC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(F)cc1F 174358100 UZUBHWHWMOXUAD-SGTLLEGYSA-N 300.352 4.638 30 20 DJED CCCCOc1ccc(/C=C\C(=O)c2cnn(C(C)C)c2)cc1 214915698 CNSDFLCEIRPZPU-FLIBITNWSA-N 312.413 4.539 30 20 DJED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cnc2ccsc2c1 272286837 PIJQCDSEBNQJCE-CYBMUJFWSA-N 319.433 4.508 30 20 DJED COc1cc(C(=O)/C=C/c2cc(C)ccc2F)ccc1SC 303653707 LASLJRCHSSZYSC-VMPITWQZSA-N 316.397 4.761 30 20 DJED CCc1cccc(Oc2cc(Br)c(C#N)cc2F)c1 311405771 IZTKOFDEPWUHLN-UHFFFAOYSA-N 320.161 4.815 30 20 DJED C[C@@H](C(O)=Nc1nc2c(s1)CCCCCC2)c1ccccn1 328791995 REGKHZBVINPCOT-GFCCVEGCSA-N 315.442 4.589 30 20 DJED N#Cc1cc(F)ccc1CN[C@@H](CC1CCC1)c1ccccc1 351103397 RIBIXVZGOKGAED-FQEVSTJZSA-N 308.400 4.718 30 20 DJED CCC(CC)[C@H](NCc1ccc(OCC#N)cc1)c1ccccc1 391863744 YGGUNTYEVNXVBL-NRFANRHFSA-N 322.452 4.856 30 20 DJED CCC[C@H](C#N)N(C)C(=O)c1oc2c(ccc3ccccc32)c1C 410824966 FDKXNSDRQQJOCT-OAHLLOKOSA-N 320.392 4.659 30 20 DJED COc1ccc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c(C)c1 417372309 VTTZWZGDXKXBFV-BTYIYWSLSA-N 320.436 4.604 30 20 DJED C=C(C)C(C)(C)C(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 424791285 YGPCZHCVIOUPAF-UHFFFAOYSA-N 319.395 4.573 30 20 DJED CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2C)c1C#N 429207875 QHOOECVZNZURRT-UHFFFAOYSA-N 318.829 4.705 30 20 DJED CC1(C)CCCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1C#N 434019329 YCMLXJHJSZJOFT-IBGZPJMESA-N 318.420 4.508 30 20 DJED C=CCCCC(=O)N(Cc1cc(F)ccc1F)C1CCCC1 434243140 CJWCVSNVJORIMC-UHFFFAOYSA-N 307.384 4.592 30 20 DJED C=CCCCC[C@H](C)Nc1ccc(Cl)c(C[S@](C)=O)c1 449233096 KDPXLCKGGPHVGA-RBZFPXEDSA-N 313.894 4.765 30 20 DJED C[C@H](NCC(C)(C)CCC#N)c1ccc(Oc2ccccc2)cn1 453241731 ZMEZAHKVNGIAJA-INIZCTEOSA-N 323.440 4.854 30 20 DJED C=CCC1(C(=O)N2CCc3sccc3[C@@H]2CC)CCCC1 459993101 UFERNEGHNDTCSV-HNNXBMFYSA-N 303.471 4.720 30 20 DJED N#CCCCC(=O)N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 462402627 OJIAVLYMACXSJB-IRXDYDNUSA-N 318.848 4.566 30 20 DJED C=C(C)CN(C)C(=O)c1c(F)cccc1Sc1ccccc1 464163078 RIDRBEZDNXBROY-UHFFFAOYSA-N 315.413 4.625 30 20 DJED C=CCC(CC=C)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)C 468344863 XRSJSDJIIWZVLZ-QGZVFWFLSA-N 307.384 4.547 30 20 DJED Cc1cc([C@H](NCc2ccc(C#N)c(C)c2)C2CC2)ccc1F 488167579 WGWFUDJJCCWHSD-HXUWFJFHSA-N 308.400 4.555 30 20 DJED C=CCN(CCc1ccco1)Cc1cccc(-c2cccnc2)c1 495182654 IFYRJQCOLYDYRH-UHFFFAOYSA-N 318.420 4.572 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1sc2cc(F)ccc2c1C 501660742 ZYHNLOFKGMLAES-UHFFFAOYSA-N 324.380 4.781 30 20 DJED CCCC[C@@H](C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 503318338 GAOJCVVJQLGECH-KGLIPLIRSA-N 304.459 4.846 30 20 DJED N#Cc1ccccc1CSCc1ccccc1OC(F)F 519892144 OZHMOLHAIRJVSM-UHFFFAOYSA-N 305.349 4.593 30 20 DJED N#Cc1cccc(Oc2ccc(NC(=O)c3cccs3)cc2)c1 520916312 WIOFKWFOYAZRAW-UHFFFAOYSA-N 320.373 4.664 30 20 DJED C[C@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H](C)S1 562469140 NRYGZQCNLAKJMY-IYBDPMFKSA-N 322.477 4.551 30 20 DJED COc1cc(CN[C@H](C)c2cccc3ccccc23)ccc1C#N 570322630 FGSRHVVLGCSFCC-OAHLLOKOSA-N 316.404 4.571 30 20 DJED Cc1ccc(-c2nc(CNc3ccc(F)c(C#N)c3)cs2)cc1 582743961 VOTNRHNPKSLIQX-UHFFFAOYSA-N 323.396 4.741 30 20 DJED Cc1ncc(CNc2cccc(C#Cc3cccs3)c2)s1 608015024 GHBDDAXCKXZPBO-UHFFFAOYSA-N 310.447 4.525 30 20 DJED Cc1cc2cc(CN[C@H](C)c3cccc(C#N)c3)oc2cc1C 610517197 OZIABJRJCDYDSW-OAHLLOKOSA-N 304.393 4.772 30 20 DJED C=CCC1(NC(=O)Nc2ccccc2C(C)(F)F)CCCC1 667182937 LNEOODRIHKUFRE-UHFFFAOYSA-N 308.372 4.809 30 20 DJED C=CCC1(N[C@H](C)[C@@H](C)c2ccc(Cl)cc2)CCOCC1 668551819 XRUBVDMBOJEZKU-HUUCEWRRSA-N 307.865 4.547 30 20 DJED C=CCC(CC=C)C(=O)Nc1c(-c2ccccc2)ncn1C1CC1 675153070 DRAOHONUGRMCQE-UHFFFAOYSA-N 321.424 4.592 30 20 DJED O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)CCc2sccc21 726894401 YPPRUKLLOBGHBE-JXMROGBWSA-N 319.769 4.522 30 20 DJED C#Cc1cccc(N(C(=O)[C@@H]2CCCc3ccccc32)C(C)C)c1 728246942 OAXKGBARCMYDCO-OAQYLSRUSA-N 317.432 4.529 30 20 DJED CCC/C=C/C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 731345463 WTXSAPJHFRXXIM-XBXARRHUSA-N 306.365 4.645 30 20 DJED O=C(/C=C/c1ccc(Br)c(Cl)c1)c1ccco1 754826183 GGYFGXTVKNTOML-GQCTYLIASA-N 311.562 4.592 30 20 DJED CC[C@H](/N=C\c1c(O)ccc2ccccc12)c1c(C)noc1C 756846283 HTZBDOJRZJCJHX-BCUAHEQISA-N 308.381 4.720 30 20 DJED CC(C)c1ccc2c(c1)C(=O)/C(=C/c1nc(Cl)cs1)CO2 759075763 JFYUYHLQDWLMQF-IZZDOVSWSA-N 319.813 4.579 30 20 DJED CSc1ccc(C(=O)/C=C\c2ccc(O)cc2)c(Cl)c1 765613151 HQNCNJLJZRBWFQ-WTKPLQERSA-N 304.798 4.664 30 20 DJED C=C(C)CN(C)C(=S)Nc1ccccc1Oc1ccccc1 777917922 FIRBCTRUTSNHEZ-UHFFFAOYSA-N 312.438 4.684 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2ccccc2Cl)c(Cl)c1 788361007 RJHHXAHGLQMDSI-SOFGYWHQSA-N 302.160 4.761 30 20 DJED CCCCCC[C@H](C)NC(=O)c1ccc(C(C)(C)C#N)cc1 792932820 UWERYIHMNMFKSL-HNNXBMFYSA-N 300.446 4.576 30 20 DJED CCc1ccc(N(CC)C(=O)C[C@@H](CC#N)c2ccccc2)cc1 793012194 WUQQUWKGGQORLK-LJQANCHMSA-N 320.436 4.689 30 20 DJED C=CCCCCC[C@H](C)Nc1cccc(N2CCCNC2=O)c1 793556859 ZSMJDARPIOEMEJ-INIZCTEOSA-N 315.461 4.543 30 20 DJED CC#CC(=O)Nc1ccccc1-c1ccc(-c2ccccc2)cc1 801152808 IPAZUSNZPKXGIC-UHFFFAOYSA-N 311.384 4.982 30 20 DJED C#C[C@H](NCc1ccc(SC)s1)c1ccc(Cl)cc1 811517620 XVEACCDFLXPPKT-AWEZNQCLSA-N 307.871 4.588 30 20 DJED CCCCCCCCC[S@@](=O)Cc1cnc2ccccc2n1 849224066 XWIVNBJIKAWRNQ-JOCHJYFZSA-N 318.486 4.629 30 20 DJED N#CC1(CC(=O)Nc2ccc(SC(F)F)cc2)CCCCC1 854115931 SOAWWCKJIOLRGZ-UHFFFAOYSA-N 324.396 4.804 30 20 DJED C=CC[C@@H](NCc1csc(C(F)(F)F)c1)c1ccncc1 858139056 OCKNWKMUZLFDER-CYBMUJFWSA-N 312.360 4.569 30 20 DJED C=CC(C)(C)CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 892538873 PWNVMIOGCUXBJU-LLVKDONJSA-N 318.829 4.728 30 20 DJED C=CC[C@H](c1ccccc1)c1nc(Cc2ccccc2C)no1 904647334 PIBWTEYFGFNYLC-GOSISDBHSA-N 304.393 4.677 30 20 DJED COc1ccc(O)c(C=Nc2ccc3oc(C(C)(C)C)nc3c2)c1 914703203 QYEABEFFNFQFQE-UHFFFAOYSA-N 324.380 4.590 30 20 DJED Cc1ccccc1/C=C/C(=O)c1ccc(Br)s1 916134579 QXSYSTRVJPWJTN-VOTSOKGWSA-N 307.212 4.715 30 20 DJED CC(=NNc1ccc(Cl)cc1Cl)c1ccc(C#N)cc1 916337775 BGJVLMHYSFBHEF-UHFFFAOYSA-N 304.180 4.701 30 20 DJED COc1cc(C)ccc1N=Cc1cc(Cl)cc(Cl)c1O 917558136 IBHVAYIXTGDNKZ-UHFFFAOYSA-N 310.180 4.767 30 20 DJED C/C(=C/c1c(Cl)cccc1Cl)C(=O)O[C@@H]1CC[C@H](C#N)C1 1122640827 OSPRDSUXBSAEQO-DXGKCEBASA-N 324.207 4.632 30 20 DJED COc1cc(CSc2ccc(C#N)c(C)c2)ccc1Cl 1189584978 ZOGMTUYTAODDRG-UHFFFAOYSA-N 303.814 4.821 30 20 DJED CC(C)[C@@H]1C[C@@H](OC(=O)c2ccc(CC#N)cc2)c2ccccc21 1271057701 RGAVOVAHRLTKDX-VQTJNVASSA-N 319.404 4.794 30 20 DJED Cc1nsc(N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c1C#N 1307106698 KZBFFSVCNFSYPH-TVQRCGJNSA-N 324.236 4.598 30 20 DJED N#Cc1ccc(COc2ccc(SC(F)(F)F)cc2)cc1 1307341361 DHDKFTWWZVGPJA-UHFFFAOYSA-N 309.312 4.749 30 20 DJED Cc1nc(CSCc2ccc(Cl)cc2C#N)c(C)s1 1342913482 CFQRUEFXYBFPQA-UHFFFAOYSA-N 308.859 4.718 30 20 DJED Cc1cc(NC(=O)C[C@H](CC#N)c2ccccc2)ccc1Cl 1437176709 CDUFOUPPESQWAH-HNNXBMFYSA-N 312.800 4.675 30 20 DJED N#CC1(CCN(Cc2c(F)cccc2F)C2CC2)CCCCC1 1459942257 ISRPQSPSQOKNNL-UHFFFAOYSA-N 318.411 4.793 30 20 DJED N#Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3s2)c1 1521494696 HMCVSZBVPQMBFM-UHFFFAOYSA-N 312.781 4.679 30 20 DJED CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNc1ccc(Cl)c(C#N)n1 1559088404 XEEKXXRWKKMZRO-RDBSUJKOSA-N 305.853 4.727 30 20 DJED COc1cc(C#N)ccc1CSCc1ccc(Cl)cc1 1613255557 YJSHTDZEIVQMJU-UHFFFAOYSA-N 303.814 4.654 30 20 DJED N#Cc1c(F)cccc1Oc1nc2c(F)cc(Cl)cc2s1 1639658102 KCGDQPAVGFKTEW-UHFFFAOYSA-N 322.723 4.892 30 20 DJED CCC[C@H]1[C@H](C)CCCN1Cc1cc(Cl)ccc1OCC#N 1642115485 HSZXWMCLKNHZJG-PBHICJAKSA-N 320.864 4.643 30 20 DJED CC1(C)CCc2ccccc2[C@H](NCCc2ccc(C#N)cc2)C1 1645399051 ZOBHDHREOZPTHQ-OAQYLSRUSA-N 318.464 4.794 30 20 DJED CC(C)C[C@@H](Nc1snc(Cl)c1C#N)c1ccccc1 1651311573 OFJFCMJVBSJTOJ-CYBMUJFWSA-N 305.834 4.867 30 20 DJED CCOC(=O)Nc1ccc(NC2CCC(C)(C)CC2)cc1C#N 1652176776 KILLUPYGAGUEKX-UHFFFAOYSA-N 315.417 4.507 30 20 DJED CC(C)c1cnc(SCc2cc(C#N)ccc2F)n1C1CC1 1652671217 YURLWICHJVPGHU-UHFFFAOYSA-N 315.417 4.644 30 20 DJED Cc1ccc(C)c(C(=O)/C=C\c2ccc3oc(C(=O)O)cc3c2)c1 1776133832 UXMMYOWSLIFVQY-ALCCZGGFSA-N 320.344 4.644 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1cccc(CC)c1 1776784064 WEFRLRLTXKGICR-SFHVURJKSA-N 305.462 4.542 30 20 DJED Cc1cc(Br)cc(C)c1NCCCC(C)(C)C#N 87597231 DAVUQLOLCJTGGE-UHFFFAOYSA-N 309.251 4.808 30 20 DJED COc1ccc(NCC(C)(C)CCC#N)cc1OC1CCCC1 119935075 OXKJBGZNGQOLKY-UHFFFAOYSA-N 316.445 4.758 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCc1c(F)cccc1F 182499762 AHOUFEMIBRFIAF-GFCCVEGCSA-N 318.392 4.971 30 20 DJED CC[C@@H]1OCCC[C@@H]1C(O)=Nc1cc(-c2cccnc2)ccc1C 330059592 LEZUTYLMBBCYBA-HKUYNNGSSA-N 324.424 4.850 30 20 DJED CC(C)(C#N)CCCCSCc1nc(-c2ccccc2)no1 435887001 DYTXNXANCXDUIJ-UHFFFAOYSA-N 315.442 4.690 30 20 DJED Cc1nc(C)c(CSCc2ccc(C#N)cc2Cl)s1 438873908 LDMGZJBQXYHZMQ-UHFFFAOYSA-N 308.859 4.718 30 20 DJED C=CCC1(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCC1 450074535 NREIIFJSRAIUPS-ZIAGYGMSSA-N 317.395 4.608 30 20 DJED N#C[C@@H]1CCC[C@H](Nc2cccc(OCc3cccc(F)c3)c2)C1 463300211 IVVBEEAPASQDAA-QAPCUYQASA-N 324.399 4.899 30 20 DJED Cc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c1 520154381 WFZAIMNFKXIYKP-UHFFFAOYSA-N 321.424 4.557 30 20 DJED CCc1c(C)sc(NC(=O)c2oc3ccccc3c2C)c1C#N 524330632 XCNRVQVMMXCPRY-UHFFFAOYSA-N 324.405 4.798 30 20 DJED N#CC1(CN[C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 560177203 UTTZKJKFZUOLKN-IRXDYDNUSA-N 302.849 4.650 30 20 DJED CC(/C=C/c1ccc(C#N)cn1)=C\c1ccccc1OC(F)F 564552937 SWSYLXYOFYUCNW-YXBXOZLWSA-N 312.319 4.671 30 20 DJED C=C(C)COc1cccc(NC(=O)c2cc3ccccc3o2)c1 589384315 BGEAHXRXDQLUCO-UHFFFAOYSA-N 307.349 4.640 30 20 DJED Cc1cc(F)c(C(F)(F)F)cc1NCc1cccc(C#N)c1 600852800 YMPMPTMKLYIKNC-UHFFFAOYSA-N 308.278 4.637 30 20 DJED C=CCOc1ccccc1CNC(=O)Nc1ccccc1CCC 601104494 QJVKYXDPRGBKKN-UHFFFAOYSA-N 324.424 4.526 30 20 DJED N#Cc1ccc(/C=C\c2ccc(-c3ccccc3F)s2)nc1 603894477 XMZFVQCXQRFQKL-FPLPWBNLSA-N 306.365 4.991 30 20 DJED Cc1cc(C)c(C#N)c(S[C@@H](C)c2cc(F)ccc2F)n1 604113572 PUJNMTUHMZVZPQ-NSHDSACASA-N 304.365 4.702 30 20 DJED CCOCc1cccc(N[C@H]2CCCc3cc(C#N)ccc32)c1 611475817 PZGFOCPFKPNTSW-FQEVSTJZSA-N 306.409 4.584 30 20 DJED C=C[C@@H](CC(=O)N[C@@H](C)c1ccc(F)cc1F)c1ccccc1 677504144 PMNVNOISBPAYJY-KBPBESRZSA-N 315.363 4.502 30 20 DJED Cc1ccc(-c2n[nH]cc2/C=C\C(=O)c2sccc2C)cc1 733748718 HSAHSZUHJLLJBK-FPLPWBNLSA-N 308.406 4.651 30 20 DJED C=CC[C@@H](NC(=O)CCCCc1ccc(C)cc1)c1ccncc1 734457000 DYIHZABIDKFHNW-HXUWFJFHSA-N 322.452 4.536 30 20 DJED O=C(/C=C\c1cccc(O)c1)c1ccc(SC(F)F)cc1 734980064 GXWPKXOEJZMHFA-WTKPLQERSA-N 306.333 4.603 30 20 DJED Cc1ccc(/C=C/C(=O)c2c(Cl)nc3ccccn23)c(C)c1 737445663 DNSYIQOOEGBIJI-CMDGGOBGSA-N 310.784 4.501 30 20 DJED Cc1ccsc1C(=O)/C=C/c1ccc(OCC(F)F)cc1 741842555 UQWONBUETYYFNM-QPJJXVBHSA-N 308.349 4.597 30 20 DJED COCc1cccc(/C=C\C(=O)c2ccc(F)c(Cl)c2)c1 742433243 UQKAHVPOIHRGLB-YVMONPNESA-N 304.748 4.522 30 20 DJED CC(C)c1ncc(/C=C2/C(=O)c3cccc4c3[C@@H]2CCC4)s1 763288251 GVXFBECJYNHXBY-BRYYZUPOSA-N 309.434 4.966 30 20 DJED Clc1cccc(Cl)c1NN=CCCC1CCOCC1 764907822 DSPKTKHIZJTKRA-UHFFFAOYSA-N 301.217 4.598 30 20 DJED O=C(/C=C/c1cc(Cl)ccc1Br)c1ccco1 769771611 RCFYQKJLTOMBJN-ZZXKWVIFSA-N 311.562 4.592 30 20 DJED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC[C@@H](C)C3)n2)cc1 776517677 RMGQOWPBZZHMQP-VNQPRFMTSA-N 324.449 4.731 30 20 DJED CCCCCCCCC/C=C/C(=O)N1CCC[C@H]1c1ncc[nH]1 777455306 ALENLNJDDSOHFF-RTGRKSDTSA-N 317.477 4.770 30 20 DJED Cc1c(C(=O)/C=C/c2c(F)cccc2Cl)cnn1C(C)(C)C 787187230 SFFHHJMCIJXXKW-CMDGGOBGSA-N 320.795 4.635 30 20 DJED CCc1cccnc1C(C)=NNc1cc(Cl)cc(Cl)c1 790210516 GGUIYDGLGHQIQT-UHFFFAOYSA-N 308.212 4.787 30 20 DJED CC(=NNc1cc(C)c2ccc(C)c(C)c2n1)c1csc(C)n1 812442713 HSCHOXCUQNLSMC-UHFFFAOYSA-N 324.453 4.761 30 20 DJED CCCCCCCC(=O)O[C@@H](C)C(=O)Nc1c(C)cccc1C 919222199 OBMBRCORXYKAND-INIZCTEOSA-N 319.445 4.534 30 20 DJED CCc1cccc2c(/C=C3\Cc4c(F)cccc4C3=O)c[nH]c12 921264136 PFCZWNRJAJVAAC-UKTHLTGXSA-N 305.352 4.692 30 20 DJED CCOc1ccccc1[C@H](CC(C)C)Nc1cccc(CC#N)n1 1116662022 NQSDOFZMKULTIY-SFHVURJKSA-N 323.440 4.746 30 20 DJED Cc1c(-c2nnc(-c3ccc(C#N)cc3)o2)oc2c(C)cccc12 1117243068 NULQWBVAYKEWKJ-UHFFFAOYSA-N 315.332 4.638 30 20 DJED C[C@@H](C(=O)Nc1cccc(CC#N)c1)c1ccc2ccccc2c1 1129088028 DYHQTQXQLYUWJG-OAHLLOKOSA-N 314.388 4.648 30 20 DJED N#C[C@H]1CCC[C@@H](Nc2cc(Cl)cc(Br)c2)C1 1206151991 VMQPIQQLZWHNCE-JOYOIKCWSA-N 313.626 4.597 30 20 DJED C[C@@H]1C[C@H](CC(=O)NC2(c3cccc(C#N)c3)CC2)CC(C)(C)C1 1272177160 HALYEYVSTMPNDS-NVXWUHKLSA-N 324.468 4.516 30 20 DJED N#Cc1ccccc1CSc1nc2cc(F)ccc2s1 1307394973 HQQKUCPLWOAYKB-UHFFFAOYSA-N 300.383 4.599 30 20 DJED CC[C@H](c1ccccc1)N1CC=C(c2ccc(C#N)cc2)CC1 1459883706 QJZHMGGCXIIVGN-OAQYLSRUSA-N 302.421 4.799 30 20 DJED CC1(C)CN(Cc2ccc(Cl)cc2C#N)[C@H]1c1cccs1 1460197027 NNJGEQRNFBCIHH-INIZCTEOSA-N 316.857 4.856 30 20 DJED CC(C)[C@H](C)N(C(=O)CC1(C#N)CCCCC1)c1ccccc1 1462768745 MAYOQTZSFPIANG-KRWDZBQOSA-N 312.457 4.928 30 20 DJED Cc1cc(CN(C2CC2)[C@@H]2CCCc3ccccc32)ccc1C#N 1474361952 GJQGPIDMSBVQDS-JOCHJYFZSA-N 316.448 4.909 30 20 DJED C=C(Cl)CSc1n[nH]c(-c2cc(Cl)cc(Cl)c2)n1 1559376874 VSSMJSQFBWPOLK-UHFFFAOYSA-N 320.632 4.623 30 20 DJED N#C[C@H]1CCC[C@@H](OC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C1 1584703465 RZJOXBCJBHFDBK-JCHJZTRSSA-N 311.425 4.586 30 20 DJED CCCCC1CCC(CNc2c(C#N)nnc3ccccc23)CC1 1650676924 NRMBVKQVDDUXOD-UHFFFAOYSA-N 322.456 4.910 30 20 DJED COc1cc2ccccc2cc1CNc1cccc(CC#N)c1 1651091624 RIOSYZDFQOZBSM-UHFFFAOYSA-N 302.377 4.527 30 20 DJED N#CCCN(Cc1ccc(Oc2cccc(F)c2)cc1)CC1CC1 1651831795 YUNZLFRDGSHQRY-UHFFFAOYSA-N 324.399 4.744 30 20 DJED CC[C@@H](CC#N)N[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 1654666089 VVFPROGLWOOANM-ZWKOTPCHSA-N 316.807 4.850 30 20 DJED N#Cc1cc(CSc2nc3cc(F)ccc3s2)ccc1F 1656868144 ZLVLDDWOYDIFTQ-UHFFFAOYSA-N 318.373 4.738 30 20 DJED COc1cc(CN2CCC[C@@H]2CCC2CCCC2)ccc1C#N 1657229028 JRQJPLSZAPCCHO-LJQANCHMSA-N 312.457 4.502 30 20 DJED Cc1[nH]c2ccccc2c1C1=CCN(C[C@H](C)CCC#N)CC1 1657576277 QQLPBYUTBWALPA-OAHLLOKOSA-N 307.441 4.505 30 20 DJED CC[C@H](CSc1ccccc1)NCc1ccc(C#N)c(C)c1 1657621255 MXNRYKSSIYGXBA-GOSISDBHSA-N 310.466 4.527 30 20 DJED CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC[C@@H](C)CCC#N 1659869226 SPNTXHGRYKTOHI-MAUKXSAKSA-N 306.881 4.827 30 20 DJED CC[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 56533654 ZPRPUGVXBOPCQC-AWEZNQCLSA-N 323.396 4.579 30 20 DJED COc1ccc2cc(/C=C/C(=O)c3cccc(C#N)c3)ccc2c1 59270241 WNNWSPUZPCIXCD-UXBLZVDNSA-N 313.356 4.616 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1cc2ccccc2o1 131172679 CMFHOWFAYHIGCR-MDZDMXLPSA-N 308.381 4.723 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C/c1cccc(OCCCC#N)c1)C2 170985708 VXEVQPRXWIJKPY-LDADJPATSA-N 317.388 4.500 30 20 DJED CC(C)(CCC#N)CNc1cc(F)c(OC(C)(C)C)c(F)c1 181841908 MKLGNUIZAMXIRC-UHFFFAOYSA-N 310.388 4.884 30 20 DJED CC(C)(C#N)CCCCOc1ccc(F)cc1Br 232520722 AFNKGJLUMSCSJJ-UHFFFAOYSA-N 314.198 4.687 30 20 DJED C=CCOc1ccc(CN[C@@H](c2ccc(OC)cc2)C2CC2)cc1 237362069 YEPQCUUTBRWKQI-OAQYLSRUSA-N 323.436 4.501 30 20 DJED O=C(/C=C\c1cccnc1Cl)c1cccc(-c2ccncc2)c1 255308554 KETGDDHOTNLMPG-SREVYHEPSA-N 320.779 4.693 30 20 DJED C[C@H](Nc1cccc(OCCCC#N)c1)c1ccc(C#N)c(F)c1 271911343 AOKNIENRNHDOJL-AWEZNQCLSA-N 323.371 4.553 30 20 DJED CC(C)(C#N)CCCC[S@@](=O)Cc1ccc(C(C)(C)C)cc1 278035911 XFOLBXNOHXRXEF-JOCHJYFZSA-N 319.514 4.953 30 20 DJED C#Cc1cccc(N(Cc2ccccc2)C(=O)C[C@H]2C=CCC2)c1 303167448 IFBBTBTVDQCRMR-IBGZPJMESA-N 315.416 4.557 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(N3CCCCC3)cc1)C2 303298255 OBPYAIYMMPOZOM-RGEXLXHISA-N 317.432 4.808 30 20 DJED Cc1nccc(CC/C(O)=N/C2CCC3(CCCCC3)CC2)n1 329036605 YWSOOVUUQLPXLH-UHFFFAOYSA-N 315.461 4.567 30 20 DJED Cc1nc(C2(/N=C(/O)C[C@@H]3CCC[C@@H](C)C3)CCCCC2)no1 329513910 NZMQBMOUROYJRJ-UKRRQHHQSA-N 319.449 4.710 30 20 DJED C=CCC[C@H](NCc1cccnc1)c1ccc(C(F)(F)F)cc1 342224943 OFIBZIMXBVIHCE-KRWDZBQOSA-N 320.358 4.898 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CC12CCCC2 353828302 IMVCNGZFIIEVSI-UONOGXRCSA-N 314.454 4.600 30 20 DJED C=C(C)C(C)(C)C(=O)N1Cc2ccccc2-c2ccccc2C1 424634740 ATNJLJPIRWILPJ-UHFFFAOYSA-N 305.421 4.798 30 20 DJED C[C@H](NCc1cccc(F)c1C#N)c1ccc(C(F)(F)F)cc1 428292943 DITWLSJHTYOJFH-NSHDSACASA-N 322.305 4.567 30 20 DJED N#Cc1ccc(Oc2nc3cc(Cl)cc(Cl)c3o2)cc1 433022002 SQRXYROAZNEWRV-UHFFFAOYSA-N 305.120 4.799 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2ccc(C)cc2C)CCCC1(C)C 436110932 YAIITTCDOUIGPT-KRWDZBQOSA-N 300.446 4.902 30 20 DJED CC(C)(C#N)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 461353410 NQXALGHZBRIYKL-UHFFFAOYSA-N 314.772 4.621 30 20 DJED CN(C(=O)CCCC#N)[C@@H](c1ccc(Cl)cc1)C1CCCC1 464501729 NYMRPQZQBIIXCD-GOSISDBHSA-N 318.848 4.724 30 20 DJED N#CC[C@H](CC(=O)N1CCC[C@H]1C1CCCCC1)c1ccccc1 474976128 XRFOHZSMOXLNQT-UXHICEINSA-N 324.468 4.645 30 20 DJED CC[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 476193250 DVQZLBZBXBMYNX-BTHPGYMESA-N 324.468 4.501 30 20 DJED C=CCCC1(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)CC1 476310141 ULFXOMMIESGEBC-UHFFFAOYSA-N 315.844 4.702 30 20 DJED C=C[C@H]1CCCCN1C(=O)CC(c1ccccc1)c1ccccc1 488838410 ZTBFVNBZUXNPLE-FQEVSTJZSA-N 319.448 4.776 30 20 DJED CC1(C)CCC(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 494893882 XSBGIYWZWUOKJN-OALUTQOASA-N 324.468 4.501 30 20 DJED COc1cc(C#N)ccc1CNc1cc(Cl)ccc1SC 500843514 OTFQEKJZOZJDCU-UHFFFAOYSA-N 318.829 4.554 30 20 DJED C[C@@H]1C[C@H]1c1ccc(CN(Cc2cc(C#N)cs2)C2CC2)o1 506565075 WXDWUFSLOCIDOQ-SJKOYZFVSA-N 312.438 4.501 30 20 DJED C=CCOc1ccccc1CNCc1ccc(-c2ccccc2)o1 513626648 AORNVCSYGAJDIN-UHFFFAOYSA-N 319.404 4.801 30 20 DJED Cc1c(C#N)cccc1NCc1ncc(-c2ccc(Cl)cc2)o1 532705018 RSNLUGCHJWYZOJ-UHFFFAOYSA-N 323.783 4.787 30 20 DJED C=C[C@@H](CC(=O)N[C@@H](C)c1c(F)cccc1F)c1ccccc1 535335132 FKNQMTXORSZSQC-KBPBESRZSA-N 315.363 4.502 30 20 DJED C[C@@H](N[C@@H](c1ccccc1)C1CCC1)c1ccc(C#N)c(F)c1 537406669 JPPYPGVXGILCRP-VLIAUNLRSA-N 308.400 4.889 30 20 DJED CN(c1ccccc1NCc1cccc(C#N)c1F)C1CCCC1 542224766 WABFGRUUKIHZHW-UHFFFAOYSA-N 323.415 4.688 30 20 DJED N#CCCOc1ccc(-c2nc3ccccc3s2)cc1Cl 549785080 OLLSAYWAHVFTQG-UHFFFAOYSA-N 314.797 4.909 30 20 DJED C[C@H](N[C@@H]1CCc2sc(Cl)cc21)c1ccc(C#N)cc1F 567024880 BZWWDQFZXPCUCP-LKFCYVNXSA-N 320.820 4.750 30 20 DJED CC1(C)C[C@H](N[C@H]2CCc3ccc(C#N)cc32)c2ccccc21 569514275 WMFCDNUXWDEZFQ-PMACEKPBSA-N 302.421 4.558 30 20 DJED C=CCCC(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl 588030028 ZJTYCWCZWZTLOG-GOSISDBHSA-N 317.791 4.651 30 20 DJED N#Cc1ccc(CSCc2cc(-c3ccccc3)no2)cc1 609235983 FKGPIYYCDZNRHX-UHFFFAOYSA-N 306.390 4.647 30 20 DJED Cc1ccc2[nH]c3c(c2c1)CN(c1ccc(C#N)c(Cl)c1)CC3 609495712 WDGGTUPOXYAPHW-UHFFFAOYSA-N 321.811 4.564 30 20 DJED Cc1nc(C(C)C)sc1[C@H](C)N[C@@H](C)c1cccc(C#N)c1 610829689 DYAOJPPEMQBMHT-STQMWFEESA-N 313.470 4.858 30 20 DJED N#Cc1ccc(SCc2ccc(F)cc2C#N)c(Cl)c1 611103397 HNPVFRJLODZZDN-UHFFFAOYSA-N 302.761 4.515 30 20 DJED C=CCCc1ccccc1NC(=O)c1cccc(N2CCCC2)c1 614478866 CZDYYVQTJXDVMH-UHFFFAOYSA-N 320.436 4.658 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1cc(SC)ccc1Cl 667466361 WVYOZJBIHFXCOT-LLVKDONJSA-N 310.850 4.634 30 20 DJED N#Cc1ccc(S[C@@H]2CCCCCC2=O)cc1C(F)(F)F 679842395 NEYVXGSIJLOBGB-CQSZACIVSA-N 313.344 4.571 30 20 DJED C=CCCC(=O)Nc1nc2ccc(SC(F)F)cc2s1 726496092 OXBASZPLKFQNKT-UHFFFAOYSA-N 314.382 4.516 30 20 DJED C#Cc1cccc(N(C(=S)Nc2ccc(CC)cc2)C(C)C)c1 728226696 JGAKZCGFCHZSDL-UHFFFAOYSA-N 322.477 4.842 30 20 DJED C[C@@H](NC(=O)C1(C#N)CCCCC1)c1csc2ccccc12 729960007 IDUJEGHRASRMMR-CYBMUJFWSA-N 312.438 4.553 30 20 DJED CCCC1CCC(NCc2cccc(O[C@@H](C#N)CC)c2)CC1 733800688 DAJSBNXPEQWWLU-NKELODKYSA-N 314.473 4.816 30 20 DJED CCCCCC[C@@H](CC)C(=O)N[C@H](C)c1ccc(C#N)cc1 735000153 ZUHHDALYBZTLCH-NVXWUHKLSA-N 300.446 4.732 30 20 DJED Cc1cc(NC(=O)c2ccc(C#N)s2)ccc1-c1ccccc1 762511894 UFALIQCQTPEJME-UHFFFAOYSA-N 318.401 4.848 30 20 DJED Cc1ccc(NCc2ccc(N(C)CCC#N)cc2)c(Cl)c1 767402079 XUXQUILMVWVZGW-UHFFFAOYSA-N 313.832 4.610 30 20 DJED CC(C)c1nc(C#N)c(NN=C2C[C@@H](c3ccccc3)C2(C)C)o1 768481678 FHAKLTOTVIXNQM-AWEZNQCLSA-N 322.412 4.651 30 20 DJED Fc1cc(Cl)cc(C=NOc2ccccc2C(F)(F)F)c1 776726287 MYCXHYCXHFTMHW-UHFFFAOYSA-N 317.669 4.911 30 20 DJED O=C1/C(=C/c2scnc2C2CC2)CCc2c(Cl)cccc21 782350800 DSWLCENGPTUWKO-DHZHZOJOSA-N 315.825 4.886 30 20 DJED C[C@@H](c1ccccc1)c1ccc(OC(=O)CC(C)(C)C#N)cc1 783282987 CGVYEPUGVRTEKF-HNNXBMFYSA-N 307.393 4.684 30 20 DJED CCCCCCCCC(=O)N1CC[C@H](C(F)(F)F)C1(C)C 787499684 RRAHDJLQZHFRCI-ZDUSSCGKSA-N 307.400 4.926 30 20 DJED C=CCOc1ccc(CN[C@H](C)c2ccc(N(C)CC)cc2)cc1 797005591 DIFJJTVKSZWQRH-QGZVFWFLSA-N 324.468 4.558 30 20 DJED CC(CC(C)(C)c1c[nH]c2ccccc12)=NNc1ccc(F)cn1 799480198 PQPQIYPGPCTJTL-UHFFFAOYSA-N 324.403 4.858 30 20 DJED CC[C@@H](OC(=O)CCCCCC#N)c1c(F)cccc1Cl 805896155 KZXKSYMVLXERKD-CQSZACIVSA-N 311.784 4.947 30 20 DJED C#C[C@H](NCc1ccc2occc2c1)c1ccc(Cl)cc1F 809699456 ONIUCCYIVLFPPB-KRWDZBQOSA-N 313.759 4.689 30 20 DJED Fc1cccc(CON=Cc2cccc(Cl)c2Cl)c1F 836704464 DXEVXMQKVHGVBG-UHFFFAOYSA-N 316.134 4.822 30 20 DJED CC[C@@H](/N=C/c1cc2ccccc2nc1O)c1ccc(OC)cc1 912778893 AFRHRWJBPCPELJ-KOMLCTQHSA-N 320.392 4.519 30 20 DJED C=CCOc1cccc(/C=C\C(=O)c2cc3ccccc3o2)c1 916138389 IOAQOAOIYYUSFS-KHPPLWFESA-N 304.345 4.894 30 20 DJED Cc1ccc([C@H]2CCC[C@@H]2OC(=O)c2cccc(CC#N)c2)cc1 1128223416 VTYOVLQLGCWIRF-UXHICEINSA-N 319.404 4.554 30 20 DJED CC[C@H]1CN(CCCC(C)(C)C#N)c2cccc(Cl)c2O1 1193345252 AWVUBKJHWNYDEL-ZDUSSCGKSA-N 306.837 4.647 30 20 DJED CC1(C#N)CCN(Cc2cccc(Oc3ccc(F)cc3)c2)CC1 1233210590 DLMUBCCDRZFBTJ-UHFFFAOYSA-N 324.399 4.744 30 20 DJED CCCCN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1CCCCC1 1274158120 QXOUMLCAMNYMNK-VQTJNVASSA-N 324.468 4.623 30 20 DJED CC[C@H](C)c1nnc(-c2cccc(Nc3ccc(C#N)cc3)c2)o1 1324080605 AFHVFSLDLQSFLT-ZDUSSCGKSA-N 318.380 4.865 30 20 DJED C/C(=C\c1ccccc1Cl)c1nnc(-c2ccc(C#N)cc2)o1 1327885245 PNRMYLRUFNRCMB-ZRDIBKRKSA-N 321.767 4.822 30 20 DJED COc1ccc([C@@H](CC(C)C)Nc2ccc(OCC#N)cc2)cc1 1345942921 CIWHSQKIMYYFEZ-HXUWFJFHSA-N 324.424 4.797 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCC[C@H]1CC 1350098098 PZMONZMZHSGIDQ-MOPGFXCFSA-N 312.457 4.513 30 20 DJED CC[C@H](CC(C)C)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 1354306086 SJCHGBGDUXTAPE-LJQANCHMSA-N 314.473 4.615 30 20 DJED CC(C)CCOc1ccc(CNc2cc(F)cc(C#N)c2)cc1 1461691636 IJYAYOAQLQREFA-UHFFFAOYSA-N 312.388 4.734 30 20 DJED Cc1nc(C#N)cc(S[C@@H](C)c2ccc(Cl)c(Cl)c2)n1 1472705373 AFFASMZLSVJURQ-QMMMGPOBSA-N 324.236 4.817 30 20 DJED COc1cccc([C@H](C)SCc2ccc(OCC#N)cc2)c1 1473003535 GZLJSNXFPVLCRD-AWEZNQCLSA-N 313.422 4.592 30 20 DJED CCC[C@@H](CC)SCC[C@](C#N)(C(C)=O)c1ccccc1 1473026016 NSHNIWXUTOJCMK-MSOLQXFVSA-N 303.471 4.739 30 20 DJED Cc1cccc(C)c1CN(Cc1ccc(F)c(C#N)c1)CC(C)C 1473576663 AULGKYLPNZVNLJ-UHFFFAOYSA-N 324.443 4.972 30 20 DJED C[C@H]1CCc2sc(NC(=O)c3ccsc3)c(C#N)c2[C@@H]1C 1527166692 YXEHQNYAIJWMGU-VHSXEESVSA-N 316.451 4.619 30 20 DJED Cc1c(C#N)cccc1C(=O)N[C@H](CC1CCC1)c1ccccc1 1527343180 DINVGBLPCGBJMY-HXUWFJFHSA-N 318.420 4.528 30 20 DJED CCC(C)(C)c1ccc(C(=O)Nc2ccc(F)c(C#N)c2)cc1 1529684977 OXFMLILBKLFIFD-UHFFFAOYSA-N 310.372 4.637 30 20 DJED C[C@H](Nc1ncc(C#N)cc1F)c1ccc(F)c2ccccc12 1612446341 RFJKNOGGLLZNJZ-NSHDSACASA-N 309.319 4.558 30 20 DJED N#CC1(CCSc2nc3ncccc3s2)CCCCC1 1653012726 YUPIXAATJPDSKI-UHFFFAOYSA-N 303.456 4.648 30 20 DJED CC(=NNc1cccc(C(=O)O)c1C)c1c(C)oc2ccccc12 1776087911 DZSVYDQWLUTTCW-UHFFFAOYSA-N 322.364 4.584 30 20 DJED CSc1ccc(C(=O)/C=C/c2ccccc2OC(F)F)cc1 57435427 JRHCSTRMMFBHBM-DHZHZOJOSA-N 320.360 4.906 30 20 DJED C=C[C@@H](CC(=O)Nc1cccc(COCC)c1)c1ccccc1 126032983 SFIPBCHCWBROKT-KRWDZBQOSA-N 309.409 4.522 30 20 DJED CCCCCCCC(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 145555149 VXJRACCTQDDAGK-AZUAARDMSA-N 317.473 4.631 30 20 DJED CC[C@H](CC#N)NC(=O)Nc1c(C(C)C)cccc1C(C)C 155424128 OUSISKPBEBLIRM-CQSZACIVSA-N 301.434 4.747 30 20 DJED Cc1nnc(SCc2c(Cl)cccc2Cl)c(C#N)c1C 195533320 KZQOKZJWMQOCEW-UHFFFAOYSA-N 324.236 4.564 30 20 DJED C[C@@H](NCc1cccc(C#N)c1)c1nc(-c2ccccc2)cs1 237517103 GLQAROIVCJWSSG-CQSZACIVSA-N 319.433 4.533 30 20 DJED C[C@H](N[C@H](C)c1ccccc1OC(F)F)c1cccc(C#N)c1 269002511 VFOGIPGSLUMNBJ-QWHCGFSZSA-N 316.351 4.571 30 20 DJED N#Cc1cccc(Cl)c1N[C@@H]1CCOC2(CCCCC2)C1 301711712 VHUOFQCIOYHIRK-CQSZACIVSA-N 304.821 4.505 30 20 DJED Cc1cnc([C@H](C)/N=C(/O)Nc2ccc(C3CCC3)cc2)s1 330223339 SGMABNFIDHXCIW-LBPRGKRZSA-N 315.442 4.806 30 20 DJED C[C@@H]1C[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)c2ccccc21 341681612 HBDZVKWAWLOUHF-PUCZYUMASA-N 302.421 4.774 30 20 DJED N#C[C@H]1CC[C@@H](N[C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 424325471 KZHMCLHLMJVROS-SDNTUTLCSA-N 322.374 4.623 30 20 DJED CC(C)C[C@H]1CCCCN1C(=O)Nc1ccc(C#N)cc1Cl 426131531 PVJDYSYUVXGKTP-CQSZACIVSA-N 319.836 4.644 30 20 DJED N#C[C@H]1CC[C@H](Sc2nc3c(n2-c2ccccc2)CCCC3)C1 430126374 VNSZGVGQMZGPJY-HOCLYGCPSA-N 323.465 4.535 30 20 DJED Cc1ccc([C@@H]2CCC[C@H]2N(C)Cc2cccc(C#N)c2)cc1 441329166 CANJHFKJQGAVSH-LEWJYISDSA-N 304.437 4.635 30 20 DJED C[C@H](c1cccc(C#N)c1)N1CCC[C@@H]1c1cccc(N(C)C)c1 442686022 YHVZCACKOOQYQN-IIBYNOLFSA-N 319.452 4.522 30 20 DJED C=CCOc1ccc(OCc2coc(-c3ccc(C)cc3)n2)cc1 462670162 OTAJDQKYNKWHBY-UHFFFAOYSA-N 321.376 4.794 30 20 DJED Cc1cccc(C)c1Oc1ccccc1NC(=O)CCCC#N 463575203 FVYACHAHVYUQGM-UHFFFAOYSA-N 308.381 4.728 30 20 DJED N#CC[C@@H](CC(=O)N(CC1CCCCC1)C1CC1)c1ccccc1 475014648 IPZTUKWKCOBDQD-IBGZPJMESA-N 324.468 4.645 30 20 DJED C=C(C)CN(C)C(=O)c1cc2sc3ccccc3c2s1 479340678 HYDUWYAOVFPKKX-UHFFFAOYSA-N 301.436 4.764 30 20 DJED COc1cc(Cl)c(Cl)cc1NCc1ccc(CC#N)cc1 479459854 XPRLLFIXBYLSEX-UHFFFAOYSA-N 321.207 4.680 30 20 DJED C=CCSc1ccccc1C(=O)Nc1cccc2ncccc12 485764463 APNNSAQTYQUAFV-UHFFFAOYSA-N 320.417 4.765 30 20 DJED CC[C@@](C)(C#N)c1nc(-c2ccc(-c3ccccc3)cc2)no1 504259434 IKTBPJAUOSKFKH-IBGZPJMESA-N 303.365 4.595 30 20 DJED CCN(C(=O)[C@@H](C)CC1CCCC1)[C@@H](C)c1ccc(C#N)cc1 510304626 CYZVGILLWCOMIB-HOTGVXAUSA-N 312.457 4.684 30 20 DJED C[C@H](SCCCCC1CCOCC1)c1cccc(C#N)c1 512376702 BTOPZAHPGALSQT-HNNXBMFYSA-N 303.471 4.949 30 20 DJED C=CCCO[C@@H](C)C(=O)Nc1ccc(C(C)C)cc1C(C)C 519069987 DDHAKINSXFFPAJ-HNNXBMFYSA-N 303.446 4.853 30 20 DJED C[C@@H](SCCOc1cccc(F)c1)c1ccc(C#N)cc1 522841423 VAHHOLCLCOWHEU-CYBMUJFWSA-N 301.386 4.571 30 20 DJED CC(C)n1c(-c2cccc(OCCCC#N)c2)nc2ccccc21 524217698 GJBHNUWGCRZOPW-UHFFFAOYSA-N 319.408 4.967 30 20 DJED Cc1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1OCC(F)F 525757132 GUDLMHMWWWQYNF-CYBMUJFWSA-N 316.351 4.684 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccc(COc2ccccc2)cc1 539138267 KROHQWBMXWKULP-UHFFFAOYSA-N 324.424 4.696 30 20 DJED C=CCC(C)(C)c1noc([C@@H]2C[C@H]2c2cccc(Cl)c2)n1 551140909 VYYDXHICVBKPRR-UONOGXRCSA-N 302.805 4.848 30 20 DJED CC[C@H](C)Sc1ccc(NC[C@@H](C#N)CCC#N)c(C)c1 576817097 YCNYSZDUQJQTBM-LSDHHAIUSA-N 301.459 4.741 30 20 DJED CCC(CC)[C@@H]1C[C@@H](N[C@@H](CC)c2ccc(C#N)cc2)CCO1 583243394 UAQDELWMRCMJEH-UFYCRDLUSA-N 314.473 4.583 30 20 DJED CC(C)(C)c1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1Cl 584870137 GLTXSQXYYHNZEN-CYBMUJFWSA-N 312.800 4.523 30 20 DJED Cc1ccccc1-c1ccccc1CN1CCC[C@H](CC#N)C1 597178198 WHJSCYOQMKPDGL-GOSISDBHSA-N 304.437 4.788 30 20 DJED N#CCC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 611394328 CQSJSFZQJZLKJV-LEWJYISDSA-N 315.420 4.570 30 20 DJED CCOc1c(Cl)cc(/C=C/C(=O)C2CCCCC2)cc1OC 747003233 FAZFDIUSECODET-MDZDMXLPSA-N 322.832 4.910 30 20 DJED CC(C)c1nc(C(=O)/C=C/c2nc(-c3ccccc3)cs2)co1 752884312 FOQQDTRGPIFVLB-CMDGGOBGSA-N 324.405 4.818 30 20 DJED C#CC[C@@H](N[C@H](C)c1ccc2ccccc2c1O)c1ccccc1 756774918 FCCMLGBMAJRUAB-IIBYNOLFSA-N 315.416 4.961 30 20 DJED CC(=O)Nc1cccc(C(=O)/C=C\c2ccc(C)c(Cl)c2)c1 766484383 OECUKBGSFAQXNO-HJWRWDBZSA-N 313.784 4.503 30 20 DJED CC(C)(C#N)CCCCOC(=O)CCc1ccccc1Cl 768395998 KDLYTCDFGHBAAP-UHFFFAOYSA-N 307.821 4.536 30 20 DJED C#CCCCCN[C@@H](C)c1csc(-c2csc(C)n2)c1 773038804 CISAZBYGBCFGDX-LBPRGKRZSA-N 304.484 4.634 30 20 DJED N#Cc1ccc(SCc2ccc3c(c2)COC3)c(Cl)c1 777932666 JSRLZTWKAJNJCG-UHFFFAOYSA-N 301.798 4.534 30 20 DJED CCC(=NNc1nccnc1Cl)c1cccc2ccccc12 780228268 ZTCQIFLTMUTVDU-UHFFFAOYSA-N 310.788 4.509 30 20 DJED COCc1cccc(/C=C/C(=O)c2c(F)cccc2Cl)c1 809159651 TXSPPSPRKZICTF-CMDGGOBGSA-N 304.748 4.522 30 20 DJED C#C[C@H](NCc1ncc(C(C)C)s1)c1ccc(Cl)cc1F 809699375 NSSPHUMMQPIJDY-AWEZNQCLSA-N 322.836 4.523 30 20 DJED COc1cccc2c1C/C(=C\c1cscc1C(F)(F)F)C2=O 811694538 WRJYQEQDVVUGDB-WEVVVXLNSA-N 324.323 4.598 30 20 DJED Cc1cnc(/C=C/C(=O)c2ccc(OC(C)(C)C)cc2)s1 834434872 VVVGHNXXCCRXCG-MDZDMXLPSA-N 301.411 4.525 30 20 DJED Cc1c(-c2nc(-c3ccccc3)no2)sc2ccc(C#N)cc12 904239422 QFTCEMZEUMFZHK-UHFFFAOYSA-N 317.373 4.798 30 20 DJED CC(C)(C)CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915086941 NZVTZQQNAFYLHN-SFHVURJKSA-N 306.409 4.717 30 20 DJED N#CC[C@H](C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 1124169540 PYLKWUNIDYJJGC-ZDUSSCGKSA-N 319.191 4.629 30 20 DJED CCCN(C(=O)c1cccc(C#N)c1C)[C@H](CC)c1ccccc1 1124942171 KAFCEIXESOLQHF-HXUWFJFHSA-N 320.436 4.870 30 20 DJED N#Cc1cccc(Br)c1N[C@@H]1CC[C@@H]2CCC[C@H]2C1 1162510719 RQKAUAWGNVNGPN-SGMGOOAPSA-N 319.246 4.701 30 20 DJED CC[C@@H](CNc1cccc(F)c1C#N)Oc1ccccc1Cl 1162693012 NDVCXALWJMCOAZ-LBPRGKRZSA-N 318.779 4.620 30 20 DJED N#Cc1ccc(Cl)cc1OCCc1ccc2ccccc2c1 1165842664 XIDJPMQNXMSQOO-UHFFFAOYSA-N 307.780 4.986 30 20 DJED CCc1ccc([C@@H]2CCCN(Cc3ccc(C#N)s3)C2)cc1 1170038456 FGSDOLUBQCZRGJ-QGZVFWFLSA-N 310.466 4.562 30 20 DJED C[C@H](Sc1ncc(-c2ccccc2)n1C)c1cccc(C#N)c1 1307272112 IXJRLMGNWZTWNT-AWEZNQCLSA-N 319.433 4.812 30 20 DJED C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1ccc(Cl)cc1C#N 1307809135 BYTZSRAYMCZYNU-XJKSGUPXSA-N 304.865 4.858 30 20 DJED Cc1cccc(C2(C(=O)Nc3ccc(C#N)cc3)CCCCC2)c1 1352714611 NVDPPVMUSSSUBZ-UHFFFAOYSA-N 318.420 4.707 30 20 DJED C[C@@H](N(C)Cc1ccc(-c2ccccc2C#N)cc1)C1(C)CC1 1459625385 DNDIUCVAYYASRD-MRXNPFEDSA-N 304.437 4.846 30 20 DJED C[C@H]1CCC[C@@H](OCc2cccc(Nc3ncccc3C#N)c2)C1 1472675273 SVVZDTSLRCXIQM-HNAYVOBHSA-N 321.424 4.792 30 20 DJED CCC(CC)(CN[C@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1 1474640885 QFHDDCVYFXWPPD-QAPCUYQASA-N 302.437 4.555 30 20 DJED CC(C)c1ccc2c(c1)[C@@H](NC(=O)C1(C#N)CCCCC1)CCC2 1584112183 YHJVJLUOTARRCP-IBGZPJMESA-N 324.468 4.778 30 20 DJED CCC(CC)CN(CCC#N)c1cc(C(C)C)nc(C(C)C)n1 1642528008 HUXKBTWARTZQMH-UHFFFAOYSA-N 316.493 4.880 30 20 DJED CC1(C)CN(c2c(C#N)cccc2C#N)c2cccc(Cl)c21 1650798890 SYOPQRVFAKWYCX-UHFFFAOYSA-N 307.784 4.513 30 20 DJED C[C@@H](Nc1nccs1)c1ccc(-c2cccc(C#N)c2)cc1 1650959715 AXZXAJYFDLRTQU-CYBMUJFWSA-N 305.406 4.855 30 20 DJED CC(C)C[C@@H]1CCCCN1c1ccc(C#N)c(Br)c1 1651627663 PNPRXAOVWHAXFF-AWEZNQCLSA-N 321.262 4.726 30 20 DJED CC[C@H](C)[C@@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N 1651727325 KLWSPLOZVQGICU-WCBMZHEXSA-N 302.365 4.807 30 20 DJED COc1ccc(CSCc2cc(F)ccc2C#N)cc1Cl 1651969068 PDUHEAHKEJRMFN-UHFFFAOYSA-N 321.804 4.793 30 20 DJED N#CCc1ccc(CSc2nc3cccc(F)c3s2)cc1 1652171563 ZUNPEHIVJAEYCK-UHFFFAOYSA-N 314.410 4.794 30 20 DJED C[C@H]1CSc2ccccc2N1Cc1ccccc1C(C)(C)C#N 1652776432 AIBSVBMIPYMUDG-HNNXBMFYSA-N 322.477 4.989 30 20 DJED Cc1cccc(C2=CCN([C@@H](C)c3cccc(C#N)c3)CC2)c1 1657937444 XXGSHSSKJYDRKT-KRWDZBQOSA-N 302.421 4.717 30 20 DJED CC1(C)CC(CNC(=O)Nc2ccc(C#N)cc2)CC(C)(C)C1 1666342442 DRTSYLVRDROPRN-UHFFFAOYSA-N 313.445 4.532 30 20 DJED CC(C)c1ccc(NN=Cc2ccc(C(=O)O)cc2Cl)cc1 1776060413 UFRWPPUUQJNKFG-UHFFFAOYSA-N 316.788 4.608 30 20 DJED CC(=NNc1cccc(C(=O)O)c1C)c1coc2c(C)cccc12 1776089357 OJKJJYGRRAMBRH-UHFFFAOYSA-N 322.364 4.584 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NC[C@@H]1C[C@H]1c1ccccc1 1776783389 XJQDSCHUWIDTMC-FHWLQOOXSA-N 317.473 4.584 30 20 DJED CCOc1ccc([C@@H](C)N[C@H](CCC#N)c2ccccc2)cc1 90665207 TXUVHGSUKQTJFB-OXQOHEQNSA-N 308.425 4.781 30 20 DJED CCCCCCCC(=O)Nc1nnc(-c2ccsc2)s1 105366416 KPWZLMHLMGPYRE-UHFFFAOYSA-N 309.460 4.566 30 20 DJED C[C@H](Nc1cccc(OCCCC#N)c1)c1cc(F)cc(F)c1 120866449 MRRNASRSLVZITJ-ZDUSSCGKSA-N 316.351 4.820 30 20 DJED Cc1ccccc1-c1noc([C@@H](C)SCCCCC#N)n1 161958672 QXQBJKLDXCMWKT-CYBMUJFWSA-N 301.415 4.533 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCc1cccc(C#N)c1 178391819 HWUWLAQVOIXOTQ-CQSZACIVSA-N 307.422 4.565 30 20 DJED Cc1cccc([C@@H](C)N[C@H](C)c2ccc(OCC#N)cc2)c1C 180543283 WVEZOFWVYXKXPV-IAGOWNOFSA-N 308.425 4.618 30 20 DJED C[C@@H](NCCCC(C)(C)C#N)c1ccc(OCC2CC2)c(F)c1 181573866 STQHBVJJDNIEGE-CQSZACIVSA-N 318.436 4.595 30 20 DJED C[C@H](c1cccc(Cl)c1)N(C)Cc1ccc(F)c(C#N)c1 229748844 OIPIEXSPRLSVMR-GFCCVEGCSA-N 302.780 4.544 30 20 DJED CC(C)(CCC#N)CNCCCc1ccc(Cl)cc1Cl 236817885 DPJZPBSEXXBJPV-UHFFFAOYSA-N 313.272 4.846 30 20 DJED CCOc1ccc(C=NNc2cccc3ccccc23)cc1OC 250513997 LUYKVUUWUFCBPX-UHFFFAOYSA-N 320.392 4.693 30 20 DJED Fc1ccccc1C=NOCc1csc(-c2cccs2)n1 254929514 NLWICIJGBOKCCD-UHFFFAOYSA-N 318.398 4.561 30 20 DJED CCC[C@H](C)N(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 264575147 WKWSAUDDWCGVNH-KBPBESRZSA-N 319.474 4.591 30 20 DJED Cc1cc(C)cc(C(=O)/C=C/C=C/c2ccccc2[N+](=O)[O-])c1 303304517 NGNZJISRDJNQIK-GZFKCFCKSA-N 307.349 4.664 30 20 DJED CC[C@@H]1CCCC[C@H]1/C(O)=N/[C@@H]1CCC(O)=N[C@H]1C(C)(C)C 329284435 OLMSMOAVPXRTOQ-IXYNUQLISA-N 308.466 4.693 30 20 DJED O=C1CCC(C(O)=Nc2ncc(C3CCCCC3)s2)CC1 329432004 HWJXNXQTPSFKDQ-UHFFFAOYSA-N 306.431 4.538 30 20 DJED C=CC[C@H](CC)NC(=O)Cc1cc2c(ccc3ccccc32)o1 410136063 UFJKUXSKMYNUPD-HNNXBMFYSA-N 307.393 4.599 30 20 DJED C=CCC(C)(C)c1nc(Cc2cccc(C(F)(F)F)c2)no1 426339592 MCOVLYQINCOVEA-UHFFFAOYSA-N 310.319 4.533 30 20 DJED C=CCCC[C@H](C)NC(=O)c1c[nH]cc1-c1ccc(C)s1 428021659 OIXUSELGTOLWDZ-LBPRGKRZSA-N 302.443 4.526 30 20 DJED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CCCC(C)(C)[C@H]1C#N 434018782 SFDLRWUVLRTMMC-JFIYKMOQSA-N 324.468 4.517 30 20 DJED C=CC[C@@H](C(=O)N[C@H]1C[C@H](c2ccccc2F)C1)c1ccccc1 437401643 ANHFKMGHKWMUSL-ZHALLVOQSA-N 323.411 4.548 30 20 DJED CCc1cc(C#N)c(NC(=O)CC[C@@H](C)c2ccccc2)s1 440791131 HIHBMFXWPTYSEJ-CYBMUJFWSA-N 312.438 4.705 30 20 DJED N#C[C@H]1CCC[C@@H](NC2CCC(c3ccc(F)cc3)CC2)C1 446758133 GDSGPJFXGIVWEC-MTYUVTTFSA-N 300.421 4.524 30 20 DJED CC(C)(C#N)c1ccccc1CNc1ccc(CC#N)cc1Cl 453131337 PDYIVQIFQHJVTB-UHFFFAOYSA-N 323.827 4.819 30 20 DJED CC(C)c1cnc(SCc2ccc(F)c(C#N)c2)n1C(C)C 468650223 XRKVAEXWSOEUCD-UHFFFAOYSA-N 317.433 4.890 30 20 DJED C[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 471281095 AWKRFZPXWHPFSM-JTQLQIEISA-N 319.191 4.607 30 20 DJED C=CCCC1(C(=O)N2CC[C@@H](c3ccccc3)[C@H](CC)C2)CC1 476221010 RMMSKIDJZIWAGP-IEBWSBKVSA-N 311.469 4.775 30 20 DJED C=CCC(CC=C)C(=O)N1CC[C@H](C(F)(F)F)c2ccccc21 491960304 QPDYPKIXEKSGRX-HNNXBMFYSA-N 323.358 4.838 30 20 DJED CCN(C(=O)C[C@@H]1CCC[C@@H](C)C1)[C@@H](C)c1ccc(C#N)cc1 504075468 YTLOHWZMVORTJR-SOLBZPMBSA-N 312.457 4.684 30 20 DJED CCN(C(=O)CC1(C)CCCCC1)[C@H](C)c1ccc(C#N)cc1 509859989 MSGWNTFBZHFXFA-MRXNPFEDSA-N 312.457 4.828 30 20 DJED CC[C@@H](C)CCC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 511728798 IULRPBCFTZSAJM-YGRLFVJLSA-N 313.228 4.501 30 20 DJED N#CCCC1CCN(C(=O)c2sccc2-c2ccccc2)CC1 516183948 DDCNUUZYQQSZOS-UHFFFAOYSA-N 324.449 4.571 30 20 DJED N#Cc1ccc(CNC2(c3c(Cl)cccc3Cl)CC2)cc1 531848878 SFUYQASBZHZDOB-UHFFFAOYSA-N 317.219 4.644 30 20 DJED Cc1cccc(NCc2cccc(OCCCC#N)c2)c1Cl 536608160 AVJSKDBIQSYIPL-UHFFFAOYSA-N 314.816 4.943 30 20 DJED Cc1sc(NC(=O)CC2CC(c3ccccc3)C2)c(C#N)c1C 537300784 HFSYDTVNQOKCEK-UHFFFAOYSA-N 324.449 4.759 30 20 DJED C=C(C)CN[C@@H](C)c1ccc(OCc2ccccc2)c(OC)c1 540352141 LVOXIQJLCFBFGC-INIZCTEOSA-N 311.425 4.501 30 20 DJED C=CCCc1ccccc1NC(=O)C1CCC(OC(F)F)CC1 552251692 INCGEBRMDULTDM-UHFFFAOYSA-N 323.383 4.542 30 20 DJED C[C@H](CCSc1ccccc1)N[C@H](C)c1ccc(C#N)cc1 554849390 YUZCPVFQPNXXPB-HZPDHXFCSA-N 310.466 4.780 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NCc1cc2ccccc2s1 559879203 ZQMAXLDNJUDCIN-LJQANCHMSA-N 318.445 4.940 30 20 DJED CC(C)(CCC#N)CN1CC[C@@](F)(c2cccc(Cl)c2)C1 577590439 URLLREWBLYLNGG-KRWDZBQOSA-N 308.828 4.540 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccc2nc(C(C)C)sc2c1 591503971 FHUWZFYWPHJHNO-UHFFFAOYSA-N 317.458 4.850 30 20 DJED COc1ccc(Cl)cc1[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 610830071 BZNSRSUIDFXOKW-QWHCGFSZSA-N 314.816 4.632 30 20 DJED Cc1cccc2c1[C@H](C)C[C@H]2N[C@@H]1CCc2cc(C#N)ccc21 618807396 UIYQGNXONQZOBW-JSNMRZPZSA-N 302.421 4.692 30 20 DJED CC(=NNc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1O 727779462 DZGGAEPCTAUFGS-UHFFFAOYSA-N 313.159 4.674 30 20 DJED N#Cc1cccc(/C=C/C(=O)c2ccc(SC(F)F)cc2)c1 734981370 QIBSHJHBYDUELS-RUDMXATFSA-N 315.344 4.769 30 20 DJED C=C(Cl)CNC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 736398073 UIQGKISMCLULJQ-INIZCTEOSA-N 320.864 4.583 30 20 DJED Cc1ccc(NN=Cc2ccc(Br)cc2Cl)cc1 743418196 WRXQFTSYBAPDBN-UHFFFAOYSA-N 323.621 4.857 30 20 DJED Oc1ccc2ccccc2c1/C=N/Cc1cccc2cccnc12 745012141 GSPYVNHFIGLRGP-HYARGMPZSA-N 312.372 4.713 30 20 DJED N#Cc1ccccc1/C=C\C(=O)N1CCC[C@@H]1CC1CCCCC1 747192054 VUIDOWRMVJVNEZ-GHYICZDASA-N 322.452 4.533 30 20 DJED Cc1ccc(-c2nc(/C=C\C(=O)c3ccc(F)cc3)co2)cc1 748440171 HCOIYPOBCFKVEF-KHPPLWFESA-N 307.324 4.685 30 20 DJED C=CC[C@@H](NC(=O)CCC(C)(C)c1ccccc1)c1ccncc1 754037491 ZYXCCNMUCGEYOU-LJQANCHMSA-N 322.452 4.573 30 20 DJED CCCCn1nc(C)c(C=NNc2cc(C)ccc2F)c1Cl 759667918 ZFVPOKMDOPZLJX-UHFFFAOYSA-N 322.815 4.539 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c(F)c1 772803779 URCNNMRPXARPFW-ZZXKWVIFSA-N 320.150 4.900 30 20 DJED Cc1ccc(C(=O)/C=C\c2cc(C)c(OC(F)F)c(C)c2)o1 797199757 ZCIMNLVLNDFLMN-WAYWQWQTSA-N 306.308 4.702 30 20 DJED CC(C)Oc1cccc([C@@H](C)Nc2nc(Cl)c(C#N)s2)c1 804351872 KTULECMJQNGBBM-SNVBAGLBSA-N 321.833 4.628 30 20 DJED C=CCC(C)(C)c1noc(-c2nc(-c3cccs3)oc2C)n1 815706631 QUDNWDILVKGYAP-UHFFFAOYSA-N 315.398 4.615 30 20 DJED Cc1ccc([C@H](C)/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)s1 920175237 UDWZYZRYIZHMHU-UVSFYCKTSA-N 324.789 4.504 30 20 DJED Cc1ccccc1C(=O)/C=C/c1ccc(OCC(F)(F)F)cc1 921261131 IZYWSHDBZBZFOL-DHZHZOJOSA-N 320.310 4.832 30 20 DJED CSc1ccc([C@H](C)OC(=O)c2ccc(C)c(C#N)c2)cc1 1128276378 KMNLKFVJVLVJMX-ZDUSSCGKSA-N 311.406 4.507 30 20 DJED CCC[C@H](Nc1cncc(C#N)n1)c1ccc(Cl)c(Cl)c1 1185461352 YHHUJIJPQMJINU-AWEZNQCLSA-N 321.211 4.608 30 20 DJED CCCC[C@@](C)(F)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 1344507082 MKUYTLKRFCNPLH-MEDUHNTESA-N 310.438 4.535 30 20 DJED CC(C)[C@H]1CC[C@H](C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 1355100138 VFHCGAVCAWHHLV-WKILWMFISA-N 315.461 4.516 30 20 DJED CCC1(CC)CN(C(=O)CC2(C#N)CCCCC2)c2ccccc21 1435631575 VHYMZTATHJLMTO-UHFFFAOYSA-N 324.468 4.955 30 20 DJED Cc1ccc2ncc(C#N)c(OCc3c(C)cccc3C)c2c1 1459098094 DFCZORGSXOHXKP-UHFFFAOYSA-N 302.377 4.611 30 20 DJED C[C@H]1C[C@H](CC(=O)N2CCCc3cc(C#N)ccc32)CC(C)(C)C1 1460301669 HQHVSFGKXLKYNP-DOTOQJQBSA-N 324.468 4.690 30 20 DJED Cc1cccc(C2=CCN(c3cccc(F)c3C#N)CC2)c1C 1472898997 LHLMLWMPBJNDDN-UHFFFAOYSA-N 306.384 4.608 30 20 DJED N#Cc1cc(F)cc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 1531985748 YQJAHVZXDYUATQ-UHFFFAOYSA-N 316.335 4.617 30 20 DJED C[C@H](OC(=O)c1cccc(C(C)(C)C)c1)c1cccc(C#N)c1 1533357641 CEJFXVGLJUDDMS-AWEZNQCLSA-N 307.393 4.774 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H]2CCC[C@H](C)C2)n1 1559352169 CAHKACPPZIZLIC-GXSJLCMTSA-N 314.376 4.951 30 20 DJED CN(CCc1cccc2ccccc12)Cc1ccc(CC#N)cc1 1559511320 JVGIMUIDKRIHER-UHFFFAOYSA-N 314.432 4.580 30 20 DJED N#CCc1ccc(CN2CCC[C@H]2C[C@H]2C[C@H]3CC[C@H]2C3)cc1 1559517648 VWHKMSYZVAFRCQ-BURNTYAHSA-N 308.469 4.543 30 20 DJED CC1(c2ccccc2)CCC(Nc2c(C#N)cccc2C#N)CC1 1642427499 SOQWBPVILZCXKO-UHFFFAOYSA-N 315.420 4.742 30 20 DJED Cc1ccc([C@H]2CCC[C@@H]2NCc2ccc(C#N)c(Cl)c2)cc1 1652285622 UALNILUGUSNWSR-QUCCMNQESA-N 324.855 4.946 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCC[C@@H]1CCc1ccccc1 1657005628 RNUSSNBBNVSBOE-HXUWFJFHSA-N 324.855 4.809 30 20 DJED C[C@@H](CCC#N)CN(C)[C@H](c1ccccc1)c1ccc(F)cc1 1658708934 PUCRZRMZSTVMIV-OXJNMPFZSA-N 310.416 4.787 30 20 DJED C[C@H](CN1CCC[C@H]1[C@H](C#N)c1ccccc1)C1CCCCC1 1658899264 LHYJSWPCUYCLQY-UIFIKXQLSA-N 310.485 4.975 30 20 DJED CC(C)CC[C@H](NC(=O)Nc1ccc(F)cc1C#N)C(C)(C)C 1669604931 PZCGGYNMRUVAMB-INIZCTEOSA-N 319.424 4.670 30 20 DJED Cc1ccc(C=NN[C@H](C)c2ccc(C(C)C)cc2)c(C(=O)O)c1 1776105973 LIGJYBVCBGULQD-OAHLLOKOSA-N 324.424 4.501 30 20 DJED C[C@@H](NCc1ccc(Cl)cc1Cl)c1ccc(C#N)cc1 35256386 IYWISJJMBCFZAY-LLVKDONJSA-N 305.208 4.716 30 20 DJED Cc1coc(-c2ccc(C)c(N[C@@H](C#N)C3CCCCC3)c2)n1 160046985 QYDZFPWXCGZFCM-SFHVURJKSA-N 309.413 4.843 30 20 DJED O=C(/C=C/c1ccccc1F)c1ccc(N2CCCCC2)cc1 164447573 JOWOPACGTHTYSS-JLHYYAGUSA-N 309.384 4.712 30 20 DJED COc1ccc([C@H](N[C@@H](C)c2cccc(C#N)c2)C(C)C)cc1 181420133 XTVZXTROAKJHQT-MGPUTAFESA-N 308.425 4.615 30 20 DJED CCC[C@@H](C)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N 264628086 SKZAVQMCYQTTGY-ZIAGYGMSSA-N 319.474 4.733 30 20 DJED Cc1cccc(C)c1[C@H](C)Nc1nc(C(F)(F)F)ccc1C#N 302205196 CULAPZDPAUMFPN-LBPRGKRZSA-N 319.330 4.762 30 20 DJED C=C(C)CN(CC)C(=O)C1(c2cccc(Cl)c2)CCCC1 302984665 WBCYBMKCXUGWAM-UHFFFAOYSA-N 305.849 4.576 30 20 DJED Cc1c(C2CCCCC2)noc1N=C(O)C[C@H]1CCCCO1 330124626 ICHAIBNVPXIETF-CQSZACIVSA-N 306.406 4.578 30 20 DJED N#CCc1ccc(NCC(c2ccccc2)c2ccccc2)cc1 392169379 IDISQPCEGKGXSL-UHFFFAOYSA-N 312.416 4.997 30 20 DJED C=CC[C@@H](CC)NC(=O)Cc1csc2ccc(Cl)cc12 410129796 GYYZZNRWLXPYIE-CYBMUJFWSA-N 307.846 4.568 30 20 DJED C=CCC[C@@H](CCC)Nc1cc(NC(=O)N(C)C)ccc1C 437343940 RFULWEKVYVJREN-OAHLLOKOSA-N 303.450 4.635 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1ccc(-c2ccco2)cc1F 439411575 TXBIPGVGATWZJO-ZDUSSCGKSA-N 302.349 4.562 30 20 DJED Cc1ccc(-c2cc(CSc3ccccc3C#N)on2)cc1 439707398 KCSNFSAEKDEXID-UHFFFAOYSA-N 306.390 4.814 30 20 DJED CCCCCN(C(=O)C[C@@H](CC#N)c1ccccc1)C(C)C 475017304 QMPGJFQVIKODGA-GOSISDBHSA-N 300.446 4.501 30 20 DJED CC1(C)CC[C@H](CSc2ccc(C#N)c(C(F)(F)F)c2)O1 484501487 WKRMKPJGEDUNSW-LLVKDONJSA-N 315.360 4.627 30 20 DJED CC1(C)CC[C@H](NC(=O)c2ccccc2-c2ccccc2C#N)C1 509967615 DWCOXGMRSTXIRT-INIZCTEOSA-N 318.420 4.534 30 20 DJED C[C@H](Nc1ccc2cc(C#N)ccc2n1)c1c(F)cccc1F 536765752 AWTYYNJMMKHJQP-NSHDSACASA-N 309.319 4.558 30 20 DJED CC(C)(C#N)CCCN[C@@H](COc1ccccc1F)C(C)(C)C 537289025 BQLDPRIOSUSXSM-KRWDZBQOSA-N 320.452 4.539 30 20 DJED C=CCN(Cc1csc(Cc2ccc(Cl)cc2)n1)C1CC1 537854751 INRNXVPWDCRBQJ-UHFFFAOYSA-N 318.873 4.538 30 20 DJED C=C(C)CCc1noc([C@H](C)Oc2ccc3ccccc3c2)n1 554837962 WAZXRTIMBQALSA-AWEZNQCLSA-N 308.381 4.872 30 20 DJED C=CCC[C@H](Nc1cccc(C(=O)NCCC)c1)c1ccco1 556896002 PHNKGEBUJKBYCR-KRWDZBQOSA-N 312.413 4.539 30 20 DJED Cc1ccc([C@H](NCc2ccc(C#N)s2)c2ccccc2)cc1 557654541 XSQDAWKNMARJNO-HXUWFJFHSA-N 318.445 4.807 30 20 DJED CC[C@@H](Nc1cccc2c(OC)ccnc12)c1ccc(C#N)cc1 571849801 FIYRVZKERODXMC-QGZVFWFLSA-N 317.392 4.678 30 20 DJED CC[C@H](Nc1cccc(CN(CC)CC)c1)c1ccc(C#N)cc1 584211898 FSKFPLHUXJZPMI-NRFANRHFSA-N 321.468 4.963 30 20 DJED C[C@@H](NC(=O)CC1(C#N)CCCCC1)c1c(F)cccc1Cl 597338760 PYKWBDXVOBWSIJ-GFCCVEGCSA-N 322.811 4.520 30 20 DJED N#Cc1ccc(N[C@H](CCc2ccccc2)c2ccccc2)nc1 603867588 HPXKRKLJOIJJDN-HXUWFJFHSA-N 313.404 4.739 30 20 DJED C=CCCCS[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 609803822 AICYODLGNYJRHJ-LBPRGKRZSA-N 306.406 4.945 30 20 DJED N#C[C@@H](C(=O)c1cccc(C2CCC2)c1)c1nc(C2CC2)cs1 647379488 NCWWUCOJBFXNEM-INIZCTEOSA-N 322.433 4.778 30 20 DJED COc1ccccc1/C=C/C(=O)c1nc(-c2ccccc2)cs1 730084854 ISZHFWHIQQFWKZ-VAWYXSNFSA-N 321.401 4.715 30 20 DJED C=CC[C@@H](NC(=O)C[C@@H](c1ccccc1)C(C)C)c1ccncc1 734459149 FKVUCQFPUYABMA-WOJBJXKFSA-N 322.452 4.645 30 20 DJED CCOc1ccccc1/C=C\C(=O)c1c[nH]c2cc(F)ccc12 749452758 NMBGAFCBPAHZKC-YFHOEESVSA-N 309.340 4.602 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(Cl)nc2)c2ccccc12 759082578 IGTAPNVHBABJGJ-RMKNXTFCSA-N 323.779 4.793 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(F)=C1CCCC1 763045898 ZKDDPVFQMOUWJA-LBPRGKRZSA-N 318.417 4.817 30 20 DJED C=CC[C@H](N[C@@H](C)c1cc(Cl)ccc1OC)c1ccncc1 766017780 DBTOBXBKCAJOMC-GUYCJALGSA-N 316.832 4.712 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C/c3cscc3Cl)c2c1 771857401 DKWCQXUXYXJHOW-GORDUTHDSA-N 317.797 4.788 30 20 DJED CC(=NNc1cc(Cl)ccn1)c1ccc(-c2ccncc2)cc1 777906764 FYMLPXJEKBCMKB-UHFFFAOYSA-N 322.799 4.633 30 20 DJED Cc1ncccc1/C=C1\CCc2[nH]c3ccc(Cl)cc3c2C1=O 790603053 IQMDYRBMACBSEI-UKTHLTGXSA-N 322.795 4.737 30 20 DJED Clc1ccc(NN=C2CCCC23CCOCC3)cc1Cl 799874937 GNNDUPXLQSXRPL-UHFFFAOYSA-N 313.228 4.742 30 20 DJED C[C@@H]1C[C@@H](c2ccccc2)N(Cc2ccc(O[C@H](C)C#N)cc2)C1 809715478 INGGUGVLZGCSII-LZJOCLMNSA-N 320.436 4.561 30 20 DJED COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)c(F)c1 917143329 YTAIGULQMRTVSN-ZZXKWVIFSA-N 308.711 4.523 30 20 DJED O=C(/C=C\c1ccc2c(c1)CCO2)c1ccc2ccccc2c1 917517636 UKZXGKPRZNRXGL-UITAMQMPSA-N 300.357 4.671 30 20 DJED N#CC1(CCCCN[C@@H](c2ccccc2)c2ccccn2)CCC1 929861277 JFUDJTBEJFUJJD-FQEVSTJZSA-N 319.452 4.625 30 20 DJED CCCCN(C(=O)CC#Cc1ccccc1)[C@H](C)c1ccc(C)o1 1116270704 HNPPXKYYYIZWSH-GOSISDBHSA-N 323.436 4.720 30 20 DJED CCCCN(CCOc1ccccc1C#N)[C@@H]1CCC[C@@H](C)C1 1170679368 CIWNNPXLYWAPGX-IEBWSBKVSA-N 314.473 4.618 30 20 DJED C[C@@H](NCc1ccc(CC#N)cc1)C1(c2ccccc2)CCCC1 1193508624 QRDHOGXVOIOUHN-GOSISDBHSA-N 318.464 4.743 30 20 DJED Cc1cc(CN2CCC[C@@H]2C[C@H]2C[C@H]3CC[C@H]2C3)ccc1C#N 1204907277 DVPNFGZHBXUZHX-XIGKFDRGSA-N 308.469 4.657 30 20 DJED COc1cc(C#N)ccc1CSCc1ccccc1C1CC1 1307329729 HUOCZAHDGVSARZ-UHFFFAOYSA-N 309.434 4.878 30 20 DJED N#Cc1ccc(CN(CCc2ccccc2)c2ccccc2)s1 1307542119 WWCRKKXUNJRIMK-UHFFFAOYSA-N 318.445 4.869 30 20 DJED N#Cc1ccc(-c2nnc([C@@H]3CC[C@@H]4CCCC[C@H]4C3)o2)cc1 1345515024 YJKKGWRFDBIMLS-BHYGNILZSA-N 307.397 4.682 30 20 DJED CC(C)CCN(C(=O)CC1(C#N)CCCCC1)C1CCCC1 1354315570 RXHTZBFTTUUOFF-UHFFFAOYSA-N 304.478 4.668 30 20 DJED CC[C@@H](OC(=O)c1cccc(C#N)c1C)c1ccc(F)c(C)c1 1358428463 XUFZKMIUSATRTF-GOSISDBHSA-N 311.356 4.622 30 20 DJED CC[C@H](OC(=O)c1ccc(C)c(C#N)c1)C(C)(C)c1ccccc1 1435219571 DBPSJCKOSDDQCH-IBGZPJMESA-N 321.420 4.780 30 20 DJED CCC(CC)CN(CCC#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 1443565391 WKYZVQOAPXFZMQ-CEXWTWQISA-N 318.505 4.771 30 20 DJED Cc1ccc([C@H]2CCCN2c2nc(C)c(C#N)cc2Cl)cc1 1458089931 AVDOAQQCCRNIAP-QGZVFWFLSA-N 311.816 4.565 30 20 DJED CC[C@@H](Cc1ccccc1)Nc1nc(C(C)(C)C)ccc1C#N 1458156076 HBEJHOCFAGRXPG-KRWDZBQOSA-N 307.441 4.684 30 20 DJED Cc1c(C#N)cccc1NC(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 1465873438 WWZUCFGMLOTZAE-WBVHZDCISA-N 313.445 4.593 30 20 DJED COc1cccc2c(CNc3cc(C#N)ccc3C)cccc12 1474172511 RKGRUPTVICABPI-UHFFFAOYSA-N 302.377 4.641 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)OCc1ccc(CC#N)cc1 1535001387 SCEDGTCZAVTGEX-LJQANCHMSA-N 313.441 4.792 30 20 DJED Cc1c(C#N)cccc1C(=O)N(c1ccccc1)[C@H](C)C(C)C 1537685282 VUDXMGTWHZKFOI-MRXNPFEDSA-N 306.409 4.558 30 20 DJED Cc1c(Cl)cnc(N(Cc2ccccc2)CC(C)C)c1C#N 1639364347 VCLXFVABQPUPNG-UHFFFAOYSA-N 313.832 4.578 30 20 DJED Cc1c(Cl)cccc1-n1ccnc1SCC1(CC#N)CC1 1643550901 WXLNXKGMKWRVHD-UHFFFAOYSA-N 317.845 4.620 30 20 DJED CCCCc1ccc([C@@H](Nc2ccc(C#N)nn2)C(C)C)cc1 1649431752 JMLIZLHWCRCGFQ-IBGZPJMESA-N 308.429 4.500 30 20 DJED COc1ccc([C@@H](C)Sc2nc(C)c(C#N)cc2Cl)cc1 1650686108 WQPMAZIYXLJOMK-LLVKDONJSA-N 318.829 4.777 30 20 DJED Cc1c(Cl)cnc(N[C@@H](c2ccccc2)C2CCC2)c1C#N 1651498686 RACAQOBKNYNILE-KRWDZBQOSA-N 311.816 4.868 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C[C@H](C)c1ccc(OC)cc1 1656980768 BSVFXFWFQFTECU-KRWDZBQOSA-N 322.452 4.583 30 20 DJED CC(C)(C)C[C@@H](NC1CC(C#N)(c2ccccc2)C1)C(F)(F)F 1657550931 ZNWAWSNYMRQPMT-ISXOHVOVSA-N 324.390 4.567 30 20 DJED CCCc1cc(C(=O)Nc2sc(C)c(C)c2C#N)sc1C 23975259 ZAOYFPGUGYBCCP-UHFFFAOYSA-N 318.467 4.811 30 20 DJED N#Cc1ccc(F)c(CNC2(c3ccc(Cl)cc3)CCC2)c1 104707470 RISDVUBAMQKMRA-UHFFFAOYSA-N 314.791 4.520 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccc(-c2nc(C)cs2)cc1 105030705 JHIAXIMUSHVAEZ-UHFFFAOYSA-N 315.442 4.548 30 20 DJED C=CCCCC(=O)N1CCc2sccc2[C@H]1c1cccs1 177482050 RZXOQWRMKHXYPB-KRWDZBQOSA-N 317.479 4.640 30 20 DJED C[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)c1ccc(C#N)cc1 301583438 QLNPJBOOROZSIA-LLVKDONJSA-N 315.298 4.622 30 20 DJED CC(C)(C)c1cnc(CC/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@@H]3C2)o1 328830522 UYNSLEIIIVBURA-RRFJBIMHSA-N 318.461 4.830 30 20 DJED CC(C)(C)c1nc2ccc(N=C(O)C[C@H]3CCOC3)cc2s1 329770359 ISABVQDWAREXHB-LLVKDONJSA-N 318.442 4.608 30 20 DJED N#C[C@@H]1CCC[C@@H]1/N=C(/O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 330099855 HNISUDPZXVXELJ-JLCRNFDHSA-N 322.452 4.684 30 20 DJED CCCCN(CCCC1(C#N)CCOCC1)C1CCCCC1 410339851 VELPCWPECASRDI-UHFFFAOYSA-N 306.494 4.522 30 20 DJED C=CC[C@H](C)[C@@H](C)NCc1nc(-c2ccccc2F)cs1 428440180 RVOWCPVQMLEBJE-QWHCGFSZSA-N 304.434 4.640 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2cccc(C)c2C)CCCC1(C)C 436101792 IDVVBRWWFVRMGZ-KRWDZBQOSA-N 300.446 4.902 30 20 DJED N#Cc1ccccc1Oc1ccc(NC(=O)CC2CCC2)cc1F 437460895 SLCCENJPUQROMF-UHFFFAOYSA-N 324.355 4.618 30 20 DJED C[C@H](Cc1ccc(Cl)cc1Cl)N[C@H]1CCC[C@@H](C#N)C1 463288131 LTQGTXQRZBULSQ-JMSVASOKSA-N 311.256 4.596 30 20 DJED C=CCN(CC=C)C(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 472642575 MFUDEGBHLMCWSE-KRWDZBQOSA-N 321.420 4.641 30 20 DJED C=CCC1(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)CCC1 479661784 RQAWZJQSHCYXGJ-LBPRGKRZSA-N 311.347 4.629 30 20 DJED Cc1cccc([C@H]2CCCCN2C(=O)c2ccc(C#N)s2)c1C 487528468 TYVZDMUMPGAATE-QGZVFWFLSA-N 324.449 4.604 30 20 DJED C=CC[C@H](C(=O)Nc1ccc(C)c(OC)c1C)c1ccccc1 488638389 DUJWYUVIUZFDIR-KRWDZBQOSA-N 309.409 4.610 30 20 DJED C=C(C)[C@H](NC(=O)CC(C)(C)C1CC1)c1ccc(F)c(F)c1 501012892 COIGXSZPRUPLEB-KRWDZBQOSA-N 307.384 4.525 30 20 DJED CC(C)CCN(CCC#N)C(=O)CCc1ccc(C(C)C)cc1 505182981 ZCAWCTHOSDSUPG-UHFFFAOYSA-N 314.473 4.531 30 20 DJED C=CCOc1cccc(CN(Cc2ccco2)Cc2ccco2)c1 506113022 LBSCZBOXCBUJMG-UHFFFAOYSA-N 323.392 4.640 30 20 DJED C=C[C@@H]1CCCCN1C(=O)c1sc2cc(F)ccc2c1C 509182919 HYUSLGNNXZDSJE-CYBMUJFWSA-N 303.402 4.530 30 20 DJED CC[C@H](C)CCC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 511728795 IULRPBCFTZSAJM-HZMBPMFUSA-N 313.228 4.501 30 20 DJED C=CCCCCCN(C)C(=O)N[C@@H](C)c1cccc(C)c1C 525321791 TYFHXJDMGDGSTR-KRWDZBQOSA-N 302.462 4.752 30 20 DJED Cc1nc(-c2cccc(NCc3ccc(C#N)cc3F)c2)oc1C 533446115 FSHLNCIJPCFQGQ-UHFFFAOYSA-N 321.355 4.581 30 20 DJED C=CCCC[C@@H](C)NC(=O)Nc1cnn([C@H](C)CC)c1C1CC1 538325349 TYMRIIGPAYJTDX-ZIAGYGMSSA-N 318.465 4.598 30 20 DJED C=CCC(C)(C)CN[C@@H](C)CC(=O)Nc1ccccc1C(C)C 572105345 QLMMEGGREPEOFK-INIZCTEOSA-N 316.489 4.719 30 20 DJED C[C@H](NC(=O)C1(C#N)CCCCC1)c1ccc(F)c2ccccc12 583685644 NOARFQICYDDJBY-AWEZNQCLSA-N 324.399 4.630 30 20 DJED N#CCCCCCC(=O)N(c1ccccc1F)C1CCCC1 588933696 QTLGSRZETCFAER-UHFFFAOYSA-N 302.393 4.575 30 20 DJED CC(C)OCc1cccc(-c2ccc3[nH]cc(CC#N)c3c2)c1 592987355 YUENOOLTTIIQKT-UHFFFAOYSA-N 304.393 4.826 30 20 DJED CSc1cc(Cl)ccc1NCc1ccc(C#N)c(F)c1 600857419 NDRIDVKBHFESPV-UHFFFAOYSA-N 306.793 4.685 30 20 DJED Cc1ccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1F 611093218 LBXLPYTZVQDPPR-UHFFFAOYSA-N 323.154 4.565 30 20 DJED N#CCCCNC(c1ccccc1Cl)c1ccccc1Cl 612416969 SQZDIOZBSNVDAN-UHFFFAOYSA-N 319.235 4.976 30 20 DJED C[C@@H](CCC(C)(C)C)C(=O)N(CCC#N)c1ccc(F)cc1 612540426 UWSDTNVQDDUUHS-AWEZNQCLSA-N 304.409 4.535 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(CC)(CC)CC 672239708 SVILVTHSZKGMKY-UHFFFAOYSA-N 319.493 4.585 30 20 DJED C=CC[C@H]1N(C(=O)Nc2ncsc2C(C)C)CCCC1(C)C 685116204 JZTKRFDGYPCXND-CYBMUJFWSA-N 321.490 4.865 30 20 DJED N#Cc1cccc(C(=O)/C=C\c2cc(C(F)(F)F)ccc2F)c1 733206294 GEQFWDWBQFPIBR-DAXSKMNVSA-N 319.257 4.612 30 20 DJED CC(C)(C)CC(=NNc1cncc(Cl)n1)c1ccc(F)cc1 734298828 NLHGPRUQVWFVOL-UHFFFAOYSA-N 320.799 4.522 30 20 DJED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)CC(F)(F)C(F)F 736621301 UJLVJBOVJYMNEL-QMMMGPOBSA-N 317.248 4.599 30 20 DJED CC(/C=C\C(=O)c1c(Cl)nc2ccccn12)=C\c1ccccc1 737446055 MQYOHLOZDGKKGE-SEGPTZFDSA-N 322.795 4.830 30 20 DJED O=C1/C(=C/c2ccc(OCC(F)F)cc2)CCc2sccc21 741845141 WJRSRQYWADBXHJ-FMIVXFBMSA-N 320.360 4.605 30 20 DJED C=CC[C@@H](N[C@H](C)c1cc(C)c(OC)cc1C)c1ccncc1 753672499 WHVBNFLJBBNNLE-VQIMIIECSA-N 310.441 4.675 30 20 DJED Cc1cccc2nc([C@H](C#N)C(=O)[C@@H](C)CCC(C)(C)C)[nH]c12 755693659 AVAUYYPEXRPDEO-UONOGXRCSA-N 311.429 4.510 30 20 DJED Cn1c(-c2ccccc2)cnc1SCCCCC(C)(C)C#N 767046662 MICIDUVJNZZAJF-UHFFFAOYSA-N 313.470 4.899 30 20 DJED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1cscc1Cl 771861922 XNQCZISKMCIINQ-HWKANZROSA-N 307.758 4.514 30 20 DJED C[C@@H](C(=O)O[C@@H](C#N)C1CCCCC1)c1ccc(Cl)s1 776394395 WZOMEVLNTROJMO-PWSUYJOCSA-N 311.834 4.521 30 20 DJED Cc1ccncc1CCC=NNc1ccnc2cc(Cl)ccc12 776720068 GWVYCTKSPZCQDH-UHFFFAOYSA-N 324.815 4.622 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)/C=C(\C)c1ccccc1Cl 787941410 AHOCCCXCRPIRFQ-BUHFOSPRSA-N 318.848 4.674 30 20 DJED C[C@@H](NCc1ccc(C#N)c(F)c1)c1csc2ccccc12 792287450 LGAKQQYOZHNXHF-GFCCVEGCSA-N 310.397 4.763 30 20 DJED COc1cc(Cl)c(N[C@H](C)c2ccc(C#N)cc2)cc1C 808723902 RECUXZNMMWRJLP-GFCCVEGCSA-N 300.789 4.702 30 20 DJED C=CCC(F)(F)C(=O)N1CC2(CCCCC2)[C@@H]1c1ccccc1 838057305 KQGCMLPXCKDXLL-INIZCTEOSA-N 319.395 4.732 30 20 DJED Cc1ccccc1/C=C\C(=O)c1sccc1Br 915113023 LQVJWLQDGDGCNE-SREVYHEPSA-N 307.212 4.715 30 20 DJED CCOc1cc(/C=C\C(=O)c2cc(C)c(C)cc2C)ccc1O 916156016 XRNADNFCYHQHNS-VURMDHGXSA-N 310.393 4.612 30 20 DJED FC(F)(F)c1ccccc1ON=Cc1ccc2c(c1)CCC2 1116374032 RQIQNUYLVOYUTM-UHFFFAOYSA-N 305.299 4.607 30 20 DJED CCCCCCCCC(=O)N[C@@H]1CCCc2cnn(C(C)C)c21 1116604893 ZVZUSDAYIMPSOX-QGZVFWFLSA-N 319.493 4.708 30 20 DJED CC[C@H]1CCC[C@@H]1NC(=O)c1ccccc1-c1ccccc1C#N 1127157371 TXPCAEWIFQHPHS-YWZLYKJASA-N 318.420 4.534 30 20 DJED CCc1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1Cl 1128724482 CBPINJMURUFSLZ-UHFFFAOYSA-N 319.191 4.680 30 20 DJED C[C@H](CC1CCCCC1)C(=O)N(C)c1ccc(C#N)c(Cl)c1 1131996862 ZZRODRPDBFHCNQ-CYBMUJFWSA-N 318.848 4.781 30 20 DJED CC(C)(C)c1ccc(C#N)c(NCc2ccc(F)c(Cl)c2)n1 1162355544 BMUVIDDJHKQJLJ-UHFFFAOYSA-N 317.795 4.655 30 20 DJED CC(C)CC1(CNc2ccc(C#N)c(Br)c2)CCC1 1185793833 UXHPKESNHOOVNF-UHFFFAOYSA-N 321.262 4.949 30 20 DJED N#Cc1cccc(C(=O)OC2CCCCCCCCCCC2)n1 1264203933 OGRVPHCEQZBULG-UHFFFAOYSA-N 314.429 4.783 30 20 DJED Cc1cc(C#N)cc(NC(=O)C2(c3cccc(C)c3)CCCC2)c1 1275796833 JAPNQGSXMXYTKA-UHFFFAOYSA-N 318.420 4.626 30 20 DJED C[C@@H](CC(=O)N[C@H]1CCCc2cc(C#N)ccc21)CC(C)(C)C 1276284470 SWMMRCLOLZQAPS-KSSFIOAISA-N 312.457 4.514 30 20 DJED Cc1csc(CNc2c(C#N)cnc3c(Cl)cccc23)c1 1307124215 JIWOMBWSRHGHTL-UHFFFAOYSA-N 313.813 4.742 30 20 DJED CN(Cc1cccc(C#N)c1F)[C@H]1CCCC[C@@H]1c1ccccc1 1307844223 QQKADTRATPPHAG-UXHICEINSA-N 322.427 4.856 30 20 DJED C[C@@H](Cc1ccccc1Cl)Nc1ccccc1O[C@@H](C)C#N 1320288443 VTFIBQYWEDUPOB-KBPBESRZSA-N 314.816 4.674 30 20 DJED CCCC1(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 1357209342 KAHJVJPBWXPKSJ-UHFFFAOYSA-N 320.392 4.869 30 20 DJED CC(C)[C@H]1CCCCCN1Cc1ccc(C#N)cc1OC(F)F 1459833306 XIQSQFHFASRSER-MRXNPFEDSA-N 322.399 4.560 30 20 DJED C[C@@H](CCC#N)Sc1nc2ccccc2n1-c1ccccc1 1559320257 RVOYAGCQLZQEIV-AWEZNQCLSA-N 307.422 4.810 30 20 DJED COc1ccc(CS[C@H](C)c2ccc(C#N)cc2)c(OC)c1 1559462309 KNHADCMTJYTAFD-CYBMUJFWSA-N 313.422 4.570 30 20 DJED CCC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(C#N)c(Cl)c1 1597460842 QKGWEMUTQSLYMV-CJNGLKHVSA-N 318.848 4.548 30 20 DJED Cc1cc(N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)ncc1C#N 1612487234 BEMHTZHQXZTMBP-YOEHRIQHSA-N 311.816 4.663 30 20 DJED CCN(Cc1ccc(C#N)cc1Cl)[C@H](C)c1ccc(F)cc1 1615229390 JBBSVVTYJOYFSW-CYBMUJFWSA-N 316.807 4.934 30 20 DJED Cc1ccc([C@@H]2CCN(CCC3(C#N)CCCCC3)C2)c(C)c1 1617713564 SXXICBMTOZIHHY-LJQANCHMSA-N 310.485 4.957 30 20 DJED CC(C)(C)[C@@H]1CCCN(c2c(Br)cccc2C#N)C1 1642622917 JJZDVLOTMKITHK-CYBMUJFWSA-N 321.262 4.583 30 20 DJED CCN(Cc1cc(Cl)ccc1F)[C@@H](C)c1ccc(C#N)cc1 1652330058 XTDJOQYFDCOZBL-ZDUSSCGKSA-N 316.807 4.934 30 20 DJED CC(C)(CC#N)CNCc1ccc(-c2ccc(Cl)cc2)o1 1656410402 XYHXWUVHGRJRHY-UHFFFAOYSA-N 302.805 4.629 30 20 DJED C[C@@H](CN(Cc1ccc(C#N)cc1)C1CC1)c1cccc(Cl)c1 1658596253 WGKOQBPXEAOYQD-HNNXBMFYSA-N 324.855 4.980 30 20 DJED Cc1ccccc1CNc1ccccc1Oc1ncccc1C#N 55844313 AUVLDYIIHDESSC-UHFFFAOYSA-N 315.376 4.666 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@@H]1CC=CCC1 77687426 ADNNUJBYQPBVPB-CQSZACIVSA-N 308.406 4.582 30 20 DJED CC(C)(C)CN(CCC#N)Cc1cccc(-c2cccnc2)c1 93101166 AAOQBCDLESBXQU-UHFFFAOYSA-N 307.441 4.510 30 20 DJED C=CCC[C@@H](NC(=O)N[C@H](CC)c1ccncc1)c1ccccc1 160374572 GRQFDKCTVPPINN-RTBURBONSA-N 323.440 4.539 30 20 DJED C[C@@H](Nc1ccc(F)c(Br)c1)c1cccc(C#N)c1 165746703 PZVKKJPATDIOLY-SNVBAGLBSA-N 319.177 4.633 30 20 DJED C=CC[C@@H](C)N[C@@H](C)c1ccc(SC(F)F)c(OC)c1 180952610 KSSJHXNGBJQCMP-MNOVXSKESA-N 301.402 4.625 30 20 DJED C[C@H]1CCc2c(F)cccc2[C@H]1Nc1snc(Cl)c1C#N 301946870 CLNLDSPOVASMOP-SDBXPKJASA-N 321.808 4.543 30 20 DJED C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 303323224 RQVRXFWHXDZMRO-SFHVURJKSA-N 322.452 4.762 30 20 DJED CC(C)[C@H](C)Sc1c(C#N)cnc2c(F)c(F)c(F)cc12 342423553 ZMNZLPBNOVJVRS-QMMMGPOBSA-N 310.344 4.660 30 20 DJED CCCCCCCCCC(=O)N(C)Cc1cccc(C#N)c1 388397834 ULUDJHNXXIGCOW-UHFFFAOYSA-N 300.446 4.657 30 20 DJED Cc1nc(-c2cc([C@@H](C)NCC(C)(C)CC#N)cs2)cs1 414168402 QQDVNNYFBYYFBI-LLVKDONJSA-N 319.499 4.771 30 20 DJED Cc1cccc(NC(=O)c2sc3ccc(C#N)cc3c2C)c1C 428104037 UALFXQNRZHOPCV-UHFFFAOYSA-N 320.417 4.951 30 20 DJED N#CCC1(CN[C@@H](CCc2ccccc2)c2ccccc2)CC1 430736694 FKYYKBRBPZOWGU-FQEVSTJZSA-N 304.437 4.644 30 20 DJED C[C@H](CCC(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 441477570 YNYSCQGEBJTUAZ-CYBMUJFWSA-N 312.800 4.734 30 20 DJED N#Cc1cc(NC(=O)Nc2cccc3ccsc23)ccc1F 443859125 WUUOCFOYTXLVOC-UHFFFAOYSA-N 311.341 4.556 30 20 DJED C=CC[C@H]1N(C(=O)Nc2ccc(C)cc2F)CCCC1(C)C 444822522 LDTPXNMAVPLWNE-MRXNPFEDSA-N 304.409 4.733 30 20 DJED N#CCSCCCN(Cc1ccco1)c1ccc(Cl)cc1 467150389 VRJNDWHZYOWEQL-UHFFFAOYSA-N 320.845 4.586 30 20 DJED C=CCC(CC=C)C(=O)Nc1cc(Cl)ccc1NC1CC1 467520978 HHVRHKLVDJVUHT-UHFFFAOYSA-N 304.821 4.621 30 20 DJED N#Cc1ccc(C2=CCN(Cc3cccc(C(F)F)c3)CC2)cc1 470777644 YRYUJYPJZNPZBS-UHFFFAOYSA-N 324.374 4.785 30 20 DJED N#Cc1cc(Cl)ccc1CSc1nc2ccccc2o1 479230121 WEPKKBUBHRKDHT-UHFFFAOYSA-N 300.770 4.645 30 20 DJED CCCN(CCCC1(C#N)CCOCC1)c1ccc(Cl)cc1 499547740 UADDIHIOJKDLLK-UHFFFAOYSA-N 320.864 4.657 30 20 DJED Cc1cc2cc(CN(CCC#N)Cc3ccco3)oc2cc1C 505770567 GWZWJWXYNNHVCL-UHFFFAOYSA-N 308.381 4.559 30 20 DJED CCc1cc(C#N)c(NC(=O)C[C@@H](C)C2CCCCC2)s1 508755073 PCOUKHPEAOEDCZ-GFCCVEGCSA-N 304.459 4.727 30 20 DJED N#Cc1ccccc1CSCc1sccc1Br 516382138 DCGGGWCWFSQLPE-UHFFFAOYSA-N 324.268 4.816 30 20 DJED N#CCCCOc1cccc(CNc2cc(F)cc(Cl)c2)c1 532890870 LMHBMWXHNCWZDL-UHFFFAOYSA-N 318.779 4.774 30 20 DJED C=CC[C@H](C)N[C@@H](CSC)c1ccc(C(F)(F)F)cc1 542845849 BXKKCTKBILLWTN-FZMZJTMJSA-N 303.393 4.664 30 20 DJED CN(Cc1ccc(-c2ccccc2C#N)cc1)c1cccc(O)c1 558271339 OQBPBRLACFMTAZ-UHFFFAOYSA-N 314.388 4.567 30 20 DJED Cc1cc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)cc(C)c1F 580907148 GOBWAZDRRUAKRV-OAHLLOKOSA-N 308.400 4.654 30 20 DJED CCSc1ccccc1C(=O)Nc1ccc(Cl)c(C#N)c1 585709687 WZSMYOSSZVAUPH-UHFFFAOYSA-N 316.813 4.576 30 20 DJED N#C[C@H]1CCC[C@@H](Nc2ccc3nc(C(F)F)sc3c2)C1 589189301 GBCYWWHIFDNFIZ-VHSXEESVSA-N 307.369 4.728 30 20 DJED C[C@@H](CCC#N)CN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 602658739 XHWCKSSGRGNSAC-UBHSHLNASA-N 311.256 4.769 30 20 DJED CC(C)(C)CN(CCC#N)Cc1ccccc1Oc1cccnc1 609487378 IWXRLOZDDRUGNO-UHFFFAOYSA-N 323.440 4.636 30 20 DJED CC(C)(C)c1cccc(Oc2c(C#N)nnc3ccccc23)c1 610128514 UNLOUSWETNPFPA-UHFFFAOYSA-N 303.365 4.591 30 20 DJED C[C@H](NCc1csc(C2CCCC2)n1)c1cccc(C#N)c1 611387096 DXVFISPJUILQGV-ZDUSSCGKSA-N 311.454 4.523 30 20 DJED CC(CCc1ccc(F)cc1)=NNc1cc(F)c(F)cc1F 734301855 SCCDWEQKTRAXEE-UHFFFAOYSA-N 310.294 4.664 30 20 DJED COc1cc(/C=C\C(=O)c2ccc(C)cc2C)ccc1SC 746342697 YZZLBHIAKBYAFT-TWGQIWQCSA-N 312.434 4.930 30 20 DJED CCCCC(=NNc1oc(C(C)(C)C)nc1C#N)c1ccccc1 746497190 BWQULFYQAFQXJT-UHFFFAOYSA-N 324.428 4.850 30 20 DJED Cc1c([C@H](C)OC(=O)c2ccc(C#N)s2)oc2ccccc12 750695569 WKLZUVNICWANBE-NSHDSACASA-N 311.362 4.592 30 20 DJED C=CC[C@@H](N[C@@H](C)c1cc(C)c(OC)cc1C)c1ccncc1 753672496 WHVBNFLJBBNNLE-QFBILLFUSA-N 310.441 4.675 30 20 DJED CCCn1nc(C)c(/C=C2\C(=O)c3cccc(C)c3[C@@H]2C)c1C 766696890 XKMGMMWBZKLVLN-GPLLRDDGSA-N 308.425 4.602 30 20 DJED CCCCCC[C@@](C)(CCC)C(=O)N1CCC(CC#N)CC1 782055407 LDYLDHVLBZDJTB-LJQANCHMSA-N 306.494 4.915 30 20 DJED Cc1c(C(=O)/C=C/c2ccc3ccccc3c2)cnn1C(C)C 787187628 SYTLKJGBDXVUOR-PKNBQFBNSA-N 304.393 4.822 30 20 DJED Fc1ccc(NN=Cc2ccccc2C(F)(F)F)c(F)c1F 814945513 ZKJAWKGEZWFGFE-UHFFFAOYSA-N 318.220 4.569 30 20 DJED C#Cc1cccc(NC(=S)Nc2cccc3ccccc23)c1 844257176 SQBDBLPMHNXJPR-UHFFFAOYSA-N 302.402 4.630 30 20 DJED Cc1ccc(N(CC(C)C)C(=O)c2sccc2C#N)c(C)c1 844665529 HBKHBOIMEHAVAQ-UHFFFAOYSA-N 312.438 4.539 30 20 DJED C#CCCOc1ccc(CNc2ccc3sc(C)nc3c2)cc1 864031992 YZCBRFUPYPLJEL-UHFFFAOYSA-N 322.433 4.619 30 20 DJED O=C(/C=C\c1c(F)cccc1F)c1ccc(Br)cc1 916134262 CBUBLHZXMQBTTA-HJWRWDBZSA-N 323.136 4.623 30 20 DJED C[C@@H](NN=Cc1ccccc1OC1CCCC1)c1ccccc1 920382175 DPMMOAPHDWEEMD-MRXNPFEDSA-N 308.425 4.693 30 20 DJED CC(C)C[C@@H](Nc1ccc(OCC#N)cc1)c1cccs1 1116495776 DVOMTSRXBAAXQB-MRXNPFEDSA-N 300.427 4.850 30 20 DJED CCOc1ccc(C#N)cc1N[C@H](C)Cc1coc2ccccc12 1205347558 NVMSWUUZZAVXGA-CQSZACIVSA-N 320.392 4.746 30 20 DJED C[C@@H](OC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21)c1cccc(C#N)c1 1266018822 KTCAFMXSEAZMDH-IWKCEXAMSA-N 311.425 4.769 30 20 DJED CO[C@@H](CSc1ccc(Cl)cc1C#N)c1ccc(F)cc1 1307310266 KRBYGAUNGVJZQQ-HNNXBMFYSA-N 321.804 4.831 30 20 DJED N#Cc1ccccc1NC(=O)c1ccc(-c2cccc(F)c2)s1 1348046628 IWRUVTZEMLIALP-UHFFFAOYSA-N 322.364 4.678 30 20 DJED Cc1ccc(C)c([C@@H](C)OC(=O)[C@H](C)Cc2ccc(C#N)cc2)c1 1458563776 VEPZIWRHWKJQJG-IAGOWNOFSA-N 321.420 4.658 30 20 DJED CCC[C@@H](CC)NCc1cccc(OCc2ccccc2C#N)c1 1461173923 YKMWDUCGINEROA-HXUWFJFHSA-N 322.452 4.806 30 20 DJED C[C@@H]1CCN(c2nc(C(C)(C)C)ccc2C#N)[C@@H](c2ccco2)C1 1472706159 HYQYBAPAETUYDN-GDBMZVCRSA-N 323.440 4.821 30 20 DJED CC(C)(C)c1cc(NC(=O)[C@H]2CC[C@H](C)CC2)c(C#N)s1 1520663754 NUNONWSULKCLRR-HAQNSBGRSA-N 304.459 4.682 30 20 DJED CC(C)[C@H](CC1CCCCC1)C(=O)Nc1ccc(C#N)c(F)c1 1535016545 WSSBHKIEFLOMLF-KRWDZBQOSA-N 316.420 4.878 30 20 DJED Cc1cc(N[C@H](Cc2ccccc2)c2ccccc2)ncc1C#N 1559063788 LQGIYTSQBICXNV-HXUWFJFHSA-N 313.404 4.658 30 20 DJED C[C@H](Sc1cccnc1C#N)c1ccc(OC(F)(F)F)cc1 1559412598 TXPJMLJTNMSMPE-JTQLQIEISA-N 324.327 4.705 30 20 DJED C[C@H](c1cc(F)ccc1F)N(C)Cc1ccc(Cl)cc1C#N 1559487358 AKOSKDRGXYMLGY-LLVKDONJSA-N 320.770 4.683 30 20 DJED C[C@@H](c1cc(F)ccc1F)N(C)Cc1ccc(Cl)cc1C#N 1559487359 AKOSKDRGXYMLGY-NSHDSACASA-N 320.770 4.683 30 20 DJED CC[C@@H](C)c1ccc([C@@H](NCc2cc(C#N)ccn2)C(C)C)cc1 1559630021 CGGXYVKJZDKKCP-IERDGZPVSA-N 321.468 4.954 30 20 DJED CC(C)(C)C1CCC(CNc2nc(C#N)c(Cl)s2)CC1 1642405091 SQMBNEBVWSQRTO-UHFFFAOYSA-N 311.882 4.933 30 20 DJED Cc1ccc(SC[C@H](C)Nc2ncc(C#N)cc2Cl)cc1 1642588385 IIOGFVAYILPGDX-LBPRGKRZSA-N 317.845 4.508 30 20 DJED CC1(C#N)CCC(NCC(C)(C)c2ccc(F)cc2Cl)CC1 1649609098 MPXHBPYAWJHDHU-UHFFFAOYSA-N 322.855 4.819 30 20 DJED CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)Nc1sccc1C#N 1663159567 NJGUVFRLUZTQJX-KBPBESRZSA-N 319.474 4.594 30 20 DJED CC[C@@H](C)CON=Cc1ccc(-c2ccc(C(=O)O)cc2)s1 1776112347 HKCQLOHXOZRMHZ-GFCCVEGCSA-N 317.410 4.510 30 20 DJED Cc1nc(Oc2ccccc2C#N)c2c3c(sc2n1)CCCC3 15209834 NWJHYLFALRSMKC-UHFFFAOYSA-N 321.405 4.543 30 20 DJED Cc1cc(C)c(C(=O)Nc2cccc(OCCCC#N)c2)c(C)c1 90368159 NQZUEYMSEBJDQZ-UHFFFAOYSA-N 322.408 4.547 30 20 DJED CCCOc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)c(C)c1 120919352 XLCWAGLEHPBBNP-MRXNPFEDSA-N 324.424 4.687 30 20 DJED CC[C@H](C)n1c(SCCCCC#N)nnc1-c1ccccc1 122543900 IPBWCHYXNACAIL-AWEZNQCLSA-N 314.458 4.702 30 20 DJED C=C[C@H](CC(=O)[C@@H](C#N)c1nc(C(C)C)cs1)c1ccccc1 131164242 FCYWFRPITAFEFG-GDBMZVCRSA-N 324.449 4.803 30 20 DJED CCC(C#N)(CC)C(=O)Nc1cccc(Oc2ccccc2)c1 320747091 MZWODUUWPRPPHX-UHFFFAOYSA-N 308.381 4.747 30 20 DJED N#Cc1c(N=C(O)[C@@H]2CCCSC2)sc2c1CCCCC2 329597863 CRCSUYVCXIPLSS-LLVKDONJSA-N 320.483 4.620 30 20 DJED Cc1noc(C)c1N/C(O)=N/C1CCC2(CCCCC2)CC1 329937663 DRJFHTCADOKVBA-UHFFFAOYSA-N 305.422 4.510 30 20 DJED CCCc1cccc(C(C)C)c1N/C(O)=N/C[C@]1(C)CCOC1 330987516 QNOPWVXFCFPTSQ-IBGZPJMESA-N 318.461 4.515 30 20 DJED CC1CCC(C/N=C(/O)c2ccc(Cl)c(N)c2Cl)CC1 330990119 YCWHRJGMOVYRGG-UHFFFAOYSA-N 315.244 4.707 30 20 DJED Cc1cc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c(C)s1 341756054 BSXAOAOVYPSNAR-ORAYPTAESA-N 310.466 4.965 30 20 DJED C[C@H](Nc1cccc(OCCCC#N)c1)c1ccc(Cl)cn1 359620230 QOWDDLAVYOEJNS-ZDUSSCGKSA-N 315.804 4.591 30 20 DJED Cc1nc(-c2cc([C@H](C)NCCCCC#N)cs2)cs1 361112673 IWERQCSVBVUQRF-NSHDSACASA-N 305.472 4.525 30 20 DJED CC[C@@H](CC(=O)Nc1ccc(F)cc1C#N)c1ccc(C)cc1 433967666 MPFSAWJODMDTFV-AWEZNQCLSA-N 310.372 4.528 30 20 DJED C=CCN(CCc1ccccc1)C(=O)Nc1ccc2ccoc2c1 443386757 NAYVVPDSVYBPAA-UHFFFAOYSA-N 320.392 4.695 30 20 DJED C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1Cl 453250655 YIAODWUJMUJMIJ-ZMZPIMSZSA-N 314.791 4.689 30 20 DJED C=CCCC(=O)NC1(c2ccc(C(F)(F)F)cc2)CCCC1 504821685 QEUHMCHBVJLYFO-UHFFFAOYSA-N 311.347 4.557 30 20 DJED N#CCCCC[S@@](=O)Cc1ccc(C2CCCCC2)cc1 505718895 GYXRRIHTCMLTHP-OAQYLSRUSA-N 303.471 4.677 30 20 DJED C=CCC[C@H](N[C@@H]1CCc2ccc(OC)cc21)c1ccccc1 537949009 OPLMEXMSBOPUHY-LEWJYISDSA-N 307.437 4.980 30 20 DJED CC[C@@H](C)n1ncc(N[C@H]2CCc3ccc(C#N)cc32)c1C1CC1 558506096 UFQWPWUYQVIJBT-ACJLOTCBSA-N 320.440 4.703 30 20 DJED C[C@@H](C#N)CSc1ccccc1N[C@H](C)c1cccc(C#N)c1 600847548 VDRNUWNOQNJVCW-LSDHHAIUSA-N 321.449 4.983 30 20 DJED CC(C)Oc1ccc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1 618807730 WEDYLAAWPHPEIK-VFNWGFHPSA-N 320.436 4.684 30 20 DJED CCCc1ccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1 620058231 PUPQZZOHIUYKBA-SFHVURJKSA-N 314.388 4.677 30 20 DJED COc1ccc2cc(/C=C/C(=O)c3ccc(O)c(F)c3)ccc2c1 728438938 RCKOSBXXGKVEGT-FPYGCLRLSA-N 322.335 4.589 30 20 DJED CCC/C(C)=C\C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739595948 OBJIEEYUVMEPGW-UVTDQMKNSA-N 324.449 4.649 30 20 DJED CCCCCCCCC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 739632902 ZFSADSIYMMDLPL-GOSISDBHSA-N 319.445 4.543 30 20 DJED Cc1ccc2c(CSc3ccccc3C#N)cc(=O)oc2c1C 741735446 IYNUNERDAZPRLE-UHFFFAOYSA-N 321.401 4.574 30 20 DJED CC(/C=C/C(=O)c1ccc(-n2cccn2)cc1)=C\c1ccccc1 750905021 LGLORVMWTGLDDL-NZOAFPJWSA-N 314.388 4.715 30 20 DJED C#CCCCNC(=O)c1cc(Cl)ccc1SC1CCCC1 754318309 CGFLRAHLAUIJHV-UHFFFAOYSA-N 321.873 4.518 30 20 DJED Cc1ccc2cc(C(=O)/C=C/c3cnc4c(C)cccn34)oc2c1 754830656 ULVVTPAHVZGDOV-BQYQJAHWSA-N 316.360 4.593 30 20 DJED Cc1cc(OC(=O)C[C@H](CC#N)c2ccccc2)ccc1Cl 796517515 VNUWJNFRMPMVFC-HNNXBMFYSA-N 313.784 4.641 30 20 DJED CCCC[C@H](C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 800385941 FTGKYZZDXRUAQX-CMPLNLGQSA-N 320.845 4.952 30 20 DJED C#CC[C@H](N[C@@H](CC)c1cccc(Cl)c1O)c1ccccc1 806149128 PNJCKGJVNILVMS-ROUUACIJSA-N 313.828 4.851 30 20 DJED N#C[C@H](C(=O)CCC1CCCCC1)c1cc(C(F)(F)F)ccn1 813211837 RMVPDVRBVGJKNM-AWEZNQCLSA-N 324.346 4.637 30 20 DJED CC(C)[C@H](Cc1ccccc1)NN=C1CCC[C@H]1C(C)(C)C#N 814906800 KHYXQBILEAGKJZ-MJGOQNOKSA-N 311.473 4.549 30 20 DJED O=C(/C=C\c1c(Cl)ccc(Cl)c1Cl)c1ccncc1 818194617 LHHNSYUMXXPNOF-RJRFIUFISA-N 312.583 4.938 30 20 DJED C=CCCC[C@@H](C)NC(=O)c1c(Cl)cccc1C(F)(F)F 889873697 KRMUITBMVJFTNT-SNVBAGLBSA-N 319.754 4.833 30 20 DJED CCCOc1ccc(/C=C\C(=O)c2ccc(F)c(F)c2)cc1 916127546 HJHZGVCRVISGFX-YHYXMXQVSA-N 302.320 4.650 30 20 DJED C[C@H]1C[C@@H](C)C[C@H](C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 1126564148 FLXDRCHCRIEAOV-PJXYFTJBSA-N 324.346 4.588 30 20 DJED CC(C)c1ccc2c(c1)CN([C@@H](C)c1ccc(C#N)cc1)CC2 1171815845 XHXUNAPQIHXYFM-INIZCTEOSA-N 304.437 4.801 30 20 DJED CSc1ccc(Cl)c(NCc2ccc(C#N)c(C)c2)c1 1203106315 WLLKNOCOQRHTGE-UHFFFAOYSA-N 302.830 4.854 30 20 DJED CC(C)(C)c1ccc(C#N)c(NC2CC(C)(c3ccccc3)C2)n1 1307107755 ZPXNNJIOMCOVDS-UHFFFAOYSA-N 319.452 4.783 30 20 DJED CC(=O)c1ccc(CSc2ccc(C#N)cc2Cl)cc1 1307317268 FVXACICVRTUTDA-UHFFFAOYSA-N 301.798 4.707 30 20 DJED C=C(Br)CN1CC[C@H](C)C[C@@H]1c1ccc(CC)o1 1307498175 GTEWDLOJCCZPHD-SMDDNHRTSA-N 312.251 4.524 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC[C@H](C(C)C)CC1 1310382435 ROEPREKEYGLAQL-DLBZAZTESA-N 313.445 4.593 30 20 DJED CCCC[C@@H](C)N(CCCC)C(=O)c1cccc(C#N)c1C 1436423171 CWDNZCRVYWYKMG-OAHLLOKOSA-N 300.446 4.688 30 20 DJED CCn1c(S[C@H](C)c2cccc(C#N)c2)nc2ccccc21 1472906532 NJHDRVJKFBCQOW-CYBMUJFWSA-N 307.422 4.781 30 20 DJED CN(C(=O)c1csc(C#N)c1)c1ccc(-c2ccccc2)cc1 1533363649 JBLFOKPNGLXCNO-UHFFFAOYSA-N 318.401 4.563 30 20 DJED CC(C)Cc1ccccc1C(=O)O[C@H](C)c1cccc(C#N)c1 1544194265 JJAPAKIOEBLJMH-OAHLLOKOSA-N 307.393 4.675 30 20 DJED Cc1ccc2sc(SCc3ccc(F)c(C#N)c3)nc2c1 1614980524 AIVFYFSADBHOAZ-UHFFFAOYSA-N 314.410 4.908 30 20 DJED C[C@@H]1C[C@@H](CCNC(=O)Nc2ccc(C#N)cc2)CC(C)(C)C1 1622711828 GPHRKRRUOMOTGQ-GDBMZVCRSA-N 313.445 4.532 30 20 DJED CC(C)c1ccc2c(c1)[C@@H](Nc1ncc(C#N)cc1F)CCC2 1639732110 BZWILMOOUPUFCT-SFHVURJKSA-N 309.388 4.705 30 20 DJED Cc1cc(C)c2nc(NCc3ccc(C#N)c(F)c3)sc2c1 1640029580 SBGNFOVRAQBOIO-UHFFFAOYSA-N 311.385 4.536 30 20 DJED N#Cc1cc(Cl)ccc1CNC1(Cc2ccccc2)CCCC1 1642665746 YVPVUHUAUHXTNS-UHFFFAOYSA-N 324.855 4.857 30 20 DJED Cc1ccc2c(c1)[C@H](Nc1ncc(Cl)c(C)c1C#N)CCC2 1642740709 RSFMBJIAILDKRL-QGZVFWFLSA-N 311.816 4.713 30 20 DJED C[C@@H](NCc1cccc(C#N)c1F)C1(c2ccccc2)CCCC1 1642751240 PDOIDGSUGOTZIZ-MRXNPFEDSA-N 322.427 4.687 30 20 DJED N#Cc1ccc(Oc2ccc(Nc3cncc(Cl)n3)cc2)cc1 1650695908 IQCJKYCAXITUHM-UHFFFAOYSA-N 322.755 4.538 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1N[C@H]1CC12CCCCC2 1651695421 JXRBZLAKSHIZRY-HNNXBMFYSA-N 311.816 4.895 30 20 DJED CCN(CCC(C#N)(c1ccccc1)c1ccccc1)C(C)C 1653189993 AAPXZZFMMHYKLX-UHFFFAOYSA-N 306.453 4.617 30 20 DJED CCCCc1ccc(N(C)C(=O)Nc2cccc(C#N)c2)cc1 1666934254 ALGQVWBNUDHRRJ-UHFFFAOYSA-N 307.397 4.569 30 20 DJED CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)Nc2cccc(C#N)c2)CC1 1667575295 STPUIYYOPPMTMB-HZPDHXFCSA-N 313.445 4.675 30 20 DJED COc1cc(OC)c(C(=O)/C=C/c2sccc2C)cc1Cl 23165025 KATNVKQIUSBBAC-SNAWJCMRSA-N 322.813 4.623 30 20 DJED C[C@@H](Nc1ccc(CC#N)cc1)c1cccc(Br)c1 37071465 KXKVDWLAYFCTQQ-GFCCVEGCSA-N 315.214 4.688 30 20 DJED N#Cc1ccc(CN[C@H](c2ccc(F)cc2)C2CCCC2)cc1 62422104 SETUYOSUYCQKLA-FQEVSTJZSA-N 308.400 4.718 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccsc1 77687525 MISDRMUYXHWUJM-UHFFFAOYSA-N 310.403 4.601 30 20 DJED N#CCCSc1ccccc1NCc1ccc(F)cc1F 84919142 OHKDZAJWFZAYLY-UHFFFAOYSA-N 304.365 4.583 30 20 DJED CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(C(C)(C)C)cc2)cc1 96767431 LIQYZKQGIZHRDO-AUWJEWJLSA-N 321.420 4.839 30 20 DJED COc1cccc(CNc2ccccc2SC[C@@H](C)C#N)c1 108354436 LUZXTVXFNSNZIU-AWEZNQCLSA-N 312.438 4.559 30 20 DJED C#CCCCCC(=O)N(C)Cc1ccccc1-c1ccccc1 119775790 UBGVPCQXGXHGBX-UHFFFAOYSA-N 305.421 4.506 30 20 DJED Cc1cccc([C@@H]2CCCN2Cc2ccccc2C(C)(C)C#N)n1 135293082 PVUBZZZHSOFVCA-FQEVSTJZSA-N 319.452 4.528 30 20 DJED CC(C)(C#N)CCC[S@](=O)Cc1c(Cl)cccc1Cl 177113214 XXVWVAQRIGZOLC-IBGZPJMESA-N 318.269 4.572 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@@H]1C=CCCC1 187794334 DTAOWZDVVMRDLK-LSDHHAIUSA-N 314.454 4.766 30 20 DJED O=C(/C=C\c1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 213892720 ZNMGBDWUZYEUIM-SDQBBNPISA-N 303.317 4.644 30 20 DJED C#CC[C@H](N[C@H]1CCSc2ccc(OC)cc21)c1ccccc1 276082137 BLCQKHSQGIUZDX-OALUTQOASA-N 323.461 4.586 30 20 DJED CC(C)(C#N)c1ccccc1CNc1ccc([C@H]2CCOC2)cc1 297897843 VXUYOXGXOIMWNV-SFHVURJKSA-N 320.436 4.604 30 20 DJED CC(C)Oc1cccc([C@@H](C)Nc2c(F)cc(C#N)cc2F)c1 303055809 WPRZUJLDMCXIDN-GFCCVEGCSA-N 316.351 4.797 30 20 DJED CC[C@H](N[C@H](C)c1ccc(OCC#N)cc1)C1CCCCC1 315398558 GYLUZSKJCPOMSC-BEFAXECRSA-N 300.446 4.598 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1ccc(C(F)F)cc1 338617432 LDYHUEPIUVTVNV-UHFFFAOYSA-N 307.365 4.514 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C(C)C)oc1C 349140815 JPJRYQXKQWZNOO-UHFFFAOYSA-N 324.424 4.636 30 20 DJED CC1(C#N)CCC(Nc2cc(Cl)ccc2OC(F)F)CC1 424315772 MLLPCHISOLXSAQ-UHFFFAOYSA-N 314.763 4.826 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C1 436308077 SNBDRJHOSVQEBA-QIJZBDPFSA-N 322.374 4.623 30 20 DJED Cc1csc(-c2ccc(NCc3ccc(C#N)c(C)c3)cc2)n1 444002902 LIFJXVDQSJPDNA-UHFFFAOYSA-N 319.433 4.911 30 20 DJED C=CC[C@@H]1N(C(=O)c2cc3cccnc3s2)CCCC1(C)C 451218663 SBYNIQQXOFWIQT-HNNXBMFYSA-N 314.454 4.503 30 20 DJED CC(C)C[C@@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)c1ccccc1 461740045 ISYSDGJHIZZKKD-OXJNMPFZSA-N 320.436 4.565 30 20 DJED CC#CCCCC(=O)N(CC)Cc1ccc(Cl)c(Cl)c1 464441445 NWHQCEYDHMQOEH-UHFFFAOYSA-N 312.240 4.536 30 20 DJED CN(C(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1C#N 479691381 VOHXAVFFYPBBPH-UHFFFAOYSA-N 312.372 4.502 30 20 DJED CC[C@](C)(C#N)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 506746711 IOTPLFJWQIQEOA-QGZVFWFLSA-N 320.820 4.540 30 20 DJED C=C(C)CCc1noc(-c2csc(-c3ccc(F)cc3)n2)n1 508593646 GPTOCQMMIDMLKH-UHFFFAOYSA-N 315.373 4.508 30 20 DJED C=C(C)CCc1noc([C@H](C)CC(=O)c2ccc(Cl)cc2)n1 508671491 MSXGRKMXRSKIJF-GFCCVEGCSA-N 318.804 4.608 30 20 DJED C=CCC[C@@H](NCc1cccc(OC(F)F)c1)c1ccco1 513698184 XJSOQRPQMBNHGE-OAHLLOKOSA-N 307.340 4.678 30 20 DJED COc1ccc(CNc2cc(Cl)ccc2SC)cc1C#N 532889065 ZIELTWLJHCUOIA-UHFFFAOYSA-N 318.829 4.554 30 20 DJED C=CCCCN1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 533392837 QJJQUXMEZVOQDJ-KRWDZBQOSA-N 311.473 4.763 30 20 DJED C[C@@H](NCc1cc2ccccc2o1)c1ccc(C#N)cc1Cl 559457327 DYVXXUPFWBZOCG-GFCCVEGCSA-N 310.784 4.809 30 20 DJED Cc1cc(CNCc2ccc(-c3ccco3)cc2F)ccc1C#N 560024327 CZIJSTPOPWSNOC-UHFFFAOYSA-N 320.367 4.556 30 20 DJED Cc1cc(NC(=O)N2CCC(CCC#N)CC2)cc(C)c1Cl 574636325 YBAHYDQFIBXAGS-UHFFFAOYSA-N 319.836 4.505 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc(-c2ccccn2)cc1 579339520 VFNUZCBOADDTHF-UHFFFAOYSA-N 323.440 4.959 30 20 DJED C=CCC(F)(F)c1nc(-c2ccc(SC)cc2Cl)no1 580907337 FZOYRHCEQMTLLC-UHFFFAOYSA-N 316.760 4.780 30 20 DJED C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(C(F)F)nc1 595021675 DMBVQVMEVUEWCL-XJKSGUPXSA-N 315.367 4.715 30 20 DJED C[C@H](NC(=O)CC1(C#N)CCCCC1)c1ccc(F)cc1Cl 597266733 IEQZPLMGMWTAFY-LBPRGKRZSA-N 322.811 4.520 30 20 DJED CCSc1cccc(F)c1N[C@@H](C)c1cccc(C#N)c1 600852991 CUKWYAQYRDZVKW-LBPRGKRZSA-N 300.402 4.982 30 20 DJED CC[C@H](C)[C@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1 604419120 LHPRLZKWRRJAOT-IRXDYDNUSA-N 322.452 4.661 30 20 DJED C=CCCCCCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 606814537 MYSWOSWKKHJWLA-DLBZAZTESA-N 305.849 4.648 30 20 DJED Cc1c(Cl)cccc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 683807038 FESGQXUPJNEADR-HNNXBMFYSA-N 320.779 4.687 30 20 DJED C[C@@H](OC(=O)/C=C/c1ccc(Cl)cc1)c1cccc(C#N)c1 727640842 VJBLNLOHBIMCLK-UTSBKAFOSA-N 311.768 4.529 30 20 DJED CCCOc1ccc(/C=C\C(=O)c2sccc2C)cc1OC 733749371 LYCBWVBJJHRILG-ALCCZGGFSA-N 316.422 4.750 30 20 DJED CC(=NNc1cnnc2ccccc12)c1ccc(C(C)(C)C)cc1 733750375 WKGBRNFGJWNWOE-UHFFFAOYSA-N 318.424 4.763 30 20 DJED Cc1ccccc1C(=NNc1cccc(C(F)(F)F)n1)C1CC1 739422850 ZAMUZPKQXHPRLY-UHFFFAOYSA-N 319.330 4.635 30 20 DJED N#Cc1ccc(F)c(CNCc2ccccc2-c2ccccc2)c1 742381823 LQNICMGPPGTLCM-UHFFFAOYSA-N 316.379 4.654 30 20 DJED COc1ccc(/C=C2\C(=O)c3ccsc3S[C@H]2C)cc1 742437773 XKAFREXZDFKPKD-ADVUTCEVSA-N 302.420 4.517 30 20 DJED C[C@H](C(=O)Oc1ccc(C#N)cc1)c1c(Cl)cccc1Cl 751041451 WSGVJBZMYSHJQF-JTQLQIEISA-N 320.175 4.574 30 20 DJED Cc1ccc2cc(C(=O)/C=C/c3ccc4c(c3)ncn4C)oc2c1 754823481 CKGIELDSAUIUTK-VMPITWQZSA-N 316.360 4.524 30 20 DJED CN1N=C(CCC2CCCC2)CS/C1=N\Cc1ccccc1 763364196 VXJLXYIAAFRDNM-HNENSFHCSA-N 315.486 4.548 30 20 DJED CC[C@H](C#N)Oc1cccc(CNC[C@H](CC)c2ccccc2)c1 767371079 JXNHSIPYJCFFSX-AZUAARDMSA-N 322.452 4.651 30 20 DJED Cc1[nH]c2ccccc2c1C(=O)/C=C\c1nc2c(s1)CCCC2 776263134 APPBHMXTMDWQTA-KHPPLWFESA-N 322.433 4.708 30 20 DJED O=C(/C=C\c1csc([N+](=O)[O-])c1)c1cc2ccccc2s1 780189108 TUFPNWIKPWRRJA-WAYWQWQTSA-N 315.375 4.767 30 20 DJED FCCC[C@@H]1CCCC1=NNc1ncc(Cl)cc1Cl 800807272 QOVDBCKNZFVPIG-VIFPVBQESA-N 304.196 4.706 30 20 DJED N#CC[C@@H](CC(=O)O[C@H]1C[C@@H](c2ccccc2)C1)c1ccccc1 809105023 YOHNVNKTCBKBCA-SLFFLAALSA-N 319.404 4.563 30 20 DJED COc1cc(/C=C2/C(=O)c3ccccc3[C@H]2C)ccc1SC 809159402 OUDDWWFQBWMYOY-HMHNVIDESA-N 310.418 4.801 30 20 DJED FC(F)(F)c1cnc(NN=C2CC[C@H]2C2CCC2)c(Cl)c1 814697437 OAHQQCOGIBEQJJ-JTQLQIEISA-N 317.742 4.732 30 20 DJED CCc1cnc(C=NN=C2c3ccccc3-c3ccccc32)s1 814779028 DMMCAYZYMMSRDN-UHFFFAOYSA-N 317.417 4.557 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1ccccc1COC(C)(C)C 932543266 VTZJYCPDJPREOH-MRXNPFEDSA-N 316.445 4.574 30 20 DJED CC(C)(C)n1cc(C#N)cc1NC(=O)CCC1CCCCCC1 1125333449 ZDRHWNHWPYTIEL-UHFFFAOYSA-N 315.461 4.804 30 20 DJED C[C@@H](C#N)CN(Cc1ccc(Sc2ccccc2)cc1)C1CC1 1180136764 LVQKVIQHHIKTRI-INIZCTEOSA-N 322.477 4.962 30 20 DJED N#CCOc1cc(F)ccc1N[C@H]1CC[C@H](Cc2ccccc2)C1 1180723738 NYXNABSNAQTBPM-AEFFLSMTSA-N 324.399 4.551 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1cscc1C(F)(F)F 1182499166 LUYHCPKHNVOCDN-LLVKDONJSA-N 324.371 4.832 30 20 DJED CC1(C)CC[C@H](CNc2c(C#N)cccc2C#N)c2ccccc21 1185820144 ZTAJJYCKYIMZCE-QGZVFWFLSA-N 315.420 4.697 30 20 DJED C[C@H](N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1cccc(C#N)c1 1193499133 YHOFXFRIPJZGGU-ZLGUVYLKSA-N 304.437 4.620 30 20 DJED Cc1cc(C#N)cc(NC(=O)C2=C(c3ccccc3)CCCC2)c1 1275796918 MGSQIOFLRFTZSU-UHFFFAOYSA-N 316.404 4.833 30 20 DJED N#Cc1ccc(CN2CC[C@H]2c2ccc(Cl)cc2)c(Cl)c1 1307764912 ZYGWRCUBXZCAPU-KRWDZBQOSA-N 317.219 4.812 30 20 DJED CC(C)c1c(N[C@@H](C)CC(C)(C)C#N)cnn1-c1ccccc1 1308735957 GSANSRYPCYTPPH-HNNXBMFYSA-N 310.445 4.736 30 20 DJED CSc1ccccc1[C@@H](C)N[C@@H]1CCc2cc(C#N)ccc21 1344579425 ISJLXVZIENFQTR-FZKQIMNGSA-N 308.450 4.618 30 20 DJED CCCCc1ccc([C@@H](NC(=O)c2ccc(C#N)o2)C(C)C)cc1 1352324966 GGPYUIQAQCGKFY-IBGZPJMESA-N 324.424 4.621 30 20 DJED Cc1sc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c(C#N)c1C 1353587205 QSWAILLIMSLTMB-QLFBSQMISA-N 316.470 4.782 30 20 DJED CC[C@@H](C(=O)N(CC(C)C)c1ccc(C#N)cc1)c1ccccc1 1355420364 SLFHZBJLJNDTTD-HXUWFJFHSA-N 320.436 4.741 30 20 DJED CC[C@@H]1CCCCN1C(=O)Nc1scc(C(C)(C)C)c1C#N 1466647356 SXVUXIFIUJFHPW-GFCCVEGCSA-N 319.474 4.714 30 20 DJED CCCOc1ccccc1[C@@H](CC(C)C)Nc1cccc(C#N)n1 1472719315 DZFBOSHBOJLJCC-GOSISDBHSA-N 323.440 4.941 30 20 DJED CCN(C[C@@H](C)c1ccc(OC)cc1)[C@H](C)c1ccc(C#N)cc1 1473117902 QWXVPAQHFBTIRF-IAGOWNOFSA-N 322.452 4.753 30 20 DJED Cc1csc(NC(=O)N[C@H]2CCCCC23CCCC3)c1C#N 1476558591 DDZXKFYDEPKISR-AWEZNQCLSA-N 317.458 4.553 30 20 DJED CC(C)C[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C#N)CCCCC2 1521564163 KHTVEPPPVXDESW-TZMCWYRMSA-N 316.470 4.509 30 20 DJED CCC[C@@](C)(CC)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1522383063 UAMBBUPGWXMFAY-LJQANCHMSA-N 316.445 4.890 30 20 DJED Cc1cccc2nc([C@@H](C#N)C(=O)[C@H](C)CC3CCCCC3)[nH]c12 1523852129 KIAGTJFZQNFTLH-ZBFHGGJFSA-N 323.440 4.654 30 20 DJED CCc1nc(C#N)cc(N[C@@H](c2ccccc2)C2CCCCC2)n1 1559069353 MVCIGHMZXUTUGI-FQEVSTJZSA-N 320.440 4.644 30 20 DJED CC(C)O[C@H](CSc1cccc(F)c1C#N)c1ccccc1 1641163253 ZNDDPJFZVUSCJI-QGZVFWFLSA-N 315.413 4.956 30 20 DJED CC(C)(C#N)CCN(Cc1ccc(F)cc1F)C1CCCC1 1642199354 CWBGNWNOYMTMRA-UHFFFAOYSA-N 306.400 4.649 30 20 DJED Cc1cc(CN(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)ccc1C#N 1652053597 BKHSTLBZRNGXDB-YWZLYKJASA-N 320.436 4.748 30 20 DJED Cc1nc(NCc2ccc(C#N)c(F)c2)ccc1-c1ccccc1 1652570794 YHNXZRHTTORFNO-UHFFFAOYSA-N 317.367 4.680 30 20 DJED N#Cc1cccc(CN2CCC[C@@H]2CCCc2ccccc2)c1 1652899699 JSRSWIILUMGWIO-NRFANRHFSA-N 304.437 4.546 30 20 DJED N#Cc1nc(N[C@H]2CC[C@H](c3ccc(F)cc3)C2)sc1Cl 1655443738 UOGPZTJSAWLMDI-JQWIXIFHSA-N 321.808 4.555 30 20 DJED C[C@H](CCC#N)CN1CCC(c2ccccc2C(F)(F)F)CC1 1657180449 ZJJZBXMOGWXUSL-CQSZACIVSA-N 324.390 4.825 30 20 DJED CCc1ccc(CN(Cc2ccc(C#N)c(C)c2)C2CC2)cc1 1659325513 IPZLXFNXKUYNRN-UHFFFAOYSA-N 304.437 4.594 30 20 DJED CCCCCC1=CCCC1=NNc1ccc(F)c(C(=O)O)c1 1776061678 JGADFZPBOYUNTR-UHFFFAOYSA-N 304.365 4.592 30 20 DJED C=CC[C@]1(C(=O)O)CCN(CCCCCCCCCC2CC2)C1 1776159873 FISZUJRTHLHOFQ-FQEVSTJZSA-N 321.505 4.870 30 20 DJED CCCCc1ccc(NC(=S)Nc2cccc(C#N)c2)cc1 7517810 SCAKZRSGKOKDOE-UHFFFAOYSA-N 309.438 4.710 30 20 DJED O=C(/C=C/c1ccccc1C(F)(F)F)c1cc(F)ccc1F 7717566 UFTZENXKXVZION-VMPITWQZSA-N 312.237 4.880 30 20 DJED CC[C@H](C)Sc1ccc(NC(=O)N(CC)CCC#N)c(C)c1 80185878 NEEUBWZACSYHAA-AWEZNQCLSA-N 319.474 4.653 30 20 DJED CC(C)n1c(-c2ccc(O[C@H](C)C#N)cc2)nc2ccc(F)cc21 154934932 DAXBJFLERQNNGI-CYBMUJFWSA-N 323.371 4.714 30 20 DJED CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccccc2C)c1 159631995 HFUAXKSZYBYJPE-SJLPKXTDSA-N 308.425 4.527 30 20 DJED C[C@H](CC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1F 171154931 PLPNACKCGBSUSE-CQSZACIVSA-N 324.399 4.759 30 20 DJED N#Cc1ccccc1SCc1ncc(-c2ccc(F)cc2)o1 172680026 QHMHRVFEUSZDQK-UHFFFAOYSA-N 310.353 4.645 30 20 DJED CC(C)(C)Oc1ccc(NC(=O)Nc2ccc(CC#N)cc2)cc1 174713985 HBNQWDREASNXOV-UHFFFAOYSA-N 323.396 4.574 30 20 DJED CC(C)(C#N)CCCNC(C)(C)c1ccccc1Br 181514555 DFXRYHKZUYKGBP-UHFFFAOYSA-N 323.278 4.604 30 20 DJED C=C(C)[C@H](NCc1ncc(C(C)C)s1)c1ccc(F)c(F)c1 187375275 YKZFZZYHTIATNM-KRWDZBQOSA-N 322.424 4.952 30 20 DJED N#Cc1ccc(CNc2ccc3nc(C4CC4)sc3c2)c(F)c1 195733757 JCZACRMDUJDMSS-UHFFFAOYSA-N 323.396 4.797 30 20 DJED Cc1ccsc1C=NNc1nc(Cl)c(Cl)cc1Cl 254315587 ATZUXYPQKXMKII-UHFFFAOYSA-N 320.632 4.858 30 20 DJED aggregator C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)C(C)(C)C 265330302 WDTSGBXLJQAXJN-QWHCGFSZSA-N 304.459 4.559 30 20 DJED COc1ccc(N=C(O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)cc1O 329491191 VINRQBJHLOKLKI-NWANDNLSSA-N 303.402 4.595 30 20 DJED C=CCCC1(C(=O)N[C@H]2CCCc3sc(Cl)cc32)CC1 344602959 JELDHOBOYFJMRR-LBPRGKRZSA-N 309.862 4.642 30 20 DJED C=CCN(CC=C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H](C)CC 466071624 WMCIHAQAQUTXCH-RHSMWYFYSA-N 320.864 4.811 30 20 DJED CC(C)(C#N)CCCN1CCC(c2cccc(Cl)c2)CC1 483110890 YWXAQDKHKQGDFS-UHFFFAOYSA-N 304.865 4.849 30 20 DJED C=C(C)COc1cccc(NCc2scnc2C2CC2)c1 487259102 GAKQMMZLLZVZIG-UHFFFAOYSA-N 300.427 4.588 30 20 DJED CC(C)(C#N)CC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 498291041 DSBOLTWMSNQFLT-MRXNPFEDSA-N 318.848 4.724 30 20 DJED CC[C@H](CC(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 504414290 BVORUNCIDTUQOF-CQSZACIVSA-N 312.438 4.759 30 20 DJED C=CCN(Cc1cccs1)Cc1conc1Cc1ccccc1 507012593 JWRAUMBRCPRLAK-UHFFFAOYSA-N 324.449 4.515 30 20 DJED CCCC(CCC)C(=O)Nc1cccc(OCCCC#N)c1 509694409 USGCAXQBNSIJEV-UHFFFAOYSA-N 302.418 4.524 30 20 DJED CC(C)[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)c1ccccc1 522408819 UGMFFMPSFFMHLQ-OAHLLOKOSA-N 319.330 4.781 30 20 DJED N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H]1C1CCCCC1 522409201 DGTYDQJRQOTKBK-CQSZACIVSA-N 323.362 4.521 30 20 DJED Cc1ccc(C#N)cc1NC(=O)C1(c2cccs2)CCCCC1 531071343 FGSYQHPXTFWYTL-UHFFFAOYSA-N 324.449 4.769 30 20 DJED N#CCc1ccc(-c2nc(-c3cccc4ccccc34)no2)cc1 533957154 SXWKKXOXRRJANS-UHFFFAOYSA-N 311.344 4.623 30 20 DJED Cc1ccccc1-c1cnc(COc2ccc(C#N)cc2Cl)o1 534527394 JOHSWWQKZNIBAZ-UHFFFAOYSA-N 324.767 4.754 30 20 DJED N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(Cl)s1 537623117 WXHLSJVKDDEHQJ-JKSUJKDBSA-N 316.857 4.673 30 20 DJED N#Cc1cccc(CNc2cccc(OC3CCCC3)c2)c1F 539310721 JDWYJGZYHXWWCN-UHFFFAOYSA-N 310.372 4.631 30 20 DJED CC[C@H](NCc1cc(C#N)ccc1OC)c1ccc(Cl)s1 542558906 FYPCWJAOOKQWCN-ZDUSSCGKSA-N 320.845 4.523 30 20 DJED N#Cc1cccc(COc2cccc(NCCCCCF)c2)c1 550983567 SZRACWACNFFZKZ-UHFFFAOYSA-N 312.388 4.689 30 20 DJED CC1(C)C[C@H](N[C@@H]2CCc3ccc(C#N)cc32)c2ccccc21 569514276 WMFCDNUXWDEZFQ-UXHICEINSA-N 302.421 4.558 30 20 DJED CCc1cccc2cc(CN[C@H](C)c3cccc(C#N)c3)oc12 594929998 RIGCEMOGCNTXFN-CQSZACIVSA-N 304.393 4.718 30 20 DJED N#Cc1ccc(F)c(CSCc2cccc(OC(F)F)c2)c1 609237339 MPVSPYCAFHMFGP-UHFFFAOYSA-N 323.339 4.732 30 20 DJED CC(C)c1cnc(S[C@@H](C#N)Cc2ccccc2)n1C(C)C 610034154 VNRCDLUDAAUSHX-MRXNPFEDSA-N 313.470 4.814 30 20 DJED C=CCn1c([C@H](C)CC)nnc1N1CCC[C@@H]1c1ccccc1C 685546036 IRFXZKJEEIHTMD-CRAIPNDOSA-N 324.472 4.628 30 20 DJED C=CCN(C(=O)N[C@@H](C)c1cc2ccccc2s1)C(C)C 730677199 LJXCYRIDMDUAPU-ZDUSSCGKSA-N 302.443 4.568 30 20 DJED Cc1cccc(-c2n[nH]cc2/C=C2/Cc3ccc(C)cc3C2=O)c1 730948277 BCAVMIKPUIAASV-BOPFTXTBSA-N 314.388 4.516 30 20 DJED O=C(/C=C\c1ccc(OC(F)F)c(Cl)c1)c1ccsc1 731489292 BQUKIUUULKBIKL-IWQZZHSRSA-N 314.740 4.899 30 20 DJED C=C(Br)CN(C)[C@@H](C)c1cccc(C(F)(F)F)c1 746653989 XINPEHRZZUAOET-JTQLQIEISA-N 322.168 4.607 30 20 DJED C=CCC[C@H](NC(=O)C=C1CCC1)c1ccc(C(F)(F)F)cc1 749943576 KKRHBMZWGQGTMC-INIZCTEOSA-N 323.358 4.939 30 20 DJED N#Cc1c(F)ccc(/C=C\C(=O)c2c[nH]c3ccccc23)c1Cl 761479103 WZGZZBJVNQTYIS-VURMDHGXSA-N 324.742 4.728 30 20 DJED CC#CCCCC(=O)O[C@H](c1cccc(Cl)c1)C(F)(F)F 767103486 SJOYMKGHVLAKKO-CQSZACIVSA-N 318.722 4.680 30 20 DJED Cc1c(Cl)cccc1NC(=S)Nc1cccc(C#N)c1C 769794603 FPPFUVVDYHMIBO-UHFFFAOYSA-N 315.829 4.637 30 20 DJED C[C@@H]1CC[C@@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 776301723 XNFLHKVIOIQDJW-XFQXTVEOSA-N 318.420 4.717 30 20 DJED CC1(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)CCCCC1 797567645 KOPCRCGPZSZGMD-LBPRGKRZSA-N 304.459 4.587 30 20 DJED O=C(/C=C/c1cscc1C(F)(F)F)c1ccc(F)cc1 811685398 QPZAKYXGJQNNEG-ZZXKWVIFSA-N 300.276 4.802 30 20 DJED CCCCc1ccc(C(=O)/C=C/c2cn(C)nc2C(F)F)cc1 812241523 JJDZERITNXHMAY-ZHACJKMWSA-N 318.367 4.596 30 20 DJED CC(=NNc1cccc(Cl)c1F)c1ccc(Cl)c(N)c1 814818953 QTEOQOHPJJWBOI-UHFFFAOYSA-N 312.175 4.551 30 20 DJED CCC[C@@H]1CCC[C@H]1C(=O)[C@H](C#N)c1ccc2ccccc2n1 835042651 WPPFFEYEGUUNFW-DJIMGWMZSA-N 306.409 4.627 30 20 DJED C=CC[C@@H](NC(=O)C[C@H](C)CCC=C(C)C)c1ccncc1 843548662 HBXFEXMKUSMKDS-SJLPKXTDSA-N 300.446 4.588 30 20 DJED N#CCC[C@@H](C#N)CSc1nc(C2CCCCC2)cs1 865396352 PFOAATKXDPBWCU-LBPRGKRZSA-N 305.472 4.726 30 20 DJED COc1ccccc1-c1ccc([C@H](C)NCC(C)(C)C#N)cc1 903099953 DJAUXHLVSOHVEZ-HNNXBMFYSA-N 308.425 4.563 30 20 DJED Cc1cc([C@H](C)/N=C\c2cc3ccccc3nc2O)c(C)s1 914701439 IHVYCNMEARJHKV-ZTPSMGMTSA-N 310.422 4.799 30 20 DJED O=C(/C=C\c1c(F)cccc1F)c1cccc(C(F)(F)F)c1 916136888 BRKJPPAESRBVFY-FPLPWBNLSA-N 312.237 4.880 30 20 DJED CCOc1ccc(C=Nc2ccc(C(F)(F)F)cc2)c(O)c1 920942597 LGYFNPDWHLNTTM-UHFFFAOYSA-N 309.287 4.560 30 20 DJED N#Cc1ccc(CCN2CCC[C@H]2c2ccccc2Cl)cc1 1167085777 VXYKGKNGKYJOCR-IBGZPJMESA-N 310.828 4.591 30 20 DJED N#Cc1cccc(CN2CCC(Cc3ccc(Cl)cc3)CC2)c1 1175444885 QFNVIFJIUKDYGZ-UHFFFAOYSA-N 324.855 4.666 30 20 DJED Cc1ccc(CNC(=O)CC2(C#N)CCCCC2)c2ccccc12 1181381371 OMPUXWBLLYFRBJ-UHFFFAOYSA-N 320.436 4.629 30 20 DJED N#Cc1c(F)cccc1N1CC=C(c2ccccc2Cl)CC1 1185847989 ISWAERZBZHXZEH-UHFFFAOYSA-N 312.775 4.644 30 20 DJED Cc1ccccc1SC[C@@H](C)CN1CCCC(C)(C)[C@H]1C#N 1194101485 MITFIMLBLFWKMF-MAUKXSAKSA-N 316.514 4.737 30 20 DJED COc1cc(C#N)ccc1CN(C(C)C)[C@@H](C)c1ccccc1 1194816928 MUDBGTVMPRIMFA-INIZCTEOSA-N 308.425 4.538 30 20 DJED C[C@@H]1C[C@H](CC(=O)OCc2cc(C#N)ccc2F)CC(C)(C)C1 1265727453 KGLBKQQWQXDEKX-UKRRQHHQSA-N 317.404 4.593 30 20 DJED CCC(CC)CN(CCC#N)CCc1ccc(F)cc1Cl 1308589422 FHKPQXFTBRCYAX-UHFFFAOYSA-N 310.844 4.673 30 20 DJED CC[C@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)C1CCC(C)CC1 1354184747 RZHQMRJHXWUINE-ZVKBKPGUSA-N 312.457 4.588 30 20 DJED N#Cc1cc(C(=O)N[C@@H](c2ccccc2)C2CCCCC2)cs1 1356413895 QVUYWAOUIIZGPR-SFHVURJKSA-N 324.449 4.671 30 20 DJED CC(C)CC[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)C(C)(C)C 1435172852 PIHWKCPBAOIOKM-MRXNPFEDSA-N 320.864 4.792 30 20 DJED N#Cc1ccc(C2CCN(C(=O)C3CCCCCCC3)CC2)cc1 1439709060 MBHZUKDAKHXCNZ-UHFFFAOYSA-N 324.468 4.625 30 20 DJED CC(C)C[C@@H]1CCCCN1Cc1ccc(C#N)cc1OC(F)F 1459715583 BJELNKQVNXLBAT-INIZCTEOSA-N 322.399 4.560 30 20 DJED Cc1cc(NC(=O)c2ccc(C#N)c(Cl)c2)c2ccccc2c1 1460184660 OXSWAXBHDWPFBU-UHFFFAOYSA-N 320.779 4.926 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)Cc1cccc2ccccc12 1473109153 QAADANOEQKOPCN-MRXNPFEDSA-N 300.405 4.904 30 20 DJED N#Cc1cc(Cl)ccc1CN1CC[C@H](C2CCCCC2)C1 1559977037 LCGYJENDUFIGJO-INIZCTEOSA-N 302.849 4.614 30 20 DJED CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)NCC(C)(C)CC#N 1583480155 ANLHHBVCLFZDEZ-LFDOHDQPSA-N 318.505 4.675 30 20 DJED Cc1nsc(Nc2cccc(COc3ccccc3)c2)c1C#N 1611842713 PYLOCSOGPGSNAV-UHFFFAOYSA-N 321.405 4.646 30 20 DJED CC[C@H](Nc1nc(C#N)c(Cl)s1)c1cc(F)ccc1F 1639497387 FGSJEKGNNVLPPZ-JTQLQIEISA-N 313.760 4.510 30 20 DJED CCCC[C@@H](CC)COC(=O)CSc1cccc(F)c1C#N 1642134457 KWCXNEYBIMMYLG-CYBMUJFWSA-N 323.433 4.549 30 20 DJED CC(C)Oc1cccc(COc2cc(Cl)cc(C#N)c2)c1 1643972326 LEWDWSXFRHYGJM-UHFFFAOYSA-N 301.773 4.578 30 20 DJED CCC[C@H](Cc1ccccc1)Nc1ncc(Cl)c(C)c1C#N 1655095395 LVLLINZHCJFWIN-OAHLLOKOSA-N 313.832 4.738 30 20 DJED N#CCc1cccc(NCc2cnc(-c3ccccc3F)s2)c1 1657978028 OKLPEXXXXXMWGM-UHFFFAOYSA-N 323.396 4.627 30 20 DJED C=CCc1ccccc1/C=C/c1cc(C(=O)O)c2ccccc2n1 1776189106 NVCGDTKHCSFCHM-OUKQBFOZSA-N 315.372 4.832 30 20 DJED O=C(/C=C/c1ccccc1OCc1cccnc1)c1ccccc1 44012676 XRADAPUKMZHOFI-OUKQBFOZSA-N 315.372 4.557 30 20 DJED CN(C(=O)c1cccc(C#N)c1)c1ccc(-c2ccccc2)cc1 81120452 OVWPOIWEBCQDLW-UHFFFAOYSA-N 312.372 4.502 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 158130403 ZQFKEMGCEWUCSU-UHFFFAOYSA-N 313.445 4.698 30 20 DJED C=CCC[C@H](NCc1ncc(C)c(OC)c1C)c1ccccc1 180042049 WMDNIHYWXKGUAZ-SFHVURJKSA-N 310.441 4.504 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1cc(Cl)ccc1Cl 187526031 USAZYTAOHUWYSO-UHFFFAOYSA-N 313.228 4.538 30 20 DJED N#CCCCSCc1nc(-c2c(F)cccc2F)cs1 191022002 JCYWXSDHIMIQKN-UHFFFAOYSA-N 310.394 4.625 30 20 DJED C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 193046626 IGXQHTUQGRVKDG-YOEHRIQHSA-N 313.445 4.530 30 20 DJED COc1ccc(/C=C\C(=O)c2cc3cccc(OC)c3o2)cc1C 207538023 DYKVZGASNVGZCQ-CLFYSBASSA-N 322.360 4.655 30 20 DJED C[C@H](C#N)Oc1ccc(CNc2ccc(C(C)(C)C)cc2)cc1 237583986 LOHWYTCQABPQRM-OAHLLOKOSA-N 308.425 4.887 30 20 DJED C[C@@H](C#N)Oc1ccc(CN2CCCCC[C@H]2c2ccco2)cc1 245769652 ROHFNBXRXAFVME-LPHOPBHVSA-N 324.424 4.688 30 20 DJED O=C(/C=C\c1csc(-c2ccsc2)n1)c1ccsc1 255469458 ILHGPBJGRNPPNW-UPHRSURJSA-N 303.433 4.829 30 20 DJED CC(C)(C#N)CCNc1ccc(F)cc1OCCC(F)(F)F 288678413 ILINOIBUVTXXPO-UHFFFAOYSA-N 318.314 4.509 30 20 DJED CCc1nc(C(C)C)ccc1CNc1ccccc1O[C@@H](C)C#N 297524314 DGVKTGOTCHXCNC-HNNXBMFYSA-N 323.440 4.670 30 20 DJED N#Cc1c(Cl)nsc1N1CCC[C@@H]1c1ccccc1Cl 301533984 MAZMVRZTKWRQEQ-GFCCVEGCSA-N 324.236 4.663 30 20 DJED C#Cc1cccc(NC(=O)c2ccccc2SCC=C(C)C)c1 303920655 UALYLOLMQIGZMQ-UHFFFAOYSA-N 321.445 4.979 30 20 DJED C/N=C(/O)c1cccc(N=C(O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)c1 328982142 DZKYUZDKVHHJSH-IAOVAPTHSA-N 314.429 4.816 30 20 DJED COc1cnccc1[C@H](C)/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 329094090 KJNKCBDHONHLSA-XJNFMUPTSA-N 316.445 4.714 30 20 DJED Cc1nc(C(C)C)oc1/C(O)=N/[C@H]1CCCCC12CCCC2 329196303 VTVMRILSVFPHAK-AWEZNQCLSA-N 304.434 4.914 30 20 DJED N#CCCCC(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 359848780 NOMMMNLKHQVQBI-FQEVSTJZSA-N 320.436 4.561 30 20 DJED C=CCCC1(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 361467668 YAJJZRGNXLOBMG-AWEZNQCLSA-N 321.873 4.740 30 20 DJED CC(C)c1ccsc1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425640852 UEDAONYOJWINJV-CYBMUJFWSA-N 312.438 4.576 30 20 DJED C=CCC[C@H](Nc1cncc(Br)c1)c1ccco1 428434204 JTUYYJJSAVLRHW-ZDUSSCGKSA-N 307.191 4.557 30 20 DJED CN(Cc1cccc(C#N)c1)Cc1csc(Cl)c1Cl 432749635 VHQOICAMSZEIQM-UHFFFAOYSA-N 311.237 4.559 30 20 DJED CC(C)(C#N)CCCC[S@@](=O)Cc1cccc2ccccc12 435422124 MUAWPJHBUZMYQL-JOCHJYFZSA-N 313.466 4.809 30 20 DJED C=CCC1(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CCCCC1 450154592 CXOYGEVAMRCISB-QGZVFWFLSA-N 319.489 4.511 30 20 DJED C=CCC[C@@H](NC(=O)[C@@H](CC)CC(F)(F)F)c1ccccc1 450179011 BUYQUTFZHJYVJL-DZGCQCFKSA-N 313.363 4.789 30 20 DJED C=CCn1c(SCc2c(C)cccc2Cl)nnc1C1CC1 450648094 JUTZDPQWRNBGJZ-UHFFFAOYSA-N 319.861 4.596 30 20 DJED C=C(C)CCNC(=O)Nc1cccc(COC(C)(C)CC)c1C 454931146 UHYLGWNOZVEUCP-UHFFFAOYSA-N 318.461 4.788 30 20 DJED C=CCC(CC=C)C(=O)Nc1cc(C(F)(F)F)ccc1F 467835419 SYXCODCYIPEDDU-UHFFFAOYSA-N 301.283 4.551 30 20 DJED CN(C(=O)C[C@H](CC#N)c1ccccc1)C1CCC(C)(C)CC1 476265205 OCIBJEIYAXYCBL-KRWDZBQOSA-N 312.457 4.501 30 20 DJED N#Cc1ccc(CN2CCC[C@@H]2c2ccc(Cl)cc2)c(F)c1 478113892 SWEFWIREERGMCQ-GOSISDBHSA-N 314.791 4.688 30 20 DJED C[C@H](N[C@H]1CC[C@H](c2ccc(F)cc2)C1)c1ccc(C#N)cc1 479485844 DXJMDEVMKZBMNF-DCPHZVHLSA-N 308.400 4.684 30 20 DJED Cc1sc(NC(=O)c2c(Cl)ccc(F)c2C)c(C#N)c1C 483071039 HJSYNHONKWUQFM-UHFFFAOYSA-N 322.792 4.590 30 20 DJED CCc1c(C)sc(NC(=O)[C@@H](c2ccccc2)C2CC2)c1C#N 499734623 ZJARMQINXXEZCO-KRWDZBQOSA-N 324.449 4.623 30 20 DJED Cc1ccc2c(C3=CCN(CC(C)(C)CCC#N)CC3)c[nH]c2c1 509547286 XXCSSXOHLHWQAD-UHFFFAOYSA-N 321.468 4.895 30 20 DJED CC(=O)c1c(C)cc(C)c(CSc2ccc(C#N)cc2)c1C 509665630 HECWUDNDWXZSAZ-UHFFFAOYSA-N 309.434 4.978 30 20 DJED Cc1ccc(C)c2c(C)c(C(=O)N[C@]3(C#N)CCC[C@H](C)C3)oc12 522642286 AOMMAPYPQPNANH-FKIZINRSSA-N 324.424 4.560 30 20 DJED Cc1ccccc1[C@H](NCc1ccc(F)cc1C#N)C(C)(C)C 537155502 PPQKSLIILMUDJQ-IBGZPJMESA-N 310.416 4.883 30 20 DJED C[C@@H]1Cc2ccc(F)cc2[C@@H]1Nc1cccc(OCCCC#N)c1 537424629 BGFMBUIAPWBOGL-JLTOFOAXSA-N 324.399 4.854 30 20 DJED C[C@H](NCc1ccc(C#N)s1)c1cc2cc(Cl)ccc2o1 553813460 FSPXEJYUOBKOSX-JTQLQIEISA-N 316.813 4.870 30 20 DJED C[C@H](Nc1ccc(NC[C@@H](C#N)CCC#N)cc1)c1ccccc1 566124433 HHOWOSPTWMOEBV-DLBZAZTESA-N 318.424 4.715 30 20 DJED CCc1cccc2c1OCC[C@@H]2N[C@@H](CC)c1ccc(C#N)cc1 584569786 UHZBVOUTISORQQ-PMACEKPBSA-N 320.436 4.685 30 20 DJED C=CCCC(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 588020103 OORANIHGTPPJIO-FQEVSTJZSA-N 307.437 4.833 30 20 DJED CCC(C)(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 608846888 GHDYGMRANNJZHQ-UHFFFAOYSA-N 308.381 4.725 30 20 DJED CCc1ccc([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 609019404 JKYUIESYSVOGLU-LBPRGKRZSA-N 312.800 4.516 30 20 DJED Cc1ccc(Oc2ccccc2CNc2ncccc2C#N)cc1 609288239 FRJACJXGLVJJHL-UHFFFAOYSA-N 315.376 4.666 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)Nc1cc(C)cc(C)c1 615469757 DNBMRRSZQAYILB-UHFFFAOYSA-N 312.388 4.663 30 20 DJED C=CCC1(C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)CCC1 617608725 FJDSMWHEHAYNKD-UHFFFAOYSA-N 324.251 4.625 30 20 DJED COCc1cccc(/C=C/C(=O)c2ccc(F)c(Cl)c2)c1 742433242 UQKAHVPOIHRGLB-VMPITWQZSA-N 304.748 4.522 30 20 DJED Fc1ccc([C@H]2CCCC2=NNc2ccc(Cl)nc2)cc1 743450775 ZGTBGOHGWKOXCH-CQSZACIVSA-N 303.768 4.610 30 20 DJED C(=NNc1cccc2ccccc12)C1=Cc2ccccc2OC1 747060452 RKKRKQGIOJXKFD-UHFFFAOYSA-N 300.361 4.714 30 20 DJED CCCCCCCC(=O)Nc1c(F)cccc1Br 752493170 XNQCEYDVZYCKRX-UHFFFAOYSA-N 316.214 4.887 30 20 DJED Cc1cc(Cl)cc(C)c1C=NNCc1cnc2ccccc2c1 756894855 ASWYBJHHSRNQAB-UHFFFAOYSA-N 323.827 4.629 30 20 DJED CCCCCCCC[C@@H](C)CC(=O)N1CCC[C@H](N(C)C)CC1 760758247 NRDKITDMMAPPAH-MOPGFXCFSA-N 324.553 4.706 30 20 DJED Cc1cc(/C=C2\Cc3ccc(Cl)cc3C2=O)cnc1Cl 762447201 NGEWPIXAHPVFHK-LFYBBSHMSA-N 304.176 4.519 30 20 DJED CCc1cnccc1C(C)=NNc1ccc(Cl)c(Cl)c1 765573622 ZEXSWYOVQPHWPZ-UHFFFAOYSA-N 308.212 4.787 30 20 DJED N#Cc1csc(C=NNc2c(Cl)cc(F)cc2Cl)c1 767911290 QHERWUZFVCETIA-UHFFFAOYSA-N 314.172 4.512 30 20 DJED CC[C@H](N[C@H](C)c1nc2ccccc2s1)c1ccc(C#N)cc1 774193100 SMISZFLGBBIMPP-CJNGLKHVSA-N 321.449 4.970 30 20 DJED CC(C)C[C@H](C(=O)OCCCC(C)(C)C#N)c1ccccc1 783790069 XKQQDRKLGNUVLA-KRWDZBQOSA-N 301.430 4.689 30 20 DJED C[C@H](C#N)Oc1ccc(CNc2ccc(C3CCC3)cc2)cc1 785547221 KREHHCATUSYNFQ-OAHLLOKOSA-N 306.409 4.857 30 20 DJED FC(F)(F)[C@H]1CCC[C@H](C=NNc2ccc(Cl)cn2)C1 853435958 VGZZTGGMMZYJIZ-UWVGGRQHSA-N 305.731 4.501 30 20 DJED CCCCCCCCc1nnc(COc2ccccc2F)o1 1117200548 XOSSRIUTIPEDFV-UHFFFAOYSA-N 306.381 4.691 30 20 DJED CCC(CC)[C@H](C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1126485146 ICFKIUFZCDFGHF-JTQLQIEISA-N 312.335 4.588 30 20 DJED Cc1ccc(C(=O)Nc2ccc(C#N)c(F)c2)c(Cl)c1Cl 1129459546 MLMDDAJAAFQYPF-UHFFFAOYSA-N 323.154 4.565 30 20 DJED C[C@@H](Nc1ncccc1C#N)c1ccc(-c2ccc(F)cc2)cc1 1162837554 CPUZJCGPYBSYQT-CQSZACIVSA-N 317.367 4.932 30 20 DJED C[C@@H]1CCCc2ccccc2[C@@H]1NCc1ccc(C#N)c(F)c1 1180623123 MZXMHZFGATWJSX-JLTOFOAXSA-N 308.400 4.501 30 20 DJED N#Cc1ccccc1SCc1c(F)cccc1Br 1188798270 OJNKZQNIWMDIRY-UHFFFAOYSA-N 322.202 4.752 30 20 DJED CCCC[C@H](CCC)NC(=O)N[C@H](CCC#N)c1ccccc1 1229665031 WCLLGWWGAAVDBR-ZWKOTPCHSA-N 315.461 4.690 30 20 DJED C[C@@H]1CCC[C@@H](CCN2CCC(c3ccc(C#N)cc3)CC2)C1 1308114414 OCLVNYAXMIFSAR-MSOLQXFVSA-N 310.485 4.954 30 20 DJED CCCc1c(N[C@@H]2CCC[C@H](C)C2)cnn1-c1cccc(C#N)c1 1308700042 IVIJBOAFXQWLOD-DOTOQJQBSA-N 322.456 4.687 30 20 DJED Cc1cccnc1[C@@H]1CCC[C@@H](Nc2cc(F)cc(C#N)c2)C1 1308900490 FZNPRZGLZWDXCQ-NVXWUHKLSA-N 309.388 4.539 30 20 DJED CC[C@@H](C#N)[C@@H](OC(=O)CCCC(F)(F)F)c1cccs1 1343907132 UYBJIWUADWULFG-GXFFZTMASA-N 319.348 4.615 30 20 DJED N#CC1(CCN2CC[C@H](Cc3ccc(F)cc3)C2)CCCCC1 1459506607 KDGYSUYEKOIKAO-GOSISDBHSA-N 314.448 4.554 30 20 DJED C[C@H](NCc1cccc(C#N)c1)C1(c2ccccc2)CCCC1 1459957627 BMIBXXFIOJBNJS-KRWDZBQOSA-N 304.437 4.548 30 20 DJED CC(C)CC[C@H]1CCC[C@H]1NC(=O)CC1(C#N)CCCCC1 1520534473 YXTKLSCUOVHXSL-IAGOWNOFSA-N 304.478 4.572 30 20 DJED CC[C@H](OC(=O)c1ccc(C#N)o1)c1ccc(C(C)(C)C)cc1 1521036514 AEWGZDHUADEHDQ-INIZCTEOSA-N 311.381 4.757 30 20 DJED N#Cc1cccc(NC(=O)CC2CCC(c3ccccc3)CC2)c1 1523611701 GBSXYUHAMNCOAD-UHFFFAOYSA-N 318.420 4.861 30 20 DJED CC[C@@H](OC(=O)CC(C)(C)C#N)c1ccc(C(C)(C)C)cc1 1527494463 SCXKHZLHFKDITO-MRXNPFEDSA-N 301.430 4.918 30 20 DJED CC[C@@H](C#N)C(=O)N[C@H](c1cccc(Cl)c1)C1CCCCC1 1545737816 UDBFIJAHRNNTEN-GUYCJALGSA-N 318.848 4.627 30 20 DJED C[C@@H](CSc1ccccc1)N(C)CCC1(C#N)CCCCC1 1559974856 ZGWQKNPQSCVQTK-KRWDZBQOSA-N 316.514 4.963 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1cccc(C(C)(C)C)c1 1585575020 PROKCXDYXFUSHZ-UHFFFAOYSA-N 300.446 4.529 30 20 DJED Cc1cccc2c1CC(C)(C)N(Cc1ccc(C#N)cc1Cl)C2 1618084123 MVONNKXCPZDWAN-UHFFFAOYSA-N 324.855 4.857 30 20 DJED CCC[C@H](Cc1ccccc1)Nc1cc(C#N)ccc1OCC 1621238765 FXHLQOUWAJHTST-GOSISDBHSA-N 308.425 4.780 30 20 DJED N#Cc1ccc(SCCc2ccccc2Br)cc1 1640866584 OQMKRLUUUGKQGH-UHFFFAOYSA-N 318.239 4.656 30 20 DJED Cc1ccc(-c2csc(COc3cccc(F)c3C#N)n2)cc1 1641012743 SAGFCRHQXXBOAQ-UHFFFAOYSA-N 324.380 4.708 30 20 DJED N#Cc1sc(N2CCC[C@@H]2CCC2CCCCC2)nc1Cl 1650868181 VQJBAJZGDSZKGX-CYBMUJFWSA-N 323.893 4.997 30 20 DJED COCc1ccccc1/C=C(\C)CNc1cccc(C#N)c1C 1651152089 LYNAVPFIIJUCTD-RVDMUPIBSA-N 306.409 4.529 30 20 DJED N#Cc1cc(Cl)ccc1SC[C@H](O)c1ccc(Cl)cc1 1651842911 WUWZWJOYMHGWLV-AWEZNQCLSA-N 324.232 4.691 30 20 DJED CC(C)c1cccc2c1N(Cc1cccc(C#N)c1F)CCC2 1654748919 RRWICYPLFAPTKH-UHFFFAOYSA-N 308.400 4.774 30 20 DJED Cc1ccnc(N[C@H](Cc2ccccc2)c2ccccc2)c1C#N 1654950919 QMVFTTPGLBTVDY-HXUWFJFHSA-N 313.404 4.658 30 20 DJED Cc1cc(C(=O)CSc2ccc(C#N)cc2)c(C)c(C)c1C 1656233251 VMYJZESSMOASSL-UHFFFAOYSA-N 309.434 4.767 30 20 DJED CCCc1cccc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 1657255708 OXMLGOKTBXWKNW-FCHUYYIVSA-N 318.464 4.911 30 20 DJED Cc1cc(CN(C)Cc2cc(Cl)cc(Cl)c2)ccc1C#N 1657478209 TVTDBUAKWIZWRW-UHFFFAOYSA-N 319.235 4.806 30 20 DJED CCCC[C@H](CCC)CNC(=O)Nc1cc(C#N)c(F)cc1F 1672603903 PZMHVLHXKIEOEO-LBPRGKRZSA-N 323.387 4.564 30 20 DJED CC(C)c1cccc(C(=O)/C=C\c2ccc(/C=C\C(=O)O)cc2)c1 1776375335 GVVDSRXTHGMKPP-MIMPSMLTSA-N 320.388 4.804 30 20 DJED C[C@H](Nc1cccc(F)c1C#N)c1ccc(C(F)(F)F)cc1 26774947 NTLDSGOEPXZKTI-JTQLQIEISA-N 308.278 4.889 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1ccccc1 66800691 VYKABQOEXMYYPG-OAHLLOKOSA-N 324.449 4.652 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1cc(F)ccc1Cl 102801375 YZTRFFDASBIDLY-UHFFFAOYSA-N 318.779 4.699 30 20 DJED CCc1cccc(CC)c1NC(=O)c1ccc(C#N)c(Cl)c1 153578197 GGTIKPGXSAZKPV-UHFFFAOYSA-N 312.800 4.589 30 20 DJED Cc1ncsc1/C=C/C(=O)c1cc(Cl)sc1Cl 172816564 TYESGRHEZRRWBQ-NSCUHMNNSA-N 304.223 4.716 30 20 DJED COc1ccc2c(c1)C(=O)/C(=C\c1ccc3ccccc3c1)CO2 195789683 UFXOJFFIXZDTLD-BOPFTXTBSA-N 316.356 4.507 30 20 DJED CC[C@@H](N[C@@H](C)c1cc(F)ccc1OC)c1ccc(C#N)cc1 278271307 PCEJSJHXYMYRNV-SCLBCKFNSA-N 312.388 4.508 30 20 DJED Cc1c(CSC(C)C)cccc1NC(=O)CC(C)(C)C#N 278281952 GEADDYVNVKDRLJ-UHFFFAOYSA-N 304.459 4.515 30 20 DJED CC(C)(C#N)CCOc1cc(F)c(Br)cc1Cl 310222142 LUBGPXRRCIXCLU-UHFFFAOYSA-N 320.589 4.560 30 20 DJED Cc1ccsc1[C@H](Cc1ccccc1)N[C@@H]1CC[C@H](C#N)C1 424318257 CWFVLRGDRWFLQN-KSZLIROESA-N 310.466 4.622 30 20 DJED C=C(C)C(C)(C)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 424640180 AEJOCBYBLFDJIB-ZDUSSCGKSA-N 314.454 4.590 30 20 DJED COc1ccc(C#N)cc1CNc1ccccc1OC1CCCC1 434883693 RWUXCQGGZLTETH-UHFFFAOYSA-N 322.408 4.500 30 20 DJED N#CCc1ccc(NC(=O)c2ccc3c(c2)CCCC3)c(Cl)c1 452639559 CKXBODOSGSSWCS-UHFFFAOYSA-N 324.811 4.537 30 20 DJED C=C[C@](C)(CC)C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C 468006764 UQBJAPHFQQHBRK-ORAYPTAESA-N 315.413 4.529 30 20 DJED C=C[C@H](CC(=O)N1CC[C@@H](C)c2cccc(O)c21)c1ccccc1 468822345 CNNXRJABCAVOFN-HZPDHXFCSA-N 321.420 4.592 30 20 DJED CC[C@H](C)[C@@H]1CCCCN1C(=O)C[C@@H](CC#N)c1ccccc1 476079012 IYPDDOUENMKJHU-UHOSZYNNSA-N 312.457 4.501 30 20 DJED C=CCNC(=O)Nc1ccc(NCc2cccc(CCC)c2)cc1 479400442 RHHDZNSJCUFZKE-UHFFFAOYSA-N 323.440 4.559 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1 481033673 DUWXNNSZJXPOPG-SAABIXHNSA-N 324.811 4.772 30 20 DJED Cc1csc(-c2cccc(NCc3cc(C#N)ccc3F)c2)n1 487343517 UMMPRBDSENCOSS-UHFFFAOYSA-N 323.396 4.741 30 20 DJED C=CCN(Cc1csc(CC)n1)Cc1ccc(Cl)s1 506101617 SCSLFPNYCXLCOH-UHFFFAOYSA-N 312.891 4.609 30 20 DJED C=C(CNC(=O)N1CCCCC[C@@H]1c1ccco1)c1ccccc1 512659035 CCDJFGPUYCFNCM-GOSISDBHSA-N 324.424 4.620 30 20 DJED C=CCCO[C@H](C)C(=O)N(Cc1ccccc1)c1cccc(C)c1 520636524 FVDWFYKGLQIMFV-GOSISDBHSA-N 323.436 4.509 30 20 DJED C=C[C@H](CC(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21)c1ccccc1 533911302 ADEDPOJGGNJVON-ONCXSQPRSA-N 311.469 4.774 30 20 DJED C[C@H](NCCCSc1ccc(F)cc1)c1cccc(C#N)c1 538393995 JZQQAXQBXJHCQW-AWEZNQCLSA-N 314.429 4.530 30 20 DJED C[C@@H](C(=O)N[C@@](C)(C#N)C1CCCCC1)c1cc2ccccc2o1 550349171 DGZWARQRUNGCBO-VLIAUNLRSA-N 324.424 4.515 30 20 DJED CC1(C)CCN(C(=O)c2ccc(C#N)c(Cl)c2)c2ccccc21 566527927 FPVSMNBFSPNLKB-UHFFFAOYSA-N 324.811 4.540 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1ccc(C2=CCCC2)cc1 578472534 CKACDTCKDBBIQS-UHFFFAOYSA-N 302.377 4.686 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1ccc(S[C@@H](C)CC)cc1C 604906608 OOTOWTRXZILRSQ-KGLIPLIRSA-N 306.475 4.972 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CSCc2ccccc21 611392019 FBMHAGNMWLJPBN-UXHICEINSA-N 320.461 4.513 30 20 DJED C[C@@H]1CCCC[C@@H]1c1noc(-c2cc3ccccc3n2CC#N)n1 612928332 UJJMBDBMZVNSEA-HIFRSBDPSA-N 320.396 4.509 30 20 DJED C=CCN(C(=O)c1oc2ccc(F)cc2c1C)c1ccccc1 641896858 FSBQMMBLPWRHKL-UHFFFAOYSA-N 309.340 4.713 30 20 DJED C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CC=CCC2)c1 728181415 GVISXIRXSVRBHT-KRWDZBQOSA-N 321.445 4.619 30 20 DJED CCCCC/C(C=NN=C(C)c1cnccn1)=C\c1ccccc1 745204194 WXHAZDHUSFGATE-SZFILNCYSA-N 320.440 4.935 30 20 DJED CCc1ccc(C(=O)/C=C\c2ccc(Cl)c([N+](=O)[O-])c2)s1 747200820 MJPFWLMACWWECB-DAXSKMNVSA-N 321.785 4.768 30 20 DJED C#CC[C@H](NC(=O)Nc1cccc(Cl)c1C)c1ccccc1 757771358 JXYBEZIMVXOUHQ-KRWDZBQOSA-N 312.800 4.535 30 20 DJED Clc1ccccc1[C@@H]1CCCC1=NOCc1cccnc1 758128465 HHAGHFOBVLZPPV-HNNXBMFYSA-N 300.789 4.575 30 20 DJED Fc1cccc(C=NOCc2nc(C3CCCCC3)cs2)c1 766683879 HTENWIQELILYPZ-UHFFFAOYSA-N 318.417 4.881 30 20 DJED COc1ccc(/C=C\C(=O)c2ccnc(Cl)c2)c2ccccc12 782194004 KAIDCSDVEMSQBX-VURMDHGXSA-N 323.779 4.793 30 20 DJED FC(F)(F)c1ccccc1ON=Cc1cc(Cl)cs1 782253472 HAEMAMADTDMZFU-UHFFFAOYSA-N 305.708 4.833 30 20 DJED CC(=NNc1c(C)cccc1C(C)C)c1ccc2nc(O)[nH]c2c1 812233315 WJKAMUIXXVPLBK-UHFFFAOYSA-N 322.412 4.536 30 20 DJED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCCO2 850447382 JPUVKHNJVNCNBE-JXFKEZNVSA-N 320.436 4.707 30 20 DJED CCCCCCCCCn1nc(C)c([C@@H]2CCCC(=O)N2)c1C 853721462 GJYIQDRVXDSIOX-KRWDZBQOSA-N 319.493 4.592 30 20 DJED O=C1/C(=C\c2ccc(Cl)s2)CCOc2ccc(F)cc21 861416460 RMLGLPGEMIWNNO-CLFYSBASSA-N 308.761 4.589 30 20 DJED CCC1CCC(N(C(=O)/C=C/c2ccccc2C#N)C2CC2)CC1 914490420 PCXKSCZROWJQAQ-NTEUORMPSA-N 322.452 4.531 30 20 DJED CC(=NNc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 916244968 JDISNBUEMCPJDW-UHFFFAOYSA-N 305.337 4.584 30 20 DJED COc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3)o2)c(F)c1 917516025 ICMKTCNIZVFUFP-DHZHZOJOSA-N 322.335 4.990 30 20 DJED CCC/C(C)=C/C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 920325140 ZNJPMYWJKOEUAG-PMDBQALLSA-N 318.829 4.872 30 20 DJED C[C@@H]1CC[C@H](OC(=O)c2ccccc2-c2ccccc2C#N)C1 1127767859 KYWPIYLKVRPCPV-ZBFHGGJFSA-N 305.377 4.571 30 20 DJED CC(C)(C#N)CCN1CCCCc2c(Br)cccc21 1168434894 ARVFAWTVDWSNPL-UHFFFAOYSA-N 321.262 4.532 30 20 DJED CCC(CC)[C@H](C)C(=O)Nc1scc(C(C)(C)C)c1C#N 1274511957 VATSTHYWAUQGID-NSHDSACASA-N 306.475 4.928 30 20 DJED Cc1ccc(O)c2c1[C@H](C)CC2=NNc1nccc2sccc12 1321691893 QOFPBUGRWZFPAV-LLVKDONJSA-N 323.421 4.634 30 20 DJED CC[C@@H](C)[C@H](c1ccccc1)c1nnc(-c2cccc(C#N)c2)o1 1322342855 KBYYVWNEOQLHOM-RDTXWAMCSA-N 317.392 4.786 30 20 DJED CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1sc(-c2ccccc2)cc1C#N 1355048921 IAQWLTLZRIJCDA-BEFAXECRSA-N 324.449 4.907 30 20 DJED CCC[C@H](CC)NCc1cccc(OCc2ccccc2C#N)c1 1461173921 YKMWDUCGINEROA-FQEVSTJZSA-N 322.452 4.806 30 20 DJED Cc1cccc(CN(CCc2ccc(C#N)cc2)CC(C)C)c1 1473124081 JQPDYEVDVZWPBP-UHFFFAOYSA-N 306.453 4.567 30 20 DJED CC[C@H](CC(C)C)C(=O)N(CC)c1ccc(C#N)c(Cl)c1 1519593440 JRLCFQUEILPJDY-CYBMUJFWSA-N 306.837 4.637 30 20 DJED CCN(C(=O)c1csc(C#N)c1)[C@H](C)c1cc2ccccc2o1 1526668252 DCAMOKNYGRUWGW-GFCCVEGCSA-N 324.405 4.589 30 20 DJED CCCC[C@H](C(=O)N[C@@H](CCC#N)c1ccccc1)C(C)C 1545081835 CWIBWNJLABGNEV-ROUUACIJSA-N 300.446 4.610 30 20 DJED N#Cc1ccc(CCN(C2CC2)[C@@H]2CCCc3ccccc32)cc1 1615914786 MHPPQFLCZNMTGK-JOCHJYFZSA-N 316.448 4.643 30 20 DJED Cc1ccc([C@H]2CCN(CCC3(C#N)CCCCC3)C2)c(C)c1 1617713563 SXXICBMTOZIHHY-IBGZPJMESA-N 310.485 4.957 30 20 DJED Cc1cc(C)c(/C=C/CNC2(c3cccc(C#N)c3)CC2)cc1C 1620933438 SIPRTSZQLOENAU-FNORWQNLSA-N 316.448 4.776 30 20 DJED Cc1cc(CN2CC3(CCC3)[C@@H]2c2ccccc2)ccc1C#N 1621363640 PNJYAADKAMUNPN-FQEVSTJZSA-N 302.421 4.594 30 20 DJED Cc1nc(NCC2(Sc3ccccc3)CCCC2)ccc1C#N 1642223868 MYJWQISLSFIOGP-UHFFFAOYSA-N 323.465 4.779 30 20 DJED CC[C@H](c1cccc(OC)c1)N(C)CCC1(C#N)CCCCC1 1642993597 XXZGPIDYCOJQTQ-LJQANCHMSA-N 314.473 4.942 30 20 DJED CCN(CCCc1ccccc1OC)[C@H](C)c1ccc(C#N)cc1 1657037032 KWJMRVCSJNTQLH-QGZVFWFLSA-N 322.452 4.583 30 20 DJED N#Cc1ccc(C2=CCN(Cc3cccc4ccoc34)CC2)cc1 1659042201 PIGZXXCKAGXYKI-UHFFFAOYSA-N 314.388 4.594 30 20 DJED CCCC[C@H](CCC)CNC(=O)Nc1cccc(C#N)c1C 1667872366 MHMZBPNFGXRHGY-HNNXBMFYSA-N 301.434 4.595 30 20 DJED N#Cc1cccc(/C=C/C(=O)c2cc(Cl)sc2Cl)c1 14179677 PATRROGNIRXBOB-SNAWJCMRSA-N 308.189 4.823 30 20 DJED Cc1cccc(C(=O)/C=C/c2csc(Br)c2)c1 48438996 UBSXOCBUKZPYCI-AATRIKPKSA-N 307.212 4.715 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1oc2c(Cl)cccc2c1C 63960722 RVUYVMQBYZZIEF-UHFFFAOYSA-N 324.767 4.827 30 20 DJED C=CCN(Cc1csc(CCC(C)C)n1)Cc1cccs1 65040324 BJXMSSGZECINRE-UHFFFAOYSA-N 320.527 4.981 30 20 DJED N#Cc1csc(CN[C@H](c2ccccc2)c2cccc(F)c2)c1 88766058 YDWDJOIAAHCMES-LJQANCHMSA-N 322.408 4.638 30 20 DJED C[C@H](N[C@H](C)c1cccc(OC(F)F)c1)c1ccc(C#N)cc1 121444153 UOCZJQZYHIEOJL-QWHCGFSZSA-N 316.351 4.571 30 20 DJED C[C@@H](N[C@H](C)c1cccc(OC(F)F)c1)c1ccc(C#N)cc1 121444287 UOCZJQZYHIEOJL-CHWSQXEVSA-N 316.351 4.571 30 20 DJED CCc1oc2ccccc2c1C(=O)N(CC)c1ccc(C#N)cc1 121643990 AGUFUFQAHXRPTB-UHFFFAOYSA-N 318.376 4.534 30 20 DJED N#CCc1ccc(NCc2ccc(F)cc2C(F)(F)F)cc1 129427655 QESISIAMYBWSJH-UHFFFAOYSA-N 308.278 4.523 30 20 DJED C=C[C@@H](CC(=O)[C@@H](C#N)c1nc(C(C)C)cs1)c1ccccc1 131164650 FCYWFRPITAFEFG-GOEBONIOSA-N 324.449 4.803 30 20 DJED CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1F 160736862 ZBRAIPYDMKYOHP-SGTLLEGYSA-N 300.352 4.638 30 20 DJED C=CCCC[C@@H](C)N[C@@H](C)c1sc(-c2cccnc2)nc1C 182183280 BOYQVVMCAFTKRU-KGLIPLIRSA-N 315.486 4.909 30 20 DJED C=CCN(Cc1ccccc1)C(=O)C[C@H](C)c1ccccc1C 303708365 PKGSUAQTMRSYIT-SFHVURJKSA-N 307.437 4.703 30 20 DJED C[C@H](CCc1ccco1)Nc1ccc(C#N)cc1C(F)(F)F 315616285 VTNAWPLDHTTYQK-LLVKDONJSA-N 308.303 4.603 30 20 DJED C[C@@H](Nc1cccc(OC(F)(F)F)c1)c1cccc(C#N)c1 315912559 SFNVXKCLDRHGEI-LLVKDONJSA-N 306.287 4.630 30 20 DJED C[C@@H](N[C@H](CC(F)(F)F)c1ccccc1)c1ccc(C#N)cc1 319655532 FZCZOLJPHCMVSL-CXAGYDPISA-N 318.342 4.903 30 20 DJED CC1(C)CCC(/C(O)=N/[C@@H]2CCC(O)=N[C@H]2C(C)(C)C)CC1 329296369 SUWNEPIESXVZDA-UKRRQHHQSA-N 308.466 4.693 30 20 DJED C[C@@H](SCc1ccc(C#N)cc1OC(F)F)c1cccnc1 341934566 XUNBIZYDYNITBF-LLVKDONJSA-N 320.364 4.549 30 20 DJED Cc1oc(C(C)C)cc1C(=O)Nc1ccc(Cl)cc1CC#N 410961620 ANFLLHIEXBUIQL-UHFFFAOYSA-N 316.788 4.683 30 20 DJED COc1ccc(CN(C)CCCCC(C)(C)C#N)cc1Cl 412042654 OGPQKSOZGQJJLC-UHFFFAOYSA-N 308.853 4.500 30 20 DJED CCC[C@@]1(C(F)(F)F)CCCN1CCCCC(C)(C)C#N 444662293 IUCGADRMXJNUDP-HNNXBMFYSA-N 304.400 4.903 30 20 DJED C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@H]1c1ccc(C)cc1 460933193 JVKJRBCEVMJYPY-SFHVURJKSA-N 324.472 4.628 30 20 DJED N#Cc1ccc(Oc2nc3cc(C(F)(F)F)ccc3s2)cc1 462753195 JVKPWHKWPXMFNE-UHFFFAOYSA-N 320.295 4.979 30 20 DJED C=CCC(CC=C)C(=O)N1CC[C@](C)(CCc2ccccc2)C1 467317380 XUIZPJOLNAGCPG-NRFANRHFSA-N 311.469 4.626 30 20 DJED C=CCCC1(C(=O)N(C)c2nc3cccc(Cl)c3s2)CC1 484246607 NAAZSUMGRHXXHQ-UHFFFAOYSA-N 320.845 4.659 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1cccc(F)c1Cl 495373988 KZKIOMUUHLOFKB-UHFFFAOYSA-N 324.808 4.761 30 20 DJED CCC(C)(C)CC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 505977128 QRBWLUJKRBJZEQ-ZDUSSCGKSA-N 313.228 4.501 30 20 DJED CN(Cc1ccc(C#N)s1)Cc1cccc(Cl)c1Cl 506759009 OGVXDPJEYYHMKF-UHFFFAOYSA-N 311.237 4.559 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccc2scnc2c1 513972049 VJCZFKUWLAWVAN-UHFFFAOYSA-N 323.421 4.516 30 20 DJED C=CCOc1ccccc1CNCc1ccc(Cl)c(Cl)c1 522062681 JYXPZONDHKVUQI-UHFFFAOYSA-N 322.235 4.848 30 20 DJED N#Cc1ccc(CN[C@H](c2cccc(F)c2)C2CCCC2)cc1 531538026 LYOCDUQVJWYSKT-FQEVSTJZSA-N 308.400 4.718 30 20 DJED CC(C)[C@H](NCc1cc(C#N)ccc1F)c1ccc(Cl)cc1 533230217 XPDVKGORZMDKNW-SFHVURJKSA-N 316.807 4.838 30 20 DJED C=CCCC[C@@H](C)N[C@H](C)c1nc2ccc(Cl)cc2n1C 539508554 CFJYAOWCFPDBDE-CHWSQXEVSA-N 305.853 4.622 30 20 DJED C=C(C)COc1cccc(NC(=O)c2ccn(C(C)C)c2C)c1 550176774 RWPJFZKKPAMXHJ-UHFFFAOYSA-N 312.413 4.585 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CC[C@H](C)CC1 573123564 JMSWHMQCBNCHBQ-RBSFLKMASA-N 316.470 4.846 30 20 DJED Cc1csc(NC(=O)N2CCC[C@H]2C2CCCCC2)c1C#N 577692501 XVOLMSLHKDANSA-HNNXBMFYSA-N 317.458 4.505 30 20 DJED CCOc1cccc2cc([C@@H](C)N[C@@H](C#N)c3ccccc3)oc12 595433101 VRCLVQWTTKKWDF-PBHICJAKSA-N 320.392 4.747 30 20 DJED C[C@H]1CCCC[C@@H]1CC(=O)Nc1sc2c(c1C#N)CCCC2 604446077 USNFSDDEAQHVJG-QWHCGFSZSA-N 316.470 4.653 30 20 DJED Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc2c(c1)CCCC2 614405997 MDMLWFTZRUDKRH-INIZCTEOSA-N 304.437 4.596 30 20 DJED CC(=NNc1cccc2cnccc12)c1nc2ccccc2s1 728432124 NBKVHSFQKOQWSQ-UHFFFAOYSA-N 318.405 4.681 30 20 DJED Clc1ccc(C=NNCCCc2ccccc2)c(Cl)c1 729146166 OLHCGOLYIWYJAK-UHFFFAOYSA-N 307.224 4.550 30 20 DJED C=C(C)CN(CC)C(=O)N[C@H](C)c1csc2ccccc12 730066804 PICMYXQKHJAGHF-CYBMUJFWSA-N 302.443 4.570 30 20 DJED CCn1c(C(C)=NNc2cccc(Cl)c2)nc2ccccc21 741451982 SAQRYXGDQVDJIN-UHFFFAOYSA-N 312.804 4.546 30 20 DJED CCCC(=NNc1cc(Cl)nc(C)n1)c1ccc(Cl)cc1 741765779 DUBHKEHIKCTJLY-UHFFFAOYSA-N 323.227 4.708 30 20 DJED CC(=NNc1nc2cc(C(F)(F)F)ccc2s1)C(C)C 743445054 BHJGKVKVBFTBQZ-UHFFFAOYSA-N 301.337 4.759 30 20 DJED O=C(/C=C/C=C\c1ccccc1[N+](=O)[O-])c1c[nH]c2ccccc12 750907828 ZUVVNGLRTYTPRF-ROYNJUEVSA-N 318.332 4.528 30 20 DJED CC(=NNc1c(Cl)cccc1Cl)c1scnc1C 763187928 FMFHLNUOGATMNU-UHFFFAOYSA-N 300.214 4.594 30 20 DJED CC(C)(C)Oc1ccc(C(=O)/C=C\c2cc(C#N)cs2)cc1 764919150 DYZHHZVZHOLWFR-HJWRWDBZSA-N 311.406 4.693 30 20 DJED C#CCCCCC(=O)N(Cc1ccccc1)Cc1ccccc1F 773292858 MTUHUMXQYHLERO-UHFFFAOYSA-N 323.411 4.548 30 20 DJED COc1cc(SC)ccc1N[C@@H](C)c1ccc(C#N)c(F)c1 774489186 HTJPFYFMKLDTQT-NSHDSACASA-N 316.401 4.601 30 20 DJED C[C@@H]1CC[C@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 776301717 XNFLHKVIOIQDJW-BPAFIMBUSA-N 318.420 4.717 30 20 DJED O=C(/C=C\c1ccc(Cl)nc1Cl)c1ccc(Cl)cc1 779358800 VWRBJVKAFKHEBQ-CLTKARDFSA-N 312.583 4.938 30 20 DJED Cn1cc(C=NNc2ccccc2Cl)c(C2CCCCC2)n1 783777643 RRCPYIRXFUBHES-UHFFFAOYSA-N 316.836 4.567 30 20 DJED CCCCOc1ccc(C(=O)/C=C/c2scnc2C)cc1 789157895 QKURRZSXVRJAFQ-MDZDMXLPSA-N 301.411 4.527 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc(C(F)F)cc2)c(OC)c1 794925632 BFTYNWFZPMAPPQ-YHYXMXQVSA-N 318.319 4.538 30 20 DJED N#Cc1ccc2c(c1)CC/C(=C/c1ccc(C(F)F)cc1)C2=O 794941217 KUIQLKTVWRCZFF-SXGWCWSVSA-N 309.315 4.708 30 20 DJED CC[C@@H](C#N)Oc1cccc(CN[C@@H](CC)c2ccsc2)c1 834650839 RBAXLUVWEMBUFT-WMZOPIPTSA-N 314.454 4.670 30 20 DJED CC(C)CCCCCC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842940916 LLANIKQRNIWEOZ-AWEZNQCLSA-N 304.459 4.803 30 20 DJED C=CC(C)(C)CC(=O)N(c1ccccc1)c1nc(C)cs1 887643771 DFUYEWDOSIBVQW-UHFFFAOYSA-N 300.427 4.719 30 20 DJED Cc1cccc(NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 916255316 RDVOBGBGWVCANJ-UHFFFAOYSA-N 321.336 4.609 30 20 DJED C#Cc1cccc(NC(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)c1 916673845 ONORUJCHAHOFKL-GOSISDBHSA-N 324.399 4.716 30 20 DJED Cc1ccc(C(=O)Nc2ccc(CCC(C)C)cc2)cc1C#N 1125579490 QQDKQXNFXUDKEL-UHFFFAOYSA-N 306.409 4.708 30 20 DJED Cc1ccc(CNc2c(C#N)cnc3c(Cl)cccc23)c(C)c1 1162190849 ZRTNDNFRYWCZFD-UHFFFAOYSA-N 321.811 4.989 30 20 DJED CSc1ccccc1C(=O)/C=C\c1ccc(O)c(Cl)c1 1325158890 PXYIRPWSTYUZBR-VURMDHGXSA-N 304.798 4.664 30 20 DJED Cc1ccc([C@@H]2CCCN2c2nc(C)c(C#N)cc2Cl)cc1 1458089930 AVDOAQQCCRNIAP-KRWDZBQOSA-N 311.816 4.565 30 20 DJED Cc1ccc(C(=O)N[C@H](C)c2csc3ccccc23)cc1C#N 1463284541 GXJYXPGTUMTMPG-CYBMUJFWSA-N 320.417 4.572 30 20 DJED Cc1nc(Nc2ccc(NCC3CCCC3)cc2)ccc1C#N 1472681127 MOWUWELJTFZQDM-UHFFFAOYSA-N 306.413 4.607 30 20 DJED C[C@]1(c2ccccc2)CCCN(CCc2ccc(C#N)cc2)CC1 1473465641 UDDWSMDKQQBVAO-QFIPXVFZSA-N 318.464 4.545 30 20 DJED C=C(CNCc1cc(F)cc(C(F)(F)F)c1)c1ccccc1 1473982447 NVEHFHYCLBKBFH-UHFFFAOYSA-N 309.306 4.648 30 20 DJED Cc1ccc(C(=O)O[C@@H](C)c2cccc(Cl)c2F)cc1C#N 1521483706 WHGXJBIGHBDVBC-NSHDSACASA-N 317.747 4.577 30 20 DJED Cc1ccc([C@@H]2C[C@H]2C(=O)O[C@H](C)c2cccc(C#N)c2)cc1C 1525572479 VNMYBPUAWUNGAX-UIAACRFSSA-N 319.404 4.583 30 20 DJED C[C@H]1CCC[C@@H]1CC(=O)Nc1cc(C(C)(C)C)sc1C#N 1527552802 WJHKVOSPYFDFQQ-NWDGAFQWSA-N 304.459 4.682 30 20 DJED CC1(C)CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC(C)(C)C1 1531671857 HLOYHFXKEYRJHX-UHFFFAOYSA-N 318.848 4.500 30 20 DJED CC(C)(C)C1CCC(CC(=O)N2CCc3cc(C#N)ccc32)CC1 1535597554 QRWKXOSQLJOFLT-UHFFFAOYSA-N 324.468 4.690 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@H]1CNc1snc(Cl)c1C#N 1559089372 KHCWQYUDGJBBGB-CMPLNLGQSA-N 311.882 4.933 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1Sc1cccs1 1611812418 QFKJEASNXMWIJX-UHFFFAOYSA-N 302.811 4.973 30 20 DJED CC[C@H]1CCC[C@@H](CNc2cc(C#N)ccc2OC(C)C)C1 1620962530 IEAHFEHYNYMPHU-DOTOQJQBSA-N 300.446 4.974 30 20 DJED Cc1c(Cl)cnc(NCC2CCC(C(C)C)CC2)c1C#N 1642417582 SXCMFTPVMYZGDL-UHFFFAOYSA-N 305.853 4.789 30 20 DJED CC[C@@H](Cc1ccccc1)N(C)Cc1ccc(Cl)cc1C#N 1652599504 GHGNOKNBDCXETP-IBGZPJMESA-N 312.844 4.665 30 20 DJED CC(C)(C#N)CCN[C@@](C)(Cc1ccccc1)c1ccccc1 1653892055 USGZNHCLJDRUEF-NRFANRHFSA-N 306.453 4.674 30 20 DJED Cc1ccnc(NCc2ccc(Oc3ccccc3)cc2)c1C#N 1655074749 PIDYHQWLHVICIO-UHFFFAOYSA-N 315.376 4.666 30 20 DJED CCOc1cc(C#N)ccc1OCc1c(C)ccc2ccccc12 1656021130 HNQWNKCREVFYLB-UHFFFAOYSA-N 317.388 4.998 30 20 DJED CC(C)[C@@H]1c2ccccc2CCN1Cc1ccc(Cl)cc1C#N 1657547809 LZPONEQEIOTOHX-HXUWFJFHSA-N 324.855 4.967 30 20 DJED CC1(c2ccccc2)CCC(NCc2cc(C#N)cs2)CC1 1661896643 SJJNZDZLJQCZGT-UHFFFAOYSA-N 310.466 4.610 30 20 DJED CC(C[C@H](C)CC(C)C)=NNc1ccc(Cl)c(C(=O)O)c1 1776033704 UYDBTANOBFAFPJ-LLVKDONJSA-N 310.825 4.898 30 20 DJED CCCCCCCCCCCN(C)Cc1cc(C(=O)O)co1 1776784633 ZOHHVVIMDFDZCH-UHFFFAOYSA-N 309.450 4.940 30 20 DJED CCc1ccc(/C=C2\CCCc3cc(C(=O)O)ccc3C2=O)cc1 1776968904 KOGPOTAYVSMGMQ-SFQUDFHCSA-N 320.388 4.550 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1c(C)cccc1C 43358254 FADJNSJNFAEXQV-UHFFFAOYSA-N 300.427 4.585 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1ccc2ccccc2c1 60677782 LLWLMSJHIZQIMQ-UHFFFAOYSA-N 307.418 4.730 30 20 DJED Cc1cc(C(=O)/C=C/c2ccc(O[C@H](C)C#N)cc2)c(C)s1 103250138 LNTWZLLOEOEFCI-UVMWJGKXSA-N 311.406 4.552 30 20 DJED CCCOc1ccc(Cl)cc1NCc1ccc(C#N)s1 157528317 RBYAKPCCNTVABG-UHFFFAOYSA-N 306.818 4.674 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccc(Oc3cnccn3)cc2)s1 174177086 UOFSJDSBNBFYEJ-VMPITWQZSA-N 322.389 4.535 30 20 DJED CC(NCc1ccccc1C#N)(c1ccccc1)c1ccccc1 179084822 HHVWNFHGYQVYNL-UHFFFAOYSA-N 312.416 4.612 30 20 DJED C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C 189087634 GFMQBWDUTSCRMK-GUYCJALGSA-N 308.491 4.697 30 20 DJED C=CCOc1cccc(/C=C(/C)c2nc(O)c3ccsc3n2)c1 255065713 RUMSEFLNIDDDFV-BENRWUELSA-N 324.405 4.522 30 20 DJED O=C(/C=C\c1csc(-c2cccs2)n1)c1ccccc1F 255109510 UFCFSOYRLVIQPN-FPLPWBNLSA-N 315.394 4.907 30 20 DJED N#Cc1ccc([N+](=O)[O-])c(Oc2ccc(Cl)c(Cl)c2)c1 302218844 QVZVFHMNFULWLZ-UHFFFAOYSA-N 309.108 4.566 30 20 DJED CC(O)=Nc1ncccc1N=C(O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 329104327 NYULVMJKOJUUQC-QLFBSQMISA-N 315.417 4.884 30 20 DJED OC1=NCc2c(N=C(O)[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)cccc21 329298310 UGEYDBKRQQNPNX-BFHYXJOUSA-N 312.413 4.699 30 20 DJED OC(CC1CCCCC1)=Nc1csc(-c2ccccn2)n1 329538659 MNNMDTDAORQEQG-UHFFFAOYSA-N 301.415 4.764 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@](C)(F)C1 355579582 FPZGNJPEGFDBAH-SFHVURJKSA-N 304.409 4.504 30 20 DJED N#CCc1ccc(CSc2ccccc2Br)cc1 399122497 IMELSYKLOZIULW-UHFFFAOYSA-N 318.239 4.807 30 20 DJED N#Cc1cccc(NC(=O)Nc2cccc(NC3CCCC3)c2)c1 426664035 CJCJZAVVUSQCNH-UHFFFAOYSA-N 320.396 4.557 30 20 DJED CC(C)c1cccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)c1 505141638 IBAUNSWNTAAAKV-UHFFFAOYSA-N 324.399 4.737 30 20 DJED C=CCN(C(=O)C[C@@H](C)CC(C)C)c1nc2c(s1)CCCC2 524088569 JGURDPZWOQDFNF-AWEZNQCLSA-N 320.502 4.613 30 20 DJED Cc1c(COC(C)(C)C)cccc1NCc1ccccc1C#N 531340424 HPGKPNANDHQDAN-UHFFFAOYSA-N 308.425 4.794 30 20 DJED C[C@@H](Sc1ccncc1C#N)c1cccc(Br)c1 576172890 RDKAYHLKRLEEMT-SNVBAGLBSA-N 319.227 4.569 30 20 DJED CCc1ccc([C@@H](C)C(=O)Nc2ccc(Cl)c(C#N)c2)cc1 609019858 SIBHAAOMKIVGJS-GFCCVEGCSA-N 312.800 4.516 30 20 DJED O=C(/C=C/c1cccnc1Cl)c1ccc(Cl)c(Cl)c1 726363134 FBMQWJYWPAKIQH-GQCTYLIASA-N 312.583 4.938 30 20 DJED Clc1c(C=NOCc2cccnc2)sc2ccccc12 746588769 SCNMXJYQRBBUBO-UHFFFAOYSA-N 302.786 4.500 30 20 DJED O=C(/C=C\c1coc(-c2ccccc2)n1)c1ccc(F)cc1F 749885319 ARUGOGVAFSVYQR-CLFYSBASSA-N 311.287 4.516 30 20 DJED Cc1cccc(C)c1/C=C\C(=O)c1c(Cl)nc2sccn12 755601531 PJQPYWNZXQBATR-SREVYHEPSA-N 316.813 4.562 30 20 DJED C=CC[C@H](NCCCc1c(F)cccc1Cl)c1ccncc1 775027840 KPSVSCLZURMEGZ-SFHVURJKSA-N 318.823 4.714 30 20 DJED C[C@@H](Nc1cccc(F)n1)c1ccc(-c2cccc(C#N)c2)cc1 782377721 HQGMQBXQNRUFNK-CQSZACIVSA-N 317.367 4.932 30 20 DJED C#CCC1(C(=O)Nc2cccc(-c3nccs3)c2)CCCCC1 788435281 XBZGJLQJXWKVMA-UHFFFAOYSA-N 324.449 4.722 30 20 DJED O=C1/C(=C\c2ccc(C(F)F)cc2)CCc2cc(O)ccc21 794934395 JXHHZTCECHGLFY-ZROIWOOFSA-N 300.304 4.542 30 20 DJED CC(C)(CCC#N)CNC(=O)c1sc2ccccc2c1Cl 805280888 ONHKNQHKUSSYQZ-UHFFFAOYSA-N 320.845 4.614 30 20 DJED CCCC[C@H](C)N(CCCC)C(=O)Cc1ccccc1CC#N 818925415 ZZLVFVFJRRGWOY-KRWDZBQOSA-N 314.473 4.503 30 20 DJED CC(C)Sc1cccc(Cl)c1C=NN[C@@H](C)C(F)(F)F 834998929 ZCNNJUKSUHAVDB-VIFPVBQESA-N 324.799 4.715 30 20 DJED COc1ccc(N[C@@H](C)c2cccc(C#N)c2)c2ccccc12 864020504 DDTFCPZBVLEARI-AWEZNQCLSA-N 302.377 4.893 30 20 DJED C=CCN(C(=O)c1sc2cc(F)ccc2c1Cl)C(C)C 914683525 RATFQBDAAKXTNN-UHFFFAOYSA-N 311.809 4.730 30 20 DJED CC(=NNc1ncccc1C(F)(F)F)c1cc2ccccc2o1 915050768 BJMLADQZFFXTOZ-UHFFFAOYSA-N 319.286 4.683 30 20 DJED COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)cc1F 917143026 UZVXETSVTRHONW-QHHAFSJGSA-N 308.711 4.523 30 20 DJED C=CCN(C(=O)Nc1ccc(OCCCC)cc1C)C(C)C 918547174 USNIKRFBFLKRLI-UHFFFAOYSA-N 304.434 4.602 30 20 DJED N#Cc1ccc(C2CCN(Cc3ccccc3C3CC3)CC2)cc1 1139883160 FBFFPXOLURQMIJ-UHFFFAOYSA-N 316.448 4.815 30 20 DJED N#Cc1ccc(CCN2CCC[C@@H]2c2ccccc2Cl)cc1 1167085778 VXYKGKNGKYJOCR-LJQANCHMSA-N 310.828 4.591 30 20 DJED N#Cc1ccccc1SCCc1cccc(OC(F)(F)F)c1 1188799530 YOUSDBSGIOTVIJ-UHFFFAOYSA-N 323.339 4.792 30 20 DJED N#Cc1cc(F)cc(NCc2ccccc2-c2ccccc2)c1 1203372155 FTABPHUGVWTUCU-UHFFFAOYSA-N 302.352 4.976 30 20 DJED Cc1cc(CN2C[C@@H](C)C[C@H]2c2cccc(F)c2)ccc1C#N 1204307146 KLXOJQMGTFRKFM-XOBRGWDASA-N 308.400 4.589 30 20 DJED COc1ccc(CCSc2ccc(Cl)cc2C#N)cc1 1307310390 LUFNKMGVRVDNMQ-UHFFFAOYSA-N 303.814 4.555 30 20 DJED N#Cc1ccc(CN(Cc2cc(Cl)ccc2F)C2CC2)cc1 1307606465 KDKJZXIPYLZRHP-UHFFFAOYSA-N 314.791 4.515 30 20 DJED N#Cc1csc(CN2C[C@@H]3CCCC[C@]32c2ccccc2)c1 1324776107 OHOOPNGIZDZXAN-HKUYNNGSSA-N 308.450 4.521 30 20 DJED CCC(C)(C)c1ccc(C(=O)N(C)Cc2ccc(C#N)cc2)cc1 1352911718 QNFRNMRAXQCIDI-UHFFFAOYSA-N 320.436 4.518 30 20 DJED N#CC1(CC(=O)N[C@H](CC2CCC2)c2ccccc2)CCCCC1 1520429240 BLVJUFJOUXVYIE-LJQANCHMSA-N 324.468 4.898 30 20 DJED CCCCN(C(=O)c1csc(C#N)c1)[C@@H](C)c1ccccc1 1530558047 YPBRQLOVONNJAR-AWEZNQCLSA-N 312.438 4.623 30 20 DJED Cc1ccc(Oc2cccc(NC(=O)C(C)(C)C#N)c2)c(C)c1 1532542287 QSWYXKOYDUGGBQ-UHFFFAOYSA-N 308.381 4.584 30 20 DJED Cc1ccc(Cl)c2c1N(Cc1cccc(C#N)c1F)CCC2 1559892189 GIECEDBEKJLKSD-UHFFFAOYSA-N 314.791 4.612 30 20 DJED C[C@@H]1CC[C@@H](C(=O)Nc2scc(C(C)(C)C)c2C#N)C[C@H]1C 1584034855 ZLVSYEVDTODUPI-JHJVBQTASA-N 318.486 4.928 30 20 DJED Cc1nc(C#N)cc(S[C@H](C)c2cccc(C(F)(F)F)c2)n1 1612651158 SKVNXKWOWNAVEU-SECBINFHSA-N 323.343 4.529 30 20 DJED N#CCC1(CN[C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 1621294580 JWRQUBKMLPXJPF-DOTOQJQBSA-N 302.849 4.650 30 20 DJED COc1ccccc1[C@H]1CCCN1CCC1(C#N)CCCCC1 1641696371 XOULPLZLIGOXAR-GOSISDBHSA-N 312.457 4.696 30 20 DJED Cc1cccc([C@@H]2CCCCN2Cc2cccc(C#N)c2)c1C 1652575394 KOATYDNNUFSXFJ-NRFANRHFSA-N 304.437 4.902 30 20 DJED C=C(Br)CNC1CCC(C2CCCCC2)CC1 1657144365 GMOJTROQQUXJLL-UHFFFAOYSA-N 300.284 4.624 30 20 DJED C=C(Cl)CN(C)C[C@@H](CC)Oc1ccc(Cl)c(Cl)c1 1658284352 ZSZAOAXWLQPRJT-LLVKDONJSA-N 322.663 4.835 30 20 DJED N#Cc1ccc(CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1Cl 1664435638 RDYODVKFQAFSGL-ZMSDIMECSA-N 302.849 4.660 30 20 DJED CCCOc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)c(C)c1 1665057943 WHHBMARWMHEFIT-QGZVFWFLSA-N 322.452 4.849 30 20 DJED Cc1c(NN=C2CC[C@@](C)(c3ccccc3)C2)cccc1C(=O)O 1776087741 SPMCSOKZBJOADY-HXUWFJFHSA-N 322.408 4.603 30 20 DJED Cc1ccc(-n2c(-c3ccccc3)cnc2S[C@@H](C)C#N)cc1 22333974 TYSHOCXHKGNNOL-HNNXBMFYSA-N 319.433 4.852 30 20 DJED C[C@@H](c1ccccc1Cl)N(C(=O)c1cccc(C#N)c1)C1CC1 45398259 IPKWEHHFDXREDJ-ZDUSSCGKSA-N 324.811 4.577 30 20 DJED C[C@H](Nc1ncccc1C#N)c1cc(F)c(Cl)cc1Cl 46228724 SCZJYCVCGQACAT-QMMMGPOBSA-N 310.159 4.572 30 20 DJED N#CCCCOc1cccc(NCc2cccc(F)c2Cl)c1 92939577 CDOBYWJYVVYDRT-UHFFFAOYSA-N 318.779 4.774 30 20 DJED N#Cc1ccc(SCc2ccccc2Br)cc1 105358242 RGEXQRWPJMFAFZ-UHFFFAOYSA-N 304.212 4.613 30 20 DJED C[C@@H](NCCCCC#N)c1ccc(-c2ccccc2F)s1 178643444 KWSSITIRQDGKBC-CYBMUJFWSA-N 302.418 4.899 30 20 DJED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1nc(C(C)(C)C)cs1 181719170 IAMBDGQJGLUKCB-OLZOCXBDSA-N 313.470 4.724 30 20 DJED Cc1cc(C#N)ccc1COc1ccccc1-c1nccs1 187218948 GTUBKSSUXAKDAS-UHFFFAOYSA-N 306.390 4.569 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccsc1Cl 189314293 QHAAQEOBUPGJEV-UHFFFAOYSA-N 306.818 4.622 30 20 DJED C[C@H](c1ccc(C#N)cc1)N(C)Cc1cccc(C(F)(F)F)c1 195732367 OHCZXMBBBIIDFZ-CYBMUJFWSA-N 318.342 4.770 30 20 DJED C[C@@H]1C[C@@H]1[C@@H](NCc1cc(C#N)cs1)c1ccc(Cl)cc1 246138194 FUJOMOZHSXSLAK-NVGVWMPQSA-N 316.857 4.760 30 20 DJED CCc1ccccc1CSCCCC1(C#N)CCOCC1 281766072 GKEIHBNNUKSLTA-UHFFFAOYSA-N 303.471 4.583 30 20 DJED Cc1oc2ccccc2c1C/C(O)=N/[C@H]1CCCc2occc21 329845511 XYWPLCZNSUNSDQ-INIZCTEOSA-N 309.365 4.911 30 20 DJED CC[C@H](C)n1ncc(N=C(O)N(C)[C@H](C)C2CCCCC2)c1C 330431437 JCDJGIFWYXFTHB-UONOGXRCSA-N 320.481 4.609 30 20 DJED CCc1c(C)sc(NC(=O)c2ccc(C)cc2Cl)c1C#N 427601051 WZVNXKUFCHDSFH-UHFFFAOYSA-N 318.829 4.705 30 20 DJED C[C@@H]1CCC[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 443549155 FRZLXKPMYCTNNI-ZBFHGGJFSA-N 313.445 4.578 30 20 DJED CC[C@@H](NCc1ccc(C)cc1SC)c1ccc(C#N)cc1 447578109 CWWHIJXPBMJCPB-GOSISDBHSA-N 310.466 4.830 30 20 DJED CC1(C#N)CCC(N[C@@H]2CCSc3ccc(Cl)cc32)CC1 449067488 LTVDPBASJPQIMI-GNHJJJEISA-N 320.889 4.939 30 20 DJED Cc1cc2c(cc1C)[C@H](NCCc1cccc(C#N)c1)CCS2 467454411 PHWMOLHDSRMEPN-LJQANCHMSA-N 322.477 4.544 30 20 DJED C=CCN(C(=O)c1ccc(O[C@H](C)c2ccccc2)cc1)C1CC1 472556263 BHLRWGPCWHFCLH-MRXNPFEDSA-N 321.420 4.617 30 20 DJED N#Cc1ccc(Cl)cc1OCc1coc(-c2cccs2)n1 474360200 ZQCQHLPIDPDIDA-UHFFFAOYSA-N 316.769 4.507 30 20 DJED CN(CCC1CCCCC1)C(=O)C[C@@H](CC#N)c1ccccc1 475532277 YHDKRMGDEKVYCY-LJQANCHMSA-N 312.457 4.503 30 20 DJED N#CCCCNC1(c2cccc(C(F)(F)F)c2)CCCCC1 477652705 HXNWOQWHQIUXKO-UHFFFAOYSA-N 310.363 4.758 30 20 DJED N#Cc1ccc(-c2ccccc2)nc1SCCC(F)(F)F 510208404 MQOOJHXYCMUYEJ-UHFFFAOYSA-N 308.328 4.665 30 20 DJED CC(C)(C#N)CCN[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 511813364 FEZHYBIUYGPUBB-HOTGVXAUSA-N 324.390 4.871 30 20 DJED CCCCn1c(S[C@@H](C#N)C2CCCCC2)nc(C)c1C 523712882 KPHOEOHWCVUAQH-INIZCTEOSA-N 305.491 4.865 30 20 DJED C=CCCO[C@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H](C)CC 525077443 ZENXRLBZPCICBE-VBQJREDUSA-N 323.864 4.525 30 20 DJED CCC(C#N)(CC)c1nc(Cc2cc(Cl)ccc2Cl)no1 528125224 INKBIKKCUJHFLB-UHFFFAOYSA-N 324.211 4.549 30 20 DJED C[C@H](NCC1(Sc2ccccc2)CC1)c1cccc(C#N)c1 537289418 WAFKLDLPNZEFDX-HNNXBMFYSA-N 308.450 4.534 30 20 DJED C=CCN(CCc1ccco1)C(=O)Nc1cccc(C)c1Cl 537612045 IAWGDMACMUWWQV-UHFFFAOYSA-N 318.804 4.504 30 20 DJED C[C@H](SCCOCCC#N)c1ccc(Cl)c(Cl)c1 549378360 MXCQPVUNRRHQNP-JTQLQIEISA-N 304.242 4.718 30 20 DJED N#Cc1cc(F)c(N[C@@H]2CCc3sc(Cl)cc32)c(F)c1 578825919 YXERWCLKXGJRDS-LLVKDONJSA-N 310.756 4.651 30 20 DJED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(C2CC2)c1 590254343 BPQLRKDLAYTTLJ-SPLOXXLWSA-N 302.421 4.774 30 20 DJED CC(C)Sc1ccccc1N[C@H](C)CC1(C#N)CCOCC1 602497252 IYPIINGJDMCOAU-OAHLLOKOSA-N 318.486 4.698 30 20 DJED Cc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1C 602756328 RPLDQTPKXGADMG-NSHDSACASA-N 324.449 4.614 30 20 DJED C=CCCCCCN(C)C(=O)c1ccc(-c2ccccc2)nc1C 606814273 IPULCVYZWQPSRP-UHFFFAOYSA-N 322.452 4.875 30 20 DJED CCCN(C(=O)c1sccc1C)c1cc(Cl)ccc1C#N 609286546 XXMYRDORADFFDJ-UHFFFAOYSA-N 318.829 4.638 30 20 DJED CC(C)(C#N)CCN1CCC[C@H]1c1ccccc1Br 611462715 ZCNZKXCXARKJKU-HNNXBMFYSA-N 321.262 4.526 30 20 DJED Cc1cc(C#N)ccc1CN[C@@H](CC1CCC1)c1ccccc1 614407669 VYWKZFWSLIGHSY-NRFANRHFSA-N 304.437 4.888 30 20 DJED C=CCOc1ccc(/C=C2/Cc3ccccc3C2=O)cc1Cl 727264305 PZABNTKXBJKQFN-GDNBJRDFSA-N 310.780 4.727 30 20 DJED Cc1cc2nc(/C=C\c3cccc(OCC#N)c3)sc2cc1C 727744845 MXVZAFSBXAQJNU-SREVYHEPSA-N 320.417 4.986 30 20 DJED Cc1ccc(/C=C/C(=O)c2coc3ccccc23)cc1[N+](=O)[O-] 747704536 BYHBLTXCTIVSGR-CMDGGOBGSA-N 307.305 4.546 30 20 DJED Cc1ccc(-c2ccc(C(=O)O[C@H](C#N)C3CC3)c(F)c2)cc1C 747787910 GVPHXLFBDRHZSL-LJQANCHMSA-N 323.367 4.569 30 20 DJED O=C1/C(=C/c2ccc(Cl)nc2)Cc2c1ccc(Cl)c2Cl 748997365 JTVDEAIXJHHZEQ-WEVVVXLNSA-N 324.594 4.864 30 20 DJED Cc1cccc(C)c1NC(=S)N(c1cccc(C#N)c1)C(C)C 749766584 FGZWIWASYSCHRV-UHFFFAOYSA-N 323.465 4.787 30 20 DJED C#CC[C@H](NCc1cc(Cl)cc(Cl)c1O)c1ccccc1 756997595 YWKBJBSIAYKHAC-INIZCTEOSA-N 320.219 4.553 30 20 DJED O=C(/C=C/c1ccn(-c2ccccc2)n1)c1cc2ccccc2o1 766777725 DVOZQUDNSQEERA-ZHACJKMWSA-N 314.344 4.515 30 20 DJED C#CC[C@@H](N[C@H](C)c1cc(F)c(F)c(F)c1)c1ccccc1 773116012 PAJBJJZAVCFULU-SJKOYZFVSA-N 303.327 4.519 30 20 DJED C#CCCCCC(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C 773425898 JCXVPDNGDPCQOX-GFCCVEGCSA-N 324.251 4.633 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc(N2CCCC2)cc1 776803132 STXJWXKGXIGKFD-NRFANRHFSA-N 317.436 4.648 30 20 DJED Cc1ccc2c(c1)CC[C@@H]2Nc1cccc(OCCCC#N)c1 776841350 IXNLIOLJUFESSS-FQEVSTJZSA-N 306.409 4.777 30 20 DJED C#CCCCCCC(=O)N1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 779957688 DTOQSTSXTKCCRU-NQIIRXRSSA-N 311.469 4.878 30 20 DJED CCCCCCCCCN1CCC(C#N)(c2ccccn2)CC1 800408469 UOMROFBSPKMZEJ-UHFFFAOYSA-N 313.489 4.689 30 20 DJED C=CCCC(CCC)=NNc1nnc(-c2ccccc2)s1 814947905 PPINYXUDCASORT-UHFFFAOYSA-N 300.431 4.739 30 20 DJED CCN(Cc1cc2cc(Cl)ccc2nc1Cl)C[C@H](C)C#N 846790390 SSVOUUDZHWVPTJ-LLVKDONJSA-N 322.239 4.523 30 20 DJED CC(C)[C@H](C#N)c1ccc(-c2cnn([C@@H]3CCCCO3)c2)cc1 854209142 FIAVZSWVMCGAGW-OALUTQOASA-N 309.413 4.512 30 20 DJED CSc1ccc(C(=O)N(O)Cc2cccc3ccccc23)cc1 901370250 CAACDWKYJFQTME-UHFFFAOYSA-N 323.417 4.593 30 20 DJED COc1cccc2cc(/C=C\C(=O)c3ccccc3Cl)oc12 916135283 OXMIDVUGGZZZCL-KTKRTIGZSA-N 312.752 4.991 30 20 DJED N#Cc1ccccc1N(Cc1ccco1)C(=O)C=C1CCCCC1 919998975 QRGZGCFYFHSXBH-UHFFFAOYSA-N 320.392 4.575 30 20 DJED COc1cccc(C=Nc2cccc(-c3csc(C)n3)c2)c1O 920944801 LDIYRJNDUUGMSQ-UHFFFAOYSA-N 324.405 4.583 30 20 DJED N#Cc1c(CS[C@@H]2CCOc3ccccc32)cn2ccccc12 1165818379 UXCOHMIGRFJTNM-LJQANCHMSA-N 320.417 4.568 30 20 DJED N#Cc1ccc(CN2CCC[C@H]2C2CCCCC2)c(Cl)c1 1167072837 UYAFALDJNYPJOR-SFHVURJKSA-N 302.849 4.756 30 20 DJED Cc1cc(N[C@H]2CC(C)(C)CCc3ccccc32)ncc1C#N 1186230498 DUHBMPFRRAFYNG-SFHVURJKSA-N 305.425 4.777 30 20 DJED N#Cc1ccnc(CSC2CCC(c3ccccc3)CC2)c1 1190062774 BYRDMANMHUKDJV-UHFFFAOYSA-N 308.450 4.913 30 20 DJED Cc1c(C#N)cccc1C(=O)N1CCCCC[C@@H]1c1ccccc1 1264865569 UQGXQIAPSJGPOX-HXUWFJFHSA-N 318.420 4.624 30 20 DJED C=CCC1(c2nnc(CCSc3ccc(F)cc3)o2)CCC1 1329097380 URCGNGNMGIFNIT-UHFFFAOYSA-N 318.417 4.541 30 20 DJED C=CCC[C@H]1CCCN1C(=O)Nc1c(C)cccc1OC(F)F 1345223811 PQJQXNUTSFCMLZ-ZDUSSCGKSA-N 324.371 4.559 30 20 DJED C[C@H]1CC[C@@](C)(C(=O)Nc2ccc(C#N)c(Cl)c2)C1(C)C 1348338298 GLQGVIGQGUQEML-GTNSWQLSSA-N 304.821 4.613 30 20 DJED CC[C@@H](C)Oc1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)cc1 1524303455 YHTSMHQWXKXWFI-HUUCEWRRSA-N 323.392 4.654 30 20 DJED N#Cc1cc(NC(=O)CCCC2CCCCC2)ccc1Cl 1525221325 YHVCHEYFFDMCFG-UHFFFAOYSA-N 304.821 4.901 30 20 DJED C[C@@H](CCNC(=O)c1ccc(C(C)(C)C#N)cc1)CC(C)(C)C 1529048337 MIJZYHUKOTWVHY-HNNXBMFYSA-N 314.473 4.680 30 20 DJED CCC(C)(C)c1ccc(C(=O)Nc2cc(F)cc(C#N)c2)cc1 1535371287 AIRORTYFTJQXJN-UHFFFAOYSA-N 310.372 4.637 30 20 DJED CCC[C@H]1CCC[C@H]1C(=O)N(c1cccc(C#N)c1)C1CCC1 1587314067 HWMHDVVQRKHXHT-QFBILLFUSA-N 310.441 4.660 30 20 DJED CC(C)c1ccc(C[C@@H]2CCN(Cc3cccc(C#N)c3)C2)cc1 1616980643 CFEWJNYTPVSWBS-NRFANRHFSA-N 318.464 4.746 30 20 DJED CNc1ccc(C#N)cc1NC(=O)CC(C)(C)C1CCCCC1 1633875914 WAVIWSJPYHHVSY-UHFFFAOYSA-N 313.445 4.535 30 20 DJED Cc1cc([C@H](C)Nc2c(Br)cccc2C#N)c(C)o1 1642165531 MGPYTFQKJZBEPZ-JTQLQIEISA-N 319.202 4.704 30 20 DJED C[C@@H](NCCC1(C#N)CCCCC1)c1c(F)cccc1Cl 1642439703 FCEAJCIMLSXESY-CYBMUJFWSA-N 308.828 4.994 30 20 DJED N#Cc1ccc(N[C@H]2CCc3ccc(-c4ccccc4)cc32)nc1 1642605171 SUWOEBIYWWUJAD-FQEVSTJZSA-N 311.388 4.720 30 20 DJED Cc1nc(Sc2ccc(F)c(Cl)c2)c(Cl)cc1C#N 1649284363 HLAJWKRJPDBQAD-UHFFFAOYSA-N 313.184 4.859 30 20 DJED CC(C)[C@@H]1C[C@H](Nc2c(C#N)cccc2C#N)c2ccccc21 1651321547 XZKLNZIGBPYIIB-OALUTQOASA-N 301.393 4.726 30 20 DJED CC1(C)C[C@]1(NCc1ccc(C#N)cc1Cl)c1ccccc1 1654353718 KZRNVIQDQOTELZ-IBGZPJMESA-N 310.828 4.627 30 20 DJED CCC1(CC)CN(Cc2ccc(C#N)c(C)c2)c2ccccc21 1658803665 WKEWVBDCHFBTGW-UHFFFAOYSA-N 304.437 4.945 30 20 DJED Cc1ccc2c(c1)SCCCN2Cc1ccc(C#N)cc1F 1659932822 ISJHSLPAFNASSK-UHFFFAOYSA-N 312.413 4.508 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1cc(C)ccc1C 1776782958 PBCMPGUUCJKGEX-GOSISDBHSA-N 305.462 4.597 30 20 DJED Cc1ccc(C)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 6425964 QSRLCLSROMVFOA-LBPRGKRZSA-N 324.449 4.614 30 20 DJED C[C@H](Nc1ccc(CC#N)cc1)c1ccc(C(F)(F)F)cc1 78991355 JXTQSZZFVIXOOY-LBPRGKRZSA-N 304.315 4.945 30 20 DJED COc1ccc2c(c1)CCC[C@@H]2N[C@@H](CCC#N)c1ccccc1 90665031 FHNREWQIRGRYGK-SFTDATJTSA-N 320.436 4.707 30 20 DJED N#Cc1ccc(SCc2csc(C3CC3)n2)c(Cl)c1 126779493 RHHPFEMUFRRYBN-UHFFFAOYSA-N 306.843 4.838 30 20 DJED C=CCC[C@H](NC(=O)N(C)[C@@H](C)c1ccco1)c1ccccc1 160443327 XEGKGKQFJUQXMO-RDJZCZTQSA-N 312.413 4.690 30 20 DJED CC(C)Oc1c(Cl)cccc1NCc1ccc(C#N)s1 176972089 HUXSGNICRYPGEJ-UHFFFAOYSA-N 306.818 4.672 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1F)c1ccccc1C(F)(F)F 177858806 DXVNZWGXXKKELS-LLVKDONJSA-N 322.305 4.567 30 20 DJED C[C@H]1Cc2ccccc2[C@H]1Nc1cccc(OCCCC#N)c1 179824948 XNPFMWNOKHJDNZ-YWZLYKJASA-N 306.409 4.715 30 20 DJED Cn1ccc2cccc(NCc3ccccc3C(C)(C)C#N)c21 190813680 ZFNPIQXWWJRDRN-UHFFFAOYSA-N 303.409 4.592 30 20 DJED C[C@@H](NCc1ccc(OCC#N)cc1)c1cccc2ccccc12 194888645 QXCUQZHHGBTVJK-MRXNPFEDSA-N 316.404 4.593 30 20 DJED N#Cc1ccc(CNc2cccc(OC3CCCC3)c2)c(F)c1 219634431 BZHKPHDVOUURQC-UHFFFAOYSA-N 310.372 4.631 30 20 DJED N#Cc1cccc(CNCc2ccc(-c3ccccc3Cl)o2)c1 237660573 DOPXUVMVLCZDJJ-UHFFFAOYSA-N 322.795 4.761 30 20 DJED CCOc1cccc([C@@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)c1 271924232 FVGSZEKJDKULDD-ZIAGYGMSSA-N 312.388 4.508 30 20 DJED COC[C@@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 302848421 HRVZZVBPERPXRC-MRXNPFEDSA-N 321.207 4.665 30 20 DJED Cc1cc(C#N)cc(NCc2ccc(C)cc2Br)c1 308120818 HQIXNNIAIBCXLU-UHFFFAOYSA-N 315.214 4.550 30 20 DJED N#Cc1ccc(N[C@@H](c2ccccc2)c2ccc(F)cc2)cc1 320266746 DGNDSCRLHBVPAN-FQEVSTJZSA-N 302.352 4.899 30 20 DJED CC[C@@](C)(NCCC1(C#N)CCCCC1)c1nc(C)cs1 411394860 YMGORRGFYOAKSC-MRXNPFEDSA-N 305.491 4.531 30 20 DJED C[C@@H](Sc1nc2c(cc1C#N)CCCC2)c1cccc(C#N)c1 442918171 IXXYTAJGBVVQRL-CYBMUJFWSA-N 319.433 4.557 30 20 DJED C=CC[C@@H]1N(Cc2csc([C@@H](C)OCC)n2)CCCC1(C)C 444776461 CCOWHTFNBXWFNF-ZBFHGGJFSA-N 322.518 4.807 30 20 DJED CC1(C#N)CCC(Nc2ccccc2OCC(F)(F)F)CC1 449044504 ATKAQRRAKAJZAO-UHFFFAOYSA-N 312.335 4.512 30 20 DJED COc1ccccc1[C@@H](C)SCc1ccc(F)cc1C#N 463193260 QVYXOFWXYVULHQ-GFCCVEGCSA-N 301.386 4.700 30 20 DJED Cc1cc(C(=O)CSc2cccc(C#N)c2)c(Cl)cc1F 471240903 CVVJWNOMTYSHQX-UHFFFAOYSA-N 319.788 4.634 30 20 DJED Cc1coc(SCc2ccc(-c3ccccc3C#N)cc2)n1 478718186 KGHKTZLTFNONRL-UHFFFAOYSA-N 306.390 4.814 30 20 DJED CCN(C(=O)c1cc(C)c(F)c(C)c1)[C@@H](C)c1ccc(C#N)cc1 487942712 HLZRHMOLZDLALU-HNNXBMFYSA-N 324.399 4.538 30 20 DJED C=CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 521971935 RMTQFHITKQTNMA-UHFFFAOYSA-N 321.449 4.761 30 20 DJED C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1cccc(C#N)c1 524852378 RLSMIYHVDJUAOH-MRXNPFEDSA-N 318.420 4.562 30 20 DJED Cc1ccc(-c2nc(CSc3ccc(C#N)cc3F)co2)cc1 525631201 UQQXPOKJDLRTQJ-UHFFFAOYSA-N 324.380 4.953 30 20 DJED N#Cc1ccnc(N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)c1Cl 553251373 PJFOIMBLWUWEIS-BJWYYQGGSA-N 323.827 4.522 30 20 DJED Cc1cc(Oc2c(C#N)nnc3ccccc23)cc(C)c1Cl 565863906 OWPZSOOOHDYXEB-UHFFFAOYSA-N 309.756 4.564 30 20 DJED CC[C@H](C)CCC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 579298380 YJFAYIKSQRGZPK-AWEZNQCLSA-N 323.396 4.510 30 20 DJED Cc1csc(NC(=O)c2oc3c(C)ccc(C)c3c2C)c1C#N 584137911 LDBHYQHJIQGODT-UHFFFAOYSA-N 324.405 4.852 30 20 DJED Cc1oc(C(C)C)cc1C(=O)N(CC#N)c1ccc(Cl)cc1 592652019 JWYZEBUSEUSPDO-UHFFFAOYSA-N 316.788 4.535 30 20 DJED N#C[C@H](N[C@H](c1ccc(F)c(Cl)c1)C1CC1)c1ccccc1 595510020 JAMQXJTVZMTXAN-ROUUACIJSA-N 314.791 4.785 30 20 DJED N#CCC[C@@H](NCc1ccsc1C(F)(F)F)c1ccccc1 600143025 VJSMUKQAVZZVHP-CQSZACIVSA-N 324.371 4.902 30 20 DJED C[C@@H](NCc1cc(C(F)(F)F)ccc1F)c1ccc(C#N)cc1 609598455 LGJQTIXJDSAJFD-LLVKDONJSA-N 322.305 4.567 30 20 DJED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccsc3)c2)cc1 609835724 IQYBZXGXFAGIHI-UHFFFAOYSA-N 320.373 4.664 30 20 DJED Cc1ccnc(CSc2nc(-c3ccccc3)ccc2C#N)c1 616212925 MDGXTRJRRVQTRL-UHFFFAOYSA-N 317.417 4.616 30 20 DJED Cc1ccc([C@@H](NCc2ccc(C#N)c(Cl)c2)C2CC2)cc1 619754522 BYLVMVJGZAAPOG-LJQANCHMSA-N 310.828 4.761 30 20 DJED CC(C)(C)c1ncc(/C=C2/C(=O)c3ccccc3C2(C)C)s1 736434450 SRIHYBJAJGCXIB-GDNBJRDFSA-N 311.450 4.998 30 20 DJED O=C(/C=C/c1ccccc1F)c1cccc(-c2ccncc2)c1 741473875 TYDJEPOTUHWJAL-CMDGGOBGSA-N 303.336 4.784 30 20 DJED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(Cl)s1)CC2 741848847 QDXAZUNRQMEEMT-FLIBITNWSA-N 304.798 4.623 30 20 DJED CC(=NNc1ccc(Cl)nc1)c1cc(Cl)sc1Cl 743450847 RQURNESECKUORI-UHFFFAOYSA-N 320.632 4.939 30 20 DJED C#Cc1cccc(N(Cc2ccco2)C(=O)C(CC=C)CC=C)c1 758481961 IGZNHGJNHUHXSF-UHFFFAOYSA-N 319.404 4.563 30 20 DJED N#CCOc1cc(F)ccc1NC/C=C/c1ccc(Cl)cc1 779605250 UATGVOKYJNVTCH-OWOJBTEDSA-N 316.763 4.507 30 20 DJED Cc1c(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)cnn1C(C)C 787186447 BXQACKRFYNGXFT-ALCCZGGFSA-N 323.223 4.975 30 20 DJED CC(=NNc1nc2ccccc2s1)C1CCC(F)(F)CC1 788699353 VFYRUUTXGZQBGO-UHFFFAOYSA-N 309.385 4.910 30 20 DJED CCCCCCCCNC(=O)N1CCC(CC(F)(F)F)CC1 790797505 SCQXDPIALHXHIQ-UHFFFAOYSA-N 322.415 4.721 30 20 DJED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(Cl)cc1O 841747624 CXROCODDQRQKEL-GUYCJALGSA-N 314.816 4.741 30 20 DJED CCCCC1CCC(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)CC1 916650422 NTGZTOGNKOERCD-UYSNPLJNSA-N 323.440 4.736 30 20 DJED Cc1ccccc1C=NOCc1c(Cl)ccc2cccnc12 917394917 WYBRWHNRKJSFJV-UHFFFAOYSA-N 310.784 4.747 30 20 DJED CC(=NNc1ncccc1Cl)c1ccccc1C(F)(F)F 917546396 LJHOPMKWGUDVNL-UHFFFAOYSA-N 313.710 4.590 30 20 DJED Cc1ccc(-c2nc(/C=C\C(=O)c3cccc(O)c3)cs2)cc1 918711814 BHUGXYDMPULEGA-KTKRTIGZSA-N 321.401 4.720 30 20 DJED CC(C)(C)c1n[nH]cc1/C=C\C(=O)c1ccc(C(F)(F)F)cc1 920068409 LHNYPJRAFHFPEK-TWGQIWQCSA-N 322.330 4.622 30 20 DJED CCOc1ccc(/C=C2\C(=O)c3ccccc3C2(C)C)cc1OC 920070295 NAUKOXJSLHQHJZ-SFQUDFHCSA-N 322.404 4.651 30 20 DJED Cc1cc(N=Cc2ccccc2O)ccc1Oc1cccnc1 920177983 MVTXDRLTVZXTPU-UHFFFAOYSA-N 304.349 4.639 30 20 DJED Cc1ccc2oc(C(=O)O[C@@H](C)c3cccc(C#N)c3)cc2c1 1127090965 YWFKUBRHVNUALJ-ZDUSSCGKSA-N 305.333 4.531 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1csc2ccccc12 1129983473 CZEMXBWODMZCDF-ZDUSSCGKSA-N 320.417 4.606 30 20 DJED Cc1ccc(SC[C@H](C)Nc2nc(C#N)c(Cl)s2)cc1 1163083871 KDWCUQSUEROASU-JTQLQIEISA-N 323.874 4.569 30 20 DJED C[C@H](NCc1ccc(C#N)c(Cl)c1)[C@H]1CC2CCC1CC2 1181163578 RXRLPTCVKDRJMI-HEAFNYJSSA-N 302.849 4.516 30 20 DJED CC[C@@H](Cc1ccc(Cl)cc1)N[C@H](C)c1cccc(C#N)c1 1183800155 MHHLXJNNWGSWHT-KUHUBIRLSA-N 312.844 4.884 30 20 DJED C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1ccc(Cl)cc1C#N 1191444249 JYFPCXYSIBCETB-KUHUBIRLSA-N 310.828 4.590 30 20 DJED CCC(CC)CN(CCC#N)C[C@H](C)c1cc(F)cc(F)c1 1204496288 FCUPYFJQGISGRW-AWEZNQCLSA-N 308.416 4.720 30 20 DJED CN(Cc1ccc(F)c(C#N)c1)Cc1cccc(Cl)c1Cl 1205493663 IEUCPFHBACHHLL-UHFFFAOYSA-N 323.198 4.636 30 20 DJED C#CC[C@H](N[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21)c1ccccc1 1321037296 KCESDEVOPJCNRZ-BPQIPLTHSA-N 305.421 4.603 30 20 DJED COc1cc(O)ccc1C=NN(c1ccccc1)c1ccccc1 1321566411 SAMKEFUTZKBKJI-UHFFFAOYSA-N 318.376 4.573 30 20 DJED CC(C)Sc1ccccc1-c1nnc(-c2cccc(C#N)c2)o1 1322412051 PWFRDEXSJVZVEU-UHFFFAOYSA-N 321.405 4.776 30 20 DJED Cc1ccc2[nH]c(C(=O)Nc3cc(C#N)ccc3C)c(Cl)c2c1 1330515787 QTCQTVWGRIDRDU-UHFFFAOYSA-N 323.783 4.562 30 20 DJED Cc1cc(C)c(C#N)c(N[C@@H](C)c2csc3ccccc23)n1 1337681481 HOERDVGYRGCPTO-ZDUSSCGKSA-N 307.422 4.958 30 20 DJED N#Cc1ccccc1OCc1cc(Cl)cc(Br)c1 1458833666 JATBFUFSCIONGY-UHFFFAOYSA-N 322.589 4.553 30 20 DJED CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(C#N)cc1 1523019525 LSODYLXGKDPABH-RCCFBDPRSA-N 310.441 4.518 30 20 DJED CC(C)c1ccc(/C=C/CC(=O)Nc2cccc(C#N)c2)cc1 1523612348 NCXKHDOQDZIRSX-SNAWJCMRSA-N 304.393 4.724 30 20 DJED Cc1cc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)ccc1F 1542840486 LFBGFFZBUVDIFX-UHFFFAOYSA-N 323.154 4.565 30 20 DJED CC1(C)[C@H](c2ccccc2)CCN1Cc1ccc(C#N)cc1Cl 1559919474 JOQLQWPFUOKGRA-SFHVURJKSA-N 324.855 4.980 30 20 DJED CC[C@@H](Cc1ccccc1)N(CC)Cc1ccc(C#N)cc1F 1560661581 FMMJBFBNYLCKQT-IBGZPJMESA-N 310.416 4.541 30 20 DJED N#Cc1ccc(CSCC2CCCCC2)c(OC(F)F)c1 1613502069 YPGMCLLPWYAWJL-UHFFFAOYSA-N 311.397 4.973 30 20 DJED Cc1ccc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(Cl)c1 1615607474 INJNDKQYEOOSLW-UYAOXDASSA-N 324.855 4.920 30 20 DJED CC(C)[C@H](CNc1ncc(C#N)cc1Cl)Cc1ccccc1 1642591491 JCLBPEQVBAIIRM-INIZCTEOSA-N 313.832 4.533 30 20 DJED C=C(Br)CN(C)C1c2ccccc2-c2ccccc21 1653712694 KVJMXQDRYXBLRQ-UHFFFAOYSA-N 314.226 4.597 30 20 DJED Cc1cccc2c1CC[C@@H]2Nc1nc(C(C)(C)C)ccc1C#N 1655114614 ZFMUBWFBJJESKF-KRWDZBQOSA-N 305.425 4.659 30 20 DJED COc1cc(CN[C@@H]2CCC[C@H](C(C)(C)C)CC2)ccc1C#N 1656099017 REPDJUHLYONHOW-ZWKOTPCHSA-N 314.473 4.651 30 20 DJED C[C@H](c1cccc(C#N)c1)N1CCc2cc(C(C)(C)C)ccc2C1 1657136365 ZPKSCWLAEWFARU-MRXNPFEDSA-N 318.464 4.975 30 20 DJED CCc1ccc([C@@H](NCCc2ccc(C#N)cc2)C(C)C)cc1 1657703067 QTPDYPQSTDNFPL-NRFANRHFSA-N 306.453 4.650 30 20 DJED CCN(C/C=C\c1ccc(OCc2ccccc2)cc1)CCC#N 1659326032 UMCYCQGYDGVUAK-POHAHGRESA-N 320.436 4.514 30 20 DJED Cc1cc(C)cc(-c2nnc(SCc3ccc(C#N)cc3)o2)c1 7159335 WPFIBRVEZXRLQG-UHFFFAOYSA-N 321.405 4.517 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(C(C)C)cc1 60017592 VQWHQQFODKIMAR-UHFFFAOYSA-N 322.408 4.721 30 20 DJED N#CCCSc1ccccc1NC(=O)CCCC1CCCC1 80125003 CWXVDRXXMDQWNC-UHFFFAOYSA-N 316.470 4.991 30 20 DJED Cc1cc2cc([C@H](C)NCc3cccc(C#N)c3)oc2cc1C 151373263 QJVONMCLHNVVTG-HNNXBMFYSA-N 304.393 4.772 30 20 DJED C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(OC(F)F)cc1 174357997 SPGYFQCHEWBQDW-STQMWFEESA-N 316.351 4.571 30 20 DJED CC(C)Oc1ccc(C#N)cc1N[C@@H](C)c1nc2ccccc2o1 182067428 MIVGPEYAFRYPKL-ZDUSSCGKSA-N 321.380 4.660 30 20 DJED CC[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccc(C)cc1 192995802 OAURFSQDDDBGPI-OXJNMPFZSA-N 308.425 4.699 30 20 DJED N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1nc2ccccc2s1 301456243 SCXOTLAFNLGQFD-DOTOQJQBSA-N 319.433 4.572 30 20 DJED C=CCNC(=O)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1 303950704 SZPAAHVZLISMHC-UHFFFAOYSA-N 324.182 4.715 30 20 DJED OC(=Nc1csc(-c2ccccn2)n1)C1CCCCCC1 329579376 WOLSMGUJTLHLDD-UHFFFAOYSA-N 301.415 4.764 30 20 DJED CC(C)(C)C1CCC(C/N=C(/O)C[C@@H]2CCCC(O)=N2)CC1 329625292 GJKRPTRHCWQJBU-NRXISQOPSA-N 308.466 4.695 30 20 DJED C[C@@H](C/C(O)=N/Cc1nnc(C(C)(C)C)s1)C1CCCCC1 329811934 CBXHCEMYZATOAD-LBPRGKRZSA-N 323.506 4.899 30 20 DJED Cc1nc(C)c(N/C(O)=N/[C@@H](C)c2ccc(Cl)s2)s1 330934604 JNOJRRCNJWSTIY-LURJTMIESA-N 315.851 4.562 30 20 DJED C=CCC[C@@H](NC(=O)Nc1cscc1C)c1ccccc1 439488355 ZJWRDDWXAXJRKU-OAHLLOKOSA-N 300.427 4.886 30 20 DJED C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc(C#N)c1 462294734 GCLLIAJDCFGTAT-JTQLQIEISA-N 319.191 4.607 30 20 DJED C=CCCN(C)C(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1 468190007 WAUMXFQSGSEUDO-UHFFFAOYSA-N 315.363 4.588 30 20 DJED C[C@@H](Sc1cccc(C#N)c1)C(=O)c1ccc(Cl)cc1 468633494 UYWLNBMETVZTQA-LLVKDONJSA-N 301.798 4.575 30 20 DJED CC(=O)c1ccc(OCc2ccccc2C(C)(C)C#N)c(C)c1 486907262 ZEYXXYCZAJEZIF-UHFFFAOYSA-N 307.393 4.578 30 20 DJED Cc1c(C#N)cccc1NCc1ccc(Sc2ccccn2)o1 512280797 XHLRNQJWIUWKQG-UHFFFAOYSA-N 321.405 4.618 30 20 DJED N#CC1(C(=O)Nc2ccc3oc4ccccc4c3c2)CCCCC1 516258664 MDEIQUPGOQQWFJ-UHFFFAOYSA-N 318.376 4.999 30 20 DJED Cc1cccc([C@@H]2CCCCCN2C(=O)c2cccc(C#N)c2)c1 522731883 KCRAKEQASNZEFF-FQEVSTJZSA-N 318.420 4.624 30 20 DJED C[C@@H](SCc1cc(C#N)ccc1F)c1ccc(F)c(F)c1 522961236 KNWZSHRQAVZZTB-SNVBAGLBSA-N 307.340 4.970 30 20 DJED C=CCCCCCN(C)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 524800862 KIKWDVBIHZYNFI-RBUKOAKNSA-N 314.473 4.711 30 20 DJED C[C@](C#N)(NC(=O)c1cc2cscc2s1)C1CCCCC1 528582101 NXMCDXUDRSYIIR-MRXNPFEDSA-N 318.467 4.555 30 20 DJED Cc1c(COC(C)(C)C)cccc1NCc1ccc(C#N)s1 537718689 PVVWRISSFHLSPQ-UHFFFAOYSA-N 314.454 4.855 30 20 DJED C=C(C)[C@@H](NCc1ccc(F)cc1C)c1ccc(F)c(F)c1 547512687 AZAGSRHVNDRQPO-GOSISDBHSA-N 305.343 4.819 30 20 DJED CCC[C@H]1CCc2ccccc2N1C(=O)c1ccc(CC#N)cc1 550843354 YCDJIRWMFHRCNP-IBGZPJMESA-N 318.420 4.514 30 20 DJED N#Cc1ccnc(NCCCCCOC2CCCCC2)c1Cl 553058796 OSUHGXVPKVAHSZ-UHFFFAOYSA-N 321.852 4.538 30 20 DJED Cc1cc(NCC(C)(C)CCC#N)c2ccc(F)c(F)c2n1 558045058 YPNNGQNNYJSFDP-UHFFFAOYSA-N 303.356 4.563 30 20 DJED CC[C@](C)(C#N)C(=O)Nc1cc(Cl)ccc1SC(C)C 558103614 HRCWPWGCCYDZJT-OAHLLOKOSA-N 310.850 4.719 30 20 DJED Cc1ccc(C(F)(F)F)cc1NC(=O)CC1(C#N)CCCCC1 597328006 HMQFKSPALRBNPE-UHFFFAOYSA-N 324.346 4.817 30 20 DJED C=CCCCCCN(C)C(=O)CCCc1c[nH]c2ccccc12 606814489 LPZQXCWAQIAONA-UHFFFAOYSA-N 312.457 4.695 30 20 DJED C[C@@H](SCCOc1ccccc1F)c1ccc(C#N)cc1 609825315 QCUINMALNACBFO-CYBMUJFWSA-N 301.386 4.571 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(Cl)c(Cl)c1 618741727 LMYOEWHFEGIOLT-QGZVFWFLSA-N 317.219 4.642 30 20 DJED CCCCOc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 618742028 PLZZIFDMHCCMEG-NRFANRHFSA-N 320.436 4.514 30 20 DJED Cc1ccc2c(c1)[C@@H](N[C@@H]1CCc3cc(C#N)ccc31)CCC2 618807419 ULIYPZRBPSTDIH-LEWJYISDSA-N 302.421 4.521 30 20 DJED CCCCCC[C@@H](CC)C(=O)N(C)Cc1ccc(C#N)cc1 734999584 SGFDJNINWPIUAN-GOSISDBHSA-N 300.446 4.513 30 20 DJED Cc1cccc([C@H](C)C(=O)[C@H](C#N)c2ccc3ccccc3n2)c1 740527594 HRAMGCXDNVNAHI-MAUKXSAKSA-N 314.388 4.523 30 20 DJED CC(=NNc1oc(C(C)C)nc1C#N)c1ccc2ccccc2c1 745624956 QLHRYQRTCAYWMT-UHFFFAOYSA-N 318.380 4.659 30 20 DJED COc1cccc(C=Nc2ccc(-c3nc(C)cs3)cc2)c1O 750949978 LSWVUIQMLRPWSH-UHFFFAOYSA-N 324.405 4.583 30 20 DJED CC(C)c1nc(C(=O)/C=C\c2cccc(C(F)(F)F)c2)co1 752879427 GXPKLXGLFFRYFT-SREVYHEPSA-N 309.287 4.713 30 20 DJED C#CCCCC(=O)Nc1ccc(Sc2ccccc2)cc1C 757870651 HDSMFNBVNXMJAV-UHFFFAOYSA-N 309.434 4.888 30 20 DJED O=C(/C=C\c1cccc(C(F)(F)F)c1)c1ccc(Cl)nc1 759084736 WZWVELBQWCUPQQ-XQRVVYSFSA-N 311.690 4.650 30 20 DJED CC(C)N(Cc1ccc(O[C@@H](C)C#N)cc1)C1CCCCC1 768159166 BTMMRWNJPXOQFI-INIZCTEOSA-N 300.446 4.521 30 20 DJED CC(C)c1nccnc1NN=C1CC(c2ccc(Cl)cc2)C1 773090611 JHEPYLOSKIFPKR-UHFFFAOYSA-N 314.820 4.599 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2csc3ccccc23)cc1F 776727341 WKQWNJOPYPTCHB-FPLPWBNLSA-N 307.349 4.808 30 20 DJED C=CCC[C@@H](Nc1ccc(OC2CCOCC2)c(C)c1)C1CC1 777698130 RVBBYTPRZOBCDI-LJQANCHMSA-N 315.457 4.710 30 20 DJED Cc1c(C(=O)/C=C\c2sccc2Cl)cnn1C(C)(C)C 782353321 AHXILFSIDJJHMP-WAYWQWQTSA-N 308.834 4.558 30 20 DJED CC(C)Sc1ccc(C(=O)/C=C/c2ccnn2C(C)C)cc1 794943495 YWROTIJCIRAHED-JXMROGBWSA-N 314.454 4.861 30 20 DJED COc1cc(CN[C@H](C)c2csc3ccccc23)ccc1C#N 799337265 FENHVUANSYPHBH-CYBMUJFWSA-N 322.433 4.632 30 20 DJED N#C[C@H]1CC[C@H](Nc2ccc(OC3CCCC3)c(Cl)c2)C1 799721583 MQENVZSVZSMYPR-STQMWFEESA-N 304.821 4.766 30 20 DJED C[C@H](Nc1ccc(C#N)cc1F)c1cccc(OC(F)(F)F)c1 864010651 IIBNVZRPZFBMOF-JTQLQIEISA-N 324.277 4.769 30 20 DJED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(C(C)(C)O)cc1 925602576 WKLUBYGJGJPTGQ-OXQOHEQNSA-N 322.452 4.610 30 20 DJED Cc1oc(C(C)(C)C)cc1C(=O)[C@H](C#N)c1nc2ccccc2o1 1122606174 IKWUIOKYPZGHGW-ZDUSSCGKSA-N 322.364 4.517 30 20 DJED COc1cc(OCc2c(C)c(C)c(C)c(C)c2C)ccc1C#N 1166086159 QLDHHJUDLOCZIY-UHFFFAOYSA-N 309.409 4.688 30 20 DJED C[C@@H](Cc1ccc2ccccc2n1)Sc1ccc(C#N)cc1 1188650416 PKOQRKSAFJYXOG-AWEZNQCLSA-N 304.418 4.830 30 20 DJED N#CC1(CN[C@H](Cc2ccc(Cl)cc2)C2CCCCC2)CC1 1192594254 GQDKBGGBVVOUQQ-GOSISDBHSA-N 316.876 4.725 30 20 DJED C=CCCc1nnc(-c2ccc(-c3ccc(F)cc3)s2)o1 1257844290 RLJNAXYCSLIQQB-UHFFFAOYSA-N 300.358 4.723 30 20 DJED C[C@@H]1c2c(sc(NC(=O)CC(C)(C)C)c2C#N)CC[C@H]1C 1274493000 STYQUEGTUVWKDS-MNOVXSKESA-N 304.459 4.680 30 20 DJED CN(Cc1ccc(C#N)s1)c1ccc(-c2ccccc2)cc1 1307504330 XHAWTLHXVGREPY-UHFFFAOYSA-N 304.418 4.923 30 20 DJED N#Cc1c(F)cccc1CNC[C@@H]1CCCC[C@@H]1c1ccccc1 1308765084 FIDBXMDJNSAQBY-PKOBYXMFSA-N 322.427 4.761 30 20 DJED Cc1cc(NC(=O)CC2(C#N)CCCCC2)c2cccnc2c1C 1354818042 JJEJEBZNBGZCOD-UHFFFAOYSA-N 321.424 4.654 30 20 DJED N#CC[C@@H](C(=O)OCc1cc2ccccc2s1)c1ccccc1 1436466301 ZQGXSWMSFLQMFB-QGZVFWFLSA-N 321.401 4.642 30 20 DJED CCC1(CC)CCC(NC(=O)Nc2cccc(C#N)c2C)CC1 1465873478 YQZOIKMQLZYEKA-UHFFFAOYSA-N 313.445 4.737 30 20 DJED C[C@@H]1CCCN(C(=O)CC2(C#N)CCCCC2)c2ccccc21 1521525545 PDYICHWOCGKKEY-MRXNPFEDSA-N 310.441 4.781 30 20 DJED CC(C)C(C)(C)C(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@H]2C 1523479710 YOSVDSCMACYXRL-NWDGAFQWSA-N 318.486 4.926 30 20 DJED CC[C@H](OC(=O)CC(C)(C)C#N)c1ccc(C(C)(C)C)cc1 1527494462 SCXKHZLHFKDITO-INIZCTEOSA-N 301.430 4.918 30 20 DJED CC(C)N(Cc1ccc(F)cc1C#N)c1ccc(Cl)cc1 1559624054 VDZFITPMGBETGO-UHFFFAOYSA-N 302.780 4.766 30 20 DJED Cc1c(C#N)cccc1C(=O)N1CC[C@H](CC(C)(C)C)C1(C)C 1584833910 KTZHLOPDMZYHNU-MRXNPFEDSA-N 312.457 4.544 30 20 DJED CCC1(CNC(=O)Nc2ccc(C#N)c(Cl)c2)CCCCC1 1622779950 OLAGNOCCDWYWHD-UHFFFAOYSA-N 319.836 4.694 30 20 DJED C[C@H](c1ccccc1F)N(C)c1nc(C(C)(C)C)ccc1C#N 1639302563 XDMVHCYKAHDBBV-CYBMUJFWSA-N 311.404 4.587 30 20 DJED N#Cc1cccnc1N[C@H]1CCc2ccc(-c3ccccc3)cc21 1639816028 KKTREXRJCPEIRW-FQEVSTJZSA-N 311.388 4.720 30 20 DJED CCC[C@H]1CCCN(c2c(C#N)cnc3c(Cl)cccc23)C1 1651622856 PQEHSBOKDFAJKP-ZDUSSCGKSA-N 313.832 4.776 30 20 DJED N#Cc1cc(F)ccc1CN[C@H]1CCCC[C@H]1Cc1ccccc1 1653362245 COPPFDXINHRREN-UWJYYQICSA-N 322.427 4.588 30 20 DJED CC1(C)CCc2ccccc2[C@H](NCc2ccc(F)c(C#N)c2)C1 1653399315 CFFGUUICQMIQSK-HXUWFJFHSA-N 322.427 4.891 30 20 DJED CC[C@H](CN(CC)Cc1cccc(F)c1C#N)c1ccccc1 1657840558 GIYYHVYHRDBZRU-MRXNPFEDSA-N 310.416 4.713 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1ccc(CCC)cc1 1776784189 MQXABBFYYUDNEG-IBGZPJMESA-N 319.489 4.933 30 20 DJED Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)o1 55428434 NIIUVCIQFQBUQP-UHFFFAOYSA-N 318.332 4.504 30 20 DJED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(C)c(C)c1 56529375 OFNICOBQTLYWRK-UHFFFAOYSA-N 324.424 4.532 30 20 DJED COc1ccc(C)cc1C(=O)/C=C/c1ccccc1OC(F)F 57878940 RIGLHTMVNVGLQS-CMDGGOBGSA-N 318.319 4.501 30 20 DJED N#Cc1cccc(C(=O)/C=C/c2cccc(Cl)c2Cl)c1 59270279 REOWRUDVLYXPTA-BQYQJAHWSA-N 302.160 4.761 30 20 DJED CC(C)CCN(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 66955701 ZKEIZQXGIVQVDI-AWEZNQCLSA-N 319.474 4.591 30 20 DJED CSc1ccc(C(=O)/C=C/c2ccc(OC(F)F)cc2)cc1 71792993 JGPCLYFNJJNTOZ-NYYWCZLTSA-N 320.360 4.906 30 20 DJED C[C@@H]1Sc2sccc2C(=O)/C1=C/c1cccnc1Cl 78696225 OQHVOTGRGSPJSC-LBTPYSACSA-N 307.827 4.557 30 20 DJED COc1ccc([C@H](C)N[C@@H](CCC#N)c2ccccc2)c(F)c1 90665879 MPLCLFJLLNLKDG-LIRRHRJNSA-N 312.388 4.530 30 20 DJED Cc1nc(-c2cccc(NCc3cccc(C#N)c3)c2)cs1 157843401 PJUZJDQNGGFYPZ-UHFFFAOYSA-N 305.406 4.602 30 20 DJED C[C@H](NC(=O)C1(C#N)CCCCC1)c1cc2ccccc2s1 171726428 AYBDAIPNRBGESB-ZDUSSCGKSA-N 312.438 4.553 30 20 DJED CC(C)CC1(C(=O)[C@@H](C#N)c2nc3ccccc3o2)CCCC1 176733580 DKLYTCKRWANMAJ-CQSZACIVSA-N 310.397 4.611 30 20 DJED CC[C@H](N[C@H](C)c1cccc(C#N)c1)c1cc(F)ccc1F 178176969 DHIWGJHGUVACRJ-XIKOKIGWSA-N 300.352 4.638 30 20 DJED Cc1ccc([C@H](C)NCc2cccc(OCCCC#N)c2)cc1 237494523 JMPLCCRYILAICC-KRWDZBQOSA-N 308.425 4.528 30 20 DJED Cc1cccc([C@@H](Nc2ccc(F)cc2C#N)c2ccccn2)c1 301903028 WYRVPNDYHJAZQV-HXUWFJFHSA-N 317.367 4.602 30 20 DJED Cc1cccc(C(C)C)c1N/C(O)=N/C[C@@H]1CCO[C@H]1C(C)C 331173314 UXHKBQIHKZFFIM-YJBOKZPZSA-N 318.461 4.505 30 20 DJED N#CCCSc1ccccc1NC(=O)c1sccc1Cl 352718549 GQDFRPOZQZIUIO-UHFFFAOYSA-N 322.842 4.660 30 20 DJED N#CCCCOc1cccc(NC2CC(c3cccc(F)c3)C2)c1 391881269 XKYAZURFVLXNKF-UHFFFAOYSA-N 324.399 4.866 30 20 DJED N#Cc1csc(CS[C@H]2CCc3ccc(Cl)cc32)n1 419467317 XSEMLKWEYGTHLO-ZDUSSCGKSA-N 306.843 4.589 30 20 DJED CC(C)c1ccsc1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425640853 UEDAONYOJWINJV-ZDUSSCGKSA-N 312.438 4.576 30 20 DJED CCSc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 426319767 XYMJAKBTICTHHL-FQEVSTJZSA-N 322.477 4.837 30 20 DJED Cc1c(C#N)cccc1NC(=O)[C@@H](C)c1ccc2ccccc2c1 432316791 ALTMGLSNHXYOPJ-HNNXBMFYSA-N 314.388 4.762 30 20 DJED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1F 432853774 VVFWBQUIEZWGOQ-GOSISDBHSA-N 319.395 4.787 30 20 DJED N#CCCCOc1cccc(CN2CCCC3(CCCC3)C2)c1 438346685 PYHXOTGQTCHMLS-UHFFFAOYSA-N 312.457 4.525 30 20 DJED Cc1ccc2nc([C@H]3CCCN3CCCCC(C)(C)C#N)[nH]c2c1 451010999 BOLILFDIELJUIE-GOSISDBHSA-N 324.472 4.728 30 20 DJED CCCc1cccc(C(C)C)c1NC(=O)N(C)CC(C)(C)C#N 455264751 YTKLQWVZFBVGQD-UHFFFAOYSA-N 315.461 4.776 30 20 DJED C[C@@H]1CCCCN1Cc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1 463304841 WRQPHKXOLQCJCE-IMFGXOCKSA-N 311.473 4.555 30 20 DJED C=CCCC1(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC1 474949831 UBCWKBBNWYNSEH-UHFFFAOYSA-N 312.240 4.698 30 20 DJED N#Cc1ccc(CN2CCC[C@H]2c2ccc(Cl)cc2)c(F)c1 478113897 SWEFWIREERGMCQ-SFHVURJKSA-N 314.791 4.688 30 20 DJED C[C@H](Cc1ccccc1C(F)(F)F)Nc1ccc(CC#N)cc1 482251985 HESXAPVNOGQQKW-CYBMUJFWSA-N 318.342 4.815 30 20 DJED C[C@@H](c1ccccc1)N(C(=O)c1cc(C#N)cs1)C1CCCC1 485466416 LVLHDPXIUNAOOD-AWEZNQCLSA-N 324.449 4.766 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCC[C@@H]1c1ccccc1 487393374 IEGXXMKNGPHUPM-HXUWFJFHSA-N 304.437 4.825 30 20 DJED C=C(C)CN(C)C(=O)NC(c1cccc(C)c1)c1cccc(C)c1 497812523 LPXZFQCCVFMBDF-UHFFFAOYSA-N 322.452 4.610 30 20 DJED N#C[C@H](NC(=O)CCCC1CCCCC1)c1ccccc1Cl 499962400 YZHDYYMITHRMER-KRWDZBQOSA-N 318.848 4.771 30 20 DJED C=C(C)CCc1noc(-c2ccc(-c3ccccc3)nc2C)n1 508629262 ALBXYFQSYNEXBS-UHFFFAOYSA-N 305.381 4.616 30 20 DJED N#Cc1ccc(Oc2cccc(NC(=O)C3CCCCC3)c2)cc1 517842101 WRBYLNXTNJHCIL-UHFFFAOYSA-N 320.392 4.869 30 20 DJED C=CCCCS[C@@H](C)C(=O)N[C@@H](CCC)c1ccccc1 522756707 DEFFMOOXEZJQCG-RDJZCZTQSA-N 305.487 4.732 30 20 DJED C=CCN(Cc1cccs1)C(=O)N[C@H](C)CCC(C)(C)C 522907621 OBEQCGLETDUANR-CQSZACIVSA-N 308.491 4.661 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1cnc2ccsc2c1 524658051 LIUZHUJOIXUKSV-UHFFFAOYSA-N 314.454 4.505 30 20 DJED CSc1ccc(Cl)cc1NCc1cccc(C#N)c1F 542233557 RADHXHMINUEXGF-UHFFFAOYSA-N 306.793 4.685 30 20 DJED Cc1ccc([C@H](N[C@H](C)c2ccc(C#N)c(F)c2)C2CC2)cc1 554137497 PHHPQTPYKSGJKD-VLIAUNLRSA-N 308.400 4.808 30 20 DJED Cc1c(F)ccc(Cl)c1NC(=O)c1cc(C#N)ccc1Cl 558184430 ZRPWHGDUWDODOS-UHFFFAOYSA-N 323.154 4.565 30 20 DJED C[C@H](Nc1cc(C#N)ccn1)c1ccc(-c2cccc(C#N)c2)cc1 561267371 DRBGPMMYEJSHKU-HNNXBMFYSA-N 324.387 4.665 30 20 DJED Cc1cccc(COc2ccc(-c3ccc(C#N)cc3)cc2)n1 584127302 VHGSVYHTTBUSBG-UHFFFAOYSA-N 300.361 4.508 30 20 DJED N#C[C@@H](C(=O)c1cccc(C(F)F)c1)c1ccc2ccccc2n1 591020115 VNBGCDLCSJENTQ-OAHLLOKOSA-N 322.314 4.662 30 20 DJED C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)CCCC(C)(C)C#N 595514794 JUBZPLUUIPXIAP-GFCCVEGCSA-N 318.852 4.539 30 20 DJED N#Cc1ccc(SCc2ncc(-c3ccccc3F)o2)cc1 610217897 MXKILUVXVJKLPU-UHFFFAOYSA-N 310.353 4.645 30 20 DJED COc1cccc2c(S[C@@H](C)c3ccc(C#N)cc3)ccnc12 614802032 NPJYPRYMWGVJRS-ZDUSSCGKSA-N 320.417 4.968 30 20 DJED CC(C)(C)c1ccc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)cc1 647370964 GYOXNXPWOOGDSA-HNNXBMFYSA-N 324.449 4.808 30 20 DJED N#Cc1sc(NCc2cccc(Cl)c2Cl)nc1Cl 693640837 FAUBSYGUNMOQIY-UHFFFAOYSA-N 318.616 4.587 30 20 DJED N#Cc1ccccc1COc1cc(Cl)ccc1Br 708128383 ZWJCMBGFRRTAEW-UHFFFAOYSA-N 322.589 4.553 30 20 DJED N#Cc1ccccc1/C=C\C(=O)N1CCC[C@H]1CC1CCCCC1 747192052 VUIDOWRMVJVNEZ-CBUFDYBVSA-N 322.452 4.533 30 20 DJED CCCCCCCCNC(=O)Nc1ccc(NC(=O)CC)cc1 754909651 JUKACIUCSWAUKK-UHFFFAOYSA-N 319.449 4.517 30 20 DJED CC(C)[C@H]1/C(=C\c2cccc(OCC#N)c2)C(=O)c2ccccc21 766507118 QYVGBVTTYIUHJA-UMSHPIDHSA-N 317.388 4.608 30 20 DJED Clc1cscc1C=NNc1ccc(Br)cc1 771877605 VIBGFTZZAQEZKB-UHFFFAOYSA-N 315.623 4.610 30 20 DJED C#CCOc1ccccc1NC(=S)Nc1cccc(C(C)C)c1 774265725 LKBDQZZTHGKGLT-UHFFFAOYSA-N 324.449 4.631 30 20 DJED CCCOc1cccc(/C=C\C(=O)c2cccc(F)c2F)c1 776268445 OLJUCTNXHXZFSI-KTKRTIGZSA-N 302.320 4.650 30 20 DJED Cc1ccncc1CCC=NNc1cc(Cl)ccc1Cl 776726497 PHHZFJKWBUSXQA-UHFFFAOYSA-N 308.212 4.727 30 20 DJED C[C@H](C#N)Oc1ccccc1NCc1ccc(C(C)(C)C)cc1 779741442 CCVOMNUXXZJYGF-OAHLLOKOSA-N 308.425 4.887 30 20 DJED CC(C)Oc1ccc(C(=O)/C=C\c2ccc3cnccc3c2)cc1 782305708 IYDOPOFLXCEGET-WMZJFQQLSA-N 317.388 4.918 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2Cl)s1 783702167 SAHCEKDLPKIMQS-XQRVVYSFSA-N 307.758 4.514 30 20 DJED CC(=NNc1ccc(OC(F)F)cc1)C1CCC(F)(F)CC1 788714685 GJCGIYZNJHLCFE-UHFFFAOYSA-N 318.314 4.901 30 20 DJED CC(C)(C)c1cnc(/C=C2\CCc3sccc3C2=O)s1 790600692 LMBFEXMXSILKRS-CSKARUKUSA-N 303.452 4.715 30 20 DJED CC(CSC(C)(C)C)=NNc1ncnc(Cl)c1C(C)C 797403964 DABNEJISPCHFFB-UHFFFAOYSA-N 314.886 4.573 30 20 DJED C/C(C=NO[C@H]1CCCCO1)=C\c1ccccc1C(F)(F)F 799885603 ZVSLGSXFNTVACY-HSYJADIPSA-N 313.319 4.638 30 20 DJED COc1ccc(C(=O)/C=C\c2csc3ccccc23)cc1F 810232846 CJBXUTGJXAEBSU-VURMDHGXSA-N 312.365 4.945 30 20 DJED C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCCCC23CCCC3)cc1 812781074 ZNALHCLEMCEBRO-QFBILLFUSA-N 312.457 4.570 30 20 DJED C=CCC(C)(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 814305654 MAHIHZFCOUVAMV-LJQANCHMSA-N 318.420 4.883 30 20 DJED COc1cc(Cl)ccc1C(=O)/C=C/c1scnc1C1CC1 817346359 NSZJJSRFPOFUMS-VOTSOKGWSA-N 319.813 4.579 30 20 DJED CC[C@@H](CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1)c1ccccc1 842942959 RQZMELHQCHWGEA-XJKSGUPXSA-N 324.449 4.781 30 20 DJED C=CCCCC[C@@H](C)N[C@@H](C(=O)O)c1cccc2ccccc12 902566402 VAYKFRZPPCPOGK-DNVCBOLYSA-N 311.425 4.690 30 20 DJED O=C(/C=C/c1ccc2c(c1)CCO2)c1cccc2ccccc12 917517717 XMJKUQVUYPOOBM-CSKARUKUSA-N 300.357 4.671 30 20 DJED CC(C)c1ccc([C@H](C)NN=Cc2ccc(F)cc2F)cc1 917553007 WLWBJNKCNCUUCJ-ZDUSSCGKSA-N 302.368 4.773 30 20 DJED CC(C)Oc1cccc(/C=C2/CSc3ccccc3C2=O)c1 921262150 QXGRITQVKRLYGN-GDNBJRDFSA-N 310.418 4.846 30 20 DJED Cc1ccc(CN(Cc2ccc(F)c(C#N)c2)C(C)(C)C)cc1 1174790462 SPURSCCPCRXQGF-UHFFFAOYSA-N 310.416 4.807 30 20 DJED C[C@@H](CN1CCC(c2ccc(C#N)cc2)CC1)c1ccccc1 1207912608 WTBGOTAVVNNBCC-KRWDZBQOSA-N 304.437 4.541 30 20 DJED CCC[C@H]1CCCC[C@H]1Nc1nc(C(F)(F)F)ccc1C#N 1458163004 HDLROJJINRDTFA-WCQYABFASA-N 311.351 4.743 30 20 DJED COc1ccccc1CN(CCC1(C#N)CCCCC1)C1CC1 1459315436 VVVIBGRRMRQJGF-UHFFFAOYSA-N 312.457 4.524 30 20 DJED CC(C)(C)C1CCC(Cn2cc(C#N)c3ccccc3c2=O)CC1 1473062022 NPHRVHBXHCPBJG-UHFFFAOYSA-N 322.452 4.726 30 20 DJED C=C(Br)CN[C@H](CC1CCCC1)c1ccccc1 1473333038 QNEYVWJGAPTTQT-MRXNPFEDSA-N 308.263 4.806 30 20 DJED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(-c3cccs3)s2)C1 1584702441 BGLSKTZTQVABAU-VXGBXAGGSA-N 317.435 4.716 30 20 DJED N#CCC[C@@H](NC1CCc2ccccc2CC1)c1ccccc1 1650808272 ZKNWCVGPOAZNDL-OAQYLSRUSA-N 304.437 4.569 30 20 DJED CCC[C@H](CCc1ccccc1)Nc1c(C#N)cccc1C#N 1651559163 NMPQCITWDSEXMG-LJQANCHMSA-N 303.409 4.643 30 20 DJED CC[C@@H](NC1CC(C#N)(c2ccccc2)C1)c1cc(C)ccc1C 1659841972 YIJURYYBTRXADS-NJEKYYFSSA-N 318.464 4.968 30 20 DJED O=C(O)c1cccc(NN=C2CCCCC[C@@H]2c2ccccc2)c1 1776037994 MWTPOZDLWBYJOA-GOSISDBHSA-N 322.408 4.901 30 20 DJED C=CCC1(CNc2nc3ccccc3c(C)c2C(=O)O)CCCC1 1776165027 IKSCLDXONZYURQ-UHFFFAOYSA-N 324.424 4.790 30 20 DJED N#Cc1cccc(CN[C@H]2CCSc3ccc(Cl)cc32)c1 35054085 BJZHSPYMBZPHKA-INIZCTEOSA-N 314.841 4.538 30 20 DJED CC(C)Oc1ccccc1CNc1cccc(OCCCC#N)c1 79724400 DQRJAFBZQBPJRT-UHFFFAOYSA-N 324.424 4.768 30 20 DJED CC(C)Oc1cccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 192759171 KCVRFLXHCXNEOE-HOTGVXAUSA-N 308.425 4.757 30 20 DJED C[C@H](CCc1ccc(O)cc1)Nc1cccc(OCCCC#N)c1 237494015 RIXPQRFBPBIRHD-MRXNPFEDSA-N 324.424 4.508 30 20 DJED N#Cc1ccc(N2CCC(OC3CCCCC3)CC2)cc1Cl 301276030 WPTWPSKMXQERLE-UHFFFAOYSA-N 318.848 4.530 30 20 DJED C[C@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)c2ccccc21 354694656 YOJZNKIONLPMRL-WMZOPIPTSA-N 318.420 4.614 30 20 DJED Cc1ccc(F)c(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1 410930052 PHYDVHNDIJFDQR-UHFFFAOYSA-N 316.401 4.617 30 20 DJED CC[C@H](N[C@H](CC(F)F)c1ccccc1)c1ccc(C#N)cc1 421879661 PJLSVPADDFJOBB-ZWKOTPCHSA-N 314.379 4.995 30 20 DJED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(OCc2ccccc2)c1 424324395 JVGYMRGIMAMKFJ-XKGZKEIXSA-N 320.436 4.608 30 20 DJED C=CCN(Cc1cccs1)C(=O)CC[C@H](C)c1ccccc1 441291731 RTOWPRQWRLNMOX-INIZCTEOSA-N 313.466 4.847 30 20 DJED Cc1ccc2sc(C(=O)Nc3ccc(CC#N)cc3)c(C)c2c1 445248818 LWAWHISNFBVBSZ-UHFFFAOYSA-N 320.417 4.837 30 20 DJED CO[C@H](CNc1cc(Cl)ccc1C#N)c1ccc(Cl)cc1 462895697 RZWJQDJLWKURJS-MRXNPFEDSA-N 321.207 4.665 30 20 DJED Cc1cccnc1[C@@H]1CCC[C@H](N[C@H](C)c2ccc(C#N)cc2)C1 467376100 IMTHBTBDXAVZHP-AHRSYUTCSA-N 319.452 4.639 30 20 DJED N#C[C@@H]1CC[C@@H](N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 471583832 BWMOQNIWKODGMY-NIKGAXFTSA-N 310.828 4.711 30 20 DJED N#CC[C@H](CC(=O)Nc1ccc(C2CCC2)cc1)c1ccccc1 477098264 HCQULZNYZJPEGM-LJQANCHMSA-N 318.420 4.980 30 20 DJED C=C(C)[C@H](NCc1ccc(F)cc1F)c1ccc(F)c(F)c1 479422890 PGASOXIXQXMVFQ-KRWDZBQOSA-N 309.306 4.650 30 20 DJED N#C[C@H](NC(=O)c1ccc(C2CCC2)cc1)c1ccc(Cl)cc1 480186312 XIXRAGHIQSZJJG-SFHVURJKSA-N 324.811 4.602 30 20 DJED C=CCC1(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)CCC1 480428487 QMRVFSOVWWXMCW-UHFFFAOYSA-N 317.860 4.792 30 20 DJED C=C[C@@H]1CCCCN1C(=O)c1sc2cccc(F)c2c1C 488859137 PMWNDLYRTZNNAM-GFCCVEGCSA-N 303.402 4.530 30 20 DJED C[C@H](C(=O)N[C@@H](C#N)C1CCCCC1)c1ccc2ccccc2c1 506538513 NKSJJQVQNLNKPE-YWZLYKJASA-N 320.436 4.532 30 20 DJED C[C@@H]1C[C@@H]1c1ccc(CN(Cc2ccc(C#N)s2)C2CC2)o1 506553863 DJONHBLFFOIHSH-PXAZEXFGSA-N 312.438 4.501 30 20 DJED N#CCCCOc1cccc(-c2nc3cc(F)ccc3s2)c1 524217785 LPWRTNOZXDVHKM-UHFFFAOYSA-N 312.369 4.785 30 20 DJED Cc1cnc([C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)o1 538878680 IOSIYKGDYJDVGW-AWEZNQCLSA-N 319.364 4.820 30 20 DJED C=CCc1ccccc1OCc1ncc(-c2ccc(F)cc2)o1 589694436 WQZPGNGZMKFJDT-UHFFFAOYSA-N 309.340 4.788 30 20 DJED C=CC1CCN(C(=O)[C@@H](C)c2c(Cl)cccc2Cl)CC1 599677034 JSYFOXDXBKIGDJ-NSHDSACASA-N 312.240 4.522 30 20 DJED C=C(C)CN(CC)C(=O)c1ccccc1SCC=C(C)C 607293600 RHFXPTSNYHECLB-UHFFFAOYSA-N 303.471 4.783 30 20 DJED CCCC[C@@H](CC)COCc1cccc(NC(=O)[C@@H](C)C#N)c1 609921193 XFUKICSSMCCVCN-JKSUJKDBSA-N 316.445 4.518 30 20 DJED C[C@]1(C#N)CCCN(c2nc(-c3ccccc3Cl)cs2)C1 612108301 MMJWWRYQVLZOTN-MRXNPFEDSA-N 317.845 4.594 30 20 DJED CC[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccccc1F 619754607 FVCVCZWEVMTDDS-QGZVFWFLSA-N 302.780 4.592 30 20 DJED Cc1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)c(C)c1 726433815 UDXCABUSUQTFBU-UHFFFAOYSA-N 315.829 4.637 30 20 DJED Cc1cccc(-c2n[nH]cc2/C=C/C(=O)c2ccc(F)c(F)c2)c1 728785910 PLTBQAVJZLNRMK-SOFGYWHQSA-N 324.330 4.559 30 20 DJED COc1cc(C#N)ccc1OCCS[C@H](C)c1cccs1 740767372 AXLVTHPBKIKCOE-GFCCVEGCSA-N 319.451 4.502 30 20 DJED Cc1noc(C)c1/C=C\C(=O)c1ccc(OC(C)C)c(Cl)c1 789157941 RTWMZVLJASJDRI-SREVYHEPSA-N 319.788 4.628 30 20 DJED N#CCC1(CN[C@H]2CCCc3cc(SC(F)F)ccc32)CC1 797587106 PRCUMXIKMMUAQD-HNNXBMFYSA-N 322.424 4.662 30 20 DJED N#Cc1sc(S[C@H]2CCCc3ccccc32)nc1Cl 804543909 CPZWPJPKUPKDIS-NSHDSACASA-N 306.843 4.838 30 20 DJED N#Cc1ccc2c(c1)C(=O)/C(=C/c1csc3ccccc13)C2 811695349 DNYREOVMGLVLID-NTEUORMPSA-N 301.370 4.595 30 20 DJED CC(=NNc1cc(C(F)(F)F)ccn1)c1cc(C)sc1C 834984077 NFBAXRGKURQKPZ-UHFFFAOYSA-N 313.348 4.615 30 20 DJED CC1=C(C)C[C@@H](C(=O)[C@H](C#N)c2ccc3ccccc3n2)CC1 842682280 TZKVXGCJGRFKFQ-DLBZAZTESA-N 304.393 4.548 30 20 DJED Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1ccncc1Cl 863183163 NROVGOIPFJQCAL-AATRIKPKSA-N 320.845 4.694 30 20 DJED Cc1ccsc1C/N=C\c1cc(Cl)cc(Cl)c1O 914557465 GDSXYAQTOOJYBC-SOFYXZRVSA-N 300.210 4.688 30 20 DJED CCc1ccccc1NN=Cc1sc2nc(C)nc(C)c2c1C 915051628 KKWUCHHDSDZBKB-UHFFFAOYSA-N 324.453 4.625 30 20 DJED O=C(/C=C\c1cccc(F)c1)c1sccc1Br 915113744 UHFPWCUCGMLSRW-PLNGDYQASA-N 311.175 4.546 30 20 DJED C=C(C)CN(CC)C(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C 915261136 SGTXNZOXXVXHOC-KRWDZBQOSA-N 324.468 4.752 30 20 DJED COCCOc1cccc(/C=C\C(=O)c2cc(C)c(C)cc2C)c1 917142789 PQKVIRNTLBPVQG-HJWRWDBZSA-N 324.420 4.533 30 20 DJED CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCC[C@@H]2c2ccccc2)n1 1187306374 SGAOAWYCPSSXPR-QZTJIDSGSA-N 319.452 4.999 30 20 DJED CCC(CC)(CC)SCC(=O)Nc1ccc(C#N)c(Cl)c1 1189120331 SZRRMCRQSGKCPG-UHFFFAOYSA-N 324.877 4.852 30 20 DJED Cc1ccc(N(C)CCCC(C)(C)C#N)c(Br)c1 1194666720 UXKUHQHUORGHCH-UHFFFAOYSA-N 309.251 4.524 30 20 DJED Cc1cc(CNCC2(c3ccc(Cl)cc3)CCC2)ccc1C#N 1200001398 LTTKCFBWQSYFQU-UHFFFAOYSA-N 324.855 4.732 30 20 DJED CC1(C)CC(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 1356262138 OVSIKZUNUGXKDK-UHFFFAOYSA-N 320.392 4.725 30 20 DJED Cc1ccccc1[C@H]1C[C@@H](C)N(Cc2ccc(Cl)cc2C#N)C1 1459532752 VORXOSVBDNXLQT-QAPCUYQASA-N 324.855 4.898 30 20 DJED N#CC1(CC(=O)NC2(Cc3ccccc3)CCCC2)CCCCC1 1528434982 YPDOHXPGPGWJGC-UHFFFAOYSA-N 324.468 4.522 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)c1cc(Cl)ccc1F 1535785306 OGSWQUQRXYGEKT-UHFFFAOYSA-N 324.742 4.756 30 20 DJED N#Cc1cccc(C(=O)OCc2ccc(C3CCCCC3)cc2)c1 1544546201 PGVQSHQGXRCNBH-UHFFFAOYSA-N 319.404 4.963 30 20 DJED C[C@H](CCC#N)CN1CCc2cc(Cl)c(Cl)cc2[C@H]1C 1560815101 QMQNAPZBQRDABW-VXGBXAGGSA-N 311.256 4.852 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)C3(F)CCCC3)c2C#N)[C@@H](C)C1 1588271198 QBJRNDGDBRANOV-QWRGUYRKSA-N 320.433 4.526 30 20 DJED CC(C)(C)c1ccc([C@@H](NCC2(CC#N)CC2)C(F)(F)F)cc1 1616006841 HWPVJRHLJOVHRN-OAHLLOKOSA-N 324.390 4.871 30 20 DJED C[C@]1(C#N)CCCN(Cc2ccc(Sc3ccccc3)cc2)C1 1621196802 OFIMEXIJRCXGMM-HXUWFJFHSA-N 322.477 4.963 30 20 DJED N#Cc1cc(Oc2cnc3c(Cl)c(Cl)ccc3c2)ccn1 1652007127 IKMLVZNRUOHGTB-UHFFFAOYSA-N 316.147 4.601 30 20 DJED CC[C@@H]1CCCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 1652646567 SAPOVURZUVWUBY-QGZVFWFLSA-N 304.437 4.847 30 20 DJED Cc1cc(C)c(/C=C\CN[C@@H]2CCc3cc(C#N)ccc32)c(C)c1 1657294540 FDAVOWKBAOESFO-QATSOJGNSA-N 316.448 4.774 30 20 DJED CC[C@H](c1ccccc1)N(CC)C(=O)Nc1cc(C)cc(C#N)c1 1678408854 WZKOKDQHFQFVHQ-LJQANCHMSA-N 321.424 4.872 30 20 DJED CCc1ccc(C(CC(C)C)=NNc2ccc(C(=O)O)cc2)cc1 1776012358 QIDLXTAYGUISNZ-UHFFFAOYSA-N 324.424 4.810 30 20 DJED Cc1sc2ncnc(NN=C3CCCCCCC3)c2c1C 6685245 QTCLEMVHYIIRLY-UHFFFAOYSA-N 302.447 4.820 30 20 DJED N#Cc1cccc(CNc2ccc(SC(F)(F)F)cc2)c1 35041271 QKORDPVYXJWKTL-UHFFFAOYSA-N 308.328 4.782 30 20 DJED N#Cc1ccc(Cl)cc1NCc1ccccc1Br 36954382 PFOAYFITTUXSAJ-UHFFFAOYSA-N 321.605 4.586 30 20 DJED C=C(Cl)CSc1nnc(-c2cccc(C)c2)n1CCC 47823369 AMYCRCQQXBCBMJ-UHFFFAOYSA-N 307.850 4.508 30 20 DJED C=CCN(CCc1ccccc1)Cc1coc(-c2ccccc2)n1 62364341 QLZGBYQBDCZVKX-UHFFFAOYSA-N 318.420 4.572 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc3cc(OC)ccc3c2)cc1 97475328 VXCJILWYHJPNRV-XGICHPGQSA-N 318.372 4.753 30 20 DJED C=CC1CCN(C(=O)Nc2ccccc2Cc2ccccc2)CC1 111706757 GUHCWCAQKKGZFL-UHFFFAOYSA-N 320.436 4.707 30 20 DJED N#Cc1ccc(Br)cc1OCc1cccc(Cl)c1 123503423 CDCKWZCDDPLHJG-UHFFFAOYSA-N 322.589 4.553 30 20 DJED CC(C)CCN(CCC#N)C(=O)Nc1ccc2ccccc2c1 176768669 NGTBSKKUHOJRIJ-UHFFFAOYSA-N 309.413 4.633 30 20 DJED C[C@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1cccc(C#N)c1 181685525 PFRBYUNKOCAQMW-XOBRGWDASA-N 308.400 4.889 30 20 DJED CC#CCCCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 184428482 XTPYEGYAQPBMFW-MRXNPFEDSA-N 324.251 4.851 30 20 DJED N#Cc1ccc(F)c(C/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)c1 329052407 ABAMWWGOZAJUPP-USXIJHARSA-N 314.404 4.760 30 20 DJED Cc1nnsc1C/N=C(/O)C1(C2CCCCC2)CCCCC1 329225198 CYLZOAMBJNDOJZ-UHFFFAOYSA-N 321.490 4.834 30 20 DJED N#CCCC[C@@H](NC(=O)[C@@H]1CC12CCCCC2)c1ccccc1 352192074 IVRYKLOXLIZXFH-ZWKOTPCHSA-N 310.441 4.508 30 20 DJED Cc1cc(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)co1 353559340 JSXBPGVAMJNFHS-UHFFFAOYSA-N 318.332 4.504 30 20 DJED C[C@H](NCC1(CC#N)CC1)c1ccc(-c2ccc(F)cc2)s1 430744517 NYMDJTOJYRQUBB-ZDUSSCGKSA-N 314.429 4.899 30 20 DJED CC(C)(C)OC1CC(CCNc2cc(Cl)ccc2C#N)C1 432852123 MDNZHRYEZGCLTP-UHFFFAOYSA-N 306.837 4.607 30 20 DJED COc1ccc(OCCSCCCCC(C)(C)C#N)cc1 435880826 LQHIGZNDEUBFRN-UHFFFAOYSA-N 307.459 4.527 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 438503607 YRYISIMXUWMZLK-CYBMUJFWSA-N 313.401 4.551 30 20 DJED C=C1CCN([C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)CC1 443620443 SUPSBGHNIGSHCO-CYBMUJFWSA-N 302.805 4.708 30 20 DJED CC1(C)CCC(C(=O)Nc2ccc(CC#N)cc2Cl)CC1 452645847 PGXUDWVAFRNZLE-UHFFFAOYSA-N 304.821 4.561 30 20 DJED C=CCOc1ccc(CN(C(=O)CCCC)C(C)(C)C)cc1 467871187 JWHTVLXUVNAAQE-UHFFFAOYSA-N 303.446 4.569 30 20 DJED C=CC[C@@H]1N(C(=O)[C@H]2C[C@H]2c2sccc2C)CCCC1(C)C 470279614 LJWCVLQGPBFZPH-PMPSAXMXSA-N 317.498 4.753 30 20 DJED CCC[C@H](C)[C@@H]1CCCN1C(=O)C[C@H](CC#N)c1ccccc1 476376991 SBNLKCWGIXCDCB-WDSOQIARSA-N 312.457 4.501 30 20 DJED C[C@@H](Sc1ccc(C#N)cc1F)c1ncc(C(C)(C)C)o1 476512046 FRAQDFRKFUBYTB-SNVBAGLBSA-N 304.390 4.836 30 20 DJED N#Cc1ccc(F)c(CNc2ccc3ccc(Cl)cc3n2)c1 480121135 QTDGYJAUBYTLAD-UHFFFAOYSA-N 311.747 4.511 30 20 DJED C=C[C@H]1CCCCN1Cc1coc(-c2cccc(Cl)c2)n1 489402286 LVVJYWAFCSJPFY-INIZCTEOSA-N 302.805 4.536 30 20 DJED C=CCN(CCc1ccccc1)C(=O)c1cc2cccc(C)c2o1 499310326 NVTGECFIVINVGN-UHFFFAOYSA-N 319.404 4.612 30 20 DJED CSc1ccccc1CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 511116056 PQHWNUSFUVRNSJ-OALUTQOASA-N 322.477 4.680 30 20 DJED COc1ccc(CS[C@H](C)c2ccc(C#N)cc2)cc1F 511924236 UNEVZXGJYBCFFX-GFCCVEGCSA-N 301.386 4.700 30 20 DJED C=C(C)CN(CC)C(=O)[C@@H](C)S[C@H](C)CCc1ccccc1 515783006 QCUBTNUQXOEIHK-IAGOWNOFSA-N 319.514 4.554 30 20 DJED CCCCN(CCCC1(C#N)CCOCC1)[C@H]1CCC[C@@H](C)C1 520201004 OASQSTZGPCAYDL-MOPGFXCFSA-N 320.521 4.768 30 20 DJED C=C[C@H](CC(=O)N[C@@H](C)c1cc(C)sc1C)c1ccccc1 534632138 OAGSKNOMJOOTJE-GOEBONIOSA-N 313.466 4.902 30 20 DJED N#CCc1ccc(C(=O)N2CCCCC[C@@H]2c2ccccc2)cc1 534642255 ABHKGTGAUJDMDI-HXUWFJFHSA-N 318.420 4.510 30 20 DJED C=CC[C@H](CC)NC(=O)N[C@@H](CC)c1ccc(Cl)s1 541091522 VGHUPKJEFDEWLF-QWRGUYRKSA-N 300.855 4.507 30 20 DJED C=CC[C@H](C)NC(=O)c1ccc(C)cc1Sc1ccccc1 543291618 QAAFMLOKEWERAA-HNNXBMFYSA-N 311.450 4.841 30 20 DJED C=C(C)COc1cccc(NC(=O)N2C[C@@H](C)c3ccccc32)c1 551115909 VXHLYWYSQAPABP-OAHLLOKOSA-N 322.408 4.797 30 20 DJED C[C@H](Nc1ccc(F)cc1OCC1CC1)c1ccc(C#N)cc1 558086436 ZCPZRXIZKOQKNC-ZDUSSCGKSA-N 310.372 4.659 30 20 DJED C[C@H](NCc1ccccc1C#N)c1ccc(F)c2ccccc12 572074270 MSHPIQZGSIFYCS-AWEZNQCLSA-N 304.368 4.701 30 20 DJED CCSc1ccccc1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 576938092 ODRQOCMBMVRLMS-AWEZNQCLSA-N 324.449 4.503 30 20 DJED CC[C@@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1cccc(Cl)c1 579418986 XALOEZHARZJLJQ-OAHLLOKOSA-N 315.760 4.683 30 20 DJED N#CCCCCCC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 588278107 GLWBFJFEYUJIOL-HXUWFJFHSA-N 324.399 4.505 30 20 DJED CC[C@@H](CC(=O)N(Cc1ccc(C#N)cc1)CC(C)C)C(C)C 609168334 DIOYMPKIWHUYAI-IBGZPJMESA-N 314.473 4.615 30 20 DJED C[C@H](N[C@H](C)c1ccc(Cl)c(F)c1)c1cccc(C#N)c1 611248663 WURGNKBSMJQJOR-NWDGAFQWSA-N 302.780 4.763 30 20 DJED Cc1cc(C(=O)/C=C\c2ccc(N3CCCCC3)cc2)ccc1O 728231945 OJYMFQUOVFSJRZ-XFFZJAGNSA-N 321.420 4.587 30 20 DJED CCCCCCCC(=O)Oc1cccc(NC(=O)C(C)C)c1 733174880 YVAKWPCWKQUMAT-UHFFFAOYSA-N 305.418 4.547 30 20 DJED CCCCCCCCCCC(=O)N1CCC(c2cn[nH]c2)CC1 736195146 BURZBYXOUDAHDT-UHFFFAOYSA-N 319.493 4.647 30 20 DJED CC(C)CO[C@H]1CC(=NNc2nccc3sccc23)C1(C)C 737430013 IIMSFFDKRTXOEA-HNNXBMFYSA-N 317.458 4.535 30 20 DJED CC[C@H](C#N)OC(=O)c1sc2cccc(Cl)c2c1Cl 753428478 NURLHFREHHVMME-SSDOTTSWSA-N 314.193 4.667 30 20 DJED COc1ccc(O)c(C=Nc2cccc(CCC(F)(F)F)c2)c1 753564353 SZBQIBHYPHKGEA-UHFFFAOYSA-N 323.314 4.646 30 20 DJED C=C[C@H](CC(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccccc1 759419525 LJRVKQBUHPVFFX-NVXWUHKLSA-N 305.377 4.522 30 20 DJED O=C(/C=C/c1ccc(F)c(Cl)c1Cl)c1cncc(F)c1 761478328 DNOKNYKFFNPCRZ-DUXPYHPUSA-N 314.118 4.563 30 20 DJED CC(C)c1ncc(/C=C2/Cc3ccc(Cl)cc3C2=O)s1 762447219 NKBHOMZFTHJHPX-WDZFZDKYSA-N 303.814 4.742 30 20 DJED O=C(/C=C\c1cccc(OCc2ccccc2)c1)c1cncs1 776433786 JYQLSAUOAMABLZ-KTKRTIGZSA-N 321.401 4.618 30 20 DJED C#CCCCCCC(=O)NC1CCC(c2ccc(F)cc2)CC1 781910153 LUJXIGOTTUPBKI-UHFFFAOYSA-N 315.432 4.552 30 20 DJED Cc1ccc(SCCC(=O)OCCCC(C)(C)C#N)cc1C 782493167 YFDFURPRALNAKQ-UHFFFAOYSA-N 319.470 4.659 30 20 DJED CCC[C@H](N[C@@H](CC)c1ccc(C#N)cc1)[C@@H](O)c1ccccc1 794830186 HWRCPYJWTZDJKC-ACRUOGEOSA-N 322.452 4.501 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=S)Nc1ccc(C)cc1 794996487 DXEUZPSXWOWMRL-UHFFFAOYSA-N 310.466 4.770 30 20 DJED CC(C)C[C@H](C)CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797572387 ZCZDRYNNGUWSIG-STQMWFEESA-N 306.475 4.689 30 20 DJED Cc1cc(Cl)cc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)c1O 808700298 KLGAXUKSFUAYSN-CHWSQXEVSA-N 314.816 4.638 30 20 DJED COc1cc(C(C)=NOC/C=C\Cl)ccc1SC(F)F 811671886 METXZRIIUVVRAW-AYKPBZQESA-N 321.776 4.503 30 20 DJED CN(C)Cc1cccc(C(=O)/C=C/c2csc3ccccc23)c1 821018133 WQDSFBRBXMVULZ-ZHACJKMWSA-N 321.445 4.859 30 20 DJED COc1ccccc1CON=Cc1ccc(Cl)c(Cl)c1 836293816 YGFWEXVZYBXTPM-UHFFFAOYSA-N 310.180 4.553 30 20 DJED C[C@@H](CCC(C)(C)C)C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842941362 AGJBIFDJIOFHCA-AAEUAGOBSA-N 304.459 4.659 30 20 DJED C#Cc1cccc(N(C)C(=O)Nc2c(C)cccc2C(C)C)c1 847101928 SAUGLDMFVIEGFS-UHFFFAOYSA-N 306.409 4.768 30 20 DJED C=CCCCC[C@H](C)N[C@@H](C(=O)O)c1cccc2ccccc12 902566403 VAYKFRZPPCPOGK-HNAYVOBHSA-N 311.425 4.690 30 20 DJED CC[C@H](NCc1ccc2[nH]c(C)cc2c1)c1cccc(C#N)c1 902987382 HHIAIAXASMHXNL-IBGZPJMESA-N 303.409 4.589 30 20 DJED CCc1c(C(=O)/C=C\c2c(C)noc2C)oc2ccc(C)cc12 916132363 ZWALECOVENQDTP-FPLPWBNLSA-N 309.365 4.805 30 20 DJED C[C@@H](Nc1snc(Cl)c1C#N)c1ccc2c(c1)CCCC2 917011731 RVOUUAPFMWBEBA-SNVBAGLBSA-N 317.845 4.720 30 20 DJED Cc1c(C#N)cccc1NC(=O)c1ccc(C)c2ccccc12 1126997458 PUFONOSEQHQHLO-UHFFFAOYSA-N 300.361 4.581 30 20 DJED CCc1ccccc1CN1CCC(c2ccc(C#N)cc2)CC1 1141230162 ZBOSMNWMRBLRIT-UHFFFAOYSA-N 304.437 4.500 30 20 DJED CC(C)(C)c1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1Cl 1275463307 ITUXAYBSZOMZTH-GXTWGEPZSA-N 319.832 4.877 30 20 DJED N#Cc1cccc(CN2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)c1 1307698828 QKTDPFIEYGAVMR-YPAWHYETSA-N 316.448 4.716 30 20 DJED CC(C)(C)[C@H](C#N)OC(=O)c1ccc(-c2cccs2)s1 1342660269 UJNZMAYNTPIFGS-ZDUSSCGKSA-N 305.424 4.572 30 20 DJED C[C@@H]1CC[C@@H](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 1349234179 IJCAYIKKPXFYKZ-CHWSQXEVSA-N 316.470 4.653 30 20 DJED CCC[C@@H](CC)C(=O)Nc1sc2c(c1C#N)CCCCC2 1349781414 HJHVKEMCYXVOQU-GFCCVEGCSA-N 304.459 4.653 30 20 DJED Cc1oc2ccc(NC(=O)CC3(C#N)CCCCC3)cc2c1C 1435959839 RETNUPGYQGMAOT-UHFFFAOYSA-N 310.397 4.852 30 20 DJED CCC[C@@H](CC1CCCCC1)C(=O)Nc1cc(C)c(C#N)cn1 1437190818 UPHIOFRJQACKJU-INIZCTEOSA-N 313.445 4.587 30 20 DJED CC(C)N(CCC1(C#N)CCCCC1)Cc1ccc(F)cc1 1459366910 GMUJSULVLNKJMC-UHFFFAOYSA-N 302.437 4.900 30 20 DJED C[C@H](CC(=O)Nc1cc(C#N)c2ccccc2n1)C1CCCCC1 1459910844 DJQOAZBZUVNOCD-CQSZACIVSA-N 321.424 4.651 30 20 DJED C[C@H](CC(=O)Nc1scc(C(C)(C)C)c1C#N)c1ccco1 1460578868 FMMMEQDHSLOCRA-LLVKDONJSA-N 316.426 4.643 30 20 DJED Cc1c(Cl)cccc1C(=O)N(c1ccc(C#N)cc1)C1CCC1 1461770809 WFQZHNWFXWSZTQ-UHFFFAOYSA-N 324.811 4.719 30 20 DJED C[C@@H]1CC[C@@H](CC(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1524040875 VMYVJZALBGPWJQ-VXGBXAGGSA-N 304.459 4.682 30 20 DJED CCc1ccc(N(CC(C)C)C(=O)c2cccc(C#N)c2C)cc1 1543853252 XKVOLQNPCUBXPF-UHFFFAOYSA-N 320.436 4.732 30 20 DJED CC(C)(C)c1csc(NC(=O)[C@H]2CC[C@H](C)CC2)c1C#N 1595897804 QOUQEIWGFICJML-HAQNSBGRSA-N 304.459 4.682 30 20 DJED Cc1c(CN2CCC[C@H](CC#N)C2)sc2c(Cl)cccc12 1621435679 HKOQXJVYZINRCN-CYBMUJFWSA-N 318.873 4.989 30 20 DJED C[C@]1(C#N)CCCN(Cc2ccc(Oc3ccccc3)c(F)c2)C1 1645006059 ZFSKOUVWCJZVLT-HXUWFJFHSA-N 324.399 4.744 30 20 DJED Cc1cc(C)cc(C[C@@H](C)Nc2nc(C(C)(C)C)ccc2C#N)c1 1651573072 ZXGRRSLLNVDGSX-MRXNPFEDSA-N 321.468 4.911 30 20 DJED N#CC1(CCN[C@H]2CCC[C@@H]2Cc2ccccc2)CCCCC1 1658292405 MQQOHOHPIOANHM-UXHICEINSA-N 310.485 4.852 30 20 DJED C[C@@H]1C/C(=C/c2ccc(/C=C\C(=O)O)cc2)C(=O)c2sccc21 1776589526 IUCJIRYNWHUQRY-GOKQZXJBSA-N 324.401 4.619 30 20 DJED Cc1ccc(C)c(NC(=O)Nc2cccc(OCCCC#N)c2)c1 113519204 ASXKTUUTDOHMRR-UHFFFAOYSA-N 323.396 4.630 30 20 DJED CC(C)C[C@H](Nc1cccc(OCCCC#N)c1)c1ccccn1 179818667 DANCAVFXSOLYQT-FQEVSTJZSA-N 323.440 4.963 30 20 DJED CC(/C=C\C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C\c1ccccc1 207627215 ZFUWCRVGFJEHSG-RIUSXJRMSA-N 307.349 4.746 30 20 DJED C=CCC[C@@H](N[C@H]1CCOc2c(F)cccc21)c1ccco1 287421677 KCUFVAGSSGZJCB-JKSUJKDBSA-N 301.361 4.539 30 20 DJED Cc1ccc(C)c(Oc2cc(Br)c(C#N)cc2F)c1 311398554 GHCADGYCERLIMO-UHFFFAOYSA-N 320.161 4.869 30 20 DJED N#Cc1cnc2ccccc2c1NCc1ccc(F)c(Cl)c1 315906539 MORYMJBZJSFWDD-UHFFFAOYSA-N 311.747 4.511 30 20 DJED C=CCCCC[C@H](C)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 449240021 XQFZQYBLOQCPQE-SNRMKQJTSA-N 305.437 4.770 30 20 DJED C=CCc1ccccc1OCc1nnc(-c2ccccc2)s1 463768443 KYZPNXFYPLYMLL-UHFFFAOYSA-N 308.406 4.513 30 20 DJED C=CCC[C@@H](C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccccc1 468763891 ANANJQYIKLUKQN-HSALFYBXSA-N 323.411 4.548 30 20 DJED C=CCC[C@H](C(=O)Nc1ccc(F)c(F)c1F)c1ccccc1 487634452 APJSETCBCSTJMX-ZDUSSCGKSA-N 319.326 4.792 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)N(C)Cc1ccc(C#N)cc1 510035291 YFBXYHHLURPDIN-LJQANCHMSA-N 312.457 4.513 30 20 DJED C=CCCCS[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 522758429 XWTIUWCLSLFGRY-STQMWFEESA-N 311.878 4.605 30 20 DJED C=CCCOCCCCC(=O)Nc1cccc(Cl)c1Cl 540614626 QZICCNMBGJCOEA-UHFFFAOYSA-N 316.228 4.695 30 20 DJED C[C@@H](Nc1ccc(C#N)cn1)c1ccc(-c2cccc(C#N)c2)cc1 542966148 HHVJUYMCXXQEKM-OAHLLOKOSA-N 324.387 4.665 30 20 DJED N#CCc1ccc(CSCc2ncc(Cl)cc2Cl)cc1 544082746 OOYHQXFTEXDDFY-UHFFFAOYSA-N 323.248 4.888 30 20 DJED N#Cc1cc(C(=O)N(c2ccccc2)C2CCCCC2)ccc1F 551521142 UMOBWURNESMLFI-UHFFFAOYSA-N 322.383 4.677 30 20 DJED C=CCCC1(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)CC1 561089105 GAJPYABPLIVHMR-UHFFFAOYSA-N 306.409 4.742 30 20 DJED CSc1ccccc1C(=O)/C=C\c1ccc(O[C@H](C)C#N)cc1 588617968 MIWKTXIFDCRSBY-FWLQQBITSA-N 323.417 4.595 30 20 DJED CCc1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1 726436335 OGKZSUKBLWUCIO-UHFFFAOYSA-N 315.829 4.583 30 20 DJED CCCCCCCCC(=O)NCc1nc(C(C)(C)C)cs1 729440485 GMXJLVKSUQRSGL-UHFFFAOYSA-N 310.507 4.807 30 20 DJED C=CCOCC(=O)Nc1ccc(C)cc1N=Nc1ccc(C)cc1 729650546 RYWWEUPWOQTUMC-UHFFFAOYSA-N 323.396 4.860 30 20 DJED CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1nccs1 732621916 LHOYWECHIBEDCE-UHFFFAOYSA-N 320.632 4.939 30 20 DJED Clc1ccc2c(c1)CCC2=NNc1nccc2sccc12 743438258 LQOSGAOQVZIMAD-UHFFFAOYSA-N 313.813 4.712 30 20 DJED C[C@H](OC(=O)Cc1ccc(C#N)cc1)c1ccc2ccccc2c1 750246846 UHYOJGZJFAPMSP-HNNXBMFYSA-N 315.372 4.558 30 20 DJED Cc1c(C(=O)/C=C\c2nc(Cl)cs2)oc2ccccc12 759075877 PFJNKVNTDYNJLY-SREVYHEPSA-N 303.770 4.747 30 20 DJED CC(=NOCc1ncc(C(C)(C)C)o1)c1cc2ccccc2o1 760415701 BETDLTZEJPXLFK-UHFFFAOYSA-N 312.369 4.659 30 20 DJED O=C(/C=C\c1ccc(-n2cnc3ccccc32)cc1)c1ccco1 769771026 LEBGSBXNWJBWDX-XFXZXTDPSA-N 314.344 4.515 30 20 DJED O=C(/C=C/c1nc2c(s1)CCCC2)c1ccc(F)c(Cl)c1 776263250 CDJSKNTYHBNTQL-BQYQJAHWSA-N 321.804 4.711 30 20 DJED C=CCC[C@@H](C(=O)OCc1ccc(CC#N)cc1)c1ccccc1 777770762 OCWKFWYZMREOHN-HXUWFJFHSA-N 319.404 4.546 30 20 DJED COc1ccc(C(=O)/C=C/c2ccc(SC)s2)c(F)c1 798232306 QWEUZSUAEICWLQ-QPJJXVBHSA-N 308.399 4.514 30 20 DJED Cc1cc(Cl)ccc1/C=C\C(=O)c1cc([N+](=O)[O-])ccc1F 814190041 ASPVFNLZIYDOIU-CLTKARDFSA-N 319.719 4.592 30 20 DJED Fc1cc(F)cc(C2CC(=NNc3ccc(F)cc3F)C2)c1 814686662 VMRZXXONUSCNOX-UHFFFAOYSA-N 308.278 4.589 30 20 DJED N#Cc1ccc(NN=C2CC[C@@H]2C2CCC2)cc1C(F)(F)F 814828607 LKNIBPAHNIEIOL-CYBMUJFWSA-N 307.319 4.555 30 20 DJED CC(C)O[C@@H](CNc1ccccc1O[C@H](C)C#N)c1ccccc1 877183710 HJTXKYSQAQRKFG-UZLBHIALSA-N 324.424 4.556 30 20 DJED C#Cc1cccc(NC(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)c1 916673847 ONORUJCHAHOFKL-SFHVURJKSA-N 324.399 4.716 30 20 DJED N#Cc1ccccc1/C=C/C(=O)OCc1csc2ccccc12 920824509 TTXBMMAIBZYTGI-MDZDMXLPSA-N 319.385 4.530 30 20 DJED COc1ccc(/C=C2/Cc3c(F)cccc3C2=O)c2ccccc12 921263387 CMOLGBWFMIFLGK-KAMYIIQDSA-N 318.347 4.810 30 20 DJED C[C@@H](CC(C)(C)C#N)Nc1ccc(NC(=O)OC(C)(C)C)cc1 926036928 NFUZESBQEPXRPA-ZDUSSCGKSA-N 317.433 4.774 30 20 DJED C=C1CCN(c2nc(C)nc3scc(-c4ccccc4)c23)CC1 1116009078 NTKRICUWZQSQJA-UHFFFAOYSA-N 321.449 4.823 30 20 DJED CCc1oc2ccccc2c1-c1nnc(-c2cccc(C#N)c2)o1 1117231756 VYFDDDSOWTWQRB-UHFFFAOYSA-N 315.332 4.584 30 20 DJED C[C@H](Nc1cc(F)cc(C#N)c1)[C@H](C)c1ccc(Cl)cc1 1183327096 ZRAWGLOSEGKHGA-RYUDHWBXSA-N 302.780 4.955 30 20 DJED C[C@H](CN1CCC(c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 1184044415 AAJRDYLPDHGHOX-MRXNPFEDSA-N 322.427 4.680 30 20 DJED CC(C)CCN(C(=O)Nc1cc(C#N)ccc1F)C1CCCC1 1206057069 YFXHPYOLZFUFBB-UHFFFAOYSA-N 317.408 4.520 30 20 DJED O=C(/C=C\c1ncc(-c2ccccc2)[nH]1)c1ccc(Cl)s1 1251746903 VCUMJLGENYLJIJ-TWGQIWQCSA-N 314.797 4.688 30 20 DJED Cc1cc(C)c(/C=C\c2nnc(-c3ccc(C#N)cc3)o2)cc1C 1322257236 SRFXSLOPIWNBJJ-HJWRWDBZSA-N 315.376 4.704 30 20 DJED CC(C)Cc1ccc(CCCC(=O)Nc2cccc(C#N)c2)cc1 1349164698 DVLDJHLQHZOIJX-UHFFFAOYSA-N 320.436 4.718 30 20 DJED N#CCc1ccc(Oc2ccc(C(=O)OC3CCCC3)cc2)cc1 1351104961 UVTOVTMHYULBHM-UHFFFAOYSA-N 321.376 4.644 30 20 DJED N#CC[C@H](C(=O)O[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccccc1 1354720348 RIWRSJVESVKIHR-OWYHZJEWSA-N 311.425 4.586 30 20 DJED C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(CC#N)cc1 1473818538 QOXJJNDVTMBEDV-UWJYYQICSA-N 304.437 4.521 30 20 DJED CC[C@@H](CC(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccccc1 1515135184 BKJRQECCWGSXDP-WBVHZDCISA-N 307.393 4.746 30 20 DJED C[C@@H](CCC(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 1523659332 UGGDRPDZIPRIKI-ZDUSSCGKSA-N 312.800 4.734 30 20 DJED Cc1oc(-c2ccccc2)c(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c1C 1528491398 YHLHIVLFORDQBY-NVXWUHKLSA-N 323.392 4.803 30 20 DJED Cc1cc(C(=O)N(c2cccc(C#N)c2)C2CCC2)cc(C)c1F 1538990239 SKIQLNGYFDDWBC-UHFFFAOYSA-N 322.383 4.514 30 20 DJED N#Cc1nc(Sc2ccc3ccccc3c2)sc1Cl 1559049292 WTEJOAHOHZNHNX-UHFFFAOYSA-N 302.811 4.973 30 20 DJED CC(C)[C@@H]1CCCN(c2c(Br)cccc2C#N)CC1 1611994476 ZVHPOOFSEBIABY-CYBMUJFWSA-N 321.262 4.583 30 20 DJED CC(C)CC1CCN(c2ccc(C#N)c(Br)c2)CC1 1612087465 ULXGLLWWEHGEDD-UHFFFAOYSA-N 321.262 4.583 30 20 DJED CCCCN(CCc1ccc(C#N)cc1)[C@H](C)c1ccc(C)o1 1641610377 XWPGTSLYQRXWBU-QGZVFWFLSA-N 310.441 4.866 30 20 DJED CCC[C@@H](C)[C@@H]1CCCN1Cc1ccc(C#N)cc1OC(F)F 1642259003 QAVVHNWMHPYHNG-CJNGLKHVSA-N 322.399 4.560 30 20 DJED Cc1nc(N[C@H]2c3ccccc3CC[C@@H]2C)c(Cl)cc1C#N 1650911847 BBSLLJYTBCWWTG-APPDUMDISA-N 311.816 4.651 30 20 DJED Cc1c(C#N)cccc1NCc1ccc(F)c(C(F)(F)F)c1 1651151130 AAKQDICVQOCEPK-UHFFFAOYSA-N 308.278 4.637 30 20 DJED Cc1ccc([C@@H]2CCC[C@@H]2N(C)Cc2ccc(C#N)s2)cc1 1652575662 QJQJAEFWEOTPLJ-OALUTQOASA-N 310.466 4.696 30 20 DJED CC[C@@H](CN(CC)Cc1ccc(C#N)cc1OC)c1ccccc1 1653348794 ILLZCAVVGSDAGI-SFHVURJKSA-N 322.452 4.583 30 20 DJED CC(C)N(CCOc1cccc(C#N)c1)c1ccc(Cl)cc1 1653677046 CCAMJGUMSOWUMU-UHFFFAOYSA-N 314.816 4.505 30 20 DJED Cc1nc(N2CCCCC[C@@H]2/C=C\c2ccccc2)ccc1C#N 1655357325 YAYAUPAHUFXYAR-DDNJPHGJSA-N 317.436 4.724 30 20 DJED CO[C@@H](CSc1cccc(F)c1C#N)c1ccc(Cl)cc1 1656593111 RIINRWZGWMTFEC-HNNXBMFYSA-N 321.804 4.831 30 20 DJED CC(C)(CC#N)CN[C@@H]1CCCC[C@@H]1c1ccccc1Cl 1659422752 WVZSHIRVJOKTMR-NVXWUHKLSA-N 304.865 4.896 30 20 DJED Cc1cc(C#N)cc(N[C@@H](C)Cc2ccccc2C(F)(F)F)c1 1660024166 WFMVFQRNGVCJDL-ZDUSSCGKSA-N 318.342 4.929 30 20 DJED O=C(O)c1ccc2scc(/C=C/C(=O)C3CCCCC3)c2c1 1777685677 UEMLBZSAWUIWRK-SOFGYWHQSA-N 314.406 4.762 30 20 DJED CCOc1cc(/C=C2\CCCc3ccccc3C2=O)ccc1OC 13039794 UPXFJTDVTLRBKZ-GHRIWEEISA-N 322.404 4.697 30 20 DJED Cc1nc(SCCC#N)c2cc(-c3ccccc3)sc2n1 24094261 RLCDCJNSGOILRB-UHFFFAOYSA-N 311.435 4.673 30 20 DJED Cc1csc([C@H](C#N)C(=O)c2ccc(-c3ccccc3)cc2)n1 41520051 XYSFZTMAZSADLP-QGZVFWFLSA-N 318.401 4.609 30 20 DJED N#C[C@@H](C(=O)c1csc2ccccc12)c1nc2ccccc2o1 73977170 PLAXEEIOCLOLKL-LBPRGKRZSA-N 318.357 4.533 30 20 DJED Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1cc(C#N)cs1 93821656 CCKHKCNMRLJVIM-LBPRGKRZSA-N 319.499 4.701 30 20 DJED Cc1coc(-c2ccc(C)c(N[C@H](C#N)C3CCCCC3)c2)n1 160047133 QYDZFPWXCGZFCM-GOSISDBHSA-N 309.413 4.843 30 20 DJED C[C@@H](Nc1cccc(COCC2CC2)c1)c1ccc(C#N)cc1 174007309 IWAAEVTVVGESTD-OAHLLOKOSA-N 306.409 4.658 30 20 DJED C[C@@H](CCc1cccc(F)c1)Nc1ccccc1O[C@@H](C)C#N 180202677 LPPQIQGUHOGZPZ-GJZGRUSLSA-N 312.388 4.550 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)C1=CCCCCC1 186296934 LQGZKBQTVRDZTB-CQSZACIVSA-N 314.454 4.767 30 20 DJED CC(C)(C)OCc1cccc(CNc2ccc(C#N)cc2F)c1 301180794 NBOVHZHXDBWCHM-UHFFFAOYSA-N 312.388 4.625 30 20 DJED Cc1cc(N[C@H](C)c2cccc(C#N)c2)c2cc(F)ccc2n1 301663189 KHHPNJRUJBXNFR-CYBMUJFWSA-N 305.356 4.727 30 20 DJED Cc1c([C@H](C)Nc2c(C#N)cccc2C#N)oc2ccccc12 302852569 QIIGPSUSEBTXGM-ZDUSSCGKSA-N 301.349 4.658 30 20 DJED N#Cc1ccc(NCC2CCCCCC2)cc1Br 310762656 PWBXMWPBWRQFIF-UHFFFAOYSA-N 307.235 4.703 30 20 DJED COc1cccc2cc([C@@H](C)Nc3ccc(OCC#N)cc3)oc12 323869822 RGEZVDRNTNREEW-CYBMUJFWSA-N 322.364 4.517 30 20 DJED C[C@H](/N=C(/O)C1CCCC1)/C(O)=N/CCC1=CCCCCC1 328783665 HZIKNJJAZWOISJ-AWEZNQCLSA-N 306.450 4.759 30 20 DJED OC(=Nc1cccc2ocnc12)[C@@H]1CCC[C@@H](C(F)(F)F)C1 328920906 TUJYZDNLHNFHGO-NXEZZACHSA-N 312.291 4.785 30 20 DJED CC(C)(C)[C@@H]1CCC[C@H](/N=C(/O)C[C@@H]2CCCC(O)=N2)CC1 329629768 HRNQTUDHVXJNKX-ILXRZTDVSA-N 308.466 4.837 30 20 DJED C=CC[C@H](CC)NC(=O)c1sc(-c2ccccc2C)nc1C 410142943 NYMBSRWOXZJCQC-AWEZNQCLSA-N 314.454 4.511 30 20 DJED C=CCN(Cc1cccs1)C(=O)CCCc1ccc(C)s1 429935873 IWPSUHAHNUMXHS-UHFFFAOYSA-N 319.495 4.656 30 20 DJED C=C(C)COc1cccc(NC(=O)N2CCC[C@@](C)(CC)C2)c1 438124929 GZKUQGMFOPJFAS-LJQANCHMSA-N 316.445 4.686 30 20 DJED C[C@H](CC1CCCCC1)C(=O)N[C@H](CCC#N)c1ccccc1 439657876 HUXOJJYBEGXKEH-VQIMIIECSA-N 312.457 4.754 30 20 DJED C[C@@H](C(=O)Nc1sc(-c2ccccc2)cc1C#N)C(C)(F)F 460023211 LTOGGBWVIDWVRK-JTQLQIEISA-N 320.364 4.517 30 20 DJED CC[C@H](C)C[C@@H](C)NC(=O)c1ccccc1-c1ccccc1C#N 463912199 ZWJKXIPUSRCSFL-JKSUJKDBSA-N 320.436 4.780 30 20 DJED C=CCN(Cc1ccc(Cl)s1)Cc1nc(C)c(C)s1 470977863 ZVWXJYKZNYZLKQ-UHFFFAOYSA-N 312.891 4.663 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@H]2CC[C@@H](c3cccc(F)c3)C2)c1 480786567 PHRSUHZIUOKYHL-APWZRJJASA-N 322.383 4.648 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccsc1Cl 483263064 CCZHWIHYVKCYEA-HZPDHXFCSA-N 316.857 4.673 30 20 DJED N#CCC[C@H](NCc1ccc2c(c1)CCCC2)c1ccccc1 491212023 GFPRYTHAFSJPOI-NRFANRHFSA-N 304.437 4.700 30 20 DJED C=C(C)COc1cccc(NC(=O)CCc2ccccc2C)c1 504893563 GJODGBCTZZGXFS-UHFFFAOYSA-N 309.409 4.521 30 20 DJED CC[C@](C)(C#N)C(=O)N[C@@H](C)c1ccccc1Oc1ccccc1 509209643 HZYDLWZLMUEEJS-MGPUTAFESA-N 322.408 4.596 30 20 DJED CC(C)(C)CC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 515622422 OJDOBTQLZISXEN-UHFFFAOYSA-N 324.449 4.760 30 20 DJED C[C@H]1OCC[C@@H]1SCc1ccc(-c2ccccc2C#N)cc1 533626104 JGFHFGIMBLJSSV-KUHUBIRLSA-N 309.434 4.636 30 20 DJED CC(C)[C@@H](NCc1ccc(F)c(C#N)c1)c1ccccc1Cl 539288505 KKLRFCSOORAOBW-GOSISDBHSA-N 316.807 4.838 30 20 DJED Cc1csc(NC(=O)c2ccc(C(C)(C)C)s2)c1C#N 561837376 SKUHOYWMEBLWDL-UHFFFAOYSA-N 304.440 4.540 30 20 DJED N#Cc1cccc(C2(N[C@@H]3CCCc4ccc(Cl)cc43)CC2)c1 579385020 OYWYJPNWJKXBJG-LJQANCHMSA-N 322.839 4.868 30 20 DJED CC(=O)c1c(C)cc(C)c(CSCC2(CC#N)CC2)c1C 596330291 RXLDJHWYZMLXFW-UHFFFAOYSA-N 301.455 4.742 30 20 DJED CC(C)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C#N)cc1 598234242 GAUKKRYPNRSKCB-UHFFFAOYSA-N 321.424 4.560 30 20 DJED CC[C@H](c1ccccc1)N(CC(C)C)C(=O)c1ccc(C#N)cc1 609509799 TXUJPMGCMQIGKW-HXUWFJFHSA-N 320.436 4.808 30 20 DJED COc1ccc(Cl)cc1[C@H](C)N[C@@H](C)c1cccc(C#N)c1 610830072 BZNSRSUIDFXOKW-STQMWFEESA-N 314.816 4.632 30 20 DJED C[C@H]1CCC[C@H](c2noc(-c3cc4ccccc4n3CC#N)n2)C1 612911180 KJZCNLSBXJWDGP-ZFWWWQNUSA-N 320.396 4.509 30 20 DJED COCc1ccc(SCc2ccc(C#N)cc2Cl)cc1 615171956 FIUFAUBDKSCOFT-UHFFFAOYSA-N 303.814 4.650 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccc(F)cc1OC1CCCC1 676274761 CPVCNHIVNGUOSZ-UHFFFAOYSA-N 320.408 4.577 30 20 DJED CCCCCC[C@H](C)CC(=O)N(C)Cc1cccc(C#N)c1 727663964 LOYPOPCYENSUKZ-INIZCTEOSA-N 300.446 4.513 30 20 DJED CCOc1cccc(C=Nc2ccc(OC(C)C)c(C)c2)c1O 741463451 GBDACBIPIJLSJC-UHFFFAOYSA-N 313.397 4.637 30 20 DJED Cc1ccc([C@@H]2CCCC2=NNc2ncnc3sccc23)cc1 741837356 IXTMOGWRCQIHSU-AWEZNQCLSA-N 322.437 4.735 30 20 DJED Cc1ccc(/C=C/C(=O)c2c(Cl)nc3sccn23)c(C)c1 741847740 KVRIRCSXAPPNPT-AATRIKPKSA-N 316.813 4.562 30 20 DJED Cc1ccc2cc(C(=O)/C=C/c3cc(F)c(O)c(F)c3)oc2c1 754825909 RXMJHSCAHNHHCO-HWKANZROSA-N 314.287 4.621 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1cc(Cl)cs1 782325735 CRJXPMBKQVNIKH-WAYWQWQTSA-N 308.834 4.692 30 20 DJED C=C[C@@](C)(CC)C(=O)O[C@H](C)c1nc2ccccc2n1C(F)F 785756771 CTVFNMNYEWVBCQ-DIFFPNOSSA-N 322.355 4.638 30 20 DJED CC(/C=C/C(=O)c1cccc(F)c1)=C\c1cccc([N+](=O)[O-])c1 787168088 PCNFJAFPPCIHRW-PEGOPYGQSA-N 311.312 4.576 30 20 DJED CC(/C=C\C(=O)c1cnn(C(C)(C)C)c1C)=C\c1ccccc1 787186313 NRVIZCJMBCPIAQ-XGRKLIJNSA-N 308.425 4.789 30 20 DJED Cc1c(C(=O)/C=C/c2cccc(Cl)c2Cl)cnn1C(C)C 787187593 RTGGZQQUFPCUJL-BQYQJAHWSA-N 323.223 4.975 30 20 DJED CCCCCCCCS(=O)(=O)Cc1ccc(C(F)F)cc1 790149432 MDXUZXOGITUTFC-UHFFFAOYSA-N 318.429 4.900 30 20 DJED CC(=NOCCSC(C)C)c1csc(-c2ccccc2)n1 795228664 NNADNDKSUYNXTQ-UHFFFAOYSA-N 320.483 4.692 30 20 DJED C=CCC[C@H](NCc1ccc(N2CCCC2)cc1)c1ccco1 796695444 OPFVIHRWEOODBJ-IBGZPJMESA-N 310.441 4.677 30 20 DJED CSc1ccc([C@@H](C)Nc2nc(Cl)c(C#N)s2)cc1 804686046 RUQUHFMWGDWPNZ-MRVPVSSYSA-N 309.847 4.563 30 20 DJED C[C@H](N[C@H](C)c1ccc(OCC#N)cc1)c1cccc(C2CC2)c1 815591553 KPZUDXBFOUPJAH-CVEARBPZSA-N 320.436 4.878 30 20 DJED COc1ccc(C(=O)/C=C\c2ccccc2C(F)(F)F)c(F)c1 916141160 CCJNCCXZRVHNNO-TWGQIWQCSA-N 324.273 4.749 30 20 DJED Cc1ccc(-c2ccsc2C(=O)O[C@@H]2CC[C@@H](C#N)C2)cc1 1122718317 WEUKRTRUBYAUSI-UKRRQHHQSA-N 311.406 4.573 30 20 DJED N#Cc1cnc(N2CCCCC[C@H]2/C=C/c2ccccc2)c(F)c1 1186060908 CHTXCJALQJIBIB-ZGKFYVQTSA-N 321.399 4.555 30 20 DJED C=C(Br)CN1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 1193574644 IBGQITIHVBXSAM-ZACQAIPSSA-N 320.274 4.553 30 20 DJED Cc1ccc([C@H](C)CN[C@H]2CCCc3cc(C#N)ccc32)cc1 1206328316 JNIADYXASSBOTB-IERDGZPVSA-N 304.437 4.637 30 20 DJED C[C@H](CCC(C)(C)C)C(=O)N(c1cccc(C#N)c1)C1CCC1 1279140885 TYYLORFRQSTJKC-OAHLLOKOSA-N 312.457 4.906 30 20 DJED C=C(CNCc1cc(C)c(OC(F)F)c(C)c1)c1ccccc1 1308249161 ZUXOMBJFYYQWPP-UHFFFAOYSA-N 317.379 4.708 30 20 DJED C=CCCC[C@H](C)NC(=O)c1nc(-c2ccccc2)oc1C1CC1 1320638857 VCCNWYXTCFJKCR-AWEZNQCLSA-N 324.424 4.694 30 20 DJED N#CC1(CCSCc2cnc3ccccc3n2)CCCCC1 1328037558 FTOUTBKIEKLZIR-UHFFFAOYSA-N 311.454 4.727 30 20 DJED CC(C)(C)CN(Cc1ccccc1)C(=O)[C@]1(C#N)CC12CCCC2 1353083855 SWPJQBRJMNOCBK-OAQYLSRUSA-N 324.468 4.535 30 20 DJED C[C@@H](OC(=O)c1cccc(C2CCC2)c1)c1cccc(C#N)c1 1355926719 WGOLSPRWAVFFPQ-CQSZACIVSA-N 305.377 4.744 30 20 DJED N#Cc1cc(C(=O)Nc2ccccc2-c2cccs2)cs1 1357245795 MBCLFLYEVQTQLD-UHFFFAOYSA-N 310.403 4.601 30 20 DJED CC(C)(C)c1ccc(CCC(=O)Nc2ccc(F)c(C#N)c2)cc1 1361168458 RIMBFLMJOVUJNG-UHFFFAOYSA-N 324.399 4.566 30 20 DJED Cc1ccc([C@H]2C[C@H](C)N(C(=O)CC3(C#N)CCCCC3)C2)cc1 1436086729 IVMMFEPNYMWRRY-HKUYNNGSSA-N 324.468 4.564 30 20 DJED Cc1ccccc1[C@H](Nc1nccnc1C#N)[C@@H]1CCC[C@@H](C)C1 1472691197 PGVNSXLROHEBAU-IDHHARJASA-N 320.440 4.636 30 20 DJED CCCC1(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)CC1 1527164363 NAYIJKXVXQOGOX-NWDGAFQWSA-N 316.470 4.824 30 20 DJED Cc1cc(C(F)(F)F)cc(C)c1NC(=O)c1sccc1C#N 1534304824 FCEJPUSMWMLUSX-UHFFFAOYSA-N 324.327 4.508 30 20 DJED N#Cc1ccc(C(=O)NCC2(C3CCCCC3)CCCCC2)cc1 1537453782 ACZSYSLGPKMJNG-UHFFFAOYSA-N 324.468 4.819 30 20 DJED N#Cc1ccc(N(C(=O)C2[C@H]3CCCCCC[C@H]23)C2CCC2)cc1 1618610188 JAQXYVQJXVNPPW-OALUTQOASA-N 322.452 4.660 30 20 DJED CCCN(CC1CCCCC1)C(=O)Nc1cc(C)cc(C#N)c1 1625598264 DUSBALGIGDVMBC-UHFFFAOYSA-N 313.445 4.691 30 20 DJED Cc1cc(C)cc(CSc2nc3c(c(C)c2C#N)CCC3)c1 1640762607 MHZARIUAKMVSAQ-UHFFFAOYSA-N 308.450 4.660 30 20 DJED COc1ccccc1[C@H](C)SCc1cc(F)ccc1C#N 1640941921 QMENOGVLTJAVOM-LBPRGKRZSA-N 301.386 4.700 30 20 DJED Cc1ccc(SC[C@@H](C)Nc2ncc(C#N)cc2Cl)cc1 1642588383 IIOGFVAYILPGDX-GFCCVEGCSA-N 317.845 4.508 30 20 DJED N#Cc1nc(N[C@H](CC2CCC2)c2ccccc2)ccc1Cl 1650924676 LJDMWZSTFXEXTF-MRXNPFEDSA-N 311.816 4.950 30 20 DJED CC(C)(C)c1ccc(C#N)c(N[C@H]2CCCOc3ccccc32)n1 1655077759 KLBHQMRGBQEADD-INIZCTEOSA-N 321.424 4.577 30 20 DJED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1OCc1ccccc1 1658095601 FHGFFUFBCBZHPE-QXAKKESOSA-N 320.436 4.608 30 20 DJED CCC[C@@H](CCc1ccccc1)N[C@@H]1CCc2cc(C#N)ccc21 1659091465 IEVFPSGYNUBDQP-RBBKRZOGSA-N 318.464 4.937 30 20 DJED CSC1(CNc2ccc(Oc3ccccc3)c(C#N)c2)CC1 1659556422 TXGRZZQMEUSNQW-UHFFFAOYSA-N 310.422 4.658 30 20 DJED CC[C@H](C)c1ccc(/C=C/C(=O)c2ccc(C(=O)O)cc2O)cc1 1776698688 SJGAEYYGMFHDCR-VKUYVZBCSA-N 324.376 4.500 30 20 DJED C=CCN(C(=S)Nc1ccc(C)c(F)c1)c1ccccc1 7353573 HHQWUBJGBDAPOW-UHFFFAOYSA-N 300.402 4.524 30 20 DJED Cc1ccc(-c2cc(COc3ccc(C#N)cc3Cl)on2)cc1 32329316 ANMKIKPFDQFHGT-UHFFFAOYSA-N 324.767 4.754 30 20 DJED C[C@H]1CCC[C@H](OCc2cccc(NCc3ccc(C#N)o3)c2)C1 123843733 DHEVBCXSSVXREM-YJBOKZPZSA-N 324.424 4.859 30 20 DJED C=CCC[C@@H](NCc1csc([C@H](C)OC)n1)c1ccccc1 160047541 BPEDWPGDLDIKMU-WMLDXEAASA-N 316.470 4.648 30 20 DJED C[C@@H](NCc1ccc2ccccc2c1)c1ccc(OCC#N)cc1 171768793 VLMFMIFBTMHBGS-MRXNPFEDSA-N 316.404 4.593 30 20 DJED CC[C@H](C)N(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 177793323 MKIICBPZYFUEDA-AWEZNQCLSA-N 324.449 4.580 30 20 DJED CC(C)(C#N)CCC[S@@](=O)Cc1ccc(C(C)(C)C)cc1 177946885 YKZOFNNMWWAZPK-OAQYLSRUSA-N 305.487 4.563 30 20 DJED C[C@H](NCc1ccc(F)cc1C(F)(F)F)c1cccc(C#N)c1 181502737 AQCRCCVRGKYEDU-NSHDSACASA-N 322.305 4.567 30 20 DJED COc1ccccc1[C@H](CC(C)C)NCCCC(C)(C)C#N 181701308 CJKHMHHEXHOMFM-KRWDZBQOSA-N 302.462 4.702 30 20 DJED Cc1ccc(NC(=O)C(C)C)cc1N[C@H](C)c1cccc(C#N)c1 182578272 DBUNVQSIEQSBSR-OAHLLOKOSA-N 321.424 4.634 30 20 DJED CC(C)(CCC#N)CNCC1(c2ccc(C(F)(F)F)cc2)CC1 186507617 CECNTXPYSPNEDQ-UHFFFAOYSA-N 324.390 4.657 30 20 DJED C=CCCCCCS[C@@H](C)C(=O)Nc1c(F)cccc1F 192549442 OEACUFKTOVVQFQ-LBPRGKRZSA-N 313.413 4.771 30 20 DJED Cc1ncccc1/C=C1/Cc2c(ccc(Cl)c2Cl)C1=O 216869350 SIIJRAFTXGZJQC-XFFZJAGNSA-N 304.176 4.519 30 20 DJED C[C@H](Nc1ncc(C#N)cc1Cl)c1cc2ccccc2s1 301200143 PQTDSEKUNJWKQT-JTQLQIEISA-N 313.813 4.994 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1CCC(Cc2ccccc2)CC1 303686019 KKNQKOAHVCKZJE-KRWDZBQOSA-N 304.437 4.574 30 20 DJED Cc1c(NCC(C)(C)CCC#N)cnn1-c1ccc(Cl)cc1 342452936 VPKIKBDOWZZOPS-UHFFFAOYSA-N 316.836 4.576 30 20 DJED C[C@H](NCCC1(C#N)CCCCC1)c1ncc(-c2ccccc2)o1 411543642 RSIOMSLMVBNXJK-INIZCTEOSA-N 323.440 4.856 30 20 DJED N#CCC1(CN[C@H](CCc2ccccc2)Cc2ccccc2)CC1 430742257 LCJPTENMROPTAW-OAQYLSRUSA-N 318.464 4.514 30 20 DJED C=CCC[C@@H](NC(=O)Nc1cccc(F)c1F)c1ccccc1 435613205 ADBSQJAGGJWLTR-OAHLLOKOSA-N 316.351 4.794 30 20 DJED C=CCC[C@H](NC(=O)N1CC(C)(C)[C@H]1C1CC1)c1ccccc1 460390856 XEUUIGWMFKHPPB-ZWKOTPCHSA-N 312.457 4.524 30 20 DJED N#Cc1ccc(SCC(=O)Nc2cccc(C3CCC3)c2)cc1 462384131 NMNMJZOLBHRCSY-UHFFFAOYSA-N 322.433 4.557 30 20 DJED N#Cc1cccc(CN[C@@H](CC2CC2)c2ccc(Cl)cc2)c1 469048527 STTITSIHACEIKI-IBGZPJMESA-N 310.828 4.843 30 20 DJED CN(Cc1cc(F)ccc1C#N)Cc1csc2ccccc12 469195976 HKBAIRNQJMUIAK-UHFFFAOYSA-N 310.397 4.544 30 20 DJED CC(C)CC[C@H]1CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 476371174 BJGWHSATHOFIGV-GOSISDBHSA-N 312.457 4.529 30 20 DJED COCCCC[C@H](Nc1ccc(F)cc1C#N)c1ccccc1 480575322 FIRPPNJEZYUDTO-SFHVURJKSA-N 312.388 4.667 30 20 DJED CCc1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)s1 481922989 ZFJRNPJPNFENIN-IBGZPJMESA-N 310.466 4.739 30 20 DJED CCOCc1cccc(N[C@@H]2CCCCc3cc(C#N)ccc32)c1 481994981 VGDDYRAONKWZFO-OAQYLSRUSA-N 320.436 4.974 30 20 DJED C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 488878367 MACYXBKLVYGBJB-OWCLPIDISA-N 324.251 4.664 30 20 DJED CCCCCn1cc(CNc2ccc(Cl)cc2C#N)c(C)n1 502800380 XNTGMUFVJAARJG-UHFFFAOYSA-N 316.836 4.519 30 20 DJED C=CCOc1cccc(NC(=O)N(C)CCC2CCCCC2)c1 513869188 HQYZYAQRYYQVPF-UHFFFAOYSA-N 316.445 4.686 30 20 DJED C=CC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 517658708 PSEODERKJJFNDE-LSDHHAIUSA-N 324.251 4.522 30 20 DJED CCN(C(=O)C[C@@H]1CCCC[C@@H]1C)[C@@H](C)c1ccc(C#N)cc1 518808330 IVCBDYUDUGRBKL-BXWFABGCSA-N 312.457 4.684 30 20 DJED Cc1sc(NC(=O)c2cccc(-c3ccoc3)c2)c(C#N)c1C 536272973 SGGXXJJTEYNIJK-UHFFFAOYSA-N 322.389 4.749 30 20 DJED N#CC1(c2nc(-c3ccc(Cl)c(Cl)c3)no2)CCCCC1 545542960 NXXQCFCJPPRRHI-UHFFFAOYSA-N 322.195 4.769 30 20 DJED C=CCC[C@H](C(=O)N[C@H](C)Cc1ccsc1)c1ccccc1 547630977 AHXGEGJNGOTSJK-QAPCUYQASA-N 313.466 4.545 30 20 DJED N#Cc1ccnc(N2CCC[C@@H]2c2ccccc2Cl)c1Cl 553275607 LTTPJQJVXVGDRT-CQSZACIVSA-N 318.207 4.602 30 20 DJED C=CCC(C)(C)c1noc(-c2cnn(C3CCCCC3)c2C)n1 556364854 IDUZEMCVUHEQKR-UHFFFAOYSA-N 314.433 4.600 30 20 DJED CSc1ccc(CSc2nccc(C#N)c2Cl)cc1 557671880 DVKQBFYLHWLXBC-UHFFFAOYSA-N 306.843 4.621 30 20 DJED CCOc1ccccc1[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 565850391 LQCVBELZIYFLHC-QRWLVFNGSA-N 320.436 4.685 30 20 DJED CCCN(Cc1c(F)cccc1Cl)C(=O)CCCCCC#N 588279272 HNJLUYBIVWQROO-UHFFFAOYSA-N 324.827 4.692 30 20 DJED CCCCCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609434285 PJTKHKIYOSWHGA-UHFFFAOYSA-N 323.396 4.662 30 20 DJED CCCCN(C(=O)c1ccc(C#N)s1)[C@H](C)c1ccc(C)o1 610519308 BIRBRIASIZNYPR-CYBMUJFWSA-N 316.426 4.525 30 20 DJED N#Cc1ccc(CSc2ccc(-c3ccccc3)cc2)nc1 619573201 WUHZWOPWWXKDRP-UHFFFAOYSA-N 302.402 4.913 30 20 DJED C=CCN1C(=O)c2ccccc2N[C@H]1c1cccc(SCC)c1 639405573 ZSVSMYXWKPEERV-GOSISDBHSA-N 324.449 4.551 30 20 DJED CC(Cc1cccs1)=NNc1nc(-c2ccccc2)cs1 729635139 DVBTXNKGBUFXHP-UHFFFAOYSA-N 313.451 4.902 30 20 DJED C[C@@H](NN=Cc1c(Cl)cccc1OC(F)F)c1ccccc1 732924752 HCRDTDLQOVIHOQ-LLVKDONJSA-N 324.758 4.626 30 20 DJED COCc1cccc(C=NN[C@H](C)c2ccc(C(C)C)cc2)c1 743437215 DNEARWHYECYZEO-MRXNPFEDSA-N 310.441 4.641 30 20 DJED CC(C)Oc1ccc(/C=C\C(=O)c2c[nH]c3cc(F)ccc23)cc1 749454295 XLGWFWXAKBKNAJ-YHYXMXQVSA-N 323.367 4.990 30 20 DJED N#Cc1ccc(SCc2cc(F)ccc2[N+](=O)[O-])c(Cl)c1 754719326 JLNMSABFWPYOGX-UHFFFAOYSA-N 322.748 4.551 30 20 DJED O=C1/C(=C\c2ccc(Cl)nc2Cl)Cc2c(Cl)cccc21 761477671 OXDOCIMLMLITKC-TWGQIWQCSA-N 324.594 4.864 30 20 DJED CCc1ccc(C(=O)/C=C\c2ccc(C(F)(F)F)s2)o1 761481802 XRWQNFBBGGAVNE-XQRVVYSFSA-N 300.301 4.818 30 20 DJED CN(C(=O)C1CCCCCCC1)c1cc(Cl)ccc1C#N 764271926 JCFOURYRQLIALG-UHFFFAOYSA-N 304.821 4.535 30 20 DJED C#CCOc1ccc([C@H](C)N[C@H](CC)c2ccc(OC)cc2)cc1 764615028 KVCJASOGJYSKJA-HRAATJIYSA-N 323.436 4.509 30 20 DJED C#CCOc1ccc([C@H](C)N[C@@H](c2ccccc2)C2CC2)cc1 764742236 DGCJCZMNKLYAHY-KKSFZXQISA-N 305.421 4.501 30 20 DJED CCCCCCCCC(=O)Nc1cnn(C2CCCC2)c1C 768026725 GZAQTWINLRUJNT-UHFFFAOYSA-N 305.466 4.996 30 20 DJED CCN(Cc1c(O)cccc1Cl)[C@@H](C)c1ccc(C#N)cc1 768512953 NDCNWIZDLCYDAJ-ZDUSSCGKSA-N 314.816 4.500 30 20 DJED CSc1ccc2c(c1)CC/C(=C\c1ccc(C#N)cc1F)C2=O 772804041 BBMRBXSBOQSZPJ-OQLLNIDSSA-N 323.392 4.632 30 20 DJED CC(=NNc1ncccc1C)c1cc(Cl)sc1Cl 790187548 XGQLCALYQRDIAI-UHFFFAOYSA-N 300.214 4.594 30 20 DJED CC(/C=C/C(=O)c1ccncc1)=C\c1ccccc1OC(F)F 811685174 KWWSJZMIERCPFB-GYIPPJPDSA-N 315.319 4.525 30 20 DJED COc1ccsc1C(=O)/C=C/c1cscc1C(F)(F)F 811694465 SFTOPHIIVNWVNK-NSCUHMNNSA-N 318.341 4.733 30 20 DJED CCCC(=NNc1ccnc2cc(Cl)ccc12)c1ccccn1 814693753 GFTIUDOMIGZICG-UHFFFAOYSA-N 324.815 4.900 30 20 DJED CC(C)=CCC[C@H](C)CC(=O)[C@@H](C#N)c1nc2ccccc2n1C 842678008 QRBKBUHHNVLGKM-JKSUJKDBSA-N 323.440 4.522 30 20 DJED CCCCOc1ccc(NCc2ccc(C#N)cc2F)c(C)c1 918734288 WLCFOQVNFWHQTC-UHFFFAOYSA-N 312.388 4.797 30 20 DJED CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 1126054071 SKDNGTUTXAEQCT-HUUCEWRRSA-N 322.408 4.971 30 20 DJED CC(C)(C)c1cc(NC(=O)c2cccc3[nH]ccc23)c(C#N)s1 1127706213 QAWSGBYEVYOWTJ-UHFFFAOYSA-N 323.421 4.651 30 20 DJED N#C[C@@H]1CCC[C@H](NCc2ccc(Cl)c(C(F)(F)F)c2)C1 1183146711 ZUAICZWTYZMMEB-PWSUYJOCSA-N 316.754 4.531 30 20 DJED Cc1cc2occ(C(=O)O[C@H](C)c3cccc(C#N)c3)c2cc1C 1266018806 KMSSQISRIBTRGR-CQSZACIVSA-N 319.360 4.839 30 20 DJED CCC[C@H](CCc1ccccc1)Nc1cccc(OCC#N)c1 1308677188 LLSZTIARVUTHML-GOSISDBHSA-N 308.425 4.802 30 20 DJED N#C[C@@H](Cc1ccccc1)Sc1ncc(-c2ccccc2)o1 1320351338 FUEFALRBFJEAHM-MRXNPFEDSA-N 306.390 4.569 30 20 DJED CCc1ccc([C@@H](C)C(=O)O[C@H](C)c2ccc(C#N)cc2)cc1 1457191705 MNFPATNTVPWPRY-HUUCEWRRSA-N 307.393 4.529 30 20 DJED N#Cc1cc(CN2CCC[C@H]2CC2CCCCC2)ccc1F 1473132357 XQDSJRBSUMOKSA-SFHVURJKSA-N 300.421 4.632 30 20 DJED C=C(Cl)CN[C@H](C)c1ccccc1OCc1ccccc1 1473310202 GWHSHJRBCVFLEW-OAHLLOKOSA-N 301.817 4.669 30 20 DJED N#CC1(CC(=O)N2CCC[C@@H]2CCC2CCCC2)CCCCC1 1517726258 GLXQFZPEUXCPPV-GOSISDBHSA-N 316.489 4.812 30 20 DJED CC(C)CCC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1521689668 PRLUOEORQNMBSD-INIZCTEOSA-N 320.436 4.839 30 20 DJED CCc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1CC 1522969685 PNXQYLRZYRTWKQ-UHFFFAOYSA-N 312.438 4.614 30 20 DJED CC[C@@H](C)c1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 1524022765 FISRSQVOOHEBFJ-GFCCVEGCSA-N 312.800 4.977 30 20 DJED C[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 1528199789 RWVCVLMPUKLFAN-LSDHHAIUSA-N 320.392 4.725 30 20 DJED CC[C@H]1CCC[C@H](Nc2c(Br)cccc2C#N)C1 1612007366 SGJVKCPDUBSAGZ-AAEUAGOBSA-N 307.235 4.701 30 20 DJED CCCCN(Cc1cccc(F)c1C#N)[C@H]1CCC[C@@H](C)C1 1621360793 MLLREIFZHKTADF-WBVHZDCISA-N 302.437 4.878 30 20 DJED Cc1ccc(C)c(-n2ncc(Nc3cccc(F)c3C#N)c2C)c1 1642468943 UYHZLGIGTNCYEB-UHFFFAOYSA-N 320.371 4.552 30 20 DJED CN(Cc1cc(Cl)cc(Cl)c1)[C@H](C#N)c1ccccc1 1644350045 NKRADKRAORRBMT-MRXNPFEDSA-N 305.208 4.690 30 20 DJED N#CCc1ccc(COc2c(F)cc(Cl)cc2Cl)cc1 1652055883 NPWJTZZHZBOKAC-UHFFFAOYSA-N 310.155 4.778 30 20 DJED CC(C)C1(C)CCN(Cc2cc(Cl)ccc2OCC#N)CC1 1654221954 RRCYAYUYAVYTSM-UHFFFAOYSA-N 320.864 4.500 30 20 DJED CC1(C)CCc2ccccc2[C@H](NCc2ccc(F)cc2C#N)C1 1654260966 CAANSKGCCFRSOP-HXUWFJFHSA-N 322.427 4.891 30 20 DJED CCC[C@@H](CC)Nc1cc(C)c(C#N)c2nc3ccccc3n12 1655066815 YBMMAYYZJPBSKZ-CQSZACIVSA-N 306.413 4.658 30 20 DJED Cc1cc(C#N)cc(NC(=O)N2CC[C@H](C(C)(C)C)C[C@H]2C)c1 1678413227 MIMQRWTXPZPCDU-ZBFHGGJFSA-N 313.445 4.545 30 20 DJED C[C@H](NCc1ccccc1C#N)c1ccc(Cl)cc1Cl 19232936 HJNBGPCMFABOIP-NSHDSACASA-N 305.208 4.716 30 20 DJED N#Cc1ccc(N[C@H](c2ccccc2)c2ccc(Cl)cc2)nc1 25503565 CEECACICRYZWLW-LJQANCHMSA-N 319.795 4.808 30 20 DJED O=C(/C=C\c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 35362835 FJVYPOJATLHZEX-ALCCZGGFSA-N 322.147 4.798 30 20 DJED C[C@H](c1ccc(F)c(Cl)c1)N(C)Cc1ccc(C#N)cc1 60467925 SMAPBDSFJNHNRQ-GFCCVEGCSA-N 302.780 4.544 30 20 DJED CCOc1ccc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)cc1 90665205 TXUVHGSUKQTJFB-UZLBHIALSA-N 308.425 4.781 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)CC1CCCCC1 108241606 GZGOBJLMCSJICD-AWEZNQCLSA-N 316.470 4.847 30 20 DJED C[C@@H](CCC(=O)[C@H](C#N)c1nc2ccccc2o1)c1ccccc1 178958264 PUTIDXSJYFRQOP-HOCLYGCPSA-N 318.376 4.588 30 20 DJED C#CCC(C)(C)C(=O)Nc1cccc(COc2ccccc2)c1C 185958922 FOKXHALJDFLGAF-UHFFFAOYSA-N 321.420 4.562 30 20 DJED C#CC[C@H](N[C@@H]1CCSc2ccc(OC)cc21)c1ccccc1 276082141 BLCQKHSQGIUZDX-RBUKOAKNSA-N 323.461 4.586 30 20 DJED Cc1nc(S[C@H](C)c2ccc(C#N)cc2)c2ccccc2n1 303691312 MEGKDQQQPSXUOV-GFCCVEGCSA-N 305.406 4.663 30 20 DJED CC(C)(C)c1ccc(C(=O)Nc2ccc(C#N)cc2Cl)cc1 317838144 QQKLXZOSLCEKLA-UHFFFAOYSA-N 312.800 4.761 30 20 DJED Cc1nc(-c2ccccc2NCc2cc(C#N)ccc2F)cs1 359622126 XCHREMUBEZJODM-UHFFFAOYSA-N 323.396 4.741 30 20 DJED CCc1nc(C)c([C@@H](C)N(C)CCCCC(C)(C)C#N)s1 409446897 MMKGAUFXPMCODV-CQSZACIVSA-N 307.507 4.727 30 20 DJED CCc1ccc(CC)c(NC(=O)c2cccc(SCC#N)c2)c1 430600472 YCOCSRGXJMYEFC-UHFFFAOYSA-N 324.449 4.679 30 20 DJED C=CCC[C@@H](NC(=O)CCCc1cccs1)c1ccccc1 435281092 VIVYYOYLXNOIOK-GOSISDBHSA-N 313.466 4.895 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1cccc(-c2ccccc2OC)c1 442971585 ZPPIQZGEDAUXOV-FQEVSTJZSA-N 309.409 4.903 30 20 DJED C[C@H](NC1CCC(C)(C#N)CC1)c1ccc(C(F)(F)F)cc1 449077792 YUDDXNCSXXXEMY-JQRITLKVSA-N 310.363 4.828 30 20 DJED C=CCC1(C(=O)N[C@H](C)CCCC(F)(F)F)CCCCC1 451175352 JNZDILUIWSRGDM-CYBMUJFWSA-N 305.384 4.750 30 20 DJED C=CCCN[C@@H](c1ccccc1Cl)c1ccccc1OC 462234571 HAXZKGGDNDWGPC-SFHVURJKSA-N 301.817 4.604 30 20 DJED N#C[C@H]1CCC[C@@H](NCCSCc2cccc3ccccc23)C1 463290922 LUGVTNMZBMNGAQ-QFBILLFUSA-N 324.493 4.745 30 20 DJED CC#CCCCC(=O)Nc1nc(-c2ccccc2Cl)cs1 464551415 BKINWMVPJUGXQY-UHFFFAOYSA-N 318.829 4.596 30 20 DJED C=CC[C@H](CC)NC(=O)N1CCCC[C@@H]1c1ccc(F)cc1F 466407151 AZCBEOKZVPRZHB-WMLDXEAASA-N 322.399 4.556 30 20 DJED C=CC[C@@H](CC)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 467409887 BHBFTCWYMCNCCY-TZMCWYRMSA-N 301.352 4.633 30 20 DJED C=CC[C@@H](C(=O)N[C@H](C)c1c(F)cccc1F)c1ccccc1 487709284 OCIGXFYOGYPPEJ-UKRRQHHQSA-N 315.363 4.502 30 20 DJED C=CC[C@@H](C(=O)N[C@H]1CCCc2sccc21)c1ccccc1 490279862 SGRURBJMAAMHAD-WBVHZDCISA-N 311.450 4.602 30 20 DJED CCCCN(C(=O)c1ccc(C#N)cc1)[C@H](C)c1ccccc1 498809912 BEQKFIIYHUTWSX-MRXNPFEDSA-N 306.409 4.562 30 20 DJED C/C=C/c1ccc(NCc2ccc(C#N)cc2OC(F)F)cc1 520783402 ZEYLGOJQUYLEFK-NSCUHMNNSA-N 314.335 4.805 30 20 DJED C[C@H](NCC1(Sc2ccccc2)CC1)c1ccc(C#N)cc1 538393194 JCXHFDNSLNBZCG-HNNXBMFYSA-N 308.450 4.534 30 20 DJED C=CCC[C@H](C)NCCc1nc(-c2ccccc2)c(C)s1 541743592 UZDPZKPUKIVYQX-AWEZNQCLSA-N 300.471 4.605 30 20 DJED C[C@@H](c1nc2ccccc2s1)N(C)Cc1ccc(CC#N)cc1 542211995 AUIJAPHIQOCQLH-AWEZNQCLSA-N 321.449 4.555 30 20 DJED C=C[C@H](Cc1nc(-c2ccccc2OCC)no1)c1ccccc1 545583731 MJBLGYPIIKFFIW-OAHLLOKOSA-N 320.392 4.648 30 20 DJED C=CCC(F)(F)c1nc(-c2ccc(C(F)(F)F)c(F)c2)no1 551339834 KNIDIHPDGPMCQH-UHFFFAOYSA-N 322.208 4.562 30 20 DJED N#CCC[C@@H](C#N)COc1ccc(Cl)cc1Cc1ccccc1 555566487 OSLYFJPFHZVWBS-INIZCTEOSA-N 324.811 4.753 30 20 DJED CCOc1ccc(Cl)cc1[C@H](C)NCC(C)(C)CCC#N 562045725 NMHSXOQHMNUNPY-ZDUSSCGKSA-N 308.853 4.719 30 20 DJED N#CCC[C@@H](C#N)CN[C@@H](c1ccc(Cl)cc1)C1CCCC1 573794337 GRSLHVUXPZRYRO-KBXCAEBGSA-N 315.848 4.604 30 20 DJED CC[C@H](NCc1cc2cc(C)ccc2o1)c1ccc(C#N)cc1 584481097 AKOVWUYGYKEZNZ-IBGZPJMESA-N 304.393 4.854 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(C2CCC2)cc1 590188282 MLBIIUABEXMPRR-NRFANRHFSA-N 302.421 4.603 30 20 DJED N#C[C@@H](Cc1ccccc1)Sc1nc(-c2ccccc2)co1 618149644 HVTSHWNOJWMOGY-MRXNPFEDSA-N 306.390 4.569 30 20 DJED C=CCC1(NCc2nc(C(F)(F)F)cs2)CCCCC1 625935129 OAQRMMFOXCWEBU-UHFFFAOYSA-N 304.381 4.531 30 20 DJED CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1F 726425752 FOCVBONKFOLPTC-UHFFFAOYSA-N 321.277 4.552 30 20 DJED C#Cc1cccc(N(C(=S)N[C@@H](C)c2ccccc2)C(C)C)c1 728226816 JZXRIKBJAFURMC-INIZCTEOSA-N 322.477 4.518 30 20 DJED C[C@H](CC#N)N(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O 728902788 XEAPTUXRNRGPOG-CQSZACIVSA-N 316.489 4.721 30 20 DJED COc1ccc(OC(F)F)c(/C=C\C(=O)c2cccc(C)c2)c1 732927110 YHMKPAJSINYCJP-VURMDHGXSA-N 318.319 4.501 30 20 DJED COc1cccc(C(=O)/C=C/c2cc(C(F)(F)F)ccc2F)c1 733205471 WZYSLQPNPXXVAL-VMPITWQZSA-N 324.273 4.749 30 20 DJED O=C(/C=C/c1cc2cc(F)ccc2o1)c1ccc(F)cc1F 741852507 MMKHSOSKBBGWNG-HWKANZROSA-N 302.251 4.746 30 20 DJED CCCCCCCCCN(C)C(=O)c1c(C)noc1C(F)F 746151961 MMJNXLWCKWKXBV-UHFFFAOYSA-N 316.392 4.743 30 20 DJED FC(F)(F)c1ccccc1ON=Cc1cc2ccccc2o1 754712207 GDIVIJMRFKFJLE-UHFFFAOYSA-N 305.255 4.865 30 20 DJED COc1ccc(NN=Cc2c(Cl)oc3ccccc23)cc1 761274863 VZPUJLUSDLTCIS-UHFFFAOYSA-N 300.745 4.541 30 20 DJED C=CCCOCCCCC(=O)N(C)c1ccc(C(C)C)cc1 775777859 NXYJCDFMDXAMHB-UHFFFAOYSA-N 303.446 4.536 30 20 DJED Cc1ccc(-c2ccc(C(=O)OCC3(C#N)CC3)c(F)c2)cc1C 775857072 MTOIOWFKWJQASB-UHFFFAOYSA-N 323.367 4.570 30 20 DJED C[C@H](NN=Cc1c(Cl)ccc2cccnc12)c1ccccc1 781122102 GDLBSQIXWBKVPO-ZDUSSCGKSA-N 309.800 4.573 30 20 DJED CC(C)n1nccc1/C=C1\CCc2c(sc3ccccc23)C1=O 794941480 PERBTVXSNSHMSA-ACCUITESSA-N 322.433 4.891 30 20 DJED CC[C@@](C)(C#N)C(=O)O[C@@H](C)c1cc(Cl)ccc1Cl 797173523 WOCQQBGQRZCFQW-XPTSAGLGSA-N 300.185 4.537 30 20 DJED CC(C)C[C@@H](Nc1nc(Cl)c(C#N)s1)c1ccccc1 804328230 DUHGBRNESDLOQV-GFCCVEGCSA-N 305.834 4.867 30 20 DJED O=[N+]([O-])c1ccc(-c2ccc(C=NNc3ccccc3)s2)cc1 818196046 HQMCEBRJYBQOSZ-UHFFFAOYSA-N 323.377 4.769 30 20 DJED N#CCCCCCC(=O)OCc1cc(Cl)sc1Cl 835979482 QNDFLTRGJBPOTJ-UHFFFAOYSA-N 306.214 4.572 30 20 DJED CC[C@H](c1ccccc1)N(CC)C(=O)/C=C\c1ccccc1C#N 914507140 FSFKTPZUBIXTNP-HMZRMUTASA-N 318.420 4.571 30 20 DJED CC[C@H](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 1124283229 OYSKTPRCXOSPND-NWDGAFQWSA-N 304.459 4.509 30 20 DJED Cc1ccc(Cl)cc1CNc1nc(C(C)(C)C)ccc1C#N 1164288153 MHKJYOBTBHMHIN-UHFFFAOYSA-N 313.832 4.825 30 20 DJED CC(C)[C@@H]1CCc2ccccc2[C@H]1NCc1cccc(F)c1C#N 1205262279 RORQFCGUXPXFHK-UWJYYQICSA-N 322.427 4.747 30 20 DJED CCCC[C@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)C(C)C 1266570167 AZMDZIPESMSMCJ-IBGZPJMESA-N 312.457 4.512 30 20 DJED CCC(C)(C)c1ccc(COC(=O)c2ccc(C#N)s2)cc1 1266639659 GHHDYQXUIKDRDR-UHFFFAOYSA-N 313.422 4.664 30 20 DJED C[C@@H](Nc1cccc(CC#N)n1)c1ccc(Cl)cc1Cl 1321213475 NUYHZBRCVGXONX-SNVBAGLBSA-N 306.196 4.628 30 20 DJED CC[C@H]1CCC[C@H]1C(=O)N(Cc1ccco1)c1ccccc1C#N 1349928963 FFUZWVLZVPRFFE-MAUKXSAKSA-N 322.408 4.511 30 20 DJED CC(C)(C)c1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1 1352550733 KGZAOOCWQVMJGP-UHFFFAOYSA-N 312.800 4.761 30 20 DJED CCc1ccc([C@@H](NCc2cc(C#N)ccc2OC)C(C)C)cc1 1473256284 NZLOLPLHXKMTJO-NRFANRHFSA-N 322.452 4.616 30 20 DJED CCCC[C@@H](C(=O)Nc1cc(C#N)ccc1OC(F)F)C(C)C 1520477650 RMNCWHRCTAYWEF-CYBMUJFWSA-N 324.371 4.561 30 20 DJED CCCc1ccc(CCCC(=O)Nc2cccc(CC#N)c2)cc1 1545055465 KXPCQRGJELUPBG-UHFFFAOYSA-N 320.436 4.667 30 20 DJED C[C@H]1CCCN(Cc2ccc(-c3ccccc3C#N)cc2)[C@H]1C 1559559296 NUBFZPHORPPQPN-IRXDYDNUSA-N 304.437 4.846 30 20 DJED Cc1cc(Cl)cc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)c1 1586911228 DJPKUIFLQOTHIF-UHFFFAOYSA-N 324.811 4.719 30 20 DJED CC[C@H](CSc1ccccc1)Nc1nc(Cl)c(C#N)s1 1612165169 OUIBUZGZUBLGBD-SNVBAGLBSA-N 323.874 4.651 30 20 DJED C[C@@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)CC[C@H]1C 1616375562 PJGXJQREAJNSLH-IAGOWNOFSA-N 304.437 4.703 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2NC1CCC(c2ccccc2)CC1 1621307446 LYVZMRPCRXPQIK-ZOGYUUGASA-N 316.448 4.862 30 20 DJED CC(C)(C)CN(CC(C)(C)C)C(=O)Nc1cc(F)cc(C#N)c1 1626925536 NXRRLKOKICPHRM-UHFFFAOYSA-N 319.424 4.623 30 20 DJED Cc1cc(S[C@@H](C)C(C)C)n2c(nc3ccccc32)c1C#N 1651583260 WLNWLRUFNGSBNM-ZDUSSCGKSA-N 309.438 4.804 30 20 DJED CCCN(Cc1cccc(C#N)c1F)c1ccc(Cl)cc1 1657664870 NBEYVQSCYOWXEY-UHFFFAOYSA-N 302.780 4.767 30 20 DJED N#Cc1ccc(F)c(CNCc2ccc(-c3cccs3)cc2)c1 1658609145 YMFRQFLEDPXOHC-UHFFFAOYSA-N 322.408 4.716 30 20 DJED CC(C)(C)CN(CC(C)(C)C)C(=O)Nc1ccc(F)cc1C#N 1669604801 LKEWGEKSOLUOIR-UHFFFAOYSA-N 319.424 4.623 30 20 DJED CCOc1cccc2cc([C@H](C)NCc3cccc(C#N)c3)oc12 53143317 LENODXGPXIPCII-AWEZNQCLSA-N 320.392 4.554 30 20 DJED N#Cc1ccccc1-c1ccc(CSCc2ccon2)cc1 77413572 HFRIBFPELBDNTB-UHFFFAOYSA-N 306.390 4.647 30 20 DJED CC(C)CCN(CCC#N)C(=O)Nc1ccc(C(C)C)cc1 78440148 LNNSPNXJKFACEB-UHFFFAOYSA-N 301.434 4.604 30 20 DJED CC(C)(C#N)CCSc1nnc(-c2ccc3ccccc3c2)o1 78961872 JLXVRSUGTCOGNO-UHFFFAOYSA-N 323.421 4.922 30 20 DJED CCOc1cccc(CNc2ccc(C#N)c(C(F)(F)F)c2)c1 111218407 XEWGWMLCNBLTQK-UHFFFAOYSA-N 320.314 4.588 30 20 DJED N#CCCSc1ccccc1NCc1ccc(F)c(F)c1 117869250 ULSGZBUIXDTPDE-UHFFFAOYSA-N 304.365 4.583 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ncc(-c2ccccc2)o1 173904054 JWERPTDZTZRENC-CABCVRRESA-N 317.392 4.625 30 20 DJED C#CCCCCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 179677179 NEORPNAHTVLYFA-UHFFFAOYSA-N 318.376 4.627 30 20 DJED CCCCC[C@H](C)CC(=O)Nc1ccccc1O[C@@H](C)C#N 182058828 ZYXNAXCYNYDHDY-GJZGRUSLSA-N 302.418 4.522 30 20 DJED Cc1cc(N2CCCC2)ccc1N[C@H](C)c1cccc(C#N)c1 192979591 IRLWHVIZCRQIDC-MRXNPFEDSA-N 305.425 4.640 30 20 DJED COc1ccc(C)cc1/C=C\C(=O)c1cc2cccc(OC)c2o1 206253778 WIODGTBBYRRDRF-HJWRWDBZSA-N 322.360 4.655 30 20 DJED C[C@@H]1C[C@@H]1[C@@H](NCc1cccc(C#N)c1)c1ccc(Cl)cc1 237354659 SJFGIMVFSJTCEK-VMDGZTHMSA-N 310.828 4.699 30 20 DJED CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 254833755 LYFRMKYXVQQZAQ-UHFFFAOYSA-N 305.337 4.584 30 20 DJED CC[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccc(Cl)cc1 301797373 QYJMUXAFIQMLIU-HNNXBMFYSA-N 315.760 4.683 30 20 DJED Cc1noc(Cl)c1CC/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@H]2C1 329236052 NZXXDXRGCRZSNJ-MELADBBJSA-N 324.852 4.884 30 20 DJED CC(C)Oc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 341756587 FTPQZWWNEYDWKF-OAQYLSRUSA-N 320.436 4.513 30 20 DJED CC(C)(C)C[C@@H](NC(=O)CCCC#N)c1ccc(Cl)cc1 360291285 URYWBMKRIBNWAS-OAHLLOKOSA-N 306.837 4.627 30 20 DJED C=C(C)C(C)(C)C(=O)Nc1cccc(Cl)c1OCC(F)F 425611602 OUVVGBRENAWJAY-UHFFFAOYSA-N 317.763 4.525 30 20 DJED C=CCC(C)(C)CNC(=O)N(CC)Cc1ccc(Cl)s1 432596737 JGMJPEGWKXIOPU-UHFFFAOYSA-N 314.882 4.535 30 20 DJED Cc1ccc(Oc2ccccc2CN[C@@H]2CC[C@@H](C#N)C2)cc1 442780221 MNGCSSIGVGMBOI-SJLPKXTDSA-N 306.409 4.569 30 20 DJED CC(C)(C)[C@H]1CN(C(=O)c2cccc(CC#N)c2)c2ccccc21 443870888 VIVCSPDWGLATEY-SFHVURJKSA-N 318.420 4.543 30 20 DJED C=C(C)CN1CCC(N[C@@H]2C[C@H](C(C)C)c3ccccc32)CC1 447531207 QGEKMJMWHRLJLL-NHCUHLMSSA-N 312.501 4.501 30 20 DJED CC[C@@H](Nc1ccc(F)cc1C#N)c1ccccc1OC(F)F 462929005 PMAVYUQLQHLFBQ-CQSZACIVSA-N 320.314 4.862 30 20 DJED N#Cc1cc(Cl)ccc1CSCc1nc2ccccc2[nH]1 478918879 ZFIKPJICUVRODV-UHFFFAOYSA-N 313.813 4.521 30 20 DJED C=CCC[C@@H](C(=O)Nc1ccc2nc(C)oc2c1)c1ccccc1 487530199 AUOADNPDMSDNCD-QGZVFWFLSA-N 320.392 4.825 30 20 DJED CCC[C@H](C(=O)N(Cc1ccco1)c1ccccc1C#N)C(C)C 488404198 DXXSBFLTUPZHCX-SFHVURJKSA-N 324.424 4.757 30 20 DJED C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 488852882 KJZBLJQGCFSORC-MGPQQGTHSA-N 324.251 4.664 30 20 DJED CC(C)(C#N)CCCN[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 513147364 AUTVPYHXMFIVRH-HNNXBMFYSA-N 323.362 4.691 30 20 DJED C=CCN(Cc1cccs1)C(=O)N[C@@H](C)CCC(C)(C)C 522907620 OBEQCGLETDUANR-AWEZNQCLSA-N 308.491 4.661 30 20 DJED C=CCN(Cc1cnc([C@H]2CCCO2)s1)CC1CCCCC1 536671915 YPJUIQIZWLKHNW-QGZVFWFLSA-N 320.502 4.563 30 20 DJED C=CCCOCCCCC(=O)Nc1ccc(Cl)cc1Cl 539364970 RMGIYAGEZVMVOG-UHFFFAOYSA-N 316.228 4.695 30 20 DJED C=C(C)COc1cccc(NC(=O)N(C)[C@@H](C)CCCC)c1 573291495 QSRFDPJEAPGOFZ-HNNXBMFYSA-N 304.434 4.684 30 20 DJED COc1ccc2oc([C@@H](C)Nc3ccc(C#N)cc3F)c(C)c2c1 609288092 VWVOFOADCMKRGC-GFCCVEGCSA-N 324.355 4.934 30 20 DJED Cc1ccccc1Oc1ccccc1CNc1ccc(C#N)cn1 609288308 SDOZEBFMOXDYNC-UHFFFAOYSA-N 315.376 4.666 30 20 DJED N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCCc2c(Cl)cccc21 618806171 OUEGJEOLNIYEJM-WOJBJXKFSA-N 322.839 4.866 30 20 DJED C=C[C@@H](CC(=O)NC1(Cc2ccccc2)CCC1)c1ccccc1 677569869 OHFRUIWTBOENCV-IBGZPJMESA-N 319.448 4.628 30 20 DJED CCC(=NNc1ncnc2sccc12)c1cccc(Cl)c1 725818992 YXZGTXYFCMSWQX-UHFFFAOYSA-N 316.817 4.571 30 20 DJED C[C@@H](/N=C\c1ccccc1O)c1nc(-c2ccccc2)cs1 730434694 QSDJRDWDMUASGX-LPXFMOJISA-N 308.406 4.696 30 20 DJED C=CC[C@H](NC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1)c1ccncc1 734459707 JYIWGBRBXGKFMS-BQFCYCMXSA-N 314.473 4.668 30 20 DJED FC(F)(F)c1cccc(NN=C2CC[C@@H]3CCCC[C@@H]3C2)n1 739421568 KIEUHYKYMFDPTD-NWDGAFQWSA-N 311.351 4.859 30 20 DJED O=C1/C(=C/c2cccs2)COc2c(Cl)ccc(Cl)c21 748583158 CSJYCNBMGDUJFE-SOFGYWHQSA-N 311.189 4.714 30 20 DJED CC(/C=C\C(=O)c1cc([N+](=O)[O-])ccc1F)=C\c1ccccc1 752875127 OKVGVEOYWOCCON-XQALPWGSSA-N 311.312 4.576 30 20 DJED O=C(/C=C/c1ccccc1C(F)(F)F)c1ccc(Cl)nc1 759084244 UKHMHNAHODSBGE-FNORWQNLSA-N 311.690 4.650 30 20 DJED C=CC[C@H](N[C@H](CCC)c1ccc(OC)cc1)c1ccncc1 766023027 ZOKFAZZTGLFFEY-UXHICEINSA-N 310.441 4.838 30 20 DJED C=C(C)[C@H](NC(=O)C=C1CCCCC1)c1ccc(F)c(F)c1 772331914 HXOBBBOOQWXEBS-SFHVURJKSA-N 305.368 4.589 30 20 DJED CC[C@@](C)(NCc1ccccc1C(C)(C)C#N)c1ccccc1 775397942 YWKJGCUBVKYDNU-OAQYLSRUSA-N 306.453 4.903 30 20 DJED COc1ccc(C(=O)/C=C\c2cc(C)c3ncccc3c2)cc1F 783702063 QRFYTWYAZWRFGS-ALCCZGGFSA-N 321.351 4.587 30 20 DJED CC[C@@H](CC#N)OC(=O)c1sc2cc(F)ccc2c1Cl 787099573 OTSKHPXYQDQOOY-VIFPVBQESA-N 311.765 4.543 30 20 DJED CC(/C=C\C(=O)c1cccc(F)c1)=C/c1cccc([N+](=O)[O-])c1 787168086 PCNFJAFPPCIHRW-AGMBNHQJSA-N 311.312 4.576 30 20 DJED FC(F)C1CCC(=NNc2nc3ccccc3[nH]c2=S)CC1 863124800 DONDYLZVEZUQDE-UHFFFAOYSA-N 322.384 4.516 30 20 DJED CCCOc1ccc(/C=C2/CCc3ccccc3C2=O)cc1OC 916135930 YSQXKKACGCDQKC-LGMDPLHJSA-N 322.404 4.697 30 20 DJED Cc1ccc(Oc2cccc(Nc3cncc(C#N)n3)c2)c(C)c1 1163953061 RONQQAOIHARGGD-UHFFFAOYSA-N 316.364 4.501 30 20 DJED C[C@@H](SCc1cn2ccccc2c1C#N)c1ccc(F)cc1 1165602912 LDVPCPXNNGOLRR-CYBMUJFWSA-N 310.397 4.944 30 20 DJED CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)CCO[C@H](C)C#N 1193976944 OBCDWWDRGXTGHI-RDTXWAMCSA-N 322.880 4.678 30 20 DJED CC[C@@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 1264096206 NPBPGBUXOXCFMR-NEPJUHHUSA-N 318.486 4.755 30 20 DJED C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(-c3ccccc3)s2)C1 1322945324 XCXRBZPBEGWSDX-LIRRHRJNSA-N 324.449 4.617 30 20 DJED C[C@@H](c1ccccc1)N(C(=O)c1csc(C#N)c1)C1CCCC1 1325896379 PANUJCNTUWXKJD-AWEZNQCLSA-N 324.449 4.766 30 20 DJED O=C(/C=C/c1ccc(-c2ccccc2)s1)c1cncc(F)c1 1328984012 GGSCLOYABUYQHF-SOFGYWHQSA-N 309.365 4.845 30 20 DJED CC[C@H](C#N)[C@H](OC(=O)c1ccc(SC)o1)c1cccs1 1345148608 VWTNLRIDLHOJNT-YGRLFVJLSA-N 321.423 4.511 30 20 DJED CC(C)(C)C1CCC(OC(=O)[C@H](CC#N)c2ccccc2)CC1 1351926810 YONJWOYWKWRITO-DAWZGUTISA-N 313.441 4.832 30 20 DJED CCCN(C(=O)CC1(C#N)CCCCC1)[C@H]1CCc2ccccc21 1353035338 KWBYCGPLERRFTF-IBGZPJMESA-N 324.468 4.777 30 20 DJED CCC[C@H](CC(C)C)C(=O)N(Cc1ccc(C#N)cc1)C(C)C 1353332959 KXQLHSSREJNGHN-LJQANCHMSA-N 314.473 4.758 30 20 DJED Cc1cccc(Nc2nnc(SCC(C)(C)CC#N)s2)c1 1458777832 AUDNOVIDIMHYIK-UHFFFAOYSA-N 318.471 4.622 30 20 DJED Cc1nsc(N[C@H]2C[C@@H](c3ccccc3)C[C@@H](C)C2)c1C#N 1472804706 JUXDPQTWMOFBRU-UHOFOFEASA-N 311.454 4.708 30 20 DJED N#Cc1nnc2ccccc2c1Sc1ccc2c(c1)CCCC2 1472808862 FKOKYNYNBDFETD-UHFFFAOYSA-N 317.417 4.531 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCSc1ccccc1 1473180762 PFDOMFQHXHXZFZ-UXHICEINSA-N 322.477 4.550 30 20 DJED N#CC1(CC(=O)N2CCCC3(CCCCC3)CC2)CCCCC1 1516329529 ZHSIVFXNKQNPBV-UHFFFAOYSA-N 316.489 4.814 30 20 DJED C[C@@H](OC(=O)[C@]1(C#N)CC12CCCC2)c1ccc2c(c1)CCCC2 1520018994 QCZKEBHOILFCNB-QVKFZJNVSA-N 323.436 4.644 30 20 DJED CCN(C(=O)c1sc2ccc(C#N)cc2c1C)[C@H](C)C(C)C 1528469140 UUCCGTYTAWMWIM-CYBMUJFWSA-N 314.454 4.588 30 20 DJED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(C3CCCCC3)cc2)C1 1535479561 UEDSSIKIGTYKTE-DNVCBOLYSA-N 311.425 4.973 30 20 DJED C[C@@H]1CCCCN1Cc1ccc(Nc2cccc(F)c2C#N)cc1 1559071788 BIZINXAHHOPKFW-OAHLLOKOSA-N 323.415 4.815 30 20 DJED CC(C)(C)[C@H]1CCCC[C@@H]1CNc1snc(Cl)c1C#N 1559089374 KHCWQYUDGJBBGB-PWSUYJOCSA-N 311.882 4.933 30 20 DJED CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(C#N)cc1 1622712193 VQKMHFZPPFXACE-WBVHZDCISA-N 313.445 4.532 30 20 DJED Cc1cc(C#N)ccc1CN1c2ccccc2S[C@@H](C)[C@H]1C 1642123341 MJBOXDBXSXRPLF-CABCVRRESA-N 308.450 4.756 30 20 DJED N#Cc1cc(Cl)ccc1COc1ccccc1Br 1651576063 NBSMAUSVOZHUNO-UHFFFAOYSA-N 322.589 4.553 30 20 DJED C[C@@H]1[C@H](c2ccccc2)CCN1c1nc(C(C)(C)C)ccc1C#N 1651595890 PPUADWNXGWUYCO-CRAIPNDOSA-N 319.452 4.633 30 20 DJED CCOc1cc(C#N)ccc1OC/C=C/c1ccc(Cl)cc1 1652403479 OGEUVIUFNRIJGT-ONEGZZNKSA-N 313.784 4.703 30 20 DJED C[C@H](c1cccc(C#N)c1)N1CCC[C@@](C)(c2ccccc2)C1 1652475916 DBIXVQXGIQTIAO-DYESRHJHSA-N 304.437 4.673 30 20 DJED Cc1ccc([C@H]2CCC[C@@H]2N(C)CCc2ccc(C#N)cc2)cc1 1652576053 YSIIHDHQCLCTMZ-YADHBBJMSA-N 318.464 4.677 30 20 DJED N#CC1(c2ccccc2)CC(N[C@@H](C2CCCCC2)C2CCC2)C1 1652719313 OIELMWOOWDARMY-ORFBVSJDSA-N 322.496 4.949 30 20 DJED C[C@@]1(Cc2ccccc2)CCCN1CCC1(C#N)CCCCC1 1654049913 OGLUXLMWMPSDHX-FQEVSTJZSA-N 310.485 4.948 30 20 DJED Cc1cc(C)c(/C=C\CN[C@H](C)c2cccc(C#N)c2)cc1C 1658597143 WVSCEZHXALCBRH-OTIVFRFGSA-N 304.437 4.848 30 20 DJED CCOc1ccc(C#N)cc1NCc1csc2ccccc12 1662601040 RDUHGBAWBDBPNS-UHFFFAOYSA-N 308.406 4.784 30 20 DJED C=C(CNC(=O)N[C@H]1CCCC[C@H]1C(C)(C)C)c1ccccc1 1682940896 LXTMYRBRADEIRL-MSOLQXFVSA-N 314.473 4.604 30 20 DJED CCCCCCCCCCCN(C)c1ccc(C(=O)O)cn1 1776787742 JDPTYOLLJYVJQU-UHFFFAOYSA-N 306.450 4.747 30 20 DJED C=CCC(CC=C)C(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 150941750 ACRIFCBVHFQYBY-KDOFPFPSSA-N 301.405 4.504 30 20 DJED C#CCCCCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 179780483 ACEOKPHRXUDJJZ-MRXNPFEDSA-N 324.251 4.851 30 20 DJED C=C(C)[C@@H](NCc1csc(CCC)n1)c1ccc(F)c(F)c1 187757633 OXLLHABSTDIJOB-QGZVFWFLSA-N 322.424 4.781 30 20 DJED CC(C)CN(CC(C)C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 193569101 DBHGXCMYPVHHFZ-UHFFFAOYSA-N 315.461 4.634 30 20 DJED Cc1ccc(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 321022257 BOWBKHUCBCHBON-UHFFFAOYSA-N 319.286 4.530 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1cc(F)c2ccccc2c1 410722961 DKNYSJLBLVLHFB-UHFFFAOYSA-N 312.388 4.523 30 20 DJED N#C[C@H]1CC[C@@H](Sc2nc3c(n2-c2ccccc2)CCCC3)C1 430126373 VNSZGVGQMZGPJY-GOEBONIOSA-N 323.465 4.535 30 20 DJED N#C[C@@H]1CC[C@H](N[C@@H](c2ccc(Cl)cc2)c2cccs2)C1 442793682 QORRUUPWSSRIKR-PVUWLOKVSA-N 316.857 4.773 30 20 DJED C[C@H]1CCC[C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 443549153 FRZLXKPMYCTNNI-GOEBONIOSA-N 313.445 4.578 30 20 DJED CC#CCCCC(=O)N(C1CC1)[C@@H](C)c1ccccc1Cl 464560687 ODNDAJZKSAZELR-AWEZNQCLSA-N 303.833 4.586 30 20 DJED CCC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 471619020 MCBWLPQGMDTXEM-KCXAZCMYSA-N 310.363 4.828 30 20 DJED N#CC[C@H](CC(=O)Nc1cccc(Cl)c1F)c1ccccc1 474285855 BNZCXVQMXUXLRR-CYBMUJFWSA-N 316.763 4.505 30 20 DJED C=CCCC1(C(=O)Nc2cnn(CCC(C)C)c2C(C)C)CC1 477124718 WRYDXOZILUAIQM-UHFFFAOYSA-N 317.477 4.738 30 20 DJED C=C(C)[C@@H](NCc1ccc(F)cc1F)c1ccc(F)c(F)c1 479422892 PGASOXIXQXMVFQ-QGZVFWFLSA-N 309.306 4.650 30 20 DJED C=CCOCCCS[C@@H](C)c1ncc(-c2ccccc2)o1 479602428 JKLVWFBYFJUVQA-AWEZNQCLSA-N 303.427 4.729 30 20 DJED CC[C@@H](C)CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 480144248 DLICEEPIUDQOEM-OAHLLOKOSA-N 322.408 4.512 30 20 DJED C=C(C)[C@H](NC(=O)N1CCCC[C@@H]1CC)c1ccc(F)c(F)c1 483286989 AOALHQPLJXIQDT-YOEHRIQHSA-N 322.399 4.556 30 20 DJED C=CCC[C@H](CC)N[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 483668870 LVYOBBQPOLKFRQ-ZFWWWQNUSA-N 317.408 4.580 30 20 DJED C=CCC[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 487586059 DKRRDXHIQGXGRC-QGZVFWFLSA-N 309.409 4.692 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc2ncccc2c1)c1ccccc1 488675486 IXRDNFSTRYMZNA-GOSISDBHSA-N 302.377 4.533 30 20 DJED C[C@H](NC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(C#N)cc1 505331752 AQNNWBTVYWBRBL-AWEZNQCLSA-N 321.424 4.738 30 20 DJED CC(C)c1ccc([C@H](C)CC(=O)N(C)c2ccccc2C#N)cc1 508087802 MGQNBVHJCJHRPR-MRXNPFEDSA-N 320.436 4.838 30 20 DJED C=C(C)CCc1noc(/C=C/c2cnc(C(C)(C)C)s2)n1 508670525 IGGZUDKUWMGEDD-VQHVLOKHSA-N 303.431 4.503 30 20 DJED Cc1nc(CSc2nc(-c3ccccc3)ccc2C#N)cs1 534094455 NZXSPRGXQBNLSK-UHFFFAOYSA-N 323.446 4.678 30 20 DJED C=C[C@H](CC(=O)Nc1ccccc1OCC1CC1)c1ccccc1 535387367 OPFOQNZBPWFJCO-QGZVFWFLSA-N 321.420 4.774 30 20 DJED CC[C@@H](C)[C@H](NCCCSCC#N)c1ccc(Cl)cc1 538196996 AEHTYEWIVYFHRU-CJNGLKHVSA-N 310.894 4.664 30 20 DJED C=CCn1c(SCc2ccc(CC#N)cc2)nc2ccccc21 544053367 WNCVZKUGWBGQSH-UHFFFAOYSA-N 319.433 4.581 30 20 DJED CCCOc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 553304998 DJALICPZJNDGKQ-OAQYLSRUSA-N 320.436 4.514 30 20 DJED COc1ccc([C@@H](C)NCC(C)(C)CCC#N)c2ccccc12 554364181 ZMUJMTRUIHOIKI-OAHLLOKOSA-N 310.441 4.829 30 20 DJED C[C@@H](C1CC1)n1cc(N[C@@H]2CCCCc3cc(C#N)ccc32)cn1 562315748 JCQBLBNZSHLZPW-VBKZILBWSA-N 320.440 4.605 30 20 DJED CC(C)Oc1cccc([C@H](C)N[C@@H]2CCc3ccc(C#N)cc32)c1 576197502 HICMKXHZAYEHBV-YCRPNKLZSA-N 320.436 4.684 30 20 DJED CCCc1ccc([C@@H](NC(=O)CCCCCC#N)C(C)C)cc1 588460112 QLAWIXOOKXHGQQ-FQEVSTJZSA-N 314.473 4.926 30 20 DJED CCC(C#N)(CC)C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 599329059 CKDULOHXZTYYOL-AWEZNQCLSA-N 318.486 4.694 30 20 DJED C=CC[C@H](C)NC(=O)Nc1cccc(OCc2cccc(C)c2)c1 604907560 ZJUTYYVZWYWEQN-INIZCTEOSA-N 324.424 4.660 30 20 DJED N#Cc1cnc(NC(c2ccccc2)c2ccccc2)c(Cl)c1 608884993 ZUPFMLRFRGGMLS-UHFFFAOYSA-N 319.795 4.808 30 20 DJED Cc1ccccc1[C@H](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 609695043 UDFVBIJKKSBLTE-CYBMUJFWSA-N 312.800 4.652 30 20 DJED C[C@@H](NCc1csc(C2CCCC2)n1)c1cccc(C#N)c1 611387095 DXVFISPJUILQGV-CYBMUJFWSA-N 311.454 4.523 30 20 DJED C=C(CNCc1cnc(-c2cccs2)s1)c1ccccc1 674376155 XJPZFHDQVMUXQF-UHFFFAOYSA-N 312.463 4.675 30 20 DJED Cc1ccc(N(CCC#N)C(=O)C[C@@H](C)c2ccccc2F)cc1 726940298 PZEVZMYGDJKKLQ-MRXNPFEDSA-N 324.399 4.575 30 20 DJED C[C@@H](C#N)Oc1ccc(C=NNc2cccc3ccccc23)cc1 727685064 YDWNCKBOXNTQFL-HNNXBMFYSA-N 315.376 4.577 30 20 DJED N#Cc1ccc(Oc2cccc(NC(=O)C=C3CCCC3)c2)cc1 729375480 HORMIUNEEIWQMO-UHFFFAOYSA-N 318.376 4.789 30 20 DJED C#Cc1cccc(N(Cc2cccs2)C(=O)OC(C)(C)C)c1 731149725 IYTPZOAEUHACFC-UHFFFAOYSA-N 313.422 4.671 30 20 DJED C#CCOc1cccc(N[C@@H](CC)c2ccc(F)cc2F)c1 738424592 LODNGNOHBXCKQZ-SFHVURJKSA-N 301.336 4.540 30 20 DJED C#Cc1cccc(N(C)C(=O)C2CCC(c3ccccc3)CC2)c1 742634398 OMSOOKKWBGUWGR-UHFFFAOYSA-N 317.432 4.605 30 20 DJED CCOc1c(Cl)cc(/C=C\C(=O)C2CCCCC2)cc1OC 747003232 FAZFDIUSECODET-KTKRTIGZSA-N 322.832 4.910 30 20 DJED C[C@@H](OC(=O)c1sccc1C#N)c1cccc2ccccc12 748096729 NHMIOWZDXDDWAV-GFCCVEGCSA-N 307.374 4.691 30 20 DJED CCCCCCCC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1 753275629 ZMPMSIZMRUZOKH-PKOBYXMFSA-N 317.473 4.631 30 20 DJED Fc1cccc(F)c1NN=CC1CCC(C(F)(F)F)CC1 767379472 MCAGJFIOKOZCCX-UHFFFAOYSA-N 306.278 4.731 30 20 DJED O=C(/C=C\c1nc2c(s1)CCCC2)c1ccc(Cl)cc1 776262252 FJVAUEGRPVTONZ-KTKRTIGZSA-N 303.814 4.571 30 20 DJED C[C@H]1CC(=NNc2ncncc2Cl)C[C@H](c2ccccc2)C1 780280961 BEXKCIRTFDWOCX-TZMCWYRMSA-N 314.820 4.502 30 20 DJED C[C@H](CC(=O)O[C@@H](C#N)C1CCCCC1)c1c[nH]c2ccccc12 787225861 ORXDXVJKOMINHT-KUHUBIRLSA-N 324.424 4.677 30 20 DJED Cc1ccc2nc(/C=C/C(=O)c3oc4ccccc4c3C)cn2c1 789129842 JFMFPUHUSKMYKT-CMDGGOBGSA-N 316.360 4.593 30 20 DJED Cc1ccc(C(=O)/C=C\c2cnc(-c3ccco3)s2)c(C)c1 789130897 SGRBUMQNSBDZOV-VURMDHGXSA-N 309.390 4.916 30 20 DJED O=C(/C=C/c1ccc(C(F)F)cc1)c1cc(F)ccc1[N+](=O)[O-] 806560356 MHGJPOJSXSQUTD-FPYGCLRLSA-N 321.254 4.568 30 20 DJED Cc1cc(Cl)cc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1O 808680941 QVKGWTXYAWUWOJ-STQMWFEESA-N 314.816 4.638 30 20 DJED CC(=NNc1oc(C(C)(C)C)nc1C#N)c1cccc(C2CC2)c1 814821934 NVUDCEOEOZWUGW-UHFFFAOYSA-N 322.412 4.557 30 20 DJED O=C(/C=C\c1ccc(Cl)s1)c1cccc(OC(F)F)c1 834761451 QOKAHNSYUCCEOV-XQRVVYSFSA-N 314.740 4.899 30 20 DJED CCCCCCCCCCC(=O)N[C@H]1C[C@H](C)n2ccnc21 836952573 BPQPZUYVTGQEBQ-HOTGVXAUSA-N 305.466 4.536 30 20 DJED CCCCCCCCCC(=O)N1CCO[C@@H](c2ccccc2)C1 900945797 PPHRMOHGEXVQRO-LJQANCHMSA-N 317.473 4.727 30 20 DJED C[C@H](/N=C\c1ccccc1O)c1ccc(OCC(F)(F)F)cc1 920387454 PJJHWPAMXBSYDT-INEXWVMZSA-N 323.314 4.513 30 20 DJED CN(Cc1ccc(-c2cccs2)cc1)Cc1cccc(C#N)c1 1231430006 COSSLOADUQZCDB-UHFFFAOYSA-N 318.445 4.919 30 20 DJED CC(C)(C#N)CCCCOC(=O)C1(Sc2ccccc2)CC1 1255928478 VWSYITNLIIONKB-UHFFFAOYSA-N 317.454 4.575 30 20 DJED CC(C)(Cc1ccc(Cl)cc1)C(=O)O[C@@H]1CCC[C@H](C#N)C1 1275463527 JIRGVVUUSRCGMX-GOEBONIOSA-N 319.832 4.534 30 20 DJED CCc1ccc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 1307488919 ZLJZOCJRWQBNDS-LEWJYISDSA-N 304.437 4.521 30 20 DJED Cc1cc(C)cc(C2=CCN(Cc3ccc(C#N)s3)CC2)c1 1307584882 DFLFLDJDQODGKZ-UHFFFAOYSA-N 308.450 4.526 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1C/C=C/c1cccc(F)c1 1308577795 LTTYYEIBHLHNBH-HEPPIXLFSA-N 320.411 4.611 30 20 DJED CCCCCCCc1nnc(-c2ccc(OCC)c(OC)c2)o1 1341475202 PCQSFEOBVATISS-UHFFFAOYSA-N 318.417 4.657 30 20 DJED CC(C)C[C@H](C(=O)O[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 1361169209 ZCFBRJKXGBRZAD-JXFKEZNVSA-N 321.420 4.992 30 20 DJED CC(C)(C)N(Cc1ccc(F)cc1)Cc1ccc(C#N)cc1F 1461983864 VAOCEBFKKMJQHE-UHFFFAOYSA-N 314.379 4.637 30 20 DJED Cc1cc(C#N)ccc1CN1CC[C@@H](C)Sc2ccccc21 1473232579 LQLRINKNAAARLX-OAHLLOKOSA-N 308.450 4.758 30 20 DJED CC[C@@H](C)[C@@H](CNc1ccc(Oc2ccccc2)c(C#N)c1)OC 1474464310 MJZSLAFEUUWXKD-FOIQADDNSA-N 324.424 4.824 30 20 DJED CCc1c(C(=O)O[C@@H](C)c2cccc(C#N)c2)oc2ccccc12 1544187707 MCWNQNOYGPCRBG-ZDUSSCGKSA-N 319.360 4.785 30 20 DJED Cc1ccc2c(c1F)N(Cc1ccc(Cl)cc1C#N)CCC2 1559892496 PHKMSXANIBHAAM-UHFFFAOYSA-N 314.791 4.612 30 20 DJED CC[C@H](OC(=O)c1ccc(Cl)c(C#N)c1)c1ccc(C)cc1 1584308050 CYVPXXAPUYTEEO-KRWDZBQOSA-N 313.784 4.828 30 20 DJED Cc1cccc(C)c1[C@H]1CCCN1C(=O)CC1(C#N)CCCCC1 1586022684 UBQRYKAMRPNXMI-GOSISDBHSA-N 324.468 4.831 30 20 DJED CC(C)Cc1ccc([C@@H](Nc2ncccc2C#N)C(C)C)cc1 1639204680 OVUQIHRZSZIPBW-IBGZPJMESA-N 307.441 4.961 30 20 DJED Cc1ccc(C)c(COc2c(C#N)cnc3ccc(C)cc23)c1 1652856532 YBTKWEOQYPXSNI-UHFFFAOYSA-N 302.377 4.611 30 20 DJED CCCc1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)cc1 1653247465 CWGDIGVAQVGSAP-UHFFFAOYSA-N 306.453 4.921 30 20 DJED C[C@H](Sc1ncc(-c2ccccc2)[nH]1)c1cccc(C#N)c1 1656215373 LHVSKLBIQWQMDA-ZDUSSCGKSA-N 305.406 4.802 30 20 DJED CCOc1cccc(Cl)c1CSc1cccc(C#N)c1 1656327536 QXVZCLVCKMXOSE-UHFFFAOYSA-N 303.814 4.903 30 20 DJED N#Cc1cccc(CNC(C2CCCCC2)C2CCCCC2)n1 1659901665 BWDWXXXXEPUYAU-UHFFFAOYSA-N 311.473 4.572 30 20 DJED O=C(/C=C/c1cccc(C(=O)O)c1F)c1ccc2ccccc2c1 1776130983 CQBGRYPSINEHTF-ZHACJKMWSA-N 320.319 4.573 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1 29152687 CZKWQMBBGXVKQV-UHFFFAOYSA-N 318.420 4.619 30 20 DJED C=CCN(Cc1cccs1)C(=O)C[C@H](C)c1ccc(F)cc1 57424916 DTEVLKNXRAXPAK-AWEZNQCLSA-N 317.429 4.596 30 20 DJED O=C(/C=C\c1csc(-c2ccsc2)n1)c1cccc(F)c1 141334176 VJZJRUYVSXJKCM-PLNGDYQASA-N 315.394 4.907 30 20 DJED C[C@H](NCc1ccc(Cl)cc1Cl)c1cccc(C#N)c1 174430964 IYQXOQMAPUKRCR-NSHDSACASA-N 305.208 4.716 30 20 DJED CC(C)(C)Oc1c(F)cc(N[C@H]2CCC[C@H](C#N)C2)cc1F 185896274 SPNUOSQKCSOAEQ-RYUDHWBXSA-N 308.372 4.636 30 20 DJED CC(C)(C)CC(C)(C)Nc1ccc(C#N)c(Br)c1 228183669 JUMZRSNAGCOGRM-UHFFFAOYSA-N 309.251 4.947 30 20 DJED C[C@H](Nc1cccc(F)c1C#N)c1ccc(-c2ccncc2)cc1 301431569 JXXHBIGHAKRNNO-AWEZNQCLSA-N 317.367 4.932 30 20 DJED C[C@H](COc1ccc(Br)cc1C#N)C1CCCCC1 312065228 FDBDTTMLIDCSSF-GFCCVEGCSA-N 322.246 4.916 30 20 DJED N#CCc1cccc(NCc2csc(-c3ccc(F)cc3)n2)c1 313440423 SKJZPHWOXXEJTB-UHFFFAOYSA-N 323.396 4.627 30 20 DJED C[C@H]1CC[C@H](CC(O)=Nc2csc(-c3ccccn3)n2)C1 329671668 UDIPWGQDESEVJI-RYUDHWBXSA-N 301.415 4.619 30 20 DJED CC(C)(C)c1cnc(N=C(O)c2scnc2C(C)(C)C)s1 330992951 BIXRQQLMQJBLDW-UHFFFAOYSA-N 323.487 4.831 30 20 DJED CC(C)Sc1ccccc1NC(=O)NCC(C)(C)CCC#N 349779045 AEIUTSBVTHZBPX-UHFFFAOYSA-N 319.474 4.639 30 20 DJED CC(C)(C#N)CCCCSc1nnc(Cc2cccs2)o1 436199512 SCMFNWCFOFJTNY-UHFFFAOYSA-N 321.471 4.534 30 20 DJED C[C@@]1(c2ccccc2)CC[C@H](N(CCC#N)Cc2ccco2)C1 437595513 YYGYXGJVIYKVHC-AZUAARDMSA-N 308.425 4.506 30 20 DJED C[C@@H](c1cccc(C#N)c1)c1nc(-c2cc3ccccc3o2)no1 461790030 GHKZDAGSDQVGAV-LBPRGKRZSA-N 315.332 4.506 30 20 DJED CC#CCCCC(=O)Nc1cccc(COC2CCCCC2)c1 464653261 OFFXLCKXEGAIJJ-UHFFFAOYSA-N 313.441 4.668 30 20 DJED CC(C)c1nc(CSCc2cc(F)ccc2C#N)cs1 469251845 OYMCOBITHHLUBX-UHFFFAOYSA-N 306.431 4.711 30 20 DJED Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)Nc1cccc(C#N)c1 474325266 AULMAVFFSPTGGS-HNNXBMFYSA-N 321.424 4.575 30 20 DJED CCCCCOc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1 480786533 PDZWOZWSTKUNSI-KRWDZBQOSA-N 322.452 4.978 30 20 DJED Cc1cccc(C2(NCc3ccc(C#N)c(F)c3)CCCC2)c1 484095130 QTGDMSQXNBWXSE-UHFFFAOYSA-N 308.400 4.565 30 20 DJED C=CCC[C@H](C(=O)N[C@H]1CCCc2occc21)c1ccccc1 488353001 IZBFTMNXWZEIFR-WMZOPIPTSA-N 309.409 4.523 30 20 DJED C=CCCC(=O)Nc1cc(-c2ccsc2)nn1-c1ccccc1 500167668 YLMSUHYXCHPODG-UHFFFAOYSA-N 323.421 4.506 30 20 DJED Cc1cccc(NC(=O)Nc2cc(C#N)ccc2OC(C)C)c1C 502619697 FGHBZWAEZUZXMC-UHFFFAOYSA-N 323.396 4.606 30 20 DJED C=CCN(Cc1ncc(CSC)s1)CC1CCCCC1 508554376 URAFAICTHXMMQA-UHFFFAOYSA-N 310.532 4.574 30 20 DJED Cc1cc(C)cc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c1 519485177 IMKRUMQYQWCDIX-LJQANCHMSA-N 320.436 4.596 30 20 DJED C[C@@H]1C[C@@H]1c1noc(-c2cccc(Oc3ccc(C#N)cc3)c2)n1 547187840 WCLCPDILUSMHRY-PXAZEXFGSA-N 317.348 4.524 30 20 DJED CCCN(Cc1ccc(C#N)cc1)[C@H](C)c1ccc(F)c(F)c1 553836233 JXFMOKQHPPQFEV-CQSZACIVSA-N 314.379 4.810 30 20 DJED N#Cc1ccc2c(c1)[C@H](NCc1cccc(Cl)c1Cl)CC2 554986984 DAIFMZSYIUFGHY-MRXNPFEDSA-N 317.219 4.642 30 20 DJED C[C@@H](NCc1cccc(C#N)c1)c1ccc(F)c2ccccc12 564740232 CRNYHGTXOCKLJI-CQSZACIVSA-N 304.368 4.701 30 20 DJED COc1ccc(C)cc1[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 565546527 YDLAPNJLFBLGMQ-FOIQADDNSA-N 320.436 4.604 30 20 DJED Cc1ccccc1[C@H](C)CC(=O)N(CCC#N)c1ccc(F)cc1 578258777 DTOVPFOYRVOQSV-MRXNPFEDSA-N 324.399 4.575 30 20 DJED N#CCCCCCC(=O)Nc1cccc(Nc2ccccc2)c1 589837200 MVURDWGEIBHDFK-UHFFFAOYSA-N 307.397 4.843 30 20 DJED CC[C@@H](C#N)C(=O)Nc1ccccc1Oc1c(C)cccc1C 593421367 ZTPLDWNFQHUBKM-HNNXBMFYSA-N 308.381 4.584 30 20 DJED Cc1cc(CNc2cc(F)cc(C#N)c2)c(OC(F)F)cc1C 600861112 LAMDPSFMRYEFQB-UHFFFAOYSA-N 320.314 4.528 30 20 DJED C=CCNC(=O)Nc1ccc(NCc2ccc(CCC)cc2)cc1 604068381 NZIXXESSXREQHI-UHFFFAOYSA-N 323.440 4.559 30 20 DJED CC(C)c1ccc([C@@H](C)CC(=O)N(C)c2cccc(C#N)c2)cc1 609968832 KRMDNSSDVOHVES-INIZCTEOSA-N 320.436 4.838 30 20 DJED C#Cc1cccc(NC(=S)N(Cc2ccccc2)[C@@H](C)CC)c1 726445947 RVGJVHDMPYBUTL-INIZCTEOSA-N 322.477 4.665 30 20 DJED C#Cc1cccc(N(C(=O)c2cc(C)c(CC)s2)C(C)C)c1 728247686 FXAOAGWDWBYOMX-UHFFFAOYSA-N 311.450 4.655 30 20 DJED CCCCCC[C@@H](CC)C(=O)Nc1cc(C#N)ccc1OC 735008135 SLERKLFFOBEWAY-OAHLLOKOSA-N 302.418 4.502 30 20 DJED CCC(=NNc1ccc2ccccc2n1)c1cc(F)ccc1F 743421052 NFKJXSHUFJPYSG-UHFFFAOYSA-N 311.335 4.739 30 20 DJED C[C@@H](OC(=O)/C=C/c1ccc(Cl)s1)c1ccc(C#N)cc1 748680233 AQNIZISWCZVYOD-MXMFLMJRSA-N 317.797 4.591 30 20 DJED C[C@H](NCc1ccc(F)c(C#N)c1)c1csc2ccccc12 754735700 JSEQFFPKLDWGOZ-LBPRGKRZSA-N 310.397 4.763 30 20 DJED CCc1nc2ccccc2n1N=Cc1ccc(C(F)(F)F)s1 761785340 GTUXAAPLUZAHDF-UHFFFAOYSA-N 323.343 4.561 30 20 DJED Cc1c(C(=O)/C=C/c2cscc2Cl)cccc1[N+](=O)[O-] 771862513 YZQNCCTVYWTMDT-AATRIKPKSA-N 307.758 4.514 30 20 DJED O=C(/C=C\c1cccc(-c2ccccn2)c1)c1cccc(F)c1F 776267999 JCWLYQBDCMDQES-KHPPLWFESA-N 321.326 4.923 30 20 DJED C#CCCCCCC(=O)N(C)Cc1ccc(Cl)cc1Cl 779738141 SWXZBWLAGRDKRZ-UHFFFAOYSA-N 312.240 4.536 30 20 DJED Cc1c(C(=O)/C=C/c2sccc2Cl)cnn1C(C)(C)C 782353320 AHXILFSIDJJHMP-AATRIKPKSA-N 308.834 4.558 30 20 DJED C[C@H](C#N)Oc1ccccc1NCCCc1ccccc1Cl 783883326 KJBIAEWQFHQICC-CQSZACIVSA-N 314.816 4.676 30 20 DJED CCSCC(=NNc1cccc2cnccc12)c1ccccc1 807970394 ILKBOQAXFKYLKL-UHFFFAOYSA-N 321.449 4.804 30 20 DJED CCOC1CCC(=NOCc2ccc(C(F)(F)F)cc2)CC1 853322915 IKXPWVCLMYLWKS-UHFFFAOYSA-N 315.335 4.557 30 20 DJED Cc1ccc(OC(F)F)c(CNc2ccc(C#N)cc2Cl)c1 864008661 CHYREJKEMWPFLX-UHFFFAOYSA-N 322.742 4.734 30 20 DJED C=CCOc1ccc(CNc2ccc3occc3c2)cc1OC 864017882 HSNWXTYVKWXXRK-UHFFFAOYSA-N 309.365 4.618 30 20 DJED C=CC(C)(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N 878786871 PIWJRPKKARGMPM-ZDUSSCGKSA-N 302.443 4.622 30 20 DJED N#CC1(CCCCN2C(=O)c3cccc4cccc2c34)CCC1 902682071 OMWAUQXRXZFDPB-UHFFFAOYSA-N 304.393 4.664 30 20 DJED C=C[C@H](Cc1nc(Cc2ccccc2Cl)no1)c1ccccc1 904370221 QNBLSMQECTUMQF-CQSZACIVSA-N 324.811 4.826 30 20 DJED Fc1ccc(F)c(CON=Cc2ccccc2C(F)(F)F)c1 917394529 AVSXZDYMXHFNBQ-UHFFFAOYSA-N 315.241 4.534 30 20 DJED C[C@@H]1CN(c2cccc(F)c2C#N)CCc2ccc(Cl)cc21 1186913643 GWWSUVMTPUOWTH-GFCCVEGCSA-N 314.791 4.517 30 20 DJED Cc1ccc2c(c1)CN(C(=O)CC1(C#N)CCCCC1)C(C)(C)C2 1273927958 QXNVHDRMBVCSPZ-UHFFFAOYSA-N 324.468 4.523 30 20 DJED Cc1cccc2nc(Oc3ccc(C#N)cc3Cl)sc12 1306918203 NRUQUOWBMBHBCL-UHFFFAOYSA-N 300.770 4.922 30 20 DJED C[C@@H](Sc1nc2c(cc1C#N)CCCC2)c1ccc(F)cc1 1307285033 PLIZULRPTIECGO-GFCCVEGCSA-N 312.413 4.824 30 20 DJED CCCOc1ccc(CNc2cc(C#N)ccc2OC(C)C)cc1 1308428657 JQWZWMKJEKRBPY-UHFFFAOYSA-N 324.424 4.746 30 20 DJED C=C(C)CN(CC)C(=O)c1nc(-c2ccccc2)oc1C(C)C 1318010290 WSQSDNXMIWZMKP-UHFFFAOYSA-N 312.413 4.503 30 20 DJED O=C1/C(=C\c2ncc(-c3ccccc3)[nH]2)Cc2ccc(Cl)cc21 1320866590 ZYCYQJYZNVLOPT-ZROIWOOFSA-N 320.779 4.553 30 20 DJED C[C@H](CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 1349706705 MJHFWDLCNWGTGC-CYBMUJFWSA-N 312.800 4.734 30 20 DJED C[C@H](CCC1CCCCC1)NC(=O)c1ccc(Cl)c(C#N)c1 1456333853 LDGBTGFZKSZDBY-CYBMUJFWSA-N 318.848 4.690 30 20 DJED Cc1nc(N2CC3(CCCCC3)[C@H]2C(C)C)c(Cl)cc1C#N 1472801943 IXFDWVSGKRZFSF-MRXNPFEDSA-N 317.864 4.710 30 20 DJED CC[C@H](Sc1cccc(C#N)c1)C(=O)c1ccc(Cl)cc1 1472996494 CEIPRRLADGOURV-INIZCTEOSA-N 315.825 4.965 30 20 DJED C[C@H]1CCC[C@H](Nc2nccc(Oc3cccc(C#N)c3)n2)CC1 1559168469 RWZAQPYKBLCARC-HOCLYGCPSA-N 322.412 4.521 30 20 DJED CC[C@@H](C)c1ccc([C@H](NCc2cc(C#N)ccn2)C(C)C)cc1 1559630022 CGGXYVKJZDKKCP-IIBYNOLFSA-N 321.468 4.954 30 20 DJED CCCCc1ccc(N(C)C(=O)Nc2sccc2C#N)cc1 1563024947 XIMGWMLFCNQNMX-UHFFFAOYSA-N 313.426 4.631 30 20 DJED N#CC1CCC(CNc2nc3c(F)cc(Cl)cc3s2)CC1 1612297550 CCPOIPVGJVJLRH-UHFFFAOYSA-N 323.824 4.831 30 20 DJED Cc1cccc(CCCN(Cc2ccc(C#N)cc2)CC(C)C)c1 1615319814 WJJCBTHBBVJMPC-UHFFFAOYSA-N 320.480 4.958 30 20 DJED CCCN(CCC(C)(C)C#N)[C@@H]1C[C@H](OCC)C12CCCCC2 1615712912 FOAQYCMNUSCLNF-MSOLQXFVSA-N 320.521 4.766 30 20 DJED CCCN(CCOc1ccccc1C#N)[C@@H](CC)c1ccccc1 1641607065 SIAWMXZQUVYTCH-FQEVSTJZSA-N 322.452 4.800 30 20 DJED N#Cc1c(F)cccc1CN[C@H]1CCC[C@H](c2ccccc2)C1 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1650880787 GBGSTOPYRWJFKJ-VXGBXAGGSA-N 319.330 4.576 30 20 DJED C[C@]1(c2ccccc2)CCCN([C@@H](C#N)c2ccccc2)CC1 1654425048 JWEFHBDOCIFMQZ-SFTDATJTSA-N 304.437 4.695 30 20 DJED CCCCC1CCC(NC(=O)Nc2ccc(F)cc2C#N)CC1 1675090745 PUWWIHAREWMCLZ-UHFFFAOYSA-N 317.408 4.568 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCC[C@@H](C)C1 155096030 IHCCQXARWUQPSG-ILXRZTDVSA-N 316.470 4.846 30 20 DJED C=CCCCC(=O)Nc1ccccc1COCc1ccccc1 267190622 PCWXRTNUAKQZBY-UHFFFAOYSA-N 309.409 4.698 30 20 DJED C[C@H](NCc1ccc(C(C)(F)F)cc1)c1ccc(C#N)cc1 293030645 AAZYYMUVWAOTQL-ZDUSSCGKSA-N 300.352 4.521 30 20 DJED N=C(O)[C@@H]1CCC[C@H](/C(O)=N/[C@H]2CCCCC23CCCC3)C1 329603598 GKKVTBYDRVZIHH-ILXRZTDVSA-N 306.450 4.788 30 20 DJED CC[C@H](Cc1ccc(Cl)cc1Cl)NCC1(CC#N)CC1 430747549 XVQFTBAMXRWNRJ-CQSZACIVSA-N 311.256 4.598 30 20 DJED C=CCCC[C@H](C)NC(=O)N1CC2(CCC2)[C@H]1c1ccccc1 432369561 WNEXCKVEAMQDRC-FUHWJXTLSA-N 312.457 4.668 30 20 DJED C=CCN(CC=C)C(=O)CCCc1cc(Cl)sc1Cl 445509825 BWIKARXAJGMWEP-UHFFFAOYSA-N 318.269 4.578 30 20 DJED N#CCCCC(=O)N[C@H](c1cccc(Cl)c1)C1CCCCC1 462226543 ABFMCDAOOFQANK-SFHVURJKSA-N 318.848 4.771 30 20 DJED C[C@H](Nc1ccc(Oc2ccccc2)c(C#N)c1)[C@H]1CCCOC1 474922137 GDCHTHCUGNILRP-HOTGVXAUSA-N 322.408 4.578 30 20 DJED Cc1cc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)cc(C)c1F 486336193 DVGOJURZQBFDGP-UHFFFAOYSA-N 324.399 4.617 30 20 DJED N#Cc1ccc(N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1 507029965 MJVAJSBUVTVLFP-GDBMZVCRSA-N 302.299 4.545 30 20 DJED C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2cccc(C#N)c2)C1 513548186 IPJMORCTNATWDU-KXBFYZLASA-N 319.408 4.563 30 20 DJED CC(C)Oc1ccc2ccccc2c1CNc1cc(C#N)ccn1 521988448 KCJKGKKVBVEZMV-UHFFFAOYSA-N 317.392 4.506 30 20 DJED N#CC1(c2nc(-c3ccc(-c4ccccc4)cc3)no2)CCCC1 531117885 QEWQPSBKYJOIFI-UHFFFAOYSA-N 315.376 4.739 30 20 DJED CC1(C)CCC[C@H](C(=O)Nc2cccc(OCCCC#N)c2)C1 534388701 HBOXPLHGUFQAFV-HNNXBMFYSA-N 314.429 4.524 30 20 DJED C[C@H](Nc1ccc(-n2cccn2)c(Cl)c1)c1cccc(C#N)c1 537532752 BUSAHDSFZUYVOW-ZDUSSCGKSA-N 322.799 4.570 30 20 DJED Cc1ccccc1C(C)(C)NCc1ccccc1C(C)(C)C#N 550263075 VYZPZAQQLDKBOF-UHFFFAOYSA-N 306.453 4.821 30 20 DJED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cccc(Cl)c1 552970671 ZBYQXZPGVTWEMF-ORAYPTAESA-N 310.828 4.940 30 20 DJED C=CCC(C)(C)c1noc([C@H]2C[C@H]2c2cc(F)c(F)c(F)c2)n1 556363861 OXSHMJUKYIWOPV-QWRGUYRKSA-N 322.330 4.612 30 20 DJED CC(C)n1ncc2ccc(N[C@H]3CCc4ccc(C#N)cc43)cc21 577905929 SOGXQYLHIVVCQR-IBGZPJMESA-N 316.408 4.588 30 20 DJED CC(/C=C/c1ccncc1C#N)=C\c1ccccc1OC(F)F 582035355 YUXXAHJROISDOW-FCXQYMQBSA-N 312.319 4.671 30 20 DJED COc1cc(Cl)ccc1[C@@H](C)N[C@H](C)c1cccc(C#N)c1 591531521 CSQCMLIURYASDB-CHWSQXEVSA-N 314.816 4.632 30 20 DJED CC(C)(CCC#N)CNc1ccc2nc(C(F)(F)F)oc2c1 592375873 MOKBJBDNCZVJCN-UHFFFAOYSA-N 311.307 4.588 30 20 DJED Cc1cccc2[nH]c(CN(C)[C@@H](C)c3cccc(C#N)c3)cc12 597156893 CMGPSQXEYVLFDT-HNNXBMFYSA-N 303.409 4.541 30 20 DJED CC[C@@H](c1ccccc1)N(C(=O)c1cc(C#N)cs1)C(C)C 598885356 JDJPUQCRRRPDLB-INIZCTEOSA-N 312.438 4.622 30 20 DJED C=CCCCCCN(C)C(=O)Nc1cc(C)c(Cl)cc1OC 606934384 DUKYJPMLBBTIKQ-UHFFFAOYSA-N 324.852 4.867 30 20 DJED C[C@H](CCCC(F)(F)F)Nc1nc(C(C)(C)C)ccc1C#N 617221221 IBISRBOPCBETQH-LLVKDONJSA-N 313.367 4.784 30 20 DJED CCC(=NNc1cnc2ccccc2n1)c1cccc(Cl)c1 727256571 QEMFVMNQNCCOHN-UHFFFAOYSA-N 310.788 4.509 30 20 DJED C=CC[C@H](NC(=O)N[C@H](CCC)c1ccccc1)c1ccncc1 734653804 KNBAXMBJDVVMTK-MOPGFXCFSA-N 323.440 4.539 30 20 DJED O=C(/C=C/c1cnc2ccc(Cl)cn12)c1ccc(Cl)s1 737444900 VJRFZDAXWLRBPC-NSCUHMNNSA-N 323.204 4.599 30 20 DJED C[C@@H]1Sc2sccc2C(=O)/C1=C/c1ccc(O)c(Cl)c1 742437360 TZKZJHODQFWGEU-KIFNTFBYSA-N 322.838 4.868 30 20 DJED C#Cc1cccc(NC(=O)N2CCC[C@@H]2c2cccc(C)c2C)c1 743083705 BBWWJFGIQXXLNY-HXUWFJFHSA-N 318.420 4.654 30 20 DJED N#Cc1csc(/C=C2/CSc3c(Cl)cccc3C2=O)c1 748440575 NVPUNJQNOOVJKM-YHYXMXQVSA-N 317.822 4.645 30 20 DJED CCSc1ccc(C(=O)/C=C/c2ccc(O)c(F)c2)cc1 755606311 FAAXGYZPDVPFDN-YCRREMRBSA-N 302.370 4.539 30 20 DJED Cc1cc(C)c(NN=Cc2c(C3CC3)nc3sccn23)c(C)c1 755748981 FSFNAGMKMBHXSM-UHFFFAOYSA-N 324.453 4.644 30 20 DJED O=C(/C=C\c1nc(Cl)cs1)c1ccc(Cl)cc1Cl 759074412 VYMOIFUMYPGCBO-ARJAWSKDSA-N 318.612 4.999 30 20 DJED CCCCCCC[C@H](C)N[C@H](C)c1ccc([S@](C)=O)cc1 768513243 HBCGVGPSKMRYRP-MRUHUIDDSA-N 309.519 4.824 30 20 DJED N#Cc1cccc(C(=O)/C=C/c2ccc(F)cc2C(F)(F)F)c1 771859554 QJBDNTQCLYVSCA-FNORWQNLSA-N 319.257 4.612 30 20 DJED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1cc2ccccc2[nH]1 775627030 FKQAPDPDAFOXQM-YJBOKZPZSA-N 303.409 4.864 30 20 DJED O=C1/C(=C/c2cnc(C3CCC3)s2)CCc2ccc(F)cc21 776193033 ODIUJABYAHFEST-MDWZMJQESA-N 313.397 4.762 30 20 DJED Clc1ccc(NN=Cc2cnc(-c3ccco3)s2)cc1 782097140 GTHHGGAENZQBNZ-UHFFFAOYSA-N 303.774 4.503 30 20 DJED O=C(/C=C\c1cscc1C(F)(F)F)c1ccc(F)cc1 811685397 QPZAKYXGJQNNEG-UTCJRWHESA-N 300.276 4.802 30 20 DJED Fc1ccc(-c2ccc(C=Nn3cnc4ccccc43)s2)cc1 839409214 QFOHQJFIVOCKRC-UHFFFAOYSA-N 321.380 4.786 30 20 DJED CC[C@H](C#N)Oc1cccc(CNCc2ccccc2C(C)C)c1 848536071 KBLWJXGWKOGJON-LJQANCHMSA-N 322.452 4.781 30 20 DJED O=C(/C=C\c1ccccc1OC(F)F)c1c[nH]c2ccccc12 915271485 XKXKDBWNCBZFII-KTKRTIGZSA-N 313.303 4.665 30 20 DJED CCCOc1c(/C=C\C(=O)c2ccccc2)cccc1OCC 916134556 YITFHNMDUWULDP-YPKPFQOOSA-N 310.393 4.770 30 20 DJED COCCOc1cccc(/C=C/C(=O)c2cc(C)c(C)cc2C)c1 917142788 PQKVIRNTLBPVQG-CMDGGOBGSA-N 324.420 4.533 30 20 DJED CCCCCCCC(=O)OCc1coc(-c2ccccc2)n1 919222229 QAOAZYZYCSZJCF-UHFFFAOYSA-N 301.386 4.745 30 20 DJED Cc1ccnc(NC[C@@H](c2ccc(Cl)cc2)C(C)C)c1C#N 1163243097 WYQAEBFZKSGZKM-QGZVFWFLSA-N 313.832 4.767 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1cc(Cl)ccc1F 1167248375 OYSFVGLQNNKXTG-UHFFFAOYSA-N 316.807 4.761 30 20 DJED C=C(Br)CN1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 1193574638 IBGQITIHVBXSAM-BRWVUGGUSA-N 320.274 4.553 30 20 DJED Cc1cc(CN(Cc2cccc(F)c2)C2CCCC2)ccc1C#N 1204430014 FYPJQIJHEQWLED-UHFFFAOYSA-N 322.427 4.951 30 20 DJED C=CC[C@@H](C)NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 1318540536 XUCJBYLAOCRTFM-LLVKDONJSA-N 320.776 4.562 30 20 DJED N#Cc1ccc(-c2nnc([C@H]3CCC[C@@H]3c3ccccc3)o2)cc1 1329220943 AKUJEVAEOGAWMT-MSOLQXFVSA-N 315.376 4.660 30 20 DJED CCC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 1359910390 MVQBGWOSGBPEDP-MAUKXSAKSA-N 312.457 4.576 30 20 DJED Cc1ccccc1[C@H]1C[C@H](C)N(Cc2ccc(Cl)cc2C#N)C1 1459532774 VORXOSVBDNXLQT-YJBOKZPZSA-N 324.855 4.898 30 20 DJED Cc1ccc([C@@H](CC(F)(F)F)NCc2ccc(C#N)s2)cc1 1473353815 GVVKVQKSMKXTLX-OAHLLOKOSA-N 324.371 4.712 30 20 DJED CCCC[C@H]1CCC[C@@H]1NCc1cc(Cl)ccc1OCC#N 1473356379 XGDQSPDNXHLZSV-YOEHRIQHSA-N 320.864 4.691 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C[C@@H]1C[C@@H]1c1ccccc1 1474319465 KUOBRIKBSDRRCI-LEWJYISDSA-N 304.437 4.572 30 20 DJED CC(C)(C)[C@@H]1CN(C(=O)Nc2cccc(C#N)c2)c2ccccc21 1475918654 ZNTUZBMFMILLDC-QGZVFWFLSA-N 319.408 4.740 30 20 DJED C[C@H](OC(=O)[C@H]1CC[C@H](C2CCC2)CC1)c1cccc(C#N)c1 1525564874 XNICCEYJLBGUBJ-WBAXXEDZSA-N 311.425 4.769 30 20 DJED CCCC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 1562110413 MCKSXWCDTLXVFP-LRDDRELGSA-N 319.836 4.692 30 20 DJED C=C(CNC(=O)c1oc2c(C)ccc(C)c2c1C)c1ccccc1 1596357158 IRZXFXOYKAPPNZ-UHFFFAOYSA-N 319.404 4.801 30 20 DJED CCCc1ccc(-c2ccc(NC(=O)N[C@@H](C)CC#N)cc2)cc1 1623123474 FPXHMSPFZMUROQ-HNNXBMFYSA-N 321.424 4.730 30 20 DJED Cc1cccc(CSc2c(Br)cccc2C#N)c1 1651848406 LSNRNVTUIKMGMF-UHFFFAOYSA-N 318.239 4.922 30 20 DJED N#C[C@H](Cc1ccccc1)Sc1nc2ccc(F)cc2s1 1653077284 OUNLSLWHKLUUMY-ZDUSSCGKSA-N 314.410 4.662 30 20 DJED N#CC1(CCN[C@@H](c2ccccc2)C(F)(F)F)CCCCC1 1657654322 XTIGIJRZBBOSTA-HNNXBMFYSA-N 310.363 4.744 30 20 DJED N#Cc1ccccc1OCCN(c1ccc(F)cc1)C1CCCC1 1657682630 NMPJLOVQSVKUBA-UHFFFAOYSA-N 324.399 4.525 30 20 DJED N#CC1(CCN2CCc3c2cccc3C(F)(F)F)CCCCC1 1658197869 BFIDSHGAYLZTJE-UHFFFAOYSA-N 322.374 4.932 30 20 DJED CCC[C@@H](CNCc1ccc(C#N)c(Cl)c1)c1ccccc1 1662304816 YQIVKDOWAZHFER-SFHVURJKSA-N 312.844 4.885 30 20 DJED CCCCC(=NNc1ccc(C(=O)O)c(F)c1)c1ccccc1 1776073144 GEKYRZZZIOXLAS-UHFFFAOYSA-N 314.360 4.530 30 20 DJED O=C(/C=C\c1ccc(O)cc1)c1ccc(-c2ccccc2)cc1 35301480 NAAXOJMQLXMBRE-NVNXTCNLSA-N 300.357 4.955 30 20 DJED COc1cc(/C=C2\CCc3ccccc3C2=O)ccc1SC 63866754 DLVAKBBPMQHWBV-RVDMUPIBSA-N 310.418 4.630 30 20 DJED CCCC(C)(C)NC(=O)Nc1ccccc1SC[C@@H](C)C#N 116500263 JBTPPMHQVAGVHX-ZDUSSCGKSA-N 319.474 4.639 30 20 DJED O=C(/C=C/c1cncs1)c1ccc(OCc2ccccc2)cc1 129926713 JKZSWYGBXLBKQZ-ZHACJKMWSA-N 321.401 4.618 30 20 DJED CCCCCCC[S@@](=O)Cc1cccc(OC(F)F)c1 133285173 RJTJIHLVSGFSTL-FQEVSTJZSA-N 304.402 4.507 30 20 DJED C[C@@H](Nc1cccc(OCCCC#N)c1)c1cccc(F)c1F 179819753 YQSRIAKHAOTVLO-CYBMUJFWSA-N 316.351 4.820 30 20 DJED C=CCC(CC=C)C(=O)Nc1cccnc1-c1ccc(C)s1 187071578 RJBVXDFVHDZLCO-UHFFFAOYSA-N 312.438 4.825 30 20 DJED C=C(C)[C@H](NCc1csc(CCC)n1)c1ccc(F)c(F)c1 187757649 OXLLHABSTDIJOB-KRWDZBQOSA-N 322.424 4.781 30 20 DJED C=CC[C@H](C(=O)Nc1cc(Cl)ccc1OC)c1ccccc1 189386953 DJHODKWZBTWEPD-HNNXBMFYSA-N 315.800 4.647 30 20 DJED O=C(/C=C/c1cc(F)c(F)c(F)c1)c1ccc(Cl)s1 216746403 OGVRQQQXCUMFIT-OWOJBTEDSA-N 302.704 4.715 30 20 DJED CC[C@H]1CCC[C@@H](Nc2ccc(C#N)c(Br)c2)C1 228189245 PPDHZMXIEUKKJK-WCQYABFASA-N 307.235 4.701 30 20 DJED N#Cc1cccc(Cl)c1N1CCC(OC2CCCCC2)CC1 301410292 OQSBNJGAWYQDTF-UHFFFAOYSA-N 318.848 4.530 30 20 DJED Cc1ccc([C@@H]2CCCN2c2nc3c(cc2C#N)CCCC3)s1 301907211 ZQWZLXUJLLEMKO-KRWDZBQOSA-N 323.465 4.544 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCCc2occc21 360836083 MFRUBVFRQFEIAA-OALUTQOASA-N 306.409 4.586 30 20 DJED N#C[C@H]1CC[C@@H](N[C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 424325470 KZHMCLHLMJVROS-LBRJOISOSA-N 322.374 4.623 30 20 DJED C[C@H](NCC1(CC#N)CC1)c1ccc(Oc2ccccc2)c(F)c1 430723796 KTOVSQZTCOXEOJ-HNNXBMFYSA-N 324.399 4.962 30 20 DJED CC(C)c1cccc(C(C)C)c1NC(=O)NCC(C)(C)CC#N 459226324 DQDUQUKIDZEQJR-UHFFFAOYSA-N 315.461 4.995 30 20 DJED CC(C)C[C@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)c1ccccc1 461740044 ISYSDGJHIZZKKD-JXFKEZNVSA-N 320.436 4.565 30 20 DJED C=C[C@@H](C)NC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1 464756807 KMDVTAQDHUTHJA-HZPDHXFCSA-N 308.425 4.631 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCC1CCCCC1 464940334 KYJAQASITISDNS-WOJBJXKFSA-N 324.468 4.645 30 20 DJED C=CC[C@@H](CC)NC(=O)N(CCC)[C@@H](C)c1ccccc1OC 466410816 WMHVTTHWBYPCGT-JKSUJKDBSA-N 318.461 4.533 30 20 DJED C=CCCCC[C@H](C)N[C@H](C)c1nc(C(F)(F)F)cs1 467736811 XYCJDPXLPRARTC-WDEREUQCSA-N 306.397 4.947 30 20 DJED C=CCC(CC=C)C(=O)N(C)Cc1cccc(Cl)c1Cl 467749126 ZAJUXTMPQBPJGG-UHFFFAOYSA-N 312.240 4.720 30 20 DJED N#C[C@@H]1CC[C@H](N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 471606612 OIPQYUNDIBSKGX-LSTHTHJFSA-N 324.855 4.906 30 20 DJED C=CCCCC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 480869672 FUZJJRNRYJCCEK-NRFANRHFSA-N 305.421 4.517 30 20 DJED CCSc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1C#N 504537695 BTOODHCRJHAANL-UHFFFAOYSA-N 312.316 4.653 30 20 DJED CCOC1CC(CNc2cccc(Oc3ccc(C#N)cc3)c2)C1 506269445 NOJHBYFEAXVTLN-UHFFFAOYSA-N 322.408 4.578 30 20 DJED C[C@H](CN(C)Cc1cccc(OCCCC#N)c1)c1ccccc1 514100036 SQCZTLUNAXWUST-GOSISDBHSA-N 322.452 4.605 30 20 DJED CC(C)c1nc2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1C#N 515484287 QAIXHTOHUGBVFC-UHFFFAOYSA-N 317.348 4.805 30 20 DJED C=C[C@H](CC(=O)N(Cc1ccc(F)cc1)C1CC1)c1ccccc1 536166377 UFVKUPWHBDHCGN-QGZVFWFLSA-N 323.411 4.677 30 20 DJED C=CCCC[C@@H](C)NC(=O)N(Cc1ccc(C)s1)C(C)C 538364654 NTRLUTZCFHQDMW-CQSZACIVSA-N 308.491 4.721 30 20 DJED Cc1csc(-c2cccc(OCc3ccc(CC#N)cc3)c2)n1 541291755 XTGPUPIWNXMFSY-UHFFFAOYSA-N 320.417 4.764 30 20 DJED C=C(C)C[C@@H](C)c1nc(-c2ccccc2Oc2ccccn2)no1 565858997 QLNBULZMNMXQPJ-CQSZACIVSA-N 321.380 4.994 30 20 DJED Cc1oc(C(C)C)cc1C(=O)[C@H](C#N)c1nc(C2CC2)cs1 647379802 OGLWAFMTFUUTTG-ZDUSSCGKSA-N 314.410 4.535 30 20 DJED C=C(C)COc1cccc(NC(=S)Nc2cccc(C)c2)c1 727284925 NRNXQLHJJXODGL-UHFFFAOYSA-N 312.438 4.759 30 20 DJED CCCCCCCCC(=O)Nc1cc(OC)c(OC)cc1F 730505072 VRBLRKZMOGTDQM-UHFFFAOYSA-N 311.397 4.532 30 20 DJED CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2cccc(C)c2)c1 743475998 APQISZUXAOLPMV-LPHOPBHVSA-N 308.425 4.527 30 20 DJED COc1cccc2cc(CN[C@@H](CCC#N)c3ccccc3)oc12 747929760 VMNAUTJQMCCDTE-SFHVURJKSA-N 320.392 4.576 30 20 DJED C[C@@H](OC(=O)CCc1ccc(Cl)s1)c1ccc(C#N)cc1 748685849 UPHQUJFURPIXGD-LLVKDONJSA-N 319.813 4.510 30 20 DJED Cc1ccc(-c2nc(/C=C/C(=O)c3sccc3C)co2)cc1 749893820 LWSONUHQUMWWMI-BQYQJAHWSA-N 309.390 4.916 30 20 DJED Cc1oc2ccccc2c1/C=C/C(=O)c1ccc2c(c1)COC2 759085616 VTWWTJUADVNHQG-CMDGGOBGSA-N 304.345 4.668 30 20 DJED O=C(/C=C/c1ccc(F)cc1Br)c1ccsc1 767730543 YZOUAHMPRJYMOI-DUXPYHPUSA-N 311.175 4.546 30 20 DJED CCCCC[C@H](C)CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 767966086 QUAYXWLZIXVGSE-KRWDZBQOSA-N 324.468 4.780 30 20 DJED CC(=NNc1nc2ccccc2s1)c1csc(C(C)C)n1 768763380 FTPDQXPCUSRIIW-UHFFFAOYSA-N 316.455 4.712 30 20 DJED N#C[C@@H]1CCC[C@@H](Nc2cccc(COc3ccccc3)c2)C1 774283772 YBKNWUSRTBEQAC-SJLPKXTDSA-N 306.409 4.760 30 20 DJED C#CCCCCN[C@@H](CC)c1ccc(Cl)c(Cl)c1O 775525242 FHVAICCNZJGZDV-ZDUSSCGKSA-N 300.229 4.543 30 20 DJED C#CC[C@H](N[C@H](C)c1cc2cccc(OC)c2o1)c1ccccc1 776169293 GLCIQUCBUZYSGJ-QAPCUYQASA-N 319.404 4.857 30 20 DJED O=C(/C=C/c1ccc(F)nc1)c1ccc(-c2ccccc2)cc1 777464409 ULCBFSSWRWBOJF-WUXMJOGZSA-N 303.336 4.784 30 20 DJED CCCCCC(CCCCC)NC(=O)N1CCC(CC#N)CC1 781821223 BLHNJAKWACFPAH-UHFFFAOYSA-N 321.509 4.851 30 20 DJED FC(F)(F)c1ccccc1ON=Cc1ccc2cnccc2c1 782252548 BIBQDJCIQJNVNP-UHFFFAOYSA-N 316.282 4.667 30 20 DJED CC(=NNc1c(C)cc(C)cc1C)c1cnn(C(C)(C)C)c1C 787157948 PCLBCEURRHDFAE-UHFFFAOYSA-N 312.461 4.708 30 20 DJED O=C(/C=C/c1ccc(-c2c(F)cccc2F)o1)c1cncs1 787173156 XPKNFOUQBOTYSD-GQCTYLIASA-N 317.316 4.577 30 20 DJED N#Cc1ccc(C(=O)/C=C/C=C\c2ccc(F)cc2)c(Cl)c1 788358803 LGVYIRZAEJKQSF-HSFFGMMNSA-N 311.743 4.803 30 20 DJED CCCCCCCC[S@@](=O)Cc1ccc(C(F)(F)F)cn1 790601860 QBRZQPYAJJYFPE-OAQYLSRUSA-N 321.408 4.710 30 20 DJED CC(C)Oc1ccccc1C=NOCc1cccc(C(F)F)c1 794714377 PAGCSWWIXPZOAL-UHFFFAOYSA-N 319.351 4.962 30 20 DJED O=C(/C=C/c1sc2ccccc2c1Cl)c1ccnc(F)c1 794721793 MCYCLNDMDYQCGF-AATRIKPKSA-N 317.772 4.985 30 20 DJED C=CCCCCCCNC(=O)Nc1ccc(-c2ncco2)cc1 806380139 ZOESHHINGYHEIG-UHFFFAOYSA-N 313.401 4.600 30 20 DJED CC(CC(C)(C)c1ccccc1)=NNc1nccnc1C1CCC1 807990825 CMNRJPCHTMIZBW-UHFFFAOYSA-N 322.456 4.900 30 20 DJED COc1ccc(/C=C/C(=O)c2ccccc2OC(F)F)cc1C 810201505 ZYHJNHMHHPARMI-VQHVLOKHSA-N 318.319 4.501 30 20 DJED CCC(=O)Nc1ccc(C)c(N[C@@H](CC)c2cccc(C#N)c2)c1 902896997 DABWFIDZIOLAQC-SFHVURJKSA-N 321.424 4.778 30 20 DJED CC1(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCCC1 915180234 MHWLLAHXAJZPLK-IBGZPJMESA-N 318.420 4.861 30 20 DJED CCCCCCCCC(=O)Nc1cc(NC(C)=O)ccc1Cl 917830819 PSKHMYHOTNQDCA-UHFFFAOYSA-N 324.852 4.988 30 20 DJED CC(C)[C@@H]1CN(c2nc(C#N)c(Cl)s2)c2ccccc21 1163205591 SYJXABYVJKTDPN-NSHDSACASA-N 303.818 4.559 30 20 DJED CCCN(Cc1ccc(C#N)cc1)[C@H]1CCc2ccc(F)cc21 1190348651 NCDHAGLXFHEIBZ-FQEVSTJZSA-N 308.400 4.597 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1ccc([C@H](C)CC)cc1 1293064969 WTWGYANKJMGSED-MRXNPFEDSA-N 314.473 4.992 30 20 DJED N#Cc1ccc(CN2C[C@@H]3CCCC[C@@]32c2ccccc2)s1 1323332219 WFJFCUZUCWCZRQ-QFBILLFUSA-N 308.450 4.521 30 20 DJED C=CCC[C@@H](C)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 1324348111 FYCQPZIWGFVLHI-LBFURVHYSA-N 312.501 4.516 30 20 DJED Cc1ccc(-c2cc(COc3cc(Cl)ccc3C#N)on2)cc1 1458993934 LCGNQFYMAKHXLL-UHFFFAOYSA-N 324.767 4.754 30 20 DJED CC(C)C[C@H]1CCCCN1Cc1ccc(C#N)cc1OC(F)F 1459715597 BJELNKQVNXLBAT-MRXNPFEDSA-N 322.399 4.560 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc(F)c1Cl 1460274252 BUOQATIZQXMHOO-LBPRGKRZSA-N 302.780 4.544 30 20 DJED CC(C)[C@H]1CC[C@H](C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 1460983437 OEQJZPVSCJUNJN-MBOZVWFJSA-N 324.468 4.514 30 20 DJED CC(C)COc1cccc(COc2cc(Cl)cc(C#N)c2)c1 1473039685 SHCLDFFAIZOVFZ-UHFFFAOYSA-N 315.800 4.825 30 20 DJED CCC(C)(C)c1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1 1525136769 HJFRVRSKYGWVCK-UHFFFAOYSA-N 310.372 4.637 30 20 DJED Cc1ccc(C(=O)Nc2cc3ccccc3cc2C#N)c(F)c1F 1535800604 RTHZXUFOHWEEOB-UHFFFAOYSA-N 322.314 4.550 30 20 DJED CC[C@H](C)CC(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C 1544389908 FJVBGCIXPCEFOG-SRVKXCTJSA-N 304.459 4.680 30 20 DJED CC(C)(CNc1ncccc1C#N)c1c(Cl)cccc1Cl 1559098954 AHQKTHCTTCMODS-UHFFFAOYSA-N 320.223 4.650 30 20 DJED COc1ccc([C@H](C)SCc2cc(C#N)ccc2F)cc1 1559364823 NQISLKYPZIKTFX-LBPRGKRZSA-N 301.386 4.700 30 20 DJED N#Cc1ccc(C2=CCN([C@H]3CCCc4ccccc43)CC2)cc1 1559715263 VPPUUVHQAFVODM-QFIPXVFZSA-N 314.432 4.725 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)C[C@@H]1C[C@H]1c1ccccc1 1560679288 IQDVVFDBCZUQFQ-VXKWHMMOSA-N 318.464 4.820 30 20 DJED CCCN(c1ccc(C#N)c(C)n1)[C@@H](C)c1cc2ccccc2o1 1611860529 FNVGGTMZMJJIGT-HNNXBMFYSA-N 319.408 4.986 30 20 DJED N#Cc1ccccc1-c1ccc(CN2C[C@H]3CCC[C@H]2C3)cc1 1620649573 XMIZAEQKHBVQJC-PXNSSMCTSA-N 302.421 4.600 30 20 DJED N#Cc1sc(NC[C@H]2CCC[C@@H]2c2ccccc2)nc1Cl 1639960567 WNAGYKVSVXWHEV-CHWSQXEVSA-N 317.845 4.664 30 20 DJED N#Cc1ccc(NC[C@@H]2CCC[C@@H]2C2CC2)cc1Br 1640030002 YDKNIHCOGAZMKX-DZGCQCFKSA-N 319.246 4.559 30 20 DJED C=C(Br)CN1CCCCC[C@@H]1c1ccc(CC)o1 1641827696 CBCZVDWMMCLVEU-CQSZACIVSA-N 312.251 4.668 30 20 DJED CC(C)c1ccc2ncnc(Oc3cccc(F)c3C#N)c2c1 1642458220 FXWTTXKJQCRBMF-UHFFFAOYSA-N 307.328 4.556 30 20 DJED CC(C)c1ccc([C@H]2CCCCN2c2cccc(C#N)n2)cc1 1642528019 HWDUUYNIIVJAGP-LJQANCHMSA-N 305.425 4.808 30 20 DJED CC(C)(C#N)CCN1CCC(Cc2ccc(Cl)cc2)CC1 1644194447 NVKCFQJQVJRWHM-UHFFFAOYSA-N 304.865 4.534 30 20 DJED C=C(Br)CNC[C@@H](C)Cc1ccc(C(C)(C)C)cc1 1649176071 VNZHSZCTIZTFKW-ZDUSSCGKSA-N 324.306 4.661 30 20 DJED Cc1ccc(CNc2c(C#N)nnc3ccccc23)c2ccccc12 1651151057 IBVQMILYHKRNFT-UHFFFAOYSA-N 324.387 4.575 30 20 DJED N#Cc1c(CSCc2cccc(F)c2F)cn2ccccc12 1653074018 OMEVHUQVUXUIOT-UHFFFAOYSA-N 314.360 4.523 30 20 DJED CC(C)[C@H](Cc1ccccc1)Nc1nc(C(C)(C)C)ccc1C#N 1655845272 HQMNACXGRIAOQS-SFHVURJKSA-N 321.468 4.930 30 20 DJED CCCN(Cc1ccc(C#N)cc1)[C@H]1CCc2c(F)cccc21 1656985118 VFTYUAIADPMXNT-FQEVSTJZSA-N 308.400 4.597 30 20 DJED CC[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cccc(F)c1C#N 1659074382 GHOXKDCZPURDCY-NQIIRXRSSA-N 322.427 4.856 30 20 DJED CCCCN(C(=O)Nc1sccc1C#N)[C@H]1CCC[C@H](C)C1 1663159896 SMUZGXIZOBOWEI-ZFWWWQNUSA-N 319.474 4.832 30 20 DJED CC(CCCCCCC(=O)O)=NNc1ccc(Cl)cc1F 1776106555 KTXWJCULJYDOKO-UHFFFAOYSA-N 314.788 4.692 30 20 DJED C[C@H](C#N)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 57737357 QOMLSFWWJLHRPB-UTSBKAFOSA-N 311.768 4.527 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(CC)cc1 60451275 QVZGBYIYFQUILF-UHFFFAOYSA-N 319.857 4.792 30 20 DJED CCCCCCNC(=O)Nc1ccccc1S[C@@H](C)CC#N 66955735 OVQPNLWEFOZMNQ-AWEZNQCLSA-N 319.474 4.783 30 20 DJED COc1cc(/C=C\C(=O)c2ccc(Cl)cc2)cc(Cl)c1O 96766271 BOOIULKIRNJGNP-UQCOIBPSSA-N 323.175 4.604 30 20 DJED N#CCCSc1ccccc1NC(=O)C1CCCCCCC1 172839227 KHZUWEMTWAQVME-UHFFFAOYSA-N 316.470 4.991 30 20 DJED C=C(C)[C@@H](N[C@H]1CCCc2occc21)c1ccc(F)c(F)c1 193302657 DZUUNBVCRRTWQQ-FUHWJXTLSA-N 303.352 4.842 30 20 DJED O=C1/C(=C\c2ccc(N3CCCCC3)cc2)CCc2ccccc21 212554544 WYNRNCTZBILFNL-MNDPQUGUSA-N 317.432 4.889 30 20 DJED CSCc1cccc(CNc2c(C#N)cnc3ccccc23)c1 302488769 JEJVZZANIJCIFH-UHFFFAOYSA-N 319.433 4.582 30 20 DJED O/C(Cc1noc2ccccc12)=N/[C@@H]1CC[C@@H]2CCCC[C@H]2C1 329021870 MJHGAMAOUXOWBX-SOUVJXGZSA-N 312.413 4.686 30 20 DJED O/C(=N/C1CCC2(CCCCC2)CC1)c1ocnc1C1CC1 329666166 RCQUPXSNBSAHRT-UHFFFAOYSA-N 302.418 4.750 30 20 DJED CCC[C@H](CC1CCCC1)/C(O)=N/[C@@H]1CCCc2c[nH]nc21 330126537 MLMAAWTVEIDPSN-GDBMZVCRSA-N 303.450 4.740 30 20 DJED CC(C)c1[nH]ccc1/C(O)=N/C1(C#N)CCC(C(C)(C)C)CC1 330597254 DRIQDACZFQGKPY-UHFFFAOYSA-N 315.461 4.941 30 20 DJED CC(C)CCN(CCC#N)Cc1ccccc1Oc1cccnc1 362182823 DGZWKDWZLSMNSO-UHFFFAOYSA-N 323.440 4.636 30 20 DJED C[C@H](Sc1nc2cc(F)c(F)cc2[nH]1)c1cccc(C#N)c1 442917704 HNUHIPYOBPKQLG-VIFPVBQESA-N 315.348 4.566 30 20 DJED CC(C)[C@@H]1N(C(=O)C[C@H](CC#N)c2ccccc2)CC12CCCC2 457146703 PKBFRZPKAZIYLR-ICSRJNTNSA-N 324.468 4.501 30 20 DJED Cc1cnn(CCCCCSc2ccc(C#N)cc2Cl)c1 465389636 UGXUXHAOXZGTJV-UHFFFAOYSA-N 319.861 4.679 30 20 DJED C=CCCN(C)C(=O)c1ccc(SCc2ccccc2)cc1 467059488 OYINGEMBDXLNOU-UHFFFAOYSA-N 311.450 4.627 30 20 DJED Cc1c(F)ccc(Cl)c1C(=O)Nc1ccc(Cl)c(C#N)c1 474592571 OZTQARRACIJBSH-UHFFFAOYSA-N 323.154 4.565 30 20 DJED C[C@@H](C#N)CSc1ccccc1NCc1ncc(Cl)s1 478330947 CIZRIFMUMNWROO-JTQLQIEISA-N 323.874 4.660 30 20 DJED COCCCC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 479501029 WFOGTXDPAQRFIS-UWJYYQICSA-N 322.452 4.767 30 20 DJED Cc1ccc([C@H](Nc2cccc(F)c2C#N)c2ccccn2)cc1 480583475 QRSDSRGPNFZEBH-FQEVSTJZSA-N 317.367 4.602 30 20 DJED C=CCCO[C@H](C)C(=O)N(C1CCCC1)[C@@H](C)c1ccccc1 485466948 OCBOVXUXDWUYNZ-DLBZAZTESA-N 315.457 4.500 30 20 DJED CCC[C@@H](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 499331648 VLMDQDVJHWVFPT-GFCCVEGCSA-N 304.459 4.653 30 20 DJED CCCOc1ccc(Cl)cc1NCc1ccc(C#N)cc1F 511099675 RGWCOBYEVZNLBH-UHFFFAOYSA-N 318.779 4.752 30 20 DJED C=CC[C@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1OC(F)F 540170954 NIIZAUCLBFWFTP-UWVGGRQHSA-N 321.314 4.505 30 20 DJED C=CCCCC(=O)Nc1ccccc1NCc1ccccc1C 543940690 GEHYCSDLDBZEIJ-UHFFFAOYSA-N 308.425 4.902 30 20 DJED CCCOc1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 551816527 AELINUYDRIOGFJ-INIZCTEOSA-N 320.436 4.687 30 20 DJED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)CCC2 561139557 DTMYKDSELTVUAI-QRQCRPRQSA-N 316.448 4.775 30 20 DJED C[C@@H](NCC(C)(C)CCC#N)C1CCC(C(F)(F)F)CC1 562046482 WQGWUJOTUOCEHD-IYXRBSQSSA-N 304.400 4.663 30 20 DJED C[C@@H](N[C@@H]1CCC[C@H]1c1ccccc1)c1ccc(C#N)cc1F 573512172 SXGWEOVZNWHXTB-HEFCMCLBSA-N 308.400 4.684 30 20 DJED Cc1cc(-c2cccc(C3(C#N)CCOCC3)c2)c(F)cc1F 592986791 KVWQBHSPUVVFCJ-UHFFFAOYSA-N 313.347 4.512 30 20 DJED CC(C)(C(=O)Nc1cccc(C#N)c1)c1ccc2ccccc2c1 610223353 TZUJAANDFZXUKJ-UHFFFAOYSA-N 314.388 4.628 30 20 DJED CCC(C)(C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 726858889 XSRMIZLYQLAVPN-JTQLQIEISA-N 306.818 4.562 30 20 DJED COc1ccc(/C=C2\CSc3c(Cl)cccc3C2=O)cc1 731939698 QZMFCKRLGSPDKF-FMIVXFBMSA-N 316.809 4.721 30 20 DJED COc1ccc(OC(F)F)c(/C=C/C(=O)c2ccc(C)s2)c1 732925679 CXHFAHJPZDUTHC-GQCTYLIASA-N 324.348 4.563 30 20 DJED COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1C#N 741840293 NSXYGHYTJSNEJA-PKNBQFBNSA-N 313.356 4.616 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)c1ccc(C)o1 742485980 JWMLUVSRJRKGDG-GFCCVEGCSA-N 323.845 4.621 30 20 DJED CCC(CC)CN(CCC#N)Cc1cc(Cl)nc(Cl)c1 744405510 OOFDNQSRKWNTDS-UHFFFAOYSA-N 314.260 4.540 30 20 DJED CCOc1cccc([C@H](C)/N=C/c2cc3ccccc3nc2O)c1 745011834 AJFYVUMMBZAOIZ-HADWXUJASA-N 320.392 4.519 30 20 DJED CC(C)CC(=NNc1oc(CC(C)C)nc1C#N)c1ccccc1 745614009 VVPCTMJUEZRPCI-UHFFFAOYSA-N 324.428 4.607 30 20 DJED COc1cc(C)c(/C=C/C(=O)c2coc3ccccc23)cc1OC 747706670 YAYHYQLIWMMCPM-CMDGGOBGSA-N 322.360 4.655 30 20 DJED Cc1cccc2sc(C(=O)O[C@@H](C#N)C(C)C)c(Cl)c12 751160234 AYQKNEWQWMDOQF-JTQLQIEISA-N 307.802 4.568 30 20 DJED CC(C)(C)c1ncc(/C=C/C(=O)c2cc(F)ccc2F)s1 757476626 XKEZKPMRLWMHBY-FNORWQNLSA-N 307.365 4.615 30 20 DJED N#Cc1ccc(CN[C@@H]2CCSc3c(Cl)cccc32)cc1 765015776 QFUGDJMIWAJLRM-MRXNPFEDSA-N 314.841 4.538 30 20 DJED C#CC[C@@H](N[C@H](CC)c1ccc(OC)c(OC)c1)c1ccccc1 773114938 KYOVRTYMMDGYMT-RTBURBONSA-N 323.436 4.509 30 20 DJED CCCCCC[C@H](C)CC(=O)Nc1ccccc1O[C@H](C)C#N 780151170 ZNWRVTQEAMFBOV-JKSUJKDBSA-N 316.445 4.913 30 20 DJED C#CCCCCCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 780313933 UGTINAPSYWQJQY-MRXNPFEDSA-N 322.433 4.570 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 785590203 MJYPYDWTZZXKIL-IBGZPJMESA-N 310.397 4.723 30 20 DJED C=CCC[C@@H](NCc1cccc(O[C@@H](C#N)CC)c1)c1ccco1 796817590 QUQPQJGLARGJSQ-IEBWSBKVSA-N 324.424 4.758 30 20 DJED CC(C)(C)c1ccc(NN=C2CCCC23CCOCC3)cc1 799885030 XWFJRGUXAMXDHM-UHFFFAOYSA-N 300.446 4.733 30 20 DJED CCOc1ccc(NN=C(C)c2csc(C(C)C)n2)cc1 814985801 SQIPTNWIGGIHCT-UHFFFAOYSA-N 303.431 4.501 30 20 DJED CC[C@H](Nc1cccc2c1OCC[C@H]2OC)c1cccc(C#N)c1 902976679 URNQTGFMGZVWOY-PKOBYXMFSA-N 322.408 4.591 30 20 DJED CCOc1cccc(/C=C/C(=O)c2cccc(OC(F)F)c2)c1 915985829 XXXMBBZMNLSCIN-MDZDMXLPSA-N 318.319 4.583 30 20 DJED Cc1cccc(C(=O)/C=C\c2ccc(N3CCCCC3)cc2)c1 916153136 BCTDDZAWFBEMQL-RAXLEYEMSA-N 305.421 4.881 30 20 DJED CC(C)(C#N)c1ccc(C(=O)Nc2ccccc2C(F)F)cc1 1129972149 LHVAQXPWDBRMEW-UHFFFAOYSA-N 314.335 4.678 30 20 DJED CCC(C#N)(CC)C(=O)N(Cc1c(C)cccc1C)CC(C)C 1130254751 LXQHILHAOHFAAS-UHFFFAOYSA-N 314.473 4.618 30 20 DJED CC[C@H](C#N)N(CC)C(=O)c1sc2cccc(C)c2c1Cl 1134425584 PLOSNTBQOXJYDF-LLVKDONJSA-N 320.845 4.627 30 20 DJED CC(C)(C)[C@H]1CN(CCOc2cccc(C#N)c2)c2ccccc21 1169843524 GDUPAAYPQWAJEW-IBGZPJMESA-N 320.436 4.587 30 20 DJED CC1(C#N)CCC(NCC2(c3ccc(Cl)cc3)CCC2)CC1 1308239730 CTGWJPFXZYGYTO-UHFFFAOYSA-N 316.876 4.824 30 20 DJED C=CCCC[C@@H](C)NC(=O)c1nc(-c2ccccc2)oc1C1CC1 1320638858 VCCNWYXTCFJKCR-CQSZACIVSA-N 324.424 4.694 30 20 DJED CC(C)c1ccc(/C=C/CC(=O)Nc2ccc(F)cc2C#N)cc1 1355278601 MLZAXAZGECKTFA-ONEGZZNKSA-N 322.383 4.863 30 20 DJED Cc1ccc(C#N)cc1NCc1cc(C)c(OC(F)F)c(C)c1 1461565551 ROSKMXGAWSEDAP-UHFFFAOYSA-N 316.351 4.697 30 20 DJED Cc1ccc2c(c1)CC[C@H]2Nc1nc(C(C)(C)C)ccc1C#N 1472667586 GJMMJWSBXRQDEF-QGZVFWFLSA-N 305.425 4.659 30 20 DJED N#Cc1ccccc1COc1ccc(SC(F)(F)F)cc1 1473028530 FYNWBIPTLJGLFY-UHFFFAOYSA-N 309.312 4.749 30 20 DJED N#Cc1ccc(CN(Cc2ccc(Cl)c(F)c2)C2CC2)cc1 1473304197 JOPKPMXRLZUEDO-UHFFFAOYSA-N 314.791 4.515 30 20 DJED N#Cc1cc(NC(=O)C2(Cc3ccccc3)CCC2)ccc1Cl 1523658753 NXMFGFRTOBUMPJ-UHFFFAOYSA-N 324.811 4.563 30 20 DJED Cc1ccc(C#N)cc1C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 1526761970 SWQKRBZLMKZKRW-IBGZPJMESA-N 320.436 4.774 30 20 DJED N#Cc1ccccc1N(C(=O)c1ccc(C2CC2)cc1)C1CCC1 1532422267 GHYCOYHDKWFOCE-UHFFFAOYSA-N 316.404 4.635 30 20 DJED C[C@H]1CCc2sc(NC(=O)CCCC3CC3)c(C#N)c2[C@@H]1C 1584029801 XPNNAOBGIHRUAK-NWDGAFQWSA-N 316.470 4.824 30 20 DJED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(-c3cccs3)s2)C1 1584702439 BGLSKTZTQVABAU-NWDGAFQWSA-N 317.435 4.716 30 20 DJED CCc1nc(S[C@H](C)c2ccc(C#N)cc2)c2ccccc2n1 1614575202 AGIWODOQIMFDQI-CYBMUJFWSA-N 319.433 4.917 30 20 DJED N#Cc1ccc2c(c1)N(CC1CCC(c3ccccc3)CC1)CC2 1616942694 QBUUVBSBJGLZKL-UHFFFAOYSA-N 316.448 4.895 30 20 DJED N#CCC1(CN2CC=C(c3ccc(Cl)c(Cl)c3)CC2)CC1 1617116080 UZQQCRAUERGHDZ-UHFFFAOYSA-N 321.251 4.776 30 20 DJED C=C(CNC(=O)N1c2ccccc2C(C)(C)[C@H]1C)c1ccccc1 1635923871 ZGEVBOAIOQXGQQ-MRXNPFEDSA-N 320.436 4.596 30 20 DJED CC(C)c1ccc([C@@H]2CCCCN2c2cccc(C#N)n2)cc1 1642528011 HWDUUYNIIVJAGP-IBGZPJMESA-N 305.425 4.808 30 20 DJED C[C@@H](NCCC1(C#N)CCCCC1)c1ccc(F)cc1Cl 1645858003 YHODBZPELZNWHC-CYBMUJFWSA-N 308.828 4.994 30 20 DJED CC(C)CCOc1ccc(Nc2ccc(Cl)c(C#N)n2)cc1 1650787914 NIHJGCCFLXBWNR-UHFFFAOYSA-N 315.804 4.775 30 20 DJED N#CCC1(CN2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 1654425232 OUXWNGLATBLBBD-HNNXBMFYSA-N 322.374 4.579 30 20 DJED CC(C)(C)c1ccc2c(c1)CCN(Cc1cccc(F)c1C#N)C2 1657272224 SJNBZBAPMGOPOR-UHFFFAOYSA-N 322.427 4.553 30 20 DJED CC[C@@H]1CN(Cc2ccc(C#N)cc2C)CC[C@@H]1c1ccccc1 1657515590 PGGLQWFUQGJTFV-KNQAVFIVSA-N 318.464 4.882 30 20 DJED Cc1cc(C)c(/C=C\CN(C)Cc2cccc(C#N)c2)cc1C 1658653722 FHLOAOOTCGXNRF-TWGQIWQCSA-N 304.437 4.629 30 20 DJED CCCCC1CCC(NC(=O)Nc2ccc(F)c(C#N)c2)CC1 1666733701 RRLOAFZGBMCLKJ-UHFFFAOYSA-N 317.408 4.568 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(Cl)s1 63751138 QLMMQXHATBWZQE-UHFFFAOYSA-N 304.846 4.684 30 20 DJED CC(C)CCCNC(=O)Nc1ccccc1S[C@H](C)CC#N 66954372 IYSNBWQQAFDTRV-CQSZACIVSA-N 319.474 4.639 30 20 DJED C=C(C)C(=O)OCCCCCCCCCCCOC(=O)C(=C)C 139578864 NYLVBERZLWFORK-UHFFFAOYSA-N 324.461 4.736 30 20 DJED N#Cc1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1 140383091 LDKWAOWDXHORNK-UHFFFAOYSA-N 314.388 4.749 30 20 DJED Cc1nc(CNc2cccc(C#N)c2)oc1-c1ccc(Cl)cc1 163628438 YUCPHLGOBZECSP-UHFFFAOYSA-N 323.783 4.787 30 20 DJED C=C(C)[C@@H](NC(=O)[C@H](C)c1cccs1)c1ccc(F)c(F)c1 186053439 DAMLDEOSTZLWPK-BDJLRTHQSA-N 321.392 4.563 30 20 DJED CC(C)COc1ccc(C(C)(C)NCc2ccc(C#N)cc2)cc1 236666513 UHHGXSBKVHZDRT-UHFFFAOYSA-N 322.452 4.618 30 20 DJED N#CC[C@H](CC(=O)N(CC1CC1)c1ccccc1)c1ccccc1 356331582 MQKYFLPEOCHMNO-LJQANCHMSA-N 318.420 4.517 30 20 DJED N#CC1(CCCN2CCC[C@@H]2CC2CCCCC2)CCOCC1 410342112 ZVLCQQJGDUVAQF-LJQANCHMSA-N 318.505 4.522 30 20 DJED C=CCCc1ccccc1NC(=O)c1c(Cl)cccc1OC 410365619 DYIWLPSNOURPOD-UHFFFAOYSA-N 315.800 4.720 30 20 DJED CC[C@H](CC(C)C)C(=O)Nc1ccccc1SC[C@H](C)C#N 410456719 IBNUPEYEECBGNZ-HUUCEWRRSA-N 318.486 4.949 30 20 DJED CC#CCCCC(=O)N(C)c1ccc(C(F)(F)F)cc1Cl 439117650 LTCRGCVRGACZES-UHFFFAOYSA-N 317.738 4.515 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(Oc2ccccn2)cc1 467333056 RRMHOXPSSQUEFC-UHFFFAOYSA-N 308.381 4.581 30 20 DJED C=CCC(CC=C)C(=O)Nc1cc(Cl)c(Cl)cc1OC 482049305 YUNNFXLFIDHPKW-UHFFFAOYSA-N 314.212 4.709 30 20 DJED CC(C)CCCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 482548768 JCEACTIVXFREOJ-UHFFFAOYSA-N 322.408 4.517 30 20 DJED N#Cc1cccc(C(=O)N(c2ccsc2)C2CCCCC2)c1 487259570 HBCBFVVNLFAVOH-UHFFFAOYSA-N 310.422 4.599 30 20 DJED N#Cc1ccccc1N(Cc1ccco1)C(=O)CC1CCCCC1 501021351 OPYVIGPKLGTICF-UHFFFAOYSA-N 322.408 4.655 30 20 DJED C=C(C)COc1cccc(NC(=O)Nc2cccc3[nH]ccc23)c1 502425725 PMLNUQSKHPISRN-UHFFFAOYSA-N 321.380 4.767 30 20 DJED C[C@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2ccc(C#N)cc2)C1 513515741 QGJSUQIDIGUAPC-HNAYVOBHSA-N 319.408 4.563 30 20 DJED C=CCCC(=O)N(CCc1ccccc1)Cc1ccc(C)s1 523228057 FACWIVIWHJSOLK-UHFFFAOYSA-N 313.466 4.594 30 20 DJED C=CCOCCCSCc1ncc(-c2ccc(Cl)cc2)o1 530367581 ODFSRWMJCKAZJZ-UHFFFAOYSA-N 323.845 4.821 30 20 DJED C=CCSc1ccccc1C(=O)NCc1cc2ccccc2o1 548587361 GGKUUZROUHCFCE-UHFFFAOYSA-N 323.417 4.641 30 20 DJED COc1ccc([C@@H](NCC(C)(C)CCC#N)c2ccccc2)cc1 571668391 NAHYJDBUICYHBV-FQEVSTJZSA-N 322.452 4.704 30 20 DJED C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc2c(c1)CCCC2 574946506 KJTDPUSTNXLSAG-OYHNWAKOSA-N 316.448 4.775 30 20 DJED C=CCC[C@H](NCc1c(F)cc(F)c(F)c1F)c1ccco1 579935022 IBZFALIIBWBAKH-ZDUSSCGKSA-N 313.294 4.633 30 20 DJED C=C(C)COc1cccc(NC(=O)NC(C)(C)c2ccccc2)c1 589739563 URJLIVDPTZQRFN-UHFFFAOYSA-N 324.424 4.698 30 20 DJED Cc1cc(C(F)(F)F)ccc1CNc1cc(F)cc(C#N)c1 600862631 YGOLQOXQCRNIGW-UHFFFAOYSA-N 308.278 4.637 30 20 DJED CC(C)C[C@@](C)(C#N)NC(=O)c1cc2c(Cl)cccc2s1 604546227 YEWLGHJXMBUYRN-INIZCTEOSA-N 320.845 4.613 30 20 DJED Cc1ccc(CSc2ccc(C#N)c(C(F)(F)F)c2)nc1 611728458 RRQOCHHMLJQPIH-UHFFFAOYSA-N 308.328 4.573 30 20 DJED Cc1cc(C)c([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1C 618805325 NQBIAMWETCXVOE-IIBYNOLFSA-N 304.437 4.822 30 20 DJED CCN(Cc1cc2ccccc2[nH]1)[C@@H](C)c1ccc(C#N)cc1 619069231 GWFDXXLRASIBRS-HNNXBMFYSA-N 303.409 4.623 30 20 DJED C=CCOc1cccc(/C=C\C(=O)c2cn(C)c3ccccc23)c1 726741475 XTXPXPFFNDHWDJ-QXMHVHEDSA-N 317.388 4.639 30 20 DJED COc1cccc2cc(/C=C/C(=O)c3ccc(F)cc3C)oc12 731322307 WUIOJEQCTSDCEO-VQHVLOKHSA-N 310.324 4.785 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C\c3ccc(F)cc3C)c2c1 734308370 ZPPBLCMQHXWGQL-YWEYNIOJSA-N 309.340 4.520 30 20 DJED CC[C@H]1CCCC(=NNc2ncnc3sc(C)c(C)c23)C1 734977472 ULVFACWFNBEGNC-LBPRGKRZSA-N 302.447 4.676 30 20 DJED CCCCCCCCOCC(=O)N1CCC[C@H]1c1ccsc1 741536183 GWTDGHYZZNLVSP-KRWDZBQOSA-N 323.502 4.789 30 20 DJED CCCCCCCCCN(C)C(=O)Nc1cnn(C(C)C)c1 747557133 UHNAGJAOROMIDY-UHFFFAOYSA-N 308.470 4.678 30 20 DJED C=C(Cl)CNC(=O)Nc1cccc(COC(C)(C)CC)c1C 750627204 XLUHZZSSTZZFIE-UHFFFAOYSA-N 324.852 4.574 30 20 DJED CCc1ccc(C(=O)/C=C\c2cnc(-c3cccs3)s2)o1 752237239 CYKRBXYEAWIOQH-SREVYHEPSA-N 315.419 4.923 30 20 DJED CCCC1(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)CC1 761046865 LCZZOFPOOIUZPI-NSHDSACASA-N 318.829 4.706 30 20 DJED C[C@@H](C#N)Oc1ccccc1N[C@H](C)CCCC(F)(F)F 775547754 QXJQHOODJOPXQO-NEPJUHHUSA-N 300.324 4.510 30 20 DJED C=CCCOCCCCC(=O)N1CCC(C2CCCCC2)CC1 775661445 NYFSGKDJSSWFRX-UHFFFAOYSA-N 321.505 4.568 30 20 DJED CC[C@@H](Cc1ccc(C)cc1)Nc1ccccc1O[C@@H](C)C#N 780746332 YPWDKHBWYXIHPZ-WMZOPIPTSA-N 308.425 4.719 30 20 DJED C=CCOc1ccc(CN[C@@H](C)c2ccc(N(C)CC)cc2)cc1 797005590 DIFJJTVKSZWQRH-KRWDZBQOSA-N 324.468 4.558 30 20 DJED CCC[C@@](C)(CC)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797570988 MQVCVDIUADDFLV-SJKOYZFVSA-N 306.475 4.833 30 20 DJED CC(C)C[C@@H](C)CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797572384 ZCZDRYNNGUWSIG-CHWSQXEVSA-N 306.475 4.689 30 20 DJED Cc1nn(C(C)C)cc1C=NNc1cc(Cl)ccc1Cl 799110856 HDKXNXJSCGGGHM-UHFFFAOYSA-N 311.216 4.525 30 20 DJED Cc1cc(C(=O)/C=C\c2cn(C)nc2C2CCCCC2)oc1C 799897048 MPWVOIGLQXWRRT-KTKRTIGZSA-N 312.413 4.574 30 20 DJED CC[C@@H](C=NNc1ccc(Cl)c(C(=O)O)c1)c1ccccc1 814688620 GIXBWUMWATYQCV-LBPRGKRZSA-N 316.788 4.630 30 20 DJED C=CCOc1ccc(C(=O)N(CC)c2ccc(Cl)cc2)cc1 914471826 DXAWYYNTIBWBSN-UHFFFAOYSA-N 315.800 4.572 30 20 DJED CCCCCCCC(=O)N(Cc1ccco1)Cc1ccco1 914610470 SDJXWZCTBVEZDZ-UHFFFAOYSA-N 303.402 4.762 30 20 DJED Cc1ccc(C(=O)/C=C/c2cn3cc(Cl)ccc3n2)c(C)c1 920755077 JZNGCEPGTSDFDJ-FNORWQNLSA-N 310.784 4.501 30 20 DJED CCC(C#N)(CC)C(=O)Nc1ccc(SC2CCCC2)cc1 1127264120 XCTUMLHBMJJTPD-UHFFFAOYSA-N 316.470 4.990 30 20 DJED N#Cc1cccc(N(C(=O)CCCC2CCCC2)C2CCC2)c1 1131153246 YZZLANHZYLITGE-UHFFFAOYSA-N 310.441 4.804 30 20 DJED CC(C)(C)c1ccc2c(c1)CCN2c1snc(Cl)c1C#N 1163120478 UFPUICMXHQDSJD-UHFFFAOYSA-N 317.845 4.660 30 20 DJED N#C[C@@H](Cc1ccccc1)Sc1nc2cc(F)ccc2s1 1166812193 ZGINCBGTZUXQHU-CYBMUJFWSA-N 314.410 4.662 30 20 DJED C[C@@H](CC(C)(C)C#N)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 1181267257 PPKSFJOBXFTLNK-NOLJZWGESA-N 324.390 4.869 30 20 DJED Cc1cc(OCc2cnc(-c3ccccc3)s2)ccc1C#N 1189233707 FUTWCKARXCLYEL-UHFFFAOYSA-N 306.390 4.569 30 20 DJED C[C@H]1CCc2sc(NC(=O)CC(C)(C)C)c(C#N)c2[C@@H]1C 1274493002 STYQUEGTUVWKDS-WDEREUQCSA-N 304.459 4.680 30 20 DJED C[C@H](Cc1ccc2c(c1)CCCC2)Nc1cccc(CC#N)c1 1308769801 MKKZTTUUVRNKIO-MRXNPFEDSA-N 304.437 4.675 30 20 DJED CCCCc1ccc(NC(=O)[C@H](CC#N)c2ccccc2)cc1 1351897647 XGCFXJJHXCRJLP-LJQANCHMSA-N 306.409 4.665 30 20 DJED CC[C@H]1CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1OC(C)C 1434887708 PAGNVRJJUXEVPQ-HOTGVXAUSA-N 314.429 4.500 30 20 DJED CCCN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(C)C 1437142832 ANVGAQIJKNIGIX-UHFFFAOYSA-N 322.408 4.611 30 20 DJED CCC(CC)(CNc1c(C#N)cccc1C#N)c1ccccc1 1458229271 OPHLJVJSUOMQRB-UHFFFAOYSA-N 303.409 4.600 30 20 DJED CN(C(=O)[C@@]1(C#N)CC12CCCC2)C1CC(C)(C)CC(C)(C)C1 1528078650 ROUHUMPWTIEWAO-FQEVSTJZSA-N 316.489 4.524 30 20 DJED C[C@@H](OC(=O)c1cccc2ccsc12)c1cccc(C#N)c1 1534857864 WSXZEOZNPMAWAB-GFCCVEGCSA-N 307.374 4.691 30 20 DJED CC(C)OC1CC(Sc2nc(-c3ccccc3)ccc2C#N)C1 1559372184 OYXYRMADDVYLNP-UHFFFAOYSA-N 324.449 4.668 30 20 DJED C[C@H]1[C@@H](Cc2ccccc2)CCN1[C@H](C)c1ccc(C#N)cc1 1615826730 UPFFKZRBHYKRLS-LLGFUMIMSA-N 304.437 4.572 30 20 DJED C=C(Cl)CNC(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F 1618046673 BWGQXCQZZQHALF-UHFFFAOYSA-N 317.791 4.592 30 20 DJED CC(C)(C)c1ccc(C#N)c(NCC2(c3ccccc3)CCC2)n1 1639224165 KAFLRSRCIXAFIT-UHFFFAOYSA-N 319.452 4.785 30 20 DJED Cc1cc(SCc2cc(F)ccc2OC(F)F)ccc1C#N 1652057992 BQTIUBLWPUACQS-UHFFFAOYSA-N 323.339 4.900 30 20 DJED N#Cc1ccc(CCN2Cc3ccccc3-c3ccccc3C2)cc1 1652410604 GXCMAKJTDHVAHK-UHFFFAOYSA-N 324.427 4.784 30 20 DJED N#C[C@H](CCc1ccccc1)S[C@@H]1CCOc2ccccc21 1652717353 IZTQLEMPMAIXER-QFBILLFUSA-N 309.434 4.768 30 20 DJED CC(C)c1cccc2c1CCN(Cc1ccc(C#N)cc1Cl)C2 1653497675 NWVXERZOQOANMQ-UHFFFAOYSA-N 324.855 4.893 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccc2occc2c1 1679922280 UYSSZMRIFCHDQJ-ZDUSSCGKSA-N 319.364 4.529 30 20 DJED C=CCOc1ccc(CN[C@@H](C)c2cc(C)sc2C)cc1 35252876 ZSHKFSGEEGXAKQ-AWEZNQCLSA-N 301.455 4.781 30 20 DJED Cc1noc(C)c1/C=C/C(=O)c1ccc(SCC(F)F)cc1 132724690 LBEHOTBGESKGHY-BQYQJAHWSA-N 323.364 4.545 30 20 DJED COc1ccc(-c2nc(CSCCCCC#N)cs2)cc1 161215966 LTCOFPAGALFRGA-UHFFFAOYSA-N 318.467 4.746 30 20 DJED C[C@@H](CCc1ccc(F)cc1)Nc1ccccc1O[C@@H](C)C#N 162272401 AITXOLHLIVPPAF-GJZGRUSLSA-N 312.388 4.550 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1c(C)[nH]c2ccc(Cl)cc12 179271200 RQVTZDMQMMQURB-UHFFFAOYSA-N 323.783 4.562 30 20 DJED N#Cc1ccc(NC2CCCCCCC2)cc1Br 228174183 RQMAPCGKBIUSER-UHFFFAOYSA-N 307.235 4.846 30 20 DJED CC(C)(CCC#N)CNCC(C)(C)c1ccc(F)cc1Cl 236817023 PCWVWGOXFNEEMQ-UHFFFAOYSA-N 310.844 4.676 30 20 DJED O/C(Cc1n[nH]c2ccccc12)=N/[C@H]1CCCCC12CCCC2 329608998 IVRKAXIKFQRSQD-KRWDZBQOSA-N 311.429 4.565 30 20 DJED CC(C)C1CCC(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 337978543 UQMVLLKCYLTDAM-NKELODKYSA-N 312.457 4.610 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)CCCc1cc(C)sc1C 348514034 ZCDFMQSBLQYMRP-UHFFFAOYSA-N 320.502 4.619 30 20 DJED C=CC[C@@H](Cc1ccccc1)NC(=O)c1sccc1C1CC1 413979189 ASIHURWNQIKDET-INIZCTEOSA-N 311.450 4.543 30 20 DJED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CCCC(C)(C)[C@H]1C#N 434018785 SFDLRWUVLRTMMC-SOLBZPMBSA-N 324.468 4.517 30 20 DJED N#CCN(C(=O)C1CCC(c2ccccc2)CC1)c1ccccc1 443857685 JQZMNHCUYGRSBN-UHFFFAOYSA-N 318.420 4.517 30 20 DJED N#C[C@@H]1CCC[C@@H](N[C@@H](Cc2ccccc2)c2ccccc2)C1 463295951 QOUDDLUGVCGKIY-NRSPTQNISA-N 304.437 4.642 30 20 DJED CC(=O)c1ccc(C#N)c(N[C@@H]2CC[C@H](c3ccccc3F)C2)c1 481085442 DRZZGYHFCZNSSV-DOTOQJQBSA-N 322.383 4.648 30 20 DJED CN(Cc1ccc(Cl)c(Cl)c1)Cc1ccc(C#N)s1 506753999 UHWXUPBQDDWOMR-UHFFFAOYSA-N 311.237 4.559 30 20 DJED N#Cc1ccc(NCCCCCOC2CCCCC2)c(F)c1 517665025 NJRYSHHJFDVGNG-UHFFFAOYSA-N 304.409 4.629 30 20 DJED C=CCCCCCN(C)C(=O)N[C@H](C)c1cc(C)sc1C 523564963 FEFJCWLMQVKDQF-CQSZACIVSA-N 308.491 4.814 30 20 DJED C=CCC(CC=C)C(=O)N1CCCC[C@H]1Cc1ccc(F)cc1 532071463 DUPQYHDGAZZYEA-IBGZPJMESA-N 315.432 4.518 30 20 DJED Cc1cc([C@@H](Nc2ncc(C#N)cc2Cl)C2CC2)ccc1F 535357049 BDSRXRYHJPOBLS-INIZCTEOSA-N 315.779 4.617 30 20 DJED C=C[C@H](CC(=O)N(C)c1cccc(SC)c1)c1ccccc1 535411179 PFOZHVBDHORPCB-OAHLLOKOSA-N 311.450 4.731 30 20 DJED C[C@@H](NCCSc1ccc(Cl)cc1)c1cccc(C#N)c1 537296697 FIXIJRFTBXNLBN-CYBMUJFWSA-N 316.857 4.655 30 20 DJED C=CC[C@@H](CC)NC(=O)N[C@H](C)c1cc2ccccc2s1 541782592 OIHGFVDYPQYSFM-TZMCWYRMSA-N 302.443 4.616 30 20 DJED Cc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)c(Cl)c1C 543974068 XWLLAHOMSYZFGP-UHFFFAOYSA-N 318.829 4.759 30 20 DJED C=CCC(C)(C)CN[C@H](C)c1ccc(OC(F)F)c(OC)c1 551241882 XBDLMAXUTCTRIF-GFCCVEGCSA-N 313.388 4.550 30 20 DJED C[C@H](NCc1ccc(OC2CCCC2)cc1)c1ccc(C#N)cc1 556295257 BKHAKFLSLYLEKS-INIZCTEOSA-N 320.436 4.730 30 20 DJED CC(C)(C#N)CCCNc1cc2c(cc1Br)CCC2 558588773 DRDHQMOAGPKSRE-UHFFFAOYSA-N 321.262 4.680 30 20 DJED C[C@@H](NCc1ccc(OC2CCCC2)cc1)c1cccc(C#N)c1 559954545 FTTCCLUQHIEZBO-MRXNPFEDSA-N 320.436 4.730 30 20 DJED Cc1cc(C(C)(C)C)cc(C)c1C[S@](=O)CCC(C)(C)C#N 564775097 SCXVSHGAAOVRFZ-JOCHJYFZSA-N 319.514 4.790 30 20 DJED C=CCSCc1ncc(-c2ccc(Br)cc2)o1 610315425 UFEDXJWUXYQXLQ-UHFFFAOYSA-N 310.216 4.523 30 20 DJED CC(=O)c1ccc(C#N)c(NCc2ccc(OC(C)(C)C)cc2)c1 680371886 PZNXIHMLGYPYHS-UHFFFAOYSA-N 322.408 4.550 30 20 DJED N#CCOc1cccc(/C=C\C(=O)c2ccc3ccccc3c2)c1 727744793 KWRKMKMFLJSCEX-FLIBITNWSA-N 313.356 4.638 30 20 DJED O=C(/C=C\c1cc(F)c(F)c(F)c1)c1nc2ccccc2s1 727975449 YEIURYAOIZUOBS-WAYWQWQTSA-N 319.307 4.610 30 20 DJED C#Cc1cccc(N(C(=S)Nc2cccc(C)c2C)C(C)C)c1 728226333 BYUSMWWYHJNOOS-UHFFFAOYSA-N 322.477 4.897 30 20 DJED O=C1/C(=C\c2cc3cc(F)ccc3o2)CCOc2ccccc21 741840935 HNQIQYRCLIBABM-BENRWUELSA-N 308.308 4.621 30 20 DJED CC1=C(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)CCC1 747210815 PZGNXPZWJXKWFZ-LBPRGKRZSA-N 316.813 4.626 30 20 DJED Cc1ccc(CCCC(=O)O[C@H](C)c2cccc(C#N)c2)s1 751176291 QLMXSHLQFAKNCD-CQSZACIVSA-N 313.422 4.555 30 20 DJED O=C(/C=C\c1nc(Cl)cs1)c1ccc2c(c1)CCCC2 759075207 JXIJIGZISFBVDL-FPLPWBNLSA-N 303.814 4.571 30 20 DJED Cc1sc(/C=C\c2cccc(OCCCC#N)c2)cc1C=O 760264669 LFZQDFSGNMUNRC-FPLPWBNLSA-N 311.406 4.722 30 20 DJED CCN(Cc1ccc(C(F)(F)F)cc1)CC(C)(C)CCC#N 768512860 QKMDRFJMIVZOAC-UHFFFAOYSA-N 312.379 4.857 30 20 DJED CSc1ccc(C(=O)/C=C\c2nc3c(s2)CCCC3)cc1 776263174 BNJVLOLKURUDOQ-KHPPLWFESA-N 315.463 4.640 30 20 DJED C[C@@H](c1ccccc1)N(CCC(C)(C)C#N)Cc1ccccc1O 776596524 GPIMGOMPDYNSEA-KRWDZBQOSA-N 322.452 4.895 30 20 DJED FC(F)(F)Oc1ccccc1NN=Cc1sccc1Cl 782281202 CBSVFZIRGJSPHV-UHFFFAOYSA-N 320.723 4.746 30 20 DJED C=C[C@H](CC(=O)Oc1ccc2cccnc2c1)c1ccccc1 791864081 VZMNJDAVPVFCAQ-OAHLLOKOSA-N 303.361 4.500 30 20 DJED CC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(C)cc1O 841761761 KWTAJHBFUAGCMI-PMACEKPBSA-N 320.436 4.691 30 20 DJED CCCCCCCCC(=O)Nc1ccc(NC(=O)CC)cc1 916089415 DWUVVOQHVBRPGS-UHFFFAOYSA-N 304.434 4.724 30 20 DJED Cc1ccc(C(=O)/C=C\c2ccccc2OC(F)F)c(C)c1 916155821 DKHVJQUYIJXZQS-NTMALXAHSA-N 302.320 4.801 30 20 DJED N#CCCCCN[C@H](Cc1ccc(F)cc1Cl)c1ccco1 924942026 KZMNBCKENKATOM-MRXNPFEDSA-N 320.795 4.639 30 20 DJED Cc1nsc(Oc2ccc(Cc3ccccc3)cc2)c1C#N 1162386055 XRMPIKNZVPUBDS-UHFFFAOYSA-N 306.390 4.706 30 20 DJED N#Cc1ccccc1CSc1nc2cccc(F)c2s1 1189986590 AODYKNCKIOCEKW-UHFFFAOYSA-N 300.383 4.599 30 20 DJED N#Cc1ccc(CN[C@@H]2CC=C(c3ccc(F)cc3)CC2)cc1F 1204984332 IPFQCMNOYVNCSL-LJQANCHMSA-N 324.374 4.562 30 20 DJED CC(C)(C)CN(CC(C)(C)C)C(=O)CC1(C#N)CCCCC1 1266985452 JASQGOHGWLJMOJ-UHFFFAOYSA-N 306.494 4.771 30 20 DJED CCCc1sc(C(=O)Nc2scc(C)c2C#N)cc1CC 1271967328 UHBIESMBQIVLQU-UHFFFAOYSA-N 318.467 4.757 30 20 DJED O=C(/C=C/c1ccc(N2CCCC2)cc1)c1ccccc1Cl 1318435405 OIXVSNGVWLBPIY-FMIVXFBMSA-N 311.812 4.836 30 20 DJED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)CC2CCCCC2)cc1 1318608811 ZJKFEYLQQOEVAU-KRWDZBQOSA-N 312.457 4.848 30 20 DJED COc1ccc(-c2nc(Nc3ccc(C#N)cc3)sc2C)cc1 1320974333 DODNUQZLOXWCNQ-UHFFFAOYSA-N 321.405 4.742 30 20 DJED C=C(C)CCOC(=O)c1csc(Cc2ccc(Cl)cc2)n1 1321938963 OBHUVKXPMBMHOT-UHFFFAOYSA-N 321.829 4.510 30 20 DJED N#Cc1ccc(CN2C[C@@H]3CCCC[C@]32c2ccccc2)s1 1323332216 WFJFCUZUCWCZRQ-LPHOPBHVSA-N 308.450 4.521 30 20 DJED C=CCC1(c2nnc([C@H](C)Oc3cccc(Cl)c3)o2)CCC1 1325833329 MWWARGQFRBPPFH-LBPRGKRZSA-N 318.804 4.861 30 20 DJED C=C(C)CCC(=O)Nc1c(F)cc(Cl)cc1Br 1339102548 YHGVVPPYPNKJFC-UHFFFAOYSA-N 320.589 4.536 30 20 DJED N#CC1(CC(=O)Nc2cccc(C(F)(F)F)c2)CCCCC1 1352394620 LTKJMLXOUMYKEH-UHFFFAOYSA-N 310.319 4.508 30 20 DJED N#Cc1ccc(C(=O)N(c2ccccc2)C2CCCCC2)s1 1355340988 DIJGRQGQFFTVNX-UHFFFAOYSA-N 310.422 4.599 30 20 DJED Cc1ccc([C@H](CC(F)(F)F)NCc2cccc(C#N)c2)cc1 1459905013 HXOXNAQAOAXHNC-KRWDZBQOSA-N 318.342 4.650 30 20 DJED CCN(Cc1ccc(CC#N)cc1)Cc1ccc2ccccc2c1 1473121722 WCPUUSZQBLPVAM-UHFFFAOYSA-N 314.432 4.928 30 20 DJED C[C@H](N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1ccc(C#N)cc1 1473390759 FYIPFDNFGHAURC-ZLGUVYLKSA-N 304.437 4.620 30 20 DJED N#Cc1cc(NC(=O)CCC2CCCCCC2)nc2ccccc12 1525651763 YWULSDJKOZUGBD-UHFFFAOYSA-N 321.424 4.796 30 20 DJED CCCC1(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 1528841239 PEKCLDFEJRENRL-UHFFFAOYSA-N 320.392 4.869 30 20 DJED CCCN(CC1(CC#N)CC1)[C@@H]1C[C@H](OCC)C12CCCCC2 1559573727 LDUNOVUYIHLENV-MSOLQXFVSA-N 318.505 4.520 30 20 DJED Cc1cc(CN[C@H]2c3ccccc3CC[C@@H]2C(C)C)ccc1C#N 1560433667 UGYIGVYCMLFZKE-IFMALSPDSA-N 318.464 4.916 30 20 DJED C[C@@H](CC(C)(C)C#N)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 1560790483 FZPBXAZEDRADKR-NOLJZWGESA-N 324.390 4.869 30 20 DJED CCCc1ccc(C(=O)N(C)[C@@H](C#N)c2ccc(CC)cc2)cc1 1584071546 JYVDYAQIJUXMED-FQEVSTJZSA-N 320.436 4.538 30 20 DJED Cc1cc(CN[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)ccc1C#N 1620971509 PHEQVNVIPHDZIN-FXAWDEMLSA-N 324.855 4.946 30 20 DJED Cc1ccc2sc(S[C@@H](C#N)Cc3ccccc3)nc2c1 1644240628 PHLCLDGXVYPWCI-CQSZACIVSA-N 310.447 4.832 30 20 DJED C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CCC1(C#N)CCCCC1 1644646275 SPAWQUSLBFHBKM-AEFFLSMTSA-N 314.448 4.868 30 20 DJED N#Cc1ccc(CN(Cc2ccsc2)c2ccccc2)s1 1652880546 HKMHFCRKLBYERY-UHFFFAOYSA-N 310.447 4.888 30 20 DJED CC(C)[C@@H]1CCCCCN1C(=O)Nc1ccc(C#N)cc1Cl 1669869064 FIGMLEPFLUSAKX-INIZCTEOSA-N 319.836 4.644 30 20 DJED CCCCCC[C@@H]1CCCC1=NNc1ccccc1C(=O)O 1776030133 FBMVVXPJVJFPEY-CQSZACIVSA-N 302.418 4.923 30 20 DJED CCCCCCC[C@H](CC(=O)O)NC/C(C)=C/c1ccccc1 1776782333 JSOLJFQXUVXJLJ-DQSGYLJSSA-N 317.473 4.883 30 20 DJED Cc1nn(-c2ccccc2)c(Cl)c1/C=C\C(=O)c1ccccc1 96562794 UUIBLEFZMRHXHR-SEYXRHQNSA-N 322.795 4.730 30 20 DJED CCCC(=O)Nc1cccc(N[C@H](C#N)C2CCCCC2)c1C 115606147 IHZAPMMMCKBHKY-GOSISDBHSA-N 313.445 4.618 30 20 DJED C[C@H](C#N)CSc1ccccc1NCc1c(F)cccc1F 182498817 IALCVSNFJUWDMG-GFCCVEGCSA-N 318.392 4.829 30 20 DJED Cc1cc(C)c(NC(=O)Nc2ccccc2O[C@@H](C)C#N)c(C)c1 183521949 ULRSWUILAHAORG-HNNXBMFYSA-N 323.396 4.547 30 20 DJED Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc(OC(C)C)cc1 186319196 XCGWNPFNGDITKZ-INIZCTEOSA-N 308.425 4.505 30 20 DJED N#Cc1cccc(C2(N[C@H]3CCSc4c(F)cccc43)CC2)c1 272331769 YANRFUYIRXUOQV-KRWDZBQOSA-N 324.424 4.513 30 20 DJED Cc1cccc([C@@H](Nc2cccc(F)c2C#N)c2ccccn2)c1 301889150 NHWOXDSFAFYLKD-HXUWFJFHSA-N 317.367 4.602 30 20 DJED COc1cc(Cl)ccc1[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 421824970 LDTIEVNQQJPAAF-STQMWFEESA-N 314.816 4.632 30 20 DJED C=CCCCCCN(C)C(=O)c1c[nH]cc1-c1ccccc1F 426774220 SWZQHQMSUSYASJ-UHFFFAOYSA-N 314.404 4.639 30 20 DJED N#CCc1ccc(NCc2ccc(F)c(Cl)c2Cl)cc1 432238349 PSVXCUBUSAZZIN-UHFFFAOYSA-N 309.171 4.811 30 20 DJED CC[C@@H](C)[C@@H](C(=O)Nc1cccc(C#N)c1C)c1ccccc1 432835939 KHELWPHBCFOLSS-AUUYWEPGSA-N 306.409 4.635 30 20 DJED C=CC[C@H]1N(C(=O)Nc2ccccc2Cl)CCCC1(C)C 436096872 GKVOIYDKCOKFSX-OAHLLOKOSA-N 306.837 4.939 30 20 DJED Cc1cc(CNc2ccc(F)cc2C#N)c2[nH]c(C)c(C)c2c1 462374591 APMRQRJLRXQMIA-UHFFFAOYSA-N 307.372 4.716 30 20 DJED C[C@H](N[C@H](C)C1CCC(C(F)(F)F)CC1)c1ccc(C#N)cc1 474481108 UFBSLQNGSJGZOJ-IQFARLITSA-N 324.390 4.966 30 20 DJED C=C(C)[C@@H](NC(=O)CC1=CCCCC1)c1ccc(F)c(F)c1 475670327 GNWUZJWNVOBSTK-GOSISDBHSA-N 305.368 4.589 30 20 DJED CC(C)CN(CC(C)(C)C)C(=O)C[C@@H](CC#N)c1ccccc1 476352732 IUMALFBMIKPHMR-GOSISDBHSA-N 314.473 4.605 30 20 DJED CSc1cccc(C)c1NC(=O)C[C@H](CC#N)c1ccccc1 476733742 SSUXXNNZZGRZKL-INIZCTEOSA-N 324.449 4.743 30 20 DJED C=C1CCN(Cc2nc(-c3ccccc3Cl)cs2)CC1 480778476 HQXLXUMUZVUOCH-UHFFFAOYSA-N 304.846 4.616 30 20 DJED C[C@@H](NCc1ccc(Cl)cc1C#N)c1c(F)cccc1Cl 480882980 ZQMLDDHCSGRBSA-SNVBAGLBSA-N 323.198 4.855 30 20 DJED CC(C)(C#N)c1ccccc1COc1ccccc1OC(F)F 486904713 ZFUASJZTXNCFDU-UHFFFAOYSA-N 317.335 4.668 30 20 DJED C=CCC[C@@H](C(=O)N(C)Cc1ccc(C)s1)c1ccccc1 488355257 MHWAZRZDGZDIAL-GOSISDBHSA-N 313.466 4.765 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1cccc(Cl)c1OC(C)C 488500705 FYOAHCXJQVASNN-ZDUSSCGKSA-N 322.836 4.700 30 20 DJED C=C[C@@H]1CCCCN1C(=O)N[C@@H](CC)c1ccc(Cl)s1 495206885 AISOKOXVRJMGCB-NEPJUHHUSA-N 312.866 4.603 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)[C@@H](c1ccccc1)C1CC1 499634444 JNVRPVUMZDBNRH-FQEVSTJZSA-N 323.411 4.534 30 20 DJED C[C@H](NC(=O)Nc1cccc(C#N)c1)c1cc2ccccc2s1 502068974 DDIFUTLFTAHHMA-LBPRGKRZSA-N 321.405 4.656 30 20 DJED CCCc1sc(C(=O)N(CCC#N)CCC(C)C)cc1CC 505213575 OJBPVCORCVNPBL-UHFFFAOYSA-N 320.502 4.665 30 20 DJED C=C(C)CCc1noc([C@H](C)CSc2ccc(F)cc2)n1 508686437 MWYBVYPFWKPOFZ-GFCCVEGCSA-N 306.406 4.613 30 20 DJED C=CCCO[C@@H](C)C(=O)Nc1ccccc1SC1CCCC1 519102646 NANDOBQEJILFSC-AWEZNQCLSA-N 319.470 4.641 30 20 DJED N#CCCCN[C@H](c1ccccc1)c1cc(Cl)ccc1Cl 542321383 HZIVATGIHWWJCE-QGZVFWFLSA-N 319.235 4.976 30 20 DJED CC(C)c1ccc(C(=O)N[C@H](C#N)c2ccccc2Cl)s1 544848717 GCWBEWXLIKUZSY-CYBMUJFWSA-N 318.829 4.520 30 20 DJED COc1cc(CN[C@@H](c2ccccc2)C2CCCC2)ccc1C#N 581280537 UMPPZKDNMQTNKU-NRFANRHFSA-N 320.436 4.588 30 20 DJED C=CCC1(NC(=O)Nc2ccccc2CSC)CCCC1 596842955 QOQZXUCDZOJCFY-UHFFFAOYSA-N 304.459 4.560 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1cc2ccncc2s1 596983480 AIXCLBPLBTWLDI-UHFFFAOYSA-N 321.449 4.580 30 20 DJED CC[C@@H](C)Sc1ccc(NC(=O)NCC(C)(C)C#N)c(C)c1 611621021 DRMIFIGAPGXIAC-CYBMUJFWSA-N 319.474 4.557 30 20 DJED CCCCCC[C@@H]1CCCC1=NNc1ccc([N+](=O)[O-])cn1 728156257 DLCMJSPDZRSSTQ-CYBMUJFWSA-N 304.394 4.528 30 20 DJED CC(C)c1cccc(NC(=S)Nc2ccc(F)c(C#N)c2)c1 728175942 FQBZVIRYCVLWAR-UHFFFAOYSA-N 313.401 4.630 30 20 DJED O=C1/C(=C\c2coc(-c3ccccc3)n2)CCc2cc(F)ccc21 749893280 FGAGZADYHZZHDL-PTNGSMBKSA-N 319.335 4.693 30 20 DJED Cc1cc(C(=O)/C=C/c2ccc(Cl)nc2Cl)c(C)s1 761476740 KCEJXWPKSUGJSI-HWKANZROSA-N 312.221 4.963 30 20 DJED Cc1cncc(C(=O)/C=C\c2cc(C)c(OC(F)F)c(C)c2)c1 767365440 CGZJLPJFWDVEJC-PLNGDYQASA-N 317.335 4.504 30 20 DJED COc1ccc(-c2ccccc2)cc1/C=C/C(=O)c1ccncc1 776188102 HWNCDEIZIPEAQH-VQHVLOKHSA-N 315.372 4.653 30 20 DJED CC(C)(C#N)CCOC(=O)c1ccc(-c2ccccc2Cl)o1 776362750 RUPMPSXQXQMLBX-UHFFFAOYSA-N 317.772 4.697 30 20 DJED N#CCc1ccc(CSc2nnc(-c3ccccc3)s2)cc1 783721292 WRIWTAQXDMYMGL-UHFFFAOYSA-N 323.446 4.563 30 20 DJED Clc1ccc(NN=Cc2cscc2Br)cc1 794857404 ZCSQPYGNYHBUTA-UHFFFAOYSA-N 315.623 4.610 30 20 DJED CCC(CC)[C@@H](C)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797567933 CSBYWCIWVBFNHD-DGCLKSJQSA-N 306.475 4.689 30 20 DJED C=C(C)C(C)(C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 819947820 QPEZIDKDFZHYSH-LLVKDONJSA-N 318.829 4.728 30 20 DJED CCCCCCCC(=O)Nc1nc(-c2ccncc2)cs1 825116984 XWUIBLVJKCSMSS-UHFFFAOYSA-N 303.431 4.504 30 20 DJED C=C(CC)CNC(=S)Nc1c(Cl)ccc(C)c1Cl 840826933 XYUHFVKPIRRTSX-UHFFFAOYSA-N 303.258 4.554 30 20 DJED C[C@H](ON=C1CCC1)c1nnc(-c2ccc3ccccc3c2)o1 871733935 SZKAZOBJUFZCME-LBPRGKRZSA-N 307.353 4.507 30 20 DJED CCCCCCCC(=O)N[C@H](c1ccc(OC)cc1)C1CC1 888757204 MJKGBNKCPFMYPE-IBGZPJMESA-N 303.446 4.623 30 20 DJED C=CCCCCC[C@H](C)N[C@H](C(=O)O)c1ccc(C)c(C)c1 901846168 UEFNJWIELAZGPH-WMZOPIPTSA-N 303.446 4.544 30 20 DJED Cc1ccc(/C=C/C(=O)c2sccc2Br)cc1 915113027 LSQPYVUIEYAQOL-VOTSOKGWSA-N 307.212 4.715 30 20 DJED CCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 916133869 QKJYZQPLZWIQCK-XYOKQWHBSA-N 310.393 4.552 30 20 DJED C[C@@H](OC(=O)c1cccc(CC#N)c1)c1ccc2ccccc2c1 919311568 BWHVFRMXXIGPER-OAHLLOKOSA-N 315.372 4.824 30 20 DJED N#Cc1ccc(N[C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)nc1 1163531855 VGGFEPAJIZRECA-WBVHZDCISA-N 311.816 4.745 30 20 DJED C[C@@H](NCc1ccc(F)c(C#N)c1)C1(c2ccccc2)CCCC1 1169383893 URIURYALFVSHQQ-MRXNPFEDSA-N 322.427 4.687 30 20 DJED C=C(CNC(=O)NCC(C)(C)C1CCCCC1)c1ccccc1 1230558625 AFCNPPNQDSEYHJ-UHFFFAOYSA-N 314.473 4.606 30 20 DJED CCCN(Cc1ccc(C)cc1)C(=O)CC1(C#N)CCCCC1 1264253864 RSOLVTPUTOQQSW-UHFFFAOYSA-N 312.457 4.598 30 20 DJED Cc1nsc(NCC2CCC(c3ccccc3)CC2)c1C#N 1306962513 IMUJFQNRKRVOHS-UHFFFAOYSA-N 311.454 4.709 30 20 DJED Cc1cccc(C)c1CN(Cc1ccc(C#N)s1)CC(C)C 1307870315 MGQAKEZOMNKVEF-UHFFFAOYSA-N 312.482 4.895 30 20 DJED C[C@@H](NC(=O)CC#Cc1ccccc1)c1cc2ccccc2s1 1320941638 XZCQQMFESOAGIY-OAHLLOKOSA-N 319.429 4.520 30 20 DJED Cc1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)c(F)c1Cl 1435508731 NKAFHYIANYCRBQ-NSHDSACASA-N 317.747 4.577 30 20 DJED CC(C)CCC(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@H]2C 1436482538 KNKOBKJKRSVPAK-VXGBXAGGSA-N 304.459 4.680 30 20 DJED CC(C)(C)c1cc(NC(=O)CC2CCCCC2)c(C#N)s1 1458457845 YGKLWTWUGAMVLP-UHFFFAOYSA-N 304.459 4.826 30 20 DJED C[C@@H]1c2c(sc(NC(=O)[C@H]3CC[C@@H](C)C3)c2C#N)CC[C@H]1C 1524020337 HFQRRIAZGFPBTK-NDBYEHHHSA-N 316.470 4.680 30 20 DJED CCN(C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1)[C@@H](C)C#N 1530027101 VVIMGZPCGAGXOH-AWEZNQCLSA-N 324.424 4.618 30 20 DJED Cc1cc(C#N)ccc1CSc1nc2cccc(F)c2s1 1559458031 PBGOEAGHIWDLKZ-UHFFFAOYSA-N 314.410 4.908 30 20 DJED CCc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ccc(C#N)s2)o1 1641888078 ZKHQCIAEQDGJCM-GUYCJALGSA-N 314.454 4.748 30 20 DJED C[C@@]1(Cc2ccccc2)CCCN1Cc1ccc(C#N)cc1Cl 1642617303 LVFNNOQZIQSPLW-FQEVSTJZSA-N 324.855 4.809 30 20 DJED C=C(Br)CN1CCCSc2cc(Cl)ccc21 1644161731 QCCUKESEUWHPOM-UHFFFAOYSA-N 318.667 4.551 30 20 DJED N#C[C@@H]1CCCN(Cc2ccc(Sc3ccccc3)cc2)C1 1653090821 DVVGGOJKPIGGQR-KRWDZBQOSA-N 308.450 4.573 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCc2ccccc2C1(C)C 1659112236 BGQATEIGVCJFIO-UHFFFAOYSA-N 318.464 4.781 30 20 DJED CC(C)CCN(C(=O)Nc1ccc(C#N)c(F)c1)C1CCCC1 1662466799 ITWSCYCQPIRZLO-UHFFFAOYSA-N 317.408 4.520 30 20 DJED CCCCc1ccc(C(=O)/C=C/c2ccc(NC(C)=O)cc2)cc1 7717264 QMCOBCNKNNZASL-XNTDXEJSSA-N 321.420 4.884 30 20 DJED Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)c1cccc(F)c1 28942030 UMFAIJHDMILQPB-VAWYXSNFSA-N 320.367 4.524 30 20 DJED N#Cc1ccc(Cl)cc1NCc1ccc(Br)cc1 36954233 KWFSILCXCUCOLL-UHFFFAOYSA-N 321.605 4.586 30 20 DJED C=CCC[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 182043328 WLDSWQIAAOCIDB-UWJYYQICSA-N 320.436 4.947 30 20 DJED C=C(C)[C@@H](NCc1cccc2[nH]ccc12)c1ccc(F)c(F)c1 187369965 IODPCFZGNFQEHM-LJQANCHMSA-N 312.363 4.853 30 20 DJED C=C(C)[C@@H](NCc1ccc(COC)cc1)c1ccc(F)c(F)c1 187372903 SZRBYJCTKUPGJX-LJQANCHMSA-N 317.379 4.518 30 20 DJED CCC[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 192999059 OCMVBZYTMXOVGD-OXQOHEQNSA-N 308.425 4.781 30 20 DJED N#Cc1cccc(COc2cccc(CNc3ccccc3)c2)c1 237849136 QXFVPJCZEKLOLV-UHFFFAOYSA-N 314.388 4.749 30 20 DJED Cc1coc(C)c1C(=O)Nc1ccccc1S[C@@H](C)CC#N 284078838 SGWRIVBDKMTIMO-LBPRGKRZSA-N 314.410 4.543 30 20 DJED C[C@@H](c1cccc(Cl)c1)N(C)c1nc(Cl)c(C#N)s1 311834846 MIYQHQZQAVWLER-QMMMGPOBSA-N 312.225 4.519 30 20 DJED C[C@H](CC(C)(C)c1ccccc1)Nc1ccc(OCC#N)cc1 319831300 LCCKGTXSZHXVEG-MRXNPFEDSA-N 308.425 4.757 30 20 DJED CC[C@@H]1CCCC[C@@H]1C(O)=Nc1nc(C2CCOCC2)cs1 329183264 FMISQSOBZPGACN-OCCSQVGLSA-N 322.474 4.842 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc(C(F)F)c1 425530430 FMZGWTBIVPBXGI-ZDUSSCGKSA-N 300.352 4.689 30 20 DJED CCCc1csc(CN(CC)[C@H](C)c2ccc(C#N)cc2)n1 426030522 UMBWVLBSXBNQLN-CQSZACIVSA-N 313.470 4.550 30 20 DJED C=CCN(Cc1ccccc1)Cc1ncc(-c2ccc(C)cc2)o1 441271465 YBGHNRAYVXSKPZ-UHFFFAOYSA-N 318.420 4.838 30 20 DJED C[C@@H](CNCc1cc(C#N)cs1)c1ccc(C(F)(F)F)cc1 443002380 UDUHZPSSXKSKDT-NSHDSACASA-N 324.371 4.532 30 20 DJED CC[C@H](N[C@H]1CCc2c(Cl)cccc21)c1ccc(C#N)cc1 447525658 AQAANQCBBZJRDM-OALUTQOASA-N 310.828 4.940 30 20 DJED CC(C)C[C@H]1CCCCCN1C(=O)Nc1cccc(CC#N)c1 455925243 XBNQOKYHXRDHCW-GOSISDBHSA-N 313.445 4.575 30 20 DJED Cc1ccc(-c2nc(CNc3cc(C#N)ccc3C)cs2)o1 462234145 SHXXVONFRGWINL-UHFFFAOYSA-N 309.394 4.504 30 20 DJED C=CC[C@@H](CC)NC(=O)N1CCC[C@H]1c1cc(C)ccc1C 466397706 VASQJWWAXGFDQT-AEFFLSMTSA-N 300.446 4.505 30 20 DJED CC#CCCCC(=O)N1CCCCC[C@H]1/C=C\c1ccccc1 466657478 MJEHBHUIGUXSBT-DHQBXBPASA-N 309.453 4.665 30 20 DJED CC(C)(C#N)CCCNC1(c2cccc(C(F)(F)F)c2)CC1 472234609 WBWGNEKGAYXADP-UHFFFAOYSA-N 310.363 4.614 30 20 DJED CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)c1cccc(C)c1C 475124150 ZZFLYVNFOBONFF-UHFFFAOYSA-N 320.436 4.771 30 20 DJED C=CCCC1(C(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)CC1 476292453 XLKZGPHWFVLICC-QFIPXVFZSA-N 323.480 4.630 30 20 DJED C=CCOc1ccccc1CN[C@@H](C)c1ccccc1OCC 482862933 FFYYDTJBJSQTGE-INIZCTEOSA-N 311.425 4.501 30 20 DJED CCc1cc(C#N)c(NC(=O)[C@H](C)CC2CCCCC2)s1 510505403 XNBUWQKCJXROAF-GFCCVEGCSA-N 304.459 4.727 30 20 DJED Cc1cccc(C2(NCc3cccc(C#N)c3F)CCCC2)c1 537048163 OOMLWGOAEHEZRY-UHFFFAOYSA-N 308.400 4.565 30 20 DJED Cc1ccccc1[C@H](CC(C)C)NCc1cc(C#N)ccc1F 538159989 YKRZHUJLQPRWPC-FQEVSTJZSA-N 310.416 4.883 30 20 DJED C[C@H](NCc1ccc(F)c(C#N)c1)c1ccccc1C(F)(F)F 539342934 MMCLRFSWLNWXHK-NSHDSACASA-N 322.305 4.567 30 20 DJED C=CC1CCN(C(=O)CCCc2ccc3ccccc3c2)CC1 540500313 RQKGBZZMKPNWBB-UHFFFAOYSA-N 307.437 4.587 30 20 DJED N#C[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 549997608 NHSWYEIGSTUNIN-ISWURRPUSA-N 322.374 4.623 30 20 DJED C=CCC(C)(C)c1noc([C@H](C)CSc2ccccc2)n1 551138310 QLCHMVWQSXGFGK-CYBMUJFWSA-N 302.443 4.819 30 20 DJED C=CCC[C@H](NCc1ccc(CSC)cc1)c1ccco1 552339679 DAZNJSDFZULZSC-KRWDZBQOSA-N 301.455 4.940 30 20 DJED CC(C)c1ccc2occ(C(=O)N3CCCC(C)(C)[C@@H]3C#N)c2c1 553205740 ZZRPAUDMJMTWJV-SFHVURJKSA-N 324.424 4.711 30 20 DJED CC(C)CC[C@@H](NC[C@@H](C#N)CCC#N)c1ccc(Cl)cc1 571790207 CNAHNQQUXDJUDT-CRAIPNDOSA-N 317.864 4.850 30 20 DJED CCc1cccc(NC(=O)c2ccc(Cl)c(C#N)c2)c1CC 584505610 SJSDRGWIWORPOG-UHFFFAOYSA-N 312.800 4.589 30 20 DJED N#Cc1ccc(F)c(CN2CCC[C@@H]2c2ccc(Cl)cc2)c1 603497630 YKWGXBPINGOXOK-GOSISDBHSA-N 314.791 4.688 30 20 DJED CCCC[C@H](CC)CC(=O)Nc1cc(C#N)ccc1OC(F)F 609754939 QIHJCQGDPJVSKK-LBPRGKRZSA-N 324.371 4.705 30 20 DJED CCS[C@@H]1CCC[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1 611394041 ZCWYTWODECEMCI-ZHALLVOQSA-N 314.498 4.590 30 20 DJED C[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1cccc(C#N)c1 619508398 OYPJOXHGRNWTOK-QVKFZJNVSA-N 315.420 4.548 30 20 DJED C=CCN(C(=O)c1cc2c(C)cc(C)nc2s1)c1ccccc1 641896780 ASFBNFWYFXWZBP-UHFFFAOYSA-N 322.433 4.746 30 20 DJED CCOc1ccc(/C=C\C(=O)c2sccc2C)cc1OCC 733748766 JAESFUDCRPBWIP-VURMDHGXSA-N 316.422 4.750 30 20 DJED Cc1ccc(-c2nc(/C=C3\CCc4ccccc4C3=O)co2)cc1 748440637 LMQDBVCLQAQEJW-SFQUDFHCSA-N 315.372 4.863 30 20 DJED CCc1ccc(C(=O)/C=C/c2cnc(-c3ccccc3)s2)o1 752237917 KDFYSBSARCSGMK-MDZDMXLPSA-N 309.390 4.862 30 20 DJED C#CCCCCC(=O)Nc1ccccc1COC(C)(C)CC 754583655 WBNSUMICVJCTFW-UHFFFAOYSA-N 301.430 4.524 30 20 DJED O=C(/C=C/c1nc(Cl)cs1)c1cccc(Cl)c1Cl 759081970 AUHVTXFKVDFRAU-SNAWJCMRSA-N 318.612 4.999 30 20 DJED Cc1cncc(C(=O)/C=C\c2ccc(-c3ccccc3F)o2)c1 767368255 VGCRFKCMDGKKMM-VURMDHGXSA-N 307.324 4.685 30 20 DJED CCOc1ccc(N[C@@H](C)c2cccc(C#N)c2)c2ncccc12 768258472 VDWYPXZIVJGARY-AWEZNQCLSA-N 317.392 4.678 30 20 DJED COc1cc(C(C)=NNc2c(C)cccc2F)ccc1SC 769840022 GVHYKNPSUKHVRA-UHFFFAOYSA-N 318.417 4.701 30 20 DJED CC(C)CC(CC(C)C)N[C@H](C)c1ccc(OCC#N)cc1 772959285 KGSLEPYRUIOHOE-MRXNPFEDSA-N 302.462 4.700 30 20 DJED O=C1/C(=C/c2ccc([N+](=O)[O-])c(Cl)c2)CCc2sccc21 774139388 PZXWKICMAOMANB-JXMROGBWSA-N 319.769 4.522 30 20 DJED CC(C)(C)c1cc(NC(=O)/C=C\c2cccs2)c(C#N)s1 774166258 YUGANVSGUZFAGY-SREVYHEPSA-N 316.451 4.631 30 20 DJED Cc1cc(F)ccc1-c1ccc(/C=C\C(=O)c2ccncc2)o1 776188421 OETWMTDMLADAGY-UTCJRWHESA-N 307.324 4.685 30 20 DJED Fc1ccc(C2=CCC(=NOCCC(F)(F)F)CC2)cc1 777455863 MRKDFCHOJPTOBG-UHFFFAOYSA-N 301.283 4.718 30 20 DJED CSCc1ccc(N[C@@H](C)c2ccc(C#N)c(F)c2)cc1 777674059 WRKWRIBCQZVBPU-LBPRGKRZSA-N 300.402 4.733 30 20 DJED C#CCCCCCC(=O)Nc1ccc(OC(C)C)cc1Cl 781761196 VTOQKHHAITYQFA-UHFFFAOYSA-N 307.821 4.649 30 20 DJED O=C(/C=C/c1cccc(-c2cccnc2)c1)c1ccnc(Cl)c1 782193695 HCIMPCNXYHNTAK-VOTSOKGWSA-N 320.779 4.693 30 20 DJED Cc1cccnc1NN=Cc1c(Cl)cccc1SC(C)C 790193165 WJEVTHQBXLMVFF-UHFFFAOYSA-N 319.861 4.990 30 20 DJED CCc1ccc(N[C@@H](C)c2ccc(OCC#N)cc2)cc1Cl 797102983 LIVHIHDWQQQPJK-ZDUSSCGKSA-N 314.816 4.978 30 20 DJED CCCCC[C@H](NC(=O)c1cc(C#N)oc1C)c1ccccc1 797857394 STKBVXJNGKSTDR-SFHVURJKSA-N 310.397 4.511 30 20 DJED C#Cc1ccc(CN[C@@H](C)c2cc3cccc(OCC)c3o2)cc1 809603016 HEADSCIOORSQML-HNNXBMFYSA-N 319.404 4.664 30 20 DJED C=CCC(F)(F)C(=O)Nc1ccccc1Nc1ccccc1 815858818 IDVFDPNFXIZVIZ-UHFFFAOYSA-N 302.324 4.580 30 20 DJED C[C@@H](CC(C)(C)C#N)OC(=O)c1csc(C2CCCCC2)n1 851205950 MVPHJRSWOKJVIX-LBPRGKRZSA-N 320.458 4.676 30 20 DJED CCCCCCCCCN(C)C(=O)Nc1cccc(N)c1C 859731090 XBVPDVCWQZWLOD-UHFFFAOYSA-N 305.466 4.792 30 20 DJED C[C@H](Nc1ccc(OC(C)(C)C)c(C#N)c1)c1cccc(C#N)c1 864017892 ISRPCVBQKHMADA-AWEZNQCLSA-N 319.408 4.780 30 20 DJED CC(=NNc1ccc(Cl)c(Cl)c1)c1cccc(C#N)c1 915934241 WQAIEBOWJOOCNV-UHFFFAOYSA-N 304.180 4.701 30 20 DJED CC(=NNc1nc(-c2ccccc2)cs1)c1ccc(C#N)cc1 916545761 XTNDOOJVDSRARG-UHFFFAOYSA-N 318.405 4.518 30 20 DJED N#Cc1cnc(NC[C@H]2CCC[C@@H]2c2ccccc2)c(Cl)c1 1163383708 LHKYLDIWVHNDHR-HZPDHXFCSA-N 311.816 4.602 30 20 DJED C[C@@H]1CCc2sc(NC(=O)C(C)(C)C3CC3)c(C#N)c2[C@@H]1C 1274492571 ORWCKFJRZWLJLR-GHMZBOCLSA-N 316.470 4.680 30 20 DJED CC(C)c1nc(N[C@H](C)c2cccc(C#N)c2)cc(C(C)(C)C)n1 1307206228 GFDKXVWCWIMEHK-CQSZACIVSA-N 322.456 4.942 30 20 DJED C[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCCC1 1310044752 ZOQKFEBDHGOTSG-GFCCVEGCSA-N 319.836 4.692 30 20 DJED CC(C)c1ocnc1CSCc1ccc(C#N)cc1Cl 1327207883 BRWHNGQMGNGCFP-UHFFFAOYSA-N 306.818 4.756 30 20 DJED CCCCC/C(C=NNCC1CCOCC1)=C\c1ccccc1 1339161072 HWCARYVMFNDYPN-ZUCJBPHNSA-N 314.473 4.652 30 20 DJED CC(C)(C)C1CCC(CC(=O)N(C2CC2)C2(C#N)CCC2)CC1 1435931806 ZFZDNXLTVQALCD-UHFFFAOYSA-N 316.489 4.666 30 20 DJED CCN(c1ccnc(C#N)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 1458181840 SFNNOYFKMZEGPY-LBPRGKRZSA-N 319.330 4.560 30 20 DJED Cc1nsc(N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)c1C#N 1458438605 DJEGSFZWYAXRFY-JSGCOSHPSA-N 317.845 4.725 30 20 DJED Cc1ccccc1[C@@H](Nc1ccnc(C#N)n1)C1CCC(C)CC1 1458468348 JIXUIRSKCGTJNT-SGHGTVFPSA-N 320.440 4.636 30 20 DJED CC(C)(CN[C@@H]1CCC[C@H](C#N)C1)c1ccc2ccccc2c1 1474651171 GMSVQOSVHYDBFG-OXJNMPFZSA-N 306.453 4.789 30 20 DJED N#Cc1cc(C(=O)N[C@@H](CC2CCCC2)c2ccccc2)cs1 1520082714 AYTFDQLZCCHQEX-SFHVURJKSA-N 324.449 4.671 30 20 DJED C[C@@H](OC(=O)c1ccc(C(C)(C)C)s1)c1cccc(C#N)c1 1525572482 VUGLWBSIVNAPDP-GFCCVEGCSA-N 313.422 4.835 30 20 DJED CC[C@H](C)c1ccc([C@H](NCc2cc(C#N)ccn2)C(C)C)cc1 1559630020 CGGXYVKJZDKKCP-HRAATJIYSA-N 321.468 4.954 30 20 DJED N#CCc1ccc(CN2C[C@@H]3CCCC[C@@]32c2ccccc2)cc1 1615910179 LVMZHJRQROUJKE-FCHUYYIVSA-N 316.448 4.654 30 20 DJED C[C@@H]1CC(C)(C)C[C@H]1Nc1ccc(Oc2ccnc(C#N)c2)cc1 1620956161 JTUMOZAIENNTTQ-AUUYWEPGSA-N 321.424 4.982 30 20 DJED C[C@@H](Nc1cccc(F)c1C#N)c1ccc(F)cc1OC(F)F 1639733424 SAAULAAHCGEEKH-SECBINFHSA-N 324.277 4.611 30 20 DJED CC(C)c1ccc2ncnc(Nc3cccc(CC#N)c3)c2c1 1639923980 BHMFPTPNMQEOCP-UHFFFAOYSA-N 302.381 4.563 30 20 DJED Cc1c(C#N)c(SC[C@H]2CCCC[C@H]2C)nc2c1CCC2 1656127661 PVPZMHNPZXLVBT-TZMCWYRMSA-N 300.471 4.669 30 20 DJED C[C@H](Cc1ccccc1Cl)N[C@H]1CCCc2cc(C#N)ccc21 1659475770 QKMNCWZYPIHRAD-VLIAUNLRSA-N 324.855 4.810 30 20 DJED CC[C@H](CC#N)NC(=O)Nc1ccccc1-c1ccc(C)s1 1672374196 NTTQWGVBCAWQSQ-CYBMUJFWSA-N 313.426 4.537 30 20 DJED O=C(O)c1cccc(C=NN(c2ccccc2)c2ccccc2)c1 1776032545 XJEFAIUQMUIHHX-UHFFFAOYSA-N 316.360 4.557 30 20 DJED CC[C@H](C)CON=Cc1ccc(-c2ccc(C(=O)O)cc2)s1 1776112348 HKCQLOHXOZRMHZ-LBPRGKRZSA-N 317.410 4.510 30 20 DJED Cc1ccc(C(=O)/C=C\c2cc(C(=O)O)c(C)cc2C)c(C)c1 1776132697 BVXLHIGVHCFAEX-VURMDHGXSA-N 308.377 4.515 30 20 DJED CC[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(N(C)C)cc1 90665337 JOLIQPQOLGHCKC-SFTDATJTSA-N 321.468 4.838 30 20 DJED C=C1CCN(C(=O)c2ccccc2Nc2cccc(C)c2C)CC1 111073707 AYRMMNDKZWKBRZ-UHFFFAOYSA-N 320.436 4.839 30 20 DJED Cc1nc(C(C)C)sc1[C@@H](C)N(C)Cc1ccccc1C#N 120976558 JPGBGOFFLPEADN-CQSZACIVSA-N 313.470 4.640 30 20 DJED C#CCOc1ccc([C@H](C)N[C@@H]2CCSc3ccccc32)cc1 155396708 GSMQVVDIEPQFFM-HNAYVOBHSA-N 323.461 4.586 30 20 DJED N#Cc1csc(/C=C(\Cl)c2nc3cc(F)c(F)cc3[nH]2)c1 176842754 VCBCOAJTTBLKKP-MBXJOHMKSA-N 321.739 4.511 30 20 DJED C[C@@H](SCc1cc(C#N)ccc1F)c1nc2ccccc2o1 183466067 NPSVKPQXEBMQNC-LLVKDONJSA-N 312.369 4.833 30 20 DJED C[C@H](NCc1cccc(C#N)c1F)c1ccc(Cl)cc1Cl 219525687 WEUDHXVYCHQEFN-JTQLQIEISA-N 323.198 4.855 30 20 DJED C/C(O)=N/C1CCC(/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 329034074 YCLRLULLHPAGOB-VLMYXLFRSA-N 320.477 4.837 30 20 DJED CC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 341711658 PHITWCBBZREDEA-VQTJNVASSA-N 308.400 4.816 30 20 DJED C=CCCC1(C(=O)Nc2cccc(Oc3ccncc3)c2)CC1 355983080 FXBZBVMJNJLLJJ-UHFFFAOYSA-N 308.381 4.559 30 20 DJED COCCCC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 359027745 JYVIMWKKWPAIGV-UWJYYQICSA-N 322.452 4.767 30 20 DJED N#CCCC[C@@H](NC[C@H]1CCCC(F)(F)C1)c1ccccc1 433025722 AXDMMZSVRAEPKV-DOTOQJQBSA-N 306.400 4.837 30 20 DJED CC(C)(C#N)CCCC[S@@](=O)Cc1ccccc1C1CC1 435424564 AMGLNNPBJRJXAG-OAQYLSRUSA-N 303.471 4.533 30 20 DJED C=CCOCCCC(=O)N(c1ccccc1)[C@@H](C)c1ccccc1 443883947 ZYPWAQFXDYGPQN-SFHVURJKSA-N 323.436 4.764 30 20 DJED C=CCCOCCCCC(=O)N1CC[C@@H](C)C2(CCCCC2)C1 463043359 NKSQEEAQYSFCCO-GOSISDBHSA-N 321.505 4.568 30 20 DJED C=CCOCCCC(=O)Nc1ccc(SC2CCCC2)cc1 463409643 LOVLIQCPGQAODN-UHFFFAOYSA-N 319.470 4.643 30 20 DJED COc1ccc(Cl)cc1[C@H](CC(C)C)N[C@H]1CC[C@@H](C#N)C1 471599456 SJDVKEZYCUEKHL-KMFMINBZSA-N 320.864 4.718 30 20 DJED CC(C)CN(C(=O)C[C@H](CC#N)c1ccccc1)C1CCCC1 475373475 DOZZELZVMRCNEC-SFHVURJKSA-N 312.457 4.501 30 20 DJED C[C@H](SCc1ccn(C2CCCC2)n1)c1ccc(C#N)cc1 477364063 VVLQTCJNWDOJOX-AWEZNQCLSA-N 311.454 4.864 30 20 DJED C=C(C)[C@H](NC(=O)N1[C@@H](C)CC[C@@H]1CC)c1ccc(F)c(F)c1 483317620 YMSMVKWARHZYJI-JDFRZJQESA-N 322.399 4.555 30 20 DJED C=CCC[C@@H](C(=O)Nc1nc(C2CC2)cs1)c1ccccc1 488620886 JUDYSUIMCMHZFC-OAHLLOKOSA-N 312.438 4.709 30 20 DJED C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 488867800 XXHRBGLZWJKHLC-BPLDGKMQSA-N 324.251 4.664 30 20 DJED Cc1ccccc1[C@H](C(C)C)N(C)C(=O)Nc1ccc(C#N)cc1 489616603 ADPSNIZOOHKPNS-IBGZPJMESA-N 321.424 4.728 30 20 DJED CCc1cc(C#N)c(NC(=O)CC2CC(c3ccccc3)C2)s1 507917293 IXBXHQWQQWCOPN-UHFFFAOYSA-N 324.449 4.705 30 20 DJED N#Cc1cnc(N[C@H](c2ccccc2)C2CCCC2)c(Cl)c1 513635496 OBSIJBCTUGISFL-QGZVFWFLSA-N 311.816 4.950 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCC[C@@H](C)C1 525521272 PQNUXEHOMINSSQ-CHWSQXEVSA-N 311.878 4.742 30 20 DJED C=CCCC[C@H](C)N[C@H](C)c1nc2ccc(Cl)cc2n1C 539508557 CFJYAOWCFPDBDE-QWHCGFSZSA-N 305.853 4.622 30 20 DJED CCOc1ccccc1[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 565850389 LQCVBELZIYFLHC-FOIQADDNSA-N 320.436 4.685 30 20 DJED CCOc1ccccc1[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 565850390 LQCVBELZIYFLHC-MGPUTAFESA-N 320.436 4.685 30 20 DJED N#Cc1ccc(CNc2ccc(-c3ccco3)cc2F)cc1F 567285555 XYVHZSSRPCOKMD-UHFFFAOYSA-N 310.303 4.709 30 20 DJED CC[C@H](N[C@H](C)c1c(F)cccc1F)c1ccc(C#N)cc1 569553512 WXIPZPHEEDIDSS-PXAZEXFGSA-N 300.352 4.638 30 20 DJED C=CCN(CCc1ccco1)C(=O)c1ccc(C2=CCCC2)cc1 577329024 DLQYGYLCSXVCSK-UHFFFAOYSA-N 321.420 4.718 30 20 DJED C[C@@H](CCC#N)CN1CCc2sccc2[C@H]1c1cccs1 602435625 JDYAWLXOWZSRCN-GUYCJALGSA-N 316.495 4.697 30 20 DJED Cc1cc(C)c(C#N)c(S[C@@H](C)c2c(F)cccc2F)n1 603898216 STWRTMRURNUFJS-NSHDSACASA-N 304.365 4.702 30 20 DJED C=CCCCCCN(C)C(=O)c1ccc(Br)cc1C 606816890 WCHSCJGIKXAASK-UHFFFAOYSA-N 324.262 4.576 30 20 DJED C=CCC[C@H](C(=O)N(CC)CCC(F)(F)F)c1ccccc1 681656028 NJFNFJWZMXJZJF-HNNXBMFYSA-N 313.363 4.537 30 20 DJED CC(C)[C@@H](C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 733095677 LWDNMNIOVVLGAO-DNVCBOLYSA-N 306.409 4.573 30 20 DJED CCCCCCCC(=O)Nc1ccc2c(cnn2C(C)C)c1 735289272 IPCQVQKTZVLCAZ-UHFFFAOYSA-N 301.434 4.916 30 20 DJED CCn1nc(C)c(C(=O)/C=C\c2ccc(-c3ccccc3)o2)c1C 750909453 LROPVKDOSYJKND-BENRWUELSA-N 320.392 4.676 30 20 DJED CCc1ccc(C(=O)/C=C/c2ccc(Br)s2)o1 752238145 OHJXNVSHSNFSRI-GQCTYLIASA-N 311.200 4.562 30 20 DJED CC(C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1)=C1CCCC1 753604663 AFSHFZFZGQADLK-GOSISDBHSA-N 310.441 4.555 30 20 DJED C#CCCCC(=O)Nc1ccccc1Oc1ccc(Cl)cc1 758136610 PAGWFOURQDCPPX-UHFFFAOYSA-N 313.784 4.874 30 20 DJED CCc1ccc(C(=O)/C=C\c2ccc(Cl)nc2Cl)s1 761479980 YVTKZSCGRYCGED-UTCJRWHESA-N 312.221 4.908 30 20 DJED COc1cc(Cl)c(/C=C\C(=O)c2cncc(C)c2)cc1Cl 767367195 QGDJRVUTYZKWDF-ARJAWSKDSA-N 322.191 4.602 30 20 DJED Cc1ccc([C@H](C)N(C)Cc2ccc(O[C@@H](C)C#N)cc2)c(C)c1 768269362 RTLGSFYELCYFRU-ROUUACIJSA-N 322.452 4.787 30 20 DJED C[C@@H]1CC[C@H](C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)C1 776513347 XSGLNCCEEYDMDI-JFGNBEQYSA-N 318.829 4.562 30 20 DJED CC(=NNc1ncnc2sccc12)c1cc2ccccc2s1 780202147 RTWVJJXMFPSMLK-UHFFFAOYSA-N 324.434 4.742 30 20 DJED C#CCC1(C(=O)N2CC=C(c3cccc(C)c3)CC2)CCCCC1 788238265 KISDLRLKCATDKQ-UHFFFAOYSA-N 321.464 4.585 30 20 DJED COc1ccc2nc(/C=C\C(=O)c3cccc(C)c3)sc2c1 788731654 ITLIVNNGZIBLAQ-HJWRWDBZSA-N 309.390 4.509 30 20 DJED C[C@@H](OC(=O)c1ccc(C(C)(F)F)cc1)c1cccc(C#N)c1 796268691 NSJBPFPNVQHDPG-GFCCVEGCSA-N 315.319 4.588 30 20 DJED C=CCNc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1 797854324 ZLPDXOZNCIOAQP-UHFFFAOYSA-N 305.324 4.562 30 20 DJED CC(=NNc1cc(Cl)cc(Cl)c1)c1coc(C(C)C)n1 799486222 UGIJGAJTVWJSRF-UHFFFAOYSA-N 312.200 4.941 30 20 DJED C=CCC(F)(F)C(=O)Nc1ccc(-c2ccccc2)cc1F 814978750 VAJBNKWASCRXJO-UHFFFAOYSA-N 305.299 4.643 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C)c(Cl)c1Cl 1116822290 UGSBRXNMQXAOBX-LLVKDONJSA-N 313.228 4.874 30 20 DJED N#Cc1cccc(Oc2ccnc(Oc3cccc(Cl)c3)n2)c1 1161988976 BREUKBLDOUDNNR-UHFFFAOYSA-N 323.739 4.586 30 20 DJED CC[C@@H](Cc1ccc(C)cc1)N(CC)CCc1ccc(C#N)cc1 1167487406 LLJOVECSMXUDSP-QFIPXVFZSA-N 320.480 4.752 30 20 DJED Cc1cc(C#N)ccc1CN[C@H](c1cccc(F)c1)C(C)(C)C 1320565713 MPOHUWUOGFSIFJ-LJQANCHMSA-N 310.416 4.883 30 20 DJED CC(C)C(C)(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 1360158056 DZCWDKCZGWGYRW-UHFFFAOYSA-N 322.408 4.971 30 20 DJED C[C@H](OC(=O)c1ccc(Cl)cc1Cl)c1cccc(C#N)c1 1518184973 YKKNLTJABFHOTR-JTQLQIEISA-N 320.175 4.783 30 20 DJED Cc1ccc(C)c([C@@H](C)NC(=O)C[C@H](CC#N)c2ccccc2)c1 1520624945 QJUSKKMYZBULJR-MJGOQNOKSA-N 320.436 4.568 30 20 DJED CCc1cc(C#N)c(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)s1 1526349290 YDZXORBREODIEL-MELADBBJSA-N 316.470 4.727 30 20 DJED CC(C)c1ccc(/C=C/CC(=O)Nc2ccc(F)c(C#N)c2)cc1 1528011493 ZBKCYWWWVTWREQ-ONEGZZNKSA-N 322.383 4.863 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)c1cccc2ccncc12 1528322561 ODLVYGFKBWZCNN-UHFFFAOYSA-N 323.355 4.512 30 20 DJED CC(C)c1ccc([C@H](C)CC(=O)Nc2cc(C#N)ccc2F)cc1 1584674032 BHIXLMHZKXRKKD-CQSZACIVSA-N 324.399 4.953 30 20 DJED Cc1ccc([C@@H]2CCC[C@H]2N(C)Cc2ccc(CC#N)cc2)cc1 1641871636 NSQNPCCACLBRMH-FCHUYYIVSA-N 318.464 4.829 30 20 DJED CCc1nc(C(C)C)ccc1CN(C)[C@H](C)c1cccc(C#N)c1 1653972721 NATYHQIOKNSECK-MRXNPFEDSA-N 321.468 4.832 30 20 DJED CCOc1ccc(C#N)cc1NC[C@@H](OC(C)C)c1ccccc1 1657712699 DRFFIUNGFLFXRA-HXUWFJFHSA-N 324.424 4.535 30 20 DJED COc1cc(CNC(C)(C)CC2CCCCCC2)ccc1C#N 1657799796 LMMVZLUWNKZNSM-UHFFFAOYSA-N 314.473 4.796 30 20 DJED C[C@@H](CCC#N)CNCC(C)(C)c1ccc(C(F)(F)F)cc1 1657801417 JIAZUUACVGOGMH-ZDUSSCGKSA-N 312.379 4.512 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)CCCC2 1658859041 WETADARLOMSBQW-UHFFFAOYSA-N 318.464 4.848 30 20 DJED C[C@@H](CNc1ccc(F)cc1OCC#N)CC1CCCCC1 1659389486 MUHPKIWFFQPWTE-CQSZACIVSA-N 304.409 4.746 30 20 DJED C[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1CCC[C@@H](C)C1 1667925825 BQYUOFMRCUFJJH-MBNYWOFBSA-N 319.836 4.548 30 20 DJED C=CCN(CCc1ccccc1)C(=O)c1cc2ccccc2s1 65774945 XDNQYRVIFHKIRG-UHFFFAOYSA-N 321.445 4.772 30 20 DJED C=C[C@H](CC(=O)Nc1ccccc1N1CCCC1)c1ccccc1 129111646 FYTPOOFZTDFHDR-QGZVFWFLSA-N 320.436 4.585 30 20 DJED CC(C)[C@H](NCc1ccc(C#N)s1)c1ccc(Cl)cc1F 181011249 QDNDKSBMXULBOY-INIZCTEOSA-N 322.836 4.899 30 20 DJED N#Cc1ccc(CNc2ccc(COc3ccccc3)cc2)s1 181435118 WDPCBKFBVQEXDM-UHFFFAOYSA-N 320.417 4.811 30 20 DJED CC(C)c1ccc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 183532153 LXWIDOSGUUSUPD-AWEZNQCLSA-N 323.396 4.745 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@@H]1C=CCCC1 187794352 DTAOWZDVVMRDLK-HUUCEWRRSA-N 314.454 4.766 30 20 DJED Cc1c(C(=O)N(CC#N)c2ccccc2)oc2ccc(Cl)cc12 194665229 DWZCALFXJVPLAK-UHFFFAOYSA-N 324.767 4.565 30 20 DJED N#Cc1cccc(CSc2nc3ccccc3s2)c1F 219760287 DIFSEUQWLOEZNR-UHFFFAOYSA-N 300.383 4.599 30 20 DJED C[C@@H](Nc1ccc(OCC#N)cc1)c1cc2ccccc2s1 319321732 ZTEJBMZKCQZWLL-CYBMUJFWSA-N 308.406 4.977 30 20 DJED Cc1nc(C2(/N=C(/O)CC3CCCCCC3)CCCCC2)no1 330271480 VZQKAUHXSDBBEE-UHFFFAOYSA-N 319.449 4.854 30 20 DJED C=CCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2S1)c1ccccc1 435280419 SKYTWXBNLRLMFH-MJGOQNOKSA-N 323.461 4.527 30 20 DJED CCc1noc(C)c1CSCc1ccc(C#N)cc1Cl 438871052 DYQFVIOJCGWNGF-UHFFFAOYSA-N 306.818 4.504 30 20 DJED N#C[C@@H]1CC[C@H](Nc2ccc(COCc3ccccc3)cc2)C1 442852788 ILNIKPNQEPRDPQ-QUCCMNQESA-N 306.409 4.508 30 20 DJED Cc1ccccc1[C@H](CC(F)(F)F)NCc1cccc(C#N)c1 444000916 AGRKOSWTDGULCW-KRWDZBQOSA-N 318.342 4.650 30 20 DJED CC[C@@H](CNC1CCC(C)(C#N)CC1)Oc1ccccc1Cl 449191246 WXPOFVXPQHRDSF-CSLYMUCUSA-N 320.864 4.559 30 20 DJED CC1(C#N)CCC(N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 449447951 CQCBTAALEOFJPZ-ZCDVPAHGSA-N 320.839 4.992 30 20 DJED Cc1ccc([C@@H]2CCCN2c2c(Cl)cccc2C#N)s1 462839615 NUXOADHGLKHNHR-AWEZNQCLSA-N 302.830 4.923 30 20 DJED C=CCCN(C)C(=O)Nc1ccccc1Oc1cccc(F)c1 466417203 ONKAXJUHLCGGRL-UHFFFAOYSA-N 314.360 4.658 30 20 DJED C=CC[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)c1ccccc1 467115948 JRBJNBNFNDTYHN-YJBOKZPZSA-N 319.404 4.970 30 20 DJED CC(C)(C)C[C@@H](NC(=O)CC(C)(C)C#N)c1ccc(Cl)cc1 498933204 KUVHJPYINRSIMV-OAHLLOKOSA-N 320.864 4.873 30 20 DJED C=CCN(Cc1cccs1)C(=O)C[C@H](CC)c1ccccc1 504389446 WYVDBMBYIHBYRY-INIZCTEOSA-N 313.466 4.847 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc2ncsc2c1)c1ccccc1 534643478 ZVGJRAIFMUMVLU-ZDUSSCGKSA-N 308.406 4.595 30 20 DJED C[C@@H](NCCC(C)(C)C#N)c1ccccc1OCc1ccccc1 537412653 XQEAFDPNRLIOLU-QGZVFWFLSA-N 322.452 4.856 30 20 DJED C=CCC[C@H](NCc1nc2ccc(F)cc2o1)c1ccccc1 539359546 NBTXDJNQMPURFO-INIZCTEOSA-N 310.372 4.764 30 20 DJED CC[C@H](C#N)c1ccc(-c2ccccc2OC[C@@H]2CCOC2)cc1 592987188 WPIAGHFRKINNGY-IAGOWNOFSA-N 321.420 4.786 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](c1cccs1)C1CC1 611390114 CQSYLYITQZHDDB-IEBWSBKVSA-N 308.450 4.738 30 20 DJED N#C[C@@H](C(=O)c1ccc(C2CCC2)cc1)c1nc(C2CC2)cs1 647379566 VJZWRAWBGZGDJP-INIZCTEOSA-N 322.433 4.778 30 20 DJED C[C@@H](OC(=O)c1[nH]c2ccccc2c1Cl)c1cccc(C#N)c1 727636131 HCQFTDTYRNSXRQ-LLVKDONJSA-N 324.767 4.611 30 20 DJED N#CCOc1ccc(CSCc2ccccc2Cl)cc1 742972483 ZDZJODLPTMMGDR-UHFFFAOYSA-N 303.814 4.676 30 20 DJED CCCCCCCCCCCC(=O)N1CCC2(CCOCC2)C1 743783419 NVBILKBYCJRZGD-UHFFFAOYSA-N 323.521 4.936 30 20 DJED Clc1ccc([C@H]2CCCC2=NOCc2cccnc2)cc1 746587737 QWSCUSLVBWKWMD-MRXNPFEDSA-N 300.789 4.575 30 20 DJED CCc1ccc(C(=O)/C=C/c2cccc(-c3ccccn3)c2)o1 747693994 STJQHWUDWPVUIB-PKNBQFBNSA-N 303.361 4.800 30 20 DJED C[C@@H]1CC/C(=C/C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)C1 753801438 JOKLEKNLUWIPOM-JYESXXLSSA-N 322.433 4.733 30 20 DJED CC[C@H](C)c1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1 756233365 BQFWQEJMQAWAPL-XJKSGUPXSA-N 318.376 4.831 30 20 DJED COc1ccc(C(=O)/C=C/C=C/c2ccc(F)cc2F)c(F)c1 758018467 WGEWJEZPBZXCMU-ZUVMSYQZSA-N 318.294 4.565 30 20 DJED O=C(/C=C\c1cc(F)ccc1Br)c1ccccc1F 761199161 DCULSLIOEGDHFQ-YVMONPNESA-N 323.136 4.623 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)o2)s1 761803755 FNCYPSZVJHKRQC-CMDGGOBGSA-N 305.358 4.776 30 20 DJED CC(C)(C#N)CCCCSCc1cccc2nsnc12 766819525 DBKGVNWDLZLGRI-UHFFFAOYSA-N 305.472 4.645 30 20 DJED CCc1c(C(C)=NNc2cccc(C#N)c2)oc2ccccc12 767363087 QLLUPORFWIABEM-UHFFFAOYSA-N 303.365 4.703 30 20 DJED Cc1ccc([C@H](NCc2ccc(C#N)cc2)C2CCCC2)cc1 783220250 BSKIZHWQFLJRPW-OAQYLSRUSA-N 304.437 4.888 30 20 DJED CCc1ccc(N(CC)C(=O)C[C@H](CC#N)c2ccccc2)cc1 793012193 WUQQUWKGGQORLK-IBGZPJMESA-N 320.436 4.689 30 20 DJED Cc1ccc(COc2cccc(N[C@H]3CC[C@@H](C#N)C3)c2)cc1 799724311 KRLAQRABWCRQKJ-MJGOQNOKSA-N 306.409 4.678 30 20 DJED Cc1ccc(/C=C\C(=O)c2sccc2C)c(-c2cnn(C)c2)c1 802706020 ZSYFZCSEPULCOW-SREVYHEPSA-N 322.433 4.662 30 20 DJED C=CCCCCCCNC(=O)c1c(-c2ccccc2)noc1C 805217660 HOBFOMXMHWOLET-UHFFFAOYSA-N 312.413 4.516 30 20 DJED C[C@@H](OC(=O)CCCCCC#N)c1ccccc1Br 805696131 WQUKTEJRTMIYTB-GFCCVEGCSA-N 324.218 4.527 30 20 DJED Clc1ncccc1C=NN(Cc1ccccc1)c1ccccc1 814684995 APAUSBWTJZIZTC-UHFFFAOYSA-N 321.811 4.776 30 20 DJED CC1(C#N)CCC(Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1 824721717 IFPZCPFUPUKNBG-UHFFFAOYSA-N 311.429 4.620 30 20 DJED C=C1CCC(c2nc(-c3ccc(Br)cc3)no2)CC1 904709454 RLULNGJCHVHFCR-UHFFFAOYSA-N 319.202 4.713 30 20 DJED COc1ccc2ccccc2c1C=NN[C@H](C)c1ccccc1 920386284 WBLYGXRDMLWACO-OAHLLOKOSA-N 304.393 4.533 30 20 DJED Cn1cc(-c2ccc(/C=C/C(=O)c3ccccc3Cl)cc2)cn1 1116875412 GMQMBLXNLDWFRZ-DHZHZOJOSA-N 322.795 4.637 30 20 DJED CC(C)(C)c1ccc(C#N)c(N[C@@H](c2ccccc2)C2CC2)n1 1161958102 IXIOHPXHIJDEKK-SFHVURJKSA-N 305.425 4.814 30 20 DJED CCN(Cc1ccc(C(F)(F)F)cc1)c1cccc(F)c1C#N 1162297566 PJKBSTXRHQQDET-UHFFFAOYSA-N 322.305 4.743 30 20 DJED N#C[C@H]1CCC[C@H](NCc2ccc(Cl)c(C(F)(F)F)c2)C1 1183146710 ZUAICZWTYZMMEB-JQWIXIFHSA-N 316.754 4.531 30 20 DJED Cc1ccccc1SC[C@@H](C)CSc1ccc(C#N)cn1 1188613148 ZCYWCNIZGGQVBW-CYBMUJFWSA-N 314.479 4.782 30 20 DJED CCCN(CCOc1ccccc1C#N)c1ccc(Cl)cc1 1191854416 WTOWUSKGISVFLS-UHFFFAOYSA-N 314.816 4.507 30 20 DJED CC(C)(C)c1ccc2c(c1)CCCN2CCc1ccc(C#N)cc1 1192261335 DCRGLVFEQJJLBH-UHFFFAOYSA-N 318.464 4.851 30 20 DJED CC(C)(C)c1ccc(C#N)c(OCc2cccc3ccccc23)n1 1307359875 XCZOCEHZRDITNO-UHFFFAOYSA-N 316.404 4.983 30 20 DJED N#CCCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 1323736031 ULWCFKGUASOOGL-UHFFFAOYSA-N 309.196 4.647 30 20 DJED CC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1 1342326690 RPPHYQVYFHMOPM-XIKOKIGWSA-N 300.352 4.638 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC(=O)C1CCC(C)(C)CC1 1357642388 YXIXFYAJIITWIJ-UHFFFAOYSA-N 314.429 4.500 30 20 DJED C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(Cl)cc1C#N 1460821915 ZBOAPMDHXNTDEM-FOIQADDNSA-N 324.855 4.980 30 20 DJED C[C@H](CC(=O)N(C)[C@H](C)c1cccc(C#N)c1)CC(C)(C)C 1461078397 KZPSZEKANJLUOO-HUUCEWRRSA-N 300.446 4.540 30 20 DJED CCc1ccc([C@H]2CCCN(Cc3ccc(F)cc3C#N)C2)cc1 1473449365 DSLZZWBSUNCDMC-SFHVURJKSA-N 322.427 4.639 30 20 DJED Cc1ccc([C@H]2CCC[C@@H]2N(C)Cc2ccc(C#N)c(C)c2)cc1 1474313425 XXNUUXXFLNVQMV-YADHBBJMSA-N 318.464 4.943 30 20 DJED Cc1ccc([C@H](C)OC(=O)c2cccc(SCC#N)c2)cc1 1533365763 XOAGWJVVIHUMOB-AWEZNQCLSA-N 311.406 4.529 30 20 DJED C[C@@H]1CCC[C@H](Nc2nccc(Oc3cccc(C#N)c3)n2)CC1 1559168470 RWZAQPYKBLCARC-ZBFHGGJFSA-N 322.412 4.521 30 20 DJED CC(C)CN(CCc1ccc(C#N)cc1)c1cccc(Cl)c1 1559837375 XFJBBRXOPUBIKF-UHFFFAOYSA-N 312.844 4.917 30 20 DJED C[C@@H](C1CC1)N(Cc1ccc(-c2ccccc2C#N)cc1)C1CC1 1644469283 VNSGJIVPLMETFH-INIZCTEOSA-N 316.448 4.988 30 20 DJED N#Cc1c(F)cccc1CN1CCC[C@H]1c1ccc(Cl)cc1 1651891614 NDBXZRPYXWICFI-SFHVURJKSA-N 314.791 4.688 30 20 DJED Cc1cc(C#N)ccc1COc1c(F)cc(Cl)cc1Cl 1656664104 QLNPEUNSDWYBIP-UHFFFAOYSA-N 310.155 4.892 30 20 DJED Cc1cccc([C@@H](NC(=O)Nc2ccc(C#N)cc2)C(C)(C)C)c1 1666945775 DLTQOEOBYIQZQZ-GOSISDBHSA-N 321.424 4.776 30 20 DJED CC(C)c1cccc(/C=C2/C[C@H](C(=O)O)c3ccccc3C2=O)c1 1776375972 OIZPSOKPWQJYEA-QMDZLVRISA-N 320.388 4.648 30 20 DJED CC[C@@H](C)c1ccc(/C=C\C(=O)c2cc(C(=O)O)ccc2O)cc1 1776698644 PGVSXONVFIGFRD-AGEOTTOMSA-N 324.376 4.500 30 20 DJED N#Cc1ccccc1CSCc1csc(-c2ccco2)n1 31420583 KVIAEHBYZCXPFD-UHFFFAOYSA-N 312.419 4.708 30 20 DJED Cc1ccoc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 66789239 UBJYHEISFZVNGW-UHFFFAOYSA-N 318.332 4.504 30 20 DJED C=CCCO[C@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 69330085 XDDAYFFWKUBBGT-MRVPVSSYSA-N 322.619 4.567 30 20 DJED Cc1ccccc1C1CC(Nc2ccccc2O[C@H](C)C#N)C1 128238768 ZHGZQRRDRXKOCW-KLAILNCOSA-N 306.409 4.644 30 20 DJED CCCc1cccc(C(C)C)c1NC(=O)N(C)[C@H](C)CC#N 189975651 MTLBWUMEBMTHHQ-CQSZACIVSA-N 301.434 4.528 30 20 DJED CC(C)(C)C[C@@H](NCc1ccc(C#N)cc1)c1ccc(F)cc1 236627305 VZSBVJSJTKEDTO-LJQANCHMSA-N 310.416 4.964 30 20 DJED C=CCOc1ccc(CN[C@H]2CCc3cc(Cl)ccc32)cc1 237829723 XFJPFZPPKQRPHK-IBGZPJMESA-N 313.828 4.682 30 20 DJED N#C[C@@H]1CCC[C@@H](N[C@@H](c2ccccc2)c2ccc(F)cc2)C1 248901999 UNZVAPIYLSENRP-YSGRDPCXSA-N 308.400 4.587 30 20 DJED COc1ccc([C@H](N[C@H](C)c2ccc(C#N)c(F)c2)C2CC2)cc1 271937445 NPTHGRBPMQHHBF-ZUOKHONESA-N 324.399 4.508 30 20 DJED CC(C)[C@H]1CC[C@H](C(O)=Nc2cccc3c2CN=C3O)CC1 329301473 VVLVEVUMLLRVCW-JOCQHMNTSA-N 300.402 4.555 30 20 DJED CC[C@H](/N=C(/O)N(C)[C@H](C)C1CCCCC1)c1c(C)noc1C 330392334 IYIPGJIBEWHGJX-CJNGLKHVSA-N 321.465 4.557 30 20 DJED CSc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)s1 418145247 MTCDMRUODIGXGL-MRXNPFEDSA-N 314.479 4.509 30 20 DJED Cc1ccc([C@@H](NCc2ccc(C#N)s2)C2CCCC2)o1 421867815 CJLDRIOSYNSFLB-KRWDZBQOSA-N 300.427 4.542 30 20 DJED CCCN(CC(C)C)C(=O)c1sc2ccc(C#N)cc2c1C 429814160 YTPBMCPTHDMULF-UHFFFAOYSA-N 314.454 4.590 30 20 DJED C=CCC[C@H](NC(=O)Nc1cccc(F)c1F)c1ccccc1 435613204 ADBSQJAGGJWLTR-HNNXBMFYSA-N 316.351 4.794 30 20 DJED CC(=O)c1ccc2cc(Oc3c(C#N)cccc3C#N)ccc2c1 436401353 PCGOWHNVAVEUFA-UHFFFAOYSA-N 312.328 4.578 30 20 DJED Cc1ccc([C@@H]2CCCCN2C(=O)Nc2cccc(C#N)c2)cc1 437664930 FQMHRBVBZHYCOG-IBGZPJMESA-N 319.408 4.626 30 20 DJED C=C[C@@H](CC(=O)Nc1scnc1C(C)C)c1ccccc1 456437908 MFAIIXSSKYGDSR-ZDUSSCGKSA-N 300.427 4.565 30 20 DJED Cc1ccccc1[C@H](C)c1noc([C@@H](C)c2cccc(C#N)c2)n1 463062849 ZNSLBRLDMDKTFY-GJZGRUSLSA-N 317.392 4.553 30 20 DJED N#CCCCOc1cccc(NC(=O)CCCC2CCCC2)c1 463259829 ATPMAQJAXPQIGS-UHFFFAOYSA-N 314.429 4.668 30 20 DJED CCC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 471619021 MCBWLPQGMDTXEM-MAZHCROVSA-N 310.363 4.828 30 20 DJED CCSc1cccc(NC(=O)C[C@H](CC#N)c2ccccc2)c1 476065039 YROBOBYNECUFHW-INIZCTEOSA-N 324.449 4.825 30 20 DJED CCOc1cc(C)ccc1NCc1ccccc1C(C)(C)C#N 486446502 NTJINPHNTIGOAR-UHFFFAOYSA-N 308.425 4.807 30 20 DJED CC(C)c1c(NCc2ccc(C#N)s2)cnn1-c1ccccc1 486690833 MYGPPEOODATMHC-UHFFFAOYSA-N 322.437 4.541 30 20 DJED N#CCCCN[C@@H](CCCc1ccccc1)c1ccc(F)cc1 494985911 OBGRRWQBSBBOOG-FQEVSTJZSA-N 310.416 4.783 30 20 DJED C=CCN(CC=C)C(=O)[C@@H](C)S[C@@H](C)c1ccc(Cl)cc1 498109605 CCSGBLNRXKWWQO-UONOGXRCSA-N 323.889 4.723 30 20 DJED C=CCCC[C@H](C)NC(=O)N1CC(C)(C)[C@@H]1c1cccs1 501550174 DMDUPZRBYNEJPV-ZFWWWQNUSA-N 306.475 4.585 30 20 DJED CCC(CC)CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 505541563 ZJDVSPNAUJDVHL-ZDUSSCGKSA-N 313.228 4.501 30 20 DJED C=CCC[C@@H](NCCc1csc(C(C)(C)C)n1)c1ccco1 516308474 PSWBSJWNXNVION-OAHLLOKOSA-N 318.486 4.873 30 20 DJED Cc1cc(C)c(C#N)c(N[C@@H](C)c2oc3ccccc3c2C)n1 516672401 UFIDXUDSODDLMD-AWEZNQCLSA-N 305.381 4.798 30 20 DJED C=CC1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1 518965784 ZJOPGFIWOJGVOI-UHFFFAOYSA-N 307.393 4.517 30 20 DJED Cc1coc(-c2ccc(C)c(NCc3cccc(C#N)c3F)c2)n1 542225537 RMFYPLHSZWXEAW-UHFFFAOYSA-N 321.355 4.581 30 20 DJED C=CC[C@@H](C)N[C@@H](CSC)c1ccc(C(F)(F)F)cc1 542845850 BXKKCTKBILLWTN-RISCZKNCSA-N 303.393 4.664 30 20 DJED N#Cc1cccnc1N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 543072567 OPZJSYQYOKMGBX-JOCQHMNTSA-N 318.207 4.618 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)Nc2cccc3cc[nH]c23)cc1 548157048 IKUCJVARJFFUSL-UHFFFAOYSA-N 318.380 4.613 30 20 DJED N#CCC[C@H](C#N)CN[C@@H](c1cccc(Cl)c1)C1CCCC1 569352498 QTRHNNHAFRIGJQ-RDTXWAMCSA-N 315.848 4.604 30 20 DJED CSc1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)s1 571816011 YBOIFCUWFDQLBZ-UHFFFAOYSA-N 316.495 4.752 30 20 DJED N#C[C@@H](Cc1ccccc1)SC1CCC(C(F)(F)F)CC1 590742283 ZZESPSLADCHZID-YMAMQOFZSA-N 313.388 4.976 30 20 DJED CC[C@@H](C)CCNC(=O)Nc1ccccc1S[C@H](C)CC#N 596732746 NQFDXFXADYEACO-ZIAGYGMSSA-N 319.474 4.639 30 20 DJED N#Cc1ccccc1CNc1ccccc1SCC(F)(F)F 603459775 KEVIUXRHXVZBPM-UHFFFAOYSA-N 322.355 4.825 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCC1CCCCC1 603527448 RHOYWDROGFRLHN-UHFFFAOYSA-N 312.457 4.656 30 20 DJED Cc1ccc2c(C(=O)N[C@@H](C)c3cccc(C#N)c3)csc2c1 619493094 CGQFAXPOEXDAAQ-ZDUSSCGKSA-N 320.417 4.572 30 20 DJED C=CCOc1ccc(/C=C\C(=O)c2ccc(C#N)cc2)cc1Cl 727263564 DSNOMXWRTVCXNM-UITAMQMPSA-N 323.779 4.673 30 20 DJED CCCCCCCCCNC(=O)N(C)[C@H](C)c1cccc(O)c1 731543199 XZQGADCTRHTOOQ-MRXNPFEDSA-N 320.477 4.845 30 20 DJED CC(=NNCc1ccc(C(F)(F)F)cc1)c1sccc1C 733747566 SZBRWYXXWMYNSA-UHFFFAOYSA-N 312.360 4.589 30 20 DJED CCn1c(C(C)=NNc2ccccc2Cl)nc2ccccc21 741451689 MUCWNYIVQWENFE-UHFFFAOYSA-N 312.804 4.546 30 20 DJED CCCCCCCC(=O)Nc1ccc(N2CCSCC2)cc1 741574773 QLIROXLOHSEGOU-UHFFFAOYSA-N 320.502 4.539 30 20 DJED C/C(=C\C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)C(C)(C)C 744119957 YMBSRRHOLGEPSP-OFFHKIPUSA-N 316.401 4.604 30 20 DJED N#CC1(CN[C@@H]2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 754476627 NHAUNKLJOKBSCU-HZPDHXFCSA-N 322.374 4.625 30 20 DJED CCCCCCCCNC(=O)N(C)[C@H](CC)c1ccncc1 754866985 YRYXBOLWEZRHQS-QGZVFWFLSA-N 305.466 4.535 30 20 DJED C=CCN(C(=O)Nc1ccccc1COC(C)(C)CC)C(C)C 758281909 AWYXAMKVLDDLFH-UHFFFAOYSA-N 318.461 4.820 30 20 DJED Clc1ccc(NN=Cc2c(Cl)oc3ccccc23)cn1 761265963 BBHFKSCZGRVPFN-UHFFFAOYSA-N 306.152 4.581 30 20 DJED COCc1cccc(/C=C2\C(=O)c3cccc4c3[C@@H]2CCC4)c1 763289754 MVFRNCRMOMZDEU-UEXNTNOUSA-N 304.389 4.533 30 20 DJED N#Cc1ccccc1/C=C\c1nc(-c2cccc(C(F)F)c2)no1 771514970 OZCUBNDVRNDBLP-HJWRWDBZSA-N 323.302 4.716 30 20 DJED Cc1cc(C#N)ccc1CN[C@H](C)c1ccccc1C(F)(F)F 776800262 WNAHEORIYIXZCJ-CYBMUJFWSA-N 318.342 4.736 30 20 DJED C=C(Cl)COc1ccc([C@H](C)N[C@H]2CCC(F)(F)C2)cc1 777240793 CJJXOTSTXWTVSN-JSGCOSHPSA-N 315.791 4.656 30 20 DJED C[C@H](NCc1ccc(C#N)cn1)c1ccc(C2CCCCC2)cc1 783294657 RIVWJTAWVIAPDW-INIZCTEOSA-N 319.452 4.852 30 20 DJED COc1cccc(NN=C[C@H](C)c2ccc(C(F)(F)F)cc2)c1 788980673 LVLGKSRVGXYTRW-LBPRGKRZSA-N 322.330 4.915 30 20 DJED CC1(C)/C(=C\c2cnc(-c3ccco3)s2)C(=O)c2ccccc21 789128222 OILZULRHVHZDQI-GDNBJRDFSA-N 321.401 4.961 30 20 DJED Cc1cc(C(=O)/C=C\c2cnc(-c3ccco3)s2)c(C)s1 789131011 SVPNULHJOCLHME-WAYWQWQTSA-N 315.419 4.978 30 20 DJED CCCCCCCCC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 791274108 QHXDSWMCVJXGIQ-HIFRSBDPSA-N 320.304 4.779 30 20 DJED Cc1c(C(=O)/C=C/c2ccc(C(F)F)cc2)cnn1C(C)C 794942677 DMIYFXUPAUGUOU-RMKNXTFCSA-N 304.340 4.606 30 20 DJED C[C@@H](C#N)Oc1ccc(CN2C[C@H](C)C[C@H]2c2ccccc2)cc1 809715479 INGGUGVLZGCSII-WWMYMODYSA-N 320.436 4.561 30 20 DJED C#C[C@@H](NCc1cc2cc(F)ccc2o1)c1ccc(Cl)cc1 811516934 YREKWJNNPZXKOJ-QGZVFWFLSA-N 313.759 4.689 30 20 DJED C#CCCCC(=O)Nc1ccccc1N[C@@H](C)c1ccccc1 848041173 WRIYJCOAVLKPND-INIZCTEOSA-N 306.409 4.602 30 20 DJED C=CCN(C(=O)CCCSc1ccc(Cl)cc1)C(C)C 915147549 BFPHPKYOKLHJBO-UHFFFAOYSA-N 311.878 4.635 30 20 DJED CCc1nc2ccccc2n1N=Cc1ccc(-c2ccccc2)o1 917543636 UVLRJIMDLZIYJW-UHFFFAOYSA-N 315.376 4.741 30 20 DJED C=C(Cl)CN[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 1168466770 PKGJSWXHXTVXHJ-CQSZACIVSA-N 319.807 4.808 30 20 DJED C[C@@H](CCC#N)CN1CCc2cc(Cl)cc(Cl)c2[C@@H]1C 1179951582 LDBVVQBCGIIPMA-RYUDHWBXSA-N 311.256 4.852 30 20 DJED COc1ccc(CN(CCC#N)CC(C)(C)C)cc1C(C)(C)C 1180031076 UMBZACUHKAITJQ-UHFFFAOYSA-N 316.489 4.754 30 20 DJED N#CCc1ccc(CN(C2CC2)[C@@H]2CCCc3ccccc32)cc1 1307535616 PEFLOCFFGWNCRQ-JOCHJYFZSA-N 316.448 4.795 30 20 DJED Cc1ccc(CN(CCc2ccc(C#N)cc2)CC(C)C)c(C)c1 1307870366 MYPIZSJJGMGMNV-UHFFFAOYSA-N 320.480 4.876 30 20 DJED C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCN1CC1(CC#N)CC1 1308006023 NLSUENYZHBHOQD-INIZCTEOSA-N 322.374 4.710 30 20 DJED CC(C)[C@@H]1C[C@@H](NCc2cccc(OCC#N)c2)c2ccccc21 1322119471 IJCOLHNPXBGDFT-LEWJYISDSA-N 320.436 4.563 30 20 DJED C[C@@H](OC(=O)c1ccc2ccccc2c1)c1ccc(C#N)cc1 1354910710 LIESIBHSZAFBHP-CQSZACIVSA-N 301.345 4.629 30 20 DJED Cc1ccc(C#N)cc1NC(=O)CCc1ccc(CC(C)C)cc1 1361269774 MFBGSFJZOYWLPD-UHFFFAOYSA-N 320.436 4.637 30 20 DJED N#Cc1nc(N[C@H]2CCC[C@H](c3ccccc3)C2)ccc1Cl 1458362621 HDORRFDVKMLVQB-GJZGRUSLSA-N 311.816 4.745 30 20 DJED CCSc1ccc(CNc2ncc(Cl)c(C)c2C#N)cc1 1458557064 LTQAKJDRMBIKGJ-UHFFFAOYSA-N 317.845 4.639 30 20 DJED CC[C@H](OC(=O)c1cccc(C#N)c1C)c1cccc(Cl)c1 1458560265 OLUFVDZIAURANQ-KRWDZBQOSA-N 313.784 4.828 30 20 DJED N#CC1(CCN2CCCc3cc(F)c(F)cc32)CCCCC1 1459693377 YUXPKLKKQRDXQU-UHFFFAOYSA-N 304.384 4.582 30 20 DJED CC1C[C@@H]2CC[C@H](C1)N2Cc1ccc(-c2ccccc2C#N)cc1 1460470494 JYXHDMBOOQZXRD-QKUVIELKSA-N 316.448 4.988 30 20 DJED CCCN(c1cccc(C#N)n1)[C@@H](C)c1cc2ccccc2o1 1472670040 OVVXBGFCNLEAIP-AWEZNQCLSA-N 305.381 4.677 30 20 DJED Cc1ccc(C#N)c(NCC(C)(C)c2ccc(C(C)(C)C)cc2)n1 1472747192 NCNMLHNZYOSYPW-UHFFFAOYSA-N 321.468 4.949 30 20 DJED CCC[C@@H]1CCCC[C@H]1CNc1ncc(Cl)c(C)c1C#N 1472806173 LEDVHWVREYNZAN-KGLIPLIRSA-N 305.853 4.934 30 20 DJED Cc1cc(C)cc(C2(C(=O)O[C@H](C)c3ccc(C#N)cc3)CC2)c1 1524301657 KSDCFEZFINMEST-MRXNPFEDSA-N 319.404 4.511 30 20 DJED CC(C)(CC(=O)N1CCCC(C)(C)[C@@H]1C#N)C1CCCCC1 1544019697 RMPYBCLEIRVKIP-INIZCTEOSA-N 304.478 4.524 30 20 DJED C[C@H](C(=O)Nc1scc(C(C)(C)C)c1C#N)C1CCCC1 1544839791 KJFXOSMBGNKJNL-NSHDSACASA-N 304.459 4.682 30 20 DJED Cc1cccc(COc2ccc(CNC[C@@H](C)CCC#N)cc2)c1 1560754722 PSHZBDLNYKRAEW-SFHVURJKSA-N 322.452 4.604 30 20 DJED CCC[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@@H](C)CC2 1595892013 NJAHJMSCSYUJKR-WUHRBBMRSA-N 316.470 4.680 30 20 DJED COc1cccc([C@H](C)Sc2snc(Cl)c2C#N)c1 1612112922 XHVMEPZZUFKMPG-QMMMGPOBSA-N 310.831 4.530 30 20 DJED CSc1ccc([C@@H](C)NCCC2(C#N)CCCCC2)cc1 1617457883 SMQBSHDZGSQNRO-OAHLLOKOSA-N 302.487 4.923 30 20 DJED CCCCN(Cc1cccc(F)c1C#N)[C@@H]1CCC[C@@H](C)C1 1621360791 MLLREIFZHKTADF-NVXWUHKLSA-N 302.437 4.878 30 20 DJED CC[C@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(C#N)cc1Cl 1623230175 FZRGRUIPMXHKRF-UONOGXRCSA-N 319.836 4.550 30 20 DJED C[C@@H](c1ccccc1)c1ccc(Oc2cccc(C#N)n2)cc1 1639447277 SRSRRGAWQLSGES-HNNXBMFYSA-N 300.361 4.897 30 20 DJED C[C@@H]1CCCC[C@H]1CCNc1c(Br)cccc1C#N 1639478882 YRIISRKBICJRFN-OLZOCXBDSA-N 321.262 4.949 30 20 DJED CCCCc1ccc([C@@H](NCc2cc(C#N)ccn2)C(C)C)cc1 1642329695 YWVCBGUZNDZGLO-NRFANRHFSA-N 321.468 4.783 30 20 DJED Cc1c(C#N)c(SCc2ccc(CF)cc2)nc2c1CCC2 1643545583 JKJQGDCEVFBZQU-UHFFFAOYSA-N 312.413 4.512 30 20 DJED CCCN(Cc1ccccc1F)Cc1ccc(C#N)cc1Cl 1647777977 NIOUJTFRYVTMQP-UHFFFAOYSA-N 316.807 4.763 30 20 DJED Cc1cc(C)cc(Oc2ccc(Nc3cncc(C#N)n3)cc2)c1 1651406286 HIYGVZYWJNFULJ-UHFFFAOYSA-N 316.364 4.501 30 20 DJED N#C[C@H](c1ccccc1)N1CCC(=Cc2ccccc2F)CC1 1652902634 KHJWAZIHPYAULS-HXUWFJFHSA-N 306.384 4.570 30 20 DJED COc1cccc2c(CNc3cccc(CC#N)c3)cccc12 1656262204 YTHHTHPWKLGCRN-UHFFFAOYSA-N 302.377 4.527 30 20 DJED C[C@]1(c2ccccc2)CC[C@H](NC2(c3cccc(C#N)c3)CC2)C1 1658081168 GICRMNXHEFCWIM-SFTDATJTSA-N 316.448 4.647 30 20 DJED C=C(Cl)CN[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 1658292224 JMAFQFMECXPANO-TZMCWYRMSA-N 303.755 4.684 30 20 DJED N#Cc1ccc(CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1Cl 1664435635 RDYODVKFQAFSGL-BFYDXBDKSA-N 302.849 4.660 30 20 DJED CC(=NNc1c(Cl)cccc1Cl)c1cccc(C(=O)O)c1 1776049047 YFOKRTSNXCQDOK-UHFFFAOYSA-N 323.179 4.528 30 20 DJED CC(C)c1ccc(NN=Cc2cccc(C(=O)O)c2Cl)cc1 1776060408 TULGIPIWLGMLKJ-UHFFFAOYSA-N 316.788 4.608 30 20 DJED CC(=C/c1ccccc1)/C=C1/CCOc2ccc(F)cc2C1=O 60349779 IOCRCDZQXOAURJ-RVFWBLQRSA-N 308.352 4.821 30 20 DJED C[C@@H](CC1CCCC1)C(=O)Nc1cccc(OCCCC#N)c1 74505661 UUQZWCUBDVZXHZ-HNNXBMFYSA-N 314.429 4.524 30 20 DJED C=CCC[C@H](NCc1csc([C@H](C)OC)n1)c1ccccc1 160047316 BPEDWPGDLDIKMU-YOEHRIQHSA-N 316.470 4.648 30 20 DJED C=CC[C@H](C(=O)Nc1ccc(-c2cnco2)cc1)c1ccccc1 186914758 VGUSHSCMMRQMPH-SFHVURJKSA-N 318.376 4.640 30 20 DJED C=CCN(Cc1cccs1)C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 248193667 NIAXBTMHFRWPIW-HZPDHXFCSA-N 303.471 4.501 30 20 DJED N#C[C@@H]1CC[C@H](N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)C1 293511828 IBHIDYVDYHJYBK-KMFMINBZSA-N 322.374 4.577 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1CF 297702062 HLZJBCUGJPAVKF-HNNXBMFYSA-N 304.409 4.504 30 20 DJED N#Cc1ccc(N2CC[C@H](c3ccccc3)C2)cc1C(F)(F)F 321439665 MLCKQRIDYSZJPJ-HNNXBMFYSA-N 316.326 4.571 30 20 DJED Cc1noc(C)c1N=C(O)NC(C)(C)CC1CCCCCC1 328616708 STAMKKKJQJBONG-UHFFFAOYSA-N 307.438 4.566 30 20 DJED CC(C)c1nnc(C/N=C(/O)[C@H](C)CC2CCCCC2)s1 329835571 UVSXEYQDYTWCED-GFCCVEGCSA-N 309.479 4.725 30 20 DJED N#Cc1cnc2c(F)c(F)c(F)cc2c1SC1CCCC1 341326184 WJKHQDJOAPUOES-UHFFFAOYSA-N 308.328 4.558 30 20 DJED CSCc1ccccc1NC(=O)C[C@@H](CC#N)c1ccccc1 356775672 PXXRKPFALAYDOW-MRXNPFEDSA-N 324.449 4.576 30 20 DJED N#CC1(CSCc2cccc(OCC(F)(F)F)c2)CCC1 419403552 RUFKSFZHNHCDBG-UHFFFAOYSA-N 315.360 4.555 30 20 DJED C[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1S[C@H](C)CC#N 424658844 HEBYAVSSZLVVDD-ZNMIVQPWSA-N 316.470 4.846 30 20 DJED C=CCC[C@@H](NC(=O)c1cccc2cc[nH]c12)c1ccccc1 435720868 FOWKULYDXOEDIZ-GOSISDBHSA-N 304.393 4.605 30 20 DJED C[C@@H]1CCC[C@H](CC(=O)Nc2ccc(CC#N)cc2Cl)C1 452653306 ZLHDZLGSRHQJQS-OCCSQVGLSA-N 304.821 4.561 30 20 DJED CCCCn1c(SCc2cc(F)ccc2C#N)nc(C)c1C 469097527 YRMDUUUWIRMXLR-UHFFFAOYSA-N 317.433 4.603 30 20 DJED C=CCN(C(=O)Nc1c(CCC)cccc1C(C)C)C1CC1 471899197 MMQXZEGVUDPTRJ-UHFFFAOYSA-N 300.446 4.945 30 20 DJED Cc1ccc2c(C(=O)N[C@H](C)c3ccc(C#N)cc3)csc2c1 479669978 GBBDRLYHFZPROI-CYBMUJFWSA-N 320.417 4.572 30 20 DJED CCS[C@@H]1CCCCN(Cc2ccccc2C(C)(C)C#N)C1 487396155 RFRYDYCLOTTZQU-QGZVFWFLSA-N 316.514 4.595 30 20 DJED C=C(C)CN(CC)[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1 488567481 KNUKSDAZNFLVEF-ZDUSSCGKSA-N 304.821 4.954 30 20 DJED CC(C)(CCC#N)CNCc1ccc(-c2ccc(F)cc2)o1 519772550 FWXXDKPYMYKRRT-UHFFFAOYSA-N 300.377 4.505 30 20 DJED C[C@H](N[C@H](C)c1cccc(C2CC2)c1)c1ccc(C#N)cc1F 556173075 JYOQBFBAINYCSV-KGLIPLIRSA-N 308.400 4.987 30 20 DJED C=CCC(C)(C)CN[C@@H](Cc1ccncc1)c1ccc(OC)cc1 556218382 SOJCJUCHTPAWMF-FQEVSTJZSA-N 324.468 4.566 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1ccc(SC)s1 564529643 RJXMBSPVMQSLPF-UHFFFAOYSA-N 316.495 4.754 30 20 DJED CC1(CNC(=O)c2ccccc2-c2ccccc2C#N)CCCC1 609409499 MGHJJJFEQYDTNK-UHFFFAOYSA-N 318.420 4.535 30 20 DJED N#Cc1cccc(NCCC(c2ccccc2)c2ccccc2)n1 609890135 MHODSJCAVBCWJW-UHFFFAOYSA-N 313.404 4.587 30 20 DJED CCCCCCCC(=O)N1Cc2ccc(Br)cc2C1 708041093 OLMGIQDUMUCJBM-UHFFFAOYSA-N 324.262 4.652 30 20 DJED Cc1ccc(C)c(C(=O)/C=C\c2cccc(OCCCC#N)c2)c1 726742908 ZDJGXYBXKQZBMR-KHPPLWFESA-N 319.404 4.882 30 20 DJED CCOc1cc(/C=C/C(=O)c2sccc2C)cc(Cl)c1O 733748585 CUMBPTDEDWNSDK-SNAWJCMRSA-N 322.813 4.710 30 20 DJED CC1(C)Cc2cccc(/C=C/C(=O)c3c[nH]c4ccccc34)c2O1 737442409 ARFCEZGLYDKGCM-ZHACJKMWSA-N 317.388 4.778 30 20 DJED CCCCCCC[C@H](C)CNC(=O)[C@H](C)c1c(C)noc1C 749793977 CDGREAUOGBRHJI-UONOGXRCSA-N 308.466 4.508 30 20 DJED CCCCCCCCCCC(=O)N1CCCC[C@H]1c1ncc[nH]1 751412580 ZSYPEDACUSNKSB-KRWDZBQOSA-N 319.493 4.994 30 20 DJED C[C@@H](C#N)Oc1ccc(CNc2cccc3ccsc23)cc1 752099476 HEFDFYYNKBHHHP-ZDUSSCGKSA-N 308.406 4.804 30 20 DJED O=C(/C=C\c1coc(-c2ccccc2)n1)c1cc(F)cc(F)c1 755706015 QGVSYKHXKUQANK-SREVYHEPSA-N 311.287 4.516 30 20 DJED N#Cc1ccc(CN[C@H]2CCSc3c(Cl)cccc32)cc1 765015146 QFUGDJMIWAJLRM-INIZCTEOSA-N 314.841 4.538 30 20 DJED COc1ccc(C(=O)/C=C\c2cccc(-c3cccnc3)c2)cc1 768485208 SJXHHDQTYGEOFY-GHXNOFRVSA-N 315.372 4.653 30 20 DJED N#Cc1cc(/C=C\C(=O)c2ccc(-c3ccccc3)o2)ccc1F 770572933 UZMLHGZZGDHNIL-CLFYSBASSA-N 317.319 4.853 30 20 DJED C=C[C@@](C)(CC)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 785594290 QNPMMYYUNUFNOW-IBGZPJMESA-N 324.449 4.505 30 20 DJED O=C(/C=C\c1ccsc1Cl)c1c(Cl)nc2ccccn12 790219965 PUGSXMICPIEGQU-PLNGDYQASA-N 323.204 4.599 30 20 DJED C=CC[C@H](OC(=O)c1cccc2oc(C)nc12)c1ccccc1 805922853 VPPOVZSWACDBLK-INIZCTEOSA-N 307.349 4.610 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(OC(F)F)cc2)cc1C 810195632 AIJRAOHIIMPFMK-OQFOIZHKSA-N 318.319 4.501 30 20 DJED Clc1cccc(NN=CCCC2CCOCC2)c1Cl 841643407 BWFLUOPOANIMGY-UHFFFAOYSA-N 301.217 4.598 30 20 DJED Cc1cc(C(=O)N(O)Cc2cccc3ccccc23)sc1C 901371217 SDWYWOXVWRVXCH-UHFFFAOYSA-N 311.406 4.550 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 1128305137 XAZPMXIJVXBMRD-QAQDUYKDSA-N 304.478 4.524 30 20 DJED Cc1cc(N[C@H](C)c2cccc(Cl)c2Cl)ncc1C#N 1162575488 AEFOUSYEMMCJRQ-SNVBAGLBSA-N 306.196 4.742 30 20 DJED Cc1cc(Oc2cccc(F)c2)n2c(nc3ccccc32)c1C#N 1184616969 FXWOELNPIUOVCE-UHFFFAOYSA-N 317.323 4.599 30 20 DJED Cc1cc(CN2C[C@H]3CCCC[C@@]32c2ccccc2)ccc1C#N 1204633799 ZFNSXHLVIAYSFN-FGZHOGPDSA-N 316.448 4.768 30 20 DJED C=CCN(C(=O)c1cc2c(F)cccc2s1)c1ccccc1 1317788908 GHFOBUROKOAZLJ-UHFFFAOYSA-N 311.381 4.873 30 20 DJED CSc1ccccc1C(=O)/C=C/C1=Cc2ccccc2OC1 1321218887 TZZSXHJTBVSJBC-ZHACJKMWSA-N 308.402 4.623 30 20 DJED C[C@H](OC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccc(C#N)c1 1457759654 IRWSEYCKOJSOBY-IAAVTCLWSA-N 311.425 4.769 30 20 DJED C[C@@H](Cc1ccc(C(F)(F)F)cc1)Nc1cccc(F)c1C#N 1472687197 WUWBBORWOJTLPR-NSHDSACASA-N 322.305 4.759 30 20 DJED N#Cc1ccc(C(=O)NC(C2CCCCC2)C2CCCCC2)cc1 1536668136 RTNXVALTMJCGQD-UHFFFAOYSA-N 324.468 4.817 30 20 DJED CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C#N)cc1 1538944160 XOJAAPXGLPJBIG-UHFFFAOYSA-N 312.800 4.761 30 20 DJED CCCN(CC1CCCCC1)C(=O)Nc1ccc(F)cc1C#N 1562449381 DEWWKDIXRAXRRS-UHFFFAOYSA-N 317.408 4.522 30 20 DJED CCCCN(C(=O)Nc1cc(C#N)ccc1F)C1CCCCC1 1562917259 ONAZNTWYQHMTKS-UHFFFAOYSA-N 317.408 4.664 30 20 DJED CC[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1Cl 1587542753 FBQVHMYTPUVMLU-GFCCVEGCSA-N 314.772 4.621 30 20 DJED Cc1ccccc1C(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C 1588270407 DKLNDPUWEDFXOJ-AAEUAGOBSA-N 324.449 4.866 30 20 DJED C[C@H]1CC(C)(C)c2cccc(NC(=O)c3ccc(C#N)cc3)c21 1626489929 AOJCASRSVWAQFF-ZDUSSCGKSA-N 304.393 4.595 30 20 DJED CCSCc1cccc(Nc2nc(Cl)c(C#N)s2)c1 1642310320 UZAVJHQCRHZYBF-UHFFFAOYSA-N 309.847 4.665 30 20 DJED CCCCN(CCOc1cccc(C#N)c1)[C@@H]1CCC[C@H](C)C1 1643245081 CTGZFSIRRBHZQB-PKOBYXMFSA-N 314.473 4.618 30 20 DJED N#Cc1ccc(Sc2ccnc(-c3cccc(Cl)c3)n2)cc1 1651410899 KGHOJPLXAYSHKY-UHFFFAOYSA-N 323.808 4.820 30 20 DJED N#Cc1cnc(N[C@H](c2ccccc2F)C2CCCC2)c(F)c1 1651616256 AQZVWDWTFIAOTP-KRWDZBQOSA-N 313.351 4.575 30 20 DJED CCC1CCC(N(Cc2cccc(C#N)c2F)C2CC2)CC1 1657005724 SRVXTARLBUPLSS-UHFFFAOYSA-N 300.421 4.631 30 20 DJED CCOc1ccc(C#N)cc1NCCc1ccc(C(C)C)cc1 1658799537 DPEQQUYNNGCSOX-UHFFFAOYSA-N 308.425 4.735 30 20 DJED C[C@H]1C[C@H]1c1ccc(CN(Cc2ccc(C#N)cc2F)C2CC2)o1 30152789 NCYLSLCMMKGJDC-SCLBCKFNSA-N 324.399 4.578 30 20 DJED CSc1ccc(C(=O)/C=C/c2cc(F)c(F)c(F)c2)cc1 141148385 BZGWKNKUFIGYJI-FARCUNLSSA-N 308.324 4.722 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCC[C@@H](C)C1 155096187 IHCCQXARWUQPSG-QLFBSQMISA-N 316.470 4.846 30 20 DJED C[C@H](CC1CCCCC1)C(=O)[C@@H](C#N)c1nc2ccccc2o1 172086821 VTXLYDADWHUNAT-UKRRQHHQSA-N 310.397 4.611 30 20 DJED Cc1c(CSC(C)C)cccc1NC(=O)C1(C#N)CCCC1 173363830 VHUABZKOCVRBEN-UHFFFAOYSA-N 316.470 4.659 30 20 DJED Cc1sc2ncnc(SCCCC(C)(C)C#N)c2c1C 177178761 NPAUYHURKMFLCF-UHFFFAOYSA-N 305.472 4.730 30 20 DJED CC(C)(C#N)c1ccccc1CNC(C)(C)c1cccc(F)c1 179579562 KWYZTOBQGXOAPT-UHFFFAOYSA-N 310.416 4.652 30 20 DJED COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(F)F)c1 195741295 BKWQCUJVLUHSMD-BQYQJAHWSA-N 318.319 4.501 30 20 DJED O=C(/C=C\c1cccnc1)c1ccc(Cl)c(Cl)c1Cl 207808041 AYDMVCYKGPFQEC-UTCJRWHESA-N 312.583 4.938 30 20 DJED COc1cc(C)c(C(=O)/C=C/c2cccc(Cl)c2)cc1OC 303371240 SPJXXCKYZQRWRT-BQYQJAHWSA-N 316.784 4.562 30 20 DJED N#Cc1ccc(CC/C(O)=N/C[C@@H]2C[C@H]2C2CCCCC2)cc1 329354770 VOVYNZKNZSEVNZ-OALUTQOASA-N 310.441 4.664 30 20 DJED C=CC[C@@H](C(=O)NCC[C@H](C)c1ccccc1)c1ccccc1 410218756 KKQJYNSAKYGJEJ-FXAWDEMLSA-N 307.437 4.656 30 20 DJED C=CCC(C)(C)C(=O)N1CC[C@H](C(F)(F)F)c2ccccc21 410955662 SOEHZNDOGWDQFU-ZDUSSCGKSA-N 311.347 4.672 30 20 DJED N#C[C@H]1CC[C@@H](Sc2ncc(C(F)(F)F)cc2Cl)C1 430172542 XPRKSDCGEZLHSZ-IONNQARKSA-N 306.740 4.538 30 20 DJED C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 442937493 NPORIQVVVHFKAN-BEFAXECRSA-N 303.421 4.524 30 20 DJED C=CCCN(C)C(=O)N[C@@H](c1oc2ccccc2c1C)C(C)C 467107656 SOZZDXHYHSQPBX-QGZVFWFLSA-N 314.429 4.656 30 20 DJED C=CCC[C@@H](NC(=O)N1CC(C2CCCC2)C1)c1ccccc1 474542581 RLTMSVQDZPDINO-LJQANCHMSA-N 312.457 4.526 30 20 DJED Cc1ccc([C@H](C)N(C)C(=O)C[C@@H](CC#N)c2ccccc2)cc1 474714780 YDOAMBBEYXGZCA-FXAWDEMLSA-N 320.436 4.602 30 20 DJED CN(C(=O)c1cc2c(s1)CCCCCC2)c1ccccc1C#N 479684384 INCAIUJQSFMRHA-UHFFFAOYSA-N 324.449 4.555 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)Nc1ccc(F)cc1C#N 489709836 DHKUEGKVRRLMOL-UONOGXRCSA-N 322.383 4.625 30 20 DJED C=CCN(CC=C)C(=O)[C@H](C)S[C@H](C)c1ccc(Cl)cc1 498109604 CCSGBLNRXKWWQO-KGLIPLIRSA-N 323.889 4.723 30 20 DJED N#Cc1c(NC(=O)[C@@H]2CC=CCC2)sc2c1CCCCCC2 515677633 NWIWKUKPDNIDNR-CYBMUJFWSA-N 314.454 4.574 30 20 DJED COc1cc2nc(C)sc2cc1N[C@H](C)c1ccc(C#N)cc1 522841006 HHLUOXUGGQTTTG-LLVKDONJSA-N 323.421 4.658 30 20 DJED C=C(C)[C@@H](CC(=O)Nc1ccccc1Nc1ccccc1)OCC 538607045 WLRFZFUPRGTZGS-LJQANCHMSA-N 324.424 4.740 30 20 DJED C=C[C@@H](CC(=O)N1CC[C@H](c2cccc(F)c2)C1)c1ccccc1 550584561 YZGPDJFJJFLWIB-LPHOPBHVSA-N 323.411 4.502 30 20 DJED C[C@@H](CCC(=O)N[C@](C)(C#N)C1CCCCC1)c1ccccc1 550742856 CYNKBQWESDGERV-OXJNMPFZSA-N 312.457 4.549 30 20 DJED C=C1CCN(Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 551557322 DACOCFNIQNGXSB-UHFFFAOYSA-N 304.846 4.616 30 20 DJED C[C@@H](Cc1cccc(C(F)(F)F)c1)NCC(C)(C)CCC#N 554078005 FTDWRAUMTUIKMM-ZDUSSCGKSA-N 312.379 4.556 30 20 DJED N#CCCOCCS[C@@H](c1ccccc1)c1ccc(F)cc1 558853013 HNKSMUIKMYEVBC-SFHVURJKSA-N 315.413 4.579 30 20 DJED CC[C@H]1CCc2ccccc2N1C(=O)c1ccc(C#N)c(Cl)c1 567995074 ZXGIQLPCQPZMHJ-INIZCTEOSA-N 324.811 4.583 30 20 DJED CC[C@@H](C)CCC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 579298381 YJFAYIKSQRGZPK-CQSZACIVSA-N 323.396 4.510 30 20 DJED N#CCc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C2CC2)c(Cl)c1 583085862 QGGMVSRUKXJIMX-HUUCEWRRSA-N 316.832 4.561 30 20 DJED C=C(C)COc1cccc(NC(=O)c2ccc(Cl)s2)c1 589384989 TUPMMISQMKFPQW-UHFFFAOYSA-N 307.802 4.609 30 20 DJED N#Cc1ccc(/C=C/c2cccc(OCc3ccccc3)c2)nc1 603894082 RFDVDIDVGOUMMD-PKNBQFBNSA-N 312.372 4.703 30 20 DJED C=C(C)[C@@H](N[C@@H](C)c1nc(C)cs1)c1ccc(F)c(F)c1 623963756 OGYJJMXMMBMLOU-XHDPSFHLSA-N 308.397 4.698 30 20 DJED C=CCN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(C)C 730474230 RGRCTYBNNMAAKF-KBPBESRZSA-N 312.240 4.520 30 20 DJED C=CCN(C(=O)N[C@@H](c1ccccc1Cl)C(C)C)C(C)C 734673463 KSNKASXXTAYTMK-MRXNPFEDSA-N 308.853 4.643 30 20 DJED C=CC[C@@H](C)NC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 735065304 BLJYVAIKPUQICA-MLDYKZIASA-N 315.413 4.509 30 20 DJED CCCCc1ccc(C(=O)/C=C\c2cnc3ccccn23)cc1 740765320 WJNKGAZQUFDIPJ-SEYXRHQNSA-N 304.393 4.573 30 20 DJED Cc1cc(C(=O)/C=C\c2nccc3ccccc23)cc(C)c1F 741467028 JLRDOEHTTFOKJR-FPLPWBNLSA-N 305.352 4.887 30 20 DJED Cc1ccc(-c2nc(/C=C3\CCc4sccc4C3=O)co2)cc1 749892055 RCAFKVWVMVPSSN-GXDHUFHOSA-N 321.401 4.924 30 20 DJED Cc1ccsc1C(Cc1ccccc1)=NO[C@H]1CCCCO1 755823668 YVMKLBKCTPWIOO-KRWDZBQOSA-N 315.438 4.547 30 20 DJED CC(C)(C#N)CCCCOC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 768607899 MSDQWUNPQIDCRN-OLZOCXBDSA-N 319.367 4.618 30 20 DJED C#CCCCCC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 773304399 WFOXEBBKMYGYDE-UHFFFAOYSA-N 312.413 4.549 30 20 DJED CC(CCc1ccc(C(F)(F)F)cc1)=NOCC(F)(F)F 800813861 CRHMLWPGEZLSMB-UHFFFAOYSA-N 313.241 4.593 30 20 DJED Cc1cc([C@@H](Nc2nc(Cl)c(C#N)s2)C2CC2)ccc1F 804579107 SUYIWIUULWYOTK-ZDUSSCGKSA-N 321.808 4.679 30 20 DJED C#CCCCCCC(=O)Nc1ccc(-c2ccccc2)c(C)n1 811606305 CCMKKAAVTNHSDD-UHFFFAOYSA-N 306.409 4.579 30 20 DJED CC(C)N(Cc1ccc(O[C@@H](C)C#N)cc1)[C@@H](C)c1ccccc1 814169387 GVTBVMQGDWZGNK-ROUUACIJSA-N 322.452 4.949 30 20 DJED CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2csc(C)c2)c1 834650658 OWLMCSFGSVPSAR-RHSMWYFYSA-N 314.454 4.588 30 20 DJED Clc1ccc([C@@H]2CCCC(=NOC3CCOCC3)C2)cc1 841634430 PUWSZBSGNYKCCF-CQSZACIVSA-N 307.821 4.549 30 20 DJED C=CCN(Cc1ccccc1)C(=S)Nc1ccccc1CC 914601806 URRHAICYXKVFPJ-UHFFFAOYSA-N 310.466 4.634 30 20 DJED CC(=NNc1nccc2sccc12)c1ccc(F)cc1Cl 915980215 QGYMCHBWDUXDDI-UHFFFAOYSA-N 319.792 4.925 30 20 DJED Cc1cccc(-c2cccc(CNc3nc(C)ccc3C#N)c2)c1 1162386186 ZGCRDPNZFSIDBR-UHFFFAOYSA-N 313.404 4.849 30 20 DJED CCC[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1OC(F)F 1193648877 JMAFPMCDGDKDRI-ZBFHGGJFSA-N 322.399 4.608 30 20 DJED N#Cc1ccc(CN2CCC[C@H]2/C=C/c2ccccc2)c(Cl)c1 1198270353 KLXMKFOJOXKRQN-JARZOMNASA-N 322.839 4.889 30 20 DJED CCOc1ccc(C#N)cc1N[C@@H](C)Cc1coc2ccccc12 1205347557 NVMSWUUZZAVXGA-AWEZNQCLSA-N 320.392 4.746 30 20 DJED C[C@H](CCC#N)CNC1(c2c(Cl)cccc2Cl)CCC1 1205634656 VSBHJDFWIQPKJQ-GFCCVEGCSA-N 311.256 4.902 30 20 DJED CC(C)(C)Nc1ccccc1NC1CC(C#N)(c2ccccc2)C1 1261667725 HIYMWLYRHNJIBQ-UHFFFAOYSA-N 319.452 4.933 30 20 DJED N#Cc1c(Cl)nsc1NC(C1CCCC1)C1CCCC1 1307216993 VEUHLOKLXYAGOH-UHFFFAOYSA-N 309.866 4.829 30 20 DJED Cc1ccc(O)c2c1[C@H](C)/C(=C/c1ccc3ncccc3c1)C2=O 1318306697 AQRROUGPJKKVFF-YYTPVVGHSA-N 315.372 4.632 30 20 DJED CC(C)(C)c1ccc(C#N)c(NCc2ccc(Cl)cc2F)n1 1458332490 TUMKQIMUGLMTRP-UHFFFAOYSA-N 317.795 4.655 30 20 DJED Cc1ccccc1[C@@H]1C[C@@H](C)N(Cc2ccc(Cl)cc2C#N)C1 1459532748 VORXOSVBDNXLQT-CRAIPNDOSA-N 324.855 4.898 30 20 DJED N#C[C@H](CCc1ccccc1)Sc1ncc(-c2ccccc2)o1 1472981130 TWNKPTFCXWJBHF-KRWDZBQOSA-N 320.417 4.959 30 20 DJED COc1cccc(C2(NCCC3(C#N)CCCCC3)CCC2)c1 1473666899 RRDMUFJQRUZMHA-UHFFFAOYSA-N 312.457 4.528 30 20 DJED CC1(C)CCC(CC(=O)N[C@H](CCC#N)c2ccccc2)CC1 1534331874 JDEVYZWZFRYZNK-GOSISDBHSA-N 312.457 4.754 30 20 DJED Cc1ccnc(NCC2(c3cccc(F)c3)CCCCC2)c1C#N 1559079322 RRXIPGMOEHUEMA-UHFFFAOYSA-N 323.415 4.715 30 20 DJED N#Cc1sc(NC2(Cc3cccc(Cl)c3)CC2)nc1Cl 1559191520 PMRWKVGNMCWCLX-UHFFFAOYSA-N 324.236 4.509 30 20 DJED C[C@H]1Cc2c(sc(NC(=O)C3(C)CCCC3)c2C#N)[C@H](C)C1 1588271639 TTWYCQIJPGOQEN-VXGBXAGGSA-N 316.470 4.824 30 20 DJED CCCC[C@H](CC)CCCN(C)C(=O)c1cc(C#N)oc1C 1618244278 RKOIKEPHAZHGNM-HNNXBMFYSA-N 304.434 4.528 30 20 DJED N#Cc1cc(N[C@@H]2CC[C@H]2C2CC2)ccc1Oc1ccccc1 1621275575 JRCJYIVLPHUWOU-RBUKOAKNSA-N 304.393 4.951 30 20 DJED N#CC[C@@H](C(=O)NC(C1CCCC1)C1CCCC1)c1ccccc1 1626513059 CUWYEIHJXDUXKN-LJQANCHMSA-N 324.468 4.549 30 20 DJED N#Cc1sc(N[C@H]2CCC[C@H](c3ccccc3)C2)nc1Cl 1639882724 KXAHCLFUAGBEPU-STQMWFEESA-N 317.845 4.806 30 20 DJED C[C@@H]1CC(C)(C)CN1Cc1ccc(-c2ccccc2C#N)cc1 1653910101 VDRFNMYIDVKFIM-MRXNPFEDSA-N 304.437 4.846 30 20 DJED N#Cc1ccc(OCc2ccc(Cl)c(C(F)(F)F)c2)cc1 1656051710 VPFACDGOVWNZJR-UHFFFAOYSA-N 311.690 4.809 30 20 DJED N#Cc1cc(Cl)cc(OCCc2ccc3ccccc3c2)c1 1656603489 MNYJZAQCSVBLAO-UHFFFAOYSA-N 307.780 4.986 30 20 DJED COc1cc(C#N)ccc1CN1CCCC[C@@H]1c1ccc(C)cc1 1657402270 GQBLLYBDBAAVSV-HXUWFJFHSA-N 320.436 4.603 30 20 DJED CCc1c(C(=O)/C=C\c2cccc(C(=O)O)c2)oc2ccccc12 1776956373 XLTSHVYBNIZHIV-KHPPLWFESA-N 320.344 4.590 30 20 DJED CCn1nc(C)c(/C=C/C(=O)c2ccc3ccccc3c2)c1C 60378406 NOPYYVLBTWCFCS-VAWYXSNFSA-N 304.393 4.569 30 20 DJED COc1ccccc1/C=C/C(=O)c1cc2cc(Cl)ccc2o1 83201505 KOWVAHPOTNMMCN-SOFGYWHQSA-N 312.752 4.991 30 20 DJED N#Cc1ccc(Br)cc1OCc1ccc(Cl)cc1 123503605 BRSACRQPSPGBNH-UHFFFAOYSA-N 322.589 4.553 30 20 DJED C[C@@H]1CCC[C@H](OCc2cccc(NCc3ccc(C#N)o3)c2)C1 123843567 DHEVBCXSSVXREM-QAPCUYQASA-N 324.424 4.859 30 20 DJED N#CCCCOc1cccnc1NCc1csc2ccccc12 162271442 BYXAHEKUTFTBHF-UHFFFAOYSA-N 323.421 4.591 30 20 DJED C=CCCCC(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C 177196236 NEYWBLYJBAPWPU-MRXNPFEDSA-N 300.446 4.669 30 20 DJED Cc1ccsc1-c1nnc(SCCCCC(C)(C)C#N)o1 277765931 SEMXHBKUAROUAH-UHFFFAOYSA-N 321.471 4.919 30 20 DJED CC[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1c(C)noc1C 301833391 SDUBFORCZOXVNI-AWEZNQCLSA-N 323.318 4.745 30 20 DJED CC(C)CC[C@H](C)Nc1cc(Br)c(C#N)cc1F 310759025 YAAAHPNIPBVMED-JTQLQIEISA-N 313.214 4.696 30 20 DJED CC(C)c1nnc(C/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)s1 329169783 JTGXRWOVLQUIBY-MELADBBJSA-N 321.490 4.725 30 20 DJED Cc1ccc(C2CC(N[C@H](CCC#N)c3ccccc3)C2)cc1 341342108 IFMIPVMPEPRRRT-XVAXZDLZSA-N 304.437 4.876 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCCC[C@H]1C 424658842 HEBYAVSSZLVVDD-RBSFLKMASA-N 316.470 4.846 30 20 DJED N#CCCC[C@@H](Nc1nc2ccccc2s1)c1ccccc1 431487133 MJRKJSNEACLOGK-OAHLLOKOSA-N 307.422 5.143 30 20 DJED C=CCCCCCN(C)C(=O)c1ccc2ccc(Cl)cc2n1 437703638 PXZSXTLQNOMWJW-UHFFFAOYSA-N 316.832 4.707 30 20 DJED N#C[C@H]1CC[C@H](Nc2cccc(COCCc3ccccc3)c2)C1 442852196 FXGOAYLGAOIORC-RXVVDRJESA-N 320.436 4.550 30 20 DJED C=CCSCCN[C@@H](C)c1csc(-c2ccccc2F)n1 462799639 VPSREKQUBMMLBH-LBPRGKRZSA-N 322.474 4.519 30 20 DJED C=C(C)[C@@H](NC(=O)[C@H](C)c1ccsc1)c1ccc(F)c(F)c1 475668004 IHVUTXYNPMQMQK-BDJLRTHQSA-N 321.392 4.563 30 20 DJED C=C(C)CN(C)C(=O)Nc1cc(Cl)ccc1SC(C)C 477482632 MBKSBOSBVQYBSV-UHFFFAOYSA-N 312.866 4.880 30 20 DJED C=CCC1(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)CCC1 479174945 IWCAAAAMHOBELJ-UHFFFAOYSA-N 315.844 4.702 30 20 DJED C=CCCCCCN(C)C(=O)NC[C@H]1CCCCC(F)(F)C1 490681257 WWQNMBYCUPDIQY-HNNXBMFYSA-N 316.436 4.590 30 20 DJED CCC[C@H](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 499331654 VLMDQDVJHWVFPT-LBPRGKRZSA-N 304.459 4.653 30 20 DJED N#CCCCOc1cccc(N[C@H]2CCC[C@H]2CCCF)c1 510737624 SGBYLBWUQWCAOU-YJBOKZPZSA-N 304.409 4.699 30 20 DJED C=C(CC)CS[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 536882826 XAUYIOZREQCRPB-LBPRGKRZSA-N 304.415 4.506 30 20 DJED C[C@H](N[C@@H]1CC(C)(C)Oc2cc(F)ccc21)c1cccc(C#N)c1 538405832 GBHKTWZRDIBIIH-SCLBCKFNSA-N 324.399 4.650 30 20 DJED CC[C@@H](C)Oc1cc(C)ccc1CN[C@H](C)c1ccc(C#N)cc1 539497505 XWWDDKGXJAFGIM-IAGOWNOFSA-N 322.452 4.895 30 20 DJED C[C@@H](NC(=O)CCC1CC1)c1ccc(-c2cccc(C#N)c2)cc1 541069775 KTPXZPAUVJIMON-OAHLLOKOSA-N 318.420 4.593 30 20 DJED C=CCC(C)(C)C(=O)Nc1ccc(Nc2nc(C)cs2)cc1 576652273 AHPFWAUNNCIEPI-UHFFFAOYSA-N 315.442 4.736 30 20 DJED Cc1ncsc1CSc1nc(-c2ccccc2)ccc1C#N 577106888 TUOKAJCAVKBYPZ-UHFFFAOYSA-N 323.446 4.678 30 20 DJED C=CCCC(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl 588030029 ZJTYCWCZWZTLOG-SFHVURJKSA-N 317.791 4.651 30 20 DJED N#CCC1(CSc2ncc(-c3ccc(Cl)cc3)o2)CC1 594883117 HBRUPKHPSGHBNE-UHFFFAOYSA-N 304.802 4.781 30 20 DJED N#CC1(Cc2nc(-c3cccc(Cl)c3F)no2)CCCCC1 596593112 PFVZLFNGHDVUGQ-UHFFFAOYSA-N 319.767 4.546 30 20 DJED CCc1cc(Oc2c(C#N)nnc3ccccc23)ccc1Cl 610128428 JATSQNDIUCSGPN-UHFFFAOYSA-N 309.756 4.510 30 20 DJED N#CCC[C@H](NC(=O)Nc1ccc(C2CC2)cc1)c1ccccc1 611330552 HTLVQVXWHQKFSY-IBGZPJMESA-N 319.408 4.731 30 20 DJED COc1ccc(CS[C@@H](C#N)Cc2ccccc2)cc1Cl 616231606 KRCRRZMNIHUHMH-OAHLLOKOSA-N 317.841 4.717 30 20 DJED N#C[C@@H](C(=O)c1ccc(Cl)c(F)c1)c1ccc2ccccc2n1 677975966 UUHUSWKJDLCUDP-CYBMUJFWSA-N 324.742 4.517 30 20 DJED C#Cc1cccc(NC(=S)Nc2ccc(C(C)(C)C)cc2)c1 726433409 GKYGEMCUOYQWHB-UHFFFAOYSA-N 308.450 4.774 30 20 DJED Cc1cccc2c1C/C(=C/c1nc(-c3ccccc3)cs1)C2=O 729151567 UABYNLIXKOCNHC-PTNGSMBKSA-N 317.413 4.941 30 20 DJED C=CC[C@H](C)NC(=O)c1cc(-c2cccs2)nc2ccccc12 735066908 ZHGHMRMERPPVMY-ZDUSSCGKSA-N 322.433 4.658 30 20 DJED Cc1ccccc1C1CC(=NNc2ncccc2C(F)(F)F)C1 743435975 REWOOBSXEXPPIX-UHFFFAOYSA-N 319.330 4.754 30 20 DJED FC(F)Oc1ccc(NN=Cc2ccccc2C2CC2)cc1 751133980 SIKNGFWWKWDJAU-UHFFFAOYSA-N 302.324 4.611 30 20 DJED O=C1/C(=C/c2nc(Cl)cs2)CCc2c(Cl)cccc21 758039488 LEWMRNPWMZRJEX-SOFGYWHQSA-N 310.205 4.662 30 20 DJED CCCCCCCS(=O)(=O)Cc1ccccc1C(F)(F)F 764727867 BACKWURHJGNYHF-UHFFFAOYSA-N 322.392 4.591 30 20 DJED O=C(/C=C/c1cncs1)c1ccc(Oc2ccccc2)cc1 767717988 IHDBSVUXPVBLMP-ZHACJKMWSA-N 307.374 4.832 30 20 DJED C=CCSCCN[C@@H](C)c1ccc(SC(F)F)cc1 772953507 JNOYSXSGMRYRRG-NSHDSACASA-N 303.443 4.571 30 20 DJED CC(C)c1nccnc1NN=C1CC(c2cccc(Cl)c2)C1 773095142 VSRLQGSTSTXGEB-UHFFFAOYSA-N 314.820 4.599 30 20 DJED CCOc1ccc(N[C@H]2CCCc3cc(C#N)ccc32)cc1F 776857492 DSKWEDSYXVLXJX-SFHVURJKSA-N 310.372 4.586 30 20 DJED CCC(=NNc1cncc(Cl)n1)c1cccc2ccccc12 780210261 RCQVROBTIKTLGX-UHFFFAOYSA-N 310.788 4.509 30 20 DJED CC(C)c1ccc(/C=C2\C[C@H](C(=O)O)c3ccccc3C2=O)cc1 806563551 ZFIKYCWBOOFEBN-SKTWIKFTSA-N 320.388 4.648 30 20 DJED C#Cc1cccc(CN[C@@H](C)c2sc(C(C)(C)C)nc2C)c1 834904319 WTBAAUVWDIKKCE-ZDUSSCGKSA-N 312.482 4.581 30 20 DJED CC(=NNc1ccc(Cl)cc1F)c1c(C)nn(C(C)C)c1C 901310606 GFQFTGCPEOXJFJ-UHFFFAOYSA-N 322.815 4.709 30 20 DJED C=CCC(F)(F)c1nc(-c2c(Cl)cccc2Cl)no1 904309120 ZZCZTNFZCAYENV-UHFFFAOYSA-N 305.111 4.711 30 20 DJED C=C[C@@](C)(CC)c1nc(-c2ccsc2C(F)(F)F)no1 904924135 MEMDTNYHVLWYIZ-LBPRGKRZSA-N 302.321 4.671 30 20 DJED CCCCCCCC(=O)OCc1coc(-c2cccs2)n1 919222027 CFOCYFOEGHNVNK-UHFFFAOYSA-N 307.415 4.807 30 20 DJED Cc1nc2ccc(N=Cc3cc(Cl)ccc3O)cc2s1 920942720 KJPSQYNLDGZMRG-UHFFFAOYSA-N 302.786 4.714 30 20 DJED Cc1cccc2c(C(=O)O[C@@H](C)c3ccc(C#N)cc3)coc12 1126638392 XINPGHKCOFILGB-ZDUSSCGKSA-N 305.333 4.531 30 20 DJED CC[C@@H](C)N(CCc1ccccc1F)Cc1ccc(C#N)s1 1190627079 DFPZAZMVOWAYCS-CQSZACIVSA-N 316.445 4.602 30 20 DJED CC(C)(C)C[C@H]1CCN(C(=O)NCC(C)(C)CCC#N)C1(C)C 1229538417 IIXYMQFIOUYHFK-OAHLLOKOSA-N 321.509 4.563 30 20 DJED C[C@H](OC(=O)c1csc2ccccc12)c1cccc(C#N)c1 1266016554 IEMUZMQFUNVACP-LBPRGKRZSA-N 307.374 4.691 30 20 DJED C[C@H](NC(=O)C1CC(C)(C)CC(C)(C)C1)c1cccc(C#N)c1 1288803434 OZRMJSUXZCGXMI-AWEZNQCLSA-N 312.457 4.588 30 20 DJED C[C@H]1C[C@H](c2ccccc2)C[C@H](NCc2cc(C#N)cs2)C1 1308438563 SCFCTKDECVIZQM-JCGIZDLHSA-N 310.466 4.682 30 20 DJED CC(C)(CCC#N)CNC(=O)c1ccc2c(c1)oc1ccccc12 1327227468 YAUJXRBYDFPIPP-UHFFFAOYSA-N 320.392 4.646 30 20 DJED N#Cc1ccc(-c2nnc(-c3c(Cl)cccc3Cl)o2)cc1 1341533564 XJQXDYRHIMJUPF-UHFFFAOYSA-N 316.147 4.582 30 20 DJED Cc1sc(NC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)c(C#N)c1C 1347708363 CILCKBGNIBHHQI-HZPDHXFCSA-N 324.449 4.759 30 20 DJED COC[C@@H](SCCC1(C#N)CCCCC1)c1ccccc1 1473094757 FQIZABDOVMDPTN-QGZVFWFLSA-N 303.471 4.971 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C[C@H]1C[C@H]1c1ccccc1 1474319469 KUOBRIKBSDRRCI-RTWAWAEBSA-N 304.437 4.572 30 20 DJED CCN(CC(C)(C)C)C(=O)Nc1scc(C(C)(C)C)c1C#N 1476647002 JZIZGGAWVUCQKF-UHFFFAOYSA-N 321.490 4.817 30 20 DJED CC[C@H](CNc1nc(C(C)(C)C)ccc1C#N)CC(F)(F)F 1559213806 IOJQIFVLINKFTE-NSHDSACASA-N 313.367 4.641 30 20 DJED CC1(C)CC(C(=O)N2CCCc3cc(C#N)ccc32)CC(C)(C)C1 1583467232 MSEJAPMBKPYWFH-UHFFFAOYSA-N 324.468 4.690 30 20 DJED CCC1(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)CCC1 1584028780 HVGAOVARUQJSKH-NEPJUHHUSA-N 316.470 4.824 30 20 DJED CCN(Cc1ccc(Cl)cc1C#N)c1ccccc1Cl 1617498267 GFDSKWDBYJQSPT-UHFFFAOYSA-N 305.208 4.892 30 20 DJED Cc1cc(C#N)ccc1CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 1617765308 HGPDOPRHVONMMV-BDTNDASRSA-N 316.448 4.635 30 20 DJED C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)CC1CCCC1 1618721007 PUSFVRUGGUZKPL-CYBMUJFWSA-N 310.363 4.610 30 20 DJED Cc1ccccc1[C@H](Nc1nccnc1C#N)C1CCC(C)CC1 1640112076 KZUWZOQPAIHNLC-GSQSYGFSSA-N 320.440 4.636 30 20 DJED CC(C)(C)[C@H]1CCC[C@@H]1Nc1ccc(C#N)c(Br)c1 1651933159 OWWXIKHRVZDPSM-ZFWWWQNUSA-N 321.262 4.947 30 20 DJED CCCC[C@@H](CCC)Nc1nccc(Oc2cccc(C#N)c2)n1 1655219817 PLOHBPGBEHRTJU-MRXNPFEDSA-N 324.428 4.911 30 20 DJED CO[C@H](CSc1cccc(F)c1C#N)c1ccc(Cl)cc1 1656593112 RIINRWZGWMTFEC-OAHLLOKOSA-N 321.804 4.831 30 20 DJED CC(C)(C)[C@@H]1CCC[C@H](NC(=O)Nc2cccc(C#N)c2)CC1 1667575284 STPUIYYOPPMTMB-CVEARBPZSA-N 313.445 4.675 30 20 DJED CCc1cc2c(Oc3ccc(C#N)cc3Cl)ncnc2s1 24059537 AQMCCVHBDYINCL-UHFFFAOYSA-N 315.785 4.571 30 20 DJED CCOc1ccc(C(C)=O)cc1CSCCCC(C)(C)C#N 178385793 FZEIVWPYOKCQKU-UHFFFAOYSA-N 319.470 4.851 30 20 DJED Cc1csc([C@@H](C#N)C(=O)c2ccc(C(C)C)c(Cl)c2)n1 191371923 SLCXAZCINKWDHX-ZDUSSCGKSA-N 318.829 4.718 30 20 DJED C=C(C)[C@H](N[C@@H](C)c1cccc(O)c1)c1ccc(F)c(F)c1 194962986 RHGPESJYAQSCJB-SGTLLEGYSA-N 303.352 4.638 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2cnc(-c3ccccc3)s2)s1 255474422 IEPWVQGFHKOPKW-VURMDHGXSA-N 322.414 4.639 30 20 DJED C=C(C)[C@@H](CC(=O)Nc1ccccc1-c1cccs1)OCC 270034801 MPXWDQLHMIPERW-MRXNPFEDSA-N 315.438 4.725 30 20 DJED CC(C)(C#N)CCCCN[C@@H](c1ccccc1)c1nccs1 277780856 RVEUBNNRLKWWSM-INIZCTEOSA-N 313.470 4.542 30 20 DJED CC(C)[C@H]1OCC[C@@H]1C/N=C(/O)[C@@H](C)c1cc2ccccc2o1 330314165 XRZPJKOKPMLVHQ-JCKWVBRZSA-N 315.413 4.554 30 20 DJED C[C@H](CCC#N)N1CCC(Sc2ccc(Cl)cc2)CC1 411397463 HLHVOHKYMAGNKV-CYBMUJFWSA-N 308.878 4.589 30 20 DJED N#C[C@H]1CC[C@@H](N[C@H]2CCCc3c(Cl)sc(Cl)c32)C1 424328037 NSYPDHKTJVANMW-NGZCFLSTSA-N 315.269 4.714 30 20 DJED CCCCc1nc(CN(C)[C@@H](C)c2cccc(C#N)c2)cs1 425529402 BQALLVTVPIUSMC-AWEZNQCLSA-N 313.470 4.550 30 20 DJED Cc1ccc(C#N)cc1NC(=O)[C@H](C)c1ccc2ccccc2c1 439753626 BNUNFXGCLJODNW-OAHLLOKOSA-N 314.388 4.762 30 20 DJED Cc1nc2ccccc2nc1S[C@H](C)c1cccc(C#N)c1 442906227 UWSMQCUEBDYMPQ-CYBMUJFWSA-N 305.406 4.663 30 20 DJED C=C(C)[C@@H](NC(=O)N1CCCC[C@H]1CC)c1ccc(F)c(F)c1 483286987 AOALHQPLJXIQDT-RHSMWYFYSA-N 322.399 4.556 30 20 DJED CCSc1ccc([C@H](C)NCc2ccc(C#N)c(C)c2)cc1 488164236 KHBYPRGYBFTPRW-HNNXBMFYSA-N 310.466 4.830 30 20 DJED CCC[C@@H](C)CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 522145458 WODYUXPPFJCVEV-VXGBXAGGSA-N 304.459 4.509 30 20 DJED C=CC[C@H](C)NC(=O)c1sc2cc(Cl)ccc2c1Cl 524195033 PBNVGXCZGHWQIU-QMMMGPOBSA-N 314.237 4.903 30 20 DJED COc1ccc(C#N)cc1CN[C@@H](c1ccccc1)C1CCCC1 533384083 FORCQOMIKKLPIK-NRFANRHFSA-N 320.436 4.588 30 20 DJED Cc1ccccc1[C@H](CC(C)C)NCc1ccc(F)c(C#N)c1 537058991 IQMMBUCULISWRJ-FQEVSTJZSA-N 310.416 4.883 30 20 DJED COc1cc(C#N)ccc1CN[C@H](c1cccc(C)c1)C(C)(C)C 538238646 DWOKDKHOBHVJJA-HXUWFJFHSA-N 322.452 4.752 30 20 DJED CC(C)(CCC#N)CN1CCc2c(Cl)cc(Cl)cc2C1 538725225 GPNCNIOAPPEZQD-UHFFFAOYSA-N 311.256 4.681 30 20 DJED Cc1cc([C@@H](N[C@@H](C)c2ccc(C#N)cc2)C2CC2)ccc1F 539424214 KEDSBCVCKBZXBR-XOBRGWDASA-N 308.400 4.808 30 20 DJED C=CCN(C(=O)c1cccc(-c2ccccc2OCC)c1)C1CC1 540134610 MYOBFABUOGZKMD-UHFFFAOYSA-N 321.420 4.543 30 20 DJED C[C@H]1CCCN(C(=O)c2cc(C#N)ccc2Cl)c2ccccc21 552161718 SAAQOUNQTWWGEL-ZDUSSCGKSA-N 324.811 4.756 30 20 DJED C=CCOc1cccc(CN[C@@H](C)c2ccccc2Cl)c1 559339798 SGOUHWLILUKGGG-AWEZNQCLSA-N 301.817 4.756 30 20 DJED CC[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 560260696 XRCQNBGBGWDYKV-SFHVURJKSA-N 310.828 4.942 30 20 DJED C[C@H]1CCCC[C@H]1c1noc([C@@H]2C[C@H]2c2cccc(C#N)c2)n1 568978668 ZFJWVJNKUPUBRG-NKKGCODLSA-N 307.397 4.506 30 20 DJED CSc1ccc([C@H](C)N[C@H]2CCc3ccc(C#N)cc32)cc1 573048899 ZGLRNDAUMQARJD-DJJJIMSYSA-N 308.450 4.618 30 20 DJED C[C@H](c1ccc(Br)cc1)N1CCC(CCC#N)CC1 576104630 UMIFRXKWRCUPJW-CYBMUJFWSA-N 321.262 4.526 30 20 DJED Cc1cccc(-c2cccc(CNC(=O)CCCCCC#N)c2)c1 588155984 JQBATTPEQGCYCK-UHFFFAOYSA-N 320.436 4.752 30 20 DJED CCc1cccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c1 611093080 BNTTVBNKNXEHIJ-UHFFFAOYSA-N 319.191 4.680 30 20 DJED Cc1cc([C@@H](C)NCc2ccc(C#N)c(Cl)c2)cc(C)c1F 619754717 IVEQETJISGBFSL-CYBMUJFWSA-N 316.807 4.818 30 20 DJED C=C[C@@H](CC(=O)Nc1cccc2ccncc12)c1ccccc1 677565359 KJHNWSDHTVJBMD-HNNXBMFYSA-N 302.377 4.533 30 20 DJED Cc1cccc(-c2n[nH]cc2/C=C\C(=O)c2ccc(C)s2)c1 728786430 WOEJWQBZFIRXPW-FPLPWBNLSA-N 308.406 4.651 30 20 DJED COc1cccc(/C=C2/Cc3c(C)cccc3C2=O)c1OC(C)C 729150394 KBXYYWXDKRBZER-WJDWOHSUSA-N 322.404 4.613 30 20 DJED C=CCN(C(=O)Nc1cc(Cl)ccc1SCC)C(C)C 729575306 HVGCSBSTLWUFQD-UHFFFAOYSA-N 312.866 4.880 30 20 DJED Cc1ccccc1[C@H](NCc1ccc(O[C@H](C)C#N)cc1)C1CC1 732820248 FXEPIPXYZMAAFQ-IIBYNOLFSA-N 320.436 4.527 30 20 DJED O=C1/C(=C\c2cccc(C(F)(F)F)c2)Cc2cc(F)ccc21 734305550 XAYJJGYNGSFKQO-SDQBBNPISA-N 306.258 4.667 30 20 DJED CCCCCCCC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 735477626 DYWQCAMPXRZNKS-IBGZPJMESA-N 316.489 4.777 30 20 DJED C[C@H](NCc1cc(C#N)ccc1F)c1ccc(C(C)(C)C)cc1 743484702 RZVFVDRFYQYRQA-AWEZNQCLSA-N 310.416 4.846 30 20 DJED N#Cc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)cc1 751293930 IPQLMCLWYHXTHU-UHFFFAOYSA-N 316.335 4.617 30 20 DJED FC(F)C1CC(=NNc2ccc(Br)cc2Cl)C1 766025736 TVAOJOBBJCDSPD-UHFFFAOYSA-N 323.568 4.546 30 20 DJED O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1cscn1 769265545 QRQZFAMRRJCDMZ-FLIBITNWSA-N 321.401 4.618 30 20 DJED Cc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 782190322 ZDKHZMFCLNWYNT-FNORWQNLSA-N 307.758 4.514 30 20 DJED COc1ccc2nc(/C=C/C(=O)c3ccccc3C)sc2c1 788732640 ONPFCHXYPWAKOX-MDZDMXLPSA-N 309.390 4.509 30 20 DJED CCCCCCCCCCC(=O)N1CCC[C@](C)(OC)CC1 794184227 MFDGCLCXCULHKK-IBGZPJMESA-N 311.510 4.935 30 20 DJED COc1ccc(C(=O)/C=C/c2ccc(C(F)F)cc2)cc1F 794937622 HLXYJQQDOUFJHC-XBXARRHUSA-N 306.283 4.668 30 20 DJED O=C(/C=C/c1csc(-c2ccc(F)cc2)n1)c1cccs1 796973229 BFJCENXIOJRLDM-BQYQJAHWSA-N 315.394 4.907 30 20 DJED COc1ccc2nc(/C=C3/C(=O)c4ccccc4[C@@H]3C)sc2c1 809155931 HZMCEHCOWJOWQI-KBVGCWLLSA-N 321.401 4.688 30 20 DJED C#CCCc1noc(/C(C)=C\c2c(Cl)cccc2Cl)n1 809397032 JSJVQSVKICJGGA-KTKRTIGZSA-N 307.180 4.503 30 20 DJED N#Cc1cccc(C(=O)/C=C\c2cscc2C(F)(F)F)c1 811688615 QBLIWMXIRNULET-PLNGDYQASA-N 307.296 4.535 30 20 DJED CC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(C)cc1O 841761764 KWTAJHBFUAGCMI-UXHICEINSA-N 320.436 4.691 30 20 DJED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C=C3CCCC3)n2)cc1 918490163 PPVOCKHJIXROKD-INIZCTEOSA-N 322.433 4.795 30 20 DJED CCCCCCCCC(=O)N[C@H]1CCCc2cnn(C(C)C)c21 1116604892 ZVZUSDAYIMPSOX-KRWDZBQOSA-N 319.493 4.708 30 20 DJED Cc1ccc(C(=O)N2CCC[C@H]2CCC2CCCCC2)cc1C#N 1127193849 FTKVMAVVHQEQKD-FQEVSTJZSA-N 324.468 4.832 30 20 DJED N#Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 1131135005 UFNRPWZKWXCHAR-UHOFOFEASA-N 316.832 4.757 30 20 DJED CCCC[C@@H](CC)CCCN(C)C(=O)c1csc(C#N)c1 1131435644 AGWQVWJHPKIEDX-CQSZACIVSA-N 306.475 4.688 30 20 DJED Cc1c(Cl)cnc(N(C)Cc2cccc3ccccc23)c1C#N 1162189729 HIQUQAXFQGHPKK-UHFFFAOYSA-N 321.811 4.705 30 20 DJED CC1(C)C[C@@H](Nc2nc(C#N)c(Cl)s2)c2ccccc21 1162781689 VQOGUPNHLAUBPW-LLVKDONJSA-N 303.818 4.503 30 20 DJED N#Cc1cc2c(nc1SCc1ccc(CF)cc1)CCCC2 1165463839 PPXHPMGNUXAIIQ-UHFFFAOYSA-N 312.413 4.594 30 20 DJED Cc1ccc2ncc(CN(C)[C@H](C)c3cccc(C#N)c3)cc2c1 1171399392 GWSYESSTNAZFHR-MRXNPFEDSA-N 315.420 4.608 30 20 DJED Cc1cc(C#N)cc(NCc2ccc(C(F)(F)F)cc2C)c1 1202803883 DXXGAHFQPKXTKD-UHFFFAOYSA-N 304.315 4.806 30 20 DJED C[C@H]1CCc2sc(NC(=O)C(C)(C)C3CC3)c(C#N)c2[C@@H]1C 1274492577 ORWCKFJRZWLJLR-WDEREUQCSA-N 316.470 4.680 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N(C)C[C@H](C)C1CCCCC1 1310382131 JAMNBQGFHLUNLJ-HNNXBMFYSA-N 313.445 4.547 30 20 DJED CC(C)[C@H]1C[C@@H](NCc2cccc(OCC#N)c2)c2ccccc21 1322119475 IJCOLHNPXBGDFT-NHCUHLMSSA-N 320.436 4.563 30 20 DJED Cc1sc(NC(=O)C2(CC(C)C)CCCC2)c(C#N)c1C 1348407345 AUNXWLQVATZDII-UHFFFAOYSA-N 304.459 4.782 30 20 DJED CC(C)Oc1ccc(COc2cccc(F)c2C#N)cc1Cl 1459000365 WNFJAFOHOLDVSL-UHFFFAOYSA-N 319.763 4.717 30 20 DJED CC[C@H](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@@H](C)CC2 1524032174 ZVTGMSAOAZUUEE-CYDGBPFRSA-N 318.486 4.926 30 20 DJED CSc1cc(C(=O)Nc2cc3ccccc3cc2C#N)c(C)o1 1535801027 YHFDUDBXWMTWIF-UHFFFAOYSA-N 322.389 4.587 30 20 DJED C[C@H](CCC#N)Sc1nc2ccccc2n1-c1ccccc1 1559320258 RVOYAGCQLZQEIV-CQSZACIVSA-N 307.422 4.810 30 20 DJED CCCCN(Cc1ccc(F)cc1C#N)[C@H]1CCC[C@H](C)C1 1559870780 GASYINPPTHPVED-KXBFYZLASA-N 302.437 4.878 30 20 DJED CCC[C@H]1CCCC[C@H]1CNC(=O)Nc1cc(C)cc(C#N)c1 1562939521 LUOZHGWHZJEKGM-IRXDYDNUSA-N 313.445 4.595 30 20 DJED N#Cc1ccccc1N(C(=O)C1[C@@H]2CCCCCC[C@@H]12)C1CCC1 1586218135 UGXRXBCBGIQZCI-QZTJIDSGSA-N 322.452 4.660 30 20 DJED COc1ccc2nc(SCCC3(C#N)CCCCC3)[nH]c2c1 1613136161 QABJUKWMQRXPPL-UHFFFAOYSA-N 315.442 4.528 30 20 DJED COc1cc(Cl)c(Cl)cc1N[C@H](C)CC(C)(C)C#N 1621251093 ZNEOFUNZBRHTJF-SECBINFHSA-N 301.217 4.742 30 20 DJED Cc1cc(Oc2c(Br)cccc2C#N)ccc1F 1639625806 HHVWVIBMGQMBGT-UHFFFAOYSA-N 306.134 4.561 30 20 DJED CC(C)c1cccc2c1N(CCOc1cccc(C#N)c1)CCC2 1643446240 GUHIDYRZYFWNII-UHFFFAOYSA-N 320.436 4.513 30 20 DJED Cc1cc(NCC2(c3cccc(F)c3)CCCCC2)ncc1C#N 1650670541 SRRCLVRIHYDYPT-UHFFFAOYSA-N 323.415 4.715 30 20 DJED C[C@H](CCC#N)CN1CCC(c2cccc3ccccc23)CC1 1651820442 OYMNMEMAYVKCBP-QGZVFWFLSA-N 306.453 4.959 30 20 DJED CC(C)(C)[C@@H]1CCC[C@@H]1Nc1ccc(C#N)c(Br)c1 1651933157 OWWXIKHRVZDPSM-HIFRSBDPSA-N 321.262 4.947 30 20 DJED N#Cc1ccc(CSc2nc3ccc(F)cc3s2)cc1 1652201032 QJDXFUCMCIAFTP-UHFFFAOYSA-N 300.383 4.599 30 20 DJED Cc1ccc(CN(CCC#N)CC(C)(C)C)cc1Br 1653419503 PFNVYKOOHGJJHD-UHFFFAOYSA-N 323.278 4.519 30 20 DJED Cc1cc(CNc2cc(Br)ccc2C)ccc1C#N 1656151758 UTEVXFHOZMYVDJ-UHFFFAOYSA-N 315.214 4.550 30 20 DJED CCCC[C@@H](CCC)CNC(=O)Nc1scc(C)c1C#N 1671134504 SOVXBDVSRMCWDZ-CYBMUJFWSA-N 307.463 4.656 30 20 DJED CCCC[C@@H](CCC)CNC(=O)Nc1cc(C#N)c(F)cc1F 1672603902 PZMHVLHXKIEOEO-GFCCVEGCSA-N 323.387 4.564 30 20 DJED CC[C@@H](NC(=O)Nc1sccc1C#N)c1cccc(Cl)c1 1673279023 OMZSVFRRUWWXIT-CYBMUJFWSA-N 319.817 4.546 30 20 DJED CC1(C)Sc2ccccc2C(=O)/C1=C\c1ccc(C(=O)O)cc1 1776573264 ZIEMRKHVBPGWJQ-RVDMUPIBSA-N 324.401 4.535 30 20 DJED Cc1cc(C(=O)Nc2cccc(C#N)c2)c(C)n1C1CCCCC1 12608686 JMBJWSSKVXRWSF-UHFFFAOYSA-N 321.424 4.734 30 20 DJED C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc2ccccc2c1 24034452 QTEOQUZOEXDYMH-FQEVSTJZSA-N 314.388 4.592 30 20 DJED Cc1cc(Cl)ccc1N[C@@H](C)c1ccc(OCC#N)cc1 37217094 MJCPBQIELHBDLE-ZDUSSCGKSA-N 300.789 4.724 30 20 DJED Cc1ccc(Br)cc1N[C@H](C)c1cccc(C#N)c1 37305714 XYVDWCHLODYXNE-GFCCVEGCSA-N 315.214 4.802 30 20 DJED N#Cc1c(F)cccc1Sc1ccccc1Br 39037929 ALCHUQQWLNSIMJ-UHFFFAOYSA-N 308.175 4.611 30 20 DJED CC(C)(C#N)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 61261197 DRAFGGUZPYNKEZ-UHFFFAOYSA-N 314.772 4.621 30 20 DJED C=CCC(CC=C)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 121689382 KVKIAPVMRAIZTE-UHFFFAOYSA-N 320.436 4.552 30 20 DJED N#Cc1ccc(CNc2ccc(OC3CCCC3)c(Cl)c2)o1 157348128 JXYHSZMKZFWAGR-UHFFFAOYSA-N 316.788 4.738 30 20 DJED C=CCOc1ccccc1CN[C@H](C)c1cnc2ccsc2c1 161522580 MDIAZHGROMPEIL-CQSZACIVSA-N 324.449 4.712 30 20 DJED Cc1c(COc2ccccc2)cccc1NCc1ccc(C#N)o1 177563723 GWSNGUGJFYPRJZ-UHFFFAOYSA-N 318.376 4.651 30 20 DJED C[C@H](NCc1ccc(C#N)c(F)c1)c1cc2ccccc2s1 192182006 WCTASQUQVOIAHX-LBPRGKRZSA-N 310.397 4.763 30 20 DJED C[C@H](Nc1c(F)cccc1Br)c1cccc(C#N)c1 232120751 RBMHVXIDSYYYLX-JTQLQIEISA-N 319.177 4.633 30 20 DJED OC(=Nc1ncc(-c2ccccc2)cn1)[C@@H]1CCCC(F)(F)C1 328856355 XXBXBXBTRJZVSW-CYBMUJFWSA-N 317.339 4.557 30 20 DJED CC[C@@H](C)n1ncc(N=C(O)N(C)CCC2CCCCC2)c1C 331152328 USOOXLJTSXNBJS-CQSZACIVSA-N 320.481 4.610 30 20 DJED N#CC1(CCN2CCC(OC3CCCCC3)CC2)CCCCC1 411223693 PLTYGXJWICNYJP-UHFFFAOYSA-N 318.505 4.664 30 20 DJED N#Cc1cnc(Oc2ccc(C3CC3)cc2Cl)c(Cl)c1 432167344 PQEPOVIWOSHDTE-UHFFFAOYSA-N 305.164 4.930 30 20 DJED C=CCC[C@@H](NC(=O)N(C)Cc1ccccc1C)c1ccccc1 435109177 RFCZGMADMYCGCZ-HXUWFJFHSA-N 322.452 4.844 30 20 DJED CC#CCCCC(=O)Nc1cccnc1Oc1cccc(C)c1C 464439357 OLCXAFRRANZUPE-UHFFFAOYSA-N 322.408 4.623 30 20 DJED C=CCSc1ccccc1C(=O)Nc1ccc2ccoc2c1 467898436 BMLAIOXBOVJWLE-UHFFFAOYSA-N 309.390 4.963 30 20 DJED COc1ccc(C#N)cc1N[C@H](C)c1ccc(F)c(Cl)c1 493838779 ZALLNERMZQPDQQ-SNVBAGLBSA-N 304.752 4.532 30 20 DJED Cc1c(C(=O)Nc2ccc(C#N)cc2Cl)oc2c(C)cccc12 494610118 XJVJEXSRQYSVOK-UHFFFAOYSA-N 324.767 4.827 30 20 DJED C=CCC(C)(C)C(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 498325991 ZUOZVXUKCNJHHX-HNNXBMFYSA-N 303.421 4.524 30 20 DJED C=CCn1c(C)nnc1SCc1ccc(SC(C)C)cc1 510265488 UKVGALZQXWLUAD-UHFFFAOYSA-N 319.499 4.565 30 20 DJED N#Cc1ccc(CNCC(c2ccccc2)c2ccccc2)s1 538314865 ZTSQYALRIASICH-UHFFFAOYSA-N 318.445 4.541 30 20 DJED C[C@H]1CCCC[C@H]1c1noc(-c2ccc(C3(C#N)CC3)cc2)n1 547098745 QTTUMKOSTSIHEM-XJKSGUPXSA-N 307.397 4.585 30 20 DJED C=CCC(C)(C)c1noc(COc2ccccc2C(C)C)n1 556349022 WPBHWCHAHUJGPE-UHFFFAOYSA-N 300.402 4.626 30 20 DJED Cc1ccc(C#N)c(SCc2ccc(C(F)(F)F)cc2)n1 561317887 OUEQZPFPYFJOFD-UHFFFAOYSA-N 308.328 4.573 30 20 DJED C=C[C@@](C)(CC)c1nc(Cc2cccc(C(F)(F)F)c2)no1 567081914 LFRPBSZMDNLZKU-HNNXBMFYSA-N 310.319 4.533 30 20 DJED CCc1cc(C#N)c(NC(=O)[C@@H](C)c2cccc(Cl)c2)s1 567157728 UQZQDPQWMNYWQB-JTQLQIEISA-N 318.829 4.578 30 20 DJED CC[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cccc(Cl)c1 570131451 MYNVUHPNESLLRF-RTBURBONSA-N 310.828 4.940 30 20 DJED C=CCC[C@H](CC)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 570553376 LJMDYPMHMQESEF-DOMZBBRYSA-N 319.836 4.785 30 20 DJED Cc1ccc(-c2ncccc2NC(=O)CCCCCC#N)s1 588759562 PBBLNCGJGIEKSI-UHFFFAOYSA-N 313.426 4.531 30 20 DJED N#CC1(CC[S@](=O)Cc2cc3ccccc3o2)CCCCC1 591345503 RFSMRJNFGPAUHB-QFIPXVFZSA-N 315.438 4.546 30 20 DJED CC(C)=C[C@@H]1[C@H](C(=O)N(Cc2ccc(C#N)cc2)C(C)C)C1(C)C 603527626 XFDOSHUEDUCZOP-RTBURBONSA-N 324.468 4.534 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(SCC2CCCC2)n1 603722366 KVENTKOGMXMNEL-UHFFFAOYSA-N 300.349 4.563 30 20 DJED CC(C)Oc1cccc(CSCc2cc(C#N)ccc2F)c1 609237757 DUEARTSQDLTWMS-UHFFFAOYSA-N 315.413 4.918 30 20 DJED Cc1cc(C#N)ccc1CN[C@H](C)c1ccccc1OC(C)C 614407691 WVYSHGBEKLAHJJ-MRXNPFEDSA-N 308.425 4.505 30 20 DJED N#Cc1c(F)cccc1NCCc1cc(Cl)cc(Cl)c1 722131179 WHNHSEANKCTKAI-UHFFFAOYSA-N 309.171 4.659 30 20 DJED C=CCCOC(=O)c1sc(-c2ccc(Cl)cc2)nc1C 729073238 IJUNAWPMMUAEHN-UHFFFAOYSA-N 307.802 4.505 30 20 DJED Cc1ccsc1C(=O)/C=C/c1ccccc1Br 733749550 OHRYKDCXXDGALL-VOTSOKGWSA-N 307.212 4.715 30 20 DJED COc1cccc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)c1 741473941 VGNJDTQFZQMBGT-HJWRWDBZSA-N 315.372 4.653 30 20 DJED COc1cccc(C=Nc2ccc(SC)c(Cl)c2)c1O 747864590 RRZCMZFFXLCTPD-UHFFFAOYSA-N 307.802 4.527 30 20 DJED COc1ccc(C(=O)/C=C/c2ccccc2C#N)c2ccccc12 755581534 NTWBDLOBYSELEP-ZRDIBKRKSA-N 313.356 4.616 30 20 DJED C#CCCCCCC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 779927891 BOZFFQZOZKKENU-QGZVFWFLSA-N 320.436 4.510 30 20 DJED CC(CCCCN(C)C)=NNc1ccc(Cl)cc1Cl 781118201 JPQKPSFSPFBXPL-UHFFFAOYSA-N 302.249 4.513 30 20 DJED C#CCC(C)(C)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 786672391 WXIFDLIVORQYFV-UHFFFAOYSA-N 319.832 4.507 30 20 DJED Cc1cc(C(=O)/C=C\c2ccc(-c3ccc(Cl)cc3)o2)no1 798230752 PGBVRMGRTYMUEU-VURMDHGXSA-N 313.740 4.793 30 20 DJED CC#CC(=O)Nc1ccc(Cl)cc1-c1cccc(Cl)c1 801282336 ZNFCNSPEWCUKPH-UHFFFAOYSA-N 304.176 4.622 30 20 DJED Cc1ccc(OC(F)F)c(/C=C\C(=O)c2coc(C(C)C)n2)c1 806558133 STJNYVKOFSHUOA-WAYWQWQTSA-N 321.323 4.604 30 20 DJED CC[C@@H](c1ccccc1)N(CC)C(=O)/C=C\c1ccccc1C#N 914507143 FSFKTPZUBIXTNP-KYFVDPIZSA-N 318.420 4.571 30 20 DJED CC(=NNc1ccnc2cc(Cl)ccc12)c1ccccc1F 916269382 KUBIWTWHOOWHGL-UHFFFAOYSA-N 313.763 4.863 30 20 DJED CC(=NNc1ncccc1Cl)c1ccc(Cl)cc1Cl 917549638 XRYKQRQQXNDUBB-UHFFFAOYSA-N 314.603 4.878 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1ccc(C(C)(C)C)s1 1136679194 CFABPSONOQGGPV-UHFFFAOYSA-N 320.502 4.838 30 20 DJED C[C@@H](CC(C)(C)C#N)NC1CCC(c2ccc(F)cc2)CC1 1180716529 UCOFTJHTLUPQSM-NXVRBGIVSA-N 302.437 4.770 30 20 DJED CCNc1ccccc1CN(Cc1ccc(C#N)cc1)CC(C)C 1204697627 UAJBTXHXNHIZQH-UHFFFAOYSA-N 321.468 4.648 30 20 DJED Cc1ccc(C2(CNCc3ccc(C#N)cc3F)CCC2)cc1C 1308391776 UQLJTBGZWVXIBC-UHFFFAOYSA-N 322.427 4.526 30 20 DJED N#Cc1ccccc1-c1ccccc1-c1nnc(C2CCC2)o1 1326251868 WMPJJPCJHNQAOP-UHFFFAOYSA-N 301.349 4.543 30 20 DJED CC1(CCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 1435109433 OJVXHGAOMZSCRB-UHFFFAOYSA-N 320.392 4.869 30 20 DJED N#Cc1ccc(CNC(=O)CCC2CCCCCC2)cc1Cl 1459481111 RNEHCRAFVZEBFE-UHFFFAOYSA-N 318.848 4.578 30 20 DJED Cc1ccc(Cl)cc1Oc1ccccc1CNC[C@H](C)C#N 1461815238 FFEXAOBKKINAOO-CYBMUJFWSA-N 314.816 4.690 30 20 DJED Cc1c(Br)cccc1CSc1ccc(C#N)cc1 1472977329 CWJILFGXIWVNLH-UHFFFAOYSA-N 318.239 4.922 30 20 DJED CC(C)(C(=O)O[C@H]1CCC[C@H](C#N)C1)c1ccc2ccccc2c1 1525049014 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COc1ccc2cc(CN(C)CC(C)(C)CCC#N)ccc2c1 506039950 FPCWWUWSBWECQF-UHFFFAOYSA-N 310.441 4.610 30 20 DJED N#Cc1ccnc(N2CCC[C@@H]2c2cccc(Cl)c2)c1Cl 561134020 AXUZZYSNRFJTKV-CQSZACIVSA-N 318.207 4.602 30 20 DJED CCn1c([C@H](C)Nc2ccc(C#N)c(Cl)c2)nc2ccccc21 566711281 IZSRQWSCDIMLJU-LBPRGKRZSA-N 324.815 4.754 30 20 DJED CC[C@H](C)Sc1ccc(NC(=O)C2(C#N)CC(C)C2)c(C)c1 567591210 OYPNDSOCIWDVHH-FHBSJOOWSA-N 316.470 4.764 30 20 DJED CC(C)Sc1ccc(CN2CCC(CCC#N)CC2)cc1 567791557 VYYWKFSUVWLHJJ-UHFFFAOYSA-N 302.487 4.703 30 20 DJED CC(C)(C#N)CCSCCn1ccc2cc(Cl)ccc21 589578258 NWHCIIHCURXQFT-UHFFFAOYSA-N 306.862 4.968 30 20 DJED N#Cc1cc(F)cc(Cl)c1Oc1nc(C2CCCC2)ns1 596445253 DANZMOGSMPUOMG-UHFFFAOYSA-N 323.780 4.652 30 20 DJED N#CC[C@@H](CC(=O)N1CC[C@H](C2CCCCC2)C1)c1ccccc1 598154066 SRZWLCUQMCZFFS-PMACEKPBSA-N 324.468 4.503 30 20 DJED C=CCC[C@H](NCc1c(F)c(F)cc(F)c1F)c1ccco1 671752919 BEAJBGKKELVWCN-ZDUSSCGKSA-N 313.294 4.633 30 20 DJED CCC(CC)(C(=O)OCCCCC#N)c1ccc(Cl)cc1 726839289 VCXSEZGKWMLSEY-UHFFFAOYSA-N 307.821 4.635 30 20 DJED C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CC=CCC2)c1 728181416 GVISXIRXSVRBHT-QGZVFWFLSA-N 321.445 4.619 30 20 DJED O=C(/C=C\c1cc(Cl)cc(Cl)c1)c1ccc(O)c(F)c1 728438748 MYOSJTKPLHATNS-IWQZZHSRSA-N 311.139 4.734 30 20 DJED CCCCCCCCCC(=O)N1CCOC[C@H]1c1ccc(C)o1 735025301 OPWRRGVPCYAQJX-KRWDZBQOSA-N 321.461 4.629 30 20 DJED CCCC(C)=NNc1nc2cc(C(F)(F)F)ccc2s1 743445140 GGPVILLTEADTHD-UHFFFAOYSA-N 301.337 4.903 30 20 DJED CC(C)N(CCC#N)Cn1c(-c2ccccc2)csc1=S 747453577 FVMWZAWUFMGIBN-UHFFFAOYSA-N 317.483 4.528 30 20 DJED CC(=NNc1c(Cl)cc(F)cc1Cl)c1ccc(N)cc1 767911537 VAMXARDKGVONTQ-UHFFFAOYSA-N 312.175 4.551 30 20 DJED C=C(C)[C@@H](NC(=O)/C=C/C(=C/C)CC)c1ccc(F)c(F)c1 772317804 AMBBCHSGLDJVGY-PBPDJNRISA-N 305.368 4.611 30 20 DJED C[C@H](NCCCCC1CCCC1)c1ccc(OCC#N)cc1 776162158 CNBCWRQRGMBPDH-INIZCTEOSA-N 300.446 4.600 30 20 DJED C/C=C(\CC)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 788838931 KMAWGFCWZKDMHL-CRKCGEKBSA-N 306.365 4.645 30 20 DJED C/C=C(\CC)C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 789626602 QCUUFMCMSZAACG-KGVSQERTSA-N 322.433 4.680 30 20 DJED CC(C)(C)c1cnc(/C=C\C(=O)c2ccccc2Cl)s1 790599490 ZLCCVWSUEPAMOH-HJWRWDBZSA-N 305.830 4.990 30 20 DJED CC(C)(C#N)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 792762994 UWIAXXOGKOHOBJ-UHFFFAOYSA-N 314.388 4.893 30 20 DJED C#CCN(Cc1ccccc1)C(=S)Nc1ccc(C(C)C)cc1 795166358 RDGKCQYDSJPBJJ-UHFFFAOYSA-N 322.477 4.642 30 20 DJED O=C(/C=C/c1cccnc1)c1ccc(-c2c(F)cccc2F)cc1 811696523 FEMSOYPRHZEGQT-IZZDOVSWSA-N 321.326 4.923 30 20 DJED CC(=NNc1ccccc1Cl)c1cnn(-c2ccccc2)c1C 818201455 WXCSSNGGNNHXPZ-UHFFFAOYSA-N 324.815 4.670 30 20 DJED CCOc1ccc(NC2CCC(C)(C#N)CC2)c2ncccc12 824175964 GUAAVFCNQOCWGW-UHFFFAOYSA-N 309.413 4.518 30 20 DJED COc1cccc2cc(/C=C\C(=O)c3cccc(Cl)c3)oc12 916137503 AMJPTLMRBKTMBX-HJWRWDBZSA-N 312.752 4.991 30 20 DJED CCCCCCCC(=O)Nc1ccccc1OCC(F)(F)F 918184911 SBIOHRNWWQLYAJ-UHFFFAOYSA-N 317.351 4.927 30 20 DJED CCCCCCCCCN(C)C(=O)c1cnn(C(C)(C)C)c1C 918397765 NAWUXKJPYOSGGL-UHFFFAOYSA-N 321.509 4.769 30 20 DJED C/C(=C\C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C1CC1 921011501 YNZQRMDRFCACBS-WYMLVPIESA-N 318.376 4.645 30 20 DJED N#CCOc1cccc(CN[C@@H](CC2CCC2)c2ccccc2)c1 1116476595 RALCVGWIIBRBHD-NRFANRHFSA-N 320.436 4.610 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)C[C@@H]1CC[C@H]2C[C@@H]12 1125171960 FGPZATLZVPHRPW-OFQRWUPVSA-N 322.433 4.661 30 20 DJED CCCc1cccc(CNc2cc(C#N)ccc2OC(C)C)c1 1178901296 OLMVBFAIPIPRSI-UHFFFAOYSA-N 308.425 4.910 30 20 DJED Cc1ccccc1[C@@H]1C[C@@H](C)N([C@@H](C)c2cccc(C#N)c2)C1 1307487548 BHPMGEBSYHOIAJ-FUHIMQAGSA-N 304.437 4.806 30 20 DJED C#CCCCCc1nnc([C@H](C)Oc2ccc3ccccc3c2)o1 1328231596 LQHGZHYQSQPDPJ-HNNXBMFYSA-N 320.392 4.709 30 20 DJED Cc1cc(C(=O)O[C@H](C)c2cccc(C#N)c2)c(C)cc1Cl 1355925696 CKLIJJKMQYQHMN-CYBMUJFWSA-N 313.784 4.747 30 20 DJED CCC[C@@H](CC(C)C)C(=O)Nc1cc(C#N)ccc1OC(F)F 1358497851 ZBYXXVKADWOKQF-ZDUSSCGKSA-N 324.371 4.561 30 20 DJED CCN(C(=O)C(CC(C)C)CC(C)C)c1ccc(C#N)cc1 1360939223 JTIQOYXJMNZRBF-UHFFFAOYSA-N 300.446 4.620 30 20 DJED Cc1cccc([C@H](C)Sc2nc3c(c(C)c2C#N)CCC3)c1 1472952752 WJNLJDIAQVWFGX-AWEZNQCLSA-N 308.450 4.912 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1CC2(CCC2)c2c(F)cccc21 1473224659 RCXWAJKPTPWSOD-AWEZNQCLSA-N 306.384 4.700 30 20 DJED CCc1c(C)sc(NC(=O)c2ccc(C)c3c2CCC3)c1C#N 1536890225 XDSYBFCXRFWXAW-UHFFFAOYSA-N 324.449 4.540 30 20 DJED Cc1cccc(COc2cccc(Nc3cccc(C#N)n3)c2)c1 1559112561 CIRABCRDKREARX-UHFFFAOYSA-N 315.376 4.584 30 20 DJED C[C@H](CC(=O)Nc1cc(C#N)ccc1NC1CC1)CC(C)(C)C 1617676276 OIQMZCDYWDBHLR-CYBMUJFWSA-N 313.445 4.533 30 20 DJED CC(C)[C@@H]1N(C(=O)CC2(C#N)CCCCC2)CC12CCCCC2 1637609439 WVFIHFZKMAQMCM-SFHVURJKSA-N 316.489 4.668 30 20 DJED CC(C)c1cc(Sc2ccc(C#N)cc2F)nc(C(C)C)n1 1639492585 FAUHZTWKHFTGON-UHFFFAOYSA-N 315.417 4.885 30 20 DJED CC[C@@](C)(NCc1ccc(Cl)cc1C#N)c1ccc(F)cc1 1644112081 FVRDVQJGZIYDKJ-GOSISDBHSA-N 316.807 4.766 30 20 DJED Cc1ccc([C@H]2CCCCCN2Cc2ccc(C#N)cc2C)o1 1644682696 UOSQXPUXWNTUKK-LJQANCHMSA-N 308.425 4.885 30 20 DJED CC(C)[C@@H]1CCCCCN1Cc1cc(Cl)ccc1OCC#N 1653043827 DNMSYNDKEVWXFR-KRWDZBQOSA-N 320.864 4.643 30 20 DJED Cc1cc(C)c(Nc2nnc(SCCC#N)s2)c(Cl)c1 8355788 ZAABATZMENLYEU-UHFFFAOYSA-N 324.862 4.558 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1ccc(F)c(Cl)c1 43268921 VZEPGWXHYAEDME-UHFFFAOYSA-N 324.808 4.761 30 20 DJED CCSc1ccc([C@@H](C)NCc2cc(C#N)ccc2F)cc1 90117783 PFIGAMAKKOGEHJ-CYBMUJFWSA-N 314.429 4.660 30 20 DJED CCN1CCOC[C@@H]1C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 160194654 BNMDQAPZRAHAJT-HNNXBMFYSA-N 329.400 1.179 30 20 DJED C[C@@H](C#N)Oc1ccc(CN[C@@H](c2ccccc2)C(C)(C)C)cc1 237704771 HAVJTBRPJSVVBL-JXFKEZNVSA-N 322.452 4.854 30 20 DJED CC(C)Oc1ccccc1NC(=O)c1ccc(C(C)(C)C#N)cc1 280143065 DVRWRSSFTSCAFK-UHFFFAOYSA-N 322.408 4.527 30 20 DJED Cc1cc(N[C@@H](C)c2cccc(C#N)c2)c2cc(F)ccc2n1 301663190 KHHPNJRUJBXNFR-ZDUSSCGKSA-N 305.356 4.727 30 20 DJED Cc1nc(S[C@@H](C)c2ccc(C#N)cc2)n(CC(C)C)c1C 303703342 OMFWFVSLEMKYBP-HNNXBMFYSA-N 313.470 4.881 30 20 DJED CC1(C)CC[C@@H]2C[C@H](/N=C(/O)CCc3cnc[nH]3)c3cccc1c32 329380625 NPCDJWBDYFNTIW-DYVFJYSZSA-N 323.440 4.599 30 20 DJED CC(C)[C@H]1OCC[C@@H]1C/N=C(/O)[C@H](C)c1cc2ccccc2o1 330314164 XRZPJKOKPMLVHQ-DDUZABMNSA-N 315.413 4.554 30 20 DJED CCCCCc1ccc(NC(=O)N(CCC#N)CC2CC2)cc1 429219620 CBODNQIFOKKPFR-UHFFFAOYSA-N 313.445 4.577 30 20 DJED C=C(C)CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444740191 VQXOTMJXYUFBLH-LBPRGKRZSA-N 311.269 4.865 30 20 DJED CC(C)CCN(CCC#N)C(=O)Nc1ccccc1C(C)(F)F 455773001 OFROXPVEDVSFEI-UHFFFAOYSA-N 323.387 4.592 30 20 DJED C=CCC[C@H](C(=O)N(C)[C@H](C)c1ccccc1)c1ccccc1 489608264 UBJDMNVDXKOCFT-XLIONFOSSA-N 307.437 4.956 30 20 DJED CCN(C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1)[C@H](C)c1ccc(C#N)cc1 502727109 PEYUAJWYXRYXFR-OLMMMNRUSA-N 312.457 4.540 30 20 DJED N#C[C@@H](Sc1ccc(C(F)(F)F)cn1)C1CCCCC1 522331905 KLLCYMWYIVCYSH-GFCCVEGCSA-N 300.349 4.665 30 20 DJED C[C@@H](NCCC(C)(C)C#N)c1cc(F)c(Cl)cc1Cl 539615088 HTWDPJPORIHYCJ-SECBINFHSA-N 303.208 4.723 30 20 DJED Cc1cc(C)cc(Oc2ccc(NC[C@H](C#N)CCC#N)cc2)c1 554487785 LHVHHFDBHBRKIZ-KRWDZBQOSA-N 319.408 4.951 30 20 DJED C=CCC(F)(F)c1nc(-c2cccc(-c3cscn3)c2)no1 559966001 SIYYRZYEEYNOEX-UHFFFAOYSA-N 319.336 4.528 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CC[C@H](C)CC1 573123563 JMSWHMQCBNCHBQ-KKUMJFAQSA-N 316.470 4.846 30 20 DJED Cc1cccc([C@@H](NCc2ccc(CC#N)cc2)C(C)(C)C)c1 582383451 BGSCGVYLGBELRQ-HXUWFJFHSA-N 306.453 4.938 30 20 DJED CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)CCCCCC#N 588679963 ZJDOVVBRPMRCRO-FXAWDEMLSA-N 312.457 4.536 30 20 DJED Cc1ccc2c(Cl)c(C(=O)NCC(C)(C)CC#N)sc2c1 590916079 MYWPIDNCJLGWLO-UHFFFAOYSA-N 320.845 4.533 30 20 DJED COc1ccc([C@@H](CC(C)C)NCC(C)(C)CCC#N)cc1 592390073 JZNRUTRKDJRQEN-GOSISDBHSA-N 302.462 4.702 30 20 DJED N#Cc1cc(F)c(NCCNc2cccc3ccccc23)c(F)c1 604533118 ZXWFRUASHWXMLU-UHFFFAOYSA-N 323.346 4.514 30 20 DJED CCCC[C@H](C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 619689291 YEIRBBJIXKMCON-AWEZNQCLSA-N 323.396 4.510 30 20 DJED Cc1ccc2c(c1)[C@H](NCc1ccc(C#N)c(Cl)c1)CCC2 619755276 VMILJOSBBYDJGQ-LJQANCHMSA-N 310.828 4.687 30 20 DJED C=C(C)[C@H](Nc1ncc(Cl)s1)c1ccc(F)c(F)c1 681238590 CKZWULSJRAEHQK-LBPRGKRZSA-N 300.761 4.804 30 20 DJED C#CCOc1ccc(CN[C@@H](c2ccccc2)C(C)(C)C)cc1 733324322 PIEZZPUADPZVPL-FQEVSTJZSA-N 307.437 4.576 30 20 DJED CCCCCCCCC(=O)OCc1cc2ccccc2nc1O 733451542 KSNJUVXSOICPON-UHFFFAOYSA-N 315.413 4.734 30 20 DJED Cc1ncsc1/C=C1/CCCc2ccc(Cl)cc2C1=O 742434470 JWLAONJCJRDVDA-GHXNOFRVSA-N 303.814 4.708 30 20 DJED C[C@@H]1Sc2sccc2C(=O)/C1=C\c1ccc(O)c(Cl)c1 742437361 TZKZJHODQFWGEU-OITNDJBGSA-N 322.838 4.868 30 20 DJED CC1(C)C(=NNc2ccc(Cl)c(Cl)c2)[C@H]2CCCO[C@@H]21 743436011 RNYDEINUOBOFQV-YGRLFVJLSA-N 313.228 4.596 30 20 DJED CC/C(=C\C(=O)N(CC#N)c1ccccc1)c1cccc(Cl)c1 745980067 VXOYYBOBZOQLKV-CCEZHUSRSA-N 324.811 4.690 30 20 DJED O=C(/C=C\c1cccc2ccccc12)c1cc([N+](=O)[O-])ccc1F 752873409 FDJRDUOITOAHRF-FLIBITNWSA-N 321.307 4.783 30 20 DJED CSc1ccc(C(C)=NNc2ccc(C#N)cc2)c(Cl)c1 763355279 ZHWVXKXQZVTBJS-UHFFFAOYSA-N 315.829 4.770 30 20 DJED Cc1ccc([C@@H]2CCCN2Cc2ccc(O[C@@H](C)C#N)cc2)cc1 768235890 AOIZQYBZVNGKBY-UWJYYQICSA-N 320.436 4.623 30 20 DJED CC[C@H](C)Oc1cc(/C=C/C(=O)c2occc2C)ccc1OC 769783997 LXEUGKHGMLGITP-OWNNVSBGSA-N 314.381 4.670 30 20 DJED C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)c2ccc[nH]2)cc1 773114964 DKTDNFRPMRQOBN-ZIAGYGMSSA-N 304.821 4.558 30 20 DJED C[C@H](N[C@H](CCC#N)c1ccccc1)c1cc2ccccc2[nH]1 775627027 FKQAPDPDAFOXQM-MAUKXSAKSA-N 303.409 4.864 30 20 DJED CC(=NNc1c(Cl)cccc1Cl)C1CCSCC1 777443643 SPSBVXMTYJOFHU-UHFFFAOYSA-N 303.258 4.924 30 20 DJED C#CCCCCCC(=O)Nc1cccnc1-c1csc(C)c1 782922894 FQWRVEMKYIRWBA-UHFFFAOYSA-N 312.438 4.641 30 20 DJED Cc1cc(C(=O)/C=C/c2cccc(Oc3ccccc3)c2)no1 791433070 PGOSJGZCLYLDPN-ZHACJKMWSA-N 305.333 4.671 30 20 DJED Cc1cc(NC(=O)C2(C#N)CC(C)C2)ccc1-c1ccccc1 792826228 PBTQLGMBTYXTGM-UHFFFAOYSA-N 304.393 4.540 30 20 DJED COc1ccc([C@@H](C)C(C)=NOC2CCCCC2)cc1OC 794535520 ISDRFAJNSVHSJD-ZDUSSCGKSA-N 305.418 4.533 30 20 DJED C#Cc1ccc(CN[C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 809629543 UJRNYGPGNDLFJQ-QGZVFWFLSA-N 321.317 4.590 30 20 DJED C=CCCCCCCN[C@@H](C)c1ccc(Br)nc1 810239776 GSWAYGBIKGZXKN-ZDUSSCGKSA-N 311.267 4.631 30 20 DJED CC(C)CC(CC(C)C)C(=O)[C@H](C#N)c1nc2ccccc2o1 835077143 PSNVTLZZFSBPDZ-HNNXBMFYSA-N 312.413 4.712 30 20 DJED Fc1ccc(CON=C[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 853333326 HPJIJCPBPWLYSG-STQMWFEESA-N 303.299 4.697 30 20 DJED Cc1c(-c2nc(-c3cccs3)no2)sc2ccc(C#N)cc12 904279733 WQDOGUBWTMGYEO-UHFFFAOYSA-N 323.402 4.860 30 20 DJED C=CCN(Cc1ccccc1)C(=O)/C=C\Sc1ccccc1 914611005 WOKUOENILXDSEE-SQFISAMPSA-N 309.434 4.507 30 20 DJED CSc1ccccc1[C@H](C)NC1(c2cccc(C#N)c2)CC1 1117075216 KZKPBXFHROSAGF-AWEZNQCLSA-N 308.450 4.620 30 20 DJED CC1(C)CCC[C@@H]1CNc1c(C#N)cnc2c(Cl)cccc12 1163364724 WVKFCWALJVVIFU-CYBMUJFWSA-N 313.832 4.998 30 20 DJED Cc1ccc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1C 1167464683 OXIFHNYKHJNICF-SFTDATJTSA-N 304.437 4.575 30 20 DJED COc1ccccc1[C@H]1CC[C@H](C)CN1c1cccc(F)c1C#N 1186403877 CVNSRWXFXWAFRH-IFXJQAMLSA-N 324.399 4.684 30 20 DJED CCC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 1214367949 MWWJLYKXOPLMCB-MLGOLLRUSA-N 319.836 4.692 30 20 DJED C[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@H](C)c1ccccc1 1306987114 WAFDIUKHRRVWEC-NWDGAFQWSA-N 319.330 4.576 30 20 DJED CCCC1CCC(N(C)c2nc(C)c(C#N)cc2Cl)CC1 1307108570 MDXWEXHXBCVXFB-UHFFFAOYSA-N 305.853 4.710 30 20 DJED N#CCCN(Cc1ccc(C2CCCC2)cc1)Cc1ccco1 1307512709 FDUXFDRTFTUCIL-UHFFFAOYSA-N 308.425 4.853 30 20 DJED C[C@H](Cc1ccccc1Cl)c1nnc(-c2cccc(C#N)c2)o1 1326524210 SXHVVUBRGUOJND-GFCCVEGCSA-N 323.783 4.608 30 20 DJED Cc1nc(CON=Cc2cccc(Cl)c2Cl)c(C)s1 1341040935 WUWRELLXBLWBFB-UHFFFAOYSA-N 315.225 4.617 30 20 DJED C[C@@H](CCC(C)(C)C)C(=O)Nc1sc2c(c1C#N)CCCC2 1348365442 QVHURZRBQQFJQA-LBPRGKRZSA-N 318.486 4.899 30 20 DJED CCC(CC)[C@H](NC(=O)c1ccc(C#N)cc1F)c1ccccc1 1353904736 HLAOHYVJBSELSX-IBGZPJMESA-N 324.399 4.605 30 20 DJED C[C@H]1CC[C@H](C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 1359977383 MVAIGQSCETUKSZ-HOCLYGCPSA-N 320.392 4.725 30 20 DJED C[C@H](OC(=O)[C@H](C)c1ccc(Cl)cc1)c1ccc(C#N)cc1 1361168504 ILJNWGSVBUKPAJ-OLZOCXBDSA-N 313.784 4.620 30 20 DJED Cc1c([C@H](C)OC(=O)c2ccc(C#N)cc2F)oc2ccccc12 1435884082 KAYFYDINEQTVCC-LBPRGKRZSA-N 323.323 4.670 30 20 DJED Cc1cccc(C)c1[C@@H](C)OC(=O)C[C@@H](CC#N)c1ccccc1 1458064742 WEGVGEZBRZVIHZ-IEBWSBKVSA-N 321.420 4.995 30 20 DJED Cc1nc(N(C)[C@@H]2CCC[C@H]2C(C)(C)C)c(Cl)cc1C#N 1458444804 KJTJDQVZIRMLFM-UKRRQHHQSA-N 305.853 4.566 30 20 DJED CO[C@H]1CCC[C@@H](Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1462129549 TXDSXSRXVGFWEN-APWZRJJASA-N 322.408 4.720 30 20 DJED CCCCC1CCC(C(=O)N2CCCC(C)(C)[C@H]2C#N)CC1 1525268340 ORSBIBXECWAXCL-OFLPRAFFSA-N 304.478 4.524 30 20 DJED CC[C@H]1CCCC[C@H]1C(=O)N(c1cccc(C#N)c1)C1CCC1 1528693736 PRZMEKCEEBYARZ-QFBILLFUSA-N 310.441 4.660 30 20 DJED CC[C@H]1CCc2ccccc2N1C(=O)CC1(C#N)CCCCC1 1532145178 XDDJMDJMBXKDQJ-KRWDZBQOSA-N 310.441 4.609 30 20 DJED Cc1ccc(N(CCC#N)C(=O)[C@H](C)CCC(C)(C)C)cc1 1542615468 SSCPJHRYNAHKDX-MRXNPFEDSA-N 300.446 4.704 30 20 DJED C[C@H](CSCc1cn2ccccc2c1C#N)c1ccccc1 1559408834 QRMSWFCUBZTTCR-OAHLLOKOSA-N 306.434 4.848 30 20 DJED Cc1cc(NC[C@@H]2CC[C@H](C)C2)n2c(nc3ccccc32)c1C#N 1639868056 MDZRHLRXJQUCIL-DZGCQCFKSA-N 318.424 4.516 30 20 DJED CCN(Cc1ccc(Cl)cc1C#N)c1cccc(Cl)c1 1642061549 UCKVRWWUSVJECC-UHFFFAOYSA-N 305.208 4.892 30 20 DJED CC(C)c1ccc([C@H]2CCCCN2c2ncccc2C#N)cc1 1642528629 PROUTSFIVZVZHR-LJQANCHMSA-N 305.425 4.808 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CC[C@](C)(CCc2ccccc2)C1 1644758916 HCDOSTLSCIMBCI-GCJKJVERSA-N 318.464 4.964 30 20 DJED CCCc1ccc(COc2c(C#N)cnc3ccc(C)cc23)cc1 1652855931 LNWHWMCOTXSNML-UHFFFAOYSA-N 316.404 4.946 30 20 DJED N#C[C@@H](c1ccccc1)N1CCC(c2cccc(Cl)c2)CC1 1653403925 NDYNCADGVLEPNS-IBGZPJMESA-N 310.828 4.784 30 20 DJED CCOC(=O)Nc1ccc(N[C@H](CC)C[C@H](C)CC)cc1C#N 1657733664 GRJQLIRKFPLQBM-UKRRQHHQSA-N 317.433 4.753 30 20 DJED C=C(Br)CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C 1657956609 DHHYMEGADPBZOM-CUOATXAZSA-N 314.654 4.535 30 20 DJED CCCc1ccc(CNc2cc(C#N)ccc2OCC)s1 1658086898 MQNZKOJSIWKALB-UHFFFAOYSA-N 300.427 4.583 30 20 DJED C[C@H](Cc1cccc(C(F)(F)F)c1)Nc1cc(F)cc(C#N)c1 1660486295 DEELVYOHFURNAF-LLVKDONJSA-N 322.305 4.759 30 20 DJED C[C@@H](CCC#N)CN1CCC[C@@H]1c1ccc(Br)cc1 1663826204 BRAOSZYETWZLOW-XJKSGUPXSA-N 321.262 4.526 30 20 DJED Cc1c(C#N)cccc1NC(=O)N[C@@H](C)c1cccc(C2CC2)c1 1669814742 RPSDJXDSKGVHHB-AWEZNQCLSA-N 319.408 4.627 30 20 DJED Cc1cc(C#N)cc(NC(=O)N(C)[C@H]2CCC[C@@H]2C(C)(C)C)c1 1672780613 AHGJNSSYBCAOEQ-IRXDYDNUSA-N 313.445 4.545 30 20 DJED C=C(C)CSc1nnc(-c2ccoc2C)n1-c1ccccc1 49552735 IKNKLPOFZZEOIR-UHFFFAOYSA-N 311.410 4.504 30 20 DJED N#CC1(C(=O)Nc2ccc(-c3ccccc3)cc2)CCCCC1 72029687 BOXIFXBINKQPAA-UHFFFAOYSA-N 304.393 4.766 30 20 DJED COc1cccc(C(=O)/C=C/c2nc(-c3ccccc3)cs2)c1 78460539 WFHDIHNNLZWTLC-ZHACJKMWSA-N 321.401 4.715 30 20 DJED C#CCCCCC(=O)Nc1cccc(COc2ccccc2)c1C 119945064 RWPBPXYJVZNZNZ-UHFFFAOYSA-N 321.420 4.706 30 20 DJED Cc1ccc(-c2nc(C)c([C@H](C)N(C)CCCC#N)s2)cc1 134204203 IQJUYIXYINKATH-HNNXBMFYSA-N 313.470 4.724 30 20 DJED Cc1ccccc1-c1noc([C@H](C)Sc2cccc(C#N)c2)n1 158738849 YKGMZMSFWOSRNQ-ZDUSSCGKSA-N 321.405 4.770 30 20 DJED N#CCCCCSCc1ccc(F)c(Br)c1 161558862 SVOBDBMGNXBSHN-UHFFFAOYSA-N 302.212 4.515 30 20 DJED C[C@H](Nc1ccc(CC#N)cc1)c1ncc(-c2ccccc2)o1 173822582 FXMAUZHIZBPOEY-AWEZNQCLSA-N 303.365 4.581 30 20 DJED CCOc1cccc2cc([C@H](C)NCc3ccccc3C#N)oc12 180360659 YEWOWPFCNFLHMW-AWEZNQCLSA-N 320.392 4.554 30 20 DJED COc1ccc2ccccc2c1CNc1ccc(CC#N)cc1 237334000 ARVWWSQWACKKOP-UHFFFAOYSA-N 302.377 4.527 30 20 DJED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cnc2ccsc2c1 272286839 PIJQCDSEBNQJCE-ZDUSSCGKSA-N 319.433 4.508 30 20 DJED CC(C)(C)C[C@H]1CCN(c2ccc(C#N)c(Br)c2)C1 307767936 AIYLGGQLAZTWMW-GFCCVEGCSA-N 321.262 4.583 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCSc2ccccc21 341760165 JLIIJKKVTXOPTO-RBUKOAKNSA-N 320.461 4.762 30 20 DJED Cc1ccc([C@H]2CCCCN2C(=O)Nc2cccc(C#N)c2)cc1 437664933 FQMHRBVBZHYCOG-LJQANCHMSA-N 319.408 4.626 30 20 DJED CC(C)(C#N)CCCCN(Cc1c(F)cccc1F)C1CC1 444695522 FKWNHEPQPIVCCG-UHFFFAOYSA-N 306.400 4.649 30 20 DJED C=CC(C)(C)CNC(=O)Nc1ccccc1CCC(F)(F)F 454941414 IXAFQFKCJSRISK-UHFFFAOYSA-N 314.351 4.515 30 20 DJED CCc1cc(C)cc(CC)c1NC(=O)NCC(C)(C)CCC#N 483325400 ODAZGYPWQHMQBT-UHFFFAOYSA-N 315.461 4.571 30 20 DJED N#Cc1cccc(NCc2ccccc2Sc2ccccc2)n1 522936156 KYAYHLUUORQUCV-UHFFFAOYSA-N 317.417 4.717 30 20 DJED C=C[C@@H](CC(=O)N1CCc2cccc(F)c2[C@@H]1C)c1ccccc1 535397414 UKHXNPZDMLUVRD-HOTGVXAUSA-N 323.411 4.631 30 20 DJED CC(C)c1ccc(OC2CCN(CCC(C)(C)C#N)CC2)cc1 537363342 MDUNERIMBOHWOS-UHFFFAOYSA-N 314.473 4.593 30 20 DJED CC[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(F)cc1F 551573175 MWABJRDKDIPCDP-SFHVURJKSA-N 312.363 4.566 30 20 DJED C[C@@H]1Cc2ccc(F)cc2[C@H]1N[C@H]1CCCc2cc(C#N)ccc21 553002661 CHFSBRMQHIRWOE-UBWHGVKJSA-N 320.411 4.598 30 20 DJED CC(C)[C@H](NCc1cccc(C#N)c1F)c1ccccc1Cl 553007753 RIPIJGYRSJZYQC-SFHVURJKSA-N 316.807 4.838 30 20 DJED CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)NCCCC#N 565625399 IXWLDWWXBHCGMZ-HNNXBMFYSA-N 312.379 4.556 30 20 DJED N#Cc1ccc2c(c1)[C@@H](NCCc1cc3ccccc3s1)CC2 578530721 RAOQZMULYZDJLZ-IBGZPJMESA-N 318.445 4.593 30 20 DJED CC(C)COc1ccccc1NC(=O)CC1(C#N)CCCCC1 596857782 AMJOLRJOXVUAQN-UHFFFAOYSA-N 314.429 4.524 30 20 DJED Cc1ccc(-c2ccc(CN[C@@H](C)c3ccc(C#N)cc3)o2)cc1 603633322 ZKGBPXCBCZUMBP-INIZCTEOSA-N 316.404 4.978 30 20 DJED C=C(C)[C@H](NC(=O)c1c(C)oc(C)c1C)c1ccc(F)c(F)c1 671798083 KMUNIMQJKVMGPW-KRWDZBQOSA-N 319.351 4.530 30 20 DJED C[C@H](CC(C)(C)C#N)Nc1cc(Cl)cc(Br)c1 695884559 DAMCOADRVZPWMO-SECBINFHSA-N 315.642 4.843 30 20 DJED C#Cc1cccc(N(C(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)c1 728247854 JVNQJNCIDGCIOT-UHFFFAOYSA-N 321.464 4.626 30 20 DJED N#CCCCOC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F 730345282 HTEDOONKNCBEIB-UHFFFAOYSA-N 317.747 4.607 30 20 DJED Cc1cc(C(=O)/C=C\c2cnn(Cc3ccccc3)c2)c(C)s1 730579019 XTDZZQQINHMQOD-HJWRWDBZSA-N 322.433 4.506 30 20 DJED CCc1ccc(/C=C\C(=O)c2cc(OC)c(OC)cc2C)s1 731318855 LOAPQDBYHUMXSV-HJWRWDBZSA-N 316.422 4.532 30 20 DJED Cc1ccc(CC(=NNc2ncnc3sccc23)C(C)C)cc1 741454939 IKRUGWPZZMBIIY-UHFFFAOYSA-N 324.453 4.666 30 20 DJED CCCCCCCCCCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C 744657390 KVNFICQRKXBSMU-MOPGFXCFSA-N 322.537 4.602 30 20 DJED C#CCCCC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 758516733 WTWIJVNFGSSMQW-KRWDZBQOSA-N 305.421 4.677 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)s1 762448686 XPKJEFVKZIPSEX-HNQUOIGGSA-N 308.189 4.823 30 20 DJED N#Cc1cccc(CSC2=Nc3ccccc3CS2)c1F 769274249 IXQHQYBTCBOTSO-UHFFFAOYSA-N 314.410 4.865 30 20 DJED C=CCC[C@H](NC(=O)N1CCC2(CCCC2)C1)c1ccccc1 772031353 DUIRAUGLOVXXKK-SFHVURJKSA-N 312.457 4.670 30 20 DJED CCCCCCCCC(=O)N1CC=C(c2cccc(OC)c2)C1 779686703 ZMAQBSYYMSWRAX-UHFFFAOYSA-N 315.457 4.671 30 20 DJED CCCCCCc1ccc([C@H](C)NCc2ccc(C#N)cn2)cc1 783293453 HYEFWIKGCIEYIE-KRWDZBQOSA-N 321.468 4.927 30 20 DJED COC1CCC(=NNc2cc(C)c3cc(Cl)ccc3n2)CC1 783815652 DXWDKQPRGWJHEW-UHFFFAOYSA-N 317.820 4.554 30 20 DJED O=C(/C=C/C1=Cc2ccccc2OC1)c1csc(Cl)c1 787186959 UNMQNLYGMWOIEU-AATRIKPKSA-N 302.782 4.616 30 20 DJED C#Cc1cccc(N(CC)C(=O)c2ccccc2CSCC)c1 790902130 KEEVHGXREIZAPQ-UHFFFAOYSA-N 323.461 4.588 30 20 DJED O=C(/C=C\c1cscc1Br)c1ccccc1F 794690895 MPTYRGVJJPZLOD-WAYWQWQTSA-N 311.175 4.546 30 20 DJED Cc1cccnc1[C@H]1CCCC(=NNc2cc(Cl)ccn2)C1 799113074 HFXBQCGTECKDBW-ZDUSSCGKSA-N 314.820 4.564 30 20 DJED CC(C)c1c(Cl)ncnc1NN=C1CCC[C@@H]1CCCF 800817915 ZKBGHCNTLFIJJC-LLVKDONJSA-N 312.820 4.571 30 20 DJED C=CCCCCCCNC(=O)C1CCC(C(F)(F)F)CC1 805221819 VHZIRLKVUGKXNV-UHFFFAOYSA-N 305.384 4.608 30 20 DJED C[C@@H]1/C(=C\c2ccccc2OC(F)F)C(=O)c2ccccc21 809158794 DHYVFHTYONESKT-KBVGCWLLSA-N 300.304 4.671 30 20 DJED CC1(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)CCCCCC1 813212356 APIJNHNBRMFXPI-CYBMUJFWSA-N 324.346 4.637 30 20 DJED CSCc1cnc(/C=C2/CCc3ccc(C)cc3C2=O)s1 834430654 UYWJPIPBRDTKFR-JYRVWZFOSA-N 315.463 4.527 30 20 DJED CC(=NNc1ccc(F)cc1F)c1oc2ccccc2c1C 916251021 YAFFMUKKBAKKPM-UHFFFAOYSA-N 300.308 4.856 30 20 DJED C/C(=C/C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1CC1 917668818 HHDPCZMUWKNUKX-AFRXXKALSA-N 316.404 4.637 30 20 DJED Oc1cccc(C=Nc2ccc(Cl)c(C(F)(F)F)c2)c1O 920943176 QLTKBFRWFZHMGL-UHFFFAOYSA-N 315.678 4.521 30 20 DJED CCN(C(=O)[C@H]1CCCCC1(C)C)c1ccc(C#N)c(Cl)c1 1127278582 VIQKLQPKTNKEIW-OAHLLOKOSA-N 318.848 4.781 30 20 DJED Cc1cc(C#N)cc(NC(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)c1 1219113333 OKFJSTRRCJGFIV-IRXDYDNUSA-N 313.445 4.593 30 20 DJED N#Cc1ccnc(/C=C/c2cnc(-c3ccc(Cl)cc3)s2)c1 1324705853 DOLXVLVOBFUKGR-AATRIKPKSA-N 323.808 4.901 30 20 DJED CN(C(=O)CC1CCC(C(C)(C)C)CC1)c1cccc(C#N)c1 1355533462 WKBSKSFPQNALFN-UHFFFAOYSA-N 312.457 4.764 30 20 DJED C[C@H](OC(=O)[C@H](C)CCCc1ccccc1)c1ccc(C#N)cc1 1435361133 DCEJTQVRGBSNIA-SJORKVTESA-N 321.420 4.821 30 20 DJED CC(C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)C)C2 1436522738 GIYFOQANNOEBQJ-QWHCGFSZSA-N 318.486 4.611 30 20 DJED C[C@H](NCCc1cc(Cl)cc(Cl)c1)c1cccc(C#N)c1 1473786679 HSMAFGQTJKVVNB-LBPRGKRZSA-N 319.235 4.758 30 20 DJED CC[C@@](C)(C#N)C(=O)Nc1cccc(-c2ccc(F)c(F)c2)c1 1521562188 RTJAGBGEWDOCHF-SFHVURJKSA-N 314.335 4.510 30 20 DJED Cc1ccc(C)c([C@@H](C)OC(=O)C[C@@H](CC#N)c2ccccc2)c1 1536164807 PSUCJZJQDDRDCP-IEBWSBKVSA-N 321.420 4.995 30 20 DJED CC(C)C[C@@H](C)CC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1583324227 QDOKDWLMRVSQBM-CQSZACIVSA-N 316.445 4.746 30 20 DJED N#C[C@@H](C(=O)CSc1ccc2c(c1)CCCC2)c1ccccc1 1656654989 RSYZAPVFORVZRM-LJQANCHMSA-N 321.445 4.534 30 20 DJED CC[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cccc(F)c1C#N 1659074383 GHOXKDCZPURDCY-RXVVDRJESA-N 322.427 4.856 30 20 DJED N#CCc1cccc(N[C@H]2CC=C(c3ccc(F)cc3)CC2)c1 1664751924 PETCNXVRZMNCSI-IBGZPJMESA-N 306.384 4.940 30 20 DJED CCC(C)(C)C1CCC(=NNc2ccc(CC(=O)O)cc2)CC1 1776083365 AREBGQADAZLHEZ-UHFFFAOYSA-N 316.445 4.708 30 20 DJED Cc1csc([C@@H](C#N)C(=O)c2ccc(-c3ccccc3)cc2)n1 41520049 XYSFZTMAZSADLP-KRWDZBQOSA-N 318.401 4.609 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1c(C)cccc1CC 43156520 AWAUSKIOZKPTLH-UHFFFAOYSA-N 314.454 4.839 30 20 DJED CCOc1ccc(/C=C2\CCc3ccccc3C2=O)cc1OCC 60108380 MFHSHRLCTBVVEX-GHRIWEEISA-N 322.404 4.697 30 20 DJED CC(C)Oc1ccc(C(=O)/C=C/c2ccc3ncccc3c2)cc1 69124242 GGYSCULAYFXYGS-WUXMJOGZSA-N 317.388 4.918 30 20 DJED O=C(/C=C/c1csc(-c2cccs2)n1)c1ccc(F)cc1 78481744 SBMWOEDMIOPXBV-BQYQJAHWSA-N 315.394 4.907 30 20 DJED N#Cc1ccnc(SCc2csc(C3CCCCC3)n2)c1 125670195 AQBNJUKYSZSOLY-UHFFFAOYSA-N 315.467 4.750 30 20 DJED C[C@H](NCc1cc(C#N)ccc1F)c1cc(Cl)ccc1Cl 154728080 QZAWYZUNONMTFR-JTQLQIEISA-N 323.198 4.855 30 20 DJED CC(C)Sc1ccc(C(=O)/C=C/c2ccc(F)nc2)cc1 186409884 NGZBMHNBQPDEHP-YCRREMRBSA-N 301.386 4.617 30 20 DJED O=C1/C(=C\c2ccc3ncccc3c2)CSc2c(F)cccc21 213903652 GRDVYVRRCCFHBS-UVTDQMKNSA-N 321.376 4.746 30 20 DJED Clc1ccc(CON=Cc2cccs2)c2ncccc12 255887896 QDFQFRYWYAOBTH-UHFFFAOYSA-N 302.786 4.500 30 20 DJED Cc1ccc(-c2ncc(/C=C\c3ccc(C#N)cn3)s2)cc1 255918298 LCUYVNLOVLNIOS-HJWRWDBZSA-N 303.390 4.556 30 20 DJED CC(C)C1CCC(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 337978518 UQMVLLKCYLTDAM-KVZIAJEVSA-N 312.457 4.610 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCCc2ccccc21 341756619 GAAPRJNFTWVSJG-NHCUHLMSSA-N 302.421 4.603 30 20 DJED C=CCC1(C(=O)N2CCC[C@@H](CC(F)(F)F)C2)CCCCC1 421962569 MCZYDCHSXXKDTA-AWEZNQCLSA-N 317.395 4.704 30 20 DJED C[C@@H](SCc1nccn1-c1ccccc1)c1cccc(C#N)c1 434631177 OZOHQWAUHOYQIK-OAHLLOKOSA-N 319.433 4.738 30 20 DJED C=CCC[C@@H](NC(=O)Nc1sc(C)nc1C)c1ccccc1 435587033 AUNWETOWQGQSGA-OAHLLOKOSA-N 315.442 4.589 30 20 DJED CCSc1ccc([C@H](C)Nc2ccc(F)cc2C#N)cc1 462827993 SIUDDLRMOYYBKB-LBPRGKRZSA-N 300.402 4.982 30 20 DJED C[C@H](N[C@H]1c2ccccc2CCC[C@H]1C)c1cccc(C#N)c1 462842222 XMIFERHVXSUJOJ-VWKPWSFCSA-N 304.437 4.923 30 20 DJED CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 476372840 JHONGCFYEJPIKA-QAPCUYQASA-N 312.457 4.529 30 20 DJED C=CCCCCCN(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 488293368 FWHBCAUXTYLODD-RTBURBONSA-N 305.437 4.724 30 20 DJED C[C@H](CC1CCCC1)C(=O)Nc1sc2c(c1C#N)CCCC2 510187917 USTGHXSGKTYUGG-GFCCVEGCSA-N 316.470 4.653 30 20 DJED C=CCC(C)(C)C(=O)Nc1cc2sc(C)nc2cc1Cl 511367501 PVULCBVXFNCFOR-UHFFFAOYSA-N 308.834 4.799 30 20 DJED CC[C@](C)(C#N)C(=O)Nc1cccc(CSC2CCCC2)c1 513295093 DJPWZMDJCCYFEY-GOSISDBHSA-N 316.470 4.741 30 20 DJED CCC(CC)N(Cc1cccc(OCCCC#N)c1)C1CC1 536649594 JMCWPCHASCXQJX-UHFFFAOYSA-N 300.446 4.522 30 20 DJED COc1ccc(C#N)cc1CN[C@H](c1cccc(C)c1)C(C)(C)C 538235300 KUSGLGHLRWYVQM-HXUWFJFHSA-N 322.452 4.752 30 20 DJED COCCC[C@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 543960972 HXSQZZDCQSWKCZ-IRXDYDNUSA-N 322.452 4.691 30 20 DJED Cc1cc(CN[C@@H](C)c2ccc(C#N)c(F)c2)ccc1Cl 544602701 AVHSDMZXASAUEU-LBPRGKRZSA-N 302.780 4.510 30 20 DJED CSc1ccc(CNc2cccc(OCCCC#N)c2)s1 574727689 GLGDMUICPFOPSG-UHFFFAOYSA-N 318.467 4.765 30 20 DJED CC(C)(CCC#N)CNCc1cc(Cl)ccc1OCC1CC1 582443393 LUWJUJWVUJYBSM-UHFFFAOYSA-N 320.864 4.548 30 20 DJED N#CCCCCCC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 588639236 ZBIGWRZPZYVOIO-IBGZPJMESA-N 323.440 4.696 30 20 DJED CCc1c(C)sc(NC(=O)C[C@@H](C)c2ccccc2)c1C#N 609032961 HTOJEHNMAPCEDL-GFCCVEGCSA-N 312.438 4.623 30 20 DJED Cc1ccc(C)c2c1CCC[C@H]2N[C@H](C)c1cccc(C#N)c1 611387258 ITKLDZIMJZDTAZ-OXQOHEQNSA-N 304.437 4.903 30 20 DJED CC(C)c1ccc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)cc1 647371697 WUJACWQXMIJRPK-OAHLLOKOSA-N 310.422 4.634 30 20 DJED CCCCCCCCC(=O)NCc1cc(-c2ccccc2)on1 726776370 JLPQVNXJEDIYNY-UHFFFAOYSA-N 314.429 4.708 30 20 DJED Cc1cc(C(=O)/C=C\c2cc(C(F)(F)F)ccc2F)ccc1O 733207315 XJFNYHNORCFHBT-UQCOIBPSSA-N 324.273 4.755 30 20 DJED COc1ccc(/C=C/C(=O)c2oc3ccccc3c2C)cc1C#N 741848936 REZAYSGQECALEW-VQHVLOKHSA-N 317.344 4.518 30 20 DJED N#CCC1(COC(=O)c2sc3cc(F)ccc3c2Cl)CC1 744276450 ZZFXHHSIUZXMCO-UHFFFAOYSA-N 323.776 4.544 30 20 DJED FC(F)(F)c1ccccc1ON=C[C@H]1CCOc2ccccc21 754710919 ZIZYWSBYORKQTQ-GFCCVEGCSA-N 321.298 4.636 30 20 DJED C=C[C@@H](CC(=O)O[C@@H](C)c1cccc(C#N)c1)c1ccccc1 759307920 YXUQMVIJOGTMPO-RDJZCZTQSA-N 305.377 4.522 30 20 DJED C=CC[C@@H](N[C@@H](C)c1ccc(N(C)CC)cc1)c1ccncc1 766020951 RPTCWWAZYDDCKX-OXJNMPFZSA-N 309.457 4.506 30 20 DJED CC[C@H](Nc1ccc(OCC2CC2)cc1)c1ccc(C#N)cc1 774293808 QNOOLCGQZDNDLE-FQEVSTJZSA-N 306.409 4.910 30 20 DJED Cc1cc(C#N)ccc1CN[C@@H](C)c1ccccc1C(F)(F)F 776800263 WNAHEORIYIXZCJ-ZDUSSCGKSA-N 318.342 4.736 30 20 DJED C#CCCCCCC(=O)N(C)Cc1c(CC)oc2ccccc12 779756610 SWDWWECWUWOWNR-UHFFFAOYSA-N 311.425 4.537 30 20 DJED C#CCCCCCC(=O)N(CC)[C@H](C)c1cc2ccccc2o1 779864815 HDOUNFLBWXKPDB-MRXNPFEDSA-N 311.425 4.926 30 20 DJED Cc1cc(Cl)cc(C)c1CNc1ccccc1O[C@@H](C)C#N 780780769 FAVMPPUUVRVZHR-AWEZNQCLSA-N 314.816 4.860 30 20 DJED CCCCOc1ccc(C(=O)/C=C\c2ccnn2C(C)C)cc1 789157991 TWMOISXWMWZBPP-FLIBITNWSA-N 312.413 4.539 30 20 DJED C#CCCCCCC(=O)Nc1ccccc1-c1csc(C)n1 794125133 BXQOFTGWXJSMRC-UHFFFAOYSA-N 312.438 4.641 30 20 DJED C[C@H](OC(=O)c1ccc(C(C)(F)F)cc1)c1ccc(C#N)cc1 796267195 HIIWIZOHYINYJR-LBPRGKRZSA-N 315.319 4.588 30 20 DJED C=CCCCCCN(C)C(=O)c1cc(Cl)c(Cl)nc1C 808436650 NUJXFQDGNYVXPR-UHFFFAOYSA-N 315.244 4.515 30 20 DJED C#CC[C@H](NC1CCC(OC2CCCC2)CC1)c1ccccc1 824037493 PNJUXTRTZLKULO-MNLRITNHSA-N 311.469 4.611 30 20 DJED CSCc1cnc(/C=C2\C(=O)c3cccc(C)c3[C@@H]2C)s1 834434127 BERJZFQQDPUSOX-DKTFCQPKSA-N 315.463 4.698 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)Cc2cccc(C3CC3)c2)n1 842316717 XCSJKDGHUJWPKY-INIZCTEOSA-N 324.449 4.563 30 20 DJED C[C@H](CC(C)(C)C#N)OC(=O)c1csc(C2CCCCC2)n1 851205943 MVPHJRSWOKJVIX-GFCCVEGCSA-N 320.458 4.676 30 20 DJED O=C(/C=C\c1ccc(F)cc1F)c1ccc(Br)cc1 916134266 CXXGVCMKXCCBBO-YWEYNIOJSA-N 323.136 4.623 30 20 DJED C=C(Cl)CN1CCC[C@@H](Cc2csc3ccccc23)C1 1169005231 RMIHKSOJKIYUPZ-AWEZNQCLSA-N 305.874 4.908 30 20 DJED CC[C@H](CSc1ccccc1)Nc1snc(Cl)c1C#N 1185874807 OWNLQAWTLQXEOH-SNVBAGLBSA-N 323.874 4.651 30 20 DJED C=CCn1cnnc1S[C@H](Cc1ccccc1)c1ccccc1 1338055034 CFLNFECCGFECBX-GOSISDBHSA-N 321.449 4.540 30 20 DJED CC(C)(C)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1 1348393450 ISDNFMOOEIQLAJ-RBUKOAKNSA-N 318.420 4.598 30 20 DJED O=C(CCCC(F)(F)F)Nc1ccc(C(F)(F)F)c(F)c1 1438021269 KLZWLWCHNIFVTE-UHFFFAOYSA-N 317.204 4.516 30 20 DJED CCC(C)(C)C1CCC(CC(=O)N(CCC#N)CC2CC2)CC1 1464921205 UUOQGVKDIBYDCT-UHFFFAOYSA-N 318.505 4.771 30 20 DJED Cc1nc(NCc2ccc(C3CCCCC3)cc2)ccc1C#N 1472789784 DMENBICBLYXWIA-UHFFFAOYSA-N 305.425 4.922 30 20 DJED CCc1ccc([C@H](C)CC(=O)Nc2cc(C#N)ccc2C)cc1 1531958763 CNFSVBIUJSLWNK-OAHLLOKOSA-N 306.409 4.561 30 20 DJED CCC(C#N)(CC)C(=O)N1C[C@@H](C(C)(C)C)Cc2ccccc21 1535360923 VSRWHBFXRCWHHQ-INIZCTEOSA-N 312.457 4.568 30 20 DJED Cc1cc(S[C@@H](C)C(=O)c2ccc3c(c2)CCC3)ccc1C#N 1559429512 UPJONKHSMYQTJO-AWEZNQCLSA-N 321.445 4.719 30 20 DJED CCc1nc(C)c([C@H](C)N(C)CCC2(C#N)CCCCC2)s1 1615607800 PAISTIJZUPDSGF-HNNXBMFYSA-N 319.518 4.871 30 20 DJED C=C(Br)CNCc1cccc(-c2ccccc2C)c1 1620779716 MANMMZHSBWNFIE-UHFFFAOYSA-N 316.242 4.660 30 20 DJED CC[C@H](C)[C@H](C)Nc1cc(C)c(C#N)c2nc3ccccc3n12 1642292138 DPTDIPPNUQXYCC-JSGCOSHPSA-N 306.413 4.514 30 20 DJED Cc1cccc(Cl)c1CN1CC=C(c2ccc(C#N)cc2)CC1 1642577223 YWOANMQNIKPBKU-UHFFFAOYSA-N 322.839 4.809 30 20 DJED Cc1ccnc(N[C@@H](C)C2(c3ccccc3)CCCC2)c1C#N 1651759286 ZTDAWBIHDPLCNB-INIZCTEOSA-N 305.425 4.574 30 20 DJED Cc1cc(SCc2ncc(-c3ccccc3F)o2)ccc1C#N 1652058638 PABGNWNZVXDKBZ-UHFFFAOYSA-N 324.380 4.953 30 20 DJED Cc1cc(C#N)ccc1CN(CCc1ccccc1)CC(C)C 1653221460 RPTBZAAXRDLHHJ-UHFFFAOYSA-N 306.453 4.567 30 20 DJED N#Cc1ccc(Oc2nc3c(F)cc(Cl)cc3s2)cc1 1654927270 ZNNWUUHZTRRHJY-UHFFFAOYSA-N 304.733 4.753 30 20 DJED C[C@@H](Cc1ccc(Cl)cc1)N[C@H]1CCCc2cc(C#N)ccc21 1658370954 LUTYXRZOOCDVSQ-XOBRGWDASA-N 324.855 4.810 30 20 DJED C[C@H](CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C1CCCCC1 1658899262 LHYJSWPCUYCLQY-JRGCBEDISA-N 310.485 4.975 30 20 DJED Cc1c(CN2CCC[C@@](C)(C#N)C2)sc2c(Cl)cccc12 1659191171 VKISSHPTXIFUDG-KRWDZBQOSA-N 318.873 4.989 30 20 DJED CC(C)Cc1cccc(C(=O)/C=C/c2cc(C(=O)O)cs2)c1 1776341501 VGOJXIUFMDJUMH-VOTSOKGWSA-N 314.406 4.541 30 20 DJED C[C@@H](C#N)Oc1ccc(/C=C/c2ccc3ccccc3n2)cc1 57736980 VBVQQGKZUDHQBZ-WGPYJDKQSA-N 300.361 4.696 30 20 DJED C=CCNC(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1 62640657 LDHLOENVEQKMHZ-UHFFFAOYSA-N 318.829 4.799 30 20 DJED C#CCc1ccc2c(OC)cccc2c1OCc1ccccc1 98177872 ZLYNFBKMVZHVMI-UHFFFAOYSA-N 302.373 4.603 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc(COCC)cc1)c1ccccc1 137013121 JQNKFDWBYYLWCF-KRWDZBQOSA-N 309.409 4.522 30 20 DJED CCCCCCCC(=O)N1CCC(Nc2cccc(C)c2)CC1 151794841 SBNXWXTVUPPTLX-UHFFFAOYSA-N 316.489 4.758 30 20 DJED Cc1noc(C)c1/C=C/C(=O)c1ccc(SC(C)C)cc1 170852176 RYCCHZRDUHBWLJ-MDZDMXLPSA-N 301.411 4.688 30 20 DJED Cc1ccc2cccc(N[C@H](C)c3ccc(OCC#N)cc3)c2n1 171132623 PQNUVNXVVPVULA-OAHLLOKOSA-N 317.392 4.619 30 20 DJED CCSc1ccc([C@@H](C)NCc2ccc(F)c(C#N)c2)cc1 182116840 POCXFNGNEJCSTJ-CYBMUJFWSA-N 314.429 4.660 30 20 DJED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1cccc(OC(F)F)c1 192975259 LRTJUIXDWAXBMC-OLZOCXBDSA-N 316.351 4.571 30 20 DJED COc1cccc2c1CCC[C@H]2N[C@H](CCC#N)c1ccccc1 194935271 ZZVNIRAXLJDIMF-WOJBJXKFSA-N 320.436 4.707 30 20 DJED C[C@@H](Nc1ccc(C#N)cn1)c1ccc(Cl)c2ccccc12 302148230 AAUJPJSZIPMKQR-GFCCVEGCSA-N 307.784 4.933 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1ccc(Cl)cc1F 303458110 NBCOPCCCOAXZHV-UHFFFAOYSA-N 309.812 4.688 30 20 DJED C[C@H](N[C@H](C)c1ccc(C2CC2)cc1)c1ccc(C#N)cc1F 417362285 ZXTNJMMKCHFTDT-KGLIPLIRSA-N 308.400 4.987 30 20 DJED C=CCN(C)C(=O)Nc1ccc(-c2cccc(Cl)c2)cc1C 429384892 METCPDZDMPFPKQ-UHFFFAOYSA-N 314.816 4.965 30 20 DJED Cc1c(C(=O)NC2(C)CCCCC2)sc2ccc(C#N)cc12 429885592 MPHRSPCSRFTGKB-UHFFFAOYSA-N 312.438 4.534 30 20 DJED C=CCCCCNC(=O)Nc1ccccc1COC(C)(C)CC 473779280 YIZWJGHYNBNFGH-UHFFFAOYSA-N 318.461 4.870 30 20 DJED N#Cc1ccc(SCc2ccc(Cl)cc2C#N)c(F)c1 479110148 VDIRIGSBNSBPQM-UHFFFAOYSA-N 302.761 4.515 30 20 DJED Cc1nc2cc(Cl)c(NCc3ccc(C#N)s3)cc2s1 481826773 YCJHPQDRLVKFOB-UHFFFAOYSA-N 319.842 4.803 30 20 DJED C=CCC[C@H](C(=O)Nc1cc(F)ccc1F)c1ccccc1 487654468 RMVIXHRGPQYHOA-HNNXBMFYSA-N 301.336 4.653 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc(C)c(OC)c1C)c1ccccc1 488638390 DUJWYUVIUZFDIR-QGZVFWFLSA-N 309.409 4.610 30 20 DJED C=CC[C@H](C(=O)N[C@@H](C)c1cccc(F)c1F)c1ccccc1 489631348 SDQAMZHYUQVZHZ-BBRMVZONSA-N 315.363 4.502 30 20 DJED C=C(C)CN(CC)C(=O)CS[C@H](C)c1ccccc1Cl 516147287 YLURKGBJCGBSTE-CYBMUJFWSA-N 311.878 4.559 30 20 DJED CC(C)(C#N)CCCN[C@H](c1ccc(F)cc1)c1cccs1 532159714 ZZVRVLIZJOMRPV-QGZVFWFLSA-N 316.445 4.896 30 20 DJED C[C@H](Nc1cccc(-c2nccs2)c1)c1ccc(C#N)c(F)c1 539733208 JNFJOWYMOXCMNO-LBPRGKRZSA-N 323.396 4.994 30 20 DJED C=CCC[C@@H](NCc1cccc([N+](=O)[O-])c1C)c1ccccc1 540460883 ULOSQJSAOXDGSA-GOSISDBHSA-N 310.397 4.700 30 20 DJED CCCCCc1ccc(NC(=O)N2CCC(CC#N)CC2)cc1 541973558 WNHDFBXSOCEFAP-UHFFFAOYSA-N 313.445 4.577 30 20 DJED CC[C@@H](c1ccc(Br)cc1)N1CCC(CC#N)CC1 542882869 HXQVUEHVODFXOU-INIZCTEOSA-N 321.262 4.526 30 20 DJED C=CCC(CC=C)c1nc(Cc2c[nH]c3cccc(C)c23)no1 544584003 ZBSUCVCKZQEYEY-UHFFFAOYSA-N 307.397 4.686 30 20 DJED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[C@H]1C[C@@H]1C 563757280 XXSRTJNQKNSGGM-XJKSGUPXSA-N 320.392 4.644 30 20 DJED CC[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 567285408 WFCYUWXVTDCNPE-RTBURBONSA-N 310.828 4.940 30 20 DJED Cc1cccc(-c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)c1 577797523 DQVVCNXJFRGYTP-UHFFFAOYSA-N 303.365 4.513 30 20 DJED C[C@H](NC[C@@H](c1ccccc1)C1CC1)c1ccc(C#N)c(F)c1 590255491 PZKJTOJWMPDDHD-LIRRHRJNSA-N 308.400 4.542 30 20 DJED N#Cc1ccc(F)c(CN2CCC[C@@H]2c2ccccc2Cl)c1 603856889 BGOAVVIAQIMDJT-GOSISDBHSA-N 314.791 4.688 30 20 DJED C=CCCCCCN(C)C(=O)c1ccc(OC2CCCC2)cc1 606813710 AKTDHCDATZQNBJ-UHFFFAOYSA-N 315.457 4.826 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)C1CCCC1 610522691 KYXJCLWATRYTKC-UONOGXRCSA-N 316.470 4.846 30 20 DJED CC(C)CCn1ncc(NCc2ccccc2C#N)c1C(C)C 617000718 YHXWCJUETVTFPY-UHFFFAOYSA-N 310.445 4.536 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCSc2ccc(F)cc21 618802764 KVEHKHJEJBXPMK-ZWKOTPCHSA-N 324.424 4.511 30 20 DJED Cc1cc(Cl)cc(C)c1CN[C@H]1CCc2cc(C#N)ccc21 618831280 FWFFAEXCEXJTOD-IBGZPJMESA-N 310.828 4.606 30 20 DJED CCCCCC[C@@H](C)CC(=O)N(C)c1ccc(C#N)cc1F 729653912 PFSUMOVUAVXREY-CQSZACIVSA-N 304.409 4.657 30 20 DJED CO[C@H](C/N=C\c1cc(Cl)ccc1O)c1ccc(Cl)cc1 741758979 VGYRSMXQBSVLHJ-OSSOMXAKSA-N 324.207 4.506 30 20 DJED COc1ccccc1[C@H](C)SCc1ccc(OCC#N)cc1 742455705 SWKJEVQVOLZPTC-AWEZNQCLSA-N 313.422 4.592 30 20 DJED CC(/C=C/C(=O)c1cc([N+](=O)[O-])ccc1F)=C\c1ccccc1 752875119 OKVGVEOYWOCCON-CWOSXULZSA-N 311.312 4.576 30 20 DJED C=C(C)[C@H](CC(=O)Nc1ccc(-c2ccccc2)cc1C)OCC 755486289 IFWHZHZPVOWVDW-FQEVSTJZSA-N 323.436 4.972 30 20 DJED C=C(Cl)COc1ccc([C@@H](C)NCc2ccoc2C)cc1 765397856 UDMAFWNCZVYTIG-CYBMUJFWSA-N 305.805 4.570 30 20 DJED Cc1cncc(C(=O)/C=C\c2cc(Cl)ccc2OC(F)F)c1 767367201 MSRMFAYWWQRWDD-RQOWECAXSA-N 323.726 4.541 30 20 DJED CC(C)Sc1ccccc1C(=O)OCCCC(C)(C)C#N 781966264 JYHBZVYSLWFHMI-UHFFFAOYSA-N 305.443 4.674 30 20 DJED Cc1c(C(=O)/C=C/c2cc3ccccc3s2)cnn1C(C)C 787186893 PLPLJYIENQXCAY-CMDGGOBGSA-N 310.422 4.883 30 20 DJED O=C1/C(=C/c2ccc(C(F)F)cc2)Cc2c(F)cc(F)cc21 794946629 PQDBBTIIIOPORI-VZUCSPMQSA-N 306.258 4.725 30 20 DJED COC[C@H](/N=C/c1cc(Cl)ccc1O)c1cccc(Cl)c1 809144262 IYOVPMIFFFYKJY-OMPOGXFXSA-N 324.207 4.506 30 20 DJED C#Cc1ccc(CN[C@H](C)c2ccccc2C(F)(F)F)cc1 809609630 MJEXGAGFJJQCEW-CYBMUJFWSA-N 303.327 4.538 30 20 DJED C#C[C@H](NCc1ccc2nc(C)ccc2c1)c1ccc(Cl)cc1 811516734 UZVCWLNDGCIMHC-IBGZPJMESA-N 320.823 4.661 30 20 DJED FC(F)(F)c1ccc(CON=Cc2ccc3[nH]ccc3c2)cc1 811645691 WCGZBVQOIOBPCP-UHFFFAOYSA-N 318.298 4.737 30 20 DJED C=CCC(F)(F)C(=O)N(CCC)[C@H](C)c1cc2ccccc2o1 815096486 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C[C@@H](/N=C(/O)C1CCC(/N=C(/O)C2CC2)CC1)c1ccccc1 330023906 JHPNWZYDCQJYSV-NVPAJSRCSA-N 314.429 4.629 30 20 DJED N#Cc1cccc(SCC(=O)c2csc3ccccc23)c1 475973221 OTVRIYPRPNRDJR-UHFFFAOYSA-N 309.415 4.748 30 20 DJED Cc1ccc2ncc(C#N)c(N3CCC[C@H]3c3cccs3)c2c1 487937714 AJQKDUKGSWZRAT-KRWDZBQOSA-N 319.433 4.818 30 20 DJED CC#CCCCC(=O)Nc1cc(Cl)ccc1OC1CCCC1 494266634 ZPCSRKITZDUTHV-UHFFFAOYSA-N 319.832 4.794 30 20 DJED CO[C@@H](c1ccccc1)[C@@H](C)Nc1cccc(OCCCC#N)c1 494628289 BVTDHWGGCNHGNO-OXQOHEQNSA-N 324.424 4.557 30 20 DJED C[C@H](N[C@@H]1c2cccc(F)c2CC[C@H]1C)c1ccc(C#N)cc1 538393894 UQPPPPCJPLSLQF-CKNLXJGOSA-N 308.400 4.672 30 20 DJED CSc1ccc2c(c1)[C@H](NCC1CCC(C#N)CC1)CCC2 565716091 HIJKOFBRGWHFBD-JFIBYHEFSA-N 314.498 4.705 30 20 DJED CC(C)(C#N)CCSCc1cc(F)cc(Br)c1 572318802 YHMDZASIGZRHGK-UHFFFAOYSA-N 316.239 4.761 30 20 DJED C[C@@H](SCc1ccc(C#N)cn1)c1cccc(C(F)(F)F)c1 594909102 ANRFQHACBIFHBP-LLVKDONJSA-N 322.355 4.966 30 20 DJED C=CC[C@@H](C)NC(=O)N(CCC)[C@@H](C)c1cc2ccccc2o1 604900687 ANEDGZQYEKOWLO-CABCVRRESA-N 314.429 4.880 30 20 DJED C[C@@H](CC(=O)Nc1cc(C#N)ccc1OC(F)F)CC(C)(C)C 609066445 BZAJFIGZIBRBET-NSHDSACASA-N 324.371 4.561 30 20 DJED N#C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C1CCCCC1 609648603 TTWSXTLJURHVRA-AWEZNQCLSA-N 305.834 4.781 30 20 DJED CCCC[C@@H](CC)CC(=O)N[C@@H](C#N)c1ccccc1Cl 609766553 OVWHZAINESSWQX-CJNGLKHVSA-N 306.837 4.627 30 20 DJED Cc1cc(C#N)ccc1CSCc1coc(-c2ccccc2)n1 614394777 QWAUYGRHWRQINI-UHFFFAOYSA-N 320.417 4.955 30 20 DJED Cc1cccc(C(NCC2(CC#N)CC2)c2cccc(C)c2)c1 619535335 QXMINXFHABONHJ-UHFFFAOYSA-N 304.437 4.676 30 20 DJED C#Cc1cccc(NC(=S)Nc2ccc(C)cc2OCCC)c1 726469022 JZBUPTJJEQYBDU-UHFFFAOYSA-N 324.449 4.574 30 20 DJED CCCCC[C@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1 728007572 NVIGLZYALIEYHS-FQEVSTJZSA-N 320.436 4.804 30 20 DJED COc1ccccc1/C=C\C(=O)c1nc(-c2ccccc2)cs1 730084853 ISZHFWHIQQFWKZ-QXMHVHEDSA-N 321.401 4.715 30 20 DJED O=C(/C=C/c1cccc(F)c1)c1nc(-c2ccccc2)cs1 730086296 ZLFXBBSZSLPHLM-MDZDMXLPSA-N 309.365 4.845 30 20 DJED CCOc1cc(/C=C\C(=O)c2sccc2C)cc(Cl)c1O 733748584 CUMBPTDEDWNSDK-PLNGDYQASA-N 322.813 4.710 30 20 DJED Cc1ccccc1C(=NNc1cc(F)c(F)cc1F)C1CC1 734301589 GOZGJZUYGCPQQV-UHFFFAOYSA-N 304.315 4.639 30 20 DJED COc1cc(/C=C\C(=O)c2ccc(C)s2)ccc1SC 746341592 CUBFTHBCXRHBRD-ALCCZGGFSA-N 304.436 4.683 30 20 DJED COc1cc(C)ccc1C(=O)/C=C/c1coc(-c2ccccc2)n1 749892042 QYDPLXXHIURKKX-PKNBQFBNSA-N 319.360 4.555 30 20 DJED CCCC(CCC)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 753551478 XGAGGAMRILIAIO-CYBMUJFWSA-N 318.417 4.828 30 20 DJED CC(=NNc1ccnc2cc(Cl)ccc12)c1ccc(N)cc1C 758095202 VEBKCKMUDWLSBR-UHFFFAOYSA-N 324.815 4.615 30 20 DJED CC(C)C[C@H](C#N)NC(=O)c1c2ccccc2cc2ccccc12 768143700 MIADOYOQXWHAKJ-QGZVFWFLSA-N 316.404 4.661 30 20 DJED C=C(Cl)CNC(=O)c1cc(C)ccc1SC1CCCC1 776707013 POYTZCBDHUCJKK-UHFFFAOYSA-N 309.862 4.512 30 20 DJED Cc1ccccc1-c1cccc(C=NN[C@@H]2CCOC(C)(C)C2)c1 780249696 HDWFVUKGKCMMMH-LJQANCHMSA-N 322.452 4.543 30 20 DJED CC(C)(C)CC(=NNc1nc(C(F)(F)F)cs1)C1CC1 787157037 CXGFMAXXZVZDBP-UHFFFAOYSA-N 305.369 4.776 30 20 DJED N#Cc1sc(NCc2ccc(-c3ccccc3)o2)nc1Cl 804360218 GWXVICJLENTRSC-UHFFFAOYSA-N 315.785 4.540 30 20 DJED COc1ccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)c(Cl)c1 818333409 VUFDLTLIQOEVQH-STQMWFEESA-N 314.816 4.632 30 20 DJED C(=Nn1cnc2ccccc21)c1cc(-c2ccccc2)cs1 917541088 MYVPVYJKKUFSFR-UHFFFAOYSA-N 303.390 4.647 30 20 DJED CCCCc1nc(CON=Cc2ccc(CC)cc2)cs1 920398746 AICDJHXROTURKB-UHFFFAOYSA-N 302.443 4.599 30 20 DJED N#Cc1c(F)cccc1CN[C@@H](C1CCCCC1)C1CCC1 1206410045 NCZTUZKVMPIBEV-IBGZPJMESA-N 300.421 4.536 30 20 DJED CC[C@H](C(=O)N(CCC#N)CC(C)(C)C)C1CCC(C)CC1 1264998534 QZZQEJBRERXKAL-JCYILVPMSA-N 306.494 4.627 30 20 DJED N#CC1(CC(=O)Nc2ccnc(-c3ccccc3)c2)CCCCC1 1266900329 XJFSNZCLVZDMMG-UHFFFAOYSA-N 319.408 4.551 30 20 DJED C[C@@H](Nc1cccc(C#N)n1)C(c1ccccc1)c1ccccc1 1306918497 PORMOLRADOSMFE-MRXNPFEDSA-N 313.404 4.586 30 20 DJED N#Cc1ccccc1/C=C/c1nnc(-c2cccc3ccccc23)o1 1324114527 YNOAWWDZQFOUSX-OUKQBFOZSA-N 323.355 4.932 30 20 DJED C[C@@H](OC(=O)c1ccc2c(c1)oc1ccccc12)C(C)(C)C#N 1344046137 ZOVDIANVLKYNKN-GFCCVEGCSA-N 307.349 4.681 30 20 DJED CC[C@@H]1CCCC[C@H]1C(=O)N(CC)c1ccc(C#N)c(Cl)c1 1458041595 ZWDCNJVLOKFZMT-CZUORRHYSA-N 318.848 4.781 30 20 DJED CCN(C(=O)c1ccc(C#N)cc1)c1cccc(Cl)c1Cl 1459163104 QOFVPYUTYZRVPL-UHFFFAOYSA-N 319.191 4.532 30 20 DJED C/C(=C/c1ccccc1)CN[C@@H]1CCCc2cc(C#N)ccc21 1474185648 VVUSITLVCWUGRO-MJGOQDMVSA-N 302.421 4.629 30 20 DJED C[C@H]1C[C@@H](C)C[C@H](C(=O)Nc2cc(C(C)(C)C)sc2C#N)C1 1521111049 RIXFTHSRRQBHHQ-ITGUQSILSA-N 318.486 4.928 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C/C=C/c1ccc(F)c(F)c1 1560897653 IJRJDIIOCOZPEF-YVZNUBBCSA-N 312.363 4.543 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2ccccc2SC(C)C)c1 1597275982 SNYJPGAAWJBOPX-UHFFFAOYSA-N 310.422 4.620 30 20 DJED CN(CCC(C)(C)C)c1c(C#N)cnc2c(Cl)cccc12 1612533233 VMHMYGKAPSJXNW-UHFFFAOYSA-N 301.821 4.632 30 20 DJED CCCC[C@@H](CC)COc1nc2c(cc1C#N)CCCCC2 1614860850 HMEJFLPZYMHQTI-OAHLLOKOSA-N 300.446 4.817 30 20 DJED CCSCc1ccc(Nc2ccc(Cl)c(C#N)n2)cc1 1639924239 KNQGCSPCDARDAW-UHFFFAOYSA-N 303.818 4.603 30 20 DJED Cc1ccc(-n2c(SCC3(C#N)CC3)nc3ccccc32)cc1 1640720734 LTFOYEQAYYABBT-UHFFFAOYSA-N 319.433 4.730 30 20 DJED N#Cc1cc(OCc2ccc(Cl)cc2)ccc1Br 1641461553 HFMFLLVERPZULS-UHFFFAOYSA-N 322.589 4.553 30 20 DJED Cc1cc(C#N)cc(NCc2c(Cl)ccc3cccnc23)c1 1651210327 HZCWXIFSUHMIES-UHFFFAOYSA-N 307.784 4.680 30 20 DJED CC(C)(C)[C@H]1CCCC[C@@H]1CNc1c(C#N)nnc2ccccc12 1651459561 IWTYZVORGKGLLP-ZBFHGGJFSA-N 322.456 4.766 30 20 DJED CC(C)(C)c1cnc(CSc2ccc(Cl)cc2C#N)o1 1651842342 ICXMYGKWZGAMCJ-UHFFFAOYSA-N 306.818 4.789 30 20 DJED CC(C)(C)c1cc(Oc2ncncc2C#N)cc(C(C)(C)C)c1 1654882782 VDCJXLKQKQVLCY-UHFFFAOYSA-N 309.413 4.736 30 20 DJED Cc1cc(N[C@H](C)c2cccc(C#N)c2)ccc1Br 37198887 QCDMYNZMQOCQHT-GFCCVEGCSA-N 315.214 4.802 30 20 DJED N#CCc1cccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c1 42195884 URPHOYCZJFCFAQ-UHFFFAOYSA-N 312.372 4.672 30 20 DJED C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc(F)c(F)c1 79724186 KVKYQVCVUXHNBO-CYBMUJFWSA-N 316.351 4.820 30 20 DJED C[C@@H](C#N)Oc1ccccc1N[C@H]1CCC[C@H](C(F)(F)F)C1 129643214 MOMFRPDTUAASJJ-AVGNSLFASA-N 312.335 4.510 30 20 DJED CC(C)COc1ccc(CNc2ccccc2O[C@@H](C)C#N)cc1 181123019 IDFOITDTAUJKAL-INIZCTEOSA-N 324.424 4.624 30 20 DJED COc1ccc(C)cc1[C@@H](C)NCc1ccccc1C(C)(C)C#N 271611486 BOPIZCMTJLVEAG-MRXNPFEDSA-N 322.452 4.656 30 20 DJED C=CCC[C@H](NC(=O)c1ccc(F)c(F)c1F)c1ccccc1 435269201 QNODUGIRLAKAOZ-HNNXBMFYSA-N 319.326 4.541 30 20 DJED C=CC[C@@H](CC)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 467409884 BHBFTCWYMCNCCY-GXTWGEPZSA-N 301.352 4.633 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1ccccc1SC 482910541 IPGJOYFUUDGFKG-UHFFFAOYSA-N 303.471 4.617 30 20 DJED CC(C)CC[C@@H](NC(=O)CC(C)(C)C#N)c1ccc(Cl)cc1 484686447 BKYDHTREBQWVKD-MRXNPFEDSA-N 320.864 4.873 30 20 DJED N#Cc1ccc(SCc2cccc(F)c2C#N)c(Cl)c1 488251659 MNJNGEBNDWFBIZ-UHFFFAOYSA-N 302.761 4.515 30 20 DJED C=CC[C@@H](C(=O)Nc1cccc(Cl)c1OC)c1ccccc1 488684361 BSOHJMWXIULEPV-CQSZACIVSA-N 315.800 4.647 30 20 DJED C[C@H]1CCC[C@@H](CC(=O)Nc2sc3c(c2C#N)CCCC3)C1 504354988 GIPOMHXOOBSLAO-QWHCGFSZSA-N 316.470 4.653 30 20 DJED C=C[C@@H](CC(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 536213588 KNCJWFGGHPHTLO-AWEZNQCLSA-N 310.422 4.535 30 20 DJED C=CC[C@@H](C)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 540170697 TVKMRKGXZZVOBD-NEPJUHHUSA-N 304.434 4.873 30 20 DJED CC(C)(C)[C@H](NCc1cccc(C#N)c1F)c1cccc(F)c1 540428351 RVDNTHILOQGVKN-GOSISDBHSA-N 314.379 4.713 30 20 DJED C=CC[C@@H](CC)NC(=O)N[C@@H](CC)c1ccc(Cl)s1 541091521 VGHUPKJEFDEWLF-MNOVXSKESA-N 300.855 4.507 30 20 DJED Cc1cccc([C@@H](c2noc(-c3cc(C#N)oc3C)n2)C(C)C)c1 554850943 JZDXGCPRKHTNBG-KRWDZBQOSA-N 321.380 4.606 30 20 DJED CC[C@@H](C#N)C(=O)Nc1ccc(SC2CCCCC2)cc1C 593442559 UMRQOJQXFDPJSX-AWEZNQCLSA-N 316.470 4.908 30 20 DJED C[C@@H](CC1(C#N)CCOCC1)Nc1cc(Cl)cc(Cl)c1 602607550 YJPZDSBFJZAHNZ-NSHDSACASA-N 313.228 4.504 30 20 DJED C=CCCCCCN(C)Cc1ncc(-c2ccccc2F)o1 607735343 IOFSFMOOQRNZSY-UHFFFAOYSA-N 302.393 4.659 30 20 DJED C[C@H]1CCC[C@@H](C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 610167938 DVHDUQHMZMQZMV-YNEHKIRRSA-N 316.470 4.509 30 20 DJED N#CCC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 611394330 CQSJSFZQJZLKJV-RTWAWAEBSA-N 315.420 4.570 30 20 DJED C=C[C@H](CC(=O)N1CCc2ccccc2[C@H]1CC)c1ccccc1 677552912 SGFQMOFJCWLFNB-DYESRHJHSA-N 319.448 4.882 30 20 DJED COc1cccc2cc(/C=C3/Cc4c(C)cccc4C3=O)oc12 729152046 ZZMPIBVJBZQRSZ-UVTDQMKNSA-N 304.345 4.572 30 20 DJED COCCOc1ccc(/C=C/C(=O)c2cc(C)c(C)cc2C)cc1 730464041 DMBQYMIRIXYETD-JXMROGBWSA-N 324.420 4.533 30 20 DJED O=C1/C(=C/c2cnc(-c3ccccc3)s2)Cc2cc(F)ccc21 734305519 WQGCDSNPQXVNGW-GXDHUFHOSA-N 321.376 4.772 30 20 DJED Fc1ccc([C@H]2CCCC2=NNc2ncccc2Cl)cc1 741162582 GXKLVBSDHRLRNY-CYBMUJFWSA-N 303.768 4.610 30 20 DJED Clc1ccc(CNN=Cc2ccccc2C2CC2)c(Cl)c1 751131166 RZENXEQMZZLFBL-UHFFFAOYSA-N 319.235 4.995 30 20 DJED O=C1/C(=C/c2csc(Cl)c2Cl)Cc2cc(O)ccc21 761487562 VDGZPONZUXGHHF-XBXARRHUSA-N 311.189 4.583 30 20 DJED CC(C)[C@@H]1/C(=C/c2nc(Cl)cs2)C(=O)c2ccccc21 766506765 QXWFXNLAIFQJMU-XCHKQJEOSA-N 303.814 4.816 30 20 DJED C[C@@H](NCCCCCc1ccccc1)c1ccc(OCC#N)cc1 776156415 MIRJAKAMFXBIDC-GOSISDBHSA-N 322.452 4.653 30 20 DJED C#CCC1(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CCCCC1 788431448 JEXZEHNJSZUPQX-UHFFFAOYSA-N 322.408 4.618 30 20 DJED C/C=C(/CC)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 789661898 ICZSHOMJVCFXMD-KDERZUBXSA-N 318.420 4.759 30 20 DJED CC(=NNc1cc(Cl)cc(Cl)c1)c1ccc(N)cc1C 790201356 CWBGDQJLQDMNCW-UHFFFAOYSA-N 308.212 4.720 30 20 DJED O=C(/C=C/c1ccc(C(F)F)cc1)c1cnn(-c2ccccc2)c1 794934406 KBQGYTUXWUMNQW-DHZHZOJOSA-N 324.330 4.706 30 20 DJED CC(C)(C)c1ccc(NC(=O)/C=C\c2ccccc2C#N)cc1 799438052 HVRUUXYRCDLJNQ-JYRVWZFOSA-N 304.393 4.508 30 20 DJED N#C[C@@H]1CC[C@H](Nc2ccc(OCc3ccccc3F)cc2)C1 799734878 QMWCVLKHZIKSAR-PBHICJAKSA-N 310.372 4.509 30 20 DJED N#CCCCCCC(=O)OCCCc1cccc2ccccc12 805696312 DOTCOCGVMQRALZ-UHFFFAOYSA-N 309.409 4.790 30 20 DJED CC1=C(C)C[C@H](C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)CC1 842786078 YUEPFWAXBOHWKF-KGLIPLIRSA-N 316.470 4.753 30 20 DJED CC(=NNc1nc2ccccc2[nH]1)c1ccc2ccccc2c1 915915689 XUCWRBIMCQBECE-UHFFFAOYSA-N 300.365 4.552 30 20 DJED C=CCN(Cc1ccc(N2CCCC2)cc1)Cc1cccs1 1116439624 KIYZZAWWXFVISQ-UHFFFAOYSA-N 312.482 4.537 30 20 DJED Cc1ccc([C@H](NCc2cccc(OCC#N)c2)C2CCC2)cc1 1116674657 DLBVGUBWHVSVHJ-OAQYLSRUSA-N 320.436 4.528 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)Cc1coc2ccccc12 1308610709 IGYVAAKPPCZMDR-UHFFFAOYSA-N 318.420 4.963 30 20 DJED C[C@@H](C#N)Oc1ccccc1N[C@H](C)Cc1ccccc1Cl 1320288444 VTFIBQYWEDUPOB-KGLIPLIRSA-N 314.816 4.674 30 20 DJED COc1ccc(NC(=O)CC2(C#N)CCCCC2)c2ccccc12 1438211985 LGYQUEHNEYKGDY-UHFFFAOYSA-N 322.408 4.651 30 20 DJED CC(C)C[C@@H]1CCC[C@@H](Nc2ccc(F)cc2OCC#N)C1 1462071654 MSNDZEWNGTVZBQ-GOEBONIOSA-N 304.409 4.745 30 20 DJED CC[C@H](C)[C@H](CNc1ccc(Oc2ccccc2)c(C#N)c1)OC 1474464313 MJZSLAFEUUWXKD-YWZLYKJASA-N 324.424 4.824 30 20 DJED CCCC[C@@H](C)N(CCCC)C(=O)c1ccc(C)c(C#N)c1 1526814807 VKKYBPSZMFNOQH-MRXNPFEDSA-N 300.446 4.688 30 20 DJED CC[C@@H](C(=O)N[C@@H]1CCc2cc(C#N)ccc21)C1CCC(C)CC1 1531332914 LSMJQZXQTCVAGD-AVMBEGOGSA-N 324.468 4.514 30 20 DJED Cc1ccc(-c2ccccc2NC(=O)c2cc(C#N)cs2)s1 1531872771 CPGYNMSGGFNBPZ-UHFFFAOYSA-N 324.430 4.909 30 20 DJED CCCC[C@H](CC)CCCN(C)C(=O)c1cccc(CC#N)c1 1533373225 KDGBCQNXJZCUEE-KRWDZBQOSA-N 314.473 4.821 30 20 DJED Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2ccc(C#N)cc2C)o1 1559569700 FEXZCELHKFEEOR-KUHUBIRLSA-N 308.425 4.741 30 20 DJED Cc1cccc(CN(Cc2ccc(CC#N)cc2)CC(C)C)c1 1615286064 YANZNMLMNIODEV-UHFFFAOYSA-N 306.453 4.719 30 20 DJED C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1CCC1(C#N)CCCCC1 1616403563 SLTJTMCTOGAKHL-HZPDHXFCSA-N 314.448 4.997 30 20 DJED CSC1(CNc2nc(C(C)(C)C)ccc2C#N)CCCCC1 1640418075 FIFVKSBBCYNRAW-UHFFFAOYSA-N 317.502 4.729 30 20 DJED CC(C)(C)[C@@H](Nc1ccc(Cl)c(C#N)n1)c1cccc(F)c1 1650873332 KGUFOPCKKASGRQ-INIZCTEOSA-N 317.795 4.945 30 20 DJED Cc1c(Cl)cnc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1C#N 1651327016 PBSUWONJBOXKKJ-MGPQQGTHSA-N 303.837 4.686 30 20 DJED CC1(C)CCc2ccccc2[C@@H](NCc2ccc(C#N)cc2F)C1 1662289589 ZYGNMKBZHHDHDV-FQEVSTJZSA-N 322.427 4.891 30 20 DJED N#Cc1ccc(CSc2nc(-c3ccccc3)cs2)cc1 5971940 NELRYTQVBWEMMO-UHFFFAOYSA-N 308.431 4.974 30 20 DJED N#C[C@@H](C(=O)C1CCCCC1)c1nc2cc(Cl)ccc2s1 76606509 IVEPOXWWXSWWFW-LBPRGKRZSA-N 318.829 4.706 30 20 DJED CC(C)(C)[C@H](NCc1cc(C#N)cs1)c1ccc(F)cc1 93492571 QQCUNLQWKRKECJ-MRXNPFEDSA-N 302.418 4.636 30 20 DJED CCn1nc(C)c(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)c1C 96316164 TZJKRADPWAZUOU-VURMDHGXSA-N 323.223 4.723 30 20 DJED CCN(C(=O)Nc1cc(C)cc(C)c1)[C@H](C)c1ccc(C#N)cc1 118790752 JOGLPYQSTOIOMP-MRXNPFEDSA-N 321.424 4.790 30 20 DJED Cc1ccsc1-c1nnc(SCCCC(C)(C)C#N)o1 177296988 UZMANDDMMOZLAO-UHFFFAOYSA-N 307.444 4.529 30 20 DJED C[C@@H](C#N)Oc1ccccc1NCc1ccccc1C(F)(F)F 182589809 WRXFFWKJTFWAKK-LBPRGKRZSA-N 320.314 4.608 30 20 DJED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1cccc(F)c1F 183311965 ARNHYKMKVLJDQG-CXAGYDPISA-N 300.352 4.660 30 20 DJED C=CCN(Cc1cccs1)C(=O)[C@H](CCC)c1ccccc1 216650631 YPSYPZGFIXICID-GOSISDBHSA-N 313.466 4.847 30 20 DJED N#C[C@@H]1CCC[C@@H](N[C@@H](c2ccccc2)c2cccc(F)c2)C1 249038856 UEPKTYMUKMWSKN-YSGRDPCXSA-N 308.400 4.587 30 20 DJED C[C@@H]1CC[C@H](Nc2ccc(C#N)c(Br)c2)[C@H](C)C1 300294544 JNPUEXWCNAVJMV-HFAKWTLXSA-N 307.235 4.557 30 20 DJED CCCCCCCCCCCC(=O)N1CCC[C@](C)(O)CC1 318012164 SAAFEINEMZWBAR-IBGZPJMESA-N 311.510 4.671 30 20 DJED C[C@@H](Nc1ccc(OCC#N)cc1)c1cccc(C(F)(F)F)c1 319899671 YJJUXYOIXYUIKD-GFCCVEGCSA-N 320.314 4.781 30 20 DJED C[C@@H]1CCCC[C@H]1C/N=C(/O)c1ccc2c(c1)N=C(O)C2(C)C 328860906 VJBNJXIXCFJYAP-OCCSQVGLSA-N 314.429 4.697 30 20 DJED Cc1noc(C)c1N=C(O)N1CCC[C@@H]1CCC1CCCCC1 330240169 VVYFIMLGWRWYLS-MRXNPFEDSA-N 319.449 4.662 30 20 DJED Cc1ccc(C#N)c(Nc2ccc3nc(C(F)F)sc3c2)n1 343908480 AVWUPCYHWPSBJT-UHFFFAOYSA-N 316.336 4.553 30 20 DJED N#Cc1ccc(NCc2ccccc2OCc2ccccc2)cc1 384016895 JKOGFNYEMRMMCS-UHFFFAOYSA-N 314.388 4.749 30 20 DJED C=CCC[C@@H](NC(=O)N(C)C(C1CC1)C1CC1)c1ccccc1 435118072 WTYCXOAKSSZIMA-GOSISDBHSA-N 312.457 4.524 30 20 DJED Cc1ccc(OCc2nc(-c3cccc(C#N)c3)cs2)cc1 439146400 HSUHPEUOUOPPKM-UHFFFAOYSA-N 306.390 4.569 30 20 DJED N#C[C@@H]1CC[C@H](Nc2cccc(COc3cccc(F)c3)c2)C1 442861633 UPXGDJIQFIRHHK-KDOFPFPSSA-N 310.372 4.509 30 20 DJED Cc1c(C#N)cccc1NC(=O)Nc1cccc2ccsc12 443913267 MGBOFGDDPQXRPU-UHFFFAOYSA-N 307.378 4.725 30 20 DJED CCC(=O)Nc1ccc(C)c(N[C@H](CC)c2ccc(C#N)cc2)c1 447582879 ACSQHODZJWLXOK-GOSISDBHSA-N 321.424 4.778 30 20 DJED N#C[C@@H]1CCC[C@H](Nc2ccccc2COCc2ccccc2)C1 447583614 BULPYDGRURDDQF-QUCCMNQESA-N 320.436 4.898 30 20 DJED CC[C@H](Nc1cc(OC)ccc1OC(C)C)c1ccc(C#N)cc1 447597159 FLLPNFCBDZIPQT-SFHVURJKSA-N 324.424 4.917 30 20 DJED N#Cc1ccc(CSCCCC2CCOCC2)c(Cl)c1 447924239 GFFLAYPAEQQFMY-UHFFFAOYSA-N 309.862 4.652 30 20 DJED C=C[C@](C)(CC)C(=O)N1CC=C(c2ccccc2Cl)CC1 467984473 NYNOIHLLLFEBLA-GOSISDBHSA-N 303.833 4.558 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)[C@@H](CC)c1ccccc1 468355982 JXZJSUDEKCLZMV-KRWDZBQOSA-N 321.424 4.512 30 20 DJED CCCOc1cccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1 474773032 GGISRQXTQPWLMF-UHFFFAOYSA-N 322.408 4.529 30 20 DJED Cc1nc2cc(Cl)c(NCc3cc(C#N)cs3)cc2s1 481823327 JHUTVBWDTJHCSD-UHFFFAOYSA-N 319.842 4.803 30 20 DJED Cc1ccccc1N(C(=O)c1ccc(C(C)(C)C#N)cc1)C(C)C 483478772 USZMABVRWHWOPG-UHFFFAOYSA-N 320.436 4.851 30 20 DJED C=CCN(C(=O)CCc1cc2ccccc2o1)c1ccccc1 484225547 YFANSFOBMDSTMW-UHFFFAOYSA-N 305.377 4.585 30 20 DJED CN(c1ccccc1NCc1ccc(C#N)cc1)C1CCCC1 531883678 MMXSEMQYHILSPT-UHFFFAOYSA-N 305.425 4.549 30 20 DJED C=C[C@H](CC(=O)N1CCCSc2ccccc21)c1ccccc1 534745186 LNDMZMOMAIZYDU-MRXNPFEDSA-N 323.461 4.875 30 20 DJED C[C@H](N[C@H]1CC(C)(C)c2ccccc21)c1ccc(C#N)c(F)c1 538509092 YHOSNQUKOBGJFA-DJJJIMSYSA-N 308.400 4.771 30 20 DJED CC(C)(c1ccccc1)c1ccc(OC[C@H](C#N)CCC#N)cc1 559284304 IAXRTMOZYRCASX-KRWDZBQOSA-N 318.420 4.835 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N1CCC(C)(CC(C)C)CC1 569851846 VWUNUTYANHCJLQ-UHFFFAOYSA-N 313.445 4.547 30 20 DJED Cc1cc(NC(=O)c2ccc(Cl)c(C#N)c2)c(Cl)cc1F 576737596 OJPLHBUGCSJQJM-UHFFFAOYSA-N 323.154 4.565 30 20 DJED CCCCn1c(S[C@H](C#N)Cc2ccccc2)nc(C)c1C 600816381 CLXWTKSASAHGNH-KRWDZBQOSA-N 313.470 4.527 30 20 DJED CCCCOc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 610344940 NSQWPKOENDXLDH-MRXNPFEDSA-N 308.425 4.588 30 20 DJED C=CC[C@H]1CCCN(C(=O)Nc2ccc(OC(C)C)cc2C)C1 665793596 KCVMDJYEDABVJG-INIZCTEOSA-N 316.445 4.602 30 20 DJED Oc1c(Cl)cc(Cl)cc1C=Nc1cc(F)c(F)cc1F 729150137 TXGDJFUZEABWOO-UHFFFAOYSA-N 320.097 4.867 30 20 DJED CCn1cc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)cn1 732528959 HUJIZZINAPECGN-MDWZMJQESA-N 308.425 4.847 30 20 DJED COc1ccc(Cl)cc1C(CC(C)C)=NNc1ccccn1 735971138 YGMHLDBUIYWUNY-UHFFFAOYSA-N 317.820 4.606 30 20 DJED Cc1ccc(N(CCC#N)C(=O)CC[C@H](C)c2ccccc2)cc1 750262848 PRIJFSUJANSYFD-SFHVURJKSA-N 320.436 4.826 30 20 DJED Cc1ccc(-c2ccc(C(=O)OC3(C#N)CCC3)c(F)c2)cc1C 762100715 TVSAMYSCDIXYJK-UHFFFAOYSA-N 323.367 4.713 30 20 DJED N#C[C@H]1CCC[C@@H](Nc2ccc(OCc3ccccc3F)cc2)C1 765941255 JRGTVEBJRTUQPU-MAUKXSAKSA-N 324.399 4.899 30 20 DJED C=CC[C@@H](N[C@@H](C)c1ccc(SC)c(F)c1)c1ccncc1 766017393 BBFRCLVKAMBWCA-SUMWQHHRSA-N 316.445 4.911 30 20 DJED C[C@H](NN=Cc1ccc(Sc2ccccn2)o1)c1ccccc1 766450430 MYYKBGRGUHNMIJ-AWEZNQCLSA-N 323.421 4.511 30 20 DJED CC[C@H](c1ccccc1)N(CC)Cc1ccc(O[C@H](C)C#N)cc1 768514905 MFGJVVUFOKTOBG-DYESRHJHSA-N 322.452 4.951 30 20 DJED Cc1ccc(N[C@@H](C)c2ccc(C#N)c(F)c2)cc1OC(F)F 777044194 GUTWVIPGQJEURB-NSHDSACASA-N 320.314 4.780 30 20 DJED C=CCC[C@H](C(=O)OCc1cnc(Cl)s1)c1ccccc1 778554276 LNTGRSAUWTUYDY-AWEZNQCLSA-N 321.829 4.590 30 20 DJED O=C1/C(=C/c2ccc3cnccc3c2)CCc2cc(F)ccc21 782340917 HBRYGIVJLAJYHL-MHWRWJLKSA-N 303.336 4.586 30 20 DJED FC(F)(F)[C@H]1CCCC(=NNc2ccc3ccccc3n2)C1 783508289 VKMABBWYNRIZSN-LBPRGKRZSA-N 307.319 4.755 30 20 DJED Clc1cccc(NN=Cc2cscc2Br)c1 794862268 OALYSCYJBUIADD-UHFFFAOYSA-N 315.623 4.610 30 20 DJED Cc1ccc(C(=O)Nc2ccccc2-c2cccs2)cc1C#N 799299384 GMJRAPXVLLSJFH-UHFFFAOYSA-N 318.401 4.848 30 20 DJED Cc1c(C=NOCc2cccnc2)sc2c(Cl)cccc12 814884431 XNEGFBZFMGJLGR-UHFFFAOYSA-N 316.813 4.809 30 20 DJED C[C@@H](CCCC(F)(F)F)OC(=O)CC1(C#N)CCCCC1 850961477 FJFCPRXWLWVAJA-LBPRGKRZSA-N 305.340 4.515 30 20 DJED C[C@@H](SCC1(CC#N)CC1)[C@@H](C)SCC1(CC#N)CC1 1118414228 PLEYKFSPLDDISQ-ZIAGYGMSSA-N 308.516 4.618 30 20 DJED CCc1cc(C#N)c(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)s1 1125280539 VKMQBMSVGVSYBZ-HDJSIYSDSA-N 316.470 4.727 30 20 DJED COc1ccc(C)cc1CSc1nc(C)c(C#N)cc1Cl 1162799892 OKHLFGUPWWHVRT-UHFFFAOYSA-N 318.829 4.524 30 20 DJED Cc1ccc(Oc2ccc(Nc3ccc(C#N)cn3)cc2)cc1 1185073419 NLHCOVGTADHYEG-UHFFFAOYSA-N 301.349 4.798 30 20 DJED Cc1ccc(C#N)cc1NC(=O)Nc1ccc(C2CCC2)cc1 1201424064 CLHNVUZUGBXYDP-UHFFFAOYSA-N 305.381 4.778 30 20 DJED N#C[C@H]1CCC[C@H](Nc2cc(Cl)cc(Br)c2)C1 1206151990 VMQPIQQLZWHNCE-CABZTGNLSA-N 313.626 4.597 30 20 DJED CC[C@H](C)CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)C)C2 1274181868 HFEQDUNAZLYXIT-STQMWFEESA-N 318.486 4.755 30 20 DJED N#Cc1csc(CN2C[C@H]3CCCC[C@@]32c2ccccc2)c1 1324776400 OHOOPNGIZDZXAN-IEBWSBKVSA-N 308.450 4.521 30 20 DJED Cc1ccc(N(CCC#N)C(=O)[C@@H](F)CC2CCCCC2)cc1 1442730494 OCTQHMZJIIVKBA-SFHVURJKSA-N 316.420 4.550 30 20 DJED CCCN(c1ncc(C#N)cc1Cl)[C@@H](CC)c1ccccc1 1458133433 CPGMHMLHXFFFKA-KRWDZBQOSA-N 313.832 4.974 30 20 DJED C[C@@H](CC(C)(C)c1ccccc1)Nc1nc(Cl)c(C#N)s1 1458140131 KUXROKGDEOQIJT-NSHDSACASA-N 319.861 4.836 30 20 DJED CCN(Cc1cc(O)ccc1Cl)[C@H](C)c1ccc(C#N)cc1 1473118118 WGQRSIMFFRWLTA-CYBMUJFWSA-N 314.816 4.500 30 20 DJED CCCCC1CCC(CNCc2ccc(C#N)c(OC)c2)CC1 1473957817 PLDKICWISCKVIU-UHFFFAOYSA-N 314.473 4.653 30 20 DJED N#C[C@H]1CCC[C@@H](OC(=O)C2=C(c3ccccc3)CCCC2)C1 1528082418 XZOJRISWHXZJCU-DOTOQJQBSA-N 309.409 4.640 30 20 DJED Cc1ccc(N(C)CCCC(C)(C)C#N)cc1Br 1559777740 FMRNSRLIXHBRNY-UHFFFAOYSA-N 309.251 4.524 30 20 DJED N#CC1(CCSc2nc3ncc(Cl)cc3o2)CCCCC1 1653105447 ZBSSKPADRZLKQQ-UHFFFAOYSA-N 321.833 4.832 30 20 DJED C[C@H](Cc1coc2ccccc12)N[C@H](C)c1cccc(C#N)c1 1658897909 RLTPOIYGQRIFMM-HUUCEWRRSA-N 304.393 4.586 30 20 DJED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(C)cc1C 62368486 WAILIGFKXYXXET-UHFFFAOYSA-N 308.425 4.566 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2cc3ccccc3s2)cc1 63496615 CDAJUQGORBCQRR-UHFFFAOYSA-N 320.417 4.770 30 20 DJED C[C@H](C(=O)Nc1ccccc1C#N)c1ccc(Cl)c(Cl)c1 81811002 RXMRTJGGKWIFTN-JTQLQIEISA-N 319.191 4.607 30 20 DJED Cc1cccc(C)c1NC(=O)Nc1cccc(OCCCC#N)c1 113527688 FQYTZVAWTXAQMA-UHFFFAOYSA-N 323.396 4.630 30 20 DJED Cc1c(C(=O)N[C@](C)(C#N)C(C)C)oc2c1ccc1ccccc12 120704231 NVTNSTXIUSUWMS-HXUWFJFHSA-N 320.392 4.563 30 20 DJED CC[C@H](C#N)Sc1nnc(-c2ccccc2)c2ccccc12 127178556 KHBGCOOXFODVET-CQSZACIVSA-N 305.406 4.691 30 20 DJED CCCC[C@@H](CC)COc1ccc(Br)cc1C#N 128108678 MFLQLUCCQOYZLJ-GFCCVEGCSA-N 310.235 4.916 30 20 DJED CCC[C@H](NCc1ccc(C#N)s1)c1ccc(F)cc1F 150933397 LANXBSYRIWEUFF-INIZCTEOSA-N 306.381 4.529 30 20 DJED C#CCOc1ccc([C@@H](C)N[C@@H]2CCSc3ccccc32)cc1 155396804 GSMQVVDIEPQFFM-DNVCBOLYSA-N 323.461 4.586 30 20 DJED CCCCCCCC(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C 155800275 XBYWPVIDMCAHPD-QGZVFWFLSA-N 319.493 4.831 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(F)cc1C(F)(F)F 160404826 YXUFNFJVRKIJBQ-UHFFFAOYSA-N 301.283 4.551 30 20 DJED N#Cc1csc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)c1 176840010 FHZJGVWVMLCXBK-CMDGGOBGSA-N 322.433 4.506 30 20 DJED CCCc1ccc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 183577424 NKNBQWLNZSNARY-AWEZNQCLSA-N 323.396 4.574 30 20 DJED C[C@@H](NCc1cccc(C#N)c1F)c1ccc(Cl)cc1Cl 219525604 WEUDHXVYCHQEFN-SNVBAGLBSA-N 323.198 4.855 30 20 DJED Cc1c(Cl)cccc1NC(=O)[C@@H](C)SCCC(C)(C)C#N 289400837 NFTHXTCBCNDWAU-GFCCVEGCSA-N 324.877 4.649 30 20 DJED Cc1ccc([C@@H]2CCCCN2c2snc(Cl)c2C#N)cc1 301968964 ZMENUTSSFNRTFU-AWEZNQCLSA-N 317.845 4.708 30 20 DJED CC[C@@H](C)[C@H](C(=O)Nc1cccc(CC#N)c1)c1ccccc1 313530560 ZKDCVFJLUBHYIO-BEFAXECRSA-N 306.409 4.521 30 20 DJED Cc1noc(C)c1C(C)(C)/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@H]2C1 330278427 PQLPASZIKODPEX-HRCADAONSA-N 318.461 4.884 30 20 DJED Cc1cc(C)c(N/C(O)=N/[C@H](C)c2cc(C)sc2C)c(C)n1 331238994 OECHGDBQCRBEJP-GFCCVEGCSA-N 317.458 4.772 30 20 DJED C=CCC[C@H](NC(=O)[C@@H]1CCCC(F)(F)C1)c1ccccc1 409981906 VCZHIFWTQHDNLK-CVEARBPZSA-N 307.384 4.636 30 20 DJED C=CCC(C)(C)C(=O)N(C)c1nc2cc(Cl)ccc2s1 410765130 FMAXQERQPVIFCG-UHFFFAOYSA-N 308.834 4.515 30 20 DJED COc1cc(Cl)ccc1[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 421824969 LDTIEVNQQJPAAF-QWHCGFSZSA-N 314.816 4.632 30 20 DJED C=CCCCCCSc1nnc(Cc2ccccc2F)o1 447285281 FGEOECSKEYKGBM-UHFFFAOYSA-N 306.406 4.638 30 20 DJED C[C@H](NC1CCC(C)(C#N)CC1)c1ccc(-c2ccncc2)cc1 449186882 POINUYXCCNROKI-ATIQYGATSA-N 319.452 4.872 30 20 DJED CC(C)(C)Oc1ccc(Nc2ncc(C#N)cc2Cl)cc1 462883941 NTHHODUKPGRKHZ-UHFFFAOYSA-N 301.777 4.528 30 20 DJED C=CC[C@H](CC)NC(=O)N1CCCCC[C@@H]1c1ccc(C)o1 466385865 KWSHFDHZEZGBIU-JKSUJKDBSA-N 304.434 4.569 30 20 DJED C[C@H](N[C@@H](C)C1CCC(C(F)(F)F)CC1)c1ccc(C#N)cc1 474481110 UFBSLQNGSJGZOJ-SCQRFTTHSA-N 324.390 4.966 30 20 DJED CN(C(=O)CC1CCCCCC1)c1cc(Cl)ccc1C#N 479560453 ALZDXLRAIMDSQS-UHFFFAOYSA-N 304.821 4.535 30 20 DJED C=CCOc1ccc(C(=O)N(CC)c2cccc(Cl)c2)cc1 500994088 HHVJATDNZQJZGW-UHFFFAOYSA-N 315.800 4.572 30 20 DJED CSc1ccc(C)c(C(=O)Nc2sc(C)c(C)c2C#N)c1 514981256 NMBNWCZVCPHKBZ-UHFFFAOYSA-N 316.451 4.519 30 20 DJED CCCC[C@H](CC)C(=O)Nc1cccc(OCCCC#N)c1 515619755 MACLIFUWVOBOBL-HNNXBMFYSA-N 302.418 4.524 30 20 DJED C=C[C@](C)(CC)c1nc(-c2cccc(-c3cscn3)c2)no1 516604191 LMVMXQFIPBOSIF-QGZVFWFLSA-N 311.410 4.714 30 20 DJED Cc1c(Cl)cccc1NCc1cccc(OCCCC#N)c1 532746883 JRBWRXXEJHXEEW-UHFFFAOYSA-N 314.816 4.943 30 20 DJED Cc1cc(CN[C@H](C)c2cccc(C#N)c2)c2[nH]c(C)c(C)c2c1 540596675 WKNSJEZGVRFORO-MRXNPFEDSA-N 317.436 4.816 30 20 DJED Cc1c(C(=O)Nc2ccccc2CC#N)sc2cccc(F)c12 550080813 OQSHSNLMHJPADD-UHFFFAOYSA-N 324.380 4.667 30 20 DJED CC(C)[C@@H](NC(=O)CCCCCC#N)c1ccc(Cl)cc1F 588675333 IZCCJSFDANXDQJ-QGZVFWFLSA-N 324.827 4.766 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccccc1C1CC1 591357483 FTSMOCNBKFVZNA-OAQYLSRUSA-N 302.421 4.603 30 20 DJED CC(C)C[C@@H](C(=O)N[C@H](C)c1cccc(C#N)c1)c1ccccc1 610363515 XVGYZSIXJFZFIY-OXQOHEQNSA-N 320.436 4.565 30 20 DJED C[C@@H](NC1(c2ccc(F)cc2)CCC1)c1ccc(C#N)c(F)c1 611470672 XOLDKSMRXMFOEG-CYBMUJFWSA-N 312.363 4.566 30 20 DJED CCN(C(=S)Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 726435815 FQFBLQVAKLUKHM-UHFFFAOYSA-N 321.877 4.563 30 20 DJED COc1cccc(/C=C2\Cc3c(ccc(Cl)c3Cl)C2=O)c1 729151465 SEPYPTGWKZBTQE-YRNVUSSQSA-N 319.187 4.824 30 20 DJED C=CC[C@@H](NC(=O)C[C@@H](C)c1ccc(CC)cc1)c1ccncc1 737855512 VWVOWWIFJIVGNN-OXQOHEQNSA-N 322.452 4.571 30 20 DJED CCn1nc(C)c(C(=O)/C=C\c2ccc3ccccc3c2)c1C 750914147 SINMHUSCVFTDCQ-BENRWUELSA-N 304.393 4.569 30 20 DJED COCc1ccc(/C=C2\C(=O)c3cccc4c3[C@H]2CCC4)cc1 763288687 IQBRNKUMXRLBJS-LSPINASFSA-N 304.389 4.533 30 20 DJED CC(=O)Nc1ccc(/C=C2/C(=O)c3ccccc3[C@H]2C(C)C)cc1 766505403 HPOOBSBZPOYIFJ-QDDTUJKSSA-N 319.404 4.665 30 20 DJED CCN(Cc1cc(Cl)ccc1O)[C@@H](C)c1ccc(C#N)cc1 768512031 GCWNWZBDZOMVNM-ZDUSSCGKSA-N 314.816 4.500 30 20 DJED Cc1cc([C@@H](Nc2snc(Cl)c2C#N)C2CC2)ccc1F 771256921 NBRDAHXJSCFAGY-ZDUSSCGKSA-N 321.808 4.679 30 20 DJED CC[C@H](C#N)Oc1cccc(CN[C@H](C)[C@@H](C)c2ccccc2)c1 772984792 QEMZRSJJBMTQTB-MBOZVWFJSA-N 322.452 4.649 30 20 DJED C#CC[C@@H](N[C@H](C)c1ccc2ccccc2n1)c1ccccc1 773113848 FUWILDSJQJJKPQ-OXQOHEQNSA-N 300.405 4.650 30 20 DJED COc1ccc(-c2ccccc2)cc1/C=C\C(=O)c1ccncc1 776188101 HWNCDEIZIPEAQH-CLFYSBASSA-N 315.372 4.653 30 20 DJED C[C@@H](Nc1cccc(Br)c1)c1ccc(C#N)c(F)c1 776777680 MHNXFEVQFAVDLK-SNVBAGLBSA-N 319.177 4.633 30 20 DJED C=C(C)CN(C)C(=O)c1cc(-c2cccs2)nc2ccccc12 778120793 CXAPEEUYKCBCBF-UHFFFAOYSA-N 322.433 4.611 30 20 DJED C#CCCCCCC(=O)Nc1c(C)cc(C)cc1Br 779989033 SIZBQOAQCOONKZ-UHFFFAOYSA-N 322.246 4.588 30 20 DJED O=C1/C(=C/c2cc(Cl)cs2)CCc2ccc([N+](=O)[O-])cc21 782355619 UNXCRPAJBBIRBC-BJMVGYQFSA-N 319.769 4.522 30 20 DJED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1ccc(C(F)F)cc1 794943299 XFIZITQATWUDQN-UITAMQMPSA-N 317.291 4.737 30 20 DJED N#CC1(CSc2ncc(-c3ccc(F)cc3)o2)CCCC1 806586613 XQZIMCWISIERFR-UHFFFAOYSA-N 302.374 4.657 30 20 DJED C/C(=C/c1ccccc1Cl)C(=O)Nc1scc(C)c1C#N 809001600 OKLIGNCXDNCYOT-YFHOEESVSA-N 316.813 4.624 30 20 DJED Cc1cc(NN=C2CCC[C@H](C#N)C2)nc2ccc(Cl)cc12 814769303 MKIIJJCSWAWCRA-LBPRGKRZSA-N 312.804 4.678 30 20 DJED CC1(C)CC=C(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)CC1 835040679 FRCUSVSGKKTEJF-INIZCTEOSA-N 304.393 4.548 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)n1 835200733 OHRUDRJLDOECDQ-REWJHTLYSA-N 304.459 4.515 30 20 DJED FC(F)(F)[C@@H]1CCC[C@H](C=NNc2ncccc2Cl)C1 853294541 UVLJXOHUKNTVRH-VHSXEESVSA-N 305.731 4.501 30 20 DJED C=C[C@@H](Cc1nc(-c2ccccc2Cl)no1)c1ccccc1 904569081 UBLBGTGRVGRXAJ-ZDUSSCGKSA-N 310.784 4.902 30 20 DJED C=C(Cl)CSCc1csc(-c2ccc(OC)cc2)n1 914431559 JKKNIECTOSLPPA-UHFFFAOYSA-N 311.859 4.804 30 20 DJED CCCC(=NNc1nncc2ccccc12)c1ccc(Cl)cc1 915914472 PIXLAHZERQUGHV-UHFFFAOYSA-N 324.815 4.900 30 20 DJED CC(=NNc1ncc(Cl)cc1Cl)c1ccc(F)cc1F 916316739 KKHUADPWJKIYDC-UHFFFAOYSA-N 316.138 4.503 30 20 DJED CCCCCCCSc1nncn1[C@H](C)c1ccccc1 917255612 ALWSUQGPXMWGIS-OAHLLOKOSA-N 303.475 4.950 30 20 DJED CCCCCCCCCNC(=O)N1CCC[C@@H]1c1ccccn1 919900780 SCVLOCKVAFWLNC-GOSISDBHSA-N 317.477 4.679 30 20 DJED C=C[C@H](CC)CC(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C 932575307 ANCAVFYHWQHQAL-CQSZACIVSA-N 316.445 4.520 30 20 DJED C[C@H]1C[C@@H](C)Cc2c1sc(NC(=O)c1cccs1)c2C#N 1129332394 HFXOCEKMZFXBHM-ZJUUUORDSA-N 316.451 4.619 30 20 DJED CCc1ccc(-c2ccc(C(=O)O[C@H]3CCC[C@@H](C#N)C3)o2)cc1 1129725430 VMEOESJYTULUGB-WBVHZDCISA-N 323.392 4.748 30 20 DJED C[C@@H](CCC(C)(C)C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1129977617 YQZDUWCKLOTWPK-KBXCAEBGSA-N 312.457 4.514 30 20 DJED COc1cc(CNc2cc(C)cc3ccccc23)ccc1C#N 1178754503 PJECZGQQEXABQM-UHFFFAOYSA-N 302.377 4.641 30 20 DJED C[C@@H](OC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)c1cccc(C#N)c1 1266018825 KTCAFMXSEAZMDH-YCEFEEMOSA-N 311.425 4.769 30 20 DJED CC1(C)CCCC[C@@H]1CC(=O)Nc1cc(C#N)c2ccccc2n1 1271872646 PSUKKFYRIYOIOV-OAHLLOKOSA-N 321.424 4.651 30 20 DJED N#Cc1ccnc(C(=O)OC2CCCCCCCCCCC2)c1 1352588243 PRKWEVSHROSVEM-UHFFFAOYSA-N 314.429 4.783 30 20 DJED Cc1cc(Oc2cc(C)c(C#N)c(C)c2C)nc(C2CCC2)n1 1458361092 AFEUZUMSSYUCDQ-UHFFFAOYSA-N 307.397 4.642 30 20 DJED CC(C)CN(Cc1cc(Cl)ccc1OCC#N)CC(C)(C)C 1459769898 PEZIKOWJNFWEQO-UHFFFAOYSA-N 322.880 4.746 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCC=C(c2ccccc2)C1 1460087250 XSVHVFRTSQTNMO-UHFFFAOYSA-N 308.812 4.501 30 20 DJED N#Cc1cccc(CN(c2ccccc2)C2Cc3ccccc3C2)c1 1473258012 BXDWAPCADSXPLA-UHFFFAOYSA-N 324.427 4.732 30 20 DJED CCCC[C@@H](CC)CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1529288052 YCMMPFMKDVGDHL-DNVCBOLYSA-N 312.457 4.658 30 20 DJED N#Cc1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)cc1F 1584264722 SOFZRLNKBPAXQI-UHFFFAOYSA-N 322.383 4.997 30 20 DJED CC(C)Oc1cccc(COc2ccc(C#N)c(Cl)c2)c1 1613720845 RREJBFABDHLSBB-UHFFFAOYSA-N 301.773 4.578 30 20 DJED Cc1cc(NC[C@@H]2CCCC[C@@H]2c2ccccc2)ncc1C#N 1639916460 QWTZZHBLOLRKSW-PKOBYXMFSA-N 305.425 4.648 30 20 DJED N#Cc1cc(F)ccc1CSc1nc2cccc(F)c2s1 1644185003 GCJOLNLMBBQITG-UHFFFAOYSA-N 318.373 4.738 30 20 DJED N#Cc1ccc(CCN2C[C@@H]3CCCC[C@]32c2ccccc2)cc1 1644801948 JHRZMUFKCKFWHF-VXKWHMMOSA-N 316.448 4.502 30 20 DJED CCCN(CCCC(C)(C)C#N)[C@@H]1C[C@H](OCC)C12CCCC2 1653409178 OGIKMOOJYNKMCY-MSOLQXFVSA-N 320.521 4.766 30 20 DJED Cc1cc(CN[C@H]2CCc3ccc(C(C)C)cc32)ccc1C#N 1657829190 LSCAOSRPSFVXIA-NRFANRHFSA-N 304.437 4.767 30 20 DJED N#Cc1cc(N[C@@H]2C[C@H]3CC[C@H]2C3)ccc1Oc1ccccc1 1657865719 GOIHBAPPNWSDJY-YZVOILCLSA-N 304.393 4.951 30 20 DJED N#Cc1ccc(CN[C@@H]2CCC[C@H]2Cc2ccccc2)cc1Cl 1657885724 BHLSNHKTUQFSMG-FXAWDEMLSA-N 324.855 4.713 30 20 DJED C=C(CNC(=O)Nc1ccc(OCCC)c(C)c1)c1ccccc1 1673447750 ORUFSODTEGXIGG-UHFFFAOYSA-N 324.424 4.619 30 20 DJED N#Cc1cccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1 26457195 OTXQABTZZLWEBQ-UHFFFAOYSA-N 324.811 4.662 30 20 DJED C=C(C)CN(CC)C(=O)c1oc2c(ccc3ccccc32)c1C 60624929 BPXAFSZMXZRXKS-UHFFFAOYSA-N 307.393 4.933 30 20 DJED C=C[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)c1ccccc1 127238108 PPHNCHRUZOYBFI-FXAWDEMLSA-N 305.421 4.710 30 20 DJED C[C@H](Nc1cc(F)ccc1Br)c1cccc(C#N)c1 232237646 NPVICXJUSQZXNB-JTQLQIEISA-N 319.177 4.633 30 20 DJED CC(C)[C@@H](NCc1cccc(OCCCC#N)c1)c1ccccc1 236740307 HVQTZMFWERADKB-OAQYLSRUSA-N 322.452 4.856 30 20 DJED C#CCCOc1ccc(CN[C@@H](C)c2cccc(C)c2C)cc1 237479039 YBADQXHZINKXPD-SFHVURJKSA-N 307.437 4.556 30 20 DJED N#Cc1cccc(CN[C@@H](c2ccccc2F)C2CCCC2)c1 237878862 SCYOZLGXOKOAPP-HXUWFJFHSA-N 308.400 4.718 30 20 DJED C#CCCCC(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 277068028 SFSZBCHWILAQCV-INIZCTEOSA-N 311.450 4.641 30 20 DJED CC1(C)CCCC[C@@H]1C/C(O)=N/[C@H]1CCC(O)=NC12CCC2 328736638 JUXCJOUPWXRHDJ-KGLIPLIRSA-N 306.450 4.591 30 20 DJED Cc1[nH]nc(-c2ccccc2)c1N=C(O)C[C@@H]1C[C@H]2CC[C@H]1C2 330135889 SYHYWCDUYFTQSU-BPUTZDHNSA-N 309.413 4.799 30 20 DJED N#Cc1ccc(C(F)(F)F)nc1N1CCC2(CCCCC2)CC1 391283689 OGKBONNTZNUGOM-UHFFFAOYSA-N 323.362 4.523 30 20 DJED C=CCN(Cc1cccs1)[C@@H](C)c1ncc(C(C)(C)C)o1 411139697 RYHUXFBNZCBHSX-ZDUSSCGKSA-N 304.459 4.783 30 20 DJED CC(C)(C#N)CCCNc1cc(Cl)ccc1OC(F)F 424573794 SWUZNLABQPQPKR-UHFFFAOYSA-N 302.752 4.683 30 20 DJED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3coc(C)c3)n2)cc1 444460194 ZTEYXHYGPACIRS-HNNXBMFYSA-N 322.389 4.510 30 20 DJED C=CC(C)(C)C(=O)N1CC=C(c2cccc3ccccc23)CC1 448824299 RIOKBVUSSFLWIH-UHFFFAOYSA-N 305.421 4.668 30 20 DJED C=CCC1(NC(=O)Nc2cnn([C@H](C)CC)c2C)CCCCC1 455264270 OIOFUKKOBXMPOL-CQSZACIVSA-N 318.465 4.563 30 20 DJED CCCOc1cccc(NC(=O)C[C@H](CC#N)c2ccccc2)c1 474773562 HLKWEMOHFHTVRG-KRWDZBQOSA-N 322.408 4.501 30 20 DJED Cc1ccc(-c2cccnc2)cc1N[C@H](C#N)C1CCCCC1 479824697 POYZDWADMHNGSO-HXUWFJFHSA-N 305.425 4.941 30 20 DJED C=C(C)[C@H](NCc1c(F)cccc1F)c1ccc(F)c(F)c1 481619368 JMOGFSGZIPLDSV-KRWDZBQOSA-N 309.306 4.650 30 20 DJED CC(C)(C#N)c1ccccc1CNc1ccc(C#N)cc1Cl 486583525 DWUBDRYQXTVJNF-UHFFFAOYSA-N 309.800 4.625 30 20 DJED N#Cc1ccc(C(=O)Nc2cccc(Nc3ccccc3)c2)s1 487636147 CKRGNESZIHSMHR-UHFFFAOYSA-N 319.389 4.616 30 20 DJED C[C@@H](Nc1ccn(-c2ccccc2Cl)n1)c1cccc(C#N)c1 527210944 CLSKBJRJXNCMGO-CYBMUJFWSA-N 322.799 4.570 30 20 DJED CC(C)c1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1Cl 530326945 KTGMVTWPNKSXBV-UHFFFAOYSA-N 312.800 4.612 30 20 DJED N#CCC1CCN(Cc2ccc(-c3ccccc3Cl)o2)CC1 540995709 QTTVWOWOVBZFOG-UHFFFAOYSA-N 314.816 4.726 30 20 DJED N#C[C@@H]1CC[C@H](N2CCC(c3ccc(Cl)cc3Cl)CC2)C1 578791891 ZBAPOXMVJMIBPI-DOMZBBRYSA-N 323.267 4.865 30 20 DJED CC[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cc(F)ccc1F 618803019 GKIYHUURGFMKFK-RTBURBONSA-N 312.363 4.565 30 20 DJED C=CCC[C@H](NCc1ccnc(Oc2ccccc2)c1)C1CC1 676637435 NCWYISLXQUONKF-IBGZPJMESA-N 308.425 4.708 30 20 DJED CC(CC(C)(C)c1ccccc1)=NNc1cnc2ccccc2n1 727255790 GKEDWSDYKASDKX-UHFFFAOYSA-N 318.424 4.786 30 20 DJED C#Cc1cccc(N(C(=O)c2ccc(C(F)F)cc2)C(C)C)c1 728246222 QLHQECWMOBRLSU-UHFFFAOYSA-N 313.347 4.661 30 20 DJED O=C1/C(=C/c2csc3ccccc23)CCOc2ccccc21 728441369 INJXXLMAWQNHNY-ACCUITESSA-N 306.386 4.950 30 20 DJED C=CC1CCN(C(=O)c2sccc2-c2ccc(F)cc2)CC1 732002986 GVSRWBAXDLAOSV-UHFFFAOYSA-N 315.413 4.592 30 20 DJED CC(=NNc1cc(C)cc(C)c1)c1c(Cl)nc2sccn12 741836663 CZPOFBPCIQVKOV-UHFFFAOYSA-N 318.833 4.502 30 20 DJED CCCCCCCCCC(=O)N[C@H](C)c1cccc(C#N)c1 743777351 UBVMSOFQISMUHO-MRXNPFEDSA-N 300.446 4.876 30 20 DJED CC(=NOCc1ccccc1)c1ccc(-c2ccncc2)cc1 745200971 KIUPTXQMOBFCAP-UHFFFAOYSA-N 302.377 4.689 30 20 DJED C=CCN(C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C)C(C)C 745876751 UZAARYRHUSAEFD-XOKHGSTOSA-N 320.864 4.643 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1ccc2c(c1)-c1ccccc1C2 746376489 FFKKUPFDRCNHEB-UHFFFAOYSA-N 324.383 4.690 30 20 DJED Clc1cccc(C2CC(=NNc3nc4ccccc4[nH]3)C2)c1 753919118 RIUPXAJLCAEXCY-UHFFFAOYSA-N 310.788 4.562 30 20 DJED CCc1cnccc1C(=O)/C=C\c1cccc(C(F)(F)F)c1 766771307 BVEQWTXXHQDTMJ-SREVYHEPSA-N 305.299 4.559 30 20 DJED CCCC(=CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1)CCC 770742730 WLIFXGFZXLWOJM-INIZCTEOSA-N 304.821 4.547 30 20 DJED C=C(C)[C@H](NC(=S)Nc1ccccc1)c1ccc(F)c(F)c1 774208321 WPHHIFKNLVKEBG-INIZCTEOSA-N 318.392 4.569 30 20 DJED CC(=NOCCC(F)(F)F)c1cc(Cl)sc1Cl 777462360 ABBLSYKBNKHLKX-UHFFFAOYSA-N 306.136 4.748 30 20 DJED CC[C@H](C#N)Sc1nc2cc(C(F)(F)F)ccc2s1 780337826 IAJWSFKEPRMUBL-MRVPVSSYSA-N 302.346 4.709 30 20 DJED C=CCCN(OCc1ccccc1)C(=O)Nc1c(C)cccc1C 782675603 HXECSDRIXJVJJJ-UHFFFAOYSA-N 324.424 4.845 30 20 DJED CCCCCCCCS(=O)(=O)[C@H](C)c1ccccc1F 790143150 AUODJFGSDWCPIJ-CQSZACIVSA-N 300.439 4.662 30 20 DJED CCCCCCC[C@H](C)N[C@@H]1CCO[C@@H](c2ccncc2)C1 824954063 OHSQNTIBAVIYDF-QXAKKESOSA-N 304.478 4.640 30 20 DJED CC(C)Oc1ccccc1C=NOCc1ccccc1Cl 852283798 BRQPMEQVKXQWKZ-UHFFFAOYSA-N 303.789 4.678 30 20 DJED CC(C)(NCc1ccc(C#N)s1)c1ccc(C(F)(F)F)cc1 880385954 ZYFMGHHMUJFIDG-UHFFFAOYSA-N 324.371 4.663 30 20 DJED C/C(C=NNc1ncccc1C(F)(F)F)=C/c1ccccc1 915051189 NTLRTJNZASTQNR-DYSNZJPKSA-N 305.303 4.602 30 20 DJED CCOc1cc(/C=C\C(=O)c2ccccc2Cl)ccc1OC 916135223 LNFYOTDMNHFVSV-NTMALXAHSA-N 316.784 4.643 30 20 DJED CSc1ccc(/C=C\C(=O)c2ccccc2OC(F)F)cc1 916140179 DVIGBCPVYSAXJR-FLIBITNWSA-N 320.360 4.906 30 20 DJED Fc1cccc(C=NOCc2c(Cl)ccc3cccnc23)c1 917395396 MDGGSYMVMSMVFI-UHFFFAOYSA-N 314.747 4.578 30 20 DJED O=C(/C=C/c1cn2cc(Cl)ccc2n1)c1ccccc1Cl 920755339 IMFYRKVYVMAJES-VOTSOKGWSA-N 317.175 4.537 30 20 DJED N#CC1(CCCCN2CCC[C@@H](CC(F)(F)F)C2)CCC1 930747958 HFMRTTQHPABBKT-AWEZNQCLSA-N 302.384 4.515 30 20 DJED CCC[C@H]1CCC[C@H]1C(=O)N(CCC)Cc1ccc(C#N)cc1 1124959311 UOTQITZNJJGDBL-RBUKOAKNSA-N 312.457 4.513 30 20 DJED Cc1cc(Oc2ccc(OCc3ccccc3)cc2)ncc1C#N 1161975508 XEGHFYJPOVNOSL-UHFFFAOYSA-N 316.360 4.633 30 20 DJED Cc1ccc(C(C)(C)CNc2ncc(C#N)cc2Cl)c(C)c1 1186572120 QHMFXERMOQLICY-UHFFFAOYSA-N 313.832 4.613 30 20 DJED N#Cc1cc(CN2CCC[C@@H]2CCC2CCCC2)ccc1F 1307583730 URYWCODONVKLIK-GOSISDBHSA-N 300.421 4.632 30 20 DJED N#Cc1cc(Cl)ccc1SCc1cccc2c1CCOC2 1458968706 MMWUNGLQOONNBM-UHFFFAOYSA-N 315.825 4.577 30 20 DJED N#Cc1cccc(SC[C@H](O)c2ccc(Cl)cc2Cl)c1 1472996855 MGSAXQMYOPHJNY-HNNXBMFYSA-N 324.232 4.691 30 20 DJED Cc1cc(C#N)cc(N[C@H]2C[C@H](Oc3ccccc3)C2(C)C)c1 1474578242 QQNPPSJNIGSNQS-OALUTQOASA-N 306.409 4.525 30 20 DJED Cc1ccccc1[C@H](CC(C)C)NC(=O)Nc1ccc(C#N)cc1 1475824743 YYBZINMMSLZSNJ-IBGZPJMESA-N 321.424 4.776 30 20 DJED Cc1ccc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2C)cc1 1522475482 FMYWZTWONQJNKF-HXUWFJFHSA-N 318.420 4.543 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1ccc(C)c2ccccc12 1523496816 JHUSAZBEMBAENI-UHFFFAOYSA-N 308.425 4.693 30 20 DJED CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(C#N)c1 1526210824 IZWUPLBWNXLULX-HOCLYGCPSA-N 318.848 4.546 30 20 DJED C[C@@H](CCC1CCCCC1)NC(=O)[C@@H](CC#N)c1ccccc1 1529376531 WUOMMDDJBFRPNV-LPHOPBHVSA-N 312.457 4.549 30 20 DJED CCc1ccc([C@@H](C)CC(=O)Nc2cc(C#N)ccc2C)cc1 1531958762 CNFSVBIUJSLWNK-HNNXBMFYSA-N 306.409 4.561 30 20 DJED CC(C)(C)C[C@@H](NC(=O)c1ccc(C#N)s1)c1ccccc1 1533743641 NCWJMOVHUHOQCD-OAHLLOKOSA-N 312.438 4.527 30 20 DJED CC[C@@H](OC(=O)c1cc(C#N)cs1)c1c(F)cccc1Cl 1535280579 NYGZICDHZACDJT-GFCCVEGCSA-N 323.776 4.720 30 20 DJED N#CCc1ccc(CN2CCC[C@H]2c2cccc(Cl)c2)cc1 1615188611 ZTQDHXHRGJFCSN-IBGZPJMESA-N 310.828 4.743 30 20 DJED N#Cc1cccc(C#N)c1Nc1cccc(Oc2ccccc2)c1 1639182600 WTAWGVXROTVONC-UHFFFAOYSA-N 311.344 4.966 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2CC[C@@H](C3CCCCC3)C2)n1 1642904492 MYFMPMNEHOXCHX-QGZVFWFLSA-N 311.473 4.657 30 20 DJED C[C@H](c1cccc(C#N)c1)N1CCC(CCc2ccccc2)CC1 1648339221 COWKTYQVSLVERO-GOSISDBHSA-N 318.464 4.964 30 20 DJED C[C@]1(Cc2ccccc2)CCCN1CCC1(C#N)CCCCC1 1654049914 OGLUXLMWMPSDHX-HXUWFJFHSA-N 310.485 4.948 30 20 DJED CN(CCC(C#N)(c1ccccc1)c1ccccc1)CC1CCC1 1654999118 PVEHTODJJXSUDS-UHFFFAOYSA-N 318.464 4.618 30 20 DJED N#Cc1ccc(CCN[C@H]2CCCC[C@@H](c3ccccc3)C2)cc1 1656622237 FHSSVAKCSFXMLN-YADHBBJMSA-N 318.464 4.807 30 20 DJED CCOC(=O)Nc1ccc(N[C@H](CC)C[C@@H](C)CC)cc1C#N 1657733662 GRJQLIRKFPLQBM-DZGCQCFKSA-N 317.433 4.753 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C 1669600400 IFFBNCBZBHXITI-HZPDHXFCSA-N 313.445 4.593 30 20 DJED C[C@H](C=NNc1ccc(C(=O)O)c(F)c1)CC1CCCCC1 1776075194 TUVDZPXVPMYAKL-LBPRGKRZSA-N 306.381 4.528 30 20 DJED C=CCCC(=O)Nc1ccc(Sc2ccc(OC)cc2)cc1 78479179 WAXSXHJSILKNIY-UHFFFAOYSA-N 313.422 4.751 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)CC1=CCCCC1 108237147 IXZJVQCEMBXOIO-CQSZACIVSA-N 314.454 4.767 30 20 DJED CCCCCCC[S@](=O)[C@@H](C)c1nc(-c2ccccc2)no1 133487782 XSSLXXJXBBKXQF-RCDICMHDSA-N 320.458 4.517 30 20 DJED C=CCC[C@@H](NC(=O)N(C)[C@H](C)c1ccco1)c1ccccc1 160443708 XEGKGKQFJUQXMO-NVXWUHKLSA-N 312.413 4.690 30 20 DJED C=CCCCC(=O)N(CC=C)c1nc(-c2ccccc2)cs1 175601120 YPHSPTFVRXYIQV-UHFFFAOYSA-N 312.438 4.685 30 20 DJED CCOc1cc(/C=C\C(=O)c2ccc(Cl)s2)ccc1OC 206089073 BFMOFBUELFVLJV-XQRVVYSFSA-N 322.813 4.705 30 20 DJED CCC1CCC(CNc2ccc(C#N)c(Br)c2)CC1 228184196 CMSFFTFSQNKDPW-UHFFFAOYSA-N 321.262 4.949 30 20 DJED C[C@@H]1CCN=C(O)[C@H]1/N=C(/O)C1(C2CCCCC2)CCCCC1 328829857 URBMDBQMHIBLMU-ZBFHGGJFSA-N 320.477 4.839 30 20 DJED N#CC1(CC[S@@](=O)[C@@H]2CCCc3ccccc32)CCCCC1 414237473 BDUWCMWCUAEPPG-XMSQKQJNSA-N 315.482 4.677 30 20 DJED Cc1ccccc1NC(=O)c1sc2ccc(C#N)cc2c1C 429951774 YYZIACOUNDGFMC-UHFFFAOYSA-N 306.390 4.642 30 20 DJED N#CCCCCN[C@H](Cc1ccccc1Cl)c1ccsc1 453107513 LGPZHEBTWSOXRM-QGZVFWFLSA-N 318.873 4.969 30 20 DJED CC[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)c1ccc(C)cc1 462930299 QVKCLHSCNNKOMK-CQSZACIVSA-N 319.330 4.844 30 20 DJED N#C[C@@H]1CCC[C@@H](NCc2ccc(OC3CCCCC3)cc2)C1 463293732 MOTZJKXCNHFICA-QZTJIDSGSA-N 312.457 4.570 30 20 DJED CC(C)(C#N)c1ccc(C(=O)N2CCC3(CCCCC3)CC2)cc1 475535218 FSPHTGWESIASGV-UHFFFAOYSA-N 324.468 4.674 30 20 DJED CC(C)(C)CN(CCC#N)C(=O)CCCCCc1cccs1 494327446 QKWIHUVXEWBJMJ-UHFFFAOYSA-N 320.502 4.639 30 20 DJED N#CCCCN[C@@H](Cc1ccccc1Cl)c1cccs1 494980701 PFESYGPHSSJHQS-HNNXBMFYSA-N 304.846 4.579 30 20 DJED C=CCCO[C@H](C)C(=O)N[C@@H](c1ccc(C(C)C)cc1)C(C)C 495427463 OCOGCBFKXGEYQB-VQIMIIECSA-N 317.473 4.605 30 20 DJED N#Cc1cccc(CSCc2cc(-c3ccccc3)on2)c1 522967895 RNASILMNMZWUAH-UHFFFAOYSA-N 306.390 4.647 30 20 DJED C=CCN(Cc1ccccc1)C(=O)[C@@H](C)c1cccc(Cl)c1 525665091 JCATWKDLNQPIAD-HNNXBMFYSA-N 313.828 4.658 30 20 DJED C=C[C@H](CC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccccc1 534677702 OAYMEZUICZYTPT-DUXKGJEZSA-N 319.448 4.799 30 20 DJED C=C(CC)CN(Cc1nnc(-c2ccccc2Cl)o1)C(C)C 536888170 TWFFZKRLNJWPGW-UHFFFAOYSA-N 319.836 4.567 30 20 DJED C=CCCC[C@@H](C)NC(=O)Nc1ccccc1C(F)(F)F 537184076 ZDJUHDXYCCEYNT-LLVKDONJSA-N 300.324 4.572 30 20 DJED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cc2ccncc2s1 595039267 FLMUYSREAOLVJS-PXAZEXFGSA-N 319.433 4.506 30 20 DJED CC[C@@H](C)Sc1ccc(NC[C@@H](O)CC(C)(C)C#N)c(C)c1 598726674 VIZPDGQQYXEUBG-CABCVRRESA-N 320.502 4.598 30 20 DJED CCOc1cc(/C=C/c2ccc(C#N)cn2)ccc1OCC(C)C 603894474 XAZGRHVHULUKQB-VMPITWQZSA-N 322.408 4.557 30 20 DJED C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 619746673 GLXSJSOFIOOVSK-LLVKDONJSA-N 305.208 4.716 30 20 DJED CC(=O)c1ccc(C#N)c(NC[C@@H]2CCCC[C@H]2C(F)(F)F)c1 680374654 HUTKTVZKQAMPHR-LSDHHAIUSA-N 324.346 4.541 30 20 DJED C=CCCOCC(=O)Nc1cc(-c2ccccc2)ccc1Cl 684247793 LRRLWBLRSVSQSN-UHFFFAOYSA-N 315.800 4.538 30 20 DJED CC(=NNc1cccc(F)c1)c1ccc(Cl)c(Cl)c1O 727651099 IAMXXAIBWMPBCK-UHFFFAOYSA-N 313.159 4.674 30 20 DJED C=CCc1cc(/C=C/C(=O)c2cc(C)cc(C)c2)cc(OC)c1O 730436754 LWIOZXUSMICCPI-BQYQJAHWSA-N 322.404 4.642 30 20 DJED C=CCN(Cc1cccs1)C(=S)NC[C@H](CC)CCCC 730594067 KYVMTVLHMWQRDA-OAHLLOKOSA-N 324.559 4.827 30 20 DJED C/C(C=NNc1cccc(C(F)(F)F)n1)=C/c1ccccc1 739426494 MSVAQGSJKAQCBO-NYIGFVHDSA-N 305.303 4.602 30 20 DJED CC(=NNc1ccc(Cl)nn1)c1cccc(-c2ccccc2)c1 746485484 WYLSBBMSLSBEEV-UHFFFAOYSA-N 322.799 4.633 30 20 DJED O=C(/C=C/c1cc(Cl)ccc1OC(F)F)c1ccsc1 749105745 XZYRQFOQUPVDBV-HNQUOIGGSA-N 314.740 4.899 30 20 DJED CC(=C/c1ccccc1)/C=C/C(=O)c1ccc(-n2cccn2)cc1 750905020 LGLORVMWTGLDDL-NINYVLCNSA-N 314.388 4.715 30 20 DJED C#CCCCCNC(=O)Nc1ccc2oc3ccccc3c2c1 758498033 VMOVNLRNJPRQOT-UHFFFAOYSA-N 306.365 4.511 30 20 DJED Fc1ccc(NN=Cc2csc(-c3ccc(F)cc3)n2)cc1 767035375 YXTAJFHTHHAWND-UHFFFAOYSA-N 315.348 4.534 30 20 DJED O=C(/C=C\c1cccc(OCc2ccccc2)c1)c1cscn1 769259746 KPFKKSXNCJBSBA-KTKRTIGZSA-N 321.401 4.618 30 20 DJED C[C@H](C#N)Oc1ccc(CN2CCCC3(CCCCC3)C2)cc1 769404824 QIAJXEQSJHCLEB-QGZVFWFLSA-N 312.457 4.524 30 20 DJED CC(=NNc1c(C)cccc1F)c1sc(C(C)C)nc1C 769840764 NYCXGFPYAIUTQQ-UHFFFAOYSA-N 305.422 4.859 30 20 DJED C#CCCCCCC(=O)N1CCC[C@H]1[C@H](CC)c1ccccc1 780443225 RWLJTVWBXHPZCG-UXHICEINSA-N 311.469 4.755 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C\c3cc(Cl)cs3)c2c1 782326312 OMYPUCXKJYFLKJ-HYXAFXHYSA-N 317.797 4.788 30 20 DJED Cc1cc(/C=C/C(=O)c2cnn(C(C)C)c2C)ccc1Cl 787186465 CLLBBZMQQGSCQW-SOFGYWHQSA-N 302.805 4.630 30 20 DJED CCSc1cccc(/C=C/C(=O)c2cnn(C(C)C)c2C)c1 787186797 JGXQLOMWEJVFAH-MDZDMXLPSA-N 314.454 4.781 30 20 DJED CC[C@](C)(NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 793461599 ZXUDAPMZBDPJLM-NRFANRHFSA-N 320.436 4.543 30 20 DJED CC(C)(C)CCC(=NNc1cccc(C#N)c1)c1cscn1 807960655 JWSNUSCLYPKWIM-UHFFFAOYSA-N 312.442 4.657 30 20 DJED CC(C)c1ccc(N(C)C(=O)Nc2ccc(CC#N)cc2)cc1 847106602 CRVISBVWCQERGQ-UHFFFAOYSA-N 307.397 4.544 30 20 DJED Oc1nc2ccccc2cc1C=Nc1cccc2c1CCCC2 912773686 MKQGZXFCVDUYDJ-UHFFFAOYSA-N 302.377 4.570 30 20 DJED CCCc1nc2ccccc2c(C(=O)OCCCCC#N)c1CC 912957759 ZAMXNMDVCFQGNM-UHFFFAOYSA-N 324.424 4.600 30 20 DJED N#Cc1cc(F)cc(NC(=O)c2ccc(C3=CCCC3)cc2)c1 1132450142 GOKHGBLWDVHAGJ-UHFFFAOYSA-N 306.340 4.517 30 20 DJED CC(C)(C)C[C@@H](Nc1ncc(C#N)cc1F)c1ccc(F)cc1 1162176697 IXOKVNVKMRROIX-MRXNPFEDSA-N 315.367 4.821 30 20 DJED N#Cc1cccc(Br)c1N[C@@H]1CC[C@H]2CCC[C@H]2C1 1162510717 RQKAUAWGNVNGPN-MBNYWOFBSA-N 319.246 4.701 30 20 DJED CC(C)c1ccc(/C=C\CC(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1 1275464342 LSFMIJMQBGSURU-PKVWGGKHSA-N 311.425 4.839 30 20 DJED Cc1ccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)c2ccccc12 1288803926 PWCXGZBPMNCKIW-HNNXBMFYSA-N 314.388 4.511 30 20 DJED C[C@@H](NCc1ccc(Cl)cc1C#N)c1ccc(Cl)c(F)c1 1321395348 WTWPUWDZBWEJAB-SNVBAGLBSA-N 323.198 4.855 30 20 DJED CC[C@H](C)[C@@H](c1ccccc1)c1nnc(-c2cccc(C#N)c2)o1 1322342853 KBYYVWNEOQLHOM-KSSFIOAISA-N 317.392 4.786 30 20 DJED CC(C)CN(C(=O)c1csc(C#N)c1)c1ccccc1Cl 1327296029 XISFCZGXUNWIIZ-UHFFFAOYSA-N 318.829 4.576 30 20 DJED CC(C)c1ccc([C@H](C)CC(=O)Nc2ccc(C#N)cc2)cc1 1349952147 WQTIBESUXUXYMP-OAHLLOKOSA-N 306.409 4.814 30 20 DJED CC[C@@H](CC1CCCC1)C(=O)Nc1cc(C#N)cn1C(C)(C)C 1356481281 HPTFCFGBOCJVLT-INIZCTEOSA-N 315.461 4.660 30 20 DJED CC(C)(Cc1cccc(Cl)c1)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 1525048974 POVOBXPZSRJQRX-GDBMZVCRSA-N 319.832 4.534 30 20 DJED N#Cc1cccc(N(C(=O)c2cccc(C3CC3)c2)C2CCC2)c1 1528693145 KSXDPSJDSAGXSC-UHFFFAOYSA-N 316.404 4.635 30 20 DJED CC[C@@H](C)[C@H](C)NC(=O)c1ccccc1Oc1ccccc1C#N 1530089240 ZLPHXBXSAQBDFN-CABCVRRESA-N 322.408 4.515 30 20 DJED CC[C@H](C)c1ccc(C(=O)N[C@H](C)c2cccc(C#N)c2)cc1 1625935248 QRGVWVAWJHYKFE-LSDHHAIUSA-N 306.409 4.563 30 20 DJED C=C(CNC(=O)N[C@H](c1ccccc1C)C(C)C)c1ccccc1 1631481584 PSHHOUUCAHPHQS-FQEVSTJZSA-N 322.452 4.705 30 20 DJED CC1(c2cccc(Cl)c2)CCN([C@@H](C#N)c2ccccc2)CC1 1642876020 WAUBKRJOFQFBRC-IBGZPJMESA-N 324.855 4.958 30 20 DJED C[C@H](CCC#N)CN1CCC[C@H]1c1ccccc1Br 1659112677 VPTUJPVJSBNSJD-CJNGLKHVSA-N 321.262 4.526 30 20 DJED C=C(CNC(=O)NC[C@H]1CCCC[C@H]1CCC)c1ccccc1 1686699456 WXAFWHPGPYMRCC-RTBURBONSA-N 314.473 4.606 30 20 DJED CC(C)CC[C@H]1CCC(=NNc2ccc(C(=O)O)c(F)c2)C1 1776075524 MRGKYFCOWRKLFH-LBPRGKRZSA-N 306.381 4.528 30 20 DJED CC(C)n1cc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)cn1 58465408 MUAHJPIOPCPKJV-GQCTYLIASA-N 309.196 4.667 30 20 DJED N#Cc1ccc(CNc2ccc3nc(C4CC4)sc3c2)cc1 63890353 WGJNWPDEDLADRZ-UHFFFAOYSA-N 305.406 4.657 30 20 DJED CC1(C)Cc2occc2[C@H](N[C@H](CCC#N)c2ccccc2)C1 90665675 BCNOWEWRQQHDJX-QZTJIDSGSA-N 308.425 4.928 30 20 DJED N#Cc1ccc(CSCc2csc(-c3ccoc3)n2)cc1 108419883 ZILZSJFMFRTZAY-UHFFFAOYSA-N 312.419 4.708 30 20 DJED CC(C)(C#N)C(=O)Nc1cccc(CSC2CCCCC2)c1 116671371 LWESPCYJCRAZAF-UHFFFAOYSA-N 316.470 4.741 30 20 DJED C[C@H](CC1CCCCC1)C(=O)[C@H](C#N)c1nc2ccccc2o1 172086830 VTXLYDADWHUNAT-HIFRSBDPSA-N 310.397 4.611 30 20 DJED O=C(/C=C/c1ccsc1)c1cc(Br)ccc1F 177907933 IDTOGQMXWRTWMC-DAFODLJHSA-N 311.175 4.546 30 20 DJED COc1ccc(C#N)cc1CS[C@@H](C)c1nc2ccccc2o1 183457584 KXUHXOIWHPCOKO-LBPRGKRZSA-N 324.405 4.702 30 20 DJED C=CCSCCNC(=O)Nc1c(C(C)C)cccc1C(C)C 194595780 QNVWDHMAPGCJIL-UHFFFAOYSA-N 320.502 4.974 30 20 DJED C=CCOc1cccc(CNC(C)(C)c2ccc(F)c(F)c2)c1 236697912 KKSSBDHMSKPPTO-UHFFFAOYSA-N 317.379 4.555 30 20 DJED Cc1cccc(C(=O)/C=C\c2csc(-c3ccccn3)n2)c1C 255368533 FTIRIWYGBNMTMO-KTKRTIGZSA-N 320.417 4.718 30 20 DJED C[C@H](Sc1nc2c(cc1C#N)CCCC2)c1ccc(C#N)cc1 303739291 YMTKCOXBDIRCAE-ZDUSSCGKSA-N 319.433 4.557 30 20 DJED C=CCC[C@@H](NC(=O)Nc1c(C)ccnc1C)c1ccccc1 351954718 AJNUXLJFIDPVIC-QGZVFWFLSA-N 309.413 4.527 30 20 DJED N#CCCCN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 361843265 PGRGIXPVGDTITQ-LBPRGKRZSA-N 324.268 4.592 30 20 DJED C=CCC(CC=C)C(=O)N1CCc2c(ccc(Cl)c2Cl)C1 467370947 SGHSAQFIZWNGAI-UHFFFAOYSA-N 324.251 4.647 30 20 DJED Cc1ccc(Cl)c(NC(=O)C[C@@H](CC#N)c2ccccc2)c1 476332454 JZUOIPMHJAOTCB-OAHLLOKOSA-N 312.800 4.675 30 20 DJED C=CCC1(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CCC1 480535508 INIMZBBPNHXVRN-UHFFFAOYSA-N 315.747 4.626 30 20 DJED COc1ccccc1[C@H](CC(C)C)NCc1ccc(C#N)c(C)c1 488152226 QENWQJMKXPKLFQ-FQEVSTJZSA-N 322.452 4.752 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(F)cc1OC(C)(C)C 488952496 JZYPDQUULWDWKX-CQSZACIVSA-N 320.408 4.575 30 20 DJED CCc1c(C)sc(NC(=O)c2cc(Cl)ccc2C)c1C#N 510530639 FBRQVKDELBCRLH-UHFFFAOYSA-N 318.829 4.705 30 20 DJED CCc1ccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)cc1 517492075 KUMPSYIMHPINIS-LJQANCHMSA-N 320.436 4.541 30 20 DJED C=CCOc1cccc(NC(=O)N2CCC[C@@H](C(C)C)CC2)c1 522290980 RIUNKDFDJBTBBP-MRXNPFEDSA-N 316.445 4.541 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N1CCCCC[C@@H]1CC(C)C 530604196 HGXRCIMXWJGSRV-QGZVFWFLSA-N 313.445 4.689 30 20 DJED Cc1cc(N2CCCC[C@@H]2C)ccc1NCc1cccc(C#N)c1 533217920 LBMFZGKTWVCKFW-KRWDZBQOSA-N 319.452 4.858 30 20 DJED CCCN(CCC)C(=O)c1ccccc1Oc1ccccc1C#N 537573063 QLTGZIAHIKDYPV-UHFFFAOYSA-N 322.408 4.613 30 20 DJED Cc1cc2occ(C(=O)N[C@@](C)(C#N)C3CCCCC3)c2cc1C 566848523 JVXFWCIZNBACII-FQEVSTJZSA-N 324.424 4.642 30 20 DJED C=CCC(C)(C)c1noc(C2CCC(C(F)(F)F)CC2)n1 574658035 QDBQEGHTRCARAP-UHFFFAOYSA-N 302.340 4.759 30 20 DJED N#C[C@@H](N[C@H](c1ccc(F)c(Cl)c1)C1CC1)c1ccccc1 595510018 JAMQXJTVZMTXAN-MSOLQXFVSA-N 314.791 4.785 30 20 DJED N#Cc1ccc(F)c(CN2CCC[C@H]2c2ccc(Cl)cc2)c1 603497637 YKWGXBPINGOXOK-SFHVURJKSA-N 314.791 4.688 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1ccc(OCc2ccccc2)cc1C 605036003 YYAGZWJCWVTUCM-MRXNPFEDSA-N 324.424 4.660 30 20 DJED N#C[C@H](Cc1ccccc1)Sc1cccc(Br)c1 609052832 DICZTPCURFKWNP-HNNXBMFYSA-N 318.239 4.676 30 20 DJED C[C@H]1C[C@@H](CC(=O)N(C)c2ccc(C#N)cc2F)CC(C)(C)C1 609217198 ZAWKTLLGMCIDBT-ZFWWWQNUSA-N 316.420 4.513 30 20 DJED C[C@H](NCc1ccc(-c2ccccc2F)o1)c1cccc(C#N)c1 610344653 CVANRWFLINBVDR-AWEZNQCLSA-N 320.367 4.808 30 20 DJED CCC[C@H](CC1CCCC1)C(=O)N[C@H](C)c1cccc(C#N)c1 610360764 FRSFHZJUWMRUOQ-DNVCBOLYSA-N 312.457 4.732 30 20 DJED N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cscc1Cl 611276715 XZRYPSIVIKHJJM-DOTOQJQBSA-N 316.857 4.673 30 20 DJED CC[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1F 618804065 JUWDVNMGUISAHM-MOPGFXCFSA-N 312.363 4.565 30 20 DJED CCCOc1ccc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1 618806190 PXTNRWDWBNTNNF-QVKFZJNVSA-N 320.436 4.685 30 20 DJED CC(C)(C)Sc1ccc(NC(=O)c2cccc(C#N)c2)cc1 726757627 LMKJCSJGRMYMJZ-UHFFFAOYSA-N 310.422 4.701 30 20 DJED CCc1ccc(/C=C\C(=O)c2ccc(OC(F)F)cc2)s1 731155474 HWSIIDVKVCFFPR-KTKRTIGZSA-N 308.349 4.808 30 20 DJED COc1ccc(CNN=C(C)c2cccc(Cl)c2Cl)cc1 734980290 QOTJOGLIDNMIHW-UHFFFAOYSA-N 323.223 4.516 30 20 DJED CCOc1ccc(/C=C2/C(=O)c3ccsc3S[C@H]2C)cc1 742435873 BFHLAUDOELIULZ-KBVGCWLLSA-N 316.447 4.907 30 20 DJED COc1cccc(C(=O)/C=C/c2cccc(-c3ccccn3)c2)c1 747699702 VOUTZUCOBKYIGV-VAWYXSNFSA-N 315.372 4.653 30 20 DJED Cc1ccc(-c2ccc(C(=O)O[C@@H](C#N)C3CC3)c(F)c2)cc1C 747787909 GVPHXLFBDRHZSL-IBGZPJMESA-N 323.367 4.569 30 20 DJED C[C@@H](ON=Cc1cccc(F)c1)c1ncc(-c2ccccc2)o1 748098243 YOBDFTNXEDZAEE-CYBMUJFWSA-N 310.328 4.592 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2ccc3c4c(cccc24)CC3)s1 748998155 LGPLWOQNSZZQTN-LUAWRHEFSA-N 315.397 4.768 30 20 DJED COc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)s2)cc1 761473387 DTPVMPZDIHUNHP-SOFGYWHQSA-N 312.312 4.672 30 20 DJED C[C@H](N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc(OCC#N)cc1 772960725 VBRQLIQTVIEQIY-DSLXNQLJSA-N 312.457 4.598 30 20 DJED C#CCCCCC(=O)N(C)c1ccc(Oc2ccccc2)cc1 773288876 FGOBAWADJYQSPL-UHFFFAOYSA-N 307.393 4.635 30 20 DJED N#Cc1ccc(F)c(CNC2c3ccccc3-c3ccccc32)c1 779411429 FCBRSJQWXCIOMA-UHFFFAOYSA-N 314.363 4.557 30 20 DJED CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1cc(C)on1 790281052 BAWOVRKIIXLTKD-UHFFFAOYSA-N 318.591 4.779 30 20 DJED CC[C@@H](C)CCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 796810669 LFRFLOMDEQODJC-HIFRSBDPSA-N 312.438 4.813 30 20 DJED N#Cc1sc(N2CCC[C@@H]2c2ccc(Cl)cc2)nc1Cl 804342218 GKXABGNWYDRBQJ-LLVKDONJSA-N 324.236 4.663 30 20 DJED C#CCN(Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1 806093552 RARQONRTHCJNTF-UHFFFAOYSA-N 314.388 4.507 30 20 DJED C=CCC(F)(F)C(=O)Nc1ccc(Nc2ccccc2)cc1 814890353 ZYDXFFOWGGFGPV-UHFFFAOYSA-N 302.324 4.580 30 20 DJED N#CC1(CCCCSc2ccc(-c3ccco3)nn2)CCC1 901579713 PSZAUKCKCYVZFF-UHFFFAOYSA-N 313.426 4.693 30 20 DJED CCCCCCCC(=O)N1CCCCC[C@H]1c1ccncc1 915870272 KSKXREKJKJVONN-SFHVURJKSA-N 302.462 4.886 30 20 DJED Cc1ccc(C(=O)/C=C\c2c[nH]nc2-c2ccc(C)cc2)cc1 920063004 PCGIVNSOVRXYFH-QXMHVHEDSA-N 302.377 4.590 30 20 DJED C[C@@H](CC(C)(C)C#N)N[C@H](C)c1ccc(Oc2cccnc2)cc1 926432028 KCCKKJCTBVXSNK-JKSUJKDBSA-N 323.440 4.853 30 20 DJED C=CC1CCN(C(=O)c2nc(-c3ccccc3)oc2C(C)C)CC1 1116026239 CFYJGSFPCWQTBT-UHFFFAOYSA-N 324.424 4.503 30 20 DJED CC[C@H](NCc1cccc(Cl)c1F)c1ccc(C#N)cc1 1116810604 XUPOSRDCBDHKHS-INIZCTEOSA-N 302.780 4.592 30 20 DJED CCc1ccc(NC(=O)[C@@H](CC#N)c2ccccc2)cc1Cl 1128821842 PYSIHIXYPDSVPK-INIZCTEOSA-N 312.800 4.538 30 20 DJED C=C(Cl)CN1Cc2cc(OC)ccc2C[C@@H]1C1CCCCC1 1167669430 YPQNNGFKJDFORB-LJQANCHMSA-N 319.876 4.755 30 20 DJED Cc1ccc(SCCN(C)[C@@H](C)c2cccc(C#N)c2)cc1C 1195368502 UWDGGEYJSBKGFK-KRWDZBQOSA-N 324.493 4.960 30 20 DJED CC(C)[C@@H](Cc1ccccc1)c1nnc(-c2cccc(C#N)c2)o1 1328429339 LTVWJHYCDOMTPA-GOSISDBHSA-N 317.392 4.591 30 20 DJED CC1(C)CCC(CC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 1436853632 YCMWLYZVYNESKR-LJQANCHMSA-N 324.468 4.658 30 20 DJED Cc1ccc(CNc2ccccc2O[C@H](C)C#N)c(Cl)c1 1461385044 VVSGEPCTRWQNBY-CYBMUJFWSA-N 300.789 4.551 30 20 DJED C[C@@H](CCC#N)CN(CCc1ccccc1F)C1CCCC1 1461960145 MIFZCPSEKDPRIC-INIZCTEOSA-N 302.437 4.553 30 20 DJED CCCOc1cccc(COc2c(C)cc(Cl)cc2C#N)c1 1473047286 OXSGVJUXWZMSPV-UHFFFAOYSA-N 315.800 4.888 30 20 DJED CC[C@H]1CN(Cc2cccc(F)c2C#N)CC[C@@H]1c1ccccc1 1560646918 LGUIVHCGDLCRQA-LPHOPBHVSA-N 322.427 4.713 30 20 DJED Cc1nc(N[C@@H](Cc2ccccc2)C(C)C)c(Cl)cc1C#N 1612899303 MKQBZLIHGMYUBW-KRWDZBQOSA-N 313.832 4.594 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1CCc2cc(C(C)(C)C)ccc2C1 1644478703 RSEYLJOFTUZLND-INIZCTEOSA-N 318.464 4.975 30 20 DJED Cc1cc(N[C@@H]2c3ccccc3CC[C@H]2C(C)C)ncc1C#N 1651726330 OMRHIUOLDSIHEI-PXNSSMCTSA-N 305.425 4.633 30 20 DJED CC(C)CC[C@H](Nc1cc(C#N)ncn1)c1ccc(Cl)cc1 1654997916 KDIMVTJQDVWKBW-INIZCTEOSA-N 314.820 4.591 30 20 DJED CCN(CCC(C)(C)C#N)[C@H](Cc1ccc(F)cc1)C(C)C 1657416460 YDKXGSXIABFKRO-GOSISDBHSA-N 304.453 4.655 30 20 DJED Cc1csc([C@H](C#N)C(=O)/C=C/c2ccc(C(C)(C)C)cc2)n1 47358339 MZFPPLSOBGECPQ-OJXHRBAXSA-N 324.449 4.639 30 20 DJED C=CCC[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 154978751 DQQHYLHBZTUAEL-LJQANCHMSA-N 319.408 4.582 30 20 DJED N#C[C@H](NC(=O)CC/C=C/c1ccccc1)c1ccccc1Cl 172353393 IRPIWJIWCSOZSV-MUFCHLESSA-N 324.811 4.514 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2cc(Cl)sc2Cl)s1 176404950 GKNQJKRXBSPUKR-ONEGZZNKSA-N 314.218 4.884 30 20 DJED CC(C)(C#N)CCCSCc1ncc(Cl)cc1Cl 180525330 XIGSRDYBAOIKTB-UHFFFAOYSA-N 303.258 4.952 30 20 DJED COc1ccc(C(=O)/C=C\c2ccccc2OC(C)C)cc1F 206165243 WLBLDFXDFDKFIH-NTMALXAHSA-N 314.356 4.518 30 20 DJED Cc1cn2c(/C=C\C(=O)c3cc4ccccc4o3)c(C)nc2s1 206381868 ZFNASTYDAMECSM-FPLPWBNLSA-N 322.389 4.655 30 20 DJED C[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 246800262 IHCCQXARWUQPSG-RBSFLKMASA-N 316.470 4.846 30 20 DJED CCC[C@H](CC)SCC(=O)Nc1ccccc1SCC#N 279963853 OCNIFKPUYYWMPX-ZDUSSCGKSA-N 322.499 4.553 30 20 DJED CCc1cccc2c(C3CCN([C@@H]4CC[C@H](C#N)C4)CC3)c[nH]c12 293384187 GLYHHBZSQUOZLT-MAUKXSAKSA-N 321.468 4.602 30 20 DJED N#CCC[C@H](NC/C=C\c1ccc(F)cc1F)c1ccccc1 350092084 FKJHDERIYTVMDG-ZXYDQQDNSA-N 312.363 4.613 30 20 DJED C=C[C@@H](CC(=O)N1Cc2cccc(Cl)c2C1)c1ccccc1 376331758 BWKSRPXFZFTBID-AWEZNQCLSA-N 311.812 4.542 30 20 DJED C=CCC[C@@H](NC(=O)[C@@H]1CCCC(F)(F)C1)c1ccccc1 409981910 VCZHIFWTQHDNLK-HZPDHXFCSA-N 307.384 4.636 30 20 DJED C=CCC(C)(C)C(=O)N(C)c1nc2cccc(Cl)c2s1 410774315 YBBFIUMYWOAIRS-UHFFFAOYSA-N 308.834 4.515 30 20 DJED CC(C)CC[C@@H]1CCCN1C(=O)Nc1ccc(C#N)cc1Cl 426130978 MOQSIULFFVCTDH-AWEZNQCLSA-N 319.836 4.644 30 20 DJED C=CCC[C@H](NC(=O)N1CCC[C@H]2CCC[C@@H]21)c1ccccc1 435096572 XHPFVIRMOXDRCA-QYZOEREBSA-N 312.457 4.668 30 20 DJED CC[C@H](NCCc1ccc(SC)cc1)c1ccc(C#N)cc1 436288258 VLCJERZYSPDMOX-IBGZPJMESA-N 310.466 4.564 30 20 DJED C=CC[C@@H](CC)NC(=O)Nc1cccc(CCC(F)(F)F)c1 439437164 YRBPWCFCKPPXTE-CYBMUJFWSA-N 314.351 4.658 30 20 DJED C[C@@H](C#N)Sc1nc2c(Cl)c(Cl)cc(Cl)c2o1 440585989 VGJZVSMDFGTSQF-BYPYZUCNSA-N 307.589 4.792 30 20 DJED COc1cc(N[C@@H](C)c2ccc(C#N)cc2)ccc1C(F)(F)F 448033893 ZFTATIHUXJEMSD-NSHDSACASA-N 320.314 4.759 30 20 DJED CC[C@@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)CCS1 464787079 WQNYNRYAUDFUGZ-LJQANCHMSA-N 322.477 4.553 30 20 DJED C=CC1CCN(C(=O)Nc2ccc(OCCC(C)C)cc2)CC1 467360058 VZJCRIDVISXDHO-UHFFFAOYSA-N 316.445 4.541 30 20 DJED N#Cc1csc(CNC2(Cc3ccc(Cl)cc3)CCC2)c1 491586621 PIRADUZETNPUMN-UHFFFAOYSA-N 316.857 4.528 30 20 DJED C=C[C@H]1CCCCN1C(=O)N[C@@H](C)c1cc2ccccc2s1 494905816 FLFMACRNYNLQGF-ZFWWWQNUSA-N 314.454 4.712 30 20 DJED C=CCOc1ccc(CN[C@@H]2CCCc3cc(F)ccc32)cc1 500244656 RIDGKTUPNWKSAO-HXUWFJFHSA-N 311.400 4.558 30 20 DJED N#Cc1cc(F)c(N[C@H]2CCc3c(Cl)cccc32)c(F)c1 500506847 ZLSPZPMYGIMDFE-HNNXBMFYSA-N 304.727 4.589 30 20 DJED CC[C@@](C)(C#N)C(=O)Nc1ccc(Oc2cccc(C)c2)cc1 504602688 AIXFCCFTSGTSIS-IBGZPJMESA-N 308.381 4.666 30 20 DJED CCC(C#N)(CC)c1nc(-c2ccc(Cl)cc2Cl)no1 528165271 BVJKNAUDCFKEAV-UHFFFAOYSA-N 310.184 4.625 30 20 DJED C[C@H](C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)c1ccc2ccccc2c1 531236966 ITCJAKJWQYOYNH-XFQAVAEZSA-N 320.436 4.532 30 20 DJED C[C@@H](SCCCC1(C#N)CCOCC1)c1ccc(F)cc1 538605441 KDHFGDNELJPXIE-CQSZACIVSA-N 307.434 4.720 30 20 DJED C[C@@H](NCCCCCOC1CCCCC1)c1cccc(C#N)c1 539494770 PAGLRPASMUUNHP-QGZVFWFLSA-N 314.473 4.728 30 20 DJED COc1ccc2oc([C@H](C)NCC(C)(C)CCC#N)c(C)c2c1 554066994 HQTLLTAIOPSCOH-AWEZNQCLSA-N 314.429 4.730 30 20 DJED CC(C)(C#N)c1ccccc1CSCCCC1CCOCC1 565827311 QWHOCJDGOWAFJW-UHFFFAOYSA-N 317.498 4.928 30 20 DJED Cc1cc(S[C@H](C)C(=O)Nc2c(C)cccc2C)ccc1C#N 565891964 LHMIVKJWVNEJOT-OAHLLOKOSA-N 324.449 4.603 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 591479324 UDGIUWPEGINPOR-UHFFFAOYSA-N 306.409 4.688 30 20 DJED Cc1cc(C)c2c(c1)CC[C@H]2N[C@H](CCC#N)c1ccccc1 594499398 DCDMWBBHLSKOQT-WOJBJXKFSA-N 304.437 4.925 30 20 DJED N#C[C@H](Cc1ccccc1)Sc1ccc(Br)cc1 604506842 QUONTNLALOSPDK-HNNXBMFYSA-N 318.239 4.676 30 20 DJED C=CCCCCCN(C)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 606814579 MYSWOSWKKHJWLA-SJORKVTESA-N 305.849 4.648 30 20 DJED C[C@H](CNCc1cccc(C#N)c1)c1c(Cl)cccc1Cl 608789126 WLGXRECKJBCTTN-GFCCVEGCSA-N 319.235 4.758 30 20 DJED CCC(CC)CN(CCC#N)C(=O)C[C@H](C)c1ccccc1C 609701173 HTQKDZNZJUCCON-KRWDZBQOSA-N 314.473 4.667 30 20 DJED C[C@@H](SCc1ccc(-n2cccn2)cc1)c1ccc(C#N)cc1 609825334 RQSBGJYDUVOIBA-OAHLLOKOSA-N 319.433 4.738 30 20 DJED C[C@@H](NCc1cccc(OC2CCCC2)c1)c1cccc(C#N)c1 610345237 YTECYPKRERODBS-MRXNPFEDSA-N 320.436 4.730 30 20 DJED C[C@H](NCc1c(Cl)ccc2cccnc12)c1cccc(C#N)c1 611388289 NANUODDINZUHDV-ZDUSSCGKSA-N 321.811 4.611 30 20 DJED C=CCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(C)C 727787712 JPLUSUFKFXFGEV-QWHCGFSZSA-N 312.240 4.520 30 20 DJED Cc1ccccc1-c1cccc(/C=C\C(=O)c2cn(C)nc2C)c1 729644223 SUEUMZKDZCOURC-QXMHVHEDSA-N 316.404 4.600 30 20 DJED CC(C)Cc1nc(C#N)c(NN=C(C(C)C)C2CCCCC2)o1 733901341 LESVXZJAULXTAC-UHFFFAOYSA-N 316.449 4.749 30 20 DJED CC/C(=C\C(=O)Nc1ccc(CC#N)cc1)c1cccc(Cl)c1 744459158 XJECFYPKZXIMAT-FYWRMAATSA-N 324.811 4.838 30 20 DJED O=C1/C(=C/c2nccc3ccccc23)CCc2cc(F)ccc21 747439509 HFXRDPXJHMMFOW-NTCAYCPXSA-N 303.336 4.586 30 20 DJED O=C(/C=C/c1ccc(Cl)nc1)c1ccc(-c2ccncc2)cc1 749006611 YYDSNDDSLIYFEE-LREOWRDNSA-N 320.779 4.693 30 20 DJED Cc1sc(C(=O)OCCCCC#N)cc1-c1ccc(F)cc1 756288991 ZDTZPXZZVKKICU-UHFFFAOYSA-N 317.385 4.713 30 20 DJED C=CC[C@@H](N[C@H](C)c1sc(C(C)C)nc1C)c1ccncc1 766021546 UMYBDRJAALWFMQ-CZUORRHYSA-N 315.486 4.938 30 20 DJED CCCCC[C@@H]1CCCN1Cc1ccc(O[C@@H](C)C#N)cc1 770352997 YOXGTMLERYLJAG-FUHWJXTLSA-N 300.446 4.522 30 20 DJED C=CCC[C@H](NC(=O)Nc1cccnc1Cl)c1ccccc1 771909383 OCLZEHAOSIKDTN-AWEZNQCLSA-N 315.804 4.564 30 20 DJED C#CCCCCC(=O)Nc1ccc(C)cc1OCc1ccccc1 773271286 ZURYQWBMVGQEES-UHFFFAOYSA-N 321.420 4.706 30 20 DJED C=C[C@H](CC(=O)O[C@@H](C)c1nc2ccccc2o1)c1ccccc1 781810433 BSOXUBUGIZJOKA-LSDHHAIUSA-N 321.376 4.792 30 20 DJED COc1ccc2[nH]cc(C(=O)/C=C/c3cc(Cl)cs3)c2c1 782326311 OMYPUCXKJYFLKJ-HWKANZROSA-N 317.797 4.788 30 20 DJED CCCCCCCC[C@@H](C)CC(=O)N1CCC[C@@H](OC)CC1 783081670 XKXQRQKRDRDUGV-QZTJIDSGSA-N 311.510 4.791 30 20 DJED C[C@H](CNc1ccccc1O[C@H](C)C#N)c1cccc(Cl)c1 783665589 YKFLILYPKMFMTC-ZIAGYGMSSA-N 314.816 4.846 30 20 DJED CC(C)(C#N)CCCOC(=O)C1CCC(c2ccccc2)CC1 783902868 LLJJHRGMMUYEKH-UHFFFAOYSA-N 313.441 4.834 30 20 DJED CCCCCCCC[S@](=O)Cc1ncc(Cl)cc1Cl 790140252 ZUDQJHYTJBQXNV-IBGZPJMESA-N 322.301 4.998 30 20 DJED CC[C@H]1CC[C@H](C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)CC1 797569372 POLBCOCKNXWNPN-MGPQQGTHSA-N 318.486 4.833 30 20 DJED N#CCCCCCC(=O)OCc1ccc(Cl)c(Cl)c1 805696172 XZGXFQBEFAMOPE-UHFFFAOYSA-N 300.185 4.511 30 20 DJED FCCC[C@@H]1CCCC1=NNc1nnc(-c2ccccc2)s1 814947087 AUMNQVKJFLOELP-LBPRGKRZSA-N 318.421 4.523 30 20 DJED C=CCC(C)(C)CNC(=O)c1c(Cl)cccc1C(F)(F)F 891166838 QOGYDBAVEQMCNT-UHFFFAOYSA-N 319.754 4.691 30 20 DJED C=C(C)COC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1 914417539 PGWWXZUSGQVZFS-UHFFFAOYSA-N 315.438 4.595 30 20 DJED O=C(/C=C/c1ccc(OCc2ccncc2)cc1)C1CCCCC1 915988573 WMHQQQPJSNZNAD-DHZHZOJOSA-N 321.420 4.823 30 20 DJED CCc1c(C(C)=NNc2cccc(C(=O)O)c2)oc2ccccc12 916255182 IDTAYTYJWCNMHA-UHFFFAOYSA-N 322.364 4.530 30 20 DJED C=CCN(C(=O)Nc1cc(Cl)ccc1OCCC)C(C)C 916713248 UFBOXXJRXHISFC-UHFFFAOYSA-N 310.825 4.557 30 20 DJED Oc1ccc2ccccc2c1/C=N\CCc1c[nH]c2ccccc12 920942685 BFCPNKJBWDQLMY-HMAPJEAMSA-N 314.388 4.688 30 20 DJED C=C(Br)CN1CCC[C@@H](CCCc2ccccc2)C1 1168276533 UIIBAWMZVMNVAN-QGZVFWFLSA-N 322.290 4.630 30 20 DJED N#CCOc1cc(F)ccc1N[C@H]1CC[C@@H](Cc2ccccc2)C1 1180723743 NYXNABSNAQTBPM-WMZOPIPTSA-N 324.399 4.551 30 20 DJED Cc1cc(C#N)ccc1CN1c2ccccc2CC[C@H]1C(C)C 1193022002 NZALXIKXJLDSPD-FQEVSTJZSA-N 304.437 4.844 30 20 DJED C[C@H]1C[C@@H](CCNC(=O)Nc2sccc2C#N)CC(C)(C)C1 1219354937 WQKRPAZPYOECBH-QWHCGFSZSA-N 319.474 4.594 30 20 DJED N#Cc1nc(Nc2ccc(CC(F)(F)F)cc2)sc1Cl 1306976391 MOXUBSJSTNLUTI-UHFFFAOYSA-N 317.723 4.517 30 20 DJED C=C(Cl)CN(CCC)[C@@H](C)c1ccccc1Br 1307417372 BSQQQUIGHIXSOG-LBPRGKRZSA-N 316.670 4.975 30 20 DJED C[C@H]1C[C@H]1c1ccc(CN(Cc2cccc(F)c2C#N)C2CC2)o1 1308651919 YYDNHARJWBZKDN-SUMWQHHRSA-N 324.399 4.578 30 20 DJED Cc1ccccc1C=NOCc1cnc(-c2ccccc2)s1 1319108880 AJXRRORHXZZZNH-UHFFFAOYSA-N 308.406 4.669 30 20 DJED CC(=NNc1ccc(C)c(Cl)c1)c1cnn(C(C)C)c1C 1324408536 PJULLLXTEUJDBW-UHFFFAOYSA-N 304.825 4.570 30 20 DJED CC[C@H](C#N)[C@@H](OC(=O)[C@@H](C)c1ccsc1)c1cccs1 1345103546 KDIIHUQXYUUPGF-YWPYICTPSA-N 319.451 4.747 30 20 DJED C[C@H](OC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(C#N)cc1 1354919456 QSYBSKPIMYYXAW-WQANXHIZSA-N 311.425 4.769 30 20 DJED CC[C@@H](CC(C)C)C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 1357262896 AZZBIULTQKLCSV-WBVHZDCISA-N 300.446 4.540 30 20 DJED CC[C@@H](OC(=O)c1cc(C#N)ccc1C)c1ccc(F)c(C)c1 1435809341 MMDSWTITPOGSKV-GOSISDBHSA-N 311.356 4.622 30 20 DJED Cc1ccc([C@H]2CCC[C@@H]2OC(=O)c2ccc(C)c(C#N)c2)cc1 1435982797 KBNGBAOJXYFNOF-UXHICEINSA-N 319.404 4.668 30 20 DJED CC(C)(C)C[C@@H](Nc1cncc(C#N)n1)c1ccc(Cl)cc1 1458216661 FEBFJUILSMLCQF-OAHLLOKOSA-N 314.820 4.591 30 20 DJED Cc1cc(Cl)cc(C(=O)Nc2cc3ccccc3cc2C#N)c1 1528748506 ZBBKUYBFZVIEJI-UHFFFAOYSA-N 320.779 4.926 30 20 DJED CCCOc1ccccc1[C@H](CC(C)C)Nc1ncccc1C#N 1612084672 RASUMOPRBCGBTD-SFHVURJKSA-N 323.440 4.941 30 20 DJED CC[C@H]1CN(Cc2ccc(F)c(C#N)c2)CC[C@@H]1c1ccccc1 1615812015 NIJAUQBPPXVRDR-PXNSSMCTSA-N 322.427 4.713 30 20 DJED N#CC1(c2ccccc2)CC(Nc2cccc(C3CCC3)c2)C1 1621361143 WVTFXTFHPGFHRE-UHFFFAOYSA-N 302.421 4.990 30 20 DJED Cc1ccc(C)c(C2CCN(Cc3ccc(C#N)cc3F)CC2)c1 1621554727 GRVGEQHYPIZUFA-UHFFFAOYSA-N 322.427 4.694 30 20 DJED CCCCN(Cc1ccc(F)c(C#N)c1)[C@@H]1CCC[C@@H](C)C1 1645912318 NDPJCEFJKVKLCH-CRAIPNDOSA-N 302.437 4.878 30 20 DJED N#Cc1ccc(F)c(CSc2nc3cccc(F)c3s2)c1 1652170439 DFWQPDUXBREOMG-UHFFFAOYSA-N 318.373 4.738 30 20 DJED CCCN(CCc1cccc(F)c1)CCC1(C#N)CCCCC1 1652479808 DYNRRSABYZJIRL-UHFFFAOYSA-N 316.464 4.944 30 20 DJED N#CCC[C@H](Nc1nc2cccc(F)c2s1)c1ccccc1 1655296458 DXAGTJPIAYFUHG-AWEZNQCLSA-N 311.385 4.892 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)CCCC2 1663911485 COKMUIPCRDYVJA-UHFFFAOYSA-N 318.464 4.849 30 20 DJED CC[C@H](C)c1ccc(/C=C\C(=O)c2ccc(C(=O)O)s2)cc1 1776698598 NFHMYRKRNDTWRN-PWWFUAJNSA-N 314.406 4.856 30 20 DJED C=C(C)CN(CC)C(=S)Nc1ccccc1-c1ccccc1 33720263 VHDXABQYPHNODF-UHFFFAOYSA-N 310.466 4.948 30 20 DJED C=CCN(CCc1ccccc1)Cc1cc(-c2ccccc2)no1 65959629 UNOPPFGPCOFYSN-UHFFFAOYSA-N 318.420 4.572 30 20 DJED N#Cc1ccc(NCc2ccc(Cl)s2)cc1C(F)(F)F 70978653 IOGMXCWAKRQHFR-UHFFFAOYSA-N 316.735 4.904 30 20 DJED CCCCCC(C)(C)/C(O)=N/S(=O)(=O)/C=C/c1ccccc1 84692278 KVKLFUIYJBREIF-WYMLVPIESA-N 323.458 4.550 30 20 DJED CCN(CCC#N)C(=O)Nc1cc(C)ccc1Oc1ccccc1 84879982 PPAGZDFCUMZANS-UHFFFAOYSA-N 323.396 4.555 30 20 DJED C[C@H](Nc1ccc(N2C[C@@H]3CC[C@@H]2C3)cc1)c1cccc(C#N)c1 191711209 JNUSSCVTIKHSKD-LUQKVYGDSA-N 317.436 4.720 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)C/C=C\c2ccc(F)cc2)cc1 255037039 XHWMTYWGKPVUEQ-ARJAWSKDSA-N 322.383 4.669 30 20 DJED COc1cccc2cc([C@H](C)N[C@H](C)c3ccc(C#N)cc3)oc12 266457718 LFNJZCXPYLBAJU-KGLIPLIRSA-N 320.392 4.725 30 20 DJED C=C[C@@H](CC(=O)N1CCc2sccc2[C@H]1C)c1ccccc1 270267070 ZJMRAGFOQNDILX-CABCVRRESA-N 311.450 4.554 30 20 DJED C=C(C)[C@@H](N[C@H](C)c1csc(C)n1)c1ccc(F)c(F)c1 274739117 DYPPBHOMWYTYGO-QLJPJBMISA-N 308.397 4.698 30 20 DJED C=CCC[C@@H](Nc1cccc(NC(=O)C2CC2)c1)c1ccco1 278479546 AMTAQCGTUOFNDQ-QGZVFWFLSA-N 310.397 4.748 30 20 DJED C[C@@H]1C[C@@H]1c1ccc(CN(Cc2ccc(F)cc2C#N)C2CC2)o1 303234424 ZRJMLRCYDQMJQD-YJYMSZOUSA-N 324.399 4.578 30 20 DJED CC(C)[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 318430453 WFXZQHVRLALGQZ-GOSISDBHSA-N 316.807 4.838 30 20 DJED N#Cc1c(Cl)cccc1SCc1nc(C2CCCC2)no1 331862717 CWAXVBVHFMIKCE-UHFFFAOYSA-N 319.817 4.545 30 20 DJED C=CCC[C@@H](N[C@@H](C)c1ccc(OC)c(O)c1)c1ccccc1 353250714 GGPZSOORWXHPLQ-MAUKXSAKSA-N 311.425 4.759 30 20 DJED CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(C#N)cc1Cl 426142942 XFBLKWBRKHBVOG-LRDDRELGSA-N 319.836 4.644 30 20 DJED C=CCCC[C@@H](C)NC(=O)N1CC2(CCC2)[C@H]1c1ccccc1 432369564 WNEXCKVEAMQDRC-SJLPKXTDSA-N 312.457 4.668 30 20 DJED C[C@H](SCc1ccn(-c2ccccc2)n1)c1cccc(C#N)c1 443143980 OQEGMEPSZXQRAY-HNNXBMFYSA-N 319.433 4.738 30 20 DJED N#Cc1ccccc1/C=C/c1nc(-c2cc3ccccc3o2)no1 445647069 DNKNIPRXXXIZFG-MDZDMXLPSA-N 313.316 4.525 30 20 DJED Cc1cc(C(F)(F)F)ccc1CNC1CCC(C)(C#N)CC1 449268730 IZBCIPJRQQZRLM-UHFFFAOYSA-N 310.363 4.576 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1ccccc1Cl 482017462 JTGHIDIEKMKSRX-UHFFFAOYSA-N 306.837 4.940 30 20 DJED C=CC[C@H](C(=O)NCC(C)(C)c1cccs1)c1ccccc1 488855735 MEKFKSWAPGKCPC-INIZCTEOSA-N 313.466 4.502 30 20 DJED C=CCOc1ccc(C(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1 497912487 FOHFAELMOYHODG-FQEVSTJZSA-N 321.420 4.537 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1cccc2cccnc12 500975941 MJNIINSXWBEHQS-UHFFFAOYSA-N 317.392 4.506 30 20 DJED C[C@@H](NC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(C#N)cc1 505331753 AQNNWBTVYWBRBL-CQSZACIVSA-N 321.424 4.738 30 20 DJED CCCc1cc(C(=O)Nc2sc(CC)cc2C#N)sc1C 515713446 JCTRQPUJLYKEMD-UHFFFAOYSA-N 318.467 4.757 30 20 DJED Cc1cnc([C@H](C)Sc2ccc(C#N)c(C(F)(F)F)c2)o1 541077444 RMYNCEGWRKJNSW-VIFPVBQESA-N 312.316 4.727 30 20 DJED C[C@@H](NC1CCSCC1)c1ccc(-c2cccc(C#N)c2)cc1 542992920 RDXKGZKEHMCQAW-OAHLLOKOSA-N 322.477 4.771 30 20 DJED CC(C)Sc1ccc([C@H](C)NC(=O)CCCCCC#N)cc1 588156791 AIJANTAZQQQQLG-HNNXBMFYSA-N 318.486 4.838 30 20 DJED Cc1ncccc1COc1ccc(Oc2ccc(C#N)cc2)cc1 589265735 PBOQHLLHPRGMIF-UHFFFAOYSA-N 316.360 4.633 30 20 DJED C[C@@H]1C[C@H](NC(=O)CCCCCC#N)C[C@@H](c2ccccc2)C1 591098915 BSNYTVXVNORRNF-WDSOQIARSA-N 312.457 4.549 30 20 DJED C=C(C)CN(CC)C(=O)C[C@@H](C)c1ccccc1C(F)(F)F 607455604 YVIUKJLCJPIFSR-CYBMUJFWSA-N 313.363 4.624 30 20 DJED C[C@H]1CCC[C@H](C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 610167937 DVHDUQHMZMQZMV-XQQFMLRXSA-N 316.470 4.509 30 20 DJED CCc1cccc(CC)c1NC(=O)N[C@H](C)c1cccc(C#N)c1 610317449 KLLXSFAVJPQDFX-CQSZACIVSA-N 321.424 4.566 30 20 DJED CC(C)(C)OCCCSCc1ccccc1C(C)(C)C#N 610856658 DKEZYYNZXCVYQI-UHFFFAOYSA-N 305.487 4.926 30 20 DJED CCCCN(C(=O)c1ccc(CC#N)cc1)[C@@H](C)c1ccc(C)o1 611147081 YGUWBYDHFDMXBQ-INIZCTEOSA-N 324.424 4.658 30 20 DJED N#Cc1cccc(NCc2cccc(Cl)c2Br)c1 719450352 GSXZIPQFFCMMLH-UHFFFAOYSA-N 321.605 4.586 30 20 DJED CC(=NNc1ncnc2sccc12)c1ccc(C(C)(C)C)cc1 725817880 QBUWTBBVHUEIBE-UHFFFAOYSA-N 324.453 4.825 30 20 DJED CCC(=NNc1ccc(OC(F)F)cc1)c1ccc(F)cc1 726429812 RLLNLVKRKSXAQN-UHFFFAOYSA-N 308.303 4.653 30 20 DJED N#Cc1cccc(NN=Cc2ccc(Cl)c(C(F)(F)F)c2)c1 727255003 ARLUYOOPYLVVNB-UHFFFAOYSA-N 323.705 4.676 30 20 DJED C[C@@H](NN=C(CC1CCCCC1)c1ncccn1)c1ccccc1 733901722 TZEXEODCTXZMTH-MRXNPFEDSA-N 322.456 4.502 30 20 DJED C=CCCOC(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl 740218265 PZTLDPLNDMTQDP-UHFFFAOYSA-N 313.102 4.745 30 20 DJED N#Cc1cc(NCc2ccc(SC(F)F)cc2)ccc1F 742262241 YRDPMPHMBYXAND-UHFFFAOYSA-N 308.328 4.624 30 20 DJED O=C(/C=C/c1cc2ccccc2o1)c1ccc(-n2cccn2)cc1 750904259 HHBQMPUFWDQQKR-ZHACJKMWSA-N 314.344 4.515 30 20 DJED CC(=NNc1cc(C(F)(F)F)ccc1F)c1ccc(C#N)cc1 753947822 TUXCRCLMTVZCQB-UHFFFAOYSA-N 321.277 4.552 30 20 DJED CCOc1ccccc1C=NOCc1ccc(C(F)F)cc1 763424226 RAJBJRVBGUXSHR-UHFFFAOYSA-N 305.324 4.574 30 20 DJED C#CCC(C)(C)C(=O)Nc1cccc(COC(C)(C)CC)c1C 767104019 XUOZFMZDUSKOMJ-UHFFFAOYSA-N 315.457 4.688 30 20 DJED Cc1nc(CC(C)C)c(C(=O)OCCCCC(C)(C)C#N)s1 768744662 LAHDVKNSCWBDIW-UHFFFAOYSA-N 322.474 4.527 30 20 DJED O=C(/C=C\c1cscc1Cl)c1c(Cl)nc2ccccn12 771860975 UFQYKUUQDCTKGR-PLNGDYQASA-N 323.204 4.599 30 20 DJED COc1ccc(-c2ccncc2)cc1C=NNc1ccc(C)cc1 774309348 FALPNYPWSPDPBH-UHFFFAOYSA-N 317.392 4.512 30 20 DJED C=C(Cl)COc1ccc([C@@H](C)N[C@H]2CCC(F)(F)C2)cc1 777240794 CJJXOTSTXWTVSN-OCCSQVGLSA-N 315.791 4.656 30 20 DJED C#CCCCCCC(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C 780007008 LGHZQELVNWXXQJ-OAHLLOKOSA-N 320.502 4.678 30 20 DJED O=C(/C=C/c1ccnc(Cl)c1Cl)c1ccc(Cl)s1 791434149 IKAATSYGXYHYHT-OWOJBTEDSA-N 318.612 4.999 30 20 DJED CCCc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1 792833476 ZRJLYBQIVXVPDP-SFHVURJKSA-N 306.409 4.665 30 20 DJED CCC1(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)CCCC1 797572301 XHSAMQMNIFENMT-GFCCVEGCSA-N 304.459 4.587 30 20 DJED Cc1nn(C(C)C)cc1/C=C1\CCc2ccc(Cl)cc2C1=O 798370468 NMSNSWHBIJZMMR-RIYZIHGNSA-N 314.816 4.638 30 20 DJED COc1cc(/C=C\C(=O)c2ccc3ccccc3c2)ccc1C#N 799494921 IJZOUUAHGGTKGN-XFFZJAGNSA-N 313.356 4.616 30 20 DJED CC(C)(C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)C1CC1 805859600 SNFJIIUKJIVHJA-NSHDSACASA-N 318.829 4.562 30 20 DJED Clc1ccccc1CON=Cc1ccc(Br)cc1 823366321 DXNYDVHYLQEWNS-UHFFFAOYSA-N 324.605 4.653 30 20 DJED C[C@H]1CCCC(=NNc2ncc(C(F)(F)F)cc2Cl)C1 916286591 LBTCKBHVRRKYBM-QMMMGPOBSA-N 305.731 4.732 30 20 DJED CC/C(=C\c1nnc(-c2ccc(C#N)cc2)o1)c1ccc(C)cc1 1117242853 JGYNXIWFJPZURZ-FOWTUZBSSA-N 315.376 4.867 30 20 DJED COc1cc(/C=C\C(=O)c2c(F)cccc2Cl)ccc1F 1117521942 WTFXOOLBAQUSTK-VURMDHGXSA-N 308.711 4.523 30 20 DJED N#C[C@@H](c1ccccc1)N1CCC(CCc2ccccc2)CC1 1176193662 UCEDRVQHNFWOEB-NRFANRHFSA-N 304.437 4.596 30 20 DJED CCSc1ccc([C@@H](C)Nc2nc(C#N)c(Cl)s2)cc1 1185306556 RQHPDVITWIOHOQ-SECBINFHSA-N 323.874 4.953 30 20 DJED CC(C)N(Cc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 1191881553 IUTGMAHZCRDIKK-UHFFFAOYSA-N 314.816 4.657 30 20 DJED CCC1(CC)CCC(NC(=O)Nc2ccc(CC#N)cc2)CC1 1196580449 VPPICUIYQVKMIF-UHFFFAOYSA-N 313.445 4.623 30 20 DJED CC(C)c1ccc([C@@H](C)CC(=O)Nc2ccc(F)c(C#N)c2)cc1 1264923605 KPCYZAPYHFFZHG-AWEZNQCLSA-N 324.399 4.953 30 20 DJED Cc1nc(N[C@H](C)c2ccc(F)c3ccccc23)ccc1C#N 1307134932 TXTDNKZDWLEQPO-CYBMUJFWSA-N 305.356 4.727 30 20 DJED C[C@@H]1C[C@H](NCc2cccc(F)c2C#N)C[C@@H](c2ccccc2)C1 1308816373 QYWIZTHSSMPRDH-SNRMKQJTSA-N 322.427 4.759 30 20 DJED Cc1ccc([C@H](Nc2ccc(OCC#N)cc2)C2CCCC2)o1 1325357236 QTHLKOLXEQYNGS-LJQANCHMSA-N 310.397 4.834 30 20 DJED N#Cc1cccc(N[C@@H](c2ccc(F)cc2)C2CCCCC2)n1 1472855028 PBENJEGFAWJLFZ-LJQANCHMSA-N 309.388 4.826 30 20 DJED CCCC(CCC)C(=O)N(CCC)Cc1ccc(C#N)cc1 1526381757 QWVSRVCZTWRVGT-UHFFFAOYSA-N 300.446 4.513 30 20 DJED C=C(CNC(=O)CCc1cccc2ccccc12)c1ccccc1 1527981562 QJWUVGRSPPESES-UHFFFAOYSA-N 315.416 4.602 30 20 DJED CC[C@H](C)[C@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 1528625444 GQSQSJJBLLNUCW-GJZGRUSLSA-N 322.408 4.971 30 20 DJED Cc1cc(C(=O)Nc2cc3ccccc3cc2C#N)c(F)cc1F 1528748433 WFYFRXRYLALPCD-UHFFFAOYSA-N 322.314 4.550 30 20 DJED Cc1nc(Nc2cccc(COC3CCCCC3)c2)ccc1C#N 1559086595 GUWIVKHOMIKWPU-UHFFFAOYSA-N 321.424 4.855 30 20 DJED COc1ccc(C)cc1[C@@H](C)Nc1nc(C(C)(C)C)ccc1C#N 1612461866 LOHSROXDJBUINP-CQSZACIVSA-N 323.440 4.741 30 20 DJED Cc1cc(Sc2ncnc3sc(C)c(C)c23)ccc1C#N 1612519130 HVVIBCLRQKEJGI-UHFFFAOYSA-N 311.435 4.639 30 20 DJED CCC[C@H](Cc1ccccc1)Nc1nc(C)c(C#N)cc1Cl 1642214187 AVKXBAJCDYXCRO-MRXNPFEDSA-N 313.832 4.738 30 20 DJED C[C@@]1(c2ccccc2)CCCN(Cc2ccc(F)cc2C#N)CC1 1643057476 VBKOCTJZSFTMLS-OAQYLSRUSA-N 322.427 4.641 30 20 DJED COc1cc(OCc2ccc(C3CCCC3)cc2)ccc1C#N 1643890393 CTMQKAZCZPOZFF-UHFFFAOYSA-N 307.393 4.803 30 20 DJED N#Cc1cccc(CN2CCC[C@H]2CCC2CCCC2)c1F 1644947026 METHTMYXLIMQDT-SFHVURJKSA-N 300.421 4.632 30 20 DJED N#Cc1c(F)cccc1NCC1(c2ccc(F)cc2)CCCC1 1650631649 ADAWVLIUHYZBRW-UHFFFAOYSA-N 312.363 4.760 30 20 DJED Cc1c(Cl)cnc(N[C@@H]2c3ccccc3CC[C@H]2C)c1C#N 1650912464 NAXCFNBSRBNEOO-DIFFPNOSSA-N 311.816 4.651 30 20 DJED Cc1c(Cl)cnc(N2CCCC[C@H]2CCC(C)C)c1C#N 1651641902 YAZIWRMHUWPLPH-AWEZNQCLSA-N 305.853 4.710 30 20 DJED CC(C)(C)c1ccc(-c2ccc(CNCC3(C#N)CC3)o2)cc1 1651670856 UHWUPBXLZVJQGY-UHFFFAOYSA-N 308.425 4.637 30 20 DJED CC(C)C[C@@H](Cc1ccc(Cl)cc1Cl)NC[C@@H](C)C#N 1652169270 HRJURFVQZSVVRV-WFASDCNBSA-N 313.272 4.700 30 20 DJED Cc1cc(OC(C)C)ccc1Nc1snc(Cl)c1C#N 1655000962 QNYKWOUQVWUXNU-UHFFFAOYSA-N 307.806 4.507 30 20 DJED Cc1cc(N[C@H](C)Cc2ccc(Cl)cc2Cl)ncc1C#N 1655074564 HSQLXTVRIQFTGU-LLVKDONJSA-N 320.223 4.612 30 20 DJED CCCc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)s1 1662681260 JYQYVGDNUXUNTN-LJQANCHMSA-N 310.466 4.739 30 20 DJED Cc1ccccc1[C@@H](NC(=O)Nc1cccc(C#N)c1)C(C)(C)C 1666934627 POBSLOGXGZYPBP-GOSISDBHSA-N 321.424 4.776 30 20 DJED CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(/C=C/C(=O)O)o2)cc1 1776120120 WJJDQEIQSGEGMS-DCIPZJNNSA-N 324.376 4.571 30 20 DJED CCCCCCCCCCCN(C)Cc1cccc(C(=O)O)n1 1776784576 JPNNRAQHGNDJPD-UHFFFAOYSA-N 320.477 4.742 30 20 DJED N#Cc1ccsc1NC(=O)CSc1ccc2ccccc2c1 5775936 ATSNVZQTBPCKHU-UHFFFAOYSA-N 324.430 4.504 30 20 DJED CC(C)c1ccc(/C=C/C(=O)c2ccc(OCC#N)cc2)cc1 8321686 MYJRSYKHLPEXFS-LFYBBSHMSA-N 305.377 4.608 30 20 DJED O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 33246189 GGZYMVHGKZNEOY-BAQGIRSFSA-N 322.147 4.798 30 20 DJED Cc1csc([C@H](C#N)C(=O)c2sccc2-c2ccccc2)n1 41521647 KITMPZBGMYQVEZ-CQSZACIVSA-N 324.430 4.670 30 20 DJED N#C[C@@H](C(=O)c1cc2ccccc2s1)c1nc2ccccc2o1 41544096 PPMYYBCDMSDCGS-LBPRGKRZSA-N 318.357 4.533 30 20 DJED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(C)cc1C 56529196 CHJXPGHFDLRJEM-UHFFFAOYSA-N 324.424 4.532 30 20 DJED C[C@@H](NCc1cnc(-c2ccccc2)s1)c1ccc(C#N)cc1 66989451 KOUJWQBJJSKTEU-CQSZACIVSA-N 319.433 4.533 30 20 DJED COc1ccc(C(=O)/C=C\c2cccc3ccccc23)c(F)c1 107903933 IZAZIKOQVMSYOX-XFXZXTDPSA-N 306.336 4.884 30 20 DJED C=CCN(Cc1csc(-c2ccoc2)n1)Cc1cccs1 108356933 YRAYYJNDYIHTMW-UHFFFAOYSA-N 316.451 4.653 30 20 DJED O=C(/C=C\c1csc(-c2ccsc2)n1)c1ccc(F)cc1 141340545 FRZGJQGOOBJGMY-WAYWQWQTSA-N 315.394 4.907 30 20 DJED N#CCC[C@@H](Nc1ccc(C(F)(F)F)cn1)c1ccccc1 164306806 GQVYMEGMCUYNGO-CQSZACIVSA-N 305.303 4.557 30 20 DJED CCOc1ccc(C(=O)/C=C\c2ccc3ncccc3c2)cc1 212924334 LVSJQVSZXPSLAO-SDQBBNPISA-N 303.361 4.530 30 20 DJED CC(C)[C@@H]1CCC[C@H](/N=C(/O)[C@@H]2CCC(=O)c3cccn32)CC1 329864546 SQVWTRQGXHCPPA-VYDXJSESSA-N 316.445 4.567 30 20 DJED Cc1nc(-c2ccc(C)c(N=C(O)CCC3CCCC3)c2)n[nH]1 330090845 XDWLYLHTLFTASF-UHFFFAOYSA-N 312.417 4.647 30 20 DJED C[C@H]1CCC[C@]1(C)C(=O)Nc1ccccc1SC[C@H](C)C#N 410457024 IRFMAQCIOYNFBM-GLJUWKHASA-N 316.470 4.703 30 20 DJED C=CCCC1(C(=O)N(C)c2ccc(-c3nccs3)cc2)CC1 415835913 PLLUCQUKBWRNAB-UHFFFAOYSA-N 312.438 4.519 30 20 DJED C[C@H](C#N)CSc1ccccc1NCCc1ccccc1F 432326596 PVWOFOVDTKDBNL-CQSZACIVSA-N 314.429 4.732 30 20 DJED CC[C@@H](N[C@H](CC)c1ccc(OC)cc1)c1ccc(C#N)cc1 447511240 SNDJNMDLOHBBEG-WOJBJXKFSA-N 308.425 4.759 30 20 DJED C=CC[C@H]1N(C(=O)[C@H](CC)CC(F)(F)F)CCCC1(C)C 451215583 JAHPRPDJEBNEQF-CHWSQXEVSA-N 305.384 4.558 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)C[C@@H](C)c1ccccc1 461680542 FHMNTAPQVHZKFY-OAHLLOKOSA-N 321.424 4.512 30 20 DJED N#Cc1cccc(OCCCSc2cccc3cccnc23)c1 477556496 HRRXLDHGHDGHAN-UHFFFAOYSA-N 320.417 4.668 30 20 DJED C[C@@H](Sc1nc(C(F)(F)F)ccc1C#N)c1ccccc1 488765259 SSXYTUGUJHERTN-SNVBAGLBSA-N 308.328 4.825 30 20 DJED C=C[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1C(F)(F)F 488834495 XKBRPCZHFNFVPX-NSHDSACASA-N 317.738 4.540 30 20 DJED N#Cc1ccc(F)c(CSCc2ccccc2OC(F)F)c1 521556637 ILIWZXITJRSNDC-UHFFFAOYSA-N 323.339 4.732 30 20 DJED CCCCN(C(=O)Nc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 523389070 CIDATWXGKBVDRR-INIZCTEOSA-N 321.424 4.953 30 20 DJED C[C@@H](Nc1ncc(C#N)cc1Cl)c1cccc2ccccc12 524232786 KQKAONNFDVDSJX-GFCCVEGCSA-N 307.784 4.933 30 20 DJED CC(C)(C#N)c1ccccc1CNC1(c2ccc(Cl)cc2)CC1 557539793 RXXNDGXCNMQMMK-UHFFFAOYSA-N 324.855 4.920 30 20 DJED C=CCOCCSc1nnc(-c2ccccc2)c2ccccc12 565706036 PBJYIRIHQQSEBY-UHFFFAOYSA-N 322.433 4.592 30 20 DJED C[C@@H](N[C@H]1CCc2sc(Cl)cc21)c1ccc(C#N)c(F)c1 567403650 NPXNGTSSSVXPTC-OTYXRUKQSA-N 320.820 4.750 30 20 DJED Cc1ccccc1C(N[C@H]1CC[C@H](C#N)C1)c1ccccc1C 572019277 SFBMWNZWAQDNLN-ROUUACIJSA-N 304.437 4.675 30 20 DJED C[C@@H](C#N)C(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1 609921017 FBTUVLUZUWPCPA-NSHDSACASA-N 316.813 4.589 30 20 DJED Cc1ccc2cc([C@@H](C)N[C@H]3CCc4cc(C#N)ccc43)oc2c1 618805349 GQOAWJWGSRNARB-KUHUBIRLSA-N 316.404 4.951 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(OC)c1C 626748793 UKUIOGQXYQUVIA-UHFFFAOYSA-N 324.424 4.614 30 20 DJED C=CC[C@H](CC)NC(=O)[C@H](C)c1c(Cl)cccc1Cl 684938653 FMLLNBWRNYXTDH-MNOVXSKESA-N 300.229 4.568 30 20 DJED Cc1ccc2cccc(N=Cc3cc4ccccc4nc3O)c2n1 727265769 XWLZSFHOMXHLAC-UHFFFAOYSA-N 313.360 4.548 30 20 DJED CCCCCCCC(=O)N1CCC[C@H]1c1ccccc1OC 727806881 IUZOALWSOSPWOW-KRWDZBQOSA-N 303.446 4.719 30 20 DJED C#Cc1cccc(N(CC)C(=S)Nc2ccc(Cl)cc2)c1 728447452 BYJOXZWFBKKCBR-UHFFFAOYSA-N 314.841 4.545 30 20 DJED C#CCOc1ccc(CN[C@@H](C)c2csc3ccccc23)cc1 733327866 DMILWHUXOVIUMW-HNNXBMFYSA-N 321.445 4.764 30 20 DJED CCCCCOc1ccc(/C=C/C(=O)c2cncc(F)c2)cc1 737446076 NNLJDHVSFHGKBR-JXMROGBWSA-N 313.372 4.686 30 20 DJED C#CCOc1cccc(N[C@H](CC)c2ccc(F)cc2F)c1 738424590 LODNGNOHBXCKQZ-GOSISDBHSA-N 301.336 4.540 30 20 DJED Cc1ccc(/C=C/C(=O)c2c(Cl)nc3sccn23)cc1C 741844851 RXNVRKJQYIZUTG-AATRIKPKSA-N 316.813 4.562 30 20 DJED N#Cc1cc(F)ccc1N1CCC(c2cc3ccccc3[nH]2)CC1 742398181 RXDOFAZFHCZEQQ-UHFFFAOYSA-N 319.383 4.563 30 20 DJED Cc1cccc2nc([C@H](C#N)C(=O)C[C@H]3CCCCC3(C)C)[nH]c12 752504064 DZXGBQJQPGVYNL-HUUCEWRRSA-N 323.440 4.654 30 20 DJED C[C@H](C=NNc1c(Cl)cc(Cl)cc1Cl)CCC#N 765991588 CDXWSSDXTFMAKU-QMMMGPOBSA-N 304.608 4.984 30 20 DJED C#CC[C@@H](NC(=O)Nc1c(C)cccc1Cl)c1ccccc1 767998835 BVFQWCBLCZKCSR-MRXNPFEDSA-N 312.800 4.535 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c(Cl)c2)s1 774122178 ZAJJHXLTUQWIOG-GQCTYLIASA-N 307.758 4.514 30 20 DJED Cc1oc2ccccc2c1/C=C/C(=O)c1ccc(C#N)c(F)c1 776729546 VSSVAZADXINDMZ-CMDGGOBGSA-N 305.308 4.648 30 20 DJED C=CC[C@H](C(=O)O[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 777711795 XRCVPVOYUKAEDU-KXBFYZLASA-N 305.377 4.522 30 20 DJED C#CCCCCCC(=O)Nc1ccc(OCCCC)cc1C 779859319 SIBXQTZIRJZPKB-UHFFFAOYSA-N 301.430 4.696 30 20 DJED CCCCCCCC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 786316178 OPOWNYOZSIVDBP-SNVBAGLBSA-N 322.396 4.700 30 20 DJED C[C@]1(C=NNc2ccnc3cc(Cl)ccc23)CCCS1 792883001 CHROHQMRSIEMMN-OAHLLOKOSA-N 305.834 4.572 30 20 DJED CC(=NO[C@H](C)c1cccc(C#N)c1)c1cc2ccccc2o1 794714393 PSGJZLZCYZUVKV-CQSZACIVSA-N 304.349 4.806 30 20 DJED N#Cc1ccc(F)c(CNc2ccnc3c(Cl)cccc23)c1 804511572 ORNXWTSJVFMIMH-UHFFFAOYSA-N 311.747 4.511 30 20 DJED C#Cc1ccc(CNc2ccc(C)c(-c3nc(C)co3)c2)cc1 809601284 WNYDVNYYTLFZOK-UHFFFAOYSA-N 302.377 4.552 30 20 DJED CC(=NNc1nc(-c2ccccc2)cs1)c1ccc(C)nc1C 814769226 KHZPFACWBLZAJB-UHFFFAOYSA-N 322.437 4.658 30 20 DJED Cc1ccc(NC(=S)N(C)[C@H](C)c2cccc(C#N)c2)c(C)c1 819028509 LXNKXBKUCIYMDW-OAHLLOKOSA-N 323.465 4.565 30 20 DJED C=C(Cl)CSCCC(=O)Nc1ccccc1C(F)(F)F 853783065 GBMPAZFLEIZOOM-UHFFFAOYSA-N 323.767 4.520 30 20 DJED Cc1cccc(/C=C/C(=O)c2ccc(Br)s2)c1 916134160 DUKMJBLVKCFSOB-AATRIKPKSA-N 307.212 4.715 30 20 DJED CCN(Cc1cc2ccccc2n1C)[C@H](C)c1ccc(C#N)cc1 1180194906 NYHRNVTYFCBQAT-MRXNPFEDSA-N 317.436 4.633 30 20 DJED C[C@H](CCc1ccsc1)N[C@H]1CCCc2cc(C#N)ccc21 1182433977 MIWKGBNYBKHEFE-KUHUBIRLSA-N 310.466 4.608 30 20 DJED CCC(CC)N(CC)C(=O)Nc1scc(C(C)(C)C)c1C#N 1218513972 LFMXUCCVEZLGTJ-UHFFFAOYSA-N 321.490 4.960 30 20 DJED Cc1cc(C#N)cc(NC(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)c1 1219113334 OKFJSTRRCJGFIV-SJORKVTESA-N 313.445 4.593 30 20 DJED C[C@H]1C[C@H](CCNC(=O)Nc2sccc2C#N)CC(C)(C)C1 1219354939 WQKRPAZPYOECBH-STQMWFEESA-N 319.474 4.594 30 20 DJED CCC[C@H](CC)C(=O)Nc1ccccc1SC[C@@H](C)C#N 1265068840 DGUIZDVGZCFGAT-KBPBESRZSA-N 304.459 4.703 30 20 DJED CC(C)(C)C1CCC(OC(=O)[C@@H](CC#N)c2ccccc2)CC1 1351926808 YONJWOYWKWRITO-ABHNRTSZSA-N 313.441 4.832 30 20 DJED C[C@H](CCCc1ccccc1)C(=O)O[C@H](C)c1ccc(C#N)cc1 1435361129 DCEJTQVRGBSNIA-IAGOWNOFSA-N 321.420 4.821 30 20 DJED CC[C@@H]1CCC[C@H]1C(=O)Nc1cc(C(C)(C)C)sc1C#N 1435745556 DBHWXJBYQGPCCT-VXGBXAGGSA-N 304.459 4.682 30 20 DJED CCC[C@@H](CC(C)C)C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 1515788032 VTFDXHDZJAZNKX-LPHOPBHVSA-N 314.473 4.930 30 20 DJED C[C@@H]1c2c(sc(NC(=O)CCC3CCC3)c2C#N)CC[C@H]1C 1527538612 DRNZZZZMGSWKTP-NEPJUHHUSA-N 316.470 4.824 30 20 DJED CN(Cc1ccc(C#N)cc1Cl)[C@H]1CCC[C@@H]1c1ccccc1 1559899029 SIMDKWQXXNZJMB-QUCCMNQESA-N 324.855 4.980 30 20 DJED C=C(CNCc1cccc(-c2ccccn2)c1)c1ccccc1 1620773341 XZCJAPBDDHMQTD-UHFFFAOYSA-N 300.405 4.552 30 20 DJED Cc1cc(CN2C[C@H](c3ccccc3C)C[C@@H]2C)ccc1C#N 1621165734 JYXYTDHXXGRWFU-FXAWDEMLSA-N 304.437 4.553 30 20 DJED CCc1ccc([C@H]2CCN(Cc3ccc(C#N)cc3Cl)C2)cc1 1645905884 IKZZOHYFKNCLCX-SFHVURJKSA-N 324.855 4.764 30 20 DJED C[C@H](Nc1nccs1)c1ccc(-c2cccc(C#N)c2)cc1 1650959716 AXZXAJYFDLRTQU-ZDUSSCGKSA-N 305.406 4.855 30 20 DJED C[C@H](c1cccc(C#N)c1)N1CCC[C@H](Cc2ccccc2)C1 1653322774 DYGVEPCSLONQED-YLJYHZDGSA-N 304.437 4.574 30 20 DJED N#Cc1cc(F)ccc1CN[C@H]1CCCC[C@@H]1Cc1ccccc1 1653362244 COPPFDXINHRREN-UTKZUKDTSA-N 322.427 4.588 30 20 DJED CC[C@@H](c1ccccc1)N(Cc1cccc(C#N)n1)CC(C)C 1658568927 KKOGQORCTBYNJI-FQEVSTJZSA-N 307.441 4.563 30 20 DJED Cc1nn(Cc2ccccc2)c(C)c1/C=C/C(=O)c1cccs1 7740131 ZGDQQNUFCTWKCN-ZHACJKMWSA-N 322.433 4.506 30 20 DJED C=CCC(CC=C)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 151228177 UPPWYHDISXNWLJ-MRXNPFEDSA-N 322.433 4.755 30 20 DJED CC(C)Oc1ccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 192971299 QNTGDDRQHVUJRO-HOTGVXAUSA-N 308.425 4.757 30 20 DJED CC(C)Oc1ccc(NC2CC(C#N)(c3ccccc3)C2)cc1 236804482 KXGVTJMGKOPYJV-UHFFFAOYSA-N 306.409 4.510 30 20 DJED C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2coc3ccccc23)cc1 255128689 KZHLDTNVGCEUOH-KOTGUFOOSA-N 317.344 4.620 30 20 DJED COc1ccccc1[C@@H]1CCCN1c1ccc(C#N)c(Cl)c1 301556192 SEAUMZORLDVSSO-KRWDZBQOSA-N 312.800 4.562 30 20 DJED CCOc1ccc(OCC)c(N[C@H](C)c2ccc(C#N)cc2)c1 319767350 DLTHRWFBMWSJRN-CQSZACIVSA-N 310.397 4.529 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1cccc(-c2ccoc2)c1 340652205 WTGGOBDCENZXOI-UHFFFAOYSA-N 324.424 4.739 30 20 DJED COc1ccc2c(c1)[C@H](N[C@H](CCC#N)c1ccccc1)CCC2 358349281 HOYDXPGZSMLPEI-NHCUHLMSSA-N 320.436 4.707 30 20 DJED N#Cc1ccc(NC(=O)c2ccc3sccc3c2)c(Cl)c1 386203483 FQYZXFBLRPEBML-UHFFFAOYSA-N 312.781 4.679 30 20 DJED COc1ccccc1-c1ccc([C@@H](C)NCC(C)(C)CC#N)cc1 414159712 BSKLGGNOFGUCJX-MRXNPFEDSA-N 322.452 4.953 30 20 DJED C=CCN(C(=O)CC1(C)CC1)c1nc(-c2ccccc2)cs1 428334596 CIDFYNGCZQGMDR-UHFFFAOYSA-N 312.438 4.519 30 20 DJED C=CCC[C@H](NC(=O)CCCc1cccs1)c1ccccc1 435281093 VIVYYOYLXNOIOK-SFHVURJKSA-N 313.466 4.895 30 20 DJED N#Cc1ccc(CN2CCC[C@H]2c2cccs2)c(Cl)c1 439441119 PBMNDNKUTMJTQB-HNNXBMFYSA-N 302.830 4.610 30 20 DJED CCOc1cc(C)ccc1CN[C@H](CC)c1ccc(C#N)cc1 447579812 LQMNZSWRUXCPME-LJQANCHMSA-N 308.425 4.506 30 20 DJED CC(C)(C)C1CCC(C#N)(NC(=O)c2ccccc2Cl)CC1 470194273 IZRRAHVPKCKYSM-UHFFFAOYSA-N 318.848 4.568 30 20 DJED N#CCCCN[C@H](Cc1ccccc1Cl)c1cccs1 494980702 PFESYGPHSSJHQS-OAHLLOKOSA-N 304.846 4.579 30 20 DJED C=CCCCC(=O)N[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F 499432845 DRNXZLGFHQYMTF-CHWSQXEVSA-N 313.363 4.670 30 20 DJED Cc1c(C#N)cccc1NCc1nc(-c2ccccc2)cs1 500757001 XHVXDTQENZXDAP-UHFFFAOYSA-N 305.406 4.602 30 20 DJED C=CCCOCCCCC(=O)N(c1ccc(Cl)cc1)C(C)C 537299351 YOMODBHFLHZEGO-UHFFFAOYSA-N 323.864 4.844 30 20 DJED C=CCC[C@H](CC)Nc1cccc2c1CN(c1ccccn1)C2 537489123 GZLDLXGYMIYGLE-KRWDZBQOSA-N 307.441 4.759 30 20 DJED CC(C)Cc1ccc([C@@H](NCCCSCC#N)C2CC2)cc1 540590235 XSJHTOZDMDQVRC-LJQANCHMSA-N 316.514 4.573 30 20 DJED Cc1ccccc1COc1ccc([C@@H](C)NCCCC#N)cc1 542499974 HIQIOQAUUUZVPH-QGZVFWFLSA-N 308.425 4.528 30 20 DJED CCc1ccc(-c2ccc(CNc3cc(CC#N)ccn3)o2)cc1 547340889 NSAAMYHLHKNWSY-UHFFFAOYSA-N 317.392 4.582 30 20 DJED COc1cccc(C2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)c1 547751020 GMMQMCMCLUUXMK-INIZCTEOSA-N 320.436 4.507 30 20 DJED CCOc1ccc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cc1 557518166 VIEVFRJGXFLGAB-BTYIYWSLSA-N 320.436 4.685 30 20 DJED CSc1ccccc1[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 579769798 DEEDYDOXSJNLNH-SCLBCKFNSA-N 308.450 4.618 30 20 DJED C[C@H](SCc1cccnc1C(F)(F)F)c1ccc(C#N)cc1 600621707 PNDZAGPIRYXHJJ-NSHDSACASA-N 322.355 4.966 30 20 DJED C=CCCCS[C@H](C)C(=O)Nc1c(CC)cccc1CC 609804930 WRDPIHFCVNXXPR-CQSZACIVSA-N 305.487 4.838 30 20 DJED c1ccc([C@H]2CCCCC2=NNc2ncnc3sccc23)cc1 725818782 AOZRNSRZKNLHNH-CQSZACIVSA-N 322.437 4.817 30 20 DJED CC1(C)Cc2cc(/C=C\C(=O)c3c[nH]c4ccccc34)ccc2O1 729150569 OUVOWXJYYDFJFQ-CLFYSBASSA-N 317.388 4.778 30 20 DJED C=CCOC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1 730075784 YMHJCGSBVPQGRW-MRXNPFEDSA-N 320.360 4.527 30 20 DJED CC(C)(C)CCCC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730418173 RQUZJHBNDTZQTD-LBPRGKRZSA-N 318.417 4.828 30 20 DJED Cc1ccc(C=NOCc2csc(-c3ccc(C)o3)n2)cc1 744180046 IXZYLMYCUQFMEP-UHFFFAOYSA-N 312.394 4.571 30 20 DJED Cn1c(Cl)cnc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1 752891060 YQWHCHPTQSAIAB-VAWYXSNFSA-N 322.795 4.637 30 20 DJED Cn1cc(/C=C/C(=O)c2cccc(F)c2)c(C2CCCCC2)n1 783697273 NWBHVUDRLWVVJZ-ZHACJKMWSA-N 312.388 4.503 30 20 DJED CC[C@H](C)c1ccc(C(=O)N(CCC#N)C(C)(C)CC)cc1 787944160 NSZGHPSPSUZYCN-HNNXBMFYSA-N 300.446 4.745 30 20 DJED O=C(/C=C/c1nccn1-c1ccccc1)c1coc2ccccc12 790225854 WKPTWHMDOHYCKH-ZHACJKMWSA-N 314.344 4.515 30 20 DJED CC(=NNc1cccc(Cl)n1)c1cccc(C(F)(F)F)c1 793164035 QLXKUCBYWNTKSS-UHFFFAOYSA-N 313.710 4.590 30 20 DJED C=CCCCCC[C@H](C)Nc1ccc(N2CCC(O)CC2)cc1 793548214 UJCUKZVJJSNOOP-KRWDZBQOSA-N 316.489 4.585 30 20 DJED COc1ccc2cc(NCc3ccc(C#N)c(C)c3)ccc2c1 796459046 PWOUFRBSXNGYML-UHFFFAOYSA-N 302.377 4.641 30 20 DJED CCOc1c(Cl)cc(/C=C\C(=O)c2ccc(C)o2)cc1OC 797193041 MDJBOUWDAQYAAU-SREVYHEPSA-N 320.772 4.545 30 20 DJED N#CCCCCCC(=O)Oc1ccc(SC(F)(F)F)cc1 806001624 NZIFMWPJBVDODE-UHFFFAOYSA-N 317.332 4.678 30 20 DJED O=C(/C=C/c1cc(F)ncc1F)c1ccc(Cl)c(Cl)c1 806566055 WXCDLTUPKUAUAH-DUXPYHPUSA-N 314.118 4.563 30 20 DJED Cc1cc(/C=C2\Cc3nc(Cl)ccc3C2=O)ccc1Cl 806579244 AIWJKKLJMKJGIG-YRNVUSSQSA-N 304.176 4.519 30 20 DJED CCC(=NNc1nccnc1C1CCC1)c1ccc(Cl)s1 807992898 SCAMYENDGYBLKT-UHFFFAOYSA-N 320.849 4.685 30 20 DJED C=CCC(F)(F)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C 815789396 ARJLIQFDHNGMCO-CQSZACIVSA-N 322.399 4.524 30 20 DJED C#CCCCCCC(=O)NC1(Cc2ccc(Cl)cc2)CCC1 816810450 MQFRLSCZWJPKOW-UHFFFAOYSA-N 317.860 4.505 30 20 DJED COc1ccc(Cl)cc1CON=Cc1ccc(Cl)cc1 836688556 KHJFXVDRKPPSCM-UHFFFAOYSA-N 310.180 4.553 30 20 DJED N#Cc1ccc(CSCCC2SCCS2)c(Cl)c1 853797294 NYKXRRCBDGUOGN-UHFFFAOYSA-N 315.916 4.641 30 20 DJED Cc1ccc(C[S@@](=O)CCCCC2(C#N)CCC2)c(Cl)c1 899408476 ZBKOCRGRADQPOV-NRFANRHFSA-N 323.889 4.761 30 20 DJED CC(C)(C)Sc1ccc(NCc2cc(C#N)ccn2)cc1F 901421124 WTPROBIBHFQFAA-UHFFFAOYSA-N 315.417 4.595 30 20 DJED CC[C@H](N[C@H](c1ccccc1)[C@H]1CCCO1)c1cccc(C#N)c1 902778818 IQCWFXFNQJTZTL-PWRODBHTSA-N 320.436 4.519 30 20 DJED COc1ccc(C(C)=NNc2cccc(C(F)(F)F)c2)cc1 916259754 HVTILYSKIQULKT-UHFFFAOYSA-N 308.303 4.550 30 20 DJED Clc1cc(Cl)c(NN=C/C=C\c2ccco2)nc1Cl 920366568 VWNWUEPAIHOIQM-BFHYJFETSA-N 316.575 4.746 30 20 DJED CCNc1ccc(C#N)cc1NC(=O)C(CC(C)C)CC(C)C 1137526006 RBZPRUJXPMHWCD-UHFFFAOYSA-N 315.461 4.637 30 20 DJED N#Cc1ccc(CSc2nc3cccc(F)c3s2)s1 1166731524 OJQVAKSTCXULAS-UHFFFAOYSA-N 306.412 4.661 30 20 DJED C=C(Br)CN[C@H](C)c1ccc(SC(C)C)cc1 1192557059 LZERPRYKYOGOBM-GFCCVEGCSA-N 314.292 4.746 30 20 DJED C[C@H]1[C@H](C)CCCN1C(=O)Nc1scc(C(C)(C)C)c1C#N 1205528184 FEDCYTPMSXITSL-NEPJUHHUSA-N 319.474 4.570 30 20 DJED CC(C)[C@@H]1C[C@@H](OC(=O)c2ccc(C#N)cc2F)c2ccccc21 1271057983 VZFACEDDYZLZOV-PKOBYXMFSA-N 323.367 4.739 30 20 DJED CCCN(CC1CC1)C(=O)Nc1scc(C(C)(C)C)c1C#N 1310780896 BAUYTVKVBIOHFR-UHFFFAOYSA-N 319.474 4.571 30 20 DJED CC(C)Sc1ccccc1NC(=O)CC#Cc1ccccc1 1319323620 NIWMXHAMVYCTEN-UHFFFAOYSA-N 309.434 4.567 30 20 DJED CC[C@@H](Sc1ccccc1)c1nnc(-c2ccc(C#N)cc2)o1 1322505039 WYXYSAIRYPFRPU-MRXNPFEDSA-N 321.405 4.852 30 20 DJED CC(C)[C@@H](Cc1ccccc1)NCc1ccc(Cl)cc1C#N 1460774609 JDMGGUNHJMGCDK-LJQANCHMSA-N 312.844 4.569 30 20 DJED Cc1ccc(-c2ncc(CNc3cccc(C#N)c3C)s2)cc1 1461540712 PKPXFRSXBUMONF-UHFFFAOYSA-N 319.433 4.911 30 20 DJED Cc1cccc(CC[C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c1 1462359475 WNXDNNYFYFVWGV-HTAPYJJXSA-N 318.464 4.855 30 20 DJED N#Cc1cnnc(Nc2ccc(Oc3ccccc3Cl)cc2)c1 1472645814 GZVIXODTBKIKEJ-UHFFFAOYSA-N 322.755 4.538 30 20 DJED CC[C@H](C)Oc1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)cc1 1516881897 BSMKEGQFCYLGLC-GJZGRUSLSA-N 323.392 4.654 30 20 DJED CCC(C#N)(CC)C(=O)Nc1ccc2nc(C(C)C)sc2c1 1527098838 QDFKFSFEQCXVKJ-UHFFFAOYSA-N 315.442 4.688 30 20 DJED Cc1c(Cl)cnc(N2CCC[C@@H]2/C=C\c2ccccc2)c1C#N 1559292359 NOCFSZOWXIWMBQ-ZBTGYSDGSA-N 323.827 4.597 30 20 DJED CCN(CCc1ccc(C#N)cc1)[C@@H](C)c1cc2ccccc2o1 1559499544 WUUCXMYJKJUJMF-INIZCTEOSA-N 318.420 4.930 30 20 DJED C=C(CNC(=O)N[C@H](C)CCC1CCCCC1)c1ccccc1 1631634924 ZVAWTYNCRTYHRI-QGZVFWFLSA-N 314.473 4.748 30 20 DJED Cc1cc(C#N)nc(NC(C2CCCCC2)C2CCCCC2)n1 1640320168 KJCMJMSUOYDTTF-UHFFFAOYSA-N 312.461 4.598 30 20 DJED CO[C@H](CSc1ccc(Cl)cc1C#N)Cc1ccccc1 1651842144 CURNOEXYMIWIAV-INIZCTEOSA-N 317.841 4.561 30 20 DJED CCCc1c(NCC2CCCCC2)cnn1-c1cccc(C#N)c1 1657815036 SHRDRLVVGYIPDR-UHFFFAOYSA-N 322.456 4.689 30 20 DJED Cc1ccc([C@H](CC(F)(F)F)N[C@H]2CCC[C@H](C#N)C2)cc1 1659340759 BWAVZDXNVMDSNC-BPUTZDHNSA-N 310.363 4.661 30 20 DJED Cc1cc(CN2CCC(c3ccccc3C)CC2)ccc1C#N 1659376571 ZVMKAVWYLWVGHZ-UHFFFAOYSA-N 304.437 4.555 30 20 DJED N#Cc1ccc(CN[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)cc1 1662656835 BKJBNUYDQTURAV-PKOBYXMFSA-N 310.828 4.638 30 20 DJED CC(CCc1ccc(Cl)s1)=NNc1cccc(C(=O)O)c1 1776036837 CFMRQHPPMABWDF-UHFFFAOYSA-N 322.817 4.520 30 20 DJED C=CCOc1ccc(CN[C@@H](C)c2ccccc2Cl)cc1 20015719 FOWAEJHFKRJXQJ-AWEZNQCLSA-N 301.817 4.756 30 20 DJED CC(C)(NCc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 51188627 QOGSEGFNGSOXDO-UHFFFAOYSA-N 319.235 4.890 30 20 DJED CC(=O)c1c(C)cc(C)c(CN[C@@H](C)c2ccc(C#N)cc2)c1C 271619272 CQCAMQRSVBLWQF-INIZCTEOSA-N 320.436 4.537 30 20 DJED N#CCCCOc1cccc(NC2CCC(C(F)F)CC2)c1 282506058 YLOLBTYPVZIVAM-UHFFFAOYSA-N 308.372 4.605 30 20 DJED C=CCN(Cc1ccc(Cl)s1)Cc1ccc(F)cc1C#N 303235406 ZZCHGCYIRFESTM-UHFFFAOYSA-N 320.820 4.600 30 20 DJED Cc1nc2c(/C(O)=N/[C@@H]3CCC[C@@H]3c3ccccc3)cccc2o1 329937440 LNVOSLPIYYDXNE-NVXWUHKLSA-N 320.392 4.777 30 20 DJED N#CCC[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccccc1 339481541 CVLXFFCWVWKHFN-MDNKFWRPSA-N 324.468 4.754 30 20 DJED CC[C@H](C)CCC(=O)N(Cc1ccco1)c1ccccc1C#N 341098216 UKNIEYUNBRIZNI-HNNXBMFYSA-N 310.397 4.511 30 20 DJED C[C@]1(C(=O)Nc2ccc(Cl)cc2CC#N)C[C@@H]1c1ccccc1 415741185 YBXNMTBPZKULLH-APWZRJJASA-N 324.811 4.538 30 20 DJED C[C@H](CC(C)(C)c1c[nH]c2ccccc12)N[C@@H]1CC[C@H](C#N)C1 424330536 QYZSPTZRWYYLRT-OWCLPIDISA-N 309.457 4.506 30 20 DJED C=C[C@@](C)(CC)C(=O)N(C)c1nc2cccc(Cl)c2s1 436392297 SIBBIXULJXBKKG-HNNXBMFYSA-N 308.834 4.515 30 20 DJED C=CCCCC(=O)N(C)c1ccc(C(F)(F)F)cc1Cl 439121680 ZMKLGMPREKWHCZ-UHFFFAOYSA-N 305.727 4.678 30 20 DJED CC1(C#N)CCC(N[C@H](c2ccccc2)c2cccc(F)c2)CC1 449185501 BEYQJGYXMQIUQR-NYLDSWQDSA-N 322.427 4.977 30 20 DJED C=CCC1(C(=O)NCc2ccc(-c3ccncc3)cc2)CCCC1 449915608 OYORALPJRIWARM-UHFFFAOYSA-N 320.436 4.501 30 20 DJED C=CCCN(C)C(=O)c1ccccc1NCCC1=CCCCC1 471355726 CCFVKXXCCNXTIW-UHFFFAOYSA-N 312.457 4.637 30 20 DJED C=CCNC(=O)[C@H](C)Sc1ccc(C2CCCCC2)cc1 515285518 GSWCNDPBLTVNFH-AWEZNQCLSA-N 303.471 4.517 30 20 DJED CCCCOc1ccc(OC)cc1N[C@@H](C#N)C1CCCCC1 522383775 OSWRTZJKFWKFSP-SFHVURJKSA-N 316.445 4.758 30 20 DJED C=CCCCCCN(C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C 533288842 DTTUXNREALCTNM-GOSISDBHSA-N 316.489 4.617 30 20 DJED C[C@H](CC#N)N(C)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 543786954 IJTYAKDBLFPBEI-GFCCVEGCSA-N 322.330 4.699 30 20 DJED C=CCC(C)(C)c1noc(CCCOc2ccccc2Cl)n1 551136028 HXAZTPFLUBUZPP-UHFFFAOYSA-N 320.820 4.588 30 20 DJED N#CCC[C@H](NCc1cccc(OC2CC2)c1F)c1ccccc1 594958313 PJCOISJBJLKSAT-SFHVURJKSA-N 324.399 4.502 30 20 DJED CCCN(CCCCC#N)[C@H](C)c1ccccc1Br 608832494 YJFNZQLERWTEQB-CQSZACIVSA-N 323.278 4.916 30 20 DJED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cc2ccccc2o1 618807632 VHXFFYXHZIJOMW-FZKQIMNGSA-N 302.377 4.643 30 20 DJED COc1ccc2cc(C(=O)/C=C\c3cccnc3Cl)ccc2c1 726363200 IGXYEGMXCRVLTA-CLFYSBASSA-N 323.779 4.793 30 20 DJED COc1cccc(/C=N\[C@H](C)c2csc3ccccc23)c1O 729936139 IOLITZGQZFIIBH-FGHSJCFPSA-N 311.406 4.796 30 20 DJED CC(=NNc1ncc(Cl)cc1Cl)c1sccc1C 733746577 UKGCMCILVANGKN-UHFFFAOYSA-N 300.214 4.594 30 20 DJED CCOc1ccc(Cl)cc1C(=O)/C=C\c1ccc(C#N)cc1 735978236 AAIADIIODHTWGC-CLFYSBASSA-N 311.768 4.506 30 20 DJED CSc1ccc(C(=O)/C=C/c2nccc3ccccc23)cc1F 741846488 GSPHWACIHPQDJM-BQYQJAHWSA-N 323.392 4.992 30 20 DJED C[C@@H]1/C(=C/c2ccsc2)C(=O)c2cccc(Br)c21 742435280 SKURIMMACGAGDJ-JBBGTMGVSA-N 319.223 4.894 30 20 DJED N#C[C@H](C(=O)CCCC1CCCC1)c1ccc2ccccc2n1 744014933 BWYPXKAKGVNSHF-KRWDZBQOSA-N 306.409 4.772 30 20 DJED COc1ccccc1/C=C\C(=O)c1ccc(-c2ccncc2)cc1 745989986 JEKFMTSQPGJEDE-KHPPLWFESA-N 315.372 4.653 30 20 DJED CCCCCCCCC(=O)N(C)C[C@H]1OCCc2ccccc21 750809517 BQJMTXRRBJXEII-LJQANCHMSA-N 317.473 4.509 30 20 DJED CCn1nc(C)c(C(=O)/C=C/c2ccc(-c3ccccc3)o2)c1C 750909455 LROPVKDOSYJKND-ZRDIBKRKSA-N 320.392 4.676 30 20 DJED CC(C)=C(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 751360430 HAKRNKYZFOZSIL-UHFFFAOYSA-N 306.365 4.645 30 20 DJED CCn1nc(/C=C/C(=O)c2cc3ccccc3o2)c2ccccc21 769744321 WURDGKDXGBHNDF-VAWYXSNFSA-N 316.360 4.699 30 20 DJED Clc1cnc(NN=Cc2cscc2Cl)c(Cl)c1 771870898 IHMPIDJEKHUQON-UHFFFAOYSA-N 306.605 4.549 30 20 DJED C#CCCCCC(=O)OCc1nc2ccccc2c2ccccc12 773629067 AMRDOMMJVYTMGO-UHFFFAOYSA-N 317.388 4.625 30 20 DJED C=C[C@](C)(CC)C(=O)OCc1coc(-c2ccc(Cl)cc2)n1 785758920 ZRFWBPGEHWQBCL-QGZVFWFLSA-N 319.788 4.641 30 20 DJED C/C=C(\CC)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 789630409 XDEHKMHMYALIKK-LZWSPWQCSA-N 306.365 4.645 30 20 DJED C=C(C)CN(Cc1ccc(CF)cc1)Cc1cnn(C(C)C)c1 796455558 YIZKELQGSSXEGG-UHFFFAOYSA-N 315.436 4.512 30 20 DJED N#Cc1ccccc1C(=O)/C=C/c1ccc(F)cc1C(F)(F)F 799498600 AVJHTNQBNZPILI-SOFGYWHQSA-N 319.257 4.612 30 20 DJED C=CC[C@@H](C(=O)N1Cc2cccc(Cl)c2C1)c1ccccc1 807716365 AGPPJDFNUOVRSZ-MRXNPFEDSA-N 311.812 4.542 30 20 DJED N#C[C@@H]1CCCN(c2cc(C(F)F)nc3ccc(Cl)cc23)C1 895648143 KKJJVYOKTIAPGK-JTQLQIEISA-N 321.758 4.566 30 20 DJED CCCCc1oc2ccccc2c1/C=C\C(=O)c1cn(C)nc1C 917520658 WGEVJLXPNFHSHG-QXMHVHEDSA-N 322.408 4.713 30 20 DJED C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)CC1(C#N)CCCCC1 1129395463 PTMHTPRKDXILNR-HZPDHXFCSA-N 304.478 4.524 30 20 DJED N#Cc1csc(CN[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)c1 1178971989 NKTPSKUDRUHANV-GDBMZVCRSA-N 316.857 4.699 30 20 DJED CCn1c2ccccc2c2cc(CNCC3(C#N)CCC3)ccc21 1179776560 ZHODDFLBJMMRIY-UHFFFAOYSA-N 317.436 4.598 30 20 DJED CCc1nc2ccc(NCc3ccc(C#N)c(C)c3)cc2s1 1202956687 UZTQCUNWPCQFBA-UHFFFAOYSA-N 307.422 4.651 30 20 DJED CCC[C@H]1CCCC[C@@H]1CNC(=O)CC1(C#N)CCCCC1 1275984707 XQZAZPWNGIXNGZ-DLBZAZTESA-N 304.478 4.573 30 20 DJED CC[C@@H](Cc1ccccc1)N(CC)Cc1cccc(F)c1C#N 1308592744 ANFBWFQGMKWKNJ-SFHVURJKSA-N 310.416 4.541 30 20 DJED N#C[C@@H](C(=O)c1ccc(C2CCCCC2)cc1)c1cccc(F)n1 1347121086 AGMZFWIRDCBWAA-QGZVFWFLSA-N 322.383 4.758 30 20 DJED CC[C@H](CC1CCCC1)C(=O)N(C)c1cc(Cl)ccc1C#N 1435414104 NHAXYLUCFDDNNY-CQSZACIVSA-N 318.848 4.781 30 20 DJED CC(C)[C@H](CCc1ccccc1)C(=O)Nc1cc(C#N)ccc1F 1436644959 SFTMMAFLYLIXSJ-KRWDZBQOSA-N 324.399 4.541 30 20 DJED CC[C@@H](CC(F)F)CN(Cc1ccc(C#N)cc1)CC(C)C 1459382154 QSIDWYFXFUHYAV-HNNXBMFYSA-N 308.416 4.698 30 20 DJED CC[C@H](NCc1ccc(C#N)cc1OC(F)F)C1CCCCC1 1459823966 FWDJQLVJIOWDQC-INIZCTEOSA-N 322.399 4.608 30 20 DJED CC[C@H](c1ccccc1)N(CCOc1cccc(C#N)c1)C(C)C 1460490687 MLSBYIYIOAOLHQ-OAQYLSRUSA-N 322.452 4.799 30 20 DJED Cc1nc(N2CCCC[C@@H]2c2ccccc2)c(Cl)cc1C#N 1472750881 QAGJEFQOWOWANC-QGZVFWFLSA-N 311.816 4.647 30 20 DJED C[C@H]1CCCC[C@@H]1CSc1nc2c(cc1C#N)CCCC2 1472972270 ZLCAXXQCDKZXEM-DZGCQCFKSA-N 300.471 4.750 30 20 DJED N#Cc1cc(N[C@@H]2CCC[C@@H]3C[C@@H]32)ccc1Oc1ccccc1 1474464732 SNXZNKNHMINPST-MDASCCDHSA-N 304.393 4.951 30 20 DJED CCC[C@H]1CCC[C@H]1C(=O)N(c1ccc(C#N)cc1)C1CCC1 1533787760 QELMNNNRFGGBML-QFBILLFUSA-N 310.441 4.660 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[C@@H]1CCC 1543963455 XWGZDTZRZUDWLF-JKSUJKDBSA-N 313.445 4.535 30 20 DJED N#Cc1nc(NCc2cccc(Cl)c2Cl)sc1Cl 1559084986 SQYNBIAXYHYWFQ-UHFFFAOYSA-N 318.616 4.587 30 20 DJED C[C@@H](NCCC1(C#N)CCCCC1)c1ccc(Cl)c(F)c1 1559705808 ZRGFVBJKQZCZNI-CYBMUJFWSA-N 308.828 4.994 30 20 DJED Cc1cc(C#N)cc(NC(=O)[C@@H](C)c2ccc3ccccc3c2)c1 1583754862 GVVPTZOITKKBQI-HNNXBMFYSA-N 314.388 4.762 30 20 DJED CC[C@H](c1ccccc1)N(C(=O)c1cccc(C#N)c1)C(C)C 1588017270 QGZRMKFDDACQKA-LJQANCHMSA-N 306.409 4.560 30 20 DJED CC(C)(C)c1ccc(C(C)(C)CNCc2ccc(C#N)cc2)cc1 1620887626 LAFJKXMUNZZFNV-UHFFFAOYSA-N 320.480 4.923 30 20 DJED N#C[C@H]1CC[C@@H](N[C@@H]2CCCC[C@H]2c2ccccc2Cl)C1 1621404852 ZCADLWNZXKBEAA-JSSFPYSZSA-N 302.849 4.648 30 20 DJED CC(C)(C#N)CC(=O)Nc1ccccc1NCC1CCCCC1 1638308472 WGLKXVAJOJLFEP-UHFFFAOYSA-N 313.445 4.557 30 20 DJED CC[C@@H](Cc1ccc(C)cc1)N(CC)Cc1cccc(C#N)c1F 1641865550 HSLLVNSDNJFWBU-FQEVSTJZSA-N 324.443 4.849 30 20 DJED C[C@H](NCc1cccc(C#N)c1F)C1(c2ccccc2)CCCC1 1642751239 PDOIDGSUGOTZIZ-INIZCTEOSA-N 322.427 4.687 30 20 DJED C[C@H]1CCC[C@H](COc2cc(C#N)ccc2Br)C1 1644150951 VUTUYIHKEVPYLQ-AAEUAGOBSA-N 308.219 4.526 30 20 DJED N#Cc1cnccc1Sc1nc(C2CCCCC2)cs1 1652154961 MLDRSLOSLLWXLE-UHFFFAOYSA-N 301.440 4.609 30 20 DJED COc1ccc([C@@H](C)Sc2nc(C#N)c(Cl)s2)cc1 1655036137 PEVVJPYHESIVPR-MRVPVSSYSA-N 310.831 4.530 30 20 DJED Cc1cc(C#N)cc(NC(=O)N(C)[C@H]2CCC[C@H]2C(C)(C)C)c1 1672780614 AHGJNSSYBCAOEQ-SJORKVTESA-N 313.445 4.545 30 20 DJED CC(C)(C)CC(=NNc1ccc(CC(=O)O)cc1)c1ccccc1 1776083951 JQELANODGPMZSC-UHFFFAOYSA-N 324.424 4.566 30 20 DJED C=CC[C@@]1(C(=O)O)CCCN([C@H](C)c2ccc3ccccc3c2)C1 1776154161 XCKIUNRYEQDKQH-IIBYNOLFSA-N 323.436 4.644 30 20 DJED CN(Cc1cc(C#N)ccc1F)Cc1ccc(Cl)cc1Cl 11222782 QYWCZSDJGCCDKD-UHFFFAOYSA-N 323.198 4.636 30 20 DJED CCOc1ccc(/C=C/C(=O)c2cc3cccc(OC)c3o2)cc1 83201487 UHJBRFZFHSVBNF-FMIVXFBMSA-N 322.360 4.736 30 20 DJED CN(C(=O)c1cc(-c2ccccc2)ccc1Cl)C1(C#N)CCC1 110660843 NSQHUJURSRSFHP-UHFFFAOYSA-N 324.811 4.525 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccccc1C(F)(F)F 121840192 SASYDKQTCLPVFI-OLZOCXBDSA-N 318.342 4.989 30 20 DJED C=CC1CCN(C(=O)Nc2ccccc2SC(C)C)CC1 135392933 KVONJXGEDJVCPV-UHFFFAOYSA-N 304.459 4.617 30 20 DJED CCCCC[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2o1)C(C)C 176733499 VSOYKDWPOMQKCH-HUUCEWRRSA-N 312.413 4.857 30 20 DJED C[C@@H](Nc1cccc(CN2CCCCC2)c1)c1ccc(C#N)cc1 179753224 HHBCNJVRDLJXKJ-QGZVFWFLSA-N 319.452 4.717 30 20 DJED C#CCCOc1ccc(CN[C@H](C)c2cc(C)sc2C)cc1 237512666 ZMRHYNJIYGGARR-OAHLLOKOSA-N 313.466 4.618 30 20 DJED CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccccc1SC[C@H](C)C#N 248506144 XIFGYYUTTQNZKF-LBTNJELSSA-N 316.470 4.559 30 20 DJED Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1ccc(C#N)s1 255375770 QNPHAQASYOCOOJ-FPLPWBNLSA-N 316.451 4.578 30 20 DJED CCc1ccc(C(C)=NNc2nc3ccccc3s2)s1 263625872 NLULGFZTWTWNGX-UHFFFAOYSA-N 301.440 4.756 30 20 DJED CC[C@H](N[C@H]1CCSc2ccccc21)c1ccc(C#N)cc1 278255859 MZXPFPRIMGNNGF-ROUUACIJSA-N 308.450 4.836 30 20 DJED N#C[C@@H]1CC[C@H](Sc2nnc(-c3cccc4ccccc34)o2)C1 278485470 AKEQSZLLAOMGFO-OCCSQVGLSA-N 321.405 4.674 30 20 DJED C[C@H](Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(C#N)cc1 314700481 AIRNGLSFTHOIBQ-JTQLQIEISA-N 308.278 4.889 30 20 DJED CC(C)(C)c1cnc(CC/C(O)=N/CC2C(C)(C)C2(C)C)o1 328749942 QZQWRMLIAQYJNF-UHFFFAOYSA-N 306.450 4.543 30 20 DJED Cc1ccc(/C(O)=N/C2(C(=N)O)CCC(C)(C)CC2)c(Cl)c1 331209049 QDXMCHZZWZHPLM-UHFFFAOYSA-N 322.836 4.827 30 20 DJED CC[C@@H](CC(=O)N(C)[C@H](C)c1cccc(C#N)c1)c1ccccc1 425123085 DGDKXDTVIDGJAM-AEFFLSMTSA-N 320.436 4.662 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2ccccc2Cl)CCCC1(C)C 436096871 GKVOIYDKCOKFSX-HNNXBMFYSA-N 306.837 4.939 30 20 DJED Cc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)c(F)c1Cl 448099744 VEFPBQUGADAOFS-UHFFFAOYSA-N 322.792 4.590 30 20 DJED Cc1cccc(C(C)C)c1NC(=O)[C@H](C)c1cccc(C#N)c1 463069243 JAPSVCJINQGEDP-OAHLLOKOSA-N 306.409 4.732 30 20 DJED CC(C)CN(C(=O)CCCC#N)[C@H](C)c1ccccc1Cl 464629311 QZINRJLXBJISEU-CQSZACIVSA-N 306.837 4.579 30 20 DJED C=CCCCCN[C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 471599970 XXGFQBBTWBCLIP-INIZCTEOSA-N 317.477 4.567 30 20 DJED C=CCN(CC=C)C(=O)c1ccc(O[C@H](C)c2ccccc2)cc1 472642579 MFUDEGBHLMCWSE-QGZVFWFLSA-N 321.420 4.641 30 20 DJED CCC[C@@H]1[C@H](C)CCCN1C(=O)C[C@@H](CC#N)c1ccccc1 476191599 MKUDHFMXNBMFTI-BHIYHBOVSA-N 312.457 4.501 30 20 DJED Cc1cc(CN[C@@H](C)c2ccc(F)cc2Cl)ccc1C#N 488130037 RURLCZDGMJEEFB-LBPRGKRZSA-N 302.780 4.510 30 20 DJED C=CCN(C)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 491086255 UCLHYDXCJIMJDZ-UHFFFAOYSA-N 319.326 4.630 30 20 DJED CCN(Cc1ccnc2ccccc12)[C@@H](C)c1ccc(C#N)cc1 535081504 ZZKWUODTLGNSNX-INIZCTEOSA-N 315.420 4.690 30 20 DJED C=C[C@H](CC(=O)NC1(c2ccccc2)CCC1)c1ccccc1 535333396 QELJWGHVXXJKHA-QGZVFWFLSA-N 305.421 4.542 30 20 DJED C=CCC[C@@H](Nc1cccc(OCc2cscn2)c1)C1CC1 537527868 HZDGREPISQVAAF-GOSISDBHSA-N 314.454 4.879 30 20 DJED COc1ccc(C#N)cc1CN[C@@H](c1cccc(C)c1)C(C)(C)C 538235299 KUSGLGHLRWYVQM-FQEVSTJZSA-N 322.452 4.752 30 20 DJED C[C@@H](CCC(C)(C)C)C(=O)Nc1cccc(OCCCC#N)c1 542540214 PNJZNQJFMFQIIA-HNNXBMFYSA-N 316.445 4.770 30 20 DJED C[C@H](NCCC(C)(C)C#N)c1cccc(OCc2ccccc2)c1 558116280 IIJCXZSLCINDKQ-KRWDZBQOSA-N 322.452 4.856 30 20 DJED N#Cc1ccc(Oc2nc3c(F)cccc3o2)c2ccccc12 574929474 FTIANPIPMGYEFD-UHFFFAOYSA-N 304.280 4.784 30 20 DJED C=CCC(C)(C)CN[C@H](C)CC(=O)Nc1ccc(C)cc1Cl 575819710 FHJGULSAOXEAFB-CQSZACIVSA-N 322.880 4.557 30 20 DJED CC[C@](C)(C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1C 586778331 RDNSXVCRWFXYMD-LJQANCHMSA-N 308.381 4.666 30 20 DJED Cc1ccc(Oc2ccc(NC(=O)CCCCCC#N)cn2)cc1 588151640 CXCAXVDNRNPFLD-UHFFFAOYSA-N 323.396 4.595 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1ccc(-c2ccccc2)[nH]1 599479243 CHBANGAGCBUDQJ-UHFFFAOYSA-N 322.433 4.572 30 20 DJED CC[C@H](NCc1ccc(C#N)c(Cl)c1)c1cccc(F)c1 619754934 OTOJWSLKLRMWLH-KRWDZBQOSA-N 302.780 4.592 30 20 DJED COc1cccc(NN=C(C)c2cc(Cl)ccc2Cl)c1 725853677 RFNYXZXUZBKRNM-UHFFFAOYSA-N 309.196 4.838 30 20 DJED C#Cc1cccc(N(C)C(=S)Nc2ccc(C(C)C)cc2)c1 728448169 LONVRSJCXHUUNO-UHFFFAOYSA-N 308.450 4.625 30 20 DJED CCc1ccccc1NN=Cc1c(Cl)cccc1OC(F)F 732924822 KZEZYQVVQFODDP-UHFFFAOYSA-N 324.758 4.950 30 20 DJED CCC(=NNc1nccc2sccc12)c1cc(F)ccc1F 743437190 DIJAOPYKQZDKJD-UHFFFAOYSA-N 317.364 4.801 30 20 DJED O=C(/C=C/C1=Cc2ccccc2OC1)c1cc2ccccc2o1 749358948 WQOWAGVEJNHESG-MDZDMXLPSA-N 302.329 4.648 30 20 DJED Cc1cc2cc(/C=C/C(=O)c3cnn(C(C)C)c3)oc2cc1C 749808818 ZSVRMVGNMSKSMV-AATRIKPKSA-N 308.381 4.723 30 20 DJED C=CCN(C(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12)C(C)C 752290412 JQHNJJZNSHLQAN-UHFFFAOYSA-N 322.452 4.766 30 20 DJED C#CC[C@@H](NCc1ccc(OCC(C)C)cc1)c1ccccc1 756995261 FLUFURUQQQDNMK-OAQYLSRUSA-N 307.437 4.576 30 20 DJED CCC1(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)CCCC1 757313157 IVDFOSBKKCRKEO-GFCCVEGCSA-N 316.401 4.582 30 20 DJED CC(C)c1ncc(/C=C2/CCc3cc(F)ccc3C2=O)s1 758433008 FIRAYVCZHPTQCG-WQLSENKSSA-N 301.386 4.618 30 20 DJED COc1ccsc1/C=C/C(=O)c1cc(C)ccc1OC(F)F 764432720 HQMVTFGWDMNFIE-GQCTYLIASA-N 324.348 4.563 30 20 DJED CCc1nc2ccccc2n1N=CC1CCC(C(F)(F)F)CC1 767358521 BFIUJUWCJKYKNF-UHFFFAOYSA-N 323.362 4.801 30 20 DJED O=C(O)c1csc(/C=C\C(=O)c2cc3ccccc3s2)c1 782206213 IRSFQDBZCOAEPQ-WAYWQWQTSA-N 314.387 4.557 30 20 DJED O=C(/C=C/c1scnc1C1CC1)c1cccc(C(F)(F)F)c1 782300143 CPNXNVLHXJXTQY-VOTSOKGWSA-N 323.339 4.935 30 20 DJED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)OCCCC(C)(C)C#N 784952607 AFVNCTNFQANVFY-HZPDHXFCSA-N 313.441 4.849 30 20 DJED CC(=NNc1cccc(C#N)c1)[C@@H]1C[C@H]1c1ccc(Cl)s1 788421011 DGHMPOJQTIURBB-UONOGXRCSA-N 315.829 4.865 30 20 DJED CCCCOc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1 793525653 PICBYJZVVLCVHD-INIZCTEOSA-N 308.425 4.588 30 20 DJED CCSc1cccc(/C=C2\Cc3nc(Cl)ccc3C2=O)c1 806579339 DGDORYHFOQRLRW-XYOKQWHBSA-N 315.825 4.669 30 20 DJED CC(C)c1nc(C(=O)/C=C/c2coc(-c3ccccc3)n2)cs1 812244039 YJAHDDYOKKMSPL-CMDGGOBGSA-N 324.405 4.818 30 20 DJED Cc1cc(C)cc(NC(=S)N(C)[C@H](C)c2cccc(C#N)c2)c1 819028712 OSEOLIUCMBJGNU-OAHLLOKOSA-N 323.465 4.565 30 20 DJED CC[C@H](N[C@@H]1CSCc2ccccc21)c1cccc(C#N)c1 902776718 NQSIENXTTHPJRX-RBUKOAKNSA-N 308.450 4.587 30 20 DJED Fc1ccccc1NN=Cc1cc(Cl)ccc1OC(F)F 915958313 YJRJYEIRMPLZMA-UHFFFAOYSA-N 314.694 4.527 30 20 DJED CC(C)c1ccc([C@H](NCC2(CC#N)CC2)c2cccnc2)cc1 926347527 ZLZNBPJVGUPCNC-FQEVSTJZSA-N 319.452 4.578 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 1128564677 DFYPJAHINNIBSE-PXNSSMCTSA-N 324.468 4.658 30 20 DJED CC(C)CC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1129022465 HNHXWWUGEZRRHM-UHFFFAOYSA-N 310.422 4.694 30 20 DJED Cc1ccc(CNc2ccc(Cl)c(C#N)n2)c2ccccc12 1158502901 VFKXDTADUXTHPF-UHFFFAOYSA-N 307.784 4.680 30 20 DJED CC(C)(C)N(Cc1ccc(F)cc1)Cc1ccc(F)cc1C#N 1192053037 UYLHZVQJZIRBJM-UHFFFAOYSA-N 314.379 4.637 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)CCc1ccc2ccccc2c1 1307860125 NDBVMOPJVYKELO-QGZVFWFLSA-N 314.432 4.947 30 20 DJED O=C1/C(=C\c2ccc(N3CCCC3)cc2)Cc2c(Cl)cccc21 1337903433 YVNCQLVEAZRFDK-QINSGFPZSA-N 323.823 4.763 30 20 DJED CC1(C)CCC(CC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 1351158258 RLWIPBNDQHSVEN-UHFFFAOYSA-N 315.461 4.660 30 20 DJED C[C@H](C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C1CCC1 1360158110 GOGNUVTWTWECRS-AWEZNQCLSA-N 320.392 4.725 30 20 DJED N#CC1(CC(=O)N2CCCCC[C@H]2c2ccccc2)CCCCC1 1434952992 JHERHGDHZJMIPS-IBGZPJMESA-N 324.468 4.994 30 20 DJED Cc1ccc(C(=O)O[C@@H]2C[C@@H](C(C)C)c3ccccc32)cc1C#N 1520101159 KPIHRMSODDEGDZ-VQTJNVASSA-N 319.404 4.908 30 20 DJED CC(C)(C)C1CCC(CNC(=O)Nc2ccc(C#N)cc2)CC1 1622711905 JKFAVJJPAGZKBF-UHFFFAOYSA-N 313.445 4.532 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CCC[C@@H]1C(C)(C)C 1623179672 QVZWJAXUMRBGQB-RDJZCZTQSA-N 313.445 4.545 30 20 DJED Cc1cc(N(C)[C@H](C)C(C)(C)C)n2c(nc3ccccc32)c1C#N 1642175707 LMGWHLAIXUMGEU-CQSZACIVSA-N 320.440 4.538 30 20 DJED C[C@H](CCc1ccc(F)cc1)N[C@@H]1CCCc2cc(C#N)ccc21 1652684681 NPBKVMTUYUAQEV-QVKFZJNVSA-N 322.427 4.686 30 20 DJED C[C@H](CCc1ccccc1)N1CCC(c2ccc(C#N)cc2)CC1 1655732886 IPLNFXOEIAOGNU-GOSISDBHSA-N 318.464 4.759 30 20 DJED CC1(C)C[C@H](c2ccccc2)N(CCc2ccc(C#N)cc2)C1 1659109529 OTROFPNFBFEOND-HXUWFJFHSA-N 304.437 4.574 30 20 DJED C[C@H]1CCCCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1677860944 VGOLWWRVDCAZEZ-LBPRGKRZSA-N 319.474 4.571 30 20 DJED Cc1cc(C)c(Nc2nnc(S[C@H](C)C#N)s2)c(Cl)c1 16328454 UXGIGFZSSHVXRI-SECBINFHSA-N 324.862 4.556 30 20 DJED COc1cc(Cl)c(C)cc1N[C@H](C)c1ccc(C#N)cc1 21502470 RNGWDGDIOZDOMQ-GFCCVEGCSA-N 300.789 4.702 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1ccc(Cl)cc1 24368056 IFLLPJSZPVQKFX-UHFFFAOYSA-N 306.818 4.622 30 20 DJED CC[C@H](C)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 66953494 LYRINRDRDIVZTL-AWEZNQCLSA-N 323.396 4.613 30 20 DJED C=CCN(Cc1ccccc1)C(=O)c1cccc(Cl)c1Cl 71873669 XPBLMDQZDJGKNJ-UHFFFAOYSA-N 320.219 4.822 30 20 DJED CC(C)c1ccc([C@@H](C)NCc2cccc(OCC#N)c2)cc1 124688351 GUPJDZZGSICAGQ-MRXNPFEDSA-N 308.425 4.563 30 20 DJED C[C@H](N[C@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccc(C#N)cc1 154332529 CRRWAEKSYFPPOC-UGSOOPFHSA-N 324.399 4.650 30 20 DJED C=CCC(CC=C)C(=O)Nc1cccnc1-c1csc(C)c1 186895125 ZRIUUFLCLAZFQV-UHFFFAOYSA-N 312.438 4.825 30 20 DJED O=C(/C=C\c1ccccc1C(F)(F)F)c1ccc(F)c(F)c1 212509094 GAMKSZHSPZPIHU-VURMDHGXSA-N 312.237 4.880 30 20 DJED Cc1ccc([C@H](N[C@H](C)c2ccc(OCC#N)cc2)C2CC2)cc1 271874256 NRFNSFRVIFNLIH-IERDGZPVSA-N 320.436 4.699 30 20 DJED Cc1cc(C)c(C[S@@](=O)CCCCC(C)(C)C#N)c(C)c1 277939309 QLKLRFIPDSIGMX-NRFANRHFSA-N 305.487 4.581 30 20 DJED C[C@@H](NC(=O)[C@@]1(C#N)CC12CCCC2)c1cc2ccccc2s1 294605352 MMQISZGUFHBNQX-YJYMSZOUSA-N 324.449 4.553 30 20 DJED C[C@@H]1CCC[C@](C#N)(/N=C(/O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 330158501 ZUNGQEXYPGQIIA-QHSOUUPTSA-N 322.861 4.934 30 20 DJED C=CCOc1cccc(CN(C)[C@@H](C)c2sc(C)nc2C)c1 353635058 XZSZLUTXRPOFNU-AWEZNQCLSA-N 316.470 4.518 30 20 DJED C=CC[C@H]1N(C(=O)Nc2ccc(C)cc2C)CCCC1(C)C 436110934 YAIITTCDOUIGPT-QGZVFWFLSA-N 300.446 4.902 30 20 DJED CC(C)(C#N)CCCCN1CC[C@@H](Oc2cccc(Cl)c2)C1 444665155 PIQPQZBPVFWFTA-QGZVFWFLSA-N 320.864 4.513 30 20 DJED CCS[C@@H]1CCC[C@H](N[C@H](CC)c2ccc(C#N)cc2)C1 447584121 DXEMOXCLGBVICG-RCCFBDPRSA-N 302.487 4.663 30 20 DJED N#C[C@@H]1CCC[C@@H](Nc2ccc(SCc3ccccc3)cn2)C1 463238836 TYVOFJVQRBRGAP-IAGOWNOFSA-N 323.465 4.868 30 20 DJED CC(C)(C)CCCC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 464951343 JMTMHFFYNOIDLU-ZWKOTPCHSA-N 312.457 4.501 30 20 DJED C=CCCC1(C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)CC1 474291550 LAOGCNVGSYBRAG-UHFFFAOYSA-N 323.436 4.553 30 20 DJED Cc1c([C@@H](C)NCc2ccc(CC#N)cc2)oc2ccccc12 484363375 VDJJEPRCMOGOLK-OAHLLOKOSA-N 304.393 4.658 30 20 DJED C[C@H](Nc1cccc(Cl)c1C#N)c1ccc(OC(F)F)cc1 492576330 AYUYROBVLODKKU-JTQLQIEISA-N 322.742 4.986 30 20 DJED Cc1ccc(-c2nc(CNc3ccc(C#N)cc3)cs2)cc1 511204663 KLKHHTLMWDYGKP-UHFFFAOYSA-N 305.406 4.602 30 20 DJED C=CCCC(=O)N[C@@H](c1ccc(CCC)cc1)c1cccs1 523228205 MSKBHKUPDBLLSU-IBGZPJMESA-N 313.466 4.872 30 20 DJED CCC(CC)n1ccc(CN(CC)[C@H](C)c2ccc(C#N)cc2)n1 533321576 FLBVKYODSWQIHK-MRXNPFEDSA-N 324.472 4.699 30 20 DJED CCC(C)(C)OCc1cccc(NCc2ccc(C#N)o2)c1C 535835984 YZPPIKNOWIGPHD-UHFFFAOYSA-N 312.413 4.777 30 20 DJED C=CCCC[C@H](C)NC(=O)N1CCc2sccc2[C@@H]1CC 538367014 VVRDDPXUCIOAKH-ZFWWWQNUSA-N 306.475 4.512 30 20 DJED C=CCCO[C@H](C)c1nc(-c2ccc(O[C@H](C)CC)cc2)no1 547159005 AXFAEZXTWBZKFY-ZIAGYGMSSA-N 316.401 4.568 30 20 DJED N#Cc1c(F)cccc1SCc1ncc(-c2ccccc2)o1 565870969 UCNMDHINJSKHFM-UHFFFAOYSA-N 310.353 4.645 30 20 DJED CC(C)[C@H](NCc1ccc(C#N)s1)c1cc2ccccc2o1 579746620 MSZRXZAQTJBFLJ-SFHVURJKSA-N 310.422 4.853 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cccc2[nH]ccc12 579776674 ZFGVVALTEUIFKR-UHFFFAOYSA-N 322.456 4.524 30 20 DJED CCc1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1Cl 588030457 MHRYCXGIEJHGBT-UHFFFAOYSA-N 319.191 4.680 30 20 DJED C[C@@H]1C[C@@H]1[C@@H](NC(=O)CCCCCC#N)c1ccc(Cl)cc1 588621470 LBXJANGEONLOMX-SKDZVZGDSA-N 318.848 4.627 30 20 DJED Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c(C)c1 592973383 FEPYEHBSNZAHJZ-AWEZNQCLSA-N 324.380 4.542 30 20 DJED CC[C@](C)(C#N)NC(=O)CCCCc1ccc(C(C)(C)C)cc1 608879275 HGPLKJDIVUZOLX-HXUWFJFHSA-N 314.473 4.505 30 20 DJED C=CCCCS[C@@H](C)C(=O)N[C@H](C)c1ccc(CC)cc1 609804921 WJSASXMOSDSKIM-CABCVRRESA-N 305.487 4.514 30 20 DJED Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCCc2cc(C#N)ccc21 611392411 QIBNWBLCXZCFDG-RTWAWAEBSA-N 302.421 4.521 30 20 DJED N#Cc1ccc2c(c1)CC[C@@H]2Nc1ncc(-c2ccccc2)s1 618693606 KOXSSIRVGTWSHI-KRWDZBQOSA-N 317.417 4.781 30 20 DJED CN(c1nc(Cl)c(C#N)s1)C1CC(C)(C)CC(C)(C)C1 693746004 MPDBPTYIFHDZSN-UHFFFAOYSA-N 311.882 4.709 30 20 DJED Cc1cc(F)ccc1C(=O)/C=C\c1cccc(OCCCC#N)c1 731320612 XUGTYSPSPKBDSB-YFHOEESVSA-N 323.367 4.713 30 20 DJED COCc1ccc(C=NN[C@@H](C)c2ccc(C(C)C)cc2)cc1 741761475 FBBSHGSOUDZSMW-INIZCTEOSA-N 310.441 4.641 30 20 DJED C[C@@H]1Sc2sccc2C(=O)/C1=C\c1ccc(F)c(F)c1 742436613 MIEYFKFRPYHXCN-OITNDJBGSA-N 308.374 4.787 30 20 DJED CCOc1ccc(/C=C/C(=O)c2ccc(CC)s2)cc1OC 747200771 ITLZVWIZZDUUAU-RMKNXTFCSA-N 316.422 4.614 30 20 DJED CC(C)CCCCCC(=O)N[C@@H](CCC#N)c1ccccc1 749045480 LOIAIRRPSPFHOH-SFHVURJKSA-N 300.446 4.754 30 20 DJED FC(F)(F)c1csc(NN=C2CCC[C@H](C3CC3)C2)n1 755905051 RSFGONSIOVYFKS-VIFPVBQESA-N 303.353 4.530 30 20 DJED C=C[C@H](CC(=O)O[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 759419524 LJRVKQBUHPVFFX-DOTOQJQBSA-N 305.377 4.522 30 20 DJED C[C@H](C#N)Oc1ccccc1NC(=O)C(C)(C)C1CCCCC1 780152927 UPNNYFNOJOYHOY-CQSZACIVSA-N 314.429 4.522 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccsc2Cl)cc1[N+](=O)[O-] 790210149 ZEOHGQGOCKHOKK-SNAWJCMRSA-N 307.758 4.514 30 20 DJED C#Cc1ccc(CNc2ccc3nc(C(F)F)sc3c2)cc1 809712522 POAJOSZFQMXETH-UHFFFAOYSA-N 314.360 4.827 30 20 DJED C=CCCc1ccccc1NC(=O)CCC[C@@H](O)c1ccccc1 854344071 OZHWKVLTVBUDTC-HXUWFJFHSA-N 323.436 4.648 30 20 DJED CCC(CC)c1cc(CN[C@H](CC)c2cccc(C#N)c2)on1 902819696 JYKQYBMMACSARY-GOSISDBHSA-N 311.429 4.691 30 20 DJED CCCOc1c(/C=C2/Cc3ccccc3C2=O)cccc1OCC 916137115 LMVNNXWYGQKVKV-VKAVYKQESA-N 322.404 4.697 30 20 DJED CC[C@H](c1ccccc1)N(C(=O)c1cccc(C#N)c1C)C(C)C 1131575738 KSGBXNYHWPMEDS-HXUWFJFHSA-N 320.436 4.869 30 20 DJED CCN(CCc1ccc(C#N)cc1)Cc1ccc2ccccc2c1 1167170877 FVNRQQDCTSVEBT-UHFFFAOYSA-N 314.432 4.776 30 20 DJED CC[C@H]1Cc2ccccc2CN1Cc1ccc(Cl)cc1C#N 1193117249 LMNWZBDTQFBQQW-IBGZPJMESA-N 310.828 4.549 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1ccc(F)c(Cl)c1 1308428763 NZIYPYGIZDNHFM-UHFFFAOYSA-N 318.779 4.750 30 20 DJED C=C(C)CCC(=O)N1CCc2sccc2[C@H]1c1cccs1 1335545841 KXZRVEIVMQPDJL-KRWDZBQOSA-N 317.479 4.640 30 20 DJED C=CCC[C@H]1CCCN1C(=O)Nc1cc(SC)ccc1C 1347706573 QXDABTDEWQSKBB-AWEZNQCLSA-N 304.459 4.679 30 20 DJED Cc1cc(Cl)c(NC2CC(C#N)(c3ccccc3)C2)cc1C 1474535479 XBJGDTVFAQMTJQ-UHFFFAOYSA-N 310.828 4.993 30 20 DJED CCc1ccc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)cc1CC 1518384895 BIUKIAPMTAASRS-INIZCTEOSA-N 324.449 4.635 30 20 DJED N#CC1(CC(=O)N[C@@H](CC2CCC2)c2ccccc2)CCCCC1 1520429239 BLVJUFJOUXVYIE-IBGZPJMESA-N 324.468 4.898 30 20 DJED CCN(C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1)c1ccc(C#N)cc1 1532303203 VYAPAEKRRXQFAG-NVXWUHKLSA-N 312.457 4.764 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)Nc1ccc(F)cc1C#N 1543436912 KLKNOPKWWJFBDU-CQSZACIVSA-N 302.393 4.632 30 20 DJED CCC[C@H](Nc1cccc(C#N)n1)c1cccc(C(F)(F)F)c1 1559092927 CNXMMUBMKOZMMU-HNNXBMFYSA-N 319.330 4.925 30 20 DJED Cc1cccc(C(Nc2cccc(C#N)n2)c2cccc(C)c2)c1 1559129048 PKRXKIOYUIHYJC-UHFFFAOYSA-N 313.404 4.772 30 20 DJED Cc1nc(NC[C@H]2CCC(C)(C)c3ccccc32)ccc1C#N 1559142053 SQJWJDDIZDCLKY-MRXNPFEDSA-N 305.425 4.529 30 20 DJED Cc1cc(C#N)ccc1CN1CCCCC[C@H]1c1ccccc1 1615363391 OYOAMQHOJLZLQQ-NRFANRHFSA-N 304.437 4.984 30 20 DJED Cc1ccc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(Cl)c1 1615607472 INJNDKQYEOOSLW-ICSRJNTNSA-N 324.855 4.920 30 20 DJED CCN(C(=O)C[C@H](CC#N)c1ccccc1)c1cccc(C)c1F 1624747868 WOIVIENNVOAPBR-KRWDZBQOSA-N 324.399 4.575 30 20 DJED Cc1ccc(C#N)c(NCc2ccc(C3CCCCC3)cc2)n1 1651089893 AXACWWSXKVDXRS-UHFFFAOYSA-N 305.425 4.922 30 20 DJED COc1ccc(C#N)cc1CN(CC(C)C)c1ccc(C)cc1C 1654962144 RODWCRDDQRCJHU-UHFFFAOYSA-N 322.452 4.846 30 20 DJED CC(C)[C@@H]1CN(c2nc(Cl)c(C#N)s2)c2ccccc21 1655440561 IPKMPJBLFVQEDS-NSHDSACASA-N 303.818 4.559 30 20 DJED CC(=O)[C@@](C#N)(CCSc1ccc(C)cc1C)c1ccccc1 1656065312 QICUQAPVHSTUAA-FQEVSTJZSA-N 323.461 4.836 30 20 DJED N#Cc1ccc(CN2Cc3ccccc3C3(CCC3)C2)c(Cl)c1 1658602066 NFVCBNMWMOCPQJ-UHFFFAOYSA-N 322.839 4.649 30 20 DJED CCC[C@H](CC)NC(=O)Nc1scc(C(C)(C)C)c1C#N 1662084496 GUGJJOXGPWAOMB-NSHDSACASA-N 307.463 4.617 30 20 DJED CCCCCCCC(C)=NNc1ccc(C(=O)O)cc1OC 1776049796 GXOUWKOQZNQIGL-UHFFFAOYSA-N 306.406 4.542 30 20 DJED C=Cc1ccc(CN[C@H](CCCCCCC)CC(=O)O)cc1 1776191994 NZCBHDJATFAHOP-GOSISDBHSA-N 303.446 4.623 30 20 DJED CC[C@H](C)c1ccc(C(=O)/C=C\c2ccc(/C=C\C(=O)O)o2)cc1 1776697308 GLXKOYQQLZQRIM-DWQJHICUSA-N 324.376 4.787 30 20 DJED Cc1ccc(N[C@@H](C)c2cccc(C#N)c2)c(Br)c1 37189073 HVFQQLLZAQWOOS-LBPRGKRZSA-N 315.214 4.802 30 20 DJED CC(C)CC[C@@H]1CCCCN1C(=O)Nc1ccc(CC#N)cc1 134544447 RHFKYLIYTOQGFJ-SFHVURJKSA-N 313.445 4.575 30 20 DJED CCc1noc(C)c1CNc1ccccc1S[C@@H](C)CC#N 159450598 AHEIEZSCAZOPCM-LBPRGKRZSA-N 315.442 4.552 30 20 DJED Cc1ccc(Br)c(N[C@@H](C)c2ccc(C#N)cc2)c1 163790485 ZECTYAWYORKHMJ-LBPRGKRZSA-N 315.214 4.802 30 20 DJED CCCCCCCC(=O)Nc1cc(Cl)c(OC)cc1OC 248298339 YXDZFWOPRUKSMG-UHFFFAOYSA-N 313.825 4.656 30 20 DJED CCc1ccc(C=NOCc2ncc(-c3cccs3)o2)cc1 255573916 SBEHEIFJIWUOFQ-UHFFFAOYSA-N 312.394 4.516 30 20 DJED Cc1nc(-c2ccc([C@@H](C)Nc3cccc(C#N)n3)cc2)cs1 339220556 PAUQPZVXTAWZAN-GFCCVEGCSA-N 320.421 4.558 30 20 DJED CCOc1ccc(OCC)c(N[C@@H](C)c2cccc(C#N)c2)c1 390420479 ONHUXLACNBCOTK-AWEZNQCLSA-N 310.397 4.529 30 20 DJED C=CCCCC(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 410394606 CDFHZMHOKZTJDW-UHFFFAOYSA-N 321.726 4.576 30 20 DJED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1CC#N 410970174 QRFKZTUZEZUQHK-DOMZBBRYSA-N 304.821 4.561 30 20 DJED Cc1cc(F)ccc1C(=O)Nc1sc(C(C)(C)C)cc1C#N 411007535 NVDHJKKPXAUAQO-UHFFFAOYSA-N 316.401 4.617 30 20 DJED C=CCC[C@@H](Nc1cncc(Br)c1)c1ccco1 428434203 JTUYYJJSAVLRHW-CYBMUJFWSA-N 307.191 4.557 30 20 DJED C=CCC(C)(C)CNC(=O)Nc1cccc(CC(F)(F)F)c1 432958801 FJMZQCLQGJWPSB-UHFFFAOYSA-N 314.351 4.515 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 436299663 GXFAXILRAJUTQL-QIJZBDPFSA-N 322.374 4.623 30 20 DJED Cc1oc(C(C)C)cc1C(=O)Nc1ccc(CC#N)cc1Cl 452651490 MGLZBRCDDSVYEF-UHFFFAOYSA-N 316.788 4.683 30 20 DJED C=C(C)[C@@H](NCc1cccc2cc[nH]c12)c1ccc(F)c(F)c1 479420186 IHMGBWRDFHFNIG-GOSISDBHSA-N 312.363 4.853 30 20 DJED Cc1cc(CNc2ccc(Cl)c(C#N)n2)c2[nH]c(C)c(C)c2c1 480452515 YMOTZKHTNJQTJD-UHFFFAOYSA-N 324.815 4.625 30 20 DJED C=CCN(C)C(=O)c1cc(Cl)ccc1SC1CCCC1 491078971 QEGXXGMOAVHIIB-UHFFFAOYSA-N 309.862 4.633 30 20 DJED C=CCN(CC=C)C(=O)[C@H](C)S[C@H](C)c1ccccc1Cl 498107611 SBICXSWAUNOJFT-KGLIPLIRSA-N 323.889 4.723 30 20 DJED CC[C@@H](C)CCC(=O)Nc1ccccc1SC[C@@H](C)C#N 511879297 OMFOBTUXPJGKIM-KGLIPLIRSA-N 304.459 4.703 30 20 DJED C=CCn1c(SCC2CCCC2)nnc1-c1ccccc1F 515289191 NWVXMEMBOSEJSP-UHFFFAOYSA-N 317.433 4.553 30 20 DJED C=CCCCCSc1nnc(-c2ccccc2OCC)o1 520338338 OPHSYIRVUDUAQY-UHFFFAOYSA-N 304.415 4.584 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)CCC1CCCC1 520824896 GUGLVWBZCPLLBX-CQSZACIVSA-N 316.470 4.847 30 20 DJED COc1ccccc1-c1ccc(CN(CCCC#N)C(C)C)cc1 525122096 SQLVHPGPKDUQSN-UHFFFAOYSA-N 322.452 4.876 30 20 DJED Cc1ccc(-n2nc(N[C@@H](C)c3ccc(C#N)cc3)cc2C)cc1 527501819 PYZKAMNKMHOQBO-INIZCTEOSA-N 316.408 4.534 30 20 DJED Cc1cccc([C@@H](NCc2ccc(C#N)cc2F)C(C)(C)C)c1 532570117 SXEWOJYZYZMWHI-LJQANCHMSA-N 310.416 4.883 30 20 DJED C=CCN(C(=O)c1cccc(-c2ccoc2)c1)c1ccccc1 534083415 ITQOQRMYLJPWJJ-UHFFFAOYSA-N 303.361 4.779 30 20 DJED C=C(C)COc1cccc(NC(=O)c2cccc(C)c2Cl)c1 535852660 LRHCQHHGKNEVJA-UHFFFAOYSA-N 315.800 4.856 30 20 DJED CCn1c(-c2cccc(-c3cccnc3)c2)nc2cc(C#N)ccc21 536142219 OOOOLOBPVACXER-UHFFFAOYSA-N 324.387 4.657 30 20 DJED C[C@H](N[C@@H](c1cccs1)C1CC1)c1ccc(C#N)c(F)c1 540707670 CBXAXEFDRVYBLV-APPDUMDISA-N 300.402 4.561 30 20 DJED N#Cc1cccc(C2(N[C@H]3CCCc4c(Cl)cccc43)CC2)c1 560265671 PWJXFOONBLTANE-IBGZPJMESA-N 322.839 4.868 30 20 DJED CCN(C(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1Cl 572458373 FVNCUIIAUCPQRB-UHFFFAOYSA-N 319.191 4.532 30 20 DJED N#Cc1cccc(C2(NCc3cc4ccccc4s3)CC2)c1 572905577 XEXWZGYDWWRANQ-UHFFFAOYSA-N 304.418 4.552 30 20 DJED N#C[C@H](N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)c1ccccc1 595510021 JAMQXJTVZMTXAN-ZWKOTPCHSA-N 314.791 4.785 30 20 DJED C=CCN(C(=O)C[C@H](c1ccccc1)C(F)(F)F)C(C)(C)C 622944058 BXISIOJZLQXMRE-CQSZACIVSA-N 313.363 4.536 30 20 DJED C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccsc1 669862353 GXXVRNLFPWIBTI-LBPRGKRZSA-N 303.452 4.517 30 20 DJED C=C[C@H](CC(=O)N1CC(C)(C)[C@H]1c1ccccc1)c1ccccc1 677523272 DWFIRASUBPKPNI-DYESRHJHSA-N 319.448 4.956 30 20 DJED C#Cc1cccc(N(CC)C(=S)Nc2cc(C)ccc2C)c1 728447647 LBSNYULPHZQAEG-UHFFFAOYSA-N 308.450 4.508 30 20 DJED CCCCCC[C@H](CC)C(=O)Nc1cc(C#N)ccc1OC 735008134 SLERKLFFOBEWAY-HNNXBMFYSA-N 302.418 4.502 30 20 DJED CC1(C)CCC(=NNc2ncnc3sc4c(c23)CCC4)CC1 735971152 YZHSDURFJDKVLU-UHFFFAOYSA-N 314.458 4.548 30 20 DJED O=C1/C(=C/c2ccc(Cl)nc2)CSc2c(Cl)cccc21 749005013 HMOUAEVRGOTCID-UXBLZVDNSA-N 322.216 4.760 30 20 DJED C[C@@H]1CCC[C@H](CC(=O)[C@H](C#N)c2ccc3ccccc3n2)C1 750667546 HIWWAXBQSUAKAU-HLLBOEOZSA-N 306.409 4.627 30 20 DJED O=C(/C=C\c1ccc2ccccc2c1)c1cc([N+](=O)[O-])ccc1F 752873355 DBKBACSAZMIGCW-POHAHGRESA-N 321.307 4.783 30 20 DJED CCOc1cccc2cc(C(=O)/C=C\c3ccccc3C#N)oc12 755587865 RWTOHUZQGDCZBJ-KHPPLWFESA-N 317.344 4.599 30 20 DJED O=C1/C(=C\c2csc([N+](=O)[O-])c2)CCc2c(Cl)cccc21 758039902 MPAHGMCCEGGOAY-POHAHGRESA-N 319.769 4.522 30 20 DJED CCc1ccccc1NN=Cc1sccc1Br 764903985 HCBOMVSLDAJHDV-UHFFFAOYSA-N 309.232 4.519 30 20 DJED Cc1cc(/C=C\C(=O)c2cc(F)ccc2F)cc2cccnc12 783702182 SGRVYTCUANXWKB-DAXSKMNVSA-N 309.315 4.718 30 20 DJED Cc1cc(/C=C/C(=O)c2cncs2)ccc1Oc1cccnc1 787172288 VHCVHKGBCAONSP-GQCTYLIASA-N 322.389 4.535 30 20 DJED Fc1cccnc1NN=C1CCCSc2ccc(Cl)cc21 794984698 MMZDPKXELXSOBM-UHFFFAOYSA-N 321.808 4.576 30 20 DJED CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2=CCCCCC2)s1 797572288 XFJVXMKNQXBOJD-ZDUSSCGKSA-N 302.443 4.507 30 20 DJED N#Cc1ccc(SCC2(C#N)CCCC2)cc1C(F)(F)F 806592194 QVUDOYVXMCFRDB-UHFFFAOYSA-N 310.344 4.753 30 20 DJED CCCCCC[C@@H](C)NN=Cc1conc1Cc1ccccc1 814859596 XEDHFPIVTBPFKF-MRXNPFEDSA-N 313.445 4.548 30 20 DJED C=CCCC[C@@H](NCc1ccccc1-c1ccccc1C)C(=O)O 900068429 HYBAQVYYYRQJIN-HXUWFJFHSA-N 323.436 4.561 30 20 DJED C=C1CCN(C(=O)Nc2c(C)cc(C(F)(F)F)cc2C)CC1 932243389 XJURQDHEOOPEOD-UHFFFAOYSA-N 312.335 4.506 30 20 DJED CCC[C@@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)C)C2 1129398865 WFKWUUFLXBJLDC-OLZOCXBDSA-N 318.486 4.755 30 20 DJED C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)Nc1cccc(C#N)n1 1185828210 STRZIPYZQVWMET-VXGBXAGGSA-N 319.330 4.576 30 20 DJED CN(Cc1ccc(C#N)cc1)Cc1ccc(-c2cccs2)cc1 1231432681 QGEXCSYNMDBCAV-UHFFFAOYSA-N 318.445 4.919 30 20 DJED CCCCN(C(=O)c1cccc(C#N)c1C)[C@@H]1CCC[C@@H](C)C1 1274266566 MJIKIAVHBBFXBY-CRAIPNDOSA-N 312.457 4.688 30 20 DJED Cc1c(Cl)cnc(N2CCC[C@@H](C3CCCCC3)C2)c1C#N 1307174012 UUULLDNOXDPUHS-OAHLLOKOSA-N 317.864 4.712 30 20 DJED CSc1ccccc1[C@H](C)N[C@H]1CCc2cc(C#N)ccc21 1344579427 ISJLXVZIENFQTR-UGSOOPFHSA-N 308.450 4.618 30 20 DJED CC[C@H](c1ccccc1)N(C(=O)c1csc(C#N)c1)C(C)C 1348040246 AKRIZTGDAOAMAW-QGZVFWFLSA-N 312.438 4.622 30 20 DJED CC(C)[C@@H](CCc1ccccc1)C(=O)Nc1cc(C#N)ccc1F 1436644960 SFTMMAFLYLIXSJ-QGZVFWFLSA-N 324.399 4.541 30 20 DJED Cc1cccc(-c2cccc(C(=O)N(CCC#N)CC(C)C)c2)c1 1442351804 KCZFKUBXLGGDPJ-UHFFFAOYSA-N 320.436 4.674 30 20 DJED C[C@@H](C1CCCCC1)N(C)c1ccc(C#N)c(Br)c1 1458338587 LCRJGBXVGFNECR-LBPRGKRZSA-N 321.262 4.726 30 20 DJED Cc1ccc(COc2nc(C(C)(C)C)ccc2C#N)c(Cl)c1 1459140900 WVQGSQBUEXCERQ-UHFFFAOYSA-N 314.816 4.792 30 20 DJED C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1CCC(C)(C)C#N 1459626547 KXSZCUKDBBFUGJ-LLVKDONJSA-N 311.256 4.852 30 20 DJED CCN(Cc1ccc(C#N)cc1Cl)[C@H](C)Cc1ccsc1 1459999494 ZMFDLGGEWGXRMM-CYBMUJFWSA-N 318.873 4.726 30 20 DJED CC(C)C[C@@H](C)CSc1nc(C(F)(F)F)ccc1C#N 1473019203 LFDMFZCTFWEFNC-SNVBAGLBSA-N 302.365 4.746 30 20 DJED Cc1cc(C#N)cc(N[C@@H](C)CCc2c[nH]c3ccccc23)c1 1474578456 WKHZSJSZWMVNBH-HNNXBMFYSA-N 303.409 4.781 30 20 DJED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)Nc1cccc(CC#N)c1 1525934002 NXNBCYDAVHHMCO-WBVHZDCISA-N 318.420 4.681 30 20 DJED CCCCc1ccc([C@@H](Nc2cc(C#N)cnn2)C(C)C)cc1 1559055814 DWRLNKYWFZMMOF-IBGZPJMESA-N 308.429 4.500 30 20 DJED Cc1nc(N2C[C@H](C)C[C@@H]2c2ccccc2)c(Cl)cc1C#N 1651830163 NCPNCBAADHGNSL-SJKOYZFVSA-N 311.816 4.503 30 20 DJED CCC[C@@H]1CCc2ccccc2N1Cc1ccc(C#N)cc1C 1652813129 YEQLPMVDTJDAQV-HXUWFJFHSA-N 304.437 4.988 30 20 DJED CCCCN(Cc1ccc(C#N)cc1OC)[C@H]1CCC[C@H](C)C1 1654582765 NXHRIFBVNGUIEG-LPHOPBHVSA-N 314.473 4.748 30 20 DJED C[C@@H](CC1CCCCC1)Nc1nc(C(F)(F)F)ccc1C#N 1655445820 XBYIAEDFTLUYJN-NSHDSACASA-N 311.351 4.743 30 20 DJED C[C@H](C#N)CN(CCCc1c(Cl)cccc1Cl)C1CC1 1659045405 LAGDUMMCCXLYQA-GFCCVEGCSA-N 311.256 4.550 30 20 DJED C[C@H](CCC#N)CN1CC=C(c2ccccc2C(F)(F)F)CC1 1663800137 TZFRUWAPOYZWMA-CQSZACIVSA-N 322.374 4.734 30 20 DJED CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1 514044 IOHUXXOQNGAZOR-UHFFFAOYSA-N 324.449 4.658 30 20 DJED CC[C@@H](Nc1ccc(OCC#N)cc1)c1cccc(Cl)c1 20559008 YBOGDOSIKVFUFC-QGZVFWFLSA-N 300.789 4.806 30 20 DJED Cc1c(C(=O)Nc2ccc(C(C)(C)C#N)cc2)oc2ccccc12 25437561 LQSOVJOWKIIHJV-UHFFFAOYSA-N 318.376 4.795 30 20 DJED N#CCOc1cccc(NCc2cccc(Cl)c2Cl)c1 37069463 NHDHBSVRVQAMLJ-UHFFFAOYSA-N 307.180 4.508 30 20 DJED C[C@H]1C/C(=C/c2c(Cl)nc(Cl)n2C)C(=O)c2ccccc21 131151081 KFZXFCOLTWVKKS-CUQRQBARSA-N 321.207 4.500 30 20 DJED Cc1ccc(-c2nc(/C=C/C(=O)c3cncc(F)c3)cs2)cc1 150950292 JTMPKKUWFITHKU-VOTSOKGWSA-N 324.380 4.549 30 20 DJED N#Cc1csc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1 175705785 XILLSWWCURMPOH-UHFFFAOYSA-N 319.389 4.616 30 20 DJED C=CCCCN(CCC)Cc1nnc(-c2ccccc2Cl)o1 177211244 QGHGEHPDCBLWGW-UHFFFAOYSA-N 319.836 4.568 30 20 DJED COc1ccc([C@H](C)[C@@H](C)Nc2ccccc2O[C@@H](C)C#N)cc1 180204845 CVDDAWUYRFEIQH-ARFHVFGLSA-N 324.424 4.590 30 20 DJED CC[C@@H](C)[C@H](C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 180344547 PSHOQEQLADRQOY-RDBSUJKOSA-N 304.459 4.702 30 20 DJED CC[C@@H](C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 193335969 BFWQLKMPLPGLNJ-OXJNMPFZSA-N 320.436 4.662 30 20 DJED N#Cc1c(F)cccc1Nc1ccc2c(c1)nc1n2CCCCC1 215620388 ZSTXMWHHZURVLM-UHFFFAOYSA-N 320.371 4.517 30 20 DJED CC(C)CCOc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1 236583122 MRKFCTYKLNFPAZ-QGZVFWFLSA-N 322.452 4.834 30 20 DJED C#CCCOc1ccc(CNCc2ccc3ccccc3c2)cc1 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COc1cccc(/C=C/C(=O)c2oc3ccc(OC)cc3c2C)c1 729151501 SLTRLTGUQYUOAX-VQHVLOKHSA-N 322.360 4.655 30 20 DJED C/C(=C\C(=O)N(CCC#N)CC(C)(C)C)c1ccccc1Cl 729448319 KGUZGGXQEUNXMX-WYMLVPIESA-N 318.848 4.532 30 20 DJED C=CCCOC(=O)[C@H](Sc1ccccc1F)c1ccccc1 730075719 WOHXVNCTPIXGDW-QGZVFWFLSA-N 316.397 4.778 30 20 DJED C=CC[C@@H](C)NC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 735065306 BLJYVAIKPUQICA-OPCAMPFDSA-N 315.413 4.509 30 20 DJED CCC(C)(C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746718550 PAJAYRALYHASLL-SFHVURJKSA-N 321.424 4.652 30 20 DJED CCCCCCCCCCC(=O)N1CCCC[C@@H]1c1ncc[nH]1 751412581 ZSYPEDACUSNKSB-QGZVFWFLSA-N 319.493 4.994 30 20 DJED CC(=NNc1ncnc2ccsc12)c1cc2ccc(C)cc2o1 754964974 TZXUNUPDEKFTHX-UHFFFAOYSA-N 322.393 4.582 30 20 DJED Fc1ccc(C=NNc2cc(Cl)ccn2)c(Cl)c1Cl 761833735 HEIYQRUQHPCUGX-UHFFFAOYSA-N 318.566 4.627 30 20 DJED O=C(/C=C/c1cccc(F)c1)c1cc(Br)ccc1F 763120902 BJGGEZLBTJGLJN-QPJJXVBHSA-N 323.136 4.623 30 20 DJED CCCCCCCS(=O)(=O)[C@H](CC)c1ccc(F)cc1 764746608 ZJYBGSLIECXRLB-MRXNPFEDSA-N 300.439 4.662 30 20 DJED Cc1ccc([C@H]2CCCN2Cc2ccc(O[C@@H](C)C#N)cc2)cc1 768235884 AOIZQYBZVNGKBY-LAUBAEHRSA-N 320.436 4.623 30 20 DJED C#CC[C@H](N[C@@H](C)c1cc(F)c(F)c(F)c1)c1ccccc1 773116009 PAJBJJZAVCFULU-SJCJKPOMSA-N 303.327 4.519 30 20 DJED N#Cc1cccc(COc2ccc(NCc3ccsc3)cc2)c1 779594349 HTFIMSXKZSDQMR-UHFFFAOYSA-N 320.417 4.811 30 20 DJED CCCCCCCCCNC(=O)c1cccnc1C(F)(F)F 788583328 ROMGADARUCILQJ-UHFFFAOYSA-N 316.367 4.581 30 20 DJED CC(C)Cc1cccc(C(=O)/C=C\c2cccc(OCC#N)c2)c1 794723131 DWBVZMDELPIDGE-KTKRTIGZSA-N 319.404 4.684 30 20 DJED CC(=NNc1ccccc1)c1sc(-c2ccccc2)nc1C 814684109 DTLHDEJFBKTBEF-UHFFFAOYSA-N 307.422 4.955 30 20 DJED CC(C)=CCC[C@@H](C)CC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 842676925 QOHIHTIVTWYKPY-CABCVRRESA-N 309.413 4.512 30 20 DJED Clc1cc(Cl)c(NN=Cc2cscn2)c(Cl)c1 918708933 RMYUXSBUTCZCET-UHFFFAOYSA-N 306.605 4.549 30 20 DJED Cc1nn(C)c(C)c1C(=O)/C=C\c1ccc(-c2ccccc2)cc1 920832753 WQSZXCQWGNKGJC-KAMYIIQDSA-N 316.404 4.600 30 20 DJED N#CCCCCN[C@H](Cc1ccccc1Cl)c1ccco1 924943749 XCMGFSQXPWTSTE-MRXNPFEDSA-N 302.805 4.500 30 20 DJED CC[C@H](C#N)C(=O)Nc1ccc(Sc2ccccc2)cc1C 1136374505 DBLKHFMBOQSSGX-CQSZACIVSA-N 310.422 4.635 30 20 DJED Cc1cc(CN2C[C@@H](C)C[C@@H]2c2cccc(F)c2)ccc1C#N 1204307144 KLXOJQMGTFRKFM-VBKZILBWSA-N 308.400 4.589 30 20 DJED Cc1ccc(SCc2cc(Cl)ccc2OCC#N)s1 1307358456 JLWNZFKMSLLLLL-UHFFFAOYSA-N 309.843 4.905 30 20 DJED COC[C@H](S[C@@H](C#N)CCc1ccccc1)c1ccccc1 1307405091 LBYZGABNIRRKAT-MOPGFXCFSA-N 311.450 4.632 30 20 DJED CCOc1ccc(C#N)cc1N[C@H]1CC[C@@](C)(c2ccccc2)C1 1308677603 PRXYHWBPHNLOAJ-GHTZIAJQSA-N 320.436 4.879 30 20 DJED COc1cccc2cc(CNc3ccc(Cl)cc3C#N)oc12 1338590719 GRYVIANKUQZXGB-UHFFFAOYSA-N 312.756 4.579 30 20 DJED N#Cc1cc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)ccc1Cl 1351843380 NOOUMPZSYSXLGN-VBNZEHGJSA-N 316.832 4.757 30 20 DJED Cc1sc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c(C#N)c1C 1353587218 QSWAILLIMSLTMB-RRFJBIMHSA-N 316.470 4.782 30 20 DJED CC[C@@H](C)CC(=O)OCc1ccccc1Oc1ccccc1C#N 1436239555 SGEAJQHJHHCCOD-OAHLLOKOSA-N 323.392 4.830 30 20 DJED CC(C)(C)c1ccc(C#N)c(OCc2sccc2Cl)n1 1459139103 JJPCBRAHZZBSRA-UHFFFAOYSA-N 306.818 4.545 30 20 DJED CCCC[C@H]1CCC[C@H]1Nc1nc(C(F)(F)F)ccc1C#N 1472685656 XCERTDMYAXEMGN-WCQYABFASA-N 311.351 4.743 30 20 DJED CCC(C)(C)c1ccc(NC(=O)c2ccc(C#N)cc2F)cc1 1525389427 JQESCVFMMIGMFI-UHFFFAOYSA-N 310.372 4.637 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1cccc(C(C)C)c1 1543034446 FVBBMXHJPMICSI-UHFFFAOYSA-N 300.446 4.602 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)Nc1ccc(C#N)cc1 1622712190 VQKMHFZPPFXACE-DOTOQJQBSA-N 313.445 4.532 30 20 DJED N#Cc1cccc(NCC2(c3ccc(Cl)cc3)CCCC2)n1 1650670839 WBABKMQRSMHHIP-UHFFFAOYSA-N 311.816 4.531 30 20 DJED N#Cc1nc(N2CCC[C@H]2CC2CCCCC2)sc1Cl 1650697610 VGDSENYDBNFXTF-LBPRGKRZSA-N 309.866 4.607 30 20 DJED Cc1cc(C)c2nc(NCc3ccc(C#N)cc3F)sc2c1 1650729150 AVQFQPBZUOAJNY-UHFFFAOYSA-N 311.385 4.536 30 20 DJED Cc1cc(C#N)cc(N[C@H](C)Cc2ccc(F)cc2Cl)c1 1659444089 KFFNVIAFUDXHGB-GFCCVEGCSA-N 302.780 4.702 30 20 DJED CCCC(CCc1ccccc1)=NNc1ccc(CC(=O)O)cc1 1776084242 CPXWMQKPRKGMKU-UHFFFAOYSA-N 324.424 4.515 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)CC1CCCC1 66800794 JBHRDQANCXHDIA-ZDUSSCGKSA-N 302.443 4.600 30 20 DJED C=CCC(CC=C)C(=O)N1CC=C(c2ccccc2Cl)CC1 92030060 NNMJEUCEZYGWGY-UHFFFAOYSA-N 315.844 4.724 30 20 DJED CCCCCCCC(=O)Nc1cccc(NC(=O)C(C)C)c1 100287204 ZASAYBNYNUNDNE-UHFFFAOYSA-N 304.434 4.580 30 20 DJED C=CC[C@@H](C)NC(=O)c1ccccc1SCc1cccs1 116859950 JBNZIDNFQAZDFY-CYBMUJFWSA-N 317.479 4.735 30 20 DJED C/C=C(\C=C\C(=O)Nc1ccccc1SC[C@H](C)C#N)CC 120343134 LUQXIEXWGWVPGY-JNJHRVDDSA-N 314.454 4.789 30 20 DJED Cc1ccsc1C(=O)Nc1sc2c(c1C#N)CCCCC2 122768483 LHKODSHMSQDQSY-UHFFFAOYSA-N 316.451 4.511 30 20 DJED CCCC[C@H](CC)COc1ccc(Br)cc1C#N 128108934 MFLQLUCCQOYZLJ-LBPRGKRZSA-N 310.235 4.916 30 20 DJED C=CCC(CC=C)C(=O)NC(c1cccs1)c1cccs1 150772232 ABFQETVXWMDNJU-UHFFFAOYSA-N 317.479 4.784 30 20 DJED C[C@H](SCc1ccccc1C#N)c1nc(-c2ccccc2)no1 177622236 LYSNGKJPVRGQJT-ZDUSSCGKSA-N 321.405 4.603 30 20 DJED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(F)cc1Cl 178176853 KWSFWVMYQCCHNT-NEPJUHHUSA-N 302.780 4.763 30 20 DJED Cc1cc(Oc2ccc(C#N)c(Br)c2)ccc1F 228203098 DYDNKMDQTQYNQD-UHFFFAOYSA-N 306.134 4.561 30 20 DJED N#CCCCOc1cccc(CN[C@@H](c2ccccc2)C2CC2)c1 237825846 ZWYFIBFVFCTWAO-NRFANRHFSA-N 320.436 4.610 30 20 DJED COc1ccc([C@H]2CCCN2c2ccc(Cl)cc2C#N)cc1 301151993 KUHADMSKQAPUEK-QGZVFWFLSA-N 312.800 4.562 30 20 DJED Cc1nc(C/N=C(/O)Nc2ccc(C3CCC3)cc2)sc1C 330223337 SGGDFQICIFOTMW-UHFFFAOYSA-N 315.442 4.554 30 20 DJED C=CCC[C@H](NC(=O)Nc1c(C)ccnc1C)c1ccccc1 351954717 AJNUXLJFIDPVIC-KRWDZBQOSA-N 309.413 4.527 30 20 DJED CS[C@H](C)CCC(=O)Nc1ccccc1S[C@@H](C)CC#N 358412763 ZRFXJYRFOPCLMO-OLZOCXBDSA-N 322.499 4.551 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc(Cl)ccc1Cl 435664783 NVGZRNUUDGLBBS-HSMVNMDESA-N 314.256 4.625 30 20 DJED C=CC[C@H]1N(C(=O)Nc2cc(F)ccc2F)CCCC1(C)C 436103133 TVZDIPRGHJOXIR-OAHLLOKOSA-N 308.372 4.563 30 20 DJED Cc1ccccc1Oc1ccccc1CN[C@H]1CC[C@@H](C#N)C1 442780341 MXBAHFDNTYFFBE-AEFFLSMTSA-N 306.409 4.569 30 20 DJED C=CC1CCN(C(=O)c2ccc(-c3ccc(CC)cc3)o2)CC1 463839713 ZHIJDIAYKBRWIF-UHFFFAOYSA-N 309.409 4.547 30 20 DJED C=CCCC1(C(=O)Nc2cccc(Oc3ccccn3)c2)CC1 476201334 WMZHBDYJLGINKE-UHFFFAOYSA-N 308.381 4.559 30 20 DJED C=CC[C@H]1N(C(=O)c2ccc(C(C)(C)C#N)cc2)CCCC1(C)C 477119414 IINVIDXXWQICKJ-GOSISDBHSA-N 324.468 4.695 30 20 DJED Cc1cc(Br)cc(C)c1CNc1ccc(C#N)cc1 477587774 MKJRNXXIAZPVRV-UHFFFAOYSA-N 315.214 4.550 30 20 DJED CCc1c(N[C@@H](C)c2cccc(C#N)c2)cnn1C(CC)CC 477926648 MTPZSEQSXIKZIL-AWEZNQCLSA-N 310.445 4.851 30 20 DJED C=CCC[C@@H](C(=O)N[C@@H](C)c1cccc(OC)c1)c1ccccc1 487685461 HZUPPOXQDDGTTP-OXJNMPFZSA-N 323.436 4.622 30 20 DJED C=CCN(CCc1ccccc1)C(=O)c1oc2ccccc2c1C 499309266 MNUPNLQGBGFMTD-UHFFFAOYSA-N 319.404 4.612 30 20 DJED N#CCCC1CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1 516069135 UYEVVJMOIFYDSU-UHFFFAOYSA-N 324.468 4.503 30 20 DJED Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1 520153046 DCXZDANQCDDFKX-UHFFFAOYSA-N 321.424 4.557 30 20 DJED C=CCCCS[C@@H](C)C(=O)N[C@H](CCC)c1ccccc1 522756705 DEFFMOOXEZJQCG-DOTOQJQBSA-N 305.487 4.732 30 20 DJED N#CCc1ccc(CN[C@H](c2ccc(F)cc2)C2CCC2)cc1 542211750 ODURIKNCEQDXFK-FQEVSTJZSA-N 308.400 4.523 30 20 DJED CC(=O)c1ccc(C#N)c(NCc2ccc(-c3ccccc3)o2)c1 543437010 DKUPXIBJEXXNEU-UHFFFAOYSA-N 316.360 4.633 30 20 DJED C=C[C@H](Cc1nc([C@H](C)c2cccs2)no1)c1ccccc1 545020755 UKVVVAPOIZKQHW-ZIAGYGMSSA-N 310.422 4.795 30 20 DJED Cc1ccc2ccccc2c1CN[C@@H](C)c1ccc(C#N)cc1 548935994 GCHPAHWLKQFLHO-INIZCTEOSA-N 300.405 4.871 30 20 DJED CC(C)c1ccc(C(=O)N2CCC(CCC#N)CC2)cc1Cl 563186497 OHDASBRZSVONKZ-UHFFFAOYSA-N 318.848 4.619 30 20 DJED N#Cc1ccc(NC(=O)Nc2cccc3ccsc23)cc1F 589350663 YOOWDFAQFMRXHA-UHFFFAOYSA-N 311.341 4.556 30 20 DJED CCN(Cc1cc2ccncc2s1)[C@H](C)c1ccc(C#N)cc1 596983777 GCXWDMVAKVIMQO-CQSZACIVSA-N 321.449 4.751 30 20 DJED C=C1CCN(CC/C=C\c2ccc(Br)cc2)CC1 604998322 OYUJJNUHFUPIGP-RQOWECAXSA-N 306.247 4.504 30 20 DJED C=CCCCCCN(C)C(=O)CCc1ccc([C@H]2C[C@H]2C)o1 606816410 VXCSNBOJGLKIBZ-WBVHZDCISA-N 303.446 4.540 30 20 DJED C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(C#N)cc1 610122117 CZKNQNKSLGGRTI-INIZCTEOSA-N 318.420 4.562 30 20 DJED N#Cc1ccccc1-c1ccc(CSC[C@H]2CCCOC2)cc1 610897696 IOFXTDDKCGVMBB-KRWDZBQOSA-N 323.461 4.885 30 20 DJED CC[C@H](C)CCCCC(=O)N[C@@H](CCC#N)c1ccccc1 612051369 NIPPFSNAOIRZIA-WMZOPIPTSA-N 300.446 4.754 30 20 DJED C[C@H](CCCC(F)(F)F)Nc1ccc2cc(C#N)ccc2n1 617221156 AQJSOTROZQTZDR-LLVKDONJSA-N 307.319 4.639 30 20 DJED N#Cc1c(Cl)cccc1N[C@H](c1ccccc1)c1ccccn1 619511156 RNBQUOLEGZSSNC-LJQANCHMSA-N 319.795 4.808 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCC[C@H](F)C1 646375845 YQCVHSPKDHSUDD-JKSUJKDBSA-N 318.436 4.941 30 20 DJED CCn1cc(/C=C\C(=O)c2cc3c(ccc4ccccc43)o2)cn1 732529053 MCJMGIMQGYBTTN-CLFYSBASSA-N 316.360 4.699 30 20 DJED Fc1cccc(F)c1NN=C(CC(F)(F)F)c1ccccc1 735615591 UBJLHIYQMJVACJ-UHFFFAOYSA-N 314.257 4.733 30 20 DJED C=C(C)COc1cc(/C=C\C(=O)c2ccccc2C)ccc1OC 747063637 PDCMCIPSCDIMAV-LUAWRHEFSA-N 322.404 4.855 30 20 DJED N#Cc1csc(/C=C\C(=O)c2cc3cc(Cl)ccc3o2)c1 748440277 JSVUVIJVXMXYJP-IHWYPQMZSA-N 313.765 4.915 30 20 DJED Fc1c(Cl)cccc1C=NOc1ccccc1C(F)(F)F 754712302 KQJUFQOYVZDHBK-UHFFFAOYSA-N 317.669 4.911 30 20 DJED CSc1ccc(C(=O)/C=C\c2cnc(C(C)C)s2)cc1 758431035 UIFXJGMSRBIYKI-HJWRWDBZSA-N 303.452 4.885 30 20 DJED CC(C)CC(=NNc1ncnc2ccsc12)c1cccs1 764835719 QNUMLDSIQOFAQJ-UHFFFAOYSA-N 316.455 4.615 30 20 DJED CC(C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)=C1CCCC1 765938819 MNXYRYGAHYDGLM-CYBMUJFWSA-N 314.385 4.502 30 20 DJED O=C(/C=C\c1nc2c(s1)CCCC2)c1ccc(F)c(Cl)c1 776263251 CDJSKNTYHBNTQL-FPLPWBNLSA-N 321.804 4.711 30 20 DJED C[C@H](Nc1cccc(OCCCC#N)c1)c1ccnc(Cl)c1 776841358 JGWSWBPJWCBXSY-ZDUSSCGKSA-N 315.804 4.591 30 20 DJED C#Cc1cccc(NCc2csc(-c3ccc(C)cc3)n2)c1 776842893 HSFWYXNPELDNES-UHFFFAOYSA-N 304.418 4.712 30 20 DJED C=CC[C@H](C(=O)O[C@@H](C)c1cccc(C#N)c1)c1ccccc1 778631579 IKWZGJUCCMJGEM-KXBFYZLASA-N 305.377 4.522 30 20 DJED CCCCCCCCC[C@H](C)CC(=O)N1CCC(C#N)CC1 787272269 PIFCRAVOFIPRNJ-KRWDZBQOSA-N 306.494 4.915 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2ccsc2Cl)c(Cl)c1 788360540 ZBEWOBPEIBHZMQ-DUXPYHPUSA-N 308.189 4.823 30 20 DJED c1ccc([C@H]2CCCC2=NNc2cccc3ccccc23)nc1 794900383 ZYBOIYDNBIQXPS-QGZVFWFLSA-N 301.393 4.970 30 20 DJED CC(C)c1cccc2c1OCC/C(=C\c1ccnn1C(C)C)C2=O 794941711 WCFBLWUBYBQZPT-NTCAYCPXSA-N 324.424 4.636 30 20 DJED CC(C)CC1(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)CCC1 797572427 ZLMYDCRBQQXJJZ-ZDUSSCGKSA-N 318.486 4.833 30 20 DJED CCN(C(=O)c1ccc(C)c(C#N)c1)c1ccc2ccccc2c1 799322132 CTYALNDSJPTHDE-UHFFFAOYSA-N 314.388 4.687 30 20 DJED C=CC[C@H](NC(=O)c1cc2cccc(C)c2s1)c1ccncc1 808418790 ATKUIOWCXRFMGL-INIZCTEOSA-N 322.433 4.652 30 20 DJED Cc1ccc(C=NOCc2ccc(Cl)c3cccnc23)cc1 917396643 FKWILVGVSRQOBX-UHFFFAOYSA-N 310.784 4.747 30 20 DJED O=C(/C=C\c1cccc(OC2CCCC2)c1)c1cccc(O)c1 917518267 ZLNVRCAASXNOJM-QXMHVHEDSA-N 308.377 4.610 30 20 DJED O=C1/C(=C\c2ccc(C(F)(F)F)cc2)Cc2c(F)cccc21 921263279 ATEPJWIUZQDRPI-FLIBITNWSA-N 306.258 4.667 30 20 DJED N#Cc1ccnc(/C=C\c2ccc(Cl)c(Br)c2)c1 1117390803 ASIZPEHALYMYHD-IWQZZHSRSA-N 319.589 4.540 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2ccc(C)nc2Cl)CCCC1(C)C 1123428791 CIXYPVINCVXVPG-AWEZNQCLSA-N 321.852 4.642 30 20 DJED CCC[C@@H](C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C(C)C 1124214443 TXIAQUJTAKAJEU-CHWSQXEVSA-N 318.486 4.755 30 20 DJED C[C@H]1CC(C)(C)c2cccc(NC(=O)[C@@]3(C#N)CC34CCCC4)c21 1133932117 ZTPQKFJRYHKDSU-QKKBWIMNSA-N 322.452 4.884 30 20 DJED Cc1nc(NCC2CCC(c3ccccc3)CC2)ccc1C#N 1162471666 VCAOYYFZXXWKGM-UHFFFAOYSA-N 305.425 4.648 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC/C=C\c1cccc(F)c1 1308429158 ZQIDVRIGLLHSTJ-XQRVVYSFSA-N 310.372 4.610 30 20 DJED CC(CCc1cccc(C)c1)=NNc1ccc(C(C)(C)C)nn1 1318681737 PVBOGJIUHRYZNZ-UHFFFAOYSA-N 310.445 4.503 30 20 DJED Cc1nc(Sc2nc(C3CCCCC3)cs2)ccc1C#N 1458549778 NUAZQFCEOWUAFX-UHFFFAOYSA-N 315.467 4.917 30 20 DJED N#Cc1ccc(OCc2cc(Cl)cc(Br)c2)cc1 1458813052 FIMHBXXZVVSDRB-UHFFFAOYSA-N 322.589 4.553 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(C(F)(F)F)s1 1462362276 DOARHWWQZKGEGJ-NSHDSACASA-N 324.371 4.832 30 20 DJED Cc1c(C#N)cccc1NC(=O)NCC1(C)CCC(C)(C)CC1 1465873312 RHHSWQSOWSYGKM-UHFFFAOYSA-N 313.445 4.595 30 20 DJED Cc1cc(CNCc2ccc(C)c3ccccc23)ccc1C#N 1474181519 ITBBCZARIBBGNT-UHFFFAOYSA-N 300.405 4.618 30 20 DJED N#Cc1nc(N[C@@H]2CC[C@H](c3cccc(F)c3)C2)sc1Cl 1642658642 HFKDHYWAQNFZLL-CMPLNLGQSA-N 321.808 4.555 30 20 DJED CC(C)(C)c1ccc(C#N)c(NC2(Cc3ccc(F)cc3)CC2)n1 1651851918 JVKAPXZBOZVMKF-UHFFFAOYSA-N 323.415 4.577 30 20 DJED Cc1cc(Sc2nccc(Oc3ccccc3)n2)ccc1C#N 1651969842 OERMYZAQXDSRJF-UHFFFAOYSA-N 319.389 4.600 30 20 DJED Cc1cc(CNc2ccc(C)c(C(F)(F)F)c2)ccc1C#N 1661740806 LJSSSOALERSKNX-UHFFFAOYSA-N 304.315 4.806 30 20 DJED C=CCNC(=O)c1ccccc1Oc1ccc(Cl)cc1Cl 65504865 KJEVRTHHRNNSDS-UHFFFAOYSA-N 322.191 4.702 30 20 DJED CC(C)(C#N)CCCSCc1noc(C2CCCCC2)n1 162401253 NLGNZTWNJRLTIC-UHFFFAOYSA-N 307.463 4.680 30 20 DJED COc1ccc([C@H](C)[C@H](C)Nc2ccccc2O[C@@H](C)C#N)cc1 180204812 CVDDAWUYRFEIQH-XHSDSOJGSA-N 324.424 4.590 30 20 DJED C=C(C)CN(C)C(=O)Nc1ccc(SC(C)(C)C)cc1C 181677603 ZWBDRBVVQABFDR-UHFFFAOYSA-N 306.475 4.925 30 20 DJED CCCOc1ccccc1N[C@H](C)c1ccc(OCC#N)cc1 192979424 WZQSGPXSEYLRAL-OAHLLOKOSA-N 310.397 4.551 30 20 DJED N#Cc1cccc(NCc2cc(Br)ccc2Cl)c1 230572647 SGWSHSCAUFSEHF-UHFFFAOYSA-N 321.605 4.586 30 20 DJED Cc1nc(CCNc2ccccc2S[C@H](C)CC#N)cs1 276863791 PRBOGWOZCAZKBB-GFCCVEGCSA-N 317.483 4.500 30 20 DJED C[C@@H](N[C@H]1CCCCC12CCCC2)c1ccc(OCC#N)cc1 324098725 IPYPDBFFLQNMNY-APWZRJJASA-N 312.457 4.743 30 20 DJED CC(C)CC[C@H](NC(=O)CCCC#N)c1ccc(Cl)cc1 360046095 FSBGOPKSYBSDQG-INIZCTEOSA-N 306.837 4.627 30 20 DJED CC(C)(C#N)CCCCN1CCC(OC2CCCCC2)CC1 409447332 KKFUCEUITQRFIY-UHFFFAOYSA-N 306.494 4.520 30 20 DJED C=CCC[C@H](C(=O)N[C@@H](C)c1ccncc1CC)c1ccccc1 427930263 ATUZTNOTRZEBGP-JXFKEZNVSA-N 322.452 4.571 30 20 DJED N#Cc1cccc(SCc2csc(C3CCCC3)n2)c1 435023360 JLSIHNIKQOPCFQ-UHFFFAOYSA-N 300.452 4.965 30 20 DJED CC(C)CN(CCCCC(F)(F)F)Cc1ccc(C#N)cc1 443619144 ADPQCKBPYFLCHM-UHFFFAOYSA-N 312.379 4.749 30 20 DJED C=CC[C@@H]1N(Cc2cc3ccccc3nc2O)CCCC1(C)C 444788060 ZYGUDOABZVHHQL-SFHVURJKSA-N 310.441 4.507 30 20 DJED Cc1cc(C#N)cc(NC(=O)N2CCCCC[C@H]2c2ccco2)c1 456014302 XRUBJYAKFYCHAC-KRWDZBQOSA-N 323.396 4.609 30 20 DJED C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@@H]1c1ccc(C)cc1 460933192 JVKJRBCEVMJYPY-GOSISDBHSA-N 324.472 4.628 30 20 DJED CC#CCCCC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 464441974 OXXFEIUEZIDIIO-UHFFFAOYSA-N 313.347 4.764 30 20 DJED CCC[C@@H]1[C@@H](C)CCCN1C(=O)C[C@H](CC#N)c1ccccc1 476191602 MKUDHFMXNBMFTI-YTQUADARSA-N 312.457 4.501 30 20 DJED C=C(C)[C@@H](NCc1cc(C)ccc1OC)c1ccc(F)c(F)c1 479393595 MTTHMYNLJPNIHS-LJQANCHMSA-N 317.379 4.689 30 20 DJED C=CCCCC(=O)Nc1ccccc1CN(C)C1CCCCC1 480556048 PABPRIPKMOACBK-UHFFFAOYSA-N 314.473 4.746 30 20 DJED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)Nc1sccc1C#N 489493239 RRKDEQXTKHAICX-TZMCWYRMSA-N 310.422 4.548 30 20 DJED C=CCC(CC=C)C(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 500596794 LBMRHWXBTSZTEC-WOJBJXKFSA-N 307.437 4.602 30 20 DJED CC(C)(C#N)CC(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1 501673967 OBIZRYRDZMDCSK-QGZVFWFLSA-N 318.848 4.627 30 20 DJED Cc1ccc(C)c(-n2ncc(NCCCC(C)(C)C#N)c2C)c1 506250279 ZDNYIKTYONHBOP-UHFFFAOYSA-N 310.445 4.539 30 20 DJED C=C(C)[C@@H](CC(=O)N1CCCCC[C@@H]1c1ccccc1)OCC 534425784 QMDPWYOXBPGPBE-RTBURBONSA-N 315.457 4.502 30 20 DJED C=C[C@H](CC(=O)N(CCC#N)CC(CC)CC)c1ccccc1 536185949 SNYYDXFZLBMPIX-GOSISDBHSA-N 312.457 4.525 30 20 DJED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(Cl)cc1 561139930 HUSWCEHDHFUWDO-ORAYPTAESA-N 310.828 4.940 30 20 DJED CC(C)(CCC#N)CNc1cnc2cc(Cl)c(Cl)cc2n1 561697262 NWLIVWSHDVLOGU-UHFFFAOYSA-N 323.227 4.678 30 20 DJED CC[C@H](N[C@@H](C)c1c(F)cccc1F)c1ccc(C#N)cc1 569553513 WXIPZPHEEDIDSS-SJCJKPOMSA-N 300.352 4.638 30 20 DJED N#CCc1ccccc1NC(=O)C1CCC(c2ccccc2)CC1 571681407 GJMUFAOJHRVGEU-UHFFFAOYSA-N 318.420 4.665 30 20 DJED N#CCc1ccccc1NC(=O)CCCCCc1ccc(F)cc1 576668943 RPBFQCDDCPHYRP-UHFFFAOYSA-N 324.399 4.633 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccc(Cl)cc1-n1cccc1 606949125 YUMIYBHUJMXZBV-UHFFFAOYSA-N 317.820 4.561 30 20 DJED C[C@H](NCc1ccc(F)c(Cl)c1Cl)c1cccc(C#N)c1 617791938 GFNIIJHFCUWIIG-JTQLQIEISA-N 323.198 4.855 30 20 DJED N#Cc1cc(NCc2cccc3[nH]ccc23)ccc1C(F)(F)F 618197820 BZWLZIPHMZJCPS-UHFFFAOYSA-N 315.298 4.670 30 20 DJED C=CC[C@H]1CCCN(C(=O)Nc2c(C)cccc2SC)C1 666737970 UVUQKVLIGYCXBX-AWEZNQCLSA-N 304.459 4.537 30 20 DJED CCCCCN(C(=S)Nc1ccc(C#N)c(Cl)c1)C(C)C 726483724 ZKFFLLNMBWFGEQ-UHFFFAOYSA-N 323.893 4.809 30 20 DJED Cc1c(C(=O)/C=C/c2ccccc2)cnn1-c1cccc(Cl)c1 731565419 ONZAFUBFUYLFOY-ZHACJKMWSA-N 322.795 4.730 30 20 DJED Cc1ccsc1C(=O)/C=C/c1ccc(Br)s1 733749351 KYPPKEVXKZUVHH-DUXPYHPUSA-N 313.241 4.777 30 20 DJED C=CC[C@@H](NC(=O)CCCC1CCCCC1)c1ccncc1 734237746 UEOSUFSPJJXARC-GOSISDBHSA-N 300.446 4.566 30 20 DJED CCCCCC[C@H](CC)C(=O)N[C@H](C)c1ccc(C#N)cc1 735000156 ZUHHDALYBZTLCH-WBVHZDCISA-N 300.446 4.732 30 20 DJED CC1CCN(c2ccc(N[C@H](C)c3ccc(C#N)cc3)cc2)CC1 743463463 XEAKHDZBSJLRDA-QGZVFWFLSA-N 319.452 4.968 30 20 DJED Cc1cccc(NN=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 745983699 DXCATLQZFSQEJH-UHFFFAOYSA-N 321.336 4.609 30 20 DJED COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1F 746999045 KUQHSODXQCNYFX-PKNBQFBNSA-N 306.336 4.884 30 20 DJED CCCOc1c(/C=C\C(=O)c2ccsc2)cccc1OCC 749101724 IURPWNAMUXXVOZ-HJWRWDBZSA-N 316.422 4.832 30 20 DJED Cc1cc(C(=O)/C=C/C=C/c2ccccc2[N+](=O)[O-])c(C)s1 750899320 CIROFWYFIBWNHE-GZFKCFCKSA-N 313.378 4.725 30 20 DJED C#CC[C@@H](NC(=O)Nc1cccc(C)c1Cl)c1ccccc1 757894673 JZBSDQIHDFYXCA-OAHLLOKOSA-N 312.800 4.535 30 20 DJED CC[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2[nH]1)C1CCC(C)CC1 764761160 YHUISDQHEWSMOH-FJBKBRRZSA-N 323.440 4.592 30 20 DJED CC(C)(C#N)CCCCOC(=O)c1cccc2ccsc12 768869726 FYOOWNAUCFUONS-UHFFFAOYSA-N 301.411 4.778 30 20 DJED CC[C@H](Nc1ccc2cc(C#N)ccc2n1)c1ccccc1OC 771653879 OQMJEZSFBNZBRE-KRWDZBQOSA-N 317.392 4.678 30 20 DJED COc1ccc(Cl)c(N[C@@H](C)c2ccc(C#N)c(F)c2)c1 777709356 RYPXVKUWKLALEY-JTQLQIEISA-N 304.752 4.532 30 20 DJED C[C@@H](C=NOCCC(F)(F)F)c1ccc(C(F)(F)F)cc1 789051097 PXDCFODQCFWOBC-VIFPVBQESA-N 313.241 4.764 30 20 DJED C=CC[C@H](C(=O)Oc1ccc2cccnc2c1)c1ccccc1 791858630 CVXBYBNWWTYMSU-SFHVURJKSA-N 303.361 4.500 30 20 DJED CCCCCCCCOCc1nc([C@H]2CCC(F)(F)C2)no1 799189231 AFKNVXUQIZTJAK-ZDUSSCGKSA-N 316.392 4.850 30 20 DJED C[C@@H](NC(=O)CCCCCC#N)c1csc2ccccc12 805179996 ZCJCIJRGMRXLEA-CYBMUJFWSA-N 300.427 4.553 30 20 DJED CC(CCCCC#N)=NNc1ncc(C(F)(F)F)cc1Cl 841603990 HHDBCJJHIGPTMA-UHFFFAOYSA-N 318.730 4.626 30 20 DJED CC(=NNc1ccc(Cl)cc1)c1[nH]c(-c2ccccc2)nc1C 915110579 ZTWRXNUHWZLDIT-UHFFFAOYSA-N 324.815 4.875 30 20 DJED O=C(/C=C/c1cccc2c1OCO2)c1ccc(Cl)cc1Cl 915980942 DYQLNQOTVWGQKB-QPJJXVBHSA-N 321.159 4.618 30 20 DJED COc1ccc(O)c(/C=N\[C@@H](C)c2cccc(C(F)(F)F)c2)c1 920944340 BNJPFFVLITYAHW-GVHCZZSVSA-N 323.314 4.600 30 20 DJED C=CCN(Cc1cccs1)C(=O)/C=C(/C)c1ccc(F)cc1 921277237 UQSSGWAYHPYAMP-OWBHPGMISA-N 315.413 4.505 30 20 DJED CCCCN(Cc1ccc(OCC#N)cc1)[C@H]1CCC[C@@H](C)C1 1170683624 RHVRYCYKXNLNKL-MJGOQNOKSA-N 314.473 4.770 30 20 DJED CCN(CCC1(C#N)CCCCC1)[C@H](C)c1ccc(C#N)cc1 1190476407 RYMAMDSMYHYYEB-QGZVFWFLSA-N 309.457 4.805 30 20 DJED CCOc1ccc(SCc2ccc(C#N)cc2Cl)cc1 1307280634 SJVAIVDUAWMHFN-UHFFFAOYSA-N 303.814 4.903 30 20 DJED CC(C)Oc1ccc2ccccc2c1CN1CCC[C@](C)(C#N)C1 1307601704 KHFDBFQGBYXWKY-OAQYLSRUSA-N 322.452 4.753 30 20 DJED CSc1ccccc1C(C)=NNc1nccc2sccc12 1321179977 NHFAOUPROGFZRQ-UHFFFAOYSA-N 313.451 4.854 30 20 DJED CC[C@@H](CC(C)C)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1349230595 RVXWPOWKDTWQSU-STQMWFEESA-N 318.486 4.755 30 20 DJED CC[C@@H]1CCC[C@@H]1C(=O)N(Cc1ccco1)c1ccccc1C#N 1349928964 FFUZWVLZVPRFFE-QAPCUYQASA-N 322.408 4.511 30 20 DJED CCOc1ccc(C#N)cc1NC(=O)C(C)(C)C1CCCCC1 1351409297 BLNNEYDLCRDCBW-UHFFFAOYSA-N 314.429 4.502 30 20 DJED CCCCN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[C@@H](C)C1 1464910638 KTCFXQISVPOYCL-QAPCUYQASA-N 313.445 4.771 30 20 DJED CC[C@H](OC(=O)c1ccc(CC#N)cc1)c1cccc(Cl)c1 1521076871 RLFGJSDAVZMDNL-KRWDZBQOSA-N 313.784 4.714 30 20 DJED Cc1c(C#N)cccc1C(=O)O[C@H](C)c1cccc(Cl)c1F 1521515627 PQVDVBSXSDNWNT-LLVKDONJSA-N 317.747 4.577 30 20 DJED Cc1c(C(=O)O[C@H]2CCC[C@@H](C#N)C2)sc2cccc(F)c12 1525049790 YLKNYJNOZWHBSY-NEPJUHHUSA-N 317.385 4.588 30 20 DJED COc1cc(C#N)ccc1CN[C@@H](CC(C)C)c1ccccc1C 1559701672 AHZIXTIINAPEKW-FQEVSTJZSA-N 322.452 4.752 30 20 DJED Cc1ccccc1C(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@H]2C 1588270408 DKLNDPUWEDFXOJ-DGCLKSJQSA-N 324.449 4.866 30 20 DJED CC(C)(C)[C@H]1CCCN(Cc2ccc(Cl)cc2C#N)CC1 1615519528 ICYGYHPDYIFTLL-INIZCTEOSA-N 304.865 4.860 30 20 DJED CN(CCc1cccc2ccccc12)c1cccc(F)c1C#N 1639382261 FPLAUBXUWILXOR-UHFFFAOYSA-N 304.368 4.529 30 20 DJED CC(C)(CNc1nc(C(F)(F)F)ccc1C#N)C1CCCC1 1650878742 SILQBUZWQCXSNV-UHFFFAOYSA-N 311.351 4.600 30 20 DJED CC[C@@H](CN1CCC(c2ccc(C#N)cc2)CC1)c1ccccc1 1658990547 ULWBPGYGPQTBRU-IBGZPJMESA-N 318.464 4.931 30 20 DJED Cc1ccccc1C(=O)/C=C\c1csc2ccc(C(=O)O)cc12 1777465272 HLIJJXUGUXZEOI-VURMDHGXSA-N 322.385 4.804 30 20 DJED N#Cc1cccc(SCc2coc(-c3cccc(F)c3)n2)c1 177099036 UQPFTWRTSPMSND-UHFFFAOYSA-N 310.353 4.645 30 20 DJED COc1ccccc1/C=C\C(=O)c1ccc(Cl)c(Cl)c1 210577343 ZBRDRQJCKPDROR-CLFYSBASSA-N 307.176 4.898 30 20 DJED O=C(/C=C\c1ccccc1C(F)(F)F)c1ccc(F)cc1F 212510075 MNAHGQLRZYOGHC-YVMONPNESA-N 312.237 4.880 30 20 DJED N#CCCCOc1cccc(CN[C@@H]2CCCc3ccccc32)c1 237825547 JYZGDUGFXDKMKL-OAQYLSRUSA-N 320.436 4.536 30 20 DJED N#Cc1csc(/C=C\C(=O)c2ccc(C(F)(F)F)cc2)c1 255624531 PBBLGPZAEWKYCC-WAYWQWQTSA-N 307.296 4.535 30 20 DJED CC(C)(C#N)CCCCSCc1cc(F)cc2c1OCOC2 277827395 JULICLXQANJNBU-UHFFFAOYSA-N 323.433 4.645 30 20 DJED N#CCC[C@H](NCc1ccnc(Cl)c1Cl)c1ccccc1 290841989 IVOWOFIYNFHVSW-AWEZNQCLSA-N 320.223 4.523 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)c2cccnc2)n1 299028655 HOHIMWSMRHKWFV-SNVBAGLBSA-N 323.343 4.529 30 20 DJED N#Cc1ccc(NC(=O)c2csc3ccccc23)cc1Cl 314887971 RKVKAIMCBQAGLQ-UHFFFAOYSA-N 312.781 4.679 30 20 DJED CC1(C)CCCC[C@@H]1CC(O)=Nc1cccc2c1CN=C2O 329298697 UMSNDQLQEYFSFH-GFCCVEGCSA-N 300.402 4.699 30 20 DJED CC(C)c1ccc(NC(=O)N[C@H]2CCC[C@H]2C#N)c(C(C)C)c1 334035566 QMOOHHKHVFXTSN-RDJZCZTQSA-N 313.445 4.747 30 20 DJED CC(C)(C#N)CCC[S@](=O)c1ccc(-c2ccccc2)cc1 414294370 PZMFDNWRDLFTDX-QFIPXVFZSA-N 311.450 4.791 30 20 DJED Cc1c(C#N)cccc1C(=O)N(C(C)C)[C@@H](C)c1ccsc1 421695494 XGVFICGWJLTPTK-AWEZNQCLSA-N 312.438 4.540 30 20 DJED FC(F)(F)c1ccc(C#CCN2CC[C@H]2c2ccccc2)cc1 427007415 HXPVMFTWVBRPME-SFHVURJKSA-N 315.338 4.504 30 20 DJED C=C(C)CN1CCC(N[C@H]2C[C@@H](C(C)C)c3ccccc32)CC1 447531209 QGEKMJMWHRLJLL-SFTDATJTSA-N 312.501 4.501 30 20 DJED C=CCC[C@H](NCc1ccnn1C1CCCC1)c1ccccc1 449198812 DMBCGLZYKJCFQW-FQEVSTJZSA-N 309.457 4.795 30 20 DJED CC#CCCCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 464519282 HBLRRUKVHRIRMY-UHFFFAOYSA-N 304.604 4.779 30 20 DJED Cc1cc(C)c(C#N)c(N[C@@H](C)c2cc3cccc(F)c3o2)n1 473909373 HITMCPLCFJWZQR-LBPRGKRZSA-N 309.344 4.629 30 20 DJED C=C(C)[C@@H](NC[C@H](C)CC1CCOCC1)c1ccc(F)c(F)c1 479417804 GFODBTOPUOSACV-AUUYWEPGSA-N 323.427 4.624 30 20 DJED N#Cc1cc(F)ccc1CSc1nc2cc(Cl)ccc2o1 483069464 LRHYKMZLDFOCCQ-UHFFFAOYSA-N 318.760 4.784 30 20 DJED C=C[C@@H]1CCCCN1C(=O)c1oc2ccc(Cl)cc2c1C 488881717 UAASTRNOKADKDI-CYBMUJFWSA-N 303.789 4.575 30 20 DJED C[C@@H](c1cccc(Cl)c1)N(C)Cc1ccc(F)cc1C#N 489545448 GBBMNNXXRFFLJO-LBPRGKRZSA-N 302.780 4.544 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc2[nH]c(C)cc2c1)c1ccccc1 495014556 DEDSOXYAJRLSFU-GOSISDBHSA-N 304.393 4.775 30 20 DJED C[C@H](N[C@H](CC(C)(C)C)C(F)(F)F)c1ccc(C#N)c(F)c1 495391663 QZOFIIHAUDHUQM-IINYFYTJSA-N 316.342 4.715 30 20 DJED N#Cc1cnccc1/C=C/c1ccc(Cl)c(C(F)(F)F)c1 504713684 YFACQAAJEZFMAD-HNQUOIGGSA-N 308.690 4.796 30 20 DJED CC(C)C[C@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 524820352 JHHNBJRVEKOQLG-UZLBHIALSA-N 320.436 4.565 30 20 DJED C=CC[C@@H](C)NC(=O)c1cc(C)ccc1SC1CCCC1 540725934 KWQOTVSQRYWQJQ-CQSZACIVSA-N 303.471 4.724 30 20 DJED CC(C)c1noc(-c2ccc(Oc3cccc(F)c3C#N)cc2)n1 544940204 GAVDAWDUSXDXJL-UHFFFAOYSA-N 323.327 4.663 30 20 DJED COc1ccc2cc([C@H](C)NCC(C)(C)CCC#N)ccc2c1 554075252 VGBQNPXIFRIEPU-HNNXBMFYSA-N 310.441 4.829 30 20 DJED CC(C)Oc1ccc(Cl)cc1NCc1ccc(C#N)s1 580982971 POIMFQDONPYALY-UHFFFAOYSA-N 306.818 4.672 30 20 DJED C[C@@H](C#N)CSc1ccccc1NCc1ncccc1Cl 600553867 ATUAVQYXNZMYAQ-LBPRGKRZSA-N 317.845 4.599 30 20 DJED C=CCCCCCN(C)Cc1cc(-c2ccc(F)cc2)no1 606902251 JQKHWTSZWKLKFU-UHFFFAOYSA-N 302.393 4.659 30 20 DJED N#Cc1ccc(CN[C@@H]2CCSc3ccccc32)cc1Cl 619754651 GQYGMIIPTCGYTB-MRXNPFEDSA-N 314.841 4.538 30 20 DJED c1ccc([C@@H]2CCCCC2=NNc2nncc3ccccc23)cc1 725720341 YCYHGESPAMIGCW-KRWDZBQOSA-N 316.408 4.756 30 20 DJED CC(=NNc1cccc2cnccc12)c1ccc(Cl)s1 728432607 YTVXQRQVKKVOAY-UHFFFAOYSA-N 301.802 4.786 30 20 DJED C#Cc1ccc(C(=O)Nc2ccc(S[C@@H](C)CC)cc2C)nc1 728819707 FYTXTZKEBZPXRZ-AWEZNQCLSA-N 324.449 4.514 30 20 DJED Cc1ccc(/C=C\C(=O)c2c(Cl)nc3ccccn23)cc1C 737446070 NFYXUIPJHGZBJC-HJWRWDBZSA-N 310.784 4.501 30 20 DJED CSc1ccc(C(=O)/C=C/c2cc(F)ccc2F)cc1F 741847544 PDQBEFRAIRDRRJ-QHHAFSJGSA-N 308.324 4.722 30 20 DJED C[C@H]1/C(=C/c2ccsc2)C(=O)c2cccc(Br)c21 742435281 SKURIMMACGAGDJ-PPLKPFPSSA-N 319.223 4.894 30 20 DJED CCC(CC)(C/N=C/c1c(O)ccc2ccccc12)SC 743044258 HXRMMPMMFNKRCO-XDHOZWIPSA-N 301.455 4.886 30 20 DJED C[C@H](OC(=O)[C@H](C)c1ccc(Cl)s1)c1cccc(C#N)c1 750698528 YBWRAFLCFBCKMG-MNOVXSKESA-N 319.813 4.681 30 20 DJED Cc1cccc2sc(C(=O)O[C@@H](C)C(C)(C)C#N)c(Cl)c12 753622605 ZWEGEBBYNKDOHH-JTQLQIEISA-N 321.829 4.958 30 20 DJED C[C@H](N[C@H](C)c1cc2c(cc1O)CCCC2)c1ccc(C#N)cc1 756454291 BVSNXTDXYRXCMR-LSDHHAIUSA-N 320.436 4.554 30 20 DJED CCc1nc2ccccc2n1N=Cc1ccc(Cl)cc1Cl 767358745 DEMGPGBKCQVAPV-UHFFFAOYSA-N 318.207 4.788 30 20 DJED C#CCCCCC(=O)Nc1ccccc1Oc1cccc(C)c1 773187111 NLRGYMOOPCCMQW-UHFFFAOYSA-N 307.393 4.919 30 20 DJED C#CC[C@H](NCc1cc(-c2ccc(C)cc2)no1)c1ccccc1 775400951 UTLGQWVJPNSYJK-FQEVSTJZSA-N 316.404 4.504 30 20 DJED N#C[C@H](OC(=O)c1c(Cl)cccc1Cl)C1CCCCC1 776360222 RQIMJOHUJYQDHA-ZDUSSCGKSA-N 312.196 4.623 30 20 DJED C[C@@H](C(=O)OCCC(C)(C)C#N)c1ccc(Cl)c(Cl)c1 776394224 UTDRZUPBANMQMD-SNVBAGLBSA-N 314.212 4.580 30 20 DJED C#CCCCCCC(=O)Nc1ccc(-c2nc(C)cs2)cc1 779899681 SGBPUSZFLFEXEY-UHFFFAOYSA-N 312.438 4.641 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc(Cl)c(Cl)n1)c1ccccc1 782850295 ISONFXXDSYGARG-NSHDSACASA-N 321.207 4.687 30 20 DJED Clc1cccc(Cl)c1CCC=NOCc1cccnc1 790171826 IRSZNBHSBJSJRR-UHFFFAOYSA-N 309.196 4.524 30 20 DJED Cc1cccnc1[C@@H]1CCCC(=NNc2ncccc2Cl)C1 799109056 UBRKFHMWFPHRJZ-CYBMUJFWSA-N 314.820 4.564 30 20 DJED C=CCC[C@@H](C(=O)OCc1coc(C(C)C)n1)c1ccccc1 802966213 ZFFHNMGSSOAQSG-QGZVFWFLSA-N 313.397 4.591 30 20 DJED Fc1cc(NN=Cc2cscc2C(F)(F)F)cc(F)c1F 811643761 KAYKXDHENMOJCO-UHFFFAOYSA-N 324.249 4.630 30 20 DJED CC(C)N(C(=O)/C=C/c1ccccc1C#N)[C@H](C)c1ccsc1 817485983 SBTMVSNUOSFWGG-XVJNWHFHSA-N 324.449 4.631 30 20 DJED COc1ccc(C(=O)/C=C/c2scnc2C2CC2)c(Cl)c1 819015340 ZTJONSDFKREWIO-VOTSOKGWSA-N 319.813 4.579 30 20 DJED C=C1CCC(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 888870271 PUEYNIRZYAMVDT-AWEZNQCLSA-N 314.454 4.766 30 20 DJED CCCCCCCCCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 914731907 CZIAKGHOTPEJCS-UHFFFAOYSA-N 324.852 4.518 30 20 DJED Fc1ccccc1C=NOCc1c(Cl)ccc2cccnc12 917395559 QPGSKPNSCUXZBR-UHFFFAOYSA-N 314.747 4.578 30 20 DJED Oc1ccccc1C=Nc1cccc(COc2ccccc2)c1 917557678 GKBBGRFNZDWMGU-UHFFFAOYSA-N 303.361 4.722 30 20 DJED Clc1cccc2c1CCC2=NNc1nccc2sccc12 921258082 JGCHTGXUDOCIOC-UHFFFAOYSA-N 313.813 4.712 30 20 DJED CCCC[C@H](CC)CC(=O)Nc1cc(C#N)ccc1OC(C)C 1125398483 JTPVNHGZCKPBJX-HNNXBMFYSA-N 316.445 4.890 30 20 DJED CC(C)CCn1ncc(NC2CCC(C)(C#N)CC2)c1C(C)C 1181455853 JYYNRZKMJBQCIT-UHFFFAOYSA-N 316.493 4.937 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1CCC(Cc2ccccc2F)CC1 1307525311 XLLHLMZPTIUMCW-INIZCTEOSA-N 322.427 4.713 30 20 DJED Cc1ccc(C)c([C@H]2CCCN2Cc2ccc(C#N)cc2C)c1 1307584262 QSYMFXKSWCEDLN-OAQYLSRUSA-N 304.437 4.821 30 20 DJED C=CCn1cnnc1S[C@H](C)c1ccc(Cl)cc1Cl 1323674690 GNEZIIISEHAMCP-SECBINFHSA-N 314.241 4.624 30 20 DJED CCCCC1CCC(CNC(=O)c2ccc(C)c(C#N)c2)CC1 1356110972 DLLOSKWKWYBEKD-UHFFFAOYSA-N 312.457 4.593 30 20 DJED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1361170771 LESBEXNVYZABOC-RISCZKNCSA-N 324.346 4.732 30 20 DJED CC[C@H](C#N)[C@H](OC(=O)/C(C)=C/c1ccco1)c1cccs1 1519365298 KLFHYTMFAPKHJS-PRRUQHAXSA-N 315.394 4.579 30 20 DJED Cc1ccc(C#N)cc1C(=O)O[C@@H](C)c1oc2ccccc2c1C 1521905837 OPFFSSHQRUSMIB-AWEZNQCLSA-N 319.360 4.839 30 20 DJED Cc1ccccc1[C@H](C)C(=O)N(c1cccc(C#N)c1)C1CCC1 1538998263 RBNMXYBSQUKUJB-INIZCTEOSA-N 318.420 4.556 30 20 DJED N#Cc1ccc(Nc2ccc(OCC3CCCCC3)cc2)nc1 1559086085 LHKBAPLUAIOAFV-UHFFFAOYSA-N 307.397 4.656 30 20 DJED CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNc1ccc(Cl)c(C#N)n1 1559088401 XEEKXXRWKKMZRO-HZSPNIEDSA-N 305.853 4.727 30 20 DJED Cc1nc(NCCC2CCC(F)(F)CC2)c(Cl)cc1C#N 1559299431 GEZVQZLKOSQVQN-UHFFFAOYSA-N 313.779 4.543 30 20 DJED CC(C)CN(C(=O)c1ccc(C#N)cc1)c1cccc(Cl)c1 1587411895 XSCRKUGSIWZZOC-UHFFFAOYSA-N 312.800 4.514 30 20 DJED N#Cc1cnc(N[C@@H](C2CCCCC2)C2CCC2)c(Cl)c1 1612528541 BMMBBAHGVUPUMC-INIZCTEOSA-N 303.837 4.768 30 20 DJED CCNc1ccc(C#N)cc1NC(=O)c1cccc(C(C)(C)C)c1 1630543114 FDYOTFRMBLCOHT-UHFFFAOYSA-N 321.424 4.540 30 20 DJED CSc1ccc(Nc2c(Br)cccc2C#N)cc1 1641995534 JONOEHLJCBGFQM-UHFFFAOYSA-N 319.227 4.786 30 20 DJED Cc1ccc(Cl)c2c1N(Cc1ccc(CC#N)cc1)CCC2 1646059281 XPAHJHOGPGZTCZ-UHFFFAOYSA-N 310.828 4.667 30 20 DJED Cc1cccc(CCCN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 1652554842 LOEZKDPWBAXVIE-FCHUYYIVSA-N 318.464 4.699 30 20 DJED CCOc1ccc(C#N)cc1NCCc1ccc(C(C)(C)C)cc1 1664234090 DFGPBTUWXVZRBZ-UHFFFAOYSA-N 322.452 4.909 30 20 DJED C=C(CNC(=O)N[C@@H](CC(C)C)c1ccccc1)c1ccccc1 1681836662 VZNKEEFOCWJEOY-FQEVSTJZSA-N 322.452 4.786 30 20 DJED CCC[C@H](C)CCCC(C)=NNc1ccc(C(=O)O)c(F)c1 1776076147 YYRHCBGKUBADGL-LBPRGKRZSA-N 308.397 4.918 30 20 DJED CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(C(=O)O)s2)cc1 1776120124 WKVXANYTVSYATH-CSKARUKUSA-N 314.406 4.640 30 20 DJED C=CCN(CCc1ccccc1)C(=O)Nc1c(C)cccc1CC 62369164 WKDDXQFNDRLIKO-UHFFFAOYSA-N 322.452 4.820 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1sc2ccc(F)cc2c1C 63962472 ATLBRLYOZDDPHQ-UHFFFAOYSA-N 324.380 4.781 30 20 DJED C[C@@H](C#N)Oc1ccc(CN2CCCCC[C@@H]2c2ccco2)cc1 93441662 ROHFNBXRXAFVME-QFBILLFUSA-N 324.424 4.688 30 20 DJED C=CCS[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 114757331 AXRKVLNOWIBKPR-QMMMGPOBSA-N 323.767 4.605 30 20 DJED C=CCC(CC=C)C(=O)N1Cc2ccccc2-c2ccccc2C1 129885793 OFUZBAHJCIGERN-UHFFFAOYSA-N 317.432 4.964 30 20 DJED C[C@@H](CCc1ccccc1F)Nc1ccccc1O[C@@H](C)C#N 162270546 OMOXRGSHXJIUCO-GJZGRUSLSA-N 312.388 4.550 30 20 DJED N#C[C@@H]1CC[C@@H](Sc2nnc(-c3cccc4ccccc34)o2)C1 278485471 AKEQSZLLAOMGFO-TZMCWYRMSA-N 321.405 4.674 30 20 DJED CCCC[C@@H](C)C(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 410074362 LGJAOEXYMZDAEW-HWWITLHISA-N 316.489 4.524 30 20 DJED CC(C)[C@@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)c1ccccc1 425631662 BSHRYVQGJPAASG-OXQOHEQNSA-N 320.436 4.517 30 20 DJED C=CCC[C@@H](Nc1cnn(-c2ccccc2)c1C)c1ccco1 428456932 IYLQHRZKBHQKHY-QGZVFWFLSA-N 307.397 4.893 30 20 DJED C=Cc1ccc(C(=O)Nc2ccccc2SCCC#N)cc1 429985624 DEEZXJCJZVNWMP-UHFFFAOYSA-N 308.406 4.588 30 20 DJED C=CCC[C@H](NC(=O)c1cccc2cnccc12)c1ccccc1 435272854 TZMHAUPCOJXSTO-FQEVSTJZSA-N 316.404 4.672 30 20 DJED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1oc2ccccc2c1CC 436296057 QWRAMFJYUOMREH-DOXZYTNZSA-N 313.441 4.627 30 20 DJED N#Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)s1 486822456 JJNCVIMORDMNOI-UHFFFAOYSA-N 320.373 4.664 30 20 DJED C=CCC[C@H](C(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 487586852 VTEAPKFYLZINRH-IBGZPJMESA-N 307.393 4.578 30 20 DJED CC(C)(C#N)CC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 498291040 DSBOLTWMSNQFLT-INIZCTEOSA-N 318.848 4.724 30 20 DJED N#Cc1cc(Cl)ccc1N[C@@H]1CCSc2c(F)cccc21 511383106 XIFFFOILFOLENP-OAHLLOKOSA-N 318.804 5.000 30 20 DJED C=CCOc1ccc(CNCc2cc3c(C)c(C)ccc3[nH]2)cc1 512537404 RYESCQMTXKOKOG-UHFFFAOYSA-N 320.436 4.639 30 20 DJED CCc1ccc([C@H](C)CC(=O)Nc2scc(C)c2C#N)cc1 518433917 TYZWCCFEHINCCB-GFCCVEGCSA-N 312.438 4.623 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1ccccc1OC(C)C 519066282 ZVJLBBVREWNPIB-UHFFFAOYSA-N 322.452 4.758 30 20 DJED C=CC1CCN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CC1 522071164 BOAQHMXBAYNCSP-UHFFFAOYSA-N 318.420 4.688 30 20 DJED C=CCN[C@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 532048075 OMZAXBCPXLZPGK-QGZVFWFLSA-N 305.393 4.552 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc2ccccc2n1)c1ccccc1 534639877 VPCFPLFLTIKLBC-HNNXBMFYSA-N 302.377 4.533 30 20 DJED CC1(C)CC[C@@H](NC2(c3cccc(C#N)c3)CC2)c2ccccc21 560261537 ZMXXMDIIYSGPCP-HXUWFJFHSA-N 316.448 4.950 30 20 DJED CC(C)CN(C(=O)CCCCCC#N)c1cccc(Cl)c1 590884874 PVKFZMNOAZCTLU-UHFFFAOYSA-N 306.837 4.803 30 20 DJED Cc1cc(F)ccc1-c1ccc(/C=C\c2ccc(C#N)cn2)o1 609642240 GDPCYNOBRAFKBY-WAYWQWQTSA-N 304.324 4.831 30 20 DJED CCCCCCCC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730417239 NVDMYYDKXUASEJ-CYBMUJFWSA-N 318.417 4.972 30 20 DJED C=CC1CCN(C(=S)Nc2ccc(Cl)cc2Cl)CC1 731942894 UQTOSXMYXROYBG-UHFFFAOYSA-N 315.269 4.588 30 20 DJED CCOc1ccc(C=Nc2ccc(CC(F)(F)F)cc2)c(O)c1 741466118 FGIKFMRDJZOCNO-UHFFFAOYSA-N 323.314 4.646 30 20 DJED Cc1cccc(C(=O)/C=C/c2ccc(OCC(F)F)cc2)c1 741852096 JPYGFJFJTNNOOG-JXMROGBWSA-N 302.320 4.535 30 20 DJED CCn1nc(C)c(C(=O)/C=C\c2cc(Cl)cc(Cl)c2)c1C 750911069 XFFOHLZPIYRTQH-WAYWQWQTSA-N 323.223 4.723 30 20 DJED C#CCCCC(=O)N[C@@H](CCC=C)c1ccc(C(F)(F)F)cc1 758856976 VNSDCCQKPRJKQN-INIZCTEOSA-N 323.358 4.632 30 20 DJED Cc1cc(/C=C/C(=O)c2ccc(F)c(Cl)c2)cnc1Cl 760264285 RFVXOKPIOVOVLS-GORDUTHDSA-N 310.155 4.732 30 20 DJED C[C@@H](C#N)Oc1ccc(CN(Cc2ccccc2)C(C)(C)C)cc1 768140356 ZJQAGBUJHDZVGJ-KRWDZBQOSA-N 322.452 4.778 30 20 DJED CCC(C)(C)NC(=S)Nc1ccccc1S[C@@H](C)CC#N 774176954 OUIIAKJQQMTONV-LBPRGKRZSA-N 321.515 4.556 30 20 DJED Cc1ccc(-c2c[nH]cc2C(=O)OCCCC(C)(C)C#N)s1 784830465 RNRQDBLGEHEYGW-UHFFFAOYSA-N 316.426 4.538 30 20 DJED C=CCCCCC[C@@H](C)N[C@H](C)c1cccc(NC(C)=O)c1 793516670 LOWAXHQDVGVBRN-HZPDHXFCSA-N 302.462 4.821 30 20 DJED CC(C)Sc1cccc(Cl)c1C=NNc1cccc(F)n1 795006092 CVDMUPPIXSRAHA-UHFFFAOYSA-N 323.824 4.821 30 20 DJED COc1cc(C)ccc1C(=O)/C=C/c1ccc(OC(F)F)cc1 797280118 ZTHSGNPAJACWJD-UXBLZVDNSA-N 318.319 4.501 30 20 DJED Cc1ccc2c(C(=O)OCC(C)(C)CCC#N)csc2c1 798879216 HCZZPGORXSPWLS-UHFFFAOYSA-N 301.411 4.697 30 20 DJED C[C@@H]1/C(=C/c2ccc([N+](=O)[O-])c(Cl)c2)C(=O)c2ccccc21 809159091 IAAVEHRCGAMMNC-WULZRQGASA-N 313.740 4.632 30 20 DJED CC1(C)C[C@H](NN=C2CCCC[C@H]2C2CCCCC2)CCO1 814908302 MWIBFZXJQZFNHR-SJORKVTESA-N 306.494 4.660 30 20 DJED C=CC[C@@H](NCc1ccc(OCCC)cc1C)c1ccncc1 850137655 RVFHGJIYXPVNMF-HXUWFJFHSA-N 310.441 4.586 30 20 DJED C[C@@H](CCC#N)CNc1cccc(CC[C@@H](O)c2ccccc2)c1 876859909 OMBFNHRMMHDOSN-LAUBAEHRSA-N 322.452 4.705 30 20 DJED CC(C)Oc1ccccc1/C=C\C(=O)c1c[nH]c2ccccc12 915271166 MTDWESAWFOYTAD-QXMHVHEDSA-N 305.377 4.851 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)CCC2 1167240864 MJPWYTMRPVEPOY-UHFFFAOYSA-N 318.464 4.705 30 20 DJED N#Cc1nc(Nc2cccc(NC3CCCC3)c2)ccc1Cl 1185430322 ZNMBDDMSTDKIFH-UHFFFAOYSA-N 312.804 4.705 30 20 DJED CCC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 1214367948 MWWJLYKXOPLMCB-LRDDRELGSA-N 319.836 4.692 30 20 DJED CCCC[C@@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1264129370 OZMXYLHYOWTXPT-NWDGAFQWSA-N 304.459 4.509 30 20 DJED CCSc1ccc([C@@H](C)NCCc2ccc(C#N)cc2)cc1 1307609704 BKFHLOYRNKHIMO-OAHLLOKOSA-N 310.466 4.564 30 20 DJED C[C@@H](CNCc1ccc(C#N)c(Cl)c1)c1cccc(Cl)c1 1308714253 PPOCHRWIDXQCOJ-LBPRGKRZSA-N 319.235 4.758 30 20 DJED Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@]1(C#N)CC12CCCC2 1435140281 YARRWOOAFNWBOK-WIYYLYMNSA-N 324.468 4.673 30 20 DJED CCCN(C(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1F 1461583359 KAZFFRRBDAKILK-QGZVFWFLSA-N 324.399 4.656 30 20 DJED Cc1cc(C)c(NC2CCC(C)(C#N)CC2)cc1Br 1462132043 RXWLDFZCTGTORZ-UHFFFAOYSA-N 321.262 4.950 30 20 DJED CCc1ccc(N(CC(C)C)C(=O)c2ccc(C)c(C#N)c2)cc1 1539107279 WIQCQFFFFJDYIO-UHFFFAOYSA-N 320.436 4.732 30 20 DJED CC1(C#N)CCC(NCC2(c3cccc(Cl)c3)CCC2)CC1 1560561062 BGDCIXRCEYTVMS-UHFFFAOYSA-N 316.876 4.824 30 20 DJED N#CC1(CN[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CCC1 1560890929 UNQKGZHCMKNUCQ-CVEARBPZSA-N 322.374 4.625 30 20 DJED Cc1cccc(-n2c(-c3ccccc3)cnc2SCC#N)c1C 1640766643 ZXJCGGVQTAHBRM-UHFFFAOYSA-N 319.433 4.772 30 20 DJED C[C@H](Nc1nc(C(C)(C)C)ccc1C#N)c1cccc(F)c1F 1642468303 CJUDILSGYTUPHD-NSHDSACASA-N 315.367 4.702 30 20 DJED C[C@H]1C[C@@H](CCNc2nc(Cl)c(C#N)s2)CC(C)(C)C1 1651022697 JAIAPQUKZBZRBN-WDEREUQCSA-N 311.882 4.933 30 20 DJED Cc1ccc([C@@H]2[C@@H](C)CCCN2c2cccc(F)c2C#N)cc1 1651574130 FJFVVKNZBVPIBF-YWZLYKJASA-N 308.400 4.983 30 20 DJED CC(C)[C@@H](Cc1ccc(F)cc1)NCCC1(C#N)CCCCC1 1653980329 FKIKMNAKMFPFMZ-LJQANCHMSA-N 316.464 4.847 30 20 DJED CN(Cc1ccc(C#N)cc1Cl)[C@H]1CCC[C@H]1C(C)(C)C 1654775038 LDXFSWKDLVSTJO-WBVHZDCISA-N 304.865 4.858 30 20 DJED CC(C)CC[C@H]1CC[C@H](NCc2ccc(C#N)c(Cl)c2)C1 1656146953 ZDIDZRMRCIWAJW-YOEHRIQHSA-N 304.865 4.906 30 20 DJED N#Cc1ccc(CSc2nc3cc(F)ccc3s2)cc1 1656867376 FQRSJYWCFQATMW-UHFFFAOYSA-N 300.383 4.599 30 20 DJED CC(C)(CC#N)CN[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 1664967213 WZSGBPUFMCFHJF-WBVHZDCISA-N 304.865 4.896 30 20 DJED Cc1cc2cc(C=NNc3cccc(C(=O)O)c3C)oc2cc1C 1776087174 MAAFIRUUSLRWIF-UHFFFAOYSA-N 322.364 4.502 30 20 DJED C=CCCO[C@H](C)C(=O)Nc1cccc(CSC(C)C)c1C 173368839 AXTVQALVIWJXAK-OAHLLOKOSA-N 321.486 4.556 30 20 DJED C[C@H](Nc1ccc2nc(C3CC3)oc2c1)c1cccc(C#N)c1 182892454 BAYRFUYTYDYSSL-LBPRGKRZSA-N 303.365 4.750 30 20 DJED CCSc1cccc(CN[C@H](CCC#N)c2ccccc2)c1 185604381 DSWGOBHFPWYNAB-LJQANCHMSA-N 310.466 4.933 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1ccc(Cl)s1 277289139 MJIKXLVVKYZZDT-LBPRGKRZSA-N 317.882 4.695 30 20 DJED CC(C)(C#N)CCCC[S@](=O)[C@H]1CCc2c(Cl)cccc21 277942302 QOBVJGACDBZPSJ-KKSFZXQISA-N 323.889 4.796 30 20 DJED C#Cc1cccc(N(C)Cc2csc(-c3ccccc3F)n2)c1 303213160 SCNIONBLZJJEIU-UHFFFAOYSA-N 322.408 4.567 30 20 DJED CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(CC#N)cc2)cc1 428340935 SVEUWPHNGAFITD-INIZCTEOSA-N 320.436 4.693 30 20 DJED C=C(C)COc1cccc(NC(=O)N2CC(C)(C)[C@H]2C(C)C)c1 432841115 SOCVARBOQKYKQB-QGZVFWFLSA-N 316.445 4.540 30 20 DJED C=CCC[C@H](NC(=O)[C@@H](CC)CC(F)(F)F)c1ccccc1 450179014 BUYQUTFZHJYVJL-ZFWWWQNUSA-N 313.363 4.789 30 20 DJED C[C@H](Cc1c(Cl)cccc1Cl)N[C@@H]1CCC[C@H](C#N)C1 463233794 FEFQJFAEWCDFFQ-FRRDWIJNSA-N 311.256 4.596 30 20 DJED CC(C)c1ccc([C@@H](C)CC(=O)N[C@@](C)(C#N)C(C)(C)C)cc1 464158800 PUFNBRNPUCKLJT-YWZLYKJASA-N 314.473 4.748 30 20 DJED N#CCSCCCN1CCCCC[C@H]1c1ccc(Cl)cc1 466725784 YYTJLGSKJKANID-KRWDZBQOSA-N 322.905 4.904 30 20 DJED C=CCC(CC=C)c1nc(-c2ccc(N3CCCC3)cc2)no1 482552114 BSWPFCLXNZHTQQ-UHFFFAOYSA-N 309.413 4.573 30 20 DJED C=C(C)[C@H](NC(=O)N1CCCC[C@H]1CC)c1ccc(F)c(F)c1 483286986 AOALHQPLJXIQDT-PBHICJAKSA-N 322.399 4.556 30 20 DJED C=CCC(CC=C)C(=O)N(Cc1cccc(F)c1)C(C)(C)C 484296091 WYQRQRWITWUYMS-UHFFFAOYSA-N 303.421 4.721 30 20 DJED C=CCC1(C(=O)Nc2cc(OC)ccc2OCCCC)CCC1 485580164 XHOYTGSDPRMHAP-UHFFFAOYSA-N 317.429 4.559 30 20 DJED Cc1ccc(NCc2cc(C#N)ccc2Br)cc1C 492763575 AMDXCAJYSULYTI-UHFFFAOYSA-N 315.214 4.550 30 20 DJED Cc1cccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c1C 498475335 FEGRERVBZNAOCQ-LJQANCHMSA-N 320.436 4.596 30 20 DJED Cc1oc(C(C)C)cc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 505609695 ZWTNEOZFEWVTLC-UHFFFAOYSA-N 310.397 4.765 30 20 DJED Cc1cc([C@H](N[C@H](C)c2cccc(C#N)c2)C2CC2)ccc1F 538408639 JWTOBICVHDVWGJ-JLTOFOAXSA-N 308.400 4.808 30 20 DJED COc1cc(C)ccc1[C@@H](C)N[C@@H](CCC#N)c1ccccc1 540148406 MXXDXJXLWKURAC-APWZRJJASA-N 308.425 4.699 30 20 DJED N#CCCCCCC(=O)Nc1ccccc1CCC(F)(F)F 588755345 DOGUDMOBFZSSAG-UHFFFAOYSA-N 312.335 4.594 30 20 DJED Cc1ccc(CNc2ccccc2SC[C@H](C)C#N)cc1F 600554397 FDHYRGPUBZCWSJ-CYBMUJFWSA-N 314.429 4.998 30 20 DJED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CC3CC3)c2C#N)C1 603564346 ABMFIXDJRWJHKF-GFCCVEGCSA-N 316.470 4.509 30 20 DJED C=CCCCS[C@H](C)C(=O)Nc1cc(Cl)ccc1F 609805221 WEPHOIIRVPZHKN-SNVBAGLBSA-N 301.814 4.506 30 20 DJED C=CCN(CC=C)C(=O)c1ccc(SCc2ccccc2)cc1 614560663 DBLIHYCVOONDHN-UHFFFAOYSA-N 323.461 4.793 30 20 DJED Cc1cccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)c1C 726433421 GZHUOIWAXYMZPY-UHFFFAOYSA-N 315.829 4.637 30 20 DJED CCOc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2)cc1OC 730435950 DLWWRXUHYOGLTL-SOFGYWHQSA-N 310.393 4.607 30 20 DJED C[C@@H](C#N)CSc1ccccc1NC(=O)/C=C/c1ccccc1 730990563 ZWHFZXLLQVWZLW-RUMSDORHSA-N 322.433 4.590 30 20 DJED COc1cccc(/C=C\C(=O)c2cccc(Cl)c2Cl)c1 734980325 JJTDORHTMHRQRG-HJWRWDBZSA-N 307.176 4.898 30 20 DJED CCCCCCCCCN(C)C(=O)N[C@@H](C)c1ccccn1 744305396 NTUQHZSOTJFBLH-INIZCTEOSA-N 305.466 4.535 30 20 DJED C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1O 747063579 NGDDYEYOXJHWLR-MDZDMXLPSA-N 322.404 4.642 30 20 DJED N#CCc1ccccc1Cc1nc(C2CCCCCCC2)no1 762358928 VADCZKWRBYREGB-UHFFFAOYSA-N 309.413 4.554 30 20 DJED COCc1ccc(/C=C2/C(=O)c3cccc4c3[C@H]2CCC4)cc1 763288682 IQBRNKUMXRLBJS-DAQNXSASSA-N 304.389 4.533 30 20 DJED C#CCCCCCC(=O)OCc1ccccc1Oc1cccnc1 780259251 VTBDJXWFYRTYGE-UHFFFAOYSA-N 323.392 4.501 30 20 DJED CC(C)C(C)(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 784057834 YDKMIJAFGIFVDN-IBGZPJMESA-N 320.436 4.963 30 20 DJED O=C(/C=C/c1ccnc(Cl)c1Cl)c1cccc(Cl)c1 791435103 PAPSSALCEWYWGV-SNAWJCMRSA-N 312.583 4.938 30 20 DJED N#CC[C@H](CC(=O)Nc1ccc2ccccc2c1)c1ccccc1 792763936 ZAHJPOBPVXIDRU-LJQANCHMSA-N 314.388 4.866 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2ccc(C(F)F)cc2)cc1F 794946438 OFOXJEVMPDZCCN-FPYGCLRLSA-N 301.267 4.531 30 20 DJED COc1ccccc1CON=C[C@H](C)c1cccc(Cl)c1 799118286 XXVXFGSIGBUVOQ-ZDUSSCGKSA-N 303.789 4.655 30 20 DJED C=CCCOCCCCC(=O)O[C@H]1CCc2cc(Cl)ccc21 803420437 HGPUEYQUGMHWSY-KRWDZBQOSA-N 322.832 4.634 30 20 DJED C[C@H](OC(=O)CCCC#N)c1ccc(SC(F)(F)F)cc1 813084654 UZPRVLYDGBBCFN-JTQLQIEISA-N 317.332 4.597 30 20 DJED N#CCCSc1ccccc1NCC[C@@H]1CC1(Cl)Cl 819069748 XLWSJPALPNMHIR-LLVKDONJSA-N 315.269 4.688 30 20 DJED CCCCCCCC(=O)Nc1cccc(N2CCCCC2=O)c1 914780956 NRGYLRFOMGKRPR-UHFFFAOYSA-N 316.445 4.503 30 20 DJED Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OC(F)F)o1 915988601 XEPXGNJRXRSKMK-HWKANZROSA-N 312.699 4.739 30 20 DJED CCOc1ccc(C=Nc2ccc(N3CCCCC3)cc2)c(O)c1 920943068 ZJTVOCKSIDAIIY-UHFFFAOYSA-N 324.424 4.532 30 20 DJED C[C@H](c1ccccc1Cl)N(CCc1ccc(C#N)cc1)C1CC1 1190837340 CTFLNPDMRAYRHS-OAHLLOKOSA-N 324.855 4.980 30 20 DJED CCCC[C@H](C)N(CCCC)C(=O)Nc1cccc(C#N)c1 1197549872 JKUGFGCQRBKVDS-HNNXBMFYSA-N 301.434 4.771 30 20 DJED CCCc1c(N[C@H]2CCC[C@H](C#N)C2)cnn1-c1ccc(C)cc1 1205405392 HXLYDWAEQGFWSU-IRXDYDNUSA-N 322.456 4.628 30 20 DJED CCC[C@H](c1ccccc1)c1nnc(-c2cccc(C#N)c2)o1 1341641113 ZNDQNAVFVLBTDI-QGZVFWFLSA-N 303.365 4.540 30 20 DJED C[C@@H](OC(=O)C1(c2ccccc2)CCCC1)c1ccc(C#N)cc1 1457188478 BGDDDCVVBWNAKN-MRXNPFEDSA-N 319.404 4.674 30 20 DJED Cc1cccc(C2(CNCc3ccc(C#N)cc3F)CCCC2)c1 1461128169 LWVGKRIDBZWVFF-UHFFFAOYSA-N 322.427 4.607 30 20 DJED Cc1c(C)c(C)c(CNC2(c3cccc(C#N)c3)CC2)c(C)c1C 1473465542 RGSYKRUXZIVZEA-UHFFFAOYSA-N 318.464 4.879 30 20 DJED Cc1cc(C)c(C#N)c(N[C@H](C)c2cc3ccccc3s2)n1 1515151400 UMXHXPBFYFNPPS-CYBMUJFWSA-N 307.422 4.958 30 20 DJED N#CC1(CC(=O)N2CCCCCc3ccccc32)CCCCC1 1523835262 PNDCBLYPZABVDT-UHFFFAOYSA-N 310.441 4.610 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(C(C)(C)C)cc1 1529667255 UZOKWQHBLFADOC-OAHLLOKOSA-N 320.436 4.689 30 20 DJED Cc1c(C(=O)O[C@H](C)c2cccc(C#N)c2)oc2ccc(F)cc12 1533357873 RYLUTSHJEQZJDB-GFCCVEGCSA-N 323.323 4.670 30 20 DJED CCCC(C)(C)NC(=O)Nc1scc(C(C)(C)C)c1C#N 1625092414 YUGXLZYSEXROTJ-UHFFFAOYSA-N 307.463 4.617 30 20 DJED Cc1ccc(C2(CNc3ccc(C#N)c(C)n3)CCCC2)c(C)c1 1651106182 KNLXNGYNBUACNG-UHFFFAOYSA-N 319.452 4.802 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1ccc(C#N)cc1Cl 1652903430 QGRLFRPVXGKCQK-UHFFFAOYSA-N 317.175 4.624 30 20 DJED CCC(CC)n1ccc(COc2c(C)cc(Cl)cc2C#N)n1 1656654812 KVOMPOCQEJRIGY-UHFFFAOYSA-N 317.820 4.657 30 20 DJED C=CCN(C(=O)CSc1ccc(Cl)cc1)c1ccccc1 61264345 RETCPWGKUJWDKG-UHFFFAOYSA-N 317.841 4.651 30 20 DJED CCCCCCCCC(=O)Nc1ncc(Br)s1 106000036 OPSRIFMIGGYANA-UHFFFAOYSA-N 319.268 4.595 30 20 DJED CC(C)C[C@H](C)CC(=O)Nc1ccccc1SCCC#N 108201030 RXZPSWAYGZTMJL-AWEZNQCLSA-N 304.459 4.703 30 20 DJED COc1cccc(/C=C\C(=O)c2ccc(C)cc2)c1OC(C)C 111690918 IKENRBLRWOVPNL-SEYXRHQNSA-N 310.393 4.687 30 20 DJED CCO[C@@H](C)c1nc(CSCc2ccccc2C#N)cs1 122780254 SYDRBQUMJVWQSB-LBPRGKRZSA-N 318.467 4.546 30 20 DJED N#Cc1csc(CNc2cccc(CCC(F)(F)F)c2)c1 151048725 FCWPHZFNBOMJOB-UHFFFAOYSA-N 310.344 4.727 30 20 DJED C#Cc1cccc(NC(=O)c2sccc2-c2ccccc2)c1 252018234 WUUMXPJYGVXLJH-UHFFFAOYSA-N 303.386 4.649 30 20 DJED COc1ccc(-c2csc(NN=C(C)c3ccccc3)n2)cc1 254393490 MGDONCFXSNOGFF-UHFFFAOYSA-N 323.421 4.655 30 20 DJED C=CC[C@@H](CC)N[C@@H](C)c1sc(-c2cccnc2)nc1C 281451583 DIMOOKJLQTVPSA-SWLSCSKDSA-N 301.459 4.519 30 20 DJED COc1ccc([C@H]2CCCN2c2cc(Cl)ccc2C#N)cc1 301257622 DUFIZGHDYMIWOD-QGZVFWFLSA-N 312.800 4.562 30 20 DJED OC(CC1CCC(c2ccccc2)CC1)=Nc1nncn1C1CC1 329102879 FVQFUTOWVZWDNC-UHFFFAOYSA-N 324.428 4.565 30 20 DJED CC(C)C[C@H](/N=C(/O)C[C@@H]1CCCC(O)=N1)c1cccs1 329328675 KOEJIRFZTXYUOB-STQMWFEESA-N 308.447 4.691 30 20 DJED Cc1ccc([C@H]2OCCC[C@H]2C(O)=Nc2scnc2C)cc1 329933174 JDAOFVOYBXQDOG-HUUCEWRRSA-N 316.426 4.516 30 20 DJED N=C(O)[C@@H]1CCC[C@@H](/C(O)=N/[C@@H]2CCCc3ccc(F)cc32)C1 330020501 AHKLJHMBGUMABW-XJKCOSOUSA-N 318.392 4.501 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CC=CC[C@H]1C 341145471 ALUWMSKZYLTXKM-KFWWJZLASA-N 314.454 4.622 30 20 DJED C[C@@H](NC1CCC(C)(C#N)CC1)c1nc(C(C)(C)C)cs1 449130061 XDYKYLMHUBFHJW-SFYCDEOASA-N 305.491 4.564 30 20 DJED N#CC1(CN(Cc2cccs2)Cc2cccs2)CCC1 450214806 ZOVDSPHELJNYEA-UHFFFAOYSA-N 302.468 4.506 30 20 DJED C=CCn1c(SCCC(C)(C)CC)nnc1-c1ccco1 463249230 DSCASCNEBWPSKQ-UHFFFAOYSA-N 305.447 4.643 30 20 DJED Cc1ccc(C#N)cc1NC(=O)C1CCC(c2ccccc2)CC1 463561757 HPJBMGQDICUENT-UHFFFAOYSA-N 318.420 4.779 30 20 DJED C[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CCCCC1 465995454 QEITYAGYJAILNM-CQSZACIVSA-N 313.445 4.578 30 20 DJED C=CC[C@H](CC)NC(=O)N1CCC(c2ccc(Cl)cc2)CC1 466401043 XJXIOJZRUBPMJZ-KRWDZBQOSA-N 320.864 4.584 30 20 DJED C=CCCN(C)C(=O)N[C@H](C)c1ccccc1Oc1ccccc1 467013271 MSMJLGRVJNSXDY-MRXNPFEDSA-N 324.424 4.757 30 20 DJED C=CCOc1ccc(CN(C(=O)CCC2CC2)C(C)(C)C)cc1 467875677 QBGQZWZRKUDFMG-UHFFFAOYSA-N 315.457 4.569 30 20 DJED C=CCCOCCCCC(=O)N1CCCC2(CCCCC2)CC1 469975086 VCXFTOAGLWENPZ-UHFFFAOYSA-N 321.505 4.712 30 20 DJED C[C@H](N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1ccc(C#N)cc1 479485842 DXJMDEVMKZBMNF-ADLFWFRXSA-N 308.400 4.684 30 20 DJED C=CCCCC(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 479514662 GNPRYUKTKBKBCT-CYBMUJFWSA-N 314.454 4.652 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)[C@H](C)CC1CCCC1 510470128 HJCRRBYETGGWSM-OAHLLOKOSA-N 303.421 4.557 30 20 DJED C=CCC[C@H](NCc1cccc(NC(=O)[C@@H](C)CC)c1)C1CC1 539092597 CEEJJOBKQQVXNB-KXBFYZLASA-N 314.473 4.506 30 20 DJED Cc1ccsc1[C@H](Cc1ccccc1)NCCC(C)(C)C#N 541595506 AQKVFFAEHRHHGX-KRWDZBQOSA-N 312.482 4.870 30 20 DJED C[C@H](Nc1ccc(C#N)cn1)c1ccc(-c2cccc(C#N)c2)cc1 542966147 HHVJUYMCXXQEKM-HNNXBMFYSA-N 324.387 4.665 30 20 DJED CC[C@H](CC(F)(F)F)NCc1ccc(F)cc1C(F)(F)F 546972318 AKIWBNXAQDUSCA-SNVBAGLBSA-N 317.248 4.665 30 20 DJED C=CCCc1ccccc1NCc1ncc(CSC)s1 559302955 FVOKBCGSVHTWPU-UHFFFAOYSA-N 304.484 4.737 30 20 DJED Cc1ccccc1[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)C1CC1 562090457 TYWUQNYZHNLUNP-RTWAWAEBSA-N 302.421 4.595 30 20 DJED CC(C)(C)c1ccc([C@H]2CCCN2Cc2ccc(C#N)cn2)cc1 565634537 CGLQHJKGRIALTI-HXUWFJFHSA-N 319.452 4.588 30 20 DJED C[C@@H](NCc1c(Cl)ccc2cccnc12)c1ccc(C#N)cc1 567525119 XLODUGCQQKJRRC-CYBMUJFWSA-N 321.811 4.611 30 20 DJED C[C@@H](Cc1ccsc1)N[C@@H](C)c1ccc(C#N)cc1Cl 570235636 LIOBDEUFTHICLX-RYUDHWBXSA-N 304.846 4.555 30 20 DJED C=CCSc1ccccc1C(=O)NCCC(C)(C)C1CC1 571174901 LHQJNHXYJWPFCI-UHFFFAOYSA-N 303.471 4.521 30 20 DJED Cc1cc([C@@H](N[C@H]2CCc3ccc(C#N)cc32)C2CC2)ccc1F 578472525 BNGRIOJPNCCEKO-SFTDATJTSA-N 320.411 4.734 30 20 DJED C[C@@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1cccc2ccccc12 582578590 OGPXEMQQKLSZST-CYBMUJFWSA-N 317.348 4.793 30 20 DJED N#CCCCCCC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 588164402 NGXIVZLUYZDFAM-UHFFFAOYSA-N 318.726 4.771 30 20 DJED C[C@@H](N[C@@H]1CCc2cc(F)c(Cl)cc21)c1cccc(C#N)c1 599026469 BBYMAKHOBDVYJZ-ADLMAVQZSA-N 314.791 4.689 30 20 DJED N#Cc1c(NC(=O)CCCC2CCCCC2)sc2c1CCC2 602754344 CAQYMRURGNPHEB-UHFFFAOYSA-N 316.470 4.798 30 20 DJED CC(C)=C[C@H]1[C@H](C(=O)N(Cc2ccc(C#N)cc2)C(C)C)C1(C)C 603527625 XFDOSHUEDUCZOP-RBUKOAKNSA-N 324.468 4.534 30 20 DJED COc1c(C)cnc(CSc2ccc(Cl)cc2C#N)c1C 610655104 PIWXYHALXWYVAI-UHFFFAOYSA-N 318.829 4.524 30 20 DJED N#C[C@@H](Cc1ccccc1)Nc1ccccc1CCC(F)(F)F 610680943 MZTSAAIXBXHINR-MRXNPFEDSA-N 318.342 4.728 30 20 DJED C=CCCC(CC)=NNc1ccc(OCC(F)(F)F)cc1 727258014 OTKNDFICSCVTLW-UHFFFAOYSA-N 300.324 4.772 30 20 DJED C#Cc1cccc(N(C)C(=O)C[C@H](CC)c2ccc(C)cc2)c1 737541943 WBJOOQASBQKDNQ-SFHVURJKSA-N 305.421 4.523 30 20 DJED CC(CCc1ccc(C)cc1)=NNc1cccc(C(F)(F)F)n1 739421880 QBLFZXJMJCVERU-UHFFFAOYSA-N 321.346 4.829 30 20 DJED O=C(/C=C/c1cccc(O)c1)c1cc(Cl)ccc1OC(F)F 748441959 OCYQEFZMFKYNOA-GQCTYLIASA-N 324.710 4.543 30 20 DJED CC(C)c1ncc(/C=C\C(=O)c2cccc(OC(F)F)c2)s1 758425691 GTUMWUCOTHBTOG-SREVYHEPSA-N 323.364 4.764 30 20 DJED C=C[C@H](CC(=O)O[C@H](C)c1cccc(C#N)c1)c1ccccc1 759307919 YXUQMVIJOGTMPO-NVXWUHKLSA-N 305.377 4.522 30 20 DJED Cc1cncc(C(=O)/C=C/c2ccc(F)c(Cl)c2Cl)c1 761485551 GSEAVIYINBZFFY-HWKANZROSA-N 310.155 4.732 30 20 DJED C=CC[C@@H](N[C@@H](C)c1cccc(OC(F)F)c1)c1ccncc1 766021465 TWRQRUHYNMQBGE-SUMWQHHRSA-N 318.367 4.651 30 20 DJED CC(C)(C#N)c1ccccc1COc1ccc(C=O)cc1Cl 767827872 JLUANSAGMGWZGX-UHFFFAOYSA-N 313.784 4.533 30 20 DJED C#CCCCCCC(=O)N(C)Cc1c(Cl)cccc1Cl 779815487 AMYOBORKHJIDRS-UHFFFAOYSA-N 312.240 4.536 30 20 DJED C[C@H](C#N)OCCSCc1sc2ccccc2c1Cl 802750019 UYNSVCRTACQBQQ-SNVBAGLBSA-N 311.859 4.717 30 20 DJED COc1cc(C(=O)/C=C\c2csc3ccccc23)ccc1O 810223035 BSDSQYRORXQGBH-FPLPWBNLSA-N 310.374 4.512 30 20 DJED CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2csc(C)c2)c1 834650659 OWLMCSFGSVPSAR-WMLDXEAASA-N 314.454 4.588 30 20 DJED C=CCC1(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)CCCC1 835388817 WTUFLUSPYLDXAL-ZDUSSCGKSA-N 316.470 4.753 30 20 DJED CC(=NNc1ccccn1)c1ccc(SC2CCCC2)cc1 914691951 KGOBTRJEZQGQIF-UHFFFAOYSA-N 311.454 4.952 30 20 DJED CC(=NNc1ccc2ccccc2n1)c1cc2ccccc2o1 916285775 HIIPCWVVKIIUAP-UHFFFAOYSA-N 301.349 4.817 30 20 DJED CCOc1ccc(C=Nc2cccc(N3CCCCC3)c2)c(O)c1 920174419 LZEJDPDMUSNLPI-UHFFFAOYSA-N 324.424 4.532 30 20 DJED Cc1cccc(C(=O)/C=C\c2ccc(OCC(F)(F)F)cc2)c1 921259474 UOHLYTCNTZQJDT-YFHOEESVSA-N 320.310 4.832 30 20 DJED C[C@H]1C[C@@H](N(CCC#N)Cc2ccco2)c2ccsc2S1 1205081823 KZVZWTDIIIYFDW-SWLSCSKDSA-N 318.467 4.682 30 20 DJED N#Cc1ccc(CCSc2ccccc2Br)cc1 1307276868 FLMWXVXPCITCHA-UHFFFAOYSA-N 318.239 4.656 30 20 DJED N#Cc1ccc(CN2CC3(CCCC3)c3cccc(F)c32)s1 1307678147 DKQOZCCCLBAQPI-UHFFFAOYSA-N 312.413 4.591 30 20 DJED CCCCCCCCC(=O)Nc1ccnn1Cc1ccsc1 1317808368 WEEXCZXJSFJKFW-UHFFFAOYSA-N 319.474 4.682 30 20 DJED N#CCOc1ccc(N[C@H](CC2CCC2)c2ccccc2)cc1 1319863582 LSOSZZVJAULSLQ-HXUWFJFHSA-N 306.409 4.932 30 20 DJED C=C(CC(C)C)C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 1350841667 IIDYWKLRAQAWRB-OAHLLOKOSA-N 314.454 4.562 30 20 DJED Cc1ccc(C(=O)Nc2cccc(C#N)c2C)c(Cl)c1Cl 1355857354 IQMSVRUCXHUDRC-UHFFFAOYSA-N 319.191 4.734 30 20 DJED CCCCc1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)cc1 1361169130 WPXTYMNOEXYCRG-OAHLLOKOSA-N 307.393 4.819 30 20 DJED CCC(CC)(CC)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1526613187 OAAHQJINRSXCGI-UHFFFAOYSA-N 316.445 4.890 30 20 DJED CN(C(=O)[C@]1(C#N)CC12CCCC2)C1CC(C)(C)CC(C)(C)C1 1528078651 ROUHUMPWTIEWAO-HXUWFJFHSA-N 316.489 4.524 30 20 DJED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(-c3ccccc3)cc2)C1 1528081087 LRSQQCHJFHSWHF-HNAYVOBHSA-N 305.377 4.593 30 20 DJED Cc1ccc(C)c2c(C)c(C(=O)O[C@@H]3CCC[C@H](C#N)C3)oc12 1528490093 OOFFIJYBZPXYTO-LSDHHAIUSA-N 311.381 4.597 30 20 DJED Cc1cc(C#N)ccc1CN1CCCc2ccc(Cl)c(C)c21 1559614128 JGCSBLQFHNKJPO-UHFFFAOYSA-N 310.828 4.781 30 20 DJED CN(C(=O)CCCC1CCCCC1)c1ccc(C#N)c(Cl)c1 1587816719 BKQMKBSGXGVHBY-UHFFFAOYSA-N 318.848 4.925 30 20 DJED CCC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(C#N)c(Cl)c1 1597460844 QKGWEMUTQSLYMV-XJKSGUPXSA-N 318.848 4.548 30 20 DJED Cc1nc(N[C@@H](C)c2cccc(Cl)c2Cl)ccc1C#N 1639513510 UFYBDBXAIDUBMC-JTQLQIEISA-N 306.196 4.742 30 20 DJED CCN(Cc1ccc2c(c1)CCC2)[C@H](C)c1ccc(C#N)cc1 1644388305 CNTIFHDRSGZPMG-MRXNPFEDSA-N 304.437 4.630 30 20 DJED N#Cc1c(F)cccc1N(Cc1ccc(Cl)cc1)C1CC1 1651397603 YPEPIHCVYWMGRI-UHFFFAOYSA-N 300.764 4.520 30 20 DJED Cc1nc(N[C@H]2c3ccccc3CC[C@@H]2C(C)C)ccc1C#N 1651725751 CUZBPGGJIUYQKC-YLJYHZDGSA-N 305.425 4.633 30 20 DJED CCCN(Cc1ccc(C#N)c(C)c1)[C@H]1CCc2ccccc2C1 1658355038 PSHPWXVONFDOEC-QFIPXVFZSA-N 318.464 4.636 30 20 DJED Cc1ccc([C@H]2C[C@H](C)CCN2Cc2cccc(F)c2C#N)o1 1663653170 MDDWZLQWUXTLCH-FZKQIMNGSA-N 312.388 4.572 30 20 DJED Cc1ccccc1CN(Cc1ccccc1)C[C@@H](C)CCC#N 1663703918 PESZRKYWIRHYQQ-SFHVURJKSA-N 306.453 4.937 30 20 DJED N#Cc1ccc(NCc2ccccc2Br)c(Cl)c1 62791046 RDFDVURBVSZXRK-UHFFFAOYSA-N 321.605 4.586 30 20 DJED C=CCOc1cccc(NC(=O)CCc2ccc(Cl)s2)c1 65749643 HSHQQILWSITSQY-UHFFFAOYSA-N 321.829 4.538 30 20 DJED O=C(/C=C/c1nc(-c2ccccc2)cs1)c1cccc(F)c1 78460525 KBPKEGOFJUJFBU-MDZDMXLPSA-N 309.365 4.845 30 20 DJED COc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1Cl 112525276 JZUFOZFPCCPXFY-STQMWFEESA-N 314.816 4.632 30 20 DJED C[C@H]1C[C@H](N[C@H](C)c2ccc(C#N)cc2)c2ccsc2S1 130431291 JPJGHXMOXGAION-OZVIIMIRSA-N 314.479 4.896 30 20 DJED C[C@@H](OC(=O)c1sc2ccccc2c1Cl)C(C)(C)C#N 131718259 ICODQUBTXHBAEN-SECBINFHSA-N 307.802 4.650 30 20 DJED C[C@@H](N[C@@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccc(C#N)cc1 154332411 CRRWAEKSYFPPOC-FZKQIMNGSA-N 324.399 4.650 30 20 DJED CC(C)n1cc(/C=C2\Cc3c(ccc(Cl)c3Cl)C2=O)cn1 171982030 BXIPXAFHNDODTM-VZUCSPMQSA-N 321.207 4.593 30 20 DJED CC(C)CCN(CCC#N)C(=O)Nc1ccccc1C(C)(C)C 176785257 LOXGTZUDLHRFNQ-UHFFFAOYSA-N 315.461 4.778 30 20 DJED CC(C)(C#N)CCC[S@@](=O)Cc1c(Cl)cccc1Cl 177113196 XXVWVAQRIGZOLC-LJQANCHMSA-N 318.269 4.572 30 20 DJED CC[C@@H](NCc1ccc(F)c(C#N)c1)c1cccc(Cl)c1 182587730 PPTKFDMBCCGSCZ-QGZVFWFLSA-N 302.780 4.592 30 20 DJED C[C@H](N[C@H](C)c1ccc(Cl)cc1)c1ccc(OCC#N)cc1 192933451 OAYUZGXPBXBELM-KGLIPLIRSA-N 314.816 4.654 30 20 DJED CCCc1sc(C(=O)N(CCC#N)CC(C)(C)C)cc1CC 303240485 JGMZWWFVHBKMBL-UHFFFAOYSA-N 320.502 4.665 30 20 DJED Cc1cc(C)cc(C(=O)/C=C/c2ccccc2OC(F)F)c1 303290605 KQWWAVVHQHTROG-BQYQJAHWSA-N 302.320 4.801 30 20 DJED N#Cc1sc(SCc2ccccc2Cl)nc1Cl 310259771 LRTIJJKHKHFZME-UHFFFAOYSA-N 301.223 4.614 30 20 DJED CC(C)c1nc([C@H](C)/N=C(/O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)n[nH]1 328934040 PWIYQTKGXDCUMY-ZQDZILKHSA-N 318.465 4.552 30 20 DJED Cc1ccncc1/C(O)=N/[C@H]1CC2(CCCC2)Oc2ccccc21 330154173 NIVZDEHGZLDEGI-KRWDZBQOSA-N 322.408 4.531 30 20 DJED Cc1oc(C(C)C)cc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 353745658 KJIJITHEUCNYMR-ZDUSSCGKSA-N 316.426 4.781 30 20 DJED C=C(C)CSc1nnc(-c2ccc(Cl)cc2)n1CCC 409818110 VAVSPRXZMNRKIE-UHFFFAOYSA-N 307.850 4.677 30 20 DJED C[C@@H](N[C@@H](CC(F)F)c1ccccc1)c1cccc(C#N)c1 421867577 BNXCQGOLGCPHJK-DYVFJYSZSA-N 300.352 4.605 30 20 DJED CC(C)c1ccc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)s1 425129743 MNXFUQOQWACOEP-ZDUSSCGKSA-N 312.438 4.576 30 20 DJED N#Cc1ccc(Oc2nc3cc(Cl)cc(Cl)c3o2)c(F)c1 432829058 MEXAFRJPZGOZKY-UHFFFAOYSA-N 323.110 4.938 30 20 DJED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(Cl)c(Cl)c1 435666619 ABTSGEFLDOOEPW-RBOXIYTFSA-N 314.256 4.625 30 20 DJED N#Cc1cc(F)ccc1CSc1nc(-c2ccccc2)co1 436247653 VFZADFXIUMCGTL-UHFFFAOYSA-N 310.353 4.645 30 20 DJED Cc1ccc(N[C@H](C)c2cccc(C#N)c2)cc1OCC(F)F 442775866 BIFTVFZUIJOHTQ-CYBMUJFWSA-N 316.351 4.684 30 20 DJED Cc1ccc(C[S@@](=O)CCCCC(C)(C)C#N)c(Cl)c1 447131264 FWZJOWQXNVWGSL-FQEVSTJZSA-N 311.878 4.617 30 20 DJED C[C@@H](Nc1ccc(Oc2ccccc2)c(C#N)c1)[C@H]1CCCOC1 474922134 GDCHTHCUGNILRP-CVEARBPZSA-N 322.408 4.578 30 20 DJED CCC1(CNC(=O)C[C@@H](CC#N)c2ccccc2)CCCCC1 476685615 HBYDRPFPCIVYIF-GOSISDBHSA-N 312.457 4.551 30 20 DJED Cc1ccc2sc(C(=O)Nc3ccc(F)cc3C#N)c(C)c2c1 486190933 KEIPZZYUDTYBNL-UHFFFAOYSA-N 324.380 4.781 30 20 DJED CCCn1c(-c2ccc(C(F)F)cc2)nc2cc(C#N)ccc21 527035014 KUIPQUDCVXOUMG-UHFFFAOYSA-N 311.335 4.923 30 20 DJED C=CCC[C@H](Nc1ncccn1)c1ccc(C(F)(F)F)cc1 535329382 LDWUWQLSCAXTIQ-AWEZNQCLSA-N 307.319 4.615 30 20 DJED CC(C)c1ccc2c(c1)[C@@H](NCc1cc(C#N)cs1)CCC2 535690826 OGLPPFXWQLOQPR-IBGZPJMESA-N 310.466 4.910 30 20 DJED CN(Cc1ccc(CC#N)cc1)Cc1ccc(Cl)c(Cl)c1 544071399 YYUGPCMQZZIEIA-UHFFFAOYSA-N 319.235 4.691 30 20 DJED N#Cc1ccc(Oc2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 552894935 WDWVAYSNKOQPQM-UHFFFAOYSA-N 309.108 4.566 30 20 DJED CC(C)Cc1cccc([C@@H](C)C(=O)Nc2ccccc2CC#N)c1 561797763 NPVJKQFMUWUVAE-MRXNPFEDSA-N 320.436 4.693 30 20 DJED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[C@H]1C[C@H]1C 563757279 XXSRTJNQKNSGGM-CZUORRHYSA-N 320.392 4.644 30 20 DJED C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1c(F)cccc1Cl 564427940 OOZODMMHOZGUEW-GTNSWQLSSA-N 314.791 4.689 30 20 DJED Cc1cc(C#N)ccc1OCc1cc(Cl)cc2cccnc12 608886300 FIKOLLRWNREBGW-UHFFFAOYSA-N 308.768 4.647 30 20 DJED C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)c1ccncc1 611727887 ZBSJJEOHLAXYOT-SNVBAGLBSA-N 308.328 4.825 30 20 DJED C=CCN(C(=O)c1cc(C2CC2)nc2ccccc12)C(C)(C)C 622943316 XJXBFKJWHLAZBJ-UHFFFAOYSA-N 308.425 4.539 30 20 DJED CC(C)Oc1ccc(C(=O)/C=C\C2=Cc3ccccc3OC2)cc1 726741522 GUJVVQWTXRXDEM-GHXNOFRVSA-N 320.388 4.689 30 20 DJED CCCOc1ccc(/C=C2\CCOc3ccccc3C2=O)cc1 728441135 DVWIYBHYBNZJJD-JQIJEIRASA-N 308.377 4.524 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(F)cc2F)cc1Cl 741472737 XJOFVHXSUUSMRN-KXFIGUGUSA-N 308.711 4.523 30 20 DJED Cc1ccc(C)c(NC(=S)N[C@@H](CCC#N)c2ccccc2)c1 747710384 SWWYEFOTUBEWLU-KRWDZBQOSA-N 323.465 4.635 30 20 DJED CC(=NNc1ncccc1C(F)(F)F)c1coc2ccccc12 747752824 FIRLUUDOMPHUAP-UHFFFAOYSA-N 319.286 4.683 30 20 DJED CSc1ccc2c(c1)CC/C(=C/c1sccc1C)C2=O 748147261 LUVMCPZMDSQIEC-RAXLEYEMSA-N 300.448 4.991 30 20 DJED CC(C)c1ccc2c(c1)C(=O)/C(=C\c1ccc(Cl)nc1)CO2 748998179 OGCXJGSRXLQRFN-AUWJEWJLSA-N 313.784 4.517 30 20 DJED C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)C1CCCC1 750687064 KCUUDKHLFGYCTH-XJKSGUPXSA-N 324.449 4.813 30 20 DJED CCC1(C)C/C(=C\c2cccnc2)C(=O)/C(=C/c2cccnc2)C1 751517999 QNJFZHWZXUQOQQ-XOBNHNQQSA-N 318.420 4.723 30 20 DJED CCSc1ccc(C(=O)/C=C\c2c(C)nn(CC)c2C)cc1 755605006 URPRLPXVKCNPJY-QXMHVHEDSA-N 314.454 4.528 30 20 DJED CC(C)(C#N)CCCCOC(=O)c1csc2ccccc12 768539835 MJRYGSYYQMWRKN-UHFFFAOYSA-N 301.411 4.778 30 20 DJED CC(C)(C#N)CCCCOC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 768769401 LCSLPWYTGIZZHF-QAQJPARQSA-N 321.436 4.558 30 20 DJED COc1c(Cl)cc(NCc2ccc(C#N)s2)cc1Cl 770552855 LUIMTQIRPUFOJJ-UHFFFAOYSA-N 313.209 4.547 30 20 DJED CCC(C)(C)NC(=S)Nc1ccccc1S[C@H](C)CC#N 774176951 OUIIAKJQQMTONV-GFCCVEGCSA-N 321.515 4.556 30 20 DJED CC(=NNc1cccc(C(F)(F)F)c1)c1ccc(C#N)c(F)c1 776757894 BWJPBWDAYXWCCH-UHFFFAOYSA-N 321.277 4.552 30 20 DJED Cc1cc2c(cc1C)[C@H](NCc1ccc(C#N)cc1)CCS2 779002971 IZLVLROJNXUPDP-GOSISDBHSA-N 308.450 4.502 30 20 DJED CC(C)Oc1ccc(C(=O)/C=C\c2scnc2C2CC2)cc1 782306804 PFTWMNJOORHLHH-KTKRTIGZSA-N 313.422 4.704 30 20 DJED C[C@H](OC(=O)c1coc(C2CCCCC2)n1)c1cccc(C#N)c1 786424863 NUUBACLLNXKWGK-ZDUSSCGKSA-N 324.380 4.512 30 20 DJED C[C@@H](CC(=O)OCC1(C#N)CCCCC1)c1c[nH]c2ccccc12 786484868 PKYLXCNXNGRJFS-HNNXBMFYSA-N 324.424 4.679 30 20 DJED C[C@H](C#N)Oc1ccccc1NCc1cccc(C(F)F)c1 795046094 VIWCDXVDSYGAHE-GFCCVEGCSA-N 302.324 4.527 30 20 DJED CCCC(CCC)c1ccc(OC(=O)CSCC#N)cc1 811190866 WCUZBQPSDLCAJL-UHFFFAOYSA-N 305.443 4.533 30 20 DJED N#Cc1c(F)cccc1/C=C/C(=O)c1ccc2ccccc2c1 811684773 CRDRHRMBYIDGAK-ZHACJKMWSA-N 301.320 4.747 30 20 DJED N#C[C@@H](C(=O)C1CC2(CCC2)C1)c1nc(-c2ccccc2)cs1 842688366 FOTZBLASNPFJLQ-HNNXBMFYSA-N 322.433 4.567 30 20 DJED CC1=C(C)C[C@@H](C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)CC1 842786073 YUEPFWAXBOHWKF-KBPBESRZSA-N 316.470 4.753 30 20 DJED CC[C@@H](C)c1ccc([C@H](C)NCc2ccc(OCC#N)cc2)cc1 858377264 XACPVAWLDUAOSG-SJORKVTESA-N 322.452 4.953 30 20 DJED CC(=NNc1cccc(F)c1Cl)c1cnn(C(C)(C)C)c1C 863158681 LWGBSJVALPGLLQ-UHFFFAOYSA-N 322.815 4.575 30 20 DJED Fc1cccc(Cl)c1C=NNc1nccc2sccc12 915978894 GWAKSSKYLGHLHG-UHFFFAOYSA-N 305.765 4.535 30 20 DJED Cc1cc2oc(=O)cc(CSc3ccc(C#N)cc3)c2cc1C 916671404 GEWCWSQYXFDJGK-UHFFFAOYSA-N 321.401 4.574 30 20 DJED COc1ccc(Cl)cc1/C=C\C(=O)c1cc2ccccc2o1 917143545 JGIIFLKCCDCVCE-VURMDHGXSA-N 312.752 4.991 30 20 DJED O=C(/C=C/c1cccc(OC2CCCC2)c1)c1ccc(O)cc1 917517343 OJTXMFMNGUZKDC-MDWZMJQESA-N 308.377 4.610 30 20 DJED Cc1ccc(-c2n[nH]cc2/C=C2/CCc3ccccc3C2=O)cc1 920062960 KHGHNSNGEGUZIZ-ATVHPVEESA-N 314.388 4.598 30 20 DJED N#Cc1cccc(NC(=O)CCCc2csc3ccccc23)c1 1124268096 BJTKUECXTRBQMP-UHFFFAOYSA-N 320.417 4.734 30 20 DJED CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNc1ncc(C#N)cc1Cl 1162326001 FKRSEOUCTGHOAS-VHDGCEQUSA-N 305.853 4.727 30 20 DJED CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNc1snc(Cl)c1C#N 1185116862 MUXKKZBKDZSVGY-GRYCIOLGSA-N 311.882 4.788 30 20 DJED Cc1cc(C#N)nc(N[C@H](CC(C)C)c2ccc(Cl)cc2)n1 1185565747 UIAUIJYPGYQLTK-MRXNPFEDSA-N 314.820 4.509 30 20 DJED C[C@@H](CCC1CC1)NC(=O)Nc1scc(C(C)(C)C)c1C#N 1218514327 PYTZQEIKEIGXGA-NSHDSACASA-N 319.474 4.617 30 20 DJED CSc1ccccc1CN1CCC(c2ccc(C#N)cc2)CC1 1231786285 SDEVYKFGQQCVKE-UHFFFAOYSA-N 322.477 4.660 30 20 DJED N#Cc1ccc(F)c(CN[C@@H]2CCCc3c(Cl)cccc32)c1 1334779130 JFBIFVOLHJYTHL-GOSISDBHSA-N 314.791 4.518 30 20 DJED CC(C)(C)Cc1ccccc1C(=O)Nc1ccc(CC#N)cc1 1352224289 FMXKRSMHQMFTAJ-UHFFFAOYSA-N 306.409 4.594 30 20 DJED C[C@H](NC(=O)CC(C)(C)C1CCCCC1)c1cccc(C#N)c1 1439248152 XBMHVHVFDUQMCT-HNNXBMFYSA-N 312.457 4.732 30 20 DJED Cc1ccc([C@H]2[C@H](C)CCCN2CCc2ccc(C#N)cc2)cc1 1459654986 YRKPXZYJXSAFAE-XMSQKQJNSA-N 318.464 4.882 30 20 DJED CC(C)(C#N)CCCN1C[C@@H](c2ccccc2)c2ccccc21 1460035430 UCOPTFRHACOFAJ-IBGZPJMESA-N 304.437 4.968 30 20 DJED CCN(Cc1ccccc1SC)[C@H](C)c1ccc(C#N)cc1 1473118155 XLNTXHLUTFKMMF-OAHLLOKOSA-N 310.466 4.863 30 20 DJED CCCN(C(=O)c1csc(C#N)c1)[C@H](CC)c1ccccc1 1524902580 RNTUIVDGIGSNQP-QGZVFWFLSA-N 312.438 4.623 30 20 DJED Cc1sc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c(C#N)c1C 1529477607 KVIJXIJRPVUQNE-QLFBSQMISA-N 316.470 4.782 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC(=O)CC1(C)CCCCC1 1535142332 STOQJQBSFGMDGX-UHFFFAOYSA-N 314.429 4.644 30 20 DJED C[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C1CCCCCC1 1538151349 XQCHDJOEWICWET-OAHLLOKOSA-N 312.457 4.576 30 20 DJED C[C@H](CC(C)(C)C#N)NCC1(c2ccc(F)cc2F)CCCC1 1560771917 JPEWXINSYQTJKD-CQSZACIVSA-N 320.427 4.695 30 20 DJED C=C(Br)COc1cc(C(F)(F)F)ccc1Cl 1613335195 OVTBNVRJHNQSTN-UHFFFAOYSA-N 315.516 4.646 30 20 DJED C=C(Cl)CNC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C 1628361925 GWXHUPHUBDSLCU-UHFFFAOYSA-N 305.849 4.518 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@@H]1c1ccc(F)cc1C 1643415050 PPPXZCGNCYTSMI-HXUWFJFHSA-N 308.400 4.651 30 20 DJED C[C@H](CNc1nc(C(C)(C)C)ccc1C#N)Cc1cccs1 1650803512 KJMRIAVHHWMEHN-ZDUSSCGKSA-N 313.470 4.603 30 20 DJED Cc1ccc(CCN(Cc2ccco2)C[C@@H](C)CCC#N)cc1 1658828105 OSFGHHNODXPTOY-SFHVURJKSA-N 310.441 4.573 30 20 DJED CO[C@H](CNc1ccc(Oc2ccccc2)c(C#N)c1)CC(C)C 1658963759 GZUXRYVWHAKYOG-IBGZPJMESA-N 324.424 4.824 30 20 DJED C[C@@H](CCC1CCCCC1)NC(=O)Nc1cccc(CC#N)c1 1670084451 ISANTNDSPLZYMJ-HNNXBMFYSA-N 313.445 4.623 30 20 DJED CC(C)[C@H](NC[C@@H](C#N)CCC#N)c1ccc(C(C)(C)C)cc1 23677583 BIMXBEZAXPSMAH-APWZRJJASA-N 311.473 4.714 30 20 DJED COc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1 27518497 VAXLEWGXMBDXEN-NYYWCZLTSA-N 306.283 4.610 30 20 DJED Cc1cc(Br)ccc1N[C@H](C)c1cccc(C#N)c1 37197088 GZNSFEYCEHBJGW-GFCCVEGCSA-N 315.214 4.802 30 20 DJED C=C(Cl)COc1ccc(C(=O)/C=C/c2ccsc2)cc1 59737681 VDENJCCDZMOBTH-FARCUNLSSA-N 304.798 4.776 30 20 DJED C=CCN(Cc1cccs1)C(=O)Nc1c(C)cccc1Cl 132411830 DUWZHFOIVMJVPD-UHFFFAOYSA-N 320.845 4.930 30 20 DJED Cc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)CCC2 180540456 WPRZOTFAYAZAPF-IERDGZPVSA-N 320.436 4.626 30 20 DJED CCc1cc(C#N)c(NC(=O)c2ccc(C(C)C)s2)s1 185713737 YRHVAJADQPCETA-UHFFFAOYSA-N 304.440 4.619 30 20 DJED CCOc1ccccc1[C@H](CC)NCc1ccc(C#N)cc1C 186319879 VFTDHUAYUFIWDJ-IBGZPJMESA-N 308.425 4.506 30 20 DJED CC(C)C[C@H](NCc1ccc(OCC#N)cc1)c1cccs1 194363741 IBMKYMHOLRBMPP-KRWDZBQOSA-N 314.454 4.527 30 20 DJED C#CCCOc1ccc(CN[C@@H](c2ccc(C)cc2)C2CC2)cc1 237645278 SQYOQBXMJBRNHZ-QFIPXVFZSA-N 319.448 4.638 30 20 DJED C=CCCCCNC(=O)Nc1ccccc1S[C@@H](C)CC#N 274625830 UYTZNWKAXMGJHS-AWEZNQCLSA-N 317.458 4.559 30 20 DJED C[C@]1(/N=C(/O)Cc2cc3c(ccc4ccccc43)o2)CCCOC1 329186409 QOUVDMAZWYVCME-FQEVSTJZSA-N 323.392 4.654 30 20 DJED CC(C)[C@H](/N=C(/O)C[C@H]1CCCC(O)=N1)c1ccccc1Cl 329258256 ADRWIWWXXWIATG-PXAZEXFGSA-N 322.836 4.893 30 20 DJED CC(C)N(C(=O)[C@@H](C)c1cccc(C#N)c1)[C@H](C)c1ccccc1 410894183 UCYYGMSTGZDICD-DLBZAZTESA-N 320.436 4.660 30 20 DJED CCOCCCSCc1ccc(-c2ccccc2C#N)cc1 437440158 RZBXHUFTTMDQLT-UHFFFAOYSA-N 311.450 4.885 30 20 DJED CC[C@H](N[C@H]1CCCOc2c(F)cccc21)c1ccc(C#N)cc1 447592959 OYZNZWIZUVVYCK-OALUTQOASA-N 324.399 4.652 30 20 DJED N#Cc1cccc(C2(NCc3cc(Cl)sc3Cl)CC2)c1 449198621 CMTWOGPITWYACI-UHFFFAOYSA-N 323.248 4.705 30 20 DJED N#CCCCC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 461788464 WZOAUOXSBAQYOS-UHFFFAOYSA-N 321.405 4.596 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1ccccc1COc1ccccc1 466403628 GJOXRLMJXQUTBJ-KRWDZBQOSA-N 324.424 4.742 30 20 DJED C=CCCOCCCCC(=O)Nc1ccc(C2CCC2)cc1 470509138 IEAXOTGAZHAROR-UHFFFAOYSA-N 301.430 4.656 30 20 DJED CC(C)c1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1 474091369 WOHYGYGIJOAYFR-GOSISDBHSA-N 306.409 4.836 30 20 DJED N#Cc1cc(Cl)ccc1CNc1ccc(C(=O)C2CCC2)cc1 486213123 IFXMSTKHTAAVKZ-UHFFFAOYSA-N 324.811 4.807 30 20 DJED C=CC[C@@H](C(=O)N[C@H]1CCSc2ccccc21)c1ccccc1 487810378 YOLAHURCOMHXGP-AEFFLSMTSA-N 323.461 4.700 30 20 DJED Cc1cc(CN[C@H](C)c2c(F)cccc2Cl)ccc1C#N 488170615 QIIJYUQAKXEXGP-GFCCVEGCSA-N 302.780 4.510 30 20 DJED CC(C)c1ccc([C@@H](NC(=O)CC(C)(C)C#N)C(C)C)cc1 498882816 CWYLZBUUDVBECS-SFHVURJKSA-N 300.446 4.563 30 20 DJED CCCCc1ccc(OCCCC2(C#N)CCOCC2)cc1 499978671 NDESJVGQOFRIOG-UHFFFAOYSA-N 301.430 4.509 30 20 DJED CC[C@H](C)CCC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 510356964 UZBLPYPETFGWJK-GXFFZTMASA-N 313.228 4.501 30 20 DJED COc1ccc(CS[C@@H](C)c2ccc(C#N)cc2)cc1F 511924237 UNEVZXGJYBCFFX-LBPRGKRZSA-N 301.386 4.700 30 20 DJED C=CCOc1cccc(NC(=O)[C@@H](C)c2cccc(Cl)c2)c1 525141585 MDUOZUMYFRDBOX-ZDUSSCGKSA-N 315.800 4.647 30 20 DJED N#CCc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 535369626 LQRALWMCGBAFDH-UHFFFAOYSA-N 324.383 4.576 30 20 DJED CC1CCN(c2cccc(N[C@H](C)c3cccc(C#N)c3)c2)CC1 539739138 CIAORPUARKQUIE-QGZVFWFLSA-N 319.452 4.968 30 20 DJED C=CCSCCN[C@H](C)c1sc(-c2ccccc2)nc1C 542827140 PKGOPGMLPMHIMK-CYBMUJFWSA-N 318.511 4.688 30 20 DJED C=CCCC(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 564239759 CCDWHBQOFAGCAM-UHFFFAOYSA-N 312.240 4.666 30 20 DJED C=CCC[C@H](Nc1cccc(N2CCCCC2=O)c1)c1ccco1 567634639 YSBOLNVVXGWKLR-SFHVURJKSA-N 324.424 4.916 30 20 DJED C[C@@H](NCc1cc(Cl)ccc1Cl)c1cccc(C#N)c1 611080787 DHUDIBDLLKFEIT-LLVKDONJSA-N 305.208 4.716 30 20 DJED Cc1cccc2c1C/C(=C/c1cnc(-c3ccccc3)s1)C2=O 729151590 UITKJTJGJQCEBV-GDNBJRDFSA-N 317.413 4.941 30 20 DJED COc1ccc(C(=O)/C=C\c2coc(-c3ccc(C)cc3)n2)cc1 748441784 VMPCVNKFCTZGTL-XFXZXTDPSA-N 319.360 4.555 30 20 DJED C=CCCCC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 749025186 BEOAPGFQXSKYMK-HNNXBMFYSA-N 310.422 4.651 30 20 DJED C=C(C)COc1cc(/C=C\C(=O)c2ccsc2)ccc1OC 749105626 WHZLEOIXWYGTQE-XQRVVYSFSA-N 314.406 4.608 30 20 DJED CC(=NNc1ccccc1F)c1cc(Cl)c(N)c(Cl)c1 754705965 DGGIODYISLPPRD-UHFFFAOYSA-N 312.175 4.551 30 20 DJED O=C(/C=C/c1nc(Cl)cs1)c1ccc2ccccc2c1O 759085761 XWMYHDKWNMSIIR-BQYQJAHWSA-N 315.781 4.551 30 20 DJED C=CCN(C(=O)CCCCCO[C@H]1CCC[C@H](C)C1)C(C)C 766347692 ZFODYVFPMIXKAR-ROUUACIJSA-N 309.494 4.565 30 20 DJED C=C(C)[C@H](N[C@@H](C)c1ccnc(Cl)c1)c1ccc(F)c(F)c1 775559478 ZSYIOEVKRAMSFI-GTNSWQLSSA-N 322.786 4.981 30 20 DJED CSc1ccc(C(=O)/C=C/c2nc3c(s2)CCCC3)cc1 776263175 BNJVLOLKURUDOQ-ZHACJKMWSA-N 315.463 4.640 30 20 DJED CCCCCCCCOCC(=O)Nc1cc2[nH]ccc2cc1C 781540298 WQGDCFXMERLNMM-UHFFFAOYSA-N 316.445 4.792 30 20 DJED C[C@@]1(c2ccccc2)CC[C@@H](Nc2cccc(OCC#N)c2)C1 783661373 VNJIIMYNZOYAAV-UYAOXDASSA-N 306.409 4.511 30 20 DJED CC(C)(C#N)CCCN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784482540 YHYFNPJBSPFMSE-HNNXBMFYSA-N 324.390 4.825 30 20 DJED O=C1/C(=C/c2ccsc2Cl)CCOc2ccc(F)cc21 790216170 SYZCFLPDKVALKB-VQHVLOKHSA-N 308.761 4.589 30 20 DJED CC1(C)C/C(=C\c2scnc2C2CC2)C(=O)c2ccccc21 794970201 WYKMNUINAVJKFB-UKTHLTGXSA-N 309.434 4.968 30 20 DJED C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1F 795981553 NMFTUTLQDPBXPA-GOEBONIOSA-N 311.356 4.517 30 20 DJED Cc1cc([C@H](Nc2nc(Cl)c(C#N)s2)C2CC2)ccc1F 804579105 SUYIWIUULWYOTK-CYBMUJFWSA-N 321.808 4.679 30 20 DJED C[C@H](NCC(C)(C)CCC#N)c1ccc(Cl)c(Cl)c1O 806177997 NLLGSQWSJFGRQU-JTQLQIEISA-N 315.244 4.680 30 20 DJED C=C1CCC(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)CC1 895535857 CFDRQAIEOHVVHK-UHFFFAOYSA-N 320.436 4.530 30 20 DJED CCC[C@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915352812 NDBRXBRUJCMNHK-KXBFYZLASA-N 321.424 4.652 30 20 DJED COc1cccc2cc(/C=C3/CSc4ccccc4C3=O)oc12 916154946 ZRFMPKIXDIKWCA-RAXLEYEMSA-N 322.385 4.813 30 20 DJED CCCOc1cc(/C=C\C(=O)c2ccccc2C)ccc1OC 916155876 JQBDXTQSZBZEQC-LUAWRHEFSA-N 310.393 4.689 30 20 DJED C=CCN(C(=O)N[C@@H](c1ccccc1)C1CCCC1)C(C)C 918085121 QOIJHMHEGPUCNI-SFHVURJKSA-N 300.446 4.524 30 20 DJED C[C@@H](C#N)CN(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O 921031079 XRCIPJIEQZILTJ-AWEZNQCLSA-N 316.489 4.579 30 20 DJED C=CCCc1ccccc1NC(=O)N1CC[C@H]1c1ccc(F)cc1 931290416 NQTGCSLPKOXQEH-IBGZPJMESA-N 324.399 4.923 30 20 DJED Cc1cc(CN[C@H](C)c2ccc(Cl)c(F)c2)ccc1C#N 1116786035 FXPAEHCZPFHFEE-GFCCVEGCSA-N 302.780 4.510 30 20 DJED C=CCCc1nnc(-c2cc(-c3ccco3)nc3ccccc23)o1 1117212487 FEOZEVCLWRCICD-UHFFFAOYSA-N 317.348 4.663 30 20 DJED N#Cc1ccnc(/C=C/c2ccc(Br)c(Cl)c2)c1 1117392451 ROFQMCHLLIFQPR-HNQUOIGGSA-N 319.589 4.540 30 20 DJED CC(C)(C#N)CCN(Cc1ccccc1)Cc1ccc(F)cc1 1167233577 MOAYYFSHVPOONS-UHFFFAOYSA-N 310.416 4.768 30 20 DJED Cc1cc(C)c(C(=O)[C@H](C)Sc2cccc(C#N)c2)cc1C 1307309693 SIRYPRXCTYNPDE-HNNXBMFYSA-N 309.434 4.847 30 20 DJED C=C(Br)CN1CC[C@@H](C)C[C@@H]1c1ccc(CC)o1 1307498170 GTEWDLOJCCZPHD-BXUZGUMPSA-N 312.251 4.524 30 20 DJED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)Nc1ccc(C#N)cc1Cl 1310423296 JASTVGWNTFIUNZ-BXUZGUMPSA-N 319.836 4.548 30 20 DJED CCc1ccc(C(=O)/C=C/c2ccc(-c3cnn(C)c3)cc2)s1 1344419496 QXAJSFYDXMUVCS-UXBLZVDNSA-N 322.433 4.607 30 20 DJED Cc1ccc(N(CCC#N)C(=O)[C@H](F)CC2CCCCC2)cc1 1442730484 OCTQHMZJIIVKBA-GOSISDBHSA-N 316.420 4.550 30 20 DJED COc1ccccc1[C@@H](C)Sc1nc(C#N)c(Cl)s1 1458201445 JDZRNMKDLUATSC-MRVPVSSYSA-N 310.831 4.530 30 20 DJED COc1cc(CN2CCCC(C)(C)c3ccccc32)ccc1C#N 1462289776 JRJWWNGXGNLDBH-UHFFFAOYSA-N 320.436 4.645 30 20 DJED C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CC1(C#N)CCCCC1 1471997509 SSVWYKRLNYCWHO-MJGOQNOKSA-N 324.468 4.645 30 20 DJED N#CC1(C(=O)OCc2ccc(C3CCCCC3)cc2)CCCC1 1519123506 ZOTZATIRVYESDG-UHFFFAOYSA-N 311.425 4.861 30 20 DJED Cc1ccc(C)c([C@@H](C)OC(=O)c2ccc(C#N)c(Cl)c2)c1 1536164904 SGWAVLKJMSNJCV-CYBMUJFWSA-N 313.784 4.747 30 20 DJED CCCC1(C(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@H]3C)CC1 1544390625 KSTQTRIWANBDLG-VXGBXAGGSA-N 316.470 4.824 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2ccc(C3=CCCC3)cc2)c1 1583760695 WFKWUBQGPLZKBY-UHFFFAOYSA-N 302.377 4.686 30 20 DJED CCC1(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)CCC1 1584028781 HVGAOVARUQJSKH-NWDGAFQWSA-N 316.470 4.824 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@H]1CNc1nc(C#N)c(Cl)s1 1611905677 OGQQLXHBNMKRAW-WDEREUQCSA-N 311.882 4.933 30 20 DJED COc1ccc([C@H](C)CSc2cccc(F)c2C#N)cc1 1613821004 AQOGRIGCCJBGOB-GFCCVEGCSA-N 301.386 4.602 30 20 DJED CSc1ccccc1COc1nc2c(cc1C#N)CCCCC2 1641365705 XFCUZGLPTQORDL-UHFFFAOYSA-N 324.449 4.523 30 20 DJED CCC(C)(C)c1ccc(COc2ccc(C#N)c(OC)c2)cc1 1651953033 BSGKYFQEACNSOA-UHFFFAOYSA-N 309.409 4.833 30 20 DJED O=C(O)c1cc(NN=CCCC2CCCCC2)ccc1Cl 1776033696 STCVUDPAVFFVSU-UHFFFAOYSA-N 308.809 4.796 30 20 DJED CCc1ccc(Cl)c(CC)c1NC(=O)c1sccc1C#N 52028312 QPMUYGGNCWIEAP-UHFFFAOYSA-N 318.829 4.650 30 20 DJED CCN(C(=O)c1cccc(C#N)c1)[C@@H](C)c1cc2ccccc2o1 55605023 GHSMBDQBWDJNRZ-AWEZNQCLSA-N 318.376 4.528 30 20 DJED CCCCCCC[S@@](=O)Cc1coc(-c2cccs2)n1 132929077 AVNKQVYHNXTRAF-FQEVSTJZSA-N 311.472 4.622 30 20 DJED C=CCCC(=O)CSc1nnc(-c2cccc3ccccc23)o1 134812345 GIROOLWOBCITPI-UHFFFAOYSA-N 324.405 4.517 30 20 DJED CC(C)c1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)s1 184554548 WTEWLUOMMQOFDW-LLVKDONJSA-N 310.378 4.503 30 20 DJED CC[C@@H](Cc1ccccc1)Nc1cccc(OCCCC#N)c1 237035128 SUQOPVMVADEANW-SFHVURJKSA-N 308.425 4.802 30 20 DJED CCOc1cccc(C=Nc2ccc3oc(C4CC4)nc3c2)c1O 255078812 DDZPYLIXFRAKAW-UHFFFAOYSA-N 322.364 4.560 30 20 DJED C=CCC(CC=C)C(=O)Oc1ccc(-c2c(C)noc2C)cc1 277073470 DWPMHZMUMNZKDM-UHFFFAOYSA-N 311.381 4.632 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1ccc(SC)cc1 277447582 UXMBIUVPXOWTAK-MRXNPFEDSA-N 323.502 4.702 30 20 DJED CC[C@H](Nc1nc(C(F)(F)F)ccc1C#N)c1ccccc1 317270435 SIKVZUZXSXSLAO-ZDUSSCGKSA-N 305.303 4.535 30 20 DJED Cc1oc2ccccc2c1CN[C@@H]1CCCc2cc(C#N)ccc21 344138783 TYBWGPAQVNNJIX-HXUWFJFHSA-N 316.404 4.780 30 20 DJED N#CCCCOc1cccc(NCc2ccccc2C2CC2)c1 391372746 RRFDYXJKIJVOHL-UHFFFAOYSA-N 306.409 4.859 30 20 DJED C[C@H](NC1CC(C#N)(c2ccccc2)C1)c1cc2ccccc2o1 392560787 MEOUETBKQZZIDH-SBGRQLAYSA-N 316.404 4.707 30 20 DJED C=CCC[C@@H](C(=O)Nc1cc(C)c(O)c(C)c1)c1ccccc1 427831556 XTWSHTANFWQVBG-GOSISDBHSA-N 309.409 4.698 30 20 DJED CC[C@@H](Cc1ccc(Cl)cc1)NC1CCC(C)(C#N)CC1 449143949 ROETXOGPZGQTAC-AOCRQIFASA-N 304.865 4.723 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1cc(F)ccc1-c1ccoc1 470879907 MACNCHCZIDMLHN-UHFFFAOYSA-N 320.323 4.518 30 20 DJED N#C[C@@H]1CC[C@H](N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 471583831 BWMOQNIWKODGMY-MDASCCDHSA-N 310.828 4.711 30 20 DJED CC(C)(C#N)CCCSc1ncc(-c2ccc(F)cc2)[nH]1 475943392 YWQKFFLSHAEPGB-UHFFFAOYSA-N 303.406 4.638 30 20 DJED C=C(C)CSCC(=O)c1cc(C)n(Cc2cccs2)c1C 476997838 CRVIXLUXUAQCQW-UHFFFAOYSA-N 319.495 4.707 30 20 DJED C=CCN(Cc1ccc(SC)c(OC)c1)Cc1cccs1 506018061 XOKSIRVFOWXZJI-UHFFFAOYSA-N 319.495 4.667 30 20 DJED N#Cc1csc(CN(C2CC2)[C@H]2CCCc3ccccc32)c1 508009073 NHVSRSDWCDCYTL-IBGZPJMESA-N 308.450 4.662 30 20 DJED Cc1cc(C)cc(-c2ccc(CN3CCC(C#N)CC3)cc2)c1 512690041 LBZICYJTFBMQKC-UHFFFAOYSA-N 304.437 4.706 30 20 DJED N#Cc1ccc(CSc2nc3cc(Cl)ccc3o2)c(F)c1 514760130 PFIZVGSJESKANF-UHFFFAOYSA-N 318.760 4.784 30 20 DJED CCC[C@H](C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 518728591 LUASXKFFQBIZTE-AWEZNQCLSA-N 308.381 4.725 30 20 DJED C[C@H]1CCc2c(sc(NC(=O)CC3=CCCCC3)c2C#N)C1 520725071 BVZKTGDUUNFWPW-LBPRGKRZSA-N 314.454 4.574 30 20 DJED CC[C@H](CNc1nc(C(F)(F)F)ccc1C#N)c1ccccc1 522416712 PJCVVOMIBRGMIQ-GFCCVEGCSA-N 319.330 4.578 30 20 DJED CC(C)Oc1c(Cl)cccc1NCc1ccccc1C#N 532263706 WMIJYSRBVYIWDY-UHFFFAOYSA-N 300.789 4.611 30 20 DJED CCC(C)(C)CC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 589470587 KCNSHUVZYDIEMD-UHFFFAOYSA-N 323.396 4.510 30 20 DJED CC(C)c1ccc(-c2nnc(SCC(C)(C)CC#N)o2)cc1 594891133 NEHWSLRSACPXNG-UHFFFAOYSA-N 315.442 4.892 30 20 DJED O=C(/C=C\c1cccc(F)c1F)c1ccccc1C(F)(F)F 730732108 ATBURTDKNNMWPH-HJWRWDBZSA-N 312.237 4.880 30 20 DJED CCc1c(C(C)=NNc2ccc(F)cn2)oc2ccc(C)cc12 731318258 JVNHRKQTEZXQOJ-UHFFFAOYSA-N 311.360 4.674 30 20 DJED CC1(C)C(=NNc2ccc(Cl)cc2Cl)[C@H]2CCCO[C@H]21 743427952 GFSZLGUGICNZKV-QMTHXVAHSA-N 313.228 4.596 30 20 DJED c1ccc2c(c1)CSCC2=NNc1cccc2ccccc12 747060163 KGLDUFRYWAORLD-UHFFFAOYSA-N 304.418 4.903 30 20 DJED Cc1cccc(C)c1NC(=S)N[C@H](CCC#N)c1ccccc1 747711213 YRKONKNKCADZBB-QGZVFWFLSA-N 323.465 4.635 30 20 DJED CCOc1c(Cl)cc(/C=C/C(=O)c2ccsc2)cc1OC 749101729 JCBKPRJVYASCCN-SNAWJCMRSA-N 322.813 4.705 30 20 DJED CC[C@H](C)Oc1cc(/C=C\C(=O)c2ccccc2)ccc1OC 749449990 BGHGCWOVWGHWHT-WQTVUKCASA-N 310.393 4.769 30 20 DJED CCSc1ccc(C(C)=NNc2cnnc3ccccc23)cc1 755734895 WGTKOKYMQSORFW-UHFFFAOYSA-N 322.437 4.578 30 20 DJED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1c(F)cccc1F 775375245 JGXBFAVSIZACIH-XIKOKIGWSA-N 312.363 4.565 30 20 DJED Cc1nc(C2CCCCC2)sc1C(=O)OCCC(C)(C)C#N 776400019 PUZWLGHIZDHWCP-UHFFFAOYSA-N 320.458 4.596 30 20 DJED Cc1ccccc1-c1cccc(C=NN[C@H]2CCOC(C)(C)C2)c1 780249695 HDWFVUKGKCMMMH-IBGZPJMESA-N 322.452 4.543 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)CCCc2ccsc2)n1 783402253 VSTLREUJRSOEEX-CYBMUJFWSA-N 318.467 4.527 30 20 DJED Cc1cn2c(/C=C\C(=O)c3csc(Cl)c3)c(C)nc2s1 787185983 KICICFYOUFEORG-ARJAWSKDSA-N 322.842 4.624 30 20 DJED CC[C@](C)(C#N)C(=O)O[C@H](C)c1cc(Cl)ccc1Cl 797173524 WOCQQBGQRZCFQW-YMTOWFKASA-N 300.185 4.537 30 20 DJED C[C@H]1/C(=C\c2ccc([N+](=O)[O-])c(Cl)c2)C(=O)c2ccccc21 809159092 IAAVEHRCGAMMNC-WWNSAXIVSA-N 313.740 4.632 30 20 DJED CC(=NNc1ccc(Cl)cc1Cl)c1ccc(C)nc1C 814750903 COINOKYQIQMZGM-UHFFFAOYSA-N 308.212 4.841 30 20 DJED CCOc1ccc(C#N)cc1NCc1ccc(Cl)cc1C 864008072 JGLJHKGRLQNPJD-UHFFFAOYSA-N 300.789 4.531 30 20 DJED O=C(c1ccsc1Cl)N(O)Cc1cccc2ccccc12 901370104 QZINLAKTAXKTQV-UHFFFAOYSA-N 317.797 4.586 30 20 DJED C=CCC(CC=C)c1nc(-c2cccc(Br)c2)no1 904294151 DQVNYJOGYFGHSR-UHFFFAOYSA-N 319.202 4.735 30 20 DJED CCCCCCCCCCC(=O)Nc1ccc2nc(O)[nH]c2c1 915805300 PDERENCYZNDZRU-UHFFFAOYSA-N 317.433 4.738 30 20 DJED CCCC(=NNc1ccc(C(F)(F)F)cn1)c1ccccc1 915917702 LISRETVIWJHEEW-UHFFFAOYSA-N 307.319 4.717 30 20 DJED CCCOc1cc(/C=C\C(=O)c2ccc(C)cc2)ccc1OC 916134308 LEQLFCXCCCSAOW-XFFZJAGNSA-N 310.393 4.689 30 20 DJED Fc1cc(F)cc(NN=Cc2ccc(Cl)cc2Cl)c1 920376730 PRLZDOMZSUACQT-UHFFFAOYSA-N 301.123 4.718 30 20 DJED CC(C)(C)OCc1cccc(NCc2ccc(C#N)s2)c1 922914158 JESOHAKDYLCLOF-UHFFFAOYSA-N 300.427 4.547 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1CCCCC1(C#N)CCC1 929757565 SYAPEOYRWCCVKA-WOJBJXKFSA-N 321.468 4.622 30 20 DJED CC(C)Oc1ccc(C#N)cc1N[C@@H](C)c1ccc(F)c(F)c1 1115892749 KVDZVAPZSOWZOO-LBPRGKRZSA-N 316.351 4.797 30 20 DJED CC[C@H](C)c1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)cc1 1127091525 WMPKRLMCRPVRMP-LSDHHAIUSA-N 307.393 4.990 30 20 DJED CC(C)(C#N)c1ccc(C(=O)OCc2ccc3occc3c2)cc1 1128813086 GTJQINKDQXVOLD-UHFFFAOYSA-N 319.360 4.591 30 20 DJED CC(C)c1ccc2c(c1)CN([C@H](C)c1ccc(C#N)cc1)CC2 1171815846 XHXUNAPQIHXYFM-MRXNPFEDSA-N 304.437 4.801 30 20 DJED CC[C@H](CSc1nc2c(c(C)c1C#N)CCC2)CC(F)F 1188400389 ITGNFPAOLYVTRD-NSHDSACASA-N 310.413 4.524 30 20 DJED C[C@H](c1cccc(C#N)c1)N1CCC(Cc2ccc(F)cc2)CC1 1190690783 JRRQRVFXMMYOGX-MRXNPFEDSA-N 322.427 4.713 30 20 DJED N#Cc1ccc(CCN[C@@H](c2ccc(Cl)cc2)C2CCC2)cc1 1192781621 ZKMYQMGLFVLOHH-HXUWFJFHSA-N 324.855 4.885 30 20 DJED Cc1cc(C#N)cc(NC(=O)N2CCC[C@H](C)c3ccccc32)c1 1310872257 PJHTTZJOTBSYGN-HNNXBMFYSA-N 319.408 4.803 30 20 DJED CC[C@H](C#N)[C@H](OC(=O)[C@H](F)c1ccccc1)c1cccs1 1343904281 AZVYWVVZSPGEML-WQVCFCJDSA-N 317.385 4.593 30 20 DJED Cc1ccccc1C(Nc1cccc(C#N)n1)c1ccccc1C 1458309128 LNYPLXFGZJISTJ-UHFFFAOYSA-N 313.404 4.772 30 20 DJED CC(C)(C)c1ccc2c(c1)CCN(Cc1ccc(CC#N)cc1)C2 1473137297 SWEHJMRRHQGMLY-UHFFFAOYSA-N 318.464 4.608 30 20 DJED Cc1ccc(NC(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 1476647205 ZSHXYPMIQSZIEW-UHFFFAOYSA-N 313.426 4.870 30 20 DJED CCC1(C(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)CCC1 1527032809 UEESDHOGEMNKPN-NEPJUHHUSA-N 316.470 4.824 30 20 DJED CCc1c(C)sc(NC(=O)C2C[C@H](C)C[C@@H](C)C2)c1C#N 1536890087 SIIIFAVRDOHYSJ-GHMZBOCLSA-N 304.459 4.501 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1csc2ccccc12 1559481481 SWALPFMHVXFFBR-AWEZNQCLSA-N 306.434 4.966 30 20 DJED N#Cc1ccc(CN(Cc2ccc(Cl)cc2F)C2CC2)cc1 1616567121 AUVNXOINPRFWRM-UHFFFAOYSA-N 314.791 4.515 30 20 DJED C[C@H]1c2cc(F)cc(F)c2CCN1CCC1(C#N)CCCCC1 1642273370 NIJSULJHKYXWAK-AWEZNQCLSA-N 318.411 4.748 30 20 DJED N#CC1(CCNC2(Cc3ccccc3)CCCC2)CCCCC1 1645232124 WYMHYNBLJOHJPB-UHFFFAOYSA-N 310.485 4.996 30 20 DJED CC1(C)CCc2ccccc2[C@H](NCc2ccc(CC#N)cc2)C1 1645398050 PXBLUJFIXQCFAZ-OAQYLSRUSA-N 318.464 4.946 30 20 DJED CC(C)(C#N)c1ccccc1CN1CC[C@@H](C2CCCCC2)C1 1654987686 QKRVSPMEUCHKLJ-GOSISDBHSA-N 310.485 4.890 30 20 DJED Cc1ccc([C@@H]2CCCCN2Cc2ccc(C#N)cc2F)cc1 1657513727 LQUHRPQEOLOLLZ-FQEVSTJZSA-N 308.400 4.733 30 20 DJED N#Cc1cccc(CNc2c(-c3ccccc3)[nH]c3ccccc23)n1 1658969560 LXIYGOSWNKSBNF-UHFFFAOYSA-N 324.387 4.714 30 20 DJED C=CCC1(C(=O)O)CCN([C@H](C)c2ccc(C(C)C)cc2)CC1 1776157490 QKDGDVRWYCGVKR-MRXNPFEDSA-N 315.457 4.614 30 20 DJED CC(C)(C)[C@H](NCc1cc(C#N)ccc1F)c1ccc(F)cc1 53644118 XURNYNZNPCVPSA-GOSISDBHSA-N 314.379 4.713 30 20 DJED CCN(CC(C)C)C(=O)Nc1ccccc1S[C@H](C)CC#N 109028255 JXKNVQDQUDVLKM-CQSZACIVSA-N 319.474 4.591 30 20 DJED COc1cccc(/C=C2/CCc3ccccc3C2=O)c1OC(C)C 111690946 QWNAHIUOVPYRNZ-SSZFMOIBSA-N 322.404 4.695 30 20 DJED C=CCCCC(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 177900560 XMIPEIPYSNEHFS-FQEVSTJZSA-N 305.421 4.669 30 20 DJED N#CCC[C@@H](N[C@@H]1CCCc2cc(F)ccc21)c1ccccc1 183370298 OLLGHNJJLGCENY-WOJBJXKFSA-N 308.400 4.838 30 20 DJED N#CCC[C@H](NC(=O)Nc1ccsc1Cl)c1ccccc1 189414705 VMGMXWMRZHAOCZ-LBPRGKRZSA-N 319.817 4.568 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(CCC)cc1 195581762 VOMPOFLLNUGACL-UHFFFAOYSA-N 308.425 4.859 30 20 DJED Cc1ncsc1/C=C\C(=O)c1ccc(SC(F)F)cc1 255546269 CIALIVOEWCPNSE-SREVYHEPSA-N 311.378 4.662 30 20 DJED CC[C@H](N[C@H](C)c1cccc(F)c1F)c1ccc(C#N)cc1 278776527 POBKBVIJPSRMIA-PXAZEXFGSA-N 300.352 4.638 30 20 DJED C[C@@H](c1cc2ccccc2o1)N(C)c1snc(Cl)c1C#N 301513442 JDGPEUJRMPHZCJ-VIFPVBQESA-N 317.801 4.612 30 20 DJED C=C(C)[C@@H](Nc1nc(C(C)C)ns1)c1ccc(F)c(F)c1 302374786 GZYFEKXHQYCXOB-CYBMUJFWSA-N 309.385 4.669 30 20 DJED CC1=C(/C(O)=N/C[C@H](/N=C(/O)C2=C(C)CCC2)C2CC2)CCC1 328606625 KOJKDIBSFPYMTN-KRWDZBQOSA-N 316.445 4.679 30 20 DJED C=CCN(Cc1cccs1)[C@H](C)c1ncc(C(C)(C)C)o1 411139692 RYHUXFBNZCBHSX-CYBMUJFWSA-N 304.459 4.783 30 20 DJED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)c1oc2ccccc2c1C 426392807 ZURQETJGSPEYQZ-HUUCEWRRSA-N 312.413 4.552 30 20 DJED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC[C@H]1c1ccccc1 460767638 CLYGVKNFVXBIRA-WMZOPIPTSA-N 324.472 4.709 30 20 DJED C[C@@H](SC1CCC(C)(C)CC1)C(=O)Nc1ccccc1C#N 468388675 VPEATSOUYZGCAQ-CYBMUJFWSA-N 316.470 4.587 30 20 DJED C=CCCCC(=O)NC[C@H](C)c1c(Cl)cccc1Cl 479651173 KFBLCQUPGZMYNE-NSHDSACASA-N 300.229 4.569 30 20 DJED CC(C)[C@@H](NCc1ccc(C#N)cc1Cl)c1ccc(F)cc1 502561167 BLABVGJIWLNGEC-GOSISDBHSA-N 316.807 4.838 30 20 DJED C=C[C@@H](CC(=O)Nc1c(C)cc(OC)c(C)c1C)c1ccccc1 515079689 BAZDLXALNXURIP-KRWDZBQOSA-N 323.436 4.919 30 20 DJED CC(C)(C#N)CCSCc1sccc1Br 520452145 NCUXZCOGBMNLRL-UHFFFAOYSA-N 304.278 4.684 30 20 DJED CC(C)Oc1c(Cl)cccc1NCc1ccc(C#N)cc1F 522800791 NZJMJPLIGOCGIC-UHFFFAOYSA-N 318.779 4.750 30 20 DJED C=C(C)COc1cccc(NC(=O)c2cc3c(F)cccc3[nH]2)c1 589553153 XJYFQAFYVBHCML-UHFFFAOYSA-N 324.355 4.514 30 20 DJED N#CCC1(CNc2ccc(Oc3ccc(Cl)cn3)cc2)CC1 594704376 BKVQXANFCYAWQV-UHFFFAOYSA-N 313.788 4.633 30 20 DJED C[C@@H]1C[C@H](CC(=O)N[C@H](C)c2ccc(C#N)cc2)CC(C)(C)C1 608935406 UDLVBQILJYXQFT-BFYDXBDKSA-N 312.457 4.588 30 20 DJED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)s1 618807277 UAKVLSRIPGFNAV-HZMBPMFUSA-N 302.830 4.611 30 20 DJED Cc1cc(C)c(C(=O)/C=C\c2ccc(O[C@@H](C)C#N)cc2)cc1C 728695807 HOBYYSOAIOAAOW-JEZWAEDTSA-N 319.404 4.799 30 20 DJED CC1(C)Cc2cccc(/C=C\C(=O)c3ccc(F)c(F)c3)c2O1 737444454 RLFILIRAWWKTLA-CLFYSBASSA-N 314.331 4.574 30 20 DJED Cc1cc(/C=C\C(=O)c2ccccc2)c(OC(F)F)cc1C 742429194 JIZDFBQJKKPYJL-HJWRWDBZSA-N 302.320 4.801 30 20 DJED CCc1ccc(C(=O)/C=C/c2cc(Cl)c(O)c(OC)c2)s1 747200369 GCEZZTPASIEMRQ-GQCTYLIASA-N 322.813 4.574 30 20 DJED N#Cc1csc(/C=C\C(=O)c2ccc(Cl)cc2Cl)c1 748439409 QBZMWJUHJQJWIO-RQOWECAXSA-N 308.189 4.823 30 20 DJED Fc1cc(Cl)c(NN=CCCC2CCOCC2)c(Cl)c1 764907279 GUOLGBMCHWAPQW-UHFFFAOYSA-N 319.207 4.737 30 20 DJED C=CCCCCNC(=O)c1sccc1-c1ccc(F)cc1 770080979 BASVIFMDJAGUDR-UHFFFAOYSA-N 303.402 4.640 30 20 DJED C#CCCCCCC(=O)Nc1ccccc1N1CCCCCC1 779773752 NYLFAOAXEZXDHO-UHFFFAOYSA-N 312.457 4.589 30 20 DJED CCC1(CC)Oc2ccc(NCc3cc(C#N)cs3)cc2O1 786832483 VIJGKDZQGZWTMS-UHFFFAOYSA-N 314.410 4.519 30 20 DJED CC1(C)C[C@@H](NN=C2CC[C@@H](c3cccc(Cl)c3)C2)CCO1 841634526 RLWBJJMYLLTMRD-PBHICJAKSA-N 320.864 4.511 30 20 DJED CCCCCCCCCn1ccc(=O)c2cnc(Cl)cc21 853720436 YMLXKLFLJGUQSL-UHFFFAOYSA-N 306.837 4.801 30 20 DJED Cc1[nH]c2ccccc2c1C(=O)/C=C/c1ccc2ncccc2c1 915114716 PRZVFGKNVZWWMT-PKNBQFBNSA-N 312.372 4.921 30 20 DJED Cc1cc(/C=C\C(=O)c2ccccc2)cc(C)c1OC(F)F 916134268 CYERZKGXWPHHRG-HJWRWDBZSA-N 302.320 4.801 30 20 DJED N#CCCCCN[C@@H](Cc1ccccc1Cl)c1ccco1 924943747 XCMGFSQXPWTSTE-INIZCTEOSA-N 302.805 4.500 30 20 DJED Cc1ccc(NN=Cc2ncccc2C(F)(F)F)cc1Cl 1116424241 BZANLNDBVDKXAW-UHFFFAOYSA-N 313.710 4.508 30 20 DJED CCC(CC)(CC)C(=O)Nc1sc2c(c1C#N)CCCC2 1124303748 TUPOVBVTCRTYBS-UHFFFAOYSA-N 304.459 4.653 30 20 DJED Cc1ccnc(N2CCCC[C@@H]2CCCc2ccccc2)c1C#N 1185888704 NCBNIFZFEYLNQN-LJQANCHMSA-N 319.452 4.644 30 20 DJED C[C@@H](Nc1c(Br)cccc1C#N)c1ccc(F)cc1 1187799615 SZECFGCLASUPAA-SNVBAGLBSA-N 319.177 4.633 30 20 DJED Cc1cc(SCc2ccc(OC(F)F)cc2)ccc1C#N 1189582159 FGMFFKJPFUIXIY-UHFFFAOYSA-N 305.349 4.760 30 20 DJED C[C@@H]1CCC[C@@H]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 1264129136 KPMACQAQIPXRBO-CHWSQXEVSA-N 316.470 4.653 30 20 DJED CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1sccc1C#N)CCC2 1267076523 PZRMRIJTQIXHML-KRWDZBQOSA-N 324.449 4.551 30 20 DJED CSc1ccccc1C(=O)/C=C\c1nccc2ccccc12 1321179531 DOBJSQYRMUCCCW-KHPPLWFESA-N 305.402 4.853 30 20 DJED C=C(C)[C@@H](NC(=O)CC(C1CC1)C1CC1)c1ccc(F)c(F)c1 1325809154 ZGBZFHKSDCYVIS-LJQANCHMSA-N 319.395 4.525 30 20 DJED C/C(=C/c1ccccc1Cl)c1nnc(-c2ccc(C#N)cc2)o1 1327885243 PNRMYLRUFNRCMB-BENRWUELSA-N 321.767 4.822 30 20 DJED N#CC1(c2nnc(-c3sc4ccccc4c3Cl)o2)CCC1 1329063321 LUVJWCVVPTWBNI-UHFFFAOYSA-N 315.785 4.550 30 20 DJED CCCCc1ccc(NC(=O)Nc2ccc(OCC#N)cc2)cc1 1339050258 USBBJZHAUOMKKP-UHFFFAOYSA-N 323.396 4.576 30 20 DJED CCC[C@@H](CC(C)C)C(=O)Nc1sc2c(c1C#N)CCCC2 1348364271 AKXVWMIHHMPRQT-ZDUSSCGKSA-N 318.486 4.899 30 20 DJED C[C@H](C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C1CCC1 1434876184 MZFCPKARFGRQNX-AWEZNQCLSA-N 320.392 4.725 30 20 DJED Cc1cc(N2CCCC[C@H]2c2cccc(C)c2C)ncc1C#N 1458216392 DAQDVNXGNFHVPO-IBGZPJMESA-N 305.425 4.610 30 20 DJED CCc1ccc([C@H]2C[C@H](C)CCN2c2cccc(F)c2C#N)o1 1472707999 NOUKPAVVFDWXSZ-FZKQIMNGSA-N 312.388 4.830 30 20 DJED CC(C)CN(C(=O)c1cccc(C#N)c1)c1cccc(Cl)c1 1521473306 BJJWECGJJCMHOE-UHFFFAOYSA-N 312.800 4.514 30 20 DJED CCC(CC)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1523649182 PKTAHNMTEWUMTH-VXGBXAGGSA-N 318.486 4.755 30 20 DJED N#Cc1cccc(N(C(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)C2CCC2)c1 1538998438 SQYUPJACESEUKZ-PMOLBWCYSA-N 322.452 4.660 30 20 DJED COc1ccc(C#N)cc1NCc1ccc(-c2ccccc2)s1 1560497859 IHAORTUNLOQFLI-UHFFFAOYSA-N 320.417 4.907 30 20 DJED CCOc1ccc(C#N)cc1N[C@@H](C)CCc1ccccc1F 1560744493 NKOGRJJDGSCPSE-AWEZNQCLSA-N 312.388 4.529 30 20 DJED CCc1c(C(=O)Nc2ccc(Cl)cc2C#N)oc2ccccc12 1586199785 LANKFBMNSDDTMR-UHFFFAOYSA-N 324.767 4.773 30 20 DJED N#Cc1cccc(N(C(=O)c2coc3ccccc23)C2CCC2)c1 1587314295 NDROVKQIAUXELL-UHFFFAOYSA-N 316.360 4.504 30 20 DJED C[C@H](NC(=O)c1ccc(C2CCCC2)cc1)c1cccc(C#N)c1 1597764340 STUMENRTERCHMY-HNNXBMFYSA-N 318.420 4.707 30 20 DJED CC[C@@H](c1ccccc1)N(CC)c1snc(Cl)c1C#N 1611893016 NUOJAJBKCQPJER-ZDUSSCGKSA-N 305.834 4.646 30 20 DJED COc1c(Oc2nc(Cl)c(C#N)s2)ccc2ccccc12 1612396348 IUIOMYOGNRYZPY-UHFFFAOYSA-N 316.769 4.622 30 20 DJED CCN(C[C@H](C)c1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 1621174055 MGBJHYKILGHWJN-HOTGVXAUSA-N 310.416 4.884 30 20 DJED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 1622780518 GCICPONEIPRVHT-HIFRSBDPSA-N 319.836 4.548 30 20 DJED Cc1cc(C)cc(C2CCN(Cc3cccc(F)c3C#N)CC2)c1 1653212518 BGOXTENUGLJFFQ-UHFFFAOYSA-N 322.427 4.694 30 20 DJED CCN(Cc1cccc(C#N)c1F)c1ccc(Cl)cc1F 1654286870 HPEOBMIOERWRPP-UHFFFAOYSA-N 306.743 4.516 30 20 DJED N#C[C@H]1CC[C@@H](NCc2ccc(-c3ccc(Cl)cc3)s2)C1 1658163995 KFORVEYNJJQVCZ-SWLSCSKDSA-N 316.857 4.850 30 20 DJED CCC[C@@H]1CCCN1C(=O)Nc1scc(C(C)(C)C)c1C#N 1677865143 ORWNQOJSLMBNBC-GFCCVEGCSA-N 319.474 4.714 30 20 DJED CC(C)c1ccccc1/C=C1/C[C@@H](C(=O)O)c2ccccc2C1=O 1776378093 RCELILDXUUKVFN-ILCZHQDMSA-N 320.388 4.648 30 20 DJED CCCC[C@@H](CC)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 6042848 XPMQDHHMZRBEFN-QWHCGFSZSA-N 318.486 4.899 30 20 DJED CN(Cc1ccc(Cl)c(Cl)c1)Cc1ccc(C#N)cc1F 11228985 JDARYYDUFZDYSQ-UHFFFAOYSA-N 323.198 4.636 30 20 DJED O=C(/C=C/c1csc(Br)c1)c1cccc(F)c1 31823870 OGLLFDOOTLVHQL-SNAWJCMRSA-N 311.175 4.546 30 20 DJED Cc1ccc(C#N)cc1NC(=O)c1cc(F)c(Cl)cc1Cl 63961332 BYYAWWUVZROSIZ-UHFFFAOYSA-N 323.154 4.565 30 20 DJED C[C@H](NCc1ccc(-c2ccc(F)cc2)o1)c1ccc(C#N)cc1 75755803 RZCPKFNEWYWUPH-AWEZNQCLSA-N 320.367 4.808 30 20 DJED CC(C)c1ccc(/C=C\C(=O)c2cccs2)cc1[N+](=O)[O-] 96766404 KJLYCBBBWFKCKQ-VURMDHGXSA-N 301.367 4.676 30 20 DJED CC(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 123190881 NQKPAZIZJVPAFJ-INIZCTEOSA-N 312.800 4.590 30 20 DJED N#Cc1ccc(CNc2ccccc2N2CCCCCC2)cc1 124482135 QCKZQSLIXKLLSY-UHFFFAOYSA-N 305.425 4.551 30 20 DJED CCC(C)(C)C1CCC2(CC1)C[C@@H]2/C(O)=N/[C@H]1CCCN=C1O 329057011 IKQKSHFRNIBJGU-QXGUJMOYSA-N 320.477 4.695 30 20 DJED CC(C)C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccn1 341878821 SQALGTHIZVRNHM-CTNGQTDRSA-N 319.452 4.708 30 20 DJED C=CCC[C@H](NCc1nccn1-c1ccccc1)c1ccccc1 359700336 NVBYRXHQMJJSNQ-FQEVSTJZSA-N 317.436 4.669 30 20 DJED N#CC1(CCCOc2ccc(C3CC3)cc2Cl)CCOCC1 419036582 BLKOVWOYZCBMDP-UHFFFAOYSA-N 319.832 4.697 30 20 DJED C[C@H](NCc1ccc(C2CCC2)cc1)c1ccc(C#N)c(F)c1 426026791 CPUXTRUPXYKEPB-AWEZNQCLSA-N 308.400 4.816 30 20 DJED C[C@@H](SCc1ccc(F)cc1C#N)c1ccccc1[N+](=O)[O-] 437265564 BXYZYYICMCBKDX-LLVKDONJSA-N 316.357 4.600 30 20 DJED C=CCC1(C(=O)N2Cc3cccc(Cl)c3C2)CCCCC1 451765503 PGGGMWSVONZHDQ-UHFFFAOYSA-N 303.833 4.709 30 20 DJED CC[C@H](CC#N)N[C@@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 468476284 SBTLPHXCZLXPSG-XJKCOSOUSA-N 311.256 4.911 30 20 DJED N#Cc1cnc2ccccc2c1N1CCC[C@@H]1c1ccsc1 486928779 OIENIQRHSAOYFE-QGZVFWFLSA-N 305.406 4.509 30 20 DJED CC(C)(C)Oc1cc(F)ccc1NCc1ccc(C#N)s1 498353719 NDRHQBNBHZPDPP-UHFFFAOYSA-N 304.390 4.548 30 20 DJED N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC=CCC2)cc1 507904918 LOGWQTGNVNXRET-HNNXBMFYSA-N 318.376 4.645 30 20 DJED Cc1cc(F)ccc1-c1ccc(CN(CCC#N)CC2CC2)o1 513716454 CAESEMILLWERPV-UHFFFAOYSA-N 312.388 4.520 30 20 DJED C[C@H]1CC[C@H](C(=O)Nc2sc(-c3ccccc3)cc2C#N)C1 540645977 SAUSGNWQQNQGBK-JSGCOSHPSA-N 310.422 4.661 30 20 DJED CCOc1cccc2cc([C@H](C)Nc3nccc(C)c3C#N)oc12 543206218 JJCBKJXAXGGFAE-ZDUSSCGKSA-N 321.380 4.580 30 20 DJED Cc1ccc(C)c2c(C)c(C(=O)Nc3ccccc3CC#N)oc12 550101886 WNRNDLLGBVQNDO-UHFFFAOYSA-N 318.376 4.676 30 20 DJED C=CCC(C)(C)c1noc(-c2oc(-c3ccccc3)nc2C)n1 556364416 ZPJLDOJYVKTDEO-UHFFFAOYSA-N 309.369 4.554 30 20 DJED CC[C@@H]1CCCC[C@@H]1c1noc(C[C@H](CC#N)c2ccccc2)n1 560049932 WUSKPYRITNWXIP-NJAFHUGGSA-N 323.440 4.993 30 20 DJED N#Cc1cccc(CNc2ccc(-c3ccco3)cc2F)c1F 573171844 NNRWVFYWYTYNKF-UHFFFAOYSA-N 310.303 4.709 30 20 DJED CC(C)c1ccc2c(c1)[C@H](N[C@@H]1CCc3ccc(C#N)cc31)CC2 573452809 YHZDKAOAUVAGLV-FGZHOGPDSA-N 316.448 4.946 30 20 DJED C=CCC[C@@H](NCc1c(F)cc(F)c(F)c1F)c1ccco1 579935021 IBZFALIIBWBAKH-CYBMUJFWSA-N 313.294 4.633 30 20 DJED N#Cc1ccc2c(c1)[C@H](Nc1ccc3nc(C4CC4)oc3c1)CC2 589342887 QEBLFMAWSQNIHU-QGZVFWFLSA-N 315.376 4.676 30 20 DJED CC(C)(C)N(Cc1ccsc1)C(=O)CC1(C#N)CCCCC1 598857905 RQTFWTFAWRLGQH-UHFFFAOYSA-N 318.486 4.739 30 20 DJED CCc1c(C)sc(NC(=O)[C@H](C)c2cccc(C)c2)c1C#N 610044138 VVFVRHVPNOHBKL-GFCCVEGCSA-N 312.438 4.541 30 20 DJED N#Cc1ccc(NC(=O)CCc2cc3ccccc3o2)cc1Cl 610933127 FISJMYPLENMFKV-UHFFFAOYSA-N 324.767 4.529 30 20 DJED CC[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cc(C)ccc1OC 618806070 NRSHKKFQBODTKF-VQTJNVASSA-N 320.436 4.604 30 20 DJED Cc1cccc2cc(C(=O)[C@H](C#N)c3nc(C4CC4)cs3)oc12 647377475 MKQVBLZDDLWBSM-ZDUSSCGKSA-N 322.389 4.565 30 20 DJED C=C(CNC(=O)Nc1c(C)cc(C)cc1Cl)c1ccccc1 672602722 NLCUAQPGMZRHKL-UHFFFAOYSA-N 314.816 4.792 30 20 DJED N#Cc1cccc(OCc2cccc(Cl)c2Br)c1 719512335 XEPFCQGYIULZBJ-UHFFFAOYSA-N 322.589 4.553 30 20 DJED CSc1ccc(C(C)=NNc2ccc(OC(F)F)cc2)cc1 726429392 NEJUFBSYPMQENT-UHFFFAOYSA-N 322.380 4.846 30 20 DJED C#Cc1cccc(NC(=O)[C@@H](SCc2ccccc2)C(C)C)c1 727300439 HQAWVCPXAPUHCL-IBGZPJMESA-N 323.461 4.564 30 20 DJED CCN(CC)c1ccc(/C=C\C(=O)c2ccsc2)cc1F 739424714 KLSBUMVWUVXXDS-VURMDHGXSA-N 303.402 4.630 30 20 DJED CCCCCCCCOCC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 742897145 GHKMMSDXHFVAFD-FXAWDEMLSA-N 317.473 4.583 30 20 DJED COc1ccc2cc(C(=O)/C=C/c3ccc(C#N)s3)ccc2c1 748995271 YOXUTXJSEGAJBO-CMDGGOBGSA-N 319.385 4.678 30 20 DJED Cc1c(C(=O)/C=C\c2cc(F)c(O)c(F)c2)oc2ccccc12 749890982 FRPXFESOJHLGEK-SREVYHEPSA-N 314.287 4.621 30 20 DJED C[C@H](C#N)Oc1ccc(CNc2cccc3ccsc23)cc1 752099475 HEFDFYYNKBHHHP-CYBMUJFWSA-N 308.406 4.804 30 20 DJED Fc1ccc(/C=C\C=NOc2ccccc2C(F)(F)F)cc1 754712329 MKHKUSJLBGCQRH-SFKKUABISA-N 309.262 4.923 30 20 DJED COc1cc(/C=C/C(=O)c2cc(F)cc(F)c2)ccc1SC 755703450 BDILINDCYVUFAE-HWKANZROSA-N 320.360 4.591 30 20 DJED CCCCCCCCC(=O)N1CCc2c([nH]c3ccccc23)C1 760026431 ZJBSCGHGRADVTK-UHFFFAOYSA-N 312.457 4.803 30 20 DJED Cc1cc(CNc2cc(F)c(OC(C)C)c(F)c2)ccc1C#N 767685447 VOBVOJQDFTWSNH-UHFFFAOYSA-N 316.351 4.544 30 20 DJED COc1ccccc1-c1ccc(C=NOCCC(F)(F)F)cc1 777461209 WICHAEPJMWZSKK-UHFFFAOYSA-N 323.314 4.665 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1cc2cccc(Cl)c2o1 787947024 YNJHCHKLCJNGSI-UHFFFAOYSA-N 318.804 4.631 30 20 DJED Clc1sccc1C=NNc1ccccc1Br 790154332 SPUFVOGZEQESHF-UHFFFAOYSA-N 315.623 4.610 30 20 DJED CC(C)(C)c1cnc(/C=C/C(=O)c2cccc(F)c2F)s1 790608245 FGJFHRLTMRUEEU-BQYQJAHWSA-N 307.365 4.615 30 20 DJED Cc1ccc(-c2nc(/C=C\C(=O)c3ccnc(F)c3)cs2)cc1 794719438 LANVXTCJPKAPSU-SREVYHEPSA-N 324.380 4.549 30 20 DJED CCC[C@](C)(CC)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797570985 MQVCVDIUADDFLV-PXAZEXFGSA-N 306.475 4.833 30 20 DJED FC(F)(F)c1cccnc1NN=C1CC[C@H](c2ccccc2)C1 814802001 WLCPHTJGLINRJT-ZDUSSCGKSA-N 319.330 4.836 30 20 DJED Cc1cnc(/C=C\C(=O)c2ccc(OC(C)(C)C)cc2)s1 834434871 VVVGHNXXCCRXCG-KTKRTIGZSA-N 301.411 4.525 30 20 DJED Cc1ccc([C@@H](C)C(=O)Nc2scc(C(C)(C)C)c2C#N)o1 839369703 NNIAGPRZPQQBLC-LLVKDONJSA-N 316.426 4.561 30 20 DJED CCC(=NNc1nc2ccc(Cl)cc2s1)C1CCOCC1 853439038 YVRALZOJAKOEFK-UHFFFAOYSA-N 323.849 4.554 30 20 DJED C#CCCCCCCNc1cccc(C[S@@](=O)C(C)(C)C)c1 876861796 DNABXPZGEBDMAD-JOCHJYFZSA-N 319.514 4.729 30 20 DJED C#CC[C@H](N[C@@H](C)c1ccc(C(F)(F)F)cn1)c1ccccc1 902888007 OWIKYXFGFLCULU-GUYCJALGSA-N 318.342 4.516 30 20 DJED O=C(/C=C/c1cc(Cl)ccc1OC(F)F)c1cccc(O)c1 915985784 XFTQBYLJYYMMCK-GQCTYLIASA-N 324.710 4.543 30 20 DJED CCCCCCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 916074049 KXIZTEPGJZQHDF-UHFFFAOYSA-N 323.396 4.654 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)C=C(C1CC1)C1CC1 917606999 MYZFJLGMAOUJOR-UHFFFAOYSA-N 321.873 4.663 30 20 DJED Cc1ccc(NC(=O)C(C)(C)C)cc1N[C@@H](C)CC(C)(C)C#N 926088988 OZBSYBKEUVJTQO-AWEZNQCLSA-N 315.461 4.720 30 20 DJED CCC1(CC)CCCN(C(=O)CC2(C#N)CCCCC2)CC1 1128013363 GJHMMTZJLBYFJO-UHFFFAOYSA-N 304.478 4.669 30 20 DJED CCCCc1ccc(C(=O)Nc2cc(C#N)ccc2NCC)cc1 1137525615 AQZOTKLLMNNOAC-UHFFFAOYSA-N 321.424 4.585 30 20 DJED Cc1cc(C#N)ccc1CN1c2ccccc2CC[C@@H]1C(C)C 1193022005 NZALXIKXJLDSPD-HXUWFJFHSA-N 304.437 4.844 30 20 DJED C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(Cl)c(F)c1 1254215736 LEBFAIJQKXRFRI-QWRGUYRKSA-N 320.770 4.902 30 20 DJED C=C(CNC(=O)c1csc2cc(C)ccc12)c1ccccc1 1274942804 XPTZOCJNSHKJMR-UHFFFAOYSA-N 307.418 4.653 30 20 DJED CC[C@H](C)CCNC(=O)c1ccccc1Oc1ccccc1C#N 1278643426 AKOTZDNKCYOMFC-HNNXBMFYSA-N 322.408 4.517 30 20 DJED C[C@@H]1C[C@@H]1c1ccc(CN(c2cccc(F)c2C#N)C2CC2)o1 1306927988 NEFJJDITEOWUPU-DOMZBBRYSA-N 310.372 4.583 30 20 DJED N#Cc1cccc(CN2C[C@@H]3CCCC[C@]32c2ccccc2)c1F 1307534364 JDVNUKAFGGGEPI-FPOVZHCZSA-N 320.411 4.599 30 20 DJED CN(Cc1ccc(Cl)cc1C#N)[C@@H]1CCC[C@@H]1C(C)(C)C 1307853043 OYBBYRJPAYGCQR-DLBZAZTESA-N 304.865 4.858 30 20 DJED C[C@H](CCC(C)(C)C)NC(=O)Nc1ccc(C#N)c(Cl)c1 1310043254 CZJZPKOPZCEPNL-LLVKDONJSA-N 307.825 4.548 30 20 DJED CCc1c(C)sc(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)c1C#N 1361137943 NKOFXOKHOSSFRW-HDJSIYSDSA-N 318.486 4.892 30 20 DJED Cc1c(Nc2nc(C(C)(C)C)ccc2C#N)cnn1C1CCCC1 1458346703 MIFWJVRYZTZTOC-UHFFFAOYSA-N 323.444 4.614 30 20 DJED Cc1ccc([C@@H]2[C@@H](C)CCCN2CCc2ccc(C#N)cc2)cc1 1459654960 YRKPXZYJXSAFAE-AVRDEDQJSA-N 318.464 4.882 30 20 DJED CC(C)c1ccc2c(c1)[C@H](NCc1ccc(C#N)cc1)CCC2 1461416881 OPCRDNCMUQDUTM-OAQYLSRUSA-N 304.437 4.849 30 20 DJED Cc1ccc(C)c([C@@H](C)OC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1 1527936253 OYLRTGSSAWPMKJ-UIAACRFSSA-N 319.404 4.583 30 20 DJED CC[C@H](C)c1ccc([C@@H](NCc2cc(C#N)ccn2)C(C)C)cc1 1559630023 CGGXYVKJZDKKCP-KKSFZXQISA-N 321.468 4.954 30 20 DJED C[C@H]1C[C@H](C(=O)N(c2ccc(C#N)cc2)C2CCC2)CC[C@H]1C 1586911901 MGBOHXVILWMUBD-HLLBOEOZSA-N 310.441 4.516 30 20 DJED CN(Cc1cc(Cl)ccc1OCC#N)C1CCC(C)(C)CC1 1642012197 BXLIKDQZZHDRDK-UHFFFAOYSA-N 320.864 4.643 30 20 DJED CCc1nnc(Nc2ccc(CCC(C)C)cc2)c(C#N)c1CC 1642169630 WGOYWVNTDRLASB-UHFFFAOYSA-N 322.456 4.805 30 20 DJED Cc1ccc(N(Cc2ccc(F)cc2C#N)CC(C)C)c(C)c1 1646919806 FBDUWAYQXLKRSP-UHFFFAOYSA-N 310.416 4.977 30 20 DJED N#Cc1c(Cl)nsc1Nc1cccc(OC2CCCC2)c1 1650578369 KATRFKJXTZAMPV-UHFFFAOYSA-N 319.817 4.733 30 20 DJED C[C@H](Nc1ncccc1C#N)[C@@H](C)c1ccccc1C(F)(F)F 1651654665 LIIBWQSMZKFVJV-NEPJUHHUSA-N 319.330 4.576 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@H]1CCCCC1(F)F 1652554757 JHMBMJBYVGJCGT-KURKYZTESA-N 318.411 4.584 30 20 DJED COc1ccc(CNCC2CCC(C(C)(C)C)CC2)cc1C#N 1655796881 YTSYLIULGIMUGQ-UHFFFAOYSA-N 314.473 4.509 30 20 DJED CC[C@@H](C)c1ccc(/C=C\C(=O)c2csc(C(=O)O)c2)cc1 1776698373 MGKLVXFMESCELS-OJIASSBASA-N 314.406 4.856 30 20 DJED CCCCc1ccc(C(=O)/C=C/c2cc(C(=O)O)c(C)o2)cc1 1776805978 MJMZGRDOOGOHBJ-ZHACJKMWSA-N 312.365 4.525 30 20 DJED Cc1cc(Cl)cc(C)c1/C=C\C(=O)c1csc(C(=O)O)c1 1777423377 DMUCXADIOVAJCY-ARJAWSKDSA-N 320.797 4.613 30 20 DJED N#CCCCOc1cccc(CNc2ccc3ncsc3c2)c1 120693628 OSJATFYYWRTNBC-UHFFFAOYSA-N 323.421 4.591 30 20 DJED N#Cc1cccc(CNc2ccc(COC3CCCC3)cc2)c1 153047538 JVWDOUJEGKLTGD-UHFFFAOYSA-N 306.409 4.630 30 20 DJED Cc1c(C(=O)N[C@H](CCC#N)c2ccccc2)oc2ccccc12 153477275 KRHKFJXIQGBCCK-QGZVFWFLSA-N 318.376 4.516 30 20 DJED C[C@@H](NCc1ccc(F)cc1C#N)c1cccc(C(F)(F)F)c1 181609219 JIDJUNJZGHLENW-LLVKDONJSA-N 322.305 4.567 30 20 DJED C=CCC1(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CCC1 191899184 RQMIDLMSZSHTTO-AWEZNQCLSA-N 314.454 4.623 30 20 DJED Cc1c(C(=O)N(CC#N)c2ccccc2)sc2ccc(F)cc12 195115455 YTESGCVROCWKTR-UHFFFAOYSA-N 324.380 4.519 30 20 DJED C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1cccc2ccccc12 301910552 XNYPCCXUZLAJJU-CYBMUJFWSA-N 317.348 4.793 30 20 DJED CCCOc1cc(/C=C2/Cc3ccc(C)cc3C2=O)ccc1OC 303337049 XQPMPNAJRBDOEV-BOPFTXTBSA-N 322.404 4.615 30 20 DJED C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccccc1 303882073 YOTFPFSLTURRAM-UHFFFAOYSA-N 321.298 4.523 30 20 DJED OC1=NCc2ccc(N=C(O)[C@@H]3CC[C@@H]4CCCC[C@H]4C3)cc21 328768644 IESFBXHQZXFVBS-MELADBBJSA-N 312.413 4.699 30 20 DJED C=CC[C@H](C(=O)Nc1cccc2ccc(O)cc12)c1ccccc1 427620392 GZZNXQIOCNVVNS-SFHVURJKSA-N 317.388 4.844 30 20 DJED Cc1oc(C#N)cc1C(=O)Nc1ccc(C(C)C)cc1C(C)C 436062364 DWARCRWDABPRRI-UHFFFAOYSA-N 310.397 4.959 30 20 DJED C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1CCCCC#N 441062614 NJGNDMZFKWTUGV-GCJKJVERSA-N 318.464 4.759 30 20 DJED CC[C@H](CC#N)N[C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 442856611 RDACUCCUJKPGNV-FVQBIDKESA-N 310.363 4.623 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2cccc3[nH]ccc23)CCCC1(C)C 445240800 FWYXBSLVRJWOCG-KRWDZBQOSA-N 311.429 4.767 30 20 DJED CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1Cl 452649858 ULPQRRQLWGIBNF-KBPBESRZSA-N 304.821 4.561 30 20 DJED CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(CC#N)cc1Cl 452649866 ULPQRRQLWGIBNF-ZIAGYGMSSA-N 304.821 4.561 30 20 DJED C[C@H]1CCC[C@H](CC(=O)Nc2ccc(CC#N)cc2Cl)C1 452653305 ZLHDZLGSRHQJQS-JSGCOSHPSA-N 304.821 4.561 30 20 DJED C=C(C)[C@H](N[C@H](CC)c1ccncc1)c1ccc(F)c(F)c1 453195520 KMVICJHHOPPNLQ-MSOLQXFVSA-N 302.368 4.718 30 20 DJED C=CCCCCCN(C)C(=O)[C@@H](C)CCc1ccccc1F 464058085 PXFRMQDMFBVMME-INIZCTEOSA-N 305.437 4.599 30 20 DJED CCC1CCC(N(C)C(=O)C[C@H](CC#N)c2ccccc2)CC1 474777708 SZHZUNPEUAXOGE-AVAKVYKDSA-N 312.457 4.501 30 20 DJED C=CCN(Cc1ccccc1)Cc1coc(-c2cccc(F)c2)n1 502645423 APOZQPMYSMBGGA-UHFFFAOYSA-N 322.383 4.669 30 20 DJED N#Cc1ccc(N[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1Cl 505779915 ZNHVTJAGLKYNJP-ROUUACIJSA-N 312.800 4.544 30 20 DJED CC(C)(C)CN(CCC#N)C(=O)CCC(C)(C)c1ccccc1 513776471 GHVRWYIOZXXSIM-UHFFFAOYSA-N 314.473 4.533 30 20 DJED C=CC[C@H](C)NC(=O)c1ccc(SCc2ccccc2)cc1 523954788 DGYITFLLBKRLLR-HNNXBMFYSA-N 311.450 4.673 30 20 DJED C[C@@H](N[C@H]1CCCc2ccc(Cl)cc21)c1ccc(C#N)cc1 534235601 OFAWVNKDLPQINX-YJYMSZOUSA-N 310.828 4.940 30 20 DJED CCCCN(C(=O)c1ccc(CC#N)cc1)[C@@H](C)c1ccccc1 535397257 KDIREJRKLAEGRX-KRWDZBQOSA-N 320.436 4.756 30 20 DJED C=CCC[C@H](NCc1cnc(OC)c(Cl)c1)c1ccccc1 537154777 FTQNQAYYMAMAIH-KRWDZBQOSA-N 316.832 4.541 30 20 DJED C=CCN1CCC(N[C@H](CC(C)(C)C)c2ccc(F)cc2)CC1 537296941 ZIOMRWNNXSJOHQ-LJQANCHMSA-N 318.480 4.543 30 20 DJED N#CCc1ccc(CN[C@H](c2ccc(F)cc2)C2CCCC2)cc1 543186992 ZUCPIOXXPIDWRV-NRFANRHFSA-N 322.427 4.913 30 20 DJED CC[C@H](C)c1ccc([C@H](NCc2ccc(C#N)cn2)C(C)C)cc1 569822846 VPUINAPZZXSMOJ-HRAATJIYSA-N 321.468 4.954 30 20 DJED CC[C@H](C)Oc1ccc(-c2noc(CCCCCC#N)n2)cc1 589128263 SSIOBSLFRUINFE-AWEZNQCLSA-N 313.401 4.540 30 20 DJED Cc1nc(-c2ccc(OCc3ccc(F)cc3C#N)cc2)cs1 609311690 PDKWTSZPJOLMPH-UHFFFAOYSA-N 324.380 4.708 30 20 DJED N#Cc1cccc(NC(=O)C2(Sc3ccccc3)CCCC2)c1 609483101 JUPPTUNVWYLVDW-UHFFFAOYSA-N 322.433 4.602 30 20 DJED C[C@H](C(=O)Nc1ccccc1S[C@H](C)CC#N)C1CCCC1 610522690 KYXJCLWATRYTKC-KGLIPLIRSA-N 316.470 4.846 30 20 DJED C[C@@]1(C#N)CCCN(Cc2ccc(-c3ccccc3Cl)o2)C1 612406339 KGZYFMIUTPCPRR-SFHVURJKSA-N 314.816 4.726 30 20 DJED C=CC[C@H]1CCCN(C(=O)Nc2cc(OCC)ccc2Cl)C1 667176919 ITBVSTRJUFLWDQ-ZDUSSCGKSA-N 322.836 4.559 30 20 DJED CC(=NNc1nc2ccccc2s1)c1ccc(F)cc1Cl 730542528 YQTCKICCIVPGOS-UHFFFAOYSA-N 319.792 4.925 30 20 DJED CC(=NNc1ccc(F)cn1)c1ccc2c(c1)Cc1ccccc1-2 731321803 PAMUVYAVVPUXRY-UHFFFAOYSA-N 317.367 4.628 30 20 DJED CC(=NNc1ccccc1)c1cnn(-c2cc(C)ccc2C)c1C 741759206 HIYFRBVIOGXSOG-UHFFFAOYSA-N 318.424 4.634 30 20 DJED O=C(/C=C\c1csc2ccccc12)c1ccc2c(c1)COC2 742435846 AUXSYDJPDZDKQQ-FPLPWBNLSA-N 306.386 4.828 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2ccc(-c3ccncc3)cc2)cc1 745990197 NGFDMPXRPZTJBG-YHYXMXQVSA-N 310.356 4.516 30 20 DJED O=C(/C=C\c1ccc(Cl)nc1)c1ccc(-c2ccncc2)cc1 749006613 YYDSNDDSLIYFEE-XFSBKJJWSA-N 320.779 4.693 30 20 DJED C(=NNc1cccc2ccccc12)[C@H]1CCOc2ccccc21 752164146 CUKIBIZYMFXEIZ-MRXNPFEDSA-N 302.377 4.804 30 20 DJED FC(F)(F)c1ccccc1ON=Cc1cccc2cccnc12 754708695 BTIQBSIXKLVHGB-UHFFFAOYSA-N 316.282 4.667 30 20 DJED C=C(C)CCOC(=O)CCC(=O)c1cc(Cl)sc1Cl 756295735 CEJBJDGTPUQEIV-UHFFFAOYSA-N 321.225 4.527 30 20 DJED CCc1oc2ccccc2c1C=NNc1ccc(F)cc1OC 761885728 YNQJUCRPVVDSFD-UHFFFAOYSA-N 312.344 4.589 30 20 DJED CC(=NNC[C@@H](C)C#N)c1ccc(-c2ccccc2Cl)s1 771098895 ODFOJFGYTCCXOC-NSHDSACASA-N 317.845 4.542 30 20 DJED O=C(/C=C/c1ccc(F)cc1C(F)(F)F)c1cccs1 771844150 GJNXNAKCEBIBJN-GQCTYLIASA-N 300.276 4.802 30 20 DJED O=C(/C=C/c1cnc2ccc(Cl)cn12)c1csc(Cl)c1 787187144 XQTLFZZIGVTKDK-NSCUHMNNSA-N 323.204 4.599 30 20 DJED C#CC[C@@H](NC[C@H](OC(C)C)c1ccccc1)c1ccccc1 794459580 DABBRXUIXKKDHT-RTWAWAEBSA-N 307.437 4.507 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc(C(F)F)cc2)cc1F 794937624 HLXYJQQDOUFJHC-YWEYNIOJSA-N 306.283 4.668 30 20 DJED C=C(C)CCc1noc(-c2ccnc(SC(C)(C)C)c2)n1 795770677 WPRKVRKXYOLOQK-UHFFFAOYSA-N 303.431 4.531 30 20 DJED CCCC[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 800388200 ZFHLZPNIKBALDW-ZFWWWQNUSA-N 312.438 4.813 30 20 DJED CCCCCCCCCC(=O)N[C@H](C)c1c(F)cncc1F 804824150 JPRURJUGPDTLFF-CYBMUJFWSA-N 312.404 4.678 30 20 DJED Clc1ccc(NN=C2CCCC[C@@H]2C2=CCCCC2)nn1 814697740 AJSWRRLBJBAFFL-CYBMUJFWSA-N 304.825 4.589 30 20 DJED CCCCn1nc(C)c(C=NNc2cc(C)cc(C)c2)c1Cl 916346434 ARRDNMAQXUTYQQ-UHFFFAOYSA-N 318.852 4.708 30 20 DJED C=CCN(C(=S)Nc1cc(Cl)cc(Cl)c1)C(C)C 917589005 CWWQZANCVLJYPX-UHFFFAOYSA-N 303.258 4.587 30 20 DJED C[C@H](OC(=O)/C=C\c1ccccc1C#N)c1cccc(Cl)c1 918768069 NYWMXGDBURKRJH-XPSMFNQNSA-N 311.768 4.529 30 20 DJED C[C@H](CC(C)(C)C#N)NC(c1cccs1)c1cccs1 925448675 BUZHXBGAJNATID-GFCCVEGCSA-N 304.484 4.817 30 20 DJED CC(C)c1nnc(-c2ccc(Oc3cccc(F)c3C#N)cc2)o1 1118065040 CYUSUGIHJJQXMU-UHFFFAOYSA-N 323.327 4.663 30 20 DJED C=C[C@](C)(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)o1 1118433637 XASOMTHVEYGMBL-BDJLRTHQSA-N 306.793 4.717 30 20 DJED Cc1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)cc1C#N 1128787840 XYMGBLXRKFUGGV-UHFFFAOYSA-N 312.372 4.786 30 20 DJED N#Cc1cccc(C#N)c1Nc1cccc(-c2cccs2)c1 1162361436 OMWYGGIEEUFAJX-UHFFFAOYSA-N 301.374 4.902 30 20 DJED C[C@@H]1Sc2ccccc2N(Cc2ccc(C#N)s2)[C@@H]1C 1167813362 WHFJSOZFXPEKLO-NEPJUHHUSA-N 300.452 4.509 30 20 DJED Cc1ccc(C#N)c(Oc2ccc(SC(F)(F)F)cc2)n1 1186388910 YERAEOOWJGBJOB-UHFFFAOYSA-N 310.300 4.666 30 20 DJED CC(C)(CNc1c(Br)cccc1C#N)C1CCCC1 1307071249 DHDTYGZDPIKLRJ-UHFFFAOYSA-N 321.262 4.949 30 20 DJED Cc1nc(N[C@@H](C)c2ccc(Cl)c(F)c2)c(Cl)cc1C#N 1307073222 RQRVLHLJRXGEGS-QMMMGPOBSA-N 324.186 4.881 30 20 DJED C[C@H](CCC#N)CNc1cc(F)ccc1NC(=O)OC(C)(C)C 1331075930 ZOHUJZVRKGJDOJ-GFCCVEGCSA-N 321.396 4.524 30 20 DJED CC1CC(C(=O)Nc2ccc(C#N)cc2)(c2cccc(Cl)c2)C1 1349962427 ZJZBOQKSPSHYMW-UHFFFAOYSA-N 324.811 4.518 30 20 DJED CCC[C@H](CC)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1357964300 AATGCKUHBGFVLU-HNNXBMFYSA-N 323.396 4.510 30 20 DJED CCc1ccc(C2=CCN(c3cccc(F)c3C#N)CC2)cc1 1458295223 FKYAANLUYDPTAJ-UHFFFAOYSA-N 306.384 4.553 30 20 DJED Cc1c(C#N)cccc1NC(=O)NC1CC(C)(C)CC(C)(C)C1 1465873180 NWTDFMPELZHNFJ-UHFFFAOYSA-N 313.445 4.593 30 20 DJED N#Cc1nc(Oc2cc(Cl)cc(Cl)c2)sc1Cl 1472637785 OUBAIQKWRYBUFW-UHFFFAOYSA-N 305.573 4.767 30 20 DJED CC(C)CC(CC(C)C)NC(=O)Nc1ccc(C#N)cc1Cl 1476275481 FJHYFLDPYHNNPY-UHFFFAOYSA-N 321.852 4.794 30 20 DJED CCCCc1ccc(CC(=O)O[C@H](C)c2ccc(C#N)cc2)cc1 1515123169 CVOJVYXQQJHITA-MRXNPFEDSA-N 321.420 4.748 30 20 DJED CC1(C)C[C@]1(C(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 1525623217 RCRNYUHQXWFMQM-LJQANCHMSA-N 324.811 4.518 30 20 DJED C[C@H]1C[C@@H](C)Cc2c1sc(NC(=O)C(C)(C)C1CC1)c2C#N 1527033020 YEUHEPFZJVOBPD-MNOVXSKESA-N 316.470 4.680 30 20 DJED Cc1c(Cl)cnc(N[C@@H](C)Cc2ccccc2Cl)c1C#N 1559071421 PJYZHOGUMAEQGA-JTQLQIEISA-N 320.223 4.612 30 20 DJED N#Cc1cc(Nc2cccc(CSC3CCCCC3)c2)ncn1 1611991110 VGZNABNJMPTLGX-UHFFFAOYSA-N 324.453 4.658 30 20 DJED C[C@H](c1ccccc1)c1ccc(Oc2cccc(C#N)n2)cc1 1639447278 SRSRRGAWQLSGES-OAHLLOKOSA-N 300.361 4.897 30 20 DJED C[C@@H](Nc1cccc(C#N)n1)c1ccc(Cl)c2ccccc12 1642610046 OGMGVZKETQOAOT-GFCCVEGCSA-N 307.784 4.933 30 20 DJED Cc1ccnc(N2CC3(CCCCC3)[C@H]2c2ccccc2)c1C#N 1655547836 YPKBAKSCYDQZPT-LJQANCHMSA-N 317.436 4.774 30 20 DJED Cc1cc(C)cc(NC(=O)Nc2cc(C#N)ccc2OC(C)C)c1 1658658904 FIAKOHPAQSLYRD-UHFFFAOYSA-N 323.396 4.606 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)CCC1CCCCC1 1675080057 MECIZBALKGOZHW-HNNXBMFYSA-N 313.445 4.737 30 20 DJED CC(C)=CCC[C@@H](C)CC=NNc1ccc(F)c(C(=O)O)c1 1776061116 GIUNGOBDNLWDCS-CYBMUJFWSA-N 306.381 4.694 30 20 DJED CC(C)c1cccc(C(=O)/C=C/c2cccc(C(=O)O)c2F)c1 1776375354 IWQNLGMDJXPPGM-MDZDMXLPSA-N 312.340 4.543 30 20 DJED O=C(O)c1cccc(C(=O)/C=C/c2cc(Cl)ccc2Cl)c1 1777684837 HQAIPEGZFHHAAR-QPJJXVBHSA-N 321.159 4.588 30 20 DJED N#CCCCSc1nnc(-c2ccc(F)cc2)c2ccccc12 4463059 RVKOPADICLIHHG-UHFFFAOYSA-N 323.396 4.832 30 20 DJED Cc1ccc(C[C@@H](C#N)Sc2ccc3ccccc3n2)cc1 7040666 SWYVKVBLNPLBFO-KRWDZBQOSA-N 304.418 4.770 30 20 DJED N#C[C@@H](C(=O)c1ccc2ccccc2c1)c1ccc2ccccc2n1 48852349 FEHICSVBGBSTPE-LJQANCHMSA-N 322.367 4.878 30 20 DJED N#Cc1cccc(CSCc2ccc(Br)cc2)c1 58238484 VKDQTNSBCCSQBH-UHFFFAOYSA-N 318.239 4.754 30 20 DJED CCCOc1cccc(NCc2cccc(OCCCC#N)c2)c1 80192539 KFSJFRFMUUQWTQ-UHFFFAOYSA-N 324.424 4.770 30 20 DJED CC[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(OC)cc1 90664899 QRFFMZJBYKCKPU-PMACEKPBSA-N 308.425 4.781 30 20 DJED Cc1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1Br 109432880 WXOOJFFLIQMWMR-GFCCVEGCSA-N 315.214 4.802 30 20 DJED CCN(C(=O)c1coc2ccccc12)[C@H](C)c1ccc(C#N)cc1 113023771 CXNZDYZYSHNAQE-CQSZACIVSA-N 318.376 4.528 30 20 DJED N#Cc1ccc(CN[C@H]2CCc3c2ccc(Cl)c3Cl)cc1 113346209 BJSCVQYKMIPYQC-INIZCTEOSA-N 317.219 4.642 30 20 DJED N#C[C@H](C(=O)C1=CCCCC1)c1nc2cc(Cl)ccc2s1 123396665 PLBWVDPTIXNGJC-GFCCVEGCSA-N 316.813 4.626 30 20 DJED C[C@@H](N[C@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccc(C#N)cc1 154332634 CRRWAEKSYFPPOC-ACJLOTCBSA-N 324.399 4.650 30 20 DJED C[C@H](Nc1ccc(F)c(Br)c1)c1cccc(C#N)c1 165746591 PZVKKJPATDIOLY-JTQLQIEISA-N 319.177 4.633 30 20 DJED N#CC1CCN(c2cc(C(F)F)nc3ccc(Cl)cc23)CC1 288026707 CKPATDBAYKVHRC-UHFFFAOYSA-N 321.758 4.566 30 20 DJED CCCCCCCCCCCC(=O)N1CCC[C@@](C)(O)CC1 318012165 SAAFEINEMZWBAR-LJQANCHMSA-N 311.510 4.671 30 20 DJED CC(C)(C)c1nc2ccc(N=C(O)C[C@@H]3CCOC3)cc2s1 329770361 ISABVQDWAREXHB-NSHDSACASA-N 318.442 4.608 30 20 DJED C[C@H](CCc1cccc(F)c1)N[C@@H](CCC#N)c1ccccc1 358336091 CEJUPIRKXAVFDR-UZLBHIALSA-N 310.416 4.781 30 20 DJED CC(C)c1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c(O)c1 436761898 AYVHIEPZLTXSSL-UHFFFAOYSA-N 322.408 4.569 30 20 DJED CC(C)Oc1ccc2ccccc2c1CN[C@H]1CCC[C@H](C#N)C1 446758098 FUFOFIOLXTZRBC-WMZOPIPTSA-N 322.452 4.799 30 20 DJED Cc1cc(COc2cnccc2-c2ccccc2)ccc1C#N 447409438 VXHDXULCMJIZIZ-UHFFFAOYSA-N 300.361 4.508 30 20 DJED CC[C@H](NCCc1c[nH]c2cc(C)ccc12)c1ccc(C#N)cc1 447559691 AQMCINSLYSSNPP-FQEVSTJZSA-N 317.436 4.631 30 20 DJED N#CCCN(Cc1ccco1)Cc1cc(Cl)sc1Cl 449002598 LSWLMKNBDAOWAU-UHFFFAOYSA-N 315.225 4.564 30 20 DJED Cc1ccccc1[C@@H](C)c1noc([C@H](C)c2cccc(C#N)c2)n1 463062850 ZNSLBRLDMDKTFY-HUUCEWRRSA-N 317.392 4.553 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 463281386 HGLQYOBAUFWCTM-MDASCCDHSA-N 300.421 4.729 30 20 DJED C=CCCC1(C(=O)N2CCc3ccc(C(C)(C)C)cc3C2)CC1 476663117 OZSCTLGEOWIHOH-UHFFFAOYSA-N 311.469 4.615 30 20 DJED Cc1nc(SCc2ccc(C#N)cc2F)[nH]c1-c1ccccc1 488229545 JTWRTWZNEKHNSF-UHFFFAOYSA-N 323.396 4.688 30 20 DJED N#Cc1cnccc1/C=C\c1ccc(-c2cccc(F)c2F)o1 504743213 UCCDYRLONLTWHQ-PLNGDYQASA-N 308.287 4.662 30 20 DJED C=C(C)CCc1noc([C@@H]2C[C@H]2c2ccccc2C(F)(F)F)n1 508614918 MFNUYYXKSSUJJP-QWHCGFSZSA-N 322.330 4.868 30 20 DJED CCc1nc(Oc2cc(Cl)ccc2C#N)c2ccsc2n1 534603504 SOCQHPVMRJXIQP-UHFFFAOYSA-N 315.785 4.571 30 20 DJED CCN(C(=O)[C@H](C)CCCc1ccccc1)c1ccc(C#N)cc1 538416289 ZLQFWQBJNAXYAA-QGZVFWFLSA-N 320.436 4.570 30 20 DJED CC(C)N(CCC(C)(C)C#N)Cc1ccc(Br)cc1 538468520 BDPWTHDVMLNYEG-UHFFFAOYSA-N 323.278 4.599 30 20 DJED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N(C)c1cccc(C#N)c1 573389273 KDDCZIAXAFFYSX-NVXWUHKLSA-N 318.420 4.511 30 20 DJED N#Cc1ccccc1C(=O)/C=C\c1csc(-c2ccsc2)n1 588618073 DMQJTNRYSARYNK-WAYWQWQTSA-N 322.414 4.639 30 20 DJED CC(C)N(C(=O)C[C@@H](CC#N)c1ccccc1)c1cccc(F)c1 598881649 DUZDTBSDLBQBSH-QGZVFWFLSA-N 324.399 4.655 30 20 DJED C[C@@H](CCC#N)CNc1ccccc1SCC(F)(F)F 602489462 LZLVXSMTWOLDLA-NSHDSACASA-N 302.365 4.693 30 20 DJED C[C@H](CCC#N)CNc1ccc(F)cc1OCCC(F)(F)F 602659801 XJTXSYXNBQTUDZ-LLVKDONJSA-N 318.314 4.509 30 20 DJED C=CCCCCCN(C)C(=O)c1cc2cc(F)ccc2s1 606883983 VWWBWYLUSVRJRC-UHFFFAOYSA-N 305.418 4.859 30 20 DJED C=CCCCCCN(C)C(=O)N[C@@H](c1ccc(C)cc1)C1CC1 606966555 GNNCDTDDNFFELO-IBGZPJMESA-N 314.473 4.834 30 20 DJED COc1cc(CNc2ccc(C#N)cc2C(F)(F)F)ccc1C 609962576 PEPHAHKNNKDUQW-UHFFFAOYSA-N 320.314 4.506 30 20 DJED C[C@]1(C#N)CCCN(C(=O)c2ccc(C3CCCCC3)cc2)C1 612238298 YMOIELSZNDSGSH-HXUWFJFHSA-N 310.441 4.500 30 20 DJED Cc1ccnc(CSc2ccc(C#N)c(C(F)(F)F)c2)c1 616216550 BBFLFQOYWJDJRZ-UHFFFAOYSA-N 308.328 4.573 30 20 DJED CCC/C=C/C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 729345740 ROMXDNLQRWRKTH-SNAWJCMRSA-N 306.365 4.645 30 20 DJED CC[C@@H](OC(=O)c1ccccc1CC#N)c1ccc(Cl)cc1 733428292 TVAGLQSIFRJPBA-QGZVFWFLSA-N 313.784 4.714 30 20 DJED CC(=NNc1c(F)cccc1F)c1ccc(C(F)(F)F)cc1 735614843 CSFNZAASNRZULA-UHFFFAOYSA-N 314.257 4.820 30 20 DJED Cc1nc(C)c(C=NN=C(c2ccccc2)c2ccccc2)s1 736429266 TXROEXOJIZARAC-UHFFFAOYSA-N 319.433 4.631 30 20 DJED CCCCCCC[C@@H](C)CNC(=O)N(C)[C@H](C)c1ccncc1 744280673 UOXYIJREVVRIDI-IAGOWNOFSA-N 319.493 4.781 30 20 DJED Cc1ccc2c(c1)S/C(=C\c1ccc(O[C@H](C)C#N)cc1)C2=O 752892574 XEEXYKAIRLXAIJ-CCOVPTLTSA-N 321.401 4.615 30 20 DJED FC(F)(F)c1ccccc1ON=Cc1ccnc2ccccc12 754712384 NRYBXNPLKPTAMA-UHFFFAOYSA-N 316.282 4.667 30 20 DJED CC(C)COc1ccc(C(=O)/C=C\c2nc(Cl)cs2)cc1 759076954 UOQDWRVXWODLNU-FPLPWBNLSA-N 321.829 4.727 30 20 DJED CO[C@@H](C/N=C/c1cc(Cl)ccc1O)c1ccccc1Cl 763097000 MEKKLNRDDBVTEU-ARFNDINWSA-N 324.207 4.506 30 20 DJED CC(=NNc1c(Cl)cccc1Cl)c1cnn(C(C)C)c1 763178864 FTWMIKPBCGOHFR-UHFFFAOYSA-N 311.216 4.607 30 20 DJED CCn1nc(/C=C/C(=O)c2cc(C)sc2C)c2ccccc21 769742093 FMZRFUBEXLHLMT-MDZDMXLPSA-N 310.422 4.631 30 20 DJED C=CC[C@H]1N(C(=O)Nc2cnc(Cl)cc2C)CCCC1(C)C 770594023 RUWURQPLEVRCIZ-CQSZACIVSA-N 321.852 4.642 30 20 DJED Cc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1OC(F)F 777914499 IIKJINULJLKOTK-VMPITWQZSA-N 324.273 4.771 30 20 DJED C#CCCCCCC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 779927887 BOZFFQZOZKKENU-KRWDZBQOSA-N 320.436 4.510 30 20 DJED CC(=NNc1ccccc1C(F)(F)F)c1cnn(C(C)C)c1C 787144649 KNBRGGIMRQLYCE-UHFFFAOYSA-N 324.350 4.627 30 20 DJED CCCCCCCCC(=O)N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 791274110 QHXDSWMCVJXGIQ-UKRRQHHQSA-N 320.304 4.779 30 20 DJED CCOc1ccccc1C=NOCc1cccc(C(F)F)c1 794714755 QIKXMLGHHKZKKT-UHFFFAOYSA-N 305.324 4.574 30 20 DJED CC(CCc1ccc(C(F)(F)F)cc1)=NNc1ccccn1 800807406 WTVRHIHITNDEGS-UHFFFAOYSA-N 307.319 4.521 30 20 DJED C[C@@H]1/C(=C/c2ccc(Cl)nc2Cl)C(=O)c2ccccc21 809158755 DDPOPRVHHVEGKJ-LMRAXHDRSA-N 304.176 4.772 30 20 DJED Cc1c(C=NNC[C@H]2CCSC2)sc2c(Cl)cccc12 814935218 JGAIXGJECBPZQY-LLVKDONJSA-N 324.902 4.540 30 20 DJED C[C@H](C#N)Oc1ccccc1NC(=O)CCC1CCCCCC1 846958841 UYQUNLJBEULUHS-OAHLLOKOSA-N 314.429 4.667 30 20 DJED CCc1c(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)oc2ccccc12 916131505 GVHGGSRJCGFIIX-KHPPLWFESA-N 321.332 4.800 30 20 DJED CCOc1cc(/C=C\C(=O)c2cccc(C)c2)cc(Cl)c1O 916153138 BDFXLNIFASBXRS-FPLPWBNLSA-N 316.784 4.649 30 20 DJED CCOc1cc(/C=C\C(=O)c2cc(C)ccc2C)ccc1OC 916156003 WERULYZOLRSUSL-NTMALXAHSA-N 310.393 4.607 30 20 DJED CC(C)c1ccc([C@H](C)NN=Cc2cc(F)ccc2F)cc1 917553271 YWVJWJXAVWHRML-ZDUSSCGKSA-N 302.368 4.773 30 20 DJED N#CC[C@H](C(=O)N1CCCC2(CCCCC2)CC1)c1ccccc1 1128024056 OYSMVAOYFITHFG-IBGZPJMESA-N 324.468 4.647 30 20 DJED C[C@H]1CC(C)(C)CC[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N 1185620589 LZJZXNCXZOAUSK-JQWIXIFHSA-N 311.351 4.599 30 20 DJED Cc1cc(CN2CCCC[C@@H]2Cc2ccc(F)cc2)ccc1C#N 1204750011 RWJXQZZPQQXPAT-OAQYLSRUSA-N 322.427 4.603 30 20 DJED Cc1nsc(NCC2(c3cccs3)CCCCC2)c1C#N 1306974940 NFPFAZQLKRWSRP-UHFFFAOYSA-N 317.483 4.699 30 20 DJED CC(C)(C)c1ccc([C@H]2CCCN2Cc2cccc(C#N)n2)cc1 1308605942 OCKTUQCYOXFOIS-HXUWFJFHSA-N 319.452 4.588 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)N1CCCC(C)(C)[C@@H]1C#N 1436162329 XWCWMGWHQJATJW-SJORKVTESA-N 304.478 4.524 30 20 DJED CCCN(CCc1ccc(CC)cc1)Cc1ccc(C#N)cc1 1459309236 KEQBREUQLYVDCG-UHFFFAOYSA-N 306.453 4.575 30 20 DJED C[C@H]1c2ccccc2CCN1Cc1ccccc1C(C)(C)C#N 1459640068 VLTTXODSPSYFOQ-INIZCTEOSA-N 304.437 4.607 30 20 DJED C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)CC[C@@H]1c1ccccc1 1459670443 TYAWKWAYKILPDY-BEFAXECRSA-N 324.855 4.837 30 20 DJED CCc1ccccc1CCN(CC(C)C)c1ccc(C#N)cc1 1459715626 DYQXKSYHGNKWSG-UHFFFAOYSA-N 306.453 4.826 30 20 DJED Cc1c(Cl)cccc1-n1ccnc1S[C@@H]1CC[C@H](C#N)C1 1472952791 GIHSDWDYUBEPNN-QWHCGFSZSA-N 317.845 4.619 30 20 DJED CCc1c(C(=O)Nc2ccc(C#N)c(Cl)c2)oc2ccccc12 1521815208 LFSXALMBCBNAOD-UHFFFAOYSA-N 324.767 4.773 30 20 DJED Cc1c(C(=O)N(C)CCC(C)(C)C)sc2ccc(C#N)cc12 1529797777 QIOFPCMVHRYYHY-UHFFFAOYSA-N 314.454 4.590 30 20 DJED CC[C@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 1530388361 MYNRBQAPGGXNQX-STQMWFEESA-N 316.470 4.653 30 20 DJED CC[C@@H](C#N)C(=O)Nc1cccc(CSC2CCCCC2)c1 1565767028 REJGAVFFGBKRBP-HNNXBMFYSA-N 316.470 4.741 30 20 DJED COc1ccc(C#N)cc1CN1CCC[C@H]1c1cc(C)ccc1C 1642264500 ZTXWZPDWSCFYLG-FQEVSTJZSA-N 320.436 4.521 30 20 DJED N#Cc1cc(F)ccc1CN(CCc1ccccc1)C1CCCC1 1644553250 LYFDHCAZQSWZKK-UHFFFAOYSA-N 322.427 4.685 30 20 DJED CC[C@H]1c2ccsc2CCN1Cc1ccc(Cl)cc1C#N 1656976820 NOFQQAMSTSRFBX-INIZCTEOSA-N 316.857 4.783 30 20 DJED CC(C)(C#N)CCN(Cc1ccccc1C(F)(F)F)CC1CC1 1658616442 IFLCJXITEATXKZ-UHFFFAOYSA-N 324.390 4.857 30 20 DJED CCc1ccc(C(CC(C)C)=NNc2ccccc2C(=O)O)cc1 1776031285 XSYOFKXCGVFCGS-UHFFFAOYSA-N 324.424 4.810 30 20 DJED O=C(/C=C/c1cccnc1)c1ccc(Cl)c(Cl)c1Cl 7586998 AYDMVCYKGPFQEC-ZZXKWVIFSA-N 312.583 4.938 30 20 DJED Cc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)c1 66800358 NNLPZRUNMXDOLF-HNNXBMFYSA-N 324.449 4.950 30 20 DJED Cc1nc(C(C)C)sc1[C@H](C)N(C)CCCC(C)(C)C#N 121115556 OCVHGZFJBCCLRE-AWEZNQCLSA-N 307.507 4.898 30 20 DJED CCCCCCCCC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 131976841 NEVIBFPYETZZND-MOPGFXCFSA-N 317.473 4.774 30 20 DJED CCCCCCCC(=O)Nc1cccc(Oc2cccnn2)c1 174052978 KFZQJEWCHVJBMI-UHFFFAOYSA-N 313.401 4.568 30 20 DJED CC(C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)=C1CCCC1 176629574 YYXTXUWFJXHAAH-CQSZACIVSA-N 323.223 4.565 30 20 DJED Cn1cc(CNc2ccc(SC3CCCC3)cc2)cc1C#N 189585344 YGOWQFDLLPYDRT-UHFFFAOYSA-N 311.454 4.544 30 20 DJED CCCCC[C@@](C)(CC)C(=O)Nc1ccccc1O[C@H](C)C#N 189809417 ZKZJHZQNRSMEOS-DNVCBOLYSA-N 316.445 4.913 30 20 DJED C[C@H]1C[C@@H]1c1ccc(CNc2ccc(C#N)cc2C(F)(F)F)o1 320177989 ZTQAUPOMGYWBBJ-GWCFXTLKSA-N 320.314 4.906 30 20 DJED CC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 341711653 PHITWCBBZREDEA-PMACEKPBSA-N 308.400 4.816 30 20 DJED N#CCC[C@@H](N[C@H]1CCCc2ccc(F)cc21)c1ccccc1 344284215 CCOHTIMRDLGORR-UXHICEINSA-N 308.400 4.838 30 20 DJED N#Cc1ccc2c(c1)[C@H](N[C@H]1CCSc3c(F)cccc31)CC2 353259287 DVPGRISDRUDELM-MSOLQXFVSA-N 324.424 4.511 30 20 DJED CC(C)(C#N)CCCCN1CCCC[C@H]1c1nc2ccccc2[nH]1 451878136 LOWDAJLVBGRYMV-SFHVURJKSA-N 324.472 4.810 30 20 DJED Cc1c(C(=O)N(C)c2ccc(C#N)cc2)oc2ccc(Cl)cc12 461523133 YOSGNSBBDQCOFC-UHFFFAOYSA-N 324.767 4.543 30 20 DJED CC(N[C@@H]1CCC[C@@H](C#N)C1)(c1ccccc1)c1ccccc1 463245444 CHBVPGVTTYQQLH-YLJYHZDGSA-N 304.437 4.622 30 20 DJED C=CCOc1ccccc1CNCc1cccc(SCC)c1 472035564 RXOQWWCJRHSFHV-UHFFFAOYSA-N 313.466 4.653 30 20 DJED CCc1ccc([C@@H](C)NC(=O)C[C@H](CC#N)c2ccccc2)cc1 474188769 JMSOAEOFMGKUTJ-UZLBHIALSA-N 320.436 4.514 30 20 DJED C=C(C)[C@@H](N[C@H]1CCc2cc(F)ccc21)c1ccc(F)c(F)c1 480701901 UTXSPAMEGGHCPV-RBUKOAKNSA-N 317.354 4.998 30 20 DJED CCOc1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cc1 481918946 HFZJTZDPJJYAKB-OAQYLSRUSA-N 320.436 4.514 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1cc(C)nc2ccccc12 482912538 RWDHOIIFTJUVGA-UHFFFAOYSA-N 322.452 4.752 30 20 DJED N#Cc1cccnc1/C=C\c1ccc(Br)c(Cl)c1 485977865 NNVODHLZQAMURZ-XQRVVYSFSA-N 319.589 4.540 30 20 DJED CCC[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 499415564 RIMHZGAELGDIJN-KXBFYZLASA-N 312.457 4.732 30 20 DJED C=C(C)COc1cccc(NC(=O)c2coc3ccccc23)c1 499600252 XIMHZJNVZARSLH-UHFFFAOYSA-N 307.349 4.640 30 20 DJED CCc1oc2ccccc2c1CN(C)Cc1ccc(C#N)s1 506126572 UABUXXXONPQZHJ-UHFFFAOYSA-N 310.422 4.560 30 20 DJED N#Cc1ccc(CN(C2CC2)[C@H]2CCCc3ccccc32)s1 507999452 PGPBABXQOLFPGV-IBGZPJMESA-N 308.450 4.662 30 20 DJED Cc1cc(Cl)c(C(=O)Nc2ccc(Cl)c(C#N)c2)cc1C 510326239 WCNNWLSGDHPJTL-UHFFFAOYSA-N 319.191 4.734 30 20 DJED C=CCC[C@@H](NCc1cn(-c2ccccc2)nc1C)c1ccco1 552068308 QUZMPRYTCFIWEH-LJQANCHMSA-N 321.424 4.571 30 20 DJED CSc1ccccc1[C@H](C)N[C@H]1CCc2ccc(C#N)cc21 579769805 DEEDYDOXSJNLNH-UGSOOPFHSA-N 308.450 4.618 30 20 DJED Cc1ccc(CNc2nc(-c3ccc(C#N)cc3)cs2)cc1 603803128 HNFVFMCYALTCSI-UHFFFAOYSA-N 305.406 4.602 30 20 DJED Cc1sc2ncnc(S[C@@H](C#N)C3CCCCC3)c2c1C 609648502 BDFOSHKPFGXMAW-ZDUSSCGKSA-N 317.483 4.873 30 20 DJED N#C[C@@H](Sc1nc2ccccc2n1C(F)F)C1CCCCC1 609648930 FJUYGGGRRUWJHN-CQSZACIVSA-N 321.396 4.996 30 20 DJED C=C(C)[C@H](N[C@H]1CCCc2scnc21)c1ccc(F)c(F)c1 623963710 MXXRDVQGQJLJIZ-HOCLYGCPSA-N 320.408 4.706 30 20 DJED CN(C)c1ccc(/C=C\C(=O)c2ccc(Cl)s2)cc1F 727653323 JWHYOIIUPAFFCR-XQRVVYSFSA-N 309.793 4.503 30 20 DJED N#Cc1cccc(/C=C2\Cc3c(ccc(Cl)c3Cl)C2=O)c1 729151345 RLICBMJDIVVOJV-KPKJPENVSA-N 314.171 4.687 30 20 DJED COc1cccc2cc(C(=O)/C=C/c3cc(C)ccc3F)oc12 734981050 MOTYQXWOFBCWTQ-VQHVLOKHSA-N 310.324 4.785 30 20 DJED N#Cc1ccsc1C(=O)N[C@@H](c1ccccc1)C1CCCCC1 748053516 NPMWWHDJILNFOC-KRWDZBQOSA-N 324.449 4.671 30 20 DJED C[C@H](C(=O)O[C@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1 748680716 VVAXLZVEEZNQPN-QWHCGFSZSA-N 313.784 4.620 30 20 DJED C[C@@H]1CC(=NNc2ccc(Cl)nn2)C[C@@H](c2ccccc2)C1 749853666 SGUWTIHLCKJOPO-JSGCOSHPSA-N 314.820 4.502 30 20 DJED COc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1OC1CCCC1 765921936 UFYHZRSABRFQGA-CABCVRRESA-N 314.429 4.511 30 20 DJED CCCCCCCCC(=O)N1CC[C@H](COc2ccccc2)C1 780223446 NGCJIECZGVHJKI-SFHVURJKSA-N 317.473 4.665 30 20 DJED C=CCC1(C(=O)OCc2nc(-c3cccs3)oc2C)CCC1 791560810 OLCLMAFHBKUAPI-UHFFFAOYSA-N 317.410 4.501 30 20 DJED Cc1cc(C(=O)/C=C/c2ccsc2)sc1Br 794731677 COQZCKXTLVMXDT-NSCUHMNNSA-N 313.241 4.777 30 20 DJED C=CC[C@H](NC(=O)c1csc2cc(C)ccc12)c1ccncc1 795102147 BCOLOMPFTAZKES-KRWDZBQOSA-N 322.433 4.652 30 20 DJED Cc1cccc(F)c1CN[C@@H]1CCCCc2cc(C#N)ccc21 795797465 VCYLBTGGSJROMD-HXUWFJFHSA-N 308.400 4.563 30 20 DJED CCc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)cc1Cl 796501886 FMUXGLZKGWGADG-CYBMUJFWSA-N 314.816 4.805 30 20 DJED CC[C@H](C)CCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 796810671 LFRFLOMDEQODJC-ZFWWWQNUSA-N 312.438 4.813 30 20 DJED O=C(/C=C\c1ccc(C(F)F)cc1)c1ccnn1-c1ccccc1 798372188 IWOXOIYYTXHQII-FLIBITNWSA-N 324.330 4.706 30 20 DJED C[C@@H]1/C(=C\c2cn(C)nc2-c2cccs2)C(=O)c2ccccc21 809157357 SGXACTBOTLWXOK-SEJMYLSOSA-N 320.417 4.532 30 20 DJED C=CCC1(CN[C@@H]2CCC[C@@H](CCCC(=O)O)C2)CCCC1 902268664 MDIOYBDHYHZAGR-DLBZAZTESA-N 307.478 4.526 30 20 DJED CCCOc1cc(/C=C\C(=O)c2cccc(C)c2)ccc1OC 916153596 VPMJWZNHQWGCQL-NTMALXAHSA-N 310.393 4.689 30 20 DJED CC[C@](C)(NCCCCC1(C#N)CCC1)c1nc(C)cs1 930010049 QUKNTHKFMHVFKS-INIZCTEOSA-N 305.491 4.531 30 20 DJED C[C@H](CCNC(=O)Nc1ccc(C#N)cc1Cl)CC(C)(C)C 1215837952 HCXCSMRGYPKDIW-GFCCVEGCSA-N 321.852 4.796 30 20 DJED Cc1cccc2cc(C(=O)OCc3ccc(CC#N)cc3)sc12 1266639365 AGLSLOQJODSGNO-UHFFFAOYSA-N 321.401 4.633 30 20 DJED CCCCc1ccc(NC(=O)[C@@H](C#N)CCc2ccccc2)cc1 1290150541 SFEGYCNRPFURNP-LJQANCHMSA-N 320.436 4.740 30 20 DJED N#Cc1c(F)cccc1NC1CCC(c2ccc(F)cc2)CC1 1307094166 FAEYXZKCSYZGJF-UHFFFAOYSA-N 312.363 4.975 30 20 DJED C[C@@H]1CC[C@H](C(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1C 1350252240 PCRDVZLQMDMUKW-UPJWGTAASA-N 316.470 4.509 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)N1CCCC(C)(C)[C@H]1C#N 1436162326 XWCWMGWHQJATJW-DLBZAZTESA-N 304.478 4.524 30 20 DJED CCN(C(=O)c1cccc(C(C)(C)C)c1)c1ccc(C#N)cc1 1523019249 IQXYRFWJWKETFW-UHFFFAOYSA-N 306.409 4.522 30 20 DJED CCCCCCCCNC(=O)c1oc(C2CC2)nc1C(F)F 1527986296 OQXRMCCDBCDFNF-UHFFFAOYSA-N 314.376 4.580 30 20 DJED Cc1nc(C#N)cc(NCC2(C3CCCCC3)CCCCC2)n1 1642521935 NTKPHFSCDNSLHZ-UHFFFAOYSA-N 312.461 4.599 30 20 DJED Cc1c(C#N)c(SC/C=C/c2ccccc2)nc2c1CCC2 1643544990 CJGNLIHETXJQQH-RMKNXTFCSA-N 306.434 4.556 30 20 DJED Cc1cc(S[C@H](C)c2nc(-c3ccccc3)no2)ccc1C#N 1644029467 LLXFATAIHUYWSQ-CYBMUJFWSA-N 321.405 4.770 30 20 DJED N#Cc1c(F)cccc1N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 1651798444 UZGXHNMYZACMJV-MGPLVRAMSA-N 321.182 4.972 30 20 DJED CCc1ccc([C@@H]2CCN([C@H](C)c3cccc(C#N)c3)C2)cc1 1653736213 PCRQFXHLKUTYGH-IIBYNOLFSA-N 304.437 4.671 30 20 DJED CC[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(C#N)c(Cl)c1 1657862220 LGHCFZVKAVVHNA-LRDDRELGSA-N 319.836 4.644 30 20 DJED C=C(CNC(=O)N[C@H](CC)c1cc(C)ccc1C)c1ccccc1 1673395239 GVJKKBMWSKEWNO-HXUWFJFHSA-N 322.452 4.767 30 20 DJED C[C@@H](C=NNc1ccc(C(=O)O)c(F)c1)CC1CCCCC1 1776075193 TUVDZPXVPMYAKL-GFCCVEGCSA-N 306.381 4.528 30 20 DJED CN(Cc1ccc(Cl)c(Cl)c1)Cc1cc(C#N)ccc1F 11228885 NAEHAHUBJJEHOZ-UHFFFAOYSA-N 323.198 4.636 30 20 DJED C[C@@H]1C[C@@H]1c1ccc(CN(Cc2ccc(C#N)cc2F)C2CC2)o1 30152786 NCYLSLCMMKGJDC-ACJLOTCBSA-N 324.399 4.578 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1cc2ccccc2s1 60934144 SXDPEEFHGNLMEH-UHFFFAOYSA-N 313.447 4.791 30 20 DJED C=C(C)CN(CC)C(=O)c1cnc(-c2ccccc2Cl)s1 64906380 FMCIAMYLRWMBKE-UHFFFAOYSA-N 320.845 4.502 30 20 DJED CC(C)Sc1ccccc1C(=O)N[C@H](C)c1cccc(C#N)c1 75265299 MCPZXBHZHAQSCE-CQSZACIVSA-N 324.449 4.550 30 20 DJED CC[C@H](NCc1cc(C#N)ccc1F)c1ccc(Cl)s1 90117451 XSOFTCGIULJAMJ-ZDUSSCGKSA-N 308.809 4.653 30 20 DJED Cc1cc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c(C)s1 154245557 BGPWWFAZVLCYQD-UHFFFAOYSA-N 318.467 4.848 30 20 DJED N#CCCCCSCc1cc(-c2ccc(Cl)cc2)no1 161235357 NZOSQPGTPRGPTN-UHFFFAOYSA-N 306.818 4.922 30 20 DJED CCC(C#N)(CC)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 169154766 NKVYVPUKJXLVPU-UHFFFAOYSA-N 318.726 4.627 30 20 DJED C[C@H](N[C@H](C)c1ncc(-c2ccccc2)o1)c1cccc(C#N)c1 174358767 HOVSHWVAGOWLCY-LSDHHAIUSA-N 317.392 4.625 30 20 DJED CC(C)COC(=O)Nc1cccc(NCC(C)(C)CCC#N)c1 177556241 DDOAUKXARUJITH-UHFFFAOYSA-N 317.433 4.633 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2ccc(SC(F)F)cc2)s1 180442189 IZWRQJNOGGWWJV-XVNBXDOJSA-N 321.373 4.831 30 20 DJED C=C(C)[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(F)c(F)c1 186446830 CCOVTDILZGZXRV-ORAYPTAESA-N 312.363 4.804 30 20 DJED C=C[C@](C)(CC)C(=O)N1CCC(c2c(C)[nH]c3ccccc23)CC1 190834078 XMTQTLMNRGITIB-OAQYLSRUSA-N 324.468 4.785 30 20 DJED CC(C)(C)c1cnc(CN[C@@H](CCC#N)c2ccccc2)s1 279211397 WDPSDQNWILFIRP-HNNXBMFYSA-N 313.470 4.575 30 20 DJED C[C@H](SCCCC1(C#N)CCOCC1)c1ccccc1F 281066506 UYDWQQICKFMIFQ-AWEZNQCLSA-N 307.434 4.720 30 20 DJED N#Cc1ccc2nc(N3CCC(c4ccsc4)CC3)ccc2c1 302425134 KBIPPSMQLHLOIU-UHFFFAOYSA-N 319.433 4.552 30 20 DJED N#CCCCCN[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 362277531 DIFMTYHBZOFUST-HOTGVXAUSA-N 310.363 4.625 30 20 DJED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CC1CCCCCC1 426971277 AYLJJTJOTFBHKB-PMACEKPBSA-N 324.468 4.645 30 20 DJED CC[C@H](CC(=O)Nc1ccc(F)cc1C#N)c1ccc(C)cc1 433967670 MPFSAWJODMDTFV-CQSZACIVSA-N 310.372 4.528 30 20 DJED CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 437576059 FEOOYWZNWKQIBP-MLGOLLRUSA-N 319.836 4.644 30 20 DJED C=C(C)[C@@H](NCCCCC(C)(C)C#N)c1ccc(F)c(F)c1 444667517 AGJVVPDLVTXLTM-QGZVFWFLSA-N 306.400 4.892 30 20 DJED COc1cccc(OC)c1SCc1ccc(C#N)cc1Cl 473793211 SMKURRCQJOBBBW-UHFFFAOYSA-N 319.813 4.521 30 20 DJED C=CCCCC(=O)N(Cc1ccco1)c1cccc(Cl)c1 480880990 AEIIQAHVWIFZEY-UHFFFAOYSA-N 303.789 4.823 30 20 DJED C=CC[C@H](C(=O)N[C@H](C)[C@H](C)c1ccccc1)c1ccccc1 489699615 RIPQEPHVJXOUPJ-QKLQHJQFSA-N 307.437 4.655 30 20 DJED COc1ccc(C#N)cc1N[C@@H](C)c1ccc(F)c(Cl)c1 493838778 ZALLNERMZQPDQQ-JTQLQIEISA-N 304.752 4.532 30 20 DJED N#Cc1c(F)cccc1Nc1cccc(Oc2ccncc2)c1 495368767 KHVKLCYCNGCKBL-UHFFFAOYSA-N 305.312 4.628 30 20 DJED CCc1ccc([C@@H](C)CC(=O)Nc2scc(C)c2C#N)cc1 518433918 TYZWCCFEHINCCB-LBPRGKRZSA-N 312.438 4.623 30 20 DJED C=C(C)CN1CCC(N[C@H](c2cccs2)C2CCCC2)CC1 537886077 AKIZUJYSCLFTMG-IBGZPJMESA-N 318.530 4.610 30 20 DJED C=CC[C@H](C)[C@H](C)NCC1(c2ccccc2Cl)CCOCC1 537975564 UJXPTZQTLIIFJR-HOTGVXAUSA-N 321.892 4.579 30 20 DJED COc1ccccc1-c1ccc(CNc2cccc(C#N)c2)cc1 538862322 MXHPZTKSVDSBQM-UHFFFAOYSA-N 314.388 4.846 30 20 DJED C[C@H]1CC[C@@H](C(=O)Nc2sc(-c3ccccc3)cc2C#N)C1 540645976 SAUSGNWQQNQGBK-GXTWGEPZSA-N 310.422 4.661 30 20 DJED CSc1ccccc1C[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 541221013 JEELMPHKVCOTTC-CABCVRRESA-N 310.466 4.562 30 20 DJED CC(C)O[C@H](CN[C@H](CCC#N)c1ccccc1)c1ccccc1 589990835 FLWXKJCEZNFVSU-NHCUHLMSSA-N 322.452 4.787 30 20 DJED CCOc1ccc([C@@H](C)Nc2cccc(C#N)c2)cc1OCC 612876424 UJEXGTNQVPREFI-CQSZACIVSA-N 310.397 4.529 30 20 DJED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cnc2ccsc2c1 618805126 CZEXYQDUKFZZRB-YVEFUNNKSA-N 319.433 4.506 30 20 DJED C=C(CN[C@@H](C)c1ccc(SC)c(OC)c1)c1ccccc1 675782262 PLLSOJUOWPJJEU-HNNXBMFYSA-N 313.466 4.781 30 20 DJED O=C1/C(=C/C2=Cc3ccccc3OC2)CSc2c(F)cccc21 726744257 YQNSKMSJMZRCDY-NTEUORMPSA-N 324.376 4.517 30 20 DJED C#Cc1cccc(Nc2nc(-c3ccccc3OC)cs2)c1 727462770 WSBDTMNSQPGGHQ-UHFFFAOYSA-N 306.390 4.544 30 20 DJED CCC(CC)CN(CCC#N)C(=O)/C=C\c1ccc(Cl)s1 729431672 CWIWNFIOACMLOG-CLFYSBASSA-N 324.877 4.593 30 20 DJED FC(F)(F)c1cccc(NN=C2CC[C@H]3CCCC[C@H]3C2)n1 739421567 KIEUHYKYMFDPTD-NEPJUHHUSA-N 311.351 4.859 30 20 DJED CC(=NNc1ccccc1F)c1ccc(-c2ccncc2)cc1 745198694 BUYZAITXXRDIMV-UHFFFAOYSA-N 305.356 4.724 30 20 DJED CC(C)C(CCc1ccccc1)=NNc1oc(C(C)C)nc1C#N 745614043 YBHAHPVJQYLBOJ-UHFFFAOYSA-N 324.428 4.726 30 20 DJED Cc1ccc(N(CCCSCC#N)Cc2ccco2)cc1C 745983921 IRWBLAXKYCJDLL-UHFFFAOYSA-N 314.454 4.550 30 20 DJED Cc1cccc(C(=O)/C=C/c2coc(-c3ccccc3)n2)c1C 749893482 ITZZVCIRVLIFDC-VAWYXSNFSA-N 303.361 4.855 30 20 DJED C#CC[C@H](NC(=O)Nc1cccc(SCC)c1)c1ccccc1 757885960 LAKZBUSXQYNVHG-SFHVURJKSA-N 324.449 4.685 30 20 DJED N#CC1(C(=O)O[C@H]2CCc3c(Cl)cc(Cl)cc32)CCCC1 759606792 SJJQBKZWHVPJBD-AWEZNQCLSA-N 324.207 4.608 30 20 DJED CC(C)(C)c1ccc(C=NOCc2ccnc(Cl)c2)cc1 760420910 MTOURXHPHVUBJP-UHFFFAOYSA-N 302.805 4.583 30 20 DJED C=CC[C@@H](N[C@@H](C)c1cc2cccc(OC)c2o1)c1ccncc1 776159607 YCVGHNZHUJTTHB-WMLDXEAASA-N 322.408 4.804 30 20 DJED Cc1ccc2cc(C=NNc3cccc4cnccc34)ccc2n1 783517372 ZHUARSZPPULLKD-UHFFFAOYSA-N 312.376 4.537 30 20 DJED C[C@@H](OC(=O)CC(C)(C)C#N)c1ccccc1-c1ccccc1 786381971 NFNOXXAKGPFEBH-OAHLLOKOSA-N 307.393 4.898 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccc(Cl)cc2)c(Cl)c1 788361032 RXQIYTVSTLWPJF-YWEYNIOJSA-N 302.160 4.761 30 20 DJED N#CC[C@@H](CC(=O)OCc1sccc1Cl)c1ccccc1 796914144 HNTPKOGAFYBPRY-ZDUSSCGKSA-N 319.813 4.532 30 20 DJED C=CCC[C@@H](Nc1ccc(CN(C)C)c(F)c1)c1ccco1 796923652 OZVBYTRBGFDZFX-QGZVFWFLSA-N 302.393 4.600 30 20 DJED C=CCC[C@H](N[C@@H]1CCCc2cn(C(C)C)nc21)c1ccco1 796943286 XOYIMKVMMCGWSQ-DLBZAZTESA-N 313.445 4.732 30 20 DJED C[C@H]1/C(=C\c2cccc(OCCCC#N)c2)C(=O)c2ccccc21 809157627 UHFVKDSKYAOZAH-NPQOUYBPSA-N 317.388 4.753 30 20 DJED C=CCC(F)(F)C(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1 814942177 MMNQAXGAIRQOBK-SECBINFHSA-N 322.182 4.724 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCc1csc(Cl)n1 853059034 RRARTNHFECDEOG-JTQLQIEISA-N 323.874 4.803 30 20 DJED CCCCCCCCC(=O)N(C)[C@H](C)c1ccc(OC)cc1 890717038 KZUHLHUGDVIEJC-MRXNPFEDSA-N 305.462 4.965 30 20 DJED O=C(C1CCC2(CC1)CC2)N(O)Cc1cccc2ccccc12 901371602 WEHFIFAFIDGKHI-UHFFFAOYSA-N 309.409 4.528 30 20 DJED CCC(CC)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915199894 OFEGMVPRYFCEJT-LJQANCHMSA-N 306.409 4.717 30 20 DJED CCCCOc1ccc(C(=O)/C=C/c2ccsc2)cc1OC 915990109 JXCNZXUDWKSHLE-FNORWQNLSA-N 316.422 4.832 30 20 DJED FC(F)SCc1ccc(C=NNc2ccc(Cl)cc2)o1 916246986 SCSDUCSNLNDANP-UHFFFAOYSA-N 316.760 4.835 30 20 DJED Cc1ccc(N(CCC#N)C(=O)C[C@@H](C)CC(C)(C)C)cc1 920970381 ILQBFWYMCYCXSI-MRXNPFEDSA-N 300.446 4.704 30 20 DJED N#Cc1ccc(C(=O)Nc2cccc(-c3cccs3)c2)c(F)c1 1125679844 ZBZWHEXPKOGHNE-UHFFFAOYSA-N 322.364 4.678 30 20 DJED COc1ccc(C#N)cc1NCc1ccc(C(F)(F)F)c(C)c1 1178901005 KBPPJZJNYPCHCT-UHFFFAOYSA-N 320.314 4.506 30 20 DJED CC[C@@H](Nc1nc(C#N)c(Cl)s1)c1cccc(Cl)c1 1185565494 RWVNPFRTQKROID-SNVBAGLBSA-N 312.225 4.885 30 20 DJED N#Cc1nc(NCc2ccc(Cl)c(Cl)c2)sc1Cl 1187062406 BATJFMIBAUJVCC-UHFFFAOYSA-N 318.616 4.587 30 20 DJED C[C@@H](c1nccc2ccccc12)N(C)[C@H](C)c1cccc(C#N)c1 1206376232 DGGMUESACMSGOQ-CVEARBPZSA-N 315.420 4.860 30 20 DJED N#CCc1cccc(NCC2(Sc3ccccc3)CCCC2)n1 1255095205 DVJXYTYPVLMIEC-UHFFFAOYSA-N 323.465 4.665 30 20 DJED Cc1ccccc1Oc1cc(C)c(C#N)c2nc3ccccc3n12 1306915923 SBEPAGIMBIUKOH-UHFFFAOYSA-N 313.360 4.768 30 20 DJED Cc1nsc(N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)c1C#N 1307138932 CFEGVDOHTSLDMW-OCCSQVGLSA-N 317.845 4.725 30 20 DJED C[C@@H]1CCC[C@H](CCN2CCC(c3ccc(C#N)cc3)CC2)C1 1308114418 OCLVNYAXMIFSAR-QZTJIDSGSA-N 310.485 4.954 30 20 DJED N#CC1CCC(CNCc2cccc(Oc3ccccc3)c2)CC1 1308384837 YJLWQLDQDORHIC-UHFFFAOYSA-N 320.436 4.898 30 20 DJED Cc1ccc(NC(=O)CC#Cc2ccccc2)c(Cl)c1Cl 1319777011 WGGJAEDDIHWBGS-UHFFFAOYSA-N 318.203 4.682 30 20 DJED Cc1ccc2c(Cl)c(C(=O)O[C@@H]3CC[C@H](C#N)C3)sc2c1 1343332202 SSNXWZZEZSZTMM-WDEREUQCSA-N 319.813 4.712 30 20 DJED CCC(C#N)(CC)C(=O)NCc1cccc(-c2cccc(C)c2)c1 1360600255 HJHVZSLRFYUIJI-UHFFFAOYSA-N 320.436 4.608 30 20 DJED CC(C)(C)c1ccc(C#N)c(NCc2coc3ccccc23)n1 1472790605 UCMNUWCEJASDEK-UHFFFAOYSA-N 305.381 4.609 30 20 DJED CCCC[C@H](C(=O)Nc1cc(C#N)ccc1OC(F)F)C(C)C 1520477652 RMNCWHRCTAYWEF-ZDUSSCGKSA-N 324.371 4.561 30 20 DJED CC[C@@H](C(=O)OCc1ccc(CC#N)cc1)C1CCC(C)CC1 1583541614 YXINRHUWQZAVLV-XUJQIHCRSA-N 313.441 4.648 30 20 DJED CC(C)(C)OCc1ccc(Nc2nc(C#N)c(Cl)s2)cc1 1639586163 DSQKQBKIXVXFMX-UHFFFAOYSA-N 321.833 4.727 30 20 DJED N#Cc1ccc(CCN(Cc2ccsc2)c2ccccc2)cc1 1642244518 WMKYJGXLTGFXNC-UHFFFAOYSA-N 318.445 4.869 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCc2c(Cl)cccc21 1644869354 GCHQJUZUKCBNHT-UHFFFAOYSA-N 310.828 4.704 30 20 DJED CC(C)(CNc1cccc(F)c1C#N)c1cccc(Cl)c1F 1651775634 CSKIUQHIQRJNCB-UHFFFAOYSA-N 320.770 4.880 30 20 DJED N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCc1ccc(Cl)cc1 1653427818 PLIZLTKXMWHBHC-VQTJNVASSA-N 324.855 4.654 30 20 DJED C[C@H](CCC#N)CN1CCC[C@H]1c1ccc(Br)cc1 1663826202 BRAOSZYETWZLOW-CJNGLKHVSA-N 321.262 4.526 30 20 DJED CC(C)Cc1ccc(C(=O)/C=C/c2cc(C(=O)O)cs2)cc1 1776339814 BEMCTFRPJKLVPT-BQYQJAHWSA-N 314.406 4.541 30 20 DJED Cc1ccc(OCC/N=C\c2cc(Cl)cc(Cl)c2O)cc1 5289472 ZGGAQWYVVHXCKD-GRSHGNNSSA-N 324.207 4.505 30 20 DJED Cc1sc(NC(=O)c2sccc2C(C)C)c(C#N)c1C 64680315 MEEYTUYOPOLGRL-UHFFFAOYSA-N 304.440 4.674 30 20 DJED C=CCOc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 65749370 LMKDANKDNUDSRT-UHFFFAOYSA-N 322.191 4.811 30 20 DJED N#Cc1ccc(N2CCC[C@@H]2c2nc3ccccc3s2)c(F)c1 68658049 KLTGBBOKIVVWET-MRXNPFEDSA-N 323.396 4.649 30 20 DJED C[C@H](CC#N)Sc1ccccc1NCc1ccc(F)cc1 109002048 YZLQWQDFPYGWQE-CYBMUJFWSA-N 300.402 4.832 30 20 DJED C[C@H](c1ccc(Cl)c(Cl)c1)[S@](=O)CCC(C)(C)C#N 123484499 AUPQVQWAGFVPMU-DGIBIBHMSA-N 318.269 4.743 30 20 DJED C[C@@H](NCC(C)(C)CCC#N)c1cccc(OC(F)(F)F)c1 180286146 PCKXHLNYLLZJJN-GFCCVEGCSA-N 314.351 4.566 30 20 DJED C[C@H](Nc1ccc(C#N)c(Br)c1)[C@@H]1C[C@H]2CC[C@H]1C2 300295946 UASTUZOFCFTYKX-ASHKBJFXSA-N 319.246 4.557 30 20 DJED C[C@@H]1CCC[C@@H](COc2cc(Br)ccc2C#N)C1 302469860 ZIMWIRAVWZMQRD-VXGBXAGGSA-N 308.219 4.526 30 20 DJED CC(C)(C)[C@@H]1CCC[C@@H](Nc2cccc(OCC#N)c2)CC1 315884608 LJLGKRUBACAWQN-HZPDHXFCSA-N 300.446 4.996 30 20 DJED Cc1cc2cc(NC(=O)C[C@H](CC#N)c3ccccc3)ccc2[nH]1 354386546 JINGFJOGPMYWPK-INIZCTEOSA-N 317.392 4.502 30 20 DJED C=CCC1(C(=O)Nc2ccc(-c3csc(C)n3)cc2)CCC1 357830695 FGTBIAJUHIMKLF-UHFFFAOYSA-N 312.438 4.803 30 20 DJED C[C@@H](NC1CC(C#N)(c2ccccc2)C1)c1cc2ccccc2o1 392560784 MEOUETBKQZZIDH-AZOSJMHDSA-N 316.404 4.707 30 20 DJED C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1cnn(C(C)C)c1C 414302656 MZEZTMZBEKRDLU-APWZRJJASA-N 311.473 4.610 30 20 DJED C=C[C@@](C)(CC)C(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 442937496 NPORIQVVVHFKAN-KXBFYZLASA-N 303.421 4.524 30 20 DJED CCN(C(=O)CCc1ccc(C(C)C)cc1)c1ccc(C#N)cc1 461533534 AQJQZJVZPXHAPF-UHFFFAOYSA-N 320.436 4.667 30 20 DJED CCC[C@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)C1CCCCC1 462042322 XNVDUFJQUJIION-KXBFYZLASA-N 312.457 4.527 30 20 DJED N#C[C@H]1CCC[C@H](NCCCc2ccc(Cl)cc2Cl)C1 463239558 ZWBVTGRHFXBSOH-WFASDCNBSA-N 311.256 4.598 30 20 DJED C=C(C)C[C@H](C)C(=O)Nc1cc(-c2ccccc2)nn1C(C)C 466860012 VJJFFGUHKZWLOA-HNNXBMFYSA-N 311.429 4.672 30 20 DJED Cc1cccc(C2(NCc3ccc(F)c(C#N)c3)CCCC2)c1 468268195 PIBPODXBPYCSCR-UHFFFAOYSA-N 308.400 4.565 30 20 DJED CC(C)(C#N)CCCN1Cc2ccccc2[C@@H](c2ccccc2)C1 471717187 YGULVZCKPJSNHL-OAQYLSRUSA-N 318.464 4.964 30 20 DJED C=CCC[C@H](NCc1nn(CC)c2ccccc12)c1ccccc1 472036883 FGACCAJFNWMTKC-IBGZPJMESA-N 319.452 4.853 30 20 DJED CC[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccc(C)cc1 474189899 NKIRWEZPNBBQBF-IBGZPJMESA-N 320.436 4.677 30 20 DJED CC(C)(C#N)c1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 474408109 AYRYEPXPMQPZHQ-VDZJLULYSA-N 324.468 4.576 30 20 DJED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1SCCC#N 475776265 SCALIZCLVNWDDU-CABCVRRESA-N 316.470 4.847 30 20 DJED C=CCSc1ccccc1C(=O)Nc1ccc2c(c1)CCC2 485471896 VINVQDKAMWVLNS-UHFFFAOYSA-N 309.434 4.706 30 20 DJED C=CCCCC(=O)N[C@H](C)[C@H](C)c1ccccc1C(F)(F)F 499432850 DRNXZLGFHQYMTF-QWHCGFSZSA-N 313.363 4.670 30 20 DJED N#Cc1ccc(/C=C/c2ccc(-c3cccc(F)c3)s2)nc1 508606414 ZQPMGXFTGFLIHT-VOTSOKGWSA-N 306.365 4.991 30 20 DJED CC(C)N(CCSc1ccccc1)Cc1ccc(C#N)cc1 510233334 JEZQNSZLZREHER-UHFFFAOYSA-N 310.466 4.561 30 20 DJED Cc1ccc(C)c(Sc2ccc(NC(=O)[C@H](C)C#N)cc2)c1 522984477 WHSBTSZLZFIBTL-CQSZACIVSA-N 310.422 4.553 30 20 DJED Cc1cc(C)c(CC(=O)Nc2ccc(C(C)(C)C#N)cc2)c(C)c1 536897346 OCXWROUQXMFYJI-UHFFFAOYSA-N 320.436 4.594 30 20 DJED C=CCCC[C@H](C)NC(=O)c1cccc(-c2nc(C)cs2)c1 537233253 YTZBBADOBPOLLP-ZDUSSCGKSA-N 314.454 4.593 30 20 DJED C[C@H](C#N)CSc1ccccc1NCc1ccc(CC#N)cc1 541303830 LPQMFCBXUBMCPH-OAHLLOKOSA-N 321.449 4.617 30 20 DJED C=CCN(Cc1nc2ccccc2s1)Cc1ccccc1F 560064979 IMPSIIGBSDGMHS-UHFFFAOYSA-N 312.413 4.624 30 20 DJED C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1cc2ccccc2o1 567315776 BXSPKGWRORVCBS-ACJLOTCBSA-N 302.377 4.643 30 20 DJED N#C[C@@H](C(=O)c1ccc(C(F)F)cc1)c1ccc2ccccc2n1 588348271 HCURFYNSVNSELR-OAHLLOKOSA-N 322.314 4.662 30 20 DJED CC[C@H](c1ccc(Br)cc1)N1CCC[C@@H](CC#N)C1 595615768 STCPUFJIQNDHKL-XJKSGUPXSA-N 321.262 4.526 30 20 DJED Cc1ccc(C(F)(F)F)c(NC(=O)CC2(C#N)CCCCC2)c1 598869270 CCKVJLHSIAIOBP-UHFFFAOYSA-N 324.346 4.817 30 20 DJED Cc1sc(NC(=O)CCc2ccc(Cl)s2)c(C#N)c1C 603750462 PKQAEGHIIVBTPK-UHFFFAOYSA-N 324.858 4.523 30 20 DJED C[C@H](SCCOc1ccc(C#N)cc1)c1cccc(F)c1 604049927 VFLVVQDEMZZUAI-ZDUSSCGKSA-N 301.386 4.571 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1cc2cc(C)ccc2o1 609189386 KINFVJNNLKXKJY-UHFFFAOYSA-N 312.413 4.533 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)c2ccncc2)n1 609484137 UPTUVAZOULAGOZ-JTQLQIEISA-N 323.343 4.529 30 20 DJED Cc1cc(/C=C\C(=O)c2oc3ccccc3c2C)cnc1Cl 760264273 RCZKBHTZCCSVPH-FPLPWBNLSA-N 311.768 4.994 30 20 DJED CC[C@H](CC(=O)OCCCCC(C)(C)C#N)c1ccccc1 768667651 BIOVYEDSLDBGBO-MRXNPFEDSA-N 301.430 4.834 30 20 DJED N#Cc1c(Cl)nsc1Oc1ccc(-c2cscn2)cc1 771238135 LVHARJDEJRRBBV-UHFFFAOYSA-N 319.798 4.584 30 20 DJED CC(C)(C#N)c1ccccc1Cn1nc(Cl)c2ccccc21 775679659 OUZZBPCJMNLHCI-UHFFFAOYSA-N 309.800 4.539 30 20 DJED CCC(=NNc1cc(Cl)cc(Cl)c1)C1CCOCC1 790209981 CYZRDPFPRNURBX-UHFFFAOYSA-N 301.217 4.598 30 20 DJED Cc1ccccc1[C@H](C)OC(=O)C[C@@H](CC#N)c1ccccc1 795994560 XTKSBTIRTFDMGV-FUHWJXTLSA-N 307.393 4.687 30 20 DJED Cc1cccc(OC(=O)C[C@@H](CC#N)c2ccccc2)c1Cl 796904528 KRRDLEXJUJXCGY-OAHLLOKOSA-N 313.784 4.641 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)C1CCC2(CC1)CC2 1129674688 KNEMNPZAZSXVIF-UHFFFAOYSA-N 304.393 4.620 30 20 DJED N#Cc1ccc(COc2ccc(OCC3CC3)c(Cl)c2)cc1 1166227837 XGZSNFOSDTZEFW-UHFFFAOYSA-N 313.784 4.579 30 20 DJED CCOc1ccc(C#N)cc1NC[C@@H](C)CCc1ccccc1 1202715283 GYAIUBYDNIAMBX-INIZCTEOSA-N 308.425 4.638 30 20 DJED N#Cc1cccc(CN2CC=C(c3ccc(Cl)cc3)CC2)c1 1203755126 JRQNDLZDVIBMAO-UHFFFAOYSA-N 308.812 4.501 30 20 DJED COc1cc(CN2C[C@H](C(C)(C)C)c3ccccc32)ccc1C#N 1205569178 RHPFMYAULAGLEK-SFHVURJKSA-N 320.436 4.717 30 20 DJED N#Cc1ccc(F)c(CNCC2CCC(c3ccccc3)CC2)c1 1207557548 NLKZOEUZUGMINS-UHFFFAOYSA-N 322.427 4.761 30 20 DJED CC[C@H](C)CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)C)C2 1274181867 HFEQDUNAZLYXIT-QWHCGFSZSA-N 318.486 4.755 30 20 DJED CC[C@H]1CCC[C@H](Nc2nccc(Oc3cccc(C#N)c3)n2)C1 1306972450 HUBZWKOTOZBHHQ-HOCLYGCPSA-N 322.412 4.521 30 20 DJED Cc1sc(NC(=O)[C@H]2CCC[C@H]2c2ccccc2)c(C#N)c1C 1347708362 CILCKBGNIBHHQI-HOTGVXAUSA-N 324.449 4.759 30 20 DJED CCC[C@H](C(=O)Nc1ccc(C#N)cc1)c1cccc(Cl)c1 1350459392 FJSCXECPRXSKHP-KRWDZBQOSA-N 312.800 4.734 30 20 DJED CC[C@@H](CC(C)C)C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 1357262893 AZZBIULTQKLCSV-RDJZCZTQSA-N 300.446 4.540 30 20 DJED N#Cc1ccsc1NC(=O)N1CCCC2(CCCCC2)CC1 1466996398 KQPKJPFLNKUMNC-UHFFFAOYSA-N 317.458 4.588 30 20 DJED CCCC[C@@H](CC)Nc1ccc(NC(=O)OCC)c(C#N)c1 1474434497 BGFSZPKNKAVJBD-CQSZACIVSA-N 303.406 4.507 30 20 DJED N#C[C@H]1CCC[C@@H](OC(=O)c2ccccc2-c2ccccc2)C1 1525049140 REZQCQIKFSRFJF-DOTOQJQBSA-N 305.377 4.593 30 20 DJED CCC[C@@H]1C[C@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 1528841437 QVDPSHHUDOTSHI-DNVCBOLYSA-N 320.392 4.725 30 20 DJED Cc1csc(NC(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)c1C#N 1539627548 PEOYIVKQNALKDV-JKSUJKDBSA-N 324.449 4.526 30 20 DJED CC[C@@H]1Cc2ccccc2CN1c1nc(C(C)(C)C)ccc1C#N 1642542572 XPLLFMCOIPCUFQ-GOSISDBHSA-N 319.452 4.592 30 20 DJED C[C@@H]1CCCc2ccccc2[C@@H]1Nc1nc(Cl)c(C#N)s1 1642546518 YHXFTPZVMGCKIU-QMTHXVAHSA-N 317.845 4.794 30 20 DJED COc1cc(C#N)ccc1CN1CCC[C@H]1CC1CCCCC1 1653252133 UGCCKEBCPCKJGV-IBGZPJMESA-N 312.457 4.502 30 20 DJED CCCCCC(=NNc1ccc(CC(=O)O)cc1)c1ccccc1 1776083364 APPFQBFXJFYFFL-UHFFFAOYSA-N 324.424 4.710 30 20 DJED Cc1ccccc1SCc1c(C#N)c(C)nn1-c1ccccc1 59929327 QVJHIBNHYNJDSR-UHFFFAOYSA-N 319.433 4.653 30 20 DJED CCC(CC)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 76606902 HTBMKSGBPDOELX-NSHDSACASA-N 306.818 4.562 30 20 DJED N#Cc1cc(CNc2ccccc2CCC(F)(F)F)ccc1F 124776308 SACGRNDIPFRPGT-UHFFFAOYSA-N 322.305 4.804 30 20 DJED N#CCC[C@@H](Nc1ccc2ccc(F)cc2n1)c1ccccc1 164305787 OBRNJGZTEXTUCK-QGZVFWFLSA-N 305.356 4.831 30 20 DJED N#Cc1ccsc1NC(=O)C1CCC(c2ccccc2)CC1 175051108 WSXYQKMKXYWLFR-UHFFFAOYSA-N 310.422 4.532 30 20 DJED CCCC[C@H](CC)CC(=O)Nc1ccccc1O[C@@H](C)C#N 182036092 HZAVHGIISMHNTI-GJZGRUSLSA-N 302.418 4.522 30 20 DJED Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C\C(=O)c1ccccc1 213464853 LRZMLBXBWWLTSS-SEYXRHQNSA-N 320.367 4.524 30 20 DJED CSc1ccc(C(=O)/C=C\c2ccc(O[C@@H](C)C#N)cc2)cc1 255077965 TUVFOGQFJIQBSN-VDFGQWLZSA-N 323.417 4.595 30 20 DJED CCCn1nc(C)c(/C=C\C(=O)c2cc3ccccc3o2)c1C 255545016 SSPLBUAGXOLYHM-KTKRTIGZSA-N 308.381 4.552 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@@H]2/N=C(/O)[C@@H](C)c1ccccn1 328745684 AGAUOEXRYJLUHX-BBRMVZONSA-N 312.413 4.757 30 20 DJED C[C@@H]1C[C@@H](C(O)=Nc2nc3cc(Cl)ccc3s2)CCC1=O 329368017 JBGNPYRSQVGSPQ-BDAKNGLRSA-N 322.817 4.543 30 20 DJED CC[C@@H]1C[C@H](C(O)=Nc2onc(C3CCCCC3)c2C)CCO1 330126407 ISAYQYMGOJODAZ-HUUCEWRRSA-N 320.433 4.824 30 20 DJED CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1ccc(C#N)cc1Cl 426149277 NBGFTMVBQAVEBJ-WBMJQRKESA-N 319.836 4.644 30 20 DJED CC[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)C(C)(C)C 431924235 GMSKXDYCYQOQDV-SJORKVTESA-N 315.461 4.545 30 20 DJED CC[C@H](N[C@@H]1c2ccccc2CC[C@@H]1C)c1ccc(C#N)cc1 447585108 IDUNAZQYZUTPML-JHVJFLLYSA-N 304.437 4.923 30 20 DJED Cc1cccnc1[C@H]1CCC[C@@H](Nc2cccc(CC#N)c2)C1 449705880 ZKLHKEDQGXCHRK-PKOBYXMFSA-N 305.425 4.594 30 20 DJED N#CC[C@@H]1CC[C@H](N[C@@H](c2ccc(Cl)cc2)C2CCC2)C1 453294076 QMSIAUIWQNZFND-DOPJRALCSA-N 302.849 4.853 30 20 DJED N#Cc1ccc(/C=C/c2ccc(Br)cc2Cl)nc1 463040333 VTPOPOPZTOBQDS-ZZXKWVIFSA-N 319.589 4.540 30 20 DJED C=CCC(CC=C)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 467363585 CMLSNRDRBBCOEA-UHFFFAOYSA-N 324.251 4.647 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccccc1Cc1ccccc1 467731584 LXNDLDWCPIEYHH-UHFFFAOYSA-N 305.421 4.984 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N1CCC(CCC(C)C)CC1 470595138 KBHSMTZEYHMQJX-UHFFFAOYSA-N 313.445 4.547 30 20 DJED CCCN(CC#N)Cc1cnc(-c2ccc(C(C)C)cc2)s1 472443825 XPKUPRSMFVVJJD-UHFFFAOYSA-N 313.470 4.669 30 20 DJED C[C@H](Sc1cc(C#N)ccn1)c1ccc(Br)cc1 487128335 OQNHJYFDWMHAJP-JTQLQIEISA-N 319.227 4.569 30 20 DJED C=CC[C@@H](C(=O)N(Cc1cccc(F)c1)C1CC1)c1ccccc1 487708144 LOQPRDMIQYAPSF-HXUWFJFHSA-N 323.411 4.677 30 20 DJED C=CCC[C@@H](C(=O)Nc1ccc2nc(C)[nH]c2c1)c1ccccc1 489945380 AGNJCCBMRHRQFX-QGZVFWFLSA-N 319.408 4.560 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1ccccc1O[C@H](C)c1ccccc1 523983002 VPZDIHUJSBRNFU-HZPDHXFCSA-N 324.424 4.913 30 20 DJED N#C[C@@H](Sc1n[nH]c(/C=C/c2ccccc2)n1)C1CCCCC1 524535949 CEVYMMRHDCJVRB-LPQFERQCSA-N 324.453 4.540 30 20 DJED C=C[C@@H](CC(=O)Nc1cc(Cl)ccc1OC)c1ccccc1 533882442 GXEOXVLDUNKLFB-ZDUSSCGKSA-N 315.800 4.647 30 20 DJED CC[C@@H](NCc1cccc(C#N)c1F)c1ccc(Cl)s1 544450131 WISOSSCLONIGOC-GFCCVEGCSA-N 308.809 4.653 30 20 DJED CC(C)c1ccc(Cc2noc(C3(C#N)CCCCC3)n2)cc1 546327345 RAZPIQOINQGXQZ-UHFFFAOYSA-N 309.413 4.509 30 20 DJED C=CCC[C@H](NCCc1nc2c(C)cccc2o1)c1ccco1 552045316 CTZDGFCUBXYEMS-HNNXBMFYSA-N 310.397 4.569 30 20 DJED CC(C)(CCC#N)CN[C@H]1CCC[C@H]1c1ccc(Cl)cc1 558239116 ZIFWCKLHDVJKLQ-IRXDYDNUSA-N 304.865 4.896 30 20 DJED Cc1ccc([C@@H](N[C@H]2CCCc3cc(C#N)ccc32)C2CC2)cc1 565908748 KGNXFVUYHXFBGA-FCHUYYIVSA-N 316.448 4.985 30 20 DJED CCCC[C@@H](C)N(CCCC)C(=O)c1ccc(CC#N)cc1 571356695 ZZRREJPMQDNLFU-MRXNPFEDSA-N 300.446 4.574 30 20 DJED N#CCCCCCC(=O)N[C@H](CC1CCCC1)c1ccccc1 588654909 MDDUFWRYUWTWSY-LJQANCHMSA-N 312.457 4.898 30 20 DJED CO[C@H](CSCc1ccc(CC#N)cc1)c1ccc(F)cc1 600633566 AUPREFRNJIDMIA-GOSISDBHSA-N 315.413 4.513 30 20 DJED C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(C#N)cc1 610122118 CZKNQNKSLGGRTI-MRXNPFEDSA-N 318.420 4.562 30 20 DJED C=CCCCCCN(C)C(=O)c1ccc(C(F)(F)F)s1 671734217 ZSKWXBGTARTIBQ-UHFFFAOYSA-N 305.365 4.585 30 20 DJED Cc1cccc(-c2n[nH]cc2/C=C2/Cc3c(C)cccc3C2=O)c1 729149385 DLXJVWLBTHHZPP-YBEGLDIGSA-N 314.388 4.516 30 20 DJED COc1cc(/C=C/C(=O)c2cccc(C)c2C)cc(Cl)c1O 734304917 AUYQLSXPAIOGPR-BQYQJAHWSA-N 316.784 4.567 30 20 DJED CCC(=NNc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCOC1 741836870 FYEAZFXDXIWGFQ-QMMMGPOBSA-N 321.635 4.861 30 20 DJED O=C(/C=C/C=C\c1ccccc1[N+](=O)[O-])c1coc2ccccc12 747706679 YGALXGXEEDJBMX-OCMWXIPCSA-N 319.316 4.793 30 20 DJED C[C@H]1C[C@H]1c1ccc(C=NOc2ccccc2C(F)(F)F)o1 754712274 JEDVETFCMCPGBP-CMPLNLGQSA-N 309.287 4.835 30 20 DJED CCC(Cc1cccs1)=NNc1nc(C(F)(F)F)cs1 755903301 IVZBJLFRWJLARR-UHFFFAOYSA-N 319.377 4.644 30 20 DJED Clc1ccccc1[C@H]1CCCC1=NNc1nccnc1Cl 758125423 XWIHHMDRXASVKX-LLVKDONJSA-N 321.211 4.519 30 20 DJED Cc1ccc(C)c([C@@H]2CCCN2Cc2ccc(OCC#N)cc2)c1 761957207 YIWPZUCOQFBMJU-NRFANRHFSA-N 320.436 4.543 30 20 DJED C#CC[C@H](NCc1ncc(-c2ccc(C)cc2)o1)c1ccccc1 775400177 XFPAIBWWFBCBBV-IBGZPJMESA-N 316.404 4.504 30 20 DJED O=C(/C=C\c1ccc(Br)cc1)c1cccc(F)c1F 776268017 JJZDNNBLLZERFO-TWGQIWQCSA-N 323.136 4.623 30 20 DJED C#CCCCCCC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 780626340 PWWJJAIJDWREOJ-HXUWFJFHSA-N 322.452 4.805 30 20 DJED C[C@H](C#N)Oc1ccccc1N[C@H]1CC[C@@H](Cc2ccccc2)C1 783291510 PXQXNXCFZBCHIV-NEWSRXKRSA-N 320.436 4.801 30 20 DJED C=CC[C@H](C)[C@H](C)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 792178826 GILAEJCQKUMTHY-AVGNSLFASA-N 319.836 4.641 30 20 DJED C[C@]1(C=NNc2cc(C(F)(F)F)ccc2F)CCCS1 793034998 TXPCGZRTDZDMDT-GFCCVEGCSA-N 306.328 4.528 30 20 DJED C=CCCCCC[C@@H](C)N[C@@H](c1ccccc1)c1nccn1C 793524995 NMITYERAUCEPBX-MJGOQNOKSA-N 311.473 4.624 30 20 DJED O=C(/C=C/c1cc(F)ncc1F)c1ccc(-c2ccccc2)cc1 806565575 PAZIZZQUBSIQLX-ZHACJKMWSA-N 321.326 4.923 30 20 DJED N#Cc1ccc2c(c1)C(=O)/C(=C\c1csc3ccccc13)C2 811695350 DNYREOVMGLVLID-ZROIWOOFSA-N 301.370 4.595 30 20 DJED C=CCC(F)(F)C(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 815678900 RQWGNRNWRPKDKS-AWEZNQCLSA-N 307.384 4.588 30 20 DJED CC(/C=C\C(=O)c1cccc(CN(C)C)c1)=C/c1ccccc1 821022998 WYZXGILQZMOHNF-WVPYDLLPSA-N 305.421 4.591 30 20 DJED C=CCc1ccc(OCc2nc3ccccc3s2)c(OC)c1 827359530 PGIOQBADJQMUCO-UHFFFAOYSA-N 311.406 4.612 30 20 DJED C=CCn1cnnc1S[C@H](C)c1ccc(C(C)(C)C)cc1 1115926525 UVQMBNAXQQPDGC-CYBMUJFWSA-N 301.459 4.615 30 20 DJED C[C@H]1CC[C@H](OC(=O)c2ccccc2-c2ccccc2C#N)C1 1127767858 KYWPIYLKVRPCPV-HOCLYGCPSA-N 305.377 4.571 30 20 DJED N#Cc1cccc(C#N)c1Nc1ccc(Nc2ccccc2)cc1 1184617620 QTXWXHGESTZGDH-UHFFFAOYSA-N 310.360 4.917 30 20 DJED C[C@@H]1C[C@H]1c1ccc(CN(c2cccc(F)c2C#N)C2CC2)o1 1306927989 NEFJJDITEOWUPU-IUODEOHRSA-N 310.372 4.583 30 20 DJED N#Cc1cccc(C#N)c1NC1CCC(c2ccccc2)CC1 1306928790 ADGWFLHGZRSAMQ-UHFFFAOYSA-N 301.393 4.568 30 20 DJED Cc1cc(Cl)c(-c2nnc(-c3cccc(C#N)c3)o2)cc1C 1341640805 VBXMIZFAEVPNLC-UHFFFAOYSA-N 309.756 4.546 30 20 DJED C=CC[C@H](C(=O)N(CC)Cc1ccccc1F)c1ccccc1 1343067800 FTCYAQNTONJGAX-SFHVURJKSA-N 311.400 4.534 30 20 DJED CCCC[C@@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)C(C)C 1436968652 MZWOLRPRCXXESG-CRAIPNDOSA-N 300.446 4.540 30 20 DJED Cc1nc(N[C@H]2CCCc3ccc(C(C)C)cc32)ccc1C#N 1458307652 FDDRDRGEJRVQFY-IBGZPJMESA-N 305.425 4.875 30 20 DJED Cc1cc(S[C@H]2CCCc3ccccc3C2=O)ccc1C#N 1459141376 JXAXKWTUUVXLDQ-SFHVURJKSA-N 307.418 4.547 30 20 DJED C=C(Cl)CN1CCC[C@]1(C)c1ccc(C(F)(F)F)cc1 1460637004 LSHMGJINLSHFSG-CQSZACIVSA-N 303.755 4.769 30 20 DJED Cc1cc(N2CCC[C@@H](CCCc3ccccc3)C2)c(C#N)cn1 1472736069 SVRVJFGRDXFKPC-LJQANCHMSA-N 319.452 4.501 30 20 DJED Cc1cccc([C@@H](C)Sc2nc3c(c(C)c2C#N)CCC3)c1 1472952754 WJNLJDIAQVWFGX-CQSZACIVSA-N 308.450 4.912 30 20 DJED CCC(CC)(CNCc1ccc(C#N)cc1)c1ccc(F)cc1 1474219824 OVAIRGQIXWVFPE-UHFFFAOYSA-N 310.416 4.545 30 20 DJED CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(C2CCC2)cc1 1527763315 BEBQLVMESGDHPB-UHFFFAOYSA-N 321.424 4.635 30 20 DJED CC[C@H](OC(=O)c1cccc(C#N)c1C)c1ccc(C)c(F)c1 1535606858 SBTIIMRWYRMLLW-SFHVURJKSA-N 311.356 4.622 30 20 DJED CC(C)(C)c1ccc(C#N)c(Oc2ccc(Cl)cc2F)n1 1559051042 IGTBCMCTGRGHQO-UHFFFAOYSA-N 304.752 4.836 30 20 DJED N#C[C@H]1CCC[C@@H](Nc2cccc(OCCc3ccccc3)c2)C1 1560787901 FMWWDIUCFXXIAA-RBUKOAKNSA-N 320.436 4.802 30 20 DJED Cc1cc(C#N)cc(NC(=O)Nc2ccc(C3CCC3)cc2)c1 1562939887 ZFOBOSHITAMUJG-UHFFFAOYSA-N 305.381 4.778 30 20 DJED N#CC1(CCN2Cc3ccccc3C3(CCC3)C2)CCCCC1 1645588832 HEXKYNVJZDLZGK-UHFFFAOYSA-N 308.469 4.788 30 20 DJED CC(C)(CNc1ncccc1C#N)c1ccc(Cl)c(Cl)c1 1651446481 WCTGCNYPOHDXRV-UHFFFAOYSA-N 320.223 4.650 30 20 DJED C[C@@H](CCN(C)[C@@H](C)c1cccc(C#N)c1)OCc1ccccc1 1654809228 LLUYXCDUZMGUPB-ROUUACIJSA-N 322.452 4.546 30 20 DJED N#Cc1ccc(CN(Cc2ccc3c(c2)CCCC3)C2CC2)cc1 1658596200 UUKOIZWDRJDXCV-UHFFFAOYSA-N 316.448 4.602 30 20 DJED CC[C@@H](Cc1ccc(Cl)cc1)N[C@H]1CCc2cc(C#N)ccc21 1664566528 LTGWIZDBACBVEV-ICSRJNTNSA-N 324.855 4.810 30 20 DJED Cc1csc(NC(=O)N(C)c2cccc(C(C)C)c2)c1C#N 1671656215 HVIYGBXHIPWHSA-UHFFFAOYSA-N 313.426 4.720 30 20 DJED N#Cc1cc(NCc2cccc(Br)c2)ccc1Cl 35055072 VPZUHXWKOUOZFL-UHFFFAOYSA-N 321.605 4.586 30 20 DJED CCCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 58989274 XZYUZZMUERZEQR-INIZCTEOSA-N 312.800 4.734 30 20 DJED C=C[C@H](CC(=O)N1CCC[C@@H]1c1cccs1)c1ccccc1 123473767 JTPXWMLHZGJJIX-NVXWUHKLSA-N 311.450 4.772 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)c2cccc(Cl)c2F)cc1 129614552 NXNKJBZKIRHAJY-UHFFFAOYSA-N 316.763 4.533 30 20 DJED C=C[C@@H](CC(=O)N[C@H](c1ncccc1C)C(C)C)c1ccccc1 134873381 ABUAUTDAHBRTEF-PXNSSMCTSA-N 322.452 4.563 30 20 DJED Cc1cc(C)cc(-c2nnc(SCCCC(C)(C)C#N)o2)c1 177208992 PBMTZKLNHLAJSS-UHFFFAOYSA-N 315.442 4.776 30 20 DJED CCN(Cc1ncc(C(C)C)s1)[C@@H](C)c1ccc(C#N)cc1 182997195 HFKVKBHRKORHNO-AWEZNQCLSA-N 313.470 4.721 30 20 DJED C=CCCCCCSc1nnc(-c2ccncc2)n1C1CC1 195431705 GKYYSDXZMAZAGH-UHFFFAOYSA-N 314.458 4.514 30 20 DJED CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccccc1SC[C@H](C)C#N 248506143 XIFGYYUTTQNZKF-HBUWYVDXSA-N 316.470 4.559 30 20 DJED Clc1ncc(CON=Cc2cccc(Cl)c2Cl)s1 255625408 CCROFKXNIZCTAV-UHFFFAOYSA-N 321.616 4.654 30 20 DJED C[C@H]1CC/C(=C\C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 267827879 BVFJEIAMVPWIJU-IABSEIGFSA-N 314.454 4.766 30 20 DJED CC(C)(C#N)c1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)cc1 280126606 CTTIXAZQLRYGHL-QGZVFWFLSA-N 324.449 4.527 30 20 DJED N#CCC[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 301805795 VSMSPYSBVXNESJ-HNNXBMFYSA-N 315.760 4.705 30 20 DJED C=CCCC(=O)Nc1c(Cl)cc(C(F)(F)F)cc1Cl 411116478 VRAJILKLIUOENG-UHFFFAOYSA-N 312.118 4.917 30 20 DJED C[C@@H](CCC#N)N1CCC(c2ccccc2C(F)(F)F)CC1 411351284 TXHLFUBHDFWJEX-ZDUSSCGKSA-N 310.363 4.577 30 20 DJED C[C@H](N[C@H](C)CCC#N)c1ccc(-c2cccc(C#N)c2)cc1 411510435 YNHFHSUHEDOCHD-CVEARBPZSA-N 303.409 4.568 30 20 DJED CC[C@H](Nc1ncc(C#N)cc1Cl)c1ccc(Cl)s1 426901795 XFLBNCQJVGLXNX-JTQLQIEISA-N 312.225 4.885 30 20 DJED N#CCC1(CN[C@H]2CCCSc3ccc(Cl)cc32)CC1 430755178 POVDREITTNVQQN-AWEZNQCLSA-N 306.862 4.550 30 20 DJED N#Cc1ccccc1SCc1cc(F)ccc1Br 439720973 ROWDPPVOWJXCIC-UHFFFAOYSA-N 322.202 4.752 30 20 DJED CC(C)CCN(CCC#N)C(=O)Nc1cccc(C2CCC2)c1 463849859 KNYFJHWKNLIBGC-UHFFFAOYSA-N 313.445 4.748 30 20 DJED C=CCC(CC=C)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 467839900 FFDIDLKDKMYNGL-GOSISDBHSA-N 301.405 4.552 30 20 DJED C=C(C)CN1CCC(N[C@@H](CCCC)c2ccccc2)CC1 467849313 GQZHEEGCDMAXPD-FQEVSTJZSA-N 300.490 4.548 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1cc(Cl)ccc1Br 467960993 UISUOEFYUMTHPI-CYBMUJFWSA-N 316.626 4.643 30 20 DJED CC[C@H](C)[C@H](C)N(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CC1 475650339 MSMSQUWLDMYNQJ-GJZGRUSLSA-N 312.457 4.527 30 20 DJED CC(C)[C@@H](CC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 482430424 BSVXBHLBPVUYKK-OXJNMPFZSA-N 320.436 4.565 30 20 DJED N#Cc1ccccc1OC1CCC(NC2CCC3(CC2)CC3)CC1 486721251 GLTBIPFTFSEKPQ-UHFFFAOYSA-N 324.468 4.561 30 20 DJED CSc1ccccc1CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 511116058 PQHWNUSFUVRNSJ-RTBURBONSA-N 322.477 4.680 30 20 DJED C=CCCCCCN(C)Cc1ncc(-c2ccc(F)cc2)o1 523565159 MGEBMYAAPNEXGM-UHFFFAOYSA-N 302.393 4.659 30 20 DJED CSc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1F 531696296 FXBNZOHUMPPQRH-STQMWFEESA-N 314.429 4.831 30 20 DJED N#CCc1ccc(C(=O)N2CCC[C@H]2CCC2CCCCC2)cc1 533933879 YEFOSFUGIBUGGK-FQEVSTJZSA-N 324.468 4.718 30 20 DJED C=C[C@H](CC(=O)N(C)[C@@H](C)c1ccc(C)cc1)c1ccccc1 536090599 MJNOCPUEQRLQLZ-ZWKOTPCHSA-N 307.437 4.874 30 20 DJED Cc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)c(OC(C)(C)C)c1 538395450 CHUIIJOTGMNNOS-INIZCTEOSA-N 322.452 4.895 30 20 DJED COc1cc(/C=C\C(=O)c2cccc(F)c2F)ccc1SC 588386845 BOTQMZSLOBDRLC-VURMDHGXSA-N 320.360 4.591 30 20 DJED N#CC[C@H]1CCCN(C(=O)Nc2cccc(-c3ccccc3)c2)C1 596909009 PWHWOQFSVLRCLF-MRXNPFEDSA-N 319.408 4.511 30 20 DJED CCc1nc2ccc(N[C@@H](C)c3cccc(C#N)c3)cc2s1 600851354 NYMDJUMONZNORB-LBPRGKRZSA-N 307.422 4.903 30 20 DJED CSCc1ccc(N[C@H]2CCCc3cc(C#N)ccc32)cc1 611482642 VRORDZQDCJEEHZ-IBGZPJMESA-N 308.450 4.911 30 20 DJED C=CCC[C@H](NC(=O)N[C@H](C)c1ccsc1)c1ccccc1 669875390 ZBORGZSJHFMQCC-PBHICJAKSA-N 314.454 4.816 30 20 DJED CCC(CC)CN(CCC#N)C(=S)Nc1cc(C)cc(C)c1 729643055 YTDBTGPXHYETQN-UHFFFAOYSA-N 317.502 4.652 30 20 DJED Clc1cccnc1NN=C1CCSc2c(Cl)cccc21 731925692 QYUJOYVUMBINMT-UHFFFAOYSA-N 324.236 4.700 30 20 DJED Cc1ccsc1C(Cc1ccccc1)=NNc1ccccn1 735971055 VTOMULVJUADDOO-UHFFFAOYSA-N 307.422 4.510 30 20 DJED Cc1cccc(NC(=S)N[C@H](CCC#N)c2ccccc2)c1C 747711147 XZNCDJNNYTWKHW-GOSISDBHSA-N 323.465 4.635 30 20 DJED CCc1ccc(C(=O)/C=C/c2cc(Br)cs2)o1 752237709 IODGHPMWLPNIIN-SNAWJCMRSA-N 311.200 4.562 30 20 DJED CCCCCCCC(=O)N(C)[C@H]1CCCc2nc(CC)sc21 763802393 WVMOTIIFCWEHKM-HNNXBMFYSA-N 322.518 4.902 30 20 DJED Cc1cc(C(=O)OC(C)(C)C#N)sc1-c1cccc(Cl)c1 779223573 XJIJHMLIKYTTON-UHFFFAOYSA-N 319.813 4.836 30 20 DJED O=C(O)c1csc(/C=C\C(=O)c2ccc(-c3ccccc3)o2)c1 782207295 NFBKQEGEZDDNTO-SREVYHEPSA-N 324.357 4.602 30 20 DJED Cc1ccc([C@@H](NCc2ccc(C#N)cn2)C2CCCCC2)cc1 790682405 CWCQIXLJGDCSHI-NRFANRHFSA-N 319.452 4.673 30 20 DJED C[C@@]1(C=NNc2ccnc3cc(Cl)ccc23)CCCS1 792882995 CHROHQMRSIEMMN-HNNXBMFYSA-N 305.834 4.572 30 20 DJED Cc1cc(Cl)ccc1/C=C1\Cc2nc(Cl)ccc2C1=O 806579737 POYZIEZQIBTNFN-YRNVUSSQSA-N 304.176 4.519 30 20 DJED N#CCCCCCC(=O)Oc1cccc(OCc2ccccc2)c1 822180111 FHXHJKWWHNMDTO-UHFFFAOYSA-N 323.392 4.645 30 20 DJED COc1ccc(CON=Cc2ccc(C(C)C)cc2)cc1F 823508392 IABLQRXUHSDWDC-UHFFFAOYSA-N 301.361 4.508 30 20 DJED COc1ccc(Cl)cc1C(=O)/C=C\c1ccc(Cl)s1 834803519 VOBILHUUNUCFNU-HYXAFXHYSA-N 313.205 4.960 30 20 DJED CC(C)(C#N)CCCCOC(=O)c1cc(-c2ccccc2)ccn1 909532598 DXCPPXSJHZUIJD-UHFFFAOYSA-N 322.408 4.625 30 20 DJED CC(=NNc1ncc(Cl)cc1Cl)c1c(F)cccc1F 916316472 CHMPVQPMTDFZSK-UHFFFAOYSA-N 316.138 4.503 30 20 DJED Cc1cc(C=NN(Cc2ccccc2)c2ccccc2)c(C)[nH]1 917561562 SSZLNBMKZITNTR-UHFFFAOYSA-N 303.409 4.672 30 20 DJED CC[C@H](C)Oc1ccc(N=Cc2cc3ccccc3nc2O)cc1 920173239 ARPXCDSLRMNYAL-AWEZNQCLSA-N 320.392 4.868 30 20 DJED C=C(Br)CN(CC)[C@@H](C)c1cc2ccccc2o1 920207056 XOHFGBQSQOOXPB-LBPRGKRZSA-N 308.219 4.724 30 20 DJED CC(C)c1nc2ccc(N=Cc3cccc(O)c3O)cc2s1 921138355 GXQVYQPXIIOTPA-UHFFFAOYSA-N 312.394 4.582 30 20 DJED C[C@@H](Sc1cccnc1C#N)c1ccc(C(F)(F)F)cc1 1166182334 BHNDIOZZIVFDEI-SNVBAGLBSA-N 308.328 4.825 30 20 DJED C=C(Br)CN(C1CCCC1)[C@H](C)c1ccccc1 1170104084 CTTSDJNHUUCRCE-CQSZACIVSA-N 308.263 4.901 30 20 DJED CC(C)[C@@H]1N(c2nc(C(C)(C)C)ccc2C#N)CC12CCCC2 1186689751 XKKMXFKSUFSZQJ-KRWDZBQOSA-N 311.473 4.656 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@@H]1/C=C/c1ccccc1 1308122690 PVIYBGILWMOFIM-XMZCSZCVSA-N 302.421 4.545 30 20 DJED C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1ccc(C#N)cc1Cl 1310423298 JASTVGWNTFIUNZ-FZMZJTMJSA-N 319.836 4.548 30 20 DJED Cc1cc(C(=O)/C=C/c2ccc(-c3cnn(C)c3)cc2)c(C)s1 1321228079 DCFZRBILIMYCRP-RMKNXTFCSA-N 322.433 4.662 30 20 DJED Cc1cc(C)c(/C=C/c2nnc(-c3cccc(C#N)c3)o2)cc1C 1324183898 QGUSPHCOHBEPDS-BQYQJAHWSA-N 315.376 4.704 30 20 DJED C[C@@H]1CC[C@H](OC(=O)c2ccccc2Oc2ccccc2C#N)C1 1435778224 OAJWNQUTJXUWLW-ZBFHGGJFSA-N 321.376 4.696 30 20 DJED N#C[C@@H]1CCC[C@@H](OC(=O)c2cc3c(Cl)cccc3s2)C1 1436650482 YPEPSOMHPRMRAW-GHMZBOCLSA-N 319.813 4.794 30 20 DJED Cc1cc(C)cc(COc2ccc(Br)c(C#N)c2)c1 1473096029 CNVDLQHVDZVXBW-UHFFFAOYSA-N 316.198 4.517 30 20 DJED CC[C@@]1(C)CCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1476646755 UCDIMRVUPZHZFU-KRWDZBQOSA-N 319.474 4.571 30 20 DJED Cc1ccsc1CCCC(=O)Nc1ccc(Cl)cc1C#N 1532006092 WONKGKBGXCFYLE-UHFFFAOYSA-N 318.829 4.543 30 20 DJED N#Cc1ccc(CCNC2(c3cccc(Cl)c3)CCCC2)cc1 1559681171 ZHWDPMNWFKPBSL-UHFFFAOYSA-N 324.855 4.813 30 20 DJED Cc1nsc(Nc2ccc(OC3CCCC3)c(F)c2)c1C#N 1642330205 PCPDYCQCAOTZRK-UHFFFAOYSA-N 317.389 4.527 30 20 DJED CC(C)(C)[C@@H]1CN(Cc2cccc(C#N)c2F)c2ccccc21 1642917901 PMCZRQBVFNGTAB-QGZVFWFLSA-N 308.400 4.847 30 20 DJED N#Cc1ccc(C2CCN(c3nc4ccccc4s3)CC2)cc1 1655901746 AQGOZOUWXNLEMQ-UHFFFAOYSA-N 319.433 4.552 30 20 DJED C[C@@H](CCC#N)CN1CCc2ccccc2[C@@H]1Cc1ccccc1 1657392778 RRIAZGZCHPNRPK-AVRDEDQJSA-N 318.464 4.768 30 20 DJED C[C@H](Cc1coc2ccccc12)Nc1ccccc1O[C@H](C)C#N 1658577376 LWEFVTCGTQACCO-HUUCEWRRSA-N 320.392 4.767 30 20 DJED N#Cc1ccc(CN[C@@H](C2CCCCC2)C2CCC2)cc1F 1665077064 UZPMOTUCYUIYCG-IBGZPJMESA-N 300.421 4.536 30 20 DJED CCN(CCCCC#N)[C@@H](c1ccccc1)c1ccc(F)cc1 106870900 IQIGLOYKSUBODY-FQEVSTJZSA-N 310.416 4.931 30 20 DJED C[C@H](NCc1ccccc1C#N)c1cccc(Cl)c1Cl 162763336 MZNNORCCXUGVHV-NSHDSACASA-N 305.208 4.716 30 20 DJED C[C@@H]1CC(C(=O)Nc2ccccc2SCCC#N)C[C@@H](C)C1 180320496 MZHOQRKKQHXQOH-KBPBESRZSA-N 316.470 4.703 30 20 DJED O=C(/C=C\c1ccc(N2CCCCC2)cc1)c1ccccc1F 211401750 WKYMAQYKUGFIHE-RAXLEYEMSA-N 309.384 4.712 30 20 DJED CC[C@@H](N[C@H](c1ncccc1C)C(C)C)c1ccc(C#N)cc1 278908165 ZXQLROQYYAEJHX-MOPGFXCFSA-N 307.441 4.700 30 20 DJED CSc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)cc1 281620613 NSKBHCOJEDPXJI-CHWSQXEVSA-N 314.429 4.831 30 20 DJED Cc1cc(N[C@@H](C)c2cccc(C#N)c2)c(Cl)cc1[N+](=O)[O-] 301456469 CESALCURSVAWRR-NSHDSACASA-N 315.760 4.601 30 20 DJED CCC(CC)[C@@H]1C[C@@H](Nc2ccc3cc(C#N)ccc3n2)CCO1 302021164 DYMIIUAIWYGQMN-HKUYNNGSSA-N 323.440 4.502 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1C(F)F 351529469 LPXBBGAFEBKGLH-HNNXBMFYSA-N 322.399 4.800 30 20 DJED C[C@@H](CCc1ccc(F)cc1)N[C@H](CCC#N)c1ccccc1 358330638 RJYDBFFFABXPFG-OXJNMPFZSA-N 310.416 4.781 30 20 DJED N#CCc1cc(Cl)ccc1NC(=O)c1cccc2c1CCCC2 410974986 YQCIILXELBMRAI-UHFFFAOYSA-N 324.811 4.537 30 20 DJED Cc1cccc([C@@H](C)[S@@](=O)CCC2(C#N)CCCCC2)c1 417142435 FFVZISLGHBBEIW-IERDGZPVSA-N 303.471 4.669 30 20 DJED CC[C@@H](NCc1ccc(C#N)s1)c1cc(Cl)ccc1OC 421886409 RVTFQEKUZAYANU-OAHLLOKOSA-N 320.845 4.523 30 20 DJED CC(C)(C)c1ccc(C2CCN(C[C@H](C#N)CCC#N)CC2)cc1 451533526 MJXIJMNBBBVUBR-KRWDZBQOSA-N 323.484 4.607 30 20 DJED C=CCC1(C(=O)Nc2cccc(-c3ncco3)c2C)CCCC1 452268395 XSGSKENGPIDFJQ-UHFFFAOYSA-N 310.397 4.725 30 20 DJED C=C(C)COc1cccc(NC(=O)N2CC[C@H](CC(C)C)C2)c1 467709575 XKOSCTFNYXRILL-MRXNPFEDSA-N 316.445 4.541 30 20 DJED Cc1sc2ncnc(Oc3cc(Cl)ccc3C#N)c2c1C 474773860 NWJPIZBBOJQMFO-UHFFFAOYSA-N 315.785 4.626 30 20 DJED CC[C@H](C)[C@@H]1CCCCN1C(=O)C[C@H](CC#N)c1ccccc1 476079013 IYPDDOUENMKJHU-WDSOQIARSA-N 312.457 4.501 30 20 DJED CC[C@@H](C)c1ccc([C@@H](NCc2cc(C#N)n(C)c2)C(C)C)cc1 480670973 ZNUQHTGEPJQCOI-IERDGZPVSA-N 323.484 4.897 30 20 DJED C=CCCC1(C(=O)Nc2cc(-c3nc(C)co3)ccc2C)CC1 483848424 LFBGQSSYSSPRGG-UHFFFAOYSA-N 310.397 4.643 30 20 DJED C[C@@H](NC(=O)Nc1ccc(C2CCC2)cc1)c1ccc(C#N)cc1 488347672 IMVZMVACPHTUND-CQSZACIVSA-N 319.408 4.708 30 20 DJED CCC[C@H](C)CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 505539184 FRIHWPBGUPUSAP-GWCFXTLKSA-N 313.228 4.501 30 20 DJED C=CCN(Cc1ccccc1)C(=O)CCc1cc(Cl)cs1 524242110 YOXGJHBYYOQXDU-UHFFFAOYSA-N 319.857 4.549 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1ccc(Cl)cc1 552836619 MBYQBNSGIKQERV-UHFFFAOYSA-N 300.789 4.611 30 20 DJED Cc1cccc(C)c1OC[C@@H](NCCCCC#N)c1ccccc1 553063518 ZZENWGSUQSMQLA-HXUWFJFHSA-N 322.452 4.707 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)CCCc2ccc(F)cc2)cc1 577289822 OOZRSLKPUQPOEL-UHFFFAOYSA-N 324.399 4.588 30 20 DJED C=C(C)COc1cccc(NC(=O)N(C)Cc2cccc(C)c2)c1 589738834 ATAZILNKMMVQMZ-UHFFFAOYSA-N 324.424 4.614 30 20 DJED CC[C@H](C#N)c1ccc(-c2cccc(CO[C@@H]3CCOC3)c2)cc1 593954914 UDZJDWDHEPJLDP-DYESRHJHSA-N 321.420 4.676 30 20 DJED C[C@H](CC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(F)cc1 604113646 WYLVHMNPZSIFQU-CQSZACIVSA-N 324.399 4.759 30 20 DJED Cc1ccc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(CC#N)cc2)c1 604499867 SJGGMFBXCWIFJT-MRXNPFEDSA-N 321.424 4.594 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)CC1CCC(C)CC1 609651976 RSCJWFDUCUCGGB-UHFFFAOYSA-N 312.457 4.513 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(CC)cc1 615469586 JUWCVRJUBVHUOM-UHFFFAOYSA-N 312.388 4.608 30 20 DJED C=CCN(C(=O)c1ccccc1CCC(F)(F)F)C(C)(C)C 622945042 PKBULKIHCMWMQS-UHFFFAOYSA-N 313.363 4.608 30 20 DJED CC(=NNc1nc(-c2ccccc2)cs1)c1ccc(O)c(C)c1 728226046 FTPDBXDYBYRYFO-UHFFFAOYSA-N 323.421 4.660 30 20 DJED CC(=NNc1ccc(Cl)cc1Cl)c1ccc(O)c(F)c1 728428339 VFBUPRBHDIISNU-UHFFFAOYSA-N 313.159 4.674 30 20 DJED CCC1CCC(N(Cc2ccc(OCC#N)cc2)C2CC2)CC1 731211303 FELNIROPUCMHDN-UHFFFAOYSA-N 312.457 4.522 30 20 DJED CCCCCCCC(=O)N1CCS[C@H](c2ccccc2)C1 735453934 LNRAETISSLJKGG-KRWDZBQOSA-N 305.487 4.664 30 20 DJED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(Cl)s1)CC2 741848845 QDXAZUNRQMEEMT-DHZHZOJOSA-N 304.798 4.623 30 20 DJED COc1cc(/C=C\C(=O)c2ccccc2Cl)ccc1SC 746340895 WGNRJENOKDIYEA-CLFYSBASSA-N 318.825 4.967 30 20 DJED CC(C)c1cnc(CNc2ccccc2SC[C@H](C)C#N)o1 754308077 XRDSHVSNPIVSAU-CYBMUJFWSA-N 315.442 4.662 30 20 DJED CC(C)(C#N)OC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F 779227437 LZPNCNUHRJAZKO-UHFFFAOYSA-N 317.747 4.605 30 20 DJED O=C(/C=C/c1cc(Cl)cc(C(F)(F)F)c1)c1ccncc1 780174488 DGNLWWDYUJYUNH-OWOJBTEDSA-N 311.690 4.650 30 20 DJED CC(=NNc1ncccc1C)[C@H](C)c1nc2ccccc2s1 790192738 CMMYTWCXUDXFLQ-LBPRGKRZSA-N 310.426 4.591 30 20 DJED C=CCN(C(=O)c1cc(Cl)c(Cl)nc1C)c1ccccc1 808082793 KTSBTSPFGHMBOG-UHFFFAOYSA-N 321.207 4.530 30 20 DJED FC(F)(F)c1ccccc1NN=CC1=Cc2ccccc2OC1 812375701 DVRBAZPYANRGFC-UHFFFAOYSA-N 318.298 4.579 30 20 DJED COCc1ccccc1/C=C(C)/C=C\C(=O)c1ccccc1C#N 814191033 LTIMFPXYYOYKLV-PAZXJHTRSA-N 317.388 4.547 30 20 DJED CC(=NNc1c(Cl)cccc1Cl)c1cc(N)ccc1F 814872143 SWRQALWCCPFTMV-UHFFFAOYSA-N 312.175 4.551 30 20 DJED N#CC1(CCCC[S@@](=O)Cc2ccccc2C2CC2)CCC1 899288760 ZQWNTUHFMJNVNC-JOCHJYFZSA-N 315.482 4.677 30 20 DJED CCCOc1ccc(/C=C\C(=O)c2cccc(C)c2)cc1OC 916153379 PAJHRVNVOJHLJG-NTMALXAHSA-N 310.393 4.689 30 20 DJED CC[C@](C)(C#N)C(=O)NCC1(C2CCCCC2)CCCCC1 1127617651 MULWVGWKSDBLJS-GOSISDBHSA-N 304.478 4.573 30 20 DJED N#Cc1ccc(CN2CCCC[C@@H]2CCCc2ccccc2)s1 1168350695 LCHNPAHVLSMEAW-GOSISDBHSA-N 324.493 4.997 30 20 DJED C[C@@H](Cc1ccccc1Cl)N[C@H](CCC#N)c1ccccc1 1254996301 JWIOAXGZCQVTSW-HNAYVOBHSA-N 312.844 4.906 30 20 DJED C=CCC(C)(C)CNC(=O)c1nc(-c2ccccc2)oc1C1CC1 1261257467 SZMPAWYQQRFTKN-UHFFFAOYSA-N 324.424 4.551 30 20 DJED N#Cc1ccc(Oc2cccc(-c3nnc(C4CCC4)o3)c2)cc1 1324055693 GXBDXJXGTDUSCX-UHFFFAOYSA-N 317.348 4.668 30 20 DJED C=C(CNC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 1475819157 QGXMDPTXSXOLSX-UHFFFAOYSA-N 321.207 4.828 30 20 DJED CCN(C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1)[C@H](C)C#N 1530027102 VVIMGZPCGAGXOH-CQSZACIVSA-N 324.424 4.618 30 20 DJED Cc1ccc(C#N)c(Sc2nc(C3CCCCC3)cs2)n1 1612802780 MAJRXDDTOJWGOK-UHFFFAOYSA-N 315.467 4.917 30 20 DJED CSc1ccccc1CN(CC(C)C)c1ccc(C#N)cc1 1642133298 SCDABIRRPBLNBI-UHFFFAOYSA-N 310.466 4.943 30 20 DJED Cc1cccc([C@@H]2CCCN2c2nc(C)c(C#N)cc2Cl)c1 1650663849 GASLWEOCMCGCNF-KRWDZBQOSA-N 311.816 4.565 30 20 DJED CCC(CC)(CNc1nc(C)ccc1C#N)c1ccc(F)cc1 1651271631 VVPUSSYPKIDQLD-UHFFFAOYSA-N 311.404 4.571 30 20 DJED Cc1cc(C)c(/C=C\CN(C)Cc2ccc(C#N)cc2)c(C)c1 1651917113 UYADZNBRJZVBKA-WAYWQWQTSA-N 304.437 4.629 30 20 DJED N#Cc1ccccc1OCc1cccc(SC(F)(F)F)c1 1652479482 DRANXYJEPWVBKK-UHFFFAOYSA-N 309.312 4.749 30 20 DJED CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 1672794745 SKJQIBQJBWNYRE-MLGOLLRUSA-N 319.836 4.644 30 20 DJED CCCOc1ccc(/C=C/C(=O)c2cccc(F)c2)cc1OC 57435486 QIMXMVGFKUYWCO-VQHVLOKHSA-N 314.356 4.519 30 20 DJED CC(C)c1ccc(SCCC(=O)Nc2ccccc2C#N)cc1 71843255 GPAKXEJXAWLZPT-UHFFFAOYSA-N 324.449 4.803 30 20 DJED CCOc1cccc(C(=O)/C=C/c2ccc3ncccc3c2)c1 109323095 JYYOHKXTIDTSAS-PKNBQFBNSA-N 303.361 4.530 30 20 DJED CC(C)OCc1ccc(N=Cc2cc3ccccc3nc2O)cc1 255385095 WRNNPLILMBGHGG-UHFFFAOYSA-N 320.392 4.616 30 20 DJED N#CCCSc1ccccc1NC(=O)CCCc1ccccc1 264575703 VPEGQFGSIZRDAY-UHFFFAOYSA-N 324.449 4.654 30 20 DJED CCC(CC)[C@H]1C[C@@H](Nc2ccc3cc(C#N)ccc3n2)CCO1 302021171 DYMIIUAIWYGQMN-PKOBYXMFSA-N 323.440 4.502 30 20 DJED Cc1noc(C)c1[C@H](C)C/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 329159494 DUXXCJIGBISZPG-VJUNAUMWSA-N 318.461 4.958 30 20 DJED C/C(O)=N/C1(c2noc(CC3CCCCCC3)n2)CCCCC1 329581765 QDLVFBAXHKALJB-UHFFFAOYSA-N 319.449 4.718 30 20 DJED N#CCCN(Cc1ccc(C2CCCC2)cc1)Cc1cccnc1 343865136 NOKHBMONVXMQTM-UHFFFAOYSA-N 319.452 4.655 30 20 DJED Cc1ccc([C@@H](NCCCCC(C)(C)C#N)c2ccccn2)cc1 373400715 RJGWVDUTIBHRBJ-HXUWFJFHSA-N 321.468 4.789 30 20 DJED CC(C)(C#N)CC(=O)N[C@H](CC1CCCCC1)c1ccccc1 429657291 FGTZCHLYUGXLHO-GOSISDBHSA-N 312.457 4.754 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1ccc(C(C)(F)F)cc1 429927911 QLJPFTYDIUBJLV-UHFFFAOYSA-N 321.392 4.688 30 20 DJED Cc1cc([C@@H]2CCCN2CCCCC#N)ccc1Br 430238504 KNXMHVUDSMIOIU-INIZCTEOSA-N 321.262 4.588 30 20 DJED C=C(C)[C@H](NCc1ccc(C)c(OC)c1)c1ccc(F)c(F)c1 446793698 GWLCHFRQPWYJQZ-IBGZPJMESA-N 317.379 4.689 30 20 DJED CO[C@H](CNc1c(Cl)cccc1C#N)c1ccc(Cl)cc1 462894436 HNYGYHXWTFVWKD-OAHLLOKOSA-N 321.207 4.665 30 20 DJED C=CC[C@@H](CC)NC(=O)N1CCCCC[C@H]1c1ccc(C)o1 466385862 KWSHFDHZEZGBIU-CVEARBPZSA-N 304.434 4.569 30 20 DJED Cc1ccc2c(C3=CCN(CCCC(C)(C)C#N)CC3)c[nH]c2c1 472442505 BHBUODDKPQFPCQ-UHFFFAOYSA-N 321.468 4.895 30 20 DJED CC(C)CN(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CCCC1 475379927 YSGDOVQIEUCWRD-UHFFFAOYSA-N 312.457 4.529 30 20 DJED CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H]1CCCC[C@H]1C 475607241 YDPVZBMMJVSKGS-QAPCUYQASA-N 312.457 4.529 30 20 DJED C=CCC1(C(=O)N2CC[C@@](C)(CCc3ccccc3)C2)CCC1 479155161 VLFWUAJVWLRXEC-HXUWFJFHSA-N 311.469 4.604 30 20 DJED N#Cc1csc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)c1 488326196 WYZAVCKOJFPMAW-MRXNPFEDSA-N 316.470 4.585 30 20 DJED C=C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 488852883 KJZBLJQGCFSORC-RDBSUJKOSA-N 324.251 4.664 30 20 DJED C=CCSc1ccccc1NC(=O)CSc1cccs1 503997458 MFFNXWNOASLZMU-UHFFFAOYSA-N 321.492 4.757 30 20 DJED Cc1c(C#N)cccc1C(=O)N(c1ccc(F)cc1)C1CCCC1 510250717 CSGAGTZAJQWCPF-UHFFFAOYSA-N 322.383 4.595 30 20 DJED N#CC1(CCCSCCCc2ccsc2)CCOCC1 512335745 IJERXBLBXYGPEL-UHFFFAOYSA-N 309.500 4.514 30 20 DJED CCCN(Cc1ccccc1C#N)[C@@H](C)c1ccccc1OC 519906055 DXSGNLZTFILLGQ-INIZCTEOSA-N 308.425 4.540 30 20 DJED C=CC1CCN(C(=O)Nc2c(CC)ccc(Cl)c2CC)CC1 522074504 MMURBUUOUVAWPS-UHFFFAOYSA-N 320.864 4.895 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1CCC(Cc2cccc(F)c2)CC1 522832971 BGSXXBSOQFNSEG-INIZCTEOSA-N 322.427 4.713 30 20 DJED C=C[C@H](CC(=O)Nc1ccc2ncsc2c1)c1ccccc1 534643477 ZVGJRAIFMUMVLU-CYBMUJFWSA-N 308.406 4.595 30 20 DJED Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](CCC#N)c1ccccc1 537947334 QXHCWCAMPQNOFA-HNAYVOBHSA-N 323.396 4.599 30 20 DJED Cc1ccccc1[C@H](NCc1ccc(F)c(C#N)c1)C(C)(C)C 538258861 MSVSAJHOODUQCO-IBGZPJMESA-N 310.416 4.883 30 20 DJED N#Cc1ccc(/C=C\c2ccc(Cl)c(Br)c2)nc1 538418451 IPAXVHLULUQEPZ-RJRFIUFISA-N 319.589 4.540 30 20 DJED C[C@@H](SCCc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 538667908 FFEHOKMPLFOVGV-CYBMUJFWSA-N 312.394 4.503 30 20 DJED C=CCCC[C@@H](C)NC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 539388032 HUEOENLKAFGKSV-OLZOCXBDSA-N 323.506 4.546 30 20 DJED C=CCC[C@H](NC[C@H]1CCCN(c2ccccc2)C1)c1ccco1 556876378 CTIKMGPTDRJTHB-QUCCMNQESA-N 324.468 4.793 30 20 DJED C=CCC(C)(C)C(=O)Nc1ccc2nc(C(F)F)sc2c1 560607401 UMLOMSPWOIJGAZ-UHFFFAOYSA-N 310.369 4.775 30 20 DJED N#CC[C@@H]1CCCN(Cc2ccc(-c3ccc(F)cc3)s2)C1 597173636 LLXQZEXXTGUHHC-AWEZNQCLSA-N 314.429 4.680 30 20 DJED C=CCCSCC(=O)Nc1ccccc1Oc1ccccc1 610088891 MVSGYROVPOOCHR-UHFFFAOYSA-N 313.422 4.727 30 20 DJED Cc1nc(S[C@@H](C#N)Cc2ccccc2)[nH]c1-c1ccccc1 614476306 LVSJMRKMKFDBGA-QGZVFWFLSA-N 319.433 4.612 30 20 DJED Cc1ccc(NN=Cc2c3ccccc3cc3ccccc23)nn1 729935550 DLITZSZRRNNEPO-UHFFFAOYSA-N 312.376 4.537 30 20 DJED CCCC(CCc1ccccc1)=NNc1cnnc2ccccc12 740762738 FRWXYDJYLZJNDW-UHFFFAOYSA-N 318.424 4.831 30 20 DJED Fc1ccc2oc(C=NNc3cccc4cnccc34)cc2c1 741764470 KSTSDEWNWKOMQP-UHFFFAOYSA-N 305.312 4.566 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1C#N 741848029 KVVMHQINEIZOJA-ONNFQVAWSA-N 305.377 4.586 30 20 DJED O=C(/C=C\c1ccc(Cl)s1)c1c[nH]c2cc(F)ccc12 749452602 LIWSWPGMYOIXSU-DJWKRKHSSA-N 305.761 4.918 30 20 DJED C[C@@H](NN=Cc1cnc(-c2cccs2)s1)c1ccccc1 751527131 VRJBCYVOJFLKQR-GFCCVEGCSA-N 313.451 4.556 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2cnc(Cl)cc2C)CCCC1(C)C 770594021 RUWURQPLEVRCIZ-AWEZNQCLSA-N 321.852 4.642 30 20 DJED CCCCCC[C@H](C)CC(=O)[C@H](C#N)c1cnc2ccccc2n1 792107476 GMWHEIAISPAWHC-JKSUJKDBSA-N 323.440 4.803 30 20 DJED C=CCCCCC[C@@H](C)Nc1ccc(N2CCC(O)CC2)cc1 793548217 UJCUKZVJJSNOOP-QGZVFWFLSA-N 316.489 4.585 30 20 DJED CC(C)n1nccc1/C=C/C(=O)c1ccc2c3c(cccc13)CC2 794940312 XHQRYLCSYMAGLV-PKNBQFBNSA-N 316.404 4.612 30 20 DJED CCC(CC)(CC)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797572854 JPXUYAYSLHBHHV-LBPRGKRZSA-N 306.475 4.833 30 20 DJED Cc1ccc(-c2n[nH]cc2/C=C/C(=O)c2ccc(F)cc2F)cc1 810227272 BCFXUCHFFKXXTH-RMKNXTFCSA-N 324.330 4.559 30 20 DJED CCC(=NNc1nc(-c2ccccc2)cs1)c1cccc(N)c1 814769624 SIEJLNZMGGUPJY-UHFFFAOYSA-N 322.437 4.619 30 20 DJED CCOc1ccc(NN=C(C)c2sc(C(C)C)nc2C)cc1 814985431 GKUKOGNGVLGZKF-UHFFFAOYSA-N 317.458 4.810 30 20 DJED CCCCCCCC(=O)N1CCc2cc(OC)c(Cl)cc2C1 819198474 SYFLQPFSAFAMJA-UHFFFAOYSA-N 323.864 4.594 30 20 DJED CCCCCCCC(=O)N(Cc1ccco1)CC(F)(F)F 885938960 FNWJFQMFULHVKC-UHFFFAOYSA-N 305.340 4.531 30 20 DJED C=CCC1(c2nc(-c3ccc(N4CCCCC4)cc3)no2)CCC1 904614362 IVUNVQYJNWBTFH-UHFFFAOYSA-N 323.440 4.725 30 20 DJED C=CC(C)(C)Cc1nc(-c2ccsc2C(F)(F)F)no1 904919206 ROLCTWUDRXHBGM-UHFFFAOYSA-N 302.321 4.572 30 20 DJED CCC/C(C)=C\C(=O)Nc1sc(-c2ccccc2)cc1C#N 920223015 YEYWFRBBVSZVBH-RAXLEYEMSA-N 310.422 4.972 30 20 DJED Cc1ccc(C#N)c(NCc2ccccc2Oc2ccccc2)n1 1306945649 FOHOVFILIUROQY-UHFFFAOYSA-N 315.376 4.666 30 20 DJED CCC[C@@H](Nc1nccc(Oc2cccc(C#N)c2)n1)C1CCC1 1307138534 KVISWVBKZJZRBX-QGZVFWFLSA-N 322.412 4.521 30 20 DJED Cc1ccc2sc(SCc3cccc(C#N)c3F)nc2c1 1307398454 USCARJWIJQMOMP-UHFFFAOYSA-N 314.410 4.908 30 20 DJED CC(C)(C)[C@@H]1CN(Cc2ccc(OCC#N)cc2)c2ccccc21 1307730041 SKUYUXZUWJHAFA-LJQANCHMSA-N 320.436 4.739 30 20 DJED Cc1cc(CNc2ccc(F)cc2OC2CCCC2)ccc1C#N 1308336989 IZONCMJJJCMZDU-UHFFFAOYSA-N 324.399 4.939 30 20 DJED C[C@@H](CC1CCCCC1)C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 1344837174 PYLSEQBQLZHHOK-SWLSCSKDSA-N 316.470 4.803 30 20 DJED CC[C@H](CC1CCCC1)C(=O)Nc1sc2c(c1C#N)CCC2 1348101184 GLHUTBXXKUKFRJ-CYBMUJFWSA-N 316.470 4.653 30 20 DJED N#Cc1cc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)ccc1Cl 1351843374 NOOUMPZSYSXLGN-APHBMKBZSA-N 316.832 4.757 30 20 DJED Cc1ccc(SCc2cc(C#N)ccc2Br)s1 1459134463 CLVNQYOWZSBPDH-UHFFFAOYSA-N 324.268 4.983 30 20 DJED N#CCc1ccc(CN(Cc2cccc(F)c2)C2CCCC2)cc1 1459743571 XUZFZLSZYGMIRW-UHFFFAOYSA-N 322.427 4.837 30 20 DJED Cc1c([C@@H](C)NCCc2ccc(C#N)cc2)oc2ccccc12 1473381703 WCAIJUSVASTLSJ-OAHLLOKOSA-N 304.393 4.506 30 20 DJED N#Cc1cc(NC(=O)Nc2ccc(C3CCC3)cc2)ccc1F 1476096982 JUINVLXMXXVIAR-UHFFFAOYSA-N 309.344 4.609 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)CCc1ccc(F)cc1Cl 1560897526 DPGFXHUJNLRDTN-CYBMUJFWSA-N 316.807 4.586 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2coc3c(C)cccc23)cc1 1584080789 NAARUNXYUVYJRX-UHFFFAOYSA-N 318.376 4.610 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2oc3c(C)ccc(C)c3c2C)c1 1597274607 DBHRGJSMMRHYCN-UHFFFAOYSA-N 318.376 4.790 30 20 DJED CCC[C@H]1CCCC[C@H]1CNc1c(C#N)nnc2ccccc12 1612487896 MCBCWBUANMDLQY-GJZGRUSLSA-N 308.429 4.520 30 20 DJED CCc1cccc(CC)c1-n1ccnc1S[C@H](C)CCC#N 1613523353 BNTNYARQDLRUGN-CQSZACIVSA-N 313.470 4.781 30 20 DJED CCCC[C@H](CC)CCCN(C)C(=O)c1ccc(F)c(C#N)c1 1618244615 XBFFXEHJEKKAPI-HNNXBMFYSA-N 318.436 4.766 30 20 DJED Cc1cc(C#N)cc(N[C@@H]2CCC[C@H](c3ncccc3C)C2)c1 1659444013 IIAYMMVNJVYYHU-ZWKOTPCHSA-N 305.425 4.708 30 20 DJED CC(C)Cc1ccc(/C=C/C(=O)c2ccc(C(=O)O)s2)cc1 1776340375 DURBSFDBAHIFQB-BQYQJAHWSA-N 314.406 4.541 30 20 DJED Cc1ccc(C(=O)/C=C\c2cc(C(=O)O)c(Cl)s2)cc1C 1777433753 DVOWPOJWIIIFFV-WAYWQWQTSA-N 320.797 4.613 30 20 DJED O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1cccnc1 33472171 CAQVWVVIOULTDW-RAXLEYEMSA-N 315.372 4.557 30 20 DJED C[C@@H](NCc1cccc(C#N)c1)c1cc2cc(Cl)ccc2o1 76760710 UCYKUGMPHPJTDS-GFCCVEGCSA-N 310.784 4.809 30 20 DJED N#CCCCSc1nc(-c2cccs2)nc2ccccc12 119943317 IWRUKQGODXZXIQ-UHFFFAOYSA-N 311.435 4.754 30 20 DJED C=CCCSCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 151969547 CUJLMPRJWWKUJI-UHFFFAOYSA-N 323.767 4.607 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1F)c1cc(Cl)ccc1Cl 177861295 ZMUNBTJERHDVMR-SNVBAGLBSA-N 323.198 4.855 30 20 DJED C[C@H](NCCCCC#N)c1ccccc1OCc1ccccc1 178642749 FSYALFLRTHAMQY-KRWDZBQOSA-N 308.425 4.610 30 20 DJED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1cccc(F)c1F 183311914 ARNHYKMKVLJDQG-GUYCJALGSA-N 300.352 4.660 30 20 DJED CCCC[C@H](CC)CNc1ccc(C#N)c(Br)c1 233041405 NVERYOIESXHHSC-LBPRGKRZSA-N 309.251 4.949 30 20 DJED CCOc1ccccc1[C@@H](CC)Nc1snc(Cl)c1C#N 301964050 SUULSBYBCHRVCD-GFCCVEGCSA-N 321.833 4.630 30 20 DJED C=CCOc1ccc(CN[C@@H](C)c2ccc(OCC)cc2)cc1 378879897 CXIGHMQGVDPFRN-INIZCTEOSA-N 311.425 4.501 30 20 DJED CC[C@H](F)CN[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 440493428 WQSZZSWLNPOFKU-QWRGUYRKSA-N 317.248 4.647 30 20 DJED N#C[C@@H]1CC[C@H](N[C@H](c2ccccc2)c2cccc(Cl)c2)C1 442777740 AAZFYUTWJSHOTL-MDASCCDHSA-N 310.828 4.711 30 20 DJED C=C[C@H](C)NC(=O)c1sc2cc(Cl)ccc2c1Cl 465117382 BVPVZRMAJAKFGG-ZETCQYMHSA-N 300.210 4.512 30 20 DJED C=C(C)CN(C)C(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 477537624 ZYVGEHAMPJVCLH-INIZCTEOSA-N 324.424 4.866 30 20 DJED C=CCSc1ccccc1C(=O)Nc1ncc(CCC)s1 485485150 AFGGEAKNAWBYKQ-UHFFFAOYSA-N 318.467 4.626 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1cc(C(F)F)ccc1Cl 497212150 BRJCPYVBMWLXEW-NSHDSACASA-N 314.763 4.850 30 20 DJED C=CCOc1cccc(CNC2(c3ccccc3)CCCC2)c1 506314623 LXXXYJAFJLOXLV-UHFFFAOYSA-N 307.437 4.811 30 20 DJED CC(C)Oc1ccc(CNc2ccc(Cl)cc2C#N)cc1 511360689 OTBSKUGACPHBGH-UHFFFAOYSA-N 300.789 4.611 30 20 DJED Cc1cc(CCCC(=O)Nc2scc(C)c2C#N)c(C)s1 516810405 DBEAEOQTFNGNSB-UHFFFAOYSA-N 318.467 4.568 30 20 DJED C=CCCCCCN(C)c1nc(C(F)F)nc2ccccc12 523534242 WCCXULMOUIBZPP-UHFFFAOYSA-N 305.372 4.750 30 20 DJED Cc1ccc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cc1C 553293908 OTRWVAJDCFSAIG-KKSFZXQISA-N 304.437 4.903 30 20 DJED CCC1(c2noc(C[C@@H](CC#N)c3ccccc3)n2)CCCC1 570792143 VNIRUYHASIFHON-MRXNPFEDSA-N 309.413 4.531 30 20 DJED C[C@@H](NCc1ccc(C#N)c(Cl)c1)[C@@H]1C[C@H]1c1cccs1 591348204 JQQTVROKQSPQRE-BYCMXARLSA-N 316.857 4.555 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 605200771 OYFOMNIZIVECBD-GFCCVEGCSA-N 315.417 4.503 30 20 DJED CC(C)(C#N)c1ccccc1CN1CC[C@H]1c1cccc(F)c1 610859357 YZCLNCJVDXLFGA-IBGZPJMESA-N 308.400 4.574 30 20 DJED CC[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(Cl)c1 618807793 XABXWJNJCQVYNP-MOPGFXCFSA-N 310.828 4.940 30 20 DJED C=CCOc1ccccc1CNCc1c(Cl)cccc1Cl 621358937 AKRZBYHYZDPNPJ-UHFFFAOYSA-N 322.235 4.848 30 20 DJED c1ccc([C@@H]2CCCCC2=NNc2ncnc3sccc23)cc1 725818780 AOZRNSRZKNLHNH-AWEZNQCLSA-N 322.437 4.817 30 20 DJED CCOc1ccc(C(C)=NNc2ccc(OC(F)F)cc2)cc1 726427290 UNONGNIRXMGIEX-UHFFFAOYSA-N 320.339 4.523 30 20 DJED C[C@H](NC(=O)C1(C#N)CCCCC1)c1csc2ccccc12 729960008 IDUJEGHRASRMMR-ZDUSSCGKSA-N 312.438 4.553 30 20 DJED CC(/C=C/C(=O)c1c(Cl)nc2ccccn12)=C\c1ccccc1 737446054 MQYOHLOZDGKKGE-IWCZYTNJSA-N 322.795 4.830 30 20 DJED CCCCCCC[C@H](C)CNC(=O)N(C)[C@@H](C)c1ccncc1 744280774 UOXYIJREVVRIDI-IRXDYDNUSA-N 319.493 4.781 30 20 DJED CCCc1ccc(C(C)=NNc2oc(CC(C)C)nc2C#N)cc1 745613910 QSIAQEUAWNJPQT-UHFFFAOYSA-N 324.428 4.533 30 20 DJED N#C[C@H]1CCC[C@@H](Nc2ccc(OC3CCCC3)c(F)c2)C1 765919356 BEMSSAGZWPZRRO-UONOGXRCSA-N 302.393 4.641 30 20 DJED COc1cccc(CC(=NOC2CCCC2)c2ccccc2)c1 774603470 USRKWEDBILCPTD-UHFFFAOYSA-N 309.409 4.601 30 20 DJED COc1ccc(N[C@H]2CCCc3cc(C#N)ccc32)cc1Cl 776797262 NFWLWPTZDYJFAS-KRWDZBQOSA-N 312.800 4.710 30 20 DJED C[C@@H]1CCCC[C@H]1CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797570562 HQNNWAPWYSHUNB-RDBSUJKOSA-N 318.486 4.833 30 20 DJED Cc1cc(C(=O)/C=C\c2ccc(-c3ccccc3Cl)o2)no1 798231781 XXYXBEGYSNHTON-VURMDHGXSA-N 313.740 4.793 30 20 DJED COc1cc(/C=C/C(=O)c2cc3ccc(C)cc3o2)ccc1C#N 799499439 WDQSDDOZLMYLCE-VMPITWQZSA-N 317.344 4.518 30 20 DJED CC[C@](C)(C#N)C(=O)O[C@@H](C)c1sc2ccccc2c1C 802767907 ZZULULXLASLKIH-YVEFUNNKSA-N 301.411 4.754 30 20 DJED N#Cc1sc(Nc2cccc(CC(F)(F)F)c2)nc1Cl 804520034 BETYTSIWMYAPJX-UHFFFAOYSA-N 317.723 4.517 30 20 DJED CC(=NOCCC(F)(F)F)c1nc(-c2ccccc2)cs1 814910570 XDAGBTFSSDAWAW-UHFFFAOYSA-N 314.332 4.503 30 20 DJED N#C[C@@H](C(=O)CC(C1CCC1)C1CCC1)c1nc2ccccc2o1 860484415 ZBCVJQDWUHZOKG-INIZCTEOSA-N 322.408 4.611 30 20 DJED CC(C)(C)c1ccc(/C=C\C(=O)c2ccc(CC(=O)O)cc2)cc1 915106982 ZAZFWEFLACWQGB-JYRVWZFOSA-N 322.404 4.507 30 20 DJED C=CCN(C(=O)NCc1cccc(Oc2ccccc2)c1)C(C)C 918073990 UCYVXTNFGXXXLI-UHFFFAOYSA-N 324.424 4.585 30 20 DJED C=C1CN(C(=O)Nc2ccc(O[C@@H](C)c3ccccc3)cc2C)C1 930181779 KDFAZQQTUMIMAL-INIZCTEOSA-N 322.408 4.539 30 20 DJED CCCCCCCCC(=O)NC1CCC2(CCOCC2)CC1 1116222148 WMIRCLXVPFQFRU-UHFFFAOYSA-N 309.494 4.593 30 20 DJED CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNc1nc(C#N)c(Cl)s1 1306949762 UANRVKULPDZXAM-GRYCIOLGSA-N 311.882 4.788 30 20 DJED Cc1ccc(C[C@H]2CCCN(Cc3ccc(C#N)cc3C)C2)cc1 1307441338 DAIZQAVVGPEQHC-OAQYLSRUSA-N 318.464 4.630 30 20 DJED C=CCC[C@H](Nc1ccc(N2CCCC2=O)c(C)c1)c1ccco1 1327892996 UOEHJPXGPDBVIY-KRWDZBQOSA-N 324.424 4.834 30 20 DJED CC(C)(CC#N)CSc1nn(-c2ccccc2)c(=S)s1 1329489052 KUWORRDMXVBECY-UHFFFAOYSA-N 321.496 4.695 30 20 DJED N#Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)c(Cl)c1 1457794030 KFKPWFGYIVHYMN-RRFJBIMHSA-N 316.832 4.757 30 20 DJED N#CC1(CCN2CCCc3cc(Cl)ccc32)CCCCC1 1460008638 UGNQBHHTBHJUBA-UHFFFAOYSA-N 302.849 4.957 30 20 DJED CCCC[C@@H](C)N(CCCC)C(=O)Nc1cc(F)cc(C#N)c1 1476982448 CJGCZCHURXFMCS-CQSZACIVSA-N 319.424 4.910 30 20 DJED CC(C)C(C)(C)C(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@H]2C 1523479714 YOSVDSCMACYXRL-VXGBXAGGSA-N 318.486 4.926 30 20 DJED CCCC[C@H](CC)CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1598327370 LKQOIKRCTKGQNI-HOTGVXAUSA-N 300.446 4.684 30 20 DJED C[C@@H](Nc1ncc(C#N)cc1F)c1ccc(F)c2ccccc12 1612446340 RFJKNOGGLLZNJZ-LLVKDONJSA-N 309.319 4.558 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(SCCC2CCCC2)n1 1640813909 NGNVDDXQFKTKSF-UHFFFAOYSA-N 314.376 4.953 30 20 DJED N#Cc1c(F)cccc1N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 1650706098 HBMOQFNTFYOHSX-MEDUHNTESA-N 320.289 4.684 30 20 DJED Cc1ccc(CCNc2nc(C(C)(C)C)ccc2C#N)c(C)c1 1651434168 OQOKXKWGJMBSDN-UHFFFAOYSA-N 307.441 4.522 30 20 DJED N#Cc1c(F)cccc1SCc1nsc2ccccc12 1652860847 DHBIFLMUGLAEAN-UHFFFAOYSA-N 300.383 4.599 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@@H]1c1c(C)cccc1C 1654201974 QKRSOWJQNTYZPU-HXUWFJFHSA-N 304.437 4.821 30 20 DJED CCCOc1cccc(CSc2cccc(F)c2C#N)c1 1656593303 ZHIGRICJSJIMMY-UHFFFAOYSA-N 301.386 4.778 30 20 DJED CCCOc1ccc(CNc2cc(C#N)ccc2OCC)cc1C 1657496218 HOYJPVCRAKMLIM-UHFFFAOYSA-N 324.424 4.666 30 20 DJED C[C@H](CCC#N)CN1Cc2ccccc2[C@H](c2ccccc2)C1 1658301801 VRKVOOILFUNKNO-UTKZUKDTSA-N 304.437 4.574 30 20 DJED Cc1csc(NC(=O)N2CCCC[C@@H]2CCC(C)C)c1C#N 1661563787 IYEHFDSLZUDYQN-CQSZACIVSA-N 319.474 4.751 30 20 DJED CC[C@@H](C)Oc1cccc(NC(=O)Nc2cccc(C#N)c2C)c1 1669297560 SKDGUTXYOGRTLL-CYBMUJFWSA-N 323.396 4.688 30 20 DJED CCOc1ccc(C#N)cc1N[C@H](C)c1cccc(Cl)c1 63641578 UKACPCAASICQCB-GFCCVEGCSA-N 300.789 4.783 30 20 DJED COc1cc(/C=C/C(=O)c2ccc(C)s2)ccc1OC(F)F 71794994 JAFOHDUVFOMPMJ-GQCTYLIASA-N 324.348 4.563 30 20 DJED Cc1ccc(NC(=O)Nc2cccc(OCCCC#N)c2)cc1C 113520269 ABHRTXVWDGYESR-UHFFFAOYSA-N 323.396 4.630 30 20 DJED C[C@H](NC1c2ccccc2-c2ccccc21)c1ccc(C#N)cc1 121845872 JHEVYOSMGRFVDE-HNNXBMFYSA-N 310.400 4.979 30 20 DJED CCCOc1cccc(CN[C@@H](CCC#N)c2ccccc2)c1 130609606 LPLRCAXBESPUFP-FQEVSTJZSA-N 308.425 4.610 30 20 DJED Cc1nc(-c2ccccc2F)sc1[C@H](C)NCCCCC#N 178641876 OHGBVTVTSXLAIU-LBPRGKRZSA-N 317.433 4.602 30 20 DJED C[C@@H](NC1(c2ccc(F)cc2F)CCC1)c1ccc(C#N)cc1 179752629 LNIWPWUFHAAURG-CYBMUJFWSA-N 312.363 4.566 30 20 DJED Cc1cccc(C(=O)/C=C\c2csc(Br)c2)c1 209133516 UBSXOCBUKZPYCI-WAYWQWQTSA-N 307.212 4.715 30 20 DJED CCOc1cccc(C(=O)/C=C\c2ccc3ncccc3c2)c1 211138591 JYYOHKXTIDTSAS-LUAWRHEFSA-N 303.361 4.530 30 20 DJED C=CCCCCN[C@H](C)c1sc(-c2cccnc2)nc1C 274615914 VDHGEBQORREHHR-CYBMUJFWSA-N 301.459 4.520 30 20 DJED CCCCCC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 298609777 JTIVAUJRDALJRA-UHFFFAOYSA-N 323.396 4.573 30 20 DJED CCCc1cccc(C(C)C)c1NC(=O)NCC1(C#N)CCC1 417031927 HCLNMDPPEKLXHI-UHFFFAOYSA-N 313.445 4.578 30 20 DJED Fc1cc(F)c(F)c(Oc2nc(C(F)(F)F)cs2)c1F 432127340 FJGNMGQQDYMOHT-UHFFFAOYSA-N 317.185 4.511 30 20 DJED CCCC(=O)Nc1cccc(NCc2ccc(C#N)c(C)c2)c1C 443981879 UGIUJSVISSOARB-UHFFFAOYSA-N 321.424 4.526 30 20 DJED CC(C)CCN(C(=O)Nc1ccc(CC#N)cc1)C1CCCC1 444496070 HPZURMCCKZPLSJ-UHFFFAOYSA-N 313.445 4.575 30 20 DJED CCOc1ccc(C(F)(F)F)cc1N[C@H]1CCC[C@H](C#N)C1 463298155 BCJKZYGEKYFQRO-AAEUAGOBSA-N 312.335 4.598 30 20 DJED CC#CCCCC(=O)N1CCC[C@@H]1c1cccc2ccccc12 464644134 RDMTWRYPAYJCGP-HXUWFJFHSA-N 305.421 4.697 30 20 DJED C=CCCCCCN(C)C(=O)NC[C@@H](C)Sc1ccccc1 466304855 BYNCOVYGWXJRMS-MRXNPFEDSA-N 320.502 4.555 30 20 DJED C=CCCCC(=O)N(C)[C@H](c1ccc(Cl)cc1)C(F)(F)F 469077762 QMFSMOGKWSAYAS-CQSZACIVSA-N 319.754 4.758 30 20 DJED Cc1cc2occ(C(=O)Nc3sc(C)c(C)c3C#N)c2cc1C 471352809 BJZFHTDLGRHYCG-UHFFFAOYSA-N 324.405 4.852 30 20 DJED CC(C)Sc1ccccc1NCc1cc(C#N)ccc1F 471667825 MPMNXGZEZFCNSY-UHFFFAOYSA-N 300.402 4.810 30 20 DJED N#Cc1cc(F)ccc1CSc1ccc(Br)cc1 483211461 UKYDCQQKIKPJBT-UHFFFAOYSA-N 322.202 4.752 30 20 DJED C=C(C)CN(C)C(=O)N[C@H](CCc1ccccc1)c1ccccc1 497400395 JOIVVNPNKVEOLX-HXUWFJFHSA-N 322.452 4.578 30 20 DJED CCN(Cc1ccc(F)cc1Cl)[C@@H](C)c1ccc(C#N)cc1 497620836 PWDGFLHLDDGINZ-ZDUSSCGKSA-N 316.807 4.934 30 20 DJED CCN(Cc1cc(F)c(F)c(F)c1)[C@H](C)c1ccc(C#N)cc1 508604496 NEQXXZYNXHLJRR-GFCCVEGCSA-N 318.342 4.559 30 20 DJED CCCC[C@@H](C)N(CCCC)C(=O)c1cccc(CC#N)c1 515014691 PSYOLAPEHNLLIA-MRXNPFEDSA-N 300.446 4.574 30 20 DJED Cc1cccc(C2(NCc3cc(C#N)ccc3F)CCCC2)c1 533510671 WZMYGYINKYJTCA-UHFFFAOYSA-N 308.400 4.565 30 20 DJED C=CCC[C@@H](N[C@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 536842011 XSGMCMDUGMSHHO-VQIMIIECSA-N 323.436 4.816 30 20 DJED N#Cc1ccccc1CN[C@@H](c1ccc(Cl)cc1)C1CCC1 539306569 JBQGENWVUUVUMQ-LJQANCHMSA-N 310.828 4.843 30 20 DJED C=CCCC[C@@H](C)NC(=O)c1c[nH]cc1-c1ccc(Cl)s1 539437452 YIUPZJCBSXOXFH-LLVKDONJSA-N 322.861 4.871 30 20 DJED C=CCCC[C@H](C)N[C@@H](C)c1nc2ccc(Cl)cc2n1C 539508560 CFJYAOWCFPDBDE-STQMWFEESA-N 305.853 4.622 30 20 DJED C=CCN(Cc1ccc(OC)cc1)Cc1ccc(Cl)s1 555877123 SESCIZDANPKXIT-UHFFFAOYSA-N 307.846 4.598 30 20 DJED CCC[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H](CC#N)C1 597911616 AFYHPCSUWKLPGS-ZWKOTPCHSA-N 304.478 4.525 30 20 DJED Cc1nc(-c2ccc([C@H](C)NC[C@H](C)CCC#N)cc2)cs1 602512178 RGOHSASVDKGVDC-KGLIPLIRSA-N 313.470 4.709 30 20 DJED CCC[C@H](Nc1ccc(C#N)cn1)c1cccc(C(F)(F)F)c1 608856094 HBEJFHDMGHYJGJ-HNNXBMFYSA-N 319.330 4.925 30 20 DJED N#Cc1cccc(/C=C\c2nc(-c3cccc4ccccc34)no2)c1 609475871 NPSLQMKJHAPHAB-QXMHVHEDSA-N 323.355 4.932 30 20 DJED C=CCN(Cc1ccccc1)C(=O)C[C@H](C)c1ccc(F)cc1 615936527 RPCSWDPRJCAZHA-INIZCTEOSA-N 311.400 4.534 30 20 DJED CCCCCC[C@H](C)CC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 727951560 KSYNGXLEEHHPLQ-GJZGRUSLSA-N 311.429 4.736 30 20 DJED C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1csc2ccccc12 729986363 LYEWQUPPQSDJQC-LLVKDONJSA-N 323.377 4.854 30 20 DJED N#C[C@@H](C(=O)C1CCCCCC1)c1nc2cc(F)ccc2s1 730416724 HGBHOBOJCQNJOA-ZDUSSCGKSA-N 316.401 4.582 30 20 DJED C=CC1CCN(C(=O)N[C@@H](C)c2csc3ccccc23)CC1 732246503 OETSFAPUUAMJQU-ZDUSSCGKSA-N 314.454 4.570 30 20 DJED CCOc1ccc(O)c(C=Nc2cccc(SCC)c2)c1 733750108 MJAIZMKBXNDEOD-UHFFFAOYSA-N 301.411 4.654 30 20 DJED CCCCC[C@H](NC(=O)CCc1ccc(C#N)cc1)C(C)(C)C 734345106 INQJBLZARCESLQ-SFHVURJKSA-N 314.473 4.602 30 20 DJED O=C(/C=C\c1c(Cl)cccc1Cl)c1ccc2c(c1)COC2 742436415 JTNLFVJNTCEZDS-SREVYHEPSA-N 319.187 4.920 30 20 DJED O=C(/C=C/C=C/c1ccccc1[N+](=O)[O-])c1coc2ccccc12 747706680 YGALXGXEEDJBMX-VNQMDCGWSA-N 319.316 4.793 30 20 DJED CC(=NN[C@H](C)c1ccccc1)c1sc(C(C)C)nc1C 751130446 LIBCIIVOKVGNQF-GFCCVEGCSA-N 301.459 4.650 30 20 DJED C(=NN(c1ccccc1)c1ccccc1)c1cnc2ccccn12 755465974 RLWUIPFPKCKVBN-UHFFFAOYSA-N 312.376 4.507 30 20 DJED CCSc1ccc(C(=O)/C=C\c2ccc(C#N)cc2F)cc1 755607247 VKUBKUUHZCAGPW-YFHOEESVSA-N 311.381 4.705 30 20 DJED Cn1cnc2cc(/C=C\C(=O)c3ccc4ccccc4c3)ccc21 761199146 CHRTVPGGMQAEFY-XFFZJAGNSA-N 312.372 4.623 30 20 DJED CCc1cnccc1C(=O)/C=C\c1ccc(C(F)(F)F)s1 761479023 JDNMKLUNRFLLSB-HYXAFXHYSA-N 311.328 4.620 30 20 DJED CCCCOc1ccc(/C=C/C(=O)c2ccc(C#N)s2)cc1 762443839 RYFVVRHSJKJPSO-UXBLZVDNSA-N 311.406 4.695 30 20 DJED C=CCC[C@@H](C(=O)OCc1cccc(C(C)=O)c1)c1ccccc1 777753222 HPZKBCFFAPTQFH-HXUWFJFHSA-N 322.404 4.682 30 20 DJED O=C(/C=C\c1cc(Cl)cc(C(F)(F)F)c1)c1ccncc1 780174498 DGNLWWDYUJYUNH-UPHRSURJSA-N 311.690 4.650 30 20 DJED CCCCC[C@@](C)(CC)C(=O)N(C)Cc1cccc(C#N)c1 780328430 XSKHICWMOSZHPH-LJQANCHMSA-N 300.446 4.513 30 20 DJED CC(C)CC[C@@H]1CCCC1=NNc1ccc2c(=O)[nH]ccc2c1 789073278 IQBVTIDJBCDLQD-AWEZNQCLSA-N 311.429 4.532 30 20 DJED C=CCCCCC[C@@H](C)N[C@H](CC)c1nnc2n1CCCCC2 793529929 YQFGNXZFMUXWPL-IAGOWNOFSA-N 318.509 4.570 30 20 DJED C=CC[C@@H](N[C@H](C)c1nccc2ccccc12)c1ccncc1 810218151 GMIJGSIOBKZIOU-DNVCBOLYSA-N 303.409 4.598 30 20 DJED CC(=NNc1ccc(C)cc1)c1nc2ccccc2n1C(F)F 812372744 PBSFHDOKSGYUBX-UHFFFAOYSA-N 314.339 4.576 30 20 DJED C=CCSC1=NC(=O)/C(=C/c2csc3ccccc23)S1 814773396 QNAZTYYTYAXNDF-JYRVWZFOSA-N 317.460 4.791 30 20 DJED N#CC1(C(=O)OCc2ccc(-c3ccccc3)cc2)CCCCC1 920020030 VUWWRBLDPREFDS-UHFFFAOYSA-N 319.404 4.871 30 20 DJED CCCC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(C#N)cc1Cl 1201921645 APOWBWUPHMMRGV-HIFRSBDPSA-N 319.836 4.692 30 20 DJED CCC[C@@H](CCc1ccccc1)NCc1ccc(C#N)c(F)c1 1254488394 VCYNWPHQLJUAJI-IBGZPJMESA-N 310.416 4.588 30 20 DJED Cc1cc(C#N)ccc1CN1C[C@@H](C)C[C@@H]1c1ccccc1F 1307503871 LROILPPBAZEGES-VBKZILBWSA-N 308.400 4.589 30 20 DJED N#Cc1cccc(CN2CCC[C@@H]2CCCc2ccccc2)c1F 1307581239 NMTXQVOLLVILRR-FQEVSTJZSA-N 322.427 4.685 30 20 DJED CCC[C@H](C)C(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@H](C)CC2 1436545318 CKLSIRSWOYAFDS-WOPDTQHZSA-N 304.459 4.680 30 20 DJED C=C(CNC(=O)c1coc2ccc(C(C)C)cc12)c1ccccc1 1460673627 KCIGUAKHDAZREN-UHFFFAOYSA-N 319.404 4.999 30 20 DJED CCC(C#N)(CC)C(=O)NCc1ccc(-c2ccccc2)c(C)c1 1538025669 SJCVWCMLEOJFOZ-UHFFFAOYSA-N 320.436 4.608 30 20 DJED CCc1ccc(C2=CCN(Cc3ccc(C#N)cc3C)CC2)cc1 1559706983 FIBONOSMPXVBHP-UHFFFAOYSA-N 316.448 4.718 30 20 DJED CCc1ccc(NC(=O)N(CCC#N)CCC(C)C)cc1Cl 1624575171 NOUSDSJEQGHESS-UHFFFAOYSA-N 321.852 4.696 30 20 DJED CCc1ccc([C@@H](NCc2ccc(C#N)cc2OC)C(C)C)cc1 1644881244 LDGXAVOSEZKDMM-NRFANRHFSA-N 322.452 4.616 30 20 DJED CCCOc1ccccc1[C@@H](CC(C)C)NCC1(CC#N)CC1 1645046151 CTGOHLHARMVGLK-GOSISDBHSA-N 314.473 4.846 30 20 DJED Cc1ccccc1COc1c(C)cc(CN[C@H](C)CC#N)cc1C 1651494635 UZKKIGXJAZCOEB-GOSISDBHSA-N 322.452 4.583 30 20 DJED CC(C)N(CCC#N)Cc1ccc(Oc2cccc(F)c2)cc1 1658334028 JQFTUGHSKMZYCC-UHFFFAOYSA-N 312.388 4.742 30 20 DJED COc1ccc(C#N)cc1N[C@@H]1C[C@@H](C)C[C@@H](c2ccccc2)C1 1658799642 HTDVHXQEBSFNFR-KFKAGJAMSA-N 320.436 4.951 30 20 DJED CC[C@@H](C)C[C@H](C)NC(=O)Nc1scc(C(C)(C)C)c1C#N 1671686467 NTZDDKACZXRVFL-NEPJUHHUSA-N 321.490 4.863 30 20 DJED C[C@@H]1CCC[C@@H](NC(=O)c2ccccc2-c2ccccc2C#N)C1 33183970 PNMMQQXRESLLLX-NVXWUHKLSA-N 318.420 4.534 30 20 DJED N#Cc1ccccc1CNc1ccc(Cl)c(C(F)(F)F)c1 37009229 ZLPBBJLQYGMWKO-UHFFFAOYSA-N 310.706 4.843 30 20 DJED C=CCOc1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1 65749279 CXECSMSWLSOWBZ-UHFFFAOYSA-N 322.191 4.811 30 20 DJED O=C(/C=C/c1ccc(O)c(Cl)c1)c1ccc(OC(F)F)cc1 72042000 YOVDQCSMNKZKFO-LREOWRDNSA-N 324.710 4.543 30 20 DJED O=C(/C=C\c1ccc(Br)cc1F)c1cccs1 96766406 XFVSFZPLNJTPKR-XQRVVYSFSA-N 311.175 4.546 30 20 DJED CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cc(F)ccc1F 154324191 NTVGXAPEUVTREH-KPZWWZAWSA-N 300.352 4.638 30 20 DJED O=C1/C(=C/c2cccnc2)CCc2c(Cl)sc(Cl)c21 157295377 MQBLODGDZLCMRO-RMKNXTFCSA-N 310.205 4.662 30 20 DJED C=CCN(CCC#N)C(=O)Nc1ccc(C(C)C)cc1C(C)C 292493399 ALQPIETVCOHTLO-UHFFFAOYSA-N 313.445 4.867 30 20 DJED CCCCCCCCN1CCC(c2ccccc2C(=O)O)CC1 375369658 XPVGTXCAQSHLBW-UHFFFAOYSA-N 317.473 4.925 30 20 DJED Cc1c(NCC#Cc2cccc(Cl)c2)cccc1-c1ncco1 427405196 DOAOXRWTTDSDLP-UHFFFAOYSA-N 322.795 4.767 30 20 DJED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cccc(Cl)c1Cl 436287996 UMIZABMYCQILSN-WQGACYEGSA-N 314.256 4.625 30 20 DJED Cc1cc(CNc2ccccc2CCC(F)(F)F)ccc1C#N 444004353 XJKWIEWYLWZRSO-UHFFFAOYSA-N 318.342 4.974 30 20 DJED C=CCCCCNC(=O)c1c(Cl)cc(Cl)cc1Cl 450960458 MNPGUEICNVWBSP-UHFFFAOYSA-N 306.620 4.733 30 20 DJED CCCC[C@@H](CC)C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 463312415 SZHZTNFDFZAZAL-DOTOQJQBSA-N 300.446 4.684 30 20 DJED CCC[C@@H]1C[C@H]1C(=O)Nc1sc(-c2ccccc2)cc1C#N 463466504 LOQQVQJCUHGKFJ-UKRRQHHQSA-N 310.422 4.661 30 20 DJED N#Cc1ccc(CNc2ccccc2OC2CCCC2)cc1F 479460241 YXNRADGZTOQSMG-UHFFFAOYSA-N 310.372 4.631 30 20 DJED Cc1sc(NC(=O)[C@H](C)c2cc3ccccc3o2)c(C#N)c1C 482563278 YLFTUYAIKXMTKD-LLVKDONJSA-N 324.405 4.725 30 20 DJED C[C@H](c1ccccc1Cl)N(C)Cc1ccc(F)cc1C#N 489552444 XQJMYKHZNINWNW-GFCCVEGCSA-N 302.780 4.544 30 20 DJED CN(Cc1ccccc1C(C)(C)C#N)Cc1cccc2[nH]ccc12 494060592 OQSCXFIJYBUMJE-UHFFFAOYSA-N 317.436 4.601 30 20 DJED CC[C@@H](NC[C@H]1CCCCC(F)(F)C1)c1ccc(C#N)cc1 495004896 NAQWUTWDQKQMOV-DOTOQJQBSA-N 306.400 4.815 30 20 DJED COc1ccc2ccccc2c1CNc1c(F)cc(C#N)cc1F 500519184 VSXZGOTVUHVWIT-UHFFFAOYSA-N 324.330 4.610 30 20 DJED CSc1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)cc1 502548751 OPYDLLFKIKSQBM-UHFFFAOYSA-N 320.461 4.569 30 20 DJED C[C@@H](C#N)CN(C)Cc1ccc(-c2ccccc2Cl)s1 509810204 GCGVSJNSPVNSOS-LBPRGKRZSA-N 304.846 4.660 30 20 DJED N#Cc1cccnc1N[C@@H](c1ccc(Cl)cc1)C1CCCC1 511374543 AIUZCUAHKFSCIG-QGZVFWFLSA-N 311.816 4.950 30 20 DJED C=C[C@H](CC(=O)N(C)[C@@H]1CCCc2ccccc21)c1ccccc1 536090326 LCZCYVZSUOULMP-DYESRHJHSA-N 319.448 4.882 30 20 DJED N#Cc1ccc2nc(NCc3c(F)cccc3Cl)ccc2c1 537872658 LHKHOASXBMQYCU-UHFFFAOYSA-N 311.747 4.511 30 20 DJED CC(C)c1ccc2c(c1)[C@H](NCc1ccc(C#N)s1)CCC2 540651456 BSOOVUMXYFNHQB-LJQANCHMSA-N 310.466 4.910 30 20 DJED CCC(C)(C)C(=O)CSc1ccc(C#N)c(C(F)(F)F)c1 558460546 KVTJNGJVKSYQBR-UHFFFAOYSA-N 315.360 4.674 30 20 DJED Cc1ccccc1[C@H](N[C@H]1CCc2ccc(C#N)cc21)C(C)C 584142877 XNNLOTNXTMMIIQ-LEWJYISDSA-N 304.437 4.841 30 20 DJED C[C@H](NC(=O)CC1(C#N)CCCCC1)c1c(F)cccc1Cl 597338762 PYKWBDXVOBWSIJ-LBPRGKRZSA-N 322.811 4.520 30 20 DJED CC(C)Nc1ccc(Cl)cc1NC(=O)CCCCCC#N 597893723 GLTOTYFYFLRKEE-UHFFFAOYSA-N 307.825 4.573 30 20 DJED CCCCN(CCCC)C(=O)Nc1ccc(C#N)c(Cl)c1 603647482 BTAGBFBOPALGDM-UHFFFAOYSA-N 307.825 4.646 30 20 DJED C=CCn1c(S[C@H]2CCC[C@H](C)C2)nnc1-c1ccoc1C 605076196 PPMSGCMQODGZJF-JSGCOSHPSA-N 317.458 4.703 30 20 DJED C[C@H]1C[C@H](N[C@@H](C)c2cccc(C#N)c2)c2ccsc2S1 610829943 SVNJLWYMEJWVGZ-MKBNYLNASA-N 314.479 4.896 30 20 DJED CC(=NNc1ccccc1C(F)(F)F)c1ccc(O)c(C)c1 728225493 UEIFDDJLJJTUJZ-UHFFFAOYSA-N 308.303 4.556 30 20 DJED CC(C)c1ccc(C(=O)/C=C/c2c(Cl)nc(Cl)n2C)cc1 728439267 GIMOSQLEMHFZGW-CMDGGOBGSA-N 323.223 4.746 30 20 DJED CC(C)Sc1ccc(C(=O)/C=C/c2ccc(C#N)cc2)cc1 728442147 XICRCRVMUUCJGP-KPKJPENVSA-N 307.418 4.955 30 20 DJED CN(Cc1ccc(OCC#N)cc1)Cc1ccc(C(C)(C)C)cc1 731210394 KBZZMJTUOALLND-UHFFFAOYSA-N 322.452 4.518 30 20 DJED CCCCCCCCCC(=O)Nc1cc(C(N)=O)ccc1Cl 732122169 LOIHYZSUCHPCCA-UHFFFAOYSA-N 324.852 4.518 30 20 DJED O=C1/C(=C\c2cccnc2Cl)CCCc2ccc(Cl)cc21 735232536 OQPHYGJUGDMMOP-XFXZXTDPSA-N 318.203 4.991 30 20 DJED O=C(/C=C\c1ccccc1F)c1ccc(-c2ccncc2)cc1 745990801 YKALCPHZAGPZKT-KTKRTIGZSA-N 303.336 4.784 30 20 DJED C(=NOCc1cccnc1)c1c2ccccc2cc2ccccc12 746575968 FHHVJJKKDCNPDB-UHFFFAOYSA-N 312.372 4.939 30 20 DJED N#Cc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)s1 749341494 YZFODTUPXOSACF-UHFFFAOYSA-N 319.389 4.616 30 20 DJED C#CC[C@@H](NCc1ccc(C(F)(F)F)cc1)c1ccccc1 756995218 DSTDIJXTVDBWEP-QGZVFWFLSA-N 303.327 4.560 30 20 DJED CCN(Cc1ccc(C(F)(F)F)cc1)Cc1cc(C#N)cs1 768512810 OTXAOQBVPDKMLT-UHFFFAOYSA-N 324.371 4.661 30 20 DJED O=C(/C=C\C1=Cc2cc(Cl)cc(Cl)c2OC1)c1ccco1 769772359 YJNHJHXCDTXETR-ARJAWSKDSA-N 321.159 4.801 30 20 DJED C=CCC[C@@H](Nc1ccc(-c2nc(C)no2)cn1)c1ccccc1 771929360 XVPPFYFPUDFNIS-QGZVFWFLSA-N 320.396 4.559 30 20 DJED C#CCCCCCC(=O)N1CC=C(c2cccc3ccccc23)C1 780740238 BAVJYERECKBFFM-UHFFFAOYSA-N 317.432 4.649 30 20 DJED Cc1cc(/C=C/C(=O)c2cncs2)c(C)n1C1CCCCC1 787170635 ZGDSCJXIUUXYIX-CMDGGOBGSA-N 314.454 4.963 30 20 DJED O=C(/C=C\c1ccc(-c2cccc(F)c2F)o1)c1cncs1 790219790 NKDMQZSSRGKMII-XQRVVYSFSA-N 317.316 4.577 30 20 DJED COc1ccccc1CON=Cc1ccc(SC(F)F)cc1 799118395 DJQXUIVDVUONDG-UHFFFAOYSA-N 323.364 4.561 30 20 DJED CC(C)N(CCOCCC#N)c1ccc(Nc2ccccc2)cc1 815070700 YZDHJBWPWICMFX-UHFFFAOYSA-N 323.440 4.575 30 20 DJED CC(C)(C)Sc1ccc(NC[C@@H](C#N)CCC#N)cc1F 819489081 ORGBQNGOZJNIRI-GFCCVEGCSA-N 305.422 4.572 30 20 DJED FC(F)(F)C1CCC(C=NNc2ccc(Cl)cn2)CC1 853437264 IFLGAFZXIRXYJU-UHFFFAOYSA-N 305.731 4.501 30 20 DJED CC(C)O[C@H](CNc1ccccc1O[C@H](C)C#N)c1ccccc1 877183709 HJTXKYSQAQRKFG-OXQOHEQNSA-N 324.424 4.556 30 20 DJED C=CCCO[C@@H](C)C(=O)Nc1ccc2c(c1)oc1ccccc12 921151577 RRDMANVAABPCIN-ZDUSSCGKSA-N 309.365 4.506 30 20 DJED CC(C)(CC#N)COC(=O)c1ccc(-c2cccs2)s1 1122720880 OHCSDOWHOXBCES-UHFFFAOYSA-N 305.424 4.573 30 20 DJED N#CC1(CC(=O)N[C@@H](c2ccccc2)C2CCC2)CCCCC1 1125986540 ZQXJUBYBMFYUAP-IBGZPJMESA-N 310.441 4.508 30 20 DJED CC[C@@H](C)c1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)cc1 1127090848 WMPKRLMCRPVRMP-CABCVRRESA-N 307.393 4.990 30 20 DJED N#Cc1nc(NC(C2CCCC2)C2CCCC2)ccc1Cl 1164196110 ZWQKODNMBYTCHQ-UHFFFAOYSA-N 303.837 4.768 30 20 DJED CC(=O)c1c(C)cc(C)c(COc2ccc(C#N)c(C)c2)c1C 1166101108 HJJFZNVXIXVBRA-UHFFFAOYSA-N 307.393 4.574 30 20 DJED CCC1(CC)CCC(NC(=O)Nc2cc(C#N)ccc2F)CC1 1219049974 KWXKPQVFXFNQNZ-UHFFFAOYSA-N 317.408 4.568 30 20 DJED Cc1cccc(C2(C(=O)Nc3cccc(C#N)c3C)CCCC2)c1 1435497999 VFLYUPYYXIYVTB-UHFFFAOYSA-N 318.420 4.626 30 20 DJED Cc1cc(Nc2ccc(CCC(F)(F)F)cc2)ncc1C#N 1458235646 TZQWKEQSJHSCCE-UHFFFAOYSA-N 305.303 4.500 30 20 DJED N#Cc1ccc(OCc2ccc(-c3ccccc3)cc2)c(F)c1 1458999370 NJDHZMUSTPUPGT-UHFFFAOYSA-N 303.336 4.943 30 20 DJED C=C(Br)CN[C@@H](c1oc2ccccc2c1C)C(C)C 1459857566 JMBXAOJIKNEMQS-OAHLLOKOSA-N 322.246 4.937 30 20 DJED N#CCc1cccc(NC(=O)c2ccc3c(c2)-c2ccccc2C3)c1 1526248198 IUMCMZSYFMHHHH-UHFFFAOYSA-N 324.383 4.576 30 20 DJED CCc1ccc([C@@H](C#N)N(C)C(=O)[C@@H](C)CCC(C)(C)C)cc1 1527597781 XXYHOBNTTFATEI-MAUKXSAKSA-N 314.473 4.734 30 20 DJED C[C@H](OC(=O)Cc1cccc2ccccc12)c1ccc(C#N)cc1 1539792005 TYQFKVTZKVQSDQ-HNNXBMFYSA-N 315.372 4.558 30 20 DJED Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2ccc(C#N)cc2C)o1 1559569699 FEXZCELHKFEEOR-IFXJQAMLSA-N 308.425 4.741 30 20 DJED CCC(=O)c1cc(Cl)ccc1OCc1cc(F)ccc1C#N 1613205064 FNPHRDKNSOOYIJ-UHFFFAOYSA-N 317.747 4.522 30 20 DJED Cc1cc(OCc2csc(Nc3ccccc3)n2)ccc1C#N 1613750054 OEWOLIZNIZXUOF-UHFFFAOYSA-N 321.405 4.646 30 20 DJED Cc1ccc(C#N)c(N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)n1 1642815158 SOMFBZWYCZMRDW-RHSMWYFYSA-N 311.816 4.663 30 20 DJED C[C@H]1N(Cc2ccc(C#N)cc2Cl)c2ccccc2C1(C)C 1647755165 VYTKNXMJSOYTMX-CYBMUJFWSA-N 310.828 4.898 30 20 DJED CC[C@@H](Nc1nc(C#N)c(Cl)s1)c1ccc(C)c(F)c1 1650919466 KZGKRYOXHQRPFI-LLVKDONJSA-N 309.797 4.679 30 20 DJED C[C@H]1C[C@H](c2ccccc2)C[C@H](Nc2c(C#N)cccc2C#N)C1 1651145088 YQOBQJJBYGBZCE-RYGJVYDSSA-N 315.420 4.814 30 20 DJED CC(C)c1ccccc1CN(Cc1ccc(C#N)cc1)C1CC1 1653865278 SHGTZZGSNZZYSA-UHFFFAOYSA-N 304.437 4.846 30 20 DJED N#Cc1cncc(Nc2ccc(Oc3cccc(Cl)c3)cc2)n1 1655051721 QSKJUEIQVNJMOF-UHFFFAOYSA-N 322.755 4.538 30 20 DJED CCCCN(CCOc1cccc(C#N)c1)[C@H](C)c1ccccc1 1657390740 XPPIWWLHUNAMCI-GOSISDBHSA-N 322.452 4.800 30 20 DJED N#CCc1cccc(N[C@@H]2CC=C(c3ccc(F)cc3)CC2)c1 1664751925 PETCNXVRZMNCSI-LJQANCHMSA-N 306.384 4.940 30 20 DJED CC[C@@H](C)c1ccc(C(C)=NNc2ccc(CC(=O)O)cc2)cc1 1776085541 UGFNZAHOQYRSQA-CQSZACIVSA-N 324.424 4.663 30 20 DJED CCCCCCC[S@@](=O)Cc1cc(-c2cccs2)on1 133476580 YAMDNUJMWCMSAQ-FQEVSTJZSA-N 311.472 4.622 30 20 DJED C=CCCCCCN(C)Cc1nnc(-c2cccc(Cl)c2)o1 150896331 BSPSRLNAHQRVQY-UHFFFAOYSA-N 319.836 4.568 30 20 DJED N#CCCCCSCc1ccc(F)cc1Br 161185494 QDBJWGIIDXBCDJ-UHFFFAOYSA-N 302.212 4.515 30 20 DJED CC(C)(CCC#N)CNc1ccc(COC2CCCC2)cc1 174421984 WTXSIVVZYWBGKV-UHFFFAOYSA-N 300.446 4.888 30 20 DJED N#CCCSc1ccccc1NCc1cc(F)ccc1F 176880512 MPOWZGOUIOYGAE-UHFFFAOYSA-N 304.365 4.583 30 20 DJED CC(C)(C#N)CCCN[C@@H](CC(F)(F)F)c1ccc(F)cc1 180552616 CBHLASGSVIQTMI-AWEZNQCLSA-N 316.342 4.739 30 20 DJED Cc1ccccc1[C@@H](C)Nc1ccc(C#N)c(Br)c1 228181505 KIHYSIRQOWRCED-GFCCVEGCSA-N 315.214 4.802 30 20 DJED Cc1ccccc1[C@@H](Nc1snc(Cl)c1C#N)C(C)C 301947370 DBIOXDYQRIPYFD-ZDUSSCGKSA-N 305.834 4.786 30 20 DJED N#CCC[C@@H](N[C@@H]1CCc2ccc(Cl)cc21)c1ccccc1 358343689 SYRGEFASFBBAAE-RTBURBONSA-N 310.828 4.962 30 20 DJED N#C[C@@H]1CC[C@@H](N[C@H](c2ccccc2)c2cccc(Cl)c2)C1 442777741 AAZFYUTWJSHOTL-NIKGAXFTSA-N 310.828 4.711 30 20 DJED C[C@H](N[C@@H]1c2ccccc2CCC[C@@H]1C)c1cccc(C#N)c1 462842221 XMIFERHVXSUJOJ-QYWGDWMGSA-N 304.437 4.923 30 20 DJED COc1ccccc1[C@H](C)SCc1cc(C#N)ccc1F 463212430 UCTUAAFMDZINCQ-LBPRGKRZSA-N 301.386 4.700 30 20 DJED C=C[C@@](C)(CC)C(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 468281942 NJJHGILMGCCHMK-WBMJQRKESA-N 313.363 4.527 30 20 DJED C=CCCCC(=O)N(Cc1ccco1)c1ccc(F)cc1C 481765828 KRHRFNOBMYLBMS-UHFFFAOYSA-N 301.361 4.617 30 20 DJED C=CCCCC(=O)Nc1cnn(-c2ccc(C)cc2)c1C(C)C 481882063 BELFIKLKBBDHFR-UHFFFAOYSA-N 311.429 4.599 30 20 DJED CC(C)(C#N)c1ccccc1CN1CC[C@@H](c2ccc(F)cc2)C1 483098227 CBHICXBEEWWXPB-QGZVFWFLSA-N 322.427 4.616 30 20 DJED CCCN(c1ncccc1C#N)[C@@H](C)c1cc2ccccc2o1 498868677 STTGABZOBVSZMC-AWEZNQCLSA-N 305.381 4.677 30 20 DJED CCN(C[C@@H]1CCCC(F)(F)C1)[C@H](C)c1ccc(C#N)cc1 513887271 BFSKSJISMALVBK-GDBMZVCRSA-N 306.400 4.767 30 20 DJED CCCC[C@H](C)N(CCCC)C(=O)c1ccc(F)c(C#N)c1 516595072 RUBMFNBUFAYGOZ-AWEZNQCLSA-N 304.409 4.518 30 20 DJED CC[C@@H](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)C 520826183 DRYNBMVERWPNIP-GJZGRUSLSA-N 318.486 4.949 30 20 DJED C=CCN(Cc1ccccc1)C(=O)[C@H](C)c1cccc(Cl)c1 525665092 JCATWKDLNQPIAD-OAHLLOKOSA-N 313.828 4.658 30 20 DJED C=CCC[C@@H](NCc1cccc(NC(=O)[C@H](C)CC)c1)C1CC1 539092594 CEEJJOBKQQVXNB-DNVCBOLYSA-N 314.473 4.506 30 20 DJED C=CCC[C@@H](NCCc1csc(C(C)C)n1)c1ccco1 556873378 WLHBJTXXEZTMFJ-OAHLLOKOSA-N 304.459 4.699 30 20 DJED C=CCOc1cccc(CNCc2cc3ccccc3s2)c1 559307071 MRJMRPXPEBIERU-UHFFFAOYSA-N 309.434 4.756 30 20 DJED CCC(CC)N(C(=O)CCCCCC#N)c1cccc(C)c1 588981061 LFGGYMVIPDXSKP-UHFFFAOYSA-N 300.446 4.991 30 20 DJED CCC1(CC)CCCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 598218057 DKJOPODIDONMQS-SFHVURJKSA-N 312.457 4.503 30 20 DJED CC(C)C[C@@H](C)CC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 609010755 RJNIDOOUOBLIJZ-QGZVFWFLSA-N 314.473 4.615 30 20 DJED CC[C@](C)(C#N)NC(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F 609331432 FXKVZVVJDVAUGO-HXUWFJFHSA-N 324.399 4.532 30 20 DJED C=C(C)[C@@H](N[C@@H]1CCCc2ncccc21)c1ccc(F)c(F)c1 631619275 SGNRFJXFFDXQQF-RTBURBONSA-N 314.379 4.644 30 20 DJED Fc1ccc([C@H]2CCCC2=NNc2cnc3ccccc3n2)cc1 741163552 VJRNSLABUMCBLB-OAHLLOKOSA-N 320.371 4.505 30 20 DJED CCC(=NNc1oc(C(C)C)nc1C#N)c1cccc(Cl)c1 745612246 VAHGJYJRECSHQH-UHFFFAOYSA-N 316.792 4.549 30 20 DJED CCCCCCCC(=O)Nc1cc(Cl)ccc1NC(C)=O 746792278 VMPBWANHIPXPNI-UHFFFAOYSA-N 310.825 4.597 30 20 DJED O=C(/C=C/c1cc2ccccc2o1)c1ccc(OC(F)F)cc1 750895458 HNOIBQKRPWDDPQ-MDZDMXLPSA-N 314.287 4.930 30 20 DJED O=C1/C(=C/c2cc3ccccc3o2)CSc2ccc(F)cc21 750901116 CBLUWLFPCHNQEQ-XYOKQWHBSA-N 310.349 4.944 30 20 DJED CCCCCCCCOCC(=O)Nc1c(C)cccc1Cl 754322071 GXFMGWBPCCZBSL-UHFFFAOYSA-N 311.853 4.964 30 20 DJED C[C@H](NCc1ccc(OCC#N)cc1)c1csc2ccccc12 754745847 XLWDXDOEQVKEAQ-AWEZNQCLSA-N 322.433 4.654 30 20 DJED C#CCOc1ccc([C@@H](C)N[C@@H](C)c2cc(C)sc2C)cc1 764764900 XBMSAPOHEMJVMC-CABCVRRESA-N 313.466 4.789 30 20 DJED CC(=NNc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cn1 774392156 BXWCDVVZIZRTJC-UHFFFAOYSA-N 313.710 4.590 30 20 DJED CC(=NNc1cc(C)ccc1F)c1ccc([N+](=O)[O-])cc1Cl 782229846 VHYCRTNXZGCLLN-UHFFFAOYSA-N 321.739 4.532 30 20 DJED Cc1c(C(=O)/C=C\c2sccc2Cl)cccc1[N+](=O)[O-] 782341947 MTSGVQJMHZVVRQ-WAYWQWQTSA-N 307.758 4.514 30 20 DJED C=CCOc1ccc(CN(C(=O)/C=C/C=C/C)C(C)(C)C)cc1 786644707 TUFNKSFAVLZZLT-QGHYKFKQSA-N 313.441 4.511 30 20 DJED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1csc2ccccc12 787192900 FMFMKNCNFFNKGU-UONOGXRCSA-N 314.454 4.712 30 20 DJED CC(=NNc1ncccc1C(F)(F)F)C1CCC(F)(F)CC1 788712032 MBASSRSFBVOPTM-UHFFFAOYSA-N 321.293 4.714 30 20 DJED FC(F)(F)c1cnc(NN=C2CC[C@@H]2C2CCC2)c(Cl)c1 814697438 OAHQQCOGIBEQJJ-SNVBAGLBSA-N 317.742 4.732 30 20 DJED COc1ccc(CNN=Cc2cc(-c3ccccc3)cs2)cc1 917546820 ACIBVUQCBCKBSO-UHFFFAOYSA-N 322.433 4.547 30 20 DJED C=C(Br)CSCc1ccc(Br)cc1 1188129575 QOVUFGLRDJSGJS-UHFFFAOYSA-N 322.065 4.591 30 20 DJED CCc1cc2c(N[C@@H](C)c3ccc(C#N)cc3)nc(C)nc2s1 1306944240 GWOBEFCEKCGALW-NSHDSACASA-N 322.437 4.607 30 20 DJED N#Cc1cccc(C#N)c1N[C@@H]1CC=C(c2ccc(F)cc2)CC1 1307079708 VZJZRLYFXHYPFB-LJQANCHMSA-N 317.367 4.617 30 20 DJED C(=NN(c1ccccc1)c1ccccc1)c1cccc2c[nH]nc12 1319059388 RZRBDQNAANOXRH-UHFFFAOYSA-N 312.376 4.735 30 20 DJED CC1(C)[C@H](Nc2ccc(OCC#N)cc2)C[C@@H]1c1ccccc1 1325557869 GUISYWKJTJGGMD-RTBURBONSA-N 306.409 4.583 30 20 DJED CC(C)(C)C[C@H](NC(=O)c1csc(C#N)c1)c1ccccc1 1354114109 CERMCNPCRPGIMQ-INIZCTEOSA-N 312.438 4.527 30 20 DJED N#Cc1ccc(SCc2cc(Cl)sc2Cl)nc1 1458902971 NCKZXGZNERKSIL-UHFFFAOYSA-N 301.223 4.614 30 20 DJED C[C@H](OC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)c1cccc(C#N)c1 1516882216 KTCAFMXSEAZMDH-OYSPMZIOSA-N 311.425 4.769 30 20 DJED C[C@@H](OC(=O)c1ccc(Cl)cc1Cl)c1cccc(C#N)c1 1518199513 YKKNLTJABFHOTR-SNVBAGLBSA-N 320.175 4.783 30 20 DJED CCCCC1CCC(C(=O)Nc2cc(C#N)ccc2F)CC1 1528456543 NFMQMPCMWHRUBU-UHFFFAOYSA-N 302.393 4.632 30 20 DJED CC(C)(C#N)CC(=O)N1c2ccccc2CC[C@@H]1c1ccccc1 1537518241 BKYMPJJAAZPVGP-LJQANCHMSA-N 318.420 4.647 30 20 DJED C[C@@H]1CCC[C@@H](Nc2nccc(Oc3cccc(C#N)c3)n2)CC1 1559168465 RWZAQPYKBLCARC-GDBMZVCRSA-N 322.412 4.521 30 20 DJED CCCC(CCC)SCc1cccc(C(=O)OC)c1C#N 1559365060 WBNMMIITFFSZSK-UHFFFAOYSA-N 305.443 4.547 30 20 DJED CC[C@@H](CN(CC)Cc1ccc(C#N)c(C)c1)c1ccccc1 1560772436 XPTPINBVCOECON-IBGZPJMESA-N 306.453 4.882 30 20 DJED Cc1csc(NC(=O)Nc2cccc3ccsc23)c1C#N 1562766467 FZPGQOHXPOBZQH-UHFFFAOYSA-N 313.407 4.787 30 20 DJED CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1cc(C#N)cs1)CCC2 1584111477 LYSYUUVUUYQISL-KRWDZBQOSA-N 324.449 4.551 30 20 DJED CC(C)(C)C1CCC(CC(=O)Nc2ccc(C#N)c(F)c2)CC1 1584264040 IGWLBWIFUFNGQN-UHFFFAOYSA-N 316.420 4.878 30 20 DJED CC(C)(C)c1ccc(C#N)c(OCCc2ccc(Cl)cc2)n1 1614547906 KFUABWIKTIVRHW-UHFFFAOYSA-N 314.816 4.526 30 20 DJED CCc1nc(C(C)C)ccc1CN(CCC#N)CCC(C)C 1641934481 NHRBSNDUNHUWKI-UHFFFAOYSA-N 301.478 4.529 30 20 DJED Cc1ccc([C@H]2CCCN2c2ncc(Cl)c(C)c2C#N)cc1 1642040310 MSIQMZLNSNXTCZ-QGZVFWFLSA-N 311.816 4.565 30 20 DJED Cc1cc(C#N)nc(N[C@@H](c2ccc(F)cc2)C2CCCCC2)n1 1652129038 QIOQTDMTINAGNU-GOSISDBHSA-N 324.403 4.529 30 20 DJED C=C(Cl)CN[C@@H](C)c1ccccc1OCc1ccccc1 1658095659 GWHSHJRBCVFLEW-HNNXBMFYSA-N 301.817 4.669 30 20 DJED CCN(Cc1cccc(Oc2ccc(Cl)cc2)c1)[C@H](C)C#N 1659559488 SOIOQOYYLNREME-CQSZACIVSA-N 314.816 4.866 30 20 DJED CC(C)[C@H](CN[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 1662682194 WKOMFWWVORAJKL-FCHUYYIVSA-N 318.464 4.965 30 20 DJED N#Cc1c(CSc2ccc3ccccc3n2)cn2ccccc12 14071627 CTDUYLGEGUYTRG-UHFFFAOYSA-N 315.401 4.651 30 20 DJED CCc1c(C(=O)/C=C/c2ccc(C#N)cc2)oc2ccccc12 16394330 RCQDNCKBKWKKSD-VAWYXSNFSA-N 301.345 4.763 30 20 DJED CCSc1cccc(NC(=O)Nc2ccc(CC#N)cc2)c1 73177733 UDRLELKJGCOITC-UHFFFAOYSA-N 311.410 4.509 30 20 DJED CC[C@@H](NCc1cc(C#N)ccc1F)c1ccc(Cl)s1 90117452 XSOFTCGIULJAMJ-CYBMUJFWSA-N 308.809 4.653 30 20 DJED Cc1ccsc1C(=O)/C=C/c1ccc(N2CCCCC2)cc1 103223553 YNUOTPDVCANPPV-JXMROGBWSA-N 311.450 4.943 30 20 DJED CCN(CC(C)C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 109028253 JXKNVQDQUDVLKM-AWEZNQCLSA-N 319.474 4.591 30 20 DJED C=C(C)CSc1ncc(-c2ccccc2)n1CC(F)(F)F 109623055 HDVRRQITOOZZFR-UHFFFAOYSA-N 312.360 4.781 30 20 DJED C=C[C@@](C)(CC)C(=O)N1Cc2ccccc2-c2ccccc2C1 187951721 QRBUMKHUJXNWGU-NRFANRHFSA-N 305.421 4.798 30 20 DJED CC(C)(C#N)CCCNc1ccc(Br)c(Cl)c1 227596151 MZAUHTIHXFZOPX-UHFFFAOYSA-N 315.642 4.844 30 20 DJED C=CCOc1ccc(CN[C@H](c2ccc(OC)cc2)C2CC2)cc1 237273529 YEPQCUUTBRWKQI-NRFANRHFSA-N 323.436 4.501 30 20 DJED CSc1ccc(CSCCCC2(C#N)CCOCC2)cc1 281064526 UPOVUYGGWBPTAS-UHFFFAOYSA-N 321.511 4.742 30 20 DJED N#Cc1ccc(NCc2cc3ccccc3o2)cc1C(F)(F)F 322052057 PPDMZPXWXLATLN-UHFFFAOYSA-N 316.282 4.935 30 20 DJED CC(O)=Nc1nc(/C(O)=N/[C@@H]2CCCCC23CCCC3)cs1 329630677 QYZGFUNJIFXIHE-CYBMUJFWSA-N 321.446 4.559 30 20 DJED CC[C@@H]1CCCC[C@H]1/C(O)=N/C1(c2noc(C)n2)CCCCC1 330003982 ATCDHJBEFPHYGJ-HUUCEWRRSA-N 319.449 4.710 30 20 DJED N#CCSCCCN[C@H](CC1CCCC1)c1ccccc1 342223792 NWYQLPHXBKROPA-GOSISDBHSA-N 302.487 4.544 30 20 DJED CC[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1ccc(C)cc1 353511203 BOCNEBSRIPLKPR-PMACEKPBSA-N 320.436 4.650 30 20 DJED N#CC1(CSCc2coc(-c3ccc(Cl)cc3)n2)CCC1 419372875 HWCQUVKLGIYQNK-UHFFFAOYSA-N 318.829 4.922 30 20 DJED CC(C)(CCC#N)CN1CC[C@@H](Sc2cccc(Cl)c2)C1 430197899 WUTCKEBTWQGRSC-MRXNPFEDSA-N 322.905 4.836 30 20 DJED CC[C@@H](c1ccccc1)N(CC)C(=O)Nc1cccc(C#N)c1C 431938113 LYTDVKVHQSTDGM-IBGZPJMESA-N 321.424 4.872 30 20 DJED C=C[C@@H](CC(=O)Nc1nc(C2CCC2)cs1)c1ccccc1 436170543 MMYCMRBIGDYJOL-ZDUSSCGKSA-N 312.438 4.709 30 20 DJED C=CC[C@H]1N(C(=O)c2cnc(C(C)(C)C)s2)CCCC1(C)C 443867370 KGHXFYVJNLIYEH-CQSZACIVSA-N 320.502 4.648 30 20 DJED CCSc1ccc([C@H](C)NC2CCC(C)(C#N)CC2)cc1 449124830 HNZJJHAQVBGFCT-NXVRBGIVSA-N 302.487 4.922 30 20 DJED C[C@H](c1ccc(-c2ccccc2)cc1)N(C)c1ccc(C#N)cn1 462922181 BMOOQEFWEZRXRX-MRXNPFEDSA-N 313.404 4.818 30 20 DJED C=C[C@H]1CCCCN1C(=O)CCC[C@@H](C)c1cccc(OC)c1 468821691 DSCNBHJGDAOPDA-AEFFLSMTSA-N 315.457 4.536 30 20 DJED C=C[C@@](C)(CC)C(=O)Nc1cc(Cl)c(Cl)cc1OC 485892413 XERMHBLVIAMYNY-AWEZNQCLSA-N 302.201 4.543 30 20 DJED C[C@H](CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1)C1CCCCC1 499836056 IAOPLWCHIRIVTB-DYVFJYSZSA-N 318.848 4.627 30 20 DJED N#C[C@H](NC(=O)C1CCC(c2ccccc2)CC1)C1CCCCC1 506538579 NVNTXZGRFNICFV-UUKMXZOPSA-N 324.468 4.549 30 20 DJED Cc1c(C#N)cccc1C(=O)N(c1ccccc1F)C1CCCC1 510087129 QPXPAERFWUJLCJ-UHFFFAOYSA-N 322.383 4.595 30 20 DJED C=CC[C@@H](C)NC(=O)Nc1ccccc1Oc1cccc(F)c1 522656911 SJXIQEWWBLYLFN-CYBMUJFWSA-N 314.360 4.704 30 20 DJED CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2F)c1C#N 524330315 HIEJDDUIBFYSNM-UHFFFAOYSA-N 322.792 4.535 30 20 DJED CCSc1cccc(F)c1NCc1cccc(C#N)c1F 560366316 CXFBXVRDLKAFAV-UHFFFAOYSA-N 304.365 4.561 30 20 DJED CCc1ccc([C@@H]2CCCCCN2C(=O)CCCCCC#N)o1 588755508 JVWRICKZCXDGDX-KRWDZBQOSA-N 316.445 4.760 30 20 DJED C[C@@H](Cc1ccc(C#N)cc1)c1nc([C@@H](C)c2cccs2)no1 594528334 AGRMYBUEARQAGR-STQMWFEESA-N 323.421 4.501 30 20 DJED N#CCC1(CNc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 594703480 QQCIXNWZBSLHHK-UHFFFAOYSA-N 321.355 4.595 30 20 DJED CCc1cccc2cc(CN[C@@H](C)c3ccc(C#N)cc3)oc12 594914110 CTTLBZPRJICMKY-AWEZNQCLSA-N 304.393 4.718 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1ccc(SC)cc1 603681216 VCKVNYHVVNOJCT-UHFFFAOYSA-N 310.466 4.692 30 20 DJED CSc1ccc(/C=C\C(=O)c2cn(C)c3ccccc23)cc1 726741001 RPGJXAFQRHCTEU-XFXZXTDPSA-N 307.418 4.796 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(Br)cc1)C2 730948274 BAOBKYRENNZZMH-NTEUORMPSA-N 313.194 4.580 30 20 DJED FC(F)(F)c1cc(Br)ccc1NN=C1CCCC1 731486740 CCOFWBIQYQBERL-UHFFFAOYSA-N 321.140 4.810 30 20 DJED C#CCOc1ccc(CN[C@@H](C)c2ccc(C(C)C)cc2)cc1 733323024 JNVSSFPHDNUMCA-KRWDZBQOSA-N 307.437 4.673 30 20 DJED Cc1ccsc1C(=O)/C=C/c1cc(Br)cs1 733748977 PDEZKPZTJXZVTA-NSCUHMNNSA-N 313.241 4.777 30 20 DJED CCc1cccc2c(/C=C\C(=O)c3ccc4c(c3)COC4)c[nH]c12 742436698 MYNJGPFDNJEDKD-HJWRWDBZSA-N 317.388 4.657 30 20 DJED O=C1/C(=C/c2cccc(-c3cccnc3)c2)Cc2ccc(F)cc21 768491195 XVYULFZCNUAVOA-VCHYOVAHSA-N 315.347 4.710 30 20 DJED N#C[C@H](OC(=O)CCCc1c[nH]c2ccccc12)C1CCCCC1 776359595 KKXSWMZTIZURBK-IBGZPJMESA-N 324.424 4.506 30 20 DJED C=CCOc1cccc(/C=C\C(=O)c2ccc(C#N)cc2Cl)c1 788360731 METTXTHQBYTUHU-CLFYSBASSA-N 323.779 4.673 30 20 DJED CCCCOc1ccc(C(=O)/C=C/c2ccnn2C(C)C)cc1 789157990 TWMOISXWMWZBPP-DHZHZOJOSA-N 312.413 4.539 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc(SC)s2)cc1F 798230685 ALDVOIGQZCPMQV-XQRVVYSFSA-N 308.399 4.514 30 20 DJED C=CCCCCCCNC(=O)N1CCC[C@H]1c1ccsc1 806004880 SXUPBAGJOQVFLA-INIZCTEOSA-N 306.475 4.731 30 20 DJED Cc1sc2ncnc(NN=Cc3cc4ccccc4o3)c2c1C 812393040 DGPBTEWRSWHQOR-UHFFFAOYSA-N 322.393 4.500 30 20 DJED CCc1ccc([C@H](C)C(=O)[C@H](C#N)c2nc(C3CC3)cs2)cc1 842940451 ADYQKYRCBILDRW-LRDDRELGSA-N 324.449 4.563 30 20 DJED COc1cccc(NN=C(C)c2ccc(C(F)(F)F)cc2)c1 915955379 CFIFGCVLFRGMFX-UHFFFAOYSA-N 308.303 4.550 30 20 DJED Oc1cccc(C=Nc2cccc(Nc3ccccc3)c2)c1O 920942232 SRVJASYTLRJMAO-UHFFFAOYSA-N 304.349 4.592 30 20 DJED Cc1ccc(-c2ccsc2C(=O)O[C@H]2CC[C@@H](C#N)C2)cc1 1122718315 WEUKRTRUBYAUSI-HIFRSBDPSA-N 311.406 4.573 30 20 DJED CC(C)[C@H](C)C(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@H]2C 1129333479 MKMGWWCCZIXOPK-TUAOUCFPSA-N 304.459 4.536 30 20 DJED Cc1cc(C)cc(-c2ccc(CNCC3(C#N)CCC3)cc2)c1 1179776435 UXSHJFDKFJCTNC-UHFFFAOYSA-N 304.437 4.754 30 20 DJED N#Cc1ccc(CCSC2=Nc3ccccc3CS2)cc1 1188466050 NMOSJFFASBZBEP-UHFFFAOYSA-N 310.447 4.768 30 20 DJED CC[C@@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 1264096217 NPBPGBUXOXCFMR-VXGBXAGGSA-N 318.486 4.755 30 20 DJED C[C@H]1CCc2sc(NC(=O)C[C@@H](C)C3CC3)c(C#N)c2[C@H]1C 1274492177 KIBXFMXPNMQXMY-TUAOUCFPSA-N 316.470 4.680 30 20 DJED Cc1ccnc(N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)c1C#N 1307144068 VCDOARLHFPVFKB-GDBMZVCRSA-N 311.816 4.663 30 20 DJED Cc1ccccc1[C@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 1307444279 RRWSZULVOHPYNW-INIZCTEOSA-N 310.828 4.510 30 20 DJED CC(C)COc1cccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)c1 1355916102 TUGLJPVSIMXNKI-HNNXBMFYSA-N 323.392 4.511 30 20 DJED CCc1c(C)sc(NC(=O)c2cccc(C3CC3)c2)c1C#N 1435011227 WTJWVAXKPBRGJU-UHFFFAOYSA-N 310.422 4.620 30 20 DJED CC[C@@H](C)Oc1cc(CNc2cc(C#N)ccc2C)ccc1OC 1560498184 WSTMAIFJGTWBFV-OAHLLOKOSA-N 324.424 4.665 30 20 DJED COc1cc(CN2CC[C@@H](CC(C)(C)C)C2(C)C)ccc1C#N 1560882704 WUEOWQUAVDZFST-KRWDZBQOSA-N 314.473 4.604 30 20 DJED COc1ccc(C#N)cc1N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 1652158738 KZDCHVRYEKNIDN-HZPDHXFCSA-N 300.446 4.974 30 20 DJED COc1ccc(-c2ccccc2C)cc1CNCC(C)(C)CC#N 1662623198 FLDRGIHMUJYRAN-UHFFFAOYSA-N 322.452 4.700 30 20 DJED Cc1cc(C#N)cc(NC(=O)N2CCCCC[C@@H]2CC(C)C)c1 1678413384 RVNCWUWQACZEBT-GOSISDBHSA-N 313.445 4.689 30 20 DJED C=CCOc1cccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1 65749585 ZHHMDQCIFHLZIY-UHFFFAOYSA-N 320.392 4.602 30 20 DJED C=CCOc1ccc(CN[C@H](CC)c2ccccc2)cc1OC 66117002 YXBZFJRULVKNKD-GOSISDBHSA-N 311.425 4.501 30 20 DJED C[C@@H](C(=O)Nc1ccccc1C#N)c1ccc(Cl)c(Cl)c1 81811005 RXMRTJGGKWIFTN-SNVBAGLBSA-N 319.191 4.607 30 20 DJED Cc1ccc(C)c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 108240313 IQYDEEJOAXTWCT-AWEZNQCLSA-N 324.449 4.808 30 20 DJED CCC(=CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)CC 151722893 GKPFTIHVGYNTGW-LBPRGKRZSA-N 318.829 4.872 30 20 DJED CC[C@H]1CCCCCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 158131827 YNNGIQMKMDKLKG-KRWDZBQOSA-N 313.445 4.674 30 20 DJED C=CCCCC(=O)Nc1ccc(COCc2ccccc2)cc1 175833360 XJKCYBYCQCBXCK-UHFFFAOYSA-N 309.409 4.698 30 20 DJED CC(C)c1ccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)s1 184554566 WTEWLUOMMQOFDW-NSHDSACASA-N 310.378 4.503 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1cc2c(s1)CCCC2 247971600 DMXBOLSBQOMMRB-UHFFFAOYSA-N 317.479 4.517 30 20 DJED C=CCC[C@H](NCc1ccnc(SCC)c1)c1ccco1 287423910 KGOJINMYTOQOAO-HNNXBMFYSA-N 302.443 4.584 30 20 DJED N#Cc1ccc(N2CCC[C@@H]2c2nc3ccccc3s2)cc1 301058717 DIPMIRLTXWCEHT-MRXNPFEDSA-N 305.406 4.509 30 20 DJED C=CCCN[C@@H](c1ccccc1)c1ccc(Br)cc1 303917462 VFJFSNLEAZKQHT-KRWDZBQOSA-N 316.242 4.704 30 20 DJED CC(C)(C#N)CCCOc1ccc(Br)c(Cl)c1 313511943 SBZMOSYSTTZGOD-UHFFFAOYSA-N 316.626 4.811 30 20 DJED OC(=Nc1c[nH]nc1-c1ccccn1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 329158307 DLNPZNVIISLPPG-QLFBSQMISA-N 324.428 4.666 30 20 DJED C[C@H](CC(=O)N[C@@H](CCCC#N)c1ccccc1)C(C)(C)C 352193466 SOUQDRLHDAMBAL-WBVHZDCISA-N 300.446 4.610 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(C2CC2)cc1 357788465 LTZLEUXLQPGOKY-OAQYLSRUSA-N 302.421 4.603 30 20 DJED C[C@@H](N[C@H](CC(F)F)c1ccccc1)c1ccc(C#N)c(F)c1 421866494 ALOYWGHBCKDUNQ-SJKOYZFVSA-N 318.342 4.744 30 20 DJED COc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)c(Cl)c1 424266629 LEEOKWBKCAETQX-OLZOCXBDSA-N 314.816 4.632 30 20 DJED C=C(C)C(C)(C)C(=O)N(CC)Cc1cccc(-c2ccncc2)c1 424689051 ONUMWYFAVUUHQD-UHFFFAOYSA-N 322.452 4.699 30 20 DJED N#CCCCOc1cccc(CNc2ccc3ccoc3c2)c1 443005000 FGHCDMQEYNCWOE-UHFFFAOYSA-N 306.365 4.727 30 20 DJED CC(C)(C#N)CCCCN(CCc1cccc(F)c1)C1CC1 444648054 MGCHKUUVLIYGCO-UHFFFAOYSA-N 302.437 4.553 30 20 DJED CC1(C#N)CCC(NCC[C@H](c2ccccc2)C(F)(F)F)CC1 449340905 RADZXVXDSXCYGK-AQFXKWCLSA-N 324.390 4.785 30 20 DJED C=CCOc1ccc(Oc2ncnc3sc4c(c23)CCC4)cc1 462934067 YZLRAZFBHATVMU-UHFFFAOYSA-N 324.405 4.537 30 20 DJED CC[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1SCCC#N 475776271 SCALIZCLVNWDDU-LSDHHAIUSA-N 316.470 4.847 30 20 DJED N#CCCCN1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 483955704 OHJLAXXNIVGEEQ-IBGZPJMESA-N 310.828 4.743 30 20 DJED CC(C)CCN(C(=O)c1cc(C#N)ccc1Cl)C1CCCC1 508726668 WOZSPTAKVQOLMI-UHFFFAOYSA-N 318.848 4.643 30 20 DJED C[C@@H](OCCCNc1cccc(Cl)c1C#N)c1ccccc1 514518444 OHQNRUPNEYEXDQ-CQSZACIVSA-N 314.816 4.791 30 20 DJED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)cc1 519026418 JGDUZNMEZWBHQA-MRXNPFEDSA-N 318.376 4.645 30 20 DJED CC(C)Oc1c(Cl)cccc1NCc1cccc(C#N)c1 522839805 LFXDZURBDUDPBM-UHFFFAOYSA-N 300.789 4.611 30 20 DJED COc1ccc(CN(C)[C@@H](C)c2cc3ccccc3o2)cc1C#N 536115158 WSTBFRPZNYWYSW-AWEZNQCLSA-N 320.392 4.506 30 20 DJED C=CCC[C@@H](NCc1c(C)cc(C)nc1OC)c1ccccc1 558091347 BJGVKYKMEJEWDM-LJQANCHMSA-N 310.441 4.504 30 20 DJED N#CCC[C@@H](C#N)CN[C@H](CC1CCCCC1)c1ccccc1 580769450 QMZADNFLPXWFBD-AZUAARDMSA-N 309.457 4.731 30 20 DJED N#CCCCCCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 588691196 WENKXYXRVIAESL-AQNXPRMDSA-N 324.468 4.645 30 20 DJED N#Cc1ccccc1CSCc1coc(-c2cccc(F)c2)n1 603556389 URJVILGZZBJYTJ-UHFFFAOYSA-N 324.380 4.786 30 20 DJED C[C@@H]1C[C@@H]1[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 613254300 ADENOEBWAAHXGP-FRULXJFHSA-N 302.849 4.709 30 20 DJED C=CCN(C(=O)CCc1ccc([C@H]2C[C@@H]2C)o1)c1ccccc1 641897365 QRFRZVNTOCUNRD-YJBOKZPZSA-N 309.409 4.555 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1coc2ccccc12 685443600 REVMBPQXVVHNLC-UHFFFAOYSA-N 323.440 4.789 30 20 DJED COc1ccc2cc(C(=O)/C=C/c3cccnc3Cl)ccc2c1 726363204 IGXYEGMXCRVLTA-VQHVLOKHSA-N 323.779 4.793 30 20 DJED CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(F)cc1 726426202 RHUROFZJINIRQF-UHFFFAOYSA-N 321.277 4.552 30 20 DJED CCCCCC[C@@H](C)CC(=O)Nc1cc(C#N)ccc1OC 727666216 UQFBBGABQWWZMH-CQSZACIVSA-N 302.418 4.502 30 20 DJED CCCCCCCCC(=O)Nc1ccc(Cl)cc1NC(C)=O 729953696 MNWXEDPXNVMANU-UHFFFAOYSA-N 324.852 4.988 30 20 DJED Oc1ccc2ccccc2c1/C=N\C[C@@H]1CCOc2ccccc21 731156036 YUGLOPLVZOIPCJ-VOMLJKFNSA-N 317.388 4.531 30 20 DJED O=C1/C(=C/c2ccc3ncccc3c2)Cc2cc(Cl)ccc21 742437264 KRGXZKCLCFFQAY-OQLLNIDSSA-N 305.764 4.711 30 20 DJED CC(=NNc1c(C)cc(C)cc1C)c1c(C)nn(C(C)C)c1C 743445323 OZJYMELOFVPNRK-UHFFFAOYSA-N 312.461 4.842 30 20 DJED N#Cc1csc(/C=C\C(=O)c2ccc3c4c(cccc24)CC3)c1 748440179 JDJPDBABBMLSTB-CLFYSBASSA-N 315.397 4.768 30 20 DJED O=C(/C=C\c1cc(Br)ccc1F)c1ccsc1 749105518 UNTATBKVZZRZJD-RJRFIUFISA-N 311.175 4.546 30 20 DJED O=C(/C=C\c1cc2ccccc2o1)c1ccc(OC(F)F)cc1 750895457 HNOIBQKRPWDDPQ-KTKRTIGZSA-N 314.287 4.930 30 20 DJED C#CC[C@@H](NC(=O)Nc1cccc(C(F)F)c1)c1ccccc1 757878528 FDQGBYGEQKZBGW-MRXNPFEDSA-N 314.335 4.510 30 20 DJED C/C=C(/C=C/C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)CC 765456478 BPDUXQRIOVGLQL-AVDWVOFNSA-N 323.223 4.587 30 20 DJED CC(C)(C#N)CCCCOC(=O)c1cc2ccccc2s1 768521189 ZOGLKGWPAPSGAS-UHFFFAOYSA-N 301.411 4.778 30 20 DJED Cc1c(C(=O)/C=C\c2cn(C)nc2C(C)(C)C)oc2ccccc12 769608144 QEKUMHKYLKJZLI-KHPPLWFESA-N 322.408 4.668 30 20 DJED CCn1nc(/C=C\C(=O)c2ccc(Cl)cc2)c2ccccc21 769741937 HRPLGQNRBBFSMC-QXMHVHEDSA-N 310.784 4.606 30 20 DJED CCOc1cc(/C=C\C(=O)c2occc2C)cc(Cl)c1OC 769784010 MQDQXNYNIJMEIC-WAYWQWQTSA-N 320.772 4.545 30 20 DJED CC(C)Oc1ccc(NCc2cc(C#N)cs2)c(Cl)c1 780582707 JWAUAXQUVZFCJR-UHFFFAOYSA-N 306.818 4.672 30 20 DJED O=C1/C(=C\c2sccc2Cl)CCOc2ccc(F)cc21 782321589 BNBOMLLRIVHEHW-CLFYSBASSA-N 308.761 4.589 30 20 DJED C/C=C(\CC)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 789620886 LLQCCDRBRWWGEI-XGUMDULESA-N 304.393 4.637 30 20 DJED COc1cccc(/C=C2\C(=O)c3ccsc3S[C@H]2C)c1F 799891564 GJFZNQMBLZTMFB-RILYUOAZSA-N 320.410 4.656 30 20 DJED CC(Cc1ccc(O)cc1)=NOCc1ccc(C(F)(F)F)cc1 814882269 MCDPLBFLAOOEDM-UHFFFAOYSA-N 323.314 4.546 30 20 DJED O=C(c1sccc1Cl)N(O)Cc1cccc2ccccc12 900091533 AEAUHIJAXCEZKG-UHFFFAOYSA-N 317.797 4.586 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1ccnc2ccccc12 905071368 FWXAZJPYXFANGP-MDZDMXLPSA-N 319.408 4.525 30 20 DJED Cc1ccc(C)c(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 916155981 UDTWASYTYKTJOV-SOFGYWHQSA-N 315.756 4.761 30 20 DJED CC(C)c1ccc(SCC(=O)[C@@H](C#N)c2ccccc2)cc1 917137297 ZURKKQJMWSYIEG-SFHVURJKSA-N 309.434 4.779 30 20 DJED O=C(/C=C/c1csc([N+](=O)[O-])c1)c1cccc2ccccc12 917143119 CAAHKHYKCDVTBO-CMDGGOBGSA-N 309.346 4.706 30 20 DJED CCOc1cccc(C=Nc2ccc(O[C@H](C)CC)cc2)c1O 920175326 VIMPKRKOFVMILN-CQSZACIVSA-N 313.397 4.719 30 20 DJED CC(C)[C@H](C)C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@H](C)CC2 1129355763 LHTSXJFDHKLDAO-GRYCIOLGSA-N 304.459 4.536 30 20 DJED CC1(C)CC(C(=O)Nc2cc(C#N)c(F)cc2F)CC(C)(C)C1 1132470011 AFXZYVCBRIGKPO-UHFFFAOYSA-N 320.383 4.627 30 20 DJED CCc1ccc([C@H]2C[C@@H](C)CCN2Cc2ccc(CC#N)cc2)o1 1167508313 GENXMFBNCRIKCR-OXJNMPFZSA-N 322.452 4.881 30 20 DJED CC(C)Cc1ccc([C@@H](NCc2cc(C#N)ccn2)C(C)C)cc1 1167727764 FUCFZVXIXJFJCU-NRFANRHFSA-N 321.468 4.639 30 20 DJED CC(C)(CC(=O)Nc1ccc(OCC#N)cc1)C1CCCCC1 1256325138 VDCUAGGFQNZZQI-UHFFFAOYSA-N 314.429 4.524 30 20 DJED CC(C)(C)c1ccc(NC(=O)Nc2ccc(OCC#N)cc2)cc1 1318526623 BJKDEGGJDDHBOQ-UHFFFAOYSA-N 323.396 4.530 30 20 DJED CC(C)(C#N)CCCSCc1cn2cc(Cl)ccc2n1 1319377308 MQQYCMRZMCZXMX-UHFFFAOYSA-N 307.850 4.551 30 20 DJED CC(C)c1ccc(CN(c2cccc(F)c2C#N)C2CC2)cc1 1458075880 ZYZSAYSSXHTLIH-UHFFFAOYSA-N 308.400 4.990 30 20 DJED C[C@@H]1CC(C)(C)CC[C@H]1Nc1c(Br)cccc1C#N 1458227394 DQDJYLGAUFEALK-BXUZGUMPSA-N 321.262 4.947 30 20 DJED C[C@H](N(C)Cc1ccc(-c2ccccc2C#N)cc1)C1(C)CC1 1459625379 DNDIUCVAYYASRD-INIZCTEOSA-N 304.437 4.846 30 20 DJED C[C@@H]1CCCC[C@@H]1CC(=O)N(c1ccccc1C#N)C1CCC1 1461560403 SFPNMMDCIXLPQF-HZPDHXFCSA-N 310.441 4.660 30 20 DJED CC1(C)CCCN(Cc2c(Cl)oc3ccccc23)[C@@H]1C#N 1473449660 SSXYRKYNVOYPBH-OAHLLOKOSA-N 302.805 4.600 30 20 DJED CCCC[C@H](CC)CC(=O)N[C@H]1CCCc2cc(C#N)ccc21 1529288057 YCMMPFMKDVGDHL-KXBFYZLASA-N 312.457 4.658 30 20 DJED CCCN(C(=O)CC1(C#N)CCCCC1)c1ccc(CC)cc1 1543730711 VTCJMRGWGJMSPV-UHFFFAOYSA-N 312.457 4.856 30 20 DJED CC[C@@H]1CN(Cc2cccc(F)c2C#N)CC[C@H]1c1ccccc1 1560646920 LGUIVHCGDLCRQA-VQIMIIECSA-N 322.427 4.713 30 20 DJED N#Cc1nc(N[C@@H](CC2CCC2)c2ccccc2)ccc1Cl 1650924675 LJDMWZSTFXEXTF-INIZCTEOSA-N 311.816 4.950 30 20 DJED Cc1ccc(C(=O)[C@@H](C)Sc2ccc(C#N)c(C)c2)cc1C 1652058261 GXWOQUQJTISNRN-OAHLLOKOSA-N 309.434 4.847 30 20 DJED Cc1ccccc1-c1ccccc1CN(C[C@@H](C)C#N)C1CC1 1663826698 MIOOAAIZLOEGSS-INIZCTEOSA-N 304.437 4.786 30 20 DJED CCCOc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)c(C)c1 1665057942 WHHBMARWMHEFIT-KRWDZBQOSA-N 322.452 4.849 30 20 DJED O=C(O)c1cccc(NN=C2CCC[C@H](C3CCCCC3)C2)c1 1776038377 HPTUMYQLVNDFKT-HNNXBMFYSA-N 314.429 4.923 30 20 DJED CCCCc1ccc(C(=O)/C=C/c2csc(C(=O)O)c2)cc1 1776805879 RZMYEQGEEYXDLQ-JXMROGBWSA-N 314.406 4.685 30 20 DJED N#Cc1cccc(N[C@H]2CCSc3ccc(Cl)cc32)c1 37203243 RCRLXFRBSIZSPA-HNNXBMFYSA-N 300.814 4.861 30 20 DJED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccoc3C)n2)cc1 41513062 GMOCRAVIEQKAPI-HNNXBMFYSA-N 322.389 4.510 30 20 DJED C=C(C)COc1cccc(NC(=O)c2sccc2C2CC2)c1 66727022 HLDNDSOEENDHFX-UHFFFAOYSA-N 313.422 4.833 30 20 DJED Cc1ccc(/C=C\C(=O)c2cccc(Br)c2)s1 96551553 SVNVAUUVHGGCCE-FPLPWBNLSA-N 307.212 4.715 30 20 DJED O=C(/C=C\c1cccc(F)c1)c1ccc(Br)s1 97552366 YDRHAEBNBICMKL-PLNGDYQASA-N 311.175 4.546 30 20 DJED C=C[C@H](CC(=O)N1CCC[C@H]1c1ccccc1)c1ccccc1 127238762 PPHNCHRUZOYBFI-XLIONFOSSA-N 305.421 4.710 30 20 DJED C[C@@H]1C[C@H]1c1ccc(CN(CCCC(C)(C)C#N)C2CC2)o1 174819668 ZVUSMHWZZPHPQN-RHSMWYFYSA-N 300.446 4.697 30 20 DJED CCCOc1ccc(CN[C@@H](C)c2cccc(C#N)c2)c(C)c1 191029127 ZCRZAGCWUHSSTF-INIZCTEOSA-N 308.425 4.506 30 20 DJED CC[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(Cl)s1 273520423 QMRBKSOCSGVNDK-ZDUSSCGKSA-N 308.809 4.653 30 20 DJED OC(=Nc1c[nH]nc1-c1ccccn1)[C@@H]1CCC[C@H]2CCCC[C@H]21 329158308 DLNPZNVIISLPPG-RBSFLKMASA-N 324.428 4.666 30 20 DJED Cc1nc2cc(/C(O)=N/C[C@H]3CCCCC(F)(F)C3)ccc2o1 329163526 GIECMBUAULBSDX-LBPRGKRZSA-N 322.355 4.656 30 20 DJED C[C@H]1CCC[C@H](C(O)=Nc2csc(-c3ccccn3)n2)C1 329532269 JVTSQKPAOMLULA-RYUDHWBXSA-N 301.415 4.619 30 20 DJED Cc1cc(C)cc(-c2ccc(CN(CCC#N)CCC#N)cc2)c1 354194222 PCJSVMMYRDOYDG-UHFFFAOYSA-N 317.436 4.600 30 20 DJED Cc1nc(-c2cc([C@H](C)N[C@@H]3CC[C@H](C#N)C3)cs2)cs1 424333911 UUHMNLNCLUSAHT-VHRBIJSZSA-N 317.483 4.523 30 20 DJED C=C(C)C(C)(C)C(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 424824728 JQZQHQAXQMFGLC-OAHLLOKOSA-N 324.424 4.653 30 20 DJED C=C(C)C(C)(C)C(=O)N(C)c1nc2cc(Cl)ccc2s1 425568863 JTQDWQAYXRBXTF-UHFFFAOYSA-N 308.834 4.515 30 20 DJED CC(C)(C#N)CCCN1CC=C(c2ccc(Cl)cc2)CC1 434907331 WZOVDPNLQVYVIB-UHFFFAOYSA-N 302.849 4.759 30 20 DJED CC(C)Oc1ccc(-c2nc(-c3ccc(C#N)cc3)cs2)cn1 446144466 LXDZGDSLNXRZEQ-UHFFFAOYSA-N 321.405 4.531 30 20 DJED CC(C)(CN[C@@H]1CCC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 463280972 FMJKCHHBMWQCPM-XJKSGUPXSA-N 324.390 4.655 30 20 DJED C=CCCCCCN(C)C(=O)c1cncc(-c2ccccc2)c1 466240797 FKTRYCINZBTKHT-UHFFFAOYSA-N 308.425 4.567 30 20 DJED C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 488882449 PBAQHLLKZLYHCV-NSISKUIASA-N 305.421 4.510 30 20 DJED C=CCN(C)C(=O)c1cc(C)c(-c2cccc(Cl)c2)s1 490057029 SECBTEAVRJHAME-UHFFFAOYSA-N 305.830 4.635 30 20 DJED CCC[C@@H](Nc1ncccc1C#N)c1cccc(C(F)(F)F)c1 498943274 OGONVLWMXZZVEC-OAHLLOKOSA-N 319.330 4.925 30 20 DJED C=C(C)CN(C)Cc1cn(-c2ccccc2)nc1-c1cccs1 510954203 WAEDWIRWOFLIDG-UHFFFAOYSA-N 323.465 4.609 30 20 DJED C=C(CNC(=O)N1CCCCC[C@H]1c1ccco1)c1ccccc1 512659036 CCDJFGPUYCFNCM-SFHVURJKSA-N 324.424 4.620 30 20 DJED C=C(C)CN(CC)C(=O)N[C@H](c1cccs1)C(CC)CC 515816201 GSLLBJXYUZJBEO-INIZCTEOSA-N 308.491 4.833 30 20 DJED N#Cc1cccc(CNc2ccccc2N2CCCCCC2)c1F 537110476 CIYRKACEZBZLDE-UHFFFAOYSA-N 323.415 4.690 30 20 DJED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cccc(Cl)c1 552970672 ZBYQXZPGVTWEMF-YJYMSZOUSA-N 310.828 4.940 30 20 DJED CC(C)(C)C1CCC(C#N)(NC(=O)c2ccsc2Cl)CC1 597519679 RTCICQOUECZGJJ-UHFFFAOYSA-N 324.877 4.630 30 20 DJED C=CCCCN(C)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl 605645007 KZGLGLHNUWBYIU-OLZOCXBDSA-N 312.240 4.522 30 20 DJED C=CCN(CC=C)C(=O)C[C@H](Cc1ccccc1)c1ccccc1 607780845 WURRIUDXGBVEQJ-NRFANRHFSA-N 319.448 4.604 30 20 DJED N#Cc1ccc(NC(=O)N(C2CCCCC2)C2CC2)c(Cl)c1 610877479 SNTUMWUYAKXZSE-UHFFFAOYSA-N 317.820 4.541 30 20 DJED CCS[C@@H]1CCC[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1 611394040 ZCWYTWODECEMCI-YQVWRLOYSA-N 314.498 4.590 30 20 DJED COc1cccc(NN=C(C)c2ccc(Cl)cc2Cl)c1 725853033 CIUHENMIMGUEBB-UHFFFAOYSA-N 309.196 4.838 30 20 DJED C=CCCOC(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1 730398831 OVGMKACDWKEVRK-KRWDZBQOSA-N 316.397 4.778 30 20 DJED N#Cc1cccc(C(=O)/C=C/c2cc(C(F)(F)F)ccc2F)c1 733206295 GEQFWDWBQFPIBR-QPJJXVBHSA-N 319.257 4.612 30 20 DJED COCCC(=NNc1cccc2ccccc12)c1ccc(F)cc1 734748376 OHFRBXJZAQTKII-UHFFFAOYSA-N 322.383 4.832 30 20 DJED CC(C)CN(CCC#N)C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 737818393 GWKGVAFNIQOZLT-QGZVFWFLSA-N 314.473 4.702 30 20 DJED CSc1ccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2C)cc1 739425138 NCWJZWOIZVDJSB-POHAHGRESA-N 313.378 4.521 30 20 DJED N#Cc1ccc2c(c1)CC/C(=C\c1cc3cc(F)ccc3o1)C2=O 742437149 IYGJTCBVJANFDX-NTEUORMPSA-N 317.319 4.656 30 20 DJED CC(C)Oc1c(F)cc(N[C@H](C)c2cccc(C#N)c2)cc1F 753736817 GLMDOIOAKCGEST-GFCCVEGCSA-N 316.351 4.797 30 20 DJED N#CCOc1cccc(NCc2csc(Cl)c2Cl)c1 763160141 ARFNFAGNBGTBFX-UHFFFAOYSA-N 313.209 4.569 30 20 DJED CC(CCc1ccsc1)=NNc1ncc(Cl)cc1Cl 764896444 ODYIGYLMQQDQFQ-UHFFFAOYSA-N 314.241 4.871 30 20 DJED CCCCCC(C)(C)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 767967093 CAOXIJVWHGGCJM-UHFFFAOYSA-N 324.468 4.780 30 20 DJED Cc1ccc(-c2nc(/C=C\C(=O)c3occc3C)cs2)cc1 769783408 DSXXCJKHTRHUOM-FPLPWBNLSA-N 309.390 4.916 30 20 DJED C#CC[C@H](N[C@@H](C)c1ccc(F)cc1Cl)c1ccccc1 773113320 DBMMDFFYIJIUFV-UGSOOPFHSA-N 301.792 4.894 30 20 DJED C[C@H](C#N)CSc1ccccc1NCc1ccc2c(c1)COC2 777932880 CPKFDDFIUSXEEF-CQSZACIVSA-N 324.449 4.581 30 20 DJED CC(=NNc1nncc2ccccc12)c1cc2ccccc2s1 780188149 GUHPWCFISJQNTE-UHFFFAOYSA-N 318.405 4.681 30 20 DJED Cc1c(C(=O)/C=C\c2ccc(Cl)s2)cnn1C(C)(C)C 787186848 OJUMMSFWVXJQLF-ALCCZGGFSA-N 308.834 4.558 30 20 DJED Fc1cccc(Cl)c1NN=C1CCC[C@H]1c1ccccn1 794931583 XVCZUPVKGUTAAT-NSHDSACASA-N 303.768 4.610 30 20 DJED CC(C)n1nccc1/C=C1/CCc2c(sc3ccccc23)C1=O 794941481 PERBTVXSNSHMSA-QBFSEMIESA-N 322.433 4.891 30 20 DJED C=CCC[C@H](NCc1ccc(N(CC)CC)cc1)c1ccco1 796694229 KGHHPPZOZVDFEG-IBGZPJMESA-N 312.457 4.923 30 20 DJED C#CCCCCC(=O)Nc1cc(C)ccc1OCc1ccccc1 799503769 QBAQOGUTULYOSO-UHFFFAOYSA-N 321.420 4.706 30 20 DJED COc1ccc2nc(/C=C3/C(=O)c4ccccc4[C@H]3C)sc2c1 809155930 HZMCEHCOWJOWQI-HGLKBHAMSA-N 321.401 4.688 30 20 DJED Cc1cc2ccccc2nc1NN=C1CCC[C@H]1C(C)(C)C#N 814896359 UUQHDZLYHISDIA-OAHLLOKOSA-N 306.413 4.661 30 20 DJED Cc1ccc(N(CCCC2(C#N)CCOCC2)CC(C)C)cc1 832360392 PDIAGOTWUZXMJK-UHFFFAOYSA-N 314.473 4.558 30 20 DJED CC(C)=CCC[C@H](C)CC(=O)Nc1ccccc1O[C@@H](C)C#N 843575621 QTCTWXRQXGSCRI-HOTGVXAUSA-N 314.429 4.689 30 20 DJED CC(=NNc1cc(F)cc(Cl)c1)c1c(C)nn(C(C)C)c1C 853397187 XULNTSDXJYCYLG-UHFFFAOYSA-N 322.815 4.709 30 20 DJED CCCCCCCCC(=O)Nc1cnc2c(cnn2C(C)C)c1 889278647 OIIJKJIGBDWXPK-UHFFFAOYSA-N 316.449 4.701 30 20 DJED C=CCN(C(=O)c1ccc(C2SCCCS2)cc1)C(C)C 914682808 IXURPRRYGKKIJQ-UHFFFAOYSA-N 321.511 4.592 30 20 DJED CCOc1ccccc1C=NNCc1ccc(Cl)cc1Cl 914696866 SCFPIBBQUWBCGS-UHFFFAOYSA-N 323.223 4.516 30 20 DJED CCCCCCCC(=O)Nc1ccc(NC(=O)OCC)cc1 916069092 BFWAMITYACYPMY-UHFFFAOYSA-N 306.406 4.554 30 20 DJED CCCCCCCC(=O)Nc1nc(-c2ccccc2)ns1 917684817 MPGNQJJNSFJHNJ-UHFFFAOYSA-N 303.431 4.504 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)/C=C\c1ccco1 917714089 UIBWHHQOLRYHHV-HJWRWDBZSA-N 320.373 4.532 30 20 DJED CC1(C)CC[C@@H](NC(=O)CC2(C#N)CCCCC2)c2ccccc21 1125525836 VRLGDAKNYVMXFJ-GOSISDBHSA-N 324.468 4.779 30 20 DJED C[C@H](C#N)OCCN(C1CC1)[C@@H]1CCCC[C@H]1C1CCCCC1 1167549642 PDPYCWGAZHZHNQ-LSTHTHJFSA-N 318.505 4.519 30 20 DJED N#Cc1cccc(Br)c1NC1CCCCCCC1 1184589673 LMEMHSWVHPKGTA-UHFFFAOYSA-N 307.235 4.846 30 20 DJED C[C@@H](Nc1cccc(C#N)n1)[C@H](C)c1ccccc1C(F)(F)F 1185828207 STRZIPYZQVWMET-NWDGAFQWSA-N 319.330 4.576 30 20 DJED Cc1cc(CSc2ccc(C#N)cc2)ccc1Br 1188649664 AYOVYKPEJMQZAP-UHFFFAOYSA-N 318.239 4.922 30 20 DJED N#Cc1cc(Cl)ccc1CSc1nc2cnccc2s1 1189729187 OEIDFHVFIUSCIT-UHFFFAOYSA-N 317.826 4.509 30 20 DJED N#Cc1c(F)cccc1N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 1307101274 TXUPKOIGXCDBEE-IAGOWNOFSA-N 304.368 4.522 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)c1nc2cccc(F)c2s1 1307146489 IOJPRQGIVZIMBZ-LLVKDONJSA-N 311.385 4.504 30 20 DJED N#Cc1csc(CNCC2(c3ccccc3)CCCCC2)c1 1308195493 HXAJMQAUPITDFC-UHFFFAOYSA-N 310.466 4.611 30 20 DJED CC(C)c1ccc2c(c1)[C@@H](Nc1cccc(CC#N)n1)CCC2 1320363731 IRAZHRYAJOUFBM-IBGZPJMESA-N 305.425 4.761 30 20 DJED CSc1ccccc1[C@@H](C)NCc1ccc(C#N)c(Cl)c1 1321729199 LGXXRADZSYHFOF-GFCCVEGCSA-N 316.857 4.784 30 20 DJED C[C@@H](Nc1nc(Cl)c(C#N)s1)c1ccc(Cl)c(F)c1 1322546507 RBBMALFIUAPPTE-ZCFIWIBFSA-N 316.188 4.634 30 20 DJED CCCC[C@H](C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1)C(C)C 1350597237 WNWNHBNNFVMXTL-LPHOPBHVSA-N 314.473 4.930 30 20 DJED Cc1cc(Nc2nc(C#N)c(Cl)s2)ccc1OC(C)C 1458196313 CZPLNPWOIGCFOG-UHFFFAOYSA-N 307.806 4.507 30 20 DJED N#Cc1cc(CN2CCCCC[C@@H]2c2ccccc2)ccc1F 1459392658 OOIQQJKFHYVMQU-HXUWFJFHSA-N 308.400 4.815 30 20 DJED Cc1oc(-c2ccccc2)cc1C(=O)Nc1cccc(CC#N)c1 1460140901 CGYCWGNWAWOOLF-UHFFFAOYSA-N 316.360 4.573 30 20 DJED Cc1nc(N[C@H](c2ccccc2)C2CCC2)c(Cl)cc1C#N 1472688253 VVRKGEXIDLWJRK-QGZVFWFLSA-N 311.816 4.868 30 20 DJED CCN(C(=O)c1coc2ccc(Cl)cc12)c1ccc(C#N)cc1 1523019291 JHPFAQPKXDIJJG-UHFFFAOYSA-N 324.767 4.625 30 20 DJED C[C@@H]1C[C@@H](OC(=O)c2cc3ccccc3n2CC#N)CC(C)(C)C1 1533843593 JSIBKTQBKODROW-GDBMZVCRSA-N 324.424 4.536 30 20 DJED N#CCc1cccc(NCc2ccc(SC(F)F)cc2)c1 1560476109 YXLBUZVNDRNANB-UHFFFAOYSA-N 304.365 4.679 30 20 DJED N#Cc1nc(N2CCCC3(CCCCC3)CC2)sc1Cl 1612258403 LJHNDEYBZIKKSM-UHFFFAOYSA-N 309.866 4.609 30 20 DJED CC1(C)C[C@@H](c2ccccc2)N(c2ccc(Cl)c(C#N)n2)C1 1612519496 PWORIWDXLHOOGC-INIZCTEOSA-N 311.816 4.584 30 20 DJED CC1CC(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 1615913783 AKSAIPBRCRBVNP-UHFFFAOYSA-N 322.427 4.746 30 20 DJED N#Cc1cc(N(CC2CCCCC2)CC2CCCCC2)ccn1 1639689222 DKAJKXKLEJPESF-UHFFFAOYSA-N 311.473 4.920 30 20 DJED Cc1cccc(-n2ccnc2SCc2ccc(CC#N)cc2)c1 1640732371 ZTRGPQJMFQZJIO-UHFFFAOYSA-N 319.433 4.539 30 20 DJED C[C@H](c1ccc(Cl)cc1)N(CCc1ccc(C#N)cc1)C1CC1 1657580328 NLKYMWJVBIGJQK-OAHLLOKOSA-N 324.855 4.980 30 20 DJED CCCN(Cc1ccc(C#N)cc1)Cc1cc(Cl)cs1 1659119989 XYSHJCDVIVXVMN-UHFFFAOYSA-N 304.846 4.685 30 20 DJED Cc1ccccc1/C=C1\S/C(=N\c2c(C)cccc2C)NC1=O 7165067 XWUZZUQRFKYEJJ-WJDWOHSUSA-N 322.433 4.503 30 20 DJED CCCOc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC 83203962 MGTLZPOOMGLFFQ-YRNVUSSQSA-N 310.393 4.689 30 20 DJED Cc1ccc(NCC(C)(C)CCC#N)c(OCC(F)(F)F)c1 92158183 MSDBOQVPNPUEDI-UHFFFAOYSA-N 314.351 4.678 30 20 DJED C=C[C@@H](CC(=O)Nc1ccc(-c2ncco2)cc1)c1ccccc1 153076743 VNFIPZNCMCWKOF-HNNXBMFYSA-N 318.376 4.640 30 20 DJED COc1ccc(CN(CCCC(C)(C)C#N)[C@H](C)C2CC2)cc1 174832394 ZOSRGBUFHITWNA-MRXNPFEDSA-N 314.473 4.626 30 20 DJED CC(NCc1cc(C#N)cs1)(c1ccccc1)c1ccccc1 177696152 FONJOANNGHHRSE-UHFFFAOYSA-N 318.445 4.673 30 20 DJED Cc1cnc(CSCc2ccccc2C(C)(C)C#N)s1 180003399 PZPIJEDDARMNKI-UHFFFAOYSA-N 302.468 4.686 30 20 DJED COc1ccc(/C=C\C(=O)c2cc(Cl)sc2Cl)cc1 205687724 SCFSBYGXFVIDMF-DAXSKMNVSA-N 313.205 4.960 30 20 DJED Clc1ccc(C=NOCc2ncc(-c3cccs3)o2)cc1 255115281 OFHUMTZZVHPUHC-UHFFFAOYSA-N 318.785 4.607 30 20 DJED Cc1ccoc1C(=O)/C=C\c1cnc(-c2cccs2)s1 255175773 BPOSDKIKAAFOTC-PLNGDYQASA-N 301.392 4.669 30 20 DJED C[C@@H](NCCCC1(C#N)CCOCC1)c1cccc2ccccc12 282043663 RDEXOWVBZMTPGT-QGZVFWFLSA-N 322.452 4.591 30 20 DJED N#CCOc1cccc(NCc2ccc(-c3ccc(F)cc3)o2)c1 325115275 LVYXLLPMDFLXOF-UHFFFAOYSA-N 322.339 4.600 30 20 DJED Cc1nc(SCCCC#N)n([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 351868960 ORSPRBKLYCKJAE-LTIDMASMSA-N 317.502 4.893 30 20 DJED CC(C)Oc1ccc([C@@H](C)Nc2ccc(OCC#N)cc2)cc1 390320368 ATCMPRYGIHTACB-OAHLLOKOSA-N 310.397 4.549 30 20 DJED CCCC[C@H](C)C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 409992676 NSLZYQIIKQZSOV-GXFFZTMASA-N 313.228 4.501 30 20 DJED CC(C)N(C(=O)[C@@H](C)c1cccc(C#N)c1)[C@@H](C)c1ccccc1 410894188 UCYYGMSTGZDICD-IRXDYDNUSA-N 320.436 4.660 30 20 DJED N#Cc1cc(NCc2ccc(F)c3cccnc23)ccc1Cl 432412425 GNHIRVFXTRKOTK-UHFFFAOYSA-N 311.747 4.511 30 20 DJED CC(C)CN(C(=O)c1cc(C#N)cs1)c1cccc(Cl)c1 456805948 WUUIYPRDJWRGDH-UHFFFAOYSA-N 318.829 4.576 30 20 DJED CC(C)(C)c1ccc(C(=O)N(CC#N)C2CCCC2)cc1Cl 464049053 IXKUYJINRUHFBW-UHFFFAOYSA-N 318.848 4.546 30 20 DJED C=CCCN(C)C(=O)Nc1ccccc1Oc1cccc(C)c1 466379507 YPBXBBNPQGALHG-UHFFFAOYSA-N 310.397 4.827 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCCC1(C)C 476510378 CXZLAHNRLDBLTE-ZIAGYGMSSA-N 316.470 4.846 30 20 DJED C[C@H](Sc1ccc(C#N)cn1)c1ccc(C(F)(F)F)cc1 476585532 XKVGOUDUIFUFES-JTQLQIEISA-N 308.328 4.825 30 20 DJED C=CCCC1(C(=O)N2CC=C(c3ccc(CC)cc3)CC2)CC1 476592164 DTXCAPHDCPYVPN-UHFFFAOYSA-N 309.453 4.611 30 20 DJED COCCCC[C@@H](Nc1cccc(F)c1C#N)c1ccccc1 480579731 LLWSWWCSXGFYFS-GOSISDBHSA-N 312.388 4.667 30 20 DJED C=CCSc1ccccc1C(=O)NCc1ccc(C)cc1C 485465452 NNTZMLZAGAUOIB-UHFFFAOYSA-N 311.450 4.512 30 20 DJED N#Cc1ccc2c(c1)[C@@H](NCc1c(Cl)cccc1Cl)CC2 573611240 UCAQHCNQVJXXDL-KRWDZBQOSA-N 317.219 4.642 30 20 DJED C=C[C@@](C)(CC)c1nc(Cc2c[nH]c3cc(Cl)ccc23)no1 575904637 IITVENVSCOFVPE-KRWDZBQOSA-N 315.804 4.649 30 20 DJED C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCC[C@H]1CCCC 590175412 VSMFCCHRYJAYIE-NVXWUHKLSA-N 320.502 4.805 30 20 DJED CC[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 610140785 QFBOZXMOZALMOF-RHSMWYFYSA-N 313.445 4.578 30 20 DJED COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@H](C)c1cccc(C#N)c1 616092255 WZEDPQRZOJIAJW-VLIAUNLRSA-N 320.436 4.640 30 20 DJED CCCCCCCOC(=O)Cc1nc(-c2ccsc2)oc1C 727021332 NJONHZQMFTXHHP-UHFFFAOYSA-N 321.442 4.768 30 20 DJED C#Cc1ccc(C(=O)Nc2ccc(SC(C)(C)C)cc2C)cn1 728821972 KSSYYBGLPYFILW-UHFFFAOYSA-N 324.449 4.514 30 20 DJED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCCC(C)(C)C 729067847 ROKZOBHEZJPVNS-HNNXBMFYSA-N 324.424 4.584 30 20 DJED C=CCc1ccc(OC(=O)c2cccc(C(F)F)c2)c(OC)c1 729168720 GLHHPWRZHXUFGM-UHFFFAOYSA-N 318.319 4.581 30 20 DJED C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1csc2ccccc12 729987329 XKABPRPJSKOYQW-LLVKDONJSA-N 323.377 4.854 30 20 DJED C=C(Cl)CNC(=O)Nc1ccc(-c2ccccc2)cc1C 736956697 VZRRBKVFTMOUNW-UHFFFAOYSA-N 300.789 4.536 30 20 DJED Cc1cc(C)cc(C(=O)/C=C\c2cnc3ccc(Cl)cn23)c1 737444090 OJIJEXKKJDXYKW-PLNGDYQASA-N 310.784 4.501 30 20 DJED O=C(/C=C/c1cnc2ccccn12)c1cc(Cl)ccc1Cl 740764458 WCDIHLNNXXIFJJ-FNORWQNLSA-N 317.175 4.537 30 20 DJED Cc1cc(C(=O)/C=C/c2ccc(O)c(Cl)c2)cc(C)c1F 741467883 RCFRAAFQKPGLPS-HWKANZROSA-N 304.748 4.698 30 20 DJED N#Cc1ccccc1CNc1ccc(OC2CCCC2)c(F)c1 742263481 OXMWNXTZUKQWCT-UHFFFAOYSA-N 310.372 4.631 30 20 DJED Fc1ccc(C=NOCc2csc(C3CCCCC3)n2)cc1 744180156 NEFHNZQTGYJIOT-UHFFFAOYSA-N 318.417 4.881 30 20 DJED CCC(=NOCc1cccnc1)c1ccc2cc(OC)ccc2c1 746587123 FEYWHIMOAAXPTP-UHFFFAOYSA-N 320.392 4.574 30 20 DJED COc1cc(C)c([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1C 753661011 BUTPBDQGMWLFGD-JKSUJKDBSA-N 308.425 4.596 30 20 DJED CCc1nc(C=NN=C2c3ccccc3-c3ccccc32)cs1 755614096 XBJIGBBXWHPCCS-UHFFFAOYSA-N 317.417 4.557 30 20 DJED C=C[C@@H](CC(=O)N[C@@H](CC)c1ccccc1OC)c1ccccc1 758401900 LORLHIIYPYKUJE-LPHOPBHVSA-N 323.436 4.622 30 20 DJED C=C[C@@H](CC(=O)O[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 759419527 LJRVKQBUHPVFFX-RDJZCZTQSA-N 305.377 4.522 30 20 DJED CC(C)[C@@H]1/C(=C\c2cccc(OCC#N)c2)C(=O)c2ccccc21 766506775 QYVGBVTTYIUHJA-ACSPXDACSA-N 317.388 4.608 30 20 DJED O=C(/C=C\c1ccccc1F)c1ccc(Br)cc1F 767736121 OXOGBPYZRPDDLT-YVMONPNESA-N 323.136 4.623 30 20 DJED CCCCCCCCCN(C)C(=O)N[C@H](C)c1cnccc1C 771438232 FKGQWGCIVIRAOG-QGZVFWFLSA-N 319.493 4.843 30 20 DJED C[C@H](NCc1ccc(SC(F)F)cc1)c1ccc(C#N)cc1 775160586 HHXMXGJHDPNPJW-LBPRGKRZSA-N 318.392 4.724 30 20 DJED CCCCC[C@@H](CC)C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 776090453 KJNKXVBGDSJDKP-CABCVRRESA-N 311.429 4.654 30 20 DJED CC(=NOCCC(F)(F)F)c1ccc(SC(C)C)cc1 777459520 RNOBHJWTUBQBAU-UHFFFAOYSA-N 305.365 4.880 30 20 DJED CC[C@@H](C)CCCCC(=O)Nc1ccccc1O[C@@H](C)C#N 784101297 LKKUIVHTPOZHTJ-CABCVRRESA-N 302.418 4.522 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N1CC[C@H](OC)C[C@H]1C 799423503 ZAWGMVMYRMJNDD-KSZLIROESA-N 311.510 4.789 30 20 DJED CCCCCCOCc1cccc(N[C@H]2CC[C@H](C#N)C2)c1 799721644 PFUHPUZIRKBUJY-LPHOPBHVSA-N 300.446 4.888 30 20 DJED C[C@@H]1/C(=C/c2ccc(OC(F)F)cc2)C(=O)c2ccccc21 809159826 XKQBQYYYBYENFN-OKHBPPCESA-N 300.304 4.671 30 20 DJED CC(=C/c1ccccc1OC(F)F)/C=C/C(=O)c1cncs1 811692125 VDYBHTDNFWPUSC-VEQVDCDKSA-N 321.348 4.587 30 20 DJED CCCCCCCCC[C@H](C)CC(=O)N1CCC[C@@H](O)CC1 819318823 UXPBAENJDUMVRY-ZWKOTPCHSA-N 311.510 4.527 30 20 DJED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)C3CCC3)n2)cc1 838789746 WSSUKBZZWWSFAH-CJNGLKHVSA-N 324.449 4.731 30 20 DJED Cc1ccc2c(c1)C/C(=C\c1ccc(Br)s1)C2=O 921263691 IWYMIEWPQYGIOC-DHZHZOJOSA-N 319.223 4.641 30 20 DJED CC1(C#N)CCC(NCCc2ccc(Cl)c(Cl)c2)CC1 1173584576 AWYDABWAMCWPHX-UHFFFAOYSA-N 311.256 4.598 30 20 DJED N#Cc1cnc(N2CCCCC[C@@H]2/C=C/c2ccccc2)c(F)c1 1186060905 CHTXCJALQJIBIB-DOJUMQAQSA-N 321.399 4.555 30 20 DJED CCN(Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCCC[C@@H]1C 1193413391 NJEDSUMLXVIHIG-BBRMVZONSA-N 322.399 4.560 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CCCCC1(C)C 1264802389 ZGTOOOCSVLIJKR-OAHLLOKOSA-N 314.429 4.500 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)c1nc2cccc(F)c2s1 1307146491 IOJPRQGIVZIMBZ-NSHDSACASA-N 311.385 4.504 30 20 DJED N#Cc1cccc(C(=O)N[C@H](c2ccccc2)C2CCCCC2)c1 1356411359 BETWGPYIRLBRDC-HXUWFJFHSA-N 318.420 4.610 30 20 DJED CC[C@H](CC(C)C)C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 1357262888 AZZBIULTQKLCSV-DOTOQJQBSA-N 300.446 4.540 30 20 DJED CC[C@@](C)(C#N)C(=O)Nc1ccc(CCCc2ccccc2)cc1 1360567633 OOJGXYKXPVHSLE-NRFANRHFSA-N 320.436 4.740 30 20 DJED N#Cc1cc(Cl)cc(OC/C=C\c2ccc(Cl)cc2)c1 1459125071 ISYIRYKPWNSDBS-UPHRSURJSA-N 304.176 4.957 30 20 DJED Cc1ccc(Oc2ccccc2CCN[C@H]2CC[C@H](C#N)C2)cc1 1462342388 NONQGBYXZZWONR-HKUYNNGSSA-N 320.436 4.612 30 20 DJED C=CCC[C@H]1CCCN1C(=O)Nc1ccc(COC(C)C)cc1 1526781252 BSEVIXOINJSQBO-SFHVURJKSA-N 316.445 4.574 30 20 DJED CCc1cc(C#N)c(NC(=O)C2CC(C)(C)CC(C)(C)C2)s1 1527843971 SPZIQGMRGJDWLX-UHFFFAOYSA-N 318.486 4.973 30 20 DJED CCC[C@@H](C(=O)Nc1ccccc1C#N)c1cccc(Cl)c1 1529991294 BBERABMWBSWCJG-MRXNPFEDSA-N 312.800 4.734 30 20 DJED N#C[C@H]1CCC[C@H](OC(=O)c2ccc(C3CCCCC3)cc2)C1 1535479563 UEDSSIKIGTYKTE-KXBFYZLASA-N 311.425 4.973 30 20 DJED CC1(CNc2nccc(Oc3cccc(C#N)c3)n2)CCCCC1 1559203708 BGVNSFOMIGBAPQ-UHFFFAOYSA-N 322.412 4.523 30 20 DJED CC(C)CCC[C@@H](C)NCc1cc(C#N)ccc1Br 1560248361 NQYWCHBQEYTEPZ-CYBMUJFWSA-N 323.278 4.625 30 20 DJED Cc1nsc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)c1C#N 1639475074 VNGOMLJJJSKYNJ-DYQSUWPFSA-N 317.845 4.786 30 20 DJED Cc1cc(Nc2ccc(OCc3ccccc3)cc2)ncc1C#N 1651350057 BIVDNVNMLBCTBM-UHFFFAOYSA-N 315.376 4.584 30 20 DJED Cc1cc(CN[C@@H]2CCC[C@H](c3ccccc3)C2)ccc1C#N 1657312912 RSHFQLCDTWBOEL-PZJWPPBQSA-N 304.437 4.683 30 20 DJED C=C(Cl)CN[C@H](C)c1sc(-c2ccc(C)cc2)nc1C 1658137374 GJZORTQKHHKTJW-GFCCVEGCSA-N 306.862 4.830 30 20 DJED CCc1ccc(C2CCN([C@H](C#N)c3ccccc3)CC2)cc1 1659660872 YUXBIGBSTKIKHG-OAQYLSRUSA-N 304.437 4.693 30 20 DJED CC(C)(CCCc1ccccc1)CNCc1ccc(C#N)cc1 1661473063 VCVFATYLMFDPHO-UHFFFAOYSA-N 306.453 4.697 30 20 DJED CC[C@@H](C)C[C@@H](C)NC(=O)Nc1scc(C(C)(C)C)c1C#N 1671686472 NTZDDKACZXRVFL-VXGBXAGGSA-N 321.490 4.863 30 20 DJED CCCCSCC(=O)Nc1ccccc1S[C@H](C)CC#N 170992135 HIPPBDFOMORJBU-CYBMUJFWSA-N 322.499 4.553 30 20 DJED C=C(C)[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(F)c(F)c1 186446145 HFTXDXNPIGUPEU-ORAYPTAESA-N 312.363 4.804 30 20 DJED C[C@H]1C[C@H](Nc2ccc(OCC#N)cc2)c2ccsc2S1 216866023 FRLWFDLIXZKHLS-NHYWBVRUSA-N 316.451 4.688 30 20 DJED CC(C)(CCC#N)CNCc1ccccc1OCc1ccccc1 310260917 HPSSHIXDCKVKGA-UHFFFAOYSA-N 322.452 4.685 30 20 DJED C=CCC[C@@H](NCc1ccc(C(F)(F)F)cn1)c1ccccc1 341911817 QPPFCJPHFXZMQX-QGZVFWFLSA-N 320.358 4.898 30 20 DJED C[C@H](C#N)Oc1ccccc1N[C@H]1CCC[C@@H](c2cccnc2)C1 369216929 WCGKZTDPRHSJFY-NUJGCVRESA-N 321.424 4.511 30 20 DJED N#CCC1(CN[C@@H]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 430736069 BXLDVDMTHMKOBA-CZUORRHYSA-N 323.267 4.913 30 20 DJED Cc1oc(C#N)cc1C(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 436145295 HIYURZYBWUXHHS-LJQANCHMSA-N 322.408 4.560 30 20 DJED C=CCC[C@@H](NC(=O)Nc1scnc1CC)c1ccccc1 437875404 LFUVOECYTAJPAC-OAHLLOKOSA-N 315.442 4.535 30 20 DJED C=C(C)COc1cccc(NC(=O)N2CCC(C(C)C)CC2)c1 438133568 CTBJBURMRLLJGA-UHFFFAOYSA-N 316.445 4.541 30 20 DJED C=CCC[C@H](NC(=O)Nc1cscc1C)c1ccccc1 439488354 ZJWRDDWXAXJRKU-HNNXBMFYSA-N 300.427 4.886 30 20 DJED C=CCCCCN[C@H](c1cccnc1)c1cc2ccccc2o1 471578455 RAKNZGAIBSWGEH-HXUWFJFHSA-N 306.409 4.863 30 20 DJED CC(C)CN(C(=O)c1cc(C#N)cs1)c1ccc(Cl)cc1 475063918 UQMFAYONPHNGCW-UHFFFAOYSA-N 318.829 4.576 30 20 DJED C=CCC(CC=C)C(=O)N1CC=C(c2cccc3ccccc23)C1 501570176 SJRMUPQYOSINQH-UHFFFAOYSA-N 317.432 4.834 30 20 DJED CC(C)N(Cc1cccc(Cl)c1)Cc1cc(C#N)cs1 507147810 YSNYISNOUWAMCH-UHFFFAOYSA-N 304.846 4.684 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1cc(-c2ccc(OC)nc2)ccc1C 512979338 NHIOSWYTUOOXFR-HXUWFJFHSA-N 324.424 4.606 30 20 DJED N#CCC[C@H](NCc1ccc(C(F)F)cc1)c1ccccc1 526984417 SUEPIAUCCRMWSA-KRWDZBQOSA-N 300.352 4.759 30 20 DJED CC(C)(C#N)CCCN[C@@H](COc1ccccc1)c1ccccc1 538216730 QKWXTOQELFZAJI-FQEVSTJZSA-N 322.452 4.726 30 20 DJED C[C@H](NCC1(c2cccc(Cl)c2)CC1)c1ccc(C#N)cc1 539497055 YGBVLCIDGPGFIV-AWEZNQCLSA-N 310.828 4.594 30 20 DJED N#CCc1ccc(NCc2cnc(C3CCCCC3)s2)cc1 546072947 BELBPZDGKXPKQL-UHFFFAOYSA-N 311.454 4.869 30 20 DJED C=CCC[C@H](NCc1c(Cl)cccc1OC)c1ccco1 552281670 GEGFEICPSZVAOC-HNNXBMFYSA-N 305.805 4.739 30 20 DJED C=CCN(C(=O)[C@@H](C)SCc1ccccc1)c1ccccc1 554696884 DUOLETXBDKAZET-MRXNPFEDSA-N 311.450 4.528 30 20 DJED CCC[C@@H](NC[C@H](C#N)CCC#N)c1ccc(Cl)c(Cl)c1 569920018 CDVMTFXHIHGGIK-BLLLJJGKSA-N 324.255 4.868 30 20 DJED CCC1(c2noc(C[C@H](CC#N)c3ccccc3)n2)CCCC1 570792142 VNIRUYHASIFHON-INIZCTEOSA-N 309.413 4.531 30 20 DJED C[C@@H](c1noc(C(C)(C)c2cc(F)cc(C#N)c2)n1)C(C)(C)C 581395340 CJURXQSQOVZKRJ-NSHDSACASA-N 315.392 4.556 30 20 DJED CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCCCCC#N)o1 588628953 ZEISACAQBBXNKD-NVXWUHKLSA-N 316.445 4.616 30 20 DJED CC[C@H](c1ccccc1)N(C(=O)c1ccc(CC#N)cc1)C(C)C 598886819 WSVDWNRUVYQNRB-HXUWFJFHSA-N 320.436 4.755 30 20 DJED C=CC1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1 601078318 PFOSITSUBNDEEM-UHFFFAOYSA-N 306.409 4.784 30 20 DJED C[C@H](NC(=O)Nc1ccc(C#N)cc1)c1cccc2ccccc12 603501132 RZEMBYHUBDSROU-AWEZNQCLSA-N 315.376 4.594 30 20 DJED CSc1ccc(C)c(C(=O)O[C@H](C)c2cccc(C#N)c2)c1 727640619 MIUPUPQTIFAMLM-CYBMUJFWSA-N 311.406 4.507 30 20 DJED O=C(/C=C\c1cccc(F)c1F)c1cccc(-c2ccncc2)c1 741472844 LCAGQDYWNZEITN-FPLPWBNLSA-N 321.326 4.923 30 20 DJED COc1cc(C=NNc2cccc(Cl)c2F)ccc1SC 746495035 WXAQGDGEFDUENW-UHFFFAOYSA-N 324.808 4.656 30 20 DJED CCCCOc1ccc(NCc2ccc(C#N)s2)c(C)c1 749109499 RKMIDQQOZBDZGB-UHFFFAOYSA-N 300.427 4.719 30 20 DJED O=C1/C(=C\c2coc(-c3ccccc3)n2)Cc2c(Cl)cccc21 749893515 YWWAOZCEDVGMQC-LCYFTJDESA-N 321.763 4.817 30 20 DJED N#Cc1cc(F)ccc1N[C@@H]1CC2(CCC2)Oc2ccccc21 757789371 PTHYWVOMYIRYOH-QGZVFWFLSA-N 308.356 4.556 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2csc(Cl)c2Cl)cc1 761477383 XBFXEFMWOIAJKF-AATRIKPKSA-N 308.189 4.823 30 20 DJED FC(F)(F)C1CCC(C=NNc2ccc(Cl)nc2)CC1 767381362 WCSSUQGFUNOJSM-UHFFFAOYSA-N 305.731 4.501 30 20 DJED CCCCCCCCC(=O)N[C@H]1CCOC2(CCCCC2)C1 768373556 FNWQGGNHAIGSKJ-KRWDZBQOSA-N 309.494 4.735 30 20 DJED O=C1/C(=C/c2ccc(Cl)s2)CCc2ccc([N+](=O)[O-])cc21 773149260 JCTWAYCVMOFVCM-JXMROGBWSA-N 319.769 4.522 30 20 DJED C#CCCCCC(=O)N1CCCC[C@H]1CCCc1ccccc1 773494897 MEXNCAPDXRVKAM-FQEVSTJZSA-N 311.469 4.584 30 20 DJED C=CCCOCCCCC(=O)O[C@@H]1CCc2c(Cl)cccc21 776087591 YNOTXYDXTSKBBH-QGZVFWFLSA-N 322.832 4.634 30 20 DJED Cc1c(C(=O)/C=C\c2cc(F)cc(Cl)c2)cnn1C(C)(C)C 787186809 MYNSHQJMHBVUGM-WAYWQWQTSA-N 320.795 4.635 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2ccc(Cl)nc2C)CCCC1(C)C 788807284 FVGIEIOFMQAGME-AWEZNQCLSA-N 321.852 4.642 30 20 DJED CC(C)n1nccc1/C=C\C(=O)c1cc2cc(Cl)ccc2o1 794937744 IWVNFXFSZBHTLM-PLNGDYQASA-N 314.772 4.760 30 20 DJED N#Cc1ccc2c(c1)C(=O)/C(=C\c1csc(Cl)c1Cl)C2 811697008 XKBJPXJHYAWALP-YHYXMXQVSA-N 320.200 4.749 30 20 DJED C[C@@H](OC(=O)CCCC#N)c1cccc(OCc2ccccc2)c1 813090768 BIQIENPOAXVPQM-MRXNPFEDSA-N 323.392 4.564 30 20 DJED O=C1/C(=C\c2cccc(OC(F)F)c2)CSc2ccccc21 866021063 TVMJRSYWJPKUOX-WQLSENKSSA-N 318.344 4.660 30 20 DJED C[C@@H](C(=O)N(O)Cc1cccc2ccccc12)c1cccc(F)c1 901371025 KTBXKCNJSVVMRH-CQSZACIVSA-N 323.367 4.500 30 20 DJED C=CCOc1ccccc1-c1nc(-c2ccc(CC)cc2)no1 904575788 KGHNLJRDAKVWSZ-UHFFFAOYSA-N 306.365 4.531 30 20 DJED CC(=NNc1ccc2ccccc2n1)c1ccc(F)c(Cl)c1 915939456 MBGLIAICWQHVSO-UHFFFAOYSA-N 313.763 4.863 30 20 DJED CC(=NNc1cc(C)nc(C)n1)c1ccc(-c2ccccc2)cc1 915970629 KBLJDUZVEJTETM-UHFFFAOYSA-N 316.408 4.597 30 20 DJED CCC(=NNc1cc(C)nc(C)n1)c1ccc(Cl)c(Cl)c1 915970729 KXCVKWIINLKVFE-UHFFFAOYSA-N 323.227 4.626 30 20 DJED N#Cc1ccnc(/C=C\c2ccc(Br)c(Cl)c2)c1 1117392453 ROFQMCHLLIFQPR-IWQZZHSRSA-N 319.589 4.540 30 20 DJED Cc1ccc(C(=O)Nc2cc(Cl)c(C)c(Cl)c2)cc1C#N 1125496728 ZCRHCNRLWOLKJI-UHFFFAOYSA-N 319.191 4.734 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 1128304413 JRUQJKOYJZNQPJ-HZPDHXFCSA-N 306.494 4.770 30 20 DJED Cc1ccc(C)c(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1 1129477368 HRDSMRTZESBBKS-UHFFFAOYSA-N 312.438 4.786 30 20 DJED N#Cc1c(F)cccc1N[C@H]1CCCC[C@H]1Cc1ccccc1 1185254456 VLZPUIWHVGPYSS-LPHOPBHVSA-N 308.400 4.911 30 20 DJED CSc1ccccc1C(=O)/C=C\c1nc2c(s1)CCCC2 1322614582 KNCMESYQZNTTBS-KHPPLWFESA-N 315.463 4.640 30 20 DJED N#CC[C@H](C(=O)O[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccccc1 1354720347 RIWRSJVESVKIHR-LULLPPNCSA-N 311.425 4.586 30 20 DJED CCCCC1CCC(CNC(=O)C2(C#N)CCCCC2)CC1 1355634834 OLTZMNQWERVVPQ-UHFFFAOYSA-N 304.478 4.573 30 20 DJED Cc1ccc([C@H]2CCC[C@H]2N(C)c2cccc(F)c2C#N)cc1 1458209660 OWWZZTPGJFULBW-VQIMIIECSA-N 308.400 4.778 30 20 DJED C[C@@H](NCc1cccc(C#N)c1)C1(c2ccccc2)CCCC1 1459957628 BMIBXXFIOJBNJS-QGZVFWFLSA-N 304.437 4.548 30 20 DJED Cc1ccc2c(c1)CN(Cc1ccc(Cl)cc1C#N)C(C)(C)C2 1460146590 ZNSAZJOIJDNYST-UHFFFAOYSA-N 324.855 4.857 30 20 DJED Cc1nc(Nc2cccc(OCC(C)C)c2)c(Cl)cc1C#N 1472669005 GJWYWRZIQVWJNA-UHFFFAOYSA-N 315.804 4.694 30 20 DJED CCCCN(Cc1cc(C#N)ccc1OC)[C@H]1CCC[C@H](C)C1 1473510174 NXUZGGDPGBOPAP-LPHOPBHVSA-N 314.473 4.748 30 20 DJED CCCc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)sc1C 1530355984 XYNHHLNLOBFOSY-UHFFFAOYSA-N 318.829 4.786 30 20 DJED CC(C)c1cnc(SCc2ccc(F)c(C#N)c2)n1C1CC1 1559374912 WGOBWRULWBBEFX-UHFFFAOYSA-N 315.417 4.644 30 20 DJED CCC[C@H](C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1cccc(Cl)c1 1584703731 WZLUHDHAGYWDKH-XKQJLSEDSA-N 319.832 4.849 30 20 DJED Cc1ccccc1[C@H](Nc1ccnc(C#N)n1)[C@@H]1CCC[C@@H](C)C1 1611961520 GPIZBNIMXMNLDV-AKCHCHLHSA-N 320.440 4.636 30 20 DJED Cc1ccccc1[C@@H](C)Sc1nc2c(c(C)c1C#N)CCC2 1643546652 UHRSIQXAZDDHIV-CQSZACIVSA-N 308.450 4.912 30 20 DJED N#Cc1cc(Cl)ccc1CSc1nc2ncccc2s1 1644155192 YPBMCNALKZOVMI-UHFFFAOYSA-N 317.826 4.509 30 20 DJED Cc1c(C#N)c(SCc2ccccc2C2CC2)nc2c1CCC2 1651685842 HLKKMOXIBYTQJZ-UHFFFAOYSA-N 320.461 4.920 30 20 DJED CCCN(Cc1ccc(C#N)cc1)[C@@H](CCOC)c1ccccc1 1653157150 YURLGZSBEIRKFN-NRFANRHFSA-N 322.452 4.548 30 20 DJED CCCCc1ccc(C(=O)/C=C\c2ccc(CC(=O)O)cc2)cc1 1776805920 BYSBGFCWISVLMX-KAMYIIQDSA-N 322.404 4.552 30 20 DJED CCN(C(=O)c1cc2ccccc2o1)[C@@H](C)c1ccc(C#N)cc1 45499233 VDIMHIXQSYFLTB-AWEZNQCLSA-N 318.376 4.528 30 20 DJED C[C@H](Cc1ccsc1)Nc1ccc(C#N)c(C(F)(F)F)c1 49185824 BIFIKMQZGGGAJS-SNVBAGLBSA-N 310.344 4.682 30 20 DJED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccoc1 56469936 FPAMFBJSKXUNHM-UHFFFAOYSA-N 318.332 4.504 30 20 DJED O=C(/C=C/c1cccc(O)c1)c1ccc2c3c(cccc13)CC2 71813698 CIEFGKMHBSKIJC-KPKJPENVSA-N 300.357 4.540 30 20 DJED C[C@H](Nc1cccc(OCCCC#N)c1)c1ccc(F)c(F)c1 79724184 KVKYQVCVUXHNBO-ZDUSSCGKSA-N 316.351 4.820 30 20 DJED Cc1nc(CNc2ccccc2SC[C@@H](C)C#N)sc1C 88533382 ITFFEKQDGLTBJS-NSHDSACASA-N 317.483 4.624 30 20 DJED C=CCCCCCN(C)Cc1nnc(-c2ccccc2Cl)o1 150899444 PUOJDRXUMAFBCE-UHFFFAOYSA-N 319.836 4.568 30 20 DJED C[C@H](Nc1ccc(F)cc1OCC#N)c1cccc(Cl)c1 155490212 VOOSRHLNAMNYOM-NSHDSACASA-N 304.752 4.555 30 20 DJED CCCCOc1cccc(NCc2ccc(O[C@H](C)C#N)cc2)c1 177555299 MNOOWFCINMZFHL-MRXNPFEDSA-N 324.424 4.768 30 20 DJED C[C@H](CNc1ccc(C#N)c(Br)c1)c1ccccc1 228194948 UOQHUJXMMMXGLA-GFCCVEGCSA-N 315.214 4.536 30 20 DJED CC[C@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccc(C)cc1 236944183 MKMILJWIPCTOAD-JXFKEZNVSA-N 308.425 4.527 30 20 DJED Cc1cc(/C=C\C(=O)c2ccco2)ccc1Oc1cccnc1 255298681 IAYXDSLCURAZPX-VURMDHGXSA-N 305.333 4.671 30 20 DJED N#Cc1c(Cl)nsc1SCc1ccccc1Cl 302646254 APOWOAFEWRSLHG-UHFFFAOYSA-N 301.223 4.614 30 20 DJED Cc1ncc(N=C(O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c(C2CC2)n1 328753820 DLYJCBWGXJAPII-CWRNSKLLSA-N 313.445 4.857 30 20 DJED CC[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1Br 453289755 ITWPZICKWMJLFY-HEHGZKQESA-N 321.262 4.572 30 20 DJED C[C@H]1CCCc2ccccc2[C@H]1NCc1ccc(C#N)cc1F 462535935 CZRNTWYHJUYHMM-XOBRGWDASA-N 308.400 4.501 30 20 DJED CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)c1cc(C)cc(C)c1 474782625 GDNPZIJCOJRGEX-UHFFFAOYSA-N 320.436 4.771 30 20 DJED C=CCSc1ccccc1C(=O)Nc1ccc(F)c(F)c1F 485740937 BVEXOMZRHPPDOK-UHFFFAOYSA-N 323.339 4.634 30 20 DJED C=CCC[C@@H](C(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 487586853 VTEAPKFYLZINRH-LJQANCHMSA-N 307.393 4.578 30 20 DJED N#Cc1ccc(CSCc2ccc(OC(F)F)cc2)c(F)c1 498130639 AQCGFKCFYWZSRY-UHFFFAOYSA-N 323.339 4.732 30 20 DJED C=C(C)CCc1noc(COc2cc(C)ccc2C(C)C)n1 508646433 SLSAOAYIRIPSHQ-UHFFFAOYSA-N 300.402 4.589 30 20 DJED N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H]1C1CCCCC1 522409200 DGTYDQJRQOTKBK-AWEZNQCLSA-N 323.362 4.521 30 20 DJED CN(c1ccccc1NCc1ccccc1C#N)C1CCCC1 532393912 YCCUXTUARFHIFQ-UHFFFAOYSA-N 305.425 4.549 30 20 DJED C=C[C@@H](CC(=O)N[C@H](C)c1c(F)cccc1F)c1ccccc1 535335150 FKNQMTXORSZSQC-KGLIPLIRSA-N 315.363 4.502 30 20 DJED N#CCCCN[C@@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 543427379 ZMZUOWBVSZZTMZ-JKSUJKDBSA-N 310.363 4.625 30 20 DJED C=CCOc1ccc(CN[C@H](C)c2ccc(CC)s2)cc1 552090988 ZGGJEUQAXBWGTF-CQSZACIVSA-N 301.455 4.726 30 20 DJED C[C@@](C#N)(NC(=O)CC1CC(c2ccccc2)C1)C1CCCCC1 573769465 SZRHDIKYRRLPGX-IAYYMHMVSA-N 324.468 4.549 30 20 DJED Cc1ccc(-c2ncc(CNc3ccc(C#N)cc3)s2)cc1 575822741 ADRQAHVYROJNKU-UHFFFAOYSA-N 305.406 4.602 30 20 DJED CCC[C@@H](CC1CCCCC1)C(=O)N1CCC(CCC#N)CC1 582243396 MBKBRUBNCWTXHM-IBGZPJMESA-N 318.505 4.915 30 20 DJED N#CCCCCCc1nc(-c2ccc(Cl)c(Cl)c2)no1 589071120 LKLWHCZJRVKVLJ-UHFFFAOYSA-N 310.184 4.670 30 20 DJED CCc1cccc2cc(CN[C@H](C)c3ccc(C#N)cc3)oc12 594914111 CTTLBZPRJICMKY-CQSZACIVSA-N 304.393 4.718 30 20 DJED CCCN(C(=O)CCC1CCCC1)c1cc(Cl)ccc1C#N 609285641 CDCRMRNVQWDFJF-UHFFFAOYSA-N 318.848 4.925 30 20 DJED CC(C)c1cccc(NC(=O)N[C@H](C)c2cccc(C#N)c2)c1 610317997 UYQGCRBTUSHDBG-CQSZACIVSA-N 307.397 4.564 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1F)c1ccc(C(C)(C)C)cc1 610341878 FEKNEBQBGQTICX-CQSZACIVSA-N 310.416 4.846 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)c1ccc2ccccc2c1 615971511 KTDJQLMXZLPTSH-UHFFFAOYSA-N 319.379 4.807 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccccc1OC(C)C 642665513 GQJPVUQSUQAFNL-UHFFFAOYSA-N 324.424 4.694 30 20 DJED CC(C)CCN(CCC#N)Cn1ccc(=S)c2ccccc21 731660095 ARKSBHDQBGNQCW-UHFFFAOYSA-N 313.470 4.590 30 20 DJED Clc1ccc(-c2noc(NN=C3CCCCCC3)n2)cc1 732924941 CHYZIBGXMWZISH-UHFFFAOYSA-N 304.781 4.512 30 20 DJED C=CC[C@H](C)NC(=S)Nc1ccccc1Oc1ccccc1 734987480 QWKLCKTYMGGYRA-AWEZNQCLSA-N 312.438 4.730 30 20 DJED Cc1cccc2nc([C@@H](C#N)C(=O)CCCC3CCCCC3)[nH]c12 735793805 ZGUNWJNAOINGGC-INIZCTEOSA-N 323.440 4.798 30 20 DJED O=C(/C=C/c1ccc(Cl)nc1)c1ccccc1C(F)(F)F 748994270 LHXNMBOHSUXZDY-FNORWQNLSA-N 311.690 4.650 30 20 DJED Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3CC[C@H](C(C)C)CC3)[nH]c12 753555846 RGJSIMQXLFRIAG-BZUAXINKSA-N 323.440 4.510 30 20 DJED CCN(C(=O)c1ccc(Cl)c(C#N)c1)c1ccc(Cl)cc1 754072265 RQNCYZYQLOCTTL-UHFFFAOYSA-N 319.191 4.532 30 20 DJED CCCn1c(-c2ccc(O[C@H](C)C#N)cc2)nc2cc(F)ccc21 758455689 ZMRYKPIFHDCAGI-CYBMUJFWSA-N 323.371 4.543 30 20 DJED CC(C)Sc1ccccc1NC(=O)/C=C/c1ccccc1C#N 760812893 ZITPOHHMAUWBRX-VAWYXSNFSA-N 322.433 4.711 30 20 DJED C=CCCC[C@H](C)NC(=S)Nc1c(CC)cccc1CC 776205489 YSMUEIWIECUUDD-AWEZNQCLSA-N 304.503 4.843 30 20 DJED CCN(c1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1)C(C)C 776797100 GFNWFHMIYMLRDV-MRXNPFEDSA-N 307.441 4.966 30 20 DJED C#CCCCCCC(=O)N(CC)Cc1ccc2ccccc2c1 779864439 BWPNBNDPGFVRIK-UHFFFAOYSA-N 307.437 4.772 30 20 DJED CCCCCCCCC[C@@H](C)CC(=O)N1CCC(C)(O)CC1 787425459 KUVSCOFFJQGPCL-QGZVFWFLSA-N 311.510 4.527 30 20 DJED C[C@@H](C#N)Oc1ccc(CNc2ccccc2NC(C)(C)C)cc1 798500420 OMYYUHXVRHYSMC-HNNXBMFYSA-N 323.440 4.800 30 20 DJED CCCCCCCCOCc1nc([C@@H]2CCC(F)(F)C2)no1 799189230 AFKNVXUQIZTJAK-CYBMUJFWSA-N 316.392 4.850 30 20 DJED C#CCC1(c2nc(-c3ccc4ncccc4c3)no2)CCCCC1 809337972 QERNSSBDHUACFF-UHFFFAOYSA-N 317.392 4.510 30 20 DJED CC(C)c1ccc2c(Cl)c(C(=O)N(C)[C@H](C)C#N)sc2c1 839367432 QWTYDAYDVCTJQN-SNVBAGLBSA-N 320.845 4.662 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(Oc3ccccc3)cc2)C1 1129725629 ZEJSRGVJGCVRJM-BEFAXECRSA-N 321.376 4.718 30 20 DJED Cc1c(Cl)cnc(N[C@@H]2C[C@H]2c2cccc(Cl)c2)c1C#N 1186285282 QDBXCYLLAMRWDL-SWLSCSKDSA-N 318.207 4.537 30 20 DJED CC(C)(C#N)c1ccccc1CN[C@@]1(c2ccccc2)CC1(C)C 1307960911 AAICWHXWMUWZLM-JOCHJYFZSA-N 318.464 4.903 30 20 DJED CC(C)(c1cccc(Cl)c1)c1nnc(-c2ccc(C#N)cc2)o1 1328348258 ORTUCPHJGUVXEU-UHFFFAOYSA-N 323.783 4.588 30 20 DJED C[C@H](C(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 1361168506 ILJNWGSVBUKPAJ-QWHCGFSZSA-N 313.784 4.620 30 20 DJED CCC(C)(C)CNCc1cccc(OCc2ccccc2C#N)c1 1461435190 VZGWTLZILDINOD-UHFFFAOYSA-N 322.452 4.663 30 20 DJED CC(C)(C)[C@H]1CCC[C@H](NCc2ccc(C#N)cc2F)CC1 1474115182 ZMHUPKWOHJCSHI-IRXDYDNUSA-N 302.437 4.782 30 20 DJED CCC(CC)N(C(=O)c1ccc(F)c(C#N)c1)c1cccc(C)c1 1520397903 VIDPIIBQESGXIH-UHFFFAOYSA-N 324.399 4.841 30 20 DJED CCSc1ccc(Cl)cc1NC(=O)C(C#N)(CC)CC 1521180714 XBKWOVCWOADJTD-UHFFFAOYSA-N 310.850 4.720 30 20 DJED C[C@@H](CC1CCCCC1)C(=O)N(C)c1cc(Cl)ccc1C#N 1524850119 ZUQINIRVYSLUKR-ZDUSSCGKSA-N 318.848 4.781 30 20 DJED C[C@@H](CC1CCCC1)C(=O)N(c1ccc(C#N)cc1)C1CCC1 1533786096 AARBDASQXAMHFI-HNNXBMFYSA-N 310.441 4.660 30 20 DJED Cc1cc(NC[C@@H](C)C(C)(C)C)n2c(nc3ccccc32)c1C#N 1559281166 KFKAZAJHCJXYRY-CQSZACIVSA-N 320.440 4.762 30 20 DJED C[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2C#N)[C@@H]1C 1559617720 NKDSBHQOEACHOW-CHWSQXEVSA-N 312.413 4.587 30 20 DJED Cc1ccc(CN(Cc2ccc(C#N)cc2)CC(C)C)c(C)c1 1615318426 JFJZMNCLROSJIB-UHFFFAOYSA-N 306.453 4.833 30 20 DJED C=C(Cl)CN[C@@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F 1616006916 JCRIYHBTXIUOMX-ZDUSSCGKSA-N 305.771 4.930 30 20 DJED C[C@@]1(CCc2ccccc2)CCN([C@@H](C#N)c2ccccc2)C1 1641971541 USQVRCIMYOJZIH-LEWJYISDSA-N 304.437 4.596 30 20 DJED Cc1c(Cl)cnc(N[C@H]2c3ccccc3CC[C@H]2C)c1C#N 1650912467 NAXCFNBSRBNEOO-PIGZYNQJSA-N 311.816 4.651 30 20 DJED CCC(CC)CN(CCC#N)c1nc2cccc(F)c2s1 1650935097 WOAQECLMPLNPDW-UHFFFAOYSA-N 305.422 4.592 30 20 DJED CSc1ccc(CSCc2cn3ccccc3c2C#N)cc1 1652813702 PRMPECQORBAVSF-UHFFFAOYSA-N 324.474 4.966 30 20 DJED CCN(CCc1ccc(C#N)cc1)c1cccc2ccccc12 1654229623 QQEUZAMCILWJOZ-UHFFFAOYSA-N 300.405 4.780 30 20 DJED CC(C)[C@@H]1CCc2ccccc2[C@H]1NCc1ccc(C#N)cc1F 1656058849 GOQRJSDMRSUQPH-RXVVDRJESA-N 322.427 4.747 30 20 DJED C[C@H](Cc1c(Cl)cccc1Cl)NCc1ccc(C#N)cc1 1657695271 BFBOTLRKCIKGBY-GFCCVEGCSA-N 319.235 4.586 30 20 DJED CCCC[C@@H](CC)CNC(=O)N[C@@H](CCC#N)c1ccccc1 1674002204 NGCJFGDRXBPEPS-AEFFLSMTSA-N 315.461 4.547 30 20 DJED O=C(O)c1ccccc1NN=CC1CCC(c2ccccc2)CC1 1776030588 UDNPATKNYPYZIH-UHFFFAOYSA-N 322.408 4.757 30 20 DJED CCCCCC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32290449 MXSYAGQKPNMRJF-UHFFFAOYSA-N 322.408 4.656 30 20 DJED N#C[C@H](C(=O)CCCC1CCCCC1)c1nc2ccccc2o1 41542728 LFWVMFSZUVDAMD-OAHLLOKOSA-N 310.397 4.755 30 20 DJED CC(C)N(Cc1cccc(Cl)c1)Cc1cc(C#N)ccc1F 59038080 IOBROJTWACEJNN-UHFFFAOYSA-N 316.807 4.761 30 20 DJED CCC[C@@H](CC)NC(=O)Nc1ccccc1S[C@H](C)CC#N 109028037 SSQSRLSVMDTMQM-ZIAGYGMSSA-N 319.474 4.781 30 20 DJED CCOc1cc(/C=C\C(=O)c2cc3ccccc3o2)ccc1OC 109037849 HNFNQNGNHIAAAD-NTMALXAHSA-N 322.360 4.736 30 20 DJED O=C(/C=C/c1cncs1)c1cccc(OCc2ccccc2)c1 130007136 FTNOVQTWEMZDHB-MDZDMXLPSA-N 321.401 4.618 30 20 DJED C=C(C)COc1cccc(NCc2ncccc2C(F)(F)F)c1 153301805 AAWNUPMCJNGATH-UHFFFAOYSA-N 322.330 4.667 30 20 DJED O=C(/C=C/c1csc(-c2cccs2)n1)c1ccsc1 170851620 SSLKORUEVJWXLH-ONEGZZNKSA-N 303.433 4.829 30 20 DJED Cc1ccc(-c2nnc(S[C@@H](C)c3cccc(C#N)c3)o2)cc1 189800801 JFSRLKZTNXXGCQ-ZDUSSCGKSA-N 321.405 4.770 30 20 DJED Cc1csc([C@H](C#N)C(=O)c2ccc(C(C)C)c(Cl)c2)n1 191371939 SLCXAZCINKWDHX-CYBMUJFWSA-N 318.829 4.718 30 20 DJED C=CCCCCCSCc1nnc(-c2ccccc2OC)o1 192550255 CNLPFBZIMNBKNH-UHFFFAOYSA-N 318.442 4.725 30 20 DJED Cc1ccc([C@H](C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 193568988 OXCLMYTYYCIXPR-HNNXBMFYSA-N 321.424 4.679 30 20 DJED C[C@@H]1C[C@H]1[C@@H](NCc1cccc(C#N)c1)c1ccc(Cl)cc1 237454861 SJFGIMVFSJTCEK-ZNOIYHFQSA-N 310.828 4.699 30 20 DJED Cc1noc(C)c1/C=C\C(=O)c1ccc(SC(F)F)cc1 255247104 NKRLXPJRDVBLNP-FPLPWBNLSA-N 309.337 4.502 30 20 DJED C[C@@H](C#N)Oc1ccc(/C=C\c2ccc3ccccc3n2)cc1 255341571 VBVQQGKZUDHQBZ-MLBQELRYSA-N 300.361 4.696 30 20 DJED CC1(C)CCC(C/C(O)=N/Cc2noc3c2CCCC3)CC1 329274989 BIKOCKDEEJRQDT-UHFFFAOYSA-N 304.434 4.616 30 20 DJED CC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C)cc1 341759115 DMTCTBIONMIAKK-LEWJYISDSA-N 304.437 4.985 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NCc1ncc(Cl)s1 358211931 PAZYYZLHMOLYGK-JTQLQIEISA-N 323.874 4.803 30 20 DJED Cc1csc(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 393521059 PURNVDGVLOYHQR-UHFFFAOYSA-N 316.451 4.511 30 20 DJED CCCC(C#N)(CCC)NC(=O)CC[C@H](C)c1ccccc1 441506034 ZLXZPRATXNDSEI-INIZCTEOSA-N 300.446 4.549 30 20 DJED C=CCCCCCSc1nnc(-c2ccc(OC)cc2)o1 447311658 IEIYHXSGBLFGTL-UHFFFAOYSA-N 304.415 4.584 30 20 DJED CC[C@H](NC[C@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(C#N)cc1 447587155 PAWKNZFUXODKKX-IKGGRYGDSA-N 324.390 4.968 30 20 DJED C[C@H](c1ccccc1)N(C(=O)Nc1cccc(CC#N)c1)C1CC1 455907272 PGGOYLYGCJFYOZ-OAHLLOKOSA-N 319.408 4.510 30 20 DJED N#Cc1ccc(N2CCC[C@H]2c2ccsc2)cc1C(F)(F)F 486925748 MYOBEWRZQICPDN-HNNXBMFYSA-N 322.355 4.980 30 20 DJED C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H](C)c2ccc3ccccc3c2)C1 531236964 ITCJAKJWQYOYNH-WHSLLNHNSA-N 320.436 4.532 30 20 DJED N#CCCCCN[C@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 537294837 GYZSTBAUJUJZFR-BBRMVZONSA-N 311.256 4.913 30 20 DJED N#Cc1ccccc1CNC1(c2c(Cl)cccc2Cl)CC1 539334608 BVGMUNVHAQKIGW-UHFFFAOYSA-N 317.219 4.644 30 20 DJED N#CCc1ccc(CNC2(c3cccc(Cl)c3)CCCC2)cc1 542258404 ARUBSZNQTYOKEW-UHFFFAOYSA-N 324.855 4.965 30 20 DJED CC(C)Oc1ccccc1[C@@H](C)NCCCCC(C)(C)C#N 576099052 RSQKDSQRZODWMZ-MRXNPFEDSA-N 302.462 4.844 30 20 DJED CCC(C#N)(CC)C(=O)N[C@H](C)c1ccc(SC(C)C)cc1 599329060 CKDULOHXZTYYOL-CQSZACIVSA-N 318.486 4.694 30 20 DJED CCC[C@H](C)CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604528306 VMAPELOASIGGQE-AWEZNQCLSA-N 323.396 4.510 30 20 DJED C[C@@H](CCSc1ccccc1)N[C@@H](C)c1cccc(C#N)c1 611387089 DWAXVKHNYKTKSI-HOTGVXAUSA-N 310.466 4.780 30 20 DJED C=CCSc1nnc(-c2ccccc2)n1[C@@H](C)c1ccccc1 614090338 BKIWDJZKQJCQGP-HNNXBMFYSA-N 321.449 4.833 30 20 DJED C=CC[C@@H](CC)NC(=O)[C@H](C)c1c(Cl)cccc1Cl 684938650 FMLLNBWRNYXTDH-GHMZBOCLSA-N 300.229 4.568 30 20 DJED CC(C)c1ccc2c(Cl)c(C(=O)NC[C@@H](C)C#N)sc2c1 732658682 JQOHCXUHBUKFOW-JTQLQIEISA-N 320.845 4.568 30 20 DJED Fc1cccc(F)c1NN=Cc1cccc(Cl)c1Cl 735619904 RZJZBAZFADNANX-UHFFFAOYSA-N 301.123 4.718 30 20 DJED Cc1cc(C(=O)/C=C\c2ccc(-n3cccn3)cc2)cc(C)c1F 741467179 KZMYGSGGOROZIV-TWGQIWQCSA-N 320.367 4.524 30 20 DJED Cc1cc(/C=C\C(=O)c2cccs2)ccc1Br 746395043 UZRRSBDRRCETQM-ALCCZGGFSA-N 307.212 4.715 30 20 DJED CC(=NOCc1cccnc1)C(c1ccccc1)c1ccccc1 746588127 YYLQHDSQKNLVLC-UHFFFAOYSA-N 316.404 4.806 30 20 DJED Cc1cc2cc(C(=O)/C=C/c3cccnc3Cl)oc2cc1C 749133171 WFFBAYIVGWOHBK-AATRIKPKSA-N 311.768 4.994 30 20 DJED CC(C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)=C1CCCC1 753607470 HEZOSUXYPRHJMB-AWEZNQCLSA-N 323.223 4.565 30 20 DJED COc1cc(C#N)ccc1CN[C@H](C)c1csc2ccccc12 754738032 ZASJQRAWDMOXOC-CYBMUJFWSA-N 322.433 4.632 30 20 DJED O=C(/C=C/c1ccc(C(F)(F)F)s1)c1ccc2c(c1)COC2 761477787 ACQBMISAHLVJKD-HWKANZROSA-N 324.323 4.693 30 20 DJED N#C[C@@H]1CCC[C@H](Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 765942049 UTTJGFVXPPHNKJ-CABCVRRESA-N 312.413 4.612 30 20 DJED Cc1cc(CN[C@H](C)c2csc3ccccc23)ccc1C#N 767689186 LHTGQPVTZDBQIF-CQSZACIVSA-N 306.434 4.932 30 20 DJED O=C(/C=C/C1=Cc2cc(Cl)cc(Cl)c2OC1)c1ccco1 769772366 YJNHJHXCDTXETR-ONEGZZNKSA-N 321.159 4.801 30 20 DJED C#CCCCCC(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 773233850 YEOFRPHZNNRFON-LBPRGKRZSA-N 312.240 4.706 30 20 DJED C=CCN(C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)C(C)C 775186004 YSKGWVGEGVDGAU-NSHDSACASA-N 315.244 4.660 30 20 DJED C[C@H](NCCC(C)(C)c1ccccc1)c1ccc(OCC#N)cc1 776154847 DLZGVYCOPHNVBX-KRWDZBQOSA-N 322.452 4.607 30 20 DJED Cc1cccc2sc(C(=O)OCC(C)(C)C#N)c(Cl)c12 781470113 RKXDQVHFFDHKLZ-UHFFFAOYSA-N 307.802 4.570 30 20 DJED CCOc1ccc(/C=C/C(=O)c2csc(Cl)c2)cc1OC 787186665 RBBGZIATVJYROV-GQCTYLIASA-N 322.813 4.705 30 20 DJED N#CC[C@H](CC(=O)Oc1ccc2ccccc2c1)c1ccccc1 792867855 OMNCTZKKVJKBDW-LJQANCHMSA-N 315.372 4.833 30 20 DJED C=CCCCCCCCNC(=O)Nc1scnc1C1CC1 809885256 WFAONGSNDWDJOP-UHFFFAOYSA-N 307.463 4.669 30 20 DJED N#Cc1c(Cl)nsc1Oc1cncc(-c2ccccc2)c1 811847859 HQBJIGOQBQUJMK-UHFFFAOYSA-N 313.769 4.522 30 20 DJED CC(C)C[C@H](C)N(C(=O)CCCC#N)c1ccc2[nH]ccc2c1 812960925 LAQVZQDFPURXQR-HNNXBMFYSA-N 311.429 4.629 30 20 DJED CCSc1cc(Cl)ccc1C(=O)O[C@H]1CCC[C@H](C#N)C1 1129724489 IANYSNMKCMEJMQ-AAEUAGOBSA-N 323.845 4.691 30 20 DJED C[C@H](CCC(C)(C)C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1129977620 YQZDUWCKLOTWPK-RDTXWAMCSA-N 312.457 4.514 30 20 DJED Cc1cc(Nc2ccc(OCC3CCCCC3)cc2)ncc1C#N 1162314415 UUXKNOCWPCYOPB-UHFFFAOYSA-N 321.424 4.964 30 20 DJED CCN(C[C@@H]1C[C@H]1c1ccccc1)[C@H](C)c1ccc(C#N)cc1 1180194575 HJHXGHGZYUXPQN-CZAAIQMYSA-N 304.437 4.745 30 20 DJED Cc1cc(C)c(/C=C\CNc2ccc(F)cc2OCC#N)cc1C 1180724051 TWYZCZHSWIRATO-PLNGDYQASA-N 324.399 4.779 30 20 DJED COc1c(C)cnc(CSCCCCC(C)(C)C#N)c1C 1255889568 GJELTVUGSOTSET-UHFFFAOYSA-N 306.475 4.660 30 20 DJED CC[C@H]1CCCC[C@@H]1C(=O)N(CC(C)C)c1ccc(C#N)cc1 1264413347 XUGJYLCZKZQVLE-HKUYNNGSSA-N 312.457 4.764 30 20 DJED Cc1ccc(N(CCC#N)C(=O)CC(C2CCC2)C2CCC2)cc1 1292456454 PTMSXLKSZLCDHK-UHFFFAOYSA-N 324.468 4.848 30 20 DJED C[C@@H]1CCN(CCC2(C#N)CCCCC2)[C@@H](c2ccco2)C1 1307493347 JKVNPDLYCHVTNW-IAGOWNOFSA-N 300.446 4.917 30 20 DJED CC(C)[C@@H]1C[C@H](NCc2cccc(OCC#N)c2)c2ccccc21 1322119480 IJCOLHNPXBGDFT-SFTDATJTSA-N 320.436 4.563 30 20 DJED CC(C)(C#N)CC(=O)Nc1ccc(SC(C)(C)C)c(F)c1 1330789221 IMTFSUMGEWZOCI-UHFFFAOYSA-N 308.422 4.595 30 20 DJED CCCCN(Cc1ccc(C#N)cc1F)[C@H]1CCC[C@H](C)C1 1462280495 CBYMEVUPCPPVNM-YJBOKZPZSA-N 302.437 4.878 30 20 DJED Cc1cccc(C(C)(C)CNc2nc(C(C)(C)C)ccc2C#N)c1 1472674164 DYEOKOUZAGJIRU-UHFFFAOYSA-N 321.468 4.949 30 20 DJED C[C@H](Cc1ccc(C(F)(F)F)cc1)Nc1cccc(F)c1C#N 1472687196 WUWBBORWOJTLPR-LLVKDONJSA-N 322.305 4.759 30 20 DJED Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2sc(C)c(C)c2C#N)cc1C 1529478051 XZRHOCBSYVNSFG-JKSUJKDBSA-N 324.449 4.596 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)CCCC2 1560897683 JJBZBGRDVFFEJS-INIZCTEOSA-N 304.437 4.630 30 20 DJED CCC[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)C1CCCC1 1562491771 PRKNFWHUPCWXHC-OAHLLOKOSA-N 319.836 4.692 30 20 DJED CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H](C#N)CC 1635873024 UZFFOICXGWXDHV-YOEHRIQHSA-N 320.864 4.825 30 20 DJED CC[C@@H](C#N)Sc1nc2ccccc2n1CCc1ccccc1 1643461529 ZXEWEPHEEMYDEK-INIZCTEOSA-N 321.449 4.673 30 20 DJED Cc1nc(SC[C@H](C)c2ccccc2)c(Cl)cc1C#N 1651821929 KUFHVUPOKKAKFO-NSHDSACASA-N 302.830 4.811 30 20 DJED C=C(Br)CN(CC1CCC1)[C@@H](C)c1ccccc1 1652543110 HURUPUFYSHEYRH-AWEZNQCLSA-N 308.263 4.758 30 20 DJED C[C@]1(c2ccccc2)CCCN(Cc2ccc(Cl)cc2C#N)C1 1657293854 QGZUPFLQJQIWFD-FQEVSTJZSA-N 324.855 4.765 30 20 DJED CCSCc1ccc(NC2CC(C#N)(c3ccccc3)C2)cc1 1659813051 UQVRXMFJAXNSHP-UHFFFAOYSA-N 322.477 4.976 30 20 DJED N#Cc1ccc(NC(=O)Nc2ccc(C3CCC3)cc2)cc1F 1672586516 ICOSHJZMDLOJPW-UHFFFAOYSA-N 309.344 4.609 30 20 DJED Cc1ccc(C)c(NN=Cc2csc3ccc(C(=O)O)cc23)c1 1776029606 GEDSOSMAOIWPEZ-UHFFFAOYSA-N 324.405 4.662 30 20 DJED CC(C)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 514067 NSPYNIJQINMJEJ-UHFFFAOYSA-N 324.449 4.874 30 20 DJED C=CCN(C(=O)CCc1ccc(Cl)s1)c1ccccc1 107858201 WPQWBNAGZUWWLW-UHFFFAOYSA-N 305.830 4.553 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)C1CCCCCC1 108981874 XWTGCTCEZQYCIZ-CQSZACIVSA-N 316.470 4.990 30 20 DJED CC(C)(C)c1ccccc1NC(=O)CSc1cccc(C#N)c1 158808055 ORUFMVJCLHTGJW-UHFFFAOYSA-N 324.449 4.587 30 20 DJED CC(C)(C#N)c1ccccc1CNc1cc(F)c(F)cc1F 180407138 HPOYXAYTGYILEW-UHFFFAOYSA-N 304.315 4.517 30 20 DJED C[C@@H](N[C@H](C)c1nc(C(C)(C)C)cs1)c1cccc(C#N)c1 181719207 IAMBDGQJGLUKCB-CHWSQXEVSA-N 313.470 4.724 30 20 DJED C[C@H](CC#N)N(C)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 255126432 VSQAJUOWLSSDFS-CQSZACIVSA-N 321.384 4.868 30 20 DJED C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2ccc(Cl)cc2)cc1 255695080 GNTGSQXWKBKYNV-XFVCYKSVSA-N 311.768 4.527 30 20 DJED COc1ccc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)cc1C 273001054 XQZFRUAFKUQNNI-APWZRJJASA-N 308.425 4.699 30 20 DJED Cc1cccnc1[C@@H]1CCC[C@@H](Nc2ccc(CC#N)cc2)C1 281221201 KLBZCCZFGQTQIN-IEBWSBKVSA-N 305.425 4.594 30 20 DJED N#Cc1c(Cl)nsc1N1CCC[C@H]1c1ccccc1Cl 301533986 MAZMVRZTKWRQEQ-LBPRGKRZSA-N 324.236 4.663 30 20 DJED Cc1csc(C(C)(C)/N=C(/O)c2cc(C(C)C)oc2C)n1 330601868 DVUOTXZRKMZOQU-UHFFFAOYSA-N 306.431 4.716 30 20 DJED C=CCC[C@H](NCC1(C#N)CC1)c1ccc(C(F)(F)F)cc1 343586153 PKEQCCQEVZTNNP-HNNXBMFYSA-N 308.347 4.606 30 20 DJED C=CCC[C@H](NC(=O)c1ccc2oc(C)nc2c1)c1ccccc1 348344193 QQLQGNDEHJCBSM-KRWDZBQOSA-N 320.392 4.574 30 20 DJED Cc1ccc(SC2(CN[C@@H]3CC[C@@H](C#N)C3)CCCC2)cc1 442794341 RWZSAWYFEVNXET-IAGOWNOFSA-N 314.498 4.682 30 20 DJED CC(C)(C#N)CCCN[C@@H](Cc1ccccc1)c1ccccc1 471718124 TVFHMUVVAVLWBV-FQEVSTJZSA-N 306.453 4.890 30 20 DJED C=CCCC1(C(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)CC1 476238950 QLRDEBUCQNEVPL-MRXNPFEDSA-N 320.436 4.672 30 20 DJED C=C(C)CCc1noc(C2(c3cccc(C(F)(F)F)c3)CC2)n1 508686398 MGXJNWRHBULKPR-UHFFFAOYSA-N 322.330 4.677 30 20 DJED C=CCN(C(=O)[C@H](C)c1ccc(Cl)s1)c1ccccc1 531179432 BOFJYAKKYQCXDI-GFCCVEGCSA-N 305.830 4.724 30 20 DJED CC(C)(C)[C@@H](NCc1cccc(C#N)c1F)c1cccc(F)c1 540428352 RVDNTHILOQGVKN-SFHVURJKSA-N 314.379 4.713 30 20 DJED C[C@@H](C#N)CSc1ccccc1NCc1ccc(CC#N)cc1 541303829 LPQMFCBXUBMCPH-HNNXBMFYSA-N 321.449 4.617 30 20 DJED C[C@H](CNCC1CCC(C#N)CC1)c1ccc(C(F)(F)F)cc1 561957321 PZNNHWJDJXMXFI-WLYUNCDWSA-N 324.390 4.728 30 20 DJED Cc1ccc(N[C@@H](C#N)Cc2ccccc2)cc1C(F)(F)F 589848206 WQESHXNZJCSBLO-OAHLLOKOSA-N 304.315 4.561 30 20 DJED CCN(Cc1cccc(-c2ccncc2)c1)C[C@H](C)CCC#N 602661074 CQTIZTRSJCSDOA-QGZVFWFLSA-N 307.441 4.510 30 20 DJED C=CCN(C(=O)c1ccc(-c2ccsc2)nc1C)C(C)(C)C 622943935 XRNTXDRRLJLDRR-UHFFFAOYSA-N 314.454 4.545 30 20 DJED CC(C)Oc1ccc(C(=O)/C=C/c2cc(F)c(F)c(F)c2)cc1 727974212 IJYAQCIIBCCWQI-FPYGCLRLSA-N 320.310 4.787 30 20 DJED CCCCC[C@H](NC(=O)Cc1ccc(C#N)cc1)c1ccccc1 728007238 GTPHBIHWZQMYTC-FQEVSTJZSA-N 320.436 4.539 30 20 DJED O=C(/C=C/c1ccc(O)c(Cl)c1)c1ccccc1OC(F)F 728694823 KQFMPPMEWYSPFT-FNORWQNLSA-N 324.710 4.543 30 20 DJED COc1cc(/C=C/C(=O)c2sccc2C)ccc1SC 733749274 IDEMQPTWHHJLSF-GQCTYLIASA-N 304.436 4.683 30 20 DJED CCOc1ccc(Cl)cc1C(C)=NNc1ccc(Cl)nc1 743451043 YJZCQSVWTVQQQT-UHFFFAOYSA-N 324.211 4.623 30 20 DJED CC[C@H](C#N)OC(=O)c1sc2cc(Cl)ccc2c1Cl 753414391 WUQJHHUXGNPFSQ-MRVPVSSYSA-N 314.193 4.667 30 20 DJED COc1cccc2cc(/C=C\C(=O)c3cc(F)cc(F)c3)oc12 755705160 NEVLFFXYFSVNRE-WAYWQWQTSA-N 314.287 4.616 30 20 DJED C#CC[C@@H](N[C@@H](C)c1ccc(SC)c(F)c1)c1ccccc1 773113605 DIMSUKHAHGNYDR-KBXCAEBGSA-N 313.441 4.963 30 20 DJED C[C@H](Nc1cccc(COCC2CC2)c1)c1ccc(C#N)c(F)c1 776889424 QOJBDHXTAHIZQC-AWEZNQCLSA-N 324.399 4.797 30 20 DJED O=C(/C=C/c1cc(Cl)cs1)c1c(Cl)nc2ccccn12 782342961 SZKXSWDXZURYIF-SNAWJCMRSA-N 323.204 4.599 30 20 DJED CC(C)(C#N)c1ccc(C(=O)OCc2sccc2Cl)cc1 796914906 POFZYYLBQGOCSY-UHFFFAOYSA-N 319.813 4.560 30 20 DJED N#Cc1sc(N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)nc1Cl 804680407 PTICNCFLWHTWLU-PWSUYJOCSA-N 321.808 4.555 30 20 DJED CCOc1cccc(C=Nc2ccc3oc(C(C)C)nc3c2)c1O 914703210 RMPLYCBWRNFBGD-UHFFFAOYSA-N 324.380 4.806 30 20 DJED Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc(Oc2ccccc2)cc1 915983746 GZPGVAYAFWVGJG-SEYXRHQNSA-N 318.376 4.715 30 20 DJED CCCC[C@@H](CC)CC(=O)Nc1cc(C#N)ccc1OC(C)C 1125398484 JTPVNHGZCKPBJX-OAHLLOKOSA-N 316.445 4.890 30 20 DJED Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2cccc(C#N)c2F)o1 1167517526 QOMKRKDTDFLFIW-DYVFJYSZSA-N 312.388 4.572 30 20 DJED N#Cc1ccc(F)c(CN[C@H]2CCCC[C@H](c3ccccc3)C2)c1 1179592908 KPMUOWDNHLOZKF-ICSRJNTNSA-N 322.427 4.903 30 20 DJED Cc1ccnc(N(Cc2ccc3ccccc3c2)C2CC2)c1C#N 1306941873 LWGRIQWUMRTLQJ-UHFFFAOYSA-N 313.404 4.584 30 20 DJED CCc1ccccc1CSc1nc2c(cc1C#N)CCCC2 1307287073 ZGMGRTWCDZTMOR-UHFFFAOYSA-N 308.450 4.687 30 20 DJED C=C(C)[C@H](NCc1ccc(F)c(OC)c1)c1ccc(F)c(F)c1 1321387138 PHDXXEBHEUWWME-SFHVURJKSA-N 321.342 4.520 30 20 DJED C[C@@H]1CCc2c(sc(NC(=O)C[C@H]3CCC[C@H]3C)c2C#N)C1 1349230607 SKWMDRBARDEPIC-JHJVBQTASA-N 316.470 4.509 30 20 DJED C[C@H]1CC[C@H](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 1349234185 IJCAYIKKPXFYKZ-STQMWFEESA-N 316.470 4.653 30 20 DJED N#Cc1cccc(NC(=O)c2ccc3c(c2)oc2ccccc23)c1 1354253143 BYCYCTSLTJFABR-UHFFFAOYSA-N 312.328 4.710 30 20 DJED C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc2ccsc12 1357343347 WADOGOUMZHLRLA-CYBMUJFWSA-N 320.417 4.590 30 20 DJED CCC[C@H](C)C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@@H](C)CC2 1436545315 CKLSIRSWOYAFDS-SDDRHHMPSA-N 304.459 4.680 30 20 DJED N#C[C@@H]1CCC[C@@H](OC(=O)c2cc3c(s2)CCCCCC3)C1 1436650255 WXGRIFMGPYZXHV-UKRRQHHQSA-N 317.454 4.646 30 20 DJED CCc1ccc2ccccc2c1CNC1CCC(C)(C#N)CC1 1461753330 JMFZQPVHDUXMMF-UHFFFAOYSA-N 306.453 4.964 30 20 DJED CC(C)[C@@H](C)N(C(=O)CC1(C#N)CCCCC1)c1ccccc1 1462768746 MAYOQTZSFPIANG-QGZVFWFLSA-N 312.457 4.928 30 20 DJED CC[C@H](C)c1ccc([C@@H](Nc2cncc(C#N)n2)C(C)C)cc1 1472644770 PLBBBLGDFLICAP-LIRRHRJNSA-N 308.429 4.671 30 20 DJED CC[C@@H](C)CC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1529907895 WRCPUYWNXWRQNB-CQSZACIVSA-N 308.381 4.725 30 20 DJED Cc1cccc(-c2cccc(C(=O)O[C@H]3CCC[C@H](C#N)C3)c2)c1 1535478465 DLVZJMQYVCYXGV-JXFKEZNVSA-N 319.404 4.901 30 20 DJED CC(C)c1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1Cl 1535479023 KMLIARCBTJWJNQ-GXTWGEPZSA-N 305.805 4.703 30 20 DJED C[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2C#N)[C@H]1C 1559617723 NKDSBHQOEACHOW-STQMWFEESA-N 312.413 4.587 30 20 DJED C=C(CNC(=O)[C@H](c1ccccc1)[C@H](C)CC)c1ccccc1 1583132366 CKWHEVNAJVGUTB-UZLBHIALSA-N 307.437 4.646 30 20 DJED CC(C)(C)c1ccc(C#N)c(NCc2cnccc2C(C)(C)C)n1 1640025849 UYCYVHFDKNNXBA-UHFFFAOYSA-N 322.456 4.555 30 20 DJED CCOc1cccc2cc([C@@H](C)Nc3cc(C)c(C#N)cn3)oc12 1651318966 SRADYUDVFYZEFB-CYBMUJFWSA-N 321.380 4.580 30 20 DJED CC(C)CN(CCc1ccc(F)c(F)c1)c1ccc(C#N)cc1 1652787293 BYNHLDOQCCGQOM-UHFFFAOYSA-N 314.379 4.542 30 20 DJED Cc1ccc(CN(Cc2cccc(C#N)c2F)C(C)(C)C)cc1 1655144527 WYRGCUMENQKYBO-UHFFFAOYSA-N 310.416 4.807 30 20 DJED Cc1cc(C)c2c(c1)CN(Cc1ccccc1C(C)(C)C#N)CC2 1658303940 LGJCXKOJDAOPHF-UHFFFAOYSA-N 318.464 4.663 30 20 DJED N#Cc1ccc(CN[C@H](c2ccccc2)c2cccc(F)c2)cc1 88536498 QIYXNTQIBGWQQR-OAQYLSRUSA-N 316.379 4.577 30 20 DJED C=C(C)[C@H](NCc1ccc(C#N)cc1C)c1ccc(F)c(F)c1 186336892 MALXAQWCMCFAMT-IBGZPJMESA-N 312.363 4.552 30 20 DJED CC(C)(C#N)c1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1 280130442 DHXVJIXVEYXZMC-INIZCTEOSA-N 324.449 4.527 30 20 DJED CC(C)c1ccoc1/C(O)=N/C[C@@H]1CCCO[C@@H]1C(C)(C)C 330478016 JZQOANSTLAPDTK-BBRMVZONSA-N 307.434 4.549 30 20 DJED Cc1ccc2oc(CN(CCCC#N)Cc3ccco3)cc2c1 352233230 BBICWKWSUJNTOX-UHFFFAOYSA-N 308.381 4.640 30 20 DJED CC(C)(C#N)CCCN1CCCC[C@H]1c1nc2ccccc2o1 360034584 DMVLVSCONFHVNU-INIZCTEOSA-N 311.429 4.685 30 20 DJED C=CCCc1ccccc1NC(=O)C[C@@H](OCC)C1=CCCC1 410377176 YGWAWVHAKXHXCC-LJQANCHMSA-N 313.441 4.649 30 20 DJED N#C[C@H]1CCC[C@H](N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 436299661 GXFAXILRAJUTQL-CSFVBSKPSA-N 322.374 4.623 30 20 DJED C[C@H]1C[C@@H](c2ccccc2F)N(CCCCC(C)(C)C#N)C1 444652658 SDPAVRPCZWJCQD-YJBOKZPZSA-N 302.437 4.929 30 20 DJED CC(C)(CCC#N)CN[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 449330421 LCSJBXFUUJWEIE-RDJZCZTQSA-N 304.865 4.896 30 20 DJED C=CC[C@H](CC)NC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 466326500 SHJRQGVUZDPCGK-JKSUJKDBSA-N 306.837 4.541 30 20 DJED C=CCC(CC=C)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 467833436 ZJTQGRKTHPWUPD-LBPRGKRZSA-N 311.347 4.651 30 20 DJED C=CC[C@@H]1N(C(=O)CCc2ccc3[nH]ccc3c2)CCCC1(C)C 470307157 HMNBDXFTAHAACI-IBGZPJMESA-N 324.468 4.694 30 20 DJED C=CC1CCN(C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)CC1 476297259 QITVCMGRYFJUSF-SFHVURJKSA-N 314.473 4.772 30 20 DJED C=CCC[C@@H](CC)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1 494482340 KRCHZXAAUWORHX-MRXNPFEDSA-N 302.462 4.632 30 20 DJED C=C[C@H](CC(=O)N[C@@H](C)c1cccc(F)c1F)c1ccccc1 500155341 ORGJPQAGXLVADM-UONOGXRCSA-N 315.363 4.502 30 20 DJED C=CCc1ccccc1OCc1coc(-c2cccc(F)c2)n1 502127957 UBSLZCJMLBRKLE-UHFFFAOYSA-N 309.340 4.788 30 20 DJED N#Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 516341763 BXIHICLOHYQDLN-UHFFFAOYSA-N 322.383 4.538 30 20 DJED C[C@@H](N[C@H](c1cccs1)C1CC1)c1ccc(C#N)c(F)c1 540707672 CBXAXEFDRVYBLV-DIFFPNOSSA-N 300.402 4.561 30 20 DJED C=CCSc1ccccc1C(=O)Nc1cccc2cc[nH]c12 547946065 JAJQEOQGONDXQO-UHFFFAOYSA-N 308.406 4.698 30 20 DJED CC(C)(c1noc(CCCCCC#N)n1)c1ccccc1Cl 589151299 FOZUUGUYJGYTTD-UHFFFAOYSA-N 317.820 4.675 30 20 DJED C=CCN(Cc1cccs1)C(=O)N[C@H]1CCC[C@H]1CCCC 590175415 VSMFCCHRYJAYIE-WBVHZDCISA-N 320.502 4.805 30 20 DJED C[C@@H](CCC#N)CN(Cc1cccs1)Cc1cccs1 602433909 UIHXZWINUKROGC-AWEZNQCLSA-N 304.484 4.752 30 20 DJED N#Cc1cc(Cl)ccc1NCc1ccc(-c2ccncc2)cc1 610077273 MQCZAJPKFXCGQJ-UHFFFAOYSA-N 319.795 4.886 30 20 DJED Cc1ccc(-n2cc(C)cn2)c(N[C@@H](C)c2cccc(C#N)c2)c1 611476735 KMABLWRUBYORTI-INIZCTEOSA-N 316.408 4.534 30 20 DJED N#CCOc1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 730149960 NFUMTKMJBWETLB-XBXARRHUSA-N 320.779 4.961 30 20 DJED COc1ccc(Cl)cc1C(=O)/C=C/c1c(F)cccc1F 730584794 CDFUASLXHLRIIN-VOTSOKGWSA-N 308.711 4.523 30 20 DJED N#CCOc1ccc(CN2CCC[C@@H]2CC2CCCCC2)cc1 731211948 KFGPOCAYXIOPLG-LJQANCHMSA-N 312.457 4.524 30 20 DJED C#CCN(Cn1ccc(=S)c2ccccc21)C1CCCCC1 731661575 PHRMPSFQIHBPLD-UHFFFAOYSA-N 310.466 4.596 30 20 DJED CCN(CC#N)C(=O)c1sc2cc(C(C)C)ccc2c1Cl 732636058 INDCYCJQNCJARO-UHFFFAOYSA-N 320.845 4.664 30 20 DJED CSc1ccc(C(=O)/C=C/c2cccc(F)c2F)cc1F 741848121 WGAAOTHOIWSLBW-FNORWQNLSA-N 308.324 4.722 30 20 DJED CCCCn1nc(C)c(/C=C\C(=O)c2ccsc2)c1Cl 749102608 VXTNGBPVMGCKJC-WAYWQWQTSA-N 308.834 4.603 30 20 DJED CCc1ncc(C=NN(Cc2ccccc2)c2ccccc2)s1 752158003 SCYBJYKGOZYCKO-UHFFFAOYSA-N 321.449 4.746 30 20 DJED CC(C)c1ncc(/C=C/C(=O)c2c[nH]c3cc(F)ccc23)s1 758432503 BSDRQYYXOIUXGS-GQCTYLIASA-N 314.385 4.783 30 20 DJED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2=CCCCC2)cc1 782279760 FNHZPIREZGBWKM-FQEVSTJZSA-N 316.404 4.781 30 20 DJED C=C[C@H](CC(=O)OCc1ncc(C(C)C)s1)c1ccccc1 783491699 DIFKKUSCMGRGDG-CQSZACIVSA-N 315.438 4.670 30 20 DJED C[C@H](C#N)Oc1ccccc1NC[C@H](C)c1cccc(Cl)c1 783665587 YKFLILYPKMFMTC-UONOGXRCSA-N 314.816 4.846 30 20 DJED CC(C)[C@@H](C=NNc1ncnc2sccc12)c1ccccc1 794479583 YFNXTYPICAZLSO-OAHLLOKOSA-N 310.426 4.529 30 20 DJED FCC[C@@H]1CCCC1=NNc1nc(Cl)c(Cl)cc1Cl 794874113 YODAPBZEHDVSOX-ZETCQYMHSA-N 324.614 4.969 30 20 DJED Cc1cc(/C=C\C(=O)c2c(F)cccc2Cl)cc(C)c1O 809158680 BYFLVXBVSNSIFB-SREVYHEPSA-N 304.748 4.698 30 20 DJED C=CCC(F)(F)C(=O)N1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 815667289 DQTIZEBHQWJDOW-ZBFHGGJFSA-N 307.384 4.506 30 20 DJED N#CC1(CC(=O)Nc2cccc(SC(F)F)c2)CCCCC1 825680360 DVGIDHCSSQACIR-UHFFFAOYSA-N 324.396 4.804 30 20 DJED O=C(/C=C\c1ccc(-c2ccccc2)s1)c1ccnc(F)c1 1117103194 VHIFORNJAIUQSO-VURMDHGXSA-N 309.365 4.845 30 20 DJED CCCC[C@@H](CC)CCCN(C)C(=O)c1cccc(C#N)c1C 1131220313 KEBYMXNZMKCAAY-QGZVFWFLSA-N 314.473 4.935 30 20 DJED CC(C)N(CCC1(C#N)CCCCC1)Cc1cccc(F)c1 1167162877 DLVJVSDQBPDIMB-UHFFFAOYSA-N 302.437 4.900 30 20 DJED C[C@@H](CCc1ccsc1)N[C@H]1CCCc2cc(C#N)ccc21 1182433978 MIWKGBNYBKHEFE-LIRRHRJNSA-N 310.466 4.608 30 20 DJED C[C@@H](CCC#N)CN[C@@H](c1ccc(F)cc1)C1CCCCC1 1207143362 VOQHYXNWOVBUSV-HNAYVOBHSA-N 302.437 4.977 30 20 DJED C=C(CNC(=O)NCC1(CC(C)C)CCCC1)c1ccccc1 1223557346 XELBVNAVQIDKKX-UHFFFAOYSA-N 314.473 4.606 30 20 DJED C[C@@]1(Cc2ccccc2)CCCN1Cc1ccc(Cl)cc1C#N 1307654624 GOICKEFHMQHWEA-FQEVSTJZSA-N 324.855 4.809 30 20 DJED CSc1ccccc1C(=O)/C=C\c1ccc2cnccc2c1 1322614714 MWOPENDVQIDMNG-CLFYSBASSA-N 305.402 4.853 30 20 DJED CSc1ccccc1C(=O)/C=C/c1cnc(C(C)C)s1 1327031291 LDEBTZYNUQRCKX-CMDGGOBGSA-N 303.452 4.885 30 20 DJED CC[C@H](c1ccccc1)N(C(=O)c1ccc(C#N)cc1F)C(C)C 1437962868 CGFNUIPMRFGMMV-LJQANCHMSA-N 324.399 4.699 30 20 DJED Cc1ccc(C)c([C@@H](C)OC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c1 1458563772 VEPZIWRHWKJQJG-DLBZAZTESA-N 321.420 4.658 30 20 DJED CC1(C)CC(NCc2ccc(C#N)c(Cl)c2)CC(C)(C)C1 1461480663 YXQVWHVDJDYLIZ-UHFFFAOYSA-N 304.865 4.906 30 20 DJED N#Cc1cccc(Sc2ccc(Cl)c(C(F)(F)F)c2)n1 1472637088 HPFNLZHSSPKCPL-UHFFFAOYSA-N 314.719 4.777 30 20 DJED C[C@H](CCC(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 1523659330 UGGDRPDZIPRIKI-CYBMUJFWSA-N 312.800 4.734 30 20 DJED CCC[C@@H]1CCC[C@@H]1C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 1533970430 PZICKOGOCQKRDQ-LZQZEXGQSA-N 312.457 4.684 30 20 DJED CC1(C)CCC(C)(CNC(=O)c2ccc(Cl)c(C#N)c2)CC1 1583973824 MGMSSDJQMPHZGJ-UHFFFAOYSA-N 318.848 4.548 30 20 DJED N#Cc1cccc(N(C(=O)CCCc2cccs2)C2CCC2)c1 1586228261 MIOIMAVBDNVJTI-UHFFFAOYSA-N 324.449 4.528 30 20 DJED N#C[C@H]1CCC[C@H](OC(=O)CCCc2ccc3ccccc3c2)C1 1596977229 FRSHPHIAMRTXTA-PXNSSMCTSA-N 321.420 4.788 30 20 DJED Cc1cc(N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)ncc1C#N 1612487232 BEMHTZHQXZTMBP-RHSMWYFYSA-N 311.816 4.663 30 20 DJED Cc1cc(SCc2nnc(-c3ccccc3)s2)ccc1C#N 1641223602 ZIXZGTSOAVACJH-UHFFFAOYSA-N 323.446 4.678 30 20 DJED CCCN(c1nccc(C)c1C#N)[C@@H](C)c1cc2ccccc2o1 1651424918 WHDFLZBOPYFJKZ-HNNXBMFYSA-N 319.408 4.986 30 20 DJED CCCN(c1cc(C)c(C#N)cn1)[C@H](C)c1cc2ccccc2o1 1655024332 BOICMIHWAPOLOH-OAHLLOKOSA-N 319.408 4.986 30 20 DJED CC[C@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(C#N)c(Cl)c1 1657862219 LGHCFZVKAVVHNA-BLLLJJGKSA-N 319.836 4.644 30 20 DJED N#Cc1ccc2c(c1)N(Cc1ccc(-c3cccs3)cc1)CC2 1658109847 VWXSXSKJISXXFZ-UHFFFAOYSA-N 316.429 4.849 30 20 DJED CC(C)(C)Sc1ccc(NCc2cccc(C#N)n2)cc1F 1658186413 PPENFNJLCUDGSV-UHFFFAOYSA-N 315.417 4.595 30 20 DJED CC[C@H](C)c1ccc(/C=C\C(=O)c2csc(C(=O)O)c2)cc1 1776698374 MGKLVXFMESCELS-PWWFUAJNSA-N 314.406 4.856 30 20 DJED CCCCc1ccc(C(=O)/C=C\c2cc(C(=O)O)cs2)cc1 1776806016 SRANFZFVSRGTBS-KTKRTIGZSA-N 314.406 4.685 30 20 DJED Cc1ccc(C(=O)/C=C/c2ccccc2Br)cc1 20357408 ZGNHNULUOJGNCS-ZHACJKMWSA-N 301.183 4.654 30 20 DJED C=CCOc1ccc(CN[C@H](C)c2ccc(Cl)cc2)cc1 21812093 MAKVNQRWBXXWOK-CQSZACIVSA-N 301.817 4.756 30 20 DJED N#Cc1ccccc1CNc1ccc(Br)cc1Cl 37388830 FNVHWSPYMLSLAS-UHFFFAOYSA-N 321.605 4.586 30 20 DJED N#CCC[C@H](NCc1ccc(C(F)(F)F)cc1)c1ccccc1 130408947 XBGSBWYKGJNWND-KRWDZBQOSA-N 318.342 4.840 30 20 DJED Cc1ccc(N[C@H](C)c2cccc(C#N)c2)cc1-c1ncco1 180005176 QLHIUHIANCCSAK-CQSZACIVSA-N 303.365 4.695 30 20 DJED Cc1ccc(-c2ccc(C(=O)Nc3ccc(CC#N)cc3)s2)o1 180595407 MEYSVWBXQZCAEA-UHFFFAOYSA-N 322.389 4.635 30 20 DJED Cc1cc(F)ccc1CNc1ccccc1SC[C@H](C)C#N 181848027 QCGWTNVWNOGHSG-CYBMUJFWSA-N 314.429 4.998 30 20 DJED C#Cc1cccc(NC(=O)c2oc3ccc(Cl)cc3c2C)c1 253598894 HAOYLDZLQVELGQ-UHFFFAOYSA-N 309.752 4.628 30 20 DJED CN(C)C(=O)Sc1cccc(CSCCC(C)(C)C#N)c1 276676753 ZXWXQSQZHHDZGH-UHFFFAOYSA-N 322.499 4.633 30 20 DJED CC(C)=CCCNC(=O)Nc1ccccc1S[C@H](C)CC#N 277037198 SREQVZVIHOLJQP-CQSZACIVSA-N 317.458 4.559 30 20 DJED CC[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(C)cc1O 280095485 MSQFJDFTUDWGBY-MOPGFXCFSA-N 308.425 4.786 30 20 DJED CC(C)(C)OC(=O)Nc1ccccc1NCc1ccc(C#N)cc1 283919486 HACSHWUIUHWJLF-UHFFFAOYSA-N 323.396 4.517 30 20 DJED Cc1ccc(SC2CCCC2)c(/C(O)=N/CC(C)(C)C#N)c1 330801298 HQNCLEGBHKAIIR-UHFFFAOYSA-N 316.470 4.884 30 20 DJED CCCc1cccc(C(C)C)c1N/C(O)=N/[C@@H]1CCC[C@@H]1C#N 330982711 ORSXMPKKYBRWFK-NVXWUHKLSA-N 313.445 4.781 30 20 DJED Cc1oc(-c2cccs2)nc1CSCC1(C#N)CCC1 419359508 KJSAVDWQPZOIQU-UHFFFAOYSA-N 304.440 4.639 30 20 DJED N#C[C@@H]1CN([C@@H]2CCc3ccc(Cl)cc32)C[C@H]1c1ccccc1 429021107 PAVLNUCUABZGEQ-LSTHTHJFSA-N 322.839 4.566 30 20 DJED CSc1ccc(Cl)cc1NCc1ccc(C#N)c(F)c1 479451741 KNZSQTYUNJRSPP-UHFFFAOYSA-N 306.793 4.685 30 20 DJED COCCCC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 479501014 WFOGTXDPAQRFIS-DYESRHJHSA-N 322.452 4.767 30 20 DJED C=CCN(C(=O)CCSc1ccc(C)cc1)c1ccccc1 484223562 TXUYCVWBBVLLTD-UHFFFAOYSA-N 311.450 4.696 30 20 DJED C=CCCCCCS[C@@H](C)C(=O)Nc1ccccc1OC 485569311 GGIRJFXPNKZJCG-AWEZNQCLSA-N 307.459 4.502 30 20 DJED C=CC[C@@H](C(=O)NCC(C)(C)c1cccs1)c1ccccc1 488855736 MEKFKSWAPGKCPC-MRXNPFEDSA-N 313.466 4.502 30 20 DJED C=CCN(Cc1cccs1)C(=O)CCc1ccc(C)cc1C 493775549 FJJPUIXELQKCRD-UHFFFAOYSA-N 313.466 4.512 30 20 DJED N#Cc1csc(CN2CCC[C@@H](c3ccc(F)cc3)CC2)c1 497140186 CKZUGOCXTTZCKC-OAHLLOKOSA-N 314.429 4.529 30 20 DJED C=CCN(Cc1coc(-c2ccc(C)cc2)n1)Cc1cccs1 506012728 QMNSNCIPCPKYAP-UHFFFAOYSA-N 324.449 4.900 30 20 DJED C=CCC(C)(C)C(=O)Nc1ccc(Oc2ccccc2F)nc1 508649690 HPAXSNMZJGSTHK-UHFFFAOYSA-N 314.360 4.554 30 20 DJED C=CCN(Cc1cccs1)C(=O)[C@H](CC)CC1CCCC1 513431955 MLCXLIQKUFPHGZ-MRXNPFEDSA-N 305.487 4.869 30 20 DJED C=C[C@H](CC(=O)Nc1cnccc1OC(C)(C)C)c1ccccc1 535437859 RHFZRMYOHCFRNO-OAHLLOKOSA-N 324.424 4.557 30 20 DJED C=CCOc1ccccc1CN[C@@H](c1ccc(C)o1)C1CCC1 541735204 RHFXZMOAYHYPLA-HXUWFJFHSA-N 311.425 4.784 30 20 DJED CCSCCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542015090 GBDSMJBUQOWMFJ-OAHLLOKOSA-N 310.466 4.629 30 20 DJED C=CCCN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 547749539 JQSGMPHTHXOPAJ-GFCCVEGCSA-N 311.269 4.865 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(SCCCCCF)n1 559982584 GLWWZZAUPUYGKG-UHFFFAOYSA-N 306.328 4.512 30 20 DJED N#C[C@@H]1CC[C@H](N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)C1 562764114 CLBVSBPFTVVIFJ-CXUGXGMPSA-N 322.374 4.623 30 20 DJED CC(C)[C@@H]1CN(C(=O)c2cc(C#N)ccc2Cl)c2ccccc21 572887040 IAEOOAXESYGYRQ-INIZCTEOSA-N 324.811 4.612 30 20 DJED CC(C)[C@](C)(Cc1ccc(Cl)cc1)N[C@@H]1CC[C@@H](C#N)C1 583276712 OBCIKSFHFOFYAJ-NXHRZFHOSA-N 304.865 4.579 30 20 DJED COc1ccc2oc([C@H](C)N[C@@H](C#N)c3ccccc3)c(C)c2c1 595429117 LRDJXGZJGQZADY-KSSFIOAISA-N 320.392 4.665 30 20 DJED CC[C@H](CC(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccc(C)cc1 610364751 UKWJVQOHGQDPAH-FUHWJXTLSA-N 320.436 4.628 30 20 DJED Clc1ccc(C=NOCc2cc(-c3ccccc3)on2)cc1 727432942 FXMNEPYIIKFLMI-UHFFFAOYSA-N 312.756 4.546 30 20 DJED CC(C)COc1ccc(C(=O)/C=C/c2cccnc2Cl)cc1 728700691 UCKQWKVBRWUTBC-JXMROGBWSA-N 315.800 4.666 30 20 DJED CCCCCCCCC(=O)N[C@](C)(CC)c1nc(C)cs1 741616899 RTNGVFLQMLOJBA-QGZVFWFLSA-N 310.507 4.944 30 20 DJED C=CCOCCCC(=O)O[C@@H](C)c1ccc(Cl)cc1Cl 744069701 KJULVJRFZOGTDU-NSHDSACASA-N 317.212 4.580 30 20 DJED CCCn1nc(C)c(/C=C/C(=O)c2ccc(Cl)s2)c1C 759654196 WTCRTKCAQVMIDI-AATRIKPKSA-N 308.834 4.521 30 20 DJED O=C1/C(=C/c2nccc3ccccc23)Cc2ccc(Cl)cc21 762448001 UFNOABQBBVITKH-GXDHUFHOSA-N 305.764 4.711 30 20 DJED N#CCOc1ccc(CSc2nc(-c3ccccc3)co2)cc1 767110322 RTAJFKVCQUPBNA-UHFFFAOYSA-N 322.389 4.536 30 20 DJED C#CCCCCC(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C 773425899 JCXVPDNGDPCQOX-LBPRGKRZSA-N 324.251 4.633 30 20 DJED Cc1cc(C#N)ccc1COC(=O)c1c(Cl)cccc1Cl 778050020 LWFQGDMTCCTOSW-UHFFFAOYSA-N 320.175 4.531 30 20 DJED C[C@H](C#N)Oc1ccccc1N[C@H]1CC[C@@](C)(c2ccccc2)C1 783291807 WRQZZEIHHIUHDR-PLMTUMEDSA-N 320.436 4.900 30 20 DJED C=C[C@H]1CCCCN1C(=O)N[C@@H](C)c1csc2ccccc12 787192898 FMFMKNCNFFNKGU-KBPBESRZSA-N 314.454 4.712 30 20 DJED CSc1ccc(C(=O)/C=C/c2ccnn2C(C)C)c(Cl)c1 794944298 AAMAJALZDNELPT-QPJJXVBHSA-N 320.845 4.735 30 20 DJED CC(=C/c1ccccc1C(F)(F)F)/C=C/C(=O)c1ccncc1 799889224 OCVNCCFYSBRDQR-BWLOLTEUSA-N 317.310 4.943 30 20 DJED CC(=NNc1ccc([N+](=O)[O-])cc1C)C1CCC(F)(F)CC1 807991410 XIWAOPWPYGZTTM-UHFFFAOYSA-N 311.332 4.517 30 20 DJED Cc1cc(C)c(NN=Cc2conc2Cc2ccccc2)c(C)c1 814861033 XWDPDMYCULWQRI-UHFFFAOYSA-N 319.408 4.637 30 20 DJED Fc1cc(Cl)c(NN=Cc2cccnc2Cl)c(Cl)c1 814890806 AQMRRMAGJDQBOI-UHFFFAOYSA-N 318.566 4.627 30 20 DJED CCCC[C@H](C(=O)[C@H](C#N)c1nc(C2CC2)cs1)C(C)C 857034299 ZADJAWOGGVZFKM-KBPBESRZSA-N 304.459 4.659 30 20 DJED CCCOc1ccc(N[C@H](C)c2ccc(OCC#N)cc2)cc1C 858568347 LIKCJHVXCAHNAA-MRXNPFEDSA-N 324.424 4.859 30 20 DJED Cc1c(NC[C@@H](C)CCC#N)cccc1NC(=O)OC(C)(C)C 877652156 CPZFGAYCDYTXSU-ZDUSSCGKSA-N 317.433 4.694 30 20 DJED CCCCCCCCCC(=O)N[C@H](C)c1ccc(C#N)cc1 914445811 FXGGVCQPQZRLNY-MRXNPFEDSA-N 300.446 4.876 30 20 DJED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)c1cccc(F)c1C#N 1162297413 MSUDUEDLGJNQID-NSHDSACASA-N 322.305 4.914 30 20 DJED Cc1c(Cl)cnc(N2CCC(C)(C)CC(C)(C)C2)c1C#N 1163700820 LHYLEGRPCWFFLI-UHFFFAOYSA-N 305.853 4.568 30 20 DJED CCC[C@H](Nc1nccc(Oc2cccc(C#N)c2)n1)C(C)(C)C 1186491898 MJMJLPTZGGTLCT-INIZCTEOSA-N 324.428 4.767 30 20 DJED CCC(CC)CN(CCC#N)C[C@H](O)c1cccc2ccccc12 1191367770 UOKGQUNGNHSFNZ-NRFANRHFSA-N 324.468 4.525 30 20 DJED CCc1ccc([C@H](NC(=O)Nc2cccc(C#N)c2)C(C)C)cc1 1310075886 ANCPXOXBPGNPDV-LJQANCHMSA-N 321.424 4.639 30 20 DJED CC[C@@H]1CCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)[C@H]1C 1310783654 OXXDLEXVHIQABP-NWDGAFQWSA-N 319.474 4.570 30 20 DJED CCN(C[C@H]1CCc2ccccc21)[C@H](C)c1ccc(C#N)cc1 1461957565 WVGYBRHOPJQPNJ-OXQOHEQNSA-N 304.437 4.671 30 20 DJED Cc1c(Cl)cnc(N2CCC[C@H]2CC2CCCCC2)c1C#N 1472675472 WUJIZLZQPLOBFF-HNNXBMFYSA-N 317.864 4.854 30 20 DJED Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CC2(C#N)CCCCC2)C1 1538838049 YFBTVIRUBGYPOA-ZWKOTPCHSA-N 324.468 4.564 30 20 DJED N#Cc1ccccc1-c1ccc(CSC[C@@H]2CCCO2)cc1 1559398182 JOAJMECBHQOGEW-SFHVURJKSA-N 309.434 4.637 30 20 DJED CC[C@H](CN1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccccc1 1560647541 ZIAQMHGQGYLNAB-STZQEDGTSA-N 318.464 4.952 30 20 DJED C[C@H](CNc1ccccc1O[C@H](C)C#N)CC1CCCCC1 1620873352 YGNWDQGPQFUTHN-JKSUJKDBSA-N 300.446 4.996 30 20 DJED Cc1cc(CN2CC[C@@H](C)Sc3ccccc32)ccc1C#N 1652456143 UFZBANIUTXXRQD-OAHLLOKOSA-N 308.450 4.758 30 20 DJED C[C@@H](CC#N)NCc1cc(F)ccc1Oc1ccc(Cl)cc1 1656872541 WEQSWMCOOGJJAB-LBPRGKRZSA-N 318.779 4.663 30 20 DJED Cc1cccc([C@@H]2CCCCN2CCc2ccc(C#N)cc2)c1C 1657407066 NOFSSWOHTVXEJY-QFIPXVFZSA-N 318.464 4.945 30 20 DJED CC(C)CCN(CCC(C)C)C(=O)Nc1cc(F)cc(C#N)c1 1673773620 QALQAMFHRCBLGC-UHFFFAOYSA-N 319.424 4.623 30 20 DJED Cc1csc(NC(=O)N2CCC(CCC(C)C)CC2)c1C#N 1677351543 PFWOAQFZDKVHDP-UHFFFAOYSA-N 319.474 4.608 30 20 DJED CC[C@@H](C)c1ccc(C(C)=NNc2ccccc2C(=O)O)cc1 1776031136 OFBGPVCLIGWIMT-CYBMUJFWSA-N 310.397 4.734 30 20 DJED C=CCCC1(C(=O)O)CCN([C@H](C)c2cccc(Cl)c2)CC1 1776168034 PYLCUGPIOVFYRO-CQSZACIVSA-N 321.848 4.534 30 20 DJED C=CCc1ccccc1OCC(=O)Nc1c(C)cccc1C(C)C 1284711 ULKDRNNVKSNECX-UHFFFAOYSA-N 323.436 4.864 30 20 DJED N#Cc1cccc(CN2CCC[C@H]2c2nc3ccccc3s2)c1 30965236 YQOPVZSTXNQEMN-KRWDZBQOSA-N 319.433 4.505 30 20 DJED O=C(/C=C\c1ccc(OC(F)F)cc1)c1cc2ccccc2o1 35377479 JNHVJVJKHZPJTQ-YFHOEESVSA-N 314.287 4.930 30 20 DJED C[C@@H](c1cc2ccccc2o1)N(C)Cc1cc(C#N)ccc1F 44089903 HPSKKSYLCNBYJK-ZDUSSCGKSA-N 308.356 4.637 30 20 DJED CSc1ccc(/C=C2/Cc3c(Cl)cccc3C2=O)cc1 49372166 CXRSXXBEKINXHF-XFXZXTDPSA-N 300.810 4.884 30 20 DJED N#Cc1ccccc1/C=C/C(=O)Nc1ccccc1-c1ccccc1 73142219 WKMDGZNOXQZQAV-CCEZHUSRSA-N 324.383 4.877 30 20 DJED CCOc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC 83194290 UNHTXQSBUMHHHW-CSKARUKUSA-N 310.393 4.607 30 20 DJED Cc1[nH]c2ccccc2c1C1=CCN(CCCC(C)(C)C#N)CC1 83202169 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4.504 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc2cc(Cl)ccc2o1 436308934 RDVDYCPOUHVQAP-VFVRVIDISA-N 319.832 4.718 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2scnc2C2CC2)CCCC1(C)C 444946846 ZIMCAHJGZJHKHQ-ZDUSSCGKSA-N 319.474 4.619 30 20 DJED C[C@H](C(=O)N1CCC[C@@H](C)c2ccccc21)c1cccc(C#N)c1 464370597 ZQXVLRQFWVFKRZ-CVEARBPZSA-N 318.420 4.592 30 20 DJED C=CCC(CC=C)C(=O)N(c1ccc(F)cc1Cl)C(C)C 468714245 LLICUONHVXQZFD-UHFFFAOYSA-N 309.812 4.989 30 20 DJED C=CCC1(C(=O)Nc2cc(-c3cccnc3)ccc2C)CCC1 477567329 CJKQAXFRBZPMAN-UHFFFAOYSA-N 306.409 4.742 30 20 DJED Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C 477965186 LSSCNTBJTJELSW-CZUORRHYSA-N 313.445 4.545 30 20 DJED C=CCCCC(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 479535316 GXNSAPQASONELI-VIFPVBQESA-N 304.192 4.666 30 20 DJED CC(C)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(C#N)cc1 509654698 QOUZCFWKYHOTTQ-CQSZACIVSA-N 324.449 4.801 30 20 DJED N#Cc1ccc(NCCOc2ccccc2-c2ccccc2)cc1 520565934 VDUVQWVDQQCCJL-UHFFFAOYSA-N 314.388 4.716 30 20 DJED CCCCCC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 521498551 APCRYHHOQSOINN-UHFFFAOYSA-N 308.381 4.869 30 20 DJED N#Cc1ccc(CN[C@@H](c2cccc(F)c2)C2CCCC2)cc1 531538027 LYOCDUQVJWYSKT-HXUWFJFHSA-N 308.400 4.718 30 20 DJED C=C[C@H](CC(=O)N[C@@H](C)c1cccc(OCC)c1)c1ccccc1 536094007 DBQRZRUXIXLYEL-DLBZAZTESA-N 323.436 4.622 30 20 DJED C=CCCC[C@H](C)NC(=O)Nc1ccc2oc(C3CC3)nc2c1 538341763 JKKVCVNAVCLIBX-LBPRGKRZSA-N 313.401 4.572 30 20 DJED C=C[C@@H](CC(=O)N1CCc2ccccc2C1(C)C)c1ccccc1 553032674 QGMAHLKSXYXYSL-KRWDZBQOSA-N 319.448 4.666 30 20 DJED CC[C@@]1(C)C[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1C#N 569288145 BBXKNMCCCFDQCU-RXVVDRJESA-N 318.420 4.528 30 20 DJED C[C@@H]1CCCC[C@@H]1c1noc(C[C@H](CC#N)c2ccccc2)n1 574942095 BRLWOSYSVOFYKO-PVAVHDDUSA-N 309.413 4.603 30 20 DJED C=CCCCCNc1cccc(C[S@](=O)c2ccccc2)c1 578846845 JBSCSKDUBOHQCK-QFIPXVFZSA-N 313.466 4.763 30 20 DJED C=CCCCCCN(C)C(=O)N[C@H](CC)c1ccc(C)cc1 606965256 FUOMCTZYGNEBJP-GOSISDBHSA-N 302.462 4.834 30 20 DJED Cc1ccc2c(Cl)c(C(=O)N[C@@H](C#N)CC(C)C)sc2c1 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WHPVSHOELJSNHL-HNNXBMFYSA-N 324.449 4.875 30 20 DJED CC(C)c1cccc(NC(=S)N(C)Cc2ccc(C#N)cc2)c1 917576827 LKJUHNPKRSGJNJ-UHFFFAOYSA-N 323.465 4.510 30 20 DJED CCC[C@H]1CCC[C@@H]1C(=O)N(CCC)Cc1ccc(C#N)cc1 1124959310 UOTQITZNJJGDBL-OALUTQOASA-N 312.457 4.513 30 20 DJED N#Cc1ccc(NC(=O)c2ccc(C3=CCCC3)cc2)cc1F 1129566846 LUPHQNNVGCUITM-UHFFFAOYSA-N 306.340 4.517 30 20 DJED CCc1c(C)sc(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)c1C#N 1264921455 MWGBZIRKZBZPMH-WCQYABFASA-N 304.459 4.501 30 20 DJED CC[C@H](Nc1nc(C(F)(F)F)ccc1C#N)c1ccc(F)cc1 1320034596 PXNPQOKCYNAQIE-ZDUSSCGKSA-N 323.293 4.674 30 20 DJED C=CCC[C@H](NCc1cc2cccc(OC)c2o1)c1ccco1 1321903688 LPXKDNBTROZACD-INIZCTEOSA-N 311.381 4.832 30 20 DJED C=CCN(CC1CCCCC1)C(=S)Nc1cccc(F)c1F 1341040556 SQFOLEKZUDCPKN-UHFFFAOYSA-N 324.440 4.730 30 20 DJED C[C@@H](CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 1349706711 MJHFWDLCNWGTGC-ZDUSSCGKSA-N 312.800 4.734 30 20 DJED CCCCN(Cc1ccc(F)cc1C#N)[C@H](C)c1ccc(C)o1 1459434909 GIMVVSJETSXMGP-OAHLLOKOSA-N 314.404 4.962 30 20 DJED Cc1cc(C#N)ccc1CN1[C@H](C)C[C@H](c2ccccc2)[C@H]1C 1460165762 ZRFHDHCBKZKCNI-LZJOCLMNSA-N 304.437 4.633 30 20 DJED N#Cc1cccnc1N[C@@H](c1ccc(F)cc1)C1CCCCC1 1472854932 LPFXUYWPUOKYBQ-GOSISDBHSA-N 309.388 4.826 30 20 DJED CC[C@H](Cc1cccc(C)c1)C(=O)O[C@@H](C)c1cccc(C#N)c1 1516898874 UKTHJKYDXUQXSE-QFBILLFUSA-N 321.420 4.740 30 20 DJED CC(C)C[C@H]1CCCCCN1C(=O)CC1(C#N)CCCCC1 1532002432 PHWOGEXGXXANIJ-QGZVFWFLSA-N 304.478 4.668 30 20 DJED N#Cc1ccccc1Sc1ccc(NC(=O)C2CCCC2)cc1 1532875102 YGNUFSANSYCEFK-UHFFFAOYSA-N 322.433 4.838 30 20 DJED Cc1cc(NC(=O)[C@H](CC#N)c2ccccc2)cc(C)c1Cl 1539605570 WJJAWMMJXMTUAA-MRXNPFEDSA-N 312.800 4.593 30 20 DJED CCSc1cccc(CNc2nc(C)c(C#N)cc2Cl)c1 1612449994 ATDAKXWOKBQHIX-UHFFFAOYSA-N 317.845 4.639 30 20 DJED Cc1ccc(CNc2c(C#N)cnc3c(Cl)cccc23)cc1 1650005149 BYQRGPWDQKPPHD-UHFFFAOYSA-N 307.784 4.680 30 20 DJED Cc1cc(Oc2ccc(C#N)cc2)ccc1Nc1ncncc1C 1650666900 QZRGKQPUNLVIRN-UHFFFAOYSA-N 316.364 4.501 30 20 DJED CCOc1ccc(CN(CC)[C@@H](C)c2ccc(C#N)cc2)c(C)c1 1651932368 OQPFRWVONFCUCP-KRWDZBQOSA-N 322.452 4.849 30 20 DJED CC[C@@H](S[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1 1652714449 CTTNGHDCVNEQRC-KBXCAEBGSA-N 324.449 4.770 30 20 DJED CN(Cc1ccc(Cl)cc1C#N)[C@H]1CCC[C@H]1c1ccccc1 1653848649 WJSKFNZHYXIRIG-PMACEKPBSA-N 324.855 4.980 30 20 DJED N#CCCN(CCC#N)Cc1cccc(-c2ccc(Cl)cc2)c1 1657596810 HKPUCHJMXRUUAR-UHFFFAOYSA-N 323.827 4.636 30 20 DJED CC(C)c1ccc2c(c1)CCCN2Cc1ccc(OCC#N)cc1 1657612724 IJWWHGGGWNJWLX-UHFFFAOYSA-N 320.436 4.665 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1ccccc1 66907322 PVTPRFNMUMHMBD-ZDUSSCGKSA-N 311.410 4.725 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1CCCCCC1 108981872 XWTGCTCEZQYCIZ-AWEZNQCLSA-N 316.470 4.990 30 20 DJED C=CCC[C@@H](NC(=O)N1CCC[C@H]1c1ccc[nH]1)c1ccccc1 131012737 CSKSJUCXIVEXMJ-MJGOQNOKSA-N 323.440 4.569 30 20 DJED CCC[C@@H](NCc1cc(C#N)cs1)c1ccc(F)cc1F 150941624 NFAQDCMJBIUTBO-MRXNPFEDSA-N 306.381 4.529 30 20 DJED C[C@H](C#N)CSc1ccccc1NCCCC(C)(C)C#N 153928031 OCNVUXSVVICLFK-CQSZACIVSA-N 301.459 4.680 30 20 DJED COc1ccccc1-c1ccc([C@@H](C)NCCCCC#N)cc1 178643116 YFDUUBDBCPDBDD-MRXNPFEDSA-N 308.425 4.707 30 20 DJED C=CCCCCCSc1nnc(C2CC2)n1Cc1ccco1 195420422 IDDDZGOGOHMKOO-UHFFFAOYSA-N 317.458 4.635 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)CC(C)(C)c2ccccc2)cc1 195714888 ZLZSUWOGAJBXDT-UHFFFAOYSA-N 320.436 4.794 30 20 DJED N#C[C@@H]1CCC[C@H](N[C@H](c2ccccc2)c2ccc(F)cc2)C1 248901989 UNZVAPIYLSENRP-UIAACRFSSA-N 308.400 4.587 30 20 DJED C[C@H](Nc1nc(C(F)F)nc2ccccc12)c1cccc(C#N)c1 301456259 SEHJPCMEYPQYIO-NSHDSACASA-N 324.334 4.612 30 20 DJED N#Cc1cccc(Cl)c1N[C@H]1CCOC2(CCCCC2)C1 301711710 VHUOFQCIOYHIRK-AWEZNQCLSA-N 304.821 4.505 30 20 DJED N#Cc1cc(N2CCC[C@@H]2c2cccs2)ccc1C(F)(F)F 302177959 PANMHVYSFUSLOO-CQSZACIVSA-N 322.355 4.980 30 20 DJED Cc1nc2ccccc2nc1S[C@H](C)c1ccc(C#N)cc1 303701606 OCIVFPIMSIFEQP-CYBMUJFWSA-N 305.406 4.663 30 20 DJED C[C@H](/N=C(/O)C1CCCC1)/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 328833513 WDLAUVBTDIEPAM-XJNFMUPTSA-N 320.477 4.837 30 20 DJED CCc1ccc2c(c1)[C@H](CC/N=C(/O)C1(C)CCCC1)C(O)=N2 329371009 MAWUYYDHXAVCMT-AWEZNQCLSA-N 314.429 4.861 30 20 DJED CC(C)c1cccc(C(C)C)c1N/C(O)=N/[C@@H]1CCC[C@H]1C#N 330782985 ZMTVKIYNKSKNHV-WMLDXEAASA-N 313.445 4.952 30 20 DJED CC(C)(C#N)CC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 376116816 QVTVBIVQOVTXLJ-UHFFFAOYSA-N 314.335 4.510 30 20 DJED C[C@@H]1CC(C)(C)N(C(=O)c2cscc2C#N)c2ccccc21 410684076 NAJMXJMBJRGZGS-GFCCVEGCSA-N 310.422 4.552 30 20 DJED C[C@@H](C(=O)Nc1sc(C(C)(C)C)cc1C#N)c1ccsc1 411009924 ZUAOSNISQNOKDT-SNVBAGLBSA-N 318.467 4.721 30 20 DJED CC(C)c1nnc(CSCc2ccc(C#N)cc2Cl)s1 419537808 NZPWXWWUWXJNRR-UHFFFAOYSA-N 323.874 4.620 30 20 DJED CC(C)c1ccc(NC(=O)[C@@H](C#N)CCc2ccccc2)cc1 433110935 DAWPXQUCUITFMO-GOSISDBHSA-N 306.409 4.521 30 20 DJED N#Cc1ccnc(SCc2nc(C3CCCCC3)cs2)c1 436194102 MYGMPZSFEGMICV-UHFFFAOYSA-N 315.467 4.750 30 20 DJED CC(C)c1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)cc1 439663881 GXFKRJRBFWYXPZ-IBGZPJMESA-N 306.409 4.585 30 20 DJED C=C(C)C[C@H](C)C(=O)Nc1sc(C)nc1-c1ccccc1 466860019 VKLIDTCMXHQROA-LBPRGKRZSA-N 300.427 4.659 30 20 DJED C=CCC(CC=C)C(=O)N[C@H](c1ccc(F)cc1F)C(C)C 468344862 XRSJSDJIIWZVLZ-KRWDZBQOSA-N 307.384 4.547 30 20 DJED C=CCC[C@@H](C(=O)Nc1cccc2[nH]ccc12)c1ccccc1 488717964 FQIPRFPJXWIZPK-MRXNPFEDSA-N 304.393 4.856 30 20 DJED CCN(CCSc1cc(Cl)ccc1Cl)C[C@@H](C)C#N 506062114 VWMKIEYEZHESAX-NSHDSACASA-N 317.285 4.567 30 20 DJED C[C@H](Cc1ccc(Cl)cc1Cl)NCc1ccc(C#N)cc1 507913045 ITZRDERBTOTKHV-GFCCVEGCSA-N 319.235 4.586 30 20 DJED C[C@@H](Sc1cc(C#N)ccn1)c1ccc(OC(F)(F)F)cc1 513342351 DMHHNHDMEUUCBA-SNVBAGLBSA-N 324.327 4.705 30 20 DJED C=CCCC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2 523944359 JHMYFKIUUDSKOJ-UHFFFAOYSA-N 313.441 4.543 30 20 DJED CN(Cc1ccc(-c2ccccc2C#N)cc1)Cc1cccs1 553636374 CHDVFCKACYSMBZ-UHFFFAOYSA-N 318.445 4.919 30 20 DJED N#C[C@@H]1CC[C@H](N2CCC[C@@H](Cc3csc4ccccc34)C2)C1 569112373 AKIUUVQGQREHQY-RYRKJORJSA-N 324.493 4.848 30 20 DJED CCCCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H](C)c1ccccc1 570189105 GFEWHXLJDKTPKW-HNNXBMFYSA-N 324.399 4.701 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccc(SC(F)F)cc2)s1 588419220 IZWRQJNOGGWWJV-CLTKARDFSA-N 321.373 4.831 30 20 DJED N#Cc1c(F)cccc1N1CCC(c2c[nH]c3ccccc23)CC1 590831206 WSDKWSSISKSTPA-UHFFFAOYSA-N 319.383 4.563 30 20 DJED COc1cc(CNc2ccc(C#N)cc2)ccc1OC1CCCC1 603859616 JJZSTANBPINWIS-UHFFFAOYSA-N 322.408 4.500 30 20 DJED C=CCCCN(Cc1cccs1)Cc1ccccc1OC 605149703 VOOYXZQZZNSECJ-UHFFFAOYSA-N 301.455 4.725 30 20 DJED Cc1c(Cl)cnc(N[C@@H](C)c2ccc(Cl)s2)c1C#N 612070288 RLZLEHUIHLJJFV-QMMMGPOBSA-N 312.225 4.803 30 20 DJED C[C@@H](CCCC(F)(F)F)Nc1nc(C(C)(C)C)ccc1C#N 617221227 IBISRBOPCBETQH-NSHDSACASA-N 313.367 4.784 30 20 DJED CC(C)[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)c2ccccc21 618568112 RYSHXPNEICDMTD-ICSRJNTNSA-N 308.400 4.672 30 20 DJED C=CCC(CC=C)C(=O)N1C[C@H](C)CSc2ccccc21 677189523 CWDINAKZMAGSFN-AWEZNQCLSA-N 301.455 4.530 30 20 DJED CCOc1ccccc1C(C)=NNc1ccc(OC(F)F)cc1 726429483 OLVOFUVNQVOSMJ-UHFFFAOYSA-N 320.339 4.523 30 20 DJED CCCCCCCSc1nnc(Cc2ccccc2OC)o1 727265704 KVZMEFDFUOANNL-UHFFFAOYSA-N 320.458 4.732 30 20 DJED N#Cc1cccc(/C=C2/Cc3c(ccc(Cl)c3Cl)C2=O)c1 729151344 RLICBMJDIVVOJV-GHXNOFRVSA-N 314.171 4.687 30 20 DJED O=C1/C(=C\c2ccc(OC(F)F)c(Cl)c2)Cc2ccccc21 731488491 HVEFEKRRWJHJKJ-GHXNOFRVSA-N 320.722 4.764 30 20 DJED C[C@@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(C)(C)C 734390955 GWUQKFHUDCHUJQ-KXBFYZLASA-N 320.436 4.963 30 20 DJED CSc1ccc(C(=O)/C=C\c2c(F)cccc2F)cc1F 741847550 PLRCVJDPYKPEPN-SREVYHEPSA-N 308.324 4.722 30 20 DJED CCO[C@@H](CC/N=C/c1cc(Cl)cc(Cl)c1O)C(C)C 746393934 MMYODXXCTKFAFA-RMNBPEERSA-N 318.244 4.569 30 20 DJED O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)c1cccnc1 753716500 ZLEFZCWUMHXDIY-ZZXKWVIFSA-N 311.690 4.650 30 20 DJED CCOc1ccc(/C=C/C(=O)c2ccccc2F)cc1OCC 757475543 SLBJVLMBPBMPFO-PKNBQFBNSA-N 314.356 4.519 30 20 DJED O=C(/C=C/c1cnc(C2CCC2)s1)c1ccc(Cl)cc1 760264970 QCONFYMYLXSJNI-CMDGGOBGSA-N 303.814 4.960 30 20 DJED CCCCC[C@@H](C)CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 767966111 QUAYXWLZIXVGSE-QGZVFWFLSA-N 324.468 4.780 30 20 DJED CC(CCCC(F)(F)F)=NNc1cccc(C(F)(F)F)n1 774386505 ATCXJXHCPYMZPH-UHFFFAOYSA-N 313.245 4.621 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N[C@H]1CCN2CCC[C@@H]2C1 775143518 RLKQMWYCNPRSFC-GBESFXJTSA-N 322.537 4.506 30 20 DJED CCC[C@H](Cc1ccccc1)N[C@H](C)c1ccc(OCC#N)cc1 776157686 SVGFUGHSRSQTII-YLJYHZDGSA-N 322.452 4.651 30 20 DJED N#C[C@@H](OC(=O)c1c(Cl)cccc1Cl)C1CCCCC1 776360221 RQIMJOHUJYQDHA-CYBMUJFWSA-N 312.196 4.623 30 20 DJED CCc1cccc2c(/C=C\C(=O)c3ccc(C#N)c(F)c3)c[nH]c12 776726927 QNZTVTJRFTXLDU-HJWRWDBZSA-N 318.351 4.637 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)cc1F 776729472 UNVJEBNJACILSZ-BAQGIRSFSA-N 319.257 4.612 30 20 DJED N#C[C@H]1CC[C@H](Nc2ccc3cc(Br)ccc3c2)C1 799734845 OYLPPFWUMLHPHJ-NHYWBVRUSA-N 315.214 4.706 30 20 DJED CC#CC(=O)Nc1ccc(Cl)cc1-c1ccc(Cl)cc1 801296147 DTXWSSJBYHNZII-UHFFFAOYSA-N 304.176 4.622 30 20 DJED CC(C)Oc1cccc([C@H](C)Nc2nc(Cl)c(C#N)s2)c1 804351871 KTULECMJQNGBBM-JTQLQIEISA-N 321.833 4.628 30 20 DJED CC(C)O[C@@H](C=NNc1ccc(F)c(F)c1F)c1ccccc1 814945337 VWGLSPMUXKINDE-HNNXBMFYSA-N 322.330 4.668 30 20 DJED CCCCCCCCC(=O)N(C)Cc1ccc(OC)c(F)c1 824420150 VLAQIPJYMBUNSR-UHFFFAOYSA-N 309.425 4.543 30 20 DJED Cc1c(C#N)cccc1C(=O)N1CCC[C@@H]1CCC1CCCCC1 1127117056 FTBBVTUGDGJCFC-LJQANCHMSA-N 324.468 4.832 30 20 DJED C[C@H]1CC[C@@H](c2ccccc2)N(CCc2ccc(C#N)cc2)C1 1194222034 PCGQAYIHCFOBAN-UWJYYQICSA-N 304.437 4.574 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC/C=C\c1ccc(F)cc1 1202716063 UYKGWCUGFPHRSC-ARJAWSKDSA-N 310.372 4.610 30 20 DJED C=CCOc1ccccc1CN[C@H]1C[C@@H](C)c2c(C)ccc(O)c21 1321025053 WQTFGFFHVOOGQT-WBVHZDCISA-N 323.436 4.604 30 20 DJED CC(C)c1ccc2occ(C(=O)[C@H](C#N)c3cccc(F)n3)c2c1 1344042855 CCBXOJDDSQNXSL-CQSZACIVSA-N 322.339 4.580 30 20 DJED CC[C@@](C)(C#N)c1nnc([C@@H](C)Oc2ccc3ccccc3c2)o1 1349965380 OQVOMRBHEYJLCZ-YJYMSZOUSA-N 321.380 4.554 30 20 DJED CCCC(C)(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 1353604409 WMHZMGREHUCQQT-UHFFFAOYSA-N 323.396 4.510 30 20 DJED CC(C)c1ccc(/C=C\CC(=O)Nc2ccc(F)cc2C#N)cc1 1355278597 MLZAXAZGECKTFA-ARJAWSKDSA-N 322.383 4.863 30 20 DJED CC(C)(C)C1CCC(CNC(=O)CC2(C#N)CCCCC2)CC1 1435481092 VFMNDLLFOCUSHA-UHFFFAOYSA-N 318.505 4.819 30 20 DJED CC1(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCCCCC1 1456950699 VVODLJLPMXUTNY-UHFFFAOYSA-N 324.346 4.876 30 20 DJED CCC[C@@H](NCc1ccc(C#N)cc1Br)C(C)(C)C 1460115739 STAHUKOUMYLVRY-OAHLLOKOSA-N 323.278 4.625 30 20 DJED Cc1ccc(Oc2cccc(Nc3cc(C#N)cnn3)c2)c(C)c1 1472858077 PGUPFVVCEPNNLB-UHFFFAOYSA-N 316.364 4.501 30 20 DJED Cc1cc(C#N)cc(NC2CCC(c3ccc(O)cc3)CC2)c1 1474577597 AUVLIIXYRXUKBX-UHFFFAOYSA-N 306.409 4.711 30 20 DJED Cc1cc(C#N)cc(NC(=O)N[C@H]2CCC[C@@H](C(C)C)CC2)c1 1476740406 LGYMMUMLUYVSBJ-SJORKVTESA-N 313.445 4.593 30 20 DJED CC[C@@H](CN(CC)C(=O)[C@]1(C#N)CC12CCCC2)c1ccccc1 1523397984 UKZKVGXLFDTDCL-LAUBAEHRSA-N 324.468 4.503 30 20 DJED CC[C@H](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1525198611 WCKVIEPKXONLGZ-AWEZNQCLSA-N 323.440 4.731 30 20 DJED CC[C@@H](CC(=O)N(CC)c1ccc(C#N)cc1)c1ccc(C)cc1 1538805209 XANQYJQSCSOKGY-SFHVURJKSA-N 320.436 4.804 30 20 DJED C[C@@H]1CCC[C@H](C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 1543968204 IIGIONMIODGGPD-KGLIPLIRSA-N 314.429 4.500 30 20 DJED CC[C@@H](C)[C@@H](C(=O)O[C@@H](C)c1cccc(C#N)c1)c1ccccc1 1544187386 CYFJPVZNROMABW-GQIGUUNPSA-N 321.420 4.992 30 20 DJED Cc1cc(N2CCCCC[C@@H]2/C=C/c2ccccc2)ncc1C#N 1559161900 PMKNJTSNDOTJSL-YVNCXZRQSA-N 317.436 4.724 30 20 DJED COc1ccc(CSc2ccc(C#N)c(C)c2)cc1Cl 1559429799 ZHSSKUVYKLAHBD-UHFFFAOYSA-N 303.814 4.821 30 20 DJED CC[C@@H]1CCC[C@@H](CNc2cc(C#N)ccc2OC(C)C)C1 1620962531 IEAHFEHYNYMPHU-NVXWUHKLSA-N 300.446 4.974 30 20 DJED CC(C)c1nc(N(CCC#N)CC(C)(C)C)cc(C(C)(C)C)n1 1651707679 AHMCMQKQOFYPFI-UHFFFAOYSA-N 316.493 4.664 30 20 DJED N#Cc1ccccc1OCc1ccc(Cl)c(C(F)(F)F)c1 1656089083 HRZBOWYCGRESIR-UHFFFAOYSA-N 311.690 4.809 30 20 DJED CCCC(=NNc1ccc(C(=O)O)cc1)c1ccccc1Cl 1776013984 YFZFFJOFFSTTBB-UHFFFAOYSA-N 316.788 4.655 30 20 DJED CCC(=NNc1cccc(C(=O)O)c1C)c1ccc(Cl)s1 1776086808 PTKABEJHBUYYOA-UHFFFAOYSA-N 322.817 4.634 30 20 DJED C=CCNC(=S)Nc1ccc(Oc2ccccc2Cl)cc1 17460587 ZQPTVUSFYONHTG-UHFFFAOYSA-N 318.829 4.605 30 20 DJED C[C@H]1CCC[C@@H](NC(=O)c2ccccc2-c2ccccc2C#N)C1 33183971 PNMMQQXRESLLLX-DOTOQJQBSA-N 318.420 4.534 30 20 DJED C[C@H](Sc1cc(C#N)ccn1)c1ccc(C(F)(F)F)cc1 78480896 IXONPNXRMYEQPU-JTQLQIEISA-N 308.328 4.825 30 20 DJED CCc1nc(C)c([C@@H](C)N[C@@H](CCC#N)c2ccccc2)s1 90664653 YQNCVZXYQULQOO-CJNGLKHVSA-N 313.470 4.710 30 20 DJED CC(C)C[C@@H](C)CC(=O)Nc1ccccc1SCCC#N 108201027 RXZPSWAYGZTMJL-CQSZACIVSA-N 304.459 4.703 30 20 DJED C=CCOc1ccccc1CN[C@@H](CC(C)C)c1ccccn1 161491062 KPOILKCGQOJJQI-IBGZPJMESA-N 310.441 4.523 30 20 DJED C[C@@H](NCCCCC#N)c1ccc(Cl)c(Cl)c1Cl 178641116 FVMFPEIHZYUBCX-SECBINFHSA-N 305.636 4.991 30 20 DJED C[C@H](Nc1ccc(C#N)cc1F)c1nc(C(C)(C)C)cs1 301195553 NVNSLMDYFYLWRR-JTQLQIEISA-N 303.406 4.624 30 20 DJED C=CCOc1cccc(NC(=O)N[C@H](C)c2cccc(C)c2C)c1 303678858 JQEJYTIBKQJJIS-MRXNPFEDSA-N 324.424 4.751 30 20 DJED Cc1ccc(C#N)c(Nc2ccc(OCc3ccccc3)cc2)n1 310359008 RYHKGOQZXOHDFG-UHFFFAOYSA-N 315.376 4.584 30 20 DJED CC(O)=Nc1ncccc1N=C(O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 329641076 ZPJASAOQVQNPBO-QLFBSQMISA-N 315.417 4.884 30 20 DJED CC(O)=Nc1ccc(N/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 329778501 QCTPWFDJDXCQOX-JJRVBVJISA-N 315.417 4.589 30 20 DJED C=CCC[C@@H](NC(=O)c1ccn(C)c1C1CCC1)c1ccccc1 343211181 HSPRFAXHOSEQSM-LJQANCHMSA-N 322.452 4.730 30 20 DJED C[C@@H](Cc1ccc(Cl)cc1)N[C@H](CCC#N)c1ccccc1 359307263 UILHDBDPRAJIOA-HNAYVOBHSA-N 312.844 4.906 30 20 DJED Cc1c([C@H](C)Nc2ccc([N+](=O)[O-])cc2C#N)oc2ccccc12 391992104 AWHPNLRBJXJFLX-LBPRGKRZSA-N 321.336 4.694 30 20 DJED C=CCN(Cc1ccc(Cl)s1)Cc1nc(C)sc1C 443671899 COQNSALFMCKOTE-UHFFFAOYSA-N 312.891 4.663 30 20 DJED C=CCC1(C(=O)Nc2cnn(CCC)c2C2CC2)CCCCC1 452958389 BTQXHWOHIOJYFY-UHFFFAOYSA-N 315.461 4.636 30 20 DJED C=CCC(CC=C)C(=O)NC(C)(C)c1cccc(Cl)c1F 471624328 BZFGOBALBKYWTE-UHFFFAOYSA-N 309.812 4.599 30 20 DJED CC(C)CN(C(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 475078910 DIKDJXZSBPZFKE-UHFFFAOYSA-N 312.800 4.514 30 20 DJED C=CCCCC(=O)N1CC=C(c2cccc3ccccc23)CC1 479556493 QPHMKWRCSAPEEO-UHFFFAOYSA-N 305.421 4.812 30 20 DJED C=C(C)[C@H](NC(=O)Nc1ccc(F)cc1)c1ccc(F)c(F)c1 479779865 SCQXKJNKQCYSAH-INIZCTEOSA-N 320.314 4.543 30 20 DJED CC[C@@H](CC(F)(F)F)N[C@H]1CCCCc2cc(C#N)ccc21 482002258 PCHZDXGJEUVTSY-HOCLYGCPSA-N 310.363 4.646 30 20 DJED C=CCC[C@@H](C(=O)N[C@H]1CCCc2occc21)c1ccccc1 488352998 IZBFTMNXWZEIFR-AEFFLSMTSA-N 309.409 4.523 30 20 DJED C=CCOc1ccccc1C(=O)N(C)c1cccc(C(C)C)c1 502019803 SQERJMHMCRHVDF-UHFFFAOYSA-N 309.409 4.651 30 20 DJED C[C@H](OCCCNc1ccc(C#N)c(Cl)c1)c1ccccc1 518351988 KNJLQWUARYPHTK-AWEZNQCLSA-N 314.816 4.791 30 20 DJED C=CC1CCN(C(=O)c2ccccc2SCC=C(C)C)CC1 525478951 GXGJFSWUTKUBRU-UHFFFAOYSA-N 315.482 4.783 30 20 DJED Cc1ccc([C@@H](C)NCCSCc2ccccc2C#N)s1 537969045 JJDPYAXGCUIALZ-CQSZACIVSA-N 316.495 4.512 30 20 DJED Cc1ccc([C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)C2CC2)cc1 554137492 PHHPQTPYKSGJKD-JLTOFOAXSA-N 308.400 4.808 30 20 DJED N#Cc1ccc2c(c1)[C@@H](Nc1cccc(-c3nccs3)c1)CC2 568406904 PZBIXVXOBDESAF-SFHVURJKSA-N 317.417 4.781 30 20 DJED CCC1(c2ccc(Cl)cc2)CCN([C@@H]2CC[C@H](C#N)C2)CC1 572009998 QPSWTRXBMJHRGF-MAUKXSAKSA-N 316.876 4.776 30 20 DJED COc1cc(CNc2ccc(C#N)cc2)ccc1OCCC(C)C 603859952 MXDDLUAYWWWNLQ-UHFFFAOYSA-N 324.424 4.604 30 20 DJED C[C@H](NCc1ccc(C#N)cc1F)c1ccc(C(C)(C)C)cc1 610341877 FEKNEBQBGQTICX-AWEZNQCLSA-N 310.416 4.846 30 20 DJED C[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)c1cccc(C#N)c1 610947066 CRJMCYWBPAJPBS-LLVKDONJSA-N 322.305 4.567 30 20 DJED C=CCN(Cc1ccccc1)C(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 642211567 SIOKERBBQNDWRM-VQIMIIECSA-N 323.436 4.550 30 20 DJED C[C@@H](OC(=O)CCc1ccc(Cl)s1)c1cccc(C#N)c1 727636014 DXZSHUUVLCWTSJ-LLVKDONJSA-N 319.813 4.510 30 20 DJED CCc1ccc(C(=O)/C=C/c2cnc3ccc(Cl)cn23)s1 737444197 OYORKJGYRZEWHC-GQCTYLIASA-N 316.813 4.508 30 20 DJED COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1Cl 741472318 VMBLAFPAQDTCPD-FNORWQNLSA-N 316.784 4.562 30 20 DJED O=C(/C=C\c1cccc2ccccc12)c1ccc2c(c1)COC2 742434281 FBJBVSHSELSWHY-KHPPLWFESA-N 300.357 4.766 30 20 DJED C=C(C)CN1CCC(NC(=O)[C@@](C)(CC)CCCCCC)CC1 742644074 SQCQFSBBOUKMAA-FQEVSTJZSA-N 322.537 4.530 30 20 DJED CC(=NNc1oc(C(C)C)nc1C#N)c1cccc2ccccc12 745625620 YKYJWHBEWKXSCB-UHFFFAOYSA-N 318.380 4.659 30 20 DJED N#Cc1c(Cl)nsc1S[C@H]1CCCc2ccccc21 771237961 XDWZADQHGJVXNS-LBPRGKRZSA-N 306.843 4.838 30 20 DJED COc1ccc(/C=C/C(=O)c2cccc(F)c2F)cc1Cl 776267449 AQPRAOOSLABTOX-FNORWQNLSA-N 308.711 4.523 30 20 DJED Cc1c(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)cnn1C(C)C 787186448 BXQACKRFYNGXFT-FNORWQNLSA-N 323.223 4.975 30 20 DJED Cc1cc(C)cc(C(=O)/C=C\c2cnc(-c3ccco3)s2)c1 789142996 NEHXZENQVBTKRL-WAYWQWQTSA-N 309.390 4.916 30 20 DJED CC(C)N(C)c1ccc(/C=C\C(=O)c2ccc(Cl)s2)cn1 790208300 GWRKZYKULWVMSC-XQRVVYSFSA-N 320.845 4.537 30 20 DJED C=CCC[C@@H](N[C@@H]1CCCc2cn(C(C)C)nc21)c1ccco1 796943287 XOYIMKVMMCGWSQ-IAGOWNOFSA-N 313.445 4.732 30 20 DJED Cc1ccccc1[C@@H](Nc1nc(Cl)c(C#N)s1)C1CC1 804451429 JIVOGYUMWAYRIE-ZDUSSCGKSA-N 303.818 4.540 30 20 DJED O=C(/C=C\c1csc2ccccc12)c1ccc2c(c1)OCO2 810195969 SVXZHMPPLQNFDB-ALCCZGGFSA-N 308.358 4.526 30 20 DJED N#Cc1c(F)cccc1/C=C\C(=O)c1ccc(C(F)(F)F)cc1 811687777 JSQNLRCCXGWENV-TWGQIWQCSA-N 319.257 4.612 30 20 DJED Fc1cccc(C=NOCc2cc(Cl)cc3cccnc23)c1 914785691 CFGVVIUGKXQRFB-UHFFFAOYSA-N 314.747 4.578 30 20 DJED O=C(/C=C\c1ccc(-c2ccccc2Cl)o1)c1ccncc1 916135986 CXGXTHHWPPKFAG-ALCCZGGFSA-N 309.752 4.891 30 20 DJED C[C@@H](OC(=O)c1ccc(C#N)cc1)c1cccc2ccccc12 920496990 FJNOPMOGVJKTFM-CQSZACIVSA-N 301.345 4.629 30 20 DJED O=C(/C=C\c1ccc(OCC(F)(F)F)cc1)C1CCCCC1 921265668 OYEGROQIROSLKG-FLIBITNWSA-N 312.331 4.790 30 20 DJED CCC[C@@H](CC(C)C)C(=O)N[C@@H](CCC#N)c1ccccc1 1127297303 NVNRTWHZXUWPNE-ROUUACIJSA-N 300.446 4.610 30 20 DJED Cc1cc(Sc2nc(C3CCCCC3)cs2)c(C#N)cn1 1163979403 ZTSFPTYKPSEMBJ-UHFFFAOYSA-N 315.467 4.917 30 20 DJED CCC1(CC)CN(Cc2ccc(F)c(C#N)c2)c2ccccc21 1168325410 WNEHAGWAVWNYCB-UHFFFAOYSA-N 308.400 4.775 30 20 DJED CC(C)(CC#N)CNCc1ccc(Sc2ccccc2)cc1 1202759370 DCGIUQYZOBVQRT-UHFFFAOYSA-N 310.466 4.867 30 20 DJED N#CC[C@H]1CCCN(Cc2cccc(Oc3ccc(F)cc3)c2)C1 1233209100 LDEHBBGCVDOUCC-MRXNPFEDSA-N 324.399 4.744 30 20 DJED Cc1ccccc1[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCC2 1352476830 ISUGMJHFHVAJNX-ZDUSSCGKSA-N 324.449 4.549 30 20 DJED CC1CC(C(=O)Nc2cccc(C#N)c2)(c2cccc(Cl)c2)C1 1354253584 NBFBJUOJLXDVPY-UHFFFAOYSA-N 324.811 4.518 30 20 DJED CC(C)(C)C[C@@H]1C[C@H]1C(=O)N(c1ccccc1C#N)C1CCC1 1437663460 ZXMIMLAUFNJYJQ-DOTOQJQBSA-N 310.441 4.516 30 20 DJED Cc1c(Cl)cnc(N2CC[C@H](CC(C)(C)C)C2(C)C)c1C#N 1472832745 LIUJTUNRRSNEIC-CYBMUJFWSA-N 319.880 4.956 30 20 DJED Cc1cc(CNCC2(c3ccc(F)cc3)CCCC2)ccc1C#N 1473934830 IPDDUIANNDIWFT-UHFFFAOYSA-N 322.427 4.607 30 20 DJED CCCCC1CCC(NC(=O)Nc2cccc(CC#N)c2)CC1 1476610003 CMENGCBNOKTZIL-UHFFFAOYSA-N 313.445 4.623 30 20 DJED CC1(C)CCC(C(=O)N(c2ccccc2C#N)C2CCC2)CC1 1538979378 ALRNCEOYYGUCJN-UHFFFAOYSA-N 310.441 4.660 30 20 DJED CC(C)Cc1ccccc1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1598327498 OIYHZNMKFQAAKI-INIZCTEOSA-N 320.436 4.590 30 20 DJED Cc1cccc([C@@H]2CCCN2Cc2ccc(C#N)cc2Cl)c1 1615234343 SXQNVXBZPOXYQL-IBGZPJMESA-N 310.828 4.857 30 20 DJED N#Cc1ccc(N(C(=O)C2[C@@H]3CCCCCC[C@@H]23)C2CCC2)cc1 1618610190 JAQXYVQJXVNPPW-RTBURBONSA-N 322.452 4.660 30 20 DJED CCC[C@@H](C)[C@H]1CCCN1c1ccc(C#N)c(Br)c1 1650860191 QVHDUTUCALCDED-MLGOLLRUSA-N 321.262 4.726 30 20 DJED N#CC1(CN(C2CC2)[C@@H]2CCCC[C@H]2C2CCCCC2)CC1 1652620196 LVFGBNDVASLRMK-RBUKOAKNSA-N 300.490 4.894 30 20 DJED Cc1csc(NC(=O)N(CC(C)(C)C)CC(C)(C)C)c1C#N 1661564067 PEKBESOOHFYXME-UHFFFAOYSA-N 321.490 4.854 30 20 DJED C=C(CNC(=O)N(C)[C@H](c1ccccc1)C(C)C)c1ccccc1 1673395743 UBNZNBUPYQNUES-FQEVSTJZSA-N 322.452 4.739 30 20 DJED CCCCCCCCCC=NNc1ccc(C(=O)O)cc1OC 1776050243 UXKRSDVYYLJJFN-UHFFFAOYSA-N 320.433 4.932 30 20 DJED C/C=C/c1ccc(Oc2snc(Cl)c2C#N)c(OC)c1 92582434 BRQKKCAYTWJRMH-ONEGZZNKSA-N 306.774 4.502 30 20 DJED C=C[C@@H](CC(=O)N(CC)[C@@H](CC)c1ccncc1)c1ccccc1 135498181 PHJQTIIJWVQIBZ-PXNSSMCTSA-N 322.452 4.741 30 20 DJED Cc1ccccc1[C@@H](C)CC(=O)N[C@@H](CCC#N)c1ccccc1 153733944 UBDGHJUGAWVXGX-PXNSSMCTSA-N 320.436 4.650 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)[C@H](c2ccccc2)C2CC2)n1 162461791 GTAVKYHVEVYJLX-DOTOQJQBSA-N 324.449 4.637 30 20 DJED CC(C)Cc1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)cc1 194886160 FXYYEOUMSRFOAD-QGZVFWFLSA-N 322.452 4.638 30 20 DJED C[C@H]1C[C@H](C)CC[C@H]1Nc1ccc(C#N)c(Br)c1 228188189 JNPUEXWCNAVJMV-JRPNMDOOSA-N 307.235 4.557 30 20 DJED CN(CCCCC(C)(C)C#N)Cc1cccc(Br)c1 234272456 HEQINCDVINRFEO-UHFFFAOYSA-N 323.278 4.601 30 20 DJED CC(=O)c1ccc(C#N)c(NCc2cccc3ccccc23)c1 302042962 SIHQWYDSEGKKNA-UHFFFAOYSA-N 300.361 4.526 30 20 DJED CC1(C)CCC(CNc2ccc(C#N)c(Br)c2)CC1 311588381 QJQMUXYESMLPKY-UHFFFAOYSA-N 321.262 4.949 30 20 DJED CC(C)C[C@@](C)(C#N)/N=C(/O)c1cc(F)c(Cl)cc1Cl 330765483 SZQMMYYXLRNOTR-AWEZNQCLSA-N 317.191 4.765 30 20 DJED CC(C)C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccn1 341878898 SQALGTHIZVRNHM-FPOVZHCZSA-N 319.452 4.708 30 20 DJED C[C@H](C1CC1)N(Cc1ccccc1)Cc1ccc(CC#N)cc1 399224187 DITMYNSJEGWFKJ-QGZVFWFLSA-N 304.437 4.553 30 20 DJED Cc1cccc(C(=O)Nc2sc(C(C)(C)C)cc2C#N)c1F 411007795 PIVCPUBEHPVIQV-UHFFFAOYSA-N 316.401 4.617 30 20 DJED N#Cc1ccc(CN[C@@H]2CCc3cc(Cl)cc(Cl)c32)s1 421888663 UEGLZXHXINMOQH-CQSZACIVSA-N 323.248 4.704 30 20 DJED C[C@@H](NCC1(CC#N)CC1)c1ccc(Oc2ccccc2)c(F)c1 430723798 KTOVSQZTCOXEOJ-OAHLLOKOSA-N 324.399 4.962 30 20 DJED CC(C)c1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)cc1 439663883 GXFKRJRBFWYXPZ-LJQANCHMSA-N 306.409 4.585 30 20 DJED CC[C@@H](NCCc1c[nH]c2cc(C)ccc12)c1ccc(C#N)cc1 447559692 AQMCINSLYSSNPP-HXUWFJFHSA-N 317.436 4.631 30 20 DJED CC(C)N(C(=O)C[C@@H](CC#N)c1ccccc1)C1CCCCC1 483447141 ZTAYRDWOHNFHEC-GOSISDBHSA-N 312.457 4.644 30 20 DJED N#Cc1ccc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)s1 488335251 PYGAGUYCXBQGJI-OAHLLOKOSA-N 316.470 4.585 30 20 DJED CC(C)(C#N)c1ccccc1CSc1ccc(C#N)cc1F 488816534 DHAVOQMLCAKDHD-UHFFFAOYSA-N 310.397 4.791 30 20 DJED Cc1c(C(=O)N[C@H]2CC23CCCCC3)sc2ccc(C#N)cc12 497369777 UXSANKOIZSMFJC-INIZCTEOSA-N 324.449 4.534 30 20 DJED N#CCCCC[S@](=O)Cc1ccc(C2CCCCC2)cc1 505718894 GYXRRIHTCMLTHP-NRFANRHFSA-N 303.471 4.677 30 20 DJED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCC2CCCC2)cc1 521293380 OKUYUANHHZKBPV-GOSISDBHSA-N 312.457 4.635 30 20 DJED C[C@H](N[C@H]1CC(C)(C)Oc2cc(F)ccc21)c1cccc(C#N)c1 538405833 GBHKTWZRDIBIIH-UGSOOPFHSA-N 324.399 4.650 30 20 DJED C=C(CC)CN[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C 542569447 URUPYLIXFXUFEB-ZDUSSCGKSA-N 316.470 4.744 30 20 DJED CC[C@](C)(C#N)c1nc(C(C)(C)c2cccc3ccccc23)no1 556354181 XETWIURALZLFGY-HXUWFJFHSA-N 319.408 4.740 30 20 DJED C/C=C\c1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 561650528 FTLMSDHJONSQDU-IHWYPQMZSA-N 302.377 4.527 30 20 DJED CC[C@H](C#N)c1ccc(-c2ccc(C(F)(F)F)cc2CO)cc1 596641937 LUFGWYQLDYZINQ-GFCCVEGCSA-N 319.326 4.882 30 20 DJED CCC[C@@H](C(=O)NCC(C)(C)CCC#N)c1ccc(Cl)cc1 597657580 BAPSTPPMNBDJGT-MRXNPFEDSA-N 320.864 4.670 30 20 DJED N#Cc1cc(F)cc(NCc2cccc(OC3CCCC3)c2)c1 600860658 JVPAEZZGORAZBQ-UHFFFAOYSA-N 310.372 4.631 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc(OCCC)cc1C 606941118 AXRMAGJKJFTOMN-UHFFFAOYSA-N 318.461 4.994 30 20 DJED C[C@H](CC(=O)N[C@H](CCC#N)c1ccccc1)CC(C)(C)C 610976274 HHHWNJXMFPBBEU-NVXWUHKLSA-N 300.446 4.610 30 20 DJED C[C@]1(C#N)CCCN(c2ccc3c(Cl)ccc(Cl)c3n2)C1 612108687 PNZGGTILMJFWMU-MRXNPFEDSA-N 320.223 4.672 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)c2cc3occc3s2)n1 673814240 KWTMUVICYBOCFP-SECBINFHSA-N 316.407 4.564 30 20 DJED CC(CCc1ccc(F)cc1)=NNc1cccc2cnccc12 728431862 GHTIOKFWTPHQLB-UHFFFAOYSA-N 307.372 4.795 30 20 DJED Cc1ccc2c(c1)C(=O)/C(=C/c1cnc(-c3ccccc3)s1)C2 730949430 WCRPYGQBVYITLT-LFIBNONCSA-N 317.413 4.941 30 20 DJED CCc1ccc(/C=C/C(=O)c2ccc(SC)c(OC)c2)s1 731158545 DHPWGXUVGAFAQO-CMDGGOBGSA-N 318.463 4.937 30 20 DJED N#Cc1ccc(/C=C\C(=O)c2cccc(Cl)c2Cl)cc1 734979960 GFVFSYADIDSSGM-HJWRWDBZSA-N 302.160 4.761 30 20 DJED C=CCCCOC(=O)c1cnc(-c2ccccc2Cl)s1 735533871 DOZRRKQVNHWUGG-UHFFFAOYSA-N 307.802 4.587 30 20 DJED CCCCC[C@H](NCc1ccc(OC)c(C#N)c1)c1ccccc1 742369702 OQMJTCLZSRCWMX-FQEVSTJZSA-N 322.452 4.978 30 20 DJED COCc1cccc(/C=C/C(=O)c2ccccc2C(F)(F)F)c1 742429697 VOZQZZNFYFHXNL-MDZDMXLPSA-N 320.310 4.748 30 20 DJED N#Cc1csc(/C=C/C(=O)c2cccc(Cl)c2Cl)c1 748439824 ABFCESPEAIUOJX-SNAWJCMRSA-N 308.189 4.823 30 20 DJED N#Cc1ccc(/C=C2/CSc3ccc(Cl)cc3C2=O)s1 748997619 FYHHGMFLQQNCHU-UITAMQMPSA-N 317.822 4.645 30 20 DJED Cc1cc(/C=C/C(=O)c2ccsc2)cc(C)c1OC(F)F 749101145 BAGWZZDFZPDLDO-ONEGZZNKSA-N 308.349 4.862 30 20 DJED C#CC(=O)Nc1nc(-c2ccc(C(C)C)cc2C(C)C)cs1 754019037 SABLOSOUYVHUJT-UHFFFAOYSA-N 312.438 4.629 30 20 DJED C#CC[C@@H](NCc1csc(-c2cccs2)n1)c1ccccc1 756995030 CDMCBRXCBVNQCX-MRXNPFEDSA-N 324.474 4.726 30 20 DJED C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1csc2ccccc12 766077850 PTLJYIZILYVNLM-LLVKDONJSA-N 323.377 4.854 30 20 DJED C=C(C)CNc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 766078131 TWFUTYSXVCROAT-UHFFFAOYSA-N 318.779 4.719 30 20 DJED O=C(/C=C/c1cccc(OCc2ccccc2)c1)c1cscn1 769259748 KPFKKSXNCJBSBA-MDZDMXLPSA-N 321.401 4.618 30 20 DJED CC(=O)Nc1ccc(C(=O)/C=C/c2cc3ccccc3s2)cc1 781553643 UOEXVQGZVQTTGQ-ZHACJKMWSA-N 321.401 4.756 30 20 DJED C#CCC1(C(=O)Nc2cccc(COC(C)C)c2)CCCCC1 788174203 XVGXBYQHFKWDRE-UHFFFAOYSA-N 313.441 4.524 30 20 DJED N#Cc1ccc(C(=O)/C=C\c2cc(Cl)cs2)c(Cl)c1 788358705 JAEOFMODYJPCFF-RQOWECAXSA-N 308.189 4.823 30 20 DJED Clc1cnc(NN=C2CCC[C@@H]2c2ccccn2)c(Cl)c1 794873585 RTCPMRZUPVCLPV-LLVKDONJSA-N 321.211 4.519 30 20 DJED CCC(=NNc1cccc(F)n1)c1ccc(Cl)cc1Cl 795007007 XARDTBSUVSBMGH-UHFFFAOYSA-N 312.175 4.754 30 20 DJED CC(C)(C)SCCCOC(=O)c1ccc(C(C)(C)C#N)cc1 796805399 CQLJPVLIMMXICP-UHFFFAOYSA-N 319.470 4.566 30 20 DJED COc1ccc(/C=C\C(=O)c2cc(F)ccc2F)c(Cl)c1 797156363 HHQGBARNHIHUFJ-CLTKARDFSA-N 308.711 4.523 30 20 DJED C[C@H]1/C(=C\c2ccc(Cl)nc2Cl)C(=O)c2ccccc21 809158757 DDPOPRVHHVEGKJ-TVNQGELYSA-N 304.176 4.772 30 20 DJED CC(=NNc1cccc2ccccc12)[C@@H]1C[C@H](CC(=O)O)C1(C)C 814822861 HHGHWFNDDAZNIE-WBVHZDCISA-N 324.424 4.765 30 20 DJED C=CCC(F)(F)C(=O)N(CCC)[C@@H](C)c1cc2ccccc2o1 815096487 ARZPBUSEEOVBLO-ZDUSSCGKSA-N 321.367 4.944 30 20 DJED C=C(C)C(C)(C)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 819242488 KIRUPPXGWBLYEV-UHFFFAOYSA-N 318.417 4.574 30 20 DJED C=CCCCC(=O)Nc1ccc(NC(=O)OC(C)(C)C)c(C)c1 856373481 MBEVIJFAAWVFGU-UHFFFAOYSA-N 318.417 4.637 30 20 DJED N#Cc1cc(C(F)(F)F)ccc1N1Cc2cccc(Cl)c2C1 864018157 NKFFTHMURLJDGV-UHFFFAOYSA-N 322.717 4.751 30 20 DJED CC(=NNc1ncccc1Cl)c1cc2cc(Cl)ccc2o1 917546022 FCJGUSFLQAKQAQ-UHFFFAOYSA-N 320.179 4.971 30 20 DJED CC(=NNc1cc(F)cc(F)c1)c1oc2ccccc2c1C 920374724 JREDGORPJDVOOD-UHFFFAOYSA-N 300.308 4.856 30 20 DJED CC(C)(CNC(=O)c1ccc(C#N)c(Cl)c1)C1CCCCC1 1127314298 GYUBMYAHWLMVHG-UHFFFAOYSA-N 318.848 4.548 30 20 DJED CC(C)(C)Cc1ccccc1C(=O)Nc1cc(C#N)ccc1F 1129603458 XNBDTTFCYQKFNM-UHFFFAOYSA-N 310.372 4.538 30 20 DJED CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccc(Cl)s1 1167241358 ZGQKNDZSYWBJEA-UHFFFAOYSA-N 318.873 4.931 30 20 DJED Cc1ccccc1CC(C)(C)Nc1nc(C)c(C#N)cc1Cl 1185677028 QTSZIEBOBZPXIO-UHFFFAOYSA-N 313.832 4.657 30 20 DJED N#Cc1cc(CN2CCC[C@H]2CCCc2ccccc2)ccc1F 1192214977 QVFZQQJITRMIEU-HXUWFJFHSA-N 322.427 4.685 30 20 DJED CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)CCO[C@@H](C)C#N 1193976943 OBCDWWDRGXTGHI-KSSFIOAISA-N 322.880 4.678 30 20 DJED CC(C)(CCCc1ccccc1)CNCc1cc(C#N)cs1 1200562327 LZJAWBBOJGYSGX-UHFFFAOYSA-N 312.482 4.758 30 20 DJED Cc1cc(C#N)cc(NCc2csc(-c3cccs3)n2)c1 1202805109 OFIRJXIBQXEDMA-UHFFFAOYSA-N 311.435 4.664 30 20 DJED CCN(C(=O)OCc1ccccc1C)[C@@H](C)c1ccc(C#N)cc1 1208370691 VMKUTJUFPYMKSC-INIZCTEOSA-N 322.408 4.586 30 20 DJED C=CCn1cnnc1SCc1sc2ccccc2c1Cl 1321534796 NWHSISRFXJZFEH-UHFFFAOYSA-N 321.858 4.625 30 20 DJED CC(C)=CCC/C(C)=C/C=NNc1ccc(C(C)(C)C)nn1 1322975528 MSZNKFSWTVPCBV-ICPRKQRHSA-N 300.450 4.865 30 20 DJED N#Cc1ccc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)cc1 1435544547 DPXAAPQJXZYXSG-LJQANCHMSA-N 310.441 4.523 30 20 DJED CC(C)Cc1cccc([C@H](C)C(=O)O[C@H]2CCC[C@@H](C#N)C2)c1 1525049773 YEJQMEGHYVPCJY-WDYCEAGBSA-N 313.441 4.614 30 20 DJED Cc1cccc(Cl)c1COC(=O)CC1(C#N)CCCCC1 1533897714 ACSHVYCQPSAGFP-UHFFFAOYSA-N 305.805 4.556 30 20 DJED CC1(C)C[C@H](c2ccccc2)N(C(=O)CC2(C#N)CCCCC2)C1 1537102916 UNZHBVLNMIVXOY-GOSISDBHSA-N 324.468 4.850 30 20 DJED CC(C)(CNc1cccc(C#N)n1)c1ccc(Cl)c(Cl)c1 1559086087 LIDRFVUWNFWJHX-UHFFFAOYSA-N 320.223 4.650 30 20 DJED CCC[C@H]1CCCC[C@@H]1CNc1c(C#N)nnc2ccccc12 1612487898 MCBCWBUANMDLQY-LSDHHAIUSA-N 308.429 4.520 30 20 DJED Cc1cc(C)c(C#N)c(SCC[C@@H]2CCc3ccccc32)n1 1613190079 ISCOEYAHVSHYLR-INIZCTEOSA-N 308.450 4.782 30 20 DJED Cc1nc(S[C@@H]2CCc3ccccc3C2)c(Cl)cc1C#N 1642918511 LTVPDFXGMKQGGT-OAHLLOKOSA-N 314.841 4.565 30 20 DJED N#Cc1ccc(CN2CCC[C@@H](CCCc3ccccc3)C2)s1 1644976776 CAFBYEXLAGSACK-GOSISDBHSA-N 324.493 4.855 30 20 DJED CCOc1ccc2nc(S[C@H](C)c3cccc(C#N)c3)[nH]c2c1 1651627200 WHQWGXKRFXUEQB-GFCCVEGCSA-N 323.421 4.687 30 20 DJED CC(C)(C)[C@@H]1CCC[C@H]1Nc1ccc(C#N)c(Br)c1 1651933158 OWWXIKHRVZDPSM-UKRRQHHQSA-N 321.262 4.947 30 20 DJED COc1ccc([C@H](Cc2ccccc2)NC[C@@H](C)CCC#N)cc1 1664913658 KOJCMRHHVONVIX-UWJYYQICSA-N 322.452 4.508 30 20 DJED CC(=NNc1ccccc1C(=O)O)C1CCC(C(C)C)CC1 1776032184 QYKKYTBCUFNWKK-UHFFFAOYSA-N 302.418 4.635 30 20 DJED O=C(O)c1cccc(/C=C/C(=O)c2cccc3ccccc23)c1F 1776114386 OFNIAXULZWXHEF-VAWYXSNFSA-N 320.319 4.573 30 20 DJED CCCc1sc(C(=O)Nc2ccc(CC#N)cc2)cc1CC 8126294 IRIRPXFIBXFEOO-UHFFFAOYSA-N 312.438 4.581 30 20 DJED C=CCOc1ccc(CN[C@H](C)c2cccc(Cl)c2)cc1 21020763 SZBMFBPEXSYDGN-CQSZACIVSA-N 301.817 4.756 30 20 DJED C[C@@H](Cc1ccsc1)Nc1ccc(C#N)c(C(F)(F)F)c1 49185823 BIFIKMQZGGGAJS-JTQLQIEISA-N 310.344 4.682 30 20 DJED C[C@@H](Nc1cccc(OCCCC#N)c1)c1c(F)cccc1F 79724245 QCNIPSFACWLIOL-CYBMUJFWSA-N 316.351 4.820 30 20 DJED CC(C)(C)OC(=O)Nc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1 185737558 OWRYFQZFLBACKT-BBRMVZONSA-N 315.417 4.528 30 20 DJED COc1cccc2c(N[C@H](CCC#N)c3ccccc3)ccnc12 193489010 VXUYTBBMCIFYJK-QGZVFWFLSA-N 317.392 4.700 30 20 DJED C=CCn1c(SCCCCC)nnc1-c1ccccc1F 195608032 FQSKMXWSWUXOPY-UHFFFAOYSA-N 305.422 4.553 30 20 DJED CC[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccc(C)cc1 237014912 MKMILJWIPCTOAD-OXJNMPFZSA-N 308.425 4.527 30 20 DJED CCN(c1ccc(C#N)cn1)[C@@H](C)c1cccc(C(F)(F)F)c1 301121339 WUTJCVABWNARNE-LBPRGKRZSA-N 319.330 4.560 30 20 DJED C[C@H](c1cccc(Cl)c1)N(C)c1snc(Cl)c1C#N 301496898 BMAYCUHCHHJNKQ-MRVPVSSYSA-N 312.225 4.519 30 20 DJED CC1(C)[C@@H](C(F)(F)F)CCN1CCC1(C#N)CCCCC1 411621280 QRXQVHAKAFAAOF-ZDUSSCGKSA-N 302.384 4.513 30 20 DJED N#Cc1ccc(CN2CCC(c3ccsc3)CC2)c(Cl)c1 439423215 OVURUUNFTUYETE-UHFFFAOYSA-N 316.857 4.653 30 20 DJED Cc1sc(NC(=O)[C@H](c2ccccc2)C(C)C)c(C#N)c1C 443820043 BPUMFQMWDXTZAI-INIZCTEOSA-N 312.438 4.615 30 20 DJED CCOc1cccc2cc([C@H](C)Nc3ccc(C#N)c(C)n3)oc12 487916086 PWKJESHSFTVYIA-ZDUSSCGKSA-N 321.380 4.580 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C1CCC(C)(C)CC1 494844883 JVOXSRJYHZLQHC-UHFFFAOYSA-N 312.457 4.512 30 20 DJED C=CCN(Cc1ccccc1)C(=O)C[C@@H](CC)c1ccccc1 504394369 NMWNOLDUWAUFPI-LJQANCHMSA-N 307.437 4.785 30 20 DJED C=C(C)CCc1noc(-c2cnc(-c3ccccc3F)s2)n1 508617103 XIESYGVEPUOELK-UHFFFAOYSA-N 315.373 4.508 30 20 DJED C[C@H](CC1CCCCC1)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 511157266 RILDNTRRVXBVAM-DYVFJYSZSA-N 318.848 4.627 30 20 DJED CCCc1ccc([C@@H](NCc2ccc(C#N)cc2)C(C)C)cc1 512808535 CWQBZMNKXSOHIJ-NRFANRHFSA-N 306.453 4.998 30 20 DJED C=CCCC(=O)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 525080260 TUEDDFFIPHPDSP-OAHLLOKOSA-N 309.409 4.506 30 20 DJED Cc1ccccc1[C@@H](NCc1cc(C#N)ccc1F)C(C)(C)C 537157068 LYWGYCZLFNOMBI-LJQANCHMSA-N 310.416 4.883 30 20 DJED CC(C)(C)C1CCC(Cn2cc(C#N)c(=O)c3ccccc32)CC1 545484254 JNBGAUDJWXXKMZ-UHFFFAOYSA-N 322.452 4.726 30 20 DJED Cc1ccc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1C 553293905 OTRWVAJDCFSAIG-HRAATJIYSA-N 304.437 4.903 30 20 DJED Cc1cc(C#N)cnc1C(=O)Nc1ccc(C(C)C)cc1C(C)C 559033447 BAJGVFZCVAHOPQ-UHFFFAOYSA-N 321.424 4.761 30 20 DJED CC(C)c1cc(NCc2cc(C#N)cs2)n(-c2ccccc2)n1 565288614 TZFNTEKWVVKRAQ-UHFFFAOYSA-N 322.437 4.541 30 20 DJED CC[C@@H](c1ccc(Br)cc1)N1CCC[C@@H](CC#N)C1 595615761 STCPUFJIQNDHKL-BBRMVZONSA-N 321.262 4.526 30 20 DJED C[C@@H](NC1CCC(c2ccc(O)cc2)CC1)c1cccc(C#N)c1 611442130 XHVXABMAXPTRGG-XRTORIHISA-N 320.436 4.641 30 20 DJED CCOCc1cc(/C=C/C(=O)c2cc(C)cc(C)c2)ccc1OC 730437205 QVWOSRKQYHVQQL-SOFGYWHQSA-N 324.420 4.745 30 20 DJED CC(=NNc1ccccc1Br)c1sccc1C 733744927 XBQSNMKTNSOYHX-UHFFFAOYSA-N 309.232 4.655 30 20 DJED CCC/C=C/C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 735208552 ZLMIKJHXTATMIM-LLYBFZRZSA-N 310.422 4.651 30 20 DJED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1ccc(Cl)c(F)c1 739423745 CJGKNPPKNWQACM-DAXSKMNVSA-N 319.719 4.592 30 20 DJED FC(F)(F)c1cccc(NN=C2CCCCc3ccccc32)n1 739426345 KMDHPWGNGMYERK-UHFFFAOYSA-N 319.330 4.643 30 20 DJED O=C(/C=C\c1cnc2ccccn12)c1ccc(Cl)c(Cl)c1 740667689 YWDSODNBHKHXMY-ALCCZGGFSA-N 317.175 4.537 30 20 DJED Cc1cc(C)cc(/C=C/C(=O)c2c(Cl)nc3sccn23)c1 741842681 BARAXEGLMOMTDB-ONEGZZNKSA-N 316.813 4.562 30 20 DJED Cc1nc(C)c(CON=Cc2ccc(C(C)(C)C)cc2)s1 742348441 FWZITPNEFVDUEV-UHFFFAOYSA-N 302.443 4.608 30 20 DJED CCCCCCCC(=O)NCc1coc(-c2ccc(C)cc2)n1 744739543 CBNAUMZVGPAKLL-UHFFFAOYSA-N 314.429 4.627 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)C[C@@H]2CCCC[C@@H]2C)n1 747193549 JSHKNTQMGRCVRU-MELADBBJSA-N 304.459 4.659 30 20 DJED CCCCCCCCN(C)[C@H](C)c1ccc([S@](C)=O)cc1 747842319 CUYJMVPNFAPYRZ-IERDGZPVSA-N 309.519 4.777 30 20 DJED C[C@@H](OC(=O)/C=C\c1ccc(Cl)s1)c1ccc(C#N)cc1 748680231 AQNIZISWCZVYOD-GXMKHXEJSA-N 317.797 4.591 30 20 DJED Cc1ccc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)cc1 750897576 YVVGTDKIDCGGPZ-UHFFFAOYSA-N 314.340 4.718 30 20 DJED C[C@@H](N[C@H](C)c1ccc2ccccc2c1O)c1cccc(C#N)c1 756629217 ZWDPJUNYRKDTPE-HUUCEWRRSA-N 316.404 4.829 30 20 DJED O=C(/C=C/C=C\c1ccc(F)cc1F)c1cccc(F)c1F 758061713 CYTRXIRLZDIDTL-OYHXRHOKSA-N 306.258 4.695 30 20 DJED CC(C)c1ncc(/C=C2\Cc3c(Cl)cccc3C2=O)s1 758428223 BLTMPHFLXGUJGP-UXBLZVDNSA-N 303.814 4.742 30 20 DJED CCCn1nc(C)c(/C=C/C(=O)c2ccc(F)c(Cl)c2)c1C 759653580 RUXRJTDZQVCXMD-SOFGYWHQSA-N 320.795 4.599 30 20 DJED CCc1noc(C)c1C(C)=NNc1ccc(Cl)cc1Cl 769797712 XIRHIXLSNNZSMT-UHFFFAOYSA-N 312.200 4.688 30 20 DJED O=C(/C=C/c1cc(F)cc(C(F)(F)F)c1)c1ccccc1F 772802635 OGFBFBKGQUXWRE-AATRIKPKSA-N 312.237 4.880 30 20 DJED CCCCCCCCCCC(=O)N1CCc2ncsc2C1 782925691 JWWCKZHSWPACRM-UHFFFAOYSA-N 308.491 4.559 30 20 DJED CC(C)c1ccc(N(C)C(=O)C[C@H](CC#N)c2ccccc2)cc1 793675125 QAPGKWPRTPMOOC-IBGZPJMESA-N 320.436 4.860 30 20 DJED Cc1sc2ncnc(NN=C3CC(c4ccccc4)C3)c2c1C 814726401 UHTWTQRUWRWIKQ-UHFFFAOYSA-N 322.437 4.654 30 20 DJED CC(C)CC(CC(C)C)C(=O)[C@H](C#N)c1cnc2ccccc2n1 835348552 OVNQYCALALQBIB-MRXNPFEDSA-N 323.440 4.514 30 20 DJED Cc1ccc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c(O)c1C 841763008 SWNMJMLTXNTAAZ-QRWLVFNGSA-N 320.436 4.609 30 20 DJED CC(=NNc1nc2ccccc2s1)c1nc2ccccc2s1 917563889 QKIYEVCQNFBIPV-UHFFFAOYSA-N 324.434 4.742 30 20 DJED C[C@H]1C[C@@H](C)C[C@H](C(=O)Nc2sc3c(c2C#N)CCCC3)C1 1124369087 LKSFNAHIQVYDPM-ITGUQSILSA-N 316.470 4.509 30 20 DJED C[C@@H]1c2c(sc(NC(=O)[C@H](C)C(C)(C)C)c2C#N)CC[C@H]1C 1129474258 KWFPBJHIMJOMMR-WOPDTQHZSA-N 318.486 4.926 30 20 DJED N#Cc1ccc(OCc2nc(C3CCCCC3)cs2)cc1F 1165672337 NLWIPSHRKBRORT-UHFFFAOYSA-N 316.401 4.781 30 20 DJED Cc1cccc(C)c1[C@@H]1CCCN1Cc1ccc(F)cc1C#N 1171901042 SRNZFILWAXFDGN-IBGZPJMESA-N 308.400 4.651 30 20 DJED CCCc1ccc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)s1 1204360745 WPJAQKCFXFMXDO-WOJBJXKFSA-N 324.493 4.972 30 20 DJED Cc1oc(C#N)cc1C(=O)O[C@@H](c1ccccc1)C1CCCCC1 1269394553 KADCODHBYWBEHW-IBGZPJMESA-N 323.392 4.938 30 20 DJED CC(C)(C)c1ccc2c(c1)CCN2c1ncc(C#N)cc1Cl 1307104492 UXXRWYVGCIJJAO-UHFFFAOYSA-N 311.816 4.598 30 20 DJED C[C@H](Sc1nc2c(cc1C#N)CCCC2)c1ccc(F)cc1 1307285034 PLIZULRPTIECGO-LBPRGKRZSA-N 312.413 4.824 30 20 DJED COc1cc(C#N)ccc1CSCc1ccc2ncccc2c1 1320452541 FRHWVSTYXDTZRK-UHFFFAOYSA-N 320.417 4.548 30 20 DJED Cc1ccc(-c2ncc(/C=C\c3cc(C#N)ccn3)s2)cc1 1322820041 NGPLAEHDVHMOFU-SREVYHEPSA-N 303.390 4.556 30 20 DJED Cc1ccccc1[C@@H](C)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 1342739814 AWBAYUUSVCBLKR-HIFRSBDPSA-N 312.438 4.555 30 20 DJED Cc1cc(SCc2ncccc2C(F)(F)F)ccc1C#N 1459142791 PHXHOKZNOVWGSW-UHFFFAOYSA-N 308.328 4.573 30 20 DJED CC(C)(C)[C@H]1CN(Cc2ccc(F)c(C#N)c2)c2ccccc21 1473431139 AJUVLHVJUBVNHY-KRWDZBQOSA-N 308.400 4.847 30 20 DJED Cc1cc(C#N)cc(N[C@@H](C)Cc2cccc(C(F)(F)F)c2)c1 1474578151 ORVFQWRKTFENIM-ZDUSSCGKSA-N 318.342 4.929 30 20 DJED CCCCC1CCC(CNC(=O)c2cc(C#N)ccc2C)CC1 1518325325 SBMZABMGRHWXQQ-UHFFFAOYSA-N 312.457 4.593 30 20 DJED CC(C)[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)c2ccccc21 1520218869 OHJIQEIWERQJQB-KRWDZBQOSA-N 310.441 4.637 30 20 DJED CC(C)(CCCc1ccccc1)C(=O)O[C@H]1CCC[C@@H](C#N)C1 1525048125 AATSTVCQXHDSTN-MSOLQXFVSA-N 313.441 4.661 30 20 DJED C[C@H]1Cc2c(sc(NC(=O)CC3CCCC3)c2C#N)[C@H](C)C1 1544383885 OXKALMUNZUZWDJ-VXGBXAGGSA-N 316.470 4.824 30 20 DJED Cc1cccc(C2(CNC3CCC(C)(C#N)CC3)CCCC2)c1 1620760902 XGYHORYCDPQBCJ-UHFFFAOYSA-N 310.485 4.869 30 20 DJED Cc1nsc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)c1C#N 1639475077 VNGOMLJJJSKYNJ-XXLQHYSLSA-N 317.845 4.786 30 20 DJED CC(C)c1ccc([C@H]2CCCCN2c2ccnc(C#N)c2)cc1 1639733336 QWGYONBVASTFAZ-HXUWFJFHSA-N 305.425 4.808 30 20 DJED Cc1cc(C#N)ccc1CN(Cc1ccccc1)CC1CCC1 1653205543 ZPMGMTAKESLCBC-UHFFFAOYSA-N 304.437 4.669 30 20 DJED Cc1cc(C#N)ccc1CN[C@@H](C)C1(c2ccccc2)CCCC1 1653322123 LAQDAWIFLYYWGI-SFHVURJKSA-N 318.464 4.857 30 20 DJED N#CCC1(CN2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 1653387430 JIHNQSQTWMMEDU-MRXNPFEDSA-N 322.374 4.926 30 20 DJED Cc1ccnc(N2CCCCC[C@H]2/C=C\c2ccccc2)c1C#N 1655357023 NGVVRPCMXCXTRE-JZHDPFOFSA-N 317.436 4.724 30 20 DJED COc1ccc(OC)c(/C=C/C(=O)c2ccc3ccccc3c2)c1 5879856 HVVACFNXDAHHQB-PKNBQFBNSA-N 318.372 4.753 30 20 DJED Cc1ccsc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 41536123 PWBQDEHGEKWCMV-ZDUSSCGKSA-N 324.430 4.670 30 20 DJED C=CCCO[C@H](C)C(=O)Nc1c(C(C)C)cccc1C(C)C 69312242 ASCWLNUQHKINHJ-OAHLLOKOSA-N 303.446 4.853 30 20 DJED C=CCCC(=O)O[C@@H](C)c1ccc(NC(=O)c2ccccc2)cc1 73289416 SFKKHAVLSZCLSK-HNNXBMFYSA-N 323.392 4.509 30 20 DJED CC(C)(C#N)CCSc1nnc(CCC2CCCCC2)o1 78969513 GBFRNFJHIKGBJU-UHFFFAOYSA-N 307.463 4.614 30 20 DJED CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCCc3ccccc32)c1 113952422 ZSVYWUQKCMXYKX-RXVVDRJESA-N 320.436 4.535 30 20 DJED C=CCCC(=O)N1CC[C@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 155058003 JRZXHCOOJXVLKQ-LRDDRELGSA-N 311.347 4.581 30 20 DJED Cc1ccccc1Sc1ccc(C(=O)N(C)[C@@H](C)CC#N)cc1 161638669 JSSPDGAJYNEPDQ-HNNXBMFYSA-N 324.449 4.520 30 20 DJED C[C@H](Nc1ccc(F)cc1OCC(F)F)c1ccc(C#N)cc1 179602704 NRMSOORHMQJLOE-NSHDSACASA-N 320.314 4.514 30 20 DJED C=CC[C@@H](C(=O)Nc1cccc(-c2cnco2)c1)c1ccccc1 186962486 DGRDQAOWEJNRIR-GOSISDBHSA-N 318.376 4.640 30 20 DJED C[C@H](C#N)CSc1ccccc1NCc1cc(F)cc(F)c1 187282404 CONMYIVYKUTDOD-GFCCVEGCSA-N 318.392 4.829 30 20 DJED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 193002549 UUIQRDBLAANWCE-OLZOCXBDSA-N 318.342 4.989 30 20 DJED C[C@@H]1CCC[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)C1 246559004 LYSZYMYYPJURGF-BMFZPTHFSA-N 324.449 4.813 30 20 DJED N#C[C@@H](NC(=O)CC/C=C\c1ccccc1)c1ccccc1Cl 255715114 IRPIWJIWCSOZSV-BQTUVJDFSA-N 324.811 4.514 30 20 DJED Cc1cccc([C@@H]2CCCN2c2ccc3cc(C#N)ccc3n2)c1 301972616 IJHRRURLZAOJHQ-FQEVSTJZSA-N 313.404 4.756 30 20 DJED Cc1ccc(-c2nc(N=C(O)[C@@]3(C)CCOC3)sc2C)s1 329426425 JBNFURBCHXYOSX-HNNXBMFYSA-N 322.455 4.503 30 20 DJED N#CCC[C@@H](NC1CC(c2cccc(F)c2)C1)c1ccccc1 341355993 QSWWOINXGBRYAH-LYBXBRPPSA-N 308.400 4.706 30 20 DJED N#CCC[C@H](N[C@H]1CCCc2ccc(F)cc21)c1ccccc1 344284209 CCOHTIMRDLGORR-PMACEKPBSA-N 308.400 4.838 30 20 DJED Cc1nc(-c2ccc([C@@H](C)Nc3cccnc3C#N)cc2)cs1 357322483 CGFKNKTVVXYQQG-GFCCVEGCSA-N 320.421 4.558 30 20 DJED C[C@H](NCc1ccc(F)cc1C#N)c1cc(Cl)ccc1Cl 426156641 LIXTXAOVDGULMC-JTQLQIEISA-N 323.198 4.855 30 20 DJED C=CCC[C@@H](NC(=O)[C@@H](C)c1cccc(OC)c1)c1ccccc1 435272881 UGSCJMLBDZVAGJ-OXJNMPFZSA-N 323.436 4.622 30 20 DJED CC(C)C[C@H](C(=O)Nc1cccc(CC#N)c1)c1ccccc1 456729566 KOJJTQBJLDGDRW-IBGZPJMESA-N 306.409 4.521 30 20 DJED C=CCCCCNC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 471709453 PKGTVPHZARDSCZ-LLVKDONJSA-N 300.229 4.569 30 20 DJED C=CCCC1(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)CC1 474190137 PMDMJFODYWGUNM-GFCCVEGCSA-N 311.347 4.629 30 20 DJED CCc1cccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1CC 477121366 ZCJLIMUCNPMOAV-UHFFFAOYSA-N 320.436 4.865 30 20 DJED Cc1ccc(C#N)cc1NC(=O)C[C@H](c1ccccc1)C(C)C 483499008 YFQROUKOCPNNHX-SFHVURJKSA-N 306.409 4.635 30 20 DJED Cc1cc(CN[C@@H](c2ccc(F)cc2F)C(C)C)ccc1C#N 488155501 XCDXJWZCEUTAQV-LJQANCHMSA-N 314.379 4.632 30 20 DJED CC(C)c1cnc(SCc2cccc(F)c2C#N)n1C(C)C 488232104 MYCARVJKMBDSFZ-UHFFFAOYSA-N 317.433 4.890 30 20 DJED CC[C@@H](Nc1nccc(C#N)c1Cl)c1ccc(Cl)cc1 514958982 QMGCBCGTLMZESH-CYBMUJFWSA-N 306.196 4.823 30 20 DJED CC(C)(C)OCCSc1nc(-c2ccccc2)ccc1C#N 522254701 PLKFJAPXEWLTNL-UHFFFAOYSA-N 312.438 4.527 30 20 DJED C=CCN(Cc1ccccc1)C(=O)c1cc2c(C)c(C)ccc2[nH]1 523977915 RPPRQYAULSHKRL-UHFFFAOYSA-N 318.420 4.613 30 20 DJED Cc1c(Cl)cc(NC(=O)c2ccc(CC#N)cc2)cc1Cl 535455770 DONQYXSGPULLCU-UHFFFAOYSA-N 319.191 4.620 30 20 DJED N#CCCCNCc1ccc(-c2ccc(Cl)c(Cl)c2)o1 542310278 IWWSQFVCXHKSHW-UHFFFAOYSA-N 309.196 4.647 30 20 DJED Cc1cccc(C)c1Oc1ccccc1NC(=O)NCCCC#N 542352680 XDFKUJYJGMGHAE-UHFFFAOYSA-N 323.396 4.521 30 20 DJED COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2CCCC#N)c1 544125421 IEMWAMNBPICOQB-RTWAWAEBSA-N 320.436 4.530 30 20 DJED N#Cc1ccc(CN[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)s1 574884812 GXJSWKAMGZVECS-SJORKVTESA-N 316.857 4.699 30 20 DJED N#CC1(c2cccc(-c3ccc(F)cc3Cl)c2)CCOCC1 600849443 NHQJHPRPEUYKIU-UHFFFAOYSA-N 315.775 4.718 30 20 DJED C[C@H](Sc1ncc(-c2ccccc2)[nH]1)c1ccc(C#N)cc1 609813841 YGQJOBDCDLGECI-ZDUSSCGKSA-N 305.406 4.802 30 20 DJED CCC(C)(C)CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 610411825 SZLDSHYBDCQMSE-LLVKDONJSA-N 304.459 4.509 30 20 DJED C=C[C@H](CC(=O)N1CC(C)(C)[C@@H]1c1ccccc1)c1ccccc1 677523274 DWFIRASUBPKPNI-UTKZUKDTSA-N 319.448 4.956 30 20 DJED C=CCSCCNC(=O)Nc1ccc(SC(C)(C)C)cc1 726848730 YJEIBDZOVSTZED-UHFFFAOYSA-N 324.515 4.618 30 20 DJED CCCCc1ccc(C(=O)/C=C/c2c(C)nn(CC)c2C)cc1 727974587 NIRNWUJTZXHVFW-BUHFOSPRSA-N 310.441 4.759 30 20 DJED CC(C)c1ccc(NC(=S)Nc2ccc(F)c(C#N)c2)cc1 728176313 MVRVZJZLMQRFFF-UHFFFAOYSA-N 313.401 4.630 30 20 DJED C[C@H](CC#N)OC(=O)c1sc2cccc(Cl)c2c1Cl 733710028 OHUQVZZFWQITHH-SSDOTTSWSA-N 314.193 4.667 30 20 DJED C=CCCCOC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 735526729 AKICKRFDQJMQNX-UHFFFAOYSA-N 321.829 4.515 30 20 DJED CC(=NNc1nc(C)c(-c2ccccc2)s1)c1ccccc1 749263336 RNUTXTFKXAOGFA-UHFFFAOYSA-N 307.422 4.955 30 20 DJED O=C(/C=C/c1ccc2ccccc2c1)c1cc([N+](=O)[O-])ccc1F 752873360 DBKBACSAZMIGCW-UXBLZVDNSA-N 321.307 4.783 30 20 DJED C=C[C@H](CC(=O)OCc1cccc2cccnc12)c1ccccc1 758919878 KATHGTSPZLOFAU-MRXNPFEDSA-N 317.388 4.638 30 20 DJED CC(=NNc1cc(Cl)cc(Cl)c1)c1csc(C)n1 790201498 FHENUHABMZDCHG-UHFFFAOYSA-N 300.214 4.594 30 20 DJED O=C(/C=C\c1ccc(-c2cccs2)cc1F)c1cccnc1 917516994 GYVJBMSQVPYXCY-FPLPWBNLSA-N 309.365 4.845 30 20 DJED Fc1c(Cl)cccc1NN=C1CSCc2ccccc21 921137844 OJWDUZCYPILOII-UHFFFAOYSA-N 306.793 4.542 30 20 DJED COc1ccc(C#N)cc1CS[C@@H](C)c1ccccc1OC 1165720247 RVPLAKGDZIGQSO-ZDUSSCGKSA-N 313.422 4.570 30 20 DJED CC1(C)CC(C)(C)c2cc(NC(=O)c3ccc(C#N)s3)ccc21 1266831068 XXSORSAVGLRUMP-UHFFFAOYSA-N 324.449 4.831 30 20 DJED N#C[C@@H]1CC[C@@H](Sc2nc3ccccc3n2-c2ccccc2)C1 1307250074 UPLSMWUICOMSNM-GDBMZVCRSA-N 319.433 4.810 30 20 DJED C[C@@H]1CCN(CCC2(C#N)CCCCC2)[C@H](c2ccco2)C1 1307493349 JKVNPDLYCHVTNW-SJORKVTESA-N 300.446 4.917 30 20 DJED N#Cc1ccc(CCN2CCC[C@H]2CCC2CCCCC2)cc1 1307583907 SLTDBXCHPKJNOG-NRFANRHFSA-N 310.485 4.926 30 20 DJED C#C[C@H](NCc1csc(C(C)C)n1)c1ccc(Cl)cc1F 1343320722 ABWCEOAUUNYTDF-HNNXBMFYSA-N 322.836 4.523 30 20 DJED CC(C)COc1cccc(C(=O)O[C@H](C)c2cccc(C#N)c2)c1 1355926017 TUGLJPVSIMXNKI-OAHLLOKOSA-N 323.392 4.511 30 20 DJED COc1cc(C#N)ccc1CN1C[C@H](C)CC[C@H]1c1ccccc1 1473466193 ZWWPNLJWRHHPLT-UZLBHIALSA-N 320.436 4.540 30 20 DJED CCCC[C@H](C)N(CCCC)C(=O)c1ccc(C)c(C#N)c1 1526814806 VKKYBPSZMFNOQH-INIZCTEOSA-N 300.446 4.688 30 20 DJED CCCCN(C(=O)c1cc(C#N)ccc1C)[C@H]1CCC[C@@H](C)C1 1527351399 MKXDZHQAEYFCLR-QAPCUYQASA-N 312.457 4.688 30 20 DJED C[C@H](C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C(C)(C)C 1539409431 ASGRRQJZMDSTIP-CQSZACIVSA-N 322.408 4.971 30 20 DJED CCC[C@H]1CCC[C@@H]1C(=O)N(CC)c1ccc(C#N)c(Cl)c1 1544757338 LXFDQZVXVYTYIE-BBRMVZONSA-N 318.848 4.781 30 20 DJED CCc1ccc(CCN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 1559555177 TZRWZNQJZBFQDU-FCHUYYIVSA-N 318.464 4.563 30 20 DJED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1cccc(C2CCC2)c1 1585641654 UZEVBYGCZBOTCY-HNNXBMFYSA-N 318.420 4.659 30 20 DJED C[C@@H](CCSc1cccc(F)c1C#N)OCc1ccccc1 1641162813 ITMHRMCHKDHPER-AWEZNQCLSA-N 315.413 4.785 30 20 DJED Cc1cc(CN(CCC#N)CCC(C)C)ccc1Br 1641935505 WNCTYKSGXCZEPM-UHFFFAOYSA-N 323.278 4.519 30 20 DJED CC(C)(C#N)CCN1CCc2ccc(-c3ccccc3)cc2C1 1654599669 WPFNLZFEWKPAIH-UHFFFAOYSA-N 304.437 4.652 30 20 DJED N#Cc1c(F)cccc1CNC(C1CCCC1)C1CCCC1 1660753509 OCQLQBQPENTGFR-UHFFFAOYSA-N 300.421 4.536 30 20 DJED C[C@H]1CCC[C@@H](NC(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1670294218 JWTVOTPTQOVUBS-NWDGAFQWSA-N 319.474 4.617 30 20 DJED CC(C)c1ccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1 47376110 DCCJPFXGKFTTNZ-GOSISDBHSA-N 314.388 4.848 30 20 DJED N#Cc1csc(CN[C@@H](c2ccccc2)c2cccc(F)c2)c1 88766056 YDWDJOIAAHCMES-IBGZPJMESA-N 322.408 4.638 30 20 DJED C=CCCC[C@H](C)NC(=O)c1ccc(C2SCCS2)cc1 182627997 BMZKENISMXMTTI-ZDUSSCGKSA-N 321.511 4.640 30 20 DJED CCc1ccc(C(=O)/C=C\c2ccc(SC)c(OC)c2)s1 211842032 PZYJHNVQVFKDCV-YVMONPNESA-N 318.463 4.937 30 20 DJED C=CCn1c(S[C@@H](C)c2ccc(C#N)cc2)nc2ccccc21 303661115 DIMBPTPUXUGMMG-AWEZNQCLSA-N 319.433 4.947 30 20 DJED C[C@](/N=C(/O)[C@H]1CC12CCCC2)(C(=N)O)c1cccc(Cl)c1 330202058 YUMHVZQOMAEAFK-CZUORRHYSA-N 320.820 4.627 30 20 DJED N#CC1(CC[S@](=O)CCCCc2ccccc2)CCCCC1 414248015 OZILZSACEFKUJJ-JOCHJYFZSA-N 317.498 4.622 30 20 DJED N#C[C@H]1CCC[C@@H](Nc2ccc(-c3cnc(C4CC4)o3)cc2)C1 447606808 NORSKNPTJYMFLT-SUMWQHHRSA-N 307.397 4.713 30 20 DJED C=CCC1(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)CCCC1 450074531 NREIIFJSRAIUPS-KGLIPLIRSA-N 317.395 4.608 30 20 DJED CCCC[C@@H]1CCC[C@@H]1NC(=O)C[C@H](CC#N)c1ccccc1 475599352 HNVDKEIUHRYLBG-QYZOEREBSA-N 312.457 4.549 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1cccc(CSCC)c1 488487855 NITUFSWWXZWIKF-MRXNPFEDSA-N 304.459 4.512 30 20 DJED N#Cc1ccc(C2=CCN(C(=O)CC3CCCCCC3)CC2)cc1 503978398 FSPRHRZUPPCRGE-UHFFFAOYSA-N 322.452 4.534 30 20 DJED C[C@H](F)CCN[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 509007025 OIWMTDBGBORSLW-GZMMTYOYSA-N 317.248 4.647 30 20 DJED C=CCN(Cc1cccs1)C(=O)NC[C@H](CC)CCCC 515293262 VRGDFLCGBLRMDE-OAHLLOKOSA-N 308.491 4.662 30 20 DJED CCC[C@H](C)C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 515626393 DCAUOSQMHHCHMY-LBPRGKRZSA-N 324.449 4.760 30 20 DJED C=C1CCN(C(=O)c2ccc(-c3ccc(C)cc3)cc2F)CC1 517453167 NSOHBZYMTIGVEI-UHFFFAOYSA-N 309.384 4.593 30 20 DJED Cc1ccc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c2c1CCC2 519584817 UMRDNVYOWNWHAI-INIZCTEOSA-N 324.449 4.554 30 20 DJED CC(C)Oc1ccc([C@H](C)Nc2ncc(C#N)cc2Cl)cc1 524432826 HNJVSFCRCDNZON-LBPRGKRZSA-N 315.804 4.567 30 20 DJED C=CCN(C(=O)c1ccc(Oc2ccccc2)o1)c1ccccc1 530892783 OFMISJFAIVKKDG-UHFFFAOYSA-N 319.360 4.905 30 20 DJED Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(C(C)C)s3)[nH]c12 546195278 CVXYLSYNCNDKEU-LBPRGKRZSA-N 323.421 4.546 30 20 DJED Cc1c(C(=O)N(C2CCC2)C2CCC2)sc2ccc(C#N)cc12 573828724 KXQJVLMTCUKGSJ-UHFFFAOYSA-N 324.449 4.629 30 20 DJED COc1cc(CN[C@H](c2ccccc2)C2CCCC2)ccc1C#N 581280542 UMPPZKDNMQTNKU-OAQYLSRUSA-N 320.436 4.588 30 20 DJED C=CCN(Cc1cccs1)C(=O)N[C@H](CC)C1CCCCC1 586909055 RWGYZLNHVQBWLQ-QGZVFWFLSA-N 320.502 4.805 30 20 DJED C=CCN(CC=C)C(=O)Nc1ccc(Oc2ccccc2)cc1C 597358575 AKHRQKRANWRJBG-UHFFFAOYSA-N 322.408 4.993 30 20 DJED C[C@@H](NCc1ccc(-c2ccccc2)o1)c1ccc(C#N)cc1 603633420 FBQDPZZUHYXNFN-OAHLLOKOSA-N 302.377 4.669 30 20 DJED C[C@H](CC(=O)Nc1cccc(OCCCC#N)c1)CC(C)(C)C 603972321 MOZYBRZSTXECHH-OAHLLOKOSA-N 316.445 4.770 30 20 DJED CC[C@H](CC(=O)N(CC)[C@H](C)c1ccc(C#N)cc1)C(C)C 609166443 BYAZRWLERMVIFZ-NVXWUHKLSA-N 300.446 4.540 30 20 DJED CCCCCCCC(=O)Nc1ccc(-c2nccc(C)n2)cc1 734351928 NBBIRTYZMMWAHB-UHFFFAOYSA-N 311.429 4.751 30 20 DJED Cc1noc(C)c1/C=C/C(=O)c1cccc(-c2ccccc2)c1 746345791 KIXAXNDAAXNDSC-VAWYXSNFSA-N 303.361 4.855 30 20 DJED CCc1ccc(C(=O)/C=C/C=C\c2ccccc2[N+](=O)[O-])s1 750901451 FQZJUBCSBHLSJT-KHPAHMTISA-N 313.378 4.671 30 20 DJED O=C(/C=C/c1cc(F)ccc1Br)c1ccsc1 761201596 WKWDYHWMFSELQW-DAFODLJHSA-N 311.175 4.546 30 20 DJED O=C1/C(=C\c2ccc(Cl)nc2Cl)Cc2ccc(Cl)cc21 761477831 ARRAPKYZQRLKBR-POHAHGRESA-N 324.594 4.864 30 20 DJED C=CC1CCN(C(=O)c2c(Cl)ccc(Cl)c2Cl)CC1 761684493 FDCWFEJVBYHFRL-UHFFFAOYSA-N 318.631 4.685 30 20 DJED Fc1cccc(Oc2ccc(C=NOCc3cccnc3)cc2)c1 766452256 DRIVZKXUOHKYAA-UHFFFAOYSA-N 322.339 4.564 30 20 DJED CSc1ccc(/C=C/C(=O)c2cnn(C(C)(C)C)c2C)cc1 787186543 KLXCLEPAKZGNGY-DHZHZOJOSA-N 314.454 4.565 30 20 DJED O=C(/C=C/c1ccnc(Cl)c1Cl)c1ccc(F)c(F)c1 791435257 RFGCLJFUGKHTGC-DUXPYHPUSA-N 314.118 4.563 30 20 DJED Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccc2ccccc2c1 798369604 KOMCCPHYILJNOV-ZHACJKMWSA-N 304.393 4.822 30 20 DJED CSCCON=C(C)CC(C)(C)c1c[nH]c2ccccc12 799487046 ACOPNIUMFKPZNP-UHFFFAOYSA-N 304.459 4.591 30 20 DJED COc1ccccc1[C@@H](C)Sc1nc(Cl)c(C#N)s1 804510562 JZGFAVXEENTCNP-MRVPVSSYSA-N 310.831 4.530 30 20 DJED C#Cc1ccc(CNc2cccc(COCc3ccco3)c2)cc1 809597959 STNGVAQRJIWWAC-UHFFFAOYSA-N 317.388 4.590 30 20 DJED C#CC1CCN(C(=O)Nc2ccc(C(C)C)cc2C(C)C)CC1 831203527 VYNZXLQFDGIQIJ-UHFFFAOYSA-N 312.457 4.811 30 20 DJED C[C@@H](CCC#N)CNc1cccc(CC[C@H](O)c2ccccc2)c1 876859911 OMBFNHRMMHDOSN-UWJYYQICSA-N 322.452 4.705 30 20 DJED CC(=NNc1ncccc1C(F)(F)F)c1ccc(C)c(C)c1 915050776 CBIIQOCWULFDMN-UHFFFAOYSA-N 307.319 4.553 30 20 DJED CC(=NNc1ccc(Cl)cc1)c1nc2ccccc2s1 917563084 FBHBSANPOBVUME-UHFFFAOYSA-N 301.802 4.786 30 20 DJED COc1c(Cl)cc(Cl)cc1C=NNc1cccc(F)c1 921260349 ZDONQESZJUZLAM-UHFFFAOYSA-N 313.159 4.587 30 20 DJED Cc1nc(N[C@@H](c2ccccc2)C2CCCCC2)ccc1C#N 1162153518 XFWNTYXQXLBTKR-FQEVSTJZSA-N 305.425 4.995 30 20 DJED CC(C)c1cccc(COc2nc(C(C)(C)C)ccc2C#N)c1 1189574933 PVCAZIGBRLXORN-UHFFFAOYSA-N 308.425 4.953 30 20 DJED C=C(Br)CN1C[C@@H](c2ccccc2)c2ccccc21 1193933815 YHZGZMNNRNWLFR-INIZCTEOSA-N 314.226 4.547 30 20 DJED CCN(Cc1ccc(Cl)c(F)c1)[C@H](C)c1ccc(C#N)cc1 1307425434 GHKKZOZPGDNXPP-CYBMUJFWSA-N 316.807 4.934 30 20 DJED CCCN(C(=O)CC1(C#N)CCCCC1)c1ccc(Cl)cc1 1360504081 VIHFNQZBICMDRN-UHFFFAOYSA-N 318.848 4.947 30 20 DJED Cc1ccccc1C1(CNc2nccc(C)c2C#N)CCCCC1 1458156163 UHVIYCNMRODFDU-UHFFFAOYSA-N 319.452 4.884 30 20 DJED CC(C)C(C)(C)CNc1c(C#N)cnc2c(Cl)cccc12 1458325197 ISUCGQJZTXPZPZ-UHFFFAOYSA-N 301.821 4.854 30 20 DJED N#Cc1nc(N[C@H]2CCC[C@@H](c3ccccc3)C2)ccc1Cl 1458362618 HDORRFDVKMLVQB-CABCVRRESA-N 311.816 4.745 30 20 DJED Cc1csc(NC(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)c1C#N 1466472443 LRRVWBHLENIVQF-KBPBESRZSA-N 319.474 4.655 30 20 DJED CC[C@H](OC(=O)c1csc(C#N)c1)c1cccc(Cl)c1F 1523120808 NJARNVYSOVGXMC-ZDUSSCGKSA-N 323.776 4.720 30 20 DJED C[C@H](NC(=O)CC1(C#N)CCCCC1)c1cccc(C2CC2)c1 1523590279 ITEUADLVDCWXSB-HNNXBMFYSA-N 310.441 4.605 30 20 DJED C[C@@H]1C[C@@H](OC(=O)c2ccc(C(C)(C)C#N)cc2)CC(C)(C)C1 1530324683 ZYGFKVVWMMTZEQ-RHSMWYFYSA-N 313.441 4.859 30 20 DJED COc1cc(C#N)ccc1CN(c1cc(C)ccc1C)C(C)C 1559630542 VOVMIQMRPIHVFG-UHFFFAOYSA-N 308.425 4.599 30 20 DJED CC[C@H]1Cc2ccccc2CN1c1nc(C(C)(C)C)ccc1C#N 1642542573 XPLLFMCOIPCUFQ-SFHVURJKSA-N 319.452 4.592 30 20 DJED Cc1cc(C#N)ccc1Oc1ncnc2ccc(C(C)C)cc12 1651465511 WKSIPQMIZMOZGR-UHFFFAOYSA-N 303.365 4.726 30 20 DJED N#Cc1cnc(Nc2cccc(Oc3ccccc3)c2)c(F)c1 1654895874 CVYXKVFYWSQIDI-UHFFFAOYSA-N 305.312 4.628 30 20 DJED Cc1cc(C#N)ccc1Oc1cc(-c2cccc(Cl)c2)ncn1 1655072674 UAQZOXKQFSSSFQ-UHFFFAOYSA-N 321.767 4.769 30 20 DJED C[C@H](CCC#N)CN1CCC[C@@H]1c1ccc(Br)cc1 1663826203 BRAOSZYETWZLOW-CZUORRHYSA-N 321.262 4.526 30 20 DJED CC(=NNc1ccc(Cl)c(C(=O)O)c1)[C@H]1CCCC[C@H]1C 1776033807 KBQXFNGQPGYFRI-MFKMUULPSA-N 308.809 4.652 30 20 DJED CCC1(CC)CCC(=NNc2ccc(C(=O)O)c(F)c2)CC1 1776075899 MBZIEEKSAAPBQX-UHFFFAOYSA-N 306.381 4.672 30 20 DJED Cc1ccc(C#N)cc1NC(=O)CCc1ccc2ccccc2c1 63962407 WECXIYKOYMIEEI-UHFFFAOYSA-N 314.388 4.591 30 20 DJED CC(C)C[C@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 123164280 DNKPFQPWMMFQDX-KBPBESRZSA-N 319.474 4.637 30 20 DJED C[C@@H](NCc1ccc(C#N)cc1)c1cc2cc(Cl)ccc2o1 130264832 XGLJWYJQBYJRHW-GFCCVEGCSA-N 310.784 4.809 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc(OCC)cc1C 158469713 FHGLCWGCDPISQL-UHFFFAOYSA-N 304.434 4.604 30 20 DJED CC1(C)CCC(CC(=O)[C@H](C#N)c2nc3ccccc3o2)CC1 178716761 MQXGUOVWQBZCQH-AWEZNQCLSA-N 310.397 4.611 30 20 DJED C=C[C@@H](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ccccc1 179384215 UJNAAYVLWRXIME-HOTGVXAUSA-N 311.400 4.705 30 20 DJED N#CCC[C@H](NCc1ccccc1C(F)(F)F)c1ccccc1 181938571 OKADIZXFJRAOGV-KRWDZBQOSA-N 318.342 4.840 30 20 DJED CC(/C=C/C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C\c1ccccc1 207627256 ZFUWCRVGFJEHSG-RKZGRAQHSA-N 307.349 4.746 30 20 DJED Cc1cc(Br)cc(N[C@@H](C)c2cccc(C#N)c2)c1 230228383 KYFISLSMNGFVPM-LBPRGKRZSA-N 315.214 4.802 30 20 DJED N#Cc1ccc(Cl)cc1NCc1coc(-c2cccs2)n1 301263299 GWZSHEHINQXZHC-UHFFFAOYSA-N 315.785 4.540 30 20 DJED CC[C@H](Nc1snc(Cl)c1C#N)c1cccc(Cl)c1 301969131 ZUVLXXWOVUZBQT-NSHDSACASA-N 312.225 4.885 30 20 DJED C=CCCSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 303880592 YLJCLJCMYCJIHH-UHFFFAOYSA-N 319.433 4.874 30 20 DJED C[C@@H](CC(=O)N[C@H](CCCC#N)c1ccccc1)C(C)(C)C 352193463 SOUQDRLHDAMBAL-DOTOQJQBSA-N 300.446 4.610 30 20 DJED CCc1cccc(C)c1NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425629652 YQYUVGWHEPGEOT-OAHLLOKOSA-N 321.424 4.654 30 20 DJED CC(C)(C)CC(C)(C)NC(=O)N[C@H](CCC#N)c1ccccc1 440249560 ZSIHEYJGDKKWTA-MRXNPFEDSA-N 315.461 4.545 30 20 DJED Cc1cc2c(S[C@H](C)c3cccc(C#N)c3)ncnc2s1 443147174 VNDMBIKBTJZBKE-LLVKDONJSA-N 311.435 4.725 30 20 DJED C=C(C)CN(CC)C(=O)CCCc1csc2ccccc12 445522741 WYMFQXIVTYHNAD-UHFFFAOYSA-N 301.455 4.649 30 20 DJED C[C@H](CN[C@H]1CCC[C@@H](C#N)C1)c1c(Cl)cccc1Cl 463303229 QMDMAARNVKSYPN-UPJWGTAASA-N 311.256 4.769 30 20 DJED C=CCCCCCN(C)C(=O)NC[C@H](C)Sc1ccccc1 466304854 BYNCOVYGWXJRMS-INIZCTEOSA-N 320.502 4.555 30 20 DJED C=CC[C@@H](CC)NC(=O)N1CC=C(c2cccc3ccccc23)C1 466377115 QYKHXFGJFZBMCZ-GOSISDBHSA-N 320.436 4.603 30 20 DJED C=CCC1(C(=O)N2CC[C@H](c3ccccc3)[C@H](CC)C2)CCC1 479873074 NSFDTMWDPBWBJI-MJGOQNOKSA-N 311.469 4.775 30 20 DJED C=CC[C@@H](C(=O)Nc1nccc2sccc12)c1ccccc1 490240712 IJMZSTODXQARAU-CQSZACIVSA-N 308.406 4.595 30 20 DJED C=CCOc1ccc(CN(Cc2nccs2)C(C)(C)C)cc1 506041941 ZDTGDJZMOAOOOY-UHFFFAOYSA-N 316.470 4.509 30 20 DJED Cc1c(CS[C@@H](C)c2ccc(C#N)cc2)cccc1[N+](=O)[O-] 522842246 MJLCZKHLIUKILR-ZDUSSCGKSA-N 312.394 4.769 30 20 DJED C=C[C@@H](CC(=O)N[C@@H](C)c1cccc(OCC)c1)c1ccccc1 536094015 DBQRZRUXIXLYEL-IRXDYDNUSA-N 323.436 4.622 30 20 DJED C=CC[C@@H](C)[C@@H](C)Nc1cccc2c1CN(c1ccccn1)C2 538592113 LDKMEJCJYDBYQB-HZPDHXFCSA-N 307.441 4.614 30 20 DJED CC(C)(CCC#N)CN[C@H](c1ccc(F)cc1)C1CCCC1 558238300 FOJCEFXQGZRVQK-SFHVURJKSA-N 302.437 4.977 30 20 DJED Cc1ccccc1-c1noc([C@H](C)SCC2(C#N)CCC2)n1 574428327 BUPCZBYUCRABPT-ZDUSSCGKSA-N 313.426 4.533 30 20 DJED N#CCC1(CSCc2csc(-c3cccs3)n2)CC1 596326109 XNLWTGVKRWQOGY-UHFFFAOYSA-N 306.481 4.799 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccc2oc(CC)nc2c1 606947157 KPEWMMNYARTNBI-UHFFFAOYSA-N 315.417 4.600 30 20 DJED CC(C)c1ccc(C(C)(C)NCc2ccc(F)c(C#N)c2)cc1 610719754 FIOOIYORUZKBAQ-UHFFFAOYSA-N 310.416 4.846 30 20 DJED Cc1ccnc(COc2ccc(-c3ccc(C#N)cc3)cc2)c1 616200586 QBXRBAPQUHSLQQ-UHFFFAOYSA-N 300.361 4.508 30 20 DJED Cc1ccsc1C(=O)/C=C\c1c(C)nn(-c2ccccc2)c1C 733749396 VQQDJPIFMHHFJW-KTKRTIGZSA-N 322.433 4.755 30 20 DJED C#Cc1cccc(N(C(=O)C[C@H]2CCc3ccccc32)C(C)C)c1 734392682 QJFFHYVJNIVVAY-LJQANCHMSA-N 317.432 4.529 30 20 DJED C=CC[C@@H](NCc1ccc(CSC(F)F)o1)c1ccncc1 734509189 IHRJZUKNWGAXMT-OAHLLOKOSA-N 324.396 4.537 30 20 DJED COCc1ccc(/C=C\C(=O)c2ccccc2C(F)(F)F)cc1 741839995 ABMVZJYMPWZWNH-KHPPLWFESA-N 320.310 4.748 30 20 DJED CSc1ccc(C(=O)/C=C/c2ccc(F)cc2F)cc1F 741846323 DCQHSVMCIAZYKS-ZZXKWVIFSA-N 308.324 4.722 30 20 DJED Clc1ccc(NN=C2c3ccccc3-c3ccccc32)cn1 743450676 XCQLKLQGRHASGV-UHFFFAOYSA-N 305.768 4.580 30 20 DJED CCCCCCC[C@@H](C)CNC(=O)[C@H](C)c1c(C)noc1C 749793979 CDGREAUOGBRHJI-ZIAGYGMSSA-N 308.466 4.508 30 20 DJED Clc1cccc(C2CC(=NNc3cnc4ccccc4n3)C2)c1 753922343 SEUBCENMWDOCLK-UHFFFAOYSA-N 322.799 4.629 30 20 DJED C=CC[C@H](N[C@@H](C)c1ccc2ccccc2c1O)c1ccncc1 756582484 JBCBZUNXJAWCRZ-YWZLYKJASA-N 318.420 4.908 30 20 DJED CC(C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)=C1CCCC1 765938820 MNXYRYGAHYDGLM-ZDUSSCGKSA-N 314.385 4.502 30 20 DJED N#Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1Cl 777402675 XXAFSVSHXGYYOS-UHFFFAOYSA-N 306.752 4.617 30 20 DJED Cc1ccc2c(c1C)C(=O)/C(=C/c1ccc3cnccc3c1)CO2 782343525 WQPQYOZJDAWARA-VCHYOVAHSA-N 315.372 4.510 30 20 DJED CC(C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)=C1CCCC1 797569105 NDVUYDGVBHKJTR-CYBMUJFWSA-N 302.443 4.507 30 20 DJED CC(/C=C\C(=O)c1cccnc1)=C/c1ccccc1C(F)(F)F 799889689 RLUHLGLFXZTAQO-KJAVDWBKSA-N 317.310 4.943 30 20 DJED C=CCOc1ccccc1C(=O)Nc1ccc2ccccc2c1 913465497 HOSQTDOLLBIUMT-UHFFFAOYSA-N 303.361 4.657 30 20 DJED CCn1nc(C)c(C(=O)/C=C\c2c(Cl)cccc2Cl)c1C 920927494 ASTIJOXSNIFPKB-HJWRWDBZSA-N 323.223 4.723 30 20 DJED C[C@H](CC(C)(C)C#N)Nc1ccc(NC(=O)OC(C)(C)C)cc1 926036882 NFUZESBQEPXRPA-CYBMUJFWSA-N 317.433 4.774 30 20 DJED C[C@@H](Sc1nc2c(cc1C#N)CCCC2)c1ccccc1F 1188565752 QXQWNAPLUWHJQO-GFCCVEGCSA-N 312.413 4.824 30 20 DJED C[C@H](c1cccc(C#N)c1)N1CC[C@](C)(CCc2ccccc2)C1 1191444105 ICWLLXIYYOEAPH-GCJKJVERSA-N 318.464 4.964 30 20 DJED CCC[C@H](CCc1ccccc1)Nc1nc(C#N)c(Cl)s1 1306977251 CPHWGVKVYHDXRC-CYBMUJFWSA-N 319.861 4.882 30 20 DJED N#Cc1cc(CSc2ccc(Cl)cc2C#N)ccc1F 1307310660 SSIHZUMBABPDOT-UHFFFAOYSA-N 302.761 4.515 30 20 DJED N#CCc1ccc(NCc2cnc(-c3ccccc3F)s2)cc1 1308215281 LHPTXLLLDOSYNM-UHFFFAOYSA-N 323.396 4.627 30 20 DJED CC(=NNc1cccc2ccccc12)c1c(C)nc2sccn12 1324781523 ABMCYNOVSSPVTD-UHFFFAOYSA-N 320.421 4.694 30 20 DJED CC[C@H](C)c1nnc(-c2cc(C)n(-c3ccc(C#N)cc3)c2C)o1 1326498281 YZDHBIHTTPRIAF-LBPRGKRZSA-N 320.396 4.529 30 20 DJED CC[C@H](C#N)[C@@H](OC(=O)c1ccc(SC)o1)c1cccs1 1345148375 VWTNLRIDLHOJNT-QMTHXVAHSA-N 321.423 4.511 30 20 DJED C[C@H](C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C1CCC1 1435999340 XTSQXPOCBPTYCB-AWEZNQCLSA-N 320.392 4.725 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@@H]1CNCc1ccc(C#N)cc1F 1461131316 OKAIIVJKAKCLGK-NVXWUHKLSA-N 302.437 4.639 30 20 DJED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)[C@@H](C)c1ccc(Cl)cc1 1462205499 YPLSKKFZEGMILH-CKNLXJGOSA-N 324.855 4.981 30 20 DJED N#Cc1nc(Nc2ccc(OC3CCCC3)cc2)ccc1Cl 1472653066 LRZLJJVUNRLUFN-UHFFFAOYSA-N 313.788 4.672 30 20 DJED COc1ccc(CNC[C@@H]2CCCC[C@H]2C(C)(C)C)cc1C#N 1473969799 VWMZEIDCVYOTLG-FUHWJXTLSA-N 314.473 4.509 30 20 DJED CC(C)C(C)(C)C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@@H](C)CC2 1527539703 ORCAWKAEXQQDPY-NWDGAFQWSA-N 318.486 4.926 30 20 DJED N#Cc1ccccc1Sc1ccccc1C(=O)OC1CCCC1 1530332561 BFENCZDOKRWJSE-UHFFFAOYSA-N 323.417 4.809 30 20 DJED C[C@@H](OC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(C#N)c1 1544194462 ZTVHDHIQHYGQGA-CQSZACIVSA-N 307.393 4.774 30 20 DJED CC[C@@H](Cc1ccc(Cl)cc1)Nc1c(C#N)cccc1C#N 1559102886 HKOHZEYLGIHVBW-KRWDZBQOSA-N 309.800 4.517 30 20 DJED COc1cccc(-c2nc(CSc3cccc(C#N)c3)co2)c1 1559379033 ZZHYOBOZDVYKMK-UHFFFAOYSA-N 322.389 4.514 30 20 DJED Cc1cc(C)c(N[C@@H]2CCC[C@H](C#N)C2)cc1Br 1560769999 NXYJDLZUYLJASP-QWHCGFSZSA-N 307.235 4.560 30 20 DJED CC(C)c1nc(NCC(C)(C)CCC#N)cc(C(C)(C)C)n1 1639991104 MJHBHKHWGXGAEJ-UHFFFAOYSA-N 302.466 4.639 30 20 DJED Cc1cc(CN[C@@H](c2ccccc2)C2CCCC2)ccc1C#N 1648941721 WROVWCAKXLMLGX-NRFANRHFSA-N 304.437 4.888 30 20 DJED Cc1nsc(Oc2cccc(Oc3ccccc3)c2)c1C#N 1651311540 MIRZGDYGSHUYCN-UHFFFAOYSA-N 308.362 4.908 30 20 DJED CCOc1ccc(C#N)cc1N[C@H](C)C1CCC(F)(F)CC1 1652158520 HJDNVRJISHHULC-GFCCVEGCSA-N 308.372 4.583 30 20 DJED CC(C)(C)[C@@H]1CCC[C@@H](NCc2cccc(OCC#N)c2)CC1 1657211250 XOCWISCPMLPGCD-QZTJIDSGSA-N 314.473 4.674 30 20 DJED Cc1cc(CN2CCC(c3ccc(F)cc3C)CC2)ccc1C#N 1658206079 UEAJVLFVYLHIHP-UHFFFAOYSA-N 322.427 4.694 30 20 DJED N#CC1CCN(Cc2cccc(-c3ccc(Cl)cc3)c2)CC1 1658935956 GJERZYFGTAPTHO-UHFFFAOYSA-N 310.828 4.743 30 20 DJED CC(C)CC[C@@H](NC(=O)Nc1cc(F)cc(C#N)c1)C(C)(C)C 1673773319 FBKFFFRABVYSPL-MRXNPFEDSA-N 319.424 4.670 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)CC1=CCCCC1 66801914 KDKDLNRXMBPHJO-AWEZNQCLSA-N 314.454 4.910 30 20 DJED Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)o1 68824801 DFYCGQAJWCMXPM-UHFFFAOYSA-N 318.332 4.504 30 20 DJED C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc(F)cc1F 79724193 YYECZVRXPXWZMG-CYBMUJFWSA-N 316.351 4.820 30 20 DJED CCCCCC[C@H](CC)C(=O)Nc1ccc(F)cc1OCC#N 120796264 HGDSCFXFZYLIHJ-AWEZNQCLSA-N 320.408 4.663 30 20 DJED N#Cc1ccc(CNCc2ccc(Sc3ccccc3)cc2)o1 121939283 DOHTXUFJXJNYPA-UHFFFAOYSA-N 320.417 4.592 30 20 DJED N#Cc1ccc(OCc2ccc(Br)cc2)cc1Cl 125104079 QGJRVRPZESUJTO-UHFFFAOYSA-N 322.589 4.553 30 20 DJED C=C(C)COc1cccc(NCc2ccc(O[C@@H](C)C#N)cc2)c1 129266821 VXNXFDMEOPGNIB-INIZCTEOSA-N 322.408 4.544 30 20 DJED C[C@H](N[C@H]1c2ccccc2CC[C@@H]1C)c1ccc(OCC#N)cc1 182090003 FERZNLYKXKZVNU-CKJXQJPGSA-N 320.436 4.563 30 20 DJED C#CCCCC(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 192012825 JKOMMCPUYVQSIK-MRXNPFEDSA-N 306.409 4.602 30 20 DJED Cc1ccsc1/C=C\C(=O)c1cc(Br)cs1 210592546 YZOUNNXCHHBSHB-IHWYPQMZSA-N 313.241 4.777 30 20 DJED C[C@H](Nc1snc(Cl)c1C#N)c1ccc(F)cc1Cl 301287838 RNJCZONPIPTPEG-LURJTMIESA-N 316.188 4.634 30 20 DJED C=CCC[C@@H](Nc1snc(Cl)c1C#N)c1ccccc1 301801851 WKUMEJPTKQPSEP-CYBMUJFWSA-N 303.818 4.788 30 20 DJED N=C(O)[C@@H]1CCCC[C@@H]1/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 329175360 MAHALIPYFACIQS-GCSSGZNBSA-N 306.450 4.643 30 20 DJED O/C(C/N=C(/O)C1(C2CCCCC2)CCCCC1)=N/C1CC1 329947132 JWLIFOAXMWMMJN-UHFFFAOYSA-N 306.450 4.593 30 20 DJED Cc1ccc(F)cc1N=C(O)C1CCC(/N=C(/O)C2CC2)CC1 329986735 FNTLLJDLWLPOOO-UHFFFAOYSA-N 318.392 4.647 30 20 DJED Cc1cc(Cl)c2c(c1)[C@H](NCC(C)(C)CCC#N)CCCO2 348199200 OXMVUYNHKUJDKE-MRXNPFEDSA-N 320.864 4.782 30 20 DJED CC(C)(C#N)CCn1nc(-c2ccccc2)nc1-c1ccccc1 410320023 PUNBPVMMPHUWKX-UHFFFAOYSA-N 316.408 4.552 30 20 DJED C=CCC(C)(C)CNC(=O)Nc1ccc(-c2nccs2)cc1 432627840 WSUBRCVEIKXILQ-UHFFFAOYSA-N 315.442 4.534 30 20 DJED CC[C@H](Nc1cccc2ccc(C)nc12)c1ccc(C#N)cc1 447595876 AXEWDRWBSHPKMD-SFHVURJKSA-N 301.393 4.978 30 20 DJED C=CCN(Cc1cccs1)C(=O)C(C)(C)Cc1ccccc1 448137337 NCVGCVCZBMMJEU-UHFFFAOYSA-N 313.466 4.532 30 20 DJED C=CC[C@@H](CC)N[C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 467417281 KGLIHRNBYLNGTD-DOTOQJQBSA-N 317.477 4.566 30 20 DJED C=CCC(CC=C)C(=O)N(CC=C)Cc1ccc(Cl)s1 467732606 RBFSASGWFKXPSH-UHFFFAOYSA-N 309.862 4.685 30 20 DJED Cc1cc(C)cc([C@H](C)NC(=O)c2ccc(C(C)(C)C#N)cc2)c1 475757445 GUDUAFZBMBDTEG-INIZCTEOSA-N 320.436 4.596 30 20 DJED N#Cc1cccc(C#N)c1N[C@@H]1CCCc2sc(Cl)cc21 488723125 VTPICSBPEZRLBV-CYBMUJFWSA-N 313.813 4.634 30 20 DJED C[C@H]1C[C@]1(NCCCCC(C)(C)C#N)c1ccc(Cl)cc1 503412475 VCPLWZWTPIMYCE-KBXCAEBGSA-N 304.865 4.885 30 20 DJED COc1ccccc1-c1ccc(/C=C/c2ccncc2C#N)cc1 504713434 WCYISOQRKXPJNS-RMKNXTFCSA-N 312.372 4.799 30 20 DJED CN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)C(C)(C)C 515653236 XXVYRZUHPFFQCX-UHFFFAOYSA-N 324.449 4.580 30 20 DJED C[C@@H](NC[C@@H](c1ccccc1)C1CC1)c1ccc(C#N)cc1F 517722275 YVGNYVXEIYSCSH-KUHUBIRLSA-N 308.400 4.542 30 20 DJED N#Cc1ccc(NC(=O)N2CCCC23CCCCC3)cc1Cl 534741264 BTDZVHKACRYMOB-UHFFFAOYSA-N 317.820 4.542 30 20 DJED Cc1ccccc1[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C1CC1 539608628 VMISFAKDQKJACR-VBKZILBWSA-N 308.400 4.808 30 20 DJED C=C[C@H](Cc1nc(-c2ccc3[nH]ccc3c2)no1)c1ccccc1 547019561 BOGSPCCTNCJHLB-CQSZACIVSA-N 315.376 4.730 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1sccc1Cl 555014753 MGUQAVNYBGXDRJ-UHFFFAOYSA-N 304.846 4.684 30 20 DJED CSc1ccc2c(c1)[C@@H](NCC1CCC(C#N)CC1)CCC2 565716092 HIJKOFBRGWHFBD-ZOJXTTQQSA-N 314.498 4.705 30 20 DJED N#Cc1ccc2c(c1)[C@@H](N[C@@H](c1ccc(F)cc1)C1CCC1)CC2 583722584 FIZRSPFRLGUFQX-LEWJYISDSA-N 320.411 4.816 30 20 DJED N#CCC1(CSCc2ccc(OCc3ccccc3)nc2)CC1 596370873 VEIAIFJHSDNSHV-UHFFFAOYSA-N 324.449 4.588 30 20 DJED N#Cc1ccc(F)c(CSCc2cc(-c3ccccc3)no2)c1 609236393 XVGZWRQQCDUUNU-UHFFFAOYSA-N 324.380 4.786 30 20 DJED CC(C)[C@@H](CC(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 610359261 HJEDCRKIFOOHBT-OXJNMPFZSA-N 320.436 4.565 30 20 DJED CCCC[C@@H](C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 619689292 YEIRBBJIXKMCON-CQSZACIVSA-N 323.396 4.510 30 20 DJED Clc1ccc(-c2ccc(C=Nn3cnc4ccccc43)o2)cc1 725849608 NOSXSGNHSCOZSU-UHFFFAOYSA-N 321.767 4.832 30 20 DJED Cc1cc(C)c(C(=O)/C=C\c2ccc(O[C@H](C)C#N)cc2)cc1C 728695805 HOBYYSOAIOAAOW-CGQZWFTASA-N 319.404 4.799 30 20 DJED C=CCCCOC(=O)c1csc(-c2ccccc2Cl)n1 735533840 LTFXECKBSSVNDD-UHFFFAOYSA-N 307.802 4.587 30 20 DJED Cc1sc2ncnc(NN=C3CCC[C@@H](C4CC4)C3)c2c1C 737421758 VYMYITWGGVTAMU-CYBMUJFWSA-N 314.458 4.676 30 20 DJED CCOc1cccc(C(=O)/C=C/c2nccc3ccccc23)c1 740765198 RWPVMEXGCUOOQJ-ZHACJKMWSA-N 303.361 4.530 30 20 DJED Clc1ccc([C@@H]2CCCC2=NNc2ccc(Cl)nn2)cc1 741453503 RDZHFFOSBJGGPG-LBPRGKRZSA-N 321.211 4.519 30 20 DJED COCc1cccc(/C=C\C(=O)c2ccccc2C(F)(F)F)c1 742429696 VOZQZZNFYFHXNL-KTKRTIGZSA-N 320.310 4.748 30 20 DJED CCOc1cccc([C@H](C)/N=C\c2cc3ccccc3nc2O)c1 745011832 AJFYVUMMBZAOIZ-DTHVTWRFSA-N 320.392 4.519 30 20 DJED CSc1ccc2c(c1)CC/C(=C\c1ccc3c(c1)CCO3)C2=O 748147477 ORBWKSDZIYYOMR-LFIBNONCSA-N 322.429 4.556 30 20 DJED N#Cc1c(F)ccc(/C=C/C(=O)c2cc(F)cc(F)c2)c1Cl 761478444 HGOYKIJUKQHCDW-DUXPYHPUSA-N 321.685 4.525 30 20 DJED N#Cc1ccc(CN[C@H]2CCCc3c2sc2ccccc32)cc1 765016531 VVWSIFMVARMIST-SFHVURJKSA-N 318.445 4.940 30 20 DJED CSc1ccc(C(=O)/C=C/c2ccc(O)cc2)c(Cl)c1 765613148 HQNCNJLJZRBWFQ-RUDMXATFSA-N 304.798 4.664 30 20 DJED Cc1c([C@H](C)OC(=O)C2(C#N)CCCC2)sc2ccccc12 767579462 REJYXIPMLRVYFR-ZDUSSCGKSA-N 313.422 4.898 30 20 DJED C(=NNc1cccc2cnccc12)c1cccc(-c2cccnc2)c1 768484355 IUVCZSPMZHZPCU-UHFFFAOYSA-N 324.387 4.743 30 20 DJED CCCCCCCCc1nnc(NCc2nccs2)s1 777508289 KLKNNFDSDWGNIY-UHFFFAOYSA-N 310.492 4.510 30 20 DJED C#CCCCCCC(=O)N1CC=C(c2ccc(Cl)cc2)CC1 779928328 BFLXITNYLJHJAB-UHFFFAOYSA-N 315.844 4.539 30 20 DJED C#CCCCCCC(=O)N1CC[C@H](c2ccccc2)[C@H](CC)C1 779931595 RFWKIMJIOYPNRR-QUCCMNQESA-N 311.469 4.612 30 20 DJED O=C(/C=C/c1scnc1C1CC1)c1ccc2cc(O)ccc2c1 782341493 KSCZSXKIXDKIDS-BQYQJAHWSA-N 321.401 4.775 30 20 DJED C=CC[C@@H](N[C@@H](CC)c1cccc(Cl)c1O)c1ccncc1 806139970 TUKGXRLNSIOAST-DLBZAZTESA-N 316.832 4.799 30 20 DJED C[C@]1(c2ccccc2)CCC(=NNc2nccnc2C2CCC2)C1 807994418 RNRRIMWPGAWTFU-FQEVSTJZSA-N 320.440 4.654 30 20 DJED N#CC1(c2ccc(-c3ccc4ccoc4c3)cc2)CCOCC1 854200824 XXHBSEWBTZEJAO-UHFFFAOYSA-N 303.361 4.672 30 20 DJED N#CC1(CCCCSc2nnc(-c3cccs3)o2)CCC1 901393942 PTVSWBGSRLLDKC-UHFFFAOYSA-N 319.455 4.754 30 20 DJED Cc1ccc(-c2ccc(/C=C/C(=O)c3c(C)nn(C)c3C)o2)cc1 920832009 ACYWIFWSENPCIQ-PKNBQFBNSA-N 320.392 4.501 30 20 DJED CC1(C)CCC(CC(=O)Nc2sc3c(c2C#N)CCC3)CC1 1124215048 YPGMFNGKJBVKKH-UHFFFAOYSA-N 316.470 4.653 30 20 DJED Cc1cccc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)c1 1129472788 XRLJWLAFRLXZQW-OLZOCXBDSA-N 324.449 4.866 30 20 DJED CCc1ccc([C@H](C)C(=O)Nc2ccc(Cl)cc2C#N)cc1 1131137879 SUBNBZAPBQXQQD-LBPRGKRZSA-N 312.800 4.516 30 20 DJED N#CC[C@H](CC(=O)Nc1ccc(C(F)F)cc1)c1ccccc1 1134356788 MMOLKCQWDYQJOQ-OAHLLOKOSA-N 314.335 4.650 30 20 DJED CC[C@H](Cc1cccs1)N[C@@H]1CCCc2cc(C#N)ccc21 1182433890 LFHNNRNRCRNUFP-VQIMIIECSA-N 310.466 4.608 30 20 DJED C=C(CNC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 1197908395 QCMJNGFUQOSRHX-UHFFFAOYSA-N 320.314 4.540 30 20 DJED CC(C)Cc1cccc([C@H](C)C(=O)Nc2ccc(F)c(C#N)c2)c1 1264923943 ZAJROMBDNSKZKD-AWEZNQCLSA-N 324.399 4.638 30 20 DJED C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C2CCC2)cc1 1270745989 JCYIFKXNYHTIHB-OAHLLOKOSA-N 318.420 4.643 30 20 DJED CC(C)(C#N)CCN(Cc1ccc(Cl)c(Cl)c1)C1CC1 1307423938 KRLIIZWOGYVQGP-UHFFFAOYSA-N 311.256 4.898 30 20 DJED Cc1cccc2oc(C(=O)[C@@H](C#N)c3nc(C4CC4)cs3)cc12 1345070334 GXSJPHJLYCNTPW-CYBMUJFWSA-N 322.389 4.565 30 20 DJED C=C(CNC(=O)N1CCC[C@H](C(C)(C)C)CC1)c1ccccc1 1470420486 OVPLTMYUUTUCOP-SFHVURJKSA-N 314.473 4.558 30 20 DJED Cc1cc(F)cc2c1N(Cc1ccc(C#N)cc1Cl)CCC2 1473240703 SZIHGTRNDJLVPU-UHFFFAOYSA-N 314.791 4.612 30 20 DJED CCCCC1CCC(CNC(=O)[C@]2(C#N)CC23CCCC3)CC1 1528187706 YWIQMLAGZBHGQH-LBXVMSDZSA-N 316.489 4.573 30 20 DJED Cc1cc(C(=O)N(c2ccccc2C#N)C2CCC2)cc(C)c1F 1532033746 UYBYEDIIRLMSIP-UHFFFAOYSA-N 322.383 4.514 30 20 DJED Cc1ccc(C#N)cc1C(=O)NC(C)(C)c1ccc(C(C)C)cc1 1532346716 UBYRMMOAIPNXFP-UHFFFAOYSA-N 320.436 4.655 30 20 DJED CC1(C(=O)OCc2ccccc2Oc2ccccc2C#N)CCC1 1540145411 XYEMPGWSTCQDMU-UHFFFAOYSA-N 321.376 4.584 30 20 DJED C[C@@H]1C[C@@H]1c1ccc(CNc2nc(C(C)(C)C)ccc2C#N)o1 1559074739 DIOFCHVFRQBRLX-DOMZBBRYSA-N 309.413 4.579 30 20 DJED Cc1csc(NC(=O)N2CC[C@H](C(C)(C)C)C[C@@H]2C)c1C#N 1562766386 BPSIFDJCLPGGNW-STQMWFEESA-N 319.474 4.607 30 20 DJED CC[C@H](C(=O)OCc1ccc(CC#N)cc1)C1CCC(C)CC1 1583541613 YXINRHUWQZAVLV-PPSBMQLTSA-N 313.441 4.648 30 20 DJED N#Cc1ccccc1Oc1ccccc1COC(=O)CC1CCC1 1587338519 VMNCHTKEGLTBNX-UHFFFAOYSA-N 321.376 4.584 30 20 DJED C[C@H]1C[C@@H](CCNC(=O)Nc2ccc(C#N)cc2)CC(C)(C)C1 1622711829 GPHRKRRUOMOTGQ-GOEBONIOSA-N 313.445 4.532 30 20 DJED N#Cc1cccc(SCc2ccc(CN3CCCCC3)cc2)c1 1640957086 FWYUADFJKJMZPC-UHFFFAOYSA-N 322.477 4.836 30 20 DJED COc1ccc(C#N)cc1N[C@H]1CCC[C@H](C(C)(C)C)CC1 1652158736 KZDCHVRYEKNIDN-HOTGVXAUSA-N 300.446 4.974 30 20 DJED CCC[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCC1 1667341613 HTBRZLWJXJKPOY-MRXNPFEDSA-N 319.836 4.692 30 20 DJED CCC(CC)N(CC(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 1667342228 UMYPABUZVHUWSC-UHFFFAOYSA-N 321.852 4.890 30 20 DJED CC(=NNc1cccc(C(=O)O)c1C)c1ccc(C(C)C)cc1 1776086504 YDGXYVPCAXGUCK-UHFFFAOYSA-N 310.397 4.653 30 20 DJED O=C(/C=C/c1cccc(OCc2ccccc2)c1)c1cccnc1 5128292 SHVOSGOYECQDBH-VAWYXSNFSA-N 315.372 4.557 30 20 DJED Cc1ccccc1[C@H](NCc1ccc(O[C@H](C)C#N)cc1)C(C)C 69879771 ZHHPTPIVCTVMJI-DYESRHJHSA-N 322.452 4.773 30 20 DJED CC[C@@H](C)Sc1ccc(NC(=O)N(C)[C@@H](C)CC#N)c(C)c1 86284767 PQRKHROADFJVJL-UONOGXRCSA-N 319.474 4.652 30 20 DJED Cc1nc(C(C)C)sc1[C@H](C)N(C)CC(C)(C)CCC#N 93821690 BRHATRMXTWJQGA-AWEZNQCLSA-N 307.507 4.898 30 20 DJED CC(C)Sc1ccccc1NC(=O)CCc1ccc(C#N)cc1 122037431 BNGFZLRGFDKVCM-UHFFFAOYSA-N 324.449 4.630 30 20 DJED C=CCCCCCN(C)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 156729338 KHGQYVQTXBCGED-ZIAGYGMSSA-N 305.384 4.560 30 20 DJED CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(C)C 171382133 WIIUFNUEYXLVGR-UHFFFAOYSA-N 323.396 4.613 30 20 DJED COc1ccc(OC(C)C)c(N[C@@H](C)c2cccc(C#N)c2)c1 179795033 KPPWKXXYDLHKGS-AWEZNQCLSA-N 310.397 4.527 30 20 DJED CCC[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(F)cc1F 181662745 GMECEAHOYIZDPX-GOSISDBHSA-N 318.342 4.607 30 20 DJED O=C(/C=C\c1csc(Br)c1)c1cccc(F)c1 216437655 OGLLFDOOTLVHQL-PLNGDYQASA-N 311.175 4.546 30 20 DJED C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccsc2)c1 303131169 BWGRXAZAECEEHG-UHFFFAOYSA-N 323.442 4.638 30 20 DJED Cc1cc(Cl)cc2nc(SCc3cccc(C#N)c3)oc12 303690198 PJOBKVWRYNFNRQ-UHFFFAOYSA-N 314.797 4.954 30 20 DJED CCCCCCCCCCNc1ccc([N+](=O)[O-])c(C(=O)O)c1 321150709 MAKYHCYASYOPDI-UHFFFAOYSA-N 322.405 4.846 30 20 DJED Cc1cccc(C2(/N=C(/O)c3ncoc3C3CC3)CCCC2)c1 328865726 NMCFFVATNRVCNK-UHFFFAOYSA-N 310.397 4.635 30 20 DJED N#Cc1c(N=C(O)CSCC2CC2)sc2c1CCCCC2 329537831 BTCYLKZUSALNLO-UHFFFAOYSA-N 320.483 4.620 30 20 DJED CC(C)c1ccsc1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416113110 WQDRNOXNGLIVIY-QGZVFWFLSA-N 324.449 4.551 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(F)cc1Cl 418152045 XLXMBMYNJASSJT-GOSISDBHSA-N 314.791 4.518 30 20 DJED Cc1ccc(C2CC2)c(C(=O)Nc2ccc(CC#N)cc2Cl)c1 425604803 KUJDNSAJLQSIRR-UHFFFAOYSA-N 324.811 4.844 30 20 DJED CC(C)CC1(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 440488854 SDYXFHRZYQRFCW-CQSZACIVSA-N 316.470 4.703 30 20 DJED COc1cccc([C@@H]2C[C@@H](C)CN2CCCCC(C)(C)C#N)c1 444689146 MKDSGPCJLILGKE-APWZRJJASA-N 314.473 4.798 30 20 DJED Cc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)c(Cl)c1 474072031 APEPTSBNZYMHCN-HNNXBMFYSA-N 312.800 4.675 30 20 DJED CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 476078998 IVBYCGKZLPQUTH-YJBOKZPZSA-N 312.457 4.529 30 20 DJED C=CCCCC(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 479534376 WADDAJRNHBBUPV-KRWDZBQOSA-N 307.437 4.680 30 20 DJED C=CCC[C@H](C(=O)N(C)Cc1ccc(C)s1)c1ccccc1 488355258 MHWAZRZDGZDIAL-SFHVURJKSA-N 313.466 4.765 30 20 DJED CC(C)c1cccc(-c2ccc(C(=O)N(C)CC(C)(C)C#N)o2)c1 497279803 ZNUKKKQGEZEZRY-UHFFFAOYSA-N 324.424 4.692 30 20 DJED C=CC[C@H](C)NC(=O)c1sc(-c2ccccc2)cc1OCC 523962987 PUHYQYMQGIMJBK-ZDUSSCGKSA-N 315.438 4.508 30 20 DJED CC(C)N(CCC#N)Cc1ccc(F)c(-c2cccs2)c1 535796165 ZPZGEDAZMITATN-UHFFFAOYSA-N 302.418 4.678 30 20 DJED C=CCCC[C@H](C)NC(=O)N(CC)Cc1ccc(Cl)s1 539389878 FUFKZKANQXFQFY-LBPRGKRZSA-N 314.882 4.678 30 20 DJED C[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc2c(c1)CCCC2 544896411 DFQUDKNJAYXEKU-LSDHHAIUSA-N 322.427 4.988 30 20 DJED C[C@@H]1CCCC[C@H]1c1noc(-c2ccc(C3(C#N)CC3)cc2)n1 547098744 QTTUMKOSTSIHEM-CZUORRHYSA-N 307.397 4.585 30 20 DJED C=C(C)C[C@@H](C)C(=O)N1CC[C@H](C)C[C@@H]1c1ccccc1OC 553488397 XLEOLSQPQGXTTO-LZLYRXPVSA-N 315.457 4.597 30 20 DJED Cc1ccsc1[C@H](Cc1ccccc1)N[C@H]1CC[C@H](C#N)C1 561032854 CWFVLRGDRWFLQN-BZSNNMDCSA-N 310.466 4.622 30 20 DJED N#CC[C@H]1CCCN(Cc2ccc(-c3ccccc3F)s2)C1 597173223 GYPMEYQEBAWMOS-CQSZACIVSA-N 314.429 4.680 30 20 DJED Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCCc2cc(C#N)ccc21 611392404 QIBNWBLCXZCFDG-LEWJYISDSA-N 302.421 4.521 30 20 DJED CCCCCCCCCCC(=O)N1CCC[C@@H](c2cc[nH]n2)C1 726530282 FVHVFAPLGXLKLC-QGZVFWFLSA-N 319.493 4.647 30 20 DJED C=CCc1cc(/C=C\C(=O)c2cc(C)cc(C)c2)cc(OC)c1O 730436760 LWIOZXUSMICCPI-FPLPWBNLSA-N 322.404 4.642 30 20 DJED C=CC1CCN(C(=S)Nc2ccc(Cl)c(Cl)c2)CC1 731941726 AIAHRLUTIYKXKX-UHFFFAOYSA-N 315.269 4.588 30 20 DJED CCC(=NNc1cnnc2ccccc12)c1ccc(Cl)s1 733747985 AMULEJPNYLTJLF-UHFFFAOYSA-N 316.817 4.571 30 20 DJED C[C@H](CC1CCCC1)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 734078898 DQWKBAQLYOUDCO-PBHICJAKSA-N 306.409 4.627 30 20 DJED O=C(/C=C/c1ccc(F)cc1F)c1cccc(-c2ccncc2)c1 741474286 WVWMIYZSWNVYGO-FNORWQNLSA-N 321.326 4.923 30 20 DJED C#CCCCNC(=S)Nc1c(C(C)C)cccc1C(C)C 743011855 SUCWVMCJWHMJHL-UHFFFAOYSA-N 302.487 4.633 30 20 DJED FC(F)(F)c1ccc2sc(NN=CC3CCCC3)nc2c1 743444399 LTIXCSQHYZNAFA-UHFFFAOYSA-N 313.348 4.903 30 20 DJED C[C@H](C#N)Oc1ccccc1NCCc1ccc2ccccc2c1 758124390 JNDMZIMAPHKEGF-MRXNPFEDSA-N 316.404 4.785 30 20 DJED CC[C@H](C(=O)OCCCCC(C)(C)C#N)c1ccc(F)cc1 768857678 ZIOSKGBEBVEXBY-INIZCTEOSA-N 305.393 4.583 30 20 DJED O=C(/C=C/c1csc(-c2cccs2)n1)c1sccc1O 771746113 VXKSAQZLCXNBDZ-ONEGZZNKSA-N 319.432 4.535 30 20 DJED C=C(C)[C@@H](NCc1cc(Cl)ccc1O)c1ccc(F)c(F)c1 775318364 GFZMRQAKMIYJIW-QGZVFWFLSA-N 323.770 4.731 30 20 DJED N#C[C@H](OC(=O)c1cccc(Cl)c1Cl)C1CCCCC1 776360514 UREYZFHWPDRVKZ-ZDUSSCGKSA-N 312.196 4.623 30 20 DJED CC(C)c1ccc(C=NOCc2ccc(C(F)(F)F)cn2)cc1 783870981 YYUMSMWPDPQLOQ-UHFFFAOYSA-N 322.330 4.775 30 20 DJED CCCCCCCC[C@@H](C)CC(=O)N1CCC[C@](C)(O)CC1 792594277 NZRNZMSNYCCHQJ-MJGOQNOKSA-N 311.510 4.527 30 20 DJED N#CC[C@H](CC(=O)Oc1cccc2ccccc12)c1ccccc1 792869265 ZQVBZQSBQNWRJI-GOSISDBHSA-N 315.372 4.833 30 20 DJED CC(C)c1csc([C@@H](C#N)C(=O)C(C2CCC2)C2CCC2)n1 797093169 DSGFUDNMZRXXDO-AWEZNQCLSA-N 316.470 4.659 30 20 DJED Cc1cc(C(=O)/C=C/c2ccc(OC(F)F)c(F)c2)oc1C 799895889 FPLVGPXEYFLZLO-HWKANZROSA-N 310.271 4.533 30 20 DJED C[C@H](Nc1nc(Cl)c(C#N)s1)c1c(F)cccc1Cl 804530717 KMRQLMKIUJVNQT-LURJTMIESA-N 316.188 4.634 30 20 DJED N#Cc1ccc(OCCSCc2ccc(Cl)s2)cc1 818334111 KCPLCFIODGJZPD-UHFFFAOYSA-N 309.843 4.585 30 20 DJED C#C[C@@H](NC(=O)Nc1c(C(C)C)cccc1C(C)C)C(C)C 821507925 JNMPDSJIHWNJKF-QGZVFWFLSA-N 300.446 4.713 30 20 DJED C#CCCCCC(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1 838059081 INUAFSOHYZEPGE-HXUWFJFHSA-N 309.453 4.714 30 20 DJED CC[C@H](N[C@@H]1CCCOc2ccccc21)c1cccc(C#N)c1 902784273 RUPRMMDWUIYJNT-RBUKOAKNSA-N 306.409 4.513 30 20 DJED Cc1ccc(C=NOCc2cc(Cl)cc3cccnc23)cc1 914785709 DUGBHRMLZHCZCP-UHFFFAOYSA-N 310.784 4.747 30 20 DJED C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C[C@H](C)CCC#N 1179951576 LDBVVQBCGIIPMA-NEPJUHHUSA-N 311.256 4.852 30 20 DJED CC(C)c1ccc(/C=C/CC(=O)Nc2cc(C#N)ccc2F)cc1 1275425621 KDAGDHVBUFJJAM-ONEGZZNKSA-N 322.383 4.863 30 20 DJED N#Cc1ccc(NC(=O)CC(C2CCC2)C2CCC2)cc1Cl 1350215290 XSHHKKKDFLGHBA-UHFFFAOYSA-N 316.832 4.757 30 20 DJED C[C@@H]1C[C@H](NC(=O)C2(C#N)CCCCC2)C[C@H](c2ccccc2)C1 1436711866 JQDZUEGLYTTYCI-UHOSZYNNSA-N 324.468 4.549 30 20 DJED Cc1ccc(C(=O)Nc2cc3ccccc3cc2C#N)cc1C 1525260313 KYSLFMUSIADVKR-UHFFFAOYSA-N 300.361 4.581 30 20 DJED Cc1nc(NC[C@@H]2CCC(C)(C)c3ccccc32)ccc1C#N 1559142052 SQJWJDDIZDCLKY-INIZCTEOSA-N 305.425 4.529 30 20 DJED N#Cc1ccc(C2=CCN(CCc3ccccc3Cl)CC2)cc1 1559715037 OWTRMTXUGNRWEG-UHFFFAOYSA-N 322.839 4.543 30 20 DJED CCCC[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)C(C)C 1565591778 BWIYXKUJWZFPSY-QGZVFWFLSA-N 304.409 4.535 30 20 DJED CCc1ccccc1CCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 1615608224 ZWENMTWVQPVXNE-VXKWHMMOSA-N 318.464 4.563 30 20 DJED C=C(Br)CN(Cc1cccc(Cl)c1)CC(C)C 1620448940 AVBWTYMAURXGJF-UHFFFAOYSA-N 316.670 4.707 30 20 DJED Cc1nsc(Oc2ccc(Cl)c3ccccc23)c1C#N 1639178268 LQNNGBOKEAJLPA-UHFFFAOYSA-N 300.770 4.922 30 20 DJED Cc1nc(N[C@@H](C)c2cccc(C3CC3)c2)c(Cl)cc1C#N 1642724978 IOYIIIMRWCBEJI-NSHDSACASA-N 311.816 4.966 30 20 DJED Cc1ccc(C#N)c(N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)n1 1642815157 SOMFBZWYCZMRDW-PBHICJAKSA-N 311.816 4.663 30 20 DJED CC(C)(C#N)c1ccccc1CN1CCC[C@@H]1c1cccc(F)c1 1644364106 MTGBQCUZUSLWCH-HXUWFJFHSA-N 322.427 4.964 30 20 DJED CCC(=O)c1cc(Cl)ccc1OCc1ccc(C#N)cc1C 1651591556 VVWJQCALMFGEON-UHFFFAOYSA-N 313.784 4.692 30 20 DJED CC(C)(C#N)c1ccccc1COc1c(F)cccc1Cl 1651885039 PCQRERFZXLLNCG-UHFFFAOYSA-N 303.764 4.859 30 20 DJED Cc1cc(OCCc2cc(Cl)cc(Cl)c2)ccc1C#N 1651955802 HJBNMWJWHGMYRF-UHFFFAOYSA-N 306.192 4.795 30 20 DJED COc1ccc(CSc2nc(C)cc(C)c2C#N)cc1Cl 1652395512 BIPABSYSTVVZLB-UHFFFAOYSA-N 318.829 4.524 30 20 DJED CC[C@@H](CO)N(CCC(C)(C)C#N)C1CCC(C(C)(C)C)CC1 1659566747 IBOOZXDKXBSNSX-ADKAHSJRSA-N 322.537 4.604 30 20 DJED CC(C)(C)c1ccccc1/C=C\C(=O)c1cccc(C(=O)O)c1 1776276412 CMCKXDJEZZPEBK-QXMHVHEDSA-N 308.377 4.578 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1c(C)cc(C)cc1C 1776783319 PKAMOMAUKDURON-GOSISDBHSA-N 319.489 4.905 30 20 DJED CCCC[C@H](CC)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 6043025 XPMQDHHMZRBEFN-OLZOCXBDSA-N 318.486 4.899 30 20 DJED CCCN(C(=O)c1ccc(C#N)cc1)c1cccc2ccccc12 63951530 HHHZIEJRTZGXAG-UHFFFAOYSA-N 314.388 4.768 30 20 DJED Cc1cc(Cl)cc2nc(SCCCSCC#N)oc12 75076694 KCAOJUJEDGOXIK-UHFFFAOYSA-N 312.847 4.529 30 20 DJED Cc1ccccc1NC(=O)Nc1ccccc1SCCC#N 113569999 OEKHWPFDSPGLAZ-UHFFFAOYSA-N 311.410 4.645 30 20 DJED CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2cc(C)ccc2C)c1 160921360 PUCCLGCWMIBMFM-HKUYNNGSSA-N 322.452 4.835 30 20 DJED N#CCCCCSCc1csc(-c2ccc(F)cc2)n1 161203031 HDTPPHVOJYBWAF-UHFFFAOYSA-N 306.431 4.876 30 20 DJED CC(C)[C@H](NCc1cccc(OCCCC#N)c1)c1ccccc1 236791682 HVQTZMFWERADKB-NRFANRHFSA-N 322.452 4.856 30 20 DJED CCOc1cccc2cc(C(=O)/C=C\c3cnn(C(C)C)c3)oc12 255359409 UCSYYSPFADGXHW-HJWRWDBZSA-N 324.380 4.505 30 20 DJED C#Cc1cccc(N(C)Cc2ncc(-c3cccc(Cl)c3)o2)c1 303133460 BRPXVJDEKISLQD-UHFFFAOYSA-N 322.795 4.613 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@@H]2/N=C(/O)[C@H](C)c1ccccn1 328745685 AGAUOEXRYJLUHX-CJNGLKHVSA-N 312.413 4.757 30 20 DJED Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1ccc(CC#N)cc1)CC3 462067420 YBTGYRDYBMDQJU-QGZVFWFLSA-N 315.420 4.512 30 20 DJED N#Cc1ccc(N[C@@H]2CCCc3cc(OC(F)F)ccc32)cc1 477597955 MMQGUWLIHRYGJU-QGZVFWFLSA-N 314.335 4.649 30 20 DJED C[C@@H](c1ccccc1F)N(C)Cc1ccc(Cl)cc1C#N 480521801 DLNHNMRXIVYPNM-LBPRGKRZSA-N 302.780 4.544 30 20 DJED Cc1ccccc1[C@H](NCc1ccc(Cl)cc1C#N)C1CC1 480878630 MTIGWLGPDANHFL-LJQANCHMSA-N 310.828 4.761 30 20 DJED N#Cc1cc(F)ccc1CN1CCC[C@@H]1c1cccc(Cl)c1 489636871 VBFAINBUKWAJSF-GOSISDBHSA-N 314.791 4.688 30 20 DJED N#CCCN(Cc1cccc(OC2CCCC2)c1)Cc1ccco1 505749955 IDWJYBCLZQUPKX-UHFFFAOYSA-N 324.424 4.517 30 20 DJED COc1ccccc1[C@H]1CC[C@@H](C)CN1CCCC(C)(C)C#N 510258551 ZQNDRJAHKIUZQO-SJLPKXTDSA-N 314.473 4.798 30 20 DJED C=CCN(CC=C)C(=O)Nc1ccc(Oc2cccc(C)c2)cc1 515231299 XJKWZMWWNIFGTI-UHFFFAOYSA-N 322.408 4.993 30 20 DJED CCCc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 516781073 JAPVDDCIJIOFTI-UHFFFAOYSA-N 324.449 4.703 30 20 DJED CC(C)Cn1ccc2cc(NC(=O)C3(C#N)CCCCC3)ccc21 522787051 DHHVEENUHMJKTH-UHFFFAOYSA-N 323.440 4.710 30 20 DJED C=CCCOCCCCc1nc([C@H]2CCCC(C)(C)C2)no1 533848111 CLBDVCGFKOOYIL-HNNXBMFYSA-N 306.450 4.669 30 20 DJED Cc1ccc2c(Cl)cc(Cl)c(OCC3(C#N)CC3)c2n1 537557521 NGLMIBIECISHKX-UHFFFAOYSA-N 307.180 4.533 30 20 DJED COc1ccccc1-c1ccc([C@@H](C)NCCC(C)(C)C#N)cc1 540712041 IUSREDKIMIVWGH-MRXNPFEDSA-N 322.452 4.953 30 20 DJED CC(C)N(CCC(C)(C)C#N)Cc1cccc(Br)c1 554053823 XHQVTIIDYWGLIJ-UHFFFAOYSA-N 323.278 4.599 30 20 DJED CCCN(C(=O)c1cccc(CC#N)c1)[C@H](CC)c1ccccc1 603737811 UEFKXBIULIMQGV-HXUWFJFHSA-N 320.436 4.756 30 20 DJED Cc1c([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)oc2ccccc12 618805663 OVCHKAZFVYZVHH-KUHUBIRLSA-N 316.404 4.951 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCC[C@@H](F)C1 646375837 YQCVHSPKDHSUDD-CVEARBPZSA-N 318.436 4.941 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccc(Cl)c2ncccc12 675150544 XFGAVNPHFHELKX-UHFFFAOYSA-N 300.789 4.595 30 20 DJED CC(=NNc1ccc(Br)cc1F)c1ccccc1C 728433015 NEVSFUYLFAJBMI-UHFFFAOYSA-N 321.193 4.733 30 20 DJED COc1ccc(OC(F)F)c(/C=C/C(=O)c2cccc(C)c2)c1 732927107 YHMKPAJSINYCJP-SOFGYWHQSA-N 318.319 4.501 30 20 DJED CC(=NNc1ccc(Br)c(C)c1)c1sccc1C 733747305 OGWZLLBUBLWEJE-UHFFFAOYSA-N 323.259 4.964 30 20 DJED CCc1ccc(C(=O)/C=C/c2ccc(OC)c(Cl)c2)s1 741471487 MYBSFYZDZJCMNM-QPJJXVBHSA-N 306.814 4.869 30 20 DJED N#Cc1csc(C(=O)Oc2ccccc2-c2ccccc2)c1 752163495 YUQMKENKMCMXQP-UHFFFAOYSA-N 305.358 4.506 30 20 DJED CC(C)CC1(C(=O)[C@H](C#N)c2ccc3ccccc3n2)CCC1 757297040 PYOJRJHDFGWDSI-MRXNPFEDSA-N 306.409 4.627 30 20 DJED CCCC1(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)CCC1 759552399 ZQTHUVDVQJHCHV-LBPRGKRZSA-N 316.401 4.582 30 20 DJED Cc1cc(/C=C/C(=O)c2ccccc2OC(F)F)cnc1Cl 760265639 VQBGNBUCTCZFBA-VOTSOKGWSA-N 323.726 4.541 30 20 DJED O=C1/C(=C/c2nc(Cl)cs2)CCc2ccc(Cl)cc21 761204382 ADQYBUWXQRDKEH-WEVVVXLNSA-N 310.205 4.662 30 20 DJED Cc1c(C(=O)/C=C\c2cccc(Cl)c2F)cnn1C(C)(C)C 787185840 JIDYOSYGMRMKNJ-HJWRWDBZSA-N 320.795 4.635 30 20 DJED CC[C@@H](C)c1ccccc1OC(=O)CCc1ccc(C#N)cc1 790068631 JXKZTSGQJOCBRO-OAHLLOKOSA-N 307.393 4.610 30 20 DJED C[C@@H](ON=Cc1ccccc1C(F)(F)F)c1ccc(C#N)cc1 794712793 CUYHJZGWKMZOEM-GFCCVEGCSA-N 318.298 4.689 30 20 DJED N#CCCCCCC(=O)Nc1ccc(Nc2ccccc2)cc1 805162921 BRKIXIIUNLDIIF-UHFFFAOYSA-N 307.397 4.843 30 20 DJED N#Cc1c(F)cccc1/C=C\C(=O)c1ccc(-c2ccccc2)o1 811690490 BMLLFGOBRKFWCH-KTKRTIGZSA-N 317.319 4.853 30 20 DJED CCCC(=NNc1ccnc2cc(Cl)ccc12)c1cccnc1 814693713 DXVHGWOXHFKVQY-UHFFFAOYSA-N 324.815 4.900 30 20 DJED CCC[C@H](C)NC(=O)c1ccc(Sc2ccccc2C#N)cc1 1125135919 DOCDSOFYIVGGHB-AWEZNQCLSA-N 324.449 4.628 30 20 DJED C=CCCCc1nnc(COc2ccccc2-c2ccccc2)o1 1329237698 CMSBRNRACSVNLU-UHFFFAOYSA-N 320.392 4.824 30 20 DJED CCCCc1ccc(NC(=O)[C@@H](CC#N)c2ccccc2)cc1 1351897643 XGCFXJJHXCRJLP-IBGZPJMESA-N 306.409 4.665 30 20 DJED CCN(Cc1cccc(Cl)c1)C(=O)CC1(C#N)CCCCC1 1358290031 MKXCFGQADHYVIK-UHFFFAOYSA-N 318.848 4.553 30 20 DJED C[C@@H](C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@H](C)CC2)C1CCC1 1436547784 UANSWDBCFLJRAS-IJLUTSLNSA-N 316.470 4.680 30 20 DJED Cc1c(Cl)cnc(N2CCCC3(CCCCC3)CC2)c1C#N 1458322183 XZUQUIOWKLSMCZ-UHFFFAOYSA-N 317.864 4.856 30 20 DJED Cc1cc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(C)s1 1459533615 WPROKAILWAZIPY-RTBURBONSA-N 310.466 4.637 30 20 DJED C[C@@H]1CSc2ccccc2N1CCC1(C#N)CCCCC1 1459703858 HBNPGWZUIJEDCB-OAHLLOKOSA-N 300.471 4.851 30 20 DJED N#C[C@@H](c1ccccc1)N1CC=C(c2cccc(Cl)c2)CC1 1460049160 WHNPWDYIYSZKFP-IBGZPJMESA-N 308.812 4.694 30 20 DJED CCC[C@H](C)C(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C 1460374708 AMHMXQKTOQTKRC-SRVKXCTJSA-N 304.459 4.680 30 20 DJED CC[C@@H](C#N)Oc1cccc(CNC[C@@H]2CCCC(C)(C)C2)c1 1474008195 WYTITYJNNOALSE-MSOLQXFVSA-N 314.473 4.674 30 20 DJED C[C@@H](OC(=O)Cc1ccc(C(C)(C)C)cc1)c1cccc(C#N)c1 1518199367 TWBJOFNSAYGFER-OAHLLOKOSA-N 321.420 4.703 30 20 DJED CC[C@@H](CC(=O)Nc1cccc(C#N)c1C)c1ccc(C)cc1 1534738450 QEVZJAWJGKFSDV-INIZCTEOSA-N 306.409 4.698 30 20 DJED C[C@H]1C[C@@H](C)C[C@H](C(=O)N(c2ccccc2C#N)C2CCC2)C1 1538981127 SYLZQCLFYJYYGV-QLPKVWCKSA-N 310.441 4.516 30 20 DJED Cc1ccc(N(CC(C)C)C(=O)c2cc(C#N)ccc2C)c(C)c1 1586703463 JOUXQVHIUAHYPD-UHFFFAOYSA-N 320.436 4.786 30 20 DJED Cc1cccc(-c2ccc(CN[C@@H]3CCC[C@H](C#N)C3)cc2)c1 1621242896 RKOXQGDMUIMVMA-GHTZIAJQSA-N 304.437 4.834 30 20 DJED Cc1cccc(-c2ccc(CN[C@@H]3CCC[C@@H](C#N)C3)cc2)c1 1621242899 RKOXQGDMUIMVMA-WIYYLYMNSA-N 304.437 4.834 30 20 DJED CC(C)(C)CN(Cc1ccccc1)c1nc(C#N)c(Cl)s1 1639447671 WTHDADFEJBECKZ-UHFFFAOYSA-N 319.861 4.721 30 20 DJED Cc1cccc([C@H]2CCN(c3nc(C(C)(C)C)ccc3C#N)C2)c1 1651736750 OYNVNWROGXYICI-SFHVURJKSA-N 319.452 4.553 30 20 DJED CC(C)CN(CCC#N)CCCc1c(Cl)cccc1Cl 1652054042 PGMHBCXADFVCLA-UHFFFAOYSA-N 313.272 4.798 30 20 DJED C[C@@H](CCc1ccc(Cl)s1)NCc1ccc(C#N)c(F)c1 1660032360 OCNKNJLCCDAMTM-NSHDSACASA-N 322.836 4.523 30 20 DJED CC(C)(C)[C@H]1CCC[C@H](NCc2ccc(OCC#N)cc2)CC1 1661368098 ZKWVEWJEAJRSIV-ROUUACIJSA-N 314.473 4.674 30 20 DJED CCCCc1ccc(N(C)C(=O)Nc2ccc(CC#N)cc2)cc1 1667039864 KZFUIQOZDLNKGE-UHFFFAOYSA-N 321.424 4.764 30 20 DJED C=CCNC(=O)c1cccc(CSc2ccc(C)cc2C)c1 8316703 DUZBOJZJSUAHIR-UHFFFAOYSA-N 311.450 4.512 30 20 DJED Cc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c1 41535111 YXGMZFDEOUEQTL-MRXNPFEDSA-N 318.401 4.609 30 20 DJED Cc1c(C(=O)Nc2sccc2C#N)sc2ccc(F)cc12 64680550 SFVWMBVTEJICBC-UHFFFAOYSA-N 316.382 4.534 30 20 DJED C=CCC[C@H](N[C@@H](C)c1nc(-c2ccncc2)cs1)C1CC1 90045745 FWSLNNVJNWLEHP-BBRMVZONSA-N 313.470 4.601 30 20 DJED CC(C)(C)CN(CCC#N)Cc1cccc(-c2ccncc2)c1 93101203 UXNZWSKTBHUADO-UHFFFAOYSA-N 307.441 4.510 30 20 DJED N#Cc1ccc(Cl)cc1N[C@H]1CCOC2(CCCCC2)C1 94373977 UKIMPGKCZOXACL-HNNXBMFYSA-N 304.821 4.505 30 20 DJED C=CC1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 110359639 VYZSZLRHTXMSTM-KBPBESRZSA-N 324.251 4.522 30 20 DJED Cc1cccc(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c1C 113539835 VCMGVORVBCSYRY-UHFFFAOYSA-N 307.397 4.749 30 20 DJED O=C(/C=C\c1csc(-c2ccc(F)cc2)n1)c1ccccc1 212104584 RYEUFEBNGIDIRN-KHPPLWFESA-N 309.365 4.845 30 20 DJED COc1ccc(C(=O)/C=C\c2ccc(C(C)C)cc2)cc1OC 212582639 ZPHHSWGYZJFOBU-XFFZJAGNSA-N 310.393 4.723 30 20 DJED N#CCCCOc1cccc(/C=C\c2nc3ccccc3o2)c1 255891039 YRFCAFODZZDNCA-KHPPLWFESA-N 304.349 4.681 30 20 DJED CCC(CC)N(CC)C(=O)Nc1ccc(C(C)(C)C#N)cc1 289875519 XBQSYHTWMRYMBC-UHFFFAOYSA-N 301.434 4.530 30 20 DJED Cc1ccc(C#N)c(Oc2ccc(OCc3ccccc3)cc2)n1 301216280 DNWORYABMUFORC-UHFFFAOYSA-N 316.360 4.633 30 20 DJED C[C@H](/N=C(/O)C1CCCC1)/C(O)=N/[C@@H]1CCCc2sccc21 328790523 LLBAJZBZMMONOE-SMDDNHRTSA-N 320.458 4.617 30 20 DJED CC[C@@H]1C[C@@H](C(O)=Nc2onc(C3CCCCC3)c2C)CCO1 330126408 ISAYQYMGOJODAZ-LSDHHAIUSA-N 320.433 4.824 30 20 DJED N#CCCCOc1cccc(NCc2cc3cc(F)ccc3o2)c1 355289616 LPVPUAQKXUKDRY-UHFFFAOYSA-N 324.355 4.867 30 20 DJED CC(C)(C#N)CCOc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 410309138 SAODTBIEVFTLKH-UHFFFAOYSA-N 310.353 4.580 30 20 DJED N#CCC1(CN[C@@H]2CCCc3c(Cl)sc(Cl)c32)CC1 430761151 KZRDYFIDKIVSSY-SNVBAGLBSA-N 315.269 4.716 30 20 DJED Cc1ccccc1Oc1ccccc1CN[C@@H]1CC[C@H](C#N)C1 442780343 MXBAHFDNTYFFBE-FUHWJXTLSA-N 306.409 4.569 30 20 DJED CC1(C#N)CCC(NCC(C)(C)c2ccc(Cl)cc2)CC1 449084876 JDJIUCVUVHELGQ-UHFFFAOYSA-N 304.865 4.680 30 20 DJED CC(C)CC[C@H](NCc1ccc(C#N)c(F)c1)c1ccoc1 453394592 WCDBHPMUKWYYMU-SFHVURJKSA-N 300.377 4.557 30 20 DJED C=C[C@H]1CCCCN1C(=O)Nc1ccc(-c2ccncc2)c(C)c1 455504682 JPBKLIKIANSFNE-SFHVURJKSA-N 321.424 4.629 30 20 DJED CC(C)[C@H](NC(=O)[C@@H](C)C#N)c1ccc(C2CCCCC2)cc1 462029146 HGLYOCCMKUQWOX-KXBFYZLASA-N 312.457 4.707 30 20 DJED C=C[C@](C)(CC)C(=O)Nc1ccccc1COC(C)(C)CC 467913212 BJOAPOADWBKHME-LJQANCHMSA-N 303.446 4.933 30 20 DJED N#CCc1ccc(NC(=O)CCCCCc2ccc(F)cc2)cc1 487737620 IVBJXGQUHQYNLV-UHFFFAOYSA-N 324.399 4.633 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)c1cc2cc(C)ccc2o1 515987726 PJVZAKORFVXZHB-UHFFFAOYSA-N 323.367 4.709 30 20 DJED CCCC[C@@H]1CCC[C@H]1NCc1cccc(OCCCC#N)c1 520963383 FWMLEHFRJZWRMC-UYAOXDASSA-N 314.473 4.818 30 20 DJED C=CC1CCN(C(=O)Nc2ccc(CCC(C)C)cc2)CC1 522088813 JZYIUCVABTUOIA-UHFFFAOYSA-N 300.446 4.705 30 20 DJED C=CCCCNc1ccc(C(=O)N2CCCC[C@H]2C)c(Cl)c1 524844387 JEINKLYKCBFVHD-CQSZACIVSA-N 320.864 4.733 30 20 DJED Cc1ccccc1C[C@H](C)Nc1cccc(OCCCC#N)c1 539626907 GTFVCHRIXLUGIZ-KRWDZBQOSA-N 308.425 4.721 30 20 DJED C=CCC(C)(C)C(=O)Nc1cccc(-c2nc(C)cs2)c1 555735265 RMPBFQLQNKUWKA-UHFFFAOYSA-N 300.427 4.659 30 20 DJED Cc1ccccc1Nc1nc(COc2ccccc2C#N)cs1 560027053 HTIWDXDLAKBPMN-UHFFFAOYSA-N 321.405 4.646 30 20 DJED N#Cc1cccc(C2(NCc3ccc(Cl)c(Cl)c3)CC2)c1 560069623 BWNDHWIWHBUUDW-UHFFFAOYSA-N 317.219 4.644 30 20 DJED N#CCCC1CCN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 566680156 PHVBDXIIAWCGIH-WOJBJXKFSA-N 324.468 4.503 30 20 DJED CC(C)Oc1ccc(CC#N)cc1-c1cncc(C(F)F)c1 596644445 HEGORMXWTJOFCC-UHFFFAOYSA-N 302.324 4.539 30 20 DJED C=CCCCCCN(C)C(=O)N[C@@H](c1ccccc1)C1CCC1 606924561 MVUJHMMDVUIIHD-IBGZPJMESA-N 314.473 4.916 30 20 DJED C[C@@]1(C#N)CCCN(c2nc(-c3ccccc3Cl)cs2)C1 612108295 MMJWWRYQVLZOTN-INIZCTEOSA-N 317.845 4.594 30 20 DJED Cc1cc2cc(CN[C@H]3CCc4cc(C#N)ccc43)oc2cc1C 618742440 YRGZFOSRSQQQIG-FQEVSTJZSA-N 316.404 4.698 30 20 DJED C=CCN(C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)C(C)(C)C 622945527 GXMXFLWOAIPKED-GFCCVEGCSA-N 313.363 4.779 30 20 DJED Cc1ccc2c(c1)C/C(=C\c1cccc(OCCCC#N)c1)C2=O 726741073 SOCPWICBMZSCQV-LDADJPATSA-N 317.388 4.500 30 20 DJED C=CCNC(=O)Nc1ccc(-c2cccc(Cl)c2)cc1C 726849455 QKJBZISBRZOLDD-UHFFFAOYSA-N 300.789 4.623 30 20 DJED FC(F)(F)COc1ccc(NN=C/C=C/c2ccccc2)cc1 727262460 RDFJPWGWKCUYNI-KGSLMKHMSA-N 320.314 4.739 30 20 DJED O=C(/C=C\c1cccc(OC(F)(F)F)c1)c1cccc(F)c1 727973279 XKKYJFCXAOCRQF-FPLPWBNLSA-N 310.246 4.620 30 20 DJED CC1(c2ccccc2)CC(=NNc2ccc(C(F)(F)F)cn2)C1 729632929 KGZHOCMRDABLGU-UHFFFAOYSA-N 319.330 4.620 30 20 DJED O=C1/C(=C\c2ccc3ncccc3c2)CCc2cc(F)ccc21 747440502 PPMPTYYGJNWIMI-WJDWOHSUSA-N 303.336 4.586 30 20 DJED COc1ccc(C#N)cc1CN[C@H](C)c1csc2ccccc12 754737168 NDKWACADPLDSAJ-CYBMUJFWSA-N 322.433 4.632 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2c(Cl)oc3ccccc23)s1 762443146 OXWYCLGOYKXWHO-VOTSOKGWSA-N 313.765 4.915 30 20 DJED C=C(Cl)CN[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C 773005171 PRFZBSYSXYXQLP-LLVKDONJSA-N 322.861 4.530 30 20 DJED C=C[C@](C)(CC)C(=O)OCc1coc(-c2cccc(Cl)c2)n1 785756633 BZEGBEIPJOBQCJ-QGZVFWFLSA-N 319.788 4.641 30 20 DJED CC(=NNc1cccc(C(F)(F)F)c1)c1cnn(C(C)C)c1C 787147286 FBUNCAPFMZYYFG-UHFFFAOYSA-N 324.350 4.627 30 20 DJED CC(CCc1ccccc1)=NNc1ncnc(Cl)c1C(C)C 797403902 BKWCAIXCLYNYPU-UHFFFAOYSA-N 316.836 4.674 30 20 DJED CC[C@H](OC(=O)CCCCCC#N)c1c(F)cccc1Cl 805896154 KZXKSYMVLXERKD-AWEZNQCLSA-N 311.784 4.947 30 20 DJED CCc1ccc(N(CC(C)C)C(=O)CCCCCC#N)cc1 807628422 IEHIVAHTJDOTCP-UHFFFAOYSA-N 300.446 4.712 30 20 DJED CCc1nc2ccccc2n1N=Cc1csc2ccccc12 812457170 GCKCBSZUVCEANG-UHFFFAOYSA-N 305.406 4.696 30 20 DJED C[C@@H](C#N)Oc1ccc(CN[C@H](C)c2cccc(C3CC3)c2)cc1 824462629 HMOASDJZSPXCIN-JKSUJKDBSA-N 320.436 4.706 30 20 DJED CC[C@@H]1c2ccccc2CN1c1nc(C(C)(C)C)ccc1C#N 1164310785 VQWFBZNBOCPOEJ-QGZVFWFLSA-N 305.425 4.722 30 20 DJED Cc1ccc(SC2(CNc3ccc(C#N)cn3)CCCC2)cc1 1185612238 YIUFOLSLLPKURG-UHFFFAOYSA-N 323.465 4.779 30 20 DJED Cc1ccc(C[C@H]2CCCN2CCC2(C#N)CCCCC2)cc1 1190984690 LAEXYGVCCRTDIS-HXUWFJFHSA-N 310.485 4.866 30 20 DJED N#Cc1ccc(C2CCN(Cc3ccc(Cl)s3)CC2)cc1 1204444432 MJEKRKCAVNWVGM-UHFFFAOYSA-N 316.857 4.653 30 20 DJED CCC[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)C1CCCC1 1275597294 PGQKIXFGXCEABS-RBUKOAKNSA-N 312.457 4.549 30 20 DJED CCN(CC1(CC#N)CC1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 1307948316 SNDOXNKSBZGWSS-AWEZNQCLSA-N 324.390 4.652 30 20 DJED C=CCC(CC=C)c1nnc(CSc2ccccc2OC)o1 1322449273 WGYKCGOMYZIHBO-UHFFFAOYSA-N 316.426 4.606 30 20 DJED C/C(=C/c1nnc(-c2ccc(C#N)cc2)o1)c1cccc(Cl)c1 1322503835 ONMKTCXBSGFUFO-XFXZXTDPSA-N 321.767 4.822 30 20 DJED CC[C@H](C#N)[C@H](OC(=O)CCCC(F)(F)F)c1cccs1 1343907134 UYBJIWUADWULFG-MFKMUULPSA-N 319.348 4.615 30 20 DJED C[C@H](NCCCCC1(C#N)CCC1)c1ncc(-c2ccccc2)o1 1351293012 BOZRNVDYPACOST-INIZCTEOSA-N 323.440 4.856 30 20 DJED CC[C@H](C(=O)N(CC(C)C)c1ccc(C#N)cc1)c1ccccc1 1355420363 SLFHZBJLJNDTTD-FQEVSTJZSA-N 320.436 4.741 30 20 DJED C[C@@H]1c2c(sc(NC(=O)[C@H](C)C3CCC3)c2C#N)CC[C@H]1C 1436547783 UANSWDBCFLJRAS-GRYCIOLGSA-N 316.470 4.680 30 20 DJED Cc1ccc(C#N)c(N2CCC[C@@H](CCCc3ccccc3)C2)n1 1458259680 BXXWQLGRHCRMJI-LJQANCHMSA-N 319.452 4.501 30 20 DJED Cc1cc(C#N)ccc1CN1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C 1460165752 ZRFHDHCBKZKCNI-CBGDNZLLSA-N 304.437 4.633 30 20 DJED CC[C@@H](CN(CC)C(=O)c1cc(C#N)ccc1C)c1ccccc1 1523396133 LADFVYFLSPKNGC-SFHVURJKSA-N 320.436 4.523 30 20 DJED C[C@H]1CCC[C@@H]([C@H](C)NCc2cc(Cl)ccc2OCC#N)C1 1559911079 DVOJKKXFWDBYRP-SOUVJXGZSA-N 320.864 4.547 30 20 DJED CCC1(CC)CCC(NC(=O)Nc2cc(C#N)ccc2C)CC1 1562450568 UMLQVAYATJODSS-UHFFFAOYSA-N 313.445 4.737 30 20 DJED Cc1cc(C#N)ccc1CSc1ncc(C(C)C)n1C1CC1 1613562423 NXQRNFACHATQPE-UHFFFAOYSA-N 311.454 4.814 30 20 DJED CC[C@@H]1CN(Cc2ccc(F)c(C#N)c2)CC[C@@H]1c1ccccc1 1615812016 NIJAUQBPPXVRDR-XLIONFOSSA-N 322.427 4.713 30 20 DJED CCCCc1ccc(C(=O)N(CCC#N)CC(CC)CC)cc1 1616413253 ANGBQSRNTGCITH-UHFFFAOYSA-N 314.473 4.821 30 20 DJED CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCCc3ccc(F)cc32)n1 1642660707 AZBMMBBTKKCFBG-QGZVFWFLSA-N 323.415 4.879 30 20 DJED C[C@@H](Cc1ccc(F)cc1Cl)N[C@H](C)c1cccc(C#N)c1 1653099990 FBOSNKFLWPUFJT-QWHCGFSZSA-N 316.807 4.633 30 20 DJED CCc1ccc([C@H]2CCCN(Cc3cccc(F)c3C#N)C2)cc1 1659727740 NCYDMDBGAXEFHK-SFHVURJKSA-N 322.427 4.639 30 20 DJED C=CCOc1ccc(CN[C@@H](C)c2ccc(Cl)s2)cc1 35253498 PVFYKENIAVBUBJ-LBPRGKRZSA-N 307.846 4.817 30 20 DJED N#Cc1ccc(CSCc2coc(-c3cccs3)n2)cc1 73448872 FFHSQAUIGAJAHU-UHFFFAOYSA-N 312.419 4.708 30 20 DJED C[C@@H](CC#N)N(C)C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 80027855 QFUNPKDQFCROKX-AWEZNQCLSA-N 324.424 4.618 30 20 DJED C[C@H](C#N)CSc1ccccc1NC(=O)C1CCCCCC1 108241237 IBMBKZIRNAPXPT-CQSZACIVSA-N 316.470 4.847 30 20 DJED C=C[C@H](CC(=O)Nc1ccccc1OC(F)F)c1ccccc1 128518767 OFEXMFBVBQXQNS-CYBMUJFWSA-N 317.335 4.586 30 20 DJED N#CCC[C@H](NCc1ccc(Cl)c(F)c1)c1ccccc1 130546687 GAQKEQXABZRKOL-KRWDZBQOSA-N 302.780 4.614 30 20 DJED N#CCCCOc1cccc(CNc2ccccc2Cl)c1 157492671 NUMURFDVPGJGMI-UHFFFAOYSA-N 300.789 4.635 30 20 DJED C=CCOc1ccccc1CN[C@@H](C)c1cc(F)c(F)c(F)c1 161511577 WTFSBALIFHNLGM-LBPRGKRZSA-N 321.342 4.520 30 20 DJED CC#CCCCC(=O)Nc1ccccc1NCc1ccccc1C 185039694 XKAJIRSDJNAQAG-UHFFFAOYSA-N 320.436 4.739 30 20 DJED C[C@@H](CCC#N)Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1 188263442 HQRCSWMCVGJAEA-LBPRGKRZSA-N 315.442 4.818 30 20 DJED CCC[C@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 192999047 OCMVBZYTMXOVGD-UZLBHIALSA-N 308.425 4.781 30 20 DJED C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 193045825 YWXBKHBSDQZTEI-RHSMWYFYSA-N 313.445 4.530 30 20 DJED N#Cc1ccc(SCc2ccccc2)cc1Br 225635938 IIIHRTFNYATTGU-UHFFFAOYSA-N 304.212 4.613 30 20 DJED COc1cccc(C=Nc2ccc(CCC(F)(F)F)cc2)c1O 255110829 KXHPBKIPGUGBCC-UHFFFAOYSA-N 323.314 4.646 30 20 DJED CC(C)(CCC#N)CNc1cccc(-c2ncc3n2CCCC3)c1 277777649 UQDZTGHFVBOREC-UHFFFAOYSA-N 322.456 4.628 30 20 DJED Cc1noc(C2CC2)c1N/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 329797603 FTALOEBMSWENBQ-NWANDNLSSA-N 317.433 4.545 30 20 DJED Cc1cc(Cl)ccc1N/C(O)=N/[C@@H]1CCO[C@@H](CC(C)C)C1 330689164 DQACBILTQLRUSC-CABCVRRESA-N 324.852 4.568 30 20 DJED N#CCC[C@@H](NC(=O)c1ccc(C2CCC2)cc1)c1ccccc1 358178440 GQGYQELGOZITQT-HXUWFJFHSA-N 318.420 4.729 30 20 DJED CC[C@@H](N[C@H]1CCCc2ccc(F)cc21)c1ccc(C#N)cc1 359026070 DSPMLDZLFVJQRA-UXHICEINSA-N 308.400 4.816 30 20 DJED C=CCC[C@H](NC(=O)N(C)Cc1ccccc1C)c1ccccc1 435109176 RFCZGMADMYCGCZ-FQEVSTJZSA-N 322.452 4.844 30 20 DJED C[C@H](c1cccc(C#N)c1)N1CC[C@@H](CSc2ccccc2)C1 442669385 AYRMPEHNJQYXEC-SJLPKXTDSA-N 322.477 4.733 30 20 DJED C=CC[C@@H]1N(C(=O)Nc2c(C)cccc2OC)CCCC1(C)C 446291263 IZOIPMRVTJTGMU-INIZCTEOSA-N 316.445 4.602 30 20 DJED C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)c1ccc(C#N)cn1 462922180 BMOOQEFWEZRXRX-INIZCTEOSA-N 313.404 4.818 30 20 DJED Cc1ccc([C@@H](C)c2noc([C@H](C)c3cccc(C#N)c3)n2)cc1 463044705 UAZAXLKCWXVSGL-HUUCEWRRSA-N 317.392 4.553 30 20 DJED C=CCOc1cccc(NC(=O)[C@@H](c2ccccc2)C(C)C)c1 463155622 ORLINYWNIVQXHW-LJQANCHMSA-N 309.409 4.630 30 20 DJED CCc1cc(C)cc(CC)c1NC(=O)CCc1ccc(C#N)cc1 484850979 QSHDTMLFDHNCCI-UHFFFAOYSA-N 320.436 4.563 30 20 DJED CC(C)(CCC#N)CN1CC=C(c2ccc(Cl)cc2)CC1 506370413 QCKGDNJFDGYFJS-UHFFFAOYSA-N 302.849 4.759 30 20 DJED CCCCn1c(SCc2cccc(C#N)c2F)nc(C)c1C 513228967 OWDFLNAPTSIACT-UHFFFAOYSA-N 317.433 4.603 30 20 DJED CC1(C)CCC[C@@H](C(=O)Nc2cccc(OCCCC#N)c2)C1 534388704 HBOXPLHGUFQAFV-OAHLLOKOSA-N 314.429 4.524 30 20 DJED CCN(CC1(C#N)CC1)[C@H](c1ccccc1)c1ccc(F)cc1 538352083 QTDDNRQIWRLMGX-LJQANCHMSA-N 308.400 4.541 30 20 DJED C=CCC[C@H](NCc1cccc(NC(=O)[C@H](C)CC)c1)C1CC1 539092593 CEEJJOBKQQVXNB-BEFAXECRSA-N 314.473 4.506 30 20 DJED CC[C@H](C)n1ncc(N[C@@H]2CCc3ccc(C#N)cc32)c1C1CC1 558506100 UFQWPWUYQVIJBT-SCLBCKFNSA-N 320.440 4.703 30 20 DJED C=CCOc1ccc(-c2nnc(S[C@H]3CC[C@@H](C)C3)o2)cc1 558847756 ZIJYLRNOFABSDB-DOMZBBRYSA-N 316.426 4.582 30 20 DJED C=C[C@](C)(CC)c1nc(Cc2cccc(C(F)(F)F)c2)no1 567081915 LFRPBSZMDNLZKU-OAHLLOKOSA-N 310.319 4.533 30 20 DJED C=CCCCCCN(C)C(=O)N[C@H](C)c1cc2ccccc2o1 606925650 NNNSRXPPHBCXOJ-OAHLLOKOSA-N 314.429 4.882 30 20 DJED CC(C)CCc1noc(CS[C@H](C)c2ccc(C#N)cc2)n1 609825795 UGQBOHNXCBTPSM-CYBMUJFWSA-N 315.442 4.524 30 20 DJED Fc1cc(F)c(NN=Cc2c(Cl)cccc2Cl)cc1F 734301644 JNZISLSHKAXONA-UHFFFAOYSA-N 319.113 4.857 30 20 DJED O=C(/C=C\c1ccccc1Cl)c1c(Cl)nc2ccccn12 737450586 SRITYWHBEMDYSY-HJWRWDBZSA-N 317.175 4.537 30 20 DJED O=C(/C=C\c1ccc(F)cc1)c1cccc(-c2ccncc2)c1 741472226 GFHKPSDKPLJASJ-TWGQIWQCSA-N 303.336 4.784 30 20 DJED O=C1/C(=C/c2cc3cc(F)ccc3o2)CSc2ccccc21 741853358 XMERTCAEAUIQPY-FMIVXFBMSA-N 310.349 4.944 30 20 DJED O=C1/C(=C/c2ccc(O)c(Cl)c2)Cc2cc(Cl)ccc21 742437403 MWTTVZWAFFPESH-VZUCSPMQSA-N 305.160 4.521 30 20 DJED C=C(Cl)CSCc1coc(-c2c(F)cccc2F)n1 752810134 AQBLMGXCGAJXOP-UHFFFAOYSA-N 301.745 4.606 30 20 DJED N#Cc1ccc(CNCc2cc(C(F)(F)F)ccc2Cl)cc1 753848163 AHAQOUMPNSJRDM-UHFFFAOYSA-N 324.733 4.520 30 20 DJED Clc1ccc(NN=Cc2sc(Cl)nc2Cl)cc1 755462268 QYZKVLTXVUWZOP-UHFFFAOYSA-N 306.605 4.549 30 20 DJED C[C@H](N[C@H](C)c1ccc2ccccc2c1O)c1cccc(C#N)c1 756629219 ZWDPJUNYRKDTPE-LSDHHAIUSA-N 316.404 4.829 30 20 DJED O=C(/C=C\c1nc2ccc(F)cc2s1)c1cc(F)ccc1F 761478247 OEEAGZVSEQRRFL-WAYWQWQTSA-N 319.307 4.610 30 20 DJED Cc1cc2cc(C(=O)/C=C/c3cccc4nccn34)oc2cc1C 769610081 NUULCNCEMZBDMX-VOTSOKGWSA-N 316.360 4.593 30 20 DJED C[C@H](Nc1ccccc1O[C@H](C)C#N)c1ccc(Cl)cc1 779712237 DUEDHKHPMMWSEL-OLZOCXBDSA-N 300.789 4.804 30 20 DJED C[C@H](Sc1nnc(-c2ccccc2)s1)c1cccc(C#N)c1 785453995 LYUZVNQQXDJXOO-LBPRGKRZSA-N 323.446 4.930 30 20 DJED CCC[C@H](C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)C(C)C 797569945 BKDYOLQHYMXAQF-STQMWFEESA-N 306.475 4.689 30 20 DJED CC[C@@H](Nc1nc(Cl)c(C#N)s1)c1ccc(Cl)s1 804534966 ICBKHBXPGNYVFP-ZCFIWIBFSA-N 318.254 4.946 30 20 DJED N#C[C@H](C(=O)CC1CCCCCC1)c1nc(C2CC2)cs1 842941983 VHFRGMRDLCISIV-CQSZACIVSA-N 302.443 4.557 30 20 DJED O=C(/C=C/c1ccc(F)cc1F)c1cccc(C(F)(F)F)c1 916137488 YYSALKYSYCQZQL-FNORWQNLSA-N 312.237 4.880 30 20 DJED N#C[C@H](C(=O)CC1CCCC1)c1nc2cc(Cl)ccc2s1 917046168 GPYCHMJSKIVFMK-GFCCVEGCSA-N 318.829 4.706 30 20 DJED Cc1ccc(Oc2ccc(Nc3cc(C#N)nc(C)n3)cc2)cc1 1185072860 BURZOYPZVNWRRA-UHFFFAOYSA-N 316.364 4.501 30 20 DJED C[C@@H]1C[C@H](NCc2cc(C#N)ccc2F)C[C@H](c2ccccc2)C1 1203683442 VYLFJKDCZJLEPA-CVAIRZPRSA-N 322.427 4.759 30 20 DJED Cc1ccc([C@@H]2CCC[C@H]2OC(=O)c2ccc(CC#N)cc2)cc1 1269820510 SHSVENRRGDRZDJ-VQTJNVASSA-N 319.404 4.554 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)CCCC1CCCCC1 1276284078 PSVQQWRJESDVDX-FQEVSTJZSA-N 324.468 4.802 30 20 DJED CCc1ccc([C@H]2C[C@@H](C)CCN2Cc2ccc(C#N)c(C)c2)o1 1308578544 PJYKDPWLNYKISZ-MGPUTAFESA-N 322.452 4.995 30 20 DJED C=CCC(CC=C)c1nnc(CSc2ccc(C)cc2)o1 1324109428 NNDCEAKZXAZRNC-UHFFFAOYSA-N 300.427 4.906 30 20 DJED N#CCc1ccc(CN[C@@H]2CCCC[C@H]2Cc2ccccc2)cc1 1459991356 YHYWWXCBFJPJNA-FCHUYYIVSA-N 318.464 4.644 30 20 DJED CC[C@@H](NCc1ccc(C#N)cc1C)C(C)(C)c1ccccc1 1473314317 KMLUBKQXQSIPRG-HXUWFJFHSA-N 306.453 4.713 30 20 DJED C=C(CNC(=O)[C@H](CCc1ccccc1)C(C)C)c1ccccc1 1535096223 ZYGJJVYYVBJPLU-OAQYLSRUSA-N 321.464 4.721 30 20 DJED N#Cc1cccc(N(C(=O)C2[C@H]3CCCCCC[C@H]23)C2CCC2)c1 1538998437 SQYUPJACESEUKZ-OALUTQOASA-N 322.452 4.660 30 20 DJED CCc1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1Cl 1539524238 VEKXGISVGYNPCM-UHFFFAOYSA-N 319.191 4.680 30 20 DJED Cc1ccc(OCc2cc(Cl)ccc2OCC#N)cc1Cl 1559426313 NSGZZMPRSTUOEY-UHFFFAOYSA-N 322.191 4.783 30 20 DJED CC1(C)CCCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 1559753759 SOVUYAHJZXNGQD-UHFFFAOYSA-N 304.437 4.847 30 20 DJED Cc1cc(NC(=O)c2cccc(C#N)c2)ccc1-c1ccccc1 1584329554 IUBHIQUMQIHWQE-UHFFFAOYSA-N 312.372 4.786 30 20 DJED N#CCOc1ccc(Cl)cc1CN1CCC=Cc2ccccc21 1642726581 RWALHDTXKSPZRN-UHFFFAOYSA-N 324.811 4.666 30 20 DJED Cc1nc(N[C@@H]2CCc3ccc(Cl)cc32)c(Cl)cc1C#N 1643006121 YMJPXNHNXBHMNX-OAHLLOKOSA-N 318.207 4.668 30 20 DJED CC(C)c1ccccc1-n1ccnc1S[C@@H]1CC[C@@H](C#N)C1 1643515897 XZJRUIDIMPOUHE-HUUCEWRRSA-N 311.454 4.780 30 20 DJED N#CC1(CCNC2(c3ccc(F)cc3)CCC2)CCCCC1 1659551909 IATVSWABYKOWLF-UHFFFAOYSA-N 300.421 4.659 30 20 DJED CCCC[C@@H](CC)CC(CC)=NNc1ccc(C(=O)O)nc1 1776072702 KBNHJNBSYLQRBQ-CYBMUJFWSA-N 305.422 4.564 30 20 DJED Cc1ccccc1/C=C/C(=O)c1cnn(-c2ccc(F)cc2)c1C 65999749 LXLGGAGXBIGFSY-KPKJPENVSA-N 320.367 4.524 30 20 DJED Cc1c(C#N)cccc1NC(=O)N(C)[C@H](c1ccccc1)C(C)C 178544443 AXKKELIAGLAVQH-IBGZPJMESA-N 321.424 4.728 30 20 DJED CCN(CC)Cc1cccc(N[C@@H](C)c2cccc(C#N)c2)c1 193008064 BLOSWPKYFWUQSW-INIZCTEOSA-N 307.441 4.573 30 20 DJED O=C(/C=C\c1nc(-c2ccccc2)cs1)c1ccc(F)cc1 206843880 FAHDIPIFVWTPHZ-KHPPLWFESA-N 309.365 4.845 30 20 DJED C=CC[C@H](CC)N[C@H](C)c1sc(-c2cccnc2)nc1C 281451574 DIMOOKJLQTVPSA-DOMZBBRYSA-N 301.459 4.519 30 20 DJED CC(C)c1ccc(N/C(O)=N/C[C@@]2(C)CCOC2)c(C(C)C)c1 330754888 JTXKFWHJQCVRRW-LJQANCHMSA-N 318.461 4.686 30 20 DJED CCO[C@H](C)c1ncc(/C(O)=N/[C@@H]2CCC[C@@H](C(C)C)C2)s1 330912613 GTGVBYQXVVMRNP-MGPQQGTHSA-N 324.490 4.760 30 20 DJED C=CCC[C@@H](NC(=O)NC1CCC(F)(F)CC1)c1ccccc1 341675108 NMRPKTKTWHCCLW-MRXNPFEDSA-N 322.399 4.571 30 20 DJED N#C[C@@H]1CC[C@@H](Sc2nc(-c3ccco3)nc3ccccc23)C1 430118617 DMURSAKWWUKQPB-CHWSQXEVSA-N 321.405 4.674 30 20 DJED CC(C)c1cccc(N(C)C(=O)[C@H](C#N)CCc2ccccc2)c1 433321041 WLOBPCYMJPITMC-IBGZPJMESA-N 320.436 4.545 30 20 DJED C[C@@H](CCC(C)(C)C)NC(=O)N[C@@H](CCC#N)c1ccccc1 438861266 SSGQVWXSSRXCKY-RDJZCZTQSA-N 315.461 4.545 30 20 DJED N#C[C@H]1CC[C@H](NCc2ccccc2Sc2ccccc2)C1 442784433 PMLRIIOVKHEBFU-RDJZCZTQSA-N 308.450 4.620 30 20 DJED Cc1ccccc1[C@@H](CC(F)(F)F)NCc1ccc(C#N)cc1 444011084 OXQYMDYDVGDBBQ-QGZVFWFLSA-N 318.342 4.650 30 20 DJED CC(C)(CCC#N)CNCC1(c2ccc(F)cc2)CCCCC1 462360880 RBRODDGDVXIFMM-UHFFFAOYSA-N 316.464 4.947 30 20 DJED CC(C)(C)[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1F 463239238 VBMADKFRNDCPHQ-DXCKQFNASA-N 306.400 4.724 30 20 DJED C=C(C)C[C@@H](C)C(=O)NC1c2ccccc2Oc2ccccc21 466872046 BNERLKBQXUOMBR-CQSZACIVSA-N 307.393 4.600 30 20 DJED C[C@@H](N(CCCSCC#N)Cc1ccccc1)C(C)(C)C 469446653 QYLJYBHAUWFPCY-MRXNPFEDSA-N 304.503 4.570 30 20 DJED C=CCCCCNC(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C 472864257 QSUGDADCFXKQDC-AWEZNQCLSA-N 323.506 4.634 30 20 DJED Cc1cc(CNc2ncc(C#N)cc2Cl)c2[nH]c(C)c(C)c2c1 480429334 DWINTBFFSRZIGX-UHFFFAOYSA-N 324.815 4.625 30 20 DJED C=C(C)[C@H](N[C@@H]1CCc2cc(F)ccc21)c1ccc(F)c(F)c1 480701899 UTXSPAMEGGHCPV-MOPGFXCFSA-N 317.354 4.998 30 20 DJED Cc1nc(N2CCC[C@@H]2c2cccc3ccccc23)ccc1C#N 488094456 YPCURFVCRACMNV-HXUWFJFHSA-N 313.404 4.756 30 20 DJED C[C@@H](SCc1ccc(F)cc1C#N)c1ccc(F)c(F)c1 488551061 GJRNMPSKVQUZFI-SNVBAGLBSA-N 307.340 4.970 30 20 DJED CC[C@H](CC1CCCCC1)C(=O)N(C)Cc1cccc(C#N)c1 510084133 WPKHCNHWTXODCW-LJQANCHMSA-N 312.457 4.513 30 20 DJED N#CC1(CSCCCOc2cccc(C(F)(F)F)c2)CC1 537319214 SOZARFUAOPFAAI-UHFFFAOYSA-N 315.360 4.511 30 20 DJED Cc1ccc(CN[C@H](C)c2cccc(C#N)c2)c(OC(C)C)c1 539495446 RFXXRHJSPJENCC-MRXNPFEDSA-N 308.425 4.505 30 20 DJED N#CCc1ccc(COc2cccc(Oc3cccnc3)c2)cc1 541291678 YYGJCTUGTWWGGW-UHFFFAOYSA-N 316.360 4.519 30 20 DJED N#Cc1cc(C(=O)N2CCCCCc3ccccc32)ccc1Cl 544400031 FYHIYSISSVHCPT-UHFFFAOYSA-N 324.811 4.585 30 20 DJED C=CCC(CC=C)C(=O)NCCCCc1ccc(Cl)s1 560130423 ARGZCANUGCWCAT-UHFFFAOYSA-N 311.878 4.609 30 20 DJED C[C@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)C[C@H](C)S1 562469137 NRYGZQCNLAKJMY-HOTGVXAUSA-N 322.477 4.551 30 20 DJED C=CCn1c(S[C@H](C#N)C2CCCCC2)nc2ccccc21 569378788 BFZHVPAEGGGBEP-QGZVFWFLSA-N 311.454 4.787 30 20 DJED CCC[C@@H](NC(=O)[C@H](C#N)CC)c1ccc(Cl)c(Cl)c1 593439570 IQXACZGAVRAHBG-IINYFYTJSA-N 313.228 4.501 30 20 DJED N#CC1(CC(=O)Nc2ccc3oc(C4CC4)nc3c2)CCCCC1 596782272 GVBFUSKBDDLEHG-UHFFFAOYSA-N 323.396 4.508 30 20 DJED C[C@H](NCC(C)(C)CCC#N)c1ccc(F)cc1C(F)(F)F 599047268 RIUTWRYKVQVBDD-NSHDSACASA-N 316.342 4.825 30 20 DJED C=CCn1c([C@H](C)CC)nnc1N1CCC[C@H]1c1ccccc1C 685546038 IRFXZKJEEIHTMD-QAPCUYQASA-N 324.472 4.628 30 20 DJED CC(Cc1ccccc1C)=NNc1ncnc2sc(C)c(C)c12 743424438 JXZDZIOOGNAUGO-UHFFFAOYSA-N 324.453 4.647 30 20 DJED CC(=NNc1ccc(Cl)nc1)c1cc(Cl)ccc1Cl 743450919 UHEJGTWGUUMAOD-UHFFFAOYSA-N 314.603 4.878 30 20 DJED Cc1ccc(-c2cccc(C=NOCc3cccnc3)c2)cc1 746587162 HFVNAZUZAZHMFG-UHFFFAOYSA-N 302.377 4.608 30 20 DJED COc1cc(/C=C\C(=O)c2cc(F)ccc2F)ccc1SC 757474109 JCQDICBHJDPUPO-CLTKARDFSA-N 320.360 4.591 30 20 DJED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1cccc(Cl)c1F 759652849 LRVATVUWKQSFKU-CMDGGOBGSA-N 320.795 4.769 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2csc(Cl)c2Cl)s1 761477927 BVZJCUJOILPPGL-HNQUOIGGSA-N 314.218 4.884 30 20 DJED CC(C)(C#N)CCCCOC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 768648549 JWTKCUDUSYEHQS-CVEARBPZSA-N 319.832 4.707 30 20 DJED CCCC(=CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1)CCC 771287083 PVPPRCOSXBCRDS-HNNXBMFYSA-N 309.413 4.574 30 20 DJED C#CCCCCC(=O)N1CC=C(c2cccc3ccccc23)CC1 773293864 TURQHFUPZJZXOW-UHFFFAOYSA-N 317.432 4.649 30 20 DJED O=C(/C=C\c1cccc(C(F)(F)F)c1)c1ccnc(Cl)c1 779460574 RLJHAZQAUHXMPV-PLNGDYQASA-N 311.690 4.650 30 20 DJED COc1cc(C)c(C(=O)/C=C/c2scnc2C2CC2)cc1C 782351372 JSRMZBXOUJKFOB-VOTSOKGWSA-N 313.422 4.542 30 20 DJED C[C@]1(c2ccccc2)CC[C@H](Nc2cccc(OCC#N)c2)C1 783661369 VNJIIMYNZOYAAV-ICSRJNTNSA-N 306.409 4.511 30 20 DJED C#CC[C@H](NC[C@H](OC(C)C)c1ccccc1)c1ccccc1 794459582 DABBRXUIXKKDHT-SFTDATJTSA-N 307.437 4.507 30 20 DJED FC(F)(F)c1ccccc1ON=Cc1ccc2occc2c1 794924152 VJZJXZYUHZDXIZ-UHFFFAOYSA-N 305.255 4.865 30 20 DJED Cc1cc(C(=O)/C=C\c2c(C)nc3sc(C)cn23)c(C)s1 797110215 XPGNPXYILVUZPL-WAYWQWQTSA-N 316.451 4.587 30 20 DJED Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccc(C(F)(F)F)cc1 798370139 DPVSLLGQWYJDJY-RMKNXTFCSA-N 322.330 4.687 30 20 DJED Cc1ccc(NC(=O)OC(C)(C)C)cc1NC[C@H](C)CCC#N 876833897 PBZXGDZBIAEQDO-CYBMUJFWSA-N 317.433 4.694 30 20 DJED N#CCc1ccc(NC(=S)Nc2ccc3ccccc3c2)cc1 915996237 LLZZPLIXBAVUOL-UHFFFAOYSA-N 317.417 4.715 30 20 DJED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cc2ccccc2[nH]1 926603964 XPNGQRKQAOHYND-VBKZILBWSA-N 315.420 4.768 30 20 DJED CC(C)[C@@H](Nc1cccc(CC#N)n1)c1ccc(Cl)cc1F 1116636308 KVOZUDYCICIJQP-QGZVFWFLSA-N 317.795 4.749 30 20 DJED Cc1c(C(=O)O[C@@H]2CC[C@H](C#N)C2)oc2c1ccc1ccccc12 1122639213 JMGLEOVWNLZDCJ-DZGCQCFKSA-N 319.360 4.744 30 20 DJED C[C@@H]1CCCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)[C@@H]1C 1205528190 FEDCYTPMSXITSL-VXGBXAGGSA-N 319.474 4.570 30 20 DJED Cc1cccc(CN(CC(C)C)c2nc(Cl)c(C#N)s2)c1 1306944701 SEWMPHDIHPJNRZ-UHFFFAOYSA-N 319.861 4.639 30 20 DJED C=CCCCc1nnc(-c2sc(-c3ccccc3)nc2C)o1 1326932303 QKBXKRRTFGIRLR-UHFFFAOYSA-N 311.410 4.677 30 20 DJED Cc1cccc(C(C)(C)CNc2nc(C)c(C#N)cc2Cl)c1 1458145518 QVOASUIWRDQOOH-UHFFFAOYSA-N 313.832 4.613 30 20 DJED Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)c1ccc(C#N)cc1 1460013176 FRNIPPWRJZIGQV-QGZVFWFLSA-N 320.436 4.726 30 20 DJED COC[C@@H](CC(C)C)Nc1ccc(Oc2ccccc2)c(C#N)c1 1462130298 XIOYBGFIQYBXFV-GOSISDBHSA-N 324.424 4.824 30 20 DJED C[C@H]1CCN(Cc2cccc(C#N)c2F)c2ccccc2S1 1615929143 OPXUFUABJIPRFV-ZDUSSCGKSA-N 312.413 4.588 30 20 DJED Cc1c(Cl)cnc(N[C@H](C)c2ccc(F)cc2Cl)c1C#N 1639959988 JAOCOFJSUOBKDS-SECBINFHSA-N 324.186 4.881 30 20 DJED N#Cc1cccc(SCc2ccccc2OCC(F)(F)F)c1 1651840269 HAFIMBADHOQGES-UHFFFAOYSA-N 323.339 4.792 30 20 DJED C[C@@H](Sc1ccc(C#N)cc1Cl)C(=O)c1cccc(F)c1 1651873658 PRDNGADGGVEEPO-SNVBAGLBSA-N 319.788 4.714 30 20 DJED Cc1ccc2sc(COc3ccc(C#N)c(Cl)c3)nc2c1 1651930181 IDJSTBRIGLJHHP-UHFFFAOYSA-N 314.797 4.709 30 20 DJED Cc1cc(C)c(/C=C/CNc2cccc(OCC#N)c2)c(C)c1 1652158523 HLUHELFERFZOSX-VMPITWQZSA-N 306.409 4.640 30 20 DJED N#Cc1ccc(OCCc2cccc(Cl)c2Cl)c(F)c1 1652720369 BXGWRJFAQAWUDR-UHFFFAOYSA-N 310.155 4.626 30 20 DJED CC[C@@H](OCCN(C)[C@H](C)c1cccc(C#N)c1)c1ccccc1 1653972376 CUZLPGWMDAFWCY-DYESRHJHSA-N 322.452 4.719 30 20 DJED CCC(CC)[C@H](NCc1ccc(C#N)cc1F)c1ccccc1 1655384681 RGJTXGLHKRBOJD-FQEVSTJZSA-N 310.416 4.964 30 20 DJED Cc1c(C#N)c(SCC2CCC(F)(F)CC2)nc2c1CCC2 1656127336 JTZFCGRFYKHWHU-UHFFFAOYSA-N 322.424 4.668 30 20 DJED C[C@@H](CCC#N)CN1Cc2ccccc2C[C@@H]1c1ccccc1 1658871483 KHYARQKCHPKWCQ-LAUBAEHRSA-N 304.437 4.726 30 20 DJED N#Cc1c(F)cccc1CN[C@H]1CCC[C@@H](c2ccccc2)C1 1659107426 XLFYNOXOVQQXLT-AEFFLSMTSA-N 308.400 4.513 30 20 DJED C[C@H](Cc1ccc(F)cc1Cl)Nc1cccc(CC#N)c1 1659236346 PUEMZVUEUBQJCX-GFCCVEGCSA-N 302.780 4.588 30 20 DJED CCC[C@@H](NC(=O)Nc1cc(C)cc(C#N)c1)c1ccccc1 1672282271 SAKFIEIJWVAXKT-GOSISDBHSA-N 307.397 4.530 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1cccc(C2CC2)c1 1675080289 WFALHAXOLLFXCL-AWEZNQCLSA-N 319.408 4.627 30 20 DJED CCCCCC[C@H]1CCCC1=NNc1cccc(C(=O)O)c1 1776036840 CPNXLQGDXIHWPO-AWEZNQCLSA-N 302.418 4.923 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NCc1ccc(CC)cc1 1776783996 CDVAOFSZJGDIRR-SFHVURJKSA-N 305.462 4.542 30 20 DJED O=C(O)/C=C/c1ccc(/C=C/C(=O)c2ccc(C3CC3)cc2)cc1 1777623829 BIKMJENJWZKKIL-ACFHMISVSA-N 318.372 4.558 30 20 DJED C[C@H](NCc1ccc(Cl)cc1Cl)c1ccc(C#N)cc1 35256385 IYWISJJMBCFZAY-NSHDSACASA-N 305.208 4.716 30 20 DJED CC[C@@H](Nc1snc(Cl)c1C#N)c1ccc(F)cc1F 77987145 ANCMZTZVLZPRRA-LLVKDONJSA-N 313.760 4.510 30 20 DJED CC[C@@H](C(=O)[C@H](C#N)c1nc(C(C)C)cs1)c1ccccc1 80459276 WPDPBLWAGCXBJM-CABCVRRESA-N 312.438 4.637 30 20 DJED CC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1cc(C)ccc1OC 91731419 DFHPHMNXDAMQEQ-DNVCBOLYSA-N 308.425 4.677 30 20 DJED CCCCC[C@@](C)(CC)C(=O)Nc1ccc(F)cc1OCC#N 189419581 BSHVZBVZSFZIBU-GOSISDBHSA-N 320.408 4.663 30 20 DJED C[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccc(Cl)cc1 192933425 OAYUZGXPBXBELM-KBPBESRZSA-N 314.816 4.654 30 20 DJED C[C@H](Nc1ccc(OCC(F)(F)F)cc1)c1cccc(C#N)c1 192984456 DGGLNARCXAORSZ-LBPRGKRZSA-N 320.314 4.672 30 20 DJED CC(=O)Nc1cccc(N=Cc2c(O)ccc3ccccc23)c1C 255511731 DDDXHFPSTCTGPK-UHFFFAOYSA-N 318.376 4.563 30 20 DJED COc1ccc(CNc2ccc(C#N)cc2)cc1OC1CCCC1 301157715 ATDGWSOSXUKEPO-UHFFFAOYSA-N 322.408 4.500 30 20 DJED Cc1cc(C)n(-c2ccc([C@H](C)Nc3ccc(C#N)cc3)cc2)n1 301679642 RLOPHGPEYCPPRV-INIZCTEOSA-N 316.408 4.534 30 20 DJED CCOc1cccc([C@@H](C)Nc2ccc3cc(C#N)ccc3n2)c1 301979108 OSENDFUETZCMLW-CQSZACIVSA-N 317.392 4.678 30 20 DJED OC(=Nc1ccc2c(c1)oc1ccccc12)[C@H]1C[C@@]12CCOC2 329603287 LIGATIQMRONWIX-DNVCBOLYSA-N 307.349 4.601 30 20 DJED COc1ccc([C@H](C)[C@@H](C)N[C@@H](CCC#N)c2ccccc2)cc1 358332343 VRXWYEDTAKFMBM-LZJOCLMNSA-N 322.452 4.822 30 20 DJED CC(C)C[C@H](NCCCCC#N)c1cccc(Br)c1 358747905 IEVDSBBCGVSTSZ-INIZCTEOSA-N 323.278 4.820 30 20 DJED N#CC1(CSCc2csc(-c3ccc(F)cc3)n2)CCC1 419355357 DVMSXSQPVMNKGW-UHFFFAOYSA-N 318.442 4.876 30 20 DJED Cc1cccc(NC(=O)[C@@H](C)S[C@@H](C)c2cccc(C#N)c2)c1 443151856 BVCPDAVBESPORR-LSDHHAIUSA-N 324.449 4.688 30 20 DJED Cc1nc(CNc2ccccc2SC[C@@H](C)C#N)c(C)s1 443458502 BDYHUGDBITYGCF-NSHDSACASA-N 317.483 4.624 30 20 DJED C=CCSCCN[C@H](C)c1csc(-c2ccccc2F)n1 462799638 VPSREKQUBMMLBH-GFCCVEGCSA-N 322.474 4.519 30 20 DJED C=CCC(CC=C)C(=O)N[C@@H](C)c1cc2cccc(F)c2o1 475083097 HSHZVBMWCQPMIH-LBPRGKRZSA-N 301.361 4.518 30 20 DJED C[C@@H](SCCCOc1cccc(C#N)c1)c1ccc(C#N)cc1 477363667 TYNKDCMBONHTOL-OAHLLOKOSA-N 322.433 4.693 30 20 DJED C=CCCCCCN[C@@H](CC)c1nc(C(F)(F)F)cs1 488283835 MLSHTHJTANUZIE-NSHDSACASA-N 306.397 4.949 30 20 DJED Cc1ccc(C#N)cc1NCc1csc(-c2cccs2)n1 500971771 BSCWQBQCVNACOC-UHFFFAOYSA-N 311.435 4.664 30 20 DJED C=CCN(Cc1ccccc1)Cc1cc(-c2cccs2)on1 502297589 BRYGRLUZAJCYBM-UHFFFAOYSA-N 310.422 4.591 30 20 DJED CCCC[C@@H](C)C(=O)Nc1ccccc1S[C@H](C)CC#N 503318340 GAOJCVVJQLGECH-ZIAGYGMSSA-N 304.459 4.846 30 20 DJED CCCN(CC(C)C)C(=O)c1ccccc1-c1ccccc1C#N 514536061 CKMOLMONLDTAAR-UHFFFAOYSA-N 320.436 4.733 30 20 DJED CC[C@H](CC#N)N[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 514741914 VXBFXHNYUINQEV-BZUAXINKSA-N 310.363 4.623 30 20 DJED C=CCCC(=O)N[C@H](CCC)c1ccc(Cl)c(Cl)c1 523287455 IHMBMYVRVHQHIT-CQSZACIVSA-N 300.229 4.917 30 20 DJED CC(C)c1ccc(CSc2c(C#N)nnc3ccccc23)cc1 525357985 OFQASIMRQWXAES-UHFFFAOYSA-N 319.433 4.917 30 20 DJED C=CCCC[C@H](C)NC(=O)c1cccc(-c2csc(C)n2)c1 538331348 FIASXPMPTJRZHR-ZDUSSCGKSA-N 314.454 4.593 30 20 DJED CC(C)(C#N)c1ccccc1CN1CC[C@H](c2ccccc2F)C1 550210431 BXEZYGUKXOGEID-INIZCTEOSA-N 322.427 4.616 30 20 DJED CC(F)(F)c1ccc(-c2noc(C3(C#N)CCCCC3)n2)cc1 558521410 NXNUMZFNRPGMRP-UHFFFAOYSA-N 317.339 4.574 30 20 DJED C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(CC#N)cc1Cl 562557594 PSKVBORPJGYGTC-GXTWGEPZSA-N 304.821 4.561 30 20 DJED C[C@@H](CC(=O)N[C@](C)(C#N)C1CCCCC1)C1CCCCC1 568861463 JSYRJXJFGISREX-HNAYVOBHSA-N 304.478 4.572 30 20 DJED CC(C)Oc1ccc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 572742637 GGISVHLLJVXGEE-MRXNPFEDSA-N 320.436 4.685 30 20 DJED C=CCOc1cccc(NC(=O)N(C)C[C@H](C)c2ccccc2)c1 589726174 ARQGYNTXWXVYLK-INIZCTEOSA-N 324.424 4.519 30 20 DJED Cc1cc(F)ccc1C(=O)/C=C/c1cccc(OC(F)F)c1 731320749 YTFKPFFXBXSMMY-VMPITWQZSA-N 306.283 4.632 30 20 DJED O=C1/C(=C\c2cnc(-c3ccccc3)s2)Cc2cc(F)ccc21 734305523 WQGCDSNPQXVNGW-UVTDQMKNSA-N 321.376 4.772 30 20 DJED Cc1ccc(CNCc2cccc(-c3ccc(C#N)s3)c2)s1 740014108 MMXXEXRCGNSOHN-UHFFFAOYSA-N 324.474 4.947 30 20 DJED 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O=C(/C=C\c1ccc(C(F)(F)F)s1)c1ccnc(Cl)c1 761479561 LXCCNKCINFDQCG-IWQZZHSRSA-N 317.719 4.711 30 20 DJED C#CC[C@H](NCC1CCC(C(F)(F)F)CC1)c1ccccc1 767182809 MFJICXGFAPJCBB-PREGVCBESA-N 309.375 4.709 30 20 DJED CC(C)(C#N)c1ccccc1COc1ccc(Cl)cc1C=O 768290398 GKDCOHLNKYNIIX-UHFFFAOYSA-N 313.784 4.533 30 20 DJED CCCc1ccc(NCc2cccc(OCCCC#N)c2)cc1 770480140 FOPAHQTUYRGREI-UHFFFAOYSA-N 308.425 4.934 30 20 DJED C#CCOc1ccccc1NCc1c(Cl)ccc2cccnc12 775363237 XWVQYPXOUTUNDV-UHFFFAOYSA-N 322.795 4.512 30 20 DJED O=C(/C=C\c1nc2c(s1)CCCC2)c1ccc(Cl)s1 776262114 ACXYYYKCMAHNNE-YVMONPNESA-N 309.843 4.633 30 20 DJED C#CCCCCCC(=O)N[C@H](C)c1ccc(SC(C)C)cc1 779903854 MJOVHXKACJKRER-MRXNPFEDSA-N 317.498 4.948 30 20 DJED CSc1ccc(Cl)c(C(=O)OCC2(C#N)CCCCC2)c1 780487510 VMFIODFQONZTBW-UHFFFAOYSA-N 323.845 4.693 30 20 DJED CC(C)(C#N)CCCOC(=O)c1cc2cc(F)ccc2s1 782087846 QIQVWNKEGVXBIP-UHFFFAOYSA-N 305.374 4.527 30 20 DJED C[C@H](ON=C(c1ccccc1)C(F)(F)F)c1ccc(C#N)cc1 784677348 SNVZERDLKHYIDZ-LBPRGKRZSA-N 318.298 4.602 30 20 DJED CCc1cccc(C)c1NN=C(C)c1c(C)nn(C(C)C)c1C 799493706 MIIZTRBUAUUUSP-UHFFFAOYSA-N 312.461 4.788 30 20 DJED C[C@@H](C#N)OCCSCc1ccccc1Oc1ccccc1 802749674 JPHVRYRQRXMXDM-HNNXBMFYSA-N 313.422 4.641 30 20 DJED C[C@@H](Nc1ccccc1NC(=O)C#CC(C)(C)C)c1ccccc1 848041308 ZFQIZMOYMDIDHI-MRXNPFEDSA-N 320.436 4.848 30 20 DJED N#CCOc1cc(F)ccc1NCc1ccc(F)c2ccccc12 864009413 WPEFNJSIFZUSTL-UHFFFAOYSA-N 324.330 4.632 30 20 DJED C=CC(C)(C)CC(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C 879298118 UMPDREVONMYEBJ-ZDUSSCGKSA-N 308.491 4.697 30 20 DJED CCCOc1ccc(/C=C\C(=O)c2ccc(F)cc2F)cc1 916128331 ZJUPVACAIXDKCD-YHYXMXQVSA-N 302.320 4.650 30 20 DJED O=C(/C=C/c1c(F)cccc1F)c1cccc(C(F)(F)F)c1 916136887 BRKJPPAESRBVFY-BQYQJAHWSA-N 312.237 4.880 30 20 DJED N#CCCn1cc(C=NNc2cccc(Cl)c2)c2ccccc21 916269428 NMOMHOBDGLRARH-UHFFFAOYSA-N 322.799 4.654 30 20 DJED CCCCCCCC(=O)N1CCC[C@@H]1Cc1cccc(OC)c1 917820475 KSQUIMUMMJPTKS-GOSISDBHSA-N 317.473 4.589 30 20 DJED CCc1c(C(=O)/C=C2\COc3ccc(F)cc32)oc2ccccc12 918155252 FUSXYPRCDHMJSE-FMIVXFBMSA-N 322.335 4.793 30 20 DJED CC(C)[C@H](CC1CCCCC1)C(=O)[C@H](C#N)c1cccc(F)n1 1122714540 LUTNWMQEDZEQGC-JKSUJKDBSA-N 316.420 4.640 30 20 DJED N#Cc1ccc(N[C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)nc1 1163531850 VGGFEPAJIZRECA-NVXWUHKLSA-N 311.816 4.745 30 20 DJED Cc1ccc(C[C@@H](C#N)Sc2ccc(Cl)cc2C#N)cc1 1165755613 RNFGCWODJUZHIJ-INIZCTEOSA-N 312.825 4.747 30 20 DJED CCc1nc(C)c(C(C)=NNc2ccc(C)c(Cl)c2)s1 1251905943 ARQIWTURMFPKAA-UHFFFAOYSA-N 307.850 4.812 30 20 DJED Cc1nc(NCC2(c3ccccc3)CCCCC2)ccc1C#N 1306922132 KRBLQLRRIHUTTM-UHFFFAOYSA-N 305.425 4.576 30 20 DJED N#Cc1ccccc1/C=C\c1nnc(-c2cccc3ccccc23)o1 1324114530 YNOAWWDZQFOUSX-SEYXRHQNSA-N 323.355 4.932 30 20 DJED CC1(C)CCCN(C(=O)c2ccc(-c3ccccc3)s2)[C@@H]1C#N 1326394468 QFSKHQLBEJYWTB-QGZVFWFLSA-N 324.449 4.569 30 20 DJED COc1cccc([C@@H](C)Sc2nc(C#N)c(Cl)s2)c1 1458248821 RDILQRGFPDAMEA-MRVPVSSYSA-N 310.831 4.530 30 20 DJED C=C(Br)CN(C)[C@@H]1CCCC[C@@H]1c1ccccc1 1460246449 LDBFLBWRBNZPFN-HZPDHXFCSA-N 308.263 4.553 30 20 DJED CCSCc1ccc(NC(=O)[C@H](CC#N)c2ccccc2)cc1 1521766896 JEZDUYZWBMSRDV-GOSISDBHSA-N 324.449 4.576 30 20 DJED CC[C@@H](Cc1ccccc1C)C(=O)O[C@H](C)c1ccc(C#N)cc1 1533619886 UMHUNYHQIVDFLX-AEFFLSMTSA-N 321.420 4.740 30 20 DJED Cc1cc(N[C@@H]2CCC(C)(C)C2)n2c(nc3ccccc32)c1C#N 1612151866 JBTCKRQVBJURBS-CQSZACIVSA-N 318.424 4.658 30 20 DJED CC[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)c1ccc(F)cc1 1612177945 XCHRKHWFOASIJK-MRXNPFEDSA-N 311.404 4.953 30 20 DJED CC[C@H](Cc1ccccc1)N(CC)Cc1ccc(C#N)cc1C 1616274280 ARDVHQNNVJZYKF-OAQYLSRUSA-N 306.453 4.710 30 20 DJED C[C@@H]1CCCC[C@@H]1COc1cc(C#N)ccc1Br 1641344236 IKWIFZLBFLAIRG-DGCLKSJQSA-N 308.219 4.526 30 20 DJED CC(C)c1cnc(SCc2ccc(C#N)cc2F)n1C1CC1 1651823418 CNNJMAOZXNIDKV-UHFFFAOYSA-N 315.417 4.644 30 20 DJED CC(C)(C)c1ccc(C#N)c(OCc2ccc(Cl)c(F)c2)n1 1652056301 YKRLMXACWRXNGE-UHFFFAOYSA-N 318.779 4.622 30 20 DJED N#Cc1ccc(CN(Cc2cccc(F)c2)C2CCCC2)s1 1653718542 UNGZVRMAPBXKSY-UHFFFAOYSA-N 314.429 4.704 30 20 DJED N#C[C@@H]1CC[C@H](Nc2c(-c3ccccc3)[nH]c3ccccc23)C1 1658969956 SDWQYQYEWYPZGD-ZBFHGGJFSA-N 301.393 4.939 30 20 DJED Cc1cc(CNC[C@H]2CCC(C)(C)c3ccccc32)ccc1C#N 1661945700 RRZJDRKDWZIVRA-LJQANCHMSA-N 318.464 4.812 30 20 DJED Cc1cccc(C(=O)/C=C/c2csc3ccc(C(=O)O)cc23)c1 1776126995 DLKWBDYVUDWBQJ-FNORWQNLSA-N 322.385 4.804 30 20 DJED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccsc2)cc1 55429028 KNLRCWYSUZQDAB-UHFFFAOYSA-N 320.373 4.664 30 20 DJED O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 59270316 XJXGLGMZGVEUMD-JXMROGBWSA-N 321.254 4.510 30 20 DJED COc1cc(C(=O)/C=C/c2ccc(F)cc2F)ccc1SC 60245384 ZVTZUFDYEZOTMU-QPJJXVBHSA-N 320.360 4.591 30 20 DJED C[C@H](NCc1ncc(-c2ccccc2)s1)c1ccc(C#N)cc1 92367791 VAFRFVLKIRQLPA-AWEZNQCLSA-N 319.433 4.533 30 20 DJED CCCCN(CC)C(=O)Nc1ccccc1S[C@@H](C)CC#N 109028120 WQSXFKYKNPMKTF-AWEZNQCLSA-N 319.474 4.735 30 20 DJED C=CCCCCCN(C)C(=O)Nc1c(F)cc(Cl)cc1F 182779915 WHCCMTPCPDPWDV-UHFFFAOYSA-N 316.779 4.828 30 20 DJED COc1ccsc1[C@@H](C)Nc1cccc(OCCCC#N)c1 186244524 JONFUKLBLNZJNS-CYBMUJFWSA-N 316.426 4.612 30 20 DJED C=CCC[C@H](C(=O)Nc1cnn([C@@H](C)C2CC2)c1)c1ccccc1 186430011 KYMHNXGWLCAGFM-KXBFYZLASA-N 323.440 4.543 30 20 DJED C=C(C)[C@H](N[C@@H](C)c1cnn(C(C)C)c1)c1ccc(F)c(F)c1 186451979 NSEHNJCQGMIMDD-UGSOOPFHSA-N 319.399 4.710 30 20 DJED C[C@H](NC[C@H](c1ccccc1)C(F)(F)F)c1ccc(C#N)cc1 186840959 PFMQBRMKAIVCEN-SUMWQHHRSA-N 318.342 4.555 30 20 DJED C=CC[C@H](C(=O)Nc1cccc(COCC)c1)c1ccccc1 187428461 OXAIJTCAWWSFJV-IBGZPJMESA-N 309.409 4.522 30 20 DJED C=CC[C@@H](C(=O)Nc1cccc(-c2ncco2)c1)c1ccccc1 188828392 BXUUAPIIISHZHH-GOSISDBHSA-N 318.376 4.640 30 20 DJED C[C@@H](N[C@@H]1CCSc2c(F)cccc21)c1ccc(C#N)cc1 192988826 LVLBGLZCYIDHEX-SJKOYZFVSA-N 312.413 4.585 30 20 DJED CC(C)[C@H](CNCc1ccc(O[C@H](C)C#N)cc1)c1ccccc1 236680569 FDZGUKIPARDHLQ-UTKZUKDTSA-N 322.452 4.507 30 20 DJED CC[C@@](C)(/N=C(/O)c1csc(C(C)(C)C)n1)c1nccs1 330873349 YRVSCDOMDZQQLX-OAHLLOKOSA-N 323.487 4.527 30 20 DJED C[C@H](CN[C@@H]1CCCCc2cc(C#N)ccc21)CC(F)(F)F 414269219 ORTBSWZRSKLISJ-BLLLJJGKSA-N 310.363 4.504 30 20 DJED Cc1cccc(Cl)c1C[S@@](=O)CCC1(C#N)CCCCC1 417199895 WBOAQUVDKVQGJS-NRFANRHFSA-N 323.889 4.761 30 20 DJED C[C@H](c1ccccc1)N(C(=O)CC(C)(C)C#N)c1ccccc1 447396580 LCBRHOWOBZEOKA-MRXNPFEDSA-N 306.409 4.721 30 20 DJED CCOCCC1(CN[C@H](CC)c2ccc(C#N)cc2)CCCC1 447581591 VKXBDOWZOAZECE-LJQANCHMSA-N 314.473 4.586 30 20 DJED CC(C)Oc1ccc(Cl)cc1NC(=O)C1(C#N)CCCCC1 464668894 NAFXKBHIVRUTFA-UHFFFAOYSA-N 320.820 4.540 30 20 DJED C=CCCC(=O)N[C@H](CC(C)C)c1ccccc1OCCC 470241876 NATILHBMKDXLCC-QGZVFWFLSA-N 303.446 4.645 30 20 DJED C=C(C)[C@@H](NC(=O)N1CCCC[C@@H]1CC)c1ccc(F)c(F)c1 483286988 AOALHQPLJXIQDT-WMLDXEAASA-N 322.399 4.556 30 20 DJED Cc1cccc([C@H](NCc2ccc(C#N)c(F)c2)C(C)(C)C)c1 484078455 UWMIHPVDHZQWQG-IBGZPJMESA-N 310.416 4.883 30 20 DJED C=CC[C@H](C(=O)N[C@H]1CCCc2sccc21)c1ccccc1 490279861 SGRURBJMAAMHAD-RDJZCZTQSA-N 311.450 4.602 30 20 DJED N#Cc1ccc(Oc2ccc(C(F)(F)F)cn2)c2ccccc12 515437010 KUZHIFXSMOWWMH-UHFFFAOYSA-N 314.266 4.918 30 20 DJED CCOc1ccc(C(F)(F)F)cc1NCC(C)(C)CCC#N 537730822 RFTWDBJOUYOIAJ-UHFFFAOYSA-N 314.351 4.846 30 20 DJED C=CCC[C@H](NCc1cccc([N+](=O)[O-])c1C)c1ccccc1 540460885 ULOSQJSAOXDGSA-SFHVURJKSA-N 310.397 4.700 30 20 DJED CC#CCN(C)[C@@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1 550141258 RJSOVRLJIHIBSU-NSHDSACASA-N 323.223 4.665 30 20 DJED CC(C)Oc1ccccc1[C@H](C)N[C@H]1CCc2ccc(C#N)cc21 583351949 YTONNMRNZRBSFS-YWZLYKJASA-N 320.436 4.684 30 20 DJED C[C@@H](c1ccccc1)N(C(=O)CCCCCC#N)C1CCCC1 591857646 VXUOIJDWIVCLPA-KRWDZBQOSA-N 312.457 4.993 30 20 DJED CCCC(C)(C)C(=O)Nc1ccccc1SC[C@H](C)C#N 593058217 IWRAHLXGFMWBII-CYBMUJFWSA-N 304.459 4.703 30 20 DJED CCN(CCCCC#N)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 595869111 UPNJIAAGJUFETO-AWEZNQCLSA-N 312.379 4.652 30 20 DJED C=CCCCCCN(C)C(=O)N[C@H](c1cccs1)C1CC1 606968368 UFLRLFUIHKNGEW-INIZCTEOSA-N 306.475 4.587 30 20 DJED N#CCCCOc1cccc(NCc2cscc2Cl)c1 610930598 KQQJZINTSVJFGB-UHFFFAOYSA-N 306.818 4.696 30 20 DJED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1Oc1ccccc1 619672622 MADBZZWOLAUKHZ-BBWFWOEESA-N 306.409 4.822 30 20 DJED C=CC[C@H]1CCCN(C(=O)Nc2c(C)cc(C)cc2Cl)C1 665193603 DRJXYNUHONWFAO-AWEZNQCLSA-N 306.837 4.777 30 20 DJED C=CCSc1ccccc1C(=O)N[C@@H]1CCc2ccc(C)cc21 681598102 GBSJELJNMVDFGW-GOSISDBHSA-N 323.461 4.690 30 20 DJED CC(=NNc1ccc(C(F)(F)F)cn1)c1cccc(C)c1C 734296690 BKBNBGUVSGCFBA-UHFFFAOYSA-N 307.319 4.553 30 20 DJED CCCCCCCCC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C 735642324 XRVWSGSNRKVZQZ-SJLPKXTDSA-N 311.510 4.695 30 20 DJED CCCCCCCCC(=O)N1CC[C@H](c2ccccc2OC)C1 737739732 LEKIINCNRPYAFN-KRWDZBQOSA-N 317.473 4.762 30 20 DJED FC(F)(F)c1cccc(NN=C2CC[C@H]3CCCC[C@@H]3C2)n1 739421570 KIEUHYKYMFDPTD-VXGBXAGGSA-N 311.351 4.859 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)C[C@H](C)CC(C)(C)C)n1 747193665 MBACAFAILIPQIC-QWHCGFSZSA-N 306.475 4.905 30 20 DJED Cc1csc([C@@H](C)C/N=C/c2c(O)ccc3ccccc23)n1 753996445 UMGQZVBUFJSHFI-NJDFMEINSA-N 310.422 4.533 30 20 DJED O=C(/C=C\c1ccc(O)c(F)c1)c1cc(Cl)ccc1Cl 755571030 SUXFOKFVEQVWOF-KTAJNNJTSA-N 311.139 4.734 30 20 DJED CC(C)(C)c1ncc(/C=C\C(=O)c2cc(F)cc(F)c2)s1 755707583 ZXXPNECNXIDLJQ-PLNGDYQASA-N 307.365 4.615 30 20 DJED CC(=NNc1ccc(Cl)cc1Cl)c1ccc(N)cc1C 758096544 VPMDLJOUOHHOKL-UHFFFAOYSA-N 308.212 4.720 30 20 DJED c1ccc(C2CCC(=NNc3ncnc4ccsc34)CC2)cc1 764841174 NEDTZHKUUOHHJH-UHFFFAOYSA-N 322.437 4.817 30 20 DJED CC[C@]1(C)Oc2ccc(N[C@@H](C)c3cccc(C#N)c3)cc2O1 785572258 XMRSSYVZUWGAMQ-ORAYPTAESA-N 308.381 4.629 30 20 DJED CCc1ccc(C(=O)/C=C/c2cnc(-c3ccco3)s2)s1 789131096 SYIRGQICZOZEIQ-FNORWQNLSA-N 315.419 4.923 30 20 DJED C=CCC[C@H](C(=O)Nc1ccc(Cl)nc1C)c1ccccc1 790251092 WPRHCBRTFJSJIO-HNNXBMFYSA-N 314.816 4.732 30 20 DJED CC(C)(C)C[C@@H]1C[C@H]1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 842786031 YIAICDACFNJRNK-YNEHKIRRSA-N 318.486 4.689 30 20 DJED C=C(Cl)CSCc1csc(-c2cccc(OC)c2)n1 913514879 UJKYIUQAPNDYPJ-UHFFFAOYSA-N 311.859 4.804 30 20 DJED CCCCCCCC(=O)Nc1cc(NC(=O)C(C)C)ccc1C 915647165 WCGXCNXRNIZPKA-UHFFFAOYSA-N 318.461 4.889 30 20 DJED CO[C@H]1CCCCC1=NNc1cc(C)c2ccc(C)c(C)c2n1 915955919 LTHWYACYTMKPRS-KRWDZBQOSA-N 311.429 4.517 30 20 DJED CC(=NNc1ncnc2sc(C)c(C)c12)c1ccc(C)s1 917025914 IIYBLFYKBHKJLT-UHFFFAOYSA-N 316.455 4.514 30 20 DJED CC(=NNc1cccc(Cl)c1)c1nc2ccccc2s1 917563946 XRVDJOGXMCAKEU-UHFFFAOYSA-N 301.802 4.786 30 20 DJED CC/C=C(/C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 920010044 PKSZHUWSFNMNNQ-NSIKDUERSA-N 306.365 4.645 30 20 DJED CCC(CC)Oc1ccc(C(=O)Nc2cccc(C#N)c2C)cc1 1127065246 BCSMFALXQWGSDL-UHFFFAOYSA-N 322.408 4.686 30 20 DJED N#Cc1cccc(CN(CCc2cccc(F)c2)C2CCCC2)c1 1168184644 TYYNMSIOEZPNFN-UHFFFAOYSA-N 322.427 4.685 30 20 DJED CC(C)Oc1ccc(C#N)cc1NCc1cccc(Cl)c1F 1178900572 FZBHRQYYPBNBFF-UHFFFAOYSA-N 318.779 4.750 30 20 DJED C/C(=C\c1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1Cl 1257872191 FTHHQVWUPSSNGZ-ZRDIBKRKSA-N 321.767 4.822 30 20 DJED CN(CCC1CCCCC1)c1c(Br)cccc1C#N 1306952572 GROQVBBCKNDZSU-UHFFFAOYSA-N 321.262 4.727 30 20 DJED CCCN(Cc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 1307553484 PUTMCVGNFZGPAI-UHFFFAOYSA-N 314.816 4.659 30 20 DJED CCC(CC)[C@H](NCc1cccc(C#N)c1F)c1ccccc1 1307621772 UOTCOIDQDGLWOX-FQEVSTJZSA-N 310.416 4.964 30 20 DJED C=CCN(CC1CCCCC1)C(=O)Nc1ccc(C)nc1Cl 1346532648 LJTCFZLDOACRAW-UHFFFAOYSA-N 321.852 4.644 30 20 DJED N#Cc1cc(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)ccc1Cl 1351843427 OBDQOWVKRIFKHB-HDJSIYSDSA-N 316.832 4.757 30 20 DJED CC[C@H](CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C(C)C 1361171382 UXHJITGWUHYCOY-LLVKDONJSA-N 312.335 4.588 30 20 DJED CCC(CC)(CNc1nc(C#N)c(Cl)s1)c1ccccc1 1458221695 ABPNAQDBNFCUPR-UHFFFAOYSA-N 319.861 4.838 30 20 DJED Cc1c(Cl)cnc(N[C@@H]2CCC[C@@H]2c2ccccc2)c1C#N 1458538287 ZRUQSWXPKYWXHU-RHSMWYFYSA-N 311.816 4.663 30 20 DJED COc1cccc(CN(Cc2ccc(C#N)cc2)CC(C)C)c1C 1459383636 ULVXVOIFMNLADQ-UHFFFAOYSA-N 322.452 4.534 30 20 DJED C[C@H]1c2c(F)cccc2CCN1Cc1ccccc1C(C)(C)C#N 1459544381 QMTSEWYKAZDCPG-HNNXBMFYSA-N 322.427 4.746 30 20 DJED Cc1nsc(Oc2ccc(OCc3ccccc3)cc2)c1C#N 1472640376 YIQQJDDXEZQOAB-UHFFFAOYSA-N 322.389 4.695 30 20 DJED Cc1ccc(C[C@@H]2CCCN(Cc3ccc(CC#N)cc3)C2)cc1 1473135532 RPCMQIQQESKPAW-QFIPXVFZSA-N 318.464 4.516 30 20 DJED C[C@@H](NCc1ccc(Cl)cc1C#N)c1ccc2c(c1)CCCC2 1473362729 JGCGKGYTLXGUBK-CQSZACIVSA-N 324.855 4.941 30 20 DJED CCN(C(=O)c1ccc(C2CC2)cc1)[C@@H](C)c1ccc(C#N)cc1 1527009219 FHFPOMUWYMZAGI-HNNXBMFYSA-N 318.420 4.659 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)[C@H](C)C3CCC3)c2C#N)[C@@H](C)C1 1527031374 ABIHTLGYPUTUCI-SDDRHHMPSA-N 316.470 4.680 30 20 DJED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(C3CCCCC3)cc2)C1 1535479562 UEDSSIKIGTYKTE-HNAYVOBHSA-N 311.425 4.973 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)c1ccc(C2CC2)cc1 1543962545 QXUFQNBKJJMKJA-UHFFFAOYSA-N 319.408 4.510 30 20 DJED N#C[C@H]1CCC[C@H](NCc2cccc(Oc3ccccc3F)c2)C1 1560914395 JALVXDNDBWTOIA-RDJZCZTQSA-N 324.399 4.790 30 20 DJED CCCc1ccc(CCCC(=O)O[C@H]2CCC[C@H](C#N)C2)cc1 1596979300 WGDNCFLKXQOJTK-OALUTQOASA-N 313.441 4.587 30 20 DJED CCC(CC)CN(CCC#N)C(=O)[C@H]1CC[C@H](C(C)C)CC1 1627308650 HODULNOBRIBFNG-IYARVYRRSA-N 306.494 4.627 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)CCc1c(F)cccc1Cl 1646330984 POETXASLHSGHQS-CYBMUJFWSA-N 316.807 4.586 30 20 DJED N#CC1(CCSc2ncnc3ccsc23)CCCCC1 1651720868 UEVUICVZMZJXND-UHFFFAOYSA-N 303.456 4.648 30 20 DJED CCc1cccc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 1652554791 KDJOCQXBDMIXKN-SFTDATJTSA-N 304.437 4.521 30 20 DJED Cc1ccc([C@@H]2CCC[C@H]2N(C)Cc2ccc(C#N)cc2C)cc1 1652575626 PHPIVGCZMDAEIW-FCHUYYIVSA-N 318.464 4.943 30 20 DJED CC1(c2cccc(Cl)c2)CCN(Cc2cccc(C#N)c2)CC1 1654280959 GLWSJYIBZMTYAM-UHFFFAOYSA-N 324.855 4.765 30 20 DJED C[C@@H]1CC(Nc2ccc(Oc3ccnc(C#N)c3)cc2)C[C@@H](C)C1 1662563211 FFMVCHZZAGQTMY-GJZGRUSLSA-N 321.424 4.982 30 20 DJED Cc1csc(NC(=O)N(C)c2ccc(C(C)C)cc2)c1C#N 1669739897 HUURKGQWAGDXQJ-UHFFFAOYSA-N 313.426 4.720 30 20 DJED CCC(CC1CCCCC1)=NNc1ccc(F)c(C(=O)O)c1 1776064021 UZXLYLWDWRMNMW-UHFFFAOYSA-N 306.381 4.672 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1coc2ccccc12 1776784426 KXYVTGJNWWZIAV-MRXNPFEDSA-N 317.429 4.726 30 20 DJED O=C1/C(=C/c2ccc(Cl)s2)CCOc2ccc(F)cc21 29217691 RMLGLPGEMIWNNO-VQHVLOKHSA-N 308.761 4.589 30 20 DJED N#Cc1ccccc1CN[C@@H](Cc1ccccc1)c1ccccc1 53098406 JDCFDEYPMQAFRP-QFIPXVFZSA-N 312.416 4.632 30 20 DJED C[C@@H](CC(=O)Nc1cccc(OCCCC#N)c1)c1ccccc1 55568037 LKTFXFQJDCFFLK-INIZCTEOSA-N 322.408 4.501 30 20 DJED N#Cc1ccc2nc(N3CCC[C@H]3c3cccs3)ccc2c1 179880850 TYHSHDPGNAQMCL-INIZCTEOSA-N 305.406 4.509 30 20 DJED CC(C)(NCc1cc(C#N)ccc1F)c1cccc(Cl)c1F 186893762 HRJFZOYCGUVSPZ-UHFFFAOYSA-N 320.770 4.515 30 20 DJED CC(C)Oc1c(Cl)cccc1NCc1ccc(C#N)cc1 236609037 LRWVRIWRTRKXJR-UHFFFAOYSA-N 300.789 4.611 30 20 DJED OC(C/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)=Nc1ccccc1 329038992 ZQEYWQZJQQNDHI-BHYGNILZSA-N 314.429 4.838 30 20 DJED Cc1c([C@H](C)/N=C(/O)C[C@H]2CCCC(O)=N2)oc2ccccc12 329329164 KVTBAEFTTZBHFX-QWHCGFSZSA-N 314.385 4.658 30 20 DJED CCC(C)(C)C1CCC(/N=C(/O)[C@H](C)c2cncnc2)CC1 330287793 CPYQFXGVZRXYEJ-IUDNXUCKSA-N 303.450 4.532 30 20 DJED Cc1nc(C)c(C/N=C(/O)Nc2ccc(C(C)(C)C)cc2)s1 330979348 LYFPTWQOZXFUCH-UHFFFAOYSA-N 317.458 4.584 30 20 DJED Cc1oc(C(C)C)cc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 353745655 KJIJITHEUCNYMR-CYBMUJFWSA-N 316.426 4.781 30 20 DJED C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N(C)CC(C)(C)C#N 433311604 MYDHTMUJNSDLLN-LBPRGKRZSA-N 317.820 4.538 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1cc(-c2ccccc2)cnc1C 439461702 MBRXLCYDBLEHJP-KRWDZBQOSA-N 309.413 4.533 30 20 DJED N#C[C@@H]1CCC[C@@H](N[C@H](c2ccccc2F)C2CCCC2)C1 463236966 KJRCUKKQRSARAR-OGWOLHLISA-N 300.421 4.729 30 20 DJED C=CCC1(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)CCC1 478887943 SPZYSPKDICFWHB-GFCCVEGCSA-N 311.347 4.629 30 20 DJED Cc1nc(Oc2cc(C(F)(F)F)ccc2Cl)ccc1C#N 487901401 XLRQLMVHVXMGCT-UHFFFAOYSA-N 312.678 4.726 30 20 DJED N#Cc1csc(CN2CCC[C@@H]2c2cccc(Cl)c2)c1 507123339 YVHJGMVQUXCDIY-MRXNPFEDSA-N 302.830 4.610 30 20 DJED N#Cc1ccnc(SC(c2ccccc2)c2ccccc2)c1 514434905 HUOSMOJKCINNDS-UHFFFAOYSA-N 302.402 4.835 30 20 DJED C=CCOc1cccc(NC(=O)N2CCCC[C@@H]2[C@@H](C)CC)c1 523420782 AJRSESUWDNOYEU-MAUKXSAKSA-N 316.445 4.684 30 20 DJED C=CC[C@@H](C)N[C@H](C)c1ccc(OC(F)F)cc1OC(F)F 540170952 NIIZAUCLBFWFTP-NXEZZACHSA-N 321.314 4.505 30 20 DJED CCOc1cc(N[C@H](CCC#N)c2ccc(OC)cc2)ccc1C 556608859 KFPVPEUZDGGZJS-LJQANCHMSA-N 324.424 4.859 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc2ccccc12 557508059 JFXTZHVDECMWDO-JOCHJYFZSA-N 312.416 4.879 30 20 DJED N#CC1(NC(=O)c2ccc(C3CCCCC3)cc2)CCCCC1 585718031 VUFMCXQHCHSBMG-UHFFFAOYSA-N 310.441 4.691 30 20 DJED CCN(C(=O)c1ccc(C2CC2)cc1)c1ccc(C#N)c(Cl)c1 598822710 YCTFQRUERYGYCO-UHFFFAOYSA-N 324.811 4.756 30 20 DJED N#Cc1ccc(NCc2ccc(Cl)c(C(F)(F)F)c2)cc1 600848014 CFVQMAITDDSZJU-UHFFFAOYSA-N 310.706 4.843 30 20 DJED CC(C)(CCC#N)CN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 611259263 BKCZEOCRBFVUOI-QGZVFWFLSA-N 309.457 4.677 30 20 DJED C=CCN(Cc1ncc(-c2ccccc2)o1)Cc1ccccc1F 615464207 ZHRLUNUHRQDURT-UHFFFAOYSA-N 322.383 4.669 30 20 DJED C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 657973994 WAMIDYKEQWVQDN-TTYHFUOFSA-N 317.448 4.770 30 20 DJED C=CCCC(C)(C)NC(=O)Nc1ccccc1CC(F)(F)F 666193547 PNMYRJSOAXNCCG-UHFFFAOYSA-N 314.351 4.658 30 20 DJED O=C1/C(=C\c2nc(-c3ccccc3)cs2)Cc2cc(F)ccc21 734304931 BKADUSKHSNPDPE-UVTDQMKNSA-N 321.376 4.772 30 20 DJED CC/C(=C/C(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccc(C)cc1 741531248 DPZHSKKQEKKQSC-CQUHBBLWSA-N 318.420 4.538 30 20 DJED CC(CCc1cccc(C(F)(F)F)c1)=NOCc1cccnc1 746586346 WOIGXVHKDJJCKI-UHFFFAOYSA-N 322.330 4.626 30 20 DJED COc1cccc(/C=C2/CCc3cc(SC)ccc3C2=O)c1 748148122 QPUNJAUBZSMMDP-GDNBJRDFSA-N 310.418 4.630 30 20 DJED CCc1ccc(C(=O)/C=C\c2csc(-c3cccs3)n2)o1 752238184 PFZXFYWLZFKWQH-ALCCZGGFSA-N 315.419 4.923 30 20 DJED O=C(/C=C\c1csc(Br)c1)c1ccccc1F 757465546 QCEHPADRYONNNF-WAYWQWQTSA-N 311.175 4.546 30 20 DJED O=C1/C(=C/c2cnc(C3CCC3)s2)Cc2c(Cl)cccc21 760264682 LKEBUAXURFTXIT-YRNVUSSQSA-N 315.825 4.886 30 20 DJED O=C(/C=C\c1ccc(OC(F)F)cc1)c1ccc(O)c(Cl)c1 768756867 NQAZFLRBEYRXJG-CLTKARDFSA-N 324.710 4.543 30 20 DJED C[C@@H]1CC[C@@H](C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)C1 776513344 XSGLNCCEEYDMDI-FOGDFJRCSA-N 318.829 4.562 30 20 DJED C#CCCCCCC(=O)Nc1ccccc1SC(F)(F)F 779844735 LBNMYXMRABRSQQ-UHFFFAOYSA-N 315.360 4.821 30 20 DJED C#CCCCCCC(=O)Nc1cccc(CCC(F)(F)F)c1 779932211 YNKWHPCEODXWSR-UHFFFAOYSA-N 311.347 4.704 30 20 DJED CCc1ccc(C(=O)/C=C/c2cn(C)nc2C2CCCCC2)o1 783711030 QYFROVXEOWOJRN-PKNBQFBNSA-N 312.413 4.519 30 20 DJED CC[C@H](C)CCCCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 784876854 YOTWIRGVVZMELY-ZFWWWQNUSA-N 311.429 4.654 30 20 DJED CC(=C/c1cccc([N+](=O)[O-])c1)/C=C/C(=O)c1cccc(F)c1 787168089 PCNFJAFPPCIHRW-WOKGKLDWSA-N 311.312 4.576 30 20 DJED CCc1ccc(N(CC(C)C)C(=O)c2cccc(CC#N)c2)cc1 794126006 HBDPYIKQYHKIAX-UHFFFAOYSA-N 320.436 4.618 30 20 DJED FCC[C@@H]1CCCC1=NNc1nc(-c2ccccc2)cs1 794887484 IOYGXMOPWBLMRN-ZDUSSCGKSA-N 303.406 4.738 30 20 DJED C[C@H](Nc1nc(Cl)c(C#N)s1)c1cccc2ccccc12 804326382 QSQDRYONJVJQGV-JTQLQIEISA-N 313.813 4.994 30 20 DJED O=C(/C=C/c1c(Cl)ccc(Cl)c1Cl)c1cccnc1 818194665 MPCSPOZSNFRNKP-ZZXKWVIFSA-N 312.583 4.938 30 20 DJED C[C@H](Nc1ccccc1C(C)(F)F)c1ccc(OCC#N)cc1 834880607 BWKFIUWFZSPGKA-ZDUSSCGKSA-N 316.351 4.874 30 20 DJED C[C@@H]1CC=C(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)CC1 835069863 JHLMTEBZZRCEQP-CZUORRHYSA-N 322.433 4.733 30 20 DJED CC(C)=CCC[C@@H](C)CC(=O)[C@H](C#N)c1cnc2ccccc2n1 842775773 QBIRTHPLZDQWCC-HZPDHXFCSA-N 321.424 4.579 30 20 DJED CCC/C=C\C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 920745852 CMKVGBVMRJTPHR-WAYWQWQTSA-N 320.392 4.954 30 20 DJED N#Cc1cc(Cl)ccc1SCc1cn2ccccc2c1C#N 1165763846 HJQAIVZNUHTAAU-UHFFFAOYSA-N 323.808 4.628 30 20 DJED CCC(CC)CN(CCC#N)Cc1csc(C(F)(F)F)c1 1180030141 IVNGNHOMRNSUDW-UHFFFAOYSA-N 318.408 4.919 30 20 DJED Cc1c(Cl)cnc(N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1C#N 1185273132 MQXCJRKRKRZGBG-HYSWKAIVSA-N 303.837 4.542 30 20 DJED CCCN(CCOc1cccc(C#N)c1)[C@@H](CC)c1ccccc1 1307435835 SHFMDXCQVPXXFA-NRFANRHFSA-N 322.452 4.800 30 20 DJED CC(C)[C@@H](Cc1ccccc1)C(=O)O[C@@H](C)c1cccc(C#N)c1 1435508850 QEKPBXYFXSPGFI-OXJNMPFZSA-N 321.420 4.677 30 20 DJED N#Cc1cc(Cl)ccc1NC(=O)CC(C1CCC1)C1CCC1 1461553442 VPYXLPDLCWXKEP-UHFFFAOYSA-N 316.832 4.757 30 20 DJED Cc1cc(C)c(C(=O)N(CC(C)C)c2ccc(C#N)cc2)s1 1526174091 ZWUZMBWZCMYYAV-UHFFFAOYSA-N 312.438 4.539 30 20 DJED CC1=C(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)CCC1 1527165275 SHGUJAACZQJEPQ-CMPLNLGQSA-N 314.454 4.744 30 20 DJED C[C@H](OC(=O)Cc1ccc2ccccc2c1)c1ccc(C#N)cc1 1531747714 OVGRAJRODOCWBL-HNNXBMFYSA-N 315.372 4.558 30 20 DJED CC(C)C[C@@H]1CCCCCN1C(=O)CC1(C#N)CCCCC1 1532002419 PHWOGEXGXXANIJ-KRWDZBQOSA-N 304.478 4.668 30 20 DJED CC(C)(C)[C@H]1CCCN(C(=O)CC2(C#N)CCCCC2)CC1 1538090665 FBSKUPFSEDETSI-INIZCTEOSA-N 304.478 4.525 30 20 DJED CC[C@H](Cc1ccc(Cl)cc1)Nc1c(C#N)cccc1C#N 1559102887 HKOHZEYLGIHVBW-QGZVFWFLSA-N 309.800 4.517 30 20 DJED C[C@@H]1Cc2c(sc(NC(=O)CCC3(C)CC3)c2C#N)[C@@H](C)C1 1583694347 IYPPNEHUXCRVAB-RYUDHWBXSA-N 316.470 4.824 30 20 DJED Cc1cc(N[C@H]2CCC(C)(C)C2)n2c(nc3ccccc32)c1C#N 1612151865 JBTCKRQVBJURBS-AWEZNQCLSA-N 318.424 4.658 30 20 DJED Cc1cccc(SCc2ccc(C#N)cc2Br)c1 1613504922 JDZXQIFULQBMAO-UHFFFAOYSA-N 318.239 4.922 30 20 DJED CC(C)(C)c1ccc2c(c1)CCCN2Cc1cccc(C#N)c1F 1642297264 UBKQAYONEHSXMW-UHFFFAOYSA-N 322.427 4.948 30 20 DJED N#Cc1nc(Oc2ccc(Cl)c(Cl)c2)sc1Cl 1651296223 YBIKKCJMBDPUKM-UHFFFAOYSA-N 305.573 4.767 30 20 DJED Cc1c(C#N)c(SC[C@H]2CCCCC2(F)F)nc2c1CCC2 1651686399 RLMOZYUYNZILKL-GFCCVEGCSA-N 322.424 4.668 30 20 DJED C[C@@H](c1ccc(C#N)cc1)N1CCC(=Cc2cccc(F)c2)CC1 1657864574 GFNMHOGUHFGLMA-INIZCTEOSA-N 320.411 4.938 30 20 DJED Cc1c(NN=C(CCc2ccccc2)C(C)C)cccc1C(=O)O 1776086651 GQSSTGDLSIUCJM-UHFFFAOYSA-N 324.424 4.750 30 20 DJED C[C@H](Nc1ccc(OCC#N)cc1)c1ccc(F)cc1Cl 37228570 XADHCTCVXXAOLF-NSHDSACASA-N 304.752 4.555 30 20 DJED CC(C)(C#N)c1ccccc1CSc1ncnc2ccccc12 119155407 LWHBHWGOJNLWJG-UHFFFAOYSA-N 319.433 4.723 30 20 DJED C/C=C(\C=C\C(=O)Nc1ccccc1S[C@@H](C)CC#N)CC 121319947 LDFBURVCQMRQQJ-ZGKPGLJGSA-N 314.454 4.932 30 20 DJED Cc1ccc(Cl)c(NCc2ccc(O[C@@H](C)C#N)cc2)c1 124032013 RVHZBKAIAWEGJW-ZDUSSCGKSA-N 300.789 4.551 30 20 DJED COc1ccc(C(C)(C)C)cc1NCc1ccc(C#N)s1 157471823 VLQKHYBKMSZMPD-UHFFFAOYSA-N 300.427 4.538 30 20 DJED CC(C)(CCC#N)CNCC1(c2cccc(C(F)(F)F)c2)CC1 174341653 RCQZZWXFRJOPDK-UHFFFAOYSA-N 324.390 4.657 30 20 DJED Cc1cc(Sc2ccccc2)ccc1NC(=O)C(C)(C)C#N 194274568 ASBLHNVGFBCQQR-UHFFFAOYSA-N 310.422 4.635 30 20 DJED O=C(/C=C\c1cccnc1Cl)c1ccc(C(F)(F)F)cc1 255427993 DKRKQOFWGGGKQD-YVMONPNESA-N 311.690 4.650 30 20 DJED Oc1ccccc1/C=N\[C@H](CC(F)(F)F)c1ccc(F)cc1 255511707 BRNYWNASHFBRLH-YYLUKMIBSA-N 311.278 4.644 30 20 DJED CC[C@@H](N[C@H]1CCSc2ccccc21)c1ccc(C#N)cc1 278255853 MZXPFPRIMGNNGF-MSOLQXFVSA-N 308.450 4.836 30 20 DJED N#Cc1ccc(N2CCS[C@@H](c3ccccc3)C2)cc1Cl 301810650 XHASJZXGIVOISD-QGZVFWFLSA-N 314.841 4.506 30 20 DJED C[C@H](Sc1cccc(C#N)c1)c1nccn1-c1ccccc1 344142817 RCSUWWMTBOXVFU-AWEZNQCLSA-N 305.406 4.597 30 20 DJED CC(C)(C(=O)Nc1ccc(CC#N)cc1Cl)C1CCCC1 411019554 TUAHLKVMENJZGA-UHFFFAOYSA-N 304.821 4.561 30 20 DJED Cc1oc(-c2ccccc2)nc1COc1ccc(C#N)c(Cl)c1 438901016 NNNSVUVPJSXRCH-UHFFFAOYSA-N 324.767 4.754 30 20 DJED N#C[C@H]1CC[C@@H](N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 442865424 IHNFHDNAFYEIHO-DEQVHRJGSA-N 309.240 4.521 30 20 DJED Cc1nc(C(C)C)oc1CSc1cccc(Cl)c1C#N 450908916 SRMPTFPCHFFWTQ-UHFFFAOYSA-N 306.818 4.924 30 20 DJED C[C@H](Sc1cccc(C#N)c1)C(=O)c1ccc(Cl)cc1 468633495 UYWLNBMETVZTQA-NSHDSACASA-N 301.798 4.575 30 20 DJED CCCN(Cc1ccccc1)C(=O)c1ccc(C(C)(C)C#N)cc1 474417349 WTVIZOQWQNGQLF-UHFFFAOYSA-N 320.436 4.540 30 20 DJED C[C@@H](C1CCCCC1)N(C)C(=O)C[C@H](CC#N)c1ccccc1 477089537 NSABNGHXKZDEAF-LPHOPBHVSA-N 312.457 4.501 30 20 DJED CC[C@@H](C)c1ccc([C@H](NCc2cc(C#N)n(C)c2)C(C)C)cc1 480670974 ZNUQHTGEPJQCOI-IIBYNOLFSA-N 323.484 4.897 30 20 DJED C=CCCC[C@H](C)NC(=O)Nc1ccc(C(=O)C2CCC2)cc1 486993703 CWZSUPVFEURVQS-AWEZNQCLSA-N 314.429 4.536 30 20 DJED Cc1cc(CN(C)[C@@H](C)c2nc3ccccc3s2)ccc1C#N 488178222 GUDYFCLGUXBNBZ-AWEZNQCLSA-N 321.449 4.669 30 20 DJED C=C(C)CN(CC)C(=O)Cc1cc2c(ccc3ccccc32)o1 509878173 FIEQMBAPXRSSHT-UHFFFAOYSA-N 307.393 4.553 30 20 DJED N#Cc1ccc(CSCc2cc(-c3ccccc3)no2)c(F)c1 512218959 ODIIACXXOYUISX-UHFFFAOYSA-N 324.380 4.786 30 20 DJED C/C=C\c1ccc(NCc2ccc(C#N)cc2OC(F)F)cc1 520783401 ZEYLGOJQUYLEFK-IHWYPQMZSA-N 314.335 4.805 30 20 DJED C[C@@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)[C@@H]2CCCC[C@@H]12 526981152 LWDXZRXPNXBBST-BTHPGYMESA-N 324.468 4.501 30 20 DJED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1Cc1ccc(F)cc1 532071464 DUPQYHDGAZZYEA-LJQANCHMSA-N 315.432 4.518 30 20 DJED C[C@@H](Cc1cccs1)N(CCC#N)Cc1ccc(Cl)cc1 533035588 ZXRGCVWRIZATTO-AWEZNQCLSA-N 318.873 4.748 30 20 DJED C=C[C@H](CC(=O)N[C@H]1CCC[C@@H](SCC)C1)c1ccccc1 534661090 ZSNRNONMGQIOCD-BPQIPLTHSA-N 317.498 4.527 30 20 DJED CCn1c(-c2cccc(-c3ccncc3)c2)nc2cc(C#N)ccc21 536143424 ZPHLKVRBCCLLJZ-UHFFFAOYSA-N 324.387 4.657 30 20 DJED C[C@@H]1Cc2ccc(F)cc2[C@@H]1N[C@H]1CCCc2cc(C#N)ccc21 553002658 CHFSBRMQHIRWOE-HBUDHLSFSA-N 320.411 4.598 30 20 DJED C[C@@H](NC[C@H]1CCCC[C@H]1C(F)(F)F)c1cccc(C#N)c1 554366049 WBZAZNKBJBSPEM-DAXOMENPSA-N 310.363 4.578 30 20 DJED C=CCC[C@@H](Nc1ccc([N+](=O)[O-])c(C(C)=O)c1)c1ccccc1 557641559 VTWNFYOGEZABCV-GOSISDBHSA-N 324.380 4.917 30 20 DJED CCc1ccc([C@@H](C#N)NC(=O)CC[C@H](C)c2ccccc2)cc1 568641579 NIXHIDTXPBTUFZ-OXJNMPFZSA-N 320.436 4.514 30 20 DJED CC[C@@H](C)c1ccc([C@@H](NCc2ccc(C#N)cn2)C(C)C)cc1 569822847 VPUINAPZZXSMOJ-IERDGZPVSA-N 321.468 4.954 30 20 DJED CC[C@H]1CCc2ccccc2N1C(=O)c1cc(C#N)ccc1Cl 582552899 DFKSOLTWNOVOKS-HNNXBMFYSA-N 324.811 4.583 30 20 DJED CCC(CC)[C@H]1C[C@@H](N[C@@H](CC)c2ccc(C#N)cc2)CCO1 583243393 UAQDELWMRCMJEH-SLFFLAALSA-N 314.473 4.583 30 20 DJED N#CCCCCCC(=O)N(Cc1ccccc1)Cc1ccccc1 588755491 AHBYXWHKZLDTJO-UHFFFAOYSA-N 320.436 4.689 30 20 DJED CC(NC(=O)CCCCCC#N)(c1ccccc1)c1ccccc1 588922432 UXLSPLJNBMCJNI-UHFFFAOYSA-N 320.436 4.540 30 20 DJED CC[C@H](C#N)c1ccc(-c2ccc(NC(=O)C(C)(C)C)nc2)cc1 592986357 MXCISPHHPLUASC-CQSZACIVSA-N 321.424 4.750 30 20 DJED C=CCOc1ccc(CNc2cc(F)cc(C#N)c2)cc1Cl 600861030 KPCSICLBUHRSHJ-UHFFFAOYSA-N 316.763 4.528 30 20 DJED C[C@H](CCC#N)CNc1ccc(C(F)(F)C(F)(F)F)cc1 602619583 PBYONALUVRDRBB-SNVBAGLBSA-N 306.278 4.692 30 20 DJED C[C@@H](C#N)CSc1ccccc1NCCCOC(C)(C)C 610681142 DPHLUNGRIJHNMT-AWEZNQCLSA-N 306.475 4.555 30 20 DJED Cc1nc(C(C)C)sc1[C@@H](C)N[C@H](C)c1cccc(C#N)c1 610829686 DYAOJPPEMQBMHT-CHWSQXEVSA-N 313.470 4.858 30 20 DJED Cc1cccc2c1[C@@H](C)C[C@H]2NCc1ccc(C#N)c(Cl)c1 619754995 QFBTZQCTNQSWRY-SCLBCKFNSA-N 310.828 4.858 30 20 DJED COc1ccc(/C=C/C(=O)c2cccc(C)c2)c(OC(F)F)c1 734096306 LZMMLYRYYQISOL-VQHVLOKHSA-N 318.319 4.501 30 20 DJED FC(F)(F)c1cccc(NN=C2CCC[C@@H]2c2ccccc2)n1 739421223 HMNSJHPXQWXFSY-CYBMUJFWSA-N 319.330 4.836 30 20 DJED Cc1[nH]c2ccccc2c1C=NOc1ccccc1C(F)(F)F 754712226 GYDYSAWJXOAYDP-UHFFFAOYSA-N 318.298 4.908 30 20 DJED Cc1c(C(=O)/C=C/c2nc(Cl)cs2)oc2ccccc12 759075878 PFJNKVNTDYNJLY-VOTSOKGWSA-N 303.770 4.747 30 20 DJED CC1(C)Cc2cc(/C=C\C(=O)c3cccc(F)c3F)ccc2O1 776267484 BISYMVNNXHIZMC-VURMDHGXSA-N 314.331 4.574 30 20 DJED N#CCOc1cccc(NCc2ccccc2OC2CCCC2)c1 779589168 YHFBYRCNMMDARM-UHFFFAOYSA-N 322.408 4.522 30 20 DJED Fc1cccc(C2CC(=NNc3ccc(C(F)(F)F)cn3)C2)c1 781573846 BTUZXPNAEUSPRJ-UHFFFAOYSA-N 323.293 4.585 30 20 DJED C=C[C@@H](CC(=O)N(CC)c1ccc2[nH]ccc2c1)c1ccccc1 788261973 NEVSKLAQTUTKNS-INIZCTEOSA-N 318.420 4.881 30 20 DJED CC(CCCCCCC(=O)O)=NNc1c(F)cccc1Cl 814905026 KWPXTQOIVIEWOC-UHFFFAOYSA-N 314.788 4.692 30 20 DJED CC(C)(C)c1cnc([C@H](C#N)C(=O)C2CCC3(CC2)CC3)s1 851007050 LLICENIXJJSSLH-CYBMUJFWSA-N 316.470 4.587 30 20 DJED C=CCc1ccc(OC(=O)C[C@@H](C)c2ccccc2)c(OC)c1 875112009 BGPMXQBBYZGVOD-OAHLLOKOSA-N 310.393 4.523 30 20 DJED CC[C@H](Nc1ccc(C)c(NC(C)=O)c1C)c1cccc(C#N)c1 902904046 IUVCDZDSDHYVIA-SFHVURJKSA-N 321.424 4.697 30 20 DJED CC(C)c1ccc(/C=C\C(=O)c2ccc3c(c2)CCC(=O)N3)cc1 915993605 SVCUTSYSDWRIIK-WZUFQYTHSA-N 319.404 4.591 30 20 DJED CCc1c(C(C)=NNc2ncccc2Cl)oc2ccccc12 917549567 UFUWDSYGRZKZSU-UHFFFAOYSA-N 313.788 4.880 30 20 DJED C[C@H](OC(=O)[C@H]1CCC[C@H]1c1ccccc1)c1ccc(C#N)cc1 1126637978 QWUZXOKHCJRVCF-YSSFQJQWSA-N 319.404 4.746 30 20 DJED Cc1ccc(C(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)cc1C#N 1128474752 SSZFUCASSUGNJC-GOSISDBHSA-N 318.420 4.657 30 20 DJED C[C@H]1CCC[C@H]1CC(=O)Nc1scc(C(C)(C)C)c1C#N 1129478620 UPTWYOXLNBLRNW-RYUDHWBXSA-N 304.459 4.682 30 20 DJED CCC[C@H]1CCc2ccccc2N1CCOc1cccc(C#N)c1 1191911398 ZPOJEJPMNYMFFA-IBGZPJMESA-N 320.436 4.559 30 20 DJED Cc1cc(N[C@H](C)CCC(C)C)n2c(nc3ccccc32)c1C#N 1306947434 DBTIYZVEXHEHFF-OAHLLOKOSA-N 320.440 4.904 30 20 DJED CC(C)(C)c1ccc(CCNc2cccc(OCC#N)c2)cc1 1308676746 IGJYAMAYUNJPRW-UHFFFAOYSA-N 308.425 4.541 30 20 DJED CCCSc1cccc(NC2CC(C#N)(c3ccccc3)C2)n1 1308894128 ANLBQGNXEUIEGZ-UHFFFAOYSA-N 323.465 4.620 30 20 DJED Cc1ccccc1[C@@H](NC(=O)Nc1ccc(C#N)cc1)C(C)(C)C 1309984653 OGCICCVDUTXDDI-GOSISDBHSA-N 321.424 4.776 30 20 DJED Cc1csc(NC(=O)NCC[C@H](C)CC(C)(C)C)c1C#N 1310700573 BQHJDKPAVIUVAT-NSHDSACASA-N 307.463 4.512 30 20 DJED Cc1ccc(C#N)cc1C(=O)Nc1ccc(C)c(Cl)c1Cl 1358050578 JXLAKPJVQHWFOR-UHFFFAOYSA-N 319.191 4.734 30 20 DJED CC(C)[C@H](NCCC1(C#N)CCCCC1)c1ccc(F)cc1 1460024897 OEETVJRWEPHKDB-SFHVURJKSA-N 302.437 4.977 30 20 DJED Cc1nc(N[C@@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)ccc1C#N 1472804483 BKALNDZUMQKKNU-ZOCIIQOWSA-N 305.425 4.646 30 20 DJED CCOc1ccc(C#N)cc1N[C@@H](C)CCc1ccc(F)cc1 1474430857 SDEGCSIEFYKZTB-AWEZNQCLSA-N 312.388 4.529 30 20 DJED N#Cc1ccc(Oc2nc3c(F)cc(Cl)cc3s2)c(F)c1 1559136678 ADXMXGFFMCLOOK-UHFFFAOYSA-N 322.723 4.892 30 20 DJED N#Cc1c(CS[C@H]2CCc3ccccc3C2)cn2ccccc12 1559437857 ITFGHWKUDVWFMR-SFHVURJKSA-N 318.445 4.602 30 20 DJED C=C(CNC(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1)c1ccccc1 1564611457 WMWFSHVGOALEOH-IEBWSBKVSA-N 314.473 4.604 30 20 DJED Cc1cc(SCc2nc(-c3ccccc3C)no2)ccc1C#N 1614553310 YXFDUBVUWUPGRW-UHFFFAOYSA-N 321.405 4.517 30 20 DJED COc1ccc([C@H](C)Sc2nc(C)c(C#N)cc2Cl)cc1 1650686109 WQPMAZIYXLJOMK-NSHDSACASA-N 318.829 4.777 30 20 DJED N#Cc1c(F)cccc1N1CCC[C@@H]1CCCc1ccccc1 1650862904 SCHONOSXOYXGSU-KRWDZBQOSA-N 308.400 4.689 30 20 DJED CCC(CC)CN(CCC#N)Cc1cccc(OC(C)C)c1 1657471974 RPSNVRIGCHDHOP-UHFFFAOYSA-N 302.462 4.626 30 20 DJED Cc1cc(F)c(C(F)(F)F)cc1N[C@H]1CCC[C@H](C#N)C1 1659946550 NOYZUENFGCTAJH-QWRGUYRKSA-N 300.299 4.647 30 20 DJED Cc1cc(CNC[C@@H]2CCC(C)(C)c3ccccc32)ccc1C#N 1661945699 RRZJDRKDWZIVRA-IBGZPJMESA-N 318.464 4.812 30 20 DJED CC(C)[C@H]1CCCN1C(=O)Nc1scc(C(C)(C)C)c1C#N 1677860571 OSGKBVQFGFUEAF-CQSZACIVSA-N 319.474 4.570 30 20 DJED Cc1cc(Cl)cc(C)c1/C=C\C(=O)c1ccc(C(=O)O)s1 1777423436 OBMWFIVGMJBTSI-ARJAWSKDSA-N 320.797 4.613 30 20 DJED CCOc1cc(C#N)ccc1OCc1cc(Cl)ccc1Cl 87759994 AMOAMYSDSNWDGI-UHFFFAOYSA-N 322.191 4.843 30 20 DJED O=C1/C(=C\c2ccc(Cl)s2)CSc2ccc(F)cc21 111170301 AVFZDGBFDKHKJM-YVMONPNESA-N 310.802 4.913 30 20 DJED C=C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)c1ccccc1 155717157 KOJCEKTZTLMKEB-KRWDZBQOSA-N 320.436 4.585 30 20 DJED C[C@H](N[C@@H](C)c1cc2ccccc2o1)c1ccc(OCC#N)cc1 191633160 OODVAAYGODQLJX-GJZGRUSLSA-N 320.392 4.747 30 20 DJED CC(=O)[C@H](C)SCCC(C#N)(c1ccccc1)c1ccccc1 193068278 GUNVOEJFZPEYAH-KRWDZBQOSA-N 323.461 4.597 30 20 DJED N#CCc1cccc(C(=O)Nc2cccc(-c3cccs3)c2)c1 195387293 KDIMGFZQZJIYKG-UHFFFAOYSA-N 318.401 4.733 30 20 DJED N#Cc1ccc(/C=C(/Cl)c2nc3cc(F)c(F)cc3[nH]2)s1 255576589 XAKQXMWOGQERSE-YCRREMRBSA-N 321.739 4.511 30 20 DJED COc1ccc([C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C2CC2)cc1 271937443 NPTHGRBPMQHHBF-RNODOKPDSA-N 324.399 4.508 30 20 DJED N#Cc1cccc(NC(=O)N[C@@H](c2ccccc2)C2CCCC2)c1 409741695 QXDHJVIIRFHCEE-IBGZPJMESA-N 319.408 4.611 30 20 DJED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 410143379 CKIIQWPPHNALHC-CYZMBNFOSA-N 312.240 4.568 30 20 DJED C=C[C@@H](CC(=O)NCC[C@H](C)c1ccccc1)c1ccccc1 410217888 VQBZVYPWSOUSOD-ROUUACIJSA-N 307.437 4.656 30 20 DJED CCCC[C@@H](CC)CC(=O)N[C@H](CCC#N)c1ccccc1 439671173 GYDKFAHXEGLUNU-SJLPKXTDSA-N 300.446 4.754 30 20 DJED N#C[C@@H]1CC[C@@H](Sc2ncc(-c3ccc(Cl)cc3)o2)C1 450768325 KYBIGFKPCDGILM-ZWNOBZJWSA-N 304.802 4.779 30 20 DJED CCC(CC)N(C(=O)c1ccc(CC#N)cc1)c1cccc(C)c1 471426455 YGXJUUCPGHXCGS-UHFFFAOYSA-N 320.436 4.897 30 20 DJED CC(C)Oc1cccc(/C=C/c2nc3ccccc3n2CC#N)c1 486080194 UUWVZSVJJMMOFH-ZHACJKMWSA-N 317.392 4.517 30 20 DJED CCCN(C(=O)CC(C)(C)C#N)[C@@H](C)c1cc2ccccc2o1 486241596 CLBHBTVOOKUEPY-AWEZNQCLSA-N 312.413 4.672 30 20 DJED C[C@H](NCc1ccccc1C(C)(C)C#N)[C@H](C)c1ccccc1 495401023 IEFREBMNMJNVQQ-IRXDYDNUSA-N 306.453 4.770 30 20 DJED C=C(C)CCc1noc(/C=C\c2cnc(C(C)(C)C)s2)n1 508670524 IGGZUDKUWMGEDD-CLFYSBASSA-N 303.431 4.503 30 20 DJED N#CCCCOc1cccc(CNCCCC2CCCCC2)c1 518766351 ZFEXNUOTHHJXAC-UHFFFAOYSA-N 314.473 4.819 30 20 DJED COc1ccc([C@@H](Cc2ccccc2)NCCC(C)(C)C#N)cc1 521944081 GSDOXWPAJDDNFS-HXUWFJFHSA-N 322.452 4.508 30 20 DJED C=CCC(CC=C)c1nc(-c2ccccc2CN2CCCC2)no1 545534054 XPWUFHAYRDTZSV-UHFFFAOYSA-N 323.440 4.568 30 20 DJED N#CCc1ccc(NC2CCC(c3ccc(O)cc3)CC2)cc1 545549435 INOUSJWUFNLVBT-UHFFFAOYSA-N 306.409 4.597 30 20 DJED C=CCC(C)(C)c1noc([C@H](C)Cn2ccc3ccccc32)n1 556361540 HATQPGGAECYXNJ-CQSZACIVSA-N 309.413 4.682 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc2occc2c1 572763097 CQYVQVWQOASDGX-UXHICEINSA-N 316.404 4.705 30 20 DJED CC(C)c1ccc2occ(C(=O)N(C)c3ccc(C#N)cc3)c2c1 583957552 CYMFCOWBWMARFU-UHFFFAOYSA-N 318.376 4.704 30 20 DJED C=CCCC(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 588216591 UZPSLUDCXPNBCE-UHFFFAOYSA-N 314.816 4.857 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1cc2cc(C)ccc2[nH]1 601734012 JCEJFDGDXFIECE-UHFFFAOYSA-N 310.441 4.685 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 603519074 QCVXJASASSLTFT-OALUTQOASA-N 324.468 4.535 30 20 DJED Cc1cc(S[C@@H](C#N)Cc2ccccc2)nc2ccccc12 604020654 ZFQMZVJWGPIOGX-MRXNPFEDSA-N 304.418 4.770 30 20 DJED N#Cc1ccc(CNc2ccc(F)cc2OC2CCCC2)s1 611168107 IKFCTIRSFXRWTA-UHFFFAOYSA-N 316.401 4.692 30 20 DJED Cc1ccc2nc(/C=C/c3cccc(OCC#N)c3)ccc2c1 730150675 DPHHULDZFLUSTB-SOFGYWHQSA-N 300.361 4.616 30 20 DJED Cc1ccsc1C(=O)/C=C\c1ccc(Br)s1 733749352 KYPPKEVXKZUVHH-RQOWECAXSA-N 313.241 4.777 30 20 DJED CCOc1ccc(C(=O)/C=C\c2cnc(C(C)(C)C)s2)cc1 736433343 SIUBEHYMQAYJCH-KHPPLWFESA-N 315.438 4.735 30 20 DJED Oc1ccc2ccccc2c1/C=N\Cc1cc2ccccc2[nH]1 746682173 RZFPHYWDBVQAQA-BKUYFWCQSA-N 300.361 4.646 30 20 DJED CCOc1cc(C=NNc2cccc3ccccc23)ccc1OC 747060498 TZUZTETYILJCNI-UHFFFAOYSA-N 320.392 4.693 30 20 DJED CC(=NNc1ccc(F)cc1F)c1sc(C(C)C)nc1C 751127024 HHYIUGGYCRPYGX-UHFFFAOYSA-N 309.385 4.689 30 20 DJED Clc1cccc(C2CC(=NNc3cnnc4ccccc34)C2)c1 753931863 JCSOQGOJWHKJLH-UHFFFAOYSA-N 322.799 4.629 30 20 DJED COc1ccsc1/C=C\C(=O)c1ccc(C(F)(F)F)cc1 764433369 RHTGRUDONMNTTM-SREVYHEPSA-N 312.312 4.672 30 20 DJED C#CC[C@@H](NCC1CCC(C(F)(F)F)CC1)c1ccccc1 767182737 MFJICXGFAPJCBB-BDVYOWHSSA-N 309.375 4.709 30 20 DJED CC(C)CN(Cc1ccccc1)Cc1ccc(O[C@@H](C)C#N)cc1 768671035 XMBAEODQPFMWDY-SFHVURJKSA-N 322.452 4.636 30 20 DJED C[C@H](NCc1ccc(C#N)c(F)c1)c1csc2ccccc12 792287451 LGAKQQYOZHNXHF-LBPRGKRZSA-N 310.397 4.763 30 20 DJED Cc1nn(C(C)C)cc1/C=C\C(=O)c1oc2ccccc2c1C 798369538 JLSZNUWXZQTGJC-KTKRTIGZSA-N 308.381 4.723 30 20 DJED C[C@H]1/C(=C\c2cccc(OC(F)F)c2)C(=O)c2ccccc21 809159778 WNOXQRHBDFEWOP-HPUUJOOBSA-N 300.304 4.671 30 20 DJED N#Cc1ccc(C(F)(F)F)nc1SCCC(F)=C(F)F 863324217 SSALLSZSCVLROI-UHFFFAOYSA-N 312.238 4.532 30 20 DJED C=C1CC(c2noc([C@@H](F)c3ccc(C(F)(F)F)cc3)n2)C1 896877043 FPKZCLJIUMXTFS-LBPRGKRZSA-N 312.266 4.581 30 20 DJED C=CCC1(c2nc(-c3ccsc3C(F)(F)F)no2)CCC1 904921678 CRTMNYXMLLJTTF-UHFFFAOYSA-N 314.332 4.815 30 20 DJED C=CCN(C(=O)c1csc(-c2ccc(Cl)cc2)n1)C(C)C 914683198 KLSQZTFQBJKXFU-UHFFFAOYSA-N 320.845 4.500 30 20 DJED N#Cc1ccc(F)c(C(=O)Nc2cc(C(F)F)ccc2Cl)c1 1128705192 LUQCSFMDTPRAIP-UHFFFAOYSA-N 324.689 4.541 30 20 DJED CCc1ccc([C@H]2CCCN(Cc3ccc(C#N)cc3C)C2)cc1 1194116676 ULILIKATSSLYMP-QFIPXVFZSA-N 318.464 4.809 30 20 DJED N#Cc1ccc(CNCC2CCC(c3ccccc3)CC2)cc1 1200345179 BLPIBTMNNBMOJY-UHFFFAOYSA-N 304.437 4.622 30 20 DJED CCOc1ccc(C#N)cc1N[C@@H]1CC[C@H](c2ccccc2)C1 1205348169 YKAVVGYWDHUUQY-ZWKOTPCHSA-N 306.409 4.705 30 20 DJED C[C@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@H](C)c1ccccc1 1306987116 WAFDIUKHRRVWEC-RYUDHWBXSA-N 319.330 4.576 30 20 DJED N#Cc1ccc(CCN2CCC[C@@H]2CCC2CCCCC2)cc1 1307583908 SLTDBXCHPKJNOG-OAQYLSRUSA-N 310.485 4.926 30 20 DJED CN(Cc1ccc(Cl)cc1C#N)[C@H]1CCC[C@H]1C(C)(C)C 1307853049 OYBBYRJPAYGCQR-SJORKVTESA-N 304.865 4.858 30 20 DJED C[C@@H]1CC[C@H](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 1349234182 IJCAYIKKPXFYKZ-OLZOCXBDSA-N 316.470 4.653 30 20 DJED CC[C@H](CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C(C)C 1352002146 ULDGIBVDMWBNJU-CHWSQXEVSA-N 318.486 4.755 30 20 DJED Cc1ccc(C#N)cc1NC(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1 1361270080 PUGTUSYPIZQLAO-GXTWGEPZSA-N 324.346 4.564 30 20 DJED Cc1c(C#N)cccc1NC(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1 1435497091 PFBZLNSGHLWBEQ-JSGCOSHPSA-N 324.346 4.564 30 20 DJED CCc1nc(C(C)C)ccc1C(=O)O[C@@H](C)c1cccc(C#N)c1 1435509194 XUTHLGLHOYHIFJ-AWEZNQCLSA-N 322.408 4.557 30 20 DJED N#Cc1ccccc1Oc1ccc(Nc2ncncc2Cl)cc1 1458131689 CXPAQDXTGJKUCC-UHFFFAOYSA-N 322.755 4.538 30 20 DJED CC(C)(CC#N)CNCc1ccc(Oc2cccc(F)c2)cc1 1461566061 GMYMSUFOXDGBSX-UHFFFAOYSA-N 312.388 4.647 30 20 DJED N#Cc1ccc(CN2CC3(CCCC3)c3c(F)cccc32)s1 1473270170 OUMZHPJNQKUJAU-UHFFFAOYSA-N 312.413 4.591 30 20 DJED CC(C)[C@@H]1CCc2ccccc2N1Cc1ccc(OCC#N)cc1 1473351394 ZUQDGRQAQYDJTO-FQEVSTJZSA-N 320.436 4.566 30 20 DJED C[C@@H](CC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C1CC1 1518355514 CJBGSDDMMNNSIY-AWEZNQCLSA-N 320.392 4.725 30 20 DJED N#Cc1cccc(N(C(=O)C2[C@@H]3CCCCCC[C@@H]23)C2CCC2)c1 1538998439 SQYUPJACESEUKZ-RTBURBONSA-N 322.452 4.660 30 20 DJED CCC(C#N)(CC)C(=O)Nc1nc2c(C)ccc(Cl)c2s1 1539609621 SFPGUWJHCQSMGF-UHFFFAOYSA-N 321.833 4.527 30 20 DJED CCN(Cc1ccc2ccccc2c1)c1ncc(C#N)cc1Cl 1559135415 JLMGADZZIBRLPL-UHFFFAOYSA-N 321.811 4.786 30 20 DJED Cc1ccc([C@H]2CCCCN2Cc2ccc(F)cc2C#N)cc1 1559559919 AJCWINVFGNOSHY-HXUWFJFHSA-N 308.400 4.733 30 20 DJED C[C@@H](Cc1coc2ccccc12)N[C@@H]1CCc2cc(C#N)ccc21 1560806519 WMMDYJAVABDGDJ-VBKZILBWSA-N 316.404 4.513 30 20 DJED CC[C@@H](CC1CCCCC1)C(=O)Nc1nc(C)cc(C)c1C#N 1587095991 ALACRAOMJSLIIP-INIZCTEOSA-N 313.445 4.505 30 20 DJED N#Cc1cccc(C#N)c1N1C[C@H](c2ccccc2)c2ccccc21 1642645598 MVLAMGDCQLDSDO-HXUWFJFHSA-N 321.383 4.714 30 20 DJED N#Cc1ccc(OCc2ccc(Cl)c(Br)c2)cc1 1656051276 HEAFBBIWXDXPMZ-UHFFFAOYSA-N 322.589 4.553 30 20 DJED CC(C)CC[C@H](NC(=O)Nc1cc(C#N)ccc1F)C(C)(C)C 1678266361 MFXQAIMNJWJYSM-INIZCTEOSA-N 319.424 4.670 30 20 DJED C=C(Cl)CNC(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C 1682361042 ZPJAFNMLOXDZBF-INIZCTEOSA-N 308.853 4.559 30 20 DJED Cc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)s1 66801174 ZBJKHCFHZVMEHJ-LBPRGKRZSA-N 316.451 4.703 30 20 DJED COc1ccc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)c(F)c1 90665880 MPLCLFJLLNLKDG-KUHUBIRLSA-N 312.388 4.530 30 20 DJED CCc1ccccc1NC(=O)CS[C@@H](C)c1ccc(C#N)cc1 118445023 XKNMLESTEDVTED-AWEZNQCLSA-N 324.449 4.554 30 20 DJED N#CCC[C@H](C#N)COc1ccc(-c2ccccc2)cc1Cl 119241288 OOCDCQBVHGQNEW-CQSZACIVSA-N 310.784 4.829 30 20 DJED CC[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)c(Br)c1 228180715 UVFSAROECZDMMT-ABAIWWIYSA-N 307.235 4.701 30 20 DJED N#CCCNc1nc(C2CC2)nc2scc(-c3ccccc3)c12 362684191 OHIHTYWOYTYEAS-UHFFFAOYSA-N 320.421 4.561 30 20 DJED C=CC[C@H](C(=O)NC1CC(C)(c2ccccc2)C1)c1ccccc1 410081777 JKCOOOONWMHULN-FUHYEJFZSA-N 319.448 4.583 30 20 DJED Cc1csc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c1 410617486 KGIDUJUTJQBPCZ-UHFFFAOYSA-N 304.440 4.540 30 20 DJED CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccccc1SC[C@H](C)C#N 448936770 IBVAPLBGVDBXIC-RBSFLKMASA-N 316.470 4.559 30 20 DJED C[C@H](C(=O)N[C@H](c1ccccc1)C(C)(C)C)c1cccc(C#N)c1 461930189 DENAWQJLADYUEB-HNAYVOBHSA-N 320.436 4.565 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CC[C@H](CSc2ccccc2)C1 464760410 GZKRNSGMGHBDCY-AEFFLSMTSA-N 322.477 4.733 30 20 DJED C=CC[C@H](CC)NC(=O)N(Cc1cccc(Cl)c1)C(C)C 466378873 UDHVWSXZSNDZBP-INIZCTEOSA-N 308.853 4.615 30 20 DJED C=CCCN(C)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 466555186 LFIMRYXVANLOCT-UHFFFAOYSA-N 317.458 4.634 30 20 DJED N#CC1(CN2CCCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 469516105 XQUHVJIRGHEXFS-HNNXBMFYSA-N 308.347 4.536 30 20 DJED CC[C@H]1CN(C(=O)C2(C#N)CCCCC2)CC[C@H]1c1ccccc1 470193637 KPSBORLTTPKVCU-PKOBYXMFSA-N 324.468 4.503 30 20 DJED CCCN(Cc1ccccc1)C(=O)C[C@H](CC#N)c1ccccc1 474412475 NDYGWDICFNBWEK-FQEVSTJZSA-N 320.436 4.513 30 20 DJED C=C(C)[C@H](N[C@@H](C)C1CCSCC1)c1ccc(F)c(F)c1 474924218 ATAPXGFTGFQZQQ-SJCJKPOMSA-N 311.441 4.703 30 20 DJED CCOc1ccc(C#N)cc1NC(=O)CCCC1CCCCC1 500553295 JKPBBFSOBAQYRH-UHFFFAOYSA-N 314.429 4.646 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccc(Cl)s1 512506032 GEVQIFVRQIBEBT-UHFFFAOYSA-N 323.893 4.757 30 20 DJED CC(C)CCN(CCC#N)Cc1ccc(Cl)c2cccnc12 513736529 DHCTYVCXUMDXJC-UHFFFAOYSA-N 315.848 4.650 30 20 DJED C=CC[C@H](C)NC(=O)N[C@@H](c1oc2ccccc2c1C)C(C)C 522664814 DKTDKPLVUVWFCK-SUMWQHHRSA-N 314.429 4.702 30 20 DJED CC(C)(C#N)CCCNC1(c2c(Cl)cccc2Cl)CC1 539331370 JERCHTFSLWXRJC-UHFFFAOYSA-N 311.256 4.902 30 20 DJED C=CCC(C)(C)c1noc([C@@H](C)Cn2ccc3ccccc32)n1 556361536 HATQPGGAECYXNJ-AWEZNQCLSA-N 309.413 4.682 30 20 DJED CC(C)(C)c1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1Cl 584870138 GLTXSQXYYHNZEN-ZDUSSCGKSA-N 312.800 4.523 30 20 DJED N#Cc1ccc(NC(=O)Nc2cccc(OC3CCCC3)c2)cc1 603500846 KFBNEYVCULSXKP-UHFFFAOYSA-N 321.380 4.524 30 20 DJED CS[C@H]1CCC[C@H](Nc2ccc(C#N)cc2C(F)(F)F)C1 609964222 XVILNQFAYLJNIV-RYUDHWBXSA-N 314.376 4.663 30 20 DJED Cc1c(F)cccc1NC(=O)c1c(Cl)cc(C#N)cc1Cl 611094899 FBNVQLPTXJQUBQ-UHFFFAOYSA-N 323.154 4.565 30 20 DJED CCc1cccc(Cl)c1CNCc1ccc(C#N)c(Cl)c1 619748836 WAZNXDUYCMBKQV-UHFFFAOYSA-N 319.235 4.717 30 20 DJED C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc2ccccc2n1 619755265 VBPKJMHDVKNHPE-CYBMUJFWSA-N 321.811 4.611 30 20 DJED C#Cc1cccc(NC(=S)N2CCC[C@H]2c2cccc(C)c2)c1 726472457 PCPGZKBQRZDPPJ-IBGZPJMESA-N 320.461 4.510 30 20 DJED Cc1cccc(C(=O)/C=C/c2cccc(OC(F)F)c2)c1C 734305309 PWGSTLOWEQIYPV-MDZDMXLPSA-N 302.320 4.801 30 20 DJED C=CC[C@H](NC(=O)C[C@H](CC)c1ccc(C)cc1)c1ccncc1 737855606 ZSVJEEMZSQYEKE-PXNSSMCTSA-N 322.452 4.707 30 20 DJED C#CCCCCCc1nc(COc2ccc3ccccc3c2)no1 761732765 KPCOOESTIVMQEV-UHFFFAOYSA-N 320.392 4.538 30 20 DJED N#Cc1csc(/C=C2/Cc3cc(Cl)cc(Cl)c3C2=O)c1 764431126 AVGCPPSEQCPSCK-WMZJFQQLSA-N 320.200 4.749 30 20 DJED C=CC[C@@H](N[C@@H](C)c1ccc(F)cc1Cl)c1ccncc1 766022985 YSTXGGNLJJCGFU-YVEFUNNKSA-N 304.796 4.842 30 20 DJED CCCCCCCCCN(C)C(=O)c1coc(C2CCC2)n1 766447583 PGDVOLUHZJQUCG-UHFFFAOYSA-N 306.450 4.765 30 20 DJED Cc1cc(/C=C/C(=O)c2cccc(-c3ccncc3)c2)ccc1C#N 766492575 ZFULYWHFNXVYSB-SOFGYWHQSA-N 324.383 4.825 30 20 DJED C[C@@H](NC[C@H]1CCC=CO1)c1ccc(-c2cccc(C#N)c2)cc1 775055293 SKJYKWNQHHKPFJ-IIBYNOLFSA-N 318.420 4.569 30 20 DJED COc1cc(-c2ccccc2)ccc1/C=C\C(=O)c1ccncc1 781107680 WOBBNQKMDBIIGB-KTKRTIGZSA-N 315.372 4.653 30 20 DJED O=C(/C=C/c1sccc1Cl)c1c(Cl)nc2ccccn12 782342188 ONGQOFJGJXSUSH-SNAWJCMRSA-N 323.204 4.599 30 20 DJED Cc1c(C(=O)/C=C/c2cc(Cl)cs2)cccc1[N+](=O)[O-] 782342660 RCCFULLVJCDKBD-AATRIKPKSA-N 307.758 4.514 30 20 DJED Cc1ccc2c(c1C)C(=O)/C(=C\c1ccc3cnccc3c1)CO2 782343526 WQPQYOZJDAWARA-ZDLGFXPLSA-N 315.372 4.510 30 20 DJED Cc1nn(C(C)C)cc1/C=C\C(=O)c1ccc2cc(O)ccc2c1 798370510 OVNCARWITNNUNC-CLFYSBASSA-N 320.392 4.527 30 20 DJED CC(=NNc1nccnc1C1CCC1)c1cc2ccccc2s1 807992342 GFZHPWDDLSZVHD-UHFFFAOYSA-N 322.437 4.795 30 20 DJED C#Cc1ccc(CN[C@H](CC(F)(F)F)c2ccccc2C)cc1 809655428 KHAPYJAYTWHXML-GOSISDBHSA-N 317.354 4.760 30 20 DJED COCc1ccccc1/C=C(C)/C=C1\Cc2ccccc2C1=O 814188024 UXAKWYVQTVKLMW-RRRJGDELSA-N 304.389 4.602 30 20 DJED Cc1c(C(=O)/C=C/c2ccccc2Cl)cnn1-c1ccccc1 818253812 YBGVAPNOGUJKCH-VAWYXSNFSA-N 322.795 4.730 30 20 DJED CCCCCCCCC(=O)Nc1ccc(NC(C)=O)c(Cl)c1 886880463 QGJRGEGALDFUDW-UHFFFAOYSA-N 324.852 4.988 30 20 DJED CCC(=O)Nc1ccc(C)c(N[C@H](CC)c2cccc(C#N)c2)c1 902896996 DABWFIDZIOLAQC-GOSISDBHSA-N 321.424 4.778 30 20 DJED CC[C@H](N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1cccc(C#N)c1 902954463 VXVLFEOAYCQAQE-QHAWAJNXSA-N 320.436 4.519 30 20 DJED O=C(/C=C/c1c(F)cccc1F)c1ccc(Br)cc1 916134261 CBUBLHZXMQBTTA-CMDGGOBGSA-N 323.136 4.623 30 20 DJED CCCCCCCCC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 920299299 ZTVZCHSDBWIGGE-PKOBYXMFSA-N 317.473 4.726 30 20 DJED CC(C)[C@@H]1C[C@@H](OC(=O)Cc2ccc(C#N)cc2)c2ccccc21 1128531441 WDYNNONICRIYEN-VQTJNVASSA-N 319.404 4.529 30 20 DJED Cc1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c(Cl)c1Cl 1129724567 IOIQYZAWODYGIC-QWRGUYRKSA-N 312.196 4.541 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)CCCc1ccsc1 1129796322 UZZCZTPPTBWSOA-UHFFFAOYSA-N 320.417 4.734 30 20 DJED CC(C)C1CCC(CNc2ccccc2O[C@H](C)C#N)CC1 1178285173 MFCYYXYKCFKOBO-KLAILNCOSA-N 300.446 4.852 30 20 DJED CO[C@@H](CSc1ccc(C#N)cc1F)c1ccc(Cl)cc1 1188823766 WMZZTSPTGUJCFJ-HNNXBMFYSA-N 321.804 4.831 30 20 DJED CC(=O)[C@@](C#N)(CCSc1ccccc1C)c1ccccc1 1458918200 NONQTCCUBYRYOF-IBGZPJMESA-N 309.434 4.528 30 20 DJED CCN(CCCc1ccccc1C)[C@H](C)c1ccc(C#N)cc1 1459354605 USAJOXGIXCIOQC-GOSISDBHSA-N 306.453 4.882 30 20 DJED N#CC1(c2ccccc2)CC(NCc2ccc3sccc3c2)C1 1474559508 CDVVFPLVBBJLHK-UHFFFAOYSA-N 318.445 4.615 30 20 DJED Cc1c([C@H](C)NC(=O)CC2(C#N)CCCCC2)oc2ccccc12 1517975029 KVOOUXANZMKSJZ-HNNXBMFYSA-N 324.424 4.783 30 20 DJED Cc1ccc(-c2ccc(C(=O)Nc3cccc(CC#N)c3)s2)o1 1545047330 IQGIKFUGLXSTNU-UHFFFAOYSA-N 322.389 4.635 30 20 DJED C[C@H]1CC[C@H](C)N(Cc2ccc(-c3ccccc3C#N)cc2)C1 1559560464 LTLRJXCJEQFDFH-IRXDYDNUSA-N 304.437 4.846 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C[C@H](C)c1ccc(F)cc1 1621124462 SOYIAZHOBWDPNF-INIZCTEOSA-N 310.416 4.711 30 20 DJED Cc1cccc(C2=CCN(c3nc(C)c(C#N)cc3Cl)CC2)c1 1642505637 HIMUVTHFDWVNDF-UHFFFAOYSA-N 323.827 4.517 30 20 DJED N#Cc1cccc(CN2CCCCc3c(Cl)cccc32)c1F 1645220185 GLSOJNBQSPUCEQ-UHFFFAOYSA-N 314.791 4.694 30 20 DJED Cc1cc(N[C@@H](C)c2nc(-c3ccccc3)cs2)ncc1C#N 1650729975 WFHNZNVLLVXVKL-ZDUSSCGKSA-N 320.421 4.558 30 20 DJED Cc1c(Cl)cnc(NCCc2ccc3ccccc3c2)c1C#N 1651362933 SUIOSFIGTWUJAR-UHFFFAOYSA-N 321.811 4.723 30 20 DJED C[C@@H](Sc1ccncc1C#N)c1cccc(C(F)(F)F)c1 1652078996 FJFCXEOVNCXBQP-SNVBAGLBSA-N 308.328 4.825 30 20 DJED C=C(Cl)CN[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 1658292223 JMAFQFMECXPANO-OCCSQVGLSA-N 303.755 4.684 30 20 DJED CCc1cc(Br)ccc1N[C@@H]1CCC[C@H](C#N)C1 1659434026 APHKTCDNSVKKMN-SMDDNHRTSA-N 307.235 4.506 30 20 DJED O=C(O)c1cc(NN=C2CCC3(CCCCC3)CC2)ccc1F 1776062743 IFASQNFKARHFNR-UHFFFAOYSA-N 318.392 4.816 30 20 DJED CCCCc1ccc(C(=O)/C=C/c2ccc(C)c(C(=O)O)c2)cc1 1776805939 GWMGBUJNLDPDEA-JLHYYAGUSA-N 322.404 4.932 30 20 DJED N#Cc1ccc(Oc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 18055052 LYUSJVXJZYGWNW-UHFFFAOYSA-N 309.108 4.566 30 20 DJED O=C1/C(=C/c2cccs2)CSC/C1=C\c1cccs1 32798798 DYSNRSHLELANET-MKICQXMISA-N 304.461 4.593 30 20 DJED O=C(/C=C\c1cccnc1)c1ccccc1OCc1ccccc1 33750067 SCRGISMWGLTKEM-SEYXRHQNSA-N 315.372 4.557 30 20 DJED Cc1ccc2oc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)cc2c1 80450102 ZSJAGILTBIGIPP-CYBMUJFWSA-N 324.405 4.811 30 20 DJED O=C(/C=C/c1cncs1)c1cc2c(ccc3ccccc32)o1 129968498 QKNLOLNTUJZSLP-VOTSOKGWSA-N 305.358 4.939 30 20 DJED N#CCSCCCN[C@@H](CCc1ccccc1)c1ccccc1 180390871 OCJGNRLFYBHJIK-FQEVSTJZSA-N 324.493 4.597 30 20 DJED N#CCC[C@@H](N[C@H]1CCCc2cc(F)ccc21)c1ccccc1 183370335 OLLGHNJJLGCENY-UXHICEINSA-N 308.400 4.838 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1oc2c(C)cccc2c1C 189905988 QZRVMASNCJTXGW-UHFFFAOYSA-N 312.413 4.594 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccoc1Cl 192308421 QXYONDQVCYBDKK-SNVBAGLBSA-N 320.801 4.580 30 20 DJED CC(C)Sc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 193488469 BILJMNXERUPQSR-UHFFFAOYSA-N 310.422 4.505 30 20 DJED CC(C)n1cc(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)cn1 214915036 MUAHJPIOPCPKJV-XQRVVYSFSA-N 309.196 4.667 30 20 DJED CC(C)(C#N)CCCCSc1ccc2c(c1)OCCCO2 232525713 MAAWXAIRJGZAIX-UHFFFAOYSA-N 305.443 4.660 30 20 DJED CC(C)(C#N)CCCNc1cccc(Cl)c1Br 232533241 BITYYSGTSCAKLR-UHFFFAOYSA-N 315.642 4.844 30 20 DJED C[C@H](C(=O)Nc1sc(C(C)(C)C)cc1C#N)c1ccsc1 411009921 ZUAOSNISQNOKDT-JTQLQIEISA-N 318.467 4.721 30 20 DJED Cc1cccc(NC(=O)Nc2ccc(OC(C)C)c(C#N)c2)c1C 435553582 HIWHQNRSBHOFJO-UHFFFAOYSA-N 323.396 4.606 30 20 DJED N#Cc1ccc(/C=C/c2nc(-c3cc4ccccc4o3)no2)cc1 445660748 WHTGPWZDXJMEOB-MDZDMXLPSA-N 313.316 4.525 30 20 DJED C[C@H](C(=O)Nc1ccc(C#N)c(F)c1)c1ccc2ccccc2c1 464639310 TXZHFJZCEWYHGE-ZDUSSCGKSA-N 318.351 4.593 30 20 DJED C=CCC1(C(=O)Nc2cc(Cl)ccc2OC(C)C)CCC1 464662221 GPGJKBIMVLTTGU-UHFFFAOYSA-N 307.821 4.812 30 20 DJED Cc1cccc(C)c1[C@H](C)NC(=O)C[C@@H](CC#N)c1ccccc1 476689537 MHGGGEJSHLSZQA-PKOBYXMFSA-N 320.436 4.568 30 20 DJED CCC(C)(C)CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 505540612 QAHWZBKVISKKFL-GFCCVEGCSA-N 313.228 4.501 30 20 DJED N#Cc1cc(NCc2cccc(-c3cccnc3)c2)ccc1Cl 508650373 TVWAAPQLQOPPFZ-UHFFFAOYSA-N 319.795 4.886 30 20 DJED C=CCCCc1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)no1 512023700 KAYSTSMEBAIIJL-ZDUSSCGKSA-N 314.282 4.656 30 20 DJED CC(C)(C#N)CCCN[C@H](c1cccc(F)c1)C1CCCC1 540429583 FMLUXHPRRCKGHI-SFHVURJKSA-N 302.437 4.977 30 20 DJED C[C@H](C#N)CNCc1ccc(-c2ccc(Cl)c(Cl)c2)o1 541763270 GTYHEVGJUAVHCR-SNVBAGLBSA-N 309.196 4.503 30 20 DJED CC[C@@H](C)Oc1cccc(N[C@H]2CCc3ccc(C#N)cc32)c1 568045128 NNIUROPRPUUBSY-VLIAUNLRSA-N 306.409 4.835 30 20 DJED CC(C)c1ccc2occ(C(=O)NC3(C#N)CCCCC3)c2c1 576851245 JIGNSTJCIGSRHV-UHFFFAOYSA-N 310.397 4.512 30 20 DJED CC(C)c1ccccc1NC(=O)[C@H](C)SCC1(C#N)CCC1 580764410 SHZWHDMJGLYFQU-AWEZNQCLSA-N 316.470 4.564 30 20 DJED Cc1cccc2c(Oc3ccc(C#N)c4ccccc34)ncnc12 590149727 SISJCKDZLABNRP-UHFFFAOYSA-N 311.344 4.755 30 20 DJED C[C@@H]1C[C@@H](CC(=O)N[C@H](C)c2cccc(C#N)c2)CC(C)(C)C1 610360669 CBZRQVSYYAKGBT-INMHGKMJSA-N 312.457 4.588 30 20 DJED C[C@@H](CC(=O)N[C@H](CCC#N)c1ccccc1)CC(C)(C)C 610976272 HHHWNJXMFPBBEU-DOTOQJQBSA-N 300.446 4.610 30 20 DJED N#Cc1cc(NCc2c(Cl)ccc3cccnc23)ccc1F 617816804 FNJBQSMNPGCVKO-UHFFFAOYSA-N 311.747 4.511 30 20 DJED C=CCN(C(=O)[C@H]1CC12CCC2)c1nc(-c2ccccc2)cs1 675414744 FJCFGZLAGCHBDP-OAHLLOKOSA-N 324.449 4.519 30 20 DJED CCCCCCCCOCC(=O)Nc1ccc(F)cc1Cl 741508753 WJOPLPJIDVBDAR-UHFFFAOYSA-N 315.816 4.795 30 20 DJED CSc1ccc(C(=O)/C=C/c2coc(-c3ccccc3)n2)cc1 749891512 MAQRFWUXBQRJSQ-FMIVXFBMSA-N 321.401 4.960 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)C(C)=C1CCCC1 753570909 DDTMDFKAHXLFSV-UHFFFAOYSA-N 309.862 4.807 30 20 DJED C=CC[C@@H](N[C@@H]1CC2(CCC2)Oc2ccccc21)c1ccncc1 766020570 QIOOJYMMMAOFSX-RTBURBONSA-N 320.436 4.735 30 20 DJED COc1c(Cl)cc(Cl)cc1/C=C/C(=O)c1cncc(C)c1 767367123 LLRMEWIVEIKOTI-ONEGZZNKSA-N 322.191 4.602 30 20 DJED C[C@H](C(=O)OCCCC(C)(C)C#N)c1ccc2ccccc2c1 784064639 DFCSQWJMTGAHPL-HNNXBMFYSA-N 309.409 4.816 30 20 DJED Cc1c(C(=O)/C=C\c2cccc3ccccc23)cnn1C(C)C 787187639 UGMLUOPVYWFUSK-QXMHVHEDSA-N 304.393 4.822 30 20 DJED O=C1/C(=C\c2ccc(C(F)F)cc2)CCc2c(O)cccc21 794942420 MUQNUHRBLAUWIC-RAXLEYEMSA-N 300.304 4.542 30 20 DJED CSc1ccc(C(=O)/C=C\c2cn(C(C)C)nc2C)cc1F 798370031 AEQASMMOBLMIEU-ALCCZGGFSA-N 318.417 4.530 30 20 DJED Cc1cc(C(=O)/C=C\c2c(C)nn(-c3ccccc3)c2C)oc1C 799896591 JGNASZNRVWFKAC-KHPPLWFESA-N 320.392 4.595 30 20 DJED C=CCC[C@H](Nc1nc(Cl)c(C#N)s1)c1ccccc1 804563680 WILJADLCVGHAMI-LBPRGKRZSA-N 303.818 4.788 30 20 DJED N#Cc1ccc2[nH]c(-c3ccc(SC(F)(F)F)cc3)nc2c1 839436388 RKRVXPOFJICFID-UHFFFAOYSA-N 319.311 4.713 30 20 DJED N#C[C@@H](C(=O)C1CCC=CCC1)c1nc(-c2ccccc2)cs1 873497383 FZYHIITXHCKNJT-INIZCTEOSA-N 322.433 4.733 30 20 DJED C=CCCCCC[C@H](C)N[C@H](C(=O)O)c1cccc(C)c1C 901854193 OFERMMQMCQUCHW-YJBOKZPZSA-N 303.446 4.544 30 20 DJED COc1cc(OC)c(C(=O)/C=C\c2sccc2C)cc1Cl 916154543 KATNVKQIUSBBAC-PLNGDYQASA-N 322.813 4.623 30 20 DJED CCN(C(=O)/C=C(\C)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 917645951 DRCXBLIDDNSRKX-ZQHZRZASSA-N 318.420 4.571 30 20 DJED C/C=C\C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 917876601 MYSJBELQJDRTEH-IHWYPQMZSA-N 312.756 4.519 30 20 DJED C[C@@H](OC(=O)c1cc2ccccc2s1)c1ccc(C#N)cc1 1126638336 VPQPLVUNQABRDI-GFCCVEGCSA-N 307.374 4.691 30 20 DJED CC(C)(CC(=O)N[C@H]1CCc2cc(C#N)ccc21)C1CCCCC1 1128660957 WDIFBTLZMGFCNI-IBGZPJMESA-N 324.468 4.658 30 20 DJED Fc1ccc(F)c(OCc2cc(F)c(C(F)(F)F)cc2F)c1 1165664073 PGBWWCIXGVFWLH-UHFFFAOYSA-N 324.195 4.841 30 20 DJED CC1(C#N)CCC(NCCc2ccc(-c3ccccc3)cc2)CC1 1173584927 SBNZYKSZLANWCB-UHFFFAOYSA-N 318.464 4.958 30 20 DJED CC(C)(CCC#N)CNCC1(c2cccc(Cl)c2)CCC1 1179382198 SMIBUJFZZVOBFJ-UHFFFAOYSA-N 304.865 4.681 30 20 DJED N#CCOc1cc(F)ccc1N[C@@H]1CC[C@H](Cc2ccccc2)C1 1180723742 NYXNABSNAQTBPM-SJLPKXTDSA-N 324.399 4.551 30 20 DJED C[C@H]1CCc2sc(NC(=O)C[C@@H](C)C3CC3)c(C#N)c2[C@@H]1C 1274492176 KIBXFMXPNMQXMY-QJPTWQEYSA-N 316.470 4.680 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)c1cc(F)ccc1Cl 1436723949 JCTYUHBLDLCOCZ-UHFFFAOYSA-N 324.742 4.756 30 20 DJED CC(C)[C@@H]1CCC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 1472688735 IJQGPBLVXDWAJS-YPMHNXCESA-N 311.351 4.599 30 20 DJED CC[C@H](C)[C@H](C(=O)O[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 1524300789 BBEMVNTXVHIYEM-FTRWYGJKSA-N 321.420 4.992 30 20 DJED CCC(CC)CC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 1525012312 YHNBSZYACWIAJU-UHFFFAOYSA-N 323.396 4.510 30 20 DJED N#CC1(CC(=O)Nc2ccc(Cl)c(Cl)c2)CCCCC1 1525273114 JDTOJUCZFVWGDW-UHFFFAOYSA-N 311.212 4.796 30 20 DJED CCCc1ccc(-c2ccc(NC(=O)[C@H](C#N)CC)cc2)cc1 1544328859 KEJRMIGDGNAROW-INIZCTEOSA-N 306.409 4.794 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)C1 1584702983 LTBFRQLFMHQPSY-MWHZBGGUSA-N 319.404 4.569 30 20 DJED CC(C)[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1585707581 AWBPFGSNUABIEH-AWEZNQCLSA-N 308.381 4.581 30 20 DJED Cc1nsc(Sc2ccc(Cl)cc2Cl)c1C#N 1651072910 WKMZBSKLSWDFNG-UHFFFAOYSA-N 301.223 4.781 30 20 DJED Cc1c(C#N)c(S[C@H](C)CCc2ccccc2)nc2c1CCC2 1652517100 ZRRKYJZSARXSLW-CQSZACIVSA-N 322.477 4.864 30 20 DJED CC[C@@H](c1ccccc1)N(CC)Cc1cc(C#N)ccc1OC 1653256090 VLQPYZYFTYPXDD-IBGZPJMESA-N 308.425 4.540 30 20 DJED CN(Cc1cccc(C#N)c1)[C@H]1CCCC[C@H]1c1ccccc1 1653896412 XKXBTRMZFCNHQA-SFTDATJTSA-N 304.437 4.716 30 20 DJED Cc1ccc(CCN(Cc2ccco2)C[C@H](C)CCC#N)cc1 1658828104 OSFGHHNODXPTOY-GOSISDBHSA-N 310.441 4.573 30 20 DJED CC1(C)Sc2ccccc2C(=O)/C1=C/c1ccc(C(=O)O)cc1 1776573263 ZIEMRKHVBPGWJQ-PTNGSMBKSA-N 324.401 4.535 30 20 DJED CCCCCOc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 8125694 SQIGZBWXGQFGEO-UHFFFAOYSA-N 322.408 4.574 30 20 DJED CSCc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 25437994 QQIGHLVRAOHHRC-UHFFFAOYSA-N 324.449 4.603 30 20 DJED N#Cc1cccc(CNc2ccc(C(F)(F)F)cc2Cl)c1 35046119 HALAIMMIJAGGNG-UHFFFAOYSA-N 310.706 4.843 30 20 DJED N#Cc1cccnc1N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 52454172 NBDDCPQTBHREHM-HNNXBMFYSA-N 318.207 4.602 30 20 DJED Cc1nc(CNc2cccc(Oc3ccc(C#N)cc3)c2)oc1C 84492605 DPCGQUOZLNRSMD-UHFFFAOYSA-N 319.364 4.568 30 20 DJED O=C(/C=C\c1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 96766667 SSINJZODGDONSB-HJWRWDBZSA-N 321.254 4.510 30 20 DJED C=C[C@](C)(CC)c1nc(-c2cccnc2Oc2ccccc2)no1 191168147 PZRMCPVAZMVYPV-LJQANCHMSA-N 321.380 4.778 30 20 DJED CC[C@H](Nc1cccc(OCCCC#N)c1)c1ccc(OC)cc1 193906043 AOMKDSKURQYJKE-FQEVSTJZSA-N 324.424 4.941 30 20 DJED CN(C(=O)c1ccc(-c2ccccc2)s1)c1cccc(C#N)c1 194275670 IVYVHHGWPYOMLA-UHFFFAOYSA-N 318.401 4.563 30 20 DJED COc1cc(/C=C\C(=O)c2ccc(C(C)(C)C)cc2)ccc1O 211838530 LIRFDRXAIMPZNB-WZUFQYTHSA-N 310.393 4.594 30 20 DJED Cc1cc(N[C@H](C)c2ccc(C#N)cc2)c2cccc(F)c2n1 301670325 NQRKSCCCBYGXOO-CYBMUJFWSA-N 305.356 4.727 30 20 DJED C[C@H](Nc1ccc(C(F)(F)F)cc1C#N)c1cccc(C#N)c1 301731880 SVIJMRIHVWGTRD-NSHDSACASA-N 315.298 4.622 30 20 DJED C[C@@]12CC3CC(C(=O)Nc4ccc(CC#N)cc4)(C1)C[C@](C)(C3)C2 302660070 VXCJEQPHMBLKBP-SHYIKFMPSA-N 322.452 4.688 30 20 DJED N#Cc1cccc(CN[C@H](CC2CCC2)c2ccccc2)c1F 351105305 VJMNRRQAZXSZEN-LJQANCHMSA-N 308.400 4.718 30 20 DJED CC[C@H](C)CCC(=O)Nc1ccccc1S[C@@H](C)CC#N 352689775 RMRQHNYAOUMXQN-KBPBESRZSA-N 304.459 4.846 30 20 DJED N#Cc1ccc(CN[C@@H]2CCc3c(Cl)cc(Cl)cc32)s1 421207359 WEOVAGKMRMAUAI-OAHLLOKOSA-N 323.248 4.704 30 20 DJED Cc1ccccc1[C@H](C)CC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425119880 AETQOGDZKCRJJZ-IAGOWNOFSA-N 320.436 4.580 30 20 DJED CCC(CC)n1ccc(CSCc2cc(F)ccc2C#N)n1 433625188 PLBMWCSDMPTYDR-UHFFFAOYSA-N 317.433 4.688 30 20 DJED N#Cc1ccccc1SCc1cc(-c2ccc(F)cc2)no1 439697615 VXEJLRKOPBIBQZ-UHFFFAOYSA-N 310.353 4.645 30 20 DJED CC(C)(C#N)CCCCN1CC=C(c2ccc(F)cc2)CC1 444593147 GBCNVCWQCVALJL-UHFFFAOYSA-N 300.421 4.635 30 20 DJED Cc1cc(CSc2nnc(-c3ccccc3C)o2)ccc1C#N 447301933 NLQSEQHXZYKEAM-UHFFFAOYSA-N 321.405 4.517 30 20 DJED C=CC[C@@H](CC)NC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 466326499 SHJRQGVUZDPCGK-HZPDHXFCSA-N 306.837 4.541 30 20 DJED C=CCCCC(=O)N(CCc1ccc(C)cc1)Cc1ccco1 479914521 SZRRSJKKZSIHBR-UHFFFAOYSA-N 311.425 4.516 30 20 DJED N#Cc1cc(F)ccc1CSCc1cc(-c2ccccc2)on1 488456768 IGJQWGDMFAIECQ-UHFFFAOYSA-N 324.380 4.786 30 20 DJED CC[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)s1 512233801 LJYUNQPVYQYYOP-LBPRGKRZSA-N 319.817 4.546 30 20 DJED CCC(C)(C)N(C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 525947451 VCSBQOOPYKUILS-UHFFFAOYSA-N 321.424 4.562 30 20 DJED N#Cc1nc(NCc2cc(Cl)sc2Cl)ccc1Cl 536614667 DYTMWOWNUZCMSV-UHFFFAOYSA-N 318.616 4.587 30 20 DJED N#Cc1c(NC(=O)c2cccc(C3CCC3)c2)sc2c1CCC2 537300835 LPFJHCCBDMWMBZ-UHFFFAOYSA-N 322.433 4.628 30 20 DJED N#CCCCN[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 538320585 NZZPPQATXUDEKK-CQSZACIVSA-N 316.754 4.703 30 20 DJED N#Cc1cccc(CSCc2nc3ccccc3s2)c1F 539248503 UKILLEGYXVQMRV-UHFFFAOYSA-N 314.410 4.740 30 20 DJED N#Cc1ccccc1CN[C@H](c1cccc(F)c1)C1CCCC1 540434135 ZSRVLQQKMKGFLA-FQEVSTJZSA-N 308.400 4.718 30 20 DJED CCCCN(C(=O)c1ccc(F)c(C#N)c1)[C@H](C)c1ccccc1 570189106 GFEWHXLJDKTPKW-OAHLLOKOSA-N 324.399 4.701 30 20 DJED C=CCC[C@@H](NCc1ccccc1OCC1CC1)c1ccco1 570189402 QTCGTCMROPKACC-GOSISDBHSA-N 311.425 4.866 30 20 DJED N#CCCCCCC(=O)N1CCc2c(-c3ccccc3)cccc21 588164498 YISGTYOLAOGXBR-UHFFFAOYSA-N 318.420 4.717 30 20 DJED C[C@@H](Nc1ccccc1SCCC#N)c1cccc(C#N)c1 600846302 AKEBWSKYQUXJQV-CQSZACIVSA-N 307.422 4.737 30 20 DJED N#Cc1ccccc1SC/C=C\CSc1ccccc1C#N 610206554 JGRWMSFWQHNWBA-WAYWQWQTSA-N 322.458 4.871 30 20 DJED COc1ccccc1[C@H]1CCCCN1CCCC(C)(C)C#N 610447816 FGBCGLYPYYPRTE-QGZVFWFLSA-N 300.446 4.552 30 20 DJED CC(C)n1ncc2cc(N[C@@H](C)c3ccc(C#N)c(F)c3)ccc21 611483068 SHQCFTLRJRSESW-ZDUSSCGKSA-N 322.387 4.801 30 20 DJED C=C(CNC(=O)c1c(C)[nH]c2ccc(Cl)cc12)c1ccccc1 673342367 BASPSXCOVBMNPW-UHFFFAOYSA-N 324.811 4.573 30 20 DJED Cc1ccccc1C(=NNc1cccc2cnccc12)C1CC1 731926549 JWLPSNBUAMBLRA-UHFFFAOYSA-N 301.393 4.769 30 20 DJED CCCCCCCCC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 733258998 OLQZLFGOHITWAI-INIZCTEOSA-N 306.837 4.771 30 20 DJED C[C@H](CC#N)OC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F 733712083 VWCAILCZJUPMFK-LLVKDONJSA-N 317.747 4.605 30 20 DJED Cc1cn2c(C=NNc3cccc4ccccc34)c(C)nc2s1 747060085 GIGVZAXFDIAWDR-UHFFFAOYSA-N 320.421 4.612 30 20 DJED O=C(/C=C\C1=Cc2ccccc2OC1)c1coc2ccccc12 747706428 WKGSNQACZYVNDE-KTKRTIGZSA-N 302.329 4.648 30 20 DJED Cc1cc(C(=O)O[C@H](C#N)C(C)C)sc1-c1ccc(F)cc1 751160239 BAYSXTQLLOEKGK-CQSZACIVSA-N 317.385 4.568 30 20 DJED CCCCCCCS(=O)(=O)[C@H](C)c1ccc(Cl)cc1 764513741 PLSQZNWNPTUTLD-CYBMUJFWSA-N 302.867 4.786 30 20 DJED CCc1ccc(C(=O)/C=C/c2cccc(-c3cccnc3)c2)o1 768490031 LZLBHECPDYFUHC-CSKARUKUSA-N 303.361 4.800 30 20 DJED CC(=NNc1nccnc1C(C)C)c1cccc2ccccc12 773085867 MWIMCIPJLPIQOC-UHFFFAOYSA-N 304.397 4.589 30 20 DJED O=C1/C(=C\c2ccc3cnccc3c2)Cc2ccc(Cl)cc21 782350983 GVDMBMMZBSGNBC-PXNMLYILSA-N 305.764 4.711 30 20 DJED CCc1ccc(/C=C/C(=O)c2ccc(C#N)cc2Cl)s1 788361043 SCVZFEJBGMLOQJ-SOFGYWHQSA-N 301.798 4.732 30 20 DJED CC(C)c1ccc2c(c1)C(=O)/C(=C/c1ccnn1C(C)C)CCO2 794941839 ZOPJHJURTKHOQD-LFIBNONCSA-N 324.424 4.636 30 20 DJED Clc1ccc([C@H]2CCCC2=NNc2cncnc2)cc1Cl 794975995 BENDUGOZAVBSHW-GFCCVEGCSA-N 321.211 4.519 30 20 DJED C=CC[C@H](OC(=O)c1ccc2oc(C)nc2c1)c1ccccc1 796862133 LATBTBIWPVABRX-KRWDZBQOSA-N 307.349 4.610 30 20 DJED Cc1cc(C(=O)/C=C\c2ccc(OCC(F)(F)F)cc2)oc1C 799895564 CSTUBHJJRCLBGN-YVMONPNESA-N 324.298 4.734 30 20 DJED CC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc(Cl)c1O 806141060 FLBSHPDJXCKEJK-YVEFUNNKSA-N 314.816 4.719 30 20 DJED Cc1ccc2c(C)cc(NN=C3CCC[C@H](C#N)C3)nc2c1C 814769459 PGTNDIBTHXHDLB-HNNXBMFYSA-N 306.413 4.642 30 20 DJED O=C1/C(=C/c2cccc(Cl)c2)CCOc2ccc(F)cc21 861415442 BMDBCDREOMIDTE-XYOKQWHBSA-N 302.732 4.528 30 20 DJED CCOc1cccc(/C=N/[C@@H](C)c2cc(C)sc2C)c1O 914702061 VTJJPIGCELGYND-NNLQFVHNSA-N 303.427 4.649 30 20 DJED CCOc1ccc(/C=C2/CCCc3ccccc3C2=O)cc1OC 916134138 DSCLOVIGQRNFJN-LGMDPLHJSA-N 322.404 4.697 30 20 DJED COc1cc(/C=C\C(=O)c2ccc(C)s2)cc(Cl)c1OC 917045420 ZLHOLPLEVCIHPQ-WAYWQWQTSA-N 322.813 4.623 30 20 DJED C=CCCOCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 920816207 JFTICYFOFBYCKR-UHFFFAOYSA-N 309.369 4.633 30 20 DJED Cc1ccc2c(c1)C/C(=C/c1ccccc1Br)C2=O 921263857 JWWZMQBEXDDSQS-ZROIWOOFSA-N 313.194 4.580 30 20 DJED CC(C)[C@@H]1CCc2ccccc2N1Cc1ccc(CC#N)cc1 1168932851 MVFRUKLHKQRGCW-FQEVSTJZSA-N 304.437 4.730 30 20 DJED CC[C@@H]1CCCC[C@@H]1N(C)Cc1ccc(C#N)cc1OC(F)F 1193461413 PDMJFNSWYPRUKG-ZBFHGGJFSA-N 322.399 4.560 30 20 DJED C=CCC[C@@H](NCc1cc2cccc(OC)c2o1)c1ccco1 1321903689 LPXKDNBTROZACD-MRXNPFEDSA-N 311.381 4.832 30 20 DJED CCc1c(C)sc(NC(=O)C(C2CCC2)C2CCC2)c1C#N 1361130160 LTSHVJWWQICJGE-UHFFFAOYSA-N 316.470 4.646 30 20 DJED CCc1c(C)sc(NC(=O)C[C@@H]2CCCC[C@@H]2C)c1C#N 1520400188 QBEDFAFIPLYGAM-AAEUAGOBSA-N 304.459 4.646 30 20 DJED CC(C)C(C)(C)C(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@@H]2C 1523479708 YOSVDSCMACYXRL-NEPJUHHUSA-N 318.486 4.926 30 20 DJED C[C@H]1C[C@@H](C)Cc2c1sc(NC(=O)CC1CCCC1)c2C#N 1544383881 OXKALMUNZUZWDJ-NEPJUHHUSA-N 316.470 4.824 30 20 DJED Cc1ccc(SC2(CNc3ncccc3C#N)CCCC2)cc1 1612070120 PTFUWCFPBGPZHJ-UHFFFAOYSA-N 323.465 4.779 30 20 DJED Cc1ccc(C#N)c(NC[C@@H](c2ccc(Cl)cc2)C(C)C)n1 1612357295 GKQRWKIJYLXDTM-QGZVFWFLSA-N 313.832 4.767 30 20 DJED Cc1nc(Sc2ccc3c(c2)CCCC3)c(Cl)cc1C#N 1640047330 QXXYXKOYNMTGAO-UHFFFAOYSA-N 314.841 4.945 30 20 DJED CC1(C)CC[C@@H](CNCc2ccc(C#N)cc2F)c2ccccc21 1655931172 HOZMSTPWBKDZMK-INIZCTEOSA-N 322.427 4.642 30 20 DJED N#Cc1cc(Cl)ccc1CN1CCC[C@H]1CCc1ccccc1 1657005625 RNUSSNBBNVSBOE-FQEVSTJZSA-N 324.855 4.809 30 20 DJED C[C@H](N[C@H](C)CC(C)(C)C#N)c1cccc(OC(F)(F)F)c1 1658852447 IGQJJSZIKYYRHU-NEPJUHHUSA-N 314.351 4.564 30 20 DJED Cc1cccc(C2(CNCc3ccc(C#N)cc3)CCCCC2)c1 1660957399 IPVIDMRBBYXQAM-UHFFFAOYSA-N 318.464 4.858 30 20 DJED CC[C@H](C)c1ccc(/C=C/C(=O)c2ccc(C(=O)O)s2)cc1 1776698594 NFHMYRKRNDTWRN-LZGFCCKTSA-N 314.406 4.856 30 20 DJED CCCCCCC[C@H](CC(=O)O)NC[C@@H]1C[C@H]1c1ccccc1 1776783390 XJQDSCHUWIDTMC-OTWHNJEPSA-N 317.473 4.584 30 20 DJED Cc1nnc(Oc2ccc(Cl)c3ccccc23)c(C#N)c1C 24052800 RIISSZYHXOAQDV-UHFFFAOYSA-N 309.756 4.564 30 20 DJED C=CCc1cc(/C=C/c2ccc3ccccc3n2)cc(OC)c1O 60217424 FTAHDYNUVOZSRZ-PKNBQFBNSA-N 317.388 4.848 30 20 DJED Cc1ccc(C)c(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1 66156923 MWVMSJSEYUXBKO-UHFFFAOYSA-N 321.424 4.618 30 20 DJED CC(C)(C#N)CCN1CCC[C@H]1c1cccc(Br)c1 157738173 MHYYKLLWQXNVQD-HNNXBMFYSA-N 321.262 4.526 30 20 DJED C[C@H](SCCOc1ccccc1C#N)c1cccc(F)c1 195594922 JATYQJCXEHFTBK-ZDUSSCGKSA-N 301.386 4.571 30 20 DJED CCCCCCC[C@H](CC(=O)O)NCc1cccc(Cl)c1 277482327 WRFYJBFYVDIGNY-MRXNPFEDSA-N 311.853 4.633 30 20 DJED CC[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(C)cc1O 280095489 MSQFJDFTUDWGBY-OALUTQOASA-N 308.425 4.786 30 20 DJED O/C(=N/[C@H]1C[C@H](c2ccccc2)C1)c1coc(C2CCCC2)n1 328740292 IHZVGVPHRMTCDS-WKILWMFISA-N 310.397 4.583 30 20 DJED Cc1coc2ccc(N=C(O)[C@@H](C)/N=C(/O)C3CCCC3)cc12 328781202 HGUIMPWMHCYFFZ-GFCCVEGCSA-N 314.385 4.864 30 20 DJED C[C@@H](/N=C(/O)CCC1CCOCC1)c1ccc2ncsc2c1 330132344 LJOUPTARKWJWST-GFCCVEGCSA-N 318.442 4.521 30 20 DJED CC[C@@H]1C[C@@H](/C(O)=N/Cc2ccc(C3CCC3)cc2)CC(O)=N1 330220945 LDGXSSBIJBOBJP-IAGOWNOFSA-N 314.429 4.556 30 20 DJED C=CCN(CC=C)C(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 437158819 FCQVLTHHZUTPNO-UHFFFAOYSA-N 320.436 4.543 30 20 DJED C=CCN(C(=O)CCc1ccc(OCCC)cc1)c1ccccc1 443811418 OOQMFJUKEIVZCV-UHFFFAOYSA-N 323.436 4.627 30 20 DJED CC(C)c1ccc(CC2CCN(C[C@@H](C#N)CCC#N)CC2)cc1 462458354 UOJZXVQNCDREQG-HXUWFJFHSA-N 323.484 4.508 30 20 DJED C=CCCC1(C(=O)N2CC=C(c3cc(C)cc(C)c3)CC2)CC1 476527249 SNKBRQAXRHOJNG-UHFFFAOYSA-N 309.453 4.666 30 20 DJED Cc1cc(NC(=O)N(CCC#N)CCC(C)C)ccc1C1CC1 481915247 COXINPPHWYBELG-UHFFFAOYSA-N 313.445 4.666 30 20 DJED CCN(CCCCC#N)[C@H](C)Cc1ccccc1C(F)(F)F 483388980 APUJEQVNBLTVQV-CQSZACIVSA-N 312.379 4.652 30 20 DJED C=CCC[C@H](C(=O)N[C@@H](C)c1cccc(OC)c1)c1ccccc1 487685459 HZUPPOXQDDGTTP-JXFKEZNVSA-N 323.436 4.622 30 20 DJED Cc1c(C(=O)N(C)C[C@@H]2CC=CCC2)sc2ccc(C#N)cc12 499198314 YIDFFMSKKHEFPV-CQSZACIVSA-N 324.449 4.510 30 20 DJED N#Cc1c(Cl)cccc1N1CC=C(c2ccc(F)cc2)CC1 514705722 HBDWEHZAMKKFLJ-UHFFFAOYSA-N 312.775 4.644 30 20 DJED C[C@H](Nc1ccn(-c2ccccc2Cl)n1)c1cccc(C#N)c1 527210945 CLSKBJRJXNCMGO-ZDUSSCGKSA-N 322.799 4.570 30 20 DJED C[C@H](N[C@@H]1CCc2cc(F)c(Cl)cc21)c1ccc(C#N)cc1 527850736 KLRNHWXQSDVMPG-BBATYDOGSA-N 314.791 4.689 30 20 DJED C=C[C@H](CC(=O)Nc1ccc2ccccc2n1)c1ccccc1 534639878 VPCFPLFLTIKLBC-OAHLLOKOSA-N 302.377 4.533 30 20 DJED C=C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)c1ccccc1 534651962 IJNMTPFKPVGAQW-INIZCTEOSA-N 313.828 4.658 30 20 DJED C=C[C@H](CC(=O)N(C)Cc1cc2ccccc2o1)c1ccccc1 535374558 MWENMRFOCNCBFL-MRXNPFEDSA-N 319.404 4.751 30 20 DJED Cc1cccc(COc2cccc(NCc3ccc(C#N)o3)c2)c1 536098580 JDRSFBWZOINXOW-UHFFFAOYSA-N 318.376 4.651 30 20 DJED Cc1cccc(C)c1-c1cccc(OC[C@@H](C#N)CCC#N)c1 565572226 YECLBBVEGHVNJP-QGZVFWFLSA-N 304.393 4.793 30 20 DJED Cc1ccc([C@@H]2CCCCN2c2nccc(C#N)c2Cl)cc1 576846661 DOAJVFLXRYOCSK-INIZCTEOSA-N 311.816 4.647 30 20 DJED Cc1ccnc(Oc2cc(NCC3(CC#N)CC3)ccc2C)c1 594704704 DROCJTLQKNDLQT-UHFFFAOYSA-N 307.397 4.597 30 20 DJED N#CC[C@H]1CCCN(C(=O)N(c2ccccc2)c2ccccc2)C1 594802567 QAUHGWZMXJVPMG-QGZVFWFLSA-N 319.408 4.570 30 20 DJED N#Cc1ccc(SCCCOc2cccc3ccccc23)nc1 604117377 UBFMEYLETXPCMQ-UHFFFAOYSA-N 320.417 4.668 30 20 DJED Cc1ccc(-c2ccncc2)cc1N[C@@H](C#N)Cc1ccccc1 608789161 HHQANBOBZLPZGA-HXUWFJFHSA-N 313.404 4.604 30 20 DJED Cc1cc(F)ccc1-c1ccc(/C=C/c2ccc(C#N)cn2)o1 609642239 GDPCYNOBRAFKBY-AATRIKPKSA-N 304.324 4.831 30 20 DJED N#C[C@H](Sc1cc2c(cc1Cl)OCCO2)C1CCCCC1 609648977 PDTFPHDAASBGBQ-INIZCTEOSA-N 323.845 4.676 30 20 DJED Cc1cccc(-c2nnc(S[C@H](C)c3ccc(C#N)cc3)o2)c1 609813507 FIQSGSHRVADGLO-CYBMUJFWSA-N 321.405 4.770 30 20 DJED CCCCOc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 610344939 NSQWPKOENDXLDH-INIZCTEOSA-N 308.425 4.588 30 20 DJED N#CC1(CNCc2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 619535194 GBUQFZKVMHRXTP-UHFFFAOYSA-N 321.207 4.647 30 20 DJED CC(/C=C\C(=O)c1c(Cl)nc2ccccn12)=C/c1ccccc1 737446056 MQYOHLOZDGKKGE-XVTLYKPTSA-N 322.795 4.830 30 20 DJED C#Cc1cccc(NC(=O)c2cccc(N[C@@H](C)C(C)C)c2C)c1 741744671 BPAOEQFCXKLXOO-INIZCTEOSA-N 320.436 4.685 30 20 DJED CCO[C@@H]1C[C@H](/N=C\c2c(O)ccc3ccccc23)C12CCCC2 743044585 MHQXZRWUSXGZHQ-YGHUCJNDSA-N 323.436 4.702 30 20 DJED O=C(/C=C/c1ccc(F)c(F)c1)c1ccc(-c2ccncc2)cc1 745989966 IHLJKXSNCJXACM-KRXBUXKQSA-N 321.326 4.923 30 20 DJED Cc1c([C@H](C)OC(=O)c2cc(C#N)cs2)oc2ccccc12 752180322 GNILCIFWJVJUFC-NSHDSACASA-N 311.362 4.592 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2cccc(OC3CCCC3)c2)s1 762444114 YEFVRTGNSBTEBQ-CSKARUKUSA-N 323.417 4.837 30 20 DJED O=C1/C(=C/c2ccc(Cl)nc2)Cc2cc(Cl)cc(Cl)c21 764431815 GDTRGQWIQWNMEM-XCVCLJGOSA-N 324.594 4.864 30 20 DJED Cc1ccc(CCC=NNc2cc(Cl)ccc2Cl)cn1 774394671 RXPKQUFLNVCFOM-UHFFFAOYSA-N 308.212 4.727 30 20 DJED CC(=NOC1CCOCC1)c1cc2c(ccc3ccccc32)o1 774431826 KHEPQCNEOMKKLM-UHFFFAOYSA-N 309.365 4.506 30 20 DJED FC(F)CON=C1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 799486010 YGRUOUBHIXQPTJ-SNVBAGLBSA-N 307.262 4.611 30 20 DJED C/C(C=NO[C@H]1CCCCO1)=C/c1ccccc1C(F)(F)F 799885601 ZVSLGSXFNTVACY-CQKMEJPXSA-N 313.319 4.638 30 20 DJED CC(C)(C)SCCCSCCCC1(C#N)CCOCC1 865287190 GZRZRINDMOWEST-UHFFFAOYSA-N 315.548 4.742 30 20 DJED N#Cc1cc(-c2ccccc2)sc1NC(=O)C=C1CCCC1 917716501 DETBKSAFJXVLQZ-UHFFFAOYSA-N 308.406 4.726 30 20 DJED CC[C@H](C(=O)N(CCC#N)CCC(C)C)C1CCC(C)CC1 1136680890 XVCLYQUZLNQRPD-ABHNRTSZSA-N 306.494 4.627 30 20 DJED Cc1nc(N[C@@H]2CCC[C@@H]2CCC(C)C)c(Cl)cc1C#N 1162413457 NADBKOQEMVPAJN-CZUORRHYSA-N 305.853 4.932 30 20 DJED CCN(Cc1cccc(C#N)c1)Cc1ccc(Cl)c(Cl)c1 1167116444 QLQFMNLJKCRZNX-UHFFFAOYSA-N 319.235 4.887 30 20 DJED N#Cc1cc(OCC2CCCCCC2)ccc1Br 1190228263 OYIIFTFLTIKUDH-UHFFFAOYSA-N 308.219 4.670 30 20 DJED C[C@H]1C[C@H](Nc2ccc(Oc3ccccc3)c(C#N)c2)C[C@@H](C)O1 1205493088 QJZPHEMOOUVOPY-JLVBRIDZSA-N 322.408 4.718 30 20 DJED CN(CCC(C)(C)C)C(=O)Nc1scc(C(C)(C)C)c1C#N 1205528913 VIVKCNSWPPNCPJ-UHFFFAOYSA-N 321.490 4.817 30 20 DJED CCCCc1ccc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)cc1 1264242748 IAGAAJABKUBNDG-INIZCTEOSA-N 320.436 4.718 30 20 DJED CC(C)Sc1ccccc1NC(=O)CC1(C#N)CCCCC1 1266160088 LQQDQVAEJJORJK-UHFFFAOYSA-N 316.470 4.990 30 20 DJED C[C@@H](CN(C)C(=O)CC1(C#N)CCCCC1)C1CCCCC1 1287659978 IOSGMYPDLKJNIM-INIZCTEOSA-N 304.478 4.525 30 20 DJED Cc1cc(SCc2cccc(OC(F)F)c2)ccc1C#N 1307363162 YJPTZACVNVFPFW-UHFFFAOYSA-N 305.349 4.760 30 20 DJED CCC[C@H](CC)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1460243373 HPAYDHKDUNNYKJ-ZDUSSCGKSA-N 302.418 4.500 30 20 DJED N#Cc1cccc2c1CCN2CCCc1cccc2ccccc12 1460286779 RHNNWVZWKREUPV-UHFFFAOYSA-N 312.416 4.707 30 20 DJED CC(C)c1ccc([C@H](C)CC(=O)O[C@H]2CCC[C@H](C#N)C2)cc1 1460798343 QUXIGEZMFRHWRO-GJYPPUQNSA-N 313.441 4.929 30 20 DJED C[C@H](CC1CCCCC1)C(=O)Nc1ccc(Cl)cc1C#N 1461546221 ALZRVUMUWSCUAU-GFCCVEGCSA-N 304.821 4.757 30 20 DJED C[C@]1(c2ccccc2)CC[C@@H](NCc2ccc(C#N)c(Cl)c2)C1 1462145095 NYBWJJWDMDDVLQ-QUCCMNQESA-N 324.855 4.812 30 20 DJED N#C[C@H](c1ccccc1)[C@H]1CCCN1CCSc1ccccc1 1473180765 PFDOMFQHXHXZFZ-WOJBJXKFSA-N 322.477 4.550 30 20 DJED CC(C)(C)[C@H]1CN(C(=O)Nc2cccc(C#N)c2)c2ccccc21 1475918653 ZNTUZBMFMILLDC-KRWDZBQOSA-N 319.408 4.740 30 20 DJED CC(C)c1ccc2occ(C(=O)Nc3cc(C#N)ccc3F)c2c1 1528048210 WTBDSGOWRHMFRU-UHFFFAOYSA-N 322.339 4.819 30 20 DJED Cc1cc(C(=O)O[C@@H](C)c2cccc(C#N)c2)c(C)cc1Cl 1544187350 CKLIJJKMQYQHMN-ZDUSSCGKSA-N 313.784 4.747 30 20 DJED Cc1cccc2c(C(=O)O[C@H](C)c3cccc(C#N)c3)coc12 1544194430 WMRLEEGBRYRNCA-CYBMUJFWSA-N 305.333 4.531 30 20 DJED Cc1ccc(C)c(-n2ccnc2SCc2cccc(C#N)c2)c1 1559340995 YSXBSEAVVVKOOH-UHFFFAOYSA-N 319.433 4.653 30 20 DJED C[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2C#N)[C@@H]1C 1559617721 NKDSBHQOEACHOW-OLZOCXBDSA-N 312.413 4.587 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc2occc2c1 1560638508 FMRVYVGMIHPSMU-UHFFFAOYSA-N 304.393 4.715 30 20 DJED N#C[C@@H]1CCC[C@H](OC(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)C1 1584702985 LTBFRQLFMHQPSY-NVRFMJDISA-N 319.404 4.569 30 20 DJED CCOc1ccc(Cl)c(NCc2ccc(C#N)c(C)c2)c1 1620945898 ZNTNIGBLINAMAG-UHFFFAOYSA-N 300.789 4.531 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCCC[C@H]1CC 1629454587 ANQCFTNBCAVSOX-HZPDHXFCSA-N 313.445 4.535 30 20 DJED COc1ccc(C)cc1CS[C@@H](C#N)CCc1ccccc1 1641006230 WFGOYEJIYKYGJM-GOSISDBHSA-N 311.450 4.762 30 20 DJED C[C@H](Cc1ccc2ccccc2n1)Sc1ccccc1C#N 1643710036 PICURXGAULOOEA-CQSZACIVSA-N 304.418 4.830 30 20 DJED C[C@H](Nc1nc(C#N)c(Cl)s1)c1cccc(C2CC2)c1 1651098610 GGCGLBXSCUKHHR-VIFPVBQESA-N 303.818 4.719 30 20 DJED CC1(C)CN(Cc2ccc(Cl)cc2C#N)Cc2ccccc21 1653147400 GUDGJGPSPKMKME-UHFFFAOYSA-N 310.828 4.505 30 20 DJED Cc1ccc2c(c1)[C@H](NC1CC(C#N)(c3ccccc3)C1)CCC2 1658163359 NPTNUSHAFGNWNH-NJEKYYFSSA-N 316.448 4.586 30 20 DJED C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc2ccccc2c1 24034454 QTEOQUZOEXDYMH-HXUWFJFHSA-N 314.388 4.592 30 20 DJED COc1cccc2cc(C(=O)/C=C/c3cc(F)ccc3F)oc12 59269914 ZPBSOSSKUQYRIO-VMPITWQZSA-N 314.287 4.616 30 20 DJED Cc1cc(C)c(C#N)c(S[C@H](C)c2ccc(F)cc2F)n1 59926833 VPYSCWWROONHDY-LLVKDONJSA-N 304.365 4.702 30 20 DJED C=CCC[C@@H](N[C@H](C)c1nc(-c2ccncc2)cs1)C1CC1 90045748 FWSLNNVJNWLEHP-CZUORRHYSA-N 313.470 4.601 30 20 DJED C=CCC(CC=C)C(=O)Nc1ccccc1SC[C@H](C)C#N 131861528 HNNKIORWMSMFDH-CQSZACIVSA-N 314.454 4.645 30 20 DJED CCc1cc(C#N)c(NC(=O)CCCc2ccc(C)s2)s1 175673322 CEVNTUGCIWUAAX-UHFFFAOYSA-N 318.467 4.514 30 20 DJED C[C@@H](NCCCSCC#N)c1ccc(Cl)c2ccccc12 185379493 BKOBCROEJLDMFG-CYBMUJFWSA-N 318.873 4.791 30 20 DJED CC(C)(C#N)CCCCOc1ccc(Br)cc1F 232519647 OMIDWHNHCRRMKO-UHFFFAOYSA-N 314.198 4.687 30 20 DJED COc1ccccc1C=NN=C1c2ccccc2-c2ccccc21 254045128 DTPXFXDZNYDOOL-UHFFFAOYSA-N 312.372 4.547 30 20 DJED N#Cc1cc(C(F)(F)F)ccc1NCc1cc2ccccc2[nH]1 301622008 NPULIBQAFSYEST-UHFFFAOYSA-N 315.298 4.670 30 20 DJED CCCCCCCCC(=O)Nc1ccccc1-c1nnc(C)o1 368752426 IWUUOIAGEINXOY-UHFFFAOYSA-N 315.417 4.734 30 20 DJED CC(C)[C@H](Nc1ncc(C#N)cc1Cl)c1ccc(F)cc1 409540050 XFCXZQNTVJINRR-HNNXBMFYSA-N 303.768 4.555 30 20 DJED CC(C)[C@@H](NCC1(CC#N)CC1)c1ccc(C(F)(F)F)cc1 430750083 YGBCODYJFONULV-OAHLLOKOSA-N 310.363 4.686 30 20 DJED C[C@H](NCC1(CC#N)CC1)c1ccc(OCc2ccccc2)cc1 430757250 VJBKDRZYBFHHGJ-KRWDZBQOSA-N 320.436 4.610 30 20 DJED C[C@H](c1ccc(Cl)cc1)[S@@](=O)CCCCC(C)(C)C#N 435424991 XWQAIEACRBYYTI-XCLFUZPHSA-N 311.878 4.870 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1cc2[nH]ccc2cc1C 444981848 GZFWDTPFTYVAOC-UHFFFAOYSA-N 319.408 4.696 30 20 DJED CCSc1ccc(-c2noc(C3(C#N)CCCCC3)n2)cc1 445732505 KRYNHXQTZWNMIN-UHFFFAOYSA-N 313.426 4.574 30 20 DJED C=CCCCC[C@@H](C)N[C@@H](C)c1nc(-c2ccncc2)cs1 449221807 HHYBBVJCAOYXSC-CABCVRRESA-N 315.486 4.991 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)NC1CC(C)(F)C1 455241287 FSZCIHDPIJIFPG-UHFFFAOYSA-N 304.409 4.551 30 20 DJED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1=CC[C@H](C)CC1 455584669 IARPSMCOHUVFNQ-KBPBESRZSA-N 314.454 4.766 30 20 DJED C=CCCN(C)C(=O)N[C@@H](C)c1ccccc1Oc1ccccc1 467013270 MSMJLGRVJNSXDY-INIZCTEOSA-N 324.424 4.757 30 20 DJED C=CCC(CC=C)C(=O)N1CC[C@H](c2ccccc2)[C@@H](CC)C1 467322703 WFYUOJXPUGDBPM-PXNSSMCTSA-N 311.469 4.797 30 20 DJED C=CCCCCCN(C)C(=O)C[C@@H](C)Cc1cccc(F)c1 469672602 CHCBZFDBVPHDTM-INIZCTEOSA-N 305.437 4.599 30 20 DJED CSc1ccccc1CN(C)Cc1ccccc1C(C)(C)C#N 470993477 CFSHHGDQMBXBSV-UHFFFAOYSA-N 324.493 4.842 30 20 DJED CCCOc1ccccc1NC(=O)C[C@H](CC#N)c1ccccc1 474424626 DEQFWNBJWSJJTK-KRWDZBQOSA-N 322.408 4.501 30 20 DJED CC(C)Oc1ccccc1NCc1ccc(Cl)cc1C#N 478347085 ZEQQGDRWPRXDOH-UHFFFAOYSA-N 300.789 4.611 30 20 DJED C=CC[C@@H](C(=O)Nc1ccc(-c2ccc[nH]2)cc1)c1ccccc1 489643774 OLTTXSUEWWGNGP-LJQANCHMSA-N 316.404 4.980 30 20 DJED C=CCCC[C@H](C)NC(=O)N(C)[C@@H](CC)c1cccc(OC)c1 501570447 VJCVOYZQELAKDJ-YJBOKZPZSA-N 318.461 4.533 30 20 DJED C=CC[C@H](C(=O)N1CC[C@H](c2ccccc2F)C1)c1ccccc1 502148730 NNNAMDHRCMYEHE-HKUYNNGSSA-N 323.411 4.502 30 20 DJED C=CCOc1ccc(CNC2(c3ccccc3)CCCC2)cc1 506309421 UEYUTFSAEMNGFI-UHFFFAOYSA-N 307.437 4.811 30 20 DJED Cc1cccc(CN(Cc2ccco2)Cc2ccc(C#N)s2)c1 507206397 ZQCWAQUKESISSP-UHFFFAOYSA-N 322.433 4.724 30 20 DJED CCOc1ccc(C#N)cc1N[C@@H](C)c1ccccc1Cl 516381933 VSAXFTIPYJKORU-LBPRGKRZSA-N 300.789 4.783 30 20 DJED CCCCOc1ccc(NC(=O)Nc2ccc(C#N)cc2)c(C)c1 517728226 QEGVHEAFXNRSPK-UHFFFAOYSA-N 323.396 4.690 30 20 DJED C=CCCCCCN(C)C(=O)c1cc(Cl)cc(Cl)c1 523513608 NWRAYEICCOJALE-UHFFFAOYSA-N 300.229 4.812 30 20 DJED O=C(CCCC(F)(F)F)Nc1cc(C(F)(F)F)ccc1F 537738362 JQAOLCQARCVXLX-UHFFFAOYSA-N 317.204 4.516 30 20 DJED C=CCCC[C@@H](C)N[C@@H](C)c1ccc(OC(F)F)c(OC)c1 540608027 WKWOXWPTYQINAF-OLZOCXBDSA-N 313.388 4.692 30 20 DJED CCCC(C)(C)N(CCCSCC#N)Cc1cccs1 558863508 WFUKESFFNWAQQO-UHFFFAOYSA-N 310.532 4.776 30 20 DJED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)C(C)(C)C)cc1 565011989 KKZMAUFLSUVKHW-UHFFFAOYSA-N 322.408 4.530 30 20 DJED Cc1cc(CNc2ccc(Oc3cccnc3)cc2)ccc1C#N 578814252 XFSNYLAVIWQTDT-UHFFFAOYSA-N 315.376 4.666 30 20 DJED C=CCOCCCc1nc(-c2ccc(-c3ccccc3)cc2)no1 608346031 HHDRFGFAYRHKFX-UHFFFAOYSA-N 320.392 4.539 30 20 DJED C=CCCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 608804947 JQYYOCXEQOVTHF-QGZVFWFLSA-N 324.811 4.900 30 20 DJED N#C[C@H]1CCC[C@H](Nc2ccc(C(F)(F)C(F)(F)F)cc2)C1 618578790 ZUDBBEUCEJQAGN-GWCFXTLKSA-N 318.289 4.835 30 20 DJED Cc1nc(-c2ccc(CCNc3ccc(C#N)cc3)cc2)cs1 619512012 CUIBZTUBFHVWOB-UHFFFAOYSA-N 319.433 4.645 30 20 DJED C=CCCC(=O)N1CCC[C@@]1(C)c1ccc(C(F)(F)F)cc1 636340676 IEZCGKKGOCDHBY-INIZCTEOSA-N 311.347 4.509 30 20 DJED C=CCC(CC=C)C(=O)N1C[C@@H](C)CSc2ccccc21 677189525 CWDINAKZMAGSFN-CQSZACIVSA-N 301.455 4.530 30 20 DJED CC(=NNc1ccc(OC(F)F)cc1)c1ccc(C)cc1C 726430493 ZZQAXUCCTJZFIA-UHFFFAOYSA-N 304.340 4.741 30 20 DJED N#CCOc1ccc(CS[C@H]2CCCc3ccccc32)cc1 731157852 LBZSJFGZTYIIEH-IBGZPJMESA-N 309.434 4.900 30 20 DJED C=CCN(C(=O)/C=C(/C)c1cccc(C(F)(F)F)c1)C(C)C 742633228 LBZGSSILMMBAQB-RAXLEYEMSA-N 311.347 4.532 30 20 DJED CC(C)(C)[C@@H](C#N)OC(=O)c1ccc(-c2ccccc2Cl)o1 753951661 VLRCITSKUKDCDB-OAHLLOKOSA-N 317.772 4.695 30 20 DJED C#CCCCC(=O)Nc1ccc(O[C@@H](C)c2ccccc2)cc1C 757920796 FXTSPKVDTOKGJR-KRWDZBQOSA-N 321.420 4.877 30 20 DJED Fc1ccc(/C=C/C=NNc2cccc3cnccc23)c(F)c1 758110452 WQDYJNJWQXBPBM-UPXXQIIOSA-N 309.319 4.624 30 20 DJED C=C[C@@H](CC(=O)OCCCCC(F)(F)F)c1ccccc1 758908052 NDCLVFGQBQJGIQ-ZDUSSCGKSA-N 300.320 4.622 30 20 DJED Cc1ncccc1/C=C1\CCc2c(sc3ccccc23)C1=O 763101524 PJRLJWLZPYYCJY-SDNWHVSQSA-N 305.402 4.817 30 20 DJED C=CC[C@H](N[C@@H]1CC2(CCC2)Oc2ccccc21)c1ccncc1 766020567 QIOOJYMMMAOFSX-RBUKOAKNSA-N 320.436 4.735 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N1CC[C@H]([C@H]2CCOC2)C1 774819531 FFXTYHZIFYHGIM-FHWLQOOXSA-N 323.521 4.648 30 20 DJED CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1cc(Cl)ccc1O 775491061 YACDSLJVTQUHLY-SJCJKPOMSA-N 314.816 4.719 30 20 DJED Cc1cc(CSc2nnc(-c3ccccc3)s2)ccc1C#N 783139366 BTJUJIHLJQRTLD-UHFFFAOYSA-N 323.446 4.678 30 20 DJED O=C(/C=C/c1cnc(-c2ccco2)s1)c1ccc(F)c(F)c1 788096553 DBAPKEYLBVGKTF-GQCTYLIASA-N 317.316 4.577 30 20 DJED C[C@@H](Nc1cccc(OCC#N)c1)[C@H](C)c1ccc(Cl)cc1 793060363 ASRJHASUZJSAEM-UONOGXRCSA-N 314.816 4.846 30 20 DJED C=CC[C@H](CC)NC(=O)Nc1ccc(N2CCCCCC2)cc1 798495309 WMTBSUFHKYAITF-INIZCTEOSA-N 315.461 4.543 30 20 DJED CC(CC(C)(C)c1c[nH]c2ccccc12)=NO[C@H]1CCCCO1 799481785 AYLJPXVLLLRFNP-SFHVURJKSA-N 314.429 4.755 30 20 DJED Fc1ccc(C(C=NOC2CCC2)c2ccc(F)cc2)cc1 812235966 TUINYTJDKGLNRN-UHFFFAOYSA-N 301.336 4.652 30 20 DJED FC(F)(F)[C@@H]1CCC[C@@H](C=NNc2ccc(Cl)cn2)C1 853435957 VGZZTGGMMZYJIZ-NXEZZACHSA-N 305.731 4.501 30 20 DJED CCCC[C@@](C)(F)C(=O)Nc1ccccc1SC[C@@H](C)C#N 857585929 JDDIFHBSNGWCCO-SUMWQHHRSA-N 322.449 4.795 30 20 DJED N#Cc1cccc(NCc2cc(Cl)cc(Br)c2)c1 863997007 OBFNBJFKGPFZAA-UHFFFAOYSA-N 321.605 4.586 30 20 DJED CC(=NNc1cc(Cl)ccc1F)c1c(C)nn(C(C)C)c1C 872418492 SCEOGLYVGJETOH-UHFFFAOYSA-N 322.815 4.709 30 20 DJED C[C@@H](SCc1cc(C#N)ccn1)c1ccc(OC(F)F)cc1 901765685 HWRWHYDRYJIQJP-LLVKDONJSA-N 320.364 4.549 30 20 DJED C=C[C@H](Cc1nc(-c2ccc(F)c(C)c2)no1)c1ccccc1 904398862 XRVAGOFUEVUBCD-CQSZACIVSA-N 308.356 4.696 30 20 DJED C=CCN(C(=O)Nc1c(CC)ccc(Cl)c1CC)C(C)C 916707516 ORXXCTKMHSAIIX-UHFFFAOYSA-N 308.853 4.893 30 20 DJED COc1ccc(C(=O)/C=C/c2ccc(Cl)c(F)c2)cc1F 921265702 PZQSLFURBNKKJH-ZZXKWVIFSA-N 308.711 4.523 30 20 DJED CC(C)(C)Oc1ccc(NC(=O)C2(C)CCCCC2)cc1C#N 1129203718 SMUFVEJZGFBNSY-UHFFFAOYSA-N 314.429 4.644 30 20 DJED CCCCN(CCOc1ccccc1C#N)[C@H]1CCC[C@@H](C)C1 1170679369 CIWNNPXLYWAPGX-MJGOQNOKSA-N 314.473 4.618 30 20 DJED N#Cc1ccc(NC(=O)N[C@H](CC2CCC2)c2ccccc2)cc1 1184782219 MTNKZRSIXLYYLZ-LJQANCHMSA-N 319.408 4.611 30 20 DJED N#Cc1cnc2c(Cl)cccc2c1NC[C@@H]1C[C@H]2CC[C@H]1C2 1186112478 MPPYTXUDJYGJJW-AVGNSLFASA-N 311.816 4.608 30 20 DJED C[C@@H](C#N)CN(C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 1307446569 SIWGHMLSPVOJTD-UGSOOPFHSA-N 316.807 4.660 30 20 DJED CCCC[C@H](CC)CC(=O)N(C)c1cc(Cl)ccc1C#N 1355283304 BXYRSQCTYXUACT-ZDUSSCGKSA-N 306.837 4.781 30 20 DJED Cc1cc(C#N)ccc1CN1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C 1459772995 FEOHQSGJRITZHN-GJZGRUSLSA-N 308.400 4.514 30 20 DJED CCOc1ccc(C#N)cc1NCc1cccc(SCC)c1 1461562551 AFSYTUQMSYHYAG-UHFFFAOYSA-N 312.438 4.681 30 20 DJED COc1cc(C#N)ccc1COc1c(Cl)ccc2ccccc12 1473073131 YVWBOAOBASBPOZ-UHFFFAOYSA-N 323.779 4.952 30 20 DJED CC(C)CN(CCO[C@@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 1473247204 QYKYREKULKLARA-YLJYHZDGSA-N 314.473 4.616 30 20 DJED C[C@H](CC(C)(C)C)NC(=O)Nc1scc(C(C)(C)C)c1C#N 1476647582 VCQPGUCTPISHDQ-LLVKDONJSA-N 321.490 4.863 30 20 DJED N#Cc1cc2ccccc2cc1NC(=O)c1ccc(C2CC2)cc1 1525266596 VVPZFGGQBKNOES-UHFFFAOYSA-N 312.372 4.841 30 20 DJED N#Cc1ccsc1C(=O)NCc1ccc(C2CCCCC2)cc1 1526875549 GLUJNHVSCJAMPA-UHFFFAOYSA-N 324.449 4.597 30 20 DJED CC(C)c1ccc([C@H]2CCCCN2c2ncc(C#N)cc2F)cc1 1559157697 SXOLFMQCWOPBSC-LJQANCHMSA-N 323.415 4.947 30 20 DJED CCC(CC)CN(CCC#N)C[C@H](OC)c1ccc(Cl)cc1 1559578633 ONAGDZBNNNLUBQ-SFHVURJKSA-N 322.880 4.679 30 20 DJED N#Cc1csc(CN[C@@H]2CCCC[C@@H]2Cc2ccccc2)c1 1560311040 GQUFEKVJOSRWKO-IEBWSBKVSA-N 310.466 4.511 30 20 DJED CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCSc3ccccc32)n1 1611739806 LVIKUDPARFJEFG-OAHLLOKOSA-N 323.465 4.900 30 20 DJED CCCN(CCCc1ccc(C)cc1)Cc1ccc(C#N)cc1 1615170062 WJBUBINSRHGKCF-UHFFFAOYSA-N 306.453 4.712 30 20 DJED COc1ccc(C)c2c1N(CCC1(C#N)CCCCC1)CCC2 1616120670 HQADRPPMMPPIHN-UHFFFAOYSA-N 312.457 4.620 30 20 DJED CN(Cc1ccc(C#N)s1)[C@@H]1CCCC[C@@H]1c1ccccc1 1646189934 JKMSILRYZQLUPA-RTBURBONSA-N 310.466 4.778 30 20 DJED C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C1CCOCC1 1656284685 KHZHUNONDDQYTJ-AWEZNQCLSA-N 324.449 4.527 30 20 DJED Cc1cc(C)cc(C2=CCN(Cc3ccc(C#N)c(C)c3)CC2)c1 1657728288 VDAZAIIVPYFQLF-UHFFFAOYSA-N 316.448 4.773 30 20 DJED Cc1cc(C#N)ccc1CN1CC2(CCCC2)[C@@H]1c1ccccc1 1658898394 NLXFDTAEIDOMBZ-NRFANRHFSA-N 316.448 4.984 30 20 DJED N#Cc1cc(N[C@H]2C[C@@H]3CCC[C@@H]32)ccc1Oc1ccccc1 1664415073 UBPPMWHQZZFSMJ-JVPBZIDWSA-N 304.393 4.951 30 20 DJED N#Cc1ccc(COc2cc(Br)ccc2Cl)cc1 70194767 ZVTMCYQEKTWFLQ-UHFFFAOYSA-N 322.589 4.553 30 20 DJED CSc1ccc(C(=O)/C=C/c2cccnc2C)c(Cl)c1 122232283 UTKGZXFGOMGQJL-VMPITWQZSA-N 303.814 4.661 30 20 DJED Cc1cccc(NCc2ccc(O[C@H](C)C#N)cc2)c1Cl 125076858 IYZULARTQKRGCZ-CYBMUJFWSA-N 300.789 4.551 30 20 DJED C=CCCC(=O)CSc1nc(C)c(C)n1C1CCCCC1 134679687 JSGCGRGXPXYATL-UHFFFAOYSA-N 306.475 4.633 30 20 DJED Cc1ccc(N(CCC#N)C(=O)c2cc(C)cc(Cl)c2)cc1 151038225 JHNOSLCJWIRPJL-UHFFFAOYSA-N 312.800 4.517 30 20 DJED Cc1ccc(-c2ncc(/C=C/C(=O)c3cncc(C)c3)s2)cc1 184772448 CNVOFLJWLDNQGM-BQYQJAHWSA-N 320.417 4.718 30 20 DJED CCCCc1ccc(C(=O)/C=C\c2ccc(NC(C)=O)cc2)cc1 211323504 QMCOBCNKNNZASL-GDNBJRDFSA-N 321.420 4.884 30 20 DJED C=CCOc1ccc(CN[C@H]2CCSc3ccccc32)cc1 236684536 QXWNQPMFUHTRIY-SFHVURJKSA-N 311.450 4.578 30 20 DJED Cc1cccc(-c2ccc(CNCc3ccc(C#N)cc3)cc2)c1 237812392 CRLZGAWSGPQTTE-UHFFFAOYSA-N 312.416 4.824 30 20 DJED Cc1cccc(NC2CCN(CCCCC(C)(C)C#N)CC2)c1 277711298 MSJMBTZCLIXHNP-UHFFFAOYSA-N 313.489 4.591 30 20 DJED Cc1c([C@@H](C)Nc2ccc([N+](=O)[O-])c(C#N)c2)oc2ccccc12 302164180 ISVDMHULPIKGJM-GFCCVEGCSA-N 321.336 4.694 30 20 DJED C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](c2ccccc2)CC1 303690164 LVDRMOZUDJDWKI-UTKZUKDTSA-N 304.437 4.889 30 20 DJED CCCC1CCC(N[C@H](C)c2ccc(OCC#N)cc2)CC1 314959047 MKTOTSOFEXCQQM-KLHKWILBSA-N 300.446 4.598 30 20 DJED C=CCOc1ccccc1CN[C@@H](C)c1ccc(SC)cc1 315510261 SVTDQXKPZDCJIW-HNNXBMFYSA-N 313.466 4.824 30 20 DJED N=C(O)C1(C/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CCCC1 329170504 KBCSMGWUCNDBJJ-RRFJBIMHSA-N 306.450 4.645 30 20 DJED CCc1cnccc1[C@@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 360664960 SXCDLQCLPBZOBS-VFNWGFHPSA-N 319.452 4.634 30 20 DJED CC(C)(C#N)CCOc1ccc([N+](=O)[O-])cc1-c1cccs1 410309292 TWVFZQATNLGQJX-UHFFFAOYSA-N 316.382 4.642 30 20 DJED C[C@H](NCc1ccc(C#N)s1)c1ccc(OC(C)(C)C)cc1 421888653 UEBBZGDSEMMEAJ-ZDUSSCGKSA-N 314.454 4.648 30 20 DJED CCOc1ccc([C@H]2CCCN2CCCCC(C)(C)C#N)cc1 444585159 XJHPRLMYUOQFML-LJQANCHMSA-N 314.473 4.942 30 20 DJED C=CC[C@H](C)NC(=O)c1cc(-c2ccc(F)cc2)c(C)s1 446313466 RKXTXZOAEQYYTP-NSHDSACASA-N 303.402 4.557 30 20 DJED CC(C)c1ccc(CNC(=O)c2ccc(C(C)(C)C#N)cc2)cc1 474689775 QVYPUCXUFSKZIH-UHFFFAOYSA-N 320.436 4.541 30 20 DJED C=CCC1(C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)CCC1 480580671 NAOWQBSMYIAZNF-INIZCTEOSA-N 315.432 4.668 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc(Cl)s1 481638844 AWDYRYBOHXFRSH-MRXNPFEDSA-N 316.857 4.830 30 20 DJED CC(C)[C@H](NCc1ccc(C#N)c(F)c1)c1ccccc1Cl 484074785 QIKCCMJKEPIBQV-SFHVURJKSA-N 316.807 4.838 30 20 DJED C=CCN(Cc1ccccc1)C(=O)[C@H](C)c1ccc(Cl)s1 495201992 MCLMIZQRYHHCRD-CYBMUJFWSA-N 319.857 4.720 30 20 DJED CC(C)[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1 503853761 FGKULZSMNFWZHV-BFUOFWGJSA-N 314.379 4.884 30 20 DJED C[C@H]1C[C@H]1c1ccc(CN(Cc2ccc(C#N)s2)C2CC2)o1 506553866 DJONHBLFFOIHSH-YVEFUNNKSA-N 312.438 4.501 30 20 DJED C=C(C)CN(CC)C(=O)[C@H](C)S[C@@H](CC)c1ccccc1 507750081 MJJOGJDYYBCUQY-RDJZCZTQSA-N 305.487 4.684 30 20 DJED CCN(Cc1cnc(C(C)C)s1)[C@H](C)c1ccc(C#N)cc1 508662705 DLPSFJFNKONQGS-CQSZACIVSA-N 313.470 4.721 30 20 DJED CC(C)C[C@@H](C)CC(=O)Nc1sc2c(c1C#N)CCCC2 524089147 BUZKVTAKTUZPNB-GFCCVEGCSA-N 304.459 4.509 30 20 DJED C=CCNc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 540736951 GBHAETXYQPTHRL-UHFFFAOYSA-N 320.314 4.556 30 20 DJED C=CCN(CCC#N)Cc1ccc(-c2ccc(Cl)cc2)o1 566833277 OFZABVMKWNXHIR-UHFFFAOYSA-N 300.789 4.502 30 20 DJED CC(C)(C#N)CCSCCOc1ccccc1C(F)(F)F 577415803 JRXXYYBJOGRTEP-UHFFFAOYSA-N 317.376 4.757 30 20 DJED CC(C)C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 579651837 IBERKTDXHQDQNZ-NHCUHLMSSA-N 304.437 4.923 30 20 DJED Cc1ccc(N[C@H](C#N)Cc2ccccc2)cc1C(F)(F)F 589848205 WQESHXNZJCSBLO-HNNXBMFYSA-N 304.315 4.561 30 20 DJED CC[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cc(C)ccc1OC 618806068 NRSHKKFQBODTKF-PMACEKPBSA-N 320.436 4.604 30 20 DJED C=CCC[C@@H](NC(=O)N1CCC[C@H](C2CC2)C1)c1ccccc1 673559411 ZWRSOXLXQWDXSD-RBUKOAKNSA-N 312.457 4.526 30 20 DJED C=CCC[C@H](NC[C@H]1CCN(c2ccc(Cl)cc2)C1)C1CC1 676639692 SUKIXGCDJSZVEN-BEFAXECRSA-N 318.892 4.501 30 20 DJED O=C1/C(=C/c2cccc(C(F)(F)F)c2)CCc2sccc21 726889445 CKDPRBSRVPNQKD-DHZHZOJOSA-N 308.324 4.979 30 20 DJED CCCCCC[C@](C)(CC)C(=O)N(C)Cc1ccc(C#N)cc1 742528574 OJIOYALMCIICIL-FQEVSTJZSA-N 314.473 4.903 30 20 DJED CC(C)CC(=NNc1oc(C(C)C)nc1C#N)c1cccs1 745613586 JZZDHLUCDAWMOD-UHFFFAOYSA-N 316.430 4.593 30 20 DJED C#CC[C@@H](N[C@H](CC)c1cc(Cl)ccc1O)c1ccccc1 775524184 QTFHWMHSHNWMJH-QZTJIDSGSA-N 313.828 4.851 30 20 DJED C=CCC(C)(C)C(=O)OCc1c(Cl)ccc2cccnc12 796463447 POYUVMGASCCGBM-UHFFFAOYSA-N 303.789 4.534 30 20 DJED CSc1ccc(/C=C2/CCOc3ccc(F)cc3C2=O)s1 798232436 VARCFVHLLFFKRB-NTMALXAHSA-N 320.410 4.658 30 20 DJED C[C@H](SCc1cc(Cl)ccc1OCC#N)c1cccnc1 808359601 DIKDIZFOVLYYQC-LBPRGKRZSA-N 318.829 4.632 30 20 DJED C[C@H]1/C(=C/c2cnc(-c3ccco3)s2)C(=O)c2ccccc21 809156550 LHDRKZPNACAXOP-PDICVPPASA-N 307.374 4.787 30 20 DJED C#Cc1ccc(CN[C@@H](CC)c2ccccc2OC(F)F)cc1 809605265 GIBJBOQNPWWZLT-KRWDZBQOSA-N 315.363 4.510 30 20 DJED C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1nc2ccccc2s1 810218094 FIVZIRJWABKNIO-WBMJQRKESA-N 319.433 4.506 30 20 DJED CC1(C#N)CCC(Nc2ccc(OC(F)F)c(Cl)c2)CC1 823495703 WIDPDCBDQJAPGN-UHFFFAOYSA-N 314.763 4.826 30 20 DJED C[C@@H](Nc1ccc(NC(=O)C#CC(C)(C)C)cc1)c1ccccc1 837382067 BNELDANBLVXCMS-MRXNPFEDSA-N 320.436 4.848 30 20 DJED C[C@H](NCCC1(C#N)CCCCC1)c1nc2ccccc2s1 839552454 IURFJFAXTOAWAX-AWEZNQCLSA-N 313.470 4.811 30 20 DJED N#Cc1cccc(C(=O)OC(c2ccccc2)c2ccccc2)c1 844890493 JUDSYPXBCBOCAF-UHFFFAOYSA-N 313.356 4.505 30 20 DJED O=C(c1ccc(-c2ccccc2)cc1)N(O)Cc1ccc(F)cc1 901379460 ZZVNQUJPGMDZBJ-UHFFFAOYSA-N 321.351 4.524 30 20 DJED C=C(Cl)CSCc1ccc(C(=O)Nc2ccccc2)cc1 913396037 FGUGLPXVYVAIMZ-UHFFFAOYSA-N 317.841 4.925 30 20 DJED COc1cccc2cc(/C=C/C(=O)c3ccc(Cl)cc3)oc12 916135245 NVRDHVIRODOWDC-MDZDMXLPSA-N 312.752 4.991 30 20 DJED Cc1ccccc1C(=O)/C=C\c1ccc(N2CCCCC2)cc1 916155792 ALNRTLAVJUVDQE-KAMYIIQDSA-N 305.421 4.881 30 20 DJED CC(C)c1ccc2c(c1)CCCN2C(=O)[C@@]1(C#N)CC12CCCC2 1124987118 JGXZRNZTYBVCSO-NRFANRHFSA-N 322.452 4.563 30 20 DJED CCNc1ccc(C#N)cc1NC(=O)c1ccc([C@H](C)CC)cc1 1137525999 QRXCGRMLLHNYJW-CQSZACIVSA-N 321.424 4.756 30 20 DJED CCc1cccc2c1N(Cc1ccc(C#N)cc1Cl)CCC2 1167859934 LYSXEXRGNNWCLD-UHFFFAOYSA-N 310.828 4.727 30 20 DJED N#CC[C@H](C(=O)N1CCC[C@@H](C2CCCCC2)C1)c1ccccc1 1167884178 LSXJRUWKOBTTDS-UXHICEINSA-N 324.468 4.503 30 20 DJED CSc1ccccc1CN(C)CCC1(C#N)CCCCC1 1169901800 ZRLSFEXEYDTAOY-UHFFFAOYSA-N 302.487 4.704 30 20 DJED Cc1ccc([C@H]2CCC[C@H]2N(C)Cc2cccc(C#N)c2F)cc1 1191216382 ZMZNSBRTXIXUKM-WOJBJXKFSA-N 322.427 4.774 30 20 DJED CCCc1c(NC2CCCCCC2)cnn1-c1cccc(C#N)c1 1308700249 NZXQARRIGVLHJQ-UHFFFAOYSA-N 322.456 4.831 30 20 DJED CC[C@](C)(C#N)c1nnc([C@H](C)Oc2ccc3ccccc3c2)o1 1349965378 OQVOMRBHEYJLCZ-ORAYPTAESA-N 321.380 4.554 30 20 DJED CCC(CC)(CC)CNc1nccc(Oc2cccc(C#N)c2)n1 1458267854 RJEXBOHWLGNVME-UHFFFAOYSA-N 324.428 4.769 30 20 DJED C[C@@H](C#N)Oc1ccccc1N[C@@H](C)c1nccc2ccccc12 1461989304 QIRIQQWTEJOCLL-GJZGRUSLSA-N 317.392 4.699 30 20 DJED COc1ccc(Cl)c(COc2c(C)cc(Cl)cc2C#N)c1 1473047400 UIXISSPWNJFGGJ-UHFFFAOYSA-N 322.191 4.761 30 20 DJED COc1ccc(CNC[C@H]2CCCC[C@H]2C(C)(C)C)cc1C#N 1473969800 VWMZEIDCVYOTLG-SJLPKXTDSA-N 314.473 4.509 30 20 DJED CCN(Cc1ccccc1Cl)C(=O)CC1(C#N)CCCCC1 1524838709 JDQCAJMNTXIOBD-UHFFFAOYSA-N 318.848 4.553 30 20 DJED Cc1cc(N[C@@H](CC2CCCC2)c2ccccc2)ncc1C#N 1639673358 LRQOEECMRQFDPS-IBGZPJMESA-N 305.425 4.995 30 20 DJED N#Cc1c(Cl)nsc1N[C@H]1CCC[C@H](c2ccccc2)C1 1639883237 TYHMNHYLBQZGMG-STQMWFEESA-N 317.845 4.806 30 20 DJED Cc1cc(C)cc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 1641842209 KIZPDCPRSPSTJK-RTWAWAEBSA-N 304.437 4.575 30 20 DJED N#Cc1cccc(Br)c1Sc1cccc(F)c1 1642374397 ROLWAWZLNANPFJ-UHFFFAOYSA-N 308.175 4.611 30 20 DJED Cc1ccccc1C(Nc1ccc(C#N)cn1)c1ccccc1C 1642546539 ZAKNCPNIRFPHSH-UHFFFAOYSA-N 313.404 4.772 30 20 DJED CCc1ccc([C@@H]2CCN(Cc3ccc(C#N)cc3Cl)C2)cc1 1645905883 IKZZOHYFKNCLCX-GOSISDBHSA-N 324.855 4.764 30 20 DJED Cc1nc(N[C@H](C)c2cc3ccccc3o2)c(Cl)cc1C#N 1651746626 LGCVFKAOTHRCRL-LLVKDONJSA-N 311.772 4.834 30 20 DJED Cc1ccc([C@@H]2CCC[C@@H]2NCc2ccc(C#N)c(Cl)c2)cc1 1652285621 UALNILUGUSNWSR-ICSRJNTNSA-N 324.855 4.946 30 20 DJED CCc1ccc([C@@H]2C[C@@H](C)CCN2CCCC(C)(C)C#N)o1 1652591435 FIQXBYVANYZTGA-RDJZCZTQSA-N 302.462 4.945 30 20 DJED N#Cc1ccc(SCc2cscc2Br)cc1 1652613733 ZXXLMIIYSHIOPJ-UHFFFAOYSA-N 310.241 4.675 30 20 DJED Cc1cccc([C@@H](C)N2CC=C(c3ccc(C#N)cc3)CC2)c1 1653151339 WZGKYWUVERNSSQ-QGZVFWFLSA-N 302.421 4.717 30 20 DJED CC(C)CCN(CCC#N)c1ncc(C(F)(F)F)cc1Cl 1655305691 HQCKEYFBYISUHL-UHFFFAOYSA-N 319.758 4.520 30 20 DJED CC(CC(C)(C)c1ccccc1)=NNc1cccc(C(=O)O)c1C 1776086577 CDZRYRGNFUEEHE-UHFFFAOYSA-N 324.424 4.849 30 20 DJED COc1cccc2cc(C(=O)/C=C/c3cc(C)c(O)c(C)c3)oc12 7716091 GZBAOAANQHTJPZ-BQYQJAHWSA-N 322.360 4.660 30 20 DJED C=CCOc1cccc(NC(=O)N(C)[C@@H](C)c2cccs2)c1 56772309 JGKSZWRAULKYGE-ZDUSSCGKSA-N 316.426 4.538 30 20 DJED N#CCC[C@H](NC1CCC(C(F)(F)F)CC1)c1ccccc1 123614227 XZPXUFDZSVHVCA-GPANFISMSA-N 310.363 4.742 30 20 DJED COc1ccccc1-c1ccc([C@H](C)NCCCCC#N)cc1 178643104 YFDUUBDBCPDBDD-INIZCTEOSA-N 308.425 4.707 30 20 DJED C=C(C)[C@H](N[C@@H](C)c1cc(F)ccc1O)c1ccc(F)c(F)c1 186449870 JUXWBVBLDMWMTE-VOJFVSQTSA-N 321.342 4.778 30 20 DJED CCCCCCCCCC(=O)N1CCC([C@@H]2CCCO2)CC1 187536631 DLHFCELIAVEJTD-SFHVURJKSA-N 309.494 4.545 30 20 DJED C[C@H](NCc1ccccc1OC1CCCC1)c1ccc(C#N)cc1 193690711 MWZNRKIANSECRV-INIZCTEOSA-N 320.436 4.730 30 20 DJED Cc1c(C(=O)N(CC#N)c2ccccc2)oc2c(Cl)cccc12 194667756 XGVOVPCFGXTUBD-UHFFFAOYSA-N 324.767 4.565 30 20 DJED N#CCOc1ccc(C(=O)/C=C\c2ccc3ccccc3c2)cc1 213642554 HKRFAYZBFMBIHA-SDQBBNPISA-N 313.356 4.638 30 20 DJED Cc1cc([C@H](C)Nc2ccc(C#N)c(Br)c2)c(C)o1 228184009 RMEBOQRRQSSXAS-JTQLQIEISA-N 319.202 4.704 30 20 DJED Cc1cccc([C@@H]2CCCN2c2ccc(Cl)c(C#N)n2)c1C 301599391 UJSQNJJVXXUMKM-KRWDZBQOSA-N 311.816 4.565 30 20 DJED CC(C)CCO[C@@H]1CCCC[C@H]1/N=C(/O)c1ccoc1Cl 331248999 NWAMNLCLGCHJHO-ZIAGYGMSSA-N 313.825 4.612 30 20 DJED N#CCc1ccc(CSCc2nc(C3CC3)cs2)cc1 342566866 MJWXPIBLJNKYAZ-UHFFFAOYSA-N 300.452 4.520 30 20 DJED CCC[C@@H](NC(=O)CCCC#N)c1ccc(Cl)c(Cl)c1 360144885 YHSLXSRYFLSMFV-CQSZACIVSA-N 313.228 4.645 30 20 DJED CO[C@H](CSCCCCC(C)(C)C#N)Cc1ccccc1 419533060 NYEKNHCNQINEIF-KRWDZBQOSA-N 305.487 4.697 30 20 DJED N#C[C@H]1CC[C@H](Nc2cccc(Cl)c2SCC(F)F)C1 442851749 GJAJMCSTSVZQHU-UWVGGRQHSA-N 316.804 4.801 30 20 DJED CC[C@@H](N[C@@H](C)CCc1ccc(OC)cc1)c1ccc(C#N)cc1 447541324 LYSBUEVWWLAFFC-HRAATJIYSA-N 322.452 4.629 30 20 DJED Cc1cc(C)cc(Oc2ccc(NC(=O)CCCC#N)cc2)c1 461923720 RAFZPGDYWFSPSU-UHFFFAOYSA-N 308.381 4.728 30 20 DJED Cc1ccc(Nc2nnc(S[C@@H](C)CCC#N)s2)cc1C 470441781 GGYABBSYGKSULZ-LBPRGKRZSA-N 318.471 4.683 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc2[nH]ccc2c1 471280870 ZUFQAMAGZPRXDA-UHFFFAOYSA-N 319.408 4.778 30 20 DJED CCCNc1ccccc1NC(=O)C[C@H](CC#N)c1ccccc1 476648973 OUYZELKYXQJLFD-KRWDZBQOSA-N 321.424 4.535 30 20 DJED C=C(C)CN(C)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 479276418 KPZAUSOIWMTZDZ-UHFFFAOYSA-N 305.830 4.717 30 20 DJED C=CCSc1ccccc1C(=O)Nc1nc(CC)c(C)s1 485748567 ZZFFEVKKJAPHIB-UHFFFAOYSA-N 318.467 4.544 30 20 DJED CSc1ccc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)cc1 499319236 KHKWXKFFCNLKGA-UHFFFAOYSA-N 324.449 4.583 30 20 DJED C=CCC1(C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)CCC1 500646097 PZIFTPALHCCHHD-RTBURBONSA-N 307.437 4.580 30 20 DJED CC[C@](C)(C#N)C(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 510018563 JWFXABBCCFUZTI-MGPUTAFESA-N 321.424 4.738 30 20 DJED C=CCN(C(=O)CCCCc1ccc(OC)cc1)c1ccccc1 512648333 LTCCSDSPQYKXQD-UHFFFAOYSA-N 323.436 4.627 30 20 DJED C=CCC[C@@H](NCc1csc(-c2ccco2)n1)c1ccco1 513678585 PIYZUSVSXMUUMI-CQSZACIVSA-N 314.410 4.793 30 20 DJED Cc1c([C@@H](C)Nc2nc3c(cc2C#N)CCC3)oc2ccccc12 516671608 BSXXJWLLHIIOKU-CYBMUJFWSA-N 317.392 4.670 30 20 DJED C=CCN(Cc1ccccc1)C(=O)C[C@H](C)c1cccc(F)c1 523813351 SQVNUWJYKNIDSS-INIZCTEOSA-N 311.400 4.534 30 20 DJED C=CCN(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CC1 540065849 VUMARPCZGRBNEO-UHFFFAOYSA-N 318.726 4.541 30 20 DJED CC(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2ccccc2CC#N)cc1 549716673 OEHBACITRQZPOA-RTBURBONSA-N 318.420 4.618 30 20 DJED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(Oc2ccccc2)c(F)c1 549927596 BRDDCENVGXIKMV-UXLLHSPISA-N 324.399 4.961 30 20 DJED CCc1ccc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cc1 552969982 BEIUVPGVTBIFRG-VFNWGFHPSA-N 304.437 4.849 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(CCC)CCC 553117846 QHKKQCXXCGJBCC-UHFFFAOYSA-N 319.493 4.585 30 20 DJED CC(C)n1ncc2cc(N[C@H]3CCc4ccc(C#N)cc43)ccc21 589343754 YEYMVPIWEQVVMF-IBGZPJMESA-N 316.408 4.588 30 20 DJED CCCC(C)(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 593163741 ZMCMENFZUQJZEL-UHFFFAOYSA-N 323.396 4.510 30 20 DJED CC(C)Nc1ccccc1NC(=O)C[C@@H](CC#N)c1ccccc1 598235257 RAKURZJKIJKSON-QGZVFWFLSA-N 321.424 4.533 30 20 DJED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)c2ccncc2)n1 609484139 UPTUVAZOULAGOZ-SNVBAGLBSA-N 323.343 4.529 30 20 DJED CC(C)c1ccccc1OC(=O)c1cc2ccccc2n1CC#N 729647960 HKYZQUSNEMEVAR-UHFFFAOYSA-N 318.376 4.507 30 20 DJED C[C@@H](OC(=O)CCc1cc(Cl)cs1)c1cccc(C#N)c1 737332207 WKDUBKXPFRNBSF-LLVKDONJSA-N 319.813 4.510 30 20 DJED C[C@@H]1CN(c2ccc(C#N)cc2C(F)(F)F)Cc2ccccc21 737396119 PFCVNDUJHLBYEO-GFCCVEGCSA-N 316.326 4.701 30 20 DJED COc1ccc(C)cc1/C=C\C(=O)c1ccc(SC)c(F)c1 741847279 MGKFKPPUCHFWCW-ALCCZGGFSA-N 316.397 4.761 30 20 DJED CC(/C=C\C(=O)c1cnn(-c2ccccc2)c1)=C\c1ccccc1 750911351 YYKHAKOWVOTWCB-XGTYQIHLSA-N 314.388 4.715 30 20 DJED COc1ccc(CN[C@H](c2ccccc2C)C(C)(C)C)cc1C#N 751150950 BYKMYHOOYHRCGO-HXUWFJFHSA-N 322.452 4.752 30 20 DJED COc1ccc2cc(C(=O)/C=C\c3ccccc3C#N)ccc2c1 755570022 BXUBSOMRUCNDLI-LUAWRHEFSA-N 313.356 4.616 30 20 DJED O=C(/C=C\c1c(Cl)oc2ccccc12)c1cncc(F)c1 761206176 QSHMLJTYLGIIGS-WAYWQWQTSA-N 301.704 4.516 30 20 DJED Cc1ccc(C=NOCc2nc(-c3ccccc3)cs2)cc1 766684321 LTDVMCNPHRVNBR-UHFFFAOYSA-N 308.406 4.669 30 20 DJED C#CC[C@@H](N[C@H]1CC2(CCC2)Oc2ccccc21)c1ccccc1 773118161 YONVCMKEJMEUBZ-UXHICEINSA-N 317.432 4.787 30 20 DJED CC(C)[C@@H]1C[C@@H](NCc2cc(C#N)ccc2F)c2ccccc21 774253425 PCWVSKHWSZDZEV-AZUAARDMSA-N 308.400 4.672 30 20 DJED Cc1cc(/C=C/C(=O)c2cscn2)ccc1Oc1cccnc1 776193173 WUPZJYDTMMXOKZ-GQCTYLIASA-N 322.389 4.535 30 20 DJED O=C(/C=C\c1scnc1C1CC1)c1ccc2c(c1)CCCC2 782311647 FGEZAUPQHSWFRA-KTKRTIGZSA-N 309.434 4.795 30 20 DJED CCCn1c(C(=O)OCCCC(C)(C)C#N)cc2ccccc21 784895163 YXHUNRZMZLZSLN-UHFFFAOYSA-N 312.413 4.538 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)/C(C)=C\c1ccccc1Cl 787943498 LHDIPGDOGJQDBJ-YPKPFQOOSA-N 318.848 4.674 30 20 DJED COc1ccc2nc(/C=C/C(=O)c3sccc3C)sc2c1 788733085 MXDPHJMKECDPQJ-AATRIKPKSA-N 315.419 4.571 30 20 DJED O=C(/C=C\c1cnc(-c2ccco2)s1)c1ccc(F)cc1F 789131182 WDXCQCMUKYARKX-XQRVVYSFSA-N 317.316 4.577 30 20 DJED Cc1cc(C(=O)/C=C/c2cccc(-c3ccccn3)c2)oc1C 799894724 CZYLLCHBVLAVDD-MDZDMXLPSA-N 303.361 4.855 30 20 DJED C=CCCCCCCCCNC(=O)N1CCC[C@@](C)(OC)CC1 807591212 BNLOBIMIGCPTFN-LJQANCHMSA-N 324.509 4.504 30 20 DJED c1ccc(C[C@@H]2CCC(=NNc3ncnc4sccc34)C2)cc1 814767819 WMJYJEFFVWFXAI-AWEZNQCLSA-N 322.437 4.502 30 20 DJED C=CC[C@@H]1N(C(=O)CC[C@H]2CC2(Cl)Cl)CCCC1(C)C 834547588 JGSIDSRLZRSTQQ-STQMWFEESA-N 318.288 4.554 30 20 DJED COc1ccc2nc(NN=C3CCC(F)(F)CC3)c(C)cc2c1 842530569 XCWVMEMDHONRFC-UHFFFAOYSA-N 319.355 4.529 30 20 DJED Cc1cc2cc(C(=O)/C=C/c3c(C4CC4)cnn3C)oc2cc1C 849247885 YHOSIKQCBGVKLT-VOTSOKGWSA-N 320.392 4.557 30 20 DJED COc1ccccc1C=NOCc1ccc(Cl)c(Cl)c1 849828219 DEBADRFBPLKOFO-UHFFFAOYSA-N 310.180 4.553 30 20 DJED CCN(Cc1c(C)nn(C(C)C)c1C)[C@@H](C)c1ccc(C#N)cc1 891656429 NXSMBLFAYRYVIT-INIZCTEOSA-N 324.472 4.536 30 20 DJED CCOc1ccccc1/C=C\C(=O)c1ccc(OC(F)F)cc1 916137788 XLHVWYLDPPXGRZ-XFXZXTDPSA-N 318.319 4.583 30 20 DJED CCC[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 916627898 CLKKKJZLVVRWMR-DZGCQCFKSA-N 312.438 4.731 30 20 DJED C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)c(F)c1 1117671319 FUTABADGFSFMTR-VOJFVSQTSA-N 314.791 4.689 30 20 DJED C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1csc2ccccc12 1129983472 CZEMXBWODMZCDF-CYBMUJFWSA-N 320.417 4.606 30 20 DJED Cc1ccc(SC[C@H](C)Nc2snc(Cl)c2C#N)cc1 1163083895 LVVWCDSRAJQAMX-JTQLQIEISA-N 323.874 4.569 30 20 DJED CN(c1nc(C#N)c(Cl)s1)C1CCC(C(C)(C)C)CC1 1185072878 CZJZWOZPHJVIDT-UHFFFAOYSA-N 311.882 4.709 30 20 DJED CCN(CCCc1ccc(C)cc1)[C@H](C)c1ccc(C#N)cc1 1307425305 CGVXFXOWUCGIIG-GOSISDBHSA-N 306.453 4.882 30 20 DJED Cc1sc(NC(=O)c2ccc(C)c3ccccc23)c(C#N)c1C 1348418562 MCIDDQRKAKAUNZ-UHFFFAOYSA-N 320.417 4.951 30 20 DJED Cc1ccc(C)c(N(C(=O)CC2(C#N)CCCCC2)C(C)C)c1 1352134791 BZBJREOMZMYRIC-UHFFFAOYSA-N 312.457 4.909 30 20 DJED Cc1cc(NC(=O)c2ccc(C#N)cc2)ccc1-c1ccccc1 1435805298 OYQSEVGLCALRII-UHFFFAOYSA-N 312.372 4.786 30 20 DJED CC1(C)CCC[C@H]1CNc1c(Br)cccc1C#N 1458400353 PQAAYOPBAVQUTG-LBPRGKRZSA-N 307.235 4.559 30 20 DJED N#Cc1cc(F)ccc1CN1C[C@H]2CCCC[C@]21c1ccccc1 1459678320 XYGNSCLGXAIOIK-CTNGQTDRSA-N 320.411 4.599 30 20 DJED C[C@@H]1CCCC[C@@H]1C(=O)Nc1scc(C(C)(C)C)c1C#N 1460578100 ABKUOXFEKHEQDG-NEPJUHHUSA-N 304.459 4.682 30 20 DJED CC(C)CN(CCO[C@@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 1473247196 QYKYREKULKLARA-FXAWDEMLSA-N 314.473 4.616 30 20 DJED Cc1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)c(Cl)c1C 1516898367 JEKHSNMGMCNOBU-CYBMUJFWSA-N 313.784 4.747 30 20 DJED N#CC1(C(=O)NC[C@H]2CCCC[C@@H]2c2ccccc2)CCCCC1 1525817007 UHJMWBHFMFUISH-RTBURBONSA-N 324.468 4.551 30 20 DJED Cc1cc(NC[C@H]2CCCC[C@H]2c2ccccc2)ncc1C#N 1639916458 QWTZZHBLOLRKSW-MJGOQNOKSA-N 305.425 4.648 30 20 DJED CSc1ccc([C@H](C)Nc2ncc(Cl)c(C)c2C#N)cc1 1642631715 QGXSTXGCVNIXIZ-NSHDSACASA-N 317.845 4.810 30 20 DJED CCc1csc(Nc2cccc(Oc3ccc(C#N)cn3)c2)n1 1650781577 IOELDJZMGSNAJP-UHFFFAOYSA-N 322.393 4.508 30 20 DJED CO[C@@H](COc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 1651933919 UAZHLMWRWOGJDQ-INIZCTEOSA-N 322.191 4.632 30 20 DJED COc1ccc(C)cc1CSc1ccc(C#N)cc1Cl 1656378025 BXPDEBNZWXECLL-UHFFFAOYSA-N 303.814 4.821 30 20 DJED Cc1ccc([C@H](C)CN2CCC(c3ccc(C#N)cc3)CC2)cc1 1660792455 IBDGJAYPFQCXMC-GOSISDBHSA-N 318.464 4.850 30 20 DJED Cc1cc(CNC[C@@H]2CCCC[C@@H]2c2ccccc2)ccc1C#N 1662461768 JIPKDFAICOLKHD-FCHUYYIVSA-N 318.464 4.930 30 20 DJED CCC(=NNc1cccc(C(=O)O)c1C)c1ccc(Cl)cc1 1776086119 COMRYVXEXSTIAN-UHFFFAOYSA-N 316.788 4.573 30 20 DJED C=CCN(C(=O)CSc1ccccc1Cl)c1ccccc1 61268208 HIULDRWXSZMSLN-UHFFFAOYSA-N 317.841 4.651 30 20 DJED COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1SC 63866779 XZUJDGANUNIHNR-RMKNXTFCSA-N 312.434 4.930 30 20 DJED Cc1occc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 66789225 CVVMWTXSHKHDFR-UHFFFAOYSA-N 318.332 4.504 30 20 DJED CC[C@@H](C)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 66953493 LYRINRDRDIVZTL-CQSZACIVSA-N 323.396 4.613 30 20 DJED CC(C)(C#N)CCSc1nnc(-c2cccc3ccccc23)o1 78985567 SZJRULCOUFGQCN-UHFFFAOYSA-N 323.421 4.922 30 20 DJED CC(C)C[C@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N 123164696 DNKPFQPWMMFQDX-UONOGXRCSA-N 319.474 4.637 30 20 DJED CCCOc1ccc(NCc2cccc(OCCCC#N)c2)cc1 125554899 LVVRHNHLIGYEKC-UHFFFAOYSA-N 324.424 4.770 30 20 DJED Cc1csc(-c2cccc(NCc3ccc(C#N)s3)c2)n1 125817524 NYQUOICLRHOIRV-UHFFFAOYSA-N 311.435 4.664 30 20 DJED O=C(/C=C/c1cccc(-c2cccnc2)c1)c1ccccc1F 128829873 RIMAZBOQORGQFK-ZHACJKMWSA-N 303.336 4.784 30 20 DJED C[C@H](N[C@@H](C)c1ccc(F)cc1Cl)c1cccc(C#N)c1 178176841 KWSFWVMYQCCHNT-RYUDHWBXSA-N 302.780 4.763 30 20 DJED C=CCCN(C)C(=O)Nc1cccc(CSC(C)C)c1C 276033186 DSQIBFREBVHKGK-UHFFFAOYSA-N 306.475 4.676 30 20 DJED CC(C)(CCC#N)CNc1ncnc2sc3ccccc3c12 340930924 JHAPPPDSPSGZHI-UHFFFAOYSA-N 310.426 4.586 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1cccc2ccsc12 342033899 BZUCLFHENJPFKA-UHFFFAOYSA-N 314.454 4.693 30 20 DJED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 410124815 XWDCQGCDLYUODF-SOUVJXGZSA-N 312.240 4.568 30 20 DJED C=C(C)CNC(=O)Nc1ccccc1O[C@H](C)c1ccccc1 429417400 KTZGPBMBSTUTMI-OAHLLOKOSA-N 310.397 4.524 30 20 DJED N#Cc1ccc(CSCc2nc3ccccc3[nH]2)c(Cl)c1 438859611 DQLDTOORZSDXLQ-UHFFFAOYSA-N 313.813 4.521 30 20 DJED CCCn1ncc(N[C@H](CC)c2ccc(C#N)cc2)c1C1CC1 453284037 IYVMGLICAGTTAL-QGZVFWFLSA-N 308.429 4.605 30 20 DJED C=CC(C)(C)CNC(=O)Nc1ccc(CCC(F)(F)F)cc1 454927033 MOCLNQKHWAXISM-UHFFFAOYSA-N 314.351 4.515 30 20 DJED C[C@@H](c1ccccc1)N(C(=O)Nc1cccc(CC#N)c1)C1CC1 455907264 PGGOYLYGCJFYOZ-HNNXBMFYSA-N 319.408 4.510 30 20 DJED Cc1ccc([C@H]2CCCN2C(=O)Nc2cc(C)cc(C#N)c2)cc1 456000109 LCFPPBBGUHHTDT-LJQANCHMSA-N 319.408 4.544 30 20 DJED CC(C)(C#N)c1ccc(C(=O)N[C@@H]2CCCCC23CCCC3)cc1 462392951 BAVQWUDOJVYDKU-GOSISDBHSA-N 324.468 4.721 30 20 DJED C=CCCN(C)Cc1cc(-c2c(OC)ccc3ccccc23)no1 467290717 RTGYUVHPQFENLS-UHFFFAOYSA-N 322.408 4.511 30 20 DJED Cc1cc(CSCc2ccn(C3CCCC3)n2)ccc1C#N 485572632 MCEQERXAXXUTPP-UHFFFAOYSA-N 311.454 4.612 30 20 DJED C=CCC[C@@H](C(=O)Nc1ccccc1C(C)=O)c1ccccc1 487637517 PNBJMEWACCPIQP-GOSISDBHSA-N 307.393 4.578 30 20 DJED C=C(C)CN(CC)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 488612763 YBMMAAKPRDWLIV-KRWDZBQOSA-N 322.452 4.898 30 20 DJED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(OC(C)C)cc1Cl 488699492 HGNYSQIUVMTWDT-CYBMUJFWSA-N 322.836 4.700 30 20 DJED N#CC1(CN[C@@H](CCCc2ccccc2)c2ccccc2)CC1 539451721 STWQRPIXSAGLEB-FQEVSTJZSA-N 304.437 4.644 30 20 DJED C=CC[C@@H](C)N[C@@H]1CCCc2nc(-c3ccccc3F)sc21 540169596 FKVGSKVAADBNIL-IUODEOHRSA-N 316.445 4.881 30 20 DJED Cc1ccccc1COc1ccc([C@H](C)NCCCC#N)cc1 542499972 HIQIOQAUUUZVPH-KRWDZBQOSA-N 308.425 4.528 30 20 DJED N#Cc1cccc(S[C@@H](c2ccccc2)c2ccc(F)cc2)n1 548964543 JJHOGWSOYWZXFK-IBGZPJMESA-N 320.392 4.974 30 20 DJED CC(C)c1ccccc1NC(=O)[C@@H](C)SCC1(C#N)CCC1 580764411 SHZWHDMJGLYFQU-CQSZACIVSA-N 316.470 4.564 30 20 DJED C=CCC[C@H](N[C@@H](C)c1cc(OC)ncc1F)c1ccccc1 582864144 XOIXKCHXGJPAEL-KSSFIOAISA-N 314.404 4.587 30 20 DJED COc1ccc(-c2ccccc2)cc1CNCC(C)(C)CCC#N 584862453 VFEZCPBBAGGBRN-UHFFFAOYSA-N 322.452 4.782 30 20 DJED CC(C)(C)[C@H](NC(=O)CCCCCC#N)c1ccc(F)cc1 588640261 JVPGAKHEXCZYLM-QGZVFWFLSA-N 304.409 4.503 30 20 DJED N#CC[C@@H]1CCCN(c2ccc3ccc(Cl)c(Cl)c3n2)C1 596328106 GEDSHERRPMAKCE-NSHDSACASA-N 320.223 4.672 30 20 DJED CCCC[C@@H](CC)CC(=O)Nc1cc(C#N)ccc1OCC 609754313 KXDYCAXDYHCDJX-CQSZACIVSA-N 302.418 4.502 30 20 DJED C=CCc1ccc(OCc2cccc3cccnc23)c(OC)c1 685510794 AAZDWJJSBRQPQL-UHFFFAOYSA-N 305.377 4.551 30 20 DJED N#Cc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1F 728179924 KNSVGZGUASRJKA-UHFFFAOYSA-N 316.335 4.617 30 20 DJED C[C@H]1CCCC1=NNc1ncnc2sc(-c3ccccc3)cc12 729141229 YFKYNYNIIJQDAB-LBPRGKRZSA-N 322.437 4.946 30 20 DJED N#Cc1cccc(/C=C2/CCCc3ccc(Cl)cc3C2=O)c1 735232249 KFANTRQBLOOVTE-YBEGLDIGSA-N 307.780 4.814 30 20 DJED CCC(CC)(C(=O)OCC1(CC#N)CC1)c1ccc(Cl)cc1 744277436 KYITYGGQIMAGNH-UHFFFAOYSA-N 319.832 4.635 30 20 DJED O=C(/C=C/c1c(F)cccc1Br)c1cccs1 794928557 YARVJSLHDSSJBK-VOTSOKGWSA-N 311.175 4.546 30 20 DJED N#Cc1ccccc1C(=O)/C=C/c1cccc(-c2ccccn2)c1 799498753 MHXMRLPPZAAKRP-VAWYXSNFSA-N 310.356 4.516 30 20 DJED CCCC[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 800388198 ZFHLZPNIKBALDW-UKRRQHHQSA-N 312.438 4.813 30 20 DJED CC(C)c1c(Cl)ncnc1NN=C1CCC[C@H]1CCCF 800817916 ZKBGHCNTLFIJJC-NSHDSACASA-N 312.820 4.571 30 20 DJED C#Cc1ccccc1CC(=O)Nc1ccccc1-c1ccccc1 811880264 KSFPVPXBATVUAZ-UHFFFAOYSA-N 311.384 4.516 30 20 DJED C[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)c1csc2ccccc12 823147864 DYBGXVBYOOGDGL-DJJJIMSYSA-N 324.449 4.553 30 20 DJED C#Cc1cccc(NC(=O)N[C@H](CC)c2ccc(Cl)cc2)c1 915339964 VVQDKMSJYGHRHT-QGZVFWFLSA-N 312.800 4.594 30 20 DJED CC(=NNc1ncc(Cl)cc1Cl)c1cccc(Cl)c1 916316984 SUEYABGSZXKGTL-UHFFFAOYSA-N 314.603 4.878 30 20 DJED CC(C)c1ccc(CCC(=O)O[C@H](C)c2ccc(C#N)cc2)cc1 1126713399 ZACMEMOSYALQHA-MRXNPFEDSA-N 321.420 4.919 30 20 DJED C[C@H]1CCc2sc(NC(=O)CC3CCCC3)c(C#N)c2[C@H]1C 1129356354 QRDPBVMPPSCTGO-RYUDHWBXSA-N 316.470 4.824 30 20 DJED Cc1ccc(C#N)c(NC2CCC(c3ccc(F)cc3)CC2)n1 1186069993 LMHWFNALRLIXAB-UHFFFAOYSA-N 309.388 4.539 30 20 DJED Cc1nc(N[C@H]2CCC[C@H](C(C)C)CC2)c(Cl)cc1C#N 1186195010 IUZQPZDNYAUDCS-ZFWWWQNUSA-N 305.853 4.932 30 20 DJED C=C(Br)CSc1ccc(C#N)c(C(F)(F)F)c1 1189049177 CNZKLIATDJTBRL-UHFFFAOYSA-N 322.149 4.578 30 20 DJED CO[C@H](CSc1ccc(Cl)cc1C#N)c1ccc(F)cc1 1307310267 KRBYGAUNGVJZQQ-OAHLLOKOSA-N 321.804 4.831 30 20 DJED Cc1ccc(C#N)cc1NCc1ccc(-c2ccccc2F)o1 1308428953 SRRFVOREIVQKOE-UHFFFAOYSA-N 306.340 4.878 30 20 DJED C[C@@H](CCC#N)CNc1cc(Cl)ccc1OCC1CCC1 1308696808 QMGHOGNHALROCI-ZDUSSCGKSA-N 306.837 4.871 30 20 DJED CCCC[C@H](C)N(CCCC)C(=O)Nc1ccc(F)c(C#N)c1 1310250209 PIRDOMFXBKKCRD-AWEZNQCLSA-N 319.424 4.910 30 20 DJED Cc1csc(NC(=O)NC2CC(C)(C)CC(C)(C)C2)c1C#N 1310700894 HZBMYDRUVZXYIA-UHFFFAOYSA-N 319.474 4.655 30 20 DJED Cc1cc(Nc2ccc(Oc3ccccc3C#N)cc2)nc(C)n1 1458135319 WFDHGLCTMYRHSJ-UHFFFAOYSA-N 316.364 4.501 30 20 DJED N#Cc1cccc(SCc2ccc(Br)cc2)c1 1458984120 ZXWRQNGMICTZIE-UHFFFAOYSA-N 304.212 4.613 30 20 DJED CC(C)c1ccc([C@H]2CCCCN2Cc2cc(C#N)ccn2)cc1 1459890848 LZTHVMPTJKQTRC-OAQYLSRUSA-N 319.452 4.804 30 20 DJED C=C(Cl)CN[C@H](CC(C)C)c1cc(Cl)ccc1OC 1473323523 PQDOOOQXBQDXPW-CQSZACIVSA-N 302.245 4.778 30 20 DJED CC1(C)CC(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 1521142696 VAAQKBSJSVYGNJ-UHFFFAOYSA-N 320.392 4.725 30 20 DJED N#Cc1ccc(Cl)cc1OC/C=C\c1ccc(Cl)cc1 1559388124 ZXXFQSOWYDHUTH-UPHRSURJSA-N 304.176 4.957 30 20 DJED CC(C)[C@H]1CCC[C@@H](Nc2c(Br)cccc2C#N)C1 1611953373 XEDVMQVRPYMZQK-GXTWGEPZSA-N 321.262 4.947 30 20 DJED CC(C)CCc1nc(COc2ccc(C#N)cc2Cl)cs1 1640791016 LTZRMUCNAMADBK-UHFFFAOYSA-N 320.845 4.836 30 20 DJED C=C(Br)CN(CCCC)[C@H](C)c1ccc(C)o1 1641609611 PRAPAEBJICVFRL-CYBMUJFWSA-N 300.240 4.660 30 20 DJED CC(C)CCOc1ccc(Nc2ncc(C#N)cc2Cl)cc1 1642316841 GLFMDPBRZMYYON-UHFFFAOYSA-N 315.804 4.775 30 20 DJED Cc1nc(N2C[C@@H](c3ccccc3)c3ccccc32)ccc1C#N 1642645931 YTDZPJWAWSMFPF-IBGZPJMESA-N 311.388 4.545 30 20 DJED C[C@H](CC(C)(C)C#N)Nc1ccc(Cl)cc1OC(F)F 1664162006 WDZGKQLSEVOOLI-SECBINFHSA-N 302.752 4.682 30 20 DJED O=C(O)c1ccccc1NN=C1CC=C(c2ccc(F)cc2)CC1 1776030434 ZIYCDDKLIDZKFT-UHFFFAOYSA-N 324.355 4.559 30 20 DJED O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1F 6337359 JLCBZZYWWPCGCU-FPYGCLRLSA-N 312.237 4.880 30 20 DJED Cc1nc(Oc2ccc(C#N)cc2)c2c3c(sc2n1)CCCC3 15175244 UWWVBMLTEYACRW-UHFFFAOYSA-N 321.405 4.543 30 20 DJED CCN(C(=O)C[C@@H](C)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 45499258 WTBSZFCAOFGMOW-IAGOWNOFSA-N 320.436 4.662 30 20 DJED Cc1nc(SC[C@@H](C#N)CCC#N)n(C2CCCCC2)c1C 66401811 DOPPCMMZOQGSFF-OAHLLOKOSA-N 316.474 4.541 30 20 DJED CSc1ccc(CNc2cccc(OCCCC#N)c2)cc1 79724406 CSIFCGAQWVUCEQ-UHFFFAOYSA-N 312.438 4.703 30 20 DJED CCCC[C@@H](NCc1cccc(C#N)c1)c1ccc(OC)cc1 103172601 WXECSWBMFOQHFW-HXUWFJFHSA-N 308.425 4.588 30 20 DJED Cc1cccc(C)c1NC(=O)CS[C@H](C)c1ccc(C#N)cc1 118446302 JPESBZZODCDHJJ-OAHLLOKOSA-N 324.449 4.608 30 20 DJED CC(C)c1ccc(-c2nnc(SCCCCC#N)o2)cc1 122599346 AQKJTUWBJWJWNS-UHFFFAOYSA-N 301.415 4.646 30 20 DJED CC(C)(C#N)CCCSCc1nnc(-c2ccccc2)s1 127968873 FEXYSJLNFBFDHT-UHFFFAOYSA-N 317.483 4.768 30 20 DJED CC(C)OCc1ccc(N[C@@H](C)c2ccc(OCC#N)cc2)cc1 180172235 VWFVPXFXDBKREB-INIZCTEOSA-N 324.424 4.687 30 20 DJED N#CCc1ccc(NCc2ccc(-c3ccc(F)cc3)o2)cc1 192790499 KMHZDDFUOJAKOH-UHFFFAOYSA-N 306.340 4.764 30 20 DJED CC(C)(C#N)CCCC[S@](=O)c1cc(Cl)ccc1Cl 232526433 VIMCXCOEVQIIAK-IBGZPJMESA-N 318.269 4.821 30 20 DJED C[C@H](SC1CCCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 253492412 PSDIMZPSUNWLOJ-NSHDSACASA-N 322.861 4.605 30 20 DJED CC(C)[C@H](Nc1ncccc1C#N)c1ccc(Cl)cc1F 302044800 JYZMLTFXASQPPA-HNNXBMFYSA-N 303.768 4.555 30 20 DJED O/C(CCc1nc2ccccc2o1)=N/[C@@H]1C[C@H]1C1CCCCC1 329646811 DRELMARLTFCPJF-GOEBONIOSA-N 312.413 4.686 30 20 DJED Cc1n[nH]c(C)c1[C@H](C)/C(O)=N/[C@H]1CCCCC12CCCC2 329723283 FLGQEOLFSQAVBC-WFASDCNBSA-N 303.450 4.590 30 20 DJED CC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(OC)cc1 341760832 MTCVUCOACGAFAZ-SFTDATJTSA-N 320.436 4.685 30 20 DJED Cc1csc([C@@H](C#N)C(=O)c2cscc2-c2ccccc2)n1 355138484 WQPGOIJOGXGUPZ-ZDUSSCGKSA-N 324.430 4.670 30 20 DJED Cc1cc(C#N)cc(NC(=O)N2CCC[C@H]2c2cccc(C)c2)c1 455980436 FZXGWWGWUHBDTC-IBGZPJMESA-N 319.408 4.544 30 20 DJED N#Cc1ccc(/C=C/c2cc(Cl)ccc2Br)nc1 463038863 RQFGIRMDTYNBIC-GORDUTHDSA-N 319.589 4.540 30 20 DJED Cc1ccc(Oc2ccc(-c3noc(CCCC#N)n3)cc2)cc1 463052832 ITSYHLFKOUPWFL-UHFFFAOYSA-N 319.364 4.684 30 20 DJED CCC(CC)(NCCCSCC#N)c1ccc(Cl)cc1 467191481 NCUTYMOIIGBQKS-UHFFFAOYSA-N 310.894 4.592 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1CCC(C)C 473784808 JBBVGVQENYHYQP-QGZVFWFLSA-N 313.445 4.689 30 20 DJED C[C@@H](CC1CCCCC1)NC(=O)C[C@@H](CC#N)c1ccccc1 477095782 HQSVNCVULFGOPT-QFBILLFUSA-N 312.457 4.549 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)NCCC2CCCCC2)cc1 503369750 PGJAPVGTNOXXSQ-UHFFFAOYSA-N 313.445 4.580 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(OCCC)cc1 510766724 UBRNJPJXPKKOCC-UHFFFAOYSA-N 324.424 4.696 30 20 DJED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)c1cccc(F)c1 512531859 KDEYVPIMJMGXEB-MRXNPFEDSA-N 315.436 4.742 30 20 DJED C=CCC[C@@H](NC1CCC(Oc2ccccc2C#N)CC1)C1CC1 537978643 BRAHCCSNHCLUHD-SOAGJPPSSA-N 324.468 4.583 30 20 DJED C[C@@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccc(C#N)c(F)c1 539626468 QBVVFPOLYKOHLW-LLVKDONJSA-N 321.355 4.889 30 20 DJED CC(C)(C)[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 568334030 QIPWJWAMTQQWIZ-PMACEKPBSA-N 304.437 4.923 30 20 DJED Cc1c(F)ccc(Cl)c1NC(=O)c1ccc(Cl)c(C#N)c1 571271915 MOTBJPCODXGNOV-UHFFFAOYSA-N 323.154 4.565 30 20 DJED N#CCCCCSCc1cc(F)c(C(F)(F)F)cc1F 579997097 ZYDDMJWLNOMWNX-UHFFFAOYSA-N 309.303 4.911 30 20 DJED N#CC1(CC(=O)Nc2ccc(Cl)cc2Cl)CCCCC1 596623051 NAEBBFNUAHGZNG-UHFFFAOYSA-N 311.212 4.796 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C)cc1 606538419 HZKVATRSMOWSHZ-UHFFFAOYSA-N 320.845 4.930 30 20 DJED CC[C@H]1CCC[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 610140787 QFBOZXMOZALMOF-YOEHRIQHSA-N 313.445 4.578 30 20 DJED C[C@H]1CCc2ccccc2[C@H]1NCc1ccc(C#N)c(Cl)c1 619754491 AXYZRGIGDAQZJZ-DJJJIMSYSA-N 310.828 4.625 30 20 DJED C=CC[C@@H]1CCCN(C(=O)Nc2cc(SC)ccc2C)C1 666571350 NUNJMZVKOIUDBG-CQSZACIVSA-N 304.459 4.537 30 20 DJED C=CCCCCNC(=O)c1ccccc1SCc1ccco1 681145933 IOCFAWJGOSNLDF-UHFFFAOYSA-N 315.438 4.658 30 20 DJED C=CC[C@H](CC)NC(=O)Cc1coc2ccc3ccccc3c12 684938466 BAGZWOYYGMONER-INIZCTEOSA-N 307.393 4.599 30 20 DJED CCC(CC)CN(CCC#N)C(=S)Nc1c(C)cccc1C 729641994 BIRIICAXDMIMLH-UHFFFAOYSA-N 317.502 4.652 30 20 DJED C=CCOCCCC(=O)Oc1ccc([C@H](C)c2ccccc2)cc1 744109444 UTGSEIRMSJUWRI-QGZVFWFLSA-N 324.420 4.727 30 20 DJED COc1ccc2oc(C(=O)/C=C\c3cc(C#N)cs3)c(C)c2c1 748441058 VSVXFUHYXLXQGJ-PLNGDYQASA-N 323.373 4.579 30 20 DJED O=C1/C(=C\c2ccc(Cl)nc2)CSc2c(Cl)cccc21 749005010 HMOUAEVRGOTCID-POHAHGRESA-N 322.216 4.760 30 20 DJED O=C(/C=C\c1ccc(F)c(Br)c1)c1ccsc1 749102566 URJPIPVDQXTVPT-RQOWECAXSA-N 311.175 4.546 30 20 DJED COc1cc(C)c([C@@H](C)NC2(c3cccc(C#N)c3)CC2)cc1C 753721935 VULHKEJJTBUMMF-MRXNPFEDSA-N 320.436 4.524 30 20 DJED CC1(C)CCC[C@@H](C(=O)[C@H](C#N)c2ccc3ccccc3n2)C1 756518152 DOMRXEKWMFEVQC-HZPDHXFCSA-N 306.409 4.627 30 20 DJED CCC(=NNc1cccc2cnccc12)c1ccc(N(C)C)cc1 759194822 JMSQZJIKOXCHQE-UHFFFAOYSA-N 318.424 4.527 30 20 DJED CCSc1ccccc1C(C)=NNc1nncc2ccccc12 759646983 TVPVAWZRXKDKCZ-UHFFFAOYSA-N 322.437 4.578 30 20 DJED C=CC[C@H](N[C@@H](CC)c1ccc(F)cc1F)c1ccncc1 766018485 IAQOIEVFWZCJQD-ROUUACIJSA-N 302.368 4.718 30 20 DJED O=C1/C(=C/c2ccc(Cl)s2)CCOc2cc(F)ccc21 781555598 LKESPQLUUYIISE-VQHVLOKHSA-N 308.761 4.589 30 20 DJED O=C1/C(=C/c2ccc3cnccc3c2)[C@@H]2CCCc3cccc1c32 782350776 DHQUMPVYTVLVCR-TYJAPOHBSA-N 311.384 4.935 30 20 DJED C#CCOc1ccc([C@H](C)N[C@H](C)c2cc3ccccc3o2)cc1 785571944 XFVQNFDYCYJWIE-JKSUJKDBSA-N 319.404 4.857 30 20 DJED CC(=NNc1cccc(Cl)n1)c1ccccc1C(F)(F)F 793176087 YKOKXKZATVMGLN-UHFFFAOYSA-N 313.710 4.590 30 20 DJED CCCCCCCCCN(C)C(=O)Nc1ccn(C(C)C)n1 797679900 NOKMKIKAJSXHCD-UHFFFAOYSA-N 308.470 4.678 30 20 DJED c1cncc([C@@H]2CCCC(=NNc3nccc4sccc34)C2)c1 799876313 NDEQSWRYUOFXQW-CYBMUJFWSA-N 322.437 4.817 30 20 DJED C#CCC[C@@H](C)OC(=O)c1ccc(C2SCCCS2)cc1 839034133 MVTNVHDIGGXFDY-CYBMUJFWSA-N 320.479 4.514 30 20 DJED CC(C)CC(CC(C)C)C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842943114 PXTYRVYNSJRRFW-OAHLLOKOSA-N 318.486 4.905 30 20 DJED N#Cc1cccc(-c2nnc(CCCCCc3cccs3)o2)c1 1117260931 BUGRUTPXXOWUSG-UHFFFAOYSA-N 323.421 4.625 30 20 DJED CC[C@H](C)c1ccc([C@H](Nc2cc(C#N)nc(C)n2)C(C)C)cc1 1162020898 QZUQWOZNRFYCQP-VBKZILBWSA-N 322.456 4.979 30 20 DJED CCc1ccc2ccccc2c1CNc1cc(C)c(C#N)cn1 1164098823 HQCXMNDFWHTSAZ-UHFFFAOYSA-N 301.393 4.589 30 20 DJED Cc1cccc(C)c1[C@H]1CCCN1Cc1ccc(F)cc1C#N 1171901045 SRNZFILWAXFDGN-LJQANCHMSA-N 308.400 4.651 30 20 DJED C[C@H](NCc1ccc(C#N)c(Cl)c1)[C@@H]1CC2CCC1CC2 1181163581 RXRLPTCVKDRJMI-JDDSVCBVSA-N 302.849 4.516 30 20 DJED CC(C)(NCc1ccc(C#N)cc1Cl)c1ccc(F)cc1F 1308080581 LUNYPEPZVGXNBD-UHFFFAOYSA-N 320.770 4.515 30 20 DJED C=CCC[C@@H](NC1CCC2(CCOCC2)CC1)c1ccco1 1321858810 VPSREIPQAPGLGC-QGZVFWFLSA-N 303.446 4.616 30 20 DJED Cc1c(C#N)cccc1NC(=O)CCc1ccc(C(C)(C)C)cc1 1355858626 SKILSUWACJTIGC-UHFFFAOYSA-N 320.436 4.736 30 20 DJED CC(C)Cc1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)s1 1435363111 KKBGFYYNNWXWLW-CYBMUJFWSA-N 313.422 4.736 30 20 DJED CC[C@@H](Nc1nc(C)c(C#N)cc1Cl)c1cc(F)ccc1F 1458198282 BYICVDOCCXDAPH-OAHLLOKOSA-N 321.758 4.757 30 20 DJED CC(C)(C)c1ccc(C#N)c(NCC2(c3cccc(F)c3)CC2)n1 1472701040 ABPQMOCVTOVXNK-UHFFFAOYSA-N 323.415 4.534 30 20 DJED C=C(Br)CN[C@@H](CC1CCCC1)c1ccccc1 1473333037 QNEYVWJGAPTTQT-INIZCTEOSA-N 308.263 4.806 30 20 DJED N#Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3s2)cc1 1530577537 YMHNPZKIGVOCEO-UHFFFAOYSA-N 312.781 4.679 30 20 DJED CCc1ccc([C@@H](C#N)N(C)C(=O)c2cc(C(C)C)oc2C)cc1 1544888227 RFTORANGHAVUQH-GOSISDBHSA-N 324.424 4.611 30 20 DJED COc1ccc([C@@H](C)S[C@@H](C#N)Cc2ccc(C)cc2)cc1 1559364837 OCFYYYVATMZZRJ-DNVCBOLYSA-N 311.450 4.933 30 20 DJED N#Cc1sc(N2CCC[C@@H]2CC2CCCCC2)nc1Cl 1611889299 MJURRZZFQMSXPQ-GFCCVEGCSA-N 309.866 4.607 30 20 DJED CCCCN(CCc1ccc(C#N)cc1)[C@@H](C)c1ccc(C)o1 1641610376 XWPGTSLYQRXWBU-KRWDZBQOSA-N 310.441 4.866 30 20 DJED CCCCc1ccc([C@H](NCc2cc(C#N)ccn2)C(C)C)cc1 1642329696 YWVCBGUZNDZGLO-OAQYLSRUSA-N 321.468 4.783 30 20 DJED CC(C)(C)c1ccc2c(c1)CCN2Cc1ccc(CC#N)cc1 1642819231 QTOAJQQCGGMESX-UHFFFAOYSA-N 304.437 4.613 30 20 DJED 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N#C[C@@H]1CC[C@@H](N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1 293511822 IBHIDYVDYHJYBK-FRFSOERESA-N 322.374 4.577 30 20 DJED Cc1c([C@@H](C)Nc2ccc(OCC#N)cc2)oc2ccccc12 319818308 JRPIXWJEEKEYJV-CQSZACIVSA-N 306.365 4.817 30 20 DJED Cc1nc(C2(/N=C(/O)C[C@@H]3CCC[C@H](C)C3)CCCCC2)no1 329513909 NZMQBMOUROYJRJ-DZGCQCFKSA-N 319.449 4.710 30 20 DJED CC[C@@H]1OCCC[C@@H]1C(O)=Nc1ncc(-c2ccccc2)s1 330312429 OHTNLHFBFRMDJE-KBPBESRZSA-N 316.426 4.603 30 20 DJED CC(C)c1csc(C/N=C(/O)c2csc(C(C)(C)C)n2)n1 331063629 DMXPRFBFGGGICH-UHFFFAOYSA-N 323.487 4.525 30 20 DJED N#Cc1ccc2c(c1)[C@H](N[C@H]1CCSc3ccc(F)cc31)CC2 353263245 WCISLAQXIDQHDU-MSOLQXFVSA-N 324.424 4.511 30 20 DJED CC[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1c(C)noc1C 360646950 LACOBEOPPNZRDQ-OALUTQOASA-N 323.440 4.672 30 20 DJED CC[C@H](C)Oc1cccc(N[C@@H](C)c2ccc(OCC#N)cc2)c1 391964394 DTWPVJNEQQESIP-HOTGVXAUSA-N 324.424 4.939 30 20 DJED Cc1nc(C(C)(C)C)sc1[C@H](C)NCc1ccc(C#N)s1 421874861 IPVSQHISBQEIJT-JTQLQIEISA-N 319.499 4.533 30 20 DJED CC(C)(C#N)CCCCN1CCC(c2c(F)cccc2F)CC1 444691120 WZIRIKCHVPTYLJ-UHFFFAOYSA-N 320.427 4.864 30 20 DJED CC1(C)CCCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1Cl 452649912 KKCRRZPVAQWEPR-CYBMUJFWSA-N 304.821 4.561 30 20 DJED CCOc1ccc(CN(CCCC(C)(C)C#N)C(C)C)cc1 472429939 IZBZYZDLNLEXNW-UHFFFAOYSA-N 302.462 4.626 30 20 DJED N#CCCCSCc1ccc(OCc2ccc(F)cc2)cc1 479500894 JVTJUEPPUQYUTF-UHFFFAOYSA-N 315.413 4.942 30 20 DJED C=CCCCC(=O)Nc1cc(C)ccc1SCC(F)(F)F 480833122 XKUGDFAERFZOBG-UHFFFAOYSA-N 317.376 4.944 30 20 DJED COc1ccc([C@H](C)N[C@@H]2CCCCc3cc(C#N)ccc32)cc1 481927571 YPBYBYIVBMJCIP-YCRPNKLZSA-N 320.436 4.685 30 20 DJED N#Cc1ccc2c(c1)CCCC[C@H]2NC1(c2cccc(F)c2)CC1 481996788 CFPDXWVKNYVWFR-HXUWFJFHSA-N 320.411 4.744 30 20 DJED Cc1ccc(C)c2c1CCC[C@@H]2N[C@H](C)c1ccc(C#N)cc1 545313193 PBHVIJDRZQJXQD-UZLBHIALSA-N 304.437 4.903 30 20 DJED CC[C@H](CC#N)NCc1ccc(-c2cccc(C(F)(F)F)c2)o1 546579207 KFJMILDAHKJVBT-CQSZACIVSA-N 322.330 4.747 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)CCCC1CC1 589701667 JDCCFLOOHQYUKH-CYBMUJFWSA-N 302.443 4.600 30 20 DJED Cc1c(COC(C)(C)C)cccc1N[C@H](C#N)Cc1ccccc1 610474234 ZYDSHOPZFJCKMI-IBGZPJMESA-N 322.452 4.857 30 20 DJED N#CCC[C@@H](N[C@@H]1CCc2c(F)cc(F)cc21)c1ccccc1 611337002 BRBCQNHANNLMQN-RTBURBONSA-N 312.363 4.587 30 20 DJED C=CCC(CC=C)C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 672163634 DLJGRGGKXGTJRX-XUVXKRRUSA-N 309.453 4.550 30 20 DJED Cc1cccc(-c2n[nH]cc2/C=C2/CCc3ccccc3C2=O)c1 728785280 CMKUVEKOPJAXHD-ATVHPVEESA-N 314.388 4.598 30 20 DJED COc1ccc2oc(C(C)=NN[C@@H](C)c3ccccc3)c(C)c2c1 729142405 RVXXOOVMULLIRN-AWEZNQCLSA-N 322.408 4.825 30 20 DJED C[C@H](NN=Cc1c(Cl)cccc1OC(F)F)c1ccccc1 732924753 HCRDTDLQOVIHOQ-NSHDSACASA-N 324.758 4.626 30 20 DJED O=C1/C(=C\c2ccccc2C(F)(F)F)Cc2cc(F)ccc21 734307853 USHVULVPDQIAMZ-GHXNOFRVSA-N 306.258 4.667 30 20 DJED CC[C@H]1CCCC(=NNc2ncnc3c2oc2ccccc23)C1 734978490 JRAAIYPHPKJRAX-LBPRGKRZSA-N 308.385 4.744 30 20 DJED CCc1cc(CN(CC#N)C2CCCC2)c(O)c(C(C)(C)C)c1 738255867 CENXSOQKGOYMNP-UHFFFAOYSA-N 314.473 4.520 30 20 DJED C[C@H]1/C(=C\c2cccs2)C(=O)c2cccc(Br)c21 742434270 DPTFVTZWOZRIJZ-KWINOFQJSA-N 319.223 4.894 30 20 DJED CCCCCCCC(C)=NNc1ccc(C(F)(F)F)nn1 754711514 YUWOUPLQKMKGCE-UHFFFAOYSA-N 302.344 4.644 30 20 DJED Cc1cc(/C=C/C(=O)c2ccc(OC(C)C)cc2)cnc1Cl 760265573 WIPHYXMZQSNOFP-RUDMXATFSA-N 315.800 4.727 30 20 DJED Cc1cc(CNc2ccc(OC3CCC3)c(F)c2)ccc1C#N 767686938 QNZPGZKGCBTUDS-UHFFFAOYSA-N 310.372 4.549 30 20 DJED Cc1c(C(=O)/C=C/c2ccc(F)c(C#N)c2)oc2ccccc12 770571402 RQKBGUTXBGNHAO-VQHVLOKHSA-N 305.308 4.648 30 20 DJED C[C@H](N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(OCC#N)cc1 772960726 VBRQLIQTVIEQIY-GDAAHCPNSA-N 312.457 4.598 30 20 DJED CC1(C)CCC[C@@H]1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 773982886 SRKNCROLJOCIEI-HUUCEWRRSA-N 324.449 4.813 30 20 DJED CCCCCCCC[C@H](C)CC(=O)N1CCC[C@H]1c1ncc[nH]1 777452963 JIZFBINBGHYBBM-IRXDYDNUSA-N 319.493 4.850 30 20 DJED CC(C)(C#N)CCCC[S@@](=O)[C@@H]1CCc2cc(Cl)ccc21 794789750 PWXVEQNCMWBWRV-IIBYNOLFSA-N 323.889 4.796 30 20 DJED CCC(CC)[C@H](C)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797567934 CSBYWCIWVBFNHD-WCQYABFASA-N 306.475 4.689 30 20 DJED COc1ccccc1CON=Cc1csc(Cl)c1Cl 799118427 FZZWKPVRKHKNNQ-UHFFFAOYSA-N 316.209 4.614 30 20 DJED CC(C)(CCC#N)CNC(=O)Nc1ccc(-c2ccccc2)cc1 806098958 SZLVVHBSFNJXNE-UHFFFAOYSA-N 321.424 4.805 30 20 DJED COc1ccc(/C=C\C(=O)c2c(F)cccc2Cl)cc1F 809158480 ASNAOXOEYKTPBD-ALCCZGGFSA-N 308.711 4.523 30 20 DJED Cc1cc(C(=O)/C=C\c2cc(O)cc(C(F)(F)F)c2)oc1C 811692034 WQCSEFGBPBXAMN-ARJAWSKDSA-N 310.271 4.517 30 20 DJED CC[C@@H]1CCC[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 835070929 SOXPCTYQMQLORE-FVQBIDKESA-N 324.449 4.813 30 20 DJED CC(=O)[C@@](C#N)(CCSc1ccc(C)s1)c1ccccc1 871673095 BUUUMFGENDRETI-KRWDZBQOSA-N 315.463 4.589 30 20 DJED Cc1oc(C(C)C)cc1C(=O)N(O)Cc1cccc2ccccc12 901370125 SCQGSALEOBZOSQ-UHFFFAOYSA-N 323.392 4.896 30 20 DJED CC[C@@H](Nc1cccc(NC(=O)C(C)C)c1)c1cccc(C#N)c1 902900864 AUSBBJYRIUUUOQ-LJQANCHMSA-N 321.424 4.716 30 20 DJED CC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cccc(C#N)c1 903023848 UJQKGOJPXFWSSF-SFTDATJTSA-N 315.420 4.548 30 20 DJED CCCCCCCC(=O)N(Cc1ccc(C#N)cc1)C(C)C 914501401 HAVGPYLYSKXKLY-UHFFFAOYSA-N 300.446 4.656 30 20 DJED CC(C)(C)c1ccc(/C=C/C(=O)c2ccc(CC(=O)O)cc2)cc1 915106983 ZAZFWEFLACWQGB-MDWZMJQESA-N 322.404 4.507 30 20 DJED N#CCCCCN[C@@H](Cc1ccc(F)cc1Cl)c1ccoc1 924942298 NDTUVXAMUBGHEP-KRWDZBQOSA-N 320.795 4.639 30 20 DJED CC(C)C[C@H]1CCCCCN1C(=O)c1ccc(C#N)c(Cl)c1 1126348060 NEOVANQABUNIKD-MRXNPFEDSA-N 318.848 4.643 30 20 DJED N#Cc1ccc(NC(=O)CC(C2CCC2)C2CCC2)c(Cl)c1 1127043757 URLVPUGMVLNJTQ-UHFFFAOYSA-N 316.832 4.757 30 20 DJED Cc1nc(Nc2cccc(COC(C)C)c2)c(Cl)cc1C#N 1185007193 JOBVGXPZXXNDLM-UHFFFAOYSA-N 315.804 4.584 30 20 DJED Cc1cccc(C(C)(C)CNc2ncc(Cl)c(C)c2C#N)c1 1185097682 BDIBUQVTVUKBBC-UHFFFAOYSA-N 313.832 4.613 30 20 DJED Cc1c(Cl)cnc(N[C@H](C)c2cc(Cl)ccc2F)c1C#N 1186023676 UZHZQHWPAUPHSI-SECBINFHSA-N 324.186 4.881 30 20 DJED CC[C@@H](C)c1ccc(C(=O)COc2ccc(C#N)c(C)c2)cc1 1189235777 VUUPFRJCNDEJGU-CQSZACIVSA-N 307.393 4.642 30 20 DJED C=C[C@](C)(CC)c1nnc(CSc2ccc(Cl)cc2)o1 1261572318 ILZPSXVIBSQULL-OAHLLOKOSA-N 308.834 4.869 30 20 DJED CC(C)[C@H](CC1CCCCC1)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 1275465334 UTENPCXSHZBGTF-KURKYZTESA-N 305.462 4.855 30 20 DJED CC(C)[C@H](CC1CCCCC1)C(=O)O[C@H]1CCC[C@@H](C#N)C1 1275465336 UTENPCXSHZBGTF-SQNIBIBYSA-N 305.462 4.855 30 20 DJED CCN(CCC1(C#N)CCCCC1)[C@@H](C)Cc1ccsc1 1307709912 UBAJSSJGUVLPSX-INIZCTEOSA-N 304.503 4.865 30 20 DJED N#Cc1c(F)cccc1CNC[C@@H]1CCCC[C@H]1c1ccccc1 1308765075 FIDBXMDJNSAQBY-HKUYNNGSSA-N 322.427 4.761 30 20 DJED N#Cc1csc(CN2C[C@@H]3CCCC[C@@]32c2ccccc2)c1 1324776407 OHOOPNGIZDZXAN-PKOBYXMFSA-N 308.450 4.521 30 20 DJED Cc1ccc([C@@H](Nc2ccc(OCC#N)cc2)C2CCCC2)o1 1325357235 QTHLKOLXEQYNGS-IBGZPJMESA-N 310.397 4.834 30 20 DJED CCC(CC)(c1ccccc1)c1nnc(-c2cccc(C#N)c2)o1 1345951474 JNXJGHGESMZMNY-UHFFFAOYSA-N 317.392 4.714 30 20 DJED C[C@@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C#N)CCCCC2 1349781354 DUKOGWUTIUDDRH-CHWSQXEVSA-N 316.470 4.653 30 20 DJED CCCc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)s1 1349963750 ICQNWSCZEYCNAX-UHFFFAOYSA-N 304.440 4.503 30 20 DJED CC1(C)CCCC[C@H]1CC(=O)Nc1sc2c(c1C#N)CCC2 1354313817 HNLHBTXROCBKQF-LBPRGKRZSA-N 316.470 4.653 30 20 DJED CCc1c(C)sc(NC(=O)C2(CC(C)C)CCC2)c1C#N 1361130352 OIUMYJKOKZPQRK-UHFFFAOYSA-N 304.459 4.646 30 20 DJED N#Cc1cccc(Oc2ccc(NC(=O)CCC3CCC3)cc2)c1 1456189322 ZRLSCAPDEOJNIZ-UHFFFAOYSA-N 320.392 4.869 30 20 DJED CCN(C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1)c1ccc(C#N)c(Cl)c1 1458034150 IDMJQTWQJXIDMZ-MGPQQGTHSA-N 318.848 4.637 30 20 DJED CCC(C)(C)c1ccc(COC(=O)c2ccsc2C#N)cc1 1520641508 XUQDJPOGNRSGEW-UHFFFAOYSA-N 313.422 4.664 30 20 DJED Cc1oc(-c2ccccc2)c(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c1C 1528491397 YHLHIVLFORDQBY-DOTOQJQBSA-N 323.392 4.803 30 20 DJED CC[C@@H](C)CC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1528585370 YYUPVPKCSNAHOD-HZPDHXFCSA-N 320.436 4.839 30 20 DJED C[C@H](OC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C#N)cc1 1539792008 UBOOUIFXXQHXDH-AWEZNQCLSA-N 307.393 4.774 30 20 DJED Cc1cccc([C@@H](C)C(=O)N(c2ccccc2C#N)C2CCC2)c1 1587311155 WLJHCLFMAAXZAD-MRXNPFEDSA-N 318.420 4.556 30 20 DJED COc1cc(Cl)ccc1CSc1ccc(C#N)cc1F 1613566344 UVEVYIYNVDFONP-UHFFFAOYSA-N 307.777 4.652 30 20 DJED Cc1c(Cl)cnc(N2CC3(CCCCC3)[C@H]2C(C)C)c1C#N 1642775154 CXXFLDWZFLPVNP-MRXNPFEDSA-N 317.864 4.710 30 20 DJED N#Cc1cccc(SCc2cccc(CN3CCCCC3)c2)c1 1651840628 XJLADHFMWZISAC-UHFFFAOYSA-N 322.477 4.836 30 20 DJED CC1(C)CN(Cc2ccc(-c3ccccc3C#N)cc2)CCS1 1652678857 GKQGDIOCKDIKLB-UHFFFAOYSA-N 322.477 4.553 30 20 DJED CC(C)C1CCC(CNCc2ccc(C#N)c(Cl)c2)CC1 1656145943 MBBOUDUBFXRYSV-UHFFFAOYSA-N 304.865 4.764 30 20 DJED Cc1ccccc1[C@@H](C)N1CCC(c2ccc(C#N)cc2)CC1 1656289132 LNWWSHKWEUXMOK-QGZVFWFLSA-N 304.437 4.807 30 20 DJED C[C@H](CCC#N)CN1CCC(C)(c2ccc(Cl)cc2)CC1 1657958240 SHQAVIMHICPCKW-OAHLLOKOSA-N 304.865 4.633 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CC)c1 1665591491 ZKSIQOPKUSFAJT-UHFFFAOYSA-N 321.424 4.565 30 20 DJED Cc1cc(C)c(C(=O)/C=C\c2ccc(C)c(C(=O)O)c2)cc1C 1776132781 FPGSRZJRDMGYAI-FPLPWBNLSA-N 308.377 4.515 30 20 DJED Cc1sc(NC(=O)c2ccccc2C(F)(F)F)c(C#N)c1C 20859332 NRQYVTOOIGHDTH-UHFFFAOYSA-N 324.327 4.508 30 20 DJED O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 33369193 KBKYPWIHYIERCX-BENRWUELSA-N 319.316 4.751 30 20 DJED C[C@@H](Nc1ccc(C#N)cc1)c1ccc(F)c(Br)c1 37212163 GUNNOKWGHWXRTO-SNVBAGLBSA-N 319.177 4.633 30 20 DJED C=C(C)CN(CC)C(=O)CSc1c(Cl)cccc1Cl 104524147 HTFCPGGGGVBCFE-UHFFFAOYSA-N 318.269 4.510 30 20 DJED Cc1ccc2cccc(N[C@@H](C)c3ccc(OCC#N)cc3)c2n1 171132616 PQNUVNXVVPVULA-HNNXBMFYSA-N 317.392 4.619 30 20 DJED Cc1ccc(-c2ncc(/C=C/c3ccc(C#N)cn3)s2)cc1 172044127 LCUYVNLOVLNIOS-CMDGGOBGSA-N 303.390 4.556 30 20 DJED C[C@H](NCC(C)(C)CCC#N)c1cccc(OC(F)(F)F)c1 180286124 PCKXHLNYLLZJJN-LBPRGKRZSA-N 314.351 4.566 30 20 DJED CCOc1cccc([C@@H](C)NCc2ccccc2C(C)(C)C#N)c1 180713108 YKEWLEPIBICJGX-MRXNPFEDSA-N 322.452 4.737 30 20 DJED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1cccc(N2CCCC2)c1 181886197 UMQJNMCKKDZVGQ-SJORKVTESA-N 319.452 4.570 30 20 DJED CCCCCOc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 236776989 QEWHSMYRPISWSJ-QGZVFWFLSA-N 322.452 4.978 30 20 DJED N#CCN(C(=O)c1cc2c(s1)CCCCCC2)c1ccccc1 302376993 REWIAOJDVWRASK-UHFFFAOYSA-N 324.449 4.577 30 20 DJED CCC(CC)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 303028714 NJFQZNQMDBWTHB-UHFFFAOYSA-N 323.396 4.661 30 20 DJED N#Cc1cc(F)ccc1CN1CCC[C@@H]1c1ccccc1Cl 303131768 BHIHEPHKODTIDQ-GOSISDBHSA-N 314.791 4.688 30 20 DJED N#Cc1c(N=C(O)[C@@H]2CCSC2)sc2c1CCCCCC2 329983737 BMBVTEOXRBKAEO-LLVKDONJSA-N 320.483 4.620 30 20 DJED CC(C)(C)CN(CCC#N)Cc1c(Cl)ccc2cccnc12 346263199 BVLARUCWSQFMIS-UHFFFAOYSA-N 315.848 4.650 30 20 DJED N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCSc3ccc(F)cc31)CC2 353263247 WCISLAQXIDQHDU-ROUUACIJSA-N 324.424 4.511 30 20 DJED COc1cccc([C@@H](C)Nc2ccc(C#N)c(C(F)(F)F)c2)c1 390864075 OJBHFCWFYZKZFA-LLVKDONJSA-N 320.314 4.759 30 20 DJED C[C@H](Cc1ccccc1F)Nc1cccc(OCCCC#N)c1 391543963 YPYYZLZIAXBPPY-OAHLLOKOSA-N 312.388 4.551 30 20 DJED CCOc1ccc(Cl)cc1[C@@H](C)NCc1ccc(C#N)s1 421876317 JRNHHOGJGANBJD-LLVKDONJSA-N 320.845 4.523 30 20 DJED N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(Cl)cc1F 427851556 CWHUXNKECMKJEG-GOSISDBHSA-N 314.791 4.518 30 20 DJED C=CCC(C)(C)C(=O)N1CC=C(c2c[nH]c3cc(C)ccc23)CC1 431433112 JORUOIIZIJCRFS-UHFFFAOYSA-N 322.452 4.694 30 20 DJED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)c1cccc(Cl)c1F 436293855 DWCFSJHBBFQCMY-VMGRFDJRSA-N 311.828 4.501 30 20 DJED C=CCN(C(=O)c1ccccc1CSCC)c1ccccc1 448122832 AABLRJARNLANRK-UHFFFAOYSA-N 311.450 4.773 30 20 DJED C=CCN(Cc1ccc(OC)cc1)C(=O)CCCC1CCCC1 463291891 PZZLVYKYMOUWMY-UHFFFAOYSA-N 315.457 4.570 30 20 DJED CC#CCN1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 471182130 PVLMUGYZPDCSLW-KRWDZBQOSA-N 308.425 4.625 30 20 DJED C=C(C)[C@H](NCCCc1ccc(C)nc1)c1ccc(F)c(F)c1 474933942 YGRFDUQUNLSWRP-IBGZPJMESA-N 316.395 4.508 30 20 DJED C=C(C)CN1CCC(N[C@H](C)c2cccc3ccccc23)CC1 482630433 QDCYIHRMCVZWPU-QGZVFWFLSA-N 308.469 4.531 30 20 DJED CC(C)(C)[C@H]1C[C@H](Nc2cccc(OCCCC#N)c2)CS1 488339585 OBAFADVBGKPAHF-DOTOQJQBSA-N 318.486 4.701 30 20 DJED CCC[C@H](C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 494665988 PTALXRKXLIAHJW-INIZCTEOSA-N 312.800 4.734 30 20 DJED CCc1sc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1C 499429128 AFMGKBAZAOIBEQ-UHFFFAOYSA-N 312.438 4.672 30 20 DJED CCN(C/C(C)=C\c1ccccc1C(F)(F)F)C[C@@H](C)C#N 503953585 PLUQUIILAAFPIA-XXYUJHKVSA-N 310.363 4.590 30 20 DJED Cc1ccc(C)c2c(C)c(C(=O)N[C@@H](C#N)C3CCCCC3)oc12 506531973 OCNSILXMYSEAHV-INIZCTEOSA-N 324.424 4.560 30 20 DJED N#CCN(Cc1ccc(-c2cccc(Cl)c2Cl)o1)C1CC1 511979727 ZFDAASJAUDSFEI-UHFFFAOYSA-N 321.207 4.741 30 20 DJED Cc1cc2c(o1)CC(C)(C)C[C@H]2Nc1ncc(C#N)cc1Cl 513635226 KVWXBGFGCILSIX-CQSZACIVSA-N 315.804 4.634 30 20 DJED CCCN(C(=O)Nc1cccc(C#N)c1)[C@@H](CC)c1ccccc1 521764271 LDFCKNBXHOPZSP-IBGZPJMESA-N 321.424 4.953 30 20 DJED CCC[C@H](C#N)NC(=O)c1ccc(C)cc1Sc1ccccc1 543156598 OTRVHJQERZVJEM-OAHLLOKOSA-N 324.449 4.568 30 20 DJED Cc1ccccc1N(C(=O)c1ccc(Cl)c(C#N)c1)C(C)C 544443893 GMHZUGMFJITUHM-UHFFFAOYSA-N 312.800 4.575 30 20 DJED CC(C)(C#N)CC[S@@](=O)c1ccc(C2CCCCC2)cc1 548133608 YYOGDOPONZGLIJ-OAQYLSRUSA-N 303.471 4.782 30 20 DJED C=CCn1c(S[C@@H](C#N)C2CCCCC2)nc2ccccc21 569378787 BFZHVPAEGGGBEP-KRWDZBQOSA-N 311.454 4.787 30 20 DJED CCCc1sc(C(=O)Nc2ccccc2CC#N)cc1CC 580558783 JGAVFHBQUIZCAX-UHFFFAOYSA-N 312.438 4.581 30 20 DJED C[C@H](NCc1ccc(C#N)c(Cl)c1)[C@@H]1C[C@H]1c1cccs1 591348209 JQQTVROKQSPQRE-TUKIKUTGSA-N 316.857 4.555 30 20 DJED Cc1ccc(-c2ncc(CN(CCC#N)C(C)C)s2)cc1C 594602768 NMNISHQGLUPFAD-UHFFFAOYSA-N 313.470 4.551 30 20 DJED N#CC1(CC(=O)Nc2ccccc2C(F)(F)F)CCCCC1 598798028 KBPDYKBKRMOMAP-UHFFFAOYSA-N 310.319 4.508 30 20 DJED CCC[C@H](C#N)NC(=O)CCCCc1ccc(C(C)(C)C)cc1 608879789 WNBWHTQOVQCKRR-GOSISDBHSA-N 314.473 4.505 30 20 DJED CC(C)c1ccccc1NC(=O)N[C@@H](C)c1cccc(C#N)c1 610317335 SCWUXGWEUMEJHO-AWEZNQCLSA-N 307.397 4.564 30 20 DJED CCCc1nc(CSc2ccc(Cl)cc2C#N)cs1 610654953 KUSMZZVSYQUQAV-UHFFFAOYSA-N 308.859 4.913 30 20 DJED C=CCN(C(=O)c1sc(-c2ccccc2)nc1C)C(C)(C)C 622943005 KCPQJYOWRYKGGH-UHFFFAOYSA-N 314.454 4.545 30 20 DJED C=CCN(C(=O)c1csc(C2CCCCC2)n1)C(C)(C)C 622945947 ZLUODSHUFRIRCR-UHFFFAOYSA-N 306.475 4.618 30 20 DJED C#CCCOc1ccc(CN[C@H](CC)c2ccc(C)cc2)cc1 733322866 FWDMNQHVTOGTBG-OAQYLSRUSA-N 307.437 4.638 30 20 DJED O=C1/C(=C\c2cc(F)ccc2F)CCOc2c(Cl)cccc21 733748768 JBNLHNBKYLERPS-NTMALXAHSA-N 320.722 4.667 30 20 DJED CCCCCCCCCC(=O)NC(C)(C)c1nc(C)cs1 734804856 GAAOQHDGIHOSTC-UHFFFAOYSA-N 310.507 4.944 30 20 DJED C=CC[C@H](C)NC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 735065308 BLJYVAIKPUQICA-WIOAZZGGSA-N 315.413 4.509 30 20 DJED O=C1/C(=C/c2cccnc2Cl)CCCc2ccc(Cl)cc21 735232535 OQPHYGJUGDMMOP-FMIVXFBMSA-N 318.203 4.991 30 20 DJED Cc1cc(C(=O)/C=C/c2ccc3ncccc3c2)cc(C)c1F 741468676 XEWXXZLUGWNSGA-SOFGYWHQSA-N 305.352 4.887 30 20 DJED CCCCCCCCCC(=O)N1CCCC2(CCOCC2)C1 742083651 DETDEURLDQIGKK-UHFFFAOYSA-N 309.494 4.546 30 20 DJED Cc1cc(C(=O)/C=C\c2cccc(OC(F)F)c2)c(C)s1 747063133 BVUMSQPQPYBSRP-SREVYHEPSA-N 308.349 4.862 30 20 DJED CC1(C)/C(=C/c2coc(-c3ccccc3)n2)C(=O)c2ccccc21 749890978 FOMWVZFHRGXNRJ-LDADJPATSA-N 315.372 4.899 30 20 DJED C=C[C@H](CC(=O)Oc1ccc(N2CCCC2)cc1)c1ccccc1 759418195 DDYIUHPIOQESNT-QGZVFWFLSA-N 321.420 4.552 30 20 DJED C#Cc1cccc(N(C(=O)c2sccc2C2CC2)C(C)C)c1 763033203 BZQJIUKULBLZQS-UHFFFAOYSA-N 309.434 4.662 30 20 DJED C#CCCCSc1nnc(-c2ccccc2)c2ccccc12 766284579 RCELTZPWBKTCAV-UHFFFAOYSA-N 304.418 4.802 30 20 DJED C[C@H]1CC/C(=C/C(=O)Nc2cc(C(C)(C)C)sc2C#N)C1 774162427 ITZDPXSXDHNRHB-LCFDYFRESA-N 302.443 4.602 30 20 DJED Cc1cc(F)ccc1-c1ccc(/C=C/C(=O)c2cscn2)o1 776192269 NQNVDOWMALLOCI-ZZXKWVIFSA-N 313.353 4.747 30 20 DJED C#CCCCCC(=O)N1CC[C@@H](C)Sc2ccc(Cl)cc21 776310677 MVBOTYRWUGLKDU-CYBMUJFWSA-N 321.873 4.751 30 20 DJED C=CC[C@H](C(=O)Oc1ccc(C(=O)CC)cc1)c1ccccc1 777409320 XOQARWLEIIIEQH-SFHVURJKSA-N 308.377 4.545 30 20 DJED FC(F)(F)Oc1ccccc1NN=Cc1ccccc1C1CC1 777451746 OZCTYNVPNCOWNK-UHFFFAOYSA-N 320.314 4.909 30 20 DJED O=C1/C(=C/c2scnc2C2CC2)CCc2ccc(Cl)cc21 782351435 KTEFUZHIBUXTDR-KPKJPENVSA-N 315.825 4.886 30 20 DJED C[C@]1(c2ccccc2)CC[C@@H](Nc2cccc(OCC#N)c2)C1 783661372 VNJIIMYNZOYAAV-QUCCMNQESA-N 306.409 4.511 30 20 DJED N#Cc1c(Cl)nsc1SCc1ccccc1C1CC1 786103759 VHIKSOJCOBFUHS-UHFFFAOYSA-N 306.843 4.838 30 20 DJED C=CC[C@H]1N(C(=O)Nc2ccnc(Cl)c2C)CCCC1(C)C 810285482 QDKDXQSJEXUATA-CQSZACIVSA-N 321.852 4.642 30 20 DJED CCCCCCCCCC(=O)N1CCC2(CC1)CC2(F)F 844868588 WAVSRUKFZDQFIL-UHFFFAOYSA-N 301.421 4.775 30 20 DJED CCc1oc2ccccc2c1C=NNc1ccc(C(C)(C)C)nn1 1116090176 JFFOKXWFBFPDLG-UHFFFAOYSA-N 322.412 4.529 30 20 DJED CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C#N)c(Cl)c1 1125753707 IIIJNWAUCNAKPR-GUYCJALGSA-N 318.848 4.546 30 20 DJED CC(C)Oc1ccc2ccccc2c1CN(C1CC1)[C@H](C)C#N 1195919798 PHBJSGUCMAOCIK-OAHLLOKOSA-N 308.425 4.503 30 20 DJED CC(C)(C)c1ccc(C#N)c(NCc2cccc(C(F)F)c2)n1 1255360113 LYGHFTGAUHWBRD-UHFFFAOYSA-N 315.367 4.800 30 20 DJED N#CCc1cccc(NCc2csc(-c3ccsc3)n2)c1 1308409390 YIPLCLSNCSLTQZ-UHFFFAOYSA-N 311.435 4.550 30 20 DJED N#Cc1ccnc(/C=C\c2cnc(-c3ccc(Cl)cc3)s2)c1 1324705855 DOLXVLVOBFUKGR-WAYWQWQTSA-N 323.808 4.901 30 20 DJED CC(C)N(CCc1ccccc1)Cc1ccc(Cl)cc1C#N 1459368765 LFGHUWIRYSBKRE-UHFFFAOYSA-N 312.844 4.665 30 20 DJED C[C@H](NCc1cc(C#N)ccc1F)[C@@H](C)c1ccc(Cl)cc1 1462588188 SMBUIXDOKPKWBJ-OLZOCXBDSA-N 316.807 4.633 30 20 DJED CC(C)CN(CC(C)(C)C)c1nc(C(C)(C)C)ccc1C#N 1559148278 ZNAHWGFRXNSRAY-UHFFFAOYSA-N 301.478 4.759 30 20 DJED COc1ccc(C#N)cc1CNC(C)(C)CC1CCCCCC1 1642741397 MITUHMAZDYWEMM-UHFFFAOYSA-N 314.473 4.796 30 20 DJED CN(Cc1ccc(CC#N)cc1)[C@@H]1CCC[C@@H]1c1ccccc1 1653848484 UOGPNPDLRICCBU-NHCUHLMSSA-N 304.437 4.521 30 20 DJED Cc1cc(NCc2ccc(C#N)c(C)c2)ccc1Br 1656113662 OFBCFIHXOODVLP-UHFFFAOYSA-N 315.214 4.550 30 20 DJED CC[C@H](C)c1ccc(C(C)=NNc2cccc(C(=O)O)c2)cc1 1776037458 ISUZBKZUJQUYTJ-ZDUSSCGKSA-N 310.397 4.734 30 20 DJED CC(C)(C)c1ccc(/C=C/C(=O)c2cccc(C(=O)O)c2)cc1 1776272457 IJVPLISEVLWACO-FMIVXFBMSA-N 308.377 4.578 30 20 DJED CCCCCCC[C@@H](CC(=O)O)NC/C(C)=C/c1ccccc1 1776782335 JSOLJFQXUVXJLJ-FLXZHSAZSA-N 317.473 4.883 30 20 DJED O=C(O)c1cccc(C(=O)/C=C\c2cc(Cl)ccc2Cl)c1 1777684836 HQAIPEGZFHHAAR-DAXSKMNVSA-N 321.159 4.588 30 20 DJED COc1ccc2cc(/C=C/C(=O)c3cnn(C(C)C)c3)ccc2c1 72047962 JXUBBHIFYJYBCR-WEVVVXLNSA-N 320.392 4.522 30 20 DJED N#CCCCOc1cccc(NCc2ccc(Cl)c(F)c2)c1 120803489 JHQOBHCESSCCMY-UHFFFAOYSA-N 318.779 4.774 30 20 DJED CCCCCCCC(=O)O[C@@H](c1ccccn1)C(F)(F)F 160380933 FLWKYQNJDACFAV-AWEZNQCLSA-N 303.324 4.589 30 20 DJED N#Cc1ccc(/C=C/C(=O)c2cccc(-c3ccncc3)c2)s1 176409462 HHKZCDUJNZRZJK-VOTSOKGWSA-N 316.385 4.578 30 20 DJED C[C@@H]1CCC[C@H](/N=C(/O)c2ccc3c(c2)N=C(O)C3(C)C)CC1 328990419 ICYWBOSDQORQOD-OCCSQVGLSA-N 314.429 4.839 30 20 DJED Cc1cc(SC2CCCCC2)ccc1N/C(O)=N/CCC#N 331145068 NGJYGDBKXDMONY-UHFFFAOYSA-N 317.458 4.659 30 20 DJED N#Cc1cc(F)ccc1CN[C@H](CC1CCC1)c1ccccc1 351103398 RIBIXVZGOKGAED-HXUWFJFHSA-N 308.400 4.718 30 20 DJED Cc1cc(Cl)cc(C#N)c1OCc1oc(C(C)C)nc1C 421853383 JUBNPBOEASTPNH-UHFFFAOYSA-N 304.777 4.519 30 20 DJED CCC(CC)CN(CCC#N)C(=O)Nc1ccc(Cl)cc1 426630354 IZEHSQHDRFBCRM-UHFFFAOYSA-N 307.825 4.524 30 20 DJED CC1(C)CCCN(Cc2csc(C3CCCCC3)n2)[C@H]1C#N 444721491 FQCKKCHRFGYNMJ-INIZCTEOSA-N 317.502 4.705 30 20 DJED Cc1nc(C(C)C)ccc1CNc1ccc(CC#N)cc1Cl 453118007 ARYWQLZZWWNSOZ-UHFFFAOYSA-N 313.832 4.845 30 20 DJED CC(C)(C)Oc1ccc(NC(=O)Nc2cccc(CC#N)c2)cc1 455921923 QCSBTZGGFZCBBG-UHFFFAOYSA-N 323.396 4.574 30 20 DJED C=CCC[C@@H](C(=O)NCc1cccc2cc[nH]c12)c1ccccc1 466629976 WHLWLMXQJVOKAY-LJQANCHMSA-N 318.420 4.534 30 20 DJED C=C(C)CN(CC)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 499820738 DMPOZJLCAFMCGY-KGLIPLIRSA-N 312.240 4.522 30 20 DJED CCCCOc1ccc(OC)cc1N[C@H](C#N)C1CCCCC1 522383774 OSWRTZJKFWKFSP-GOSISDBHSA-N 316.445 4.758 30 20 DJED Cc1cc(C#N)ccc1OCc1coc(-c2cccc(Cl)c2)n1 522994479 IETRQTPWBALVCI-UHFFFAOYSA-N 324.767 4.754 30 20 DJED Cc1cc(F)ccc1-c1ccc(CN(CC#N)C2CCCC2)o1 538718786 NOQKVVOTXYLGRY-UHFFFAOYSA-N 312.388 4.662 30 20 DJED CC(C)(C)c1ccc(C(C)(C)NCc2ccc(C#N)s2)cc1 539527994 GZLTVSDYTJYRFW-UHFFFAOYSA-N 312.482 4.942 30 20 DJED N#Cc1ccc(CSCCCCCF)c(OC(F)F)c1 551003670 OLDQQLPWXVPYHR-UHFFFAOYSA-N 303.349 4.533 30 20 DJED C=C(C)CN(Cc1ccccc1)C(=O)CCc1ccc(C)s1 562198364 GSLDLDYBJADLSC-UHFFFAOYSA-N 313.466 4.594 30 20 DJED CC(C)CC[C@H](NC[C@H](C#N)CCC#N)c1ccc(Cl)cc1 571790210 CNAHNQQUXDJUDT-YJBOKZPZSA-N 317.864 4.850 30 20 DJED C=CCC[C@@H](N[C@H](C)c1cc(OC)ncc1F)c1ccccc1 582864145 XOIXKCHXGJPAEL-RDTXWAMCSA-N 314.404 4.587 30 20 DJED Cc1cc(C)c(C(=O)Nc2ccccc2SCCC#N)s1 601128002 YJXPBTJZABQCSY-UHFFFAOYSA-N 316.451 4.623 30 20 DJED COc1cccc(NN=C(C)c2ccc(Cl)c(Cl)c2)c1 725853882 VKTAFQKWMWYUAQ-UHFFFAOYSA-N 309.196 4.838 30 20 DJED C#Cc1cccc(N(CC)C(=O)c2ccc(Cl)c(Cl)c2)c1 728481339 YFQVJEHFNBUDAY-UHFFFAOYSA-N 318.203 4.641 30 20 DJED CCCCCCCCC(=O)N1CCCc2cc(OC)ccc2C1 728547922 SYGHBKALYYPCIA-UHFFFAOYSA-N 317.473 4.721 30 20 DJED C#CCOc1ccc(NC(=S)Nc2cccc(C(C)C)c2)cc1 730951198 KBGWJROFQPPSRQ-UHFFFAOYSA-N 324.449 4.631 30 20 DJED CCc1c(C(C)=NOCc2cccnc2)oc2ccc(C)cc12 746587196 ITSMVNLHLGCKQR-UHFFFAOYSA-N 308.381 4.639 30 20 DJED CCCOc1ccc(/C=C/C(=O)c2ccsc2)cc1OCC 749104806 OFEWCIFRQQSVEW-FNORWQNLSA-N 316.422 4.832 30 20 DJED CCCCCCCCOCC(=O)Nc1c(F)cccc1Cl 753472468 MJZCFOBZQSFURJ-UHFFFAOYSA-N 315.816 4.795 30 20 DJED O=C1/C(=C\c2csc([N+](=O)[O-])c2)CCc2ccc(Cl)cc21 761206052 NBBJUGTYDGJTTO-WZUFQYTHSA-N 319.769 4.522 30 20 DJED Cc1cc(CNc2cccc(SC(F)F)c2)ccc1C#N 767687989 VLCYYOKBMAHHDZ-UHFFFAOYSA-N 304.365 4.794 30 20 DJED C#C[C@@H](C)N(C)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 770060241 VVVSYSVIKUKYGN-CQSZACIVSA-N 306.369 4.587 30 20 DJED C#CCCCCC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 773261690 UMGKJNNKJQTTJE-LJQANCHMSA-N 311.469 4.841 30 20 DJED C#CCCCCC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 773290509 NAUUDSUKVHNJBN-UHFFFAOYSA-N 312.240 4.538 30 20 DJED N#CCOc1cccc(/C=C/C(=O)c2cc3ccccc3s2)c1 780188947 QTPKBIOJRSUHDE-CMDGGOBGSA-N 319.385 4.700 30 20 DJED C[C@@H]1CC(=NNc2ncncc2Cl)C[C@H](c2ccccc2)C1 780280956 BEXKCIRTFDWOCX-GXTWGEPZSA-N 314.820 4.502 30 20 DJED CC(C)(C#N)CC(=O)Nc1ccccc1SCc1ccccc1 782006418 KZSQYAQBEVQBHP-UHFFFAOYSA-N 324.449 4.857 30 20 DJED C/C(=C/C(=O)OCCCC(C)(C)C#N)c1ccccc1Cl 783424379 WYDPTDPUVMXHIO-QBFSEMIESA-N 305.805 4.616 30 20 DJED C=CC[C@@H](NC(=O)CC(C)(C)C1CCCCC1)c1ccncc1 793518008 JOFYHKZFIVLRSN-GOSISDBHSA-N 314.473 4.812 30 20 DJED C/C(C=NOCc1cccnc1)=C\c1ccccc1C(F)(F)F 799884390 DEVGPLYIGAFXJH-BFMOUZLRSA-N 320.314 4.706 30 20 DJED CC(C)(C#N)OC(=O)c1ccc(-c2ccc(Cl)cc2)s1 803511657 ICQITCXBILDZIA-UHFFFAOYSA-N 305.786 4.527 30 20 DJED C#Cc1ccc(CNc2ccccc2CCC(F)(F)F)cc1 809597754 WXFNEULIKJUYQJ-UHFFFAOYSA-N 303.327 4.775 30 20 DJED C=CCC1(C(=O)N[C@@H](C)c2nc3ccccc3s2)CCCC1 825852176 ZFRRSOXDIXVVBL-ZDUSSCGKSA-N 314.454 4.610 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)n1 835200734 OHRUDRJLDOECDQ-XJFOESAGSA-N 304.459 4.515 30 20 DJED O=C(/C=C\c1ccccc1F)c1sccc1Br 915113288 NIHZKPLXIIYUHV-WAYWQWQTSA-N 311.175 4.546 30 20 DJED CCOc1ccc(O)c(C=Nc2ccc(C(F)(F)F)cc2)c1 920942404 CBXQHTDRWKFPOO-UHFFFAOYSA-N 309.287 4.560 30 20 DJED O=C1/C(=C\c2ccc(Cl)c(F)c2)CCOc2ccc(F)cc21 921265448 GGEFVBABFDJKEG-XFFZJAGNSA-N 320.722 4.667 30 20 DJED CC1(C)CCCN(C(=O)c2ccc(C3CCCCC3)cc2)[C@H]1C#N 1271631222 OJFJHJTYTPVWCF-IBGZPJMESA-N 324.468 4.889 30 20 DJED CC(C)Cn1ccc2c(C(=O)O[C@@H]3CCC[C@@H](C#N)C3)cccc21 1275464227 KXINQSVLXINCCB-HZPDHXFCSA-N 324.424 4.536 30 20 DJED C[C@H]1CCC[C@H](CCN2CCC(c3ccc(C#N)cc3)CC2)C1 1308114421 OCLVNYAXMIFSAR-ZWKOTPCHSA-N 310.485 4.954 30 20 DJED CCc1ccc([C@H]2C[C@H](C)CCN2Cc2ccc(C#N)c(C)c2)o1 1308578543 PJYKDPWLNYKISZ-FOIQADDNSA-N 322.452 4.995 30 20 DJED CC[C@@H](CC(C)C)C(=O)Nc1sc2c(c1C#N)CCCC2 1354846215 DXDQNPPZWQCVAX-LBPRGKRZSA-N 304.459 4.509 30 20 DJED CCc1cc(C#N)c(NC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)s1 1358293640 LJEFIKFYPGKEPI-OLZOCXBDSA-N 318.486 4.973 30 20 DJED N#C[C@H](c1ccccc1)N1CCc2cc(-c3ccccc3)oc2C1 1459734238 MVBHHQQBHOQJFW-LJQANCHMSA-N 314.388 4.570 30 20 DJED CCN(Cc1cc(-c2ccccc2C)ccc1OC)C[C@H](C)C#N 1461967631 OYBCHLMXVQFAOO-MRXNPFEDSA-N 322.452 4.652 30 20 DJED CC[C@H](OC(=O)c1ccc(C#N)s1)c1c(F)cccc1Cl 1517866365 LQTXQAKRHRPNRI-LBPRGKRZSA-N 323.776 4.720 30 20 DJED CCC(CC)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1523649180 PKTAHNMTEWUMTH-NWDGAFQWSA-N 318.486 4.755 30 20 DJED Cc1ccccc1CCCN(CC(C)C)c1ccc(C#N)cc1 1559620241 ATUSQQFQORMKSP-UHFFFAOYSA-N 306.453 4.962 30 20 DJED Cc1ccc2sc(SCc3cc(F)ccc3C#N)nc2c1 1614980622 CMBFVOGZQINFAJ-UHFFFAOYSA-N 314.410 4.908 30 20 DJED CCCN(c1ncc(C#N)cc1F)[C@@H](C)c1cc2ccccc2o1 1639339478 LEKXPYRPWDWHKR-ZDUSSCGKSA-N 323.371 4.816 30 20 DJED CCOc1ccccc1CSc1ccc(Cl)cc1C#N 1640957363 POLCSJIXOWWKTI-UHFFFAOYSA-N 303.814 4.903 30 20 DJED COc1ccccc1CSc1ccc(C#N)c(C(F)(F)F)c1 1641029104 ZVGMGEMSSNCYPI-UHFFFAOYSA-N 323.339 4.878 30 20 DJED CCC(CC)CN(CCC#N)c1nc(C2CCCCC2)ns1 1642528549 MZPLDDMYMAPJJH-UHFFFAOYSA-N 320.506 4.742 30 20 DJED CC(C)[C@H](NCc1cc(C#N)ccn1)c1ccc(C(C)(C)C)cc1 1642852369 OYOKJACOOPYPSO-FQEVSTJZSA-N 321.468 4.738 30 20 DJED CC(C)(C)C[C@@H](Nc1cc(C#N)ncn1)c1ccc(Cl)cc1 1650806080 KVLDHAZUFLSATP-OAHLLOKOSA-N 314.820 4.591 30 20 DJED N#Cc1cnc(N[C@H](c2ccc(Cl)cc2)C2CCC2)c(F)c1 1651502900 AQYYNXFZVOGQGZ-INIZCTEOSA-N 315.779 4.699 30 20 DJED N#Cc1ccc(CSc2nc3ccc(F)cc3s2)s1 1653077516 YKBWZQKXPIYEEC-UHFFFAOYSA-N 306.412 4.661 30 20 DJED CC(C)[C@@H](Nc1cccc(C#N)n1)c1ccc(Cl)cc1F 1655362352 GCKLUEPGHXRMJQ-MRXNPFEDSA-N 303.768 4.555 30 20 DJED C=CCC[C@H](CC(C)C)C(=O)Nc1cc(C(=O)O)ccc1Cl 1776165913 HFWCWKLGAFOIMD-GFCCVEGCSA-N 323.820 4.605 30 20 DJED CCc1c(C)sc(NC(=O)c2cccc(F)c2Cl)c1C#N 74729464 XJCHPQYOUAQYDD-UHFFFAOYSA-N 322.792 4.535 30 20 DJED C=C(Cl)COc1ccc([C@H](C)NCc2cccs2)cc1 156538269 PAKGZOAFYYRHLL-ZDUSSCGKSA-N 307.846 4.730 30 20 DJED CC(=O)c1ccc(OCc2ccc(C#N)cc2Cl)c(Cl)c1 163122731 VLYQJEMAQCWFCP-UHFFFAOYSA-N 320.175 4.647 30 20 DJED C[C@@H](C#N)Oc1ccccc1NCc1ccc(C(F)(F)F)cc1 182551923 PDXBYQWTAAPGNK-LBPRGKRZSA-N 320.314 4.608 30 20 DJED C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H]2CCC[C@H]2C1 191509474 KBJCJFWWRDPBAG-CALCHBBNSA-N 312.457 4.802 30 20 DJED CSc1ccc(C(=O)/C=C\c2ccc3ncccc3c2)cc1 212896134 HSIFZXWLEQGBBN-WZUFQYTHSA-N 305.402 4.853 30 20 DJED Cc1cnc([C@H](C)Nc2ccc(C#N)c(C(F)(F)F)c2)s1 226806790 VKULUGDZVUWDNX-VIFPVBQESA-N 311.332 4.515 30 20 DJED C[C@@H](CNc1cccc(F)c1C#N)c1nc2ccccc2s1 301738374 WDPSWRDSIVEYLQ-NSHDSACASA-N 311.385 4.523 30 20 DJED C[C@H](Nc1cc(Cl)ccc1C#N)c1cccc(OC(F)F)c1 302937466 JZCZYGAEYQNSRC-JTQLQIEISA-N 322.742 4.986 30 20 DJED OC(=Nc1cccc(-c2nc[nH]n2)c1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 329170067 JWBGJGTUMVXVRX-RRQGHBQHSA-N 324.428 4.666 30 20 DJED Cc1nc(C)c(-c2csc(N=C(O)[C@H]3CC[C@@H](C)C3)n2)s1 329253118 YXJLJRSCIIKVHS-KCJUWKMLSA-N 321.471 4.908 30 20 DJED COc1ccc(CC[C@@H](C)N[C@H](CCC#N)c2ccccc2)cc1 358344668 WUZAFHCBIZWUIR-DYESRHJHSA-N 322.452 4.651 30 20 DJED C=CCN(C(=O)c1cccc(C(F)(F)F)c1F)c1ccccc1 429925338 OMEZWEFLWVWIKA-UHFFFAOYSA-N 323.289 4.677 30 20 DJED C=CCCCCCN(C)C(=O)c1cccc(C(F)(F)F)c1F 430612337 SADMFNQOMJCSHR-UHFFFAOYSA-N 317.326 4.663 30 20 DJED Cc1cc(CNc2cccc(CC#N)c2)cc(C)c1OC(F)F 449689611 KJPFJADEAIXMTI-UHFFFAOYSA-N 316.351 4.583 30 20 DJED C=CCCC[C@@H](C)Sc1nnc(-c2ccc(OC)cc2)o1 462366851 XFBTUNGUCCZHLM-GFCCVEGCSA-N 304.415 4.582 30 20 DJED C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CC(C)(C)C#N 462607033 SNAJQRVOTLFVJG-KRWDZBQOSA-N 320.436 4.716 30 20 DJED C=CC[C@@H](CC)NC(=O)N(CCC)[C@H](C)c1ccccc1OC 466410815 WMHVTTHWBYPCGT-HZPDHXFCSA-N 318.461 4.533 30 20 DJED CC(C)OC[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 500450447 GUUUTDVCCCSFMY-SJORKVTESA-N 322.452 4.689 30 20 DJED CCC(C)(C)CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 505540613 QAHWZBKVISKKFL-LBPRGKRZSA-N 313.228 4.501 30 20 DJED C[C@@H](CC(=O)Nc1sc2c(c1C#N)CCC2)C1CCCCC1 508853510 RINQYKRGBKJQEF-LBPRGKRZSA-N 316.470 4.653 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(C)cc1OCC 510095377 LDJSJWVJGXLWJY-UHFFFAOYSA-N 324.424 4.614 30 20 DJED C=CCC(CC=C)C(=O)N(C)c1nc2c(Cl)cccc2s1 518193100 URYYUSOXSBCTPJ-UHFFFAOYSA-N 320.845 4.681 30 20 DJED C=C1CCN(C(=O)c2cccc(-c3ccccc3OCC)c2)CC1 536744073 IGVWCXFKFJPNAQ-UHFFFAOYSA-N 321.420 4.545 30 20 DJED C[C@H](Nc1ccc(Oc2cccnc2)cc1)c1cccc(C#N)c1 589053690 CKKQRBPVPKACSO-HNNXBMFYSA-N 315.376 4.919 30 20 DJED C=CC[C@@H](C)NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl 604900750 GHDAKGIRONITRH-MNOVXSKESA-N 315.244 4.660 30 20 DJED C=C1CCN([C@@H](C)c2nnc(-c3ccc4ccccc4c3)o2)CC1 639483004 PTCKREOQVUWVRO-HNNXBMFYSA-N 319.408 4.603 30 20 DJED C=CCN(Cc1ccc(Cl)s1)Cc1nc2c(s1)CCC2 678812748 VHHNNBAMUNHRQW-UHFFFAOYSA-N 324.902 4.535 30 20 DJED C=CC[C@H](CC)NC(=O)c1ccccc1SCc1ccco1 684939886 XRJXOFCRKDHXNY-AWEZNQCLSA-N 315.438 4.656 30 20 DJED Cc1ccccc1[C@H](C)CC(=O)O[C@@H](C)c1cccc(C#N)c1 734967317 ZSEXFMMOEFACSM-CVEARBPZSA-N 307.393 4.665 30 20 DJED Cc1cccn2c(/C=C\C(=O)c3ccc4ccccc4c3)cnc12 741463354 DIJJDLRURGDCKN-KHPPLWFESA-N 312.372 4.692 30 20 DJED Cc1cc(C(=O)/C=C\c2cnn(-c3ccccc3)c2)cc(C)c1F 741467486 OQISXTZRSBQMIO-HJWRWDBZSA-N 320.367 4.524 30 20 DJED C=CCCC(CC)=NNc1ncc(C(F)(F)F)cc1Cl 750917419 HQAIXZQKZRLMMX-UHFFFAOYSA-N 305.731 4.898 30 20 DJED C=CCOc1cccc(C=NOc2ccccc2C(F)(F)F)c1 754710075 QJBIQHNDZNILRZ-UHFFFAOYSA-N 321.298 4.683 30 20 DJED O=C1/C(=C\c2nc3ccc(F)cc3s2)CCc2ccccc21 761473386 DQRWRCIDLUTHGI-XFXZXTDPSA-N 309.365 4.648 30 20 DJED O=C1C(=Cc2csc(Cl)c2Cl)C(=O)c2ccccc21 761474362 LRWJJLGWXVBHJO-UHFFFAOYSA-N 309.173 4.518 30 20 DJED O=C1/C(=C/c2cccnc2Cl)Cc2cc(Cl)cc(Cl)c21 764433398 PWIFVAQFILTJFO-ONNFQVAWSA-N 324.594 4.864 30 20 DJED CC[C@H](C(=O)[C@H](C#N)c1nc2ccccc2o1)C1CCC(C)CC1 764756203 PVIZIKCNJIWWQJ-CKUJCDMFSA-N 324.424 4.857 30 20 DJED CC(=NNc1nccnc1C(C)C)c1ccc(Cl)c(Cl)c1 773091350 OKSNQTNSTKRWGP-UHFFFAOYSA-N 323.227 4.743 30 20 DJED COc1cc(SC)ccc1N[C@H](C)c1ccc(C#N)c(F)c1 774489185 HTJPFYFMKLDTQT-LLVKDONJSA-N 316.401 4.601 30 20 DJED CC(C)(C#N)CCCOC(=O)c1ccc(Oc2ccccc2)o1 783981492 BQUUJMDXZXZCBT-UHFFFAOYSA-N 313.353 4.559 30 20 DJED COc1ccc(C(=O)/C=C\c2cscc2Cl)c(C)c1OC 794737123 ALAVLZBISYVVCT-XQRVVYSFSA-N 322.813 4.623 30 20 DJED Cc1nn(C(C)C)cc1/C=C1/C(=O)c2ccccc2[C@H]1C(C)C 798370611 SHMIYILFJQJKLU-SZVPOVDMSA-N 308.425 4.792 30 20 DJED N#Cc1sc(Sc2cc(Cl)ccc2F)nc1Cl 804772073 ZRAPWNXEAAMOPZ-UHFFFAOYSA-N 305.186 4.612 30 20 DJED CCCCCCC[S@](=O)[C@H](C)c1nccn1-c1ccccc1 806641423 FPHJSJWDJBWXGH-ZHRRBRCNSA-N 318.486 4.652 30 20 DJED COc1cc(Cl)c(N[C@H](C)c2cccc(C#N)c2)cc1C 808722395 BTCYQSKEPPZGEW-GFCCVEGCSA-N 300.789 4.702 30 20 DJED CC(CCCC(F)(F)F)=NNc1cc(Cl)nc(Cl)c1 819828679 MMQAHIQVZWNYGE-UHFFFAOYSA-N 314.138 4.909 30 20 DJED C=CCCCC[C@H](C)N[C@H](C(=O)O)c1cccc2ccccc12 902566404 VAYKFRZPPCPOGK-KXBFYZLASA-N 311.425 4.690 30 20 DJED COc1ccc(Cl)cc1C(=O)/C=C\c1ccc(O)c(Cl)c1 921265329 DNDAAEGPKBCWGD-DJWKRKHSSA-N 323.175 4.604 30 20 DJED CC(C)(C)c1ccc(C#N)c(N2CCC3(CCCCC3)CC2)n1 1163686135 NVOCTESRWMUDJF-UHFFFAOYSA-N 311.473 4.801 30 20 DJED CC(C)(NC(=O)C[C@@H](CC#N)c1ccccc1)C1CCCCC1 1256408747 LPSYUHDMSRHTTB-QGZVFWFLSA-N 312.457 4.549 30 20 DJED Cc1oc(C#N)cc1C(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C 1264260917 YLFUGWXXJSDHCE-IBGZPJMESA-N 324.424 4.710 30 20 DJED Cc1nc(N2CCC[C@H]2CC2CCCCC2)c(Cl)cc1C#N 1458148715 ZZQVIERRFGCCBI-INIZCTEOSA-N 317.864 4.854 30 20 DJED CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)Nc1cccc(C#N)c1 1465139656 FBYJBXNCUUGWDB-NVXWUHKLSA-N 313.445 4.532 30 20 DJED Cc1ccc(Nc2cccc(C#N)n2)cc1OCC1CCCCC1 1472703736 WJGIVTGLTSHEKI-UHFFFAOYSA-N 321.424 4.964 30 20 DJED Cc1cc(C#N)cc(NC(=O)[C@H](CCc2ccccc2)C(C)C)c1 1525310986 XPVWQKFBORHSAQ-HXUWFJFHSA-N 320.436 4.710 30 20 DJED CC[C@H](C)CC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1528585373 YYUPVPKCSNAHOD-JKSUJKDBSA-N 320.436 4.839 30 20 DJED C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3sccc3C#N)c21 1535683412 YWXKVKWYAPDHIU-LLVKDONJSA-N 310.422 4.657 30 20 DJED Cc1cc(C)nc(Nc2cccc(Oc3ccc(C#N)cc3)c2)n1 1559100028 AQXQWBWZIBICEY-UHFFFAOYSA-N 316.364 4.501 30 20 DJED CC[C@@H](Nc1nc(C#N)c(Cl)s1)c1ccc(Cl)cc1 1639229373 HNRDFLBAFBLNQW-SNVBAGLBSA-N 312.225 4.885 30 20 DJED Cc1cc(Nc2ccc3nc(C(C)(C)C)sc3c2)ncc1C#N 1642344814 ZTOICFCAEVAQCH-UHFFFAOYSA-N 322.437 4.913 30 20 DJED CC(C)CCn1c(SCC2(CC#N)CC2)nc2ccccc21 1656033307 KOUJGEPWUSMTOP-UHFFFAOYSA-N 313.470 4.868 30 20 DJED COc1cc(C#N)ccc1CS[C@@H]1CCCc2ccccc21 1656240448 UGXZPGGZIFYUDY-LJQANCHMSA-N 309.434 4.878 30 20 DJED COc1ccc(CNc2cccc(C#N)c2C)cc1OCC(C)C 1657458451 HSPQXNSPYYOABP-UHFFFAOYSA-N 324.424 4.522 30 20 DJED C[C@H](N[C@@H]1CC[C@@](C)(c2ccccc2)C1)c1cccc(C#N)c1 1658897379 KGICLRJJWKKFIJ-ZLGUVYLKSA-N 304.437 4.719 30 20 DJED CC(CC1(C(=O)O)CCC1)=Nn1c2ccccc2c2ccccc21 1776112586 BFEUBWUHYQVRJC-UHFFFAOYSA-N 320.392 4.664 30 20 DJED N#Cc1ccc(CSc2ccc(Br)cc2)c(F)c1 37375156 QJSCJPUECILKGH-UHFFFAOYSA-N 322.202 4.752 30 20 DJED O=C1/C(=C\c2ccc3ncccc3c2)CSc2ccc(F)cc21 69124209 GQGCLXMYKOFCIG-ZROIWOOFSA-N 321.376 4.746 30 20 DJED CCCOc1cccc(CNc2cccc(OCCCC#N)c2)c1 75830604 PRIVDPDTFIMQNP-UHFFFAOYSA-N 324.424 4.770 30 20 DJED CCC[C@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1 171562820 ZZZYDBXBQIRFNB-JXFKEZNVSA-N 308.425 4.608 30 20 DJED C[C@@H]1C[C@@H]1[C@H](NCc1ccc(C#N)s1)c1ccc(Cl)cc1 176976736 NFCAKUBDMMUVLM-ZTFRIQLXSA-N 316.857 4.760 30 20 DJED C[C@H](NC[C@H](C#N)CCC#N)c1ccc(Cl)c2ccccc12 184923923 LNHFRGWQYSBNNE-KBPBESRZSA-N 311.816 4.587 30 20 DJED COc1cccc2c1CCC[C@H]2N[C@@H](CCC#N)c1ccccc1 194935248 ZZVNIRAXLJDIMF-VQTJNVASSA-N 320.436 4.707 30 20 DJED N#Cc1cccc(CSc2ccc(Br)cc2)c1F 222343554 NRFSKZJNWISYIU-UHFFFAOYSA-N 322.202 4.752 30 20 DJED N#Cc1cccc(C2(N[C@@H]3CCSc4ccc(F)cc43)CC2)c1 272310459 TUAGPKPSNOYYHR-QGZVFWFLSA-N 324.424 4.513 30 20 DJED CC(C)(C#N)c1ccccc1CN[C@H](c1ccccc1)C(F)F 292866891 WVEZUHMWEWKIGW-QGZVFWFLSA-N 314.379 4.584 30 20 DJED Cc1cccc(C)c1[C@@H](C)Nc1nc(C(F)(F)F)ccc1C#N 302205195 CULAPZDPAUMFPN-GFCCVEGCSA-N 319.330 4.762 30 20 DJED CCC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 325117269 ORYMBIHQLOLIFT-KUHUBIRLSA-N 323.396 4.658 30 20 DJED CC(C)(C#N)CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 429622220 NHHQCPRGXOVPLY-KRWDZBQOSA-N 312.457 4.587 30 20 DJED C[C@@H](NCC1(CC#N)CC1)c1ccc(Cl)c(Cl)c1Cl 430742289 LOGVVTMYRXDZCP-SECBINFHSA-N 317.647 4.991 30 20 DJED CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1cccc(C#N)c1C 431743942 YPEFRGQJYSQUHI-OAHLLOKOSA-N 321.424 4.699 30 20 DJED Cc1csc(NC(=O)c2ccc(C3=CCCC3)cc2)c1C#N 464581986 SSUZEIQUWOQHFP-UHFFFAOYSA-N 308.406 4.748 30 20 DJED N#Cc1ccc(SCC(=O)c2csc3ccccc23)cc1 475995014 FXOIGSKTWPUQMI-UHFFFAOYSA-N 309.415 4.748 30 20 DJED C=CC[C@@H](C(=O)Nc1cc(OC)c(C)cc1C)c1ccccc1 478574891 VHYVEQMMEALBGR-QGZVFWFLSA-N 309.409 4.610 30 20 DJED C=C(C)CCc1noc([C@H]2C[C@H]2c2ccccc2C(F)(F)F)n1 508614919 MFNUYYXKSSUJJP-STQMWFEESA-N 322.330 4.868 30 20 DJED N#CCc1ccc(CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1 511842187 GEIAUVWGQZFKDU-BHDDXSALSA-N 316.448 4.521 30 20 DJED N#Cc1nc(NCc2cccc(Cl)c2Cl)ccc1Cl 524620392 RQORABODDVZHTO-UHFFFAOYSA-N 312.587 4.526 30 20 DJED N#Cc1cccc(N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)n1 534395698 RXZRYIOGTBBHQX-OAHLLOKOSA-N 318.207 4.602 30 20 DJED C=C(C)CN(CC)C(=O)c1cccc(-c2ccccc2OCC)c1 537863450 CBOUJHAXIIKAKS-UHFFFAOYSA-N 323.436 4.791 30 20 DJED C[C@H](CCC(C)(C)C)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 544415048 IKYHYRFZYVHXOK-MRXNPFEDSA-N 324.468 4.636 30 20 DJED C=CCC(CC=C)c1nc(Cc2c[nH]c3c(C)cccc23)no1 546418772 ZJOWKXAJELFDRK-UHFFFAOYSA-N 307.397 4.686 30 20 DJED Cc1ccccc1[C@H](N[C@H]1CCc2ccc(C#N)cc21)C1CC1 562090453 TYWUQNYZHNLUNP-LEWJYISDSA-N 302.421 4.595 30 20 DJED CSc1ccc(-c2noc(CCCCCC#N)n2)c(Cl)c1 589135679 KOVFLACKXMQIJQ-UHFFFAOYSA-N 321.833 4.738 30 20 DJED N#CCCCCCC(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1 590918976 VDKVXFWCBXOOCA-HXUWFJFHSA-N 324.468 4.994 30 20 DJED C=CCN(C(=O)c1ccc(-c2ccccc2)[nH]1)c1ccccc1 599146290 PTMXTSSTFMCIRG-UHFFFAOYSA-N 302.377 4.515 30 20 DJED CCN(C(=O)[C@@H](C)c1cccc(C)c1)[C@H](C)c1ccc(C#N)cc1 610039032 SPGIFCBXKYDCOP-DLBZAZTESA-N 320.436 4.580 30 20 DJED Cc1cc(C#N)ccc1CN[C@@H](C)c1ccccc1OC(C)C 614407684 WVYSHGBEKLAHJJ-INIZCTEOSA-N 308.425 4.505 30 20 DJED CC(C)(C)c1ccc(C(=O)/C=C\c2cccc(OCC#N)c2)cc1 727744049 BOMLVQJXFMUOJM-GHXNOFRVSA-N 319.404 4.783 30 20 DJED C[C@H](C#N)Oc1ccc(/C=C2/CCCc3ccccc3C2=O)cc1 728695012 PQPILZJWKANVTQ-QLENYVDCSA-N 317.388 4.580 30 20 DJED Cc1cccc2c1C/C(=C/c1ccc(N3CCCCC3)cc1)C2=O 729150419 KEBSSTUJPXOZAA-JXAWBTAJSA-N 317.432 4.808 30 20 DJED COc1ccc(/C=C\C(=O)c2ccc(C)cc2OC)cc1Cl 741466883 BILTULKROGIPBQ-YVMONPNESA-N 316.784 4.562 30 20 DJED COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Cl 741471247 KOJVWEWPOSSUKN-QHHAFSJGSA-N 308.711 4.523 30 20 DJED CC(=NNc1ccc(Cl)cc1)c1c(C)nn(C(C)C)c1C 746485149 RWJHMOLESIZMLO-UHFFFAOYSA-N 304.825 4.570 30 20 DJED CCOc1ccc(Cl)cc1C(=O)/C=C\c1ccc(Cl)nc1 749005912 NUTFGALEDRGUME-UTCJRWHESA-N 322.191 4.683 30 20 DJED COc1ccc(/C=C\C(=O)c2cc3cc(C)c(C)cc3o2)cc1O 749132051 JDZBLEHPCQXRPL-XQRVVYSFSA-N 322.360 4.660 30 20 DJED Cc1cc2cc(C(=O)/C=C\c3cnc4ccccn34)oc2cc1C 749132996 SLQCTJHVBHPUEO-SREVYHEPSA-N 316.360 4.593 30 20 DJED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCC3CCC3)n2)cc1 750686412 FARVZZKMUPPXSF-MRXNPFEDSA-N 324.449 4.875 30 20 DJED FC(F)(F)c1ccccc1ON=Cc1c[nH]c2ccccc12 754712381 NRKWKJQLDLEGGF-UHFFFAOYSA-N 304.271 4.600 30 20 DJED CSc1ccc(C(=O)/C=C/c2ccc(O)c(F)c2)c(Cl)c1 765613494 MEGZKJOJVRTRQT-QHHAFSJGSA-N 322.788 4.803 30 20 DJED CCCCCCCC(=O)Nc1onc(C(F)(F)F)c1CC 773136002 FQOXJTIFTDCYPF-UHFFFAOYSA-N 306.328 4.555 30 20 DJED COc1ccc(-c2ccncc2)cc1C=NNc1cccc(C)c1 774313013 RIUPHKZGJPMMFP-UHFFFAOYSA-N 317.392 4.512 30 20 DJED CCCCCCCCC(=O)Nc1c(F)cc(C(C)=O)cc1F 777067058 DFIWYJJHDWYXNV-UHFFFAOYSA-N 311.372 4.857 30 20 DJED COc1ccc(/C=C/C(=O)c2ccnc(Cl)c2)c2ccccc12 782193994 KAIDCSDVEMSQBX-SOFGYWHQSA-N 323.779 4.793 30 20 DJED C#Cc1cccc(NC(=S)Nc2ccc(C3CCC3)cc2)c1 782420169 VZCZWDLIYWFQSM-UHFFFAOYSA-N 306.434 4.744 30 20 DJED C[C@H](ON=C(c1ccccc1)C(F)(F)F)c1cccc(C#N)c1 784671046 JFNZTRXOMDVQDX-LBPRGKRZSA-N 318.298 4.602 30 20 DJED CCC1(CC)Oc2ccc(NCC(C)(C)CCC#N)cc2O1 786830133 ANENVJFIOQEUHW-UHFFFAOYSA-N 302.418 4.716 30 20 DJED Cc1cc(NCc2ccc(O[C@@H](C)C#N)cc2)cc(C)c1Cl 799352630 YYGFRXKFLRQYJV-AWEZNQCLSA-N 314.816 4.860 30 20 DJED CC[C@H](OC(=O)CCCCCC#N)C(C)(C)c1ccccc1 805884831 AEQQEBWISBNQIA-KRWDZBQOSA-N 301.430 4.760 30 20 DJED CCc1nn(C)c(Cl)c1C=NNc1c(C)cccc1C(C)C 812232545 IXVMZMGCEYWKRN-UHFFFAOYSA-N 318.852 4.514 30 20 DJED C[C@@H](CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1)C1CCCCC1 842943796 YWOMPQWCZUQVTB-SWLSCSKDSA-N 316.470 4.803 30 20 DJED CCOc1ccc(C=NOCc2cccc3ccccc23)cc1 852209574 RQQYTZJSGFFDQC-UHFFFAOYSA-N 305.377 4.789 30 20 DJED CC(=NNc1ccccc1F)c1ccc(OC(F)(F)F)cc1 915958116 NNFLPPARWRGDOX-UHFFFAOYSA-N 312.266 4.560 30 20 DJED CCCCc1ccc(C(=O)/C=C\c2ccc(OC)c(O)c2)cc1 916133597 BRKXHOBFMHAORR-WQLSENKSSA-N 310.393 4.640 30 20 DJED CC[C@@H](NC(=O)CC1(C#N)CCCCC1)c1ccc(Cl)s1 1126156729 NUZSNVLXIQSWRL-GFCCVEGCSA-N 324.877 4.833 30 20 DJED C[C@H](OC(=O)c1ccc(-c2ccco2)s1)c1ccc(C#N)cc1 1126712319 FBNRKBALVFRZFT-LBPRGKRZSA-N 323.373 4.798 30 20 DJED Cc1ccc([C@H](CC(F)(F)F)N[C@H](C)CC(C)(C)C#N)cc1 1180594646 UZTHIQGLTWYVPS-HIFRSBDPSA-N 312.379 4.907 30 20 DJED COc1cc2ccccc2cc1CNc1cccc(C#N)c1C 1308421681 WHDIKCSUBRXUJC-UHFFFAOYSA-N 302.377 4.641 30 20 DJED C=C(C)[C@@H](NCc1ccc(F)c(OC)c1)c1ccc(F)c(F)c1 1321387137 PHDXXEBHEUWWME-GOSISDBHSA-N 321.342 4.520 30 20 DJED CCc1cc(C#N)c(NC(=O)C2(c3ccc(C)cc3)CCC2)s1 1351204088 LCTNFMNBFNCIEJ-UHFFFAOYSA-N 324.449 4.551 30 20 DJED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)CCC(C)(C)C 1357640620 IOQPFSUVQZQQAB-CQSZACIVSA-N 316.445 4.746 30 20 DJED CC[C@H](C)CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 1434914490 DDTUZUKLXGDCAB-AWEZNQCLSA-N 308.381 4.725 30 20 DJED CCC(C#N)(CC)C(=O)NCC1(C2CCCCC2)CCCCC1 1435748746 MPPNKYPLSJBBIY-UHFFFAOYSA-N 318.505 4.963 30 20 DJED N#Cc1ccc(CCN[C@@H](c2ccc(F)cc2)C2CCCC2)cc1 1459883142 YJWIEAUGOLCFRJ-OAQYLSRUSA-N 322.427 4.761 30 20 DJED CC(C)[C@@H](Cc1ccccc1)C(=O)O[C@@H](C)c1ccc(C#N)cc1 1524301268 GMKIZSHBQCWTBI-OXJNMPFZSA-N 321.420 4.677 30 20 DJED N#Cc1ccc(C2=CCN([C@@H]3CCCc4ccccc43)CC2)cc1 1559715262 VPPUUVHQAFVODM-JOCHJYFZSA-N 314.432 4.725 30 20 DJED C[C@H](NC(=O)c1ccccc1CC(C)(C)C)c1cccc(C#N)c1 1584319967 BRAFUFCYYLRPNO-HNNXBMFYSA-N 320.436 4.638 30 20 DJED CCCC[C@@H](CC)CCCN(C)C(=O)c1ccc(C#N)cc1F 1587746787 CYPVVSSRQNTGTF-OAHLLOKOSA-N 318.436 4.766 30 20 DJED C[C@H](SCc1ccc(OCC#N)cc1)c1ccccc1F 1640883770 OJHAEILLGWYYKC-ZDUSSCGKSA-N 301.386 4.722 30 20 DJED CC[C@@H]1CN([C@@H](C#N)c2ccccc2)CC[C@H]1c1ccccc1 1641976932 KYDVNKOCMFRQOA-UIFIKXQLSA-N 304.437 4.767 30 20 DJED CCc1cc(OC)ccc1CN(CC)[C@@H](C)c1ccc(C#N)cc1 1651931812 DZVLBYGBUXJKNC-INIZCTEOSA-N 322.452 4.712 30 20 DJED Cc1nc(N(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)ccc1C#N 1655231828 MKXNAAZVGXGKRC-TZMCWYRMSA-N 313.832 4.544 30 20 DJED CCc1ccc2ccccc2c1CNc1ccc(C#N)c(C)n1 1655835494 YGZUTFGXTWWBDU-UHFFFAOYSA-N 301.393 4.589 30 20 DJED CC(C)(C#N)c1ccccc1CN(CC1CC1)c1ccccc1 1657650335 CXFSBNCULUWKTO-UHFFFAOYSA-N 304.437 4.904 30 20 DJED CC(C)[C@H](CN[C@@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 1658042652 HPYZPJYGUSUNPF-QGTPRVQTSA-N 304.865 4.752 30 20 DJED Cc1cc(CNc2cccc(C#N)c2C)ccc1Br 1658050281 XYKUOGMCTBBCLD-UHFFFAOYSA-N 315.214 4.550 30 20 DJED Cc1cc(F)c(C(F)(F)F)cc1N[C@@H](C)CC(C)(C)C#N 1659373824 YSQFIEZPRPMONG-JTQLQIEISA-N 302.315 4.893 30 20 DJED N#Cc1ccccc1-c1ccc(COc2ccccc2C=O)cc1 23444402 HRVJGKNFFQWFQR-UHFFFAOYSA-N 313.356 4.617 30 20 DJED COc1ccc2cc(/C=C\C(=O)c3ccc(C#N)cc3)ccc2c1 33474187 PLQYBUZTIZTHNX-WZUFQYTHSA-N 313.356 4.616 30 20 DJED CCN(CCO[C@@H]1CCCC[C@@H]1C)[C@@H](C)c1ccc(C#N)cc1 60469663 SDEHIFHHPUJGAQ-ABSDTBQOSA-N 314.473 4.536 30 20 DJED C=CCNC(=O)Nc1ccc(N[C@H](CC)c2ccccc2)cc1 112520617 NUZKCGKTFBLRGU-GOSISDBHSA-N 309.413 4.557 30 20 DJED C=C(C)CN(CC)C(=O)Nc1ccccc1CCC(F)(F)F 126041163 DQOYUHCOIGEBCI-UHFFFAOYSA-N 314.351 4.611 30 20 DJED C[C@H](c1cccs1)N(C)Cc1cccc(OCCCC#N)c1 157817093 PEULBEWORJQTFI-OAHLLOKOSA-N 314.454 4.624 30 20 DJED C=CCCCCCN(C)C(=O)Nc1ccccc1CSC 184824034 STKFGXSVMGOWAH-UHFFFAOYSA-N 306.475 4.760 30 20 DJED C[C@H](SCc1cc(-c2ccco2)on1)c1cccc(C#N)c1 190794012 DDYRDWCBJNBMJJ-LBPRGKRZSA-N 310.378 4.801 30 20 DJED C[C@H](Nc1ncc(C#N)cc1Cl)c1c(F)cccc1Cl 301493421 QMTAXVBRNUSPKL-QMMMGPOBSA-N 310.159 4.572 30 20 DJED Cc1ccccc1Nc1nc(COc2ccc(C#N)cc2)cs1 301607176 XBPBATKVXHRSCR-UHFFFAOYSA-N 321.405 4.646 30 20 DJED C[C@@H]1CC(C)(C)CC[C@H]1Nc1ccc(C#N)c(Br)c1 311660422 JTAZWPRNFZPRLC-IAQYHMDHSA-N 321.262 4.947 30 20 DJED Cc1ccc(C2(C/N=C(/O)c3ncoc3C3CC3)CCC2)cc1C 329072680 OHQSMXGZEIIOHJ-UHFFFAOYSA-N 324.424 4.595 30 20 DJED C[C@H]1C[C@@H](C)C[C@H](C(O)=Nc2nc(C3CCOCC3)cs2)C1 329180057 DGJNVDHSKUFRPZ-IMRBUKKESA-N 322.474 4.697 30 20 DJED N#CC1(CSCc2coc(-c3cccc(Cl)c3)n2)CCC1 419376214 ASAGHKKWMMGFPE-UHFFFAOYSA-N 318.829 4.922 30 20 DJED Cc1c(C(=O)N[C@@H](C)c2ccccc2)sc2ccc(C#N)cc12 428002437 XIQTVWKXGFVHPX-ZDUSSCGKSA-N 320.417 4.572 30 20 DJED C=CCC[C@H](NC(=O)NCc1ccc(C)s1)c1ccccc1 434964926 RWRCHZYLPXEGBY-KRWDZBQOSA-N 314.454 4.563 30 20 DJED CC[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 439526272 ZPIRCLMAMIUCHL-FRYIKTPZSA-N 324.468 4.501 30 20 DJED Cc1cccn2cc(CS[C@H](C)c3cccc(C#N)c3)nc12 443136086 QKGRIQJZORQEJW-CQSZACIVSA-N 307.422 4.509 30 20 DJED Cc1cccc([C@H](NCCCCC(C)(C)C#N)C(F)(F)F)c1 444689737 OSYRAXFREQIVKS-HNNXBMFYSA-N 312.379 4.908 30 20 DJED N#CC(CCSc1ncco1)(c1ccccc1)c1ccccc1 446076044 DGESJMDUZGJGQQ-UHFFFAOYSA-N 320.417 4.667 30 20 DJED Cc1ccccc1[C@H](NC(=O)CCCC#N)[C@@H]1CCC[C@H](C)C1 462076138 STFGTWQDABFXLD-XAUMDUMWSA-N 312.457 4.673 30 20 DJED CC(C)[C@H]1CCc2ccccc2[C@H]1NCc1ccc(C#N)s1 462553741 QJSSXUKKINGFII-MJGOQNOKSA-N 310.466 4.669 30 20 DJED N#C[C@@H]1CCC[C@@H](NCCc2cccc(-c3ccccc3)c2)C1 463240032 HPEXBXSSDXQMMU-WIYYLYMNSA-N 304.437 4.568 30 20 DJED C=CCC(CC=C)C(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 467820736 ZXUBQZZUVXICOX-RDTXWAMCSA-N 313.441 4.662 30 20 DJED CC(C)CN(CCCCOC(C)(C)C)Cc1ccc(C#N)cc1 475052613 DJBGOBDLQDFGGI-UHFFFAOYSA-N 316.489 4.612 30 20 DJED C=CCCCC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 479561691 VQTBLOSMLZADQD-UHFFFAOYSA-N 306.365 4.645 30 20 DJED CCCCCn1cc(CNc2cc(Cl)ccc2C#N)c(C)n1 502799716 OZLGGMFDMGQHQV-UHFFFAOYSA-N 316.836 4.519 30 20 DJED C=CCCN(C)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 505104652 LLQUCQMASYPCKP-UHFFFAOYSA-N 323.314 4.614 30 20 DJED CC(C)c1ccsc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 506194082 YPRRBFBBJHKSLO-UHFFFAOYSA-N 312.438 4.925 30 20 DJED N#Cc1c(F)cccc1N1CCC[C@@H]1c1ccccc1Cl 506870891 AKKXDGPQSYXUEJ-MRXNPFEDSA-N 300.764 4.692 30 20 DJED CC(C)(C#N)CCN[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 527328929 COUKZNNRGYQYKL-HZPDHXFCSA-N 324.390 4.871 30 20 DJED CC(C)(C)c1nc2cc(NCc3cc(C#N)cs3)ccc2o1 532730656 MDFCXXMCILZJLQ-UHFFFAOYSA-N 311.410 4.671 30 20 DJED C=C[C@@H](CC(=O)N1CCCSc2ccccc21)c1ccccc1 534745184 LNDMZMOMAIZYDU-INIZCTEOSA-N 323.461 4.875 30 20 DJED C=CCC[C@@H](N[C@H]1CCc2ccc(OC)cc21)c1ccccc1 537949011 OPLMEXMSBOPUHY-RTWAWAEBSA-N 307.437 4.980 30 20 DJED Cc1c(Cl)cnc(N[C@@H]2CCSc3ccccc32)c1C#N 542279968 DSZBMDJPYRUVLX-CQSZACIVSA-N 315.829 4.564 30 20 DJED N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1sccc1Cl 555015159 UBVTYTSEIUNCPM-ZBFHGGJFSA-N 316.857 4.673 30 20 DJED N#CCCC1CCN(Cc2c(Cl)oc3ccccc23)CC1 592517283 SLPPBSDSIPPJHP-UHFFFAOYSA-N 302.805 4.602 30 20 DJED CC(C)OCc1cccc(-c2ccc3c(CC#N)c[nH]c3c2)c1 592986064 KVAKVVTXGWNCGD-UHFFFAOYSA-N 304.393 4.826 30 20 DJED CC(C)[C@H](CC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccccc1 610359263 HJEDCRKIFOOHBT-UZLBHIALSA-N 320.436 4.565 30 20 DJED C[C@H](N[C@H]1CCCc2ccc(Cl)cc21)c1cccc(C#N)c1 611193008 GVZNOFPVKAEAKI-DJJJIMSYSA-N 310.828 4.940 30 20 DJED CCc1ccc([C@@H](CC)N[C@@H]2CCc3cc(C#N)ccc32)cc1 618803039 GRCYZNIGAOHKEB-NHCUHLMSSA-N 304.437 4.849 30 20 DJED CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)C1CCCCC1 726426245 TYKAUBNAWYUJMQ-UHFFFAOYSA-N 309.335 4.945 30 20 DJED COc1cccc(/C=C\C(=O)c2ccc(-c3ccncc3)cc2)c1 745990187 MYODIVBIYTUJOR-YHYXMXQVSA-N 315.372 4.653 30 20 DJED O=C(/C=C/c1cccc(-c2ccccn2)c1)c1cccc(F)c1 747698132 JEXWMGXOGFNJKE-ZHACJKMWSA-N 303.336 4.784 30 20 DJED CCc1ccc(C(=O)/C=C/c2ccc(Cl)nc2Cl)s1 761479984 YVTKZSCGRYCGED-ZZXKWVIFSA-N 312.221 4.908 30 20 DJED Cc1ccccc1[C@@H](CC(F)(F)F)/N=C/c1cccc(O)c1O 766283949 OUJCLPDHBMNDNX-YVJZOELXSA-N 323.314 4.519 30 20 DJED CC(C)Cc1ccc(C[S@](=O)CCCCC(C)(C)C#N)cc1 766873514 OFHFQESFKGRLFH-JOCHJYFZSA-N 319.514 4.854 30 20 DJED CC[C@@H](C#N)Oc1cccc(CN[C@H](C)CCC=C(C)C)c1 772985223 UNHBDTWFDDASJY-AEFFLSMTSA-N 300.446 4.592 30 20 DJED CC[C@H](C#N)Oc1cccc(CNCC[C@H](C)c2ccccc2)c1 775027868 LVLIBCMLXSSUDS-FXAWDEMLSA-N 322.452 4.651 30 20 DJED CC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1OC 776727299 VHSNEKAZXNBNFZ-UGSOOPFHSA-N 312.388 4.508 30 20 DJED Cc1c(C(=O)/C=C\c2ccc(Cl)c(F)c2)cnn1C(C)(C)C 787187568 WYLGSCPPJHVJBB-VURMDHGXSA-N 320.795 4.635 30 20 DJED CC(/C=C\C(=O)c1cccc(CN(C)C)c1)=C\c1ccccc1 821023000 WYZXGILQZMOHNF-XGTYQIHLSA-N 305.421 4.591 30 20 DJED CC(C)CCCCC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 838797571 NWMZPTHXMMUQKF-CYBMUJFWSA-N 318.417 4.828 30 20 DJED CCCCCCCC(=O)N1CCCCC[C@@H]1c1ccncc1 915870269 KSKXREKJKJVONN-GOSISDBHSA-N 302.462 4.886 30 20 DJED Cc1cc(C)cc(Oc2ccc(NC(=O)CC(C)(C)C#N)cc2)c1 1125321893 PISBQMMXMVEGOZ-UHFFFAOYSA-N 322.408 4.974 30 20 DJED CC(C)(C)c1ccc(C#N)c(OCc2ccc(Cl)s2)n1 1189574158 JLZXVFOFKYVMNI-UHFFFAOYSA-N 306.818 4.545 30 20 DJED Cc1cc(C#N)cc(NCc2nc(-c3cccs3)oc2C)c1 1202805487 QLVHIQDYGHLOMC-UHFFFAOYSA-N 309.394 4.504 30 20 DJED CCc1cc(C#N)c(NC(=O)c2ccc([C@@H](C)CC)cc2)s1 1264756239 XBJOOTNJCRLWFW-LBPRGKRZSA-N 312.438 4.948 30 20 DJED CC[C@H](Cc1ccccc1)N(CC)Cc1cccc(F)c1C#N 1308592743 ANFBWFQGMKWKNJ-GOSISDBHSA-N 310.416 4.541 30 20 DJED CCC[C@@H]1CCCC[C@H]1CNC1CC(C#N)(c2ccccc2)C1 1308820194 JYZXZUMVHGQGLD-BDWAOYLISA-N 310.485 4.806 30 20 DJED CCCN(Cc1ccc(C#N)cc1)C(=O)C1[C@@H]2CCCCCC[C@@H]12 1354424057 RYSOCPQXVDRCJP-RTBURBONSA-N 324.468 4.513 30 20 DJED CCc1nnc(NC2CCC(CC)(CC)CC2)c(C#N)c1CC 1458358366 ULDGLFMLQSEGLH-UHFFFAOYSA-N 314.477 4.634 30 20 DJED CC(C)(C)c1cc(NC(=O)CCC2CCCC2)c(C#N)s1 1521110022 KGFXFCSHQGTYSK-UHFFFAOYSA-N 304.459 4.826 30 20 DJED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccccc2Oc2ccccc2)C1 1525049835 YTMRZTJOSNLNEZ-NVXWUHKLSA-N 321.376 4.718 30 20 DJED N#CC1(CC(=O)N[C@@H](C2CCCCC2)C2CCC2)CCCCC1 1526531917 BNFLYTHAQKBOHH-IBGZPJMESA-N 316.489 4.716 30 20 DJED N#Cc1ccc(SCC=C(Cl)Cl)cc1C(F)(F)F 1613667531 KAXKYXOKEVSURX-UHFFFAOYSA-N 312.143 4.988 30 20 DJED CCCCN(C(=O)Nc1ccc(C#N)c(F)c1)C1CCCCC1 1625418668 VPFFBBXCLCPVII-UHFFFAOYSA-N 317.408 4.664 30 20 DJED C=C(Br)CN(CCC)Cc1c(F)cccc1Cl 1644449616 FKCFULWQBOUCMT-UHFFFAOYSA-N 320.633 4.600 30 20 DJED N#C[C@H]1CCCN(Cc2ccc(Sc3ccccc3)cc2)C1 1653090822 DVVGGOJKPIGGQR-QGZVFWFLSA-N 308.450 4.573 30 20 DJED COc1ccc([C@H](C)Sc2nc(C#N)c(Cl)s2)cc1 1655036138 PEVVJPYHESIVPR-QMMMGPOBSA-N 310.831 4.530 30 20 DJED C[C@H](c1ccc(C#N)cc1)N(C)Cc1cccc2ccccc12 1656993192 YYTQWJYJMMJKFZ-MRXNPFEDSA-N 300.405 4.904 30 20 DJED Cc1ccc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1Cl 1658899435 QPHNCOXYDLTFPP-ICSRJNTNSA-N 324.855 4.920 30 20 DJED Cc1ccc(C[C@@H](C#N)Sc2ncc(C(C)(C)C)o2)cc1 130361221 BHOSAEIWJBVRDJ-AWEZNQCLSA-N 300.427 4.508 30 20 DJED CSc1ccc(C(=O)/C=C\c2cc(F)c(F)c(F)c2)cc1 141151033 BZGWKNKUFIGYJI-UQCOIBPSSA-N 308.324 4.722 30 20 DJED C=CCOc1ccccc1CN[C@@H](C)c1cnc2ccsc2c1 161522462 MDIAZHGROMPEIL-AWEZNQCLSA-N 324.449 4.712 30 20 DJED N#Cc1csc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)c1 176836892 KLBVUNPUDSKZJF-SNAWJCMRSA-N 307.296 4.535 30 20 DJED C#CCCCCC(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 179946482 NORAQOGBJUXARE-QGZVFWFLSA-N 320.436 4.992 30 20 DJED Cc1noc(C)c1/C=C/C(=O)c1cc(Cl)sc1Cl 195402828 WSGQZDIGDWSVIO-ONEGZZNKSA-N 302.182 4.556 30 20 DJED COc1ccccc1-c1ccc(/C=C\C(=O)c2cccnc2)cc1 255047041 VXPAVZVTYHGMNC-RAXLEYEMSA-N 315.372 4.653 30 20 DJED CC[C@@](C)(C#N)C(=O)Nc1cccc(CSC(C)C)c1C 285458894 AFCUXLCVTAYGRU-KRWDZBQOSA-N 304.459 4.515 30 20 DJED N#Cc1csc(CNc2cccc(OCc3ccccc3)c2)c1 309930816 ZBHDUOZANOFZNG-UHFFFAOYSA-N 320.417 4.811 30 20 DJED O/C(=N/C1(Cc2ccccc2)CCCCC1)c1ncoc1C1CC1 329133434 POMZQNFKNBCLLU-UHFFFAOYSA-N 324.424 4.802 30 20 DJED CC(C)(CC1CCCCCC1)/N=C(/O)[C@@H]1CCCc2n[nH]cc21 329943982 DWIKHRIABWDTNM-OAHLLOKOSA-N 317.477 4.925 30 20 DJED CCc1ccccc1CNc1c(C#N)cnc2c(F)cc(F)cc12 354354782 WAJVEEXLEMPABB-UHFFFAOYSA-N 323.346 4.559 30 20 DJED C[C@H](N[C@@H](CC(F)F)c1ccccc1)c1ccc(C#N)c(F)c1 421866493 ALOYWGHBCKDUNQ-SJCJKPOMSA-N 318.342 4.744 30 20 DJED CCN(C(=O)c1sc2ccc(C#N)cc2c1C)c1ccccc1 429824319 GDPANPOUBWLHBS-UHFFFAOYSA-N 320.417 4.748 30 20 DJED C=CCC(C)(C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 429927095 RBJMHGACBMZZKM-JTQLQIEISA-N 300.229 4.773 30 20 DJED COc1cc(CN[C@H](c2cccc(C)c2)C(C)(C)C)ccc1C#N 440608714 FGUWSDJFWNLLIY-HXUWFJFHSA-N 322.452 4.752 30 20 DJED N#CCc1ccc(NCCCc2c(F)cccc2Cl)cc1 446768861 ONTWHNDFUKJNQD-UHFFFAOYSA-N 302.780 4.590 30 20 DJED C[C@H](Cc1ccccc1C(F)(F)F)NC1CCC(C)(C#N)CC1 449233196 XUUAGBDERPNAFU-BZOOQXSSSA-N 324.390 4.698 30 20 DJED Cc1ccc(Sc2ccc(NC(=O)[C@H](C)C#N)cc2)c(C)c1 468207044 ZGTLGOHJNQLBTN-CQSZACIVSA-N 310.422 4.553 30 20 DJED C=C(C)CN(C)C(=O)c1cc(C)ccc1SC1CCCC1 479269580 CNXNJOBNXXFAMJ-UHFFFAOYSA-N 303.471 4.678 30 20 DJED C=C(C)[C@@H](NC(=O)N(CC)[C@H](C)C(C)C)c1ccc(F)c(F)c1 483288628 HVHIAMLTPRHQPS-CXAGYDPISA-N 324.415 4.658 30 20 DJED C=CCn1cccc1C(=O)Nc1ccccc1Cc1ccccc1 490137948 CZBAXJRJCGEOGJ-UHFFFAOYSA-N 316.404 4.517 30 20 DJED C=CCn1c(S[C@@H](C(C)=O)c2ccccc2)nc2ccccc21 510969525 RMUHHFNDLREOKC-SFHVURJKSA-N 322.433 4.645 30 20 DJED C=CCCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)CC1 512961471 RTTYLTNACKEACL-REPLKXPHSA-N 309.453 4.670 30 20 DJED CC(C)(C#N)c1ccc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)cc1 525068129 YSHVXMNOCDKMRR-ROUUACIJSA-N 310.441 4.643 30 20 DJED CC1(C)Cc2cccc(NCc3ccccc3C(C)(C)C#N)c2O1 530489395 HCEVAZMQWIMCQA-UHFFFAOYSA-N 320.436 4.813 30 20 DJED C=C(C)COc1cccc(NCc2cnc(C3CCC3)s2)c1 532887081 LJKLZVXYJPWFQS-UHFFFAOYSA-N 314.454 4.978 30 20 DJED C[C@H](NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(C#N)c1 538393517 NCWAGHQJNZPWJZ-NOLJZWGESA-N 310.363 4.578 30 20 DJED C=CCC[C@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1ccccc1 540151086 NWBOANPGLVZSDR-YJBOKZPZSA-N 309.409 4.773 30 20 DJED N#Cc1ccc(C(=O)Nc2cccc3ccccc23)cc1Cl 548607210 IIUYDBCZQXYCSH-UHFFFAOYSA-N 306.752 4.617 30 20 DJED C=CCC(C)(C)c1noc(-c2cccc(-c3ccccn3)c2C)n1 551144248 ACXFNDMFILQGLE-UHFFFAOYSA-N 319.408 4.961 30 20 DJED CC(C)[C@@H](NCc1ccc(C#N)cn1)c1ccc(C(C)(C)C)cc1 560236577 ZJHQREFOMUDOQH-HXUWFJFHSA-N 321.468 4.738 30 20 DJED C[C@@]1(C#N)CCCN(C(=O)Nc2cccc(-c3ccccc3)c2)C1 588342481 ZAOXBDVIRHNHFC-FQEVSTJZSA-N 319.408 4.511 30 20 DJED N#CC1(CCSCc2noc3c2CCCC3)CCCCC1 591382585 VLWHDVDOAKDZIS-UHFFFAOYSA-N 304.459 4.651 30 20 DJED Cc1sc(NC(=O)[C@H](C)c2ccc(Cl)cc2)c(C#N)c1C 593003788 POYMFCQYQFYDNY-SNVBAGLBSA-N 318.829 4.632 30 20 DJED N#CCC1(CSCc2ccccc2OCC(F)(F)F)CC1 596347306 MNWLZVJQPNSTIV-UHFFFAOYSA-N 315.360 4.555 30 20 DJED N#CC1(c2cccc(-c3ccccc3C(F)F)c2)CCOCC1 596637802 PEXGPXDDZOGFQT-UHFFFAOYSA-N 313.347 4.863 30 20 DJED CCc1c(C)sc(NC(=O)C[C@H](C)c2ccccc2)c1C#N 609032962 HTOJEHNMAPCEDL-LBPRGKRZSA-N 312.438 4.623 30 20 DJED N#CCc1ccccc1NC(=O)c1cc2c(s1)CCCCCC2 619864895 BSWKJDFAFGRCFL-UHFFFAOYSA-N 324.449 4.725 30 20 DJED C=CCOc1ccc(C(=O)N(C)c2cccc(C(C)C)c2)cc1 619995689 KFQJLTOMSQLORI-UHFFFAOYSA-N 309.409 4.651 30 20 DJED CC(C)[C@@H](C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 733095676 LWDNMNIOVVLGAO-BEFAXECRSA-N 306.409 4.573 30 20 DJED CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1cncs1 734744610 URBGVIVXIFEOJC-UHFFFAOYSA-N 320.632 4.939 30 20 DJED Clc1ccc([C@H]2CCCC2=NNc2ccc(Cl)nn2)cc1 741453502 RDZHFFOSBJGGPG-GFCCVEGCSA-N 321.211 4.519 30 20 DJED C#Cc1cccc(N(Cc2ccco2)C(=O)CC(C)(C)CC)c1 744512350 LDRMKPGWPGVWJZ-UHFFFAOYSA-N 309.409 4.620 30 20 DJED C#Cc1cccc(NC(=O)[C@@H](C)c2c(Cl)cccc2Cl)c1 751073564 VJCJODCDRZQBAB-NSHDSACASA-N 318.203 4.717 30 20 DJED Brc1ccccc1NN=Cc1ccccc1C1CC1 751131764 YDZJSXQONMNCKV-UHFFFAOYSA-N 315.214 4.773 30 20 DJED CCOC(=O)Nc1ccc(N[C@@H](C)c2cccc(C)c2)cc1C#N 752797449 RWUBGQRKIHMUGB-AWEZNQCLSA-N 323.396 4.608 30 20 DJED C#CCCCC(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 758283352 OUDUFWNVWRCRGE-UHFFFAOYSA-N 315.775 4.888 30 20 DJED O=C(/C=C/c1ccc(C(F)(F)F)s1)c1ccc(F)cc1F 761476301 GMZRRIQBOWFNOG-GORDUTHDSA-N 318.266 4.941 30 20 DJED O=C(/C=C\c1cccnc1Cl)c1cc2c(s1)CCCC2 764433356 PMMPRRMQWYKYLN-FPLPWBNLSA-N 303.814 4.571 30 20 DJED CCCCCCC[C@@H](C)CNC(=O)Nc1c(C)nn(CC)c1C 772500064 QQEGKCQKTIVFRE-CQSZACIVSA-N 322.497 4.638 30 20 DJED Cc1cc2ccccc2nc1NN=C[C@@H]1CCOc2ccccc21 776782856 LYPJGBVZNXQIFB-INIZCTEOSA-N 317.392 4.507 30 20 DJED O=C(/C=C/c1ccc(Cl)nc1Cl)c1ccc(Cl)s1 779357623 IGKIIJYYWVZGJI-HNQUOIGGSA-N 318.612 4.999 30 20 DJED O=C1/C(=C/c2ccc3cnccc3c2)[C@H]2CCCc3cccc1c32 782350767 DHQUMPVYTVLVCR-BAOGCXAUSA-N 311.384 4.935 30 20 DJED C[C@@H](ON=Cc1cccc(Cl)c1Cl)c1cccc(C#N)c1 794712673 CFFAATVYGWSOLU-LLVKDONJSA-N 319.191 4.977 30 20 DJED CCc1cccc(C)c1NN=C(C)c1cnn(C(C)(C)C)c1C 799493433 BLVNEEFROOLDFU-UHFFFAOYSA-N 312.461 4.653 30 20 DJED N#Cc1ccccc1C(=O)/C=C/c1cc(F)cc(C(F)(F)F)c1 799499802 OLPRLPPIBJIKRV-AATRIKPKSA-N 319.257 4.612 30 20 DJED CCC(=NNc1c(C)cccc1C(C)C)c1c(C)nn(C)c1C 812232832 MUTSBCXMYAXXAN-UHFFFAOYSA-N 312.461 4.695 30 20 DJED CC[C@H](C)c1ccc(C(=O)/C=C/c2cn(C)nc2C(F)F)cc1 863196967 BSXUQABDHYFGBZ-VMPCVLLUSA-N 318.367 4.767 30 20 DJED COc1cc(OC)c(C(=O)/C=C/c2ccc(C)cc2)cc1Cl 916154851 XOLOFPLQWWTKAK-CMDGGOBGSA-N 316.784 4.562 30 20 DJED C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C\c1ccccc1 916564173 AUERQHCTKNKWDO-FLIBITNWSA-N 317.841 4.630 30 20 DJED CCCCCCCCC(=O)N[C@H]1CCOc2c(F)cccc21 919708443 YGYBLGCRJWCCTP-INIZCTEOSA-N 307.409 4.516 30 20 DJED C#CCCCCCC(=O)Nc1ccccc1COC(C)(C)C 928392450 WQVXTOJRCLUPMX-UHFFFAOYSA-N 301.430 4.524 30 20 DJED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 1124922732 VMKPIEXXBWGNAF-PMOLBWCYSA-N 324.468 4.512 30 20 DJED CC[C@@H](C)CC(=O)Nc1sc2c(c1C#N)CCCCCC2 1125197628 QCBYTQOMEVVKOH-GFCCVEGCSA-N 304.459 4.653 30 20 DJED CCCCN(C(=O)c1ccc(C)c(C#N)c1)[C@@H]1CCC[C@H](C)C1 1129306365 YQMZSLXXUJAPGC-HNAYVOBHSA-N 312.457 4.688 30 20 DJED Cc1ccc2ncc(CN(C)[C@@H](C)c3cccc(C#N)c3)cc2c1 1171399391 GWSYESSTNAZFHR-INIZCTEOSA-N 315.420 4.608 30 20 DJED CCOc1ccc(C#N)cc1NCc1cc2cccc(CC)c2o1 1178901351 QGAZBCWXEDILGE-UHFFFAOYSA-N 320.392 4.878 30 20 DJED C[C@@H]1CSC[C@@H]1Nc1ccc(Oc2ccccc2)c(C#N)c1 1181112863 NOGSZBRLRBNFII-DYVFJYSZSA-N 310.422 4.514 30 20 DJED CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C#N)s1)CCC2 1267076473 PMFJANRNADDHTP-KRWDZBQOSA-N 324.449 4.551 30 20 DJED C[C@H](Cc1ccccc1Cl)c1nnc(-c2ccc(C#N)cc2)o1 1326061145 RZUJHQQISVSJAH-GFCCVEGCSA-N 323.783 4.608 30 20 DJED C[C@H](OC(=O)c1ccc(C2CCC2)cc1)c1cccc(C#N)c1 1355926131 WYPAQGGPYDWODA-AWEZNQCLSA-N 305.377 4.744 30 20 DJED CC1(C)CC[C@H](CNc2cccc(F)c2C#N)c2ccccc21 1458268393 SEJFTAYXIUVAQL-CQSZACIVSA-N 308.400 4.964 30 20 DJED CC(C)(C)c1ccc2c(c1)CCN2Cc1ccc(C#N)cc1F 1462141458 RVGNKPQGAGPDDN-UHFFFAOYSA-N 308.400 4.558 30 20 DJED Cc1cccc2cc(C(=O)O[C@H](C)c3cccc(C#N)c3)sc12 1518211274 JQSSFSPUMZZBIQ-CYBMUJFWSA-N 321.401 4.999 30 20 DJED CC[C@H](C)[C@H](C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 1518341693 BZPUVWXBWJSBSQ-GJZGRUSLSA-N 322.408 4.971 30 20 DJED CCCN(C(=O)c1ccc(C)c(C#N)c1)[C@@H](CC)c1ccccc1 1533156095 SGVUNBBCQMJNLE-FQEVSTJZSA-N 320.436 4.870 30 20 DJED Cc1cccc(C2(CNc3ccc(C#N)c(C)n3)CCCCC2)c1 1559072928 JJZIVOLTBPUYLG-UHFFFAOYSA-N 319.452 4.884 30 20 DJED CC[C@@H](Sc1nc(C)cc(C)c1C#N)c1ccc(F)cc1 1613189918 CDHHHGHNZQHJSC-MRXNPFEDSA-N 300.402 4.953 30 20 DJED Cc1c(Cl)cccc1-n1ccnc1S[C@@H](C)CCC#N 1613369916 CQNQDDOGQKABEF-NSHDSACASA-N 305.834 4.619 30 20 DJED CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CCCC[C@H]1CC 1629454585 ANQCFTNBCAVSOX-CVEARBPZSA-N 313.445 4.535 30 20 DJED CCOc1cccc(Cl)c1CN(CCC#N)CC(C)(C)C 1644669079 CDYYNSPQWYTZEG-UHFFFAOYSA-N 308.853 4.500 30 20 DJED C[C@@H](Nc1ccc(C#N)cn1)[C@H](C)c1ccccc1C(F)(F)F 1650880784 GBGSTOPYRWJFKJ-NWDGAFQWSA-N 319.330 4.576 30 20 DJED N#Cc1ccc(CCN2CCC[C@H]2CCCc2ccccc2)cc1 1653778715 RXBWAGDQETUTJO-JOCHJYFZSA-N 318.464 4.588 30 20 DJED N#Cc1cc(Cl)ccc1CN1CC[C@@H]1c1ccc(Cl)cc1 1654428164 SVYXGIHGQCOXJG-QGZVFWFLSA-N 317.219 4.812 30 20 DJED CCC(=NNc1ccc(Cl)c(C(=O)O)c1)c1cccc(C)c1 1776033854 PWZYCQMMWTZJRX-UHFFFAOYSA-N 316.788 4.573 30 20 DJED CC(CCCCCCC(=O)O)=NNc1cccc2c1CCCC2 1776036375 FFWVYUFGABUIJU-UHFFFAOYSA-N 316.445 4.778 30 20 DJED CC(=NNc1ccc(F)c(C(=O)O)c1)c1ccc2ccccc2c1 1776061673 IXONJIMNYBHDCF-UHFFFAOYSA-N 322.339 4.513 30 20 DJED C[C@@H]1CC(=Nn2c3ccccc3c3ccccc32)CC[C@@H]1C(=O)O 1776112944 QNDGBEZCOXRMSR-HIFRSBDPSA-N 320.392 4.519 30 20 DJED O=C(/C=C/c1cccc(O)c1)c1ccc(-c2ccccc2)cc1 8381645 HLYAAUDVFXWWHF-NTEUORMPSA-N 300.357 4.955 30 20 DJED CCCCOc1ccc(/C=C/C(=O)c2ccccc2)cc1OC 40144964 ILKOHVKDJFWFOL-ZRDIBKRKSA-N 310.393 4.770 30 20 DJED Cc1c([C@@H](C)Nc2snc(Cl)c2C#N)oc2ccccc12 52432470 MYYFUYUYMXMJBC-SECBINFHSA-N 317.801 4.896 30 20 DJED C=CCN(Cc1ccccc1F)C(=O)c1sccc1C(C)C 65104724 VZBRKGUXXALXOF-UHFFFAOYSA-N 317.429 4.839 30 20 DJED C[C@@H]1CCC[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)C1 76837849 LYSZYMYYPJURGF-FVQBIDKESA-N 324.449 4.813 30 20 DJED CC(C)Oc1ccc(CN[C@H](CCC#N)c2ccccc2)cc1 130502182 WJNYPIYRCVSQGL-HXUWFJFHSA-N 308.425 4.608 30 20 DJED N#Cc1ccc(CNc2cccc(C3SCCS3)c2)s1 158316612 VZXUBDASEOMXPT-UHFFFAOYSA-N 318.492 4.710 30 20 DJED N#CCCCCNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 178894388 ADNCLKGTKVVZET-UHFFFAOYSA-N 324.268 4.508 30 20 DJED Cc1c(Cl)cc(NC(=O)C2(C#N)CCCCC2)cc1Cl 195704739 RZSHIAGTUOFYAF-UHFFFAOYSA-N 311.212 4.714 30 20 DJED COc1ccc(/C=C\C(=O)c2cccc3ccccc23)cc1OC 211363629 SWGANARTVNJICR-BENRWUELSA-N 318.372 4.753 30 20 DJED C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc(C#N)c(F)c1 271911347 AOKNIENRNHDOJL-CQSZACIVSA-N 323.371 4.553 30 20 DJED C[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccc(C#N)c1 301345053 KABMGTCTXUJPEY-LLVKDONJSA-N 315.298 4.622 30 20 DJED C=C(C)CN(CC)C(=O)CS[C@H](C)c1ccc(Cl)cc1 302965354 HDOUENURVCQLAA-CYBMUJFWSA-N 311.878 4.559 30 20 DJED C[C@H](CC1CCCCC1)/C(O)=N/[C@@H]1CCC(O)=NC12CCC2 328759609 WWGRSFNWPJRNQY-UKRRQHHQSA-N 306.450 4.591 30 20 DJED C[C@H](/N=C(/O)[C@@H]1CC12CCCC2)c1nc(C2CCCCC2)no1 329983361 BCNBRBDXPKVIRW-JSGCOSHPSA-N 317.433 4.715 30 20 DJED N#CCC[C@H](NC(=O)c1cccc(C2CCC2)c1)c1ccccc1 336976884 XSLYUUFOGLSHHE-FQEVSTJZSA-N 318.420 4.729 30 20 DJED Cc1ccc(C2CC(N[C@@H](CCC#N)c3ccccc3)C2)cc1 341342073 IFMIPVMPEPRRRT-CBNMVNINSA-N 304.437 4.876 30 20 DJED C=CC[C@@H](CC)NC(=O)CCCc1csc2ccccc12 410119814 KECLHXRNJJEMJC-OAHLLOKOSA-N 301.455 4.695 30 20 DJED C[C@H](c1ccc2c(c1)CCC2)[S@](=O)CCCCC(C)(C)C#N 417206273 JPRBQIYNSZHEMW-IVZQSRNASA-N 317.498 4.705 30 20 DJED C=CCCO[C@@H](C)c1nc(-c2cccc(SCC)c2)no1 426576436 KJHDCCWBCUCRSK-LBPRGKRZSA-N 304.415 4.502 30 20 DJED C=CCC[C@H](Nc1ccc2nc(N(C)C)oc2c1)c1ccco1 428449615 SPMKNQHJNKGOSJ-AWEZNQCLSA-N 311.385 4.606 30 20 DJED C[C@H](SCc1ncccc1C(F)(F)F)c1cccc(C#N)c1 432246639 OCFOAULHUBOLCW-NSHDSACASA-N 322.355 4.966 30 20 DJED CC[C@H](C)[C@H](C(=O)Nc1cccc(C#N)c1C)c1ccccc1 432835942 KHELWPHBCFOLSS-LIRRHRJNSA-N 306.409 4.635 30 20 DJED C[C@@H](c1cccc(C#N)c1)N1CC[C@H](CSc2ccccc2)C1 442669389 AYRMPEHNJQYXEC-WMZOPIPTSA-N 322.477 4.733 30 20 DJED Cc1ccc(C#N)cc1NC(=O)N(CCC(C)C)C1CCCC1 444393229 RVHQDAKIZCVTRL-UHFFFAOYSA-N 313.445 4.689 30 20 DJED CCC[C@@]1(C)CCCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 476230324 ZAFMZEOODGGBKW-ICSRJNTNSA-N 312.457 4.503 30 20 DJED C=CCCC1(C(=O)Nc2cc(-c3ccccc3)cnc2C)CC1 476517808 XMSZPKXORHKBPV-UHFFFAOYSA-N 306.409 4.742 30 20 DJED C=CCOCCCSCc1nc(-c2cccs2)oc1C 479597349 AIPYIKNTILOFSR-UHFFFAOYSA-N 309.456 4.537 30 20 DJED N#C[C@H](NC(=O)C1=CCCCCC1)c1cccc(Cl)c1Cl 481869522 DRWYKAKMCJOEKD-AWEZNQCLSA-N 323.223 4.565 30 20 DJED CCC(CC)CN(CCC#N)C(=O)c1oc2ccccc2c1C 517873927 IAAOKZFRPHRUDA-UHFFFAOYSA-N 312.413 4.533 30 20 DJED N#Cc1ccc(CSc2ncnc3sccc23)c(Cl)c1 525878024 OQGZCHSSNOCKQO-UHFFFAOYSA-N 317.826 4.509 30 20 DJED C[C@H](N[C@H](C)c1ccc2ccccc2n1)c1ccc(C#N)cc1 531951320 BADPQEJXTJSYAP-LSDHHAIUSA-N 301.393 4.518 30 20 DJED CC(C)c1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)s1 546183292 YJXZUDDZQZHINC-ZDUSSCGKSA-N 318.829 4.520 30 20 DJED C=CC[C@@H](C(=O)Nc1cccc2ccncc12)c1ccccc1 547960572 LWFPJQIUYJFBMH-QGZVFWFLSA-N 302.377 4.533 30 20 DJED CC(C)[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 557517110 DONPAURCXGHPPC-RTWAWAEBSA-N 304.437 4.923 30 20 DJED CCOc1ccc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 557518174 VIEVFRJGXFLGAB-YCRPNKLZSA-N 320.436 4.685 30 20 DJED C=CC[C@@H]1N(C(=O)c2cnc3ccsc3c2)CCCC1(C)C 571105142 CDTTXKLZHQINTD-INIZCTEOSA-N 314.454 4.503 30 20 DJED N#CCCCCN1CCC(c2c(Cl)cccc2Cl)CC1 575781841 OOHYNABICKWLSM-UHFFFAOYSA-N 311.256 4.867 30 20 DJED COc1cc(F)c(F)cc1N[C@H](C)c1ccc(C#N)cc1Cl 578179191 KVXQLTCUUGNCHG-SECBINFHSA-N 322.742 4.672 30 20 DJED N#CCc1ccc(NC(=O)[C@H]2CCCC[C@H]2C2CC2)c(Cl)c1 583085861 QGGMVSRUKXJIMX-GJZGRUSLSA-N 316.832 4.561 30 20 DJED CN(Cc1ccccc1-c1ccccc1)C(=O)CCCCCC#N 588155586 OUGHVMOVWXSLIF-UHFFFAOYSA-N 320.436 4.786 30 20 DJED Cc1[nH]c2ccccc2c(=NC(=O)CCCCCC#N)c1C(C)C 588967805 WUHURFRDWZPHND-UHFFFAOYSA-N 323.440 4.501 30 20 DJED CC(F)(F)CCC(=O)Nc1sc(-c2ccccc2)cc1C#N 603968612 GNMUVBCIFXHJPB-UHFFFAOYSA-N 320.364 4.661 30 20 DJED C=CCCCCCN(C)C(=O)c1ccc(F)c(C(F)(F)F)c1 606816639 HMNQQEKJEABGNM-UHFFFAOYSA-N 317.326 4.663 30 20 DJED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(C)c(Cl)c1 642196696 CSYGQOWPZIPLQO-UHFFFAOYSA-N 314.816 4.869 30 20 DJED C[C@H]1/C(=C\c2ccsc2)C(=O)c2cccc(Br)c21 742435284 SKURIMMACGAGDJ-SZUMLMDFSA-N 319.223 4.894 30 20 DJED N#Cc1ccc2c(c1)CC/C(=C\c1ccc3ccccc3c1)C2=O 742437744 QRHUQHCVMDBNTJ-UDWIEESQSA-N 309.368 4.924 30 20 DJED CC(CCc1ccccc1)=NNc1nc(C(F)(F)F)cs1 755906340 XTODKFFQAHRAII-UHFFFAOYSA-N 313.348 4.583 30 20 DJED CCc1oc2ccccc2c1C=NNc1cc(F)cc(OC)c1 759209182 AYSPCLGBNFFAIC-UHFFFAOYSA-N 312.344 4.589 30 20 DJED C#Cc1cccc(N(CC)C(=O)c2cccc(-c3ccoc3)c2)c1 760447022 LBNSDFVCDQZWIK-UHFFFAOYSA-N 315.372 4.595 30 20 DJED O=C1/C(=C/c2ccc3ncccc3c2)[C@H]2CCCc3cccc1c32 763291364 XJOJIYQRNSLRJS-HNMKQIAWSA-N 311.384 4.935 30 20 DJED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(F)CCCC2)cc1 772161732 KRDVSINYVKLNJO-GOSISDBHSA-N 322.383 4.563 30 20 DJED C#CCCCCC(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 773190087 NMKHLBZWVLTWLL-JTQLQIEISA-N 316.203 4.503 30 20 DJED COC[C@@H](/N=C/c1cc(Cl)ccc1O)c1ccc(Cl)cc1 775234415 RCSFAMZAIAEONL-VTNJTDAWSA-N 324.207 4.506 30 20 DJED CC(C)(C#N)c1ccccc1CSCc1ccc2c(c1)COC2 778050622 ABCYPOYCJGLXIZ-UHFFFAOYSA-N 323.461 4.951 30 20 DJED Cc1c(C(=O)/C=C/c2ccc(Cl)c(F)c2)cnn1C(C)(C)C 787187567 WYLGSCPPJHVJBB-SOFGYWHQSA-N 320.795 4.635 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2sccc2Cl)c(Cl)c1 788360914 PEAPVVMSSITFCZ-ONEGZZNKSA-N 308.189 4.823 30 20 DJED CCCCOc1ccc(C(=O)/C=C\c2scnc2C)cc1 789157890 QKURRZSXVRJAFQ-KTKRTIGZSA-N 301.411 4.527 30 20 DJED C=CCCCCC[C@@H](C)NCc1nc(C(F)(F)F)cs1 793532272 GZDDMLOFUQSTOA-LLVKDONJSA-N 306.397 4.777 30 20 DJED COc1cccc(O)c1C=Nc1ccc(-c2ccncc2)c(C)c1 793654959 MWXPLDVTYLHDHR-UHFFFAOYSA-N 318.376 4.522 30 20 DJED FC(F)Oc1ccc(NCCC(F)(F)F)cc1C(F)(F)F 795048272 BRCBKFKGWMGFSV-UHFFFAOYSA-N 323.183 4.671 30 20 DJED C#CCCCCC(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 799086410 ACDWYFJQNJWMTF-HDJSIYSDSA-N 324.251 4.549 30 20 DJED COc1ccc(/C=C2/CSc3ccc(F)cc3C2=O)cc1C 810228284 FDFQORZLVAHCSH-JYRVWZFOSA-N 314.381 4.515 30 20 DJED c1nc(NN=C2CCC3(CCCC3)CC2)c2ccsc2n1 811635906 QEWHGYWNDAPMIF-UHFFFAOYSA-N 300.431 4.594 30 20 DJED CCCCCCCCC[C@@H](C)CC(=O)N1CCC[C@H](O)CC1 819318820 UXPBAENJDUMVRY-MSOLQXFVSA-N 311.510 4.527 30 20 DJED N#Cc1ccnc(CSCc2csc(C3CCCC3)n2)c1 901758551 NHDKTCWLJZZVSN-UHFFFAOYSA-N 315.467 4.501 30 20 DJED Fc1ccc(C=Nn2cnc3ccccc32)cc1-c1cccs1 917540757 CBQIQYTWMATRPR-UHFFFAOYSA-N 321.380 4.786 30 20 DJED C/C(=C/c1nnc(-c2cccc(C#N)c2)o1)c1ccccc1Cl 1117260929 BQONUQXIVMCSCF-XFXZXTDPSA-N 321.767 4.822 30 20 DJED CC(C)C[C@@H]1CCCN(Cc2cc(Cl)ccc2OCC#N)C1 1168144685 FXWDQECQASFKGB-HNNXBMFYSA-N 320.864 4.500 30 20 DJED Cc1nc(N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)ccc1C#N 1186707016 ZUHBPWCHGMPWHW-PBHICJAKSA-N 311.816 4.663 30 20 DJED CC(C)c1ccccc1Nc1ccc(C(=O)N[C@@H](C)CC#N)cc1 1293253342 LFQFONBAKDGVJQ-HNNXBMFYSA-N 321.424 4.586 30 20 DJED CCc1cc2c(N[C@H](C)c3ccc(C#N)cc3)nc(C)nc2s1 1306944239 GWOBEFCEKCGALW-LLVKDONJSA-N 322.437 4.607 30 20 DJED N#Cc1ccc(SCCc2ccc(F)c(F)c2)c(Cl)c1 1307317711 KKCONUTVKLTLGQ-UHFFFAOYSA-N 309.768 4.825 30 20 DJED Cc1cc(C#N)ccc1CN1CCC[C@@H]1/C=C\c1ccccc1 1308122688 PVIYBGILWMOFIM-JQZHBYGZSA-N 302.421 4.545 30 20 DJED C[C@H](CNc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 1308656768 NMAOTYZIGVDACD-GFCCVEGCSA-N 304.315 4.793 30 20 DJED CC[C@@H](Cc1ccccc1C)C(=O)O[C@H](C)c1cccc(C#N)c1 1355925941 HDMNPFUYHUUGHX-AEFFLSMTSA-N 321.420 4.740 30 20 DJED Cc1cccc(C)c1CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 1459534725 XTDFJROEICICMO-FPOVZHCZSA-N 304.437 4.575 30 20 DJED C/C(=C\Cl)CSCc1ccc(C#N)cc1OC(F)F 1473021869 RJGREGBHLZHKLE-WEVVVXLNSA-N 303.761 4.535 30 20 DJED CCC[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1524133445 HCBPNYGBJNUPNA-CQSZACIVSA-N 308.381 4.725 30 20 DJED Cc1cccc([C@H](NC(=O)c2ccc(C#N)cc2F)C(C)(C)C)c1 1534697779 QGIDMUDQJAIJLL-SFHVURJKSA-N 324.399 4.523 30 20 DJED C[C@H](C(=O)Nc1cc2ccccc2cc1C#N)c1ccccc1F 1535800071 NYWBKQCSOSLUQG-ZDUSSCGKSA-N 318.351 4.593 30 20 DJED CC(C)c1ccc2c(c1)[C@@H](NC(=O)CC1(C#N)CCCCC1)CC2 1539381207 KDOYMLITGVTBMI-IBGZPJMESA-N 324.468 4.778 30 20 DJED CCc1cccc(CC)c1-n1ccnc1S[C@@H](C)CCC#N 1613523352 BNTNYARQDLRUGN-AWEZNQCLSA-N 313.470 4.781 30 20 DJED N#Cc1c(SC2CCCC2)nc2c(c1-c1ccco1)CCC2 1640747749 SLJXCUCBRMXZBG-UHFFFAOYSA-N 310.422 4.737 30 20 DJED C=C(CNCc1ccc(C(F)(F)F)cc1C)c1ccccc1 1649117622 KWEMHHAWLCHILI-UHFFFAOYSA-N 305.343 4.817 30 20 DJED Cc1c(Cl)cnc(N[C@H]2c3ccccc3CC[C@@H]2C)c1C#N 1650912463 NAXCFNBSRBNEOO-APPDUMDISA-N 311.816 4.651 30 20 DJED CCSCc1ccc(Nc2nc(Cl)c(C#N)s2)cc1 1651072974 YUNALUBZKUUQLA-UHFFFAOYSA-N 309.847 4.665 30 20 DJED CCCCc1ccc(C(C)=NNc2cccc(C(=O)O)c2)cc1 1776036808 WTCCKSIPOYABOY-UHFFFAOYSA-N 310.397 4.564 30 20 DJED CCC(=NNc1cccc(C(=O)O)c1C)c1cccc(Cl)c1 1776086386 RHTXINAJXWDRGB-UHFFFAOYSA-N 316.788 4.573 30 20 DJED COc1ccc2cc(C(=O)/C=C/c3ccc(C#N)cc3)ccc2c1 5128974 FLDGFGRHJVUFFW-IZZDOVSWSA-N 313.356 4.616 30 20 DJED C=CCN(Cc1cccs1)C(=O)c1cc(C)c(CC)s1 60678129 CEHPUBZHTGDJJM-UHFFFAOYSA-N 305.468 4.509 30 20 DJED C=C(C)CN(CC)C(=O)NCc1ccccc1Oc1ccccc1 63404384 FOHATJUUAOOMFU-UHFFFAOYSA-N 324.424 4.587 30 20 DJED N#Cc1ccc(F)c(CNc2ccc3c4c(cccc24)CC3)c1 97039522 ASGGQZKCIXHEJO-UHFFFAOYSA-N 302.352 4.561 30 20 DJED CSc1ccsc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 107107889 MTBPMPKQKVJXLO-UHFFFAOYSA-N 316.451 4.523 30 20 DJED C=CCC(CC=C)C(=O)Nc1cccc(C2SCCS2)c1 121382814 SPWAAXWACVMMPY-UHFFFAOYSA-N 319.495 4.872 30 20 DJED C[C@@H](NCCCCC#N)c1ccc(SCC(F)(F)F)cc1 178640804 RWHPSFNXCRQWKA-GFCCVEGCSA-N 316.392 4.685 30 20 DJED C=C(C)[C@@H](NCc1cccc2cccnc12)c1ccc(F)c(F)c1 187375444 ZFIPVXNOCKLDKX-LJQANCHMSA-N 324.374 4.920 30 20 DJED CCC(C)(C)N(CCC#N)C(=O)c1cc2cc(C)c(C)cc2o1 189922430 ACRDLIYJNLRDMD-UHFFFAOYSA-N 312.413 4.594 30 20 DJED C#CCCCC(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 192368482 XRVXVTTWJSAXNP-UHFFFAOYSA-N 317.310 4.513 30 20 DJED COc1cccc(/C=C\C(=O)c2cc(C)c(C)cc2C)c1OC 205777804 BPJMSNLYXJLSLM-KTKRTIGZSA-N 310.393 4.525 30 20 DJED COc1cccc(C=Nc2cc(-c3ccncc3)ccc2C)c1O 255418370 FBZUQEGYBZHFIM-UHFFFAOYSA-N 318.376 4.522 30 20 DJED Cc1ccsc1C(=O)Nc1ccccc1SC[C@H](C)C#N 264570597 UNJBHMIXWVRRDF-LLVKDONJSA-N 316.451 4.561 30 20 DJED C=C(C)[C@@H](CC(=O)Nc1ccccc1-c1ccccc1)OCC 270114143 KGANBVVHYAQLLW-LJQANCHMSA-N 309.409 4.663 30 20 DJED N#C[C@H]1CC[C@@H](Sc2nnc(-c3cccc4ccccc34)o2)C1 278485467 AKEQSZLLAOMGFO-GXTWGEPZSA-N 321.405 4.674 30 20 DJED N#Cc1cccnc1N[C@@H](c1ccccc1)c1cccc(Cl)c1 301122136 XJQGXAIRXZDGDI-SFHVURJKSA-N 319.795 4.808 30 20 DJED CCO[C@H](C)c1ncc(/C(O)=N/C2(C)CCC(C)CC2)s1 330901308 BAXUHTXDXNOIQA-BWBHSNQOSA-N 310.463 4.514 30 20 DJED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cc2cc(F)ccc2o1 418139165 DPPUEUUISRYNSA-IBGZPJMESA-N 320.367 4.611 30 20 DJED C[C@@H](NCc1cccc(F)c1C#N)c1cccc2ccccc12 428308231 YPCSFWXIPYTDCW-CQSZACIVSA-N 304.368 4.701 30 20 DJED C=CC(C)(C)C(=O)Nc1cccc(COC(C)(C)CC)c1C 450116554 QSFIMASIUUNXOZ-UHFFFAOYSA-N 303.446 4.851 30 20 DJED C=C(C)CN(C)C(=O)Nc1cccc(CSC2CCCC2)c1 477611304 JFEYCCZVBDVLRV-UHFFFAOYSA-N 318.486 4.902 30 20 DJED C=CCCCC(=O)N(Cc1cccs1)c1ccc(F)cc1 480878538 GBFTYGMZLQURME-UHFFFAOYSA-N 303.402 4.777 30 20 DJED Cc1nc(Oc2cc(Cl)ccc2C#N)c2c(C)csc2n1 500739367 ITMHNBLJHCXTMX-UHFFFAOYSA-N 315.785 4.626 30 20 DJED C[C@@H](Nc1cn(C)nc1C1CCCCC1)c1cccc(C#N)c1 521973071 HJFAKYCIFQHMLD-CQSZACIVSA-N 308.429 4.513 30 20 DJED N#CC1(CSCC/C=C/c2ccc(Br)cc2)CC1 537314997 YVTDFEWKPSXTOK-HNQUOIGGSA-N 322.271 4.889 30 20 DJED CC(C)C[C@@H](NCCCSCC#N)c1ccc(Cl)cc1 539296519 BZBFQWAUFCMPHN-MRXNPFEDSA-N 310.894 4.664 30 20 DJED N#Cc1cc(Cl)ccc1CSc1ncnc2sccc12 548149087 PICQQHGUZDCRLR-UHFFFAOYSA-N 317.826 4.509 30 20 DJED C=CCCC1(c2nc([C@H](F)c3ccc(Cl)cc3)no2)CC1 579763021 OCFNAONVLLPSHJ-CYBMUJFWSA-N 306.768 4.780 30 20 DJED C=C1CCN(C(=O)c2sc3cc(C)ccc3c2Cl)CC1 594846409 RTYYCDQWOCQWLS-UHFFFAOYSA-N 305.830 4.655 30 20 DJED C=C(C)CN(CC)C(=O)N[C@H](C)c1cccc(Cl)c1Cl 605236123 KNRIIUZSBQTYAF-LLVKDONJSA-N 315.244 4.662 30 20 DJED C=CCCCSCC(=O)N(Cc1ccccc1)C(C)(C)C 609804717 BQVNQQYSZOXFKE-UHFFFAOYSA-N 305.487 4.513 30 20 DJED Cc1ccc(C)c2c1CCC[C@@H]2N[C@H](C)c1cccc(C#N)c1 611387259 ITKLDZIMJZDTAZ-UZLBHIALSA-N 304.437 4.903 30 20 DJED C=C(C)[C@@H](Nc1ccc([N+](=O)[O-])s1)c1ccc(F)c(F)c1 613892926 ZKAGOCOLXUJOCX-CQSZACIVSA-N 310.325 4.664 30 20 DJED CC(C)c1csc([C@H](C#N)C(=O)c2ccc(C3CC3)cc2)n1 659114471 CKIAATKQDUERSN-OAHLLOKOSA-N 310.422 4.634 30 20 DJED C[C@H](CC(C)(C)C#N)NCc1cccc(OCc2ccccc2)c1 695864785 OQBMGRDDRSQQMQ-QGZVFWFLSA-N 322.452 4.684 30 20 DJED COc1ccc(/C=C2/Cc3c(Cl)cccc3C2=O)cc1Cl 741468456 TUCDFUSPHAOOSF-XFFZJAGNSA-N 319.187 4.824 30 20 DJED O=C1/C(=C/c2ccc(C(F)(F)F)cc2)CCc2c(O)cccc21 742434557 JVLSGFGXTJUTPN-ZRDIBKRKSA-N 318.294 4.624 30 20 DJED COCc1cccc(C=NNc2ccc(Cl)c(Cl)c2)c1 743435452 IFCXPGZWGMIDCV-UHFFFAOYSA-N 309.196 4.586 30 20 DJED O=C(/C=C\c1cccc(O)c1)c1cc(Cl)ccc1OC(F)F 748441961 OCYQEFZMFKYNOA-XQRVVYSFSA-N 324.710 4.543 30 20 DJED C#CC[C@H](NC(=O)Nc1ccc(Cl)cc1C)c1ccccc1 757760901 KTJYVUCFBQBRMT-KRWDZBQOSA-N 312.800 4.535 30 20 DJED C#CCCCC(=O)N(c1ccc(Nc2ccccc2)cc1)C(C)C 758124942 IOIZZUNKOWYGDJ-UHFFFAOYSA-N 320.436 4.975 30 20 DJED C[C@H](C=NNc1ncnc2sccc12)c1cccc(Cl)c1 763359118 JLFQQWDTSIROJF-SNVBAGLBSA-N 316.817 4.546 30 20 DJED CSc1ccc(C(=O)/C=C/c2scnc2C)c(Cl)c1 765606400 VYYLOFLCMLZCNS-AATRIKPKSA-N 309.843 4.723 30 20 DJED C=CC[C@@H](N[C@H](C)c1ccc2c(c1)CCCC2)c1ccncc1 766020136 OXMYFHOLEOASMR-IIBYNOLFSA-N 306.453 4.928 30 20 DJED CC(C)Oc1ccc(NCc2cnc(C(C)C)s2)cc1C#N 779603595 HUGJYTOTIRNTPC-UHFFFAOYSA-N 315.442 4.537 30 20 DJED FC(F)(F)c1csc(NN=C2CC(c3ccccc3)C2)n1 814867484 GJBBEDCIIIXLJH-UHFFFAOYSA-N 311.332 4.507 30 20 DJED C=CC(C)(C)CC(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 878809611 JICUDUUIYVCGOT-UHFFFAOYSA-N 316.445 4.520 30 20 DJED CC[C@H](NCc1oc2ccccc2c1OC)c1cccc(C#N)c1 902969157 CEYGIPZKEJPSQJ-KRWDZBQOSA-N 320.392 4.554 30 20 DJED CCCOc1ccc(/C=C\C(=O)c2ccccc2)cc1OCC 916134514 SUTVLLGHWMFEHF-BENRWUELSA-N 310.393 4.770 30 20 DJED CCCOc1ccc(/C=C2\Cc3ccccc3C2=O)cc1OCC 916137291 YIAJLGOEYMZLRY-SFQUDFHCSA-N 322.404 4.697 30 20 DJED Cc1nn(-c2ccccc2)c(C)c1C=NNc1cccc(Cl)c1 916268317 YEFDNHWTVAXDOW-UHFFFAOYSA-N 324.815 4.589 30 20 DJED CC1=CC(=NNc2ncnc3sc(C)c(C)c23)CC(C)(C)C1 916309331 IWKYSRHMFLGXGI-UHFFFAOYSA-N 314.458 4.842 30 20 DJED CCCCCCCCn1nc(C2CC2)cc(C(F)(F)F)c1=O 917566582 LPLPYTQMRNBCIP-UHFFFAOYSA-N 316.367 4.500 30 20 DJED C=CCCc1ccccc1NC(=O)N(Cc1ccoc1)C1CC1 931290116 IJHUXESBEGFULA-UHFFFAOYSA-N 310.397 4.595 30 20 DJED CCC[C@H](C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C(C)C 1124214444 TXIAQUJTAKAJEU-OLZOCXBDSA-N 318.486 4.755 30 20 DJED CCN(C(=O)c1cccc(C2CC2)c1)[C@@H](C)c1ccc(C#N)cc1 1125145786 JETRQXOYADXWLJ-HNNXBMFYSA-N 318.420 4.659 30 20 DJED CC[C@H](C)[C@@H](C)C(=O)Nc1sc(-c2ccccc2)cc1C#N 1125171948 DWLHSAAOABIBLA-QWHCGFSZSA-N 312.438 4.907 30 20 DJED CN(Cc1c(Cl)cccc1Cl)c1cccc(F)c1C#N 1162286939 ZXDFKUMFZQKPSQ-UHFFFAOYSA-N 309.171 4.641 30 20 DJED N#Cc1c(F)cccc1N1CCC[C@@H]1Cc1ccccc1Cl 1185034570 ATOJCMPCZWEKHT-CQSZACIVSA-N 314.791 4.562 30 20 DJED Cc1ccc(C[C@@H](C#N)S[C@H]2CCc3ccccc3C2)cc1 1189702371 MFLPGZKIZZZHPE-PMACEKPBSA-N 307.462 4.720 30 20 DJED CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1scc(C(C)(C)C)c1C#N 1274507107 CYLQHMFTJOFBDL-SJKOYZFVSA-N 304.459 4.538 30 20 DJED CN(Cc1cccc(C#N)c1F)[C@@H]1CCCC[C@@H]1c1ccccc1 1307844225 QQKADTRATPPHAG-WOJBJXKFSA-N 322.427 4.856 30 20 DJED CC[C@H](Sc1ccccc1)c1nnc(-c2ccc(C#N)cc2)o1 1322505034 WYXYSAIRYPFRPU-INIZCTEOSA-N 321.405 4.852 30 20 DJED N#Cc1cccc(NC(=O)c2cc3cccc(Cl)c3s2)c1 1351936917 LWYBEIFTKCRQAK-UHFFFAOYSA-N 312.781 4.679 30 20 DJED CC[C@H](CC1CCCC1)C(=O)N(CCC#N)c1ccc(C)cc1 1442736380 VWTJTTPAIVHBQK-GOSISDBHSA-N 312.457 4.848 30 20 DJED C[C@H]1C[C@@H](C(=O)Nc2cc(C(C)(C)C)sc2C#N)CC[C@H]1C 1458455792 REQGCZCRCUJNLS-AGIUHOORSA-N 318.486 4.928 30 20 DJED Cc1cc(C#N)ccc1CN1[C@@H](C)c2ccc(F)cc2C[C@H]1C 1459772991 FEOHQSGJRITZHN-CABCVRRESA-N 308.400 4.514 30 20 DJED N#Cc1ccc(C(F)(F)F)nc1N(CC1CCCCC1)C1CC1 1472664697 RTRXHIKPMMSIDQ-UHFFFAOYSA-N 323.362 4.521 30 20 DJED CCCC[C@@H](Nc1cc(C)c(C#N)cn1)c1ccc(OC)cc1 1559098339 SWDZXEZFLXKCDA-GOSISDBHSA-N 309.413 4.614 30 20 DJED CC[C@@H](NCCC1(C#N)CCCCC1)c1ccc(F)cc1F 1559693159 AEKLLIALYNKEBB-QGZVFWFLSA-N 306.400 4.870 30 20 DJED C=C(CNC(=O)N1CCCC[C@@H]1c1ccccc1)c1ccccc1 1564881869 FFPZOHLUUAIJGZ-HXUWFJFHSA-N 320.436 4.637 30 20 DJED Cc1ccc2c(c1)N(c1c(C#N)cnc3c(Cl)cccc13)CC2 1611873190 ZNARBEVCEXQDRD-UHFFFAOYSA-N 319.795 4.763 30 20 DJED Cc1nc(N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)ccc1C#N 1612500900 WKDSCDYLCFZAKD-PBHICJAKSA-N 311.816 4.663 30 20 DJED N#Cc1ccsc1NC(=O)NC1CCC2(CCCCC2)CC1 1626074300 OWSVDAVDOVKGAR-UHFFFAOYSA-N 317.458 4.634 30 20 DJED CC[C@H]1CN(Cc2ccc(C#N)cc2C)CC[C@@H]1c1ccccc1 1657515592 PGGLQWFUQGJTFV-UGKGYDQZSA-N 318.464 4.882 30 20 DJED C[C@@H](C#N)CN(C)Cc1c(Cl)cccc1Oc1ccccc1 1658521247 FDALOEIJYKJNOT-AWEZNQCLSA-N 314.816 4.724 30 20 DJED CC(C)C[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 1672795053 WZMMEMNQGYKNIK-CYBMUJFWSA-N 319.836 4.502 30 20 DJED Cc1c(NN=C2C[C@H](c3ccccc3)C2(C)C)cccc1C(=O)O 1776087716 RSKMRXAERJEDLA-MRXNPFEDSA-N 322.408 4.675 30 20 DJED N#Cc1ccc(N[C@H]2CCSc3c(F)cccc32)cc1Cl 37253417 AAILZHVFZCFOPP-HNNXBMFYSA-N 318.804 5.000 30 20 DJED CC(C)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1 59269899 LZBWHJVIUYBZLS-BJMVGYQFSA-N 302.320 4.648 30 20 DJED N#Cc1ccc(OCc2csc(C3CCCC3)n2)c(Cl)c1 64032066 DEAGPERNLHWLLH-UHFFFAOYSA-N 318.829 4.905 30 20 DJED C[C@H](N[C@H](C)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 78973427 BYUZEEHXYUNOMJ-QWHCGFSZSA-N 318.342 4.989 30 20 DJED C=CCC[C@H](CC)N[C@@H](C)c1nc(-c2ccncc2)cs1 90045946 VSZXTBITWAQHJO-ZFWWWQNUSA-N 301.459 4.601 30 20 DJED N#Cc1cccc(Cl)c1-c1nc2ccnc(Cl)c2s1 94568713 OLSOCAMNGYJROY-UHFFFAOYSA-N 306.177 4.537 30 20 DJED CCc1ccc(CNc2ccc(C#N)c(C(F)(F)F)c2)s1 113710077 GEMSZTRROBUMFQ-UHFFFAOYSA-N 310.344 4.813 30 20 DJED CCc1noc(C)c1CSCc1ccccc1C(C)(C)C#N 134099666 QKHWOSHEYSXINQ-UHFFFAOYSA-N 314.454 4.780 30 20 DJED C[C@@H](C#N)CSc1ccccc1NCC#Cc1ccc(F)cc1 135574570 SKLFIVHSJKTHGF-HNNXBMFYSA-N 324.424 4.541 30 20 DJED Cc1cc(C)cc([C@H](C)N[C@H](C)c2ccc(OCC#N)cc2)c1 180536933 JJWPSEMHLUMAIC-SJORKVTESA-N 308.425 4.618 30 20 DJED Cc1ccc(-c2ncc(CNc3ccc(CC#N)cc3)s2)cc1 185150596 BPOKDCBWKKYQPB-UHFFFAOYSA-N 319.433 4.797 30 20 DJED O=C(/C=C\c1ccc(N2CCCCC2)cc1)c1ccc(F)cc1 212553130 KZQQJYACBCKNIG-MLPAPPSSSA-N 309.384 4.712 30 20 DJED Cc1c(N=Cc2c(O)ccc3ccccc23)cccc1[N+](=O)[O-] 252461400 LYALSHAOEFCDPS-UHFFFAOYSA-N 306.321 4.513 30 20 DJED O=C(/C=C/c1ccc(Cl)cc1)c1c(Cl)nc2ccccn12 303696638 AHWUAWIUWMXTDD-RMKNXTFCSA-N 317.175 4.537 30 20 DJED CCC[C@H](Nc1ccc(C#N)c(Br)c1)C1CCC1 322347301 CNKOEXUURKMRGB-HNNXBMFYSA-N 307.235 4.701 30 20 DJED N#CCC[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccccc1 339481539 CVLXFFCWVWKHFN-AFYVEPGGSA-N 324.468 4.754 30 20 DJED N#CC1(CCN2CCC(OCC3CCCC3)CC2)CCCCC1 411326899 IBMMYSPQOKINPU-UHFFFAOYSA-N 318.505 4.522 30 20 DJED CC[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1cccs1 426153304 LZPZMLBKHJCGJB-GFCCVEGCSA-N 319.817 4.546 30 20 DJED C[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 443549152 FRZLXKPMYCTNNI-GDBMZVCRSA-N 313.445 4.578 30 20 DJED COc1ccccc1C[C@H](NCCCCC(C)(C)C#N)C(C)C 444681774 WOCCZKQMSCXEDE-SFHVURJKSA-N 316.489 4.572 30 20 DJED CC(C)(C#N)CCCCN[C@@H](c1ccc(F)cc1)C(F)(F)F 444692986 CUPMDCBTJINMOU-AWEZNQCLSA-N 316.342 4.739 30 20 DJED Cc1ccccc1[C@H](NC(=O)Nc1cccc(CC#N)c1)C(C)C 455909835 BYHYUTJAIVXTRY-LJQANCHMSA-N 321.424 4.580 30 20 DJED CCOc1ccccc1[C@H](CC(C)C)Nc1ccc(C#N)cn1 470874404 APVBVJONBDZREG-KRWDZBQOSA-N 309.413 4.551 30 20 DJED N#Cc1ccc(C(F)(F)F)c(NC2CCC(F)(F)CC2)c1 497751861 XUJKLRLYCWADLS-UHFFFAOYSA-N 304.262 4.567 30 20 DJED CCC[C@H](C)CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 505307635 HPJHYFSQBJNNPI-GWCFXTLKSA-N 313.228 4.501 30 20 DJED N#Cc1c(NC(=O)CC2=CCCCC2)sc2c1CCCCC2 517358277 WLDAIVOKGUGMHF-UHFFFAOYSA-N 314.454 4.718 30 20 DJED C=CCC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 540146728 LETODLLGFBQWKT-KXBFYZLASA-N 310.397 4.953 30 20 DJED CC(C)c1ccc(/C=C/CC(=O)NCC(C)(C)CCC#N)cc1 554792188 LNAWEXBRPPYACA-FNORWQNLSA-N 312.457 4.659 30 20 DJED CC(C)(C#N)CCSCc1coc(-c2cccc(F)c2)n1 561733744 DHYWBHSJKAFAET-UHFFFAOYSA-N 304.390 4.654 30 20 DJED C=C(C)C[C@H](C)c1nc(-c2ccccc2COC(C)C)no1 561879114 QKDCILYPDKEEJX-AWEZNQCLSA-N 300.402 4.731 30 20 DJED C[C@H](Sc1cccc(F)c1C#N)C(=O)c1ccc(Cl)cc1 577931044 BBAZUVOXWZNWDO-JTQLQIEISA-N 319.788 4.714 30 20 DJED CC[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C1CCCCC1 619433485 MZNQVXNDUMLWEB-SFHVURJKSA-N 312.457 4.576 30 20 DJED C=CCOc1cccc(CNc2ccc3c(cnn3C(C)C)c2)c1 676324564 PHLQUTQWXLTFPW-UHFFFAOYSA-N 321.424 4.794 30 20 DJED C=C(CNCc1cc(Cl)cc(Cl)c1O)c1ccccc1 725848928 DAXLSBLLECGADZ-UHFFFAOYSA-N 308.208 4.502 30 20 DJED CCCCN(CCCC)C(=S)Nc1ccc(C#N)c(Cl)c1 726433218 BTNZRVWCJHTDNB-UHFFFAOYSA-N 323.893 4.811 30 20 DJED O=C(/C=C\c1cccc(OC(F)F)c1)c1ccc(Cl)cc1 747061873 OBXHVFQJWQSWFC-WTKPLQERSA-N 308.711 4.838 30 20 DJED Cc1ccc(-c2nc(/C=C\C(=O)c3ccc(O)c(C)c3)co2)cc1 749891032 GWDHMRTVBREIAW-NTMALXAHSA-N 319.360 4.560 30 20 DJED Cc1ccc2cc(C(=O)/C=C\c3ccc4c(c3)ncn4C)oc2c1 754823483 CKGIELDSAUIUTK-YVMONPNESA-N 316.360 4.524 30 20 DJED CC1(C)CCC[C@H](C(=O)[C@H](C#N)c2ccc3ccccc3n2)C1 756518155 DOMRXEKWMFEVQC-JKSUJKDBSA-N 306.409 4.627 30 20 DJED C#CCCCC(=O)N(Cc1ccccc1)[C@H](C)c1ccccc1 757952861 HHHIEYRPYKAZTC-GOSISDBHSA-N 305.421 4.580 30 20 DJED Cc1sc(/C=C/c2cccc(OCCCC#N)c2)cc1C=O 760264668 LFZQDFSGNMUNRC-BQYQJAHWSA-N 311.406 4.722 30 20 DJED O=C(/C=C/c1ccc(Cl)nc1Cl)c1cc(F)ccc1F 761476403 IODKSQZHUVWFEY-ORCRQEGFSA-N 314.118 4.563 30 20 DJED CC(=NNc1c(F)cccc1Cl)c1cccc([N+](=O)[O-])c1C 769826805 JLAWYQCKGJXLTJ-UHFFFAOYSA-N 321.739 4.532 30 20 DJED C#CCCCCCC(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 780027569 JEGJXSOJVHBMMW-UHFFFAOYSA-N 309.453 4.503 30 20 DJED N#Cc1ccc(C(=O)/C=C/c2cc3ccccc3o2)c(Cl)c1 788359811 FTOGHSWAVXNLKZ-SOFGYWHQSA-N 307.736 4.854 30 20 DJED C[C@H](Nc1nc(Cl)c(C#N)s1)c1cc2ccccc2o1 804644565 JVWCUGFKFDKDSF-QMMMGPOBSA-N 303.774 4.587 30 20 DJED N#CCCCCCC(=O)Oc1ccc2oc3ccccc3c2c1 805853747 MBIGJRYKBNFWII-UHFFFAOYSA-N 307.349 4.965 30 20 DJED C#Cc1cncc(C(=O)Nc2ccc(SC(C)(C)C)cc2C)c1 806741778 PZNUKKGXCGLVPY-UHFFFAOYSA-N 324.449 4.514 30 20 DJED C=C1CCC(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)CC1 888559155 KROPDPQVVUHTEH-UHFFFAOYSA-N 322.452 4.620 30 20 DJED C=C(C)C(C)(C)c1nc(-c2ccsc2C(F)(F)F)no1 904923140 OLEHEDKBAJYTBD-UHFFFAOYSA-N 302.321 4.671 30 20 DJED O=C(/C=C/c1ccc(F)c(F)c1)c1cccc(C(F)(F)F)c1 916137486 YRUSTNDQCXSMHL-FNORWQNLSA-N 312.237 4.880 30 20 DJED C[C@@H](CC(C)(C)C#N)N[C@H](C)c1ccc(-c2ccncc2)cc1 925196485 MWPYMHXRMKDPNN-JKSUJKDBSA-N 307.441 4.728 30 20 DJED Cc1ccc2cc(CN(C)[C@H](C)c3cccc(C#N)c3)ccc2n1 1308829675 KUZPJXAZYCPUCG-MRXNPFEDSA-N 315.420 4.608 30 20 DJED N#CC1(c2nnc(-c3ccc(Cl)cc3Cl)o2)CCCCC1 1329075643 UXMMTXIJXABUDD-UHFFFAOYSA-N 322.195 4.769 30 20 DJED CC(C)(C)C[C@H](NC(=O)c1ccc(C#N)cc1F)c1ccccc1 1355061036 SHPHJNYQBQGTLM-SFHVURJKSA-N 324.399 4.605 30 20 DJED CC1(C)C[C@@H]1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1436254903 CYINEVMEZUUOPW-MRXNPFEDSA-N 322.433 4.694 30 20 DJED CCNc1ccc(C#N)cc1NC(=O)C[C@H](C)C1CCCCC1 1446109693 ZEEHAGMBNWUFHX-AWEZNQCLSA-N 313.445 4.535 30 20 DJED CCC[C@H]1CCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 1530388320 LOKOUKSKRYZIHY-STQMWFEESA-N 316.470 4.653 30 20 DJED CCCC[C@@H](CCC)CNC(=O)c1ccc(C(C)(C)C#N)cc1 1544068496 BQTKNAWQLBZSPM-MRXNPFEDSA-N 314.473 4.824 30 20 DJED CCC(CC)CN(CCC#N)CCCc1ccccc1Cl 1559578792 SNRRTRFKQURRED-UHFFFAOYSA-N 306.881 4.924 30 20 DJED N#Cc1nc(NCCc2cc3ccccc3s2)sc1Cl 1642725173 MXVDTESNOIDQRN-UHFFFAOYSA-N 319.842 4.537 30 20 DJED CC[C@H](Nc1snc(Cl)c1C#N)C(C)(C)c1ccccc1 1650873279 IQOVGRJWZGNMBT-ZDUSSCGKSA-N 319.861 4.836 30 20 DJED CC[C@H](CSc1ccccc1)Nc1cccc(F)c1C#N 1651667006 FACJLOYWUQVQOU-CYBMUJFWSA-N 300.402 4.680 30 20 DJED CCOc1ccc(CN(CC)[C@H](C)c2ccc(C#N)cc2)c(C)c1 1651932369 OQPFRWVONFCUCP-QGZVFWFLSA-N 322.452 4.849 30 20 DJED N#Cc1cccnc1N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 1651939851 QUGXLYRBYPWNDT-YOEHRIQHSA-N 311.816 4.745 30 20 DJED C[C@H]1c2cc(Cl)cc(Cl)c2CCN1CC1(CC#N)CC1 1652689669 MSTAFIJTYZTLJI-NSHDSACASA-N 309.240 4.606 30 20 DJED CCOC(=O)c1cccc(S[C@@H](C)c2cccc(C#N)c2)c1 1656515413 KYLOKMKLEIPHFA-ZDUSSCGKSA-N 311.406 4.588 30 20 DJED N#C[C@H](C(=O)CSc1ccc2c(c1)CCCC2)c1ccccc1 1656654988 RSYZAPVFORVZRM-IBGZPJMESA-N 321.445 4.534 30 20 DJED CC(C)C1(C)CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1666712066 XPJUFNJYAZQPML-UHFFFAOYSA-N 319.836 4.502 30 20 DJED CCCCCCCCCC[C@@H](C)Nc1ncc(C(=O)O)c(C)n1 1776785171 GUQWTWLUEPEQJW-CQSZACIVSA-N 321.465 4.814 30 20 DJED C#Cc1cccc(NCc2ncc(-c3ccc(Cl)cc3)o2)c1 44758683 TWGNCGLQEKFDNN-UHFFFAOYSA-N 308.768 4.588 30 20 DJED C=C(C)COc1cc(CN[C@H](C)c2ccccc2)ccc1OC 57959013 VFUFWRWXKVEWRB-MRXNPFEDSA-N 311.425 4.501 30 20 DJED C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccccc1 66907323 PVTPRFNMUMHMBD-CYBMUJFWSA-N 311.410 4.725 30 20 DJED C[C@H](Nc1cccc(OCCCC#N)c1)c1ccc(F)cc1F 79724189 YYECZVRXPXWZMG-ZDUSSCGKSA-N 316.351 4.820 30 20 DJED CC(C)Oc1cccc(/C=C/C(=O)c2cc(F)ccc2F)c1 83192815 TZLVEKGQONHNGU-RMKNXTFCSA-N 302.320 4.648 30 20 DJED Cc1cc(SC(C)(C)C)ccc1NC(=O)N(C)[C@H](C)CC#N 86285130 NSQCTBSFGMHTBL-CYBMUJFWSA-N 319.474 4.652 30 20 DJED CCN(C(=O)c1cc(Cl)cc(Cl)c1)c1ccc(C#N)cc1 174072189 OMDIELAIMZOZKP-UHFFFAOYSA-N 319.191 4.532 30 20 DJED CCCCC[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2o1)C(C)C 176733534 VSOYKDWPOMQKCH-CABCVRRESA-N 312.413 4.857 30 20 DJED C=CCC[C@@H](N[C@H](C)c1cc(OC)ccc1O)c1ccccc1 186141689 APBOAOPRVBPDRM-DNVCBOLYSA-N 311.425 4.759 30 20 DJED N#CCN(C(=O)c1ccc(-c2ccccc2)s1)c1ccccc1 195123925 OZMHHFWUNTUIQR-UHFFFAOYSA-N 318.401 4.585 30 20 DJED C#CCCCCC(=O)Nc1ccccc1COCc1ccccc1 271354283 GXIWLMQOVHFZJZ-UHFFFAOYSA-N 321.420 4.536 30 20 DJED CC(C)c1ccc(-c2nnc(S[C@@H]3CC[C@@H](C#N)C3)o2)cc1 296100267 UOBWSNUGPZITHB-IUODEOHRSA-N 313.426 4.644 30 20 DJED Cc1c([C@@H](C)Nc2c(C#N)cccc2C#N)oc2ccccc12 302852568 QIIGPSUSEBTXGM-CYBMUJFWSA-N 301.349 4.658 30 20 DJED C=CCN(CC1CCCCC1)C(=O)c1cc2ccc(C)cc2[nH]1 303467285 PPAJUGXKKCSYCZ-UHFFFAOYSA-N 310.441 4.685 30 20 DJED C[C@@H](CCCC(F)(F)F)Nc1cccc(OCCCC#N)c1 317785378 UBPCOJYYYCUWFH-ZDUSSCGKSA-N 314.351 4.902 30 20 DJED C=CC[C@H](C)N[C@H]1CCSc2ccc(Br)cc21 358036241 KZHQZSJEDRHUAW-GWCFXTLKSA-N 312.276 4.540 30 20 DJED C=CCC[C@H](NC(=O)Nc1ccc(C(C)=O)cc1)c1ccccc1 435142945 ZEWCGQXEOJITIK-IBGZPJMESA-N 322.408 4.718 30 20 DJED CC(C)C[C@@]1(C)CCCN1C(=O)C[C@@H](CC#N)c1ccccc1 452512378 QAIQDPXHFKGZIP-UYAOXDASSA-N 312.457 4.501 30 20 DJED CC[C@@H](Nc1ncc(C#N)cc1Cl)c1cccc(Cl)c1 463010402 KWSZSYKUDIXCBD-CQSZACIVSA-N 306.196 4.823 30 20 DJED COc1ccccc1-c1ccc(/C=C\c2ncccc2C#N)cc1 486055857 TWIRMSDWHOKKRR-RAXLEYEMSA-N 312.372 4.799 30 20 DJED C=C(C)CNC(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 488583772 ZWNMMKDXOCZERE-OAHLLOKOSA-N 314.454 4.597 30 20 DJED CCCCN(C(=O)c1sccc1C#N)[C@H](C)c1ccccc1 497986616 QPKGBSJFSBMZQY-CQSZACIVSA-N 312.438 4.623 30 20 DJED C=C(C)[C@@H](NCc1cnc2ccccc2c1)c1ccc(F)c(F)c1 499633617 HGVJAWVCISRVMX-HXUWFJFHSA-N 324.374 4.920 30 20 DJED C=CCCC[C@@H](C)NC(=O)N(C)[C@@H](CC)c1ccccc1OC 501560076 WSMREOKFIMQRGN-WBVHZDCISA-N 318.461 4.533 30 20 DJED CC(C)(C#N)c1ccccc1CSc1cccc([N+](=O)[O-])c1 509697738 KDLFMBUTXOAKFC-UHFFFAOYSA-N 312.394 4.688 30 20 DJED C=CCC[C@H](C(=O)N(C)C1CCC(F)(F)CC1)c1ccccc1 518254391 ORJGOBQPXSKSIN-KRWDZBQOSA-N 321.411 4.773 30 20 DJED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(Cl)s1 537623115 WXHLSJVKDDEHQJ-HOTGVXAUSA-N 316.857 4.673 30 20 DJED C=CCC(C)(C)c1noc(-c2ccncc2Oc2ccccc2)n1 560024983 NVYCRGDBCAMXEY-UHFFFAOYSA-N 321.380 4.778 30 20 DJED C=CCC(C)(C)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C 569715633 LXURUTFKZXAJKO-MRXNPFEDSA-N 314.473 4.915 30 20 DJED CC(C)[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 571129180 GQLLBSPCNVNGAR-WOJBJXKFSA-N 308.400 4.672 30 20 DJED CC(C)(CC#N)CSc1nnc(-c2cc3ccccc3o2)o1 594889369 CWXNZEOARWQXKO-UHFFFAOYSA-N 313.382 4.515 30 20 DJED Cc1oc(-c2ccccc2)nc1CSCc1cccc(C#N)c1 603442467 MWHAKJFUMMIOMR-UHFFFAOYSA-N 320.417 4.955 30 20 DJED C[C@H](CC(=O)N(CCC#N)c1ccc(F)cc1)CC(C)(C)C 604455784 SAAOUZVCMQFKHW-CQSZACIVSA-N 304.409 4.535 30 20 DJED C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(Cl)s1 619746681 HKAMGZXEWMBZQN-SECBINFHSA-N 311.237 4.777 30 20 DJED C=CCN(C(=O)c1oc2c(F)cccc2c1C)c1ccccc1 641896955 XICBZBOAWWQGRT-UHFFFAOYSA-N 309.340 4.713 30 20 DJED C=CCCC[C@H](C)NC(=O)Nc1ccc(COC(C)(C)C)cc1 678892879 XHKOODDGOHOCRL-HNNXBMFYSA-N 318.461 4.868 30 20 DJED O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1cncs1 735792646 HUQRZDNGEGDUEB-DHZHZOJOSA-N 321.401 4.618 30 20 DJED O=C(/C=C/c1ccccc1-c1ccccc1)c1cncc(F)c1 737446646 ZNGPVPULNNYVTH-ZHACJKMWSA-N 303.336 4.784 30 20 DJED C[C@H](Nc1cccc(N2CCCCC2)c1)c1ccc(C#N)cc1 743472150 KPQFETABSNPGFO-INIZCTEOSA-N 305.425 4.722 30 20 DJED CCCCCCCCCNC(=O)N(C)[C@@H](C)c1cccnc1 744828354 ZDPKHCGAKUGBAO-INIZCTEOSA-N 305.466 4.535 30 20 DJED CC[C@H](C)Oc1cc(/C=C/C(=O)c2ccccc2)ccc1OC 749449988 BGHGCWOVWGHWHT-PABFRNLHSA-N 310.393 4.769 30 20 DJED C=CC[C@H](N[C@@H](C)c1ccc(OC(F)F)cc1)c1ccncc1 766021393 SPYDWTLABARDRG-GUYCJALGSA-N 318.367 4.651 30 20 DJED CC(C)(C#N)CCCCON=C(c1ccccc1)C(F)(F)F 768858287 JFZCJEJMOYIAFO-UHFFFAOYSA-N 312.335 4.690 30 20 DJED Cc1cc(/C=C2/CCc3sccc3C2=O)cc2cccnc12 783705765 CRPPJWUXLQXKKI-PTNGSMBKSA-N 305.402 4.817 30 20 DJED Cc1cc(C)cc(NN=Cc2cn(C)nc2C2CCCCC2)c1 783811779 XBVOPGKNGWXPEY-UHFFFAOYSA-N 310.445 4.531 30 20 DJED CC(C)N(C)c1ccc(/C=C/C(=O)c2cc3ccccc3o2)cn1 790207761 CQRJWUYZNUBUDS-CSKARUKUSA-N 320.392 4.569 30 20 DJED COc1ccc(C)cc1C(=O)/C=C\c1ccnc(Cl)c1Cl 791433595 DXPAMWRIEDGMKZ-PLNGDYQASA-N 322.191 4.602 30 20 DJED Cc1csc([C@@H](C#N)C(=O)CC(C)(C)C2CCCCC2)n1 796617270 AWPVGHRENQODAE-AWEZNQCLSA-N 304.459 4.624 30 20 DJED N#Cc1sc(N[C@@H]2CC[C@H](c3cccc(F)c3)C2)nc1Cl 804681291 IKDXYRCPIMHIGV-CMPLNLGQSA-N 321.808 4.555 30 20 DJED C[C@H](C#N)Oc1ccc(CNc2ccccc2C(C)(F)F)cc1 824721258 AYABVMSIJHFIHB-CYBMUJFWSA-N 316.351 4.701 30 20 DJED N#Cc1ccc(-c2nnc(-c3cc4cc(F)ccc4s3)o2)cc1 1117214203 KPWNGJMXPCXZJD-UHFFFAOYSA-N 321.336 4.629 30 20 DJED CN(CCC1(C#N)CCCCC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 1170833887 CIYZKRGSHWJZIZ-GASCZTMLSA-N 316.411 4.903 30 20 DJED N#Cc1cncnc1Nc1ccc(Oc2ccccc2Cl)cc1 1184680801 GIHJCKYYTLMNNR-UHFFFAOYSA-N 322.755 4.538 30 20 DJED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc3c(c2)oc2ccccc23)C1 1275465322 USTPRGKZGIMLOB-UKRRQHHQSA-N 319.360 4.825 30 20 DJED Cc1cc(CN(CCC#N)CC(C)(C)C)ccc1C(F)(F)F 1308588975 GQAOWXPUHMFDHR-UHFFFAOYSA-N 312.379 4.776 30 20 DJED CC1(C)C[C@@H](c2ccccc2)N(Cc2cccc(F)c2C#N)C1 1308830721 RKUWWMFSLPIPND-IBGZPJMESA-N 308.400 4.671 30 20 DJED Cc1cc2cc(C(=O)O[C@@H](C)c3ccc(C#N)cc3)oc2cc1C 1354918885 LSFFORUVAHWQKT-AWEZNQCLSA-N 319.360 4.839 30 20 DJED CC1(C)CCC[C@H](CNc2nc(C(F)(F)F)ccc2C#N)C1 1458430600 GQVSJWJMOGAHCC-NSHDSACASA-N 311.351 4.600 30 20 DJED Cc1c(Cl)cnc(N[C@@H](Cc2ccccc2)C(C)C)c1C#N 1458587553 JLWIUBSNNSHLFK-KRWDZBQOSA-N 313.832 4.594 30 20 DJED Cc1cc(C#N)cc(NC(=O)c2ccc(OCCC(C)C)cc2)c1 1460862315 IFOXORRICVPBKZ-UHFFFAOYSA-N 322.408 4.544 30 20 DJED CC(C)CCN(CCC(C)C)C(=O)Nc1cc(C#N)ccc1F 1466788284 FFUHTKTWUZKRIL-UHFFFAOYSA-N 319.424 4.623 30 20 DJED CCCC1CCC(N(C)C(=O)CC2(C#N)CCCCC2)CC1 1525338048 ZBQZJXPTXVFXDI-UHFFFAOYSA-N 304.478 4.668 30 20 DJED N#Cc1cc(F)cc(NC(=O)C2CCC(c3ccccc3)CC2)c1 1596855278 FFZLFJMQVSGKJM-UHFFFAOYSA-N 322.383 4.610 30 20 DJED COc1ccc(C#N)cc1CN1CCC[C@H]1CC1CCCCC1 1644456655 LVLOKERMZJMHCN-IBGZPJMESA-N 312.457 4.502 30 20 DJED CCCC[C@H](CC)CNc1nccc(Oc2cccc(C#N)c2)n1 1651350874 XVWDMEYDQNGBDR-HNNXBMFYSA-N 324.428 4.769 30 20 DJED C[C@@H](Cc1ccc2ccccc2n1)Sc1cccc(F)c1C#N 1652010724 MUDMCVRIVWQPAH-ZDUSSCGKSA-N 322.408 4.969 30 20 DJED CCSc1ccccc1CN(C)[C@@H](C)c1cccc(C#N)c1 1653972707 MTZMTDCWXWDHPO-HNNXBMFYSA-N 310.466 4.863 30 20 DJED CN(Cc1ccc(C#N)s1)c1ccccc1-c1ccccc1 1657595909 BTSTVASRJJYZPT-UHFFFAOYSA-N 304.418 4.923 30 20 DJED C=CCCC1(C(=O)O)CCN([C@H](CCC)c2ccccc2)CC1 1776168441 PHMRVKCMIMQBTK-GOSISDBHSA-N 315.457 4.661 30 20 DJED CC[C@@H](C)c1ccc(C(=O)/C=C\c2ccc(O)c(C(=O)O)c2)cc1 1776697673 METBEDHIJXRAOY-JTMRULEUSA-N 324.376 4.500 30 20 DJED