smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[C@H](/N=C\c2cc(Br)ccc2O)CCN1Cc1ccc(F)cc1 ZINC000588578112 834595435 /nfs/dbraw/zinc/59/54/35/834595435.db2.gz UQKZKSKLODTYCQ-LIQPLZLLSA-N 0 0 391.240 3.514 10 30 GHEERN Cc1ccc(N2CCC[C@@H](NC(=O)NC(C)(C)c3cccc(Cl)c3)C2)nn1 ZINC000329402093 834980893 /nfs/dbraw/zinc/98/08/93/834980893.db2.gz BPFKKDNYGVRJQH-QGZVFWFLSA-N 0 0 387.915 3.846 10 30 GHEERN O=C(Nc1ccccc1N1CCC(O)CC1)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000329569193 835259520 /nfs/dbraw/zinc/25/95/20/835259520.db2.gz LVIUFWRDGDTPBC-WZONZLPQSA-N 0 0 378.472 3.976 10 30 GHEERN O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000328608089 836503330 /nfs/dbraw/zinc/50/33/30/836503330.db2.gz LTZCHWUSFHKMDF-NOCIGQNYSA-N 0 0 393.325 3.846 10 30 GHEERN N#C[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000333224415 844342720 /nfs/dbraw/zinc/34/27/20/844342720.db2.gz SMKQPCOXRPGEID-RRQGHBQHSA-N 0 0 391.313 3.727 10 30 GHEERN C[C@H](C[C@@H]1CCCO1)NC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000328710214 839246723 /nfs/dbraw/zinc/24/67/23/839246723.db2.gz QZBSAGILZDSZLV-QWQRMKEZSA-N 0 0 387.505 3.597 10 30 GHEERN C[C@H](C[C@@H]1CCCO1)NC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000328710213 839246768 /nfs/dbraw/zinc/24/67/68/839246768.db2.gz QZBSAGILZDSZLV-GLJUWKHASA-N 0 0 387.505 3.597 10 30 GHEERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)N1CC2(CCC2)c2ccccc21 ZINC000330100431 839494117 /nfs/dbraw/zinc/49/41/17/839494117.db2.gz HSNVRNSESAFLCG-KRWDZBQOSA-N 0 0 382.485 3.761 10 30 GHEERN C[C@@H]1CN(Cc2csc(NC(=O)C[C@@H]3CCCCC(=O)N3)n2)C[C@@H](C)O1 ZINC000329264647 861218726 /nfs/dbraw/zinc/21/87/26/861218726.db2.gz GTXZUPUDTBRRPW-MCIONIFRSA-N 0 0 380.514 3.630 10 30 GHEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CCC(OC3CCCC3)CC1)C2 ZINC000329268327 861221935 /nfs/dbraw/zinc/22/19/35/861221935.db2.gz IBTCYTUBMHBLRN-INIZCTEOSA-N 0 0 388.556 3.833 10 30 GHEERN C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000329303789 861265412 /nfs/dbraw/zinc/26/54/12/861265412.db2.gz XQHMLPNXJAYFEI-KBAYOESNSA-N 0 0 397.527 3.607 10 30 GHEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000588445211 842811427 /nfs/dbraw/zinc/81/14/27/842811427.db2.gz ODKDEOYNQVSTRT-ICFOKQHNSA-N 0 0 390.443 3.609 10 30 GHEERN CC(C)n1ncc2c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cccs1)CC2 ZINC000329446824 861442181 /nfs/dbraw/zinc/44/21/81/861442181.db2.gz CQBVQIZKVWLBBY-CVEARBPZSA-N 0 0 386.521 3.644 10 30 GHEERN Cc1cc(N2CCC[C@H](N[C@@H]3CCC[C@@H]3C#N)C2=O)ccc1Br ZINC000333553177 846707929 /nfs/dbraw/zinc/70/79/29/846707929.db2.gz FXYLCHHGHKHKDX-XYPHTWIQSA-N 0 0 376.298 3.535 10 30 GHEERN Cc1nc(C)n(C[C@@H]2CCCN(C([O-])=[NH+]CCc3ccc(F)cc3Cl)C2)n1 ZINC000329611935 861773893 /nfs/dbraw/zinc/77/38/93/861773893.db2.gz CINUOEOEDXATQS-OAHLLOKOSA-N 0 0 393.894 3.556 10 30 GHEERN CCc1ccc([C@@H]2CN(C(=O)NC[C@H]3CCCn4cc(C)nc43)CCO2)cc1 ZINC000330057496 862539297 /nfs/dbraw/zinc/53/92/97/862539297.db2.gz XOSRMKGIQFEIFQ-UXHICEINSA-N 0 0 382.508 3.619 10 30 GHEERN CC1(C)C[C@H](NC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c2ccccc2O1 ZINC000328604777 854480559 /nfs/dbraw/zinc/48/05/59/854480559.db2.gz IXWTXXUDUXTBPK-RYRKJORJSA-N 0 0 385.508 3.584 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@]13CCC(=O)N1c1ccccc1S3)CCC2 ZINC000328644178 854487797 /nfs/dbraw/zinc/48/77/97/854487797.db2.gz AMGJLUIVUSLBPB-XOBRGWDASA-N 0 0 382.489 3.654 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@@H](Oc3ccccc3Cl)C1)CCC2 ZINC000328660303 854493842 /nfs/dbraw/zinc/49/38/42/854493842.db2.gz VECFKYFLWFRVIJ-JKSUJKDBSA-N 0 0 388.899 3.790 10 30 GHEERN C[C@@H]1CCC[C@H](NC(=O)CN2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)[C@@H]1C ZINC000328673548 854499279 /nfs/dbraw/zinc/49/92/79/854499279.db2.gz JBYHWHLWGRXBDK-DJNKHXQUSA-N 0 0 380.492 3.763 10 30 GHEERN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000328713742 854519429 /nfs/dbraw/zinc/51/94/29/854519429.db2.gz CBOXSIPBMIRRPJ-XFMLVYLPSA-N 0 0 394.519 3.822 10 30 GHEERN Cc1ccc(C(=O)C2CCN(C(=O)N[C@H]3CCC(=O)NC34CCC4)CC2)cc1 ZINC000328739894 854522405 /nfs/dbraw/zinc/52/24/05/854522405.db2.gz LMBQUOSJJBWFTD-SFHVURJKSA-N 0 0 383.492 3.845 10 30 GHEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)no1 ZINC000328823896 854551998 /nfs/dbraw/zinc/55/19/98/854551998.db2.gz GTRDGRMFENKFCR-IKGGRYGDSA-N 0 0 389.887 3.528 10 30 GHEERN COc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)c(OC)c1 ZINC000328901579 854587992 /nfs/dbraw/zinc/58/79/92/854587992.db2.gz ZGLIPFKQJUCBLT-FUHIMQAGSA-N 0 0 387.480 3.652 10 30 GHEERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000328933782 854606950 /nfs/dbraw/zinc/60/69/50/854606950.db2.gz BYKYILQHUIVOOQ-IIDMSEBBSA-N 0 0 386.500 3.577 10 30 GHEERN CN1CCO[C@@H]2CCN(C(=O)Nc3ccc(OC4CCCC4)c(Cl)c3)C[C@@H]21 ZINC000328966403 854635146 /nfs/dbraw/zinc/63/51/46/854635146.db2.gz SOFWGXXRMDKQDZ-PKOBYXMFSA-N 0 0 393.915 3.612 10 30 GHEERN C[C@H](NC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1)c1cccc(-n2ccnc2)c1 ZINC000328984215 854641752 /nfs/dbraw/zinc/64/17/52/854641752.db2.gz ZEUNFWDBGCQCMU-VDZJLULYSA-N 0 0 381.480 3.678 10 30 GHEERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H](CC(C)C)c2cccs2)C1 ZINC000330171860 862633384 /nfs/dbraw/zinc/63/33/84/862633384.db2.gz FVYFZSLGEIHSLU-SOUVJXGZSA-N 0 0 378.498 3.903 10 30 GHEERN O=C(N[C@@H]1CCCc2occc21)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000330321687 862903886 /nfs/dbraw/zinc/90/38/86/862903886.db2.gz GDOOPIUXEGQWNO-SJLPKXTDSA-N 0 0 396.491 3.720 10 30 GHEERN C=CCN(Cc1ccccc1)C(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000102578123 860335098 /nfs/dbraw/zinc/33/50/98/860335098.db2.gz KIGQIXSBIJYNRT-HXUWFJFHSA-N 0 0 379.504 3.919 10 30 GHEERN N#Cc1ccc(CS(=O)(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)cc1 ZINC000329337582 860340155 /nfs/dbraw/zinc/34/01/55/860340155.db2.gz PWTKIONKNZCKIJ-LJQANCHMSA-N 0 0 382.485 3.814 10 30 GHEERN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)C1 ZINC000329045876 860973476 /nfs/dbraw/zinc/97/34/76/860973476.db2.gz UWDBXDLVWQNTJR-YZDANFJYSA-N 0 0 395.569 3.968 10 30 GHEERN Cc1c2ccccc2oc1[C@H](NC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1)C(C)C ZINC000329050658 860978226 /nfs/dbraw/zinc/97/82/26/860978226.db2.gz KSBAMQUPADCVLE-YZGWKJHDSA-N 0 0 385.508 3.757 10 30 GHEERN CC(C)c1nnc2n1CCN(CC(=O)N[C@@H](C)c1ccc3c(c1)CCCC3)C2 ZINC000329202677 861137290 /nfs/dbraw/zinc/13/72/90/861137290.db2.gz YDZUFMNBBAGPNT-INIZCTEOSA-N 0 0 381.524 3.814 10 30 GHEERN C[C@H](NC(=O)C(=O)Nc1ccc(CC#N)cc1)c1ccc(-c2cccnc2)cc1 ZINC000177101585 882759955 /nfs/dbraw/zinc/75/99/55/882759955.db2.gz BKIPHYYRAQIPLU-INIZCTEOSA-N 0 0 384.439 3.631 10 30 GHEERN C[C@@H](NC(=O)C(=O)Nc1ccc(CC#N)cc1)c1ccc(-c2cccnc2)cc1 ZINC000177101603 882760124 /nfs/dbraw/zinc/76/01/24/882760124.db2.gz BKIPHYYRAQIPLU-MRXNPFEDSA-N 0 0 384.439 3.631 10 30 GHEERN C#Cc1cccc(N(C(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)C(C)C)c1 ZINC000102909069 873811587 /nfs/dbraw/zinc/81/15/87/873811587.db2.gz NWACAKHHOQFXRA-QFIPXVFZSA-N 0 0 378.472 3.685 10 30 GHEERN C[C@@H](C#N)Oc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000182044243 883202175 /nfs/dbraw/zinc/20/21/75/883202175.db2.gz SDARYCCDRAOISM-HNNXBMFYSA-N 0 0 395.434 3.607 10 30 GHEERN CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)cc1 ZINC000194133276 888559911 /nfs/dbraw/zinc/55/99/11/888559911.db2.gz YSOSXTKAIPJWQO-SFHVURJKSA-N 0 0 381.501 3.721 10 30 GHEERN C#Cc1cccc(N(C)C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000103102215 898066734 /nfs/dbraw/zinc/06/67/34/898066734.db2.gz UCOHEYSJHHCHPY-YOEHRIQHSA-N 0 0 392.455 3.556 10 30 GHEERN Cc1nc([C@@H]2CCCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)cs1 ZINC000187108819 908038424 /nfs/dbraw/zinc/03/84/24/908038424.db2.gz ZAOYKBBQSOTVOL-IBGZPJMESA-N 0 0 396.516 3.842 10 30 GHEERN N#Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1Cl ZINC000014686094 203753167 /nfs/dbraw/zinc/75/31/67/203753167.db2.gz SSIPLSOPLWKQDA-UHFFFAOYSA-N 0 0 385.826 3.842 10 30 GHEERN Cc1c(C(=O)N2CCCC2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000040814728 205073122 /nfs/dbraw/zinc/07/31/22/205073122.db2.gz CPLIKYMMYLNUAQ-CJLVFECKSA-N 0 0 382.420 3.885 10 30 GHEERN COc1cc([C@H]2C[C@H]3C[C@@]4(C=C(OC)C(=O)C=C4O3)[C@@H]2C)cc(OC)c1OC ZINC000016942866 522963203 /nfs/dbraw/zinc/96/32/03/522963203.db2.gz JXWKCIXVIBYKKR-IRJBIMHASA-N 0 0 386.444 3.608 10 30 biogenic GHEERN COCCN1C(=O)/C(=C\c2cc(OC)ccc2OC)S/C1=N/c1ccccc1 ZINC000096577474 523787751 /nfs/dbraw/zinc/78/77/51/523787751.db2.gz DKDYQWHCYQHJRB-KIOXBDSISA-N 0 0 398.484 3.954 10 30 GHEERN Cc1cc(S(=O)(=O)N=C(N)c2cc(Cl)nc(Cl)c2)c(C)cc1Cl ZINC000033376835 525389680 /nfs/dbraw/zinc/38/96/80/525389680.db2.gz SYHRNDJTZHDJRP-UHFFFAOYSA-N 0 0 392.695 3.753 10 30 GHEERN Brc1cccc(C=NNc2nnc(SCc3ccccn3)[nH]2)c1 ZINC000005937037 570462108 /nfs/dbraw/zinc/46/21/08/570462108.db2.gz OIIVGRQTLQHYFC-GIJQJNRQSA-N 0 0 389.282 3.701 10 30 GHEERN O=C1[C@@H](/N=C\c2cc(Br)ccc2O)CCN1Cc1ccc(F)cc1 ZINC000588578113 834595827 /nfs/dbraw/zinc/59/58/27/834595827.db2.gz UQKZKSKLODTYCQ-QZPXRHMKSA-N 0 0 391.240 3.514 10 30 GHEERN Cc1nc([C@@H]2CCCN2C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)no1 ZINC000329311780 834819899 /nfs/dbraw/zinc/81/98/99/834819899.db2.gz PUJXTORPODQSDD-HQHQJUQOSA-N 0 0 386.496 3.605 10 30 GHEERN O=C(Nc1ccc(F)cc1OC1CCOCC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000329427273 835022301 /nfs/dbraw/zinc/02/23/01/835022301.db2.gz JDGMFOFPAMIYOF-QVKFZJNVSA-N 0 0 392.471 3.556 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@H](C)c3ccc(F)c(Cl)c3)C2)nn1 ZINC000329583807 835292249 /nfs/dbraw/zinc/29/22/49/835292249.db2.gz LTGMETLERAFEJK-HIFRSBDPSA-N 0 0 391.878 3.811 10 30 GHEERN O=C(NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@H]1CCc2ccccc21 ZINC000329585192 835295757 /nfs/dbraw/zinc/29/57/57/835295757.db2.gz WJQMYTFAHVAEHB-NRFANRHFSA-N 0 0 398.528 3.667 10 30 GHEERN CC(=O)Nc1ccc(S[C@H](C)C(=O)N2C[C@@H]3CCCCN3C[C@H]2C)cc1 ZINC000329677971 835660201 /nfs/dbraw/zinc/66/02/01/835660201.db2.gz WVTZYQVIPICNOC-RKVPGOIHSA-N 0 0 375.538 3.860 10 30 GHEERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)N[C@@H](c3ccc(C)cc3)C3CC3)C2)n1 ZINC000329680539 835669289 /nfs/dbraw/zinc/66/92/89/835669289.db2.gz XWTIIXCALDPBAU-RXVVDRJESA-N 0 0 381.524 3.981 10 30 GHEERN Cn1cc([C@@H]2[C@H](C(=O)N[C@@H]3CCOc4ccccc43)CC(=O)N2C(C)(C)C)cn1 ZINC000330050868 838805531 /nfs/dbraw/zinc/80/55/31/838805531.db2.gz MMCKCTBLNJDGCR-MBOZVWFJSA-N 0 0 396.491 3.589 10 30 GHEERN Cc1nc(C[C@@H]2CCCN(C(=O)NC[C@@H]3CCCC[C@H]3C(F)(F)F)C2)no1 ZINC000330127446 839708042 /nfs/dbraw/zinc/70/80/42/839708042.db2.gz MVCQYSVOOMPEMT-SOUVJXGZSA-N 0 0 388.434 3.915 10 30 GHEERN O=C(C[C@H]1CCCCC(=O)N1)N1CSC[C@H]1C(=O)Nc1cccc(F)c1 ZINC000329351574 861315195 /nfs/dbraw/zinc/31/51/95/861315195.db2.gz XFNQVJZBOATIGG-CABCVRRESA-N 0 0 379.457 3.604 10 30 GHEERN COc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000328867607 842721298 /nfs/dbraw/zinc/72/12/98/842721298.db2.gz OGPHYIYKDFSCED-NRFANRHFSA-N 0 0 399.535 3.711 10 30 GHEERN C[C@@H]1OCC[C@@H]1NC(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000328908189 842873131 /nfs/dbraw/zinc/87/31/31/842873131.db2.gz CSMDTFITCKDEDV-BQFCYCMXSA-N 0 0 390.528 3.853 10 30 GHEERN O=C(CN1CCC[C@@H](c2nnc3ccccn32)C1)Nc1nc2c(s1)CCCC2 ZINC000329407697 861381987 /nfs/dbraw/zinc/38/19/87/861381987.db2.gz DBOFCGQLRWIOBI-CQSZACIVSA-N 0 0 396.520 3.532 10 30 GHEERN C[C@H](NC(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1)c1cccs1 ZINC000330335836 843714793 /nfs/dbraw/zinc/71/47/93/843714793.db2.gz RWSOTTJFSHSROO-HOTGVXAUSA-N 0 0 386.521 3.872 10 30 GHEERN O=C(CC1CCCC1)NCC(=O)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000329555106 861649809 /nfs/dbraw/zinc/64/98/09/861649809.db2.gz BLQWAYQUZKEKHM-CYBMUJFWSA-N 0 0 386.418 3.671 10 30 GHEERN CCCn1cc(C=Nn2c(-c3cc(C)no3)csc2=Nc2ccccn2)cn1 ZINC000588517248 847028368 /nfs/dbraw/zinc/02/83/68/847028368.db2.gz SPEQBGWYXIOGMQ-UHFFFAOYSA-N 0 0 393.476 3.629 10 30 GHEERN Cc1ccc(N2CCC[C@@H](NC(=O)c3cn(C)nc3C3CCCCC3)C2)nn1 ZINC000329624978 861813268 /nfs/dbraw/zinc/81/32/68/861813268.db2.gz VCBXEVLGFCOEMH-QGZVFWFLSA-N 0 0 382.512 3.540 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N3CCC(c4ccccc4C)CC3)C2)nn1 ZINC000329654848 861916708 /nfs/dbraw/zinc/91/67/08/861916708.db2.gz FNOSNQBPJYZBQC-FQEVSTJZSA-N 0 0 393.535 3.856 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N(C)[C@H](c3ccccc3)C(C)C)C2)nn1 ZINC000329679092 862012006 /nfs/dbraw/zinc/01/20/06/862012006.db2.gz QRDJOTVDPDQBAS-FPOVZHCZSA-N 0 0 381.524 3.997 10 30 GHEERN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)N1CCN(c2nc3ccccc3o2)CC1 ZINC000329690698 862090922 /nfs/dbraw/zinc/09/09/22/862090922.db2.gz WCPQMINVGVMKKN-CXAGYDPISA-N 0 0 398.413 3.698 10 30 GHEERN CCO[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CCCC[C@H]2C(F)(F)F)C12CCOCC2 ZINC000329792232 862325070 /nfs/dbraw/zinc/32/50/70/862325070.db2.gz FIBNIGKHDRMQOL-QKPAOTATSA-N 0 0 392.462 3.928 10 30 GHEERN O=C(N[C@@H]1CCCc2ccc(F)cc21)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000329940157 862440589 /nfs/dbraw/zinc/44/05/89/862440589.db2.gz UGSTYYLQOHRPOZ-QZTJIDSGSA-N 0 0 388.464 3.625 10 30 GHEERN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2CCO[C@H](c3nccs3)C2)cc1 ZINC000329949915 862448569 /nfs/dbraw/zinc/44/85/69/862448569.db2.gz LRWRKSOOLXOPEM-BZSNNMDCSA-N 0 0 387.505 3.659 10 30 GHEERN O=C(CC1CCCC1)NC1CCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000328714264 854519211 /nfs/dbraw/zinc/51/92/11/854519211.db2.gz CHPZYQBSDSYIEV-QGZVFWFLSA-N 0 0 390.528 3.943 10 30 GHEERN CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)N[C@H]2c3ccccc3CCC2(C)C)C1 ZINC000328992537 854644672 /nfs/dbraw/zinc/64/46/72/854644672.db2.gz FURKMRBELVQLIK-NJAFHUGGSA-N 0 0 383.496 3.503 10 30 GHEERN CC(C)C(=O)N1CCN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000330160688 862623813 /nfs/dbraw/zinc/62/38/13/862623813.db2.gz SHBUXXPTNOLZEH-GOSISDBHSA-N 0 0 385.508 3.537 10 30 GHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000330166401 862628873 /nfs/dbraw/zinc/62/88/73/862628873.db2.gz XZDAYNDAIHLRRU-QMTMVMCOSA-N 0 0 388.899 3.777 10 30 GHEERN Cc1csc(C2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)CC2)n1 ZINC000151510048 857347533 /nfs/dbraw/zinc/34/75/33/857347533.db2.gz DRDIPXQVMHTNOM-UHFFFAOYSA-N 0 0 396.516 3.838 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CCCN(C(=O)Cc3ccccc3)C1)CCC2 ZINC000328773997 858817363 /nfs/dbraw/zinc/81/73/63/858817363.db2.gz HQFYEZVAIQFQEF-PMACEKPBSA-N 0 0 394.519 3.507 10 30 GHEERN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)[C@@]12CCCO2 ZINC000329042383 860970245 /nfs/dbraw/zinc/97/02/45/860970245.db2.gz OQEULFGHGGHLHT-IEGBIBBISA-N 0 0 391.512 3.615 10 30 GHEERN CCC(CC)CN(CCC#N)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000171567843 882141629 /nfs/dbraw/zinc/14/16/29/882141629.db2.gz BAIADNCQVNVPIY-UHFFFAOYSA-N 0 0 375.538 3.779 10 30 GHEERN COc1cccc(N2CCC[C@@H](NC(=O)c3cccc(SCC#N)c3)C2)c1 ZINC000175982368 882653560 /nfs/dbraw/zinc/65/35/60/882653560.db2.gz PRTBOQGWNXEZNM-QGZVFWFLSA-N 0 0 381.501 3.710 10 30 GHEERN Cc1ccc(OC2CCN(C(=O)Cc3cccc(OCC#N)c3)CC2)cc1C ZINC000179382103 882967858 /nfs/dbraw/zinc/96/78/58/882967858.db2.gz VFPDXXIYYODZMG-UHFFFAOYSA-N 0 0 378.472 3.818 10 30 GHEERN COC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000181576138 883164152 /nfs/dbraw/zinc/16/41/52/883164152.db2.gz NHVMHUSCWBIZOV-UXHICEINSA-N 0 0 388.467 3.661 10 30 GHEERN CC(=O)N1CC[C@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccc(F)cc2C1 ZINC000184841974 883385990 /nfs/dbraw/zinc/38/59/90/883385990.db2.gz OPNZPYYUJCGRQR-FQEVSTJZSA-N 0 0 380.423 3.507 10 30 GHEERN CCc1cc(C#N)c(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)s1 ZINC000193795148 887568302 /nfs/dbraw/zinc/56/83/02/887568302.db2.gz AARYOXANQZFVDQ-UHFFFAOYSA-N 0 0 385.464 3.812 10 30 GHEERN CC1CCN(S(=O)(=O)c2ccc(/N=C\c3ccc(N(C)C)cc3)cc2)CC1 ZINC000005791821 204150960 /nfs/dbraw/zinc/15/09/60/204150960.db2.gz DOEWTCPOFZEMNO-JWGURIENSA-N 0 0 385.533 3.924 10 30 GHEERN Cc1c(C#N)c(NC(=O)/C=C\c2ccc3c(c2)OCO3)sc1C(=O)OC(C)C ZINC000035112630 204983235 /nfs/dbraw/zinc/98/32/35/204983235.db2.gz CCADPECSLFVMMW-ALCCZGGFSA-N 0 0 398.440 3.874 10 30 GHEERN O=C(c1ccoc1)N1CCC[C@]2(C1)Nc1cccnc1NC2=NC1CCCC1 ZINC000096309763 526856791 /nfs/dbraw/zinc/85/67/91/526856791.db2.gz SBZDBHIGWPFSGO-OAQYLSRUSA-N 0 0 379.464 3.528 10 30 biogenic GHEERN C=CCO[C@@H]1CCN2C(=O)c3cc(-c4cccc(C)c4C)ccc3NC(=O)[C@H]12 ZINC000008297144 560208077 /nfs/dbraw/zinc/20/80/77/560208077.db2.gz PSQZAGRXKCOUDN-RTWAWAEBSA-N 0 0 376.456 3.708 10 30 biogenic GHEERN N#Cc1ccc(C(=O)NCCn2c(CCc3ccccc3)nc3cccnc32)cc1 ZINC000046915811 570937045 /nfs/dbraw/zinc/93/70/45/570937045.db2.gz QCWFKPGFDZDSHB-UHFFFAOYSA-N 0 0 395.466 3.518 10 30 GHEERN C=C(C)CN1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccccc1C ZINC000588601777 834561870 /nfs/dbraw/zinc/56/18/70/834561870.db2.gz VHXQZTNFOMOWJZ-AWEZNQCLSA-N 0 0 399.438 3.571 10 30 GHEERN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCOC[C@H](C2CCC2)C1 ZINC000329233734 834587027 /nfs/dbraw/zinc/58/70/27/834587027.db2.gz MEZXJAKZFOAOCA-APWZRJJASA-N 0 0 392.927 3.944 10 30 GHEERN Cc1cc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cnc1N1CCCC[C@@H]1C ZINC000329259925 834662810 /nfs/dbraw/zinc/66/28/10/834662810.db2.gz ALSYHBVZVDRCKL-NPPFBWRTSA-N 0 0 386.540 3.941 10 30 GHEERN COCc1cccc2sc(=NC(=O)N3CCC[C@H](n4cc(C)cn4)C3)[nH]c21 ZINC000329359844 834900910 /nfs/dbraw/zinc/90/09/10/834900910.db2.gz HXROFVPCYCIYLH-HNNXBMFYSA-N 0 0 385.493 3.830 10 30 GHEERN CC(C)(C)C(=O)NC1CCC(c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)CC1 ZINC000329569905 835261349 /nfs/dbraw/zinc/26/13/49/835261349.db2.gz INGLDIFJZPEKMF-FJBKBRRZSA-N 0 0 376.501 3.634 10 30 GHEERN O=C(NCc1nc2cc(Cl)ccc2s1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000330072845 839185859 /nfs/dbraw/zinc/18/58/59/839185859.db2.gz JYOGTCBIDUYNSG-KZULUSFZSA-N 0 0 379.913 3.991 10 30 GHEERN COCCOc1ccc(C#N)cc1NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588441687 842754001 /nfs/dbraw/zinc/75/40/01/842754001.db2.gz JEOPYZVFVIBGQA-KAMYIIQDSA-N 0 0 381.388 3.534 10 30 GHEERN O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)N[C@@H]1CCCC[C@@H]1O ZINC000330292196 843535367 /nfs/dbraw/zinc/53/53/67/843535367.db2.gz HBMQYXVONMJRKX-BHTHQVBYSA-N 0 0 385.277 3.641 10 30 GHEERN COc1ccccc1[C@@H]1CCCN1C(=O)N[C@@H]1CCCN(c2ccc(C)nn2)C1 ZINC000329653023 861913946 /nfs/dbraw/zinc/91/39/46/861913946.db2.gz DOJALTGGDJREBC-MJGOQNOKSA-N 0 0 395.507 3.514 10 30 GHEERN O=C(CC1(CC(=O)N2CCn3ccnc3C2)CCCCC1)Nc1nccs1 ZINC000329699046 862102162 /nfs/dbraw/zinc/10/21/62/862102162.db2.gz GAKUNKATBSNVSD-UHFFFAOYSA-N 0 0 387.509 3.701 10 30 GHEERN CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329718360 862213043 /nfs/dbraw/zinc/21/30/43/862213043.db2.gz YRJPWJIIXKDLQB-HLLBOEOZSA-N 0 0 375.517 3.878 10 30 GHEERN CN(CC#N)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 ZINC000101866693 851961331 /nfs/dbraw/zinc/96/13/31/851961331.db2.gz VANWPJOBUDKURU-JBACZVJFSA-N 0 0 375.472 3.595 10 30 GHEERN CCn1cc(C2CCN(C(=O)N[C@H]3CCc4nc(C(C)(C)C)cn4C3)CC2)cn1 ZINC000329812904 862337913 /nfs/dbraw/zinc/33/79/13/862337913.db2.gz DFSBNCGHGITBSO-SFHVURJKSA-N 0 0 398.555 3.505 10 30 GHEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(Br)sc1Br ZINC000225119227 853329130 /nfs/dbraw/zinc/32/91/30/853329130.db2.gz IGNNWDJPPGQCMA-SVRRBLITSA-N 0 0 378.089 3.695 10 30 GHEERN N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CCO[C@@H]3c3cccnc3)C2)c(F)c1 ZINC000330034064 862520280 /nfs/dbraw/zinc/52/02/80/862520280.db2.gz ATVFMXNJUUJHGZ-BBTUJRGHSA-N 0 0 394.450 3.795 10 30 GHEERN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000328606206 854480710 /nfs/dbraw/zinc/48/07/10/854480710.db2.gz KFWLVQOHSPQDBN-ANULTFPQSA-N 0 0 399.535 3.510 10 30 GHEERN C[C@H](C(=O)Nc1ccc(Cl)cn1)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000328671276 854498330 /nfs/dbraw/zinc/49/83/30/854498330.db2.gz HCBGTPLJFSWXMX-IZDJOXEWSA-N 0 0 395.850 3.706 10 30 GHEERN O=C(N[C@H]1CCC(=O)NC12CCC2)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000328723437 854504023 /nfs/dbraw/zinc/50/40/23/854504023.db2.gz YBTSUTPFTDMSOU-GJZGRUSLSA-N 0 0 375.856 3.691 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CC(=O)N([C@H](C)c3ccccc3)C1)CCC2 ZINC000328781098 854554131 /nfs/dbraw/zinc/55/41/31/854554131.db2.gz JHXAFVJJYBRZLV-NZSAHSFTSA-N 0 0 380.492 3.635 10 30 GHEERN Cc1ccc(NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c(OCc2ccccc2)c1 ZINC000328916040 854620299 /nfs/dbraw/zinc/62/02/99/854620299.db2.gz AEOPSXZUTMGMIF-RTWAWAEBSA-N 0 0 395.503 3.524 10 30 GHEERN Cc1cc(NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)cnc1N1CCCC[C@H]1C ZINC000330146112 862612490 /nfs/dbraw/zinc/61/24/90/862612490.db2.gz LIABXIIJOGUVLB-SZVBFZGTSA-N 0 0 383.496 3.868 10 30 GHEERN CCCN(Cc1ccc(C#N)cc1)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000045404158 854870432 /nfs/dbraw/zinc/87/04/32/854870432.db2.gz OPPRRQLKMUCRND-UHFFFAOYSA-N 0 0 395.528 3.911 10 30 GHEERN C[C@H]1OCC[C@H]1NC(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000330203886 862660104 /nfs/dbraw/zinc/66/01/04/862660104.db2.gz CHOOZBMCVDZKPM-HQQWDMGQSA-N 0 0 392.297 3.989 10 30 GHEERN COc1cc(C#N)ccc1OCC(=O)N(C)[C@@H](c1ccccc1)c1ccccn1 ZINC000055418712 855319675 /nfs/dbraw/zinc/31/96/75/855319675.db2.gz NXGMZHAVJUJXPG-QHCPKHFHSA-N 0 0 387.439 3.589 10 30 GHEERN Cc1ccccc1[C@H](C)NC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccnn1C ZINC000330249442 862692945 /nfs/dbraw/zinc/69/29/45/862692945.db2.gz GSPAQLTUMGIVQY-KLHJMIIUSA-N 0 0 380.492 3.888 10 30 GHEERN Cc1cc([C@H](C)NC(=O)N2CCCN(c3ncccc3C#N)CC2)c(C)s1 ZINC000056626665 855611039 /nfs/dbraw/zinc/61/10/39/855611039.db2.gz SGFLOVBAPAYBGI-HNNXBMFYSA-N 0 0 383.521 3.615 10 30 GHEERN COc1ccccc1CCN(C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000104710095 856372598 /nfs/dbraw/zinc/37/25/98/856372598.db2.gz ICLSCRYKCYMWKD-UHFFFAOYSA-N 0 0 375.472 3.921 10 30 GHEERN Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)cn1 ZINC000330325771 862907140 /nfs/dbraw/zinc/90/71/40/862907140.db2.gz JNKXEROIDNSXKA-NLWGTHIKSA-N 0 0 383.496 3.843 10 30 GHEERN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)C1 ZINC000329045875 860973917 /nfs/dbraw/zinc/97/39/17/860973917.db2.gz UWDBXDLVWQNTJR-GTRNVVHFSA-N 0 0 395.569 3.968 10 30 GHEERN CC(C)n1cc([C@@H]2CN(C(=O)N[C@@H]3CCC(C)(C)C[C@H]3C)C[C@H]2CO)cn1 ZINC000329052080 860979194 /nfs/dbraw/zinc/97/91/94/860979194.db2.gz LDCJJLNNDDQTNL-XGXHKWSGSA-N 0 0 376.545 3.601 10 30 GHEERN C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CCc2cncnc2C1 ZINC000329177186 861103383 /nfs/dbraw/zinc/10/33/83/861103383.db2.gz MZVYRPHRAODDLI-OAHLLOKOSA-N 0 0 394.475 3.943 10 30 GHEERN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c1 ZINC000329189386 861117885 /nfs/dbraw/zinc/11/78/85/861117885.db2.gz QSHMMGHCDDKVDU-TYPHKJRUSA-N 0 0 398.528 3.752 10 30 GHEERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000101739286 864985015 /nfs/dbraw/zinc/98/50/15/864985015.db2.gz LFIYBOKZKHSZDL-CYBMUJFWSA-N 0 0 376.888 3.616 10 30 GHEERN Cc1cc([N+](=O)[O-])ccc1C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000102120446 872612693 /nfs/dbraw/zinc/61/26/93/872612693.db2.gz CAAKKSOTVCOAAW-ZDUSSCGKSA-N 0 0 375.743 3.657 10 30 GHEERN N#Cc1cnc2ccccc2c1OCCOC(=O)/C=C/c1cnc2ccccc2n1 ZINC000102146045 872642657 /nfs/dbraw/zinc/64/26/57/872642657.db2.gz KADAUMJATSBZFT-MDZDMXLPSA-N 0 0 396.406 3.685 10 30 GHEERN COc1ccc([C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2nccn2C)cc1 ZINC000181451922 883180848 /nfs/dbraw/zinc/18/08/48/883180848.db2.gz GJGSXAWUGNUBEV-HRAATJIYSA-N 0 0 376.460 3.771 10 30 GHEERN Cc1cc(C)c(N2CC[C@@H](NC(=O)c3cccc(SCC#N)c3)C2=O)c(C)c1 ZINC000190558631 884097122 /nfs/dbraw/zinc/09/71/22/884097122.db2.gz DJRMONJSZNDZBI-LJQANCHMSA-N 0 0 393.512 3.763 10 30 GHEERN N#CCOc1ccc(C=CC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc1 ZINC000065818240 890189770 /nfs/dbraw/zinc/18/97/70/890189770.db2.gz CGJZFJKDUWDKPD-VMPITWQZSA-N 0 0 386.455 3.885 10 30 GHEERN COc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccc(C)c(C)c3)S2)cc1 ZINC000005197090 204117541 /nfs/dbraw/zinc/11/75/41/204117541.db2.gz UIWOEHAXWVNHMH-NKWDDMGQSA-N 0 0 397.500 3.902 10 30 GHEERN O=S(=O)(c1ccc(/N=C\c2ccc(Cl)cc2Cl)cc1)N1CCOCC1 ZINC000005944594 204158258 /nfs/dbraw/zinc/15/82/58/204158258.db2.gz XQVCSNCHYMUOLV-NDENLUEZSA-N 0 0 399.299 3.765 10 30 GHEERN N#Cc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000006871445 204217573 /nfs/dbraw/zinc/21/75/73/204217573.db2.gz MRUKPSGONWFRLV-QFIPXVFZSA-N 0 0 381.435 3.764 10 30 GHEERN C=CCN(CC=C)C(=O)c1csc(NC(=O)Cc2ccc(Cl)cc2)n1 ZINC000040355698 518769459 /nfs/dbraw/zinc/76/94/59/518769459.db2.gz UPZDSNMRRKSWAH-UHFFFAOYSA-N 0 0 375.881 3.792 10 30 GHEERN CCOc1cc(NC=C[C@@H](C#N)C(=O)OCc2ccccc2)ccc1NC(C)=O ZINC000100223279 520749122 /nfs/dbraw/zinc/74/91/22/520749122.db2.gz TVVIYZKMPJHRQV-DXRVJIQQSA-N 0 0 393.443 3.852 10 30 GHEERN COc1ccc(NC=CC(=O)c2noc(C)c2C(=O)Nc2nccs2)cc1 ZINC000003049094 524379880 /nfs/dbraw/zinc/37/98/80/524379880.db2.gz OIRWDROHFLLAJA-FPLPWBNLSA-N 0 0 384.417 3.509 10 30 GHEERN Cc1ccc(S(=O)(=O)OC[C@@H](O[C@H]2CCCCO2)c2ccccc2)cc1 ZINC000005546091 525621903 /nfs/dbraw/zinc/62/19/03/525621903.db2.gz SGSDYBVWAAOVHZ-UXHICEINSA-N 0 0 376.474 3.985 10 30 GHEERN O[C@]1(c2ccc(OC(F)F)cc2)CS/C(=N\c2cccnc2)N1C1CC1 ZINC000101741696 526320046 /nfs/dbraw/zinc/32/00/46/526320046.db2.gz XOWCQYKBGSEVFU-LSOGNMMWSA-N 0 0 377.416 3.727 10 30 GHEERN O=S(=O)(c1ccc(/N=C/c2ccc(Br)cc2)cc1)N1CCCC1 ZINC000100040677 527267855 /nfs/dbraw/zinc/26/78/55/527267855.db2.gz ZJRKBJFKGBYFKN-CPNJWEJPSA-N 0 0 393.306 3.984 10 30 GHEERN Cc1nccn1-c1ccc(C(=O)/C=C\c2ccc3c(c2)sc(=O)n3C)cc1 ZINC000588599261 834542227 /nfs/dbraw/zinc/54/22/27/834542227.db2.gz VHTQQFBBARSINW-WMZJFQQLSA-N 0 0 375.453 3.990 10 30 GHEERN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000329814858 834619717 /nfs/dbraw/zinc/61/97/17/834619717.db2.gz NSQHXCXPBPPQBA-IXDOHACOSA-N 0 0 379.526 3.664 10 30 GHEERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000329310608 834810038 /nfs/dbraw/zinc/81/00/38/834810038.db2.gz CHOOZBMCVDZKPM-JMPLFQLZSA-N 0 0 392.297 3.989 10 30 GHEERN O=C(NC1CN(C(=O)N[C@@H]2CCc3cc(Br)ccc32)C1)C1CCC1 ZINC000330195867 838953789 /nfs/dbraw/zinc/95/37/89/838953789.db2.gz ZXMNMPNTCZWMIR-MRXNPFEDSA-N 0 0 392.297 3.791 10 30 GHEERN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)N2CC[C@H]3CCC[C@H]32)c1 ZINC000330225441 840206477 /nfs/dbraw/zinc/20/64/77/840206477.db2.gz BDLDBMJYPSJQPP-OXQOHEQNSA-N 0 0 399.516 3.932 10 30 GHEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)/C=C\c1ccc(O)c(OCC)c1 ZINC000588412464 841411121 /nfs/dbraw/zinc/41/11/21/841411121.db2.gz LYXXVSRLZITILF-LUAWRHEFSA-N 0 0 382.416 3.927 10 30 GHEERN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[C@@H](C(F)(F)F)C3(C)C)C2)n1 ZINC000408276839 842008050 /nfs/dbraw/zinc/00/80/50/842008050.db2.gz LQKDPSBLKOPYJA-JKSUJKDBSA-N 0 0 394.441 3.668 10 30 GHEERN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000157458416 842105110 /nfs/dbraw/zinc/10/51/10/842105110.db2.gz KPYJEFYTTSYMEI-UHFFFAOYSA-N 0 0 381.480 3.566 10 30 GHEERN O=C(NC[C@@H]1CCCSC1)N1CCOC[C@H]1c1nc2ccccc2s1 ZINC000329350695 861313772 /nfs/dbraw/zinc/31/37/72/861313772.db2.gz TVDGRQYWEDCKJU-ZFWWWQNUSA-N 0 0 377.535 3.727 10 30 GHEERN C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000408337780 842571078 /nfs/dbraw/zinc/57/10/78/842571078.db2.gz HQUXWYZUYIIWDM-XIKSMUEASA-N 0 0 379.504 3.579 10 30 GHEERN CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCc2cncnc2C1 ZINC000329470082 861492370 /nfs/dbraw/zinc/49/23/70/861492370.db2.gz YNWROUJEBWTICL-SXYIGIQMSA-N 0 0 396.535 3.559 10 30 GHEERN CN1C(=O)CO[C@H](C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)[C@@H]1c1ccccc1 ZINC000329496648 861540653 /nfs/dbraw/zinc/54/06/53/861540653.db2.gz GDOYELRGBDHGDJ-QMMLZNLJSA-N 0 0 394.471 3.844 10 30 GHEERN CN1C(=O)CO[C@H](C(=O)N[C@@H]2CCc3cc(Cl)ccc32)[C@@H]1c1ccccc1 ZINC000329540614 861623615 /nfs/dbraw/zinc/62/36/15/861623615.db2.gz WSSICRWDKPILOO-HOJAQTOUSA-N 0 0 384.863 3.882 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)C2)nn1 ZINC000329592726 861727451 /nfs/dbraw/zinc/72/74/51/861727451.db2.gz OEQRBCYHGWDNIB-GOEBONIOSA-N 0 0 383.427 3.625 10 30 GHEERN C[C@@H]1Oc2c(cccc2C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)NC1=O ZINC000329097241 848115389 /nfs/dbraw/zinc/11/53/89/848115389.db2.gz LOBGWNUPCAZNJJ-QWHCGFSZSA-N 0 0 382.464 3.869 10 30 GHEERN Cc1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(Br)cc3)C2)nn1 ZINC000329660239 861965186 /nfs/dbraw/zinc/96/51/86/861965186.db2.gz ICVWHVAHLFGKGN-OAHLLOKOSA-N 0 0 390.285 3.542 10 30 GHEERN O=C(N[C@@H]1CCN(c2ccccc2)C1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000329131461 849763767 /nfs/dbraw/zinc/76/37/67/849763767.db2.gz AERPMFOEYSOOHT-SJLPKXTDSA-N 0 0 383.517 3.978 10 30 GHEERN Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H](C)c2ccccc2Cl)o1 ZINC000329899037 862406598 /nfs/dbraw/zinc/40/65/98/862406598.db2.gz FFKXYNINPUQZRX-UBHSHLNASA-N 0 0 395.866 3.555 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@H](C)c1ccc3c(c1)CCC(=O)N3)CCC2 ZINC000328658004 854492228 /nfs/dbraw/zinc/49/22/28/854492228.db2.gz QFYPOHTVHYYXPC-PBHICJAKSA-N 0 0 381.480 3.868 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N(Cc1cccs1)C[C@@H]1CCCO1)CCC2 ZINC000328700320 854514057 /nfs/dbraw/zinc/51/40/57/854514057.db2.gz IQDRUCDZLFMKCQ-IRXDYDNUSA-N 0 0 388.537 3.726 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCO[C@@H](c3ccc(F)c(C)c3)C1)CCC2 ZINC000328908038 854618169 /nfs/dbraw/zinc/61/81/69/854618169.db2.gz COGRXNMUQHBAEJ-PKOBYXMFSA-N 0 0 386.471 3.504 10 30 GHEERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000328918689 854622222 /nfs/dbraw/zinc/62/22/22/854622222.db2.gz AKOATXXHLGWHPX-HDMKZQKVSA-N 0 0 388.899 3.777 10 30 GHEERN COc1cc([C@H](C)Nc2cnn(-c3ncccc3C#N)c2)ccc1OC(F)F ZINC000185999731 862671094 /nfs/dbraw/zinc/67/10/94/862671094.db2.gz MOAOXWSTJSMICR-LBPRGKRZSA-N 0 0 385.374 3.922 10 30 GHEERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000330251274 862696300 /nfs/dbraw/zinc/69/63/00/862696300.db2.gz HNWASUGHAKATQV-MFKWGIFDSA-N 0 0 390.549 3.524 10 30 GHEERN CC(C)c1noc([C@H](NC(=O)N[C@H](C)c2cccs2)C2CCOCC2)n1 ZINC000330328613 862911857 /nfs/dbraw/zinc/91/18/57/862911857.db2.gz LVXLUOJDCIRFJD-IUODEOHRSA-N 0 0 378.498 3.987 10 30 GHEERN N#C[C@@H]1N(C(=O)C[C@H]2Sc3ccccc3NC2=O)CCC[C@@]12CCCCO2 ZINC000329031270 860961762 /nfs/dbraw/zinc/96/17/62/860961762.db2.gz XEBJVFOSEXFMOL-UWVAXJGDSA-N 0 0 385.489 3.593 10 30 GHEERN CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)Nc2ccc3c(c2F)CCNC3=O)C1 ZINC000329076933 860996964 /nfs/dbraw/zinc/99/69/64/860996964.db2.gz CKVJIUCTLJRQHA-GFCCVEGCSA-N 0 0 390.459 3.699 10 30 GHEERN Cc1ccc2c(c1)CC[C@@H](C(=O)NC[C@H]1CC[C@@H](c3nc(C4CC4)no3)O1)O2 ZINC000329132788 861052937 /nfs/dbraw/zinc/05/29/37/861052937.db2.gz YNPAPSNDCKCYRE-NJAFHUGGSA-N 0 0 383.448 3.826 10 30 GHEERN COc1cc(/C=C/C(=O)N[C@H](c2ccccc2)c2ccccn2)ccc1OCC#N ZINC000023996883 878008854 /nfs/dbraw/zinc/00/88/54/878008854.db2.gz VCVQRGPXGIRXBG-CYNGKWMKSA-N 0 0 399.450 3.912 10 30 GHEERN N#CC1(NC(=O)CC2(CC(=O)NC3(C#N)CCCC3)CCCCC2)CCCC1 ZINC000105600473 884820414 /nfs/dbraw/zinc/82/04/14/884820414.db2.gz YQZIHHBJICGCNQ-UHFFFAOYSA-N 0 0 384.524 3.622 10 30 GHEERN C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(OC)cc2)nnc1C1CC1 ZINC000053423863 888228041 /nfs/dbraw/zinc/22/80/41/888228041.db2.gz DWPISKIPRQJDDM-SFHVURJKSA-N 0 0 398.532 3.806 10 30 GHEERN CCCCCCCS(=O)(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000195455392 888666831 /nfs/dbraw/zinc/66/68/31/888666831.db2.gz XFVMVEJCXZVNLJ-IBGZPJMESA-N 0 0 384.517 3.509 10 30 GHEERN Cc1ccc(C(=O)N[C@@H](CC(=O)NC2(C#N)CCCC2)c2ccccc2)cc1 ZINC000105600458 891265633 /nfs/dbraw/zinc/26/56/33/891265633.db2.gz NBJUOMQYBWMXGS-FQEVSTJZSA-N 0 0 375.472 3.809 10 30 GHEERN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]2C[C@@H](O)c2ccco2)c1C ZINC000246565816 891287149 /nfs/dbraw/zinc/28/71/49/891287149.db2.gz KWZOYPGXXBPCRK-TZIWHRDSSA-N 0 0 395.503 3.731 10 30 GHEERN CC1CCN(S(=O)(=O)c2ccc(/N=C\c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000005791844 204150980 /nfs/dbraw/zinc/15/09/80/204150980.db2.gz UNOCMICCYSMADF-ZHZULCJRSA-N 0 0 387.461 3.766 10 30 GHEERN COc1cccc(NC(=O)c2ccc(C)c(C#Cc3cnc4ccnn4c3)c2)c1 ZINC000095591526 206217246 /nfs/dbraw/zinc/21/72/46/206217246.db2.gz XPQJKJDXIUJKQM-UHFFFAOYSA-N 0 0 382.423 3.698 10 30 GHEERN CC(=O)/N=C1\NC(=O)/C(=C\c2ccc(-c3ccc(OC(F)(F)F)cc3)o2)S1 ZINC000033298371 519355821 /nfs/dbraw/zinc/35/58/21/519355821.db2.gz NHDWJGXERCDXFP-RIYZIHGNSA-N 0 0 396.346 3.952 10 30 GHEERN CCN(CC)c1ccc(/N=C2\C=C(C(=O)NC)C(=O)c3ccccc32)c(C)c1 ZINC000055167572 520885719 /nfs/dbraw/zinc/88/57/19/520885719.db2.gz ICEZCGKMKDYPQG-NJNXFGOHSA-N 0 0 375.472 3.831 10 30 GHEERN O=[N+]([O-])c1cc(/C=N/c2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1Cl ZINC000100040711 527326887 /nfs/dbraw/zinc/32/68/87/527326887.db2.gz NNXMTVBDOSBNNQ-XDHOZWIPSA-N 0 0 393.852 3.783 10 30 GHEERN O=C(/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21)c1ccc([N+](=O)[O-])o1 ZINC000013302014 527661748 /nfs/dbraw/zinc/66/17/48/527661748.db2.gz SYEMUMXICBRBLO-FXBPSFAMSA-N 0 0 382.763 3.639 10 30 GHEERN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@H](OC(C)=O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000002557190 560187706 /nfs/dbraw/zinc/18/77/06/560187706.db2.gz XEXPFKWHLWMBQT-OLLSANEXSA-N 0 0 388.504 3.992 10 30 in-vitro GHEERN COc1ccc(CCNC(=NC(=O)c2ccc(F)cc2)OC(C)C)cc1OC ZINC000004562282 570889407 /nfs/dbraw/zinc/88/94/07/570889407.db2.gz PYYKXBBMJBPCSL-UHFFFAOYSA-N 0 0 388.439 3.596 10 30 GHEERN COc1ccc(CCC(C)=NOCC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000588600116 834547116 /nfs/dbraw/zinc/54/71/16/834547116.db2.gz QWYWDOCJHJCCCC-INIZCTEOSA-N 0 0 386.414 3.821 10 30 GHEERN O=C(c1ccccc1Cl)N1C/C(=C\c2cocn2)C(=O)/C(=C/c2cocn2)C1 ZINC000588579497 834674445 /nfs/dbraw/zinc/67/44/45/834674445.db2.gz SJCYNQOAAUVYJR-ACFHMISVSA-N 0 0 395.802 3.508 10 30 GHEERN Cc1ccc(C[C@H](C)NC(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)c(C)c1 ZINC000329507811 835161062 /nfs/dbraw/zinc/16/10/62/835161062.db2.gz ABJKFPQFMMDSFK-AZUAARDMSA-N 0 0 381.524 3.505 10 30 GHEERN Cn1ccc(N2CCC[C@H](NC(=O)c3cccc(OC4CCCCC4)c3)C2=O)n1 ZINC000329612840 835382499 /nfs/dbraw/zinc/38/24/99/835382499.db2.gz DTOHRINVLLCRTM-IBGZPJMESA-N 0 0 396.491 3.632 10 30 GHEERN CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@]23CCOc2ccccc23)C1 ZINC000329685664 835682676 /nfs/dbraw/zinc/68/26/76/835682676.db2.gz FOYODFMHCVPMGM-TXBYWVTISA-N 0 0 384.520 3.968 10 30 GHEERN O=C(Nc1cc(F)cc(N2CCOCC2)c1)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329733877 835809776 /nfs/dbraw/zinc/80/97/76/835809776.db2.gz QZVYVMHKCLJSDA-SIKLNZKXSA-N 0 0 382.435 3.991 10 30 GHEERN N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@@H]3Cn3ccnc3)c2)cc1 ZINC000177751604 839301662 /nfs/dbraw/zinc/30/16/62/839301662.db2.gz FYDALFMODRPZIR-OAQYLSRUSA-N 0 0 386.455 3.639 10 30 GHEERN CN(c1c(C#N)cnc2ccc(Cl)cc21)[C@@H]1CCCN(c2cccnn2)C1 ZINC000301399037 841178092 /nfs/dbraw/zinc/17/80/92/841178092.db2.gz HSMYVAKLYZTIFA-MRXNPFEDSA-N 0 0 378.867 3.655 10 30 GHEERN C[C@@H]1CN(Cc2ccccc2CNC(=O)C[C@@H]2CCCCNC2=O)C[C@@H](C)O1 ZINC000329247567 861197878 /nfs/dbraw/zinc/19/78/78/861197878.db2.gz RWQZGDVIQWFNAG-KURKYZTESA-N 0 0 387.524 3.899 10 30 GHEERN C=CCN(C(=O)/C=C\c1ccncn1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000588435392 842545284 /nfs/dbraw/zinc/54/52/84/842545284.db2.gz JTDBNZBPTYYQNI-YVMONPNESA-N 0 0 393.428 3.741 10 30 GHEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000588438650 842732090 /nfs/dbraw/zinc/73/20/90/842732090.db2.gz KPEALZPEWGPEFT-SSZFMOIBSA-N 0 0 391.427 3.940 10 30 GHEERN O=C(NCc1ccnc(OC2CCCC2)c1)[C@H]1CSCN1C(=O)C1CCC1 ZINC000328912467 842876810 /nfs/dbraw/zinc/87/68/10/842876810.db2.gz OZDYFSIEVGTONW-QGZVFWFLSA-N 0 0 389.521 3.561 10 30 GHEERN N#Cc1ccc(-c2csc(=Nc3ccccn3)n2N=Cc2cccnc2)cc1 ZINC000588458218 843545686 /nfs/dbraw/zinc/54/56/86/843545686.db2.gz NOAALOFLJKSLII-UHFFFAOYSA-N 0 0 382.452 3.993 10 30 GHEERN Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)n1 ZINC000329546451 861628799 /nfs/dbraw/zinc/62/87/99/861628799.db2.gz DKVVUUMOZGEZNT-IRXDYDNUSA-N 0 0 392.569 3.787 10 30 GHEERN Cc1cc(C)c(C#N)c(N2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)n1 ZINC000333536483 846247999 /nfs/dbraw/zinc/24/79/99/846247999.db2.gz YZZIISDJEYANKN-VGOFRKELSA-N 0 0 386.459 3.573 10 30 GHEERN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000329564822 861671303 /nfs/dbraw/zinc/67/13/03/861671303.db2.gz SKMUAMQXDXBEAD-OPYAIIAOSA-N 0 0 396.491 3.892 10 30 GHEERN CC(=O)N1C[C@H](CCC(=O)NC[C@H]2CCCn3cc(C)nc32)c2ccccc21 ZINC000329594965 861730439 /nfs/dbraw/zinc/73/04/39/861730439.db2.gz BQVVRIFHVMXNJA-MSOLQXFVSA-N 0 0 380.492 3.956 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCc4cc(Cl)ccc43)C2)nn1 ZINC000329613316 861775217 /nfs/dbraw/zinc/77/52/17/861775217.db2.gz RURLQLHXGLUKHU-FUHWJXTLSA-N 0 0 385.899 3.598 10 30 GHEERN CC(C)c1nc(C2(NCC(=O)Nc3nc4c(s3)CCC4)CCCC2)no1 ZINC000329677772 862010258 /nfs/dbraw/zinc/01/02/58/862010258.db2.gz VFXKWCBIBZCLAE-UHFFFAOYSA-N 0 0 375.498 3.785 10 30 GHEERN CN(C(=O)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@@H]1CCc2ccccc21 ZINC000329699304 862104297 /nfs/dbraw/zinc/10/42/97/862104297.db2.gz GAYCXLWOBNWGTA-NXHRZFHOSA-N 0 0 382.464 3.700 10 30 GHEERN Cc1ccc(I)c(C(=O)N(CCC#N)Cc2ccco2)c1 ZINC000101515985 851632223 /nfs/dbraw/zinc/63/22/23/851632223.db2.gz PXLUYFFNLCCGRL-UHFFFAOYSA-N 0 0 394.212 3.749 10 30 GHEERN Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)NC[C@@H]2CCCN2c2cccnn2)cc1 ZINC000329810198 862335645 /nfs/dbraw/zinc/33/56/45/862335645.db2.gz MMADAFWDSLHKKY-ZJOUEHCJSA-N 0 0 380.492 3.878 10 30 GHEERN CCn1cc(C2CCN(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)CC2)cn1 ZINC000329851795 862373671 /nfs/dbraw/zinc/37/36/71/862373671.db2.gz RABACLKNADXKGK-UHFFFAOYSA-N 0 0 378.379 3.650 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@H](Oc3ccccc3Cl)C1)CCC2 ZINC000328660302 854494164 /nfs/dbraw/zinc/49/41/64/854494164.db2.gz VECFKYFLWFRVIJ-HOTGVXAUSA-N 0 0 388.899 3.790 10 30 GHEERN Cc1ccc(NC(=O)[C@H](C)N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1C ZINC000328708281 854517223 /nfs/dbraw/zinc/51/72/23/854517223.db2.gz ZUGZWXCMLPWZLL-YGKZAACZSA-N 0 0 388.471 3.625 10 30 GHEERN Cn1ccnc1[C@@H]1CCN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000328773238 854535403 /nfs/dbraw/zinc/53/54/03/854535403.db2.gz BMBRXYRIGDKLIG-SJLPKXTDSA-N 0 0 380.492 3.960 10 30 GHEERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000328732396 854540789 /nfs/dbraw/zinc/54/07/89/854540789.db2.gz JAFYPUQQVIHXEN-VYDXJSESSA-N 0 0 395.569 3.789 10 30 GHEERN Cc1cn2c(n1)[C@@H](CNC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1)CCC2 ZINC000328839681 854570589 /nfs/dbraw/zinc/57/05/89/854570589.db2.gz UIOPQSRYCFMMDA-RTBURBONSA-N 0 0 380.492 3.525 10 30 GHEERN Cc1cccc(Oc2ccccc2NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000328956949 854616004 /nfs/dbraw/zinc/61/60/04/854616004.db2.gz NWEKOLBXSHGYSO-FPOVZHCZSA-N 0 0 381.476 3.738 10 30 GHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000330119814 862589537 /nfs/dbraw/zinc/58/95/37/862589537.db2.gz AWLQHURUAIICKO-WPKBUWHJSA-N 0 0 392.862 3.526 10 30 GHEERN Cn1nccc1N1CCC[C@@H](NC(=O)C2(c3ccc(F)cc3)CCCCC2)C1=O ZINC000330119701 862587922 /nfs/dbraw/zinc/58/79/22/862587922.db2.gz ATQRXGZJZKFDGC-GOSISDBHSA-N 0 0 398.482 3.913 10 30 GHEERN O=C(Nc1scnc1C1CC1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000330281883 862721205 /nfs/dbraw/zinc/72/12/05/862721205.db2.gz AEELEMNQQGBCDO-HNNXBMFYSA-N 0 0 399.520 3.715 10 30 GHEERN Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)cn1 ZINC000330325770 862906807 /nfs/dbraw/zinc/90/68/07/862906807.db2.gz JNKXEROIDNSXKA-CMKODMSKSA-N 0 0 383.496 3.843 10 30 GHEERN Cc1ccc(CNC(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)s1 ZINC000330325981 862908585 /nfs/dbraw/zinc/90/85/85/862908585.db2.gz JSBJWNIAYHXCBZ-INIZCTEOSA-N 0 0 386.521 3.619 10 30 GHEERN CC(=O)N1C[C@@H](CCC(=O)N[C@H]2CCCO[C@@H]2c2nccn2C)c2ccccc21 ZINC000330329456 862913126 /nfs/dbraw/zinc/91/31/26/862913126.db2.gz MPOFNUXRNRZNOY-MMOPVJDHSA-N 0 0 396.491 3.527 10 30 GHEERN Cc1ccc([C@H]2CN(C(=O)Nc3cc(C#N)ccc3OC(F)F)CCO2)o1 ZINC000153931120 859935119 /nfs/dbraw/zinc/93/51/19/859935119.db2.gz XGILGHHWPHHAHY-MRXNPFEDSA-N 0 0 377.347 3.667 10 30 GHEERN C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329060440 860983842 /nfs/dbraw/zinc/98/38/42/860983842.db2.gz UQLSCTCEZXZJMT-UKPHBRMFSA-N 0 0 382.464 3.605 10 30 GHEERN Cn1nccc1[C@H]1[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)CCC(=O)N1C1CC1 ZINC000329181701 861112743 /nfs/dbraw/zinc/11/27/43/861112743.db2.gz NNRWZEZTTGSSBW-RFXGOZDISA-N 0 0 396.535 3.788 10 30 GHEERN Cc1noc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n1 ZINC000102033432 866613150 /nfs/dbraw/zinc/61/31/50/866613150.db2.gz MCMLEUCTBCVQIO-UHFFFAOYSA-N 0 0 377.404 3.715 10 30 GHEERN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000457459239 868298918 /nfs/dbraw/zinc/29/89/18/868298918.db2.gz DNDMJKMDKZCPMQ-OALUTQOASA-N 0 0 377.912 3.876 10 30 GHEERN COc1cc(/C=C/C(=O)Nc2cccc(-c3nnc(C)o3)c2)ccc1OCC#N ZINC000174370245 882458758 /nfs/dbraw/zinc/45/87/58/882458758.db2.gz RRLUHUDUCHVJOJ-VQHVLOKHSA-N 0 0 390.399 3.608 10 30 GHEERN Cc1cc(=O)oc2cc(OS(=O)(=O)c3ccc(F)c(C#N)c3)c(Cl)cc12 ZINC000103152386 871362697 /nfs/dbraw/zinc/36/26/97/871362697.db2.gz LBXJIEIHQDYZST-UHFFFAOYSA-N 0 0 393.779 3.533 10 30 GHEERN COc1cccc(N2CCC[C@H](NC(=O)c3cccc(SCC#N)c3)C2)c1 ZINC000175982351 882653820 /nfs/dbraw/zinc/65/38/20/882653820.db2.gz PRTBOQGWNXEZNM-KRWDZBQOSA-N 0 0 381.501 3.710 10 30 GHEERN C=CCOCCCC(=O)Nc1ccc(Cl)cc1-c1nc(CCOC)no1 ZINC000177550213 882814604 /nfs/dbraw/zinc/81/46/04/882814604.db2.gz VTCBZHPSWJOZAN-UHFFFAOYSA-N 0 0 379.844 3.500 10 30 GHEERN COc1ccc([C@H]2C[C@H](C)N(C(=O)CCc3c(C)nn(CCC#N)c3C)C2)cc1 ZINC000121948479 878061425 /nfs/dbraw/zinc/06/14/25/878061425.db2.gz FMOVWLUKMACNNU-JXFKEZNVSA-N 0 0 394.519 3.759 10 30 GHEERN CCCCCCCCc1nnc(NC(=O)N2CCC(n3cncn3)CC2)s1 ZINC000101739316 885951229 /nfs/dbraw/zinc/95/12/29/885951229.db2.gz OWFNIESPFLJGIA-UHFFFAOYSA-N 0 0 391.545 3.902 10 30 GHEERN N#CCOc1ccc(/C=C/C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1 ZINC000029173363 886194613 /nfs/dbraw/zinc/19/46/13/886194613.db2.gz ZYRVEHQORMWACH-FPYGCLRLSA-N 0 0 375.403 3.807 10 30 GHEERN N#CCOc1ccc(/C=C/C(=O)NCc2ccc(N3CCCCCC3)nc2)cc1 ZINC000058354819 888432903 /nfs/dbraw/zinc/43/29/03/888432903.db2.gz IFTLJQWWOYSSPH-XYOKQWHBSA-N 0 0 390.487 3.694 10 30 GHEERN C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000193627303 888512700 /nfs/dbraw/zinc/51/27/00/888512700.db2.gz BQPYKRCYMFNLCD-LJQANCHMSA-N 0 0 379.460 3.519 10 30 GHEERN COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000103799017 909249292 /nfs/dbraw/zinc/24/92/92/909249292.db2.gz GKENTHMQPKZJKF-OAHLLOKOSA-N 0 0 377.375 3.586 10 30 GHEERN CC1CCN(S(=O)(=O)c2ccc(/N=C\c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000005791826 204151329 /nfs/dbraw/zinc/15/13/29/204151329.db2.gz ZQIHFAAEFMMSBM-ZHZULCJRSA-N 0 0 387.461 3.766 10 30 GHEERN COc1ncc(-c2cc(-c3ccc(N4CCCCC4)cc3)nc(N)c2C#N)cn1 ZINC000071759837 136166269 /nfs/dbraw/zinc/16/62/69/136166269.db2.gz LZUSRNFBMDYMIM-UHFFFAOYSA-N 0 0 386.459 3.658 10 30 GHEERN Cn1cc(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)c[nH]2)c([C@H]2CCOC2)n1 ZINC000329499622 570465243 /nfs/dbraw/zinc/46/52/43/570465243.db2.gz KBKPLCOEJAZEES-IGMNZBQBSA-N 0 0 395.507 3.751 10 30 GHEERN C=CCc1cc(OC)c(O[C@H](C)[C@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000013311357 574413097 /nfs/dbraw/zinc/41/30/97/574413097.db2.gz IQBXVNSNERBTIG-SZNDQCEHSA-N 0 0 388.460 3.950 10 30 endogenous,in-man GHEERN O=C1/C(=C\c2cocn2)CN(Cc2ccccc2Cl)C/C1=C/c1cocn1 ZINC000588579197 834659875 /nfs/dbraw/zinc/65/98/75/834659875.db2.gz YONDMJOFJMCDGQ-KNBRTIFXSA-N 0 0 381.819 3.868 10 30 GHEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CCCN(c3ccccc3)CC1)C2 ZINC000329268688 834680827 /nfs/dbraw/zinc/68/08/27/834680827.db2.gz IELYDDQMMQJWTD-SFHVURJKSA-N 0 0 395.551 3.622 10 30 GHEERN Cc1ccc([C@H]2CN(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)CCO2)o1 ZINC000158854271 835568789 /nfs/dbraw/zinc/56/87/89/835568789.db2.gz YIGJSPPLMSZBTO-QFBILLFUSA-N 0 0 399.516 3.994 10 30 GHEERN Cc1ccc(N2CCC[C@@H](NC(=O)NC3(c4ccccc4)CCCC3)C2)nn1 ZINC000329695963 835727079 /nfs/dbraw/zinc/72/70/79/835727079.db2.gz XRMUXZSBEUQLMV-LJQANCHMSA-N 0 0 379.508 3.727 10 30 GHEERN Cn1c(=O)sc2cc(/C=C\C(=O)c3c(Cl)nc4sccn43)ccc21 ZINC000588590202 835794031 /nfs/dbraw/zinc/79/40/31/835794031.db2.gz IBELWJDSFOQOQY-HYXAFXHYSA-N 0 0 375.862 3.859 10 30 GHEERN Cc1csc(C2CCN(CC(=O)Nc3ccccc3SCC#N)CC2)n1 ZINC000103472893 837333607 /nfs/dbraw/zinc/33/36/07/837333607.db2.gz LOHIXIHILPKFJL-UHFFFAOYSA-N 0 0 386.546 3.885 10 30 GHEERN O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000329242881 861194726 /nfs/dbraw/zinc/19/47/26/861194726.db2.gz SNQLSFXQNXTGKG-AVCGJXAMSA-N 0 0 378.472 3.810 10 30 GHEERN Cn1cc([C@H]2CCCN2C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cn1 ZINC000328933701 842946131 /nfs/dbraw/zinc/94/61/31/842946131.db2.gz DXOQVAFYWGTJPZ-PQGQHUGISA-N 0 0 384.524 3.647 10 30 GHEERN Cc1cc(N2CCC[C@H](N[C@H]3CCC[C@@H]3C#N)C2=O)ccc1Br ZINC000333553171 846707750 /nfs/dbraw/zinc/70/77/50/846707750.db2.gz FXYLCHHGHKHKDX-COXVUDFISA-N 0 0 376.298 3.535 10 30 GHEERN Cc1ccc(NS(C)(=O)=O)c(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)c1 ZINC000329599258 861734805 /nfs/dbraw/zinc/73/48/05/861734805.db2.gz JSMMYPVDQKRTEX-YWZLYKJASA-N 0 0 386.473 3.695 10 30 GHEERN Cc1ccc([C@H](C)NC(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)cc1F ZINC000329904851 862412312 /nfs/dbraw/zinc/41/23/12/862412312.db2.gz AFSRLFAZPJLFRP-BBRMVZONSA-N 0 0 376.432 3.689 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@H]1c1cccc3c1OCCO3)CCC2 ZINC000328649608 854488910 /nfs/dbraw/zinc/48/89/10/854488910.db2.gz ITGNGEKMXMZJFC-WMZOPIPTSA-N 0 0 396.491 3.591 10 30 GHEERN COc1ccc([C@@H]2CCCN2C(=O)NC[C@@H]2CCCn3cc(C)nc32)c(OC)c1 ZINC000328657036 854491656 /nfs/dbraw/zinc/49/16/56/854491656.db2.gz OIUQGDNXAJNWIP-LPHOPBHVSA-N 0 0 398.507 3.837 10 30 GHEERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000328726447 854538188 /nfs/dbraw/zinc/53/81/88/854538188.db2.gz ZPQZFHYCWCZWDP-YSIASYRMSA-N 0 0 386.536 3.771 10 30 GHEERN COCCn1cc2c(n1)[C@@H](NC(=O)[C@@H]1C[C@]13CCOc1ccccc13)CCC2 ZINC000328806586 854543145 /nfs/dbraw/zinc/54/31/45/854543145.db2.gz NLQKPHNWSIKZOT-SPEDKVCISA-N 0 0 381.476 3.604 10 30 GHEERN Cc1ccc(NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c(OCc2ccccc2)c1 ZINC000328916039 854620168 /nfs/dbraw/zinc/62/01/68/854620168.db2.gz AEOPSXZUTMGMIF-NHCUHLMSSA-N 0 0 395.503 3.524 10 30 GHEERN CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)C12CCCCC2 ZINC000328917953 854621404 /nfs/dbraw/zinc/62/14/04/854621404.db2.gz ACEAZSLCAPIUAK-NXWXRZEISA-N 0 0 375.513 3.972 10 30 GHEERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCn2c(nnc2C2CC2)C1 ZINC000330152053 862619351 /nfs/dbraw/zinc/61/93/51/862619351.db2.gz WMMRNSZBDKTRNA-QGZVFWFLSA-N 0 0 393.491 3.722 10 30 GHEERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@H](C)C2(c3ccccc3)CCCC2)C1 ZINC000330177288 862635277 /nfs/dbraw/zinc/63/52/77/862635277.db2.gz KQELPHWFYRYUQW-AYOQOUSVSA-N 0 0 398.507 3.954 10 30 GHEERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000330203640 862660688 /nfs/dbraw/zinc/66/06/88/862660688.db2.gz AZQDWNCYQJNRNA-USYVTKNRSA-N 0 0 390.549 3.667 10 30 GHEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(Br)cc1O ZINC000186002170 862677275 /nfs/dbraw/zinc/67/72/75/862677275.db2.gz CRKHTAFHULBEBV-LLVKDONJSA-N 0 0 384.237 3.780 10 30 GHEERN C[C@@H]1CN(C(=O)N[C@H](Cc2ccccn2)c2ccccc2)C[C@@]2(CCCOC2)O1 ZINC000330244600 862689796 /nfs/dbraw/zinc/68/97/96/862689796.db2.gz DGLGEMMXVPUCNK-JMUQELJHSA-N 0 0 395.503 3.549 10 30 GHEERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CC=C(c2cccc3ccccc32)C1 ZINC000330259776 862700922 /nfs/dbraw/zinc/70/09/22/862700922.db2.gz NSPCEWVUNBVWCD-NHCUHLMSSA-N 0 0 398.528 3.809 10 30 GHEERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCC(O)(C(F)F)CC1 ZINC000330280864 862719597 /nfs/dbraw/zinc/71/95/97/862719597.db2.gz TVFIZRMVOYDVRH-OAHLLOKOSA-N 0 0 380.435 3.829 10 30 GHEERN O=C(N[C@@H]1CCOc2ccccc21)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000329010023 860945244 /nfs/dbraw/zinc/94/52/44/860945244.db2.gz HVCIMROXYWMUEG-IAGOWNOFSA-N 0 0 394.427 3.500 10 30 GHEERN CN1CCO[C@@H]2CCN(C(=O)Nc3ccccc3Oc3cccc(F)c3)C[C@@H]21 ZINC000329042262 860970588 /nfs/dbraw/zinc/97/05/88/860970588.db2.gz TVXFEVNURCIGLG-AZUAARDMSA-N 0 0 385.439 3.568 10 30 GHEERN Cc1ccccc1COc1cccc(NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c1 ZINC000329058262 860982218 /nfs/dbraw/zinc/98/22/18/860982218.db2.gz YIPQSVUXBFMNHQ-FGZHOGPDSA-N 0 0 395.503 3.524 10 30 GHEERN O=C(CN1CCN(c2nc3ccccc3o2)CC1)Nc1nc2c(s1)CCCC2 ZINC000329205444 861139329 /nfs/dbraw/zinc/13/93/29/861139329.db2.gz ZHOZIVYRRQCXIT-UHFFFAOYSA-N 0 0 397.504 3.573 10 30 GHEERN C=C(C)COc1cccc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)c1 ZINC000172956023 882325534 /nfs/dbraw/zinc/32/55/34/882325534.db2.gz BHORNZGJSREARM-UHFFFAOYSA-N 0 0 379.460 3.527 10 30 GHEERN C[C@H](NC(=O)/C=C/c1ccc(OCC#N)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000174736689 882497983 /nfs/dbraw/zinc/49/79/83/882497983.db2.gz UCPOTTZBJLYKKT-RNVIBTMRSA-N 0 0 392.390 3.669 10 30 GHEERN N#CCCN(Cc1ccco1)S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000103267253 871568526 /nfs/dbraw/zinc/56/85/26/871568526.db2.gz VLTKPBYYUWMWKF-XYOKQWHBSA-N 0 0 395.278 3.758 10 30 GHEERN COc1ccc(-c2n[nH]cc2C=CC(=O)c2ccc(OC)c(NC(C)=O)c2)cc1 ZINC000102200749 872747984 /nfs/dbraw/zinc/74/79/84/872747984.db2.gz OUUZUTHPWOQOBR-UXBLZVDNSA-N 0 0 391.427 3.948 10 30 GHEERN N#C[C@@H]1CCC[C@H]1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000061889717 888649969 /nfs/dbraw/zinc/64/99/69/888649969.db2.gz YPYBHFIMIGGQSM-WRWORJQWSA-N 0 0 398.109 3.726 10 30 GHEERN C#CC[C@H](OC(=O)c1ccc(OCC(F)(F)C(F)F)nc1)c1ccccn1 ZINC000105550007 875326659 /nfs/dbraw/zinc/32/66/59/875326659.db2.gz AXXUNEBYDJXUQA-AWEZNQCLSA-N 0 0 382.313 3.677 10 30 GHEERN CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)cc1 ZINC000194133294 888559341 /nfs/dbraw/zinc/55/93/41/888559341.db2.gz YSOSXTKAIPJWQO-GOSISDBHSA-N 0 0 381.501 3.721 10 30 GHEERN COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-n3cccc3)c(F)c2)c1 ZINC000103798487 909248218 /nfs/dbraw/zinc/24/82/18/909248218.db2.gz GGNDCNPABMYWAV-KRWDZBQOSA-N 0 0 377.375 3.586 10 30 GHEERN CCNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccc(F)cc2)S1 ZINC000005952578 204158924 /nfs/dbraw/zinc/15/89/24/204158924.db2.gz JXPKCKVENTWDRM-YQMDHOPXSA-N 0 0 399.491 3.526 10 30 GHEERN CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)[C@@H](O)CC ZINC000064526974 205189679 /nfs/dbraw/zinc/18/96/79/205189679.db2.gz ZONFRAIWEKRZGK-PETPMUQLSA-N 0 0 385.589 3.853 10 30 GHEERN COc1ccccc1NC(=O)c1ccc(C)c(C#Cc2cnc3ccnn3c2)c1 ZINC000095592019 206218288 /nfs/dbraw/zinc/21/82/88/206218288.db2.gz INQIIYZNPFFIAO-UHFFFAOYSA-N 0 0 382.423 3.698 10 30 GHEERN C=CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(OC)cc3)c2C)C(=O)NC1=S ZINC000033423877 518831787 /nfs/dbraw/zinc/83/17/87/518831787.db2.gz VWGYTNSEJWKGOV-PDGQHHTCSA-N 0 0 395.484 3.756 10 30 GHEERN O=C(/C=C\c1ccc2c(c1)OCO2)c1ccc(I)cc1 ZINC000033409709 527657193 /nfs/dbraw/zinc/65/71/93/527657193.db2.gz FSMDBCUVYFAAET-XFSBKJJWSA-N 0 0 378.165 3.916 10 30 GHEERN O=C(NCc1ccc(OC2CCCC2)nc1)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000329163479 834484469 /nfs/dbraw/zinc/48/44/69/834484469.db2.gz GFLRSOVCQNTPHW-KRWDZBQOSA-N 0 0 389.521 3.561 10 30 GHEERN CCc1nccn1[C@@H]1CCCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000246907803 835135688 /nfs/dbraw/zinc/13/56/88/835135688.db2.gz ADLMQOAGXQXRMJ-HUUCEWRRSA-N 0 0 397.548 3.531 10 30 GHEERN Cc1ccc(C[C@H](C)NC(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)c(C)c1 ZINC000329507823 835161082 /nfs/dbraw/zinc/16/10/82/835161082.db2.gz ABJKFPQFMMDSFK-ICSRJNTNSA-N 0 0 381.524 3.505 10 30 GHEERN C[C@@H]1CCC[C@H](CC(=O)NC[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)C1 ZINC000329894493 835298233 /nfs/dbraw/zinc/29/82/33/835298233.db2.gz BHTXZKUELCASHY-QZWWFDLISA-N 0 0 377.508 3.632 10 30 GHEERN Cc1ccc(N2CCC[C@@H](NC(=O)NC(C)(C)Cc3ccccc3C)C2)nn1 ZINC000329665894 835568493 /nfs/dbraw/zinc/56/84/93/835568493.db2.gz KRFZMBUELYDJED-LJQANCHMSA-N 0 0 381.524 3.587 10 30 GHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000333224416 844342936 /nfs/dbraw/zinc/34/29/36/844342936.db2.gz SMKQPCOXRPGEID-XKQJLSEDSA-N 0 0 391.313 3.727 10 30 GHEERN Cc1cc(C)n(-c2ccc(CCNC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cc2)n1 ZINC000330090854 839373797 /nfs/dbraw/zinc/37/37/97/839373797.db2.gz XEKUXUJRHSAAHN-NZQKXSOJSA-N 0 0 396.535 3.573 10 30 GHEERN N#C[C@@]1(c2nc(-c3cc(F)c(N4CCOCC4)c(F)c3)no2)CC12CCCC2 ZINC000333267287 844470273 /nfs/dbraw/zinc/47/02/73/844470273.db2.gz VLFSAMHERLJUBU-HXUWFJFHSA-N 0 0 386.402 3.577 10 30 GHEERN Cc1ccc([C@H](CNC(=O)C[C@@H]2CCCCNC2=O)N2CCOCC2)s1 ZINC000329305288 861267295 /nfs/dbraw/zinc/26/72/95/861267295.db2.gz YGJYSDDIWUHRJU-HOTGVXAUSA-N 0 0 379.526 3.533 10 30 GHEERN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)N[C@]1(C)CCO[C@@H]1C1CC1 ZINC000329498324 861540162 /nfs/dbraw/zinc/54/01/62/861540162.db2.gz FGXWZCMCXKCBNJ-UDTVLSCZSA-N 0 0 388.434 3.584 10 30 GHEERN O=C(CC1CCCC1)NCC(=O)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000329555107 861650278 /nfs/dbraw/zinc/65/02/78/861650278.db2.gz BLQWAYQUZKEKHM-ZDUSSCGKSA-N 0 0 386.418 3.671 10 30 GHEERN COc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)cc1 ZINC000329567828 861673010 /nfs/dbraw/zinc/67/30/10/861673010.db2.gz HUKFDTKJTCKMMO-QUCCMNQESA-N 0 0 395.507 3.514 10 30 GHEERN COCCn1cc2c(n1)[C@H](NC(=O)N[C@@H]1CCCc3cc(F)ccc31)CCC2 ZINC000329602554 861748474 /nfs/dbraw/zinc/74/84/74/861748474.db2.gz YDCLYVXRRFFKDR-RTBURBONSA-N 0 0 386.471 3.627 10 30 GHEERN CCO[C@@H]1C[C@H](NC(=O)C[C@@H]2Sc3ccccc3NC2=O)[C@@]12CCCO2 ZINC000329778979 862317004 /nfs/dbraw/zinc/31/70/04/862317004.db2.gz LNJKTUMAJGJXGB-GGXPGOJBSA-N 0 0 376.478 3.822 10 30 GHEERN CC(C)c1nnc([C@@H]2CN(C(=O)N[C@@H]3CCCc4cc(F)ccc43)CCO2)o1 ZINC000329893775 862401507 /nfs/dbraw/zinc/40/15/07/862401507.db2.gz AWMOYIBKRFYWKK-SJORKVTESA-N 0 0 388.443 3.697 10 30 GHEERN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000330064064 862546917 /nfs/dbraw/zinc/54/69/17/862546917.db2.gz CANXYJQRORIEGW-BDTNDASRSA-N 0 0 396.487 3.908 10 30 GHEERN O=C(Nc1ccccc1OC[C@H]1CCCCO1)N1CCC[C@@H](n2cccn2)C1 ZINC000328774438 854536323 /nfs/dbraw/zinc/53/63/23/854536323.db2.gz SAEMZZFRANWBMY-QZTJIDSGSA-N 0 0 384.480 3.714 10 30 GHEERN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@@H]1CCCn2cc(C)nc21 ZINC000328817864 854548637 /nfs/dbraw/zinc/54/86/37/854548637.db2.gz ODBRJXJXJYDMNS-ICSRJNTNSA-N 0 0 380.492 3.561 10 30 GHEERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NC2CCC3(CCCCC3)CC2)C1 ZINC000330174637 862633508 /nfs/dbraw/zinc/63/35/08/862633508.db2.gz IJWQFRXSIDQXTC-DLBZAZTESA-N 0 0 376.501 3.947 10 30 GHEERN N#Cc1ccc(NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1Cl ZINC000123954929 860167661 /nfs/dbraw/zinc/16/76/61/860167661.db2.gz JUHDVKIWRKEELU-UHFFFAOYSA-N 0 0 388.899 3.858 10 30 GHEERN C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329057123 860981657 /nfs/dbraw/zinc/98/16/57/860981657.db2.gz SWLDYLXIHJEYOZ-DZGCQCFKSA-N 0 0 398.463 3.574 10 30 GHEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N[C@@H]1CCCOc3ccccc31)C2 ZINC000329189846 861117687 /nfs/dbraw/zinc/11/76/87/861117687.db2.gz CEZMKBKVXJUDOC-DOTOQJQBSA-N 0 0 382.508 3.913 10 30 GHEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ncc(Br)s1 ZINC000186017246 864045295 /nfs/dbraw/zinc/04/52/95/864045295.db2.gz CGMYKZBRKJRFOS-SECBINFHSA-N 0 0 375.255 3.531 10 30 GHEERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)NCc3ccc(OCC#N)cc3)C2)cc1 ZINC000172373476 882280201 /nfs/dbraw/zinc/28/02/01/882280201.db2.gz KFCXLIAHDCRISW-QFBILLFUSA-N 0 0 379.460 3.685 10 30 GHEERN Cc1csc([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)C2)n1 ZINC000173554358 882380108 /nfs/dbraw/zinc/38/01/08/882380108.db2.gz FXPTUZVWWVXLIB-OAHLLOKOSA-N 0 0 396.516 3.597 10 30 GHEERN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000181576125 883164198 /nfs/dbraw/zinc/16/41/98/883164198.db2.gz NHVMHUSCWBIZOV-WOJBJXKFSA-N 0 0 388.467 3.661 10 30 GHEERN CC(C)(C)C1CCC(C#N)(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC000187289692 883777018 /nfs/dbraw/zinc/77/70/18/883777018.db2.gz YUBUPKSKQVPEAI-UHFFFAOYSA-N 0 0 396.535 3.549 10 30 GHEERN N#CCCn1cc(C(=O)CN2CCC[C@H]2C[C@@H](O)c2ccco2)c2ccccc21 ZINC000246594446 891290489 /nfs/dbraw/zinc/29/04/89/891290489.db2.gz MEEPGIJZPRDZSD-LAUBAEHRSA-N 0 0 391.471 3.919 10 30 GHEERN CCOC(=O)c1cc(C#N)c(SCC(=O)Nc2ccccc2CC)nc1C ZINC000007149850 204235019 /nfs/dbraw/zinc/23/50/19/204235019.db2.gz KYQYUGZSNQTWGZ-UHFFFAOYSA-N 0 0 383.473 3.732 10 30 GHEERN C=CCNC(=O)c1oc2c(c1C)/C(=N/NC(=S)Nc1ccccc1)CCC2 ZINC000040825170 205072528 /nfs/dbraw/zinc/07/25/28/205072528.db2.gz RWAALWFKGCKPTA-HZHRSRAPSA-N 0 0 382.489 3.531 10 30 GHEERN O=C(c1ccsc1)N1CC[C@@]2(C1)Nc1cccnc1NC2=NC1CCCC1 ZINC000096310016 526862415 /nfs/dbraw/zinc/86/24/15/526862415.db2.gz LCXABAKODRGUHC-FQEVSTJZSA-N 0 0 381.505 3.607 10 30 biogenic GHEERN O=S(=O)(c1ccc(/N=C/c2cccc3ccccc23)cc1)N1CCOCC1 ZINC000100039938 527269620 /nfs/dbraw/zinc/26/96/20/527269620.db2.gz LFTXZYGNGDOEFL-CJLVFECKSA-N 0 0 380.469 3.611 10 30 GHEERN O=[N+]([O-])c1cc(C=NN2C(=S)N=NC2COc2ccccc2)ccc1Cl ZINC000033341728 527326830 /nfs/dbraw/zinc/32/68/30/527326830.db2.gz PPBZMOJWGRSPHC-NVMNQCDNSA-N 0 0 389.824 3.590 10 30 GHEERN O=[N+]([O-])c1cccc(/C=N/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000100037083 527384621 /nfs/dbraw/zinc/38/46/21/527384621.db2.gz PVKYZHKDHPRDBU-HMMYKYKNSA-N 0 0 387.461 3.910 10 30 GHEERN O=C1C(C=Nc2ccccc2)=S=C2SC=C(c3ccc([N+](=O)[O-])cc3)N12 ZINC000368105591 570322350 /nfs/dbraw/zinc/32/23/50/570322350.db2.gz VQDZPZZYMWDILK-UHFFFAOYSA-N 0 0 381.438 3.878 10 30 GHEERN CC[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C(C)C)c3ccccc32)C[C@@H](C)S1(=O)=O ZINC000329793907 834519011 /nfs/dbraw/zinc/51/90/11/834519011.db2.gz FVJDGFYPGLTPEZ-OHDICMOHSA-N 0 0 378.538 3.683 10 30 GHEERN Cc1ccc([C@H](C)NC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)cc1C ZINC000329823973 834668972 /nfs/dbraw/zinc/66/89/72/834668972.db2.gz QNLDTAJBKGZGGP-KRWDZBQOSA-N 0 0 378.538 3.712 10 30 GHEERN CC(C)C[C@H](NC(=O)N1CCCN(Cc2cnn(C)c2)CC1)c1cccs1 ZINC000329455926 835078343 /nfs/dbraw/zinc/07/83/43/835078343.db2.gz NCMKIPQSBMDFJA-SFHVURJKSA-N 0 0 389.569 3.691 10 30 GHEERN CC(C)(C)C(=O)NC1CCC(c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)CC1 ZINC000329569904 835260983 /nfs/dbraw/zinc/26/09/83/835260983.db2.gz INGLDIFJZPEKMF-CKUJCDMFSA-N 0 0 376.501 3.634 10 30 GHEERN N#CCc1cccc(OS(=O)(=O)/C=C\c2ccc(Br)cc2)c1 ZINC000588589951 835783805 /nfs/dbraw/zinc/78/38/05/835783805.db2.gz JXSQJGZCJJBWIJ-LUAWRHEFSA-N 0 0 378.247 3.895 10 30 GHEERN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F)CC2 ZINC000330156776 838077519 /nfs/dbraw/zinc/07/75/19/838077519.db2.gz PAXVLMIZRCHEMU-YHUYYLMFSA-N 0 0 392.462 3.521 10 30 GHEERN O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000330160537 838110201 /nfs/dbraw/zinc/11/02/01/838110201.db2.gz SAGHSXDFXJDSEO-FOIQADDNSA-N 0 0 394.899 3.542 10 30 GHEERN O=C(N[C@@H]1CCCNC1=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC000330021022 838518204 /nfs/dbraw/zinc/51/82/04/838518204.db2.gz XDKBJAJWDDWVMU-CQSZACIVSA-N 0 0 377.803 3.552 10 30 GHEERN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000330239741 841329754 /nfs/dbraw/zinc/32/97/54/841329754.db2.gz BGNNQRHQZPWAGM-APWZRJJASA-N 0 0 391.537 3.590 10 30 GHEERN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)N1CC[C@H]2CCC[C@H]21 ZINC000330261076 843071952 /nfs/dbraw/zinc/07/19/52/843071952.db2.gz TYQDWWSXXMCOAH-DNVCBOLYSA-N 0 0 385.489 3.907 10 30 GHEERN Cc1cc([N+](=O)[O-])ccc1/C=C\C(=O)c1ccc(S(=O)(=O)CC(F)F)cc1 ZINC000588450070 843261564 /nfs/dbraw/zinc/26/15/64/843261564.db2.gz LCEBINBKBRUATI-UITAMQMPSA-N 0 0 395.383 3.838 10 30 GHEERN CC(=O)N1C[C@H](CCC(=O)N[C@H](C)c2nnc3n2CCCC3)c2ccccc21 ZINC000329630314 861851230 /nfs/dbraw/zinc/85/12/30/861851230.db2.gz QVXYBNDSKXXBHY-ZBFHGGJFSA-N 0 0 381.480 3.562 10 30 GHEERN Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@H](C)c2ccc(Cl)cc2)o1 ZINC000329937197 862438531 /nfs/dbraw/zinc/43/85/31/862438531.db2.gz LKFMOYJDNGMLKH-RLCCDNCMSA-N 0 0 395.866 3.555 10 30 GHEERN N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3CCO[C@@H]3c3cccnc3)C2)c(F)c1 ZINC000330034065 862520815 /nfs/dbraw/zinc/52/08/15/862520815.db2.gz ATVFMXNJUUJHGZ-LVCYWYKZSA-N 0 0 394.450 3.795 10 30 GHEERN Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000328688677 854509442 /nfs/dbraw/zinc/50/94/42/854509442.db2.gz CTHWQAVQPKNELF-JYJNAYRXSA-N 0 0 391.560 3.705 10 30 GHEERN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000328701604 854514875 /nfs/dbraw/zinc/51/48/75/854514875.db2.gz WUFJJELJYZYABX-GZOXUXNESA-N 0 0 380.492 3.905 10 30 GHEERN Cc1ccc(NC(=O)[C@H](C)N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1C ZINC000328708279 854517071 /nfs/dbraw/zinc/51/70/71/854517071.db2.gz ZUGZWXCMLPWZLL-MFEFFIJZSA-N 0 0 388.471 3.625 10 30 GHEERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000328771983 854535578 /nfs/dbraw/zinc/53/55/78/854535578.db2.gz AWTSNKUSEATGOL-PBHICJAKSA-N 0 0 387.505 3.744 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CC(=O)N([C@@H](C)c3ccccc3)C1)CCC2 ZINC000328781099 854554428 /nfs/dbraw/zinc/55/44/28/854554428.db2.gz JHXAFVJJYBRZLV-YTQUADARSA-N 0 0 380.492 3.635 10 30 GHEERN O=C(N[C@H]1CCCOc2c(Cl)cccc21)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000328846943 854574322 /nfs/dbraw/zinc/57/43/22/854574322.db2.gz AORYEDAALJZBSR-HIFRSBDPSA-N 0 0 383.897 3.725 10 30 GHEERN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N[C@@H]3CCC(=O)N[C@H]3C3CC3)C2)nc1 ZINC000328892624 854599752 /nfs/dbraw/zinc/59/97/52/854599752.db2.gz TYZCNEBDMAZZEN-MDZRGWNJSA-N 0 0 399.495 3.502 10 30 GHEERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000328957798 854632315 /nfs/dbraw/zinc/63/23/15/854632315.db2.gz JMEGHSPKZISCBI-CIWUYKSXSA-N 0 0 393.553 3.943 10 30 GHEERN COCCOc1ccc(C#N)cc1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000184602444 855165100 /nfs/dbraw/zinc/16/51/00/855165100.db2.gz AYSQQQCSQXVDCP-UHFFFAOYSA-N 0 0 383.473 3.966 10 30 GHEERN Cn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)[C@@H]1CCOc2ccc(Cl)cc21 ZINC000330326810 862908166 /nfs/dbraw/zinc/90/81/66/862908166.db2.gz KJOHWPPZDGBXIZ-KMFMINBZSA-N 0 0 375.856 3.816 10 30 GHEERN CC(=O)N1C[C@H](CCC(=O)N[C@H]2CCCO[C@@H]2c2nccn2C)c2ccccc21 ZINC000330329455 862913222 /nfs/dbraw/zinc/91/32/22/862913222.db2.gz MPOFNUXRNRZNOY-MDKPJZGXSA-N 0 0 396.491 3.527 10 30 GHEERN N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(n4cncn4)CC3)cc2)c1 ZINC000066953749 858370871 /nfs/dbraw/zinc/37/08/71/858370871.db2.gz OCPZNCUVBCPKOY-UHFFFAOYSA-N 0 0 388.431 3.811 10 30 GHEERN O=C(C[C@@H]1CCCCNC1=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000328868856 858840262 /nfs/dbraw/zinc/84/02/62/858840262.db2.gz OZNVJSFOUSHRLR-MAUKXSAKSA-N 0 0 393.915 3.817 10 30 GHEERN COCc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(OCC#N)c(OC)c2)o1 ZINC000161252656 859767407 /nfs/dbraw/zinc/76/74/07/859767407.db2.gz AZQSVJVBANNQSV-OPUMOTSWSA-N 0 0 396.443 3.714 10 30 GHEERN Cc1ccc([C@@H]2CN(C(=O)Nc3cc(C#N)ccc3OC(F)F)CCO2)o1 ZINC000153931024 859935194 /nfs/dbraw/zinc/93/51/94/859935194.db2.gz XGILGHHWPHHAHY-INIZCTEOSA-N 0 0 377.347 3.667 10 30 GHEERN CN1CCO[C@@H]2CCN(C(=O)Nc3cc(F)ccc3Oc3ccccc3)C[C@@H]21 ZINC000329012183 860947145 /nfs/dbraw/zinc/94/71/45/860947145.db2.gz IOJRNQQYFVXYKC-AZUAARDMSA-N 0 0 385.439 3.568 10 30 GHEERN CN1CCO[C@@H]2CCN(C(=O)Nc3cc(Cl)ccc3OC3CCCC3)C[C@H]21 ZINC000329045701 860973138 /nfs/dbraw/zinc/97/31/38/860973138.db2.gz PTGCSJUNHKZZKQ-IEBWSBKVSA-N 0 0 393.915 3.612 10 30 GHEERN Cc1ccc(NC(=O)NC(=O)[C@@H](C)N2CC[C@@H](c3nc(C4CC4)no3)C2)c(C)c1 ZINC000329067665 860989437 /nfs/dbraw/zinc/98/94/37/860989437.db2.gz XDPSVAYCNSGQSW-GDBMZVCRSA-N 0 0 397.479 3.944 10 30 GHEERN N#Cc1c2c(sc1NC(=O)CCN1CCc3cncnc3C1)CCCCC2 ZINC000329140240 861061257 /nfs/dbraw/zinc/06/12/57/861061257.db2.gz FUEGRPIBYDPMEO-UHFFFAOYSA-N 0 0 381.505 3.715 10 30 GHEERN O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000329154809 861076425 /nfs/dbraw/zinc/07/64/25/861076425.db2.gz UVGVPMJTLLXFRJ-RADWXHQJSA-N 0 0 386.492 3.665 10 30 GHEERN Cc1ccc(N2CCCN([C@H](C)C(=O)Nc3ccc(F)cc3Cl)CC2)nn1 ZINC000329194860 861125776 /nfs/dbraw/zinc/12/57/76/861125776.db2.gz UXGHPPXJUCMTQX-CQSZACIVSA-N 0 0 391.878 3.766 10 30 GHEERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)NCc3ccc(OCC#N)cc3)C2)cc1 ZINC000172373463 882280477 /nfs/dbraw/zinc/28/04/77/882280477.db2.gz KFCXLIAHDCRISW-APWZRJJASA-N 0 0 379.460 3.685 10 30 GHEERN N#Cc1ccc(N2CCN(C(=O)c3ccc4nc(Cl)ccc4c3)CC2)c(F)c1 ZINC000101675129 872179120 /nfs/dbraw/zinc/17/91/20/872179120.db2.gz GDODCCRQJVQQIZ-UHFFFAOYSA-N 0 0 394.837 3.861 10 30 GHEERN Cc1cc(C(=O)NC2CCN(c3ccccn3)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000102914329 873815512 /nfs/dbraw/zinc/81/55/12/873815512.db2.gz MSZWFDSFOOBALK-UHFFFAOYSA-N 0 0 399.498 3.760 10 30 GHEERN N#CCC[C@@H](NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1)c1ccccc1 ZINC000178798203 882921421 /nfs/dbraw/zinc/92/14/21/882921421.db2.gz IIDNDRABOODQNR-RBUKOAKNSA-N 0 0 388.475 3.663 10 30 GHEERN CCSc1ccc([C@@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 ZINC000103518045 885032902 /nfs/dbraw/zinc/03/29/02/885032902.db2.gz JOTSZFDTLGPTON-MRXNPFEDSA-N 0 0 395.532 3.658 10 30 GHEERN N#CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000102915212 885980455 /nfs/dbraw/zinc/98/04/55/885980455.db2.gz OSHRLOMRPFDVCI-GSXXRBPTSA-N 0 0 376.412 3.695 10 30 GHEERN C[C@H](Oc1ccccc1C#N)C(=O)Oc1ccc(-c2noc(C3CC3)n2)cc1 ZINC000103845562 913055252 /nfs/dbraw/zinc/05/52/52/913055252.db2.gz CTMUCUOLAYGUHG-ZDUSSCGKSA-N 0 0 375.384 3.859 10 30 GHEERN CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000105909102 890943995 /nfs/dbraw/zinc/94/39/95/890943995.db2.gz BOHHMAZUUTWNBT-FXAWDEMLSA-N 0 0 375.472 3.829 10 30 GHEERN COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1Cn1cccn1 ZINC000033580319 523401879 /nfs/dbraw/zinc/40/18/79/523401879.db2.gz FXEHLDLVPJFKBH-ZZXKWVIFSA-N 0 0 376.412 3.607 10 30 GHEERN Cc1nc(CON=CC(=O)Nc2ccccc2Br)nc2ccccc12 ZINC000588600251 834548949 /nfs/dbraw/zinc/54/89/49/834548949.db2.gz BONQSAIGQZDRRC-UHFFFAOYSA-N 0 0 399.248 3.842 10 30 GHEERN N#C[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000333224411 844341315 /nfs/dbraw/zinc/34/13/15/844341315.db2.gz SMKQPCOXRPGEID-IAOVAPTHSA-N 0 0 391.313 3.727 10 30 GHEERN N#Cc1cccc(C(=O)N2CCO[C@@H](C3CCCCC3)C2)c1Br ZINC000408459255 844384433 /nfs/dbraw/zinc/38/44/33/844384433.db2.gz XEZWFFLULAEEIR-MRXNPFEDSA-N 0 0 377.282 3.742 10 30 GHEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000106207501 840760619 /nfs/dbraw/zinc/76/06/19/840760619.db2.gz NVMCTWXZGZTUMD-YOEHRIQHSA-N 0 0 397.548 3.623 10 30 GHEERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CCC(OC3CCCC3)CC1)C2 ZINC000329268331 861221260 /nfs/dbraw/zinc/22/12/60/861221260.db2.gz IBTCYTUBMHBLRN-MRXNPFEDSA-N 0 0 388.556 3.833 10 30 GHEERN CC(=O)N1CCN(C(=O)NC2CCC(C(F)(F)F)CC2)CC12CCCCC2 ZINC000328965403 843246195 /nfs/dbraw/zinc/24/61/95/843246195.db2.gz MHMQSGYTNXVGDH-UHFFFAOYSA-N 0 0 389.462 3.889 10 30 GHEERN C[C@H](NC(=O)NC1CCN(c2cccnn2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000330295255 843554885 /nfs/dbraw/zinc/55/48/85/843554885.db2.gz FQGZEHDZYOIKMI-BZSISCHUSA-N 0 0 383.540 3.554 10 30 GHEERN Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC[C@@H](C(C)(C)C)CC2)CCC[N@@H+]1C ZINC000329521411 861586128 /nfs/dbraw/zinc/58/61/28/861586128.db2.gz QTOABSQTOVJZNA-NLWGTHIKSA-N 0 0 389.588 3.865 10 30 GHEERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CC[C@H]1CN(C(C)=O)c2ccccc21 ZINC000329635313 861856163 /nfs/dbraw/zinc/85/61/63/861856163.db2.gz UKNBVQMNXSXJAS-RDJZCZTQSA-N 0 0 381.480 3.562 10 30 GHEERN CCO[C@@H]1C[C@H](N(C)C(=O)NC2CCN(c3nccs3)CC2)C12CCCC2 ZINC000329796060 862328552 /nfs/dbraw/zinc/32/85/52/862328552.db2.gz DJYADHQCTQBITG-DLBZAZTESA-N 0 0 392.569 3.696 10 30 GHEERN CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)n1 ZINC000329937887 862438498 /nfs/dbraw/zinc/43/84/98/862438498.db2.gz LTEQKBGVVHMZJG-WNRNVDISSA-N 0 0 389.519 3.632 10 30 GHEERN O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000329991063 862486385 /nfs/dbraw/zinc/48/63/85/862486385.db2.gz WPIQQDWDLNEZCA-SXKCCIOGSA-N 0 0 380.467 3.644 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@H]1c1ccc3c(c1)OCCO3)CCC2 ZINC000328637134 854485992 /nfs/dbraw/zinc/48/59/92/854485992.db2.gz AOEABAIENGVUPI-ROUUACIJSA-N 0 0 396.491 3.591 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N(C)[C@@H]1CCCN(c3ccccc3)C1)CCC2 ZINC000328653208 854490479 /nfs/dbraw/zinc/49/04/79/854490479.db2.gz KWTVYDWCFPEOTN-AZUAARDMSA-N 0 0 381.524 3.584 10 30 GHEERN Cc1ccc([C@H](CNC(=O)C[C@H]2CCCCC(=O)N2)N2CCOCC2)s1 ZINC000328667327 854496797 /nfs/dbraw/zinc/49/67/97/854496797.db2.gz KSPWSTROOXKQIL-CVEARBPZSA-N 0 0 379.526 3.676 10 30 GHEERN O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CC[C@H](Oc2ccccn2)C1 ZINC000330101017 862575227 /nfs/dbraw/zinc/57/52/27/862575227.db2.gz HXHYVOLANPVBBZ-HJGBXLFDSA-N 0 0 397.519 3.624 10 30 GHEERN CC(C)[C@H](NC(=O)N1CCCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000056576496 855581064 /nfs/dbraw/zinc/58/10/64/855581064.db2.gz IUNQVTMONTWPAQ-FQEVSTJZSA-N 0 0 377.492 3.572 10 30 GHEERN C[C@H](N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)c1ccc(C#N)s1 ZINC000245923021 857201706 /nfs/dbraw/zinc/20/17/06/857201706.db2.gz YBYXELHNMWLCND-IRWQIABSSA-N 0 0 375.925 3.996 10 30 GHEERN Cc1ccc(OCc2ccccc2)c(NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c1 ZINC000329136880 861055448 /nfs/dbraw/zinc/05/54/48/861055448.db2.gz RFMOWCBYJLUNOL-IFMALSPDSA-N 0 0 395.503 3.524 10 30 GHEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(OCc2nccn2C)cc1 ZINC000186017935 864024055 /nfs/dbraw/zinc/02/40/55/864024055.db2.gz XIKACXONKOFFFE-MRXNPFEDSA-N 0 0 399.458 3.625 10 30 GHEERN N#CCSc1cccc(C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000176416970 882691501 /nfs/dbraw/zinc/69/15/01/882691501.db2.gz ACEGSWHPWMIFKV-QGZVFWFLSA-N 0 0 381.505 3.597 10 30 GHEERN CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2Oc3ccccc3[C@H]2C)ccc1OC ZINC000117670374 874084153 /nfs/dbraw/zinc/08/41/53/874084153.db2.gz VOGBOZYXDGTHPW-IUSZMWJPSA-N 0 0 380.444 3.557 10 30 GHEERN COc1ccc([C@H]2CCCN2C(=O)CNc2ccccc2O[C@H](C)C#N)cc1 ZINC000182591576 883228057 /nfs/dbraw/zinc/22/80/57/883228057.db2.gz VFOMLCATYCUYSD-OXQOHEQNSA-N 0 0 379.460 3.762 10 30 GHEERN C[C@@H](Oc1ccccc1C#N)C(=O)Oc1ccc(-c2noc(C3CC3)n2)cc1 ZINC000103845565 913055309 /nfs/dbraw/zinc/05/53/09/913055309.db2.gz CTMUCUOLAYGUHG-CYBMUJFWSA-N 0 0 375.384 3.859 10 30 GHEERN COc1ccccc1[C@H](NC(=O)/C=C/c1ccc(OCC#N)cc1)c1ccccn1 ZINC000129271427 887277426 /nfs/dbraw/zinc/27/74/26/887277426.db2.gz RTTHKQFXXUAGJE-PSVMIJIFSA-N 0 0 399.450 3.912 10 30 GHEERN COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N(C)CCC#N)cc1OC ZINC000105546794 890295658 /nfs/dbraw/zinc/29/56/58/890295658.db2.gz HTFMKNYBFMFMPE-UHFFFAOYSA-N 0 0 390.443 3.542 10 30 GHEERN COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000189348730 908311174 /nfs/dbraw/zinc/31/11/74/908311174.db2.gz MIYIKYNVRFLPPV-KRWDZBQOSA-N 0 0 386.477 3.717 10 30 GHEERN CC/N=C1/S/C(=C/c2cn(C(C)=O)nc2-c2ccc(F)cc2)C(=O)N1CC ZINC000005823494 204153204 /nfs/dbraw/zinc/15/32/04/204153204.db2.gz INDPUCLTSZXUNJ-OZZFTROTSA-N 0 0 386.452 3.661 10 30 GHEERN N#Cc1ccc(-c2nnc3n2c2ccccc2c(=O)n3CCc2ccccc2)cc1 ZINC000006781264 204204025 /nfs/dbraw/zinc/20/40/25/204204025.db2.gz BBNAJCMTUCAZJC-UHFFFAOYSA-N 0 0 391.434 3.826 10 30 GHEERN CCOc1cc(/C=N/NC(=S)Nc2ccccc2)cc(Br)c1O ZINC000006418473 204178771 /nfs/dbraw/zinc/17/87/71/204178771.db2.gz DEDOSAQQUQRONZ-VCHYOVAHSA-N 0 0 394.294 3.874 10 30 GHEERN CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)[C@H](O)CC ZINC000064528187 222072809 /nfs/dbraw/zinc/07/28/09/222072809.db2.gz ZONFRAIWEKRZGK-IOJZRDRBSA-N 0 0 385.589 3.853 10 30 GHEERN COCCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)S/C1=N/c1ccccc1 ZINC000096569544 523787985 /nfs/dbraw/zinc/78/79/85/523787985.db2.gz ZFKJXRBRMCKXPI-KXNKKEQVSA-N 0 0 384.457 3.651 10 30 GHEERN CCOC(=O)C(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000261493365 528547459 /nfs/dbraw/zinc/54/74/59/528547459.db2.gz WFFAMPKXTMQPSD-SFJJLGKISA-N 0 0 388.504 3.993 10 30 GHEERN C=CCc1cc(OC)c(O[C@H](C)[C@@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000013311362 574413094 /nfs/dbraw/zinc/41/30/94/574413094.db2.gz IQBXVNSNERBTIG-SPLOXXLWSA-N 0 0 388.460 3.950 10 30 endogenous,in-man GHEERN Cc1nc([C@@H](NC(=O)/C=C/c2cccc(C#N)c2)c2ccc(Cl)cc2)no1 ZINC000180620686 837403839 /nfs/dbraw/zinc/40/38/39/837403839.db2.gz GDUSIHHWOXONDO-GSXXRBPTSA-N 0 0 378.819 3.822 10 30 GHEERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21)c1ccc2ccccc2c1 ZINC000329159155 834473386 /nfs/dbraw/zinc/47/33/86/834473386.db2.gz DDZSJYIDCKBISL-RYGJVYDSSA-N 0 0 386.517 3.856 10 30 GHEERN CCN(C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(C#N)cc1 ZINC000178945430 834802160 /nfs/dbraw/zinc/80/21/60/834802160.db2.gz CPRNPLPSUNUIBY-UHFFFAOYSA-N 0 0 379.435 3.603 10 30 GHEERN O=C(NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)N[C@@H]1CCCC[C@@H]1O ZINC000329881795 835258678 /nfs/dbraw/zinc/25/86/78/835258678.db2.gz OZMMWMLYYUOQHS-NUJGCVRESA-N 0 0 385.533 3.723 10 30 GHEERN Cc1ccc(NS(C)(=O)=O)c(NC(=O)[C@H]2C[C@]23CCOc2ccccc23)c1 ZINC000329599257 835329134 /nfs/dbraw/zinc/32/91/34/835329134.db2.gz JSMMYPVDQKRTEX-QRWLVFNGSA-N 0 0 386.473 3.695 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)c3cc(Cl)cc4cccnc43)C2)nn1 ZINC000329626397 835462629 /nfs/dbraw/zinc/46/26/29/835462629.db2.gz VKSGJUFPVJKBPX-INIZCTEOSA-N 0 0 381.867 3.960 10 30 GHEERN O=C(Nc1cc(F)cc(N2CCOCC2)c1)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000329733875 835810114 /nfs/dbraw/zinc/81/01/14/835810114.db2.gz QZVYVMHKCLJSDA-DENIHFKCSA-N 0 0 382.435 3.991 10 30 GHEERN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000134644037 835881268 /nfs/dbraw/zinc/88/12/68/835881268.db2.gz ATBBEGHRWHLFEQ-KRWDZBQOSA-N 0 0 399.882 3.634 10 30 GHEERN C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC000328690148 838644971 /nfs/dbraw/zinc/64/49/71/838644971.db2.gz IHFZERYSDRYCKX-MIZPHKNDSA-N 0 0 394.519 3.716 10 30 GHEERN O=C(NCc1nc2cc(Cl)ccc2s1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330072844 839186169 /nfs/dbraw/zinc/18/61/69/839186169.db2.gz JYOGTCBIDUYNSG-KPZWWZAWSA-N 0 0 379.913 3.991 10 30 GHEERN Cc1cc(C)n(-c2ccc(CCNC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cc2)n1 ZINC000330090853 839373691 /nfs/dbraw/zinc/37/36/91/839373691.db2.gz XEKUXUJRHSAAHN-NFBKMPQASA-N 0 0 396.535 3.573 10 30 GHEERN C[C@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1ccc(OCC(F)(F)F)cc1 ZINC000329256738 861210429 /nfs/dbraw/zinc/21/04/29/861210429.db2.gz XTDFBAQPLHCYTN-NILFDRSVSA-N 0 0 385.386 3.653 10 30 GHEERN C[C@H]1OCC[C@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1F ZINC000329266034 861220636 /nfs/dbraw/zinc/22/06/36/861220636.db2.gz HGORPASELQBNLR-WLYRACQLSA-N 0 0 392.446 3.872 10 30 GHEERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000329265106 861220681 /nfs/dbraw/zinc/22/06/81/861220681.db2.gz FCSZYIPVMPVWPS-XFQXTVEOSA-N 0 0 379.508 3.989 10 30 GHEERN CCn1cc(CN2CCCN(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)cn1 ZINC000329270340 861229208 /nfs/dbraw/zinc/22/92/08/861229208.db2.gz HKFQYKGXEGDPGA-PWRODBHTSA-N 0 0 387.572 3.684 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)CCC2 ZINC000329287626 861248223 /nfs/dbraw/zinc/24/82/23/861248223.db2.gz MKQRSSPEFDBVDV-JQHSSLGASA-N 0 0 388.899 3.756 10 30 GHEERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000328901000 842856699 /nfs/dbraw/zinc/85/66/99/842856699.db2.gz YOMXDHIPGONORN-AFAVFJNCSA-N 0 0 386.414 3.854 10 30 GHEERN CC(C)n1ncc2c1C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1cccs1)CC2 ZINC000329446825 861442599 /nfs/dbraw/zinc/44/25/99/861442599.db2.gz CQBVQIZKVWLBBY-HOTGVXAUSA-N 0 0 386.521 3.644 10 30 GHEERN [O-]C(=[NH+][C@H]1CCc2ncnn2C1)N1CCC(c2cccc3ccccc32)CC1 ZINC000329464263 861477887 /nfs/dbraw/zinc/47/78/87/861477887.db2.gz UOYPPDFYNATDHG-SFHVURJKSA-N 0 0 375.476 3.540 10 30 GHEERN CC(C)COc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)cc1 ZINC000329557406 861652007 /nfs/dbraw/zinc/65/20/07/861652007.db2.gz LDCACIPAQJWYHO-DVWBAYGPSA-N 0 0 390.524 3.558 10 30 GHEERN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)[C@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000329564818 861671403 /nfs/dbraw/zinc/67/14/03/861671403.db2.gz SKMUAMQXDXBEAD-LQWHRVPQSA-N 0 0 396.491 3.892 10 30 GHEERN CS(=O)(=O)Nc1cc(F)ccc1NC(=O)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329131234 849735877 /nfs/dbraw/zinc/73/58/77/849735877.db2.gz AECHHGSVJQJWNB-IFXJQAMLSA-N 0 0 390.436 3.526 10 30 GHEERN CCn1cc(C2CCN(C(=O)N[C@@H]3CCc4nc(C(C)(C)C)cn4C3)CC2)cn1 ZINC000329812902 862338495 /nfs/dbraw/zinc/33/84/95/862338495.db2.gz DFSBNCGHGITBSO-GOSISDBHSA-N 0 0 398.555 3.505 10 30 GHEERN Cc1nc(C[C@H]2CCCN(C(=O)N[C@H]3CCCO[C@H]3c3ccc(C)cc3)C2)no1 ZINC000329951876 862452781 /nfs/dbraw/zinc/45/27/81/862452781.db2.gz MOSXDWCLPXVJAU-LMNJBCLMSA-N 0 0 398.507 3.775 10 30 GHEERN C[C@@H]1CC[C@H](NC(=O)N(C)C[C@@H]2C[C@H](F)CN2c2ccncn2)c2ccccc21 ZINC000329979158 862474148 /nfs/dbraw/zinc/47/41/48/862474148.db2.gz JARARHULVIEHNU-YLAKUSLOSA-N 0 0 397.498 3.878 10 30 GHEERN O=C(NC1C2CC3CC(C2)CC1C3)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000330087758 862564777 /nfs/dbraw/zinc/56/47/77/862564777.db2.gz UBGRTALMGHSLCC-UHFFFAOYSA-N 0 0 383.540 3.533 10 30 GHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000328684537 854508645 /nfs/dbraw/zinc/50/86/45/854508645.db2.gz FCNDLQOININDBV-GOEBONIOSA-N 0 0 377.510 3.685 10 30 GHEERN Cc1ccc(NC(=O)N2CCC[C@H](n3cccn3)C2)c(OC[C@@H]2CCCO2)c1 ZINC000328769938 854534578 /nfs/dbraw/zinc/53/45/78/854534578.db2.gz QXGPMDPTXGTNEH-ROUUACIJSA-N 0 0 384.480 3.632 10 30 GHEERN CN(C(=O)NC1C2CC3CC(C2)CC1C3)C1CCN(C(=O)c2ccccc2)CC1 ZINC000328811063 854544914 /nfs/dbraw/zinc/54/49/14/854544914.db2.gz FAWOGLUMQNUYLN-UHFFFAOYSA-N 0 0 395.547 3.962 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1COc3ccc(Br)cc31)CCC2 ZINC000328879594 854595369 /nfs/dbraw/zinc/59/53/69/854595369.db2.gz KBXSTIMILBXHLA-SWLSCSKDSA-N 0 0 390.281 3.964 10 30 GHEERN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC=C(c2cccs2)CC1 ZINC000117721427 859586234 /nfs/dbraw/zinc/58/62/34/859586234.db2.gz GLGWMSGRQBMKDR-UHFFFAOYSA-N 0 0 391.500 3.528 10 30 GHEERN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000156187911 860706093 /nfs/dbraw/zinc/70/60/93/860706093.db2.gz QBFUFKBYNVNYKQ-QGZVFWFLSA-N 0 0 399.882 3.634 10 30 GHEERN C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329057125 860982197 /nfs/dbraw/zinc/98/21/97/860982197.db2.gz SWLDYLXIHJEYOZ-UKRRQHHQSA-N 0 0 398.463 3.574 10 30 GHEERN CN1CCN(C(=O)NCc2ccc(C(C)(C)C)cc2)C[C@@H]1c1nc(C2CC2)no1 ZINC000329142523 861062448 /nfs/dbraw/zinc/06/24/48/861062448.db2.gz VAEDUEDOHNORRB-GOSISDBHSA-N 0 0 397.523 3.647 10 30 GHEERN O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000329154810 861076351 /nfs/dbraw/zinc/07/63/51/861076351.db2.gz UVGVPMJTLLXFRJ-TVTNDZMWSA-N 0 0 386.492 3.665 10 30 GHEERN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCc2cncnc2C1 ZINC000329165887 861091860 /nfs/dbraw/zinc/09/18/60/861091860.db2.gz HRDYTXSPOVOCKL-CYBMUJFWSA-N 0 0 381.505 3.713 10 30 GHEERN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H](n2cncn2)C1 ZINC000329183738 861113982 /nfs/dbraw/zinc/11/39/82/861113982.db2.gz PLEDTDFJUCPSAB-CABCVRRESA-N 0 0 398.536 3.794 10 30 GHEERN C=CCc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc(OC)c1OC ZINC000103376734 863952982 /nfs/dbraw/zinc/95/29/82/863952982.db2.gz OTCXFXSTAMHXPS-ZDUSSCGKSA-N 0 0 382.416 3.932 10 30 GHEERN C=CCN(CC(F)(F)F)C(=O)CCn1c(-c2ccc(C)cc2)n[nH]c1=S ZINC000104339850 874315301 /nfs/dbraw/zinc/31/53/01/874315301.db2.gz DZYWYWQRIUTAPP-UHFFFAOYSA-N 0 0 384.427 3.883 10 30 GHEERN COc1cc(/C=C/C(=O)N[C@@H]2CCOc3c(C)cccc32)ccc1OCC#N ZINC000190128253 884047580 /nfs/dbraw/zinc/04/75/80/884047580.db2.gz MKJDRBOLZMHUCY-PDFOZTTASA-N 0 0 378.428 3.559 10 30 GHEERN COc1ccccc1SC[C@@H](C)CNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000103421837 884976330 /nfs/dbraw/zinc/97/63/30/884976330.db2.gz UKBWLSIARCFJGT-HOTGVXAUSA-N 0 0 384.501 3.879 10 30 GHEERN COc1ccccc1CCN(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000105101664 887613737 /nfs/dbraw/zinc/61/37/37/887613737.db2.gz LYEUDAYGBDKANK-UHFFFAOYSA-N 0 0 390.405 3.950 10 30 GHEERN Cc1ccc(C(=O)N[C@H](CC(=O)NC2(C#N)CCCC2)c2ccccc2)cc1 ZINC000105600461 891265192 /nfs/dbraw/zinc/26/51/92/891265192.db2.gz NBJUOMQYBWMXGS-HXUWFJFHSA-N 0 0 375.472 3.809 10 30 GHEERN COc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC ZINC000100037973 523455987 /nfs/dbraw/zinc/45/59/87/523455987.db2.gz CWAAEQNZDVOOCP-RCCKNPSSSA-N 0 0 388.489 3.629 10 30 GHEERN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)C1(/C=N/O)c3ccccc3C2c2ccccc21 ZINC000101632879 527117825 /nfs/dbraw/zinc/11/78/25/527117825.db2.gz INDQAPBGHBPJAY-RANLWXDFSA-N 0 0 394.430 3.697 10 30 GHEERN C=CCC1=C[C@]2(OC)C(=CC1=O)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]2C ZINC000014594408 560222823 /nfs/dbraw/zinc/22/28/23/560222823.db2.gz MRRHZTMSIVTFSK-ZTHZXAOBSA-N 0 0 386.444 3.774 10 30 biogenic,in-vitro GHEERN N#Cc1ccc2c(c1)CO[C@]2(CCCNC(=O)C(F)(F)F)c1ccc(F)cc1 ZINC000022067266 570779414 /nfs/dbraw/zinc/77/94/14/570779414.db2.gz WAXPNSRROUWKMK-LJQANCHMSA-N 0 0 392.352 3.930 10 30 in-vitro GHEERN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000329814838 834619655 /nfs/dbraw/zinc/61/96/55/834619655.db2.gz NSQHXCXPBPPQBA-BRWVUGGUSA-N 0 0 379.526 3.664 10 30 GHEERN CC(C)c1ccc([C@H](C)NC(=O)N2CCO[C@H](c3ccnc(N(C)C)n3)C2)cc1 ZINC000329247669 834620430 /nfs/dbraw/zinc/62/04/30/834620430.db2.gz WHIOUFYGIUPNNO-JXFKEZNVSA-N 0 0 397.523 3.715 10 30 GHEERN C=CCn1c(C2CC2)nnc1S(=O)(=O)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000156917966 834644294 /nfs/dbraw/zinc/64/42/94/834644294.db2.gz QPQQGDNHHCKNFV-CYBMUJFWSA-N 0 0 384.461 3.531 10 30 GHEERN C[C@@H](NC(=O)N1CCCN(c2cccnn2)CC1)c1ccccc1C(F)(F)F ZINC000329511026 835165363 /nfs/dbraw/zinc/16/53/63/835165363.db2.gz KIKGGXNKEHTRCN-CQSZACIVSA-N 0 0 393.413 3.683 10 30 GHEERN COc1ccc(F)cc1-c1csc(NC(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)n1 ZINC000329544467 835216222 /nfs/dbraw/zinc/21/62/22/835216222.db2.gz YTPQUFZVOIRYCP-RSAASHCRSA-N 0 0 378.425 3.597 10 30 GHEERN C[C@H](NC(=O)N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1)[C@H]1CCCO1 ZINC000329578887 835283418 /nfs/dbraw/zinc/28/34/18/835283418.db2.gz UAUQVQOSHUJJCD-BHYGNILZSA-N 0 0 375.517 3.513 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)NC(C)(C)Cc3ccccc3C)C2)nn1 ZINC000329665893 835568375 /nfs/dbraw/zinc/56/83/75/835568375.db2.gz KRFZMBUELYDJED-IBGZPJMESA-N 0 0 381.524 3.587 10 30 GHEERN CCC1CCC(NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2c(C)noc2C)CC1 ZINC000329971781 836535255 /nfs/dbraw/zinc/53/52/55/836535255.db2.gz YRXMDXAFEDGSJZ-IKJBURDNSA-N 0 0 380.508 3.676 10 30 GHEERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000330095883 839435904 /nfs/dbraw/zinc/43/59/04/839435904.db2.gz WIWILSWQYPOZGB-HUUCEWRRSA-N 0 0 399.461 3.829 10 30 GHEERN O=C(NCc1nc(-c2ccccc2F)cs1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330229616 840316223 /nfs/dbraw/zinc/31/62/23/840316223.db2.gz QEIRHYGVJQWJAM-VBKZILBWSA-N 0 0 389.496 3.990 10 30 GHEERN CC(=O)NC1(c2noc(CCC(=O)N3CC[C@@H]4CCC[C@H]43)n2)CCCCCC1 ZINC000330231472 840437168 /nfs/dbraw/zinc/43/71/68/840437168.db2.gz FAWZQUUOAASEDV-DLBZAZTESA-N 0 0 388.512 3.929 10 30 GHEERN O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000329242882 861195002 /nfs/dbraw/zinc/19/50/02/861195002.db2.gz SNQLSFXQNXTGKG-HARLFGEKSA-N 0 0 378.472 3.810 10 30 GHEERN CC(C)c1nc2c(n1C)CCN(C([O-])=[NH+][C@@H](C)CCc1ccc3c(c1)OCO3)C2 ZINC000329289996 861249813 /nfs/dbraw/zinc/24/98/13/861249813.db2.gz QGKFPCAKQGOOJJ-HNNXBMFYSA-N 0 0 398.507 3.566 10 30 GHEERN COCCn1cc([C@H]2OCC[C@@H]2C(=O)Nc2nc3c(s2)CCCCC3)cn1 ZINC000329305957 861267558 /nfs/dbraw/zinc/26/75/58/861267558.db2.gz XTEWTUAYXJWHRN-WMLDXEAASA-N 0 0 390.509 3.621 10 30 GHEERN C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCCn3nc(C(C)C)nc32)cc1OC ZINC000151733798 845621442 /nfs/dbraw/zinc/62/14/42/845621442.db2.gz OUDCJCRNCPQZFD-KAMXEHQASA-N 0 0 396.491 3.639 10 30 GHEERN CC(=O)N1C[C@H](CCC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)c2ccccc21 ZINC000329612205 861773849 /nfs/dbraw/zinc/77/38/49/861773849.db2.gz KAVGXAMYJHHHLX-FVJLSDCUSA-N 0 0 388.533 3.928 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N(C)[C@@H](C)c3cc(F)ccc3F)C2)nn1 ZINC000329681695 862050949 /nfs/dbraw/zinc/05/09/49/862050949.db2.gz SAMRDAXYZIFFDP-HOCLYGCPSA-N 0 0 389.450 3.639 10 30 GHEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000329713578 862207472 /nfs/dbraw/zinc/20/74/72/862207472.db2.gz RSBVRXWXFZLARV-IIAWOOMASA-N 0 0 389.500 3.574 10 30 GHEERN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)C[C@H]2CCCCNC2=O)c1C ZINC000329833741 862359112 /nfs/dbraw/zinc/35/91/12/862359112.db2.gz LLHVDTZNOMBHNL-NVXWUHKLSA-N 0 0 389.521 3.940 10 30 GHEERN Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000329948099 862447163 /nfs/dbraw/zinc/44/71/63/862447163.db2.gz KLNXHPJZMGCKHA-INDMIFKZSA-N 0 0 388.899 3.553 10 30 GHEERN O=C(NC1CCN(C(=O)C2CC2)CC1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000330093412 862569302 /nfs/dbraw/zinc/56/93/02/862569302.db2.gz ZTOUVQKKVWXEDM-LJQANCHMSA-N 0 0 397.519 3.728 10 30 GHEERN COc1ccc(OC)c([C@@H]2CCCN2C(=O)N[C@@H]2CCC(=O)NC23CCC3)c1 ZINC000328712399 854518546 /nfs/dbraw/zinc/51/85/46/854518546.db2.gz BPHFWHNXZFJURG-FUHWJXTLSA-N 0 0 387.480 3.796 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CC[C@@H](C)c4ccccc43)C2)nn1 ZINC000328714302 854519463 /nfs/dbraw/zinc/51/94/63/854519463.db2.gz OBQXMSBESCWDMM-OXFYSEKESA-N 0 0 379.508 3.896 10 30 GHEERN C[C@]1(C(=O)N[C@H]2CCC(=O)NC23CCC3)CCCN(C(=O)c2ccccc2)C1 ZINC000328737674 854521516 /nfs/dbraw/zinc/52/15/16/854521516.db2.gz KIVDJZDHDKLSPV-UWJYYQICSA-N 0 0 383.492 3.927 10 30 GHEERN CCC[C@H](NC(=O)C[C@H]1CCCCNC1=O)C(=O)N1CCc2sccc2C1 ZINC000328800315 854562013 /nfs/dbraw/zinc/56/20/13/854562013.db2.gz YHALFDJMOMKTTA-ZBFHGGJFSA-N 0 0 391.537 3.905 10 30 GHEERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000328947881 854613116 /nfs/dbraw/zinc/61/31/16/854613116.db2.gz GXCAAUAMNWJYHO-XMTFNYHQSA-N 0 0 388.899 3.553 10 30 GHEERN CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)C1 ZINC000328977375 854638461 /nfs/dbraw/zinc/63/84/61/854638461.db2.gz WRRCCEILAYKKJY-YQVWRLOYSA-N 0 0 390.528 3.535 10 30 GHEERN O=C(CN1C[C@H](O)C[C@@H]1c1cccc(F)c1)Nc1nc2c(s1)CCCC2 ZINC000328996568 854645374 /nfs/dbraw/zinc/64/53/74/854645374.db2.gz UNWPXFMJLJSSCC-GDBMZVCRSA-N 0 0 375.469 3.557 10 30 GHEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(Br)cc1O ZINC000186002151 862677112 /nfs/dbraw/zinc/67/71/12/862677112.db2.gz CRKHTAFHULBEBV-NSHDSACASA-N 0 0 384.237 3.780 10 30 GHEERN Cc1ccccc1[C@H](C)NC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000330249443 862694103 /nfs/dbraw/zinc/69/41/03/862694103.db2.gz GSPAQLTUMGIVQY-RRMPHLOHSA-N 0 0 380.492 3.888 10 30 GHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)c[nH]1 ZINC000330287373 862722809 /nfs/dbraw/zinc/72/28/09/862722809.db2.gz CJBXVWCUUYTTDU-NHDLTIKGSA-N 0 0 395.507 3.977 10 30 GHEERN Cn1nccc1[C@@H]1[C@H](C(=O)N[C@@H]2CCc3c2cccc3F)CCC(=O)N1C1CC1 ZINC000330318066 862870838 /nfs/dbraw/zinc/87/08/38/862870838.db2.gz CBONYNCELLAGLM-BLIXFSHQSA-N 0 0 396.466 3.645 10 30 GHEERN C=CCOc1ccccc1CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000171888645 882147003 /nfs/dbraw/zinc/14/70/03/882147003.db2.gz DDUPGRRBQFNGIR-UHFFFAOYSA-N 0 0 396.462 3.559 10 30 GHEERN N#CCSc1cccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000176004304 882657108 /nfs/dbraw/zinc/65/71/08/882657108.db2.gz BAYAZNBVLAREEQ-UHFFFAOYSA-N 0 0 385.533 3.557 10 30 GHEERN COc1ccc([C@H](N[C@H](C)c2ccc(OCC#N)cc2)c2nccn2C)cc1 ZINC000181451906 883180511 /nfs/dbraw/zinc/18/05/11/883180511.db2.gz GJGSXAWUGNUBEV-IERDGZPVSA-N 0 0 376.460 3.771 10 30 GHEERN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000184359531 883345521 /nfs/dbraw/zinc/34/55/21/883345521.db2.gz GGMFNDFMSCPZLO-QGZVFWFLSA-N 0 0 398.507 3.624 10 30 GHEERN Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000185032375 883399597 /nfs/dbraw/zinc/39/95/97/883399597.db2.gz VDQBLLICRUZTOQ-LJQANCHMSA-N 0 0 394.450 3.640 10 30 GHEERN N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(n4cncn4)CC3)c2)cc1 ZINC000105039383 887293756 /nfs/dbraw/zinc/29/37/56/887293756.db2.gz UPCGMAZQLOEKPB-UHFFFAOYSA-N 0 0 388.431 3.811 10 30 GHEERN CCCOC(=NC(=O)c1cccc(F)c1)NCCc1ccc(OC)c(OC)c1 ZINC000004782028 520206115 /nfs/dbraw/zinc/20/61/15/520206115.db2.gz UMCSWAFQGLRTJP-UHFFFAOYSA-N 0 0 388.439 3.598 10 30 GHEERN CC1CCN(S(=O)(=O)c2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000100040183 521030660 /nfs/dbraw/zinc/03/06/60/521030660.db2.gz ZQIHFAAEFMMSBM-XSFVSMFZSA-N 0 0 387.461 3.766 10 30 GHEERN Oc1ccc(Br)cc1/C=N\n1cnnc1SCc1ccccc1 ZINC000103764366 526342268 /nfs/dbraw/zinc/34/22/68/526342268.db2.gz KFOFQWLFHHXERO-OCKHKDLRSA-N 0 0 389.278 3.921 10 30 GHEERN C=C[C@H]1CC[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)[C@@H](O)C1 ZINC000006214134 571045046 /nfs/dbraw/zinc/04/50/46/571045046.db2.gz SWZMKGKUWRUWCG-BWAGFHJFSA-N 0 0 385.529 3.902 10 30 GHEERN CC[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C(C)C)c3ccccc32)C[C@H](C)S1(=O)=O ZINC000329793908 834518570 /nfs/dbraw/zinc/51/85/70/834518570.db2.gz FVJDGFYPGLTPEZ-OSGQAZFXSA-N 0 0 378.538 3.683 10 30 GHEERN N#Cc1ccc(-c2nnc(CN3Cc4cccc(Br)c4C3)o2)cc1 ZINC000186895808 834744237 /nfs/dbraw/zinc/74/42/37/834744237.db2.gz WGIDWBSMSCPAKF-UHFFFAOYSA-N 0 0 381.233 3.887 10 30 GHEERN O=C(Nc1ccc(F)cc1OC1CCOCC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000329427275 835022549 /nfs/dbraw/zinc/02/25/49/835022549.db2.gz JDGMFOFPAMIYOF-YCRPNKLZSA-N 0 0 392.471 3.556 10 30 GHEERN CC(C)c1nnc2n1C[C@@H]([NH+]=C([O-])NC1CC(c3cccc(Cl)c3)C1)CC2 ZINC000329493757 835141345 /nfs/dbraw/zinc/14/13/45/835141345.db2.gz IDZHHKQLAVKYAW-WIHSUSGWSA-N 0 0 387.915 3.820 10 30 GHEERN O=C(NC1CCC(c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)CC1)C1CCCC1 ZINC000329500694 835145528 /nfs/dbraw/zinc/14/55/28/835145528.db2.gz ABYFSOYXCNZZSM-FOIPXRHGSA-N 0 0 388.512 3.778 10 30 GHEERN Cc1noc(-c2ccccc2C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)n1 ZINC000329544800 835216516 /nfs/dbraw/zinc/21/65/16/835216516.db2.gz GHJWLIVXKKNPEF-AWEZNQCLSA-N 0 0 379.464 3.859 10 30 GHEERN C[C@@H](CNC(=O)/C=C/c1ccc(OCC#N)cc1)c1nc(-c2ccccc2)no1 ZINC000158258159 835288777 /nfs/dbraw/zinc/28/87/77/835288777.db2.gz PPUQINJNUUBDSF-YHVDPYDOSA-N 0 0 388.427 3.572 10 30 GHEERN Cc1ccc([C@@H]2CCCN2C(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)cc1 ZINC000329660566 835549676 /nfs/dbraw/zinc/54/96/76/835549676.db2.gz IHVYWDMRUMVVLD-PMACEKPBSA-N 0 0 379.508 3.813 10 30 GHEERN CS(=O)(=O)Nc1cc(NC(=O)[C@H]2C[C@@]23CCOc2ccccc23)ccc1F ZINC000329745114 835855797 /nfs/dbraw/zinc/85/57/97/835855797.db2.gz YEACKPCPTJJVNR-AUUYWEPGSA-N 0 0 390.436 3.526 10 30 GHEERN C[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(C#N)cc1 ZINC000175783151 838254619 /nfs/dbraw/zinc/25/46/19/838254619.db2.gz LAFVQDURRPDBTF-HNNXBMFYSA-N 0 0 380.419 3.854 10 30 GHEERN COc1cc(Br)ccc1/C=C\C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000588419350 838390735 /nfs/dbraw/zinc/39/07/35/838390735.db2.gz VTTLYEUQLMQXIT-UTCJRWHESA-N 0 0 388.217 3.685 10 30 GHEERN C[C@@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1ccc(OCC(F)(F)F)cc1 ZINC000329256736 861210164 /nfs/dbraw/zinc/21/01/64/861210164.db2.gz XTDFBAQPLHCYTN-KCPJHIHWSA-N 0 0 385.386 3.653 10 30 GHEERN CCn1cc(CN2CCCN(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)cn1 ZINC000329270339 861228859 /nfs/dbraw/zinc/22/88/59/861228859.db2.gz HKFQYKGXEGDPGA-PCCBWWKXSA-N 0 0 387.572 3.684 10 30 GHEERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000329279804 861235019 /nfs/dbraw/zinc/23/50/19/861235019.db2.gz MPSHJKDJUWEVHQ-IEBWSBKVSA-N 0 0 397.519 3.681 10 30 GHEERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H]1CCCOc3ccc(F)cc31)C2 ZINC000329301737 861264204 /nfs/dbraw/zinc/26/42/04/861264204.db2.gz WKJPNEWLCFEAQT-MRXNPFEDSA-N 0 0 386.471 3.869 10 30 GHEERN CCC1CCC(NC(=O)N2CCOC[C@@H]2c2ncnn2-c2ccccc2)CC1 ZINC000328892402 842833569 /nfs/dbraw/zinc/83/35/69/842833569.db2.gz TVKOWYRWCVGPTQ-FAFZWHIHSA-N 0 0 383.496 3.523 10 30 GHEERN CC(=O)N[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)C1 ZINC000330318309 843679360 /nfs/dbraw/zinc/67/93/60/843679360.db2.gz CGEQICQXAVGIMI-GOEBONIOSA-N 0 0 395.887 3.742 10 30 GHEERN CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCc2cncnc2C1 ZINC000329470081 861492501 /nfs/dbraw/zinc/49/25/01/861492501.db2.gz YNWROUJEBWTICL-LZGZYFLISA-N 0 0 396.535 3.559 10 30 GHEERN C[C@@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1ccc(OCC2CC2)c(F)c1 ZINC000329591868 861725937 /nfs/dbraw/zinc/72/59/37/861725937.db2.gz ZATLATYVPQYJLE-SRCQZFHVSA-N 0 0 375.444 3.640 10 30 GHEERN Cc1c(C(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)sc2nccc(C)c12 ZINC000329610469 861770736 /nfs/dbraw/zinc/77/07/36/861770736.db2.gz REGBRFZSQKQRDR-OAHLLOKOSA-N 0 0 381.505 3.985 10 30 GHEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CC2(CCCC2)c2cccc(F)c21 ZINC000329621362 861806593 /nfs/dbraw/zinc/80/65/93/861806593.db2.gz MXIRHPLWVAFLJA-MGPUTAFESA-N 0 0 398.482 3.883 10 30 GHEERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CC[C@@H]1CN(C(C)=O)c2ccccc21 ZINC000329635315 861856828 /nfs/dbraw/zinc/85/68/28/861856828.db2.gz UKNBVQMNXSXJAS-WBVHZDCISA-N 0 0 381.480 3.562 10 30 GHEERN C[C@H](NC(=O)N1CCC(Cc2cccnc2)CC1)c1ccc2c(c1)OCCO2 ZINC000329132004 849824043 /nfs/dbraw/zinc/82/40/43/849824043.db2.gz YDAXSGDHXHJUGJ-INIZCTEOSA-N 0 0 381.476 3.783 10 30 GHEERN COc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)CCC(=O)[C@@H]2CCC#N ZINC000048522838 852437535 /nfs/dbraw/zinc/43/75/35/852437535.db2.gz RRWZOOILDRDRHS-LJQANCHMSA-N 0 0 398.484 3.559 10 30 GHEERN O=C(NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)N1CC[C@@H](CCO)C1 ZINC000329865112 862382547 /nfs/dbraw/zinc/38/25/47/862382547.db2.gz TYZXZSOEMLGHCC-DOTOQJQBSA-N 0 0 385.533 3.534 10 30 GHEERN Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)o1 ZINC000329937198 862438954 /nfs/dbraw/zinc/43/89/54/862438954.db2.gz LKFMOYJDNGMLKH-UVBJJODRSA-N 0 0 395.866 3.555 10 30 GHEERN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)N2C[C@H]3CCC[C@@H]32)c1 ZINC000329941675 862441635 /nfs/dbraw/zinc/44/16/35/862441635.db2.gz VEKMSMWDPDNTKZ-BEFAXECRSA-N 0 0 385.489 3.542 10 30 GHEERN COc1cccc([C@H]2CCCN2C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000328605113 854480840 /nfs/dbraw/zinc/48/08/40/854480840.db2.gz JFJDXZZJJOMDQA-WSTZPKSXSA-N 0 0 385.508 3.537 10 30 GHEERN C[C@H](C(=O)Nc1ccc(Cl)cn1)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000328671277 854498567 /nfs/dbraw/zinc/49/85/67/854498567.db2.gz HCBGTPLJFSWXMX-MTJIALIYSA-N 0 0 395.850 3.706 10 30 GHEERN COc1ccc([C@@H]2CCCN2C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000328598476 854500429 /nfs/dbraw/zinc/50/04/29/854500429.db2.gz BFGSIDBLZNDOAM-HBFSDRIKSA-N 0 0 385.508 3.537 10 30 GHEERN CC1(C)C[C@H](NC(=O)N[C@@H]2CCC(=O)NC23CCC3)c2ccc(F)cc2O1 ZINC000328733918 854541401 /nfs/dbraw/zinc/54/14/01/854541401.db2.gz ICUVEZZCTLLVOS-GOEBONIOSA-N 0 0 375.444 3.973 10 30 GHEERN Cc1nc(NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)sc1SCC#N ZINC000328933491 854606779 /nfs/dbraw/zinc/60/67/79/854606779.db2.gz INWKXDSLBZXTPL-DGCLKSJQSA-N 0 0 377.495 3.557 10 30 GHEERN Cc1ccc(Oc2ccccc2NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cc1 ZINC000328944848 854611429 /nfs/dbraw/zinc/61/14/29/854611429.db2.gz JMHONAUDZMANSF-FPOVZHCZSA-N 0 0 381.476 3.738 10 30 GHEERN CCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)C1 ZINC000328959888 854633339 /nfs/dbraw/zinc/63/33/39/854633339.db2.gz QDTOKOZXIGFSPF-YQVWRLOYSA-N 0 0 390.528 3.537 10 30 GHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000330139513 862607779 /nfs/dbraw/zinc/60/77/79/862607779.db2.gz IUQXZSITFJTUJT-RVZJWNSFSA-N 0 0 392.862 3.526 10 30 GHEERN C[C@H](NC(=O)N1CCCN(c2ncccc2C#N)CC1)c1cccc(Cl)c1 ZINC000056552210 855569385 /nfs/dbraw/zinc/56/93/85/855569385.db2.gz PHBVYPMBENLNRN-HNNXBMFYSA-N 0 0 383.883 3.590 10 30 GHEERN N#C[C@@H]1N(C(=O)C[C@H]2Sc3ccccc3NC2=O)CCC[C@]12CCCCO2 ZINC000329031268 860961311 /nfs/dbraw/zinc/96/13/11/860961311.db2.gz XEBJVFOSEXFMOL-FUHIMQAGSA-N 0 0 385.489 3.593 10 30 GHEERN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H](n2cncn2)C1 ZINC000329183743 861114483 /nfs/dbraw/zinc/11/44/83/861114483.db2.gz PLEDTDFJUCPSAB-LSDHHAIUSA-N 0 0 398.536 3.794 10 30 GHEERN Cc1nccn1-c1ccc([C@@H](C)NC(=O)NCc2cc(C#N)ccc2F)cc1 ZINC000122863619 864799847 /nfs/dbraw/zinc/79/98/47/864799847.db2.gz HZRYABHMEJGJDC-CQSZACIVSA-N 0 0 377.423 3.752 10 30 GHEERN COc1cc(/C=C/C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)ccc1OCC#N ZINC000173069497 882318647 /nfs/dbraw/zinc/31/86/47/882318647.db2.gz SPUNCQUZBRTAQS-DBWMJRBXSA-N 0 0 397.500 3.782 10 30 GHEERN C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000175281459 882564452 /nfs/dbraw/zinc/56/44/52/882564452.db2.gz JHXKPZPZDDDNCX-UHFFFAOYSA-N 0 0 389.503 3.628 10 30 GHEERN N#Cc1cccnc1N1CCN(C(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000105286734 875205202 /nfs/dbraw/zinc/20/52/02/875205202.db2.gz HXRQJMZSCZDZMZ-UHFFFAOYSA-N 0 0 392.406 3.528 10 30 GHEERN Cc1nc([C@@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)c2ccccc2F)no1 ZINC000180049649 883046807 /nfs/dbraw/zinc/04/68/07/883046807.db2.gz QCUYNTSBHAKFGJ-XIKOKIGWSA-N 0 0 395.394 3.719 10 30 GHEERN CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CCCCC[C@H]2c2ccncc2)cc1 ZINC000193884854 888531872 /nfs/dbraw/zinc/53/18/72/888531872.db2.gz FMSHOGWEVJWKIY-FQEVSTJZSA-N 0 0 390.487 3.965 10 30 GHEERN CNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2cccc(Cl)c2)S1 ZINC000006179156 204169929 /nfs/dbraw/zinc/16/99/29/204169929.db2.gz USJJRXYZADAOIW-BWORXHKJSA-N 0 0 387.892 3.608 10 30 GHEERN O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)C1(/C=N/O)c3ccccc3C2c2ccccc21 ZINC000005377563 204129589 /nfs/dbraw/zinc/12/95/89/204129589.db2.gz INDQAPBGHBPJAY-FRRXQRSVSA-N 0 0 394.430 3.697 10 30 GHEERN CCOC(=O)c1sc(N=NCc2ccc(OC)c(Br)c2)nc1C ZINC000033378096 521610745 /nfs/dbraw/zinc/61/07/45/521610745.db2.gz QOXRIJCGPNMBIT-IUXPMGMMSA-N 0 0 398.282 3.845 10 30 GHEERN O=C(NC[C@@H]1CCC[C@@H]1O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000329841932 834894258 /nfs/dbraw/zinc/89/42/58/834894258.db2.gz KGENFODHAHHGFZ-BPUTZDHNSA-N 0 0 389.496 3.991 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3COc4ccc(Cl)cc4C3)C2)nn1 ZINC000329474735 835104705 /nfs/dbraw/zinc/10/47/05/835104705.db2.gz BQKPLRHOMSCBCK-WBVHZDCISA-N 0 0 386.883 3.615 10 30 GHEERN CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])NC1CC(c3cccc(Cl)c3)C1)CC2 ZINC000329493753 835141281 /nfs/dbraw/zinc/14/12/81/835141281.db2.gz IDZHHKQLAVKYAW-ARWYELJZSA-N 0 0 387.915 3.820 10 30 GHEERN CN1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3C[C@H]3C3CCCCC3)cc2)CC1 ZINC000329739050 835833825 /nfs/dbraw/zinc/83/38/25/835833825.db2.gz URWGHXPHKBILGT-LEWJYISDSA-N 0 0 383.536 3.747 10 30 GHEERN N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@H]3Cn3ccnc3)c2)cc1 ZINC000177751615 839300907 /nfs/dbraw/zinc/30/09/07/839300907.db2.gz FYDALFMODRPZIR-NRFANRHFSA-N 0 0 386.455 3.639 10 30 GHEERN N#Cc1cccnc1N1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000105287338 840620716 /nfs/dbraw/zinc/62/07/16/840620716.db2.gz MMNIPSUNYGQYFO-UHFFFAOYSA-N 0 0 384.439 3.708 10 30 GHEERN Cc1nc([C@H]2CCCN2C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)no1 ZINC000329345136 861310436 /nfs/dbraw/zinc/31/04/36/861310436.db2.gz BUSMOVVWIYMWJH-JRQWYPPZSA-N 0 0 386.496 3.605 10 30 GHEERN O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CSCN1C(=O)C1CCC1 ZINC000328867418 842719820 /nfs/dbraw/zinc/71/98/20/842719820.db2.gz CDTNNRJDIGCSPI-HZPDHXFCSA-N 0 0 393.578 3.543 10 30 GHEERN O=C(C[C@@H]1CCCCNC1=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000329446697 861441895 /nfs/dbraw/zinc/44/18/95/861441895.db2.gz NZRHAKGLTDARRM-FUHWJXTLSA-N 0 0 393.915 3.817 10 30 GHEERN O=C(C[C@@H]1CCCCNC1=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000329446698 861442494 /nfs/dbraw/zinc/44/24/94/861442494.db2.gz NZRHAKGLTDARRM-WMZOPIPTSA-N 0 0 393.915 3.817 10 30 GHEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000330331951 843694434 /nfs/dbraw/zinc/69/44/34/843694434.db2.gz ONDCBBFXQSYSAO-LHSJRXKWSA-N 0 0 378.476 3.863 10 30 GHEERN CC(C)[C@@H]1C[C@@H](CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c2ccccc21 ZINC000329476803 861498151 /nfs/dbraw/zinc/49/81/51/861498151.db2.gz BQSLZAJIXCKKIL-XXGVUKKKSA-N 0 0 386.536 3.689 10 30 GHEERN N#CCC[C@@H](NC(=O)N1CCCN(C(=O)c2cccs2)CC1)c1ccccc1 ZINC000151430936 845205305 /nfs/dbraw/zinc/20/53/05/845205305.db2.gz KESDASIEKJBPNR-GOSISDBHSA-N 0 0 396.516 3.651 10 30 GHEERN N#CCC[C@H](NC(=O)N1CCCN(C(=O)c2cccs2)CC1)c1ccccc1 ZINC000151431003 845205355 /nfs/dbraw/zinc/20/53/55/845205355.db2.gz KESDASIEKJBPNR-SFHVURJKSA-N 0 0 396.516 3.651 10 30 GHEERN C[C@@H](NC(=O)N1CCC(Cc2cccnc2)CC1)c1ccc2c(c1)OCCO2 ZINC000329132010 849815040 /nfs/dbraw/zinc/81/50/40/849815040.db2.gz YDAXSGDHXHJUGJ-MRXNPFEDSA-N 0 0 381.476 3.783 10 30 GHEERN O=C(CNC1(c2noc(C3CC3)n2)CCCC1)Nc1nc2c(s1)CCCC2 ZINC000329770362 862311097 /nfs/dbraw/zinc/31/10/97/862311097.db2.gz ISBVTWQKVZLDGB-UHFFFAOYSA-N 0 0 387.509 3.929 10 30 GHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000330090781 862567567 /nfs/dbraw/zinc/56/75/67/862567567.db2.gz PMZIEUBKVRKJNO-RDTXWAMCSA-N 0 0 397.504 3.996 10 30 GHEERN CSc1ccccc1[C@@H](C)NC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000328636543 854485344 /nfs/dbraw/zinc/48/53/44/854485344.db2.gz CLZZIEBUPUZGML-OAGGEKHMSA-N 0 0 375.538 3.764 10 30 GHEERN CC1(C)CCc2ccccc2[C@H]1NC(=O)NCc1cccc(N2CCOCC2)n1 ZINC000330096818 862570903 /nfs/dbraw/zinc/57/09/03/862570903.db2.gz YBJOVDFCWGVUBM-OAQYLSRUSA-N 0 0 394.519 3.636 10 30 GHEERN Cc1nc(NC(=O)[C@H](C)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)sc1C ZINC000328679900 854507243 /nfs/dbraw/zinc/50/72/43/854507243.db2.gz NIWGYEUUPHWJSE-TVSHIAKJSA-N 0 0 395.488 3.731 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@]1(C)CCCN(C(=O)c3ccccc3)C1)CCC2 ZINC000328693833 854511914 /nfs/dbraw/zinc/51/19/14/854511914.db2.gz CRTXGEYKWATICI-CVDCTZTESA-N 0 0 394.519 3.968 10 30 GHEERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000328726446 854537962 /nfs/dbraw/zinc/53/79/62/854537962.db2.gz ZPQZFHYCWCZWDP-IHPCNDPISA-N 0 0 386.536 3.771 10 30 GHEERN C[C@H](NC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1)c1ccc(Oc2ccccc2)cc1 ZINC000328846457 854574074 /nfs/dbraw/zinc/57/40/74/854574074.db2.gz AMFCMHJQNSKAEK-HSQYWUDLSA-N 0 0 395.503 3.859 10 30 GHEERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000328965461 854635707 /nfs/dbraw/zinc/63/57/07/854635707.db2.gz MJFNMSZFDWLKNM-ZHALLVOQSA-N 0 0 391.512 3.616 10 30 GHEERN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(Br)s1 ZINC000328985043 854641630 /nfs/dbraw/zinc/64/16/30/854641630.db2.gz ZNAQACQNEUGGQD-BXUZGUMPSA-N 0 0 384.299 3.869 10 30 GHEERN CC(C)C(=O)N1CCN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000330160689 862624366 /nfs/dbraw/zinc/62/43/66/862624366.db2.gz SHBUXXPTNOLZEH-SFHVURJKSA-N 0 0 385.508 3.537 10 30 GHEERN N#Cc1cnc2ccc(Cl)cc2c1N1CCCN(C(=O)c2ccncc2)CC1 ZINC000301353653 855677802 /nfs/dbraw/zinc/67/78/02/855677802.db2.gz JTKSJFYGRCVUPH-UHFFFAOYSA-N 0 0 391.862 3.507 10 30 GHEERN Cn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000330340394 863022109 /nfs/dbraw/zinc/02/21/09/863022109.db2.gz XWZSUSYAGFOCGY-LXZKKBNFSA-N 0 0 386.477 3.749 10 30 GHEERN Cc1c(F)cccc1NC(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000330355237 863061368 /nfs/dbraw/zinc/06/13/68/863061368.db2.gz QKBGQQBMFQUREC-INIZCTEOSA-N 0 0 384.455 3.828 10 30 GHEERN O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)N[C@H]1CCO[C@@H]1c1cccnc1 ZINC000329047914 860975521 /nfs/dbraw/zinc/97/55/21/860975521.db2.gz JZSNJKZEQNSGQB-OFQRWUPVSA-N 0 0 394.258 3.856 10 30 GHEERN Cc1ccc(NC(=O)NC(=O)[C@@H](C)N2CC[C@H](c3nc(C4CC4)no3)C2)c(C)c1 ZINC000329067673 860989181 /nfs/dbraw/zinc/98/91/81/860989181.db2.gz XDPSVAYCNSGQSW-ZBFHGGJFSA-N 0 0 397.479 3.944 10 30 GHEERN Cc1noc([C@H](NC(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)C2CCOCC2)n1 ZINC000329142764 861063158 /nfs/dbraw/zinc/06/31/58/861063158.db2.gz VFYIGCHJJHBBAV-MGPLVRAMSA-N 0 0 396.850 3.903 10 30 GHEERN Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000329161069 861089479 /nfs/dbraw/zinc/08/94/79/861089479.db2.gz FBULFXKHUYQFGT-IXDOHACOSA-N 0 0 387.505 3.965 10 30 GHEERN CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@@H]1CCOc2ccc(Cl)cc21 ZINC000329162199 861089536 /nfs/dbraw/zinc/08/95/36/861089536.db2.gz FSHCWZDSMSMFKK-KMFMINBZSA-N 0 0 375.856 3.909 10 30 GHEERN N#Cc1ccccc1N1CCN(C(=O)N[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000101776541 865071815 /nfs/dbraw/zinc/07/18/15/865071815.db2.gz JCVNQECFFYSMCM-JOCHJYFZSA-N 0 0 386.455 3.772 10 30 GHEERN Cc1cccc(NC(=O)N2CCC(C(=O)Nc3ccc(CC#N)cc3)CC2)c1 ZINC000120385197 875962416 /nfs/dbraw/zinc/96/24/16/875962416.db2.gz YGQOPIFMQBHORT-UHFFFAOYSA-N 0 0 376.460 3.944 10 30 GHEERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)CCc3c(C)nn(CCC#N)c3C)C2)cc1 ZINC000121948368 878061964 /nfs/dbraw/zinc/06/19/64/878061964.db2.gz FMOVWLUKMACNNU-OXJNMPFZSA-N 0 0 394.519 3.759 10 30 GHEERN C=CCNC(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1 ZINC000103315760 885989447 /nfs/dbraw/zinc/98/94/47/885989447.db2.gz DOYDBXUPAMXSBE-NRFANRHFSA-N 0 0 386.455 3.909 10 30 GHEERN Cc1ccc(OC2CCN(C(=O)Cc3ccc(OCC#N)cc3)CC2)cc1C ZINC000110226758 886192661 /nfs/dbraw/zinc/19/26/61/886192661.db2.gz IRTCRSXWFWRISB-UHFFFAOYSA-N 0 0 378.472 3.818 10 30 GHEERN Cc1cc([C@H]2CN(C(=O)/C=C/c3ccc(OCC#N)cc3)CCO2)ccc1F ZINC000134783635 887911100 /nfs/dbraw/zinc/91/11/00/887911100.db2.gz RVAMTTQIKXWWAJ-AZJBKQKUSA-N 0 0 380.419 3.650 10 30 GHEERN C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)nnc1C1CC1 ZINC000053423865 888227556 /nfs/dbraw/zinc/22/75/56/888227556.db2.gz DWPISKIPRQJDDM-GOSISDBHSA-N 0 0 398.532 3.806 10 30 GHEERN C=CCc1cc(OC)ccc1OC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000060925703 888482492 /nfs/dbraw/zinc/48/24/92/888482492.db2.gz XYEZTXZBOPEGBH-UHFFFAOYSA-N 0 0 385.485 3.943 10 30 GHEERN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000105911336 890910766 /nfs/dbraw/zinc/91/07/66/890910766.db2.gz BIAVWECTLFNFEV-HXUWFJFHSA-N 0 0 375.472 3.658 10 30 GHEERN CCN(C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000105909106 890944055 /nfs/dbraw/zinc/94/40/55/890944055.db2.gz BOHHMAZUUTWNBT-PXNSSMCTSA-N 0 0 375.472 3.829 10 30 GHEERN CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000027533090 520531181 /nfs/dbraw/zinc/53/11/81/520531181.db2.gz SIQYREDKOXZCGX-PXNSSMCTSA-N 0 0 389.451 3.935 10 30 GHEERN O=S(=O)(c1ccc(/N=C/c2cccc(Cl)c2Cl)cc1)N1CCOCC1 ZINC000100039880 527269751 /nfs/dbraw/zinc/26/97/51/527269751.db2.gz DQZIHQJGSPQISH-UDWIEESQSA-N 0 0 399.299 3.765 10 30 GHEERN C/C(=N/OCC(=O)N[C@H]1CCCC[C@@H]1C)c1nc2ccccc2n1C(F)F ZINC000096935744 527536624 /nfs/dbraw/zinc/53/66/24/527536624.db2.gz JLPYTQIWROQDPN-KHNAPVRJSA-N 0 0 378.423 3.867 10 30 GHEERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000329208031 834546069 /nfs/dbraw/zinc/54/60/69/834546069.db2.gz FKKHWMSLBFMLSW-CHWSQXEVSA-N 0 0 390.958 3.940 10 30 GHEERN O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)N[C@H]1CCOc2ccccc21 ZINC000329806889 834564355 /nfs/dbraw/zinc/56/43/55/834564355.db2.gz LLTMUWXJXNGTSC-DLBZAZTESA-N 0 0 399.878 3.863 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)NC3(c4ccc(F)cc4)CCCC3)C2)nn1 ZINC000329370079 834923182 /nfs/dbraw/zinc/92/31/82/834923182.db2.gz ARFPJAOXQIDPAA-IBGZPJMESA-N 0 0 397.498 3.866 10 30 GHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000329652941 835535814 /nfs/dbraw/zinc/53/58/14/835535814.db2.gz LCPVVQHKPSXFST-KBPBESRZSA-N 0 0 381.461 3.713 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@H](c3ccccc3)C3CCC3)C2)nn1 ZINC000329678069 835661044 /nfs/dbraw/zinc/66/10/44/835661044.db2.gz QEGBINIFKYKLLS-PZJWPPBQSA-N 0 0 379.508 3.799 10 30 GHEERN Cc1ccc(CN2CC[C@@H](NC(=O)NC3CCC(C(F)(F)F)CC3)C2=O)cc1 ZINC000330059679 839005188 /nfs/dbraw/zinc/00/51/88/839005188.db2.gz LKPXEGMRVZTHSM-OFLPRAFFSA-N 0 0 397.441 3.721 10 30 GHEERN Cc1cc2c[nH]nc2c(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)c1 ZINC000328708172 839132730 /nfs/dbraw/zinc/13/27/30/839132730.db2.gz QHDOYWJNMSXUNT-UHFFFAOYSA-N 0 0 383.496 3.887 10 30 GHEERN N#Cc1ccccc1C=CC(=O)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000588392267 840370202 /nfs/dbraw/zinc/37/02/02/840370202.db2.gz SHZHNJKIMLKAPN-CBUFDYBVSA-N 0 0 383.455 3.763 10 30 GHEERN Cc1nc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)cs1 ZINC000328781932 841380322 /nfs/dbraw/zinc/38/03/22/841380322.db2.gz JOAPISCIWFWSMI-NHYWBVRUSA-N 0 0 387.461 3.503 10 30 GHEERN O=C1c2cc(F)cc([N+](=O)[O-])c2OC/C1=C\c1c(Cl)nc2sccn12 ZINC000588425591 842036539 /nfs/dbraw/zinc/03/65/39/842036539.db2.gz SBHDELUUMBWKHG-XVNBXDOJSA-N 0 0 379.756 3.755 10 30 GHEERN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)N1CC[C@@H]2CCC[C@H]21 ZINC000330261077 843071598 /nfs/dbraw/zinc/07/15/98/843071598.db2.gz TYQDWWSXXMCOAH-HNAYVOBHSA-N 0 0 385.489 3.907 10 30 GHEERN COc1cc([C@@H](C)NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)ccc1OCC(C)C ZINC000329433337 861419871 /nfs/dbraw/zinc/41/98/71/861419871.db2.gz IMZJQLONFFHOGO-DJIMGWMZSA-N 0 0 389.496 3.756 10 30 GHEERN C=C(C)C[C@@H](C)C(=O)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O ZINC000588473684 844650006 /nfs/dbraw/zinc/65/00/06/844650006.db2.gz BXXBBYGOWVUYSR-KWWJGWKXSA-N 0 0 376.453 3.581 10 30 GHEERN COCCn1cc2c(n1)[C@H](NC(=O)N[C@H]1CCSc3ccccc31)CCC2 ZINC000329527748 861591631 /nfs/dbraw/zinc/59/16/31/861591631.db2.gz SFJWUKIQQGBCLW-DLBZAZTESA-N 0 0 386.521 3.648 10 30 GHEERN N#C[C@H]1CN(C(=O)Nc2cccc(-c3ncco3)c2)CCN1Cc1ccccc1 ZINC000152326341 846689497 /nfs/dbraw/zinc/68/94/97/846689497.db2.gz MEYPLAXXSLSZGA-FQEVSTJZSA-N 0 0 387.443 3.583 10 30 GHEERN CC(=O)N1C[C@H](CCC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)c2ccccc21 ZINC000329612204 861774078 /nfs/dbraw/zinc/77/40/78/861774078.db2.gz KAVGXAMYJHHHLX-CSODHUTKSA-N 0 0 388.533 3.928 10 30 GHEERN CC(=O)N1C[C@H](CCC(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)c2ccccc21 ZINC000329632406 861851997 /nfs/dbraw/zinc/85/19/97/861851997.db2.gz RVFQYIDXMWYHNC-OALUTQOASA-N 0 0 399.535 3.768 10 30 GHEERN CC(=O)N1C[C@H](CCC(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)c2ccccc21 ZINC000329636199 861855939 /nfs/dbraw/zinc/85/59/39/861855939.db2.gz UXFHSNIZZJPWSH-NUJGCVRESA-N 0 0 385.508 3.663 10 30 GHEERN Cc1cc(Br)cc(C)c1N1CCC[C@H](N[C@H]2CCC[C@H]2C#N)C1=O ZINC000333669595 849947953 /nfs/dbraw/zinc/94/79/53/849947953.db2.gz XYBUMOSVDDMRQX-XIRDDKMYSA-N 0 0 390.325 3.843 10 30 GHEERN Cc1cc(Br)cc(C)c1N1CCC[C@H](N[C@@H]2CCC[C@H]2C#N)C1=O ZINC000333669593 849948160 /nfs/dbraw/zinc/94/81/60/849948160.db2.gz XYBUMOSVDDMRQX-UAGQMJEPSA-N 0 0 390.325 3.843 10 30 GHEERN CCS[C@H]1CCCCN(C(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C1 ZINC000329706442 862161988 /nfs/dbraw/zinc/16/19/88/862161988.db2.gz KYIMVGRAISLZPJ-PMPSAXMXSA-N 0 0 394.541 3.689 10 30 GHEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000329752294 862293276 /nfs/dbraw/zinc/29/32/76/862293276.db2.gz WENBNPTUCZPNJX-MGPUTAFESA-N 0 0 398.482 3.883 10 30 GHEERN Cc1ccc([C@H](C)NC(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)cc1F ZINC000329904852 862412383 /nfs/dbraw/zinc/41/23/83/862412383.db2.gz AFSRLFAZPJLFRP-XJKSGUPXSA-N 0 0 376.432 3.689 10 30 GHEERN CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2C[C@H]2C2CCCCC2)n1 ZINC000329937888 862438964 /nfs/dbraw/zinc/43/89/64/862438964.db2.gz LTEQKBGVVHMZJG-XLAORIBOSA-N 0 0 389.519 3.632 10 30 GHEERN CCCC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)C1 ZINC000330238621 862683833 /nfs/dbraw/zinc/68/38/33/862683833.db2.gz IAPLZWPECZZJOT-INIZCTEOSA-N 0 0 392.525 3.527 10 30 GHEERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000116477719 858991660 /nfs/dbraw/zinc/99/16/60/858991660.db2.gz AAQRWKAYLNZCIF-KUHUBIRLSA-N 0 0 383.883 3.639 10 30 GHEERN CC(=O)N1CC[C@@H](NC(=O)Nc2cccc(C#N)c2C)c2ccc(F)cc2C1 ZINC000185468670 860352401 /nfs/dbraw/zinc/35/24/01/860352401.db2.gz GBPIMHUOYMHIEH-HXUWFJFHSA-N 0 0 380.423 3.621 10 30 GHEERN Cc1noc([C@H](NC(=O)N[C@@H](C)c2ccc(C)c(F)c2)C2CCOCC2)n1 ZINC000329050733 860979277 /nfs/dbraw/zinc/97/92/77/860979277.db2.gz KTAHJGKSTIWSHZ-YVEFUNNKSA-N 0 0 376.432 3.558 10 30 GHEERN O=C(N[C@H]1CCO[C@@H]1c1cccnc1)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000329200059 861135485 /nfs/dbraw/zinc/13/54/85/861135485.db2.gz VDWOXZCMKAAJGH-OKZBNKHCSA-N 0 0 387.867 3.983 10 30 GHEERN O=C(N[C@H]1CCO[C@@H]1c1cccnc1)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000329200058 861135588 /nfs/dbraw/zinc/13/55/88/861135588.db2.gz VDWOXZCMKAAJGH-FGTMMUONSA-N 0 0 387.867 3.983 10 30 GHEERN C[C@](C#N)(CCc1ccccc1)NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000171835827 882164481 /nfs/dbraw/zinc/16/44/81/882164481.db2.gz XQFAIURMTSSJFF-JOCHJYFZSA-N 0 0 395.528 3.632 10 30 GHEERN N#CCCSc1ccccc1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172995989 882330824 /nfs/dbraw/zinc/33/08/24/882330824.db2.gz UCNQSMMMAPJAIE-UHFFFAOYSA-N 0 0 394.500 3.578 10 30 GHEERN N#CCCCOc1cccc(CN2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000093385773 882524429 /nfs/dbraw/zinc/52/44/29/882524429.db2.gz UPFJOKZAHNVYST-UHFFFAOYSA-N 0 0 383.517 3.779 10 30 GHEERN COc1ccccc1CC1CCN(CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000102410493 882743860 /nfs/dbraw/zinc/74/38/60/882743860.db2.gz DCHOQZPUQNANEG-UHFFFAOYSA-N 0 0 381.476 3.670 10 30 GHEERN Cc1nc([C@@H](NC(=O)Nc2ccccc2O[C@@H](C)C#N)c2ccccc2F)no1 ZINC000180049620 883046714 /nfs/dbraw/zinc/04/67/14/883046714.db2.gz QCUYNTSBHAKFGJ-SGTLLEGYSA-N 0 0 395.394 3.719 10 30 GHEERN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000184340156 883343952 /nfs/dbraw/zinc/34/39/52/883343952.db2.gz GCBGGPQLMJSASF-IAGOWNOFSA-N 0 0 392.459 3.860 10 30 GHEERN C=CCOc1ccccc1C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185519955 883550374 /nfs/dbraw/zinc/55/03/74/883550374.db2.gz HNZBOAFUOCUWJB-HXUWFJFHSA-N 0 0 382.435 3.614 10 30 GHEERN COc1ccc(CN2CCn3c(C(C)C)nnc3[C@@H]2C)cc1OCCCC#N ZINC000188463751 883852296 /nfs/dbraw/zinc/85/22/96/883852296.db2.gz DYFJBXZSYVXGRC-INIZCTEOSA-N 0 0 383.496 3.669 10 30 GHEERN CN1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1=O ZINC000191874678 884225947 /nfs/dbraw/zinc/22/59/47/884225947.db2.gz REERHXMFAOMJGL-GOSISDBHSA-N 0 0 396.878 3.691 10 30 GHEERN C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000193627317 888513548 /nfs/dbraw/zinc/51/35/48/888513548.db2.gz BQPYKRCYMFNLCD-IBGZPJMESA-N 0 0 379.460 3.519 10 30 GHEERN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cc1 ZINC000246915125 891323481 /nfs/dbraw/zinc/32/34/81/891323481.db2.gz FGHYMDGWSQQWFD-XUVXKRRUSA-N 0 0 383.492 3.580 10 30 GHEERN Cc1ccc([C@@H]2CN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)CCO2)o1 ZINC000247189647 891352559 /nfs/dbraw/zinc/35/25/59/891352559.db2.gz YIGJSPPLMSZBTO-APWZRJJASA-N 0 0 399.516 3.994 10 30 GHEERN N#Cc1ccccc1OCc1cccc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)c1 ZINC000181369151 906983557 /nfs/dbraw/zinc/98/35/57/906983557.db2.gz CRHLQZBJAGODGB-IBGZPJMESA-N 0 0 387.443 3.623 10 30 GHEERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000190009968 908402263 /nfs/dbraw/zinc/40/22/63/908402263.db2.gz MUYALISRXNPQQL-UZLBHIALSA-N 0 0 388.427 3.519 10 30 GHEERN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N=NCc1ccc2c(c1)OCO2 ZINC000004863911 204082741 /nfs/dbraw/zinc/08/27/41/204082741.db2.gz FZDBODMQPYDPQY-KPSZGOFPSA-N 0 0 398.253 3.697 10 30 GHEERN COc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc(C)c(C)c3)S2)cc1 ZINC000005197085 204118206 /nfs/dbraw/zinc/11/82/06/204118206.db2.gz UIWOEHAXWVNHMH-GLEDVZQVSA-N 0 0 397.500 3.902 10 30 GHEERN C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@@H](CO)CC1=CC(=O)CC[C@@]13C ZINC000077300670 205357080 /nfs/dbraw/zinc/35/70/80/205357080.db2.gz SHFCXGNTMGPRSS-MQSRJSRPSA-N 0 0 384.516 3.668 10 30 in-vitro GHEERN CC(C)(C)OC(=O)CN(CC=O)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000038299202 518791970 /nfs/dbraw/zinc/79/19/70/518791970.db2.gz RUYOJGDQYFSHNU-UHFFFAOYSA-N 0 0 395.455 3.778 10 30 GHEERN CCCCCCCCc1ccc2c(c1)CC[C@@H](C(CO)(CO)NC(C)=O)C2 ZINC000100075034 520050038 /nfs/dbraw/zinc/05/00/38/520050038.db2.gz QGEYCNBEQMCZFK-JOCHJYFZSA-N 0 0 375.553 3.554 10 30 GHEERN COc1cc(/C=N\c2ccc(S(=O)(=O)N3CCCCCC3)cc2)ccc1O ZINC000005720222 522011073 /nfs/dbraw/zinc/01/10/73/522011073.db2.gz VOBRPFDHSPTWFA-QNGOZBTKSA-N 0 0 388.489 3.716 10 30 GHEERN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@@H]2CCc3ccccc32)CC1 ZINC000329206024 834556215 /nfs/dbraw/zinc/55/62/15/834556215.db2.gz XZFDPNQCUFCIEU-OAQYLSRUSA-N 0 0 391.515 3.766 10 30 GHEERN Cc1nc([C@H]2CCCN2C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)no1 ZINC000329311787 834819979 /nfs/dbraw/zinc/81/99/79/834819979.db2.gz PUJXTORPODQSDD-JRQWYPPZSA-N 0 0 386.496 3.605 10 30 GHEERN O=C(NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)N[C@@H]1CCCNC1=O ZINC000329836250 834874735 /nfs/dbraw/zinc/87/47/35/834874735.db2.gz MKKCPGFZAVMNBZ-GDBMZVCRSA-N 0 0 384.505 3.538 10 30 GHEERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC1(c2noc(C)n2)CCCCCC1 ZINC000329635669 835474093 /nfs/dbraw/zinc/47/40/93/835474093.db2.gz XYGHVSQBLCJMIZ-HZPDHXFCSA-N 0 0 387.484 3.878 10 30 GHEERN Cc1ccc([C@H]2CN(CC(=O)c3cn(CCC#N)c4ccccc34)CCO2)o1 ZINC000158885587 835581683 /nfs/dbraw/zinc/58/16/83/835581683.db2.gz MCIJTKNYGUWUNP-JOCHJYFZSA-N 0 0 377.444 3.713 10 30 GHEERN COc1c(Cl)cc(NC(=O)N2CCCN(c3cccnn3)CC2)cc1Cl ZINC000329782809 835949250 /nfs/dbraw/zinc/94/92/50/835949250.db2.gz OASJKEUICUPJCM-UHFFFAOYSA-N 0 0 396.278 3.550 10 30 GHEERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)Nc1nc2c(s1)CCCCC2 ZINC000329914035 836088574 /nfs/dbraw/zinc/08/85/74/836088574.db2.gz OXMHPBIUAROMGG-YOEHRIQHSA-N 0 0 389.525 3.618 10 30 GHEERN O=C(NC[C@H]1CCCCC(F)(F)C1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000330186405 838646225 /nfs/dbraw/zinc/64/62/25/838646225.db2.gz SAQFPFJIBNLRSO-ZFWWWQNUSA-N 0 0 386.464 3.624 10 30 GHEERN COCCn1nc(C)c(C(=O)/C=C\c2ccc(Br)cc2OC)c1C ZINC000588419225 841824105 /nfs/dbraw/zinc/82/41/05/841824105.db2.gz JQXVEZLCYGZQNA-VURMDHGXSA-N 0 0 393.281 3.814 10 30 GHEERN C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000329305916 861267209 /nfs/dbraw/zinc/26/72/09/861267209.db2.gz XSBOTLPHWVSEQD-WSTZPKSXSA-N 0 0 399.535 3.532 10 30 GHEERN O=C(NCc1ccccc1)C1CCN(C(=O)NCc2cn3c(n2)CCCC3)CC1 ZINC000328822283 842258217 /nfs/dbraw/zinc/25/82/17/842258217.db2.gz ICFCQKYFXNDZKT-UHFFFAOYSA-N 0 0 395.507 3.502 10 30 GHEERN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC4(CCC4)c4ccccc43)C2)n1 ZINC000408337847 842571050 /nfs/dbraw/zinc/57/10/50/842571050.db2.gz DKOYLHCXPBVIEL-IBGZPJMESA-N 0 0 386.499 3.947 10 30 GHEERN CCc1csc([C@@H]2CCCN(C(=O)NC[C@@H]3COc4ccccc4O3)C2)n1 ZINC000329397329 861373756 /nfs/dbraw/zinc/37/37/56/861373756.db2.gz WLUFQMIPAMIBMN-GDBMZVCRSA-N 0 0 387.505 3.639 10 30 GHEERN Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)N3CC[C@H]4CCC[C@H]43)cs2)c1 ZINC000330291380 843531704 /nfs/dbraw/zinc/53/17/04/843531704.db2.gz CTBPMJIRVYAWKG-CZUORRHYSA-N 0 0 385.489 3.737 10 30 GHEERN Cc1cccc2[nH]c(CCC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)nc21 ZINC000176255258 845018479 /nfs/dbraw/zinc/01/84/79/845018479.db2.gz YWKAVOGZHUOABW-UHFFFAOYSA-N 0 0 388.471 3.746 10 30 GHEERN O=C(NC[C@@H]1CCCN1c1cccnn1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000329560105 861668039 /nfs/dbraw/zinc/66/80/39/861668039.db2.gz MFEHSRDRJFYLLL-INIZCTEOSA-N 0 0 375.476 3.810 10 30 GHEERN COCCn1cc2c(n1)[C@H](NC(=O)N[C@H]1CCCc3cc(F)ccc31)CCC2 ZINC000329602553 861748411 /nfs/dbraw/zinc/74/84/11/861748411.db2.gz YDCLYVXRRFFKDR-RBUKOAKNSA-N 0 0 386.471 3.627 10 30 GHEERN CN(C(=O)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@H]1CCc2ccccc21 ZINC000329699303 862102354 /nfs/dbraw/zinc/10/23/54/862102354.db2.gz GAYCXLWOBNWGTA-NJAFHUGGSA-N 0 0 382.464 3.700 10 30 GHEERN Cc1nn(C)c(-n2ccnc2C)c1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000330010300 862503367 /nfs/dbraw/zinc/50/33/67/862503367.db2.gz HZNVJIAHEREBJS-MRXNPFEDSA-N 0 0 379.464 3.830 10 30 GHEERN N#Cc1cccc(CS(=O)(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000122960189 854264658 /nfs/dbraw/zinc/26/46/58/854264658.db2.gz UOTGQPVSZAJKFA-IBGZPJMESA-N 0 0 382.485 3.814 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1)CCC2 ZINC000328659224 854493245 /nfs/dbraw/zinc/49/32/45/854493245.db2.gz SIHHAKQDGXSGIO-NSHGMRRFSA-N 0 0 380.492 3.635 10 30 GHEERN CC1(C)CN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000328751448 854527680 /nfs/dbraw/zinc/52/76/80/854527680.db2.gz RASHYBOYRGHMRN-KQDGPHEJSA-N 0 0 375.513 3.612 10 30 GHEERN CCCC(=O)N[C@@H]1CCCN(C(=O)c2sc([C@H]3CCCOC3)nc2C)C1 ZINC000328880102 854595619 /nfs/dbraw/zinc/59/56/19/854595619.db2.gz VPKGBXLUFYIGQL-LSDHHAIUSA-N 0 0 379.526 3.707 10 30 GHEERN Cn1nccc1N1CCC[C@H](NC(=O)C2(c3ccc(F)cc3)CCCCC2)C1=O ZINC000330119704 862587802 /nfs/dbraw/zinc/58/78/02/862587802.db2.gz ATQRXGZJZKFDGC-SFHVURJKSA-N 0 0 398.482 3.913 10 30 GHEERN Cc1cc(NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)cnc1N1CCCC[C@@H]1C ZINC000330146111 862612663 /nfs/dbraw/zinc/61/26/63/862612663.db2.gz LIABXIIJOGUVLB-KVSKMBFKSA-N 0 0 383.496 3.868 10 30 GHEERN N#Cc1c2c(sc1NC(=O)[C@@H]1CCCCN1C(=O)c1cccnc1)CCCC2 ZINC000172678560 856534845 /nfs/dbraw/zinc/53/48/45/856534845.db2.gz DMINBMSBAGBXQZ-KRWDZBQOSA-N 0 0 394.500 3.527 10 30 GHEERN CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000330329136 862911087 /nfs/dbraw/zinc/91/10/87/862911087.db2.gz MHWGQYWWWMJJPX-VLCRHTCISA-N 0 0 395.551 3.726 10 30 GHEERN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)/C=C/c1cccc(C#N)c1 ZINC000117708402 859579772 /nfs/dbraw/zinc/57/97/72/859579772.db2.gz UQTDREHCQSWMGH-BQYDLMEBSA-N 0 0 389.455 3.518 10 30 GHEERN O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)N[C@H]1CCO[C@@H]1c1cccnc1 ZINC000329047918 860974971 /nfs/dbraw/zinc/97/49/71/860974971.db2.gz JZSNJKZEQNSGQB-SQWLQELKSA-N 0 0 394.258 3.856 10 30 GHEERN Cc1nc([C@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)c2ccccc2F)no1 ZINC000180049635 883047133 /nfs/dbraw/zinc/04/71/33/883047133.db2.gz QCUYNTSBHAKFGJ-KZULUSFZSA-N 0 0 395.394 3.719 10 30 GHEERN COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000170889965 878958738 /nfs/dbraw/zinc/95/87/38/878958738.db2.gz UOVOETKPZDTKCR-INIZCTEOSA-N 0 0 385.489 3.589 10 30 GHEERN N#CCOc1ccc(/C=C/C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000185971436 883611177 /nfs/dbraw/zinc/61/11/77/883611177.db2.gz ACOCOMDIRNBISB-ZGBFETHSSA-N 0 0 382.847 3.856 10 30 GHEERN CCOCCOCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000102731070 884386096 /nfs/dbraw/zinc/38/60/96/884386096.db2.gz HKUWGPPSUADDSH-UHFFFAOYSA-N 0 0 388.851 3.782 10 30 GHEERN O=S(=O)(c1ccc(/N=C\c2ccc3ccccc3c2)cc1)N1CCOCC1 ZINC000100235590 527269077 /nfs/dbraw/zinc/26/90/77/527269077.db2.gz PVXJZQAKIXAVLO-JWGURIENSA-N 0 0 380.469 3.611 10 30 GHEERN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N=NC1C[C@@H]2CC=C[C@@H]12 ZINC000038387137 527339685 /nfs/dbraw/zinc/33/96/85/527339685.db2.gz KLANTZAZLUKKIA-XYTZGQQVSA-N 0 0 398.444 3.760 10 30 GHEERN C=CCN(C)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)Cc3sc(C)nc3[C@@H](C)[C@@H]2[C@H]1O ZINC000003840599 560190145 /nfs/dbraw/zinc/19/01/45/560190145.db2.gz GICYRZPFXPNTIT-NABXFQHVSA-N 0 0 376.566 3.785 10 30 biogenic GHEERN C[C@H](NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000329208605 834547066 /nfs/dbraw/zinc/54/70/66/834547066.db2.gz YSLMAJIBFVFOTC-BBRMVZONSA-N 0 0 390.505 3.567 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@H]3Cc3cccc(F)c3)C2)nn1 ZINC000329662395 835558559 /nfs/dbraw/zinc/55/85/59/835558559.db2.gz JCCOFTYOLZTGFN-PMACEKPBSA-N 0 0 397.498 3.514 10 30 GHEERN Cc1ccc([C@@H]2CN(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)CCO2)o1 ZINC000158854125 835568588 /nfs/dbraw/zinc/56/85/88/835568588.db2.gz YIGJSPPLMSZBTO-LPHOPBHVSA-N 0 0 399.516 3.994 10 30 GHEERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000329687154 835686156 /nfs/dbraw/zinc/68/61/56/835686156.db2.gz VBCPHRZPZDNPPR-IAGOWNOFSA-N 0 0 398.555 3.505 10 30 GHEERN CCc1nc(CCNC(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)no1 ZINC000328679382 838413619 /nfs/dbraw/zinc/41/36/19/838413619.db2.gz TZYDPFQQOARAKK-KSSFIOAISA-N 0 0 390.281 3.798 10 30 GHEERN C[C@@H](NC(=O)N1C[C@@H](C)O[C@]2(CCCOC2)C1)c1cccc(Br)c1 ZINC000330083764 839246121 /nfs/dbraw/zinc/24/61/21/839246121.db2.gz QOTXFGARVZIGKX-HBUWYVDXSA-N 0 0 397.313 3.694 10 30 GHEERN Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000330139073 839906704 /nfs/dbraw/zinc/90/67/04/839906704.db2.gz ORAKNZSEDBMHQT-USNOLKROSA-N 0 0 383.492 3.766 10 30 GHEERN CCc1nccn1[C@@H]1CCCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000106213801 840779812 /nfs/dbraw/zinc/77/98/12/840779812.db2.gz ADLMQOAGXQXRMJ-LSDHHAIUSA-N 0 0 397.548 3.531 10 30 GHEERN N#C[C@H]1CCC[C@H]1NC(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000332894493 844627327 /nfs/dbraw/zinc/62/73/27/844627327.db2.gz LCPVVQHKPSXFST-ZIAGYGMSSA-N 0 0 381.461 3.509 10 30 GHEERN Cn1ccnc1[C@@H]1CCN(C([O-])=[NH+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000328779226 841366312 /nfs/dbraw/zinc/36/63/12/841366312.db2.gz DVPCSZSMKMBWFW-CJNGLKHVSA-N 0 0 389.297 3.573 10 30 GHEERN CSc1cc2c(cc1[NH+]=C([O-])N1CCC[C@@H](n3cc(C)cn3)C1)OCCO2 ZINC000329477136 861499956 /nfs/dbraw/zinc/49/99/56/861499956.db2.gz PSQSLHGGQYCAOB-CQSZACIVSA-N 0 0 388.493 3.567 10 30 GHEERN CC(=NOCc1cc(-c2cnn(C)c2)no1)c1nc2ccccc2n1C(F)F ZINC000588483011 844923186 /nfs/dbraw/zinc/92/31/86/844923186.db2.gz ISLUTPQPQZWOMV-UHFFFAOYSA-N 0 0 386.362 3.761 10 30 GHEERN O=C(NC[C@H]1CCCN1c1cccnn1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000329560113 861667884 /nfs/dbraw/zinc/66/78/84/861667884.db2.gz MFEHSRDRJFYLLL-MRXNPFEDSA-N 0 0 375.476 3.810 10 30 GHEERN CCS[C@@H]1CCCCN(C(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C1 ZINC000329706441 862162393 /nfs/dbraw/zinc/16/23/93/862162393.db2.gz KYIMVGRAISLZPJ-OAGGEKHMSA-N 0 0 394.541 3.689 10 30 GHEERN CCn1ccnc1[C@H]1CCCCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329718359 862212420 /nfs/dbraw/zinc/21/24/20/862212420.db2.gz YRJPWJIIXKDLQB-BFYDXBDKSA-N 0 0 375.517 3.878 10 30 GHEERN CCO[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CCCC[C@H]2C(F)(F)F)C12CCOCC2 ZINC000329792231 862325442 /nfs/dbraw/zinc/32/54/42/862325442.db2.gz FIBNIGKHDRMQOL-FXUDXRNXSA-N 0 0 392.462 3.928 10 30 GHEERN Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)NC[C@H]2CCCN2c2cccnn2)cc1 ZINC000329810197 862336319 /nfs/dbraw/zinc/33/63/19/862336319.db2.gz MMADAFWDSLHKKY-DYXWJJEUSA-N 0 0 380.492 3.878 10 30 GHEERN Cc1nc(NC(=O)[C@H](C)N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)sc1C ZINC000328679896 854507218 /nfs/dbraw/zinc/50/72/18/854507218.db2.gz NIWGYEUUPHWJSE-KBARZSOFSA-N 0 0 395.488 3.731 10 30 GHEERN CC(C)[C@H](NC(=O)N1CCC(c2nccs2)CC1)c1nnc2ccccn21 ZINC000328739440 854522346 /nfs/dbraw/zinc/52/23/46/854522346.db2.gz HXUDUELVIGQGHB-INIZCTEOSA-N 0 0 384.509 3.677 10 30 GHEERN Cn1ccnc1[C@@H]1CCN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000328773235 854535455 /nfs/dbraw/zinc/53/54/55/854535455.db2.gz BMBRXYRIGDKLIG-AEFFLSMTSA-N 0 0 380.492 3.960 10 30 GHEERN CCCC(=O)N[C@@H]1CCCN(C(=O)c2sc([C@@H]3CCCOC3)nc2C)C1 ZINC000328880101 854595677 /nfs/dbraw/zinc/59/56/77/854595677.db2.gz VPKGBXLUFYIGQL-HUUCEWRRSA-N 0 0 379.526 3.707 10 30 GHEERN Cc1noc([C@H](NC(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)C2CCOCC2)n1 ZINC000328968794 854636553 /nfs/dbraw/zinc/63/65/53/854636553.db2.gz ANKJYXJNGVFLQY-UPRAQXHNSA-N 0 0 384.480 3.988 10 30 GHEERN N#CCOc1ccccc1C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219185 857016221 /nfs/dbraw/zinc/01/62/21/857016221.db2.gz KUPMSDKLLAXYJT-SFHVURJKSA-N 0 0 386.455 3.999 10 30 GHEERN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@@H]3CCCOc4ccc(F)cc43)C2)no1 ZINC000329185933 861115667 /nfs/dbraw/zinc/11/56/67/861115667.db2.gz OUOFQFKOWHKKMR-WMLDXEAASA-N 0 0 388.443 3.600 10 30 GHEERN Cn1cc([C@H]2CN(C(=O)N[C@@H]3CCC[C@@H](C(C)(C)C)CC3)C[C@@H]2C(N)=O)cn1 ZINC000329198183 861127773 /nfs/dbraw/zinc/12/77/73/861127773.db2.gz UOBQSIVRHREEAD-TVFCKZIOSA-N 0 0 389.544 3.880 10 30 GHEERN C#CCOc1ccc([C@H](C)N[C@@H](c2nccn2C)c2ccc(OC)cc2)cc1 ZINC000129075259 887256467 /nfs/dbraw/zinc/25/64/67/887256467.db2.gz XDZGEOALKHCPTA-HTAPYJJXSA-N 0 0 375.472 3.881 10 30 GHEERN N#CCCN(C(=O)CCC(=O)N1CCC[C@H](c2nccs2)C1)c1ccccc1 ZINC000068355289 891176959 /nfs/dbraw/zinc/17/69/59/891176959.db2.gz CGIOVPVLJDQDTE-KRWDZBQOSA-N 0 0 396.516 3.576 10 30 GHEERN COc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)CCC(=O)[C@H]2CCC#N ZINC000048522839 903732333 /nfs/dbraw/zinc/73/23/33/903732333.db2.gz RRWZOOILDRDRHS-IBGZPJMESA-N 0 0 398.484 3.559 10 30 GHEERN Cc1nc([C@@H]2CCCN2C(=O)CCCC(=O)Nc2ccccc2C#N)cs1 ZINC000190013424 908402032 /nfs/dbraw/zinc/40/20/32/908402032.db2.gz XCXTUHZIYAOXMQ-SFHVURJKSA-N 0 0 382.489 3.796 10 30 GHEERN COC(=O)c1cccc2oc(-c3cccc4c3NC(=C3C=CC=CC3=O)O4)nc21 ZINC000100303728 203782725 /nfs/dbraw/zinc/78/27/25/203782725.db2.gz KHQWPXPNDALATG-UDWIEESQSA-N 0 0 386.363 3.992 10 30 in-vitro GHEERN CCN(c1ccc(/N=C2\C=C(C(=O)NC)C(=O)c3ccccc32)cc1)C(C)C ZINC000055167567 521480048 /nfs/dbraw/zinc/48/00/48/521480048.db2.gz KYERSSZDQCEYSS-NJNXFGOHSA-N 0 0 375.472 3.911 10 30 GHEERN COc1cc(OC)cc(C(=O)/C=C2/SCC(=O)N2Cc2ccc(C)cc2)c1 ZINC000105725846 522841537 /nfs/dbraw/zinc/84/15/37/522841537.db2.gz NKRXMYOYBOAODL-SRZZPIQSSA-N 0 0 383.469 3.812 10 30 GHEERN COc1ccc(-c2nnc(S/C(=N\Nc3ccccc3C)C(C)=O)n2C)cc1 ZINC000102659887 523257961 /nfs/dbraw/zinc/25/79/61/523257961.db2.gz BURIFMLEAANIRS-NMWGTECJSA-N 0 0 395.488 3.906 10 30 GHEERN O=[N+]([O-])c1cc(/C=N/n2cnnc2)ccc1Sc1cccc2ncccc21 ZINC000059500154 527326928 /nfs/dbraw/zinc/32/69/28/527326928.db2.gz AOWWOZKPQIIPSQ-LSHDLFTRSA-N 0 0 376.401 3.768 10 30 GHEERN O=C(NC[C@@H]1CCCC[C@@H]1O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000329219016 834567382 /nfs/dbraw/zinc/56/73/82/834567382.db2.gz SESUFOHKBNUTAC-LRDDRELGSA-N 0 0 380.282 3.557 10 30 GHEERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1ccc(OC2CCCC2)nc1 ZINC000329324014 834847922 /nfs/dbraw/zinc/84/79/22/834847922.db2.gz VIIVOPPCBZMESQ-KRWDZBQOSA-N 0 0 386.473 3.626 10 30 GHEERN O=C(NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)NC[C@@H]1CCC[C@@H]1O ZINC000329847649 834894278 /nfs/dbraw/zinc/89/42/78/834894278.db2.gz MZIWMJLTCKNRPR-RYRKJORJSA-N 0 0 385.533 3.580 10 30 GHEERN COCc1cccc2sc(=NC(=O)N3CCC[C@@H](n4cc(C)cn4)C3)[nH]c21 ZINC000329359848 834901215 /nfs/dbraw/zinc/90/12/15/834901215.db2.gz HXROFVPCYCIYLH-OAHLLOKOSA-N 0 0 385.493 3.830 10 30 GHEERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1 ZINC000329647563 835521622 /nfs/dbraw/zinc/52/16/22/835521622.db2.gz BJLPDGMWMCJETE-WMZOPIPTSA-N 0 0 397.523 3.873 10 30 GHEERN Cc1ccc(C(C)(C)CNC(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)cc1 ZINC000329687858 835691595 /nfs/dbraw/zinc/69/15/95/835691595.db2.gz VHQFBRHTRUNBOH-IBGZPJMESA-N 0 0 381.524 3.544 10 30 GHEERN Cn1cc(N2CCC[C@@H](NC(=O)C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)C2=O)cn1 ZINC000329741245 835841102 /nfs/dbraw/zinc/84/11/02/835841102.db2.gz VWFSZNMHTZUTJI-QSGFZRRESA-N 0 0 384.524 3.869 10 30 GHEERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000329967362 836465689 /nfs/dbraw/zinc/46/56/89/836465689.db2.gz WDRPRDAABMJWSW-SFHVURJKSA-N 0 0 381.480 3.821 10 30 GHEERN O=C(NC[C@@H]1CCCC[C@@H]1O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1 ZINC000330132339 839751606 /nfs/dbraw/zinc/75/16/06/839751606.db2.gz LJFYFGPGWGBCEO-HSCHXYMDSA-N 0 0 387.455 3.597 10 30 GHEERN C[C@@H](C#N)CSc1ccccc1NC(=O)NC1CCN(c2ncccn2)CC1 ZINC000108530200 840213509 /nfs/dbraw/zinc/21/35/09/840213509.db2.gz FULRVZMNYWNLLF-HNNXBMFYSA-N 0 0 396.520 3.519 10 30 GHEERN Cn1cc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c(C2CCCCC2)n1 ZINC000328770356 841191871 /nfs/dbraw/zinc/19/18/71/841191871.db2.gz QZBAELUTCJCWQG-KRWDZBQOSA-N 0 0 387.505 3.691 10 30 GHEERN COC[C@@H]1CN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CC(C)(C)O1 ZINC000329304933 861267529 /nfs/dbraw/zinc/26/75/29/861267529.db2.gz XJZCJAIOEVUNDX-WMZOPIPTSA-N 0 0 388.508 3.863 10 30 GHEERN O=C(Nc1nnc2n1CCCC2)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000328833899 842395907 /nfs/dbraw/zinc/39/59/07/842395907.db2.gz RXUSPGAPLXKOBL-KDOFPFPSSA-N 0 0 387.281 3.869 10 30 GHEERN Cc1ccc(N(C)C2CCN(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)nn1 ZINC000329344754 861308725 /nfs/dbraw/zinc/30/87/25/861308725.db2.gz UIYZRSYUXPGCMH-IPMKNSEASA-N 0 0 385.556 3.959 10 30 GHEERN Cc1ccc(N2CCC[C@@H](NC(=O)N(C)Cc3c(F)cccc3Cl)C2)nn1 ZINC000329564571 861670906 /nfs/dbraw/zinc/67/09/06/861670906.db2.gz GZWQFYHQJHBKID-CQSZACIVSA-N 0 0 391.878 3.592 10 30 GHEERN COc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000329046966 846988757 /nfs/dbraw/zinc/98/87/57/846988757.db2.gz QCVHPFZNIFEOJA-OAQYLSRUSA-N 0 0 399.535 3.854 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)C2)nn1 ZINC000329641827 861892198 /nfs/dbraw/zinc/89/21/98/861892198.db2.gz ZXQZCXMAEBVRSN-HIFRSBDPSA-N 0 0 397.504 3.841 10 30 GHEERN CCc1nccn1[C@H]1CCCN(C([O-])=[NH+]c2ccc3c(c2)OC(F)(F)O3)C1 ZINC000329663489 861970548 /nfs/dbraw/zinc/97/05/48/861970548.db2.gz JKWHDWXUUKWDGL-ZDUSSCGKSA-N 0 0 378.379 3.650 10 30 GHEERN Cc1noc([C@H]2CCCN(C(=O)N[C@H]3CCCO[C@H]3c3ccc(C)cc3)C2)n1 ZINC000329889468 862400295 /nfs/dbraw/zinc/40/02/95/862400295.db2.gz DPFACUNEZMWYKW-FHWLQOOXSA-N 0 0 384.480 3.700 10 30 GHEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cc(Br)sc1Br ZINC000225119274 853329276 /nfs/dbraw/zinc/32/92/76/853329276.db2.gz IGNNWDJPPGQCMA-POYBYMJQSA-N 0 0 378.089 3.695 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@]13CCC(=O)N1c1ccccc1S3)CCC2 ZINC000328644176 854487861 /nfs/dbraw/zinc/48/78/61/854487861.db2.gz AMGJLUIVUSLBPB-VBKZILBWSA-N 0 0 382.489 3.654 10 30 GHEERN O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000328663966 854495820 /nfs/dbraw/zinc/49/58/20/854495820.db2.gz YGMXVJAREMKBKF-UHOFOFEASA-N 0 0 394.397 3.805 10 30 GHEERN C[C@@H]1CN([C@H](CNC(=O)C[C@@H]2CCCCC(=O)N2)c2cccs2)CCO1 ZINC000328673866 854499185 /nfs/dbraw/zinc/49/91/85/854499185.db2.gz PNLCEKKBFIZERX-OWCLPIDISA-N 0 0 379.526 3.756 10 30 GHEERN C[C@H](NC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1cccc(N2CCCC2)c1 ZINC000328600971 854501097 /nfs/dbraw/zinc/50/10/97/854501097.db2.gz DRUQQOKXADBIIK-SXLOBPIMSA-N 0 0 398.551 3.643 10 30 GHEERN C[C@H](C(=O)Nc1ccccc1Br)N1CCC[C@@H](n2cccn2)C1 ZINC000328687548 854509588 /nfs/dbraw/zinc/50/95/88/854509588.db2.gz HCSLVWONPSEZFJ-ZIAGYGMSSA-N 0 0 377.286 3.959 10 30 GHEERN CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000192947890 855847756 /nfs/dbraw/zinc/84/77/56/855847756.db2.gz MDIVCSYCCZYCNF-DZGCQCFKSA-N 0 0 381.398 3.664 10 30 GHEERN N#Cc1cccc(OCCCCC(=O)N2CCC(Cc3ccccn3)CC2)c1 ZINC000171819914 856274437 /nfs/dbraw/zinc/27/44/37/856274437.db2.gz ACCGGERGPIXTNA-UHFFFAOYSA-N 0 0 377.488 3.984 10 30 GHEERN CC(C)c1noc([C@H](NC(=O)N[C@@H](C)c2cccs2)C2CCOCC2)n1 ZINC000330328614 862911952 /nfs/dbraw/zinc/91/19/52/862911952.db2.gz LVXLUOJDCIRFJD-SWLSCSKDSA-N 0 0 378.498 3.987 10 30 GHEERN N#C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(Br)c1 ZINC000102639608 860494604 /nfs/dbraw/zinc/49/46/04/860494604.db2.gz MHFVPCZMCANUEH-MRXNPFEDSA-N 0 0 399.204 3.833 10 30 GHEERN CC(C)n1cc([C@@H]2CN(C(=O)N[C@H]3CCC(C)(C)C[C@H]3C)C[C@H]2CO)cn1 ZINC000329052078 860978458 /nfs/dbraw/zinc/97/84/58/860978458.db2.gz LDCJJLNNDDQTNL-BVBHFADKSA-N 0 0 376.545 3.601 10 30 GHEERN CC1(C)C[C@H](NC(=O)N[C@H]2CCO[C@@H]2c2cccnc2)c2ccc(F)cc2O1 ZINC000329090566 861008704 /nfs/dbraw/zinc/00/87/04/861008704.db2.gz WOSVZRYBYYLFCE-JENIJYKNSA-N 0 0 385.439 3.857 10 30 GHEERN Cc1noc([C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)C2CCOCC2)n1 ZINC000329133088 861054455 /nfs/dbraw/zinc/05/44/55/861054455.db2.gz PKYROPODPVPYPF-BFYDXBDKSA-N 0 0 377.391 3.884 10 30 GHEERN N#Cc1cccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000101839290 866035956 /nfs/dbraw/zinc/03/59/56/866035956.db2.gz CMFLVKQYOCYZEX-RUDMXATFSA-N 0 0 377.419 3.588 10 30 GHEERN C#Cc1cccc(N(Cc2ccco2)C(=O)C2CCN(c3cnccn3)CC2)c1 ZINC000170846514 882061258 /nfs/dbraw/zinc/06/12/58/882061258.db2.gz LCDKLMWCKBECKH-UHFFFAOYSA-N 0 0 386.455 3.501 10 30 GHEERN N#CCOc1ccc(/C=C/C(=O)N[C@@H](c2nccs2)c2ccccc2)cc1 ZINC000171497566 882135026 /nfs/dbraw/zinc/13/50/26/882135026.db2.gz XUGMTQCCBSPTDW-OJLWIZQOSA-N 0 0 375.453 3.964 10 30 GHEERN Cc1ccc([C@@H]2CN(Cc3cn(CCC#N)nc3-c3ccccc3)CCO2)o1 ZINC000093864647 882621901 /nfs/dbraw/zinc/62/19/01/882621901.db2.gz QMFRHTTWVMRWMQ-NRFANRHFSA-N 0 0 376.460 3.939 10 30 GHEERN COc1ccccc1CC1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000102410500 882784665 /nfs/dbraw/zinc/78/46/65/882784665.db2.gz VJJKAKBRUBXNHM-KRWDZBQOSA-N 0 0 377.488 3.849 10 30 GHEERN COc1cc(/C=C/C(=O)N2CC[C@H](c3c(F)cccc3F)C2)ccc1OCC#N ZINC000184912427 883403352 /nfs/dbraw/zinc/40/33/52/883403352.db2.gz DJWVJANFFNPZPI-BVBGJJFLSA-N 0 0 398.409 3.905 10 30 GHEERN CCSc1ccc([C@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 ZINC000103518046 885033270 /nfs/dbraw/zinc/03/32/70/885033270.db2.gz JOTSZFDTLGPTON-INIZCTEOSA-N 0 0 395.532 3.658 10 30 GHEERN C=CCn1c(Cc2ccccc2)nnc1SCc1nc(-c2ccoc2)no1 ZINC000105573397 891243802 /nfs/dbraw/zinc/24/38/02/891243802.db2.gz JJUPFBAGYQEDIH-UHFFFAOYSA-N 0 0 379.445 3.990 10 30 GHEERN C=CCC[C@H](O)CN(Cc1ccco1)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000036206995 518725735 /nfs/dbraw/zinc/72/57/35/518725735.db2.gz GAMPFORYHGAPGF-HNNXBMFYSA-N 0 0 387.505 3.524 10 30 GHEERN C=CCn1c(C(=O)NCc2cccnc2)cc2scc(Br)c21 ZINC000037542254 519166961 /nfs/dbraw/zinc/16/69/61/519166961.db2.gz ACNZCCZGEPURQV-UHFFFAOYSA-N 0 0 376.279 3.976 10 30 GHEERN COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000102532079 524105182 /nfs/dbraw/zinc/10/51/82/524105182.db2.gz NOOQLZDJJVOQJU-GOBJLOIFSA-N 0 0 389.407 3.910 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@H]3c3ccc(F)cc3)C2)nn1 ZINC000329554950 835234422 /nfs/dbraw/zinc/23/44/22/835234422.db2.gz DPBBMTJTMQMRPM-OALUTQOASA-N 0 0 383.471 3.644 10 30 GHEERN C[C@H](CNC(=O)/C=C/c1ccc(OCC#N)cc1)c1nc(-c2ccccc2)no1 ZINC000158258252 835288222 /nfs/dbraw/zinc/28/82/22/835288222.db2.gz PPUQINJNUUBDSF-ONOODXEBSA-N 0 0 388.427 3.572 10 30 GHEERN Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)on1 ZINC000329896236 835300352 /nfs/dbraw/zinc/30/03/52/835300352.db2.gz CKEYBXSGNYSBSV-FWJAZRMLSA-N 0 0 399.466 3.592 10 30 GHEERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@@H](c3ccc(C)cc3)C3CC3)C2)n1 ZINC000329680537 835669388 /nfs/dbraw/zinc/66/93/88/835669388.db2.gz XWTIIXCALDPBAU-NQIIRXRSSA-N 0 0 381.524 3.981 10 30 GHEERN N#Cc1ccc(N2CCC[C@@H]2c2nnc3n2CCCCC3)c(Br)c1 ZINC000134576219 835846108 /nfs/dbraw/zinc/84/61/08/835846108.db2.gz PESFAFDRKVAGGM-MRXNPFEDSA-N 0 0 386.297 3.980 10 30 GHEERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)Cn1c2ccccc2c(=O)[nH]c1=O ZINC000328639377 836515621 /nfs/dbraw/zinc/51/56/21/836515621.db2.gz CBJQOBQKLCPTAY-IBGZPJMESA-N 0 0 377.444 3.772 10 30 GHEERN C[C@H]1CN(Cc2csc(NC(=O)N3CC[C@@H](C)C[C@H](C)C3)n2)C[C@H](C)O1 ZINC000328655513 836549730 /nfs/dbraw/zinc/54/97/30/836549730.db2.gz MYDBOBSVSGURFK-UGUYLWEFSA-N 0 0 380.558 3.666 10 30 GHEERN C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000329305908 861267315 /nfs/dbraw/zinc/26/73/15/861267315.db2.gz XSBOTLPHWVSEQD-HBFSDRIKSA-N 0 0 399.535 3.532 10 30 GHEERN O=C(Nc1nnc2n1CCCC2)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000328833898 842396193 /nfs/dbraw/zinc/39/61/93/842396193.db2.gz RXUSPGAPLXKOBL-KBXCAEBGSA-N 0 0 387.281 3.869 10 30 GHEERN Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)N3CC[C@H]4CCC[C@@H]43)cs2)c1 ZINC000330291379 843531989 /nfs/dbraw/zinc/53/19/89/843531989.db2.gz CTBPMJIRVYAWKG-CJNGLKHVSA-N 0 0 385.489 3.737 10 30 GHEERN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC[C@H](C)c4cccc(O)c43)C2)n1 ZINC000408269799 843684900 /nfs/dbraw/zinc/68/49/00/843684900.db2.gz SXVUBXXQMUWWAK-MAUKXSAKSA-N 0 0 390.487 3.724 10 30 GHEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190394214 847527071 /nfs/dbraw/zinc/52/70/71/847527071.db2.gz XSVOFNNMILJZLU-SFHVURJKSA-N 0 0 384.505 3.521 10 30 GHEERN Cc1csc(C2CCN(S(=O)(=O)c3cc(C#N)ccc3Cl)CC2)n1 ZINC000184345113 852217773 /nfs/dbraw/zinc/21/77/73/852217773.db2.gz PTERHPCDDZSDKA-UHFFFAOYSA-N 0 0 381.910 3.545 10 30 GHEERN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)N2C[C@@H]3CCC[C@H]32)c1 ZINC000329941677 862442510 /nfs/dbraw/zinc/44/25/10/862442510.db2.gz VEKMSMWDPDNTKZ-HNAYVOBHSA-N 0 0 385.489 3.542 10 30 GHEERN CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)c1cnn(C2CCCCC2)c1C ZINC000329975769 862472360 /nfs/dbraw/zinc/47/23/60/862472360.db2.gz ZZDHDJWHDBRMSJ-OXJNMPFZSA-N 0 0 385.512 3.996 10 30 GHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000328684536 854508360 /nfs/dbraw/zinc/50/83/60/854508360.db2.gz FCNDLQOININDBV-GDBMZVCRSA-N 0 0 377.510 3.685 10 30 GHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000328694631 854511826 /nfs/dbraw/zinc/51/18/26/854511826.db2.gz KBHLTAATGSARPN-LSDHHAIUSA-N 0 0 375.856 3.691 10 30 GHEERN Cc1cc(C)n(-c2ccc(CCNC(=O)N[C@H]3CCC(=O)NC34CCC4)cc2)n1 ZINC000328743159 854524280 /nfs/dbraw/zinc/52/42/80/854524280.db2.gz NFSRZIAWCDDAFG-IBGZPJMESA-N 0 0 395.507 3.577 10 30 GHEERN COCCn1cc2c(n1)[C@H](NC(=O)[C@@H]1C[C@]13CCOc1ccccc13)CCC2 ZINC000328806589 854543487 /nfs/dbraw/zinc/54/34/87/854543487.db2.gz NLQKPHNWSIKZOT-SVMVAKDDSA-N 0 0 381.476 3.604 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O)CCC2 ZINC000328803410 854562794 /nfs/dbraw/zinc/56/27/94/854562794.db2.gz LGZJBMBZFPHNHV-AZUAARDMSA-N 0 0 380.492 3.779 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1)CCC2 ZINC000328839680 854570256 /nfs/dbraw/zinc/57/02/56/854570256.db2.gz UIOPQSRYCFMMDA-RBUKOAKNSA-N 0 0 380.492 3.525 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CCCCN1C(=O)c1cccs1)CCC2 ZINC000328853081 854578033 /nfs/dbraw/zinc/57/80/33/854578033.db2.gz XDEOZVLJVKDJJT-HOTGVXAUSA-N 0 0 386.521 3.782 10 30 GHEERN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N[C@@H]3CCC(=O)N[C@@H]3C3CC3)C2)nc1 ZINC000328892623 854599815 /nfs/dbraw/zinc/59/98/15/854599815.db2.gz TYZCNEBDMAZZEN-GPMSIDNRSA-N 0 0 399.495 3.502 10 30 GHEERN CC(C)c1nnc2n1CCN(C(=O)N[C@H]1CC3(CCCC3)Oc3ccccc31)C2 ZINC000330120989 862592737 /nfs/dbraw/zinc/59/27/37/862592737.db2.gz GPUOXCLKUIGNKB-KRWDZBQOSA-N 0 0 395.507 3.968 10 30 GHEERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1CCn2c(nnc2C2CC2)C1 ZINC000330152052 862619682 /nfs/dbraw/zinc/61/96/82/862619682.db2.gz WMMRNSZBDKTRNA-KRWDZBQOSA-N 0 0 393.491 3.722 10 30 GHEERN COc1ccc(CC2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)cc1 ZINC000105721941 855136703 /nfs/dbraw/zinc/13/67/03/855136703.db2.gz OAANAOQGAWSENF-UHFFFAOYSA-N 0 0 381.451 3.870 10 30 GHEERN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000330219831 862671108 /nfs/dbraw/zinc/67/11/08/862671108.db2.gz PULBJULZQWGVJY-JKBKZWBZSA-N 0 0 390.549 3.773 10 30 GHEERN N#Cc1cccnc1N1CCCN(C(=O)c2cc(Cl)cc3cccnc32)CC1 ZINC000055743071 855385116 /nfs/dbraw/zinc/38/51/16/855385116.db2.gz VNJZHXUUHVESHX-UHFFFAOYSA-N 0 0 391.862 3.507 10 30 GHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000330328304 862909770 /nfs/dbraw/zinc/90/97/70/862909770.db2.gz LOUSRVDUWOGTMY-MBOZVWFJSA-N 0 0 383.496 3.843 10 30 GHEERN C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329057126 860981992 /nfs/dbraw/zinc/98/19/92/860981992.db2.gz SWLDYLXIHJEYOZ-ZFWWWQNUSA-N 0 0 398.463 3.574 10 30 GHEERN Cn1nccc1[C@H]1[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)CC(=O)N1C1CC1 ZINC000329095634 861013474 /nfs/dbraw/zinc/01/34/74/861013474.db2.gz KYCJMCIUBWNDNO-FJRPPFRQSA-N 0 0 384.524 3.788 10 30 GHEERN O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000329097429 861014801 /nfs/dbraw/zinc/01/48/01/861014801.db2.gz CFLWNLCFPKKFNR-WZRUWQJFSA-N 0 0 395.459 3.864 10 30 GHEERN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000329162336 861090168 /nfs/dbraw/zinc/09/01/68/861090168.db2.gz ZOVOJVGSDLIIAU-XMCHAPAWSA-N 0 0 382.508 3.963 10 30 GHEERN COc1cc(OC)c([C@H](C)Nc2cnn(-c3ncccc3C#N)c2)cc1Cl ZINC000186026222 864095260 /nfs/dbraw/zinc/09/52/60/864095260.db2.gz ZMOIIVXBGFWMKI-LBPRGKRZSA-N 0 0 383.839 3.983 10 30 GHEERN COc1ccccc1CC1CCN([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000102410502 882784407 /nfs/dbraw/zinc/78/44/07/882784407.db2.gz VJJKAKBRUBXNHM-QGZVFWFLSA-N 0 0 377.488 3.849 10 30 GHEERN COc1cc(/C=C/C(=O)Nc2ccnn2-c2cccc(F)c2)ccc1OCC#N ZINC000183902678 883309191 /nfs/dbraw/zinc/30/91/91/883309191.db2.gz PEKPKDYTCDWAJM-SOFGYWHQSA-N 0 0 392.390 3.574 10 30 GHEERN C=C(C)[C@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccc(F)c(F)c1 ZINC000184854509 883386398 /nfs/dbraw/zinc/38/63/98/883386398.db2.gz JJUIPUGWJASPDK-FQEVSTJZSA-N 0 0 399.441 3.646 10 30 GHEERN CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000193053403 884324120 /nfs/dbraw/zinc/32/41/20/884324120.db2.gz ZIJRWRHXOMCWAA-INIZCTEOSA-N 0 0 388.475 3.942 10 30 GHEERN COc1cc(/C=C/C(=O)Nc2nnc(-c3ccsc3)s2)ccc1OCC#N ZINC000072001638 891237604 /nfs/dbraw/zinc/23/76/04/891237604.db2.gz IPKZPQVKTMHFHV-HWKANZROSA-N 0 0 398.469 3.829 10 30 GHEERN CCOP(=O)(OCC)O/N=C1/C[C@H](C)S(=O)(=O)c2ccc(Cl)cc21 ZINC000033380773 520243176 /nfs/dbraw/zinc/24/31/76/520243176.db2.gz QMLIXMCZFLCWKR-VQZCRYCJSA-N 0 0 395.801 3.808 10 30 GHEERN CCOc1cc(C=C2SC(=NC)C(NCc3ccc(C)cc3)=C2O)ccc1O ZINC000020353428 520632095 /nfs/dbraw/zinc/63/20/95/520632095.db2.gz YTVWRNWKUPVGPO-PLLTXZGXSA-N 0 0 396.512 3.943 10 30 GHEERN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N=NC1C[C@@H]2CC=C[C@H]12 ZINC000033621597 527339183 /nfs/dbraw/zinc/33/91/83/527339183.db2.gz KLANTZAZLUKKIA-WPAXKGDPSA-N 0 0 398.444 3.760 10 30 GHEERN Cc1ccc(-n2cc3c(n2)N(C(=O)OC(C)(C)C)CC/C(=C\N(C)C)C3=O)cc1 ZINC000045796121 570649119 /nfs/dbraw/zinc/64/91/19/570649119.db2.gz WGNAVCLQCPNEJE-DTQAZKPQSA-N 0 0 396.491 3.954 10 30 GHEERN Cc1sc2nc(CS[C@H](C)C(=O)N[C@@H]3CCCNC3=O)[nH]c(=O)c2c1C ZINC000329342354 834872850 /nfs/dbraw/zinc/87/28/50/834872850.db2.gz BWBLCPQQLIQVIZ-GHMZBOCLSA-N 0 0 394.522 3.711 10 30 GHEERN Cc1ccc(CN(C(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)C(C)C)s1 ZINC000329627685 835454222 /nfs/dbraw/zinc/45/42/22/835454222.db2.gz VQGJZEJXKNGAMH-QGZVFWFLSA-N 0 0 387.553 3.948 10 30 GHEERN COCCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cn1 ZINC000329265233 861220563 /nfs/dbraw/zinc/22/05/63/861220563.db2.gz HAFOMHLCQJAAFW-PRHYDEJPSA-N 0 0 375.513 3.923 10 30 GHEERN CC(C)c1nc2c(n1C)CCN(C([O-])=[NH+][C@H](C)CCc1ccc3c(c1)OCO3)C2 ZINC000329289997 861249341 /nfs/dbraw/zinc/24/93/41/861249341.db2.gz QGKFPCAKQGOOJJ-OAHLLOKOSA-N 0 0 398.507 3.566 10 30 GHEERN O=C(NC[C@@H]1CCCSC1)N1CCOC[C@@H]1c1nc2ccccc2s1 ZINC000329350693 861314431 /nfs/dbraw/zinc/31/44/31/861314431.db2.gz TVDGRQYWEDCKJU-DZGCQCFKSA-N 0 0 377.535 3.727 10 30 GHEERN CCc1ccc(NC(=O)[C@H](C#N)C(=O)C(C)=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000588447709 843126258 /nfs/dbraw/zinc/12/62/58/843126258.db2.gz TVFMONTWDGIEIW-LUQQZNFBSA-N 0 0 377.400 3.908 10 30 GHEERN CC(=O)N1C[C@H](CCC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)c2ccccc21 ZINC000329610320 861770817 /nfs/dbraw/zinc/77/08/17/861770817.db2.gz JHEYUDHRCGZJPM-OALUTQOASA-N 0 0 397.519 3.522 10 30 GHEERN Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000329633500 861853324 /nfs/dbraw/zinc/85/33/24/861853324.db2.gz SLPQXRQYKJDREP-DYXWJJEUSA-N 0 0 380.492 3.878 10 30 GHEERN Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC(c4ccccc4)CC3)C2)nn1 ZINC000329674596 862007054 /nfs/dbraw/zinc/00/70/54/862007054.db2.gz OPNKXEUEHNGOEK-HXUWFJFHSA-N 0 0 379.508 3.547 10 30 GHEERN O=C(N[C@H]1CCN(c2ccccc2)C1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000329131460 849767877 /nfs/dbraw/zinc/76/78/77/849767877.db2.gz AERPMFOEYSOOHT-FUHWJXTLSA-N 0 0 383.517 3.978 10 30 GHEERN CCO[C@@H]1C[C@H](N(C)C(=O)NCc2nnc(C(C)(C)C)s2)C12CCCC2 ZINC000329878946 862392627 /nfs/dbraw/zinc/39/26/27/862392627.db2.gz LOKMARXCDQFWKW-UONOGXRCSA-N 0 0 380.558 3.919 10 30 GHEERN Cc1nn(C)c(-n2ccnc2C)c1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000330010299 862503159 /nfs/dbraw/zinc/50/31/59/862503159.db2.gz HZNVJIAHEREBJS-INIZCTEOSA-N 0 0 379.464 3.830 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCO[C@@H](c3ccccc3Cl)C1)CCC2 ZINC000328660092 854493269 /nfs/dbraw/zinc/49/32/69/854493269.db2.gz UUQWJBRFXVQDJC-MAUKXSAKSA-N 0 0 388.899 3.710 10 30 GHEERN CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000328723601 854504027 /nfs/dbraw/zinc/50/40/27/854504027.db2.gz ANZBYJNPGRTYRQ-TWMKSMIVSA-N 0 0 377.529 3.715 10 30 GHEERN O=C(Nc1ccccc1)N1CCC(C(=O)N2CCC(c3nccs3)CC2)CC1 ZINC000328749207 854526949 /nfs/dbraw/zinc/52/69/49/854526949.db2.gz MFLXDOOHYODLPN-UHFFFAOYSA-N 0 0 398.532 3.807 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCO[C@H](c3ccc(F)c(C)c3)C1)CCC2 ZINC000328908037 854618679 /nfs/dbraw/zinc/61/86/79/854618679.db2.gz COGRXNMUQHBAEJ-HKUYNNGSSA-N 0 0 386.471 3.504 10 30 GHEERN Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC(=O)N1C ZINC000330125675 862595804 /nfs/dbraw/zinc/59/58/04/862595804.db2.gz IMAKPUBSGQIHIM-AAWZQNATSA-N 0 0 386.540 3.872 10 30 GHEERN CCCN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000045404550 854869641 /nfs/dbraw/zinc/86/96/41/854869641.db2.gz XHVADXFUXGHJFL-LJQANCHMSA-N 0 0 379.485 3.800 10 30 GHEERN N#Cc1cccc(CS(=O)(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000122959971 855058077 /nfs/dbraw/zinc/05/80/77/855058077.db2.gz UOTGQPVSZAJKFA-LJQANCHMSA-N 0 0 382.485 3.814 10 30 GHEERN Cc1cccc(NC(=O)N2CCC(C(=O)N(C)Cc3cccc(C#N)c3)CC2)c1 ZINC000056766752 855655075 /nfs/dbraw/zinc/65/50/75/855655075.db2.gz XHTZQQPFYCKQGY-UHFFFAOYSA-N 0 0 390.487 3.769 10 30 GHEERN C=CCN(Cc1nnc(-c2ccccc2OC)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000159749850 862986183 /nfs/dbraw/zinc/98/61/83/862986183.db2.gz WHOJTVXYDQKCRN-UHFFFAOYSA-N 0 0 380.404 3.842 10 30 GHEERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)cn1 ZINC000329038765 860966884 /nfs/dbraw/zinc/96/68/84/860966884.db2.gz NRSKJSGRIVSYOP-XBDGOBDMSA-N 0 0 380.444 3.617 10 30 GHEERN C[C@@H]1CC[C@H](NC(=O)N2CCN(C)[C@H](c3nc(C4CC4)no3)C2)c2ccccc21 ZINC000329080122 861001872 /nfs/dbraw/zinc/00/18/72/861001872.db2.gz RFEMSQCJPYOBHG-CCKFTAQKSA-N 0 0 395.507 3.788 10 30 GHEERN CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CCC(OCC3CCCC3)CC2)cc1 ZINC000176048402 882661899 /nfs/dbraw/zinc/66/18/99/882661899.db2.gz PJKIDRPYTQIOLA-UHFFFAOYSA-N 0 0 397.519 3.624 10 30 GHEERN C[C@@H](C#N)Oc1ccccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000182079055 883201888 /nfs/dbraw/zinc/20/18/88/883201888.db2.gz KOBYMQJHIMRVTR-AWEZNQCLSA-N 0 0 383.473 3.530 10 30 GHEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000063250572 883892611 /nfs/dbraw/zinc/89/26/11/883892611.db2.gz NJPAZRLDEAKLMN-GOSISDBHSA-N 0 0 397.456 3.613 10 30 GHEERN COc1cc(/C=C/C(=O)N[C@H]2CCOc3c(C)cccc32)ccc1OCC#N ZINC000190617713 884103701 /nfs/dbraw/zinc/10/37/01/884103701.db2.gz MKJDRBOLZMHUCY-KOEDOTQGSA-N 0 0 378.428 3.559 10 30 GHEERN N#Cc1cc(NC(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)ccc1F ZINC000102955772 884653226 /nfs/dbraw/zinc/65/32/26/884653226.db2.gz FBOFDGYQDZSIDD-UHFFFAOYSA-N 0 0 392.434 3.531 10 30 GHEERN C=CCNC(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccncc2)cc1 ZINC000103315761 885989765 /nfs/dbraw/zinc/98/97/65/885989765.db2.gz DOYDBXUPAMXSBE-OAQYLSRUSA-N 0 0 386.455 3.909 10 30 GHEERN CN1CC[C@@H](NC(=O)c2cccc(SCC#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127769471 887098002 /nfs/dbraw/zinc/09/80/02/887098002.db2.gz UFHBXOKUYMZAOR-MOPGFXCFSA-N 0 0 387.455 3.756 10 30 GHEERN COc1cc(/C=C/C(=O)N[C@@H](c2ccccc2)c2ccncc2)ccc1OCC#N ZINC000060643499 888477355 /nfs/dbraw/zinc/47/73/55/888477355.db2.gz VSXNMBJRXHGQBM-DRBUTMMVSA-N 0 0 399.450 3.912 10 30 GHEERN C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CCOCC2(CC2)C1 ZINC000333207376 900036732 /nfs/dbraw/zinc/03/67/32/900036732.db2.gz JGWMCSUDFOUXEK-VQTJNVASSA-N 0 0 394.519 3.716 10 30 GHEERN COc1nc(C)c(Br)cc1-c1noc([C@]2(C#N)CC23CCCC3)n1 ZINC000333856499 902374052 /nfs/dbraw/zinc/37/40/52/902374052.db2.gz QPFSGMFHCNLQLU-QGZVFWFLSA-N 0 0 389.253 3.937 10 30 GHEERN CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(c1c(C#N)cccc1C#N)CC2 ZINC000368938895 922992127 /nfs/dbraw/zinc/99/21/27/922992127.db2.gz PNIOUGGJCAAVLV-HXUWFJFHSA-N 0 0 390.512 3.899 10 30 GHEERN C=CCc1cc(CN=Nc2nc(C)cc(COC)c2C#N)cc(OC)c1OCC ZINC000006712321 519125642 /nfs/dbraw/zinc/12/56/42/519125642.db2.gz LWLRZISKKGZLIS-ZMOGYAJESA-N 0 0 394.475 3.990 10 30 GHEERN O=S(=O)(c1ccc(/N=C\c2ccccc2O)cc1)N1CCc2ccccc21 ZINC000100236987 527269402 /nfs/dbraw/zinc/26/94/02/527269402.db2.gz XRRQFZJELBESDH-JCMHNJIXSA-N 0 0 378.453 3.894 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@H]3c3ccccc3C)C2)nn1 ZINC000329549798 835224634 /nfs/dbraw/zinc/22/46/34/835224634.db2.gz CNHIBHAAFRKEIB-ICSRJNTNSA-N 0 0 379.508 3.813 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N3CCC(Cc4ccccc4)CC3)C2)nn1 ZINC000329563223 835255838 /nfs/dbraw/zinc/25/58/38/835255838.db2.gz GRZCSBOOOHHKJO-NRFANRHFSA-N 0 0 393.535 3.623 10 30 GHEERN N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@@]34CCOc3ccccc34)CC2)cc1 ZINC000329647754 835522365 /nfs/dbraw/zinc/52/23/65/835522365.db2.gz DYUCGOPHTKGAME-XUZZJYLKSA-N 0 0 388.467 3.668 10 30 GHEERN Cc1csc(-c2cccc(S(=O)(=O)N3CCCC(C)(C)[C@@H]3C#N)c2)n1 ZINC000407960362 838249033 /nfs/dbraw/zinc/24/90/33/838249033.db2.gz XRAZCARTYDDDKQ-INIZCTEOSA-N 0 0 375.519 3.821 10 30 GHEERN Cc1ccc(CN2CC[C@H](NC(=O)NC3CCC(C(F)(F)F)CC3)C2=O)cc1 ZINC000330059678 839005495 /nfs/dbraw/zinc/00/54/95/839005495.db2.gz LKPXEGMRVZTHSM-JCYILVPMSA-N 0 0 397.441 3.721 10 30 GHEERN Cc1nc([C@H](C)NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)cs1 ZINC000330078356 839204999 /nfs/dbraw/zinc/20/49/99/839204999.db2.gz FOHJLZRGFMAWLB-KHIZAZIESA-N 0 0 389.525 3.591 10 30 GHEERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000330095884 839435981 /nfs/dbraw/zinc/43/59/81/839435981.db2.gz WIWILSWQYPOZGB-LSDHHAIUSA-N 0 0 399.461 3.829 10 30 GHEERN Cc1csc(C2CCN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC2)n1 ZINC000157144052 841170889 /nfs/dbraw/zinc/17/08/89/841170889.db2.gz GZPPNULLRQTEDW-UHFFFAOYSA-N 0 0 381.910 3.545 10 30 GHEERN CC(C)(C)c1cn2c(n1)CC[C@@H]([NH+]=C([O-])N1CCC(c3nccs3)CC1)C2 ZINC000329293541 861256100 /nfs/dbraw/zinc/25/61/00/861256100.db2.gz RPBWSSYFHJUQNA-OAHLLOKOSA-N 0 0 387.553 3.746 10 30 GHEERN O=c1[nH]ccc2c1CN(C([O-])=[NH+][C@H]1CCc3cc(Br)ccc31)CC2 ZINC000330249707 842621334 /nfs/dbraw/zinc/62/13/34/842621334.db2.gz GKXFAGLJZYDQMP-INIZCTEOSA-N 0 0 388.265 3.509 10 30 GHEERN O=C(CN1CCC[C@H](c2nnc3ccccn32)C1)Nc1nc2c(s1)CCCC2 ZINC000329407694 861381616 /nfs/dbraw/zinc/38/16/16/861381616.db2.gz DBOFCGQLRWIOBI-AWEZNQCLSA-N 0 0 396.520 3.532 10 30 GHEERN C[C@H](c1ccc(NC(=O)N[C@@H]2CCOc3ccccc32)cc1)N1CCOCC1 ZINC000329432365 861418285 /nfs/dbraw/zinc/41/82/85/861418285.db2.gz IBXVZOUFKPNIJJ-OXQOHEQNSA-N 0 0 381.476 3.930 10 30 GHEERN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000329496910 861539996 /nfs/dbraw/zinc/53/99/96/861539996.db2.gz JETBTAATGXPHNB-DAXOMENPSA-N 0 0 381.542 3.910 10 30 GHEERN Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC[C@H](C(C)(C)C)CC2)CCC[N@@H+]1C ZINC000329521410 861586497 /nfs/dbraw/zinc/58/64/97/861586497.db2.gz QTOABSQTOVJZNA-CMKODMSKSA-N 0 0 389.588 3.865 10 30 GHEERN Cc1ccc(N2CCC[C@@H](NC(=O)N(Cc3ccc(C)c(C)c3)C3CC3)C2)nn1 ZINC000329573782 861693213 /nfs/dbraw/zinc/69/32/13/861693213.db2.gz NNEUJLYBOCRURD-HXUWFJFHSA-N 0 0 393.535 3.949 10 30 GHEERN O=C(Nc1nc(CN2CCOCC2)cs1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000329056620 847178781 /nfs/dbraw/zinc/17/87/81/847178781.db2.gz SRSNPWZSFQKZOF-QGZVFWFLSA-N 0 0 390.484 3.518 10 30 GHEERN Cn1cc(CNCc2ncc(-c3ccccc3)cn2)c(-c2ccc(C#N)cc2)n1 ZINC000185876431 861767680 /nfs/dbraw/zinc/76/76/80/861767680.db2.gz XGUJZLFKDUTFQK-UHFFFAOYSA-N 0 0 380.455 3.706 10 30 GHEERN CC(=O)N1C[C@H](CCC(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)c2ccccc21 ZINC000329636198 861856251 /nfs/dbraw/zinc/85/62/51/861856251.db2.gz UXFHSNIZZJPWSH-JZXOWHBKSA-N 0 0 385.508 3.663 10 30 GHEERN C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155499736 849542354 /nfs/dbraw/zinc/54/23/54/849542354.db2.gz HJNGXYHUBGOIRV-UHFFFAOYSA-N 0 0 380.517 3.986 10 30 GHEERN COc1cc(/C=C/C(=O)NCc2cccc(-c3ccccn3)c2)ccc1OCC#N ZINC000155517053 849556397 /nfs/dbraw/zinc/55/63/97/849556397.db2.gz MATKJRFOVMALSB-PKNBQFBNSA-N 0 0 399.450 3.989 10 30 GHEERN CC(C)c1nc([C@H]2CCCN2C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)no1 ZINC000329698990 862102399 /nfs/dbraw/zinc/10/23/99/862102399.db2.gz FXOIXJTYBVUQLP-UMVBOHGHSA-N 0 0 377.489 3.778 10 30 GHEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000329709209 862165851 /nfs/dbraw/zinc/16/58/51/862165851.db2.gz MWTQOTNVUQFPAX-HALQFCHDSA-N 0 0 395.450 3.520 10 30 GHEERN CC(C)c1nnc([C@@H]2CN(C(=O)N[C@H]3CCCc4cc(F)ccc43)CCO2)o1 ZINC000329893774 862402005 /nfs/dbraw/zinc/40/20/05/862402005.db2.gz AWMOYIBKRFYWKK-IRXDYDNUSA-N 0 0 388.443 3.697 10 30 GHEERN Cc1ccc(C(=O)C2CCN(C(=O)N[C@@H]3CCC(=O)NC34CCC4)CC2)cc1 ZINC000328739893 854522531 /nfs/dbraw/zinc/52/25/31/854522531.db2.gz LMBQUOSJJBWFTD-GOSISDBHSA-N 0 0 383.492 3.845 10 30 GHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000328754272 854529399 /nfs/dbraw/zinc/52/93/99/854529399.db2.gz SFHGVQFULPBLDF-HZPDHXFCSA-N 0 0 377.872 3.749 10 30 GHEERN O=C(N[C@@H]1CCc2c[nH]nc2C1)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000328824560 854552134 /nfs/dbraw/zinc/55/21/34/854552134.db2.gz PRYOWICGLCDOCR-ALKREAHSSA-N 0 0 386.293 3.890 10 30 GHEERN Cc1ccc(Oc2ccccc2NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cc1 ZINC000328944849 854610935 /nfs/dbraw/zinc/61/09/35/854610935.db2.gz JMHONAUDZMANSF-PZJWPPBQSA-N 0 0 381.476 3.738 10 30 GHEERN Cn1c2c(nc1[C@@H]1CCCN1CC(=O)Nc1nc3c(s1)CCC3)CCCC2 ZINC000328925435 854625266 /nfs/dbraw/zinc/62/52/66/854625266.db2.gz DWFBRKVWHZDZCN-INIZCTEOSA-N 0 0 385.537 3.669 10 30 GHEERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)C1 ZINC000330194512 862650670 /nfs/dbraw/zinc/65/06/70/862650670.db2.gz ZBSRXEJLTFAUHQ-ITDIGPHOSA-N 0 0 398.385 3.834 10 30 GHEERN Cc1cnn([C@H]2CCCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)c1 ZINC000106224702 855196525 /nfs/dbraw/zinc/19/65/25/855196525.db2.gz WNUZOJITNFFWPW-INIZCTEOSA-N 0 0 397.548 3.669 10 30 GHEERN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000330219832 862671055 /nfs/dbraw/zinc/67/10/55/862671055.db2.gz PULBJULZQWGVJY-XODKDNOYSA-N 0 0 390.549 3.773 10 30 GHEERN C[C@H]1OCC[C@H]1NC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000330254907 862697741 /nfs/dbraw/zinc/69/77/41/862697741.db2.gz JQBHSGBFLKQUKJ-DFKRKDTASA-N 0 0 377.243 3.597 10 30 GHEERN CC(C)n1cc([C@@H]2CN(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)C[C@H]2CO)cn1 ZINC000329033532 860963756 /nfs/dbraw/zinc/96/37/56/860963756.db2.gz MBCKDBQMYPXURN-UGKANONSSA-N 0 0 388.556 3.745 10 30 GHEERN O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000329096336 861013421 /nfs/dbraw/zinc/01/34/21/861013421.db2.gz BROINSJXOSLGAC-KBMXLJTQSA-N 0 0 389.839 3.781 10 30 GHEERN Cc1cc2c(cc1C)[C@H](C(=O)NC[C@H]1CC[C@@H](c3nc(C4CC4)no3)O1)CO2 ZINC000329126730 861043842 /nfs/dbraw/zinc/04/38/42/861043842.db2.gz UKQPSMDGDUNRFN-OIISXLGYSA-N 0 0 383.448 3.917 10 30 GHEERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cccc(SCC#N)c3)C2)c1 ZINC000175410475 882553461 /nfs/dbraw/zinc/55/34/61/882553461.db2.gz KFHNYGVUNWWZMP-MRXNPFEDSA-N 0 0 382.485 3.949 10 30 GHEERN N#CCC[C@@H](NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)c1ccccc1 ZINC000178798222 882921304 /nfs/dbraw/zinc/92/13/04/882921304.db2.gz IIDNDRABOODQNR-RTBURBONSA-N 0 0 388.475 3.663 10 30 GHEERN N#CCC[C@H](NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1)c1ccccc1 ZINC000178798215 882921576 /nfs/dbraw/zinc/92/15/76/882921576.db2.gz IIDNDRABOODQNR-OALUTQOASA-N 0 0 388.475 3.663 10 30 GHEERN CC(C)(C#N)c1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000120703132 876242728 /nfs/dbraw/zinc/24/27/28/876242728.db2.gz DLMCLHRBNFIFKH-HXUWFJFHSA-N 0 0 390.487 3.800 10 30 GHEERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C2)c1 ZINC000181545909 883162132 /nfs/dbraw/zinc/16/21/32/883162132.db2.gz RYBIKRWQSUFETD-QGZVFWFLSA-N 0 0 376.456 3.889 10 30 GHEERN CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000193053425 884323943 /nfs/dbraw/zinc/32/39/43/884323943.db2.gz ZIJRWRHXOMCWAA-MRXNPFEDSA-N 0 0 388.475 3.942 10 30 GHEERN COc1ccc2nc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)ccc2c1 ZINC000104486320 885467835 /nfs/dbraw/zinc/46/78/35/885467835.db2.gz MGLVSANSPJPIMG-UHFFFAOYSA-N 0 0 387.439 3.799 10 30 GHEERN C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)Cc1cccc(OCC#N)c1 ZINC000125477970 886870152 /nfs/dbraw/zinc/87/01/52/886870152.db2.gz DFWGTBSOKUYMLC-YWZLYKJASA-N 0 0 384.863 3.773 10 30 GHEERN N#CCOc1ccc(/C=C/C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)cc1 ZINC000066803406 891131637 /nfs/dbraw/zinc/13/16/37/891131637.db2.gz JSJWJKQFVCNDAJ-AWNIVKPZSA-N 0 0 399.454 3.836 10 30 GHEERN C#Cc1cccc(N(C)C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]2C[C@H]2C)c1 ZINC000103102214 898066936 /nfs/dbraw/zinc/06/69/36/898066936.db2.gz UCOHEYSJHHCHPY-PBHICJAKSA-N 0 0 392.455 3.556 10 30 GHEERN N#Cc1cccc(OCc2cccc(C(=O)N3CCCC[C@@H]3c3nc[nH]n3)c2)c1 ZINC000181193073 906938621 /nfs/dbraw/zinc/93/86/21/906938621.db2.gz YPSWDVRNWLQWSG-HXUWFJFHSA-N 0 0 387.443 3.623 10 30 GHEERN CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(c1c(C#N)cccc1C#N)CC2 ZINC000368938883 922992242 /nfs/dbraw/zinc/99/22/42/922992242.db2.gz PNIOUGGJCAAVLV-FQEVSTJZSA-N 0 0 390.512 3.899 10 30 GHEERN NS(=O)(=O)c1ccc(N=NC2CCCC[C@@H]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000100492015 208376563 /nfs/dbraw/zinc/37/65/63/208376563.db2.gz PQAKPTKEEHCJHD-MPUISCFQSA-N 0 0 394.497 3.781 10 30 GHEERN NS(=O)(=O)c1ccc(N=NC2CCCC[C@H]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000100492021 208376978 /nfs/dbraw/zinc/37/69/78/208376978.db2.gz PQAKPTKEEHCJHD-VHAMKEJYSA-N 0 0 394.497 3.781 10 30 GHEERN O[C@@]1(c2ccc(OC(F)F)cc2)CS/C(=N\c2cccnc2)N1C1CC1 ZINC000101741693 208399144 /nfs/dbraw/zinc/39/91/44/208399144.db2.gz XOWCQYKBGSEVFU-LFTLAFEGSA-N 0 0 377.416 3.727 10 30 GHEERN CC/N=C1\S/C(=C/c2cn(C(C)=O)nc2-c2ccc(F)cc2)C(=O)N1CC ZINC000033291262 520206269 /nfs/dbraw/zinc/20/62/69/520206269.db2.gz INDPUCLTSZXUNJ-JSDDMWTDSA-N 0 0 386.452 3.661 10 30 GHEERN CCOc1cc(NC=C[C@H](C#N)C(=O)OCc2ccccc2)ccc1NC(C)=O ZINC000100223284 520748941 /nfs/dbraw/zinc/74/89/41/520748941.db2.gz TVVIYZKMPJHRQV-IENJSVCTSA-N 0 0 393.443 3.852 10 30 GHEERN COC(=O)c1cccc2oc(-c3cccc4c3NC(=C3C=CC=CC3=O)O4)nc21 ZINC000100392150 522253643 /nfs/dbraw/zinc/25/36/43/522253643.db2.gz KHQWPXPNDALATG-NDENLUEZSA-N 0 0 386.363 3.992 10 30 GHEERN COc1ccc(/C(=N/O)C2CCN(C(=O)OCc3ccccc3)CC2)c(O)c1 ZINC000103580632 523357536 /nfs/dbraw/zinc/35/75/36/523357536.db2.gz OMXRTLYHQCREKX-LSDHQDQOSA-N 0 0 384.432 3.628 10 30 in-vitro GHEERN C[C@@H](OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000100175137 525916702 /nfs/dbraw/zinc/91/67/02/525916702.db2.gz ZYIBENCKBXFJSL-UWTATZPHSA-N 0 0 396.149 3.709 10 30 GHEERN O=C(c1ccccc1Cl)N1C/C(=C/c2cocn2)C(=O)/C(=C\c2cocn2)C1 ZINC000588579503 834675368 /nfs/dbraw/zinc/67/53/68/834675368.db2.gz SJCYNQOAAUVYJR-GFIWHYBVSA-N 0 0 395.802 3.508 10 30 GHEERN Cc1ccc(N2CCC[C@@H](NC(=O)NC3(c4ccc(F)cc4)CCCC3)C2)nn1 ZINC000329370400 834924120 /nfs/dbraw/zinc/92/41/20/834924120.db2.gz ARFPJAOXQIDPAA-LJQANCHMSA-N 0 0 397.498 3.866 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)NCC3(c4ccc(F)cc4)CCC3)C2)nn1 ZINC000329371349 834927112 /nfs/dbraw/zinc/92/71/12/834927112.db2.gz AXPGFXBZINJQEP-IBGZPJMESA-N 0 0 397.498 3.518 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@H](c3ccc(F)cc3)C3CCC3)C2)nn1 ZINC000329548537 835230784 /nfs/dbraw/zinc/23/07/84/835230784.db2.gz CGHUBSMPWOHOCN-FPOVZHCZSA-N 0 0 397.498 3.938 10 30 GHEERN C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000329647107 835520120 /nfs/dbraw/zinc/52/01/20/835520120.db2.gz JBEWJEFRORBQHN-AAEUAGOBSA-N 0 0 386.418 3.670 10 30 GHEERN N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@]34CCOc3ccccc34)CC2)cc1 ZINC000329647752 835522548 /nfs/dbraw/zinc/52/25/48/835522548.db2.gz DYUCGOPHTKGAME-QPPBQGQZSA-N 0 0 388.467 3.668 10 30 GHEERN CN(C(=O)NC1CC(c2cccc(Cl)c2)C1)[C@H]1CCCN(c2cccnn2)C1 ZINC000329780690 835937562 /nfs/dbraw/zinc/93/75/62/835937562.db2.gz SADKWCSFTJTAEN-KVZIAJEVSA-N 0 0 399.926 3.891 10 30 GHEERN O=C(NC1CCC(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)CC1)C1CC1 ZINC000329994164 837306442 /nfs/dbraw/zinc/30/64/42/837306442.db2.gz LYYQNEIVCKFERK-DQPZFDDXSA-N 0 0 390.505 3.787 10 30 GHEERN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000188710666 837308264 /nfs/dbraw/zinc/30/82/64/837308264.db2.gz KPNOGXATVQJPOF-UHFFFAOYSA-N 0 0 385.493 3.910 10 30 GHEERN CN(C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cc(Cl)ccc1C#N ZINC000177751544 839301255 /nfs/dbraw/zinc/30/12/55/839301255.db2.gz VKSQQVKPMDNZFG-UHFFFAOYSA-N 0 0 399.853 3.866 10 30 GHEERN COc1cc(/C=C\C(=O)c2cc(O)ccc2OC)c(Br)cc1O ZINC000588409766 841304557 /nfs/dbraw/zinc/30/45/57/841304557.db2.gz YOVWLHIODKTOHS-HYXAFXHYSA-N 0 0 379.206 3.774 10 30 GHEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ncc(Br)cc1F ZINC000187551641 842644568 /nfs/dbraw/zinc/64/45/68/842644568.db2.gz ZEDRJTFZLPSXBD-JTQLQIEISA-N 0 0 387.216 3.609 10 30 GHEERN C[C@H](c1ccc(NC(=O)N[C@H]2CCOc3ccccc32)cc1)N1CCOCC1 ZINC000329432366 861418547 /nfs/dbraw/zinc/41/85/47/861418547.db2.gz IBXVZOUFKPNIJJ-UZLBHIALSA-N 0 0 381.476 3.930 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N3CCCCC[C@@H]3c3ccncc3)C2)nn1 ZINC000329562002 861669994 /nfs/dbraw/zinc/66/99/94/861669994.db2.gz GIZPSLIRFBKGOH-VQTJNVASSA-N 0 0 394.523 3.680 10 30 GHEERN O=C(NC[C@@H]1CCCN1c1cccnn1)c1cccc2c3c([nH]c21)CCCC3 ZINC000329613936 861777415 /nfs/dbraw/zinc/77/74/15/861777415.db2.gz RYONNLHQGPDWGF-HNNXBMFYSA-N 0 0 375.476 3.810 10 30 GHEERN C=CCC[C@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccccc1 ZINC000154223734 849222614 /nfs/dbraw/zinc/22/26/14/849222614.db2.gz GJLXVPCZKSUZNR-FQEVSTJZSA-N 0 0 377.488 3.758 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N(C)[C@H](C)c3cc(F)ccc3F)C2)nn1 ZINC000329681696 862051203 /nfs/dbraw/zinc/05/12/03/862051203.db2.gz SAMRDAXYZIFFDP-ZBFHGGJFSA-N 0 0 389.450 3.639 10 30 GHEERN O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000328663967 854496132 /nfs/dbraw/zinc/49/61/32/854496132.db2.gz YGMXVJAREMKBKF-VBNZEHGJSA-N 0 0 394.397 3.805 10 30 GHEERN O=C(NC1CCC(C(F)(F)F)CC1)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000328598291 854500298 /nfs/dbraw/zinc/50/02/98/854500298.db2.gz BBUIOEWLKHJMJB-ZBCRRDGASA-N 0 0 389.462 3.935 10 30 GHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000328723794 854505086 /nfs/dbraw/zinc/50/50/86/854505086.db2.gz YECHNECPFYWOAP-GDBMZVCRSA-N 0 0 376.501 3.553 10 30 GHEERN CC(C)[C@@H]1C[C@H](NC(=O)N2CCOC[C@H]2c2nc3ccccc3s2)CCO1 ZINC000328707543 854517278 /nfs/dbraw/zinc/51/72/78/854517278.db2.gz LUYUJTDPBNTBTK-PVAVHDDUSA-N 0 0 389.521 3.787 10 30 GHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCc2cc(Br)cc(F)c21 ZINC000328781658 854554334 /nfs/dbraw/zinc/55/43/34/854554334.db2.gz UWWRFTDRQLDOPO-CYBMUJFWSA-N 0 0 396.260 3.906 10 30 GHEERN Cc1ccc([C@H]2CN(C(=O)c3ccc(COc4ccccc4C#N)o3)CCO2)o1 ZINC000133743120 862672650 /nfs/dbraw/zinc/67/26/50/862672650.db2.gz ZCHZXINCHDPHET-OAQYLSRUSA-N 0 0 392.411 3.845 10 30 GHEERN CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000192947928 855847805 /nfs/dbraw/zinc/84/78/05/855847805.db2.gz MDIVCSYCCZYCNF-HIFRSBDPSA-N 0 0 381.398 3.664 10 30 GHEERN CN(c1c(C#N)cnc2c(F)ccc(Cl)c21)[C@H]1CCCN(c2cccnn2)C1 ZINC000108946739 856069088 /nfs/dbraw/zinc/06/90/88/856069088.db2.gz GAZGWCXORJWAPH-AWEZNQCLSA-N 0 0 396.857 3.794 10 30 GHEERN N#Cc1cccc(/C=C/C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)c1 ZINC000113832354 857722862 /nfs/dbraw/zinc/72/28/62/857722862.db2.gz AQXSGSCBAKMKAK-RMKNXTFCSA-N 0 0 394.434 3.808 10 30 GHEERN CC(C)CC(=O)N1CCC(COc2ccc(Br)cc2C#N)CC1 ZINC000185006577 858836584 /nfs/dbraw/zinc/83/65/84/858836584.db2.gz URVHRNLNNHOYEU-UHFFFAOYSA-N 0 0 379.298 3.984 10 30 GHEERN CC(=O)N1CC[C@H](NC(=O)Nc2cccc(C#N)c2C)c2ccc(F)cc2C1 ZINC000185468691 860351966 /nfs/dbraw/zinc/35/19/66/860351966.db2.gz GBPIMHUOYMHIEH-FQEVSTJZSA-N 0 0 380.423 3.621 10 30 GHEERN COC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000159977897 863220703 /nfs/dbraw/zinc/22/07/03/863220703.db2.gz RIUXJSZTIRBTTB-MOPGFXCFSA-N 0 0 377.444 3.563 10 30 GHEERN CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)cc1 ZINC000172760308 882306830 /nfs/dbraw/zinc/30/68/30/882306830.db2.gz GAAVYWDFGAEWFF-IBGZPJMESA-N 0 0 376.460 3.516 10 30 GHEERN C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)Cc1cccc(OCC#N)c1 ZINC000125477748 886870925 /nfs/dbraw/zinc/87/09/25/886870925.db2.gz DFWGTBSOKUYMLC-QRWLVFNGSA-N 0 0 384.863 3.773 10 30 GHEERN Cc1ccc(N2CCC(NC(=O)N[C@H](CCC#N)c3ccccc3)CC2)nc1 ZINC000133198616 887737309 /nfs/dbraw/zinc/73/73/09/887737309.db2.gz VPIQRXKUKKIZPW-HXUWFJFHSA-N 0 0 377.492 3.703 10 30 GHEERN COc1ccccc1[C@H]1CCCN1C(=O)/C=C/c1ccc(OCC#N)c(OC)c1 ZINC000068814399 891189086 /nfs/dbraw/zinc/18/90/86/891189086.db2.gz JREYNDRDMHLRCN-FMAYLGMYSA-N 0 0 392.455 3.983 10 30 GHEERN C[C@H](C#N)Oc1ccccc1NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1 ZINC000248602749 891443513 /nfs/dbraw/zinc/44/35/13/891443513.db2.gz UVQOICAMXCZZPB-PSGMQZRDSA-N 0 0 397.862 3.789 10 30 GHEERN COc1ccc(OC)c(CN(Cc2ccccc2)C2=N/C(=N\CC(C)=O)S2)c1 ZINC000020161508 532959077 /nfs/dbraw/zinc/95/90/77/532959077.db2.gz NVPDFDFCLOZYKL-LSDHQDQOSA-N 0 0 397.500 3.754 10 30 GHEERN COc1ccc(/C(=N\O)C2CCN(C(=O)OCc3ccccc3)CC2)c(O)c1 ZINC000065743261 523359047 /nfs/dbraw/zinc/35/90/47/523359047.db2.gz OMXRTLYHQCREKX-XDOYNYLZSA-N 0 0 384.432 3.628 10 30 in-vitro GHEERN Cc1ccc(NC(=NC(=O)c2ccc3c(c2)OCO3)NCc2ccncc2)cc1 ZINC000035481002 524912515 /nfs/dbraw/zinc/91/25/15/524912515.db2.gz ZCLHOUQZWGUVOM-UHFFFAOYSA-N 0 0 388.427 3.517 10 30 GHEERN O=C(c1ccsc1)N1CC[C@]2(C1)Nc1cccnc1NC2=NC1CCCC1 ZINC000096310015 526862853 /nfs/dbraw/zinc/86/28/53/526862853.db2.gz LCXABAKODRGUHC-HXUWFJFHSA-N 0 0 381.505 3.607 10 30 biogenic GHEERN CS(=O)(=O)OC[C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000584880130 570401311 /nfs/dbraw/zinc/40/13/11/570401311.db2.gz JBKFOXMTDCBVBA-OWJIYDKWSA-N 0 0 393.508 3.639 10 30 GHEERN COc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1OC ZINC000329143146 834444650 /nfs/dbraw/zinc/44/46/50/834444650.db2.gz VLMZMRQUGXMGNS-UWHLTILDSA-N 0 0 388.508 3.503 10 30 GHEERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000329208032 834546161 /nfs/dbraw/zinc/54/61/61/834546161.db2.gz FKKHWMSLBFMLSW-QWHCGFSZSA-N 0 0 390.958 3.940 10 30 GHEERN CCc1noc([C@H](C)N2CCN(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)n1 ZINC000329227360 834573879 /nfs/dbraw/zinc/57/38/79/834573879.db2.gz BDHDHQBCIOJMDW-WNRNVDISSA-N 0 0 389.544 3.584 10 30 GHEERN Cc1ccc([C@@H](C)NC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)cc1C ZINC000329823974 834669045 /nfs/dbraw/zinc/66/90/45/834669045.db2.gz QNLDTAJBKGZGGP-QGZVFWFLSA-N 0 0 378.538 3.712 10 30 GHEERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)[C@@H]2C[C@@]23CCOc2ccccc23)CC1 ZINC000329592912 835316007 /nfs/dbraw/zinc/31/60/07/835316007.db2.gz CAJPNYKSBYWPFJ-BTCOZLQPSA-N 0 0 384.520 3.966 10 30 GHEERN C[C@H](NC(=O)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1)[C@@H]1CCCCO1 ZINC000328663190 837263212 /nfs/dbraw/zinc/26/32/12/837263212.db2.gz AZQQQFKSVRQVBK-KKUMJFAQSA-N 0 0 381.542 3.686 10 30 GHEERN O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)N1CCC(N2CCCCC2=O)CC1 ZINC000330106998 839521366 /nfs/dbraw/zinc/52/13/66/839521366.db2.gz LPEJZMBRVDKJRM-GOEBONIOSA-N 0 0 389.462 3.746 10 30 GHEERN C[C@@H]1CCCN(Cc2csc(NC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)n2)C1 ZINC000330121113 839669172 /nfs/dbraw/zinc/66/91/72/839669172.db2.gz BIMDTJLGKBCBMK-GUXCAODWSA-N 0 0 392.569 3.548 10 30 GHEERN COc1cc2nc(C)sc2cc1NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000330134391 839756822 /nfs/dbraw/zinc/75/68/22/839756822.db2.gz RYURRMSBZIPSDV-DJJJIMSYSA-N 0 0 375.494 3.786 10 30 GHEERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329264041 861218771 /nfs/dbraw/zinc/21/87/71/861218771.db2.gz GOIJONWSTRIVEK-QWFCFKBJSA-N 0 0 386.492 3.617 10 30 GHEERN C[C@H]1Oc2c(cccc2C(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)NC1=O ZINC000329273679 861230727 /nfs/dbraw/zinc/23/07/27/861230727.db2.gz KBTXMZUHQTZYLT-HCKVZZMMSA-N 0 0 398.419 3.541 10 30 GHEERN Cc1ccc([C@H](CNC(=O)C[C@H]2CCCCNC2=O)N2CCOCC2)s1 ZINC000329305285 861267347 /nfs/dbraw/zinc/26/73/47/861267347.db2.gz YGJYSDDIWUHRJU-CVEARBPZSA-N 0 0 379.526 3.533 10 30 GHEERN O=c1[nH]ccc2c1CN(C([O-])=[NH+][C@@H]1CCc3cc(Br)ccc31)CC2 ZINC000330249708 842622922 /nfs/dbraw/zinc/62/29/22/842622922.db2.gz GKXFAGLJZYDQMP-MRXNPFEDSA-N 0 0 388.265 3.509 10 30 GHEERN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCSC4(CCCCC4)C3)C2)n1 ZINC000408385685 843286567 /nfs/dbraw/zinc/28/65/67/843286567.db2.gz NNBFXHNBLOIIBZ-LJQANCHMSA-N 0 0 398.576 3.756 10 30 GHEERN C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2cncn2C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000330335141 843708350 /nfs/dbraw/zinc/70/83/50/843708350.db2.gz RHCKBSYOFLRRNQ-NPWMKFEGSA-N 0 0 386.540 3.749 10 30 GHEERN CCS(=O)(=O)c1c(Cl)cccc1/C=C1/COc2c(OC)cccc2C1=O ZINC000588509232 846704103 /nfs/dbraw/zinc/70/41/03/846704103.db2.gz DWAAHDJOIXLPTC-RAXLEYEMSA-N 0 0 392.860 3.801 10 30 GHEERN N#CCc1ccc(NC(=O)C(=O)N2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000119785504 846975017 /nfs/dbraw/zinc/97/50/17/846975017.db2.gz NISZRWWOYQPDFX-UHFFFAOYSA-N 0 0 386.455 3.579 10 30 GHEERN COc1ccccc1[C@@H]1CCCN1C(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1 ZINC000329653022 861913428 /nfs/dbraw/zinc/91/34/28/861913428.db2.gz DOJALTGGDJREBC-HKUYNNGSSA-N 0 0 395.507 3.514 10 30 GHEERN COCCn1cc2c(n1)[C@H](NC(=O)N[C@H]1CC(C)(C)Oc3ccccc31)CCC2 ZINC000329769499 862307152 /nfs/dbraw/zinc/30/71/52/862307152.db2.gz FKPPYMPSRASRIE-MSOLQXFVSA-N 0 0 398.507 3.713 10 30 GHEERN C[C@H](C(=O)Nc1ccc(Cl)cn1)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000328671279 854498746 /nfs/dbraw/zinc/49/87/46/854498746.db2.gz HCBGTPLJFSWXMX-VFGMZZLHSA-N 0 0 395.850 3.706 10 30 GHEERN O=C(N[C@H]1CCC(=O)NC12CCC2)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000328759511 854530762 /nfs/dbraw/zinc/53/07/62/854530762.db2.gz WTSORTHGRDFQOJ-IBGZPJMESA-N 0 0 397.475 3.503 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c3ccccc3)C1)CCC2 ZINC000328803926 854563885 /nfs/dbraw/zinc/56/38/85/854563885.db2.gz LJVQSGUWSRRTDN-RBUKOAKNSA-N 0 0 380.492 3.578 10 30 GHEERN CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c2ccccc21 ZINC000328842772 854572107 /nfs/dbraw/zinc/57/21/07/854572107.db2.gz VXXNDFUISRROAA-AEFFLSMTSA-N 0 0 397.500 3.807 10 30 GHEERN CCO[C@@H]1C[C@H](NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)C12CCCCC2 ZINC000330269401 862708548 /nfs/dbraw/zinc/70/85/48/862708548.db2.gz JGAGHGWRMDHEJD-KANFNMMFSA-N 0 0 375.513 3.891 10 30 GHEERN CN1CCO[C@@H]2CCN(C(=O)Nc3cc(F)ccc3Oc3ccccc3)C[C@H]21 ZINC000329012186 860947375 /nfs/dbraw/zinc/94/73/75/860947375.db2.gz IOJRNQQYFVXYKC-UYAOXDASSA-N 0 0 385.439 3.568 10 30 GHEERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2ccncc2)C1 ZINC000329051624 860979089 /nfs/dbraw/zinc/97/90/89/860979089.db2.gz WOTJEKNEPJJVBI-IIHSZXCVSA-N 0 0 384.480 3.574 10 30 GHEERN Cn1cncc1[C@H]1[C@H](NC(=O)[C@H]2CCCc3sccc32)CCC(=O)N1C1CC1 ZINC000329166067 861091760 /nfs/dbraw/zinc/09/17/60/861091760.db2.gz HOVLOUIODVYMSK-RZQQEMMASA-N 0 0 398.532 3.753 10 30 GHEERN N#Cc1ccc(C[NH+]2CCC(NCc3ncc(-c4ccccc4)cn3)CC2)cc1 ZINC000186062081 864231947 /nfs/dbraw/zinc/23/19/47/864231947.db2.gz FYGGOIBEIHCPLG-UHFFFAOYSA-N 0 0 383.499 3.769 10 30 GHEERN Cc1nccn1-c1ccc([C@H](C)NC(=O)NCc2cc(C#N)ccc2F)cc1 ZINC000122863869 864819131 /nfs/dbraw/zinc/81/91/31/864819131.db2.gz HZRYABHMEJGJDC-AWEZNQCLSA-N 0 0 377.423 3.752 10 30 GHEERN CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccnc2)cc1 ZINC000172760313 882307272 /nfs/dbraw/zinc/30/72/72/882307272.db2.gz GAAVYWDFGAEWFF-LJQANCHMSA-N 0 0 376.460 3.516 10 30 GHEERN N#CCSc1cccc(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000175994297 882654009 /nfs/dbraw/zinc/65/40/09/882654009.db2.gz QFXGYVYUOYWHIQ-UHFFFAOYSA-N 0 0 393.512 3.584 10 30 GHEERN COc1ccc([C@@H]2CCCN2C(=O)CNc2ccccc2O[C@@H](C)C#N)cc1 ZINC000182591594 883228600 /nfs/dbraw/zinc/22/86/00/883228600.db2.gz VFOMLCATYCUYSD-JXFKEZNVSA-N 0 0 379.460 3.762 10 30 GHEERN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000184340115 883344529 /nfs/dbraw/zinc/34/45/29/883344529.db2.gz GCBGGPQLMJSASF-SJORKVTESA-N 0 0 392.459 3.860 10 30 GHEERN CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000102737010 884394161 /nfs/dbraw/zinc/39/41/61/884394161.db2.gz NABWQKOIYIHVGM-NRFANRHFSA-N 0 0 391.471 3.723 10 30 GHEERN CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000102737008 884394831 /nfs/dbraw/zinc/39/48/31/884394831.db2.gz NABWQKOIYIHVGM-OAQYLSRUSA-N 0 0 391.471 3.723 10 30 GHEERN C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCN(c2ncccn2)CC1 ZINC000045711948 887089183 /nfs/dbraw/zinc/08/91/83/887089183.db2.gz WTBMSJFZGXFICI-UHFFFAOYSA-N 0 0 391.928 3.558 10 30 GHEERN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000246115170 890402268 /nfs/dbraw/zinc/40/22/68/890402268.db2.gz NUNVPGLGEZOJHX-VAMGGRTRSA-N 0 0 395.503 3.580 10 30 GHEERN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000249247204 891503393 /nfs/dbraw/zinc/50/33/93/891503393.db2.gz XKTSJWJRYPZTLG-BFYDXBDKSA-N 0 0 381.432 3.509 10 30 GHEERN CC(=O)N1CC[C@@H](NC(=O)c2cccc(SCC#N)c2)c2ccc(F)cc2C1 ZINC000185529626 1014585067 /nfs/dbraw/zinc/58/50/67/1014585067.db2.gz XIRUDUZUFIBVSF-HXUWFJFHSA-N 0 0 397.475 3.665 10 30 GHEERN CCOc1cc(-c2cc(-c3ccc(NC(C)=O)cc3)nc(N)c2C#N)ccc1O ZINC000019848278 207166912 /nfs/dbraw/zinc/16/69/12/207166912.db2.gz BGYCDCILPRXBLK-UHFFFAOYSA-N 0 0 388.427 3.932 10 30 GHEERN CC(=O)c1ccc(N=C2NC(=O)C(=Cc3ccc(OCC#N)cc3)S2)cc1 ZINC000033682054 518299322 /nfs/dbraw/zinc/29/93/22/518299322.db2.gz KQTIOYIRULZFLX-PDGQHHTCSA-N 0 0 377.425 3.683 10 30 GHEERN Cc1ccc(S(=O)(=O)OC[C@H](O[C@@H]2CCCCO2)c2ccccc2)cc1 ZINC000005546084 525623075 /nfs/dbraw/zinc/62/30/75/525623075.db2.gz SGSDYBVWAAOVHZ-VQTJNVASSA-N 0 0 376.474 3.985 10 30 GHEERN O=C(c1ccoc1)N1CCC[C@@]2(C1)Nc1cccnc1NC2=NC1CCCC1 ZINC000096309764 526856932 /nfs/dbraw/zinc/85/69/32/526856932.db2.gz SBZDBHIGWPFSGO-NRFANRHFSA-N 0 0 379.464 3.528 10 30 biogenic GHEERN O=C(Nc1ccccc1CN1C(=O)CCC1=O)NC1CCC(C(F)(F)F)CC1 ZINC000329143027 834444686 /nfs/dbraw/zinc/44/46/86/834444686.db2.gz LSZYNXZOBLCWIH-UHFFFAOYSA-N 0 0 397.397 3.783 10 30 GHEERN COc1ccc2c(c1)CCCC2=NOCC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000588600417 834549729 /nfs/dbraw/zinc/54/97/29/834549729.db2.gz HQELJOSUMKWBNV-AWEZNQCLSA-N 0 0 384.398 3.553 10 30 GHEERN COc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000329267659 834677056 /nfs/dbraw/zinc/67/70/56/834677056.db2.gz GCOHHYSVYNQVAY-GOSISDBHSA-N 0 0 382.508 3.902 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@@H]3CCc3ccccc3)C2)nn1 ZINC000329559112 835247125 /nfs/dbraw/zinc/24/71/25/835247125.db2.gz FMFFXQUQMXVFBR-LEWJYISDSA-N 0 0 393.535 3.765 10 30 GHEERN Cc1nc([C@H]2CCCN(C(=O)CCNC(=O)c3ccsc3)C2)sc1C ZINC000329639101 835496713 /nfs/dbraw/zinc/49/67/13/835496713.db2.gz ZDCJXBFFUBQBNY-AWEZNQCLSA-N 0 0 377.535 3.922 10 30 GHEERN Cc1ccc(N2CCC[C@@H](NC(=O)N3CC4(CCC4)c4c3cccc4F)C2)nn1 ZINC000329660523 835548954 /nfs/dbraw/zinc/54/89/54/835548954.db2.gz IGGHCSKXVSMUTP-MRXNPFEDSA-N 0 0 395.482 3.749 10 30 GHEERN Cc1ccc(NC(=O)[C@H]2C[C@]23CCOc2ccccc23)cc1NS(C)(=O)=O ZINC000329707251 835735582 /nfs/dbraw/zinc/73/55/82/835735582.db2.gz KKXZCEBCLGXSGN-UZLBHIALSA-N 0 0 386.473 3.695 10 30 GHEERN O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329782362 835940291 /nfs/dbraw/zinc/94/02/91/835940291.db2.gz NVKODQGNMQBRHB-TUNNFDKTSA-N 0 0 379.456 3.797 10 30 GHEERN O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330160538 838109889 /nfs/dbraw/zinc/10/98/89/838109889.db2.gz SAGHSXDFXJDSEO-MGPUTAFESA-N 0 0 394.899 3.542 10 30 GHEERN N#C[C@H]1CCC[C@H]1Nc1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC000330047455 838785230 /nfs/dbraw/zinc/78/52/30/838785230.db2.gz JIYDWWXTMXLGNW-GDBMZVCRSA-N 0 0 397.548 3.506 10 30 GHEERN CCO[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)C12CCCC2 ZINC000330058019 838992024 /nfs/dbraw/zinc/99/20/24/838992024.db2.gz YJKXDXPHTPXCHV-YZGWKJHDSA-N 0 0 388.556 3.905 10 30 GHEERN O=C(NCc1csc(CCc2ccccc2)n1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330129669 839731499 /nfs/dbraw/zinc/73/14/99/839731499.db2.gz KDGVUDYCNBFUGW-PGRDOPGGSA-N 0 0 399.560 3.969 10 30 GHEERN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)N[C@@H]1CCCNC1=O ZINC000330360697 842307240 /nfs/dbraw/zinc/30/72/40/842307240.db2.gz XLUJGMLQFWSBTR-ZIAGYGMSSA-N 0 0 381.860 3.733 10 30 GHEERN CC(C)[C@@H](C(=O)Nc1ccc2nc[nH]c(=O)c2c1)S(=O)(=O)C1CCCCC1 ZINC000328895161 842835845 /nfs/dbraw/zinc/83/58/45/842835845.db2.gz BETCWNATGIAXKH-KRWDZBQOSA-N 0 0 391.493 3.696 10 30 GHEERN C[C@H](NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2 ZINC000328917616 842887057 /nfs/dbraw/zinc/88/70/57/842887057.db2.gz KVNFHHXIXRDKPA-WMLDXEAASA-N 0 0 396.443 3.999 10 30 GHEERN C[C@H](NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C)c1ccc2c(c1)OCCO2 ZINC000330271967 843366510 /nfs/dbraw/zinc/36/65/10/843366510.db2.gz WWKZJMZPDGDTLY-QWHCGFSZSA-N 0 0 381.432 3.950 10 30 GHEERN Cc1nn(C)c(C)c1CN1CCN(C(=O)Nc2csc3ccccc23)CC1 ZINC000329458477 861459989 /nfs/dbraw/zinc/45/99/89/861459989.db2.gz RDFZNMMTURDLQR-UHFFFAOYSA-N 0 0 383.521 3.615 10 30 GHEERN CC(=O)N1C[C@H](CCC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)c2ccccc21 ZINC000329595398 861730434 /nfs/dbraw/zinc/73/04/34/861730434.db2.gz BVDAVDMTKBBCIE-IRXDYDNUSA-N 0 0 395.507 3.603 10 30 GHEERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000329633762 861853877 /nfs/dbraw/zinc/85/38/77/861853877.db2.gz XFVSZPNWCCXERI-ABLCUHCHSA-N 0 0 379.444 3.525 10 30 GHEERN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C[C@@H]2CCCCNC2=O)c(C)c1 ZINC000329810139 862335536 /nfs/dbraw/zinc/33/55/36/862335536.db2.gz BJGPNVUJRKSNDS-DOTOQJQBSA-N 0 0 389.521 3.940 10 30 GHEERN C[C@@H](NC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1cccc(N2CCCC2)c1 ZINC000328600970 854501400 /nfs/dbraw/zinc/50/14/00/854501400.db2.gz DRUQQOKXADBIIK-RLLQIKCJSA-N 0 0 398.551 3.643 10 30 GHEERN Cc1csc([C@@H]2CN(C(=O)NCC3(c4ccc(F)cc4)CCC3)CCO2)n1 ZINC000328704493 854516418 /nfs/dbraw/zinc/51/64/18/854516418.db2.gz OVNRDCLPJBKBMU-KRWDZBQOSA-N 0 0 389.496 4.000 10 30 GHEERN Cc1ccc(NC(=O)[C@H](C)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1C ZINC000328708278 854517356 /nfs/dbraw/zinc/51/73/56/854517356.db2.gz ZUGZWXCMLPWZLL-HKARXFIJSA-N 0 0 388.471 3.625 10 30 GHEERN O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N[C@H]1CCC(=O)NC12CCC2 ZINC000328712418 854518554 /nfs/dbraw/zinc/51/85/54/854518554.db2.gz BQCORAZKRFLDJW-HNNXBMFYSA-N 0 0 393.871 3.547 10 30 GHEERN Cc1csc([C@@H]2CN(C(=O)N[C@@H]3C[C@@H]3c3c(F)cccc3F)CCO2)n1 ZINC000328732685 854540283 /nfs/dbraw/zinc/54/02/83/854540283.db2.gz JDUNYXSVYJRJFR-GLQYFDAESA-N 0 0 379.432 3.573 10 30 GHEERN Cc1nc([C@@H]2CCCOC2)sc1C(=O)N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000328883551 854597333 /nfs/dbraw/zinc/59/73/33/854597333.db2.gz XYUDOWHGJMZROD-HUUCEWRRSA-N 0 0 379.526 3.563 10 30 GHEERN CC(C)C(=O)N[C@@H]1CCCN(c2ccnc(N[C@@H]3CCCO[C@H]3C(C)C)n2)C1 ZINC000330154531 862621616 /nfs/dbraw/zinc/62/16/16/862621616.db2.gz XVTNICYAFNYZCP-LMMKCTJWSA-N 0 0 389.544 3.673 10 30 GHEERN C[C@H]1OCC[C@H]1NC(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000330355624 863063356 /nfs/dbraw/zinc/06/33/56/863063356.db2.gz QSZXFWZODPRLGK-WQVCFCJDSA-N 0 0 386.414 3.949 10 30 GHEERN COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2cccc(C)n2)ccc1OCC#N ZINC000166711789 859917776 /nfs/dbraw/zinc/91/77/76/859917776.db2.gz URTDXJCYECINGE-SINXNMPMSA-N 0 0 377.444 3.678 10 30 GHEERN N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@]34CCOc3ccccc34)CC2)cc1 ZINC000329647753 860408424 /nfs/dbraw/zinc/40/84/24/860408424.db2.gz DYUCGOPHTKGAME-URXFXBBRSA-N 0 0 388.467 3.668 10 30 GHEERN Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)CC(=O)N1C ZINC000329082338 861003213 /nfs/dbraw/zinc/00/32/13/861003213.db2.gz DPLYRGFIUGMYPK-JDNULILRSA-N 0 0 386.540 3.872 10 30 GHEERN Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)cc1 ZINC000329152572 861074502 /nfs/dbraw/zinc/07/45/02/861074502.db2.gz ASZWDCNCDQWWMI-JYAXBFRTSA-N 0 0 383.492 3.931 10 30 GHEERN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000329162334 861091227 /nfs/dbraw/zinc/09/12/27/861091227.db2.gz ZOVOJVGSDLIIAU-KPOBHBOGSA-N 0 0 382.508 3.963 10 30 GHEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1nc2ccc(Cl)cc2n1C ZINC000186013099 863723300 /nfs/dbraw/zinc/72/33/00/863723300.db2.gz USTXPIHHLXNWNB-LBPRGKRZSA-N 0 0 377.839 3.852 10 30 GHEERN C=CCNC(=O)c1ccc(NC(=O)NCCc2c[nH]c3cccc(C)c23)cc1 ZINC000103236260 863920086 /nfs/dbraw/zinc/92/00/86/863920086.db2.gz AYLOPDSJMKSOPT-UHFFFAOYSA-N 0 0 376.460 3.756 10 30 GHEERN C=CCc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc(OC)c1OC ZINC000103376733 863952905 /nfs/dbraw/zinc/95/29/05/863952905.db2.gz OTCXFXSTAMHXPS-CYBMUJFWSA-N 0 0 382.416 3.932 10 30 GHEERN Cc1ccc([C@H]2CN(Cc3cn(CCC#N)nc3-c3ccccc3)CCO2)o1 ZINC000093864648 882621318 /nfs/dbraw/zinc/62/13/18/882621318.db2.gz QMFRHTTWVMRWMQ-OAQYLSRUSA-N 0 0 376.460 3.939 10 30 GHEERN N#CCCCOc1cccc(NC(=O)C(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000118139211 874377807 /nfs/dbraw/zinc/37/78/07/874377807.db2.gz VAKHEFGNQWJRNX-UHFFFAOYSA-N 0 0 395.484 3.685 10 30 GHEERN COc1ccc([C@H]2CCCN2C(=O)CNc2ccccc2O[C@@H](C)C#N)cc1 ZINC000182591551 883228490 /nfs/dbraw/zinc/22/84/90/883228490.db2.gz VFOMLCATYCUYSD-OXJNMPFZSA-N 0 0 379.460 3.762 10 30 GHEERN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000184359510 883345474 /nfs/dbraw/zinc/34/54/74/883345474.db2.gz GGMFNDFMSCPZLO-KRWDZBQOSA-N 0 0 398.507 3.624 10 30 GHEERN C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000247057104 891340328 /nfs/dbraw/zinc/34/03/28/891340328.db2.gz OWPLXCBVIXPZHG-LAUBAEHRSA-N 0 0 391.519 3.915 10 30 GHEERN COc1ccc(NC(=NC(=O)c2ccc(Cl)cc2)NC[C@@H]2CCCO2)cc1 ZINC000046130836 570211688 /nfs/dbraw/zinc/21/16/88/570211688.db2.gz WVQBYWLZIUTHFP-SFHVURJKSA-N 0 0 387.867 3.726 10 30 GHEERN Cn1c2ccccc2nc1-c1cccc(NC(=O)C2CCS(=O)(=O)CC2)c1 ZINC000329457981 835074503 /nfs/dbraw/zinc/07/45/03/835074503.db2.gz QXBFODBXNDGPNC-UHFFFAOYSA-N 0 0 383.473 3.653 10 30 GHEERN C[C@H](NCc1cccn1Cc1ccccc1C#N)c1cn(-c2ccccc2)nn1 ZINC000188099899 835369883 /nfs/dbraw/zinc/36/98/83/835369883.db2.gz RMLSTCWFUPVCAN-SFHVURJKSA-N 0 0 382.471 3.840 10 30 GHEERN Cc1nc2ccc(NC(=O)N[C@@H]3CCCN(c4ccc(C)nn4)C3)cc2s1 ZINC000329683404 835674955 /nfs/dbraw/zinc/67/49/55/835674955.db2.gz TUYMZNUMBAWCNX-OAHLLOKOSA-N 0 0 382.493 3.507 10 30 GHEERN C[C@H](NC(=O)N1CCCN2c3ccccc3C[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000329734363 835824800 /nfs/dbraw/zinc/82/48/00/835824800.db2.gz RKMNITWLYXAENZ-LPHOPBHVSA-N 0 0 393.487 3.570 10 30 GHEERN CC1(C)CCc2ccccc2[C@H]1NC(=O)Cn1c2ccccc2c(=O)[nH]c1=O ZINC000328639378 836517268 /nfs/dbraw/zinc/51/72/68/836517268.db2.gz CBJQOBQKLCPTAY-LJQANCHMSA-N 0 0 377.444 3.772 10 30 GHEERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCO[C@H](c2nccs2)C1 ZINC000330122423 839681678 /nfs/dbraw/zinc/68/16/78/839681678.db2.gz KILLIBDYEJTZSK-AVGNSLFASA-N 0 0 377.432 3.799 10 30 GHEERN CN(c1c(C#N)cnc2ccc(Cl)cc21)[C@H]1CCCN(c2cccnn2)C1 ZINC000301399036 841177561 /nfs/dbraw/zinc/17/75/61/841177561.db2.gz HSMYVAKLYZTIFA-INIZCTEOSA-N 0 0 378.867 3.655 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C)CCC2 ZINC000329353128 861317292 /nfs/dbraw/zinc/31/72/92/861317292.db2.gz UVVRZOCABFQCMK-ZWKOTPCHSA-N 0 0 384.528 3.940 10 30 GHEERN C[C@@H](CCc1ccc(Br)cc1)NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329421872 861399441 /nfs/dbraw/zinc/39/94/41/861399441.db2.gz FNPMPECMCVQUQA-APHBMKBZSA-N 0 0 394.313 3.735 10 30 GHEERN C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)cc1OC ZINC000151733867 845621533 /nfs/dbraw/zinc/62/15/33/845621533.db2.gz OUDCJCRNCPQZFD-QXLXQBSBSA-N 0 0 396.491 3.639 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)C[C@H]3Sc4ccccc4NC3=O)C2)nn1 ZINC000329565026 861671225 /nfs/dbraw/zinc/67/12/25/861671225.db2.gz HDMISVPDPYMACH-WMLDXEAASA-N 0 0 397.504 3.863 10 30 GHEERN CC(=O)N1C[C@H](CCC(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)c2ccccc21 ZINC000329632405 861851673 /nfs/dbraw/zinc/85/16/73/861851673.db2.gz RVFQYIDXMWYHNC-MOPGFXCFSA-N 0 0 399.535 3.768 10 30 GHEERN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000154898584 849396045 /nfs/dbraw/zinc/39/60/45/849396045.db2.gz BUBYJVXNPWCEBF-RBUKOAKNSA-N 0 0 394.496 3.721 10 30 GHEERN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C[C@H]2CCCCNC2=O)c(C)c1 ZINC000329810143 862335945 /nfs/dbraw/zinc/33/59/45/862335945.db2.gz BJGPNVUJRKSNDS-WBVHZDCISA-N 0 0 389.521 3.940 10 30 GHEERN Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)cc1 ZINC000329892843 862402048 /nfs/dbraw/zinc/40/20/48/862402048.db2.gz AGSJETWOLXLZSX-IWFBPKFRSA-N 0 0 398.482 3.826 10 30 GHEERN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@H]3CCCO[C@H]3c3ccc(C)cc3)C2)no1 ZINC000329951875 862452695 /nfs/dbraw/zinc/45/26/95/862452695.db2.gz MOSXDWCLPXVJAU-CUWPLCDZSA-N 0 0 398.507 3.775 10 30 GHEERN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000330064066 862546993 /nfs/dbraw/zinc/54/69/93/862546993.db2.gz CANXYJQRORIEGW-FKBYEOEOSA-N 0 0 396.487 3.908 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CCCN(C(=O)c3ccc(F)cc3)C1)CCC2 ZINC000328836303 854569399 /nfs/dbraw/zinc/56/93/99/854569399.db2.gz SOIGLPJNUDBOCL-ROUUACIJSA-N 0 0 398.482 3.717 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)Cc3ccccc3)C1)CCC2 ZINC000328774559 858817063 /nfs/dbraw/zinc/81/70/63/858817063.db2.gz HQFYEZVAIQFQEF-VQTJNVASSA-N 0 0 394.519 3.507 10 30 GHEERN Cc1ccccc1COc1cccc(NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000329058264 860981607 /nfs/dbraw/zinc/98/16/07/860981607.db2.gz YIPQSVUXBFMNHQ-VXKWHMMOSA-N 0 0 395.503 3.524 10 30 GHEERN Cc1cccc(C2(C(=O)N[C@@H]3CC(=O)N(C)[C@H]3c3ccnn3C)CCCCC2)c1 ZINC000329188638 861118200 /nfs/dbraw/zinc/11/82/00/861118200.db2.gz RDPSFHXHMILIJD-WIYYLYMNSA-N 0 0 394.519 3.859 10 30 GHEERN N#CCCN(Cc1ccco1)S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000103267251 871568451 /nfs/dbraw/zinc/56/84/51/871568451.db2.gz XZNPIICWWPIVIX-YRNVUSSQSA-N 0 0 395.278 3.758 10 30 GHEERN C[C@@H](NC(=O)C(=O)Nc1ccc(CC#N)cc1)c1ccc(-c2ccncc2)cc1 ZINC000176111609 882668334 /nfs/dbraw/zinc/66/83/34/882668334.db2.gz VEKAIYNGWLOSNF-MRXNPFEDSA-N 0 0 384.439 3.631 10 30 GHEERN CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1 ZINC000178760574 882918206 /nfs/dbraw/zinc/91/82/06/882918206.db2.gz DVKHSFBHMYVECE-NSHDSACASA-N 0 0 376.382 3.973 10 30 GHEERN CC(C)N(Cc1ccccc1C#N)C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095088149 208154451 /nfs/dbraw/zinc/15/44/51/208154451.db2.gz NXCBWXFNZCJKBO-LJQANCHMSA-N 0 0 385.508 3.942 10 30 GHEERN CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1 ZINC000027533093 520532332 /nfs/dbraw/zinc/53/23/32/520532332.db2.gz SIQYREDKOXZCGX-FXAWDEMLSA-N 0 0 389.451 3.935 10 30 GHEERN CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]21C ZINC000503983160 527117741 /nfs/dbraw/zinc/11/77/41/527117741.db2.gz FNGSLGMFTHFCNV-CBIUGMSHSA-N 0 0 398.499 3.563 10 30 GHEERN O=[N+]([O-])c1cccc(/C=N\c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000005750076 527385385 /nfs/dbraw/zinc/38/53/85/527385385.db2.gz PVKYZHKDHPRDBU-HKWRFOASSA-N 0 0 387.461 3.910 10 30 GHEERN CCN(C)c1ccc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)cn1 ZINC000588577621 834561763 /nfs/dbraw/zinc/56/17/63/834561763.db2.gz NCFLIGRCWURWKS-YBEGLDIGSA-N 0 0 380.498 3.815 10 30 GHEERN Cc1cc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cnc1N1CCCC[C@H]1C ZINC000329259923 834662637 /nfs/dbraw/zinc/66/26/37/834662637.db2.gz ALSYHBVZVDRCKL-KGVIQGDOSA-N 0 0 386.540 3.941 10 30 GHEERN CNC(=O)[C@@H]1CCCN1C(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000329844707 834894627 /nfs/dbraw/zinc/89/46/27/834894627.db2.gz LMCNJXGHZZHKKM-WBVHZDCISA-N 0 0 398.532 3.880 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)C2)nn1 ZINC000329548538 835230669 /nfs/dbraw/zinc/23/06/69/835230669.db2.gz CGHUBSMPWOHOCN-PZJWPPBQSA-N 0 0 397.498 3.938 10 30 GHEERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCc3csc4ccccc34)C2)n1 ZINC000329613004 835387530 /nfs/dbraw/zinc/38/75/30/835387530.db2.gz CPGUDAJKDRIGCS-INIZCTEOSA-N 0 0 383.521 3.936 10 30 GHEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ncc(Br)cc1F ZINC000187551658 842644509 /nfs/dbraw/zinc/64/45/09/842644509.db2.gz ZEDRJTFZLPSXBD-SNVBAGLBSA-N 0 0 387.216 3.609 10 30 GHEERN C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O)C12CC3CC(CC(C3)C1)C2 ZINC000328984724 843299595 /nfs/dbraw/zinc/29/95/95/843299595.db2.gz SYVPPQIADUEDAJ-UCBXMKEOSA-N 0 0 390.568 3.757 10 30 GHEERN O=C(N[C@H]1CCc2c1cccc2F)N1CCN(c2nc3ccccc3o2)CC1 ZINC000329440682 861437052 /nfs/dbraw/zinc/43/70/52/861437052.db2.gz MYINYUXINFGMLR-KRWDZBQOSA-N 0 0 380.423 3.690 10 30 GHEERN C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)C1(C#N)CCCC1 ZINC000154245271 849228040 /nfs/dbraw/zinc/22/80/40/849228040.db2.gz RITCSNHMUZXNGV-CZUORRHYSA-N 0 0 377.282 3.821 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N3CCC(c4ccccc4)CC3)C2)nn1 ZINC000329674594 862006538 /nfs/dbraw/zinc/00/65/38/862006538.db2.gz OPNKXEUEHNGOEK-FQEVSTJZSA-N 0 0 379.508 3.547 10 30 GHEERN Cc1cccc(C(C)(C)CNC(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)c1 ZINC000329682773 862053315 /nfs/dbraw/zinc/05/33/15/862053315.db2.gz SRHGFEAMYVYWQO-LJQANCHMSA-N 0 0 381.524 3.544 10 30 GHEERN Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000329921290 862426392 /nfs/dbraw/zinc/42/63/92/862426392.db2.gz FNSJJFQSPXALCZ-SXKCCIOGSA-N 0 0 399.466 3.592 10 30 GHEERN O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)N1C[C@H]2CCC[C@H]21 ZINC000329971045 862469063 /nfs/dbraw/zinc/46/90/63/862469063.db2.gz VGTOPBLBWWBBMP-VQIMIIECSA-N 0 0 376.522 3.964 10 30 GHEERN Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CCC[C@@H]2CC2CCCCC2)cn1 ZINC000330050851 862534417 /nfs/dbraw/zinc/53/44/17/862534417.db2.gz MLFHNZVKAHCFJW-GGPKGHCWSA-N 0 0 387.528 3.929 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N(Cc1cccs1)C[C@H]1CCCO1)CCC2 ZINC000328700319 854514369 /nfs/dbraw/zinc/51/43/69/854514369.db2.gz IQDRUCDZLFMKCQ-DLBZAZTESA-N 0 0 388.537 3.726 10 30 GHEERN CC(C)[C@@H](NC(=O)N1CCC(c2nccs2)CC1)c1nnc2ccccn21 ZINC000328739441 854522613 /nfs/dbraw/zinc/52/26/13/854522613.db2.gz HXUDUELVIGQGHB-MRXNPFEDSA-N 0 0 384.509 3.677 10 30 GHEERN Cc1csc([C@@H]2CN(C(=O)N[C@@H]3C[C@H]3c3c(F)cccc3F)CCO2)n1 ZINC000328732684 854540674 /nfs/dbraw/zinc/54/06/74/854540674.db2.gz JDUNYXSVYJRJFR-DFBGVHRSSA-N 0 0 379.432 3.573 10 30 GHEERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000328811390 854544883 /nfs/dbraw/zinc/54/48/83/854544883.db2.gz AYAGHEIYXSJLQY-CGTJXYLNSA-N 0 0 376.884 3.716 10 30 GHEERN CC(C)c1nc([C@H]2CCCN(C(=O)[C@H](C)NC(=O)C3CCCCC3)C2)no1 ZINC000328855259 854579021 /nfs/dbraw/zinc/57/90/21/854579021.db2.gz WXEWCVOKZQFBQI-HOCLYGCPSA-N 0 0 376.501 3.824 10 30 GHEERN O=C(CN1C[C@@H](O)C[C@H]1c1cccc(F)c1)Nc1nc2c(s1)CCCC2 ZINC000328996573 854645554 /nfs/dbraw/zinc/64/55/54/854645554.db2.gz UNWPXFMJLJSSCC-HOCLYGCPSA-N 0 0 375.469 3.557 10 30 GHEERN O=C(N[C@@H]1CCCNC1=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000329220415 861162141 /nfs/dbraw/zinc/16/21/41/861162141.db2.gz BIAUFQGJNLPNHS-ZIAGYGMSSA-N 0 0 384.263 3.673 10 30 GHEERN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000159977598 863221024 /nfs/dbraw/zinc/22/10/24/863221024.db2.gz RIUXJSZTIRBTTB-RBUKOAKNSA-N 0 0 377.444 3.563 10 30 GHEERN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC34CC5CC(CC(C5)C3)C4)C2)n1 ZINC000081808594 865117717 /nfs/dbraw/zinc/11/77/17/865117717.db2.gz MWKYMJALSLRZBC-ZTLYHTANSA-N 0 0 378.520 3.563 10 30 GHEERN COc1ccc([C@@H]2CCCN2C(=O)CNc2ccccc2O[C@H](C)C#N)cc1 ZINC000182591616 883227971 /nfs/dbraw/zinc/22/79/71/883227971.db2.gz VFOMLCATYCUYSD-UZLBHIALSA-N 0 0 379.460 3.762 10 30 GHEERN CC[C@]1(c2ccc(N[C@@H](C)c3ccc(OCC#N)cc3)cc2)CCC(=O)NC1=O ZINC000182748542 883235018 /nfs/dbraw/zinc/23/50/18/883235018.db2.gz XLPXEDZHVQRVDR-QMHKHESXSA-N 0 0 391.471 3.846 10 30 GHEERN C=C(C)[C@H](NC(=O)N1CCC(Cc2nccn2C)CC1)c1ccc(F)c(F)c1 ZINC000185449700 883458187 /nfs/dbraw/zinc/45/81/87/883458187.db2.gz HKYCUALIHGOOGW-FQEVSTJZSA-N 0 0 388.462 3.980 10 30 GHEERN N#CCCCOc1cccnc1NC(=O)NC1CCN(c2cccs2)CC1 ZINC000188670542 883869194 /nfs/dbraw/zinc/86/91/94/883869194.db2.gz PVKFVPJJZRXKBY-UHFFFAOYSA-N 0 0 385.493 3.616 10 30 GHEERN CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CCCCC[C@@H]2c2ccncc2)cc1 ZINC000193884840 888531952 /nfs/dbraw/zinc/53/19/52/888531952.db2.gz FMSHOGWEVJWKIY-HXUWFJFHSA-N 0 0 390.487 3.965 10 30 GHEERN O=C(C#Cc1ccccc1)N1CCC2(C[C@H]2C(=O)NCCC2=CCCCC2)CC1 ZINC000012125608 206245612 /nfs/dbraw/zinc/24/56/12/206245612.db2.gz BATSICVDORBSCD-QFIPXVFZSA-N 0 0 390.527 3.674 10 30 GHEERN S=C1N=NC(COc2ccccc2)N1N=Cc1cccc(Br)c1 ZINC000015988001 207069280 /nfs/dbraw/zinc/06/92/80/207069280.db2.gz RRFUNCGJIIPMJC-ZDLGFXPLSA-N 0 0 389.278 3.791 10 30 GHEERN COc1ccc([C@@H]2N=C(Nc3nc4ccccc4o3)NC3=C2C(=O)CCC3)cc1 ZINC000017079272 207084038 /nfs/dbraw/zinc/08/40/38/207084038.db2.gz HHWSBGPCYQPTAC-FQEVSTJZSA-N 0 0 388.427 3.956 10 30 GHEERN O=S(=O)(c1ccc(/N=C/c2ccc(O)cc2O)cc1)N1CCc2ccccc21 ZINC000100037749 527269284 /nfs/dbraw/zinc/26/92/84/527269284.db2.gz NYSURDTYHSBZPZ-HYARGMPZSA-N 0 0 394.452 3.600 10 30 GHEERN COC(=O)C1=C(Nc2cccc([N+](=O)[O-])c2)SC(=Cc2ccccc2)C1=O ZINC000101590743 570826854 /nfs/dbraw/zinc/82/68/54/570826854.db2.gz MNGDGASYLVKSOI-XNTDXEJSSA-N 0 0 382.397 3.748 10 30 GHEERN COCCOc1ccc(C(=O)/C=C\c2ccc3c(c2)sc(=O)n3C)cc1OC ZINC000588598264 834540361 /nfs/dbraw/zinc/54/03/61/834540361.db2.gz CWMKVOLXDCCXPK-YVMONPNESA-N 0 0 399.468 3.530 10 30 GHEERN C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)c1ccc(Cl)c(Cl)c1 ZINC000329230563 834593954 /nfs/dbraw/zinc/59/39/54/834593954.db2.gz KCBRNUNZUICUKB-BHADISHBSA-N 0 0 387.307 3.830 10 30 GHEERN C[C@@H]1CC[C@H](NC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)c2ccccc21 ZINC000329823962 834669124 /nfs/dbraw/zinc/66/91/24/834669124.db2.gz QNGAVFDNDWRTAV-APWZRJJASA-N 0 0 390.549 3.972 10 30 GHEERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000329310603 834810599 /nfs/dbraw/zinc/81/05/99/834810599.db2.gz CHOOZBMCVDZKPM-FSBGKCOPSA-N 0 0 392.297 3.989 10 30 GHEERN O=C(Nc1ccc(F)cc1OC1CCOCC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000329427274 835022270 /nfs/dbraw/zinc/02/22/70/835022270.db2.gz JDGMFOFPAMIYOF-VFNWGFHPSA-N 0 0 392.471 3.556 10 30 GHEERN Cn1cc(-c2csc(=Nc3ccccc3C#N)n2CCCOC(F)F)cn1 ZINC000588619676 835153695 /nfs/dbraw/zinc/15/36/95/835153695.db2.gz RUJULDZFUUKFLF-UHFFFAOYSA-N 0 0 389.431 3.683 10 30 GHEERN CC(C)(CNC(=O)c1ccccc1OC1CCCCC1)N1CCS(=O)CC1 ZINC000329744585 835855341 /nfs/dbraw/zinc/85/53/41/835855341.db2.gz XVYFMVYPHJLLAU-UHFFFAOYSA-N 0 0 392.565 3.546 10 30 GHEERN Cc1nc([C@@H](C)NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)cs1 ZINC000328643462 836532485 /nfs/dbraw/zinc/53/24/85/836532485.db2.gz FKMLWYNELKXDMS-GFCCVEGCSA-N 0 0 382.489 3.954 10 30 GHEERN N#C[C@]1(c2nc(-c3cc(F)c(N4CCOCC4)c(F)c3)no2)CC12CCCC2 ZINC000333267286 844470366 /nfs/dbraw/zinc/47/03/66/844470366.db2.gz VLFSAMHERLJUBU-FQEVSTJZSA-N 0 0 386.402 3.577 10 30 GHEERN CC(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)C1 ZINC000330226442 840230472 /nfs/dbraw/zinc/23/04/72/840230472.db2.gz BMLCRKPJVKCHSN-GOSISDBHSA-N 0 0 381.480 3.873 10 30 GHEERN C[C@@H]1CN(Cc2csc(NC(=O)C[C@@H]3CCCCC(=O)N3)n2)C[C@H](C)O1 ZINC000329264649 861219250 /nfs/dbraw/zinc/21/92/50/861219250.db2.gz GTXZUPUDTBRRPW-MJBXVCDLSA-N 0 0 380.514 3.630 10 30 GHEERN Cc1nc([C@@H]2CN(C(=O)N[C@@H]3CC4(CCCC4)Oc4ccccc43)CCO2)no1 ZINC000329269618 861221394 /nfs/dbraw/zinc/22/13/94/861221394.db2.gz FEWOQEJINXPLNU-AEFFLSMTSA-N 0 0 398.463 3.502 10 30 GHEERN N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000045439589 841685406 /nfs/dbraw/zinc/68/54/06/841685406.db2.gz LDWICJVWENIPIH-DLBZAZTESA-N 0 0 394.441 3.901 10 30 GHEERN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[C@H](C(F)(F)F)C3(C)C)C2)n1 ZINC000408276837 842007594 /nfs/dbraw/zinc/00/75/94/842007594.db2.gz LQKDPSBLKOPYJA-HOTGVXAUSA-N 0 0 394.441 3.668 10 30 GHEERN Cc1nc([C@@H]2CCCN2C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)no1 ZINC000329345128 861310261 /nfs/dbraw/zinc/31/02/61/861310261.db2.gz BUSMOVVWIYMWJH-HQHQJUQOSA-N 0 0 386.496 3.605 10 30 GHEERN C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000408337779 842571125 /nfs/dbraw/zinc/57/11/25/842571125.db2.gz HQUXWYZUYIIWDM-PKOFMYQESA-N 0 0 379.504 3.579 10 30 GHEERN Cn1cc([C@H]2CCCN2C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)cn1 ZINC000328970562 843263114 /nfs/dbraw/zinc/26/31/14/843263114.db2.gz UVFLGKQKDZHMIN-PQGQHUGISA-N 0 0 384.524 3.647 10 30 GHEERN C[C@H](NC(=O)N[C@H]1CCOC2(CCOCC2)C1)c1ccccc1Br ZINC000330273810 843384127 /nfs/dbraw/zinc/38/41/27/843384127.db2.gz ZSYKCVDCPOUYSY-KBPBESRZSA-N 0 0 397.313 3.742 10 30 GHEERN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)cn1 ZINC000330326041 843682304 /nfs/dbraw/zinc/68/23/04/843682304.db2.gz JTXDLWZWUULRIK-GWOFKNCZSA-N 0 0 381.476 3.820 10 30 GHEERN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 ZINC000329714310 862208507 /nfs/dbraw/zinc/20/85/07/862208507.db2.gz SUESDFIZNNAEAC-CMCNVBFXSA-N 0 0 379.545 3.696 10 30 GHEERN Cc1nc([C@H]2CCCN(C(=O)NC3CCN(C(=O)C(C)C)CC3)C2)sc1C ZINC000329729088 862244328 /nfs/dbraw/zinc/24/43/28/862244328.db2.gz HNPLQMSWWOBHRM-INIZCTEOSA-N 0 0 392.569 3.500 10 30 GHEERN COCCn1cc2c(n1)[C@H](NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)CCC2 ZINC000329778405 862314838 /nfs/dbraw/zinc/31/48/38/862314838.db2.gz LCAODMUSJATRCR-RBSFLKMASA-N 0 0 388.434 3.532 10 30 GHEERN Cc1cc(N2C[C@H](C(=O)N[C@H]3CCCO[C@@H]3c3ccncc3)CC2=O)ccc1F ZINC000328658119 854492077 /nfs/dbraw/zinc/49/20/77/854492077.db2.gz QLPNPWBUIUJMQN-LKUPVBHCSA-N 0 0 397.450 3.759 10 30 GHEERN CC1(C)[C@H](NC(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccc(F)cc2)[C@@H]2CCO[C@@H]21 ZINC000328697981 854514146 /nfs/dbraw/zinc/51/41/46/854514146.db2.gz HJQLQYMAZLAEEJ-HNULKUCHSA-N 0 0 399.466 3.859 10 30 GHEERN Cc1csc([C@H]2CN(C(=O)NCC3(c4ccc(F)cc4)CCC3)CCO2)n1 ZINC000328704494 854516382 /nfs/dbraw/zinc/51/63/82/854516382.db2.gz OVNRDCLPJBKBMU-QGZVFWFLSA-N 0 0 389.496 4.000 10 30 GHEERN CC1(C)CN(C(=O)N[C@H]2CCC(=O)NC23CCC3)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000328751443 854528011 /nfs/dbraw/zinc/52/80/11/854528011.db2.gz RASHYBOYRGHMRN-JXSLOMFPSA-N 0 0 375.513 3.612 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CC(=O)N(c3ccc(Cl)cc3)C1)CCC2 ZINC000328827815 854563778 /nfs/dbraw/zinc/56/37/78/854563778.db2.gz QPLRXEVBYURKTN-GJZGRUSLSA-N 0 0 386.883 3.732 10 30 GHEERN O=C(CN1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1)Nc1nc2c(s1)CCCC2 ZINC000328882659 854596368 /nfs/dbraw/zinc/59/63/68/854596368.db2.gz LXMBPSDFABXPLB-LRDDRELGSA-N 0 0 393.459 3.696 10 30 GHEERN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000328923005 854623141 /nfs/dbraw/zinc/62/31/41/854623141.db2.gz CTBJDCAUUQLKIB-HUUJSLGLSA-N 0 0 385.508 3.960 10 30 GHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000330166402 862629277 /nfs/dbraw/zinc/62/92/77/862629277.db2.gz XZDAYNDAIHLRRU-SPYBWZPUSA-N 0 0 388.899 3.777 10 30 GHEERN C[C@@H](NC(=O)N1CCCN(c2ncccc2C#N)CC1)c1ccccc1Cl ZINC000056552098 855569202 /nfs/dbraw/zinc/56/92/02/855569202.db2.gz IZPQUTLURJHNBM-OAHLLOKOSA-N 0 0 383.883 3.590 10 30 GHEERN Cn1nccc1[C@@H]1[C@H](C(=O)N[C@@H]2CCc3ccccc32)CCC(=O)N1C1CC1 ZINC000330313195 862860184 /nfs/dbraw/zinc/86/01/84/862860184.db2.gz WZCWZCWZQULTIU-OPYAIIAOSA-N 0 0 378.476 3.506 10 30 GHEERN COc1ccccc1[C@H]1CCC[C@@H](C)[N@@H+]1CC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000329033331 860962722 /nfs/dbraw/zinc/96/27/22/860962722.db2.gz BQOAIWWGZAGWCO-YVWKXTFCSA-N 0 0 387.524 3.578 10 30 GHEERN Cc1ccc(Oc2ccccc2)c(NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c1 ZINC000329050898 860978570 /nfs/dbraw/zinc/97/85/70/860978570.db2.gz WHXMKGDSBYMOLB-TZIWHRDSSA-N 0 0 381.476 3.738 10 30 GHEERN C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CCc2cncnc2C1 ZINC000329177185 861103014 /nfs/dbraw/zinc/10/30/14/861103014.db2.gz MZVYRPHRAODDLI-HNNXBMFYSA-N 0 0 394.475 3.943 10 30 GHEERN CCOc1ccc([C@H](C)Nc2cnn(-c3ncccc3C#N)c2)cc1[N+](=O)[O-] ZINC000186007233 863686425 /nfs/dbraw/zinc/68/64/25/863686425.db2.gz ZCPDGHUDYZCSEI-ZDUSSCGKSA-N 0 0 378.392 3.619 10 30 GHEERN COc1cc(OC)cc([C@H]2CCN(C(=O)/C=C/c3ccc(OCC#N)cc3)C2)c1 ZINC000175403933 882551583 /nfs/dbraw/zinc/55/15/83/882551583.db2.gz DRRRXEKCIPQAAS-MOTZXUDYSA-N 0 0 392.455 3.635 10 30 GHEERN CC(=O)c1cc(Br)ccc1OC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000102711305 873471864 /nfs/dbraw/zinc/47/18/64/873471864.db2.gz GIYMUTUEUPUVQM-GFCCVEGCSA-N 0 0 388.217 3.896 10 30 GHEERN C=CCn1c(SCC(=O)N[C@H](C)c2ccc(F)cc2)nc2ccccc2c1=O ZINC000003545560 879060530 /nfs/dbraw/zinc/06/05/30/879060530.db2.gz TWBYDTDNUAUNJH-CQSZACIVSA-N 0 0 397.475 3.691 10 30 GHEERN CCC(=O)N1CSC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000102721627 884368207 /nfs/dbraw/zinc/36/82/07/884368207.db2.gz MMURHOJUAVMLBW-CQSZACIVSA-N 0 0 377.535 3.529 10 30 GHEERN Cc1ccccc1C(=O)NCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000102791865 884445692 /nfs/dbraw/zinc/44/56/92/884445692.db2.gz IYHHPDSSBRGZMM-UHFFFAOYSA-N 0 0 399.450 3.814 10 30 GHEERN COc1ccccc1CCN(C)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000105036535 887308078 /nfs/dbraw/zinc/30/80/78/887308078.db2.gz RTSAIIBVCPNIHM-UHFFFAOYSA-N 0 0 375.375 3.875 10 30 GHEERN CC(C)COC(=O)N1CCCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000194727597 888614589 /nfs/dbraw/zinc/61/45/89/888614589.db2.gz LJNFLKBMIIZMPJ-UHFFFAOYSA-N 0 0 386.496 3.820 10 30 GHEERN CN1CC[C@H](NC(=O)c2cccc(SCC#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245713175 889396763 /nfs/dbraw/zinc/39/67/63/889396763.db2.gz UFHBXOKUYMZAOR-RBUKOAKNSA-N 0 0 387.455 3.756 10 30 GHEERN CC1CCN(S(=O)(=O)c2ccc(/N=C/c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000100040167 521029871 /nfs/dbraw/zinc/02/98/71/521029871.db2.gz UNOCMICCYSMADF-XSFVSMFZSA-N 0 0 387.461 3.766 10 30 GHEERN Oc1ccc(/C=N/n2c(-c3ccco3)cs/c2=N\c2cccnc2)c(O)c1 ZINC000012564285 526339550 /nfs/dbraw/zinc/33/95/50/526339550.db2.gz GCIWFUYKVSPVTR-QLBZYLJCSA-N 0 0 378.413 3.730 10 30 GHEERN O=C(c1ccsc1)N1CCC[C@@]2(C1)Nc1cccnc1NC2=NC1CCCC1 ZINC000096309788 526861458 /nfs/dbraw/zinc/86/14/58/526861458.db2.gz PLRVBQBBHDEOSB-NRFANRHFSA-N 0 0 395.532 3.997 10 30 GHEERN Cn1c2ccc(Br)cc2c2nnc(N=NCc3ccc(F)cc3)nc21 ZINC000038168458 527096327 /nfs/dbraw/zinc/09/63/27/527096327.db2.gz WZCDMPGNMDRBBZ-AWQFTUOYSA-N 0 0 399.227 3.864 10 30 GHEERN O=C(NC([N-]c1cccc[nH+]1)(C(F)(F)F)C(F)(F)F)c1ccccc1F ZINC000020494695 527466688 /nfs/dbraw/zinc/46/66/88/527466688.db2.gz UFERAAOCPLNYTC-UHFFFAOYSA-N 0 0 381.251 3.884 10 30 GHEERN Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H]2C(=O)NOC2=O)cc1 ZINC000006069082 581094410 /nfs/dbraw/zinc/09/44/10/581094410.db2.gz QBQLYIISSRXYKL-GOSISDBHSA-N 0 0 392.411 3.859 10 30 in-man GHEERN O=C(CON=Cc1ccccc1Br)N1CCC[C@H](C(F)(F)F)C1 ZINC000588600132 834547802 /nfs/dbraw/zinc/54/78/02/834547802.db2.gz AJINDWNJUUIPQR-LBPRGKRZSA-N 0 0 393.203 3.601 10 30 GHEERN COc1ccc2c(c1)CCCC2=NOCC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000588600418 834549261 /nfs/dbraw/zinc/54/92/61/834549261.db2.gz HQELJOSUMKWBNV-CQSZACIVSA-N 0 0 384.398 3.553 10 30 GHEERN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCOC[C@@H](C2CCC2)C1 ZINC000329233735 834587130 /nfs/dbraw/zinc/58/71/30/834587130.db2.gz MEZXJAKZFOAOCA-LPHOPBHVSA-N 0 0 392.927 3.944 10 30 GHEERN COCc1cccc2sc(=NC(=O)N3CCC(c4ccnn4C)CC3)[nH]c21 ZINC000329818989 834642529 /nfs/dbraw/zinc/64/25/29/834642529.db2.gz GJKGPMCGEBJELI-UHFFFAOYSA-N 0 0 385.493 3.601 10 30 GHEERN C[C@H](CC(=O)NC1CCC(C(=O)N2CCSCC2)CC1)c1cccnc1 ZINC000329292994 834769193 /nfs/dbraw/zinc/76/91/93/834769193.db2.gz JDMUTKYRNCVIFG-KLHKWILBSA-N 0 0 375.538 3.666 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCC[C@@H]3Cc3ccccc3)C2)nn1 ZINC000329853549 834951050 /nfs/dbraw/zinc/95/10/50/834951050.db2.gz SCJSFWDECZJBEE-QHAWAJNXSA-N 0 0 393.535 3.669 10 30 GHEERN Cc1cnc(CCNC(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)nc1 ZINC000328647483 836538546 /nfs/dbraw/zinc/53/85/46/836538546.db2.gz HYZMLZMEFDQUNB-LPHOPBHVSA-N 0 0 386.293 3.951 10 30 GHEERN C[C@H](NC(=O)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1)[C@H]1CCCCO1 ZINC000328663191 837262794 /nfs/dbraw/zinc/26/27/94/837262794.db2.gz AZQQQFKSVRQVBK-ZNMIVQPWSA-N 0 0 381.542 3.686 10 30 GHEERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N[C@@H]1CCc2cc(Br)ccc21 ZINC000328700465 838719941 /nfs/dbraw/zinc/71/99/41/838719941.db2.gz WDPVGCAGRPOUMX-YLFCFFPRSA-N 0 0 391.309 3.898 10 30 GHEERN CCO[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)C12CCCC2 ZINC000330058018 838992402 /nfs/dbraw/zinc/99/24/02/838992402.db2.gz YJKXDXPHTPXCHV-YSIASYRMSA-N 0 0 388.556 3.905 10 30 GHEERN CN(C(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CCCN(c2cccnn2)C1 ZINC000330097613 839447189 /nfs/dbraw/zinc/44/71/89/839447189.db2.gz AZGQHPMBPOEOLQ-XHSDSOJGSA-N 0 0 399.461 3.660 10 30 GHEERN O=C(NCc1cn2cc(Cl)ccc2n1)N1CCC(c2nccs2)CC1 ZINC000328785969 841394132 /nfs/dbraw/zinc/39/41/32/841394132.db2.gz WJZSQWURCFSYGM-UHFFFAOYSA-N 0 0 375.885 3.738 10 30 GHEERN CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])N1CCC(c3nccs3)CC1)C2 ZINC000329293539 861256894 /nfs/dbraw/zinc/25/68/94/861256894.db2.gz RPBWSSYFHJUQNA-HNNXBMFYSA-N 0 0 387.553 3.746 10 30 GHEERN C[C@H](NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C)c1ccc2c(c1)OCCO2 ZINC000330271968 843366168 /nfs/dbraw/zinc/36/61/68/843366168.db2.gz WWKZJMZPDGDTLY-STQMWFEESA-N 0 0 381.432 3.950 10 30 GHEERN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000329496908 861540619 /nfs/dbraw/zinc/54/06/19/861540619.db2.gz JETBTAATGXPHNB-APHBMKBZSA-N 0 0 381.542 3.910 10 30 GHEERN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)N[C@]1(C)CCO[C@H]1C1CC1 ZINC000329498323 861539927 /nfs/dbraw/zinc/53/99/27/861539927.db2.gz FGXWZCMCXKCBNJ-GLZQIGESSA-N 0 0 388.434 3.584 10 30 GHEERN Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)cn1 ZINC000329890286 862400367 /nfs/dbraw/zinc/40/03/67/862400367.db2.gz FZXPXCOLSUAJCA-TXPKVOOTSA-N 0 0 388.899 3.777 10 30 GHEERN O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000329971043 862469345 /nfs/dbraw/zinc/46/93/45/862469345.db2.gz VGTOPBLBWWBBMP-LPHOPBHVSA-N 0 0 376.522 3.964 10 30 GHEERN C[C@@H]1CC[C@@H](NC(=O)N(C)C[C@@H]2C[C@H](F)CN2c2ccncn2)c2ccccc21 ZINC000329979157 862473837 /nfs/dbraw/zinc/47/38/37/862473837.db2.gz JARARHULVIEHNU-NHAYFPRASA-N 0 0 397.498 3.878 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@@H]1c1ccc3c(c1)OCO3)CCC2 ZINC000328665812 854495803 /nfs/dbraw/zinc/49/58/03/854495803.db2.gz ZNEIREPLWWLGFX-DLBZAZTESA-N 0 0 382.464 3.549 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@]1(C)CCCN(C(=O)c3ccccc3)C1)CCC2 ZINC000328693834 854511926 /nfs/dbraw/zinc/51/19/26/854511926.db2.gz CRTXGEYKWATICI-WMZHIEFXSA-N 0 0 394.519 3.968 10 30 GHEERN Cc1ccc(NC(=O)[C@H](C)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1C ZINC000328708280 854516995 /nfs/dbraw/zinc/51/69/95/854516995.db2.gz ZUGZWXCMLPWZLL-QQMNAOGKSA-N 0 0 388.471 3.625 10 30 GHEERN C[C@]1(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CCCN(C(=O)c2ccccc2)C1 ZINC000328737673 854521549 /nfs/dbraw/zinc/52/15/49/854521549.db2.gz KIVDJZDHDKLSPV-UTKZUKDTSA-N 0 0 383.492 3.927 10 30 GHEERN Cc1nc([C@@H]2CCCN(C(=O)N[C@H]3CCC(=O)NC34CCC4)C2)sc1C ZINC000328726656 854538034 /nfs/dbraw/zinc/53/80/34/854538034.db2.gz ZSQCZZMGZVNOMR-CABCVRRESA-N 0 0 376.526 3.895 10 30 GHEERN CCc1csc([C@@H]2CCCN(C(=O)NC[C@H]3CCCn4cc(C)nc43)C2)n1 ZINC000328735428 854542569 /nfs/dbraw/zinc/54/25/69/854542569.db2.gz ZBLVXMFNVKUOAQ-HZPDHXFCSA-N 0 0 387.553 3.881 10 30 GHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000330110842 862582173 /nfs/dbraw/zinc/58/21/73/862582173.db2.gz ANTJNYAWWABWGN-FOIQADDNSA-N 0 0 379.464 3.862 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CCCCN1C(=O)c1cccs1)CCC2 ZINC000328853082 854578138 /nfs/dbraw/zinc/57/81/38/854578138.db2.gz XDEOZVLJVKDJJT-JKSUJKDBSA-N 0 0 386.521 3.782 10 30 GHEERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)C1 ZINC000330194500 862650863 /nfs/dbraw/zinc/65/08/63/862650863.db2.gz ZBSRXEJLTFAUHQ-IFUGULHKSA-N 0 0 398.385 3.834 10 30 GHEERN Cn1nccc1[C@H]1[C@H](NC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CC(=O)N1C ZINC000329082505 861003430 /nfs/dbraw/zinc/00/34/30/861003430.db2.gz SDQMGVAYOYPENK-KFCGZBBRSA-N 0 0 384.524 3.645 10 30 GHEERN C=CCn1c(SCc2ccc(F)cc2C(=O)OC)nnc1-c1cccnc1 ZINC000103349747 863968010 /nfs/dbraw/zinc/96/80/10/863968010.db2.gz NOXKURBRSKFAOG-UHFFFAOYSA-N 0 0 384.436 3.744 10 30 GHEERN C=CCn1c(SCc2nc3c4ccccc4oc3c(=O)[nH]2)nnc1C1CC1 ZINC000104924401 864692494 /nfs/dbraw/zinc/69/24/94/864692494.db2.gz NTDCJIQZTQIVIQ-UHFFFAOYSA-N 0 0 379.445 3.617 10 30 GHEERN N#Cc1ccccc1N1CCN(C(=O)N[C@H](c2ccco2)c2ccccc2)CC1 ZINC000101776537 865072155 /nfs/dbraw/zinc/07/21/55/865072155.db2.gz JCVNQECFFYSMCM-QFIPXVFZSA-N 0 0 386.455 3.772 10 30 GHEERN N#Cc1ccc(S(=O)(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc1Cl ZINC000101850214 866100547 /nfs/dbraw/zinc/10/05/47/866100547.db2.gz KHWPEMGQNDHQBC-UHFFFAOYSA-N 0 0 399.863 3.675 10 30 GHEERN N#CCOc1ccc(/C=C/C(=O)N2CCC(Nc3ccccc3F)CC2)cc1 ZINC000174075023 882422400 /nfs/dbraw/zinc/42/24/00/882422400.db2.gz GELRRGILQVQLDJ-JXMROGBWSA-N 0 0 379.435 3.844 10 30 GHEERN C[C@@H](NC(=O)/C=C/c1ccc(OCC#N)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000174736697 882497859 /nfs/dbraw/zinc/49/78/59/882497859.db2.gz UCPOTTZBJLYKKT-DNGMOHDESA-N 0 0 392.390 3.669 10 30 GHEERN C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000102577939 873293021 /nfs/dbraw/zinc/29/30/21/873293021.db2.gz SSRQMRAIWMKYKJ-LJQANCHMSA-N 0 0 395.478 3.506 10 30 GHEERN C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000102577945 873295133 /nfs/dbraw/zinc/29/51/33/873295133.db2.gz SSRQMRAIWMKYKJ-IBGZPJMESA-N 0 0 395.478 3.506 10 30 GHEERN N#CCc1ccc(NC(=O)C(=O)NC(c2cccs2)c2cccs2)cc1 ZINC000119167326 874955117 /nfs/dbraw/zinc/95/51/17/874955117.db2.gz MRHQTWUUTFCOTG-UHFFFAOYSA-N 0 0 381.482 3.720 10 30 GHEERN COc1cc(C#N)ccc1OCCCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103375768 884948053 /nfs/dbraw/zinc/94/80/53/884948053.db2.gz VUPTXBWLRKWGIX-AWEZNQCLSA-N 0 0 395.415 3.612 10 30 GHEERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000190009946 908402403 /nfs/dbraw/zinc/40/24/03/908402403.db2.gz MUYALISRXNPQQL-JXFKEZNVSA-N 0 0 388.427 3.519 10 30 GHEERN N#Cc1ccc(-c2nnc3n2c2ccccc2c(=O)n3Cc2ccc(F)cc2)cc1 ZINC000006781217 206675347 /nfs/dbraw/zinc/67/53/47/206675347.db2.gz ZCGXWJRZAORZHT-UHFFFAOYSA-N 0 0 395.397 3.770 10 30 GHEERN CCCCCCCCc1ccc2c(c1)CC[C@H](C(CO)(CO)NC(C)=O)C2 ZINC000100075028 520049915 /nfs/dbraw/zinc/04/99/15/520049915.db2.gz QGEYCNBEQMCZFK-QFIPXVFZSA-N 0 0 375.553 3.554 10 30 GHEERN CC1CCN(S(=O)(=O)c2ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000100040180 521030435 /nfs/dbraw/zinc/03/04/35/521030435.db2.gz NPYMBADUKBSBDR-XSFVSMFZSA-N 0 0 387.461 3.766 10 30 GHEERN CCCOC(=NC(=O)c1ccc(F)cc1)NCCc1ccc(OC)c(OC)c1 ZINC000004911914 570364378 /nfs/dbraw/zinc/36/43/78/570364378.db2.gz JODICPXYGNJJEH-UHFFFAOYSA-N 0 0 388.439 3.598 10 30 GHEERN CCN(CC)c1ccc(CN=Nc2nnc3c4ccccc4n(C)c3n2)c(O)c1 ZINC000005736314 570453979 /nfs/dbraw/zinc/45/39/79/570453979.db2.gz YACHNYHNUITVSS-LPYMAVHISA-N 0 0 389.463 3.514 10 30 GHEERN C=CCn1c(C2CC2)nnc1S(=O)(=O)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000156917810 834644523 /nfs/dbraw/zinc/64/45/23/834644523.db2.gz QPQQGDNHHCKNFV-ZDUSSCGKSA-N 0 0 384.461 3.531 10 30 GHEERN Cc1ccnc2c1NC(=O)CN2C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000181036734 837801365 /nfs/dbraw/zinc/80/13/65/837801365.db2.gz UBJGHVGYSUAJQN-UHFFFAOYSA-N 0 0 384.395 3.653 10 30 GHEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCc3cc(Br)ccc32)no1 ZINC000329358065 834907241 /nfs/dbraw/zinc/90/72/41/834907241.db2.gz GDFBGXQBCQORLL-CABCVRRESA-N 0 0 391.269 3.879 10 30 GHEERN O=C(CCc1nnc(C2CCCC2)o1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000329897552 835300729 /nfs/dbraw/zinc/30/07/29/835300729.db2.gz DACPIVBQYIXZCT-HNNXBMFYSA-N 0 0 389.477 3.535 10 30 GHEERN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CCC(C(C)(C)C)CC2)cn1 ZINC000330174168 838270057 /nfs/dbraw/zinc/27/00/57/838270057.db2.gz HYFQKUKGVZGKRP-AEFFLSMTSA-N 0 0 375.517 3.735 10 30 GHEERN C=CCn1c(SCC(=O)N(CC)Cc2ccccc2)nnc1-c1ccncc1 ZINC000103972058 838572121 /nfs/dbraw/zinc/57/21/21/838572121.db2.gz SOJHMADDURKAJV-UHFFFAOYSA-N 0 0 393.516 3.667 10 30 GHEERN COc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000328723113 839460397 /nfs/dbraw/zinc/46/03/97/839460397.db2.gz AIVIUFFBEXAHDH-PXNSSMCTSA-N 0 0 385.508 3.957 10 30 GHEERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000329265098 861220691 /nfs/dbraw/zinc/22/06/91/861220691.db2.gz FCSZYIPVMPVWPS-MOXGXCLJSA-N 0 0 379.508 3.989 10 30 GHEERN O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@@H]1CCC(=O)c2ccccc21 ZINC000329311884 861276127 /nfs/dbraw/zinc/27/61/27/861276127.db2.gz ZWDOWSXJUOBTRY-QBIMZIAESA-N 0 0 381.432 3.884 10 30 GHEERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)c[nH]1 ZINC000329345801 861309769 /nfs/dbraw/zinc/30/97/69/861309769.db2.gz RBEJRGQMKDWAKK-XNLSGSDCSA-N 0 0 395.507 3.977 10 30 GHEERN O=C(C[C@@H]1CCCCC(=O)N1)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1 ZINC000329351577 861315601 /nfs/dbraw/zinc/31/56/01/861315601.db2.gz XFNQVJZBOATIGG-LSDHHAIUSA-N 0 0 379.457 3.604 10 30 GHEERN C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1F ZINC000328929972 842921567 /nfs/dbraw/zinc/92/15/67/842921567.db2.gz HGORPASELQBNLR-KMNYTQEUSA-N 0 0 392.446 3.872 10 30 GHEERN Cc1ccc(NC(=O)N2CC[C@H]3CCC[C@@H]32)cc1S(=O)(=O)N1CCCCC1 ZINC000330265454 843273735 /nfs/dbraw/zinc/27/37/35/843273735.db2.gz ZHAWTHDMKLFIGY-AEFFLSMTSA-N 0 0 391.537 3.590 10 30 GHEERN CC(=O)N[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)C1 ZINC000330318308 843679239 /nfs/dbraw/zinc/67/92/39/843679239.db2.gz CGEQICQXAVGIMI-GDBMZVCRSA-N 0 0 395.887 3.742 10 30 GHEERN C=C(C)C[C@H](C)C(=O)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O ZINC000588473685 844649412 /nfs/dbraw/zinc/64/94/12/844649412.db2.gz BXXBBYGOWVUYSR-XDUBLRSXSA-N 0 0 376.453 3.581 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)c3cn(C)nc3C3CCCCC3)C2)nn1 ZINC000329624977 861813009 /nfs/dbraw/zinc/81/30/09/861813009.db2.gz VCBXEVLGFCOEMH-KRWDZBQOSA-N 0 0 382.512 3.540 10 30 GHEERN CS(=O)(=O)Nc1cc(F)ccc1NC(=O)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000329131233 849734682 /nfs/dbraw/zinc/73/46/82/849734682.db2.gz AECHHGSVJQJWNB-AUUYWEPGSA-N 0 0 390.436 3.526 10 30 GHEERN Cc1nc([C@@H]2CCCN(C(=O)NC3CCN(C(=O)C(C)C)CC3)C2)sc1C ZINC000329729089 862243969 /nfs/dbraw/zinc/24/39/69/862243969.db2.gz HNPLQMSWWOBHRM-MRXNPFEDSA-N 0 0 392.569 3.500 10 30 GHEERN CCO[C@@H]1C[C@H](NC(=O)C[C@@H]2Sc3ccccc3NC2=O)[C@]12CCCO2 ZINC000329778980 862317127 /nfs/dbraw/zinc/31/71/27/862317127.db2.gz LNJKTUMAJGJXGB-YIOZNXECSA-N 0 0 376.478 3.822 10 30 GHEERN CNC(=O)C1CCC(NC(=O)N2CCC[C@H](c3nc(C)c(C)s3)C2)CC1 ZINC000329841277 862365948 /nfs/dbraw/zinc/36/59/48/862365948.db2.gz NLOXENVGGQTYMB-PCKAHOCUSA-N 0 0 378.542 3.998 10 30 GHEERN O=C(Nc1cc(F)cc(F)c1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000330079993 862559093 /nfs/dbraw/zinc/55/90/93/862559093.db2.gz GFAYZQXCCIDPKK-QGZVFWFLSA-N 0 0 388.418 3.659 10 30 GHEERN O=C(Nc1cc(F)cc(F)c1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000330079988 862558801 /nfs/dbraw/zinc/55/88/01/862558801.db2.gz GFAYZQXCCIDPKK-KRWDZBQOSA-N 0 0 388.418 3.659 10 30 GHEERN COc1ccccc1[C@H]1CCCN1C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000328611156 854482725 /nfs/dbraw/zinc/48/27/25/854482725.db2.gz OGKUFFSZUSIMGP-ZIFCJYIRSA-N 0 0 385.508 3.537 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CCCN1c1ncnc3sccc31)CCC2 ZINC000328646316 854487906 /nfs/dbraw/zinc/48/79/06/854487906.db2.gz GVVNMQNMUQTWDB-GOEBONIOSA-N 0 0 396.520 3.699 10 30 GHEERN C[C@@H]1CCC[C@H](NC(=O)CN2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)[C@H]1C ZINC000328673549 854499620 /nfs/dbraw/zinc/49/96/20/854499620.db2.gz JBYHWHLWGRXBDK-FFHWLQOYSA-N 0 0 380.492 3.763 10 30 GHEERN C[C@@H](C(=O)Nc1ccccc1Br)N1CCC[C@@H](n2cccn2)C1 ZINC000328687546 854509658 /nfs/dbraw/zinc/50/96/58/854509658.db2.gz HCSLVWONPSEZFJ-UONOGXRCSA-N 0 0 377.286 3.959 10 30 GHEERN C[C@H](NC(=O)N[C@H]1CCC(=O)NC12CCC2)c1nc(C2CCCCC2)no1 ZINC000328697331 854513550 /nfs/dbraw/zinc/51/35/50/854513550.db2.gz LGADBGVGRLCBHF-JSGCOSHPSA-N 0 0 375.473 3.724 10 30 GHEERN O=C(N[C@@H]1CCCOc2c(Cl)cccc21)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000328846944 854574312 /nfs/dbraw/zinc/57/43/12/854574312.db2.gz AORYEDAALJZBSR-UKRRQHHQSA-N 0 0 383.897 3.725 10 30 GHEERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000328947880 854613283 /nfs/dbraw/zinc/61/32/83/854613283.db2.gz GXCAAUAMNWJYHO-VSZNYVQBSA-N 0 0 388.899 3.553 10 30 GHEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000330238843 862683662 /nfs/dbraw/zinc/68/36/62/862683662.db2.gz DNWJUWVYGWZBAU-KBAYOESNSA-N 0 0 385.439 3.563 10 30 GHEERN N#CCOc1ccccc1C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219183 857016541 /nfs/dbraw/zinc/01/65/41/857016541.db2.gz KUPMSDKLLAXYJT-GOSISDBHSA-N 0 0 386.455 3.999 10 30 GHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000330328303 862909872 /nfs/dbraw/zinc/90/98/72/862909872.db2.gz LOUSRVDUWOGTMY-FUHIMQAGSA-N 0 0 383.496 3.843 10 30 GHEERN C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000116477722 858991528 /nfs/dbraw/zinc/99/15/28/858991528.db2.gz AAQRWKAYLNZCIF-LIRRHRJNSA-N 0 0 383.883 3.639 10 30 GHEERN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000156187794 860706053 /nfs/dbraw/zinc/70/60/53/860706053.db2.gz QBFUFKBYNVNYKQ-KRWDZBQOSA-N 0 0 399.882 3.634 10 30 GHEERN CN1CCO[C@@H]2CCN(C(=O)Nc3cc(Cl)ccc3OC3CCCC3)C[C@@H]21 ZINC000329045703 860973698 /nfs/dbraw/zinc/97/36/98/860973698.db2.gz PTGCSJUNHKZZKQ-PKOBYXMFSA-N 0 0 393.915 3.612 10 30 GHEERN Cn1cncc1[C@H]1[C@H](NC(=O)[C@@H]2CCCc3sccc32)CCC(=O)N1C1CC1 ZINC000329166066 861092181 /nfs/dbraw/zinc/09/21/81/861092181.db2.gz HOVLOUIODVYMSK-JXXFODFXSA-N 0 0 398.532 3.753 10 30 GHEERN C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCn2c(nnc2C2CC2)C1 ZINC000329173657 861101360 /nfs/dbraw/zinc/10/13/60/861101360.db2.gz LPIOWHJOXMRSDW-NSHDSACASA-N 0 0 379.386 3.667 10 30 GHEERN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000329171673 861101719 /nfs/dbraw/zinc/10/17/19/861101719.db2.gz KSIFZLDOTJHLOW-MSOLQXFVSA-N 0 0 398.507 3.627 10 30 GHEERN CCOc1ccc([C@@H](C)Nc2cnn(-c3ncccc3C#N)c2)cc1[N+](=O)[O-] ZINC000186007214 863686269 /nfs/dbraw/zinc/68/62/69/863686269.db2.gz ZCPDGHUDYZCSEI-CYBMUJFWSA-N 0 0 378.392 3.619 10 30 GHEERN N#CCCN(Cc1ccccn1)C(=O)COc1ccc(Cl)c2cccnc12 ZINC000103439084 863983289 /nfs/dbraw/zinc/98/32/89/863983289.db2.gz HIXPCMALFPAMBA-UHFFFAOYSA-N 0 0 380.835 3.604 10 30 GHEERN N#CCOc1ccc(CNC(=O)N2CCC(Nc3ccc(F)cc3)CC2)cc1 ZINC000170816133 882057825 /nfs/dbraw/zinc/05/78/25/882057825.db2.gz ZULNXPSPRREJRO-UHFFFAOYSA-N 0 0 382.439 3.514 10 30 GHEERN Cc1nccn1-c1ccc([C@@H](C)NC(=O)/C=C/c2ccc(OCC#N)cc2)cc1 ZINC000176185875 882643743 /nfs/dbraw/zinc/64/37/43/882643743.db2.gz AIXUPYQOYYEFHH-UPKKBRNCSA-N 0 0 386.455 3.974 10 30 GHEERN C#Cc1cccc(N(Cc2cccs2)C(=O)Cn2cnc3ccccc3c2=O)c1 ZINC000102857992 873724511 /nfs/dbraw/zinc/72/45/11/873724511.db2.gz LVBVKKCFFZCISX-UHFFFAOYSA-N 0 0 399.475 3.673 10 30 GHEERN N#Cc1ccc(CNS(=O)(=O)/C=C/c2ccc(Br)cc2)c(F)c1 ZINC000105621276 875348924 /nfs/dbraw/zinc/34/89/24/875348924.db2.gz KYFCNMUTLXLEOG-BQYQJAHWSA-N 0 0 395.253 3.550 10 30 GHEERN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000184340098 883344702 /nfs/dbraw/zinc/34/47/02/883344702.db2.gz GCBGGPQLMJSASF-IRXDYDNUSA-N 0 0 392.459 3.860 10 30 GHEERN Cc1nc([C@H](NCc2ccc(N(C)CCC#N)cc2)c2ccccc2F)no1 ZINC000114773490 886325852 /nfs/dbraw/zinc/32/58/52/886325852.db2.gz QGCRKGQAWAGCJD-HXUWFJFHSA-N 0 0 379.439 3.746 10 30 GHEERN N#CCOc1ccc(/C=C/C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000136453337 888295799 /nfs/dbraw/zinc/29/57/99/888295799.db2.gz GZQMNRPBROXZIA-NVFKUSHMSA-N 0 0 394.446 3.713 10 30 GHEERN CCNC(=S)N/N=C/c1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000033630055 519903020 /nfs/dbraw/zinc/90/30/20/519903020.db2.gz KJPKJMYZFCHFEJ-SRZZPIQSSA-N 0 0 377.897 3.746 10 30 GHEERN COc1ccccc1N1CCN(/N=C/c2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000000946054 524541076 /nfs/dbraw/zinc/54/10/76/524541076.db2.gz DALOEKJVBCKEFC-JJIBRWJFSA-N 0 0 389.503 3.654 10 30 GHEERN O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)F ZINC000103542351 526415665 /nfs/dbraw/zinc/41/56/65/526415665.db2.gz PHULMTATNVXQRF-UHFFFAOYSA-N 0 0 378.084 3.898 10 30 GHEERN Cn1cc(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)c[nH]2)c([C@@H]2CCOC2)n1 ZINC000329499625 570465287 /nfs/dbraw/zinc/46/52/87/570465287.db2.gz KBKPLCOEJAZEES-LBMSDSGBSA-N 0 0 395.507 3.751 10 30 GHEERN COc1ccc(F)cc1-c1csc(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)n1 ZINC000329544461 835215350 /nfs/dbraw/zinc/21/53/50/835215350.db2.gz YTPQUFZVOIRYCP-KANYHAFZSA-N 0 0 378.425 3.597 10 30 GHEERN O=C(NC1CC(C(F)(F)F)C1)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000329713971 835752326 /nfs/dbraw/zinc/75/23/26/835752326.db2.gz SGVSUXYFTXPSDT-UHFFFAOYSA-N 0 0 382.382 3.802 10 30 GHEERN O=C(NC[C@@H]1CCCCC(F)(F)C1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000330186404 838645198 /nfs/dbraw/zinc/64/51/98/838645198.db2.gz SAQFPFJIBNLRSO-HIFRSBDPSA-N 0 0 386.464 3.624 10 30 GHEERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000328901001 842856357 /nfs/dbraw/zinc/85/63/57/842856357.db2.gz YOMXDHIPGONORN-ZLIFDBKOSA-N 0 0 386.414 3.854 10 30 GHEERN O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000330279939 843465495 /nfs/dbraw/zinc/46/54/95/843465495.db2.gz RUHSNHFNBJREAA-LSDHHAIUSA-N 0 0 399.461 3.692 10 30 GHEERN N#CCC[C@H](NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccccc1 ZINC000151390773 845183816 /nfs/dbraw/zinc/18/38/16/845183816.db2.gz SHVNLFOLKQVAHG-NRFANRHFSA-N 0 0 396.535 3.856 10 30 GHEERN CN1C(=O)CO[C@H](C(=O)N[C@@H]2CCc3cc(Cl)ccc32)[C@H]1c1ccccc1 ZINC000329540615 861623781 /nfs/dbraw/zinc/62/37/81/861623781.db2.gz WSSICRWDKPILOO-RLLQIKCJSA-N 0 0 384.863 3.882 10 30 GHEERN CC[C@H](NC(=O)C(C#N)=C(O)C=Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000588557734 848727251 /nfs/dbraw/zinc/72/72/51/848727251.db2.gz BGUJAGBPSRIFOG-LHLSQHLDSA-N 0 0 392.455 3.693 10 30 GHEERN CC(C)n1cc([C@@H]2CN(C(=O)N[C@H]3CCCCC34CCCC4)C[C@H]2CO)cn1 ZINC000329804636 862333659 /nfs/dbraw/zinc/33/36/59/862333659.db2.gz KGXPJOLBIUFYOY-UFYCRDLUSA-N 0 0 388.556 3.889 10 30 GHEERN CCc1nc(NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2c(C)noc2C)sc1C ZINC000329857973 862377721 /nfs/dbraw/zinc/37/77/21/862377721.db2.gz ZRLJJRUIFHJMKA-KBPBESRZSA-N 0 0 395.504 3.557 10 30 GHEERN Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)cn1 ZINC000329948098 862446772 /nfs/dbraw/zinc/44/67/72/862446772.db2.gz KLNXHPJZMGCKHA-CADBVGFASA-N 0 0 388.899 3.553 10 30 GHEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cc(Br)sc1Br ZINC000225119313 853329345 /nfs/dbraw/zinc/32/93/45/853329345.db2.gz IGNNWDJPPGQCMA-HTRCEHHLSA-N 0 0 378.089 3.695 10 30 GHEERN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000328606207 854481013 /nfs/dbraw/zinc/48/10/13/854481013.db2.gz KFWLVQOHSPQDBN-MHTWAQMVSA-N 0 0 399.535 3.510 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@H]1c1ccc3c(c1)OCO3)CCC2 ZINC000328665817 854495982 /nfs/dbraw/zinc/49/59/82/854495982.db2.gz ZNEIREPLWWLGFX-IRXDYDNUSA-N 0 0 382.464 3.549 10 30 GHEERN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1nc2c(s1)CCCC2 ZINC000328678361 854506459 /nfs/dbraw/zinc/50/64/59/854506459.db2.gz BBHADVRGDCSRIG-CABCVRRESA-N 0 0 383.521 3.664 10 30 GHEERN Cc1ccc(NC(=O)N2CCC[C@H](n3cccn3)C2)c(OC[C@H]2CCCO2)c1 ZINC000328769939 854534933 /nfs/dbraw/zinc/53/49/33/854534933.db2.gz QXGPMDPTXGTNEH-ZWKOTPCHSA-N 0 0 384.480 3.632 10 30 GHEERN N#Cc1cccnc1-n1cc(NC(=O)N2CC=C(c3cccs3)CC2)cn1 ZINC000184649162 855417967 /nfs/dbraw/zinc/41/79/67/855417967.db2.gz ROMYOQDCKUSRGO-UHFFFAOYSA-N 0 0 376.445 3.522 10 30 GHEERN CC(C)Oc1ccc(NC(=O)N2CCC(Cc3nccn3C)CC2)cc1C#N ZINC000159534264 862801661 /nfs/dbraw/zinc/80/16/61/862801661.db2.gz TVODMSPFQGDHLQ-UHFFFAOYSA-N 0 0 381.480 3.566 10 30 GHEERN CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000330317304 862867602 /nfs/dbraw/zinc/86/76/02/862867602.db2.gz BMRSBMWFKITYOG-MJUUVYJYSA-N 0 0 387.572 3.618 10 30 GHEERN Cc1ccc(C)c(NC(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)c1 ZINC000330342801 863025771 /nfs/dbraw/zinc/02/57/71/863025771.db2.gz BFQZBLHFOFDDIE-GOSISDBHSA-N 0 0 380.492 3.997 10 30 GHEERN Cc1c(F)cccc1NC(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000330355238 863062123 /nfs/dbraw/zinc/06/21/23/863062123.db2.gz QKBGQQBMFQUREC-MRXNPFEDSA-N 0 0 384.455 3.828 10 30 GHEERN O=C(CN1CCN(c2nc3ccccc3o2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000329194198 861124110 /nfs/dbraw/zinc/12/41/10/861124110.db2.gz UNKPTKSQBWKIHE-UHFFFAOYSA-N 0 0 394.519 3.875 10 30 GHEERN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC34CC5CC(CC(C5)C3)C4)C2)n1 ZINC000081808590 865121850 /nfs/dbraw/zinc/12/18/50/865121850.db2.gz MWKYMJALSLRZBC-JNCPLXCYSA-N 0 0 378.520 3.563 10 30 GHEERN C#Cc1cccc(N(Cc2ccncc2)C(=O)[C@@H]2CC(=O)Nc3ccccc32)c1 ZINC000171633423 882118593 /nfs/dbraw/zinc/11/85/93/882118593.db2.gz MJEXTLCBRVHDQV-OAQYLSRUSA-N 0 0 381.435 3.722 10 30 GHEERN COc1cc(OC)cc([C@@H]2CCN(C(=O)/C=C/c3ccc(OCC#N)cc3)C2)c1 ZINC000175403916 882551906 /nfs/dbraw/zinc/55/19/06/882551906.db2.gz DRRRXEKCIPQAAS-KRZKXXONSA-N 0 0 392.455 3.635 10 30 GHEERN COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc([N+](=O)[O-])cc2C)cc1Cl ZINC000102120509 872612713 /nfs/dbraw/zinc/61/27/13/872612713.db2.gz YFINPBOZSKGVNA-CQSZACIVSA-N 0 0 387.779 3.526 10 30 GHEERN CC[C@]1(c2ccc(N[C@H](C)c3ccc(OCC#N)cc3)cc2)CCC(=O)NC1=O ZINC000182748586 883234535 /nfs/dbraw/zinc/23/45/35/883234535.db2.gz XLPXEDZHVQRVDR-WAIKUNEKSA-N 0 0 391.471 3.846 10 30 GHEERN COc1ccccc1SC[C@@H](C)CNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000103421833 884976913 /nfs/dbraw/zinc/97/69/13/884976913.db2.gz UKBWLSIARCFJGT-JKSUJKDBSA-N 0 0 384.501 3.879 10 30 GHEERN C=CCOc1ccccc1CNC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000111514678 886232123 /nfs/dbraw/zinc/23/21/23/886232123.db2.gz JHCXWHOIEDQSGE-UHFFFAOYSA-N 0 0 399.535 3.576 10 30 GHEERN COc1ccc([C@H]2CCN(C(=O)/C=C/c3ccc(OCC#N)c(OC)c3)C2)cc1 ZINC000133011098 887723881 /nfs/dbraw/zinc/72/38/81/887723881.db2.gz CRWQEHDBYHGIPJ-KBMDHIKASA-N 0 0 392.455 3.635 10 30 GHEERN C=CCOc1cccc(NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000056772299 888377042 /nfs/dbraw/zinc/37/70/42/888377042.db2.gz JZNSPLNAAODOIW-MRXNPFEDSA-N 0 0 377.448 3.706 10 30 GHEERN CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)ccc1OC ZINC000246773672 891306075 /nfs/dbraw/zinc/30/60/75/891306075.db2.gz VOGBOZYXDGTHPW-CMPZQBNXSA-N 0 0 380.444 3.557 10 30 GHEERN CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000103798893 909247656 /nfs/dbraw/zinc/24/76/56/909247656.db2.gz VKKMZGYTGMZLGZ-INIZCTEOSA-N 0 0 391.402 3.976 10 30 GHEERN COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000103799013 909248925 /nfs/dbraw/zinc/24/89/25/909248925.db2.gz GKENTHMQPKZJKF-HNNXBMFYSA-N 0 0 377.375 3.586 10 30 GHEERN C=C(C)C(=O)NCCc1nc2ccccc2n1CCOc1c(C)cccc1C ZINC000035144535 206257287 /nfs/dbraw/zinc/25/72/87/206257287.db2.gz HHLGUTHYCUNDNH-UHFFFAOYSA-N 0 0 377.488 3.967 10 30 GHEERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000095084679 208152173 /nfs/dbraw/zinc/15/21/73/208152173.db2.gz QYEMTOICTRKJOK-SFHVURJKSA-N 0 0 383.492 3.696 10 30 GHEERN CC(=O)/C(=N/Nc1cccc(Cl)c1C)Sc1nnnn1-c1ccccc1 ZINC000103698800 519353680 /nfs/dbraw/zinc/35/36/80/519353680.db2.gz MHAXXAKIUJRGSV-SILNSSARSA-N 0 0 386.868 3.731 10 30 GHEERN CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)cc(Cl)c1OCC#N ZINC000002773014 520632085 /nfs/dbraw/zinc/63/20/85/520632085.db2.gz NOISAPBUEMLQQJ-WJDWOHSUSA-N 0 0 382.803 3.986 10 30 GHEERN CCN(CC)c1ccc(C=NN2C(=S)N=NC2COc2ccccc2)cc1 ZINC000002357201 520886108 /nfs/dbraw/zinc/88/61/08/520886108.db2.gz NTURTHMTKXCFBY-STZFKDTASA-N 0 0 381.505 3.874 10 30 GHEERN CC[C@@H](COC(F)(F)F)NC(=O)c1cncc(C(F)(F)C(F)(F)F)c1 ZINC000097950214 522575339 /nfs/dbraw/zinc/57/53/39/522575339.db2.gz LPLXOQKLZKRGEV-VIFPVBQESA-N 0 0 380.235 3.781 10 30 GHEERN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N=NC1C[C@H]2CC=C[C@H]12 ZINC000033621598 527339756 /nfs/dbraw/zinc/33/97/56/527339756.db2.gz KLANTZAZLUKKIA-NRFJRPOPSA-N 0 0 398.444 3.760 10 30 GHEERN COc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1OC ZINC000329143145 834444520 /nfs/dbraw/zinc/44/45/20/834444520.db2.gz VLMZMRQUGXMGNS-BURNTYAHSA-N 0 0 388.508 3.503 10 30 GHEERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCCC[C@@H]1Cc1ccccc1)CC2 ZINC000329457735 835072402 /nfs/dbraw/zinc/07/24/02/835072402.db2.gz QRIAQOXQASQLDN-RTBURBONSA-N 0 0 381.524 3.728 10 30 GHEERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCCC[C@H]1Cc1ccccc1)CC2 ZINC000329457732 835072456 /nfs/dbraw/zinc/07/24/56/835072456.db2.gz QRIAQOXQASQLDN-MOPGFXCFSA-N 0 0 381.524 3.728 10 30 GHEERN CC(C)C[C@@H](NC(=O)N1CCCN(Cc2cnn(C)c2)CC1)c1cccs1 ZINC000329455924 835078626 /nfs/dbraw/zinc/07/86/26/835078626.db2.gz NCMKIPQSBMDFJA-GOSISDBHSA-N 0 0 389.569 3.691 10 30 GHEERN O=C(NC1CCN(C(=O)c2ccccc2)CC1)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329649902 835526412 /nfs/dbraw/zinc/52/64/12/835526412.db2.gz FNDDKLQAASBWDZ-GBXCKJPGSA-N 0 0 390.483 3.988 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCc4c3cccc4Cl)C2)nn1 ZINC000329700510 835728593 /nfs/dbraw/zinc/72/85/93/835728593.db2.gz ZVIUHABYCNNUIF-KSSFIOAISA-N 0 0 385.899 3.598 10 30 GHEERN CCCn1cc(CN2CCCN(C(=O)N[C@H]3CCc4c3cccc4F)CC2)cn1 ZINC000329733107 835813104 /nfs/dbraw/zinc/81/31/04/835813104.db2.gz QQFHQGNPYWBIQT-NRFANRHFSA-N 0 0 399.514 3.541 10 30 GHEERN Cc1cnn([C@@H]2CCN(C([O-])=[NH+][C@H]3CCc4cc(Br)ccc43)C2)c1 ZINC000329743499 835852902 /nfs/dbraw/zinc/85/29/02/835852902.db2.gz XHIDZLGOMNSVCF-WBVHZDCISA-N 0 0 389.297 3.802 10 30 GHEERN O=C(NC1CCC(C(F)(F)F)CC1)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000330017526 838506153 /nfs/dbraw/zinc/50/61/53/838506153.db2.gz RGHPKPHMDRZUME-UHFFFAOYSA-N 0 0 399.461 3.829 10 30 GHEERN Cc1nc([C@H](C)NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)cs1 ZINC000330078355 839204819 /nfs/dbraw/zinc/20/48/19/839204819.db2.gz FOHJLZRGFMAWLB-FABXCBLPSA-N 0 0 389.525 3.591 10 30 GHEERN CC(C)[C@H](NC(=O)CN1CCO[C@@H]2CCCC[C@@H]21)c1ccc2c(c1)OCCO2 ZINC000328741353 839688240 /nfs/dbraw/zinc/68/82/40/839688240.db2.gz IXJYIVMUPLRMIS-SVMVAKDDSA-N 0 0 388.508 3.755 10 30 GHEERN O=C(NC1CCN(C(=O)c2ccccc2)CC1)N1CCC(c2nccs2)CC1 ZINC000328787173 841414189 /nfs/dbraw/zinc/41/41/89/841414189.db2.gz WZMHKTLGASNYNM-UHFFFAOYSA-N 0 0 398.532 3.541 10 30 GHEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC([O-])=[NH+]c1ccc3c(c1)OC(C)(C)O3)C2 ZINC000329288233 861247902 /nfs/dbraw/zinc/24/79/02/861247902.db2.gz PVYCTKQABWPILD-AWEZNQCLSA-N 0 0 384.480 3.838 10 30 GHEERN NS(=O)(=O)c1sc(Cl)cc1C(=O)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000329313515 861276968 /nfs/dbraw/zinc/27/69/68/861276968.db2.gz GUYCXCOQCQDQAC-QWRGUYRKSA-N 0 0 376.931 3.570 10 30 GHEERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000329328615 861289241 /nfs/dbraw/zinc/28/92/41/861289241.db2.gz UZVNTOYCMZYFNP-LBTBCDHLSA-N 0 0 382.863 3.582 10 30 GHEERN COc1cc2nc(C)sc2cc1NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000329444861 861440716 /nfs/dbraw/zinc/44/07/16/861440716.db2.gz NSLPLSRHEXCSQH-UHFFFAOYSA-N 0 0 385.493 3.772 10 30 GHEERN O=C(N[C@@H]1CCc2c1cccc2F)N1CCN(c2nc3ccccc3o2)CC1 ZINC000329440686 861437267 /nfs/dbraw/zinc/43/72/67/861437267.db2.gz MYINYUXINFGMLR-QGZVFWFLSA-N 0 0 380.423 3.690 10 30 GHEERN Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)n1 ZINC000329546462 861629158 /nfs/dbraw/zinc/62/91/58/861629158.db2.gz DKVVUUMOZGEZNT-SJORKVTESA-N 0 0 392.569 3.787 10 30 GHEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190394229 847527173 /nfs/dbraw/zinc/52/71/73/847527173.db2.gz XSVOFNNMILJZLU-GOSISDBHSA-N 0 0 384.505 3.521 10 30 GHEERN C[C@H]1CCCN(c2cc(C(=O)N[C@H]3CCCO[C@@H]3c3ccncc3)ccn2)C1 ZINC000329637342 861857777 /nfs/dbraw/zinc/85/77/77/861857777.db2.gz VOEXIQLTBPBPKX-NBHGPNQESA-N 0 0 380.492 3.938 10 30 GHEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000329709208 862165717 /nfs/dbraw/zinc/16/57/17/862165717.db2.gz MWTQOTNVUQFPAX-GMLZMKKNSA-N 0 0 395.450 3.520 10 30 GHEERN Cc1c([C@@H]2[C@H](C(=O)N[C@@H](C)c3ccc(F)c(Cl)c3)CC(=O)N2C)cnn1C ZINC000329890305 862400542 /nfs/dbraw/zinc/40/05/42/862400542.db2.gz GATBQLYHXBADTM-PCJJGOFDSA-N 0 0 392.862 3.758 10 30 GHEERN C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)CC12CCCCC2 ZINC000330055383 862537684 /nfs/dbraw/zinc/53/76/84/862537684.db2.gz UHNLULUBWIZKMG-SUMDDJOVSA-N 0 0 387.528 3.786 10 30 GHEERN CCc1ccc([C@@H]2CN(C(=O)NC[C@@H]3CCCn4cc(C)nc43)CCO2)cc1 ZINC000330057495 862539512 /nfs/dbraw/zinc/53/95/12/862539512.db2.gz XOSRMKGIQFEIFQ-PMACEKPBSA-N 0 0 382.508 3.619 10 30 GHEERN O=C(Nc1ccc(F)c(F)c1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000330081736 862560491 /nfs/dbraw/zinc/56/04/91/862560491.db2.gz GWKLJTOEAWTDMH-HNNXBMFYSA-N 0 0 388.418 3.659 10 30 GHEERN C[C@H](C(=O)N[C@@H]1c2ccccc2CCC1(C)C)S(=O)(=O)C1CCOCC1 ZINC000328646646 854487775 /nfs/dbraw/zinc/48/77/75/854487775.db2.gz GYTWCYMCVJQVMS-RDTXWAMCSA-N 0 0 379.522 3.639 10 30 GHEERN Cc1nc(NC(=O)[C@H](C)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)sc1C ZINC000328679898 854507014 /nfs/dbraw/zinc/50/70/14/854507014.db2.gz NIWGYEUUPHWJSE-SIFORAMQSA-N 0 0 395.488 3.731 10 30 GHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCNC(=O)[C@H]1c1ccccc1Cl ZINC000328699812 854514366 /nfs/dbraw/zinc/51/43/66/854514366.db2.gz MKVKFPNAQHXVCN-GDBMZVCRSA-N 0 0 390.871 3.609 10 30 GHEERN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000328729736 854539793 /nfs/dbraw/zinc/53/97/93/854539793.db2.gz FSEJJTUKRUXNPF-WMZOPIPTSA-N 0 0 388.487 3.648 10 30 GHEERN O=C(CN1C[C@H](O)C[C@@H]1c1ccc(F)cc1)Nc1nc2c(s1)CCCC2 ZINC000328795824 854560092 /nfs/dbraw/zinc/56/00/92/854560092.db2.gz CRLZHVNBRHDNGR-GDBMZVCRSA-N 0 0 375.469 3.557 10 30 GHEERN O=C(C[C@@H]1CCCCNC1=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000328868858 854590246 /nfs/dbraw/zinc/59/02/46/854590246.db2.gz OZNVJSFOUSHRLR-YJBOKZPZSA-N 0 0 393.915 3.817 10 30 GHEERN O=C(CN1C[C@@H](O)C[C@@H]1c1cccc(F)c1)Nc1nc2c(s1)CCCC2 ZINC000328996570 854645684 /nfs/dbraw/zinc/64/56/84/854645684.db2.gz UNWPXFMJLJSSCC-GOEBONIOSA-N 0 0 375.469 3.557 10 30 GHEERN N#Cc1cccnc1N1CCCN(C(=O)c2ccc(Cl)c3cccnc23)CC1 ZINC000055742158 855385208 /nfs/dbraw/zinc/38/52/08/855385208.db2.gz ZSENAOCHZYGQAV-UHFFFAOYSA-N 0 0 391.862 3.507 10 30 GHEERN CN(c1c(C#N)cnc2c(F)ccc(Cl)c21)[C@@H]1CCCN(c2cccnn2)C1 ZINC000108946736 856069270 /nfs/dbraw/zinc/06/92/70/856069270.db2.gz GAZGWCXORJWAPH-CQSZACIVSA-N 0 0 396.857 3.794 10 30 GHEERN C=CCOc1cccc(NC(=O)NC[C@H]2CCN(c3cccc(OC)c3)C2)c1 ZINC000102533866 860754890 /nfs/dbraw/zinc/75/48/90/860754890.db2.gz SFPSFSJUSIFOBV-QGZVFWFLSA-N 0 0 381.476 3.908 10 30 GHEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000104338827 864270693 /nfs/dbraw/zinc/27/06/93/864270693.db2.gz OZZMNKZWUIXDMW-UHFFFAOYSA-N 0 0 393.443 3.627 10 30 GHEERN N#CCSc1cccc(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c1 ZINC000175698961 882573559 /nfs/dbraw/zinc/57/35/59/882573559.db2.gz RLZOQEIDQOTGMG-UHFFFAOYSA-N 0 0 385.533 3.603 10 30 GHEERN C[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)c1cccc(Cl)c1 ZINC000102810956 884478275 /nfs/dbraw/zinc/47/82/75/884478275.db2.gz UQSHXFIPRKJWDQ-SNVBAGLBSA-N 0 0 393.777 3.629 10 30 GHEERN COc1cc(C#N)ccc1OCCCC(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103128392 884737417 /nfs/dbraw/zinc/73/74/17/884737417.db2.gz ADWNXMBOKMHYNF-UHFFFAOYSA-N 0 0 391.471 3.875 10 30 GHEERN N#Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)ccc1Cl ZINC000194394235 888289664 /nfs/dbraw/zinc/28/96/64/888289664.db2.gz MJQFNMSGWTYNHV-UHFFFAOYSA-N 0 0 385.826 3.842 10 30 GHEERN CCOC(=O)c1sc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C#N)c1C ZINC000001965053 206395774 /nfs/dbraw/zinc/39/57/74/206395774.db2.gz HHMLHQWDSMWWQH-BQYQJAHWSA-N 0 0 385.401 3.665 10 30 GHEERN C=C(C)CN(CC)C(=O)c1cn(C(C)C)cc(C(=O)N[C@@H](C)c2ccco2)c1=O ZINC000015005707 518598286 /nfs/dbraw/zinc/59/82/86/518598286.db2.gz VJXKXGMAWQNKCC-INIZCTEOSA-N 0 0 399.491 3.551 10 30 GHEERN C=CCn1c(SCc2ccccc2C(=O)NC2CC2)nnc1-c1ccco1 ZINC000096290402 527342631 /nfs/dbraw/zinc/34/26/31/527342631.db2.gz ZXHQBRQHWPEYRN-UHFFFAOYSA-N 0 0 380.473 3.909 10 30 GHEERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21)c1ccc2ccccc2c1 ZINC000329159153 834473519 /nfs/dbraw/zinc/47/35/19/834473519.db2.gz DDZSJYIDCKBISL-CWFSZBLJSA-N 0 0 386.517 3.856 10 30 GHEERN Cc1cc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cnc1N1CCCC[C@@H]1C ZINC000329259924 834662530 /nfs/dbraw/zinc/66/25/30/834662530.db2.gz ALSYHBVZVDRCKL-NJNPRVFISA-N 0 0 386.540 3.941 10 30 GHEERN Cc1nc([C@H](C)NC(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)cs1 ZINC000329506493 835159482 /nfs/dbraw/zinc/15/94/82/835159482.db2.gz ZQHZOOKQXMQCHX-ZDUSSCGKSA-N 0 0 391.541 3.533 10 30 GHEERN Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H](C)c2cccc(Cl)c2)o1 ZINC000329894031 835297206 /nfs/dbraw/zinc/29/72/06/835297206.db2.gz AYPQWJIGIZOWNU-UVBJJODRSA-N 0 0 395.866 3.555 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@H](C)C(C)(C)c3ccccc3)C2)nn1 ZINC000329668695 835580919 /nfs/dbraw/zinc/58/09/19/835580919.db2.gz LZOBRGFTQHJPFN-MJGOQNOKSA-N 0 0 381.524 3.624 10 30 GHEERN Cc1ccc(C(C)(C)CNC(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)cc1 ZINC000329687859 835691345 /nfs/dbraw/zinc/69/13/45/835691345.db2.gz VHQFBRHTRUNBOH-LJQANCHMSA-N 0 0 381.524 3.544 10 30 GHEERN CCCn1cc(CN2CCCN(C(=O)N[C@@H]3CCc4c3cccc4F)CC2)cn1 ZINC000329733108 835813883 /nfs/dbraw/zinc/81/38/83/835813883.db2.gz QQFHQGNPYWBIQT-OAQYLSRUSA-N 0 0 399.514 3.541 10 30 GHEERN C[C@H](NC(=O)N1CCCN2c3ccccc3C[C@@H]2C1)c1ccc2c(c1)OCCO2 ZINC000329734364 835824752 /nfs/dbraw/zinc/82/47/52/835824752.db2.gz RKMNITWLYXAENZ-QFBILLFUSA-N 0 0 393.487 3.570 10 30 GHEERN Cc1cn2c(n1)[C@@H](CNC(=O)NCc1csc(Br)c1)CCC2 ZINC000328649187 836544779 /nfs/dbraw/zinc/54/47/79/836544779.db2.gz IOEQMJGHIDZIIE-GFCCVEGCSA-N 0 0 383.315 3.597 10 30 GHEERN COc1ccc(NC(C)=O)cc1NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180293336 837023926 /nfs/dbraw/zinc/02/39/26/837023926.db2.gz MARDKYIJMWVIOC-UHFFFAOYSA-N 0 0 375.432 3.538 10 30 GHEERN CC(C)Oc1ccc(NC(=O)N2CCC(Nc3nccs3)CC2)cc1C#N ZINC000189203438 838243289 /nfs/dbraw/zinc/24/32/89/838243289.db2.gz MUAPXNRHYCTLTN-UHFFFAOYSA-N 0 0 385.493 3.910 10 30 GHEERN COc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000328723114 839463207 /nfs/dbraw/zinc/46/32/07/839463207.db2.gz AIVIUFFBEXAHDH-XLIONFOSSA-N 0 0 385.508 3.957 10 30 GHEERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N[C@H]1CCOC2(CCOCC2)C1 ZINC000330247513 841033461 /nfs/dbraw/zinc/03/34/61/841033461.db2.gz YXUPBJCUEJRNAM-KKUMJFAQSA-N 0 0 378.435 3.587 10 30 GHEERN CC(C)c1nc2c(n1C)CCN(C(=O)NCCc1ccc3ccccc3n1)C2 ZINC000329304178 861265107 /nfs/dbraw/zinc/26/51/07/861265107.db2.gz XTGDLNFVHGBRAM-UHFFFAOYSA-N 0 0 377.492 3.607 10 30 GHEERN CC(C)[C@H](C(=O)Nc1ccc2nc[nH]c(=O)c2c1)S(=O)(=O)C1CCCCC1 ZINC000328895165 842837485 /nfs/dbraw/zinc/83/74/85/842837485.db2.gz BETCWNATGIAXKH-QGZVFWFLSA-N 0 0 391.493 3.696 10 30 GHEERN CC(=O)N1CCN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC12CCCCC2 ZINC000328944896 843057357 /nfs/dbraw/zinc/05/73/57/843057357.db2.gz GCVZUEODOSEUBQ-JKSUJKDBSA-N 0 0 389.462 3.889 10 30 GHEERN CCc1ccc(NC(=O)[C@@H](C#N)C(=O)C(C)=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000588447707 843126365 /nfs/dbraw/zinc/12/63/65/843126365.db2.gz TVFMONTWDGIEIW-IFMUVIIVSA-N 0 0 377.400 3.908 10 30 GHEERN Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)N3CC[C@@H]4CCC[C@@H]43)cs2)c1 ZINC000330291218 843531459 /nfs/dbraw/zinc/53/14/59/843531459.db2.gz CTBPMJIRVYAWKG-BBRMVZONSA-N 0 0 385.489 3.737 10 30 GHEERN N#C[C@H]1CCC[C@@H]1NC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000333001504 845448062 /nfs/dbraw/zinc/44/80/62/845448062.db2.gz MQPMRNNODXXXRL-JXFSHQFZSA-N 0 0 380.261 3.826 10 30 GHEERN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)C[C@@H]1OCCN(C)[C@H]1c1ccccc1 ZINC000329050289 847056527 /nfs/dbraw/zinc/05/65/27/847056527.db2.gz RBEDZCCAKMAJNI-GIVPXCGWSA-N 0 0 398.551 3.562 10 30 GHEERN O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)N1C[C@H]2CCC[C@@H]21 ZINC000329971042 862469038 /nfs/dbraw/zinc/46/90/38/862469038.db2.gz VGTOPBLBWWBBMP-APWZRJJASA-N 0 0 376.522 3.964 10 30 GHEERN O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000329991064 862486451 /nfs/dbraw/zinc/48/64/51/862486451.db2.gz WPIQQDWDLNEZCA-YZVAWVHESA-N 0 0 380.467 3.644 10 30 GHEERN CC(C)c1nc([C@H]2CCCN(CC(=O)Nc3nc4c(s3)CCCC4)C2)no1 ZINC000328830418 854564666 /nfs/dbraw/zinc/56/46/66/854564666.db2.gz JXMJFYFWKDURTD-ZDUSSCGKSA-N 0 0 389.525 3.996 10 30 GHEERN O=C(CN1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1)Nc1nc2c(s1)CCCC2 ZINC000328882660 854596579 /nfs/dbraw/zinc/59/65/79/854596579.db2.gz LXMBPSDFABXPLB-MLGOLLRUSA-N 0 0 393.459 3.696 10 30 GHEERN Cc1nc([C@@H]2CCCOC2)sc1C(=O)N1CCC[C@H](NC(=O)C(C)C)C1 ZINC000328883550 854597219 /nfs/dbraw/zinc/59/72/19/854597219.db2.gz XYUDOWHGJMZROD-CABCVRRESA-N 0 0 379.526 3.563 10 30 GHEERN CC(C)C(=O)N[C@@H]1CCCN(c2ccnc(N[C@@H]3CCCO[C@@H]3C(C)C)n2)C1 ZINC000330154532 862621486 /nfs/dbraw/zinc/62/14/86/862621486.db2.gz XVTNICYAFNYZCP-ZHALLVOQSA-N 0 0 389.544 3.673 10 30 GHEERN COc1cc([C@@H](C)Nc2cnn(-c3ncccc3C#N)c2)ccc1OC(F)F ZINC000185999751 862671082 /nfs/dbraw/zinc/67/10/82/862671082.db2.gz MOAOXWSTJSMICR-GFCCVEGCSA-N 0 0 385.374 3.922 10 30 GHEERN Cc1cc([C@@H](C)NC(=O)N2CCCN(c3ncccc3C#N)CC2)c(C)s1 ZINC000056626664 855611095 /nfs/dbraw/zinc/61/10/95/855611095.db2.gz SGFLOVBAPAYBGI-OAHLLOKOSA-N 0 0 383.521 3.615 10 30 GHEERN N#Cc1ccc(N2CCC(C(=O)N3CCCCCC3)CC2)c(Br)c1 ZINC000301876308 855774600 /nfs/dbraw/zinc/77/46/00/855774600.db2.gz NEXDXKYWVDGBKP-UHFFFAOYSA-N 0 0 390.325 3.940 10 30 GHEERN Cn1nccc1[C@@H]1[C@H](C(=O)N[C@@H]2CCCc3ccccc32)CCC(=O)N1C1CC1 ZINC000330288831 862723970 /nfs/dbraw/zinc/72/39/70/862723970.db2.gz DHRKBQJPYGRRFY-KNKQGSTJSA-N 0 0 392.503 3.896 10 30 GHEERN Cc1noc([C@@H]2CCN(C(=O)N[C@H]3CC4(CCCC4)Oc4ccccc43)C2)n1 ZINC000329060160 860983507 /nfs/dbraw/zinc/98/35/07/860983507.db2.gz NHLDFBJVDWIXDS-WBVHZDCISA-N 0 0 382.464 3.918 10 30 GHEERN O=C(N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)N[C@@H]1CCCNC1=O ZINC000329120317 861039149 /nfs/dbraw/zinc/03/91/49/861039149.db2.gz PSVQKOCFTIXBOP-HUUCEWRRSA-N 0 0 388.468 3.949 10 30 GHEERN Cn1cc([C@H]2CN(C(=O)N[C@@H]3CCC[C@H](C(C)(C)C)CC3)C[C@@H]2C(N)=O)cn1 ZINC000329198182 861127972 /nfs/dbraw/zinc/12/79/72/861127972.db2.gz UOBQSIVRHREEAD-MLHJIOFPSA-N 0 0 389.544 3.880 10 30 GHEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000186023990 864113442 /nfs/dbraw/zinc/11/34/42/864113442.db2.gz VPUCGBCSTBJUGE-AWEZNQCLSA-N 0 0 387.447 3.596 10 30 GHEERN C#Cc1cccc(N(Cc2ccco2)C(=O)Cn2ccc(=O)c3ccccc32)c1 ZINC000102858198 873724426 /nfs/dbraw/zinc/72/44/26/873724426.db2.gz KQDAWNGBFHCKRH-UHFFFAOYSA-N 0 0 382.419 3.809 10 30 GHEERN N#CCCN(C(=O)CN1CC2(CCOCC2)c2ccccc21)c1ccccc1 ZINC000192286169 884249100 /nfs/dbraw/zinc/24/91/00/884249100.db2.gz YMMHYOSFWOJQNL-UHFFFAOYSA-N 0 0 375.472 3.502 10 30 GHEERN CC(C)(C)OC(=O)N1CCCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000193494907 884519922 /nfs/dbraw/zinc/51/99/22/884519922.db2.gz YIUIGIKUKDJLFH-UHFFFAOYSA-N 0 0 386.496 3.962 10 30 GHEERN COc1cccc(-c2nsc(NC(=O)CSc3ccc(C#N)cc3)n2)c1 ZINC000103012902 884685730 /nfs/dbraw/zinc/68/57/30/884685730.db2.gz GWOTYFOYXVRZLV-UHFFFAOYSA-N 0 0 382.470 3.816 10 30 GHEERN COc1ccccc1CCN(C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000104708807 885563946 /nfs/dbraw/zinc/56/39/46/885563946.db2.gz HSGYYDRNFUDSJM-UHFFFAOYSA-N 0 0 379.504 3.733 10 30 GHEERN Cc1cccc(N2CCC(NC(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)n1 ZINC000117000356 886376813 /nfs/dbraw/zinc/37/68/13/886376813.db2.gz BPEOVJBDTIHNHZ-UHFFFAOYSA-N 0 0 377.492 3.982 10 30 GHEERN CN1CC[C@@H](NC(=O)c2cccc(SCC#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245713178 889396955 /nfs/dbraw/zinc/39/69/55/889396955.db2.gz UFHBXOKUYMZAOR-RTBURBONSA-N 0 0 387.455 3.756 10 30 GHEERN Cc1sc2[nH]c(Cc3noc([C@@]4(C#N)CC45CCCC5)n3)nc(=O)c2c1C ZINC000333886832 902399139 /nfs/dbraw/zinc/39/91/39/902399139.db2.gz XUICQHBLQBURGF-IBGZPJMESA-N 0 0 381.461 3.713 10 30 GHEERN N#Cc1cnc(C(=O)Nc2ccc(C3CC[NH2+]CC3)cc2C2=CCCCC2)[n-]1 ZINC000029046735 207352576 /nfs/dbraw/zinc/35/25/76/207352576.db2.gz XPCQXAQALLRVJQ-UHFFFAOYSA-N 0 0 375.476 3.958 10 30 in-vitro GHEERN CCOC(=O)c1sc(N=NCc2ccc(OC(C)C)c(OC)c2)nc1C ZINC000033378415 521611044 /nfs/dbraw/zinc/61/10/44/521611044.db2.gz FTJJBNGOVBMRLH-GRSHGNNSSA-N 0 0 377.466 3.870 10 30 GHEERN O=C(N[C@@H]1CCN(c2ccccc2)C1)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000329163493 834484247 /nfs/dbraw/zinc/48/42/47/834484247.db2.gz GGFVFVUHDZWFBT-QVKFZJNVSA-N 0 0 379.485 3.851 10 30 GHEERN CCc1noc([C@H](C)N2CCN(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)n1 ZINC000329227361 834574410 /nfs/dbraw/zinc/57/44/10/834574410.db2.gz BDHDHQBCIOJMDW-XLAORIBOSA-N 0 0 389.544 3.584 10 30 GHEERN COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)[C@H]1CCCCC(=O)N1 ZINC000329873589 835180630 /nfs/dbraw/zinc/18/06/30/835180630.db2.gz DXXBHKOMVAATSW-MRXNPFEDSA-N 0 0 375.469 3.798 10 30 GHEERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCc3csc4ccccc34)C2)n1 ZINC000329613008 835389079 /nfs/dbraw/zinc/38/90/79/835389079.db2.gz CPGUDAJKDRIGCS-MRXNPFEDSA-N 0 0 383.521 3.936 10 30 GHEERN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000329967361 836465832 /nfs/dbraw/zinc/46/58/32/836465832.db2.gz WDRPRDAABMJWSW-GOSISDBHSA-N 0 0 381.480 3.821 10 30 GHEERN COc1cc(/C=C/C(=O)N2CCC(c3nc(C)cs3)CC2)ccc1OCC#N ZINC000102646681 837196780 /nfs/dbraw/zinc/19/67/80/837196780.db2.gz XRDSETZGKUXNGW-GQCTYLIASA-N 0 0 397.500 3.782 10 30 GHEERN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000330239745 841330010 /nfs/dbraw/zinc/33/00/10/841330010.db2.gz BGNNQRHQZPWAGM-QFBILLFUSA-N 0 0 391.537 3.590 10 30 GHEERN CCc1cccc2c1OCC[C@@H]2NC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000329304643 861265979 /nfs/dbraw/zinc/26/59/79/861265979.db2.gz XZRCEXLZBADBJD-KRWDZBQOSA-N 0 0 382.508 3.902 10 30 GHEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)no1 ZINC000329417563 861392460 /nfs/dbraw/zinc/39/24/60/861392460.db2.gz ZMEABDKALDQZKR-PMPSAXMXSA-N 0 0 376.844 3.613 10 30 GHEERN CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000330328817 843689015 /nfs/dbraw/zinc/68/90/15/843689015.db2.gz LZDUKPPCHZMTKO-YZVAWVHESA-N 0 0 381.476 3.820 10 30 GHEERN Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC(c4ccccc4C)CC3)C2)nn1 ZINC000329654849 861916495 /nfs/dbraw/zinc/91/64/95/861916495.db2.gz FNOSNQBPJYZBQC-HXUWFJFHSA-N 0 0 393.535 3.856 10 30 GHEERN Cc1ccc([C@H](NC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)C2CC2)cc1 ZINC000329688481 862059000 /nfs/dbraw/zinc/05/90/00/862059000.db2.gz VMOFNCHGGFNMRV-CTNGQTDRSA-N 0 0 379.508 3.751 10 30 GHEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000329713579 862207886 /nfs/dbraw/zinc/20/78/86/862207886.db2.gz RSBVRXWXFZLARV-SQWLQELKSA-N 0 0 389.500 3.574 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N(C)[C@H]3CCCC[C@H]3C(F)(F)F)C2)nn1 ZINC000329771889 862312504 /nfs/dbraw/zinc/31/25/04/862312504.db2.gz KEVHMTMQQRDETA-XHSDSOJGSA-N 0 0 399.461 3.721 10 30 GHEERN CC(C)n1cc([C@@H]2CN(C(=O)N[C@@H]3CCCCC34CCCC4)C[C@H]2CO)cn1 ZINC000329804635 862331730 /nfs/dbraw/zinc/33/17/30/862331730.db2.gz KGXPJOLBIUFYOY-SLFFLAALSA-N 0 0 388.556 3.889 10 30 GHEERN C[C@H](NC(=O)N[C@@H]1CCC(=O)NC12CCC2)c1nc(C2CCCCC2)no1 ZINC000328697330 854513412 /nfs/dbraw/zinc/51/34/12/854513412.db2.gz LGADBGVGRLCBHF-GXTWGEPZSA-N 0 0 375.473 3.724 10 30 GHEERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000328964788 854634752 /nfs/dbraw/zinc/63/47/52/854634752.db2.gz LZGJIISOLXYCBZ-BDJLRTHQSA-N 0 0 377.828 3.693 10 30 GHEERN CC1(C)C[C@@H](NC(=O)N[C@H]2CCO[C@@H]2c2cccnc2)c2ccc(F)cc2O1 ZINC000329090568 861008819 /nfs/dbraw/zinc/00/88/19/861008819.db2.gz WOSVZRYBYYLFCE-YQVWRLOYSA-N 0 0 385.439 3.857 10 30 GHEERN Cc1nc(CC(C)C)sc1C(=O)N[C@@H](c1nccn1C)C1CCOCC1 ZINC000329101822 861018351 /nfs/dbraw/zinc/01/83/51/861018351.db2.gz ZWCDLOGPECSDQW-MRXNPFEDSA-N 0 0 376.526 3.856 10 30 GHEERN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000329171677 861101587 /nfs/dbraw/zinc/10/15/87/861101587.db2.gz KSIFZLDOTJHLOW-ROUUACIJSA-N 0 0 398.507 3.627 10 30 GHEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ncc(Br)s1 ZINC000186017225 864044727 /nfs/dbraw/zinc/04/47/27/864044727.db2.gz CGMYKZBRKJRFOS-VIFPVBQESA-N 0 0 375.255 3.531 10 30 GHEERN C=CCNC(=O)c1ccc(NC(=O)N2CCC(Nc3ccccc3F)CC2)cc1 ZINC000175369703 882547047 /nfs/dbraw/zinc/54/70/47/882547047.db2.gz ZNNZZFHZMLKWMD-UHFFFAOYSA-N 0 0 396.466 3.850 10 30 GHEERN Cc1cccc(N2CCC(NC(=O)N[C@@H](CCC#N)c3ccccc3)CC2)n1 ZINC000132941045 887714576 /nfs/dbraw/zinc/71/45/76/887714576.db2.gz HNMFHJFODHPZNI-FQEVSTJZSA-N 0 0 377.492 3.703 10 30 GHEERN CC(C)(C)n1cc(C#N)cc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000194266903 888162353 /nfs/dbraw/zinc/16/23/53/888162353.db2.gz KAKUWJRVNDHIDM-UHFFFAOYSA-N 0 0 384.505 3.667 10 30 GHEERN CCN(C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000105909109 890943724 /nfs/dbraw/zinc/94/37/24/890943724.db2.gz BOHHMAZUUTWNBT-XLIONFOSSA-N 0 0 375.472 3.829 10 30 GHEERN COc1ccccc1[C@@H]1CCCN1C(=O)/C=C/c1ccc(OCC#N)c(OC)c1 ZINC000068814394 891189192 /nfs/dbraw/zinc/18/91/92/891189192.db2.gz JREYNDRDMHLRCN-RDELFYGPSA-N 0 0 392.455 3.983 10 30 GHEERN CC(=O)c1sc(NN=C2NCC(=Cc3cccc([N+](=O)[O-])c3)S2)nc1C ZINC000048547845 903789103 /nfs/dbraw/zinc/78/91/03/903789103.db2.gz WMRXHOZAKHTVJU-NTUHNPAUSA-N 0 0 389.462 3.623 10 30 GHEERN Cc1ccc([C@H]2C(=O)C(C(=O)NCc3ccco3)=CC3=C2CCCC3=O)cc1 ZINC000015863920 207065412 /nfs/dbraw/zinc/06/54/12/207065412.db2.gz GRGAATVHDSSPTD-OAQYLSRUSA-N 0 0 375.424 3.547 10 30 GHEERN CC(C)(C)OC(=O)N1CCC(C(=O)N(Cc2ccccc2C#N)C2CC2)CC1 ZINC000095083472 208152438 /nfs/dbraw/zinc/15/24/38/208152438.db2.gz UMLDRBFXFQODDJ-UHFFFAOYSA-N 0 0 383.492 3.696 10 30 GHEERN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N(Cc1ccccc1C#N)C1CC1 ZINC000095086164 208154607 /nfs/dbraw/zinc/15/46/07/208154607.db2.gz OYERRBBPOVJCBE-IBGZPJMESA-N 0 0 383.492 3.839 10 30 GHEERN C#CCOc1c(Br)cc(/C=C2/SC(=O)N(C)C2=O)cc1OCC ZINC000002972869 208936113 /nfs/dbraw/zinc/93/61/13/208936113.db2.gz SATVLSIXYUALPI-UKTHLTGXSA-N 0 0 396.262 3.526 10 30 GHEERN C=C1C(=O)C[C@H]2C[C@@H]3O[C@]3(C)CC[C@@H]3O[C@]3(C)C[C@H](OC(C)=O)[C@H]1C2(C)C ZINC000100031111 518657790 /nfs/dbraw/zinc/65/77/90/518657790.db2.gz HNPAHGHFONBTLV-WHGBHIEZSA-N 0 0 376.493 3.595 10 30 GHEERN C=CCc1cc(C=C2NC(=Nc3ccc(C)cc3)NC2=O)cc(OCC)c1O ZINC000105103664 519125994 /nfs/dbraw/zinc/12/59/94/519125994.db2.gz HDHUQFVFQPALPE-PDGQHHTCSA-N 0 0 377.444 3.576 10 30 GHEERN COc1cc(/C=N\n2cnnc2)cc(Br)c1OCc1ccccc1 ZINC000033729449 522009577 /nfs/dbraw/zinc/00/95/77/522009577.db2.gz MVPAWHUYGSGNOE-NKVSQWTQSA-N 0 0 387.237 3.510 10 30 GHEERN COCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)S/C1=N/c1ccccc1 ZINC000096577483 523787861 /nfs/dbraw/zinc/78/78/61/523787861.db2.gz AFEZZAWPSXSXTJ-KIOXBDSISA-N 0 0 398.484 3.954 10 30 GHEERN CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000329201871 834537677 /nfs/dbraw/zinc/53/76/77/834537677.db2.gz CABZQXCNUPJHHR-KHYOSLBOSA-N 0 0 389.496 3.900 10 30 GHEERN O=C(CON=Cc1ccccc1Br)N1CCC[C@@H](C(F)(F)F)C1 ZINC000588600131 834547962 /nfs/dbraw/zinc/54/79/62/834547962.db2.gz AJINDWNJUUIPQR-GFCCVEGCSA-N 0 0 393.203 3.601 10 30 GHEERN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000329814859 834619491 /nfs/dbraw/zinc/61/94/91/834619491.db2.gz NSQHXCXPBPPQBA-ZACQAIPSSA-N 0 0 379.526 3.664 10 30 GHEERN C[C@H](NC(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cccc(Cl)c1 ZINC000329281114 834743414 /nfs/dbraw/zinc/74/34/14/834743414.db2.gz NDWBPHLJJOSXIP-WMLDXEAASA-N 0 0 378.904 3.585 10 30 GHEERN N#Cc1ccc(N2CCC[C@H](NC(=O)CSC[C@H]3CCCCO3)C2)c(F)c1 ZINC000329304105 834799888 /nfs/dbraw/zinc/79/98/88/834799888.db2.gz XCZIFZGRBRFUHW-DLBZAZTESA-N 0 0 391.512 3.925 10 30 GHEERN N#Cc1ccccc1OC1CCC(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)CC1 ZINC000111897222 834995865 /nfs/dbraw/zinc/99/58/65/834995865.db2.gz RZFZVHFYYZWIPI-ACBHZAAOSA-N 0 0 393.491 3.908 10 30 GHEERN COc1cc2nc(C)sc2cc1NC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000329476127 835112004 /nfs/dbraw/zinc/11/20/04/835112004.db2.gz PHVWZJUBNZHALF-AWEZNQCLSA-N 0 0 390.490 3.689 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)C3(c4ccccc4C)CCOCC3)C2)nn1 ZINC000329582910 835286849 /nfs/dbraw/zinc/28/68/49/835286849.db2.gz LOOSTLXSNZEMCH-IBGZPJMESA-N 0 0 394.519 3.767 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)Nc3nc4c(s3)CCCCC4)C2)nn1 ZINC000329629269 835471365 /nfs/dbraw/zinc/47/13/65/835471365.db2.gz VZEREVLJLAHTOK-AWEZNQCLSA-N 0 0 386.525 3.505 10 30 GHEERN O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)N1CCN(c2nc3ccccc3o2)CC1 ZINC000329690699 835707499 /nfs/dbraw/zinc/70/74/99/835707499.db2.gz WCPQMINVGVMKKN-SUMWQHHRSA-N 0 0 398.413 3.698 10 30 GHEERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCSC2=Nc2cccc(Cl)c2C)n1 ZINC000588590089 835789459 /nfs/dbraw/zinc/78/94/59/835789459.db2.gz DVEWFUMDWUBCIR-UHFFFAOYSA-N 0 0 393.856 3.650 10 30 GHEERN O=C(NC1CC(c2cccc(Cl)c2)C1)N1CCOCC2(CCOCC2)C1 ZINC000329764871 835901072 /nfs/dbraw/zinc/90/10/72/835901072.db2.gz WHKJLYUMOJYNKP-UHFFFAOYSA-N 0 0 378.900 3.629 10 30 GHEERN CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000180019395 836689388 /nfs/dbraw/zinc/68/93/88/836689388.db2.gz SDKUGBKZOVZQPU-MRXNPFEDSA-N 0 0 395.511 3.802 10 30 GHEERN CC(C)c1nnc2n1CCN(c1c(Br)cc(Cl)cc1C#N)C2 ZINC000408104753 840599444 /nfs/dbraw/zinc/59/94/44/840599444.db2.gz QXPKKURHMLSSFV-UHFFFAOYSA-N 0 0 380.677 3.709 10 30 GHEERN COCCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cn1 ZINC000329265228 861220150 /nfs/dbraw/zinc/22/01/50/861220150.db2.gz HAFOMHLCQJAAFW-GRLGQGAKSA-N 0 0 375.513 3.923 10 30 GHEERN O=C(NCC1(c2ccc(Br)s2)CCC1)N1CC[C@H](CCO)C1 ZINC000329351191 861314095 /nfs/dbraw/zinc/31/40/95/861314095.db2.gz UATNJMFBYMAJPE-GFCCVEGCSA-N 0 0 387.343 3.551 10 30 GHEERN Cc1nc(C[C@H]2CCCN(C([O-])=[NH+]CCc3ccc(F)cc3Cl)C2)no1 ZINC000329407126 861380358 /nfs/dbraw/zinc/38/03/58/861380358.db2.gz ZOBJRCWIMIWJRP-CYBMUJFWSA-N 0 0 380.851 3.582 10 30 GHEERN CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)C(C)=Cc1ccc([N+](=O)[O-])cc1 ZINC000588447702 843111973 /nfs/dbraw/zinc/11/19/73/843111973.db2.gz SVOKHBQACGNZBH-AINHQSCGSA-N 0 0 393.399 3.744 10 30 GHEERN COc1ccc(C(=O)/C=C\c2cncc(Br)c2)cc1NC(C)=O ZINC000588476992 844705321 /nfs/dbraw/zinc/70/53/21/844705321.db2.gz WDGOOGXIBAQZDL-HYXAFXHYSA-N 0 0 375.222 3.707 10 30 GHEERN CC(C)COc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)cc1 ZINC000329557409 861652167 /nfs/dbraw/zinc/65/21/67/861652167.db2.gz LDCACIPAQJWYHO-VRXWPRPYSA-N 0 0 390.524 3.558 10 30 GHEERN Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@H]2CCCN(c3ccnn3C)C2)cc1 ZINC000329949073 862448713 /nfs/dbraw/zinc/44/87/13/862448713.db2.gz LHAKYSPZACIUMV-ZJOUEHCJSA-N 0 0 382.508 3.822 10 30 GHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000330039955 862525178 /nfs/dbraw/zinc/52/51/78/862525178.db2.gz BZXAYPXPSVAWJP-JEBQAFNWSA-N 0 0 381.436 3.514 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@H](C)c1cccc(N3CCCC3)c1)CCC2 ZINC000328636389 854484981 /nfs/dbraw/zinc/48/49/81/854484981.db2.gz AHSZACVSMKCNLL-MJGOQNOKSA-N 0 0 381.524 3.934 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H](c1ccccc1)N1CCSCC1)CCC2 ZINC000328642371 854486943 /nfs/dbraw/zinc/48/69/43/854486943.db2.gz DTKKBDUSRZNKSK-RBUKOAKNSA-N 0 0 384.549 3.816 10 30 GHEERN C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000328694683 854511799 /nfs/dbraw/zinc/51/17/99/854511799.db2.gz SQWSXGJRZGIICI-ZMPRRUGASA-N 0 0 391.475 3.553 10 30 GHEERN O=C(Nc1ccccc1OC[C@@H]1CCCCO1)N1CCC[C@@H](n2cccn2)C1 ZINC000328774436 854536413 /nfs/dbraw/zinc/53/64/13/854536413.db2.gz SAEMZZFRANWBMY-MSOLQXFVSA-N 0 0 384.480 3.714 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CCCN(C(=O)c3ccc(C)cc3)C1)CCC2 ZINC000328856289 854579290 /nfs/dbraw/zinc/57/92/90/854579290.db2.gz XVCZAEIPJDDHME-PMACEKPBSA-N 0 0 394.519 3.886 10 30 GHEERN O=C(NC[C@@H]1CCCC[C@H]1O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1 ZINC000330132340 862602481 /nfs/dbraw/zinc/60/24/81/862602481.db2.gz LJFYFGPGWGBCEO-OBZTVWKBSA-N 0 0 387.455 3.597 10 30 GHEERN CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)C1 ZINC000330238623 862684063 /nfs/dbraw/zinc/68/40/63/862684063.db2.gz IAPLZWPECZZJOT-MRXNPFEDSA-N 0 0 392.525 3.527 10 30 GHEERN C#CCCOc1ccc(CN[C@H](c2nccn2C)c2ccc(OC)cc2)cc1 ZINC000113319191 857451264 /nfs/dbraw/zinc/45/12/64/857451264.db2.gz WMSQSARPVVFOJA-QFIPXVFZSA-N 0 0 375.472 3.710 10 30 GHEERN Cc1ccc(F)cc1NC(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000330351241 863055324 /nfs/dbraw/zinc/05/53/24/863055324.db2.gz MAJHCYVDVDYLAG-KRWDZBQOSA-N 0 0 384.455 3.828 10 30 GHEERN CC(=O)N1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2C)c2ccc(F)cc2C1 ZINC000185282464 859841714 /nfs/dbraw/zinc/84/17/14/859841714.db2.gz ZOTCWOSACOKNFV-LJQANCHMSA-N 0 0 380.423 3.621 10 30 GHEERN CN1CCO[C@H]2CCN(C(=O)Nc3cc(Cl)ccc3OC3CCCC3)C[C@H]21 ZINC000329045702 860972914 /nfs/dbraw/zinc/97/29/14/860972914.db2.gz PTGCSJUNHKZZKQ-MJGOQNOKSA-N 0 0 393.915 3.612 10 30 GHEERN Cc1nc(CC(C)C)sc1C(=O)N[C@H](c1nccn1C)C1CCOCC1 ZINC000329101820 861019212 /nfs/dbraw/zinc/01/92/12/861019212.db2.gz ZWCDLOGPECSDQW-INIZCTEOSA-N 0 0 376.526 3.856 10 30 GHEERN O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@@H]1CCCc2c(O)cccc21 ZINC000329187484 861115768 /nfs/dbraw/zinc/11/57/68/861115768.db2.gz BDTIYIUKTUNACZ-QBIMZIAESA-N 0 0 383.448 3.949 10 30 GHEERN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@H]3CCCOc4ccc(F)cc43)C2)no1 ZINC000329185936 861116150 /nfs/dbraw/zinc/11/61/50/861116150.db2.gz OUOFQFKOWHKKMR-YOEHRIQHSA-N 0 0 388.443 3.600 10 30 GHEERN C=CCOc1ccccc1C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185519937 883550007 /nfs/dbraw/zinc/55/00/07/883550007.db2.gz HNZBOAFUOCUWJB-FQEVSTJZSA-N 0 0 382.435 3.614 10 30 GHEERN C=CCOc1cccc(NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000056772298 888377625 /nfs/dbraw/zinc/37/76/25/888377625.db2.gz JZNSPLNAAODOIW-INIZCTEOSA-N 0 0 377.448 3.706 10 30 GHEERN N#CCCn1cc(C(=O)CN2CCC[C@@H]2C[C@@H](O)c2ccco2)c2ccccc21 ZINC000246594438 891290721 /nfs/dbraw/zinc/29/07/21/891290721.db2.gz MEEPGIJZPRDZSD-DYESRHJHSA-N 0 0 391.471 3.919 10 30 GHEERN C=C[C@](O)(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC)CCCC ZINC000030691329 209180914 /nfs/dbraw/zinc/18/09/14/209180914.db2.gz TWCQWABAGCMHLL-FQAGETMQSA-N 0 0 392.536 3.896 10 30 in-man GHEERN CC[C@@H](C)N1Cc2cc(NC(=O)c3ccc(C#N)cc3)ccc2O[C@H](C)C1=O ZINC000035908977 210699265 /nfs/dbraw/zinc/69/92/65/210699265.db2.gz OWRHWVWOSMLMLX-HUUCEWRRSA-N 0 0 377.444 3.719 10 30 GHEERN COc1ccc(-n2c3c(cc(C#N)c2=O)C(=O)C[C@@H](c2ccco2)C3)cc1Cl ZINC000032985485 210611668 /nfs/dbraw/zinc/61/16/68/210611668.db2.gz CXJWSRSOBJXLRH-LBPRGKRZSA-N 0 0 394.814 3.877 10 30 GHEERN COc1ccc(CN(Cc2cccc(OC)c2)C2=N/C(=N/CC(C)=O)S2)cc1 ZINC000020161531 570245469 /nfs/dbraw/zinc/24/54/69/570245469.db2.gz LFWDAFZDIOVCRW-XDOYNYLZSA-N 0 0 397.500 3.754 10 30 GHEERN O=C(C#Cc1ccccc1)N1CCC2(C[C@@H]2C(=O)NCCC2=CCCCC2)CC1 ZINC000012125614 570959613 /nfs/dbraw/zinc/95/96/13/570959613.db2.gz BATSICVDORBSCD-JOCHJYFZSA-N 0 0 390.527 3.674 10 30 GHEERN N#C[C@@H](C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc(F)cn1 ZINC000170649844 570985016 /nfs/dbraw/zinc/98/50/16/570985016.db2.gz KCWFLEYJEIHXGU-GFCCVEGCSA-N 0 0 376.269 3.780 10 30 GHEERN Cn1c(=O)sc2cc(/C=C\C(=O)c3cnn(Cc4ccccc4)c3)ccc21 ZINC000588598997 834541486 /nfs/dbraw/zinc/54/14/86/834541486.db2.gz MCPNKJBQXUVPJN-NTMALXAHSA-N 0 0 375.453 3.741 10 30 GHEERN CC(C)c1ccc([C@H](C)NC(=O)N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)cc1 ZINC000329247670 834620330 /nfs/dbraw/zinc/62/03/30/834620330.db2.gz WHIOUFYGIUPNNO-OXJNMPFZSA-N 0 0 397.523 3.715 10 30 GHEERN O=C1/C(=C/c2cocn2)CN(Cc2ccccc2Cl)C/C1=C\c1cocn1 ZINC000588579194 834659640 /nfs/dbraw/zinc/65/96/40/834659640.db2.gz YONDMJOFJMCDGQ-IAGONARPSA-N 0 0 381.819 3.868 10 30 GHEERN Cc1ccc(NS(C)(=O)=O)c(NC(=O)[C@H]2C[C@@]23CCOc2ccccc23)c1 ZINC000329599253 835329030 /nfs/dbraw/zinc/32/90/30/835329030.db2.gz JSMMYPVDQKRTEX-FOIQADDNSA-N 0 0 386.473 3.695 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H](c3ccccc3C)C3CC3)C2)nn1 ZINC000329641343 835507404 /nfs/dbraw/zinc/50/74/04/835507404.db2.gz ZSBYZOWBOYAJSQ-GHTZIAJQSA-N 0 0 379.508 3.717 10 30 GHEERN CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000329704098 835731592 /nfs/dbraw/zinc/73/15/92/835731592.db2.gz JFVUFPHOMWCSDO-WRQOLXDDSA-N 0 0 392.462 3.785 10 30 GHEERN Cc1ccc(NC(=O)[C@H]2C[C@@]23CCOc2ccccc23)cc1NS(C)(=O)=O ZINC000329707250 835735842 /nfs/dbraw/zinc/73/58/42/835735842.db2.gz KKXZCEBCLGXSGN-OXQOHEQNSA-N 0 0 386.473 3.695 10 30 GHEERN COc1ccnc(N2CCC(C(=O)Nc3cc(C(C)(C)C)sc3C#N)CC2)n1 ZINC000179542407 835869543 /nfs/dbraw/zinc/86/95/43/835869543.db2.gz KMLLWMZGXKLNMY-UHFFFAOYSA-N 0 0 399.520 3.571 10 30 GHEERN CCC1CCC(NC(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2cc(C)no2)CC1 ZINC000329923671 836061594 /nfs/dbraw/zinc/06/15/94/836061594.db2.gz HCYLKLBTCQDOBD-IKJBURDNSA-N 0 0 380.508 3.710 10 30 GHEERN Cc1nc(C)n(C[C@@H]2CCCN(c3c(C#N)cnc4c(C)cc(F)cc43)C2)n1 ZINC000301418873 841179541 /nfs/dbraw/zinc/17/95/41/841179541.db2.gz RPWXORWBDJKXGY-MRXNPFEDSA-N 0 0 378.455 3.679 10 30 GHEERN O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330288878 843517349 /nfs/dbraw/zinc/51/73/49/843517349.db2.gz DITSARSTPJEYFN-VGDUNAEUSA-N 0 0 393.325 3.846 10 30 GHEERN C[C@@H](NC(=O)NC1CCN(c2cccnn2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000330295256 843554755 /nfs/dbraw/zinc/55/47/55/843554755.db2.gz FQGZEHDZYOIKMI-NOCBQHASSA-N 0 0 383.540 3.554 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)C[C@@H]3Sc4ccccc4NC3=O)C2)nn1 ZINC000329565027 861671596 /nfs/dbraw/zinc/67/15/96/861671596.db2.gz HDMISVPDPYMACH-YOEHRIQHSA-N 0 0 397.504 3.863 10 30 GHEERN COc1ccc([C@@H]2CCCN2C(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)cc1 ZINC000329567824 861673469 /nfs/dbraw/zinc/67/34/69/861673469.db2.gz HUKFDTKJTCKMMO-ICSRJNTNSA-N 0 0 395.507 3.514 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CCCO[C@H]3c3ccccc3)C2)nn1 ZINC000329580301 861708154 /nfs/dbraw/zinc/70/81/54/861708154.db2.gz KXMNWHIWHFQVLO-ZVDOUQERSA-N 0 0 380.492 3.878 10 30 GHEERN Cc1cc(N2CCC[C@H](N[C@@H]3CCC[C@H]3C#N)C2=O)ccc1Br ZINC000333553175 846707767 /nfs/dbraw/zinc/70/77/67/846707767.db2.gz FXYLCHHGHKHKDX-XKQJLSEDSA-N 0 0 376.298 3.535 10 30 GHEERN Cc1nc(C)n(C[C@H]2CCCN(C([O-])=[NH+]CCc3ccc(F)cc3Cl)C2)n1 ZINC000329611931 861774120 /nfs/dbraw/zinc/77/41/20/861774120.db2.gz CINUOEOEDXATQS-HNNXBMFYSA-N 0 0 393.894 3.556 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCc4cc(Cl)ccc43)C2)nn1 ZINC000329613317 861775852 /nfs/dbraw/zinc/77/58/52/861775852.db2.gz RURLQLHXGLUKHU-WMZOPIPTSA-N 0 0 385.899 3.598 10 30 GHEERN CN(C([O-])=[NH+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@@H]1CCc2ccccc2C1 ZINC000329713931 862207528 /nfs/dbraw/zinc/20/75/28/862207528.db2.gz SFFZJRRPSCQOCW-QRVBRYPASA-N 0 0 396.491 3.570 10 30 GHEERN O=C(N[C@@H]1CCCc2ccc(F)cc21)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000329940155 862440213 /nfs/dbraw/zinc/44/02/13/862440213.db2.gz UGSTYYLQOHRPOZ-MSOLQXFVSA-N 0 0 388.464 3.625 10 30 GHEERN CC1(C)C[C@@H](NC(=O)CSCC(=O)N2CCCCC2)c2ccccc2O1 ZINC000329958810 862456142 /nfs/dbraw/zinc/45/61/42/862456142.db2.gz MUWMBUOLKDGDGX-MRXNPFEDSA-N 0 0 376.522 3.991 10 30 GHEERN C[C@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)CC12CCCCC2 ZINC000330055384 862537641 /nfs/dbraw/zinc/53/76/41/862537641.db2.gz UHNLULUBWIZKMG-WDYCEAGBSA-N 0 0 387.528 3.786 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CCN(c3cccc(Cl)c3)C1=O)CCC2 ZINC000328637705 854486336 /nfs/dbraw/zinc/48/63/36/854486336.db2.gz BDEYJKHMLPFQGW-WMLDXEAASA-N 0 0 386.883 3.732 10 30 GHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000328723438 854503921 /nfs/dbraw/zinc/50/39/21/854503921.db2.gz YBTSUTPFTDMSOU-LSDHHAIUSA-N 0 0 375.856 3.691 10 30 GHEERN O=C(Nc1ccccc1OC[C@H]1CCCCO1)N1CCC[C@H](n2cccn2)C1 ZINC000328774442 854536138 /nfs/dbraw/zinc/53/61/38/854536138.db2.gz SAEMZZFRANWBMY-ZWKOTPCHSA-N 0 0 384.480 3.714 10 30 GHEERN C[C@H](NC(=O)[C@H]1CCO[C@@H]1c1cccnc1)C1CCN(CC(F)(F)F)CC1 ZINC000328788499 854558028 /nfs/dbraw/zinc/55/80/28/854558028.db2.gz XTUQVHLGUJURLP-RRQGHBQHSA-N 0 0 385.430 3.779 10 30 GHEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1C[C@@H](c3ccccc3)[C@H](C#N)C1)C2 ZINC000330190758 862649314 /nfs/dbraw/zinc/64/93/14/862649314.db2.gz MPWXILFGOMGWQW-QYZOEREBSA-N 0 0 391.519 3.649 10 30 GHEERN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NCC(C)(C)c1ccc2c(c1)OCO2 ZINC000329028854 860958348 /nfs/dbraw/zinc/95/83/48/860958348.db2.gz PALOPUUMXYIIKN-DNVCBOLYSA-N 0 0 385.464 3.551 10 30 GHEERN CC(C)COc1ccc([C@H](C)NC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000329122841 861040643 /nfs/dbraw/zinc/04/06/43/861040643.db2.gz RJXKLTSOBXPABA-YRISNDGFSA-N 0 0 376.497 3.624 10 30 GHEERN COc1cc(/C=C/C(=O)N2CCC(OCC3CCCC3)CC2)ccc1OCC#N ZINC000175612080 882603897 /nfs/dbraw/zinc/60/38/97/882603897.db2.gz ZCUXGSSPOOWVGA-VQHVLOKHSA-N 0 0 398.503 3.809 10 30 GHEERN N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102928820 884633941 /nfs/dbraw/zinc/63/39/41/884633941.db2.gz PSLBZMSWBBABDI-QGZVFWFLSA-N 0 0 383.835 3.716 10 30 GHEERN CN(CC(=O)NC(C)(C)C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000105040103 887295181 /nfs/dbraw/zinc/29/51/81/887295181.db2.gz UTXWBDSGNBGKFZ-UHFFFAOYSA-N 0 0 380.448 3.729 10 30 GHEERN Cc1nc(C#N)c(N2CCC(C(=O)N3CC=C(c4ccccc4F)CC3)CC2)o1 ZINC000193837885 887780865 /nfs/dbraw/zinc/78/08/65/887780865.db2.gz XMBNISLIBXRRHX-UHFFFAOYSA-N 0 0 394.450 3.526 10 30 GHEERN COc1cc(/C=C/C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)ccc1OCC#N ZINC000062516593 888507920 /nfs/dbraw/zinc/50/79/20/888507920.db2.gz JHXQOFVTWLZQOJ-KKUFYXIZSA-N 0 0 392.455 3.599 10 30 GHEERN CCCCCOc1nc(SC)ncc1OCC#CI ZINC000048546142 903788925 /nfs/dbraw/zinc/78/89/25/903788925.db2.gz IWCWFPBZZZELAM-UHFFFAOYSA-N 0 0 392.262 3.542 10 30 GHEERN CNC(=O)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccccc2)S1 ZINC000006179116 209634536 /nfs/dbraw/zinc/63/45/36/209634536.db2.gz UNNSIOSWBACRNB-VFOOBRQFSA-N 0 0 387.892 3.608 10 30 GHEERN CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N(Cc1ccccc1C#N)C1CC1 ZINC000095086163 211218116 /nfs/dbraw/zinc/21/81/16/211218116.db2.gz OYERRBBPOVJCBE-LJQANCHMSA-N 0 0 383.492 3.839 10 30 GHEERN O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000100040714 527354654 /nfs/dbraw/zinc/35/46/54/527354654.db2.gz NQSNHWIJOQEYJR-XDHOZWIPSA-N 0 0 393.852 3.783 10 30 GHEERN O=[N+]([O-])c1ccccc1/C=N/c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000100037063 527397824 /nfs/dbraw/zinc/39/78/24/527397824.db2.gz CDUIUMNMCZVHDQ-HMMYKYKNSA-N 0 0 387.461 3.910 10 30 GHEERN Cc1nc([C@H](NC(=O)/C=C/c2cccc(C#N)c2)c2ccc(Cl)cc2)no1 ZINC000180620668 837403836 /nfs/dbraw/zinc/40/38/36/837403836.db2.gz GDUSIHHWOXONDO-CEQQRPIWSA-N 0 0 378.819 3.822 10 30 GHEERN CCc1csc([C@H]2CCCN(C(=O)NCc3cn4ccc(C)cc4n3)C2)n1 ZINC000329588634 835306344 /nfs/dbraw/zinc/30/63/44/835306344.db2.gz YZWVXRLKCGDPGY-HNNXBMFYSA-N 0 0 383.521 3.955 10 30 GHEERN C[C@H](NC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1)c1cccc(Cl)c1 ZINC000329636140 835485870 /nfs/dbraw/zinc/48/58/70/835485870.db2.gz UWMWLACJEQXZHH-AWEZNQCLSA-N 0 0 384.929 3.748 10 30 GHEERN Cc1ccc([C@@H]2CN(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)CCO2)o1 ZINC000158728452 835521836 /nfs/dbraw/zinc/52/18/36/835521836.db2.gz MXVMBYVARAXMOL-KXBFYZLASA-N 0 0 399.516 3.852 10 30 GHEERN Cc1cccc([C@@H]2CCCN2C(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)c1 ZINC000329697717 835719970 /nfs/dbraw/zinc/71/99/70/835719970.db2.gz YMOHNAUFLRVNFJ-UXHICEINSA-N 0 0 379.508 3.813 10 30 GHEERN CN(C(=O)NC1CC(c2cccc(Cl)c2)C1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000329780691 835937708 /nfs/dbraw/zinc/93/77/08/835937708.db2.gz SADKWCSFTJTAEN-NKELODKYSA-N 0 0 399.926 3.891 10 30 GHEERN Cc1nc([C@@H](C)NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cs1 ZINC000328639318 836516037 /nfs/dbraw/zinc/51/60/37/836516037.db2.gz BYDTXHRFPDJJTJ-DYVFJYSZSA-N 0 0 393.534 3.631 10 30 GHEERN COc1cc2nc(C)sc2cc1NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000330134388 839756895 /nfs/dbraw/zinc/75/68/95/839756895.db2.gz RYURRMSBZIPSDV-BFUOFWGJSA-N 0 0 375.494 3.786 10 30 GHEERN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000330239743 841329691 /nfs/dbraw/zinc/32/96/91/841329691.db2.gz BGNNQRHQZPWAGM-LPHOPBHVSA-N 0 0 391.537 3.590 10 30 GHEERN CON=Cc1ccc(C(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)cc1 ZINC000588420685 841867929 /nfs/dbraw/zinc/86/79/29/841867929.db2.gz GGIJBBAWGWBRPF-GOSISDBHSA-N 0 0 392.377 3.899 10 30 GHEERN Cc1ccc([C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)C2CC2)cc1 ZINC000329684915 862054491 /nfs/dbraw/zinc/05/44/91/862054491.db2.gz ULZYSLURSOBIMV-CTNGQTDRSA-N 0 0 379.508 3.717 10 30 GHEERN C[C@@H]1CC(CNC(=O)N2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)C[C@@H](C)O1 ZINC000329804730 862333090 /nfs/dbraw/zinc/33/30/90/862333090.db2.gz MHDRSAIRAXJORG-IIDMSEBBSA-N 0 0 383.496 3.726 10 30 GHEERN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)C[C@H]2CCCCNC2=O)c1C ZINC000329834051 862358478 /nfs/dbraw/zinc/35/84/78/862358478.db2.gz LLHVDTZNOMBHNL-WBVHZDCISA-N 0 0 389.521 3.940 10 30 GHEERN O=C(N[C@H]1CCC(=O)NC12CCC2)N1CCC(CN2CCc3ccccc32)CC1 ZINC000328738404 854522572 /nfs/dbraw/zinc/52/25/72/854522572.db2.gz KTRQZNHWBRIGGT-FQEVSTJZSA-N 0 0 396.535 3.717 10 30 GHEERN O=C(CN1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1)Nc1nc2c(s1)CCCC2 ZINC000328882658 854596585 /nfs/dbraw/zinc/59/65/85/854596585.db2.gz LXMBPSDFABXPLB-BLLLJJGKSA-N 0 0 393.459 3.696 10 30 GHEERN CN1CCO[C@H]2CCN(C(=O)Nc3ccc(OC4CCCC4)c(Cl)c3)C[C@H]21 ZINC000328966402 854635679 /nfs/dbraw/zinc/63/56/79/854635679.db2.gz SOFWGXXRMDKQDZ-MJGOQNOKSA-N 0 0 393.915 3.612 10 30 GHEERN CN1CCO[C@H]2CCN(C(=O)Nc3ccc4nc(C(C)(C)C)sc4c3)C[C@@H]21 ZINC000328999871 854646132 /nfs/dbraw/zinc/64/61/32/854646132.db2.gz GNOYDQKQONXWJH-HOTGVXAUSA-N 0 0 388.537 3.544 10 30 GHEERN O=C(N[C@H]1CC[C@H](CO)CC1)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1 ZINC000330186617 862644812 /nfs/dbraw/zinc/64/48/12/862644812.db2.gz SEYAMBKFKAYVHB-QQDKQVRDSA-N 0 0 387.455 3.597 10 30 GHEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000330260162 862703096 /nfs/dbraw/zinc/70/30/96/862703096.db2.gz NYPOFSBZMSURJI-YSVLISHTSA-N 0 0 377.872 3.543 10 30 GHEERN CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000192947903 855847857 /nfs/dbraw/zinc/84/78/57/855847857.db2.gz MDIVCSYCCZYCNF-ZFWWWQNUSA-N 0 0 381.398 3.664 10 30 GHEERN N#Cc1c2c(sc1NC(=O)C1CCN(C(=O)c3ccc(F)cc3)CC1)CCC2 ZINC000069610732 859596398 /nfs/dbraw/zinc/59/63/98/859596398.db2.gz MBPWUAIWFNHSIF-UHFFFAOYSA-N 0 0 397.475 3.738 10 30 GHEERN COc1cc(NC2CCN(C(=O)/C=C/c3cccc(C#N)c3)CC2)cc(OC)c1 ZINC000124667966 860461081 /nfs/dbraw/zinc/46/10/81/860461081.db2.gz FZFHCPFNJUVKRX-VOTSOKGWSA-N 0 0 391.471 3.692 10 30 GHEERN CN1CCO[C@H]2CCN(C(=O)Nc3cc(F)ccc3Oc3ccccc3)C[C@H]21 ZINC000329012185 860947563 /nfs/dbraw/zinc/94/75/63/860947563.db2.gz IOJRNQQYFVXYKC-QUCCMNQESA-N 0 0 385.439 3.568 10 30 GHEERN Cc1noc([C@H](NC(=O)N[C@H](C)c2ccc(F)c(Cl)c2)C2CCOCC2)n1 ZINC000329142765 861062326 /nfs/dbraw/zinc/06/23/26/861062326.db2.gz VFYIGCHJJHBBAV-QLJPJBMISA-N 0 0 396.850 3.903 10 30 GHEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(OCc2nccn2C)cc1 ZINC000186017914 864023969 /nfs/dbraw/zinc/02/39/69/864023969.db2.gz XIKACXONKOFFFE-INIZCTEOSA-N 0 0 399.458 3.625 10 30 GHEERN C#CCOc1ccc([C@H](C)N[C@H](c2nccn2C)c2ccc(OC)cc2)cc1 ZINC000129074868 887256268 /nfs/dbraw/zinc/25/62/68/887256268.db2.gz XDZGEOALKHCPTA-JTSKRJEESA-N 0 0 375.472 3.881 10 30 GHEERN N#C[C@]1(c2nc(-c3cn4ccc(Br)cc4n3)no2)CC12CCCC2 ZINC000333853754 902372841 /nfs/dbraw/zinc/37/28/41/902372841.db2.gz QALXSJNFIIROGN-KRWDZBQOSA-N 0 0 384.237 3.872 10 30 GHEERN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(F)cc(OC)cc1F ZINC000253495208 522879058 /nfs/dbraw/zinc/87/90/58/522879058.db2.gz JXVYAHOOIYWYFV-LJQANCHMSA-N 0 0 391.414 3.750 10 30 GHEERN COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000102532088 524169414 /nfs/dbraw/zinc/16/94/14/524169414.db2.gz NOOQLZDJJVOQJU-LCPUNJGISA-N 0 0 389.407 3.910 10 30 GHEERN Cc1nn(C)c(C)c1/C=C(\C(=O)c1ccc(Cl)cc1Cl)n1cncn1 ZINC000017282447 527603145 /nfs/dbraw/zinc/60/31/45/527603145.db2.gz UCMSTUMWKSZJNU-FRKPEAEDSA-N 0 0 376.247 3.816 10 30 GHEERN COc1ccc(NC(=NC(=O)c2ccc(Cl)cc2)NC[C@H]2CCCO2)cc1 ZINC000046130840 570211628 /nfs/dbraw/zinc/21/16/28/570211628.db2.gz WVQBYWLZIUTHFP-GOSISDBHSA-N 0 0 387.867 3.726 10 30 GHEERN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H]2CCc3ccccc32)CC1 ZINC000329206023 834556186 /nfs/dbraw/zinc/55/61/86/834556186.db2.gz XZFDPNQCUFCIEU-NRFANRHFSA-N 0 0 391.515 3.766 10 30 GHEERN CC(C)c1nnc([C@@H]2CN(C(=O)N[C@H](C)c3ccc(Cl)s3)CCO2)o1 ZINC000329904203 835929773 /nfs/dbraw/zinc/92/97/73/835929773.db2.gz IWXMQSAINGUTET-MNOVXSKESA-N 0 0 384.889 3.956 10 30 GHEERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCc2c(C)c(C)c(C)c(C)c2C)C1 ZINC000330172645 838249349 /nfs/dbraw/zinc/24/93/49/838249349.db2.gz GOWOFCYSBCEHJW-PKOBYXMFSA-N 0 0 386.496 3.796 10 30 GHEERN Cc1ccc([C@@H]2CN(C(=O)c3occc3COc3cccc(C#N)c3)CCO2)o1 ZINC000127138104 838291246 /nfs/dbraw/zinc/29/12/46/838291246.db2.gz YXTUTMJZOHESGG-FQEVSTJZSA-N 0 0 392.411 3.845 10 30 GHEERN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CCC[C@@H](C(C)C)CC2)cn1 ZINC000330191978 838874475 /nfs/dbraw/zinc/87/44/75/838874475.db2.gz XMMNIYJBVYXYQW-SUMDDJOVSA-N 0 0 375.517 3.735 10 30 GHEERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000330200253 839137668 /nfs/dbraw/zinc/13/76/68/839137668.db2.gz ACGKGXCDMVCPPY-FQLMCAECSA-N 0 0 380.476 3.913 10 30 GHEERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)N1CC[C@@H](C2CCOCC2)C1 ZINC000329347812 861310820 /nfs/dbraw/zinc/31/08/20/861310820.db2.gz CNEGODSGXZAAAC-BHIYHBOVSA-N 0 0 378.900 3.833 10 30 GHEERN C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000408337778 842570939 /nfs/dbraw/zinc/57/09/39/842570939.db2.gz HQUXWYZUYIIWDM-DABHTEOTSA-N 0 0 379.504 3.579 10 30 GHEERN COCCn1cc2c(n1)[C@H](NC(=O)N[C@@H]1CCc3cc(Cl)ccc31)CCC2 ZINC000329544161 861626797 /nfs/dbraw/zinc/62/67/97/861626797.db2.gz YREGCXQZBSZCIE-QZTJIDSGSA-N 0 0 388.899 3.751 10 30 GHEERN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)[C@H]2CCCO[C@@H]2c2ccccc2)C1 ZINC000329564819 861670950 /nfs/dbraw/zinc/67/09/50/861670950.db2.gz SKMUAMQXDXBEAD-LVCYWYKZSA-N 0 0 396.491 3.892 10 30 GHEERN COc1ccccc1[C@H]1C[C@@H](C)CCN1C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329563890 861670990 /nfs/dbraw/zinc/67/09/90/861670990.db2.gz SCTKWYAZVBMIOZ-TYYYZTEESA-N 0 0 388.508 3.720 10 30 GHEERN CC(=O)N1C[C@H](CCC(=O)N[C@@H](C)c2nnc3n2CCCC3)c2ccccc21 ZINC000329630313 861851133 /nfs/dbraw/zinc/85/11/33/861851133.db2.gz QVXYBNDSKXXBHY-HOCLYGCPSA-N 0 0 381.480 3.562 10 30 GHEERN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)CC[C@@H]2CN(C(C)=O)c3ccccc32)C1 ZINC000329637682 861859564 /nfs/dbraw/zinc/85/95/64/861859564.db2.gz VSIDPUIBVWVEJV-ZRTFKTCCSA-N 0 0 390.549 3.953 10 30 GHEERN CCc1nc(C)c([C@@H](C)N(C)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)s1 ZINC000328612876 854482588 /nfs/dbraw/zinc/48/25/88/854482588.db2.gz PWGXBWQPGXCGMR-OAGGEKHMSA-N 0 0 392.569 3.712 10 30 GHEERN Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000328688679 854509016 /nfs/dbraw/zinc/50/90/16/854509016.db2.gz CTHWQAVQPKNELF-PMPSAXMXSA-N 0 0 391.560 3.705 10 30 GHEERN CN1CC[C@H](NC(=O)N[C@@H]2CCC(=O)NC2(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328714298 854519374 /nfs/dbraw/zinc/51/93/74/854519374.db2.gz CIVMGBRXOYISRL-UXLLHSPISA-N 0 0 396.894 3.625 10 30 GHEERN Cc1cccc(Oc2ccccc2NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c1 ZINC000328956950 854615947 /nfs/dbraw/zinc/61/59/47/854615947.db2.gz NWEKOLBXSHGYSO-PZJWPPBQSA-N 0 0 381.476 3.738 10 30 GHEERN Cn1cc([C@H]2[C@H](CNC(=O)[C@@H]3CCC(F)(F)C3)CC(=O)N2C(C)(C)C)cn1 ZINC000330131321 862600912 /nfs/dbraw/zinc/60/09/12/862600912.db2.gz FPCDOFFDDLCCEE-DVOMOZLQSA-N 0 0 382.455 3.500 10 30 GHEERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@H](CC(C)C)c2cccs2)C1 ZINC000330171858 862633438 /nfs/dbraw/zinc/63/34/38/862633438.db2.gz FVYFZSLGEIHSLU-RRFJBIMHSA-N 0 0 378.498 3.903 10 30 GHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000330184487 862643759 /nfs/dbraw/zinc/64/37/59/862643759.db2.gz INAKLAANXYAVFA-UKBAYJJMSA-N 0 0 388.899 3.553 10 30 GHEERN CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000173373742 856895841 /nfs/dbraw/zinc/89/58/41/856895841.db2.gz FDIDGJINKJWDCJ-UHFFFAOYSA-N 0 0 391.519 3.852 10 30 GHEERN Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CC[C@@H](c3nc(C4CC4)no3)C2)c(C)c1 ZINC000329067670 860988844 /nfs/dbraw/zinc/98/88/44/860988844.db2.gz XDPSVAYCNSGQSW-GOEBONIOSA-N 0 0 397.479 3.944 10 30 GHEERN C[C@H](NC(=O)C[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1)c1ccccc1 ZINC000329096078 861012586 /nfs/dbraw/zinc/01/25/86/861012586.db2.gz BNVZTVQFGKVUHC-AZUAARDMSA-N 0 0 383.536 3.819 10 30 GHEERN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329112947 861031973 /nfs/dbraw/zinc/03/19/73/861031973.db2.gz KZLJAHRXXGDRGB-CFLQYTFWSA-N 0 0 394.899 3.964 10 30 GHEERN Cc1ccc(OCc2ccccc2)c(NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c1 ZINC000329137063 861055288 /nfs/dbraw/zinc/05/52/88/861055288.db2.gz RFMOWCBYJLUNOL-RBBKRZOGSA-N 0 0 395.503 3.524 10 30 GHEERN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCc2cncnc2C1 ZINC000329165889 861092013 /nfs/dbraw/zinc/09/20/13/861092013.db2.gz HRDYTXSPOVOCKL-ZDUSSCGKSA-N 0 0 381.505 3.713 10 30 GHEERN Cc1noc([C@H](NC(=O)N[C@@H]2CCCc3cc(F)ccc32)C2CCOCC2)n1 ZINC000329205622 861139002 /nfs/dbraw/zinc/13/90/02/861139002.db2.gz XBMNGSMCWSEYNQ-QZTJIDSGSA-N 0 0 388.443 3.566 10 30 GHEERN COc1cc(/C=C/C(=O)N[C@H](c2ccccc2)c2cccnc2)ccc1OCC#N ZINC000171230448 882091045 /nfs/dbraw/zinc/09/10/45/882091045.db2.gz LGBTUYLDHMLPCX-IYNHSRRRSA-N 0 0 399.450 3.912 10 30 GHEERN Cc1cccc2c1OCC[C@@H]2NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000189954456 884026386 /nfs/dbraw/zinc/02/63/86/884026386.db2.gz DQNIDSQWGFLKQI-FQEVSTJZSA-N 0 0 391.471 3.662 10 30 GHEERN N#Cc1ccc(Oc2cccc(NC(=O)Cn3cnc4ccccc4c3=O)c2)cc1 ZINC000104416748 885445327 /nfs/dbraw/zinc/44/53/27/885445327.db2.gz KHXNNSNZLHCCAX-UHFFFAOYSA-N 0 0 396.406 3.699 10 30 GHEERN C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 ZINC000248622813 891446644 /nfs/dbraw/zinc/44/66/44/891446644.db2.gz YIBCSAPCWMBNPT-JFIYKMOQSA-N 0 0 377.444 3.526 10 30 GHEERN COc1cc(/C=C/C(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)ccc1OCC#N ZINC000182257176 1014569152 /nfs/dbraw/zinc/56/91/52/1014569152.db2.gz DXBHNNYNYUGTAG-CGLHPVKESA-N 0 0 377.444 3.615 10 30 GHEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H]2CCc3cc(Br)ccc32)no1 ZINC000329358066 834907197 /nfs/dbraw/zinc/90/71/97/834907197.db2.gz GDFBGXQBCQORLL-GJZGRUSLSA-N 0 0 391.269 3.879 10 30 GHEERN Cc1ccc(NS(C)(=O)=O)c(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)c1 ZINC000329599256 835329283 /nfs/dbraw/zinc/32/92/83/835329283.db2.gz JSMMYPVDQKRTEX-MGPUTAFESA-N 0 0 386.473 3.695 10 30 GHEERN Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(Cl)c4cccnc34)C2)nn1 ZINC000329623606 835447574 /nfs/dbraw/zinc/44/75/74/835447574.db2.gz UVXFBCPJXPTGFT-CQSZACIVSA-N 0 0 381.867 3.960 10 30 GHEERN Cc1nc2ccc(NC(=O)N[C@H]3CCCN(c4ccc(C)nn4)C3)cc2s1 ZINC000329683403 835675029 /nfs/dbraw/zinc/67/50/29/835675029.db2.gz TUYMZNUMBAWCNX-HNNXBMFYSA-N 0 0 382.493 3.507 10 30 GHEERN CC(C)c1nnc([C@@H]2CN(C(=O)N[C@@H](C)c3ccc(Cl)s3)CCO2)o1 ZINC000329904204 835929741 /nfs/dbraw/zinc/92/97/41/835929741.db2.gz IWXMQSAINGUTET-QWRGUYRKSA-N 0 0 384.889 3.956 10 30 GHEERN Cc1csc(-c2cccc(S(=O)(=O)N3CCCC(C)(C)[C@H]3C#N)c2)n1 ZINC000407960369 838248896 /nfs/dbraw/zinc/24/88/96/838248896.db2.gz XRAZCARTYDDDKQ-MRXNPFEDSA-N 0 0 375.519 3.821 10 30 GHEERN N#Cc1ccc(CSCC(=O)N2CC3(CCOCC3)c3ccccc32)cc1 ZINC000189793724 838409847 /nfs/dbraw/zinc/40/98/47/838409847.db2.gz QQXAPRCWFGPROH-UHFFFAOYSA-N 0 0 378.497 3.886 10 30 GHEERN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CCC[C@H](C(C)C)CC2)cn1 ZINC000330191979 838874756 /nfs/dbraw/zinc/87/47/56/838874756.db2.gz XMMNIYJBVYXYQW-WDYCEAGBSA-N 0 0 375.517 3.735 10 30 GHEERN N#Cc1cccc(C(=O)N2CCO[C@H](C3CCCCC3)C2)c1Br ZINC000408459254 844383851 /nfs/dbraw/zinc/38/38/51/844383851.db2.gz XEZWFFLULAEEIR-INIZCTEOSA-N 0 0 377.282 3.742 10 30 GHEERN Cn1cc([C@@H]2CCCN2C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)cn1 ZINC000328970563 843263350 /nfs/dbraw/zinc/26/33/50/843263350.db2.gz UVFLGKQKDZHMIN-QPRVAFDKSA-N 0 0 384.524 3.647 10 30 GHEERN O=C(C[C@@H]1CCCCNC1=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000329465044 861479920 /nfs/dbraw/zinc/47/99/20/861479920.db2.gz VHSMLPXBNVYOMN-WMZOPIPTSA-N 0 0 393.915 3.817 10 30 GHEERN COCCn1cc2c(n1)[C@H](NC(=O)N[C@H]1CCc3cc(Cl)ccc31)CCC2 ZINC000329544162 861627021 /nfs/dbraw/zinc/62/70/21/861627021.db2.gz YREGCXQZBSZCIE-ZWKOTPCHSA-N 0 0 388.899 3.751 10 30 GHEERN Cc1ccc([C@H](NC(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)C2CC2)cc1 ZINC000329684916 862054904 /nfs/dbraw/zinc/05/49/04/862054904.db2.gz ULZYSLURSOBIMV-FPOVZHCZSA-N 0 0 379.508 3.717 10 30 GHEERN Cc1ccc(N2CCC[C@@H](NC(=O)N(C)[C@H]3CCCC[C@H]3C(F)(F)F)C2)nn1 ZINC000329771888 862313001 /nfs/dbraw/zinc/31/30/01/862313001.db2.gz KEVHMTMQQRDETA-OAGGEKHMSA-N 0 0 399.461 3.721 10 30 GHEERN CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)N[C@H]1C[C@H](c2ccccc2C)C1 ZINC000329775866 862315082 /nfs/dbraw/zinc/31/50/82/862315082.db2.gz NLNFNHRVOROSAZ-ZULIPRJHSA-N 0 0 382.508 3.881 10 30 GHEERN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)N[C@H]3CCC(=O)NC34CCC4)nc2c1 ZINC000328721602 854504119 /nfs/dbraw/zinc/50/41/19/854504119.db2.gz WZLMRIVYNDTPNL-IRXDYDNUSA-N 0 0 381.480 3.964 10 30 GHEERN CCc1ccccc1N1C[C@H](C(=O)NC[C@H]2CCCn3cc(C)nc32)CC1=O ZINC000328832954 854566513 /nfs/dbraw/zinc/56/65/13/854566513.db2.gz RSJYQWNBCWIJLB-QZTJIDSGSA-N 0 0 380.492 3.641 10 30 GHEERN CN1CCO[C@H]2CCN(C(=O)Nc3ccc4nc(C(C)(C)C)sc4c3)C[C@H]21 ZINC000328999870 854646605 /nfs/dbraw/zinc/64/66/05/854646605.db2.gz GNOYDQKQONXWJH-CVEARBPZSA-N 0 0 388.537 3.544 10 30 GHEERN CN1CCO[C@@H]2CCN(C(=O)Nc3ccc4nc(C(C)(C)C)sc4c3)C[C@H]21 ZINC000328999874 854646694 /nfs/dbraw/zinc/64/66/94/854646694.db2.gz GNOYDQKQONXWJH-HZPDHXFCSA-N 0 0 388.537 3.544 10 30 GHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000330119813 862589755 /nfs/dbraw/zinc/58/97/55/862589755.db2.gz AWLQHURUAIICKO-RVZJWNSFSA-N 0 0 392.862 3.526 10 30 GHEERN N#Cc1ccccc1N1CCCN(C(=O)NC2CCC(C(F)(F)F)CC2)CC1 ZINC000045464433 854913292 /nfs/dbraw/zinc/91/32/92/854913292.db2.gz XHBQSRRVUFYTNQ-UHFFFAOYSA-N 0 0 394.441 3.901 10 30 GHEERN CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000330317305 862868110 /nfs/dbraw/zinc/86/81/10/862868110.db2.gz BMRSBMWFKITYOG-OYNPSCLESA-N 0 0 387.572 3.618 10 30 GHEERN O=C(N[C@@H]1CCCc2occc21)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000330321686 862902939 /nfs/dbraw/zinc/90/29/39/862902939.db2.gz GDOOPIUXEGQWNO-FUHWJXTLSA-N 0 0 396.491 3.720 10 30 GHEERN Cc1ccc(F)cc1NC(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000330351242 863056593 /nfs/dbraw/zinc/05/65/93/863056593.db2.gz MAJHCYVDVDYLAG-QGZVFWFLSA-N 0 0 384.455 3.828 10 30 GHEERN C[C@H]1OCC[C@H]1NC(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000330355623 863063087 /nfs/dbraw/zinc/06/30/87/863063087.db2.gz QSZXFWZODPRLGK-DAXOMENPSA-N 0 0 386.414 3.949 10 30 GHEERN CN1CCO[C@H]2CCN(C(=O)Nc3ccccc3Oc3cccc(F)c3)C[C@@H]21 ZINC000329042263 860969878 /nfs/dbraw/zinc/96/98/78/860969878.db2.gz TVXFEVNURCIGLG-ICSRJNTNSA-N 0 0 385.439 3.568 10 30 GHEERN CN1CCO[C@H]2CCN(C(=O)Nc3cc(Cl)ccc3OC3CCCC3)C[C@@H]21 ZINC000329045700 860974065 /nfs/dbraw/zinc/97/40/65/860974065.db2.gz PTGCSJUNHKZZKQ-HKUYNNGSSA-N 0 0 393.915 3.612 10 30 GHEERN Cc1noc([C@@H]2CCN(C(=O)N[C@@H]3CC4(CCCC4)Oc4ccccc43)C2)n1 ZINC000329060154 860983021 /nfs/dbraw/zinc/98/30/21/860983021.db2.gz NHLDFBJVDWIXDS-NVXWUHKLSA-N 0 0 382.464 3.918 10 30 GHEERN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000329103811 861020215 /nfs/dbraw/zinc/02/02/15/861020215.db2.gz DJYBKILPYVOLLS-YDZRNGNQSA-N 0 0 378.900 3.757 10 30 GHEERN O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329125981 861041904 /nfs/dbraw/zinc/04/19/04/861041904.db2.gz TYUUIQZNQQLOLI-ZIFCJYIRSA-N 0 0 398.425 3.998 10 30 GHEERN Cc1ccc(OCc2ccccc2)c(NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000329137065 861055793 /nfs/dbraw/zinc/05/57/93/861055793.db2.gz RFMOWCBYJLUNOL-UNMCSNQZSA-N 0 0 395.503 3.524 10 30 GHEERN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H](n2cncn2)C1 ZINC000329183741 861113855 /nfs/dbraw/zinc/11/38/55/861113855.db2.gz PLEDTDFJUCPSAB-HUUCEWRRSA-N 0 0 398.536 3.794 10 30 GHEERN CC(C)n1ncc2c1C[C@@H](NC(=O)NC[C@@H]1CCO[C@H]1c1ccccc1)CC2 ZINC000329200581 861135594 /nfs/dbraw/zinc/13/55/94/861135594.db2.gz VIQVDPGMJCDHCY-ZJOUEHCJSA-N 0 0 382.508 3.603 10 30 GHEERN CC(C)c1nnc2n1CCN(CC(=O)N[C@H](C)c1ccc3c(c1)CCCC3)C2 ZINC000329202678 861137619 /nfs/dbraw/zinc/13/76/19/861137619.db2.gz YDZUFMNBBAGPNT-MRXNPFEDSA-N 0 0 381.524 3.814 10 30 GHEERN COc1ccc([C@H](C)Nc2cnn(-c3ncccc3C#N)c2)cc1Cn1cccn1 ZINC000186019893 864066021 /nfs/dbraw/zinc/06/60/21/864066021.db2.gz PCTUANLUPMGCJG-INIZCTEOSA-N 0 0 399.458 3.565 10 30 GHEERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3cccc(SCC#N)c3)C2)c1 ZINC000175410495 882553104 /nfs/dbraw/zinc/55/31/04/882553104.db2.gz KFHNYGVUNWWZMP-INIZCTEOSA-N 0 0 382.485 3.949 10 30 GHEERN C[C@H](NC(=O)C(=O)Nc1ccc(CC#N)cc1)c1ccc(-c2ccncc2)cc1 ZINC000176111592 882668132 /nfs/dbraw/zinc/66/81/32/882668132.db2.gz VEKAIYNGWLOSNF-INIZCTEOSA-N 0 0 384.439 3.631 10 30 GHEERN COc1cc(/C=C/C(=O)N2CC=C(c3cccs3)CC2)ccc1OCC#N ZINC000117722334 874147983 /nfs/dbraw/zinc/14/79/83/874147983.db2.gz CPNZEEBKAKWNBY-FNORWQNLSA-N 0 0 380.469 3.988 10 30 GHEERN N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102928818 884636059 /nfs/dbraw/zinc/63/60/59/884636059.db2.gz PSLBZMSWBBABDI-KRWDZBQOSA-N 0 0 383.835 3.716 10 30 GHEERN CN(c1ccccc1)C1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000194135056 888559409 /nfs/dbraw/zinc/55/94/09/888559409.db2.gz SVSTXEQGEHMACV-FMIVXFBMSA-N 0 0 375.472 3.730 10 30 GHEERN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1 ZINC000246915156 891323129 /nfs/dbraw/zinc/32/31/29/891323129.db2.gz FGHYMDGWSQQWFD-ZCNNSNEGSA-N 0 0 383.492 3.580 10 30 GHEERN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000249247208 891503082 /nfs/dbraw/zinc/50/30/82/891503082.db2.gz XKTSJWJRYPZTLG-INMHGKMJSA-N 0 0 381.432 3.509 10 30 GHEERN O=[N+]([O-])c1cc2c(cc1C=NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCO2 ZINC000005505636 209599413 /nfs/dbraw/zinc/59/94/13/209599413.db2.gz WBVLTMFKVBNEJI-KPSZGOFPSA-N 0 0 398.253 3.697 10 30 GHEERN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1 ZINC000003098454 209411792 /nfs/dbraw/zinc/41/17/92/209411792.db2.gz FVINQOBGWWRCAH-NRFANRHFSA-N 0 0 395.455 3.869 10 30 GHEERN CCN(CC)S(=O)(=O)c1ccc(N=NC(C)c2cccs2)c([N+](=O)[O-])c1 ZINC000005020168 520799025 /nfs/dbraw/zinc/79/90/25/520799025.db2.gz RDPVDGQDBBDGTE-SFQUDFHCSA-N 0 0 396.494 3.523 10 30 GHEERN COc1ccc(-c2nnc(S/C(=N\Nc3ccc(C)cc3)C(C)=O)n2C)cc1 ZINC000102659890 523257874 /nfs/dbraw/zinc/25/78/74/523257874.db2.gz BYDMGZKSFHQOHZ-NMWGTECJSA-N 0 0 395.488 3.906 10 30 GHEERN Cc1ccc(S(=O)(=O)OC[C@H](O[C@H]2CCCCO2)c2ccccc2)cc1 ZINC000005546086 525623764 /nfs/dbraw/zinc/62/37/64/525623764.db2.gz SGSDYBVWAAOVHZ-PMACEKPBSA-N 0 0 376.474 3.985 10 30 GHEERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000329233841 834586908 /nfs/dbraw/zinc/58/69/08/834586908.db2.gz HFKJILFBVCDJID-RTBURBONSA-N 0 0 394.512 3.922 10 30 GHEERN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(n3cncn3)CC2)cc1 ZINC000158100353 835213144 /nfs/dbraw/zinc/21/31/44/835213144.db2.gz PTMMPQWXMMXHSV-UHFFFAOYSA-N 0 0 387.443 3.728 10 30 GHEERN CC(=O)Nc1ccc(S[C@H](C)C(=O)N2C[C@H]3CCCCN3C[C@@H]2C)cc1 ZINC000329677969 835660002 /nfs/dbraw/zinc/66/00/02/835660002.db2.gz WVTZYQVIPICNOC-HDMKZQKVSA-N 0 0 375.538 3.860 10 30 GHEERN CC1(C)C[C@H](NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c2ccc(F)cc2O1 ZINC000330166357 838179151 /nfs/dbraw/zinc/17/91/51/838179151.db2.gz XVVVRJRHTBXGIA-DAESXHAQSA-N 0 0 376.472 3.969 10 30 GHEERN C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CC[C@]2(CCOC2)C1 ZINC000328690150 838644904 /nfs/dbraw/zinc/64/49/04/838644904.db2.gz IHFZERYSDRYCKX-MZKRTTBSSA-N 0 0 394.519 3.716 10 30 GHEERN COc1cc(/C=C/C(=O)N2CC3(CCCC3)OC(C)(C)C2)ccc1OCC#N ZINC000189188361 841158711 /nfs/dbraw/zinc/15/87/11/841158711.db2.gz TZQOMHHIGPDTLO-VQHVLOKHSA-N 0 0 384.476 3.561 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@H]1CCN(c3ccc(Cl)cc3)C1)CCC2 ZINC000329248463 861199666 /nfs/dbraw/zinc/19/96/66/861199666.db2.gz WQPYXHCOSVQZNB-RDJZCZTQSA-N 0 0 387.915 3.505 10 30 GHEERN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC[C@H](C(F)(F)F)C3(C)C)C2)n1 ZINC000408276836 842007366 /nfs/dbraw/zinc/00/73/66/842007366.db2.gz LQKDPSBLKOPYJA-CVEARBPZSA-N 0 0 394.441 3.668 10 30 GHEERN O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@H]1CC(=O)Nc2ccccc21 ZINC000329304926 861266989 /nfs/dbraw/zinc/26/69/89/861266989.db2.gz XJTWPUAPUGYCKE-INWMFGNUSA-N 0 0 382.420 3.899 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C)CCC2 ZINC000329353123 861317844 /nfs/dbraw/zinc/31/78/44/861317844.db2.gz UVVRZOCABFQCMK-ROUUACIJSA-N 0 0 384.528 3.940 10 30 GHEERN C=CCOc1ccc(/C=C\C(=O)OC2CCN(CC(F)F)CC2)cc1OC ZINC000588448318 843185838 /nfs/dbraw/zinc/18/58/38/843185838.db2.gz SQXAFMOXNCODKT-ALCCZGGFSA-N 0 0 381.419 3.546 10 30 GHEERN Cn1cc([C@H]2OCCC[C@@H]2NC(=O)Nc2cc(Cl)c(F)c(Cl)c2)cn1 ZINC000330271268 843360033 /nfs/dbraw/zinc/36/00/33/843360033.db2.gz VQFFHUHUXMYZOH-DZGCQCFKSA-N 0 0 387.242 3.921 10 30 GHEERN CC[C@H](NC(=O)C(C#N)=C(O)C(C)=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000588557771 848716994 /nfs/dbraw/zinc/71/69/94/848716994.db2.gz QHWVCMRFNCWONW-LLJFCMBXSA-N 0 0 391.427 3.974 10 30 GHEERN CS(=O)(=O)Nc1cc(F)ccc1NC(=O)[C@H]1C[C@]12CCOc1ccccc12 ZINC000329131235 849729594 /nfs/dbraw/zinc/72/95/94/849729594.db2.gz AECHHGSVJQJWNB-KUHUBIRLSA-N 0 0 390.436 3.526 10 30 GHEERN C=CCNC(=O)c1ccc(NC(=O)N(C)Cc2cc(C)c(OC)c(C)c2)cc1 ZINC000101748001 851866791 /nfs/dbraw/zinc/86/67/91/851866791.db2.gz GXCNFFGMWBWZHV-UHFFFAOYSA-N 0 0 381.476 3.892 10 30 GHEERN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C[C@@H]2CCCCNC2=O)c(C)c1 ZINC000329810142 862336147 /nfs/dbraw/zinc/33/61/47/862336147.db2.gz BJGPNVUJRKSNDS-RDJZCZTQSA-N 0 0 389.521 3.940 10 30 GHEERN O=C(N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)N1CCn2ccnc2C1 ZINC000329826769 862350852 /nfs/dbraw/zinc/35/08/52/862350852.db2.gz INGYBQWYYUXTMP-MRXNPFEDSA-N 0 0 397.479 3.953 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CCCN1c1ncnc3sccc31)CCC2 ZINC000328646317 854488132 /nfs/dbraw/zinc/48/81/32/854488132.db2.gz GVVNMQNMUQTWDB-HOCLYGCPSA-N 0 0 396.520 3.699 10 30 GHEERN O=C(C[C@@H]1CCCCC(=O)N1)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000328667026 854496858 /nfs/dbraw/zinc/49/68/58/854496858.db2.gz KQAJKWQXJIVUCP-ROUUACIJSA-N 0 0 393.915 3.959 10 30 GHEERN O=C(NCc1cccc(N2CCCC2=O)c1)N1CCC(c2nccs2)CC1 ZINC000328720319 854502941 /nfs/dbraw/zinc/50/29/41/854502941.db2.gz GRPYTRUDSCWBRJ-UHFFFAOYSA-N 0 0 384.505 3.564 10 30 GHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000328708516 854517050 /nfs/dbraw/zinc/51/70/50/854517050.db2.gz QLJPAVAOVFZEJE-GOSISDBHSA-N 0 0 399.491 3.772 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)Nc3ccccc3)C1)CCC2 ZINC000328814926 854546554 /nfs/dbraw/zinc/54/65/54/854546554.db2.gz NNSRHDQBVRMPCP-ZWKOTPCHSA-N 0 0 395.507 3.983 10 30 GHEERN Cc1ccc(Oc2ccccc2NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cc1 ZINC000328944847 854611289 /nfs/dbraw/zinc/61/12/89/854611289.db2.gz JMHONAUDZMANSF-CTNGQTDRSA-N 0 0 381.476 3.738 10 30 GHEERN CC(C)c1nnc2n1CCN(C(=O)N[C@@H]1CC3(CCCC3)Oc3ccccc31)C2 ZINC000330120990 862592781 /nfs/dbraw/zinc/59/27/81/862592781.db2.gz GPUOXCLKUIGNKB-QGZVFWFLSA-N 0 0 395.507 3.968 10 30 GHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C ZINC000330152224 862619531 /nfs/dbraw/zinc/61/95/31/862619531.db2.gz WOHUZOJORKLSFF-RDTXWAMCSA-N 0 0 381.480 3.970 10 30 GHEERN CC(C)n1ncc2c1C[C@@H](NC(=O)[C@@H]1CC(=O)N([C@H](C)c3ccccc3)C1)CC2 ZINC000330164490 862627210 /nfs/dbraw/zinc/62/72/10/862627210.db2.gz TYTNJAOBGVIUAF-AHRSYUTCSA-N 0 0 394.519 3.888 10 30 GHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000330184486 862643220 /nfs/dbraw/zinc/64/32/20/862643220.db2.gz INAKLAANXYAVFA-KCITZHQASA-N 0 0 388.899 3.553 10 30 GHEERN C[C@H]1OCC[C@H]1NC(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000330203887 862660709 /nfs/dbraw/zinc/66/07/09/862660709.db2.gz CHOOZBMCVDZKPM-QSGSBWRWSA-N 0 0 392.297 3.989 10 30 GHEERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1CCc2cc[nH]c(=O)c2C1 ZINC000330268730 862706778 /nfs/dbraw/zinc/70/67/78/862706778.db2.gz RJBNQPFJZFUWAU-SFHVURJKSA-N 0 0 379.460 3.896 10 30 GHEERN C#CCCOc1ccc(CN[C@@H](c2nccn2C)c2ccc(OC)cc2)cc1 ZINC000113319190 857451648 /nfs/dbraw/zinc/45/16/48/857451648.db2.gz WMSQSARPVVFOJA-JOCHJYFZSA-N 0 0 375.472 3.710 10 30 GHEERN CC(C)N1C(=O)N[C@@H]2CN(C(=O)N[C@@H]3c4ccccc4CCC3(C)C)CC[C@@H]21 ZINC000329075950 860996881 /nfs/dbraw/zinc/99/68/81/860996881.db2.gz PPYSNLAJPBUDSZ-CEXWTWQISA-N 0 0 384.524 3.695 10 30 GHEERN Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)CC(=O)N1C ZINC000329082337 861002979 /nfs/dbraw/zinc/00/29/79/861002979.db2.gz DPLYRGFIUGMYPK-AAWZQNATSA-N 0 0 386.540 3.872 10 30 GHEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1cc(Br)ccc1O ZINC000186007794 863683090 /nfs/dbraw/zinc/68/30/90/863683090.db2.gz NERRQOAGFNGYAU-NSHDSACASA-N 0 0 384.237 3.780 10 30 GHEERN Cc1nc([C@@H](NC(=O)c2cccc(SCC#N)c2)c2ccccc2F)no1 ZINC000175948608 882618491 /nfs/dbraw/zinc/61/84/91/882618491.db2.gz RMXUGVTYLLFSNX-KRWDZBQOSA-N 0 0 382.420 3.652 10 30 GHEERN CC(C)(C#N)c1ccc(NC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)cc1 ZINC000193029971 884320777 /nfs/dbraw/zinc/32/07/77/884320777.db2.gz QJJBIXFKYJTYBO-KRWDZBQOSA-N 0 0 383.473 3.528 10 30 GHEERN N#Cc1ccc(SCC(=O)NCc2cc(F)cc(Br)c2)cc1 ZINC000102997297 884666578 /nfs/dbraw/zinc/66/65/78/884666578.db2.gz YCPWKFDWBROBRV-UHFFFAOYSA-N 0 0 379.254 3.868 10 30 GHEERN C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)Cc1cccc(OCC#N)c1 ZINC000125478372 886870386 /nfs/dbraw/zinc/87/03/86/886870386.db2.gz DFWGTBSOKUYMLC-MGPUTAFESA-N 0 0 384.863 3.773 10 30 GHEERN C#CCOc1ccc([C@@H](C)N[C@H](c2nccn2C)c2ccc(OC)cc2)cc1 ZINC000129075057 887256497 /nfs/dbraw/zinc/25/64/97/887256497.db2.gz XDZGEOALKHCPTA-VGSWGCGISA-N 0 0 375.472 3.881 10 30 GHEERN N#CCOc1ccc(/C=C/C(=O)N2CCC(OCc3ccccc3)CC2)cc1 ZINC000194357247 888579120 /nfs/dbraw/zinc/57/91/20/888579120.db2.gz CKDBVNLJAWYZGY-DHZHZOJOSA-N 0 0 376.456 3.810 10 30 GHEERN COc1cc(/C=C/C(=O)N2CCC(OC3CCCC3)CC2)ccc1OCC#N ZINC000195402305 888663135 /nfs/dbraw/zinc/66/31/35/888663135.db2.gz RGFXVZJHLZXPAB-VQHVLOKHSA-N 0 0 384.476 3.561 10 30 GHEERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000247057078 891339555 /nfs/dbraw/zinc/33/95/55/891339555.db2.gz OWPLXCBVIXPZHG-DYESRHJHSA-N 0 0 391.519 3.915 10 30 GHEERN C[C@H](C#N)Oc1ccccc1NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 ZINC000248622816 891446398 /nfs/dbraw/zinc/44/63/98/891446398.db2.gz YIBCSAPCWMBNPT-NUJGCVRESA-N 0 0 377.444 3.526 10 30 GHEERN CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000102797497 898033885 /nfs/dbraw/zinc/03/38/85/898033885.db2.gz VBSUQRAZZGZLPH-UHFFFAOYSA-N 0 0 396.466 3.976 10 30 GHEERN CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1cccs1 ZINC000005560109 209602264 /nfs/dbraw/zinc/60/22/64/209602264.db2.gz BBGGBNMNZNUSAZ-SFQUDFHCSA-N 0 0 396.494 3.523 10 30 GHEERN CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C1=O)C31CC1 ZINC000004997268 209555870 /nfs/dbraw/zinc/55/58/70/209555870.db2.gz SGPVVBWVNFGGGK-YHARVQLMSA-N 0 0 386.451 3.770 10 30 GHEERN COCCn1cc2c(n1)[C@H](NC(=O)[C@@H]1C[C@@]13CCOc1ccccc13)CCC2 ZINC000329339043 834877143 /nfs/dbraw/zinc/87/71/43/834877143.db2.gz NLQKPHNWSIKZOT-NJNPRVFISA-N 0 0 381.476 3.604 10 30 GHEERN N#Cc1ccccc1OC1CCC(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)CC1 ZINC000111897220 834995930 /nfs/dbraw/zinc/99/59/30/834995930.db2.gz RZFZVHFYYZWIPI-CTWPCTMYSA-N 0 0 393.491 3.908 10 30 GHEERN C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000329647108 835520255 /nfs/dbraw/zinc/52/02/55/835520255.db2.gz JBEWJEFRORBQHN-WCQYABFASA-N 0 0 386.418 3.670 10 30 GHEERN COc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000329690850 835697773 /nfs/dbraw/zinc/69/77/73/835697773.db2.gz GOXVTNHPWKJHJX-GOSISDBHSA-N 0 0 380.444 3.860 10 30 GHEERN N#Cc1ccc(N2CCC[C@H]2c2nnc3n2CCCCC3)c(Br)c1 ZINC000134576251 835845956 /nfs/dbraw/zinc/84/59/56/835845956.db2.gz PESFAFDRKVAGGM-INIZCTEOSA-N 0 0 386.297 3.980 10 30 GHEERN O=C(NCc1ccc(N2CCCCC2)nc1)N1CCC(c2nccs2)CC1 ZINC000328707038 838849602 /nfs/dbraw/zinc/84/96/02/838849602.db2.gz AMXZMGLYENGSTK-UHFFFAOYSA-N 0 0 385.537 3.822 10 30 GHEERN CCc1nccn1[C@H]1CCCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000106213802 840779509 /nfs/dbraw/zinc/77/95/09/840779509.db2.gz ADLMQOAGXQXRMJ-GJZGRUSLSA-N 0 0 397.548 3.531 10 30 GHEERN C[C@@H]1Oc2c(cccc2C(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)NC1=O ZINC000329273682 861231226 /nfs/dbraw/zinc/23/12/26/861231226.db2.gz KBTXMZUHQTZYLT-NVBFEUDRSA-N 0 0 398.419 3.541 10 30 GHEERN C[C@H]1C[C@H](NC(=O)NC2C3CC4CC(C3)CC2C4)c2ccsc2S1(=O)=O ZINC000329507157 861558014 /nfs/dbraw/zinc/55/80/14/861558014.db2.gz ATLGUVSTEUEAPC-KIQQGYKVSA-N 0 0 394.562 3.683 10 30 GHEERN N#C[C@H]1CCC[C@H]1NC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000333001502 845447827 /nfs/dbraw/zinc/44/78/27/845447827.db2.gz MQPMRNNODXXXRL-BRXULGCHSA-N 0 0 380.261 3.826 10 30 GHEERN Cc1csc(C2CCN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC2)n1 ZINC000183641251 846535812 /nfs/dbraw/zinc/53/58/12/846535812.db2.gz QMRTYZWHDZMSLZ-UHFFFAOYSA-N 0 0 381.910 3.545 10 30 GHEERN COCCn1cc2c(n1)[C@H](NC(=O)N1CCC[C@H]1c1cccc(F)c1)CCC2 ZINC000329604568 861752940 /nfs/dbraw/zinc/75/29/40/861752940.db2.gz YXHNGWQLHRQEEV-MOPGFXCFSA-N 0 0 386.471 3.797 10 30 GHEERN C=C(C)Cn1c(N2CCn3ccnc3C2)nnc1C12CC3CC(CC(C3)C1)C2 ZINC000329622462 861809628 /nfs/dbraw/zinc/80/96/28/861809628.db2.gz HGLZHEAZCSDVFG-UHFFFAOYSA-N 0 0 378.524 3.539 10 30 GHEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@H]1[C@H]1CCCC[C@]1(C)O ZINC000329716504 862210017 /nfs/dbraw/zinc/21/00/17/862210017.db2.gz WNOXJGXQZBQKCN-HUQZETJFSA-N 0 0 379.545 3.840 10 30 GHEERN COc1ccccc1[C@@H]1CCCN1C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000328611155 854482909 /nfs/dbraw/zinc/48/29/09/854482909.db2.gz OGKUFFSZUSIMGP-AOIWGVFYSA-N 0 0 385.508 3.537 10 30 GHEERN C[C@H](C(=O)Nc1ccc(Cl)cn1)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000328671278 854498385 /nfs/dbraw/zinc/49/83/85/854498385.db2.gz HCBGTPLJFSWXMX-UVARLRKDSA-N 0 0 395.850 3.706 10 30 GHEERN C[C@@H]1CN([C@H](CNC(=O)C[C@H]2CCCCC(=O)N2)c2cccs2)CCO1 ZINC000328673865 854499430 /nfs/dbraw/zinc/49/94/30/854499430.db2.gz PNLCEKKBFIZERX-BZUAXINKSA-N 0 0 379.526 3.756 10 30 GHEERN C[C@@H](C(=O)Nc1ccccc1Br)N1CCC[C@H](n2cccn2)C1 ZINC000328687542 854509585 /nfs/dbraw/zinc/50/95/85/854509585.db2.gz HCSLVWONPSEZFJ-KBPBESRZSA-N 0 0 377.286 3.959 10 30 GHEERN CC1(C)[C@H](NC(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccc(F)cc2)[C@@H]2CCO[C@H]21 ZINC000328697980 854514314 /nfs/dbraw/zinc/51/43/14/854514314.db2.gz HJQLQYMAZLAEEJ-FLFBIERCSA-N 0 0 399.466 3.859 10 30 GHEERN O=C(N[C@H]1CCc2c1cccc2Br)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328756282 854529385 /nfs/dbraw/zinc/52/93/85/854529385.db2.gz UALPZASOQLHERH-LSDHHAIUSA-N 0 0 392.297 3.982 10 30 GHEERN Cc1ccc(NC(=O)N2CCC[C@@H](n3cccn3)C2)c(OC[C@H]2CCCO2)c1 ZINC000328769937 854534937 /nfs/dbraw/zinc/53/49/37/854534937.db2.gz QXGPMDPTXGTNEH-QZTJIDSGSA-N 0 0 384.480 3.632 10 30 GHEERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000328771985 854535803 /nfs/dbraw/zinc/53/58/03/854535803.db2.gz AWTSNKUSEATGOL-YOEHRIQHSA-N 0 0 387.505 3.744 10 30 GHEERN O=C(CN1C[C@H](O)C[C@H]1c1ccc(F)cc1)Nc1nc2c(s1)CCCC2 ZINC000328795831 854559943 /nfs/dbraw/zinc/55/99/43/854559943.db2.gz CRLZHVNBRHDNGR-ZBFHGGJFSA-N 0 0 375.469 3.557 10 30 GHEERN O=C(CN1C[C@@H](O)C[C@H]1c1ccc(F)cc1)Nc1nc2c(s1)CCCC2 ZINC000328795830 854560048 /nfs/dbraw/zinc/56/00/48/854560048.db2.gz CRLZHVNBRHDNGR-HOCLYGCPSA-N 0 0 375.469 3.557 10 30 GHEERN C[C@H](NC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1)c1ccc(Oc2ccccc2)cc1 ZINC000328846458 854574216 /nfs/dbraw/zinc/57/42/16/854574216.db2.gz AMFCMHJQNSKAEK-WTOYTKOKSA-N 0 0 395.503 3.859 10 30 GHEERN Cc1cccc(Oc2ccccc2NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c1 ZINC000328956948 854616122 /nfs/dbraw/zinc/61/61/22/854616122.db2.gz NWEKOLBXSHGYSO-CTNGQTDRSA-N 0 0 381.476 3.738 10 30 GHEERN CN1CCO[C@@H]2CCN(C(=O)Nc3ccc(OC4CCCC4)c(Cl)c3)C[C@H]21 ZINC000328966401 854635931 /nfs/dbraw/zinc/63/59/31/854635931.db2.gz SOFWGXXRMDKQDZ-IEBWSBKVSA-N 0 0 393.915 3.612 10 30 GHEERN Cn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)[C@H]1CCOc2ccc(Cl)cc21 ZINC000330326811 862908466 /nfs/dbraw/zinc/90/84/66/862908466.db2.gz KJOHWPPZDGBXIZ-QRTARXTBSA-N 0 0 375.856 3.816 10 30 GHEERN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000329103810 861020485 /nfs/dbraw/zinc/02/04/85/861020485.db2.gz DJYBKILPYVOLLS-AKHDSKFASA-N 0 0 378.900 3.757 10 30 GHEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000186024008 864115376 /nfs/dbraw/zinc/11/53/76/864115376.db2.gz VPUCGBCSTBJUGE-CQSZACIVSA-N 0 0 387.447 3.596 10 30 GHEERN CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186573559 866160799 /nfs/dbraw/zinc/16/07/99/866160799.db2.gz NBKBKMPNYCLOHR-UHFFFAOYSA-N 0 0 377.448 3.980 10 30 GHEERN N#C[C@H]1CN(C(=O)c2csc(-c3ccsc3)n2)CCN1Cc1ccccc1 ZINC000114309781 868748644 /nfs/dbraw/zinc/74/86/44/868748644.db2.gz ZUXODAKEXAUXOB-KRWDZBQOSA-N 0 0 394.525 3.722 10 30 GHEERN N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000106635239 870620169 /nfs/dbraw/zinc/62/01/69/870620169.db2.gz XTFPSDHSMSOSEM-QGZVFWFLSA-N 0 0 379.435 3.800 10 30 GHEERN CC(C)(C)OC(=O)NCc1ccc(C(=O)N(CCC#N)Cc2ccccn2)cc1 ZINC000103439637 871927600 /nfs/dbraw/zinc/92/76/00/871927600.db2.gz MFSJIABFMNDHEX-UHFFFAOYSA-N 0 0 394.475 3.662 10 30 GHEERN C#Cc1cccc(N(Cc2ccco2)C(=O)CCc2nc(-c3ccncc3)no2)c1 ZINC000102858486 873725527 /nfs/dbraw/zinc/72/55/27/873725527.db2.gz RBECMZZCJPRSIZ-UHFFFAOYSA-N 0 0 398.422 3.872 10 30 GHEERN Cc1cc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)c(C)n1-c1ccc(C#N)cc1 ZINC000102914481 873815253 /nfs/dbraw/zinc/81/52/53/873815253.db2.gz VISYUPQEEPGPMR-UHFFFAOYSA-N 0 0 386.411 3.549 10 30 GHEERN N#Cc1ccc(NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cc1Cl ZINC000192631787 882918368 /nfs/dbraw/zinc/91/83/68/882918368.db2.gz JJDOZXFOCYQOEE-CQSZACIVSA-N 0 0 380.839 3.666 10 30 GHEERN N#CCC[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000178624615 882926263 /nfs/dbraw/zinc/92/62/63/882926263.db2.gz JCEUGLXDTLVTOB-OAQYLSRUSA-N 0 0 393.462 3.839 10 30 GHEERN C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)Cc1cccc(OCC#N)c1 ZINC000125478156 886871025 /nfs/dbraw/zinc/87/10/25/886871025.db2.gz DFWGTBSOKUYMLC-FOIQADDNSA-N 0 0 384.863 3.773 10 30 GHEERN Cc1noc(CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)n1 ZINC000105035587 887295323 /nfs/dbraw/zinc/29/53/23/887295323.db2.gz HVTCTDPSFVCWFF-UHFFFAOYSA-N 0 0 391.431 3.501 10 30 GHEERN Cc1ccc([C@H]2CN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)CCO2)o1 ZINC000247189662 891353223 /nfs/dbraw/zinc/35/32/23/891353223.db2.gz YIGJSPPLMSZBTO-VQIMIIECSA-N 0 0 399.516 3.994 10 30 GHEERN C=CCn1c(SCC(=O)Nc2cccc(F)c2C)nnc1-c1cccnc1 ZINC000020295738 519222827 /nfs/dbraw/zinc/22/28/27/519222827.db2.gz XGMXNDKSLXUPTE-UHFFFAOYSA-N 0 0 383.452 3.704 10 30 GHEERN CCCCOc1ccc(CNC(=S)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000005713188 520879109 /nfs/dbraw/zinc/87/91/09/520879109.db2.gz UJAHYHNHUZZNBT-KGENOOAVSA-N 0 0 386.477 3.772 10 30 GHEERN CCn1cc(Br)c(C(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)n1 ZINC000033514790 523310363 /nfs/dbraw/zinc/31/03/63/523310363.db2.gz LAQFUBICZAKIKN-SREVYHEPSA-N 0 0 395.253 3.587 10 30 GHEERN C=C(C)CN1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccccc1C ZINC000588601778 834561662 /nfs/dbraw/zinc/56/16/62/834561662.db2.gz VHXQZTNFOMOWJZ-CQSZACIVSA-N 0 0 399.438 3.571 10 30 GHEERN O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)NC1CCN(c2nccs2)CC1 ZINC000329340860 834870409 /nfs/dbraw/zinc/87/04/09/834870409.db2.gz RUJTTXXCPPZJKJ-GXTWGEPZSA-N 0 0 390.475 3.984 10 30 GHEERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N(C)Cc1ccc3ccccc3c1)CC2 ZINC000329858531 835089350 /nfs/dbraw/zinc/08/93/50/835089350.db2.gz WCLMODJVTWDLCZ-IBGZPJMESA-N 0 0 377.492 3.916 10 30 GHEERN CCCn1cc(CN2CCCN(C(=O)N[C@@H]3c4ccccc4C[C@H]3C)CC2)cn1 ZINC000329603420 835339284 /nfs/dbraw/zinc/33/92/84/835339284.db2.gz YMBSOKBOTIEEFH-GCJKJVERSA-N 0 0 395.551 3.648 10 30 GHEERN Cc1nc([C@@H]2CCCN(C(=O)CNC(=O)Nc3cccc(C)c3)C2)sc1C ZINC000329637235 835488544 /nfs/dbraw/zinc/48/85/44/835488544.db2.gz YOUBJJWOFSMUTM-MRXNPFEDSA-N 0 0 386.521 3.800 10 30 GHEERN Cc1c(NCc2cn(C)nc2-c2ccc(C#N)cc2)cccc1N1CCOC1=O ZINC000180367070 837179201 /nfs/dbraw/zinc/17/92/01/837179201.db2.gz ICEAVDIEQHVEQB-UHFFFAOYSA-N 0 0 387.443 3.836 10 30 GHEERN Cc1cnn([C@@H]2CCCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)c1 ZINC000106224700 840805750 /nfs/dbraw/zinc/80/57/50/840805750.db2.gz WNUZOJITNFFWPW-MRXNPFEDSA-N 0 0 397.548 3.669 10 30 GHEERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000329328617 861289556 /nfs/dbraw/zinc/28/95/56/861289556.db2.gz UZVNTOYCMZYFNP-MJSCVDMRSA-N 0 0 382.863 3.582 10 30 GHEERN CC(C)[C@@H]1C[C@@H](CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c2ccccc21 ZINC000329476798 861498015 /nfs/dbraw/zinc/49/80/15/861498015.db2.gz BQSLZAJIXCKKIL-CNFLGBHRSA-N 0 0 386.536 3.689 10 30 GHEERN N#Cc1cccnc1-n1cc(NC(=O)c2csc(-c3ccsc3)n2)cn1 ZINC000183686286 846846865 /nfs/dbraw/zinc/84/68/65/846846865.db2.gz QMEWQCPIVZUSBQ-UHFFFAOYSA-N 0 0 378.442 3.576 10 30 GHEERN CNC(=O)c1cncc(/C=C\C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c1 ZINC000588524801 847420303 /nfs/dbraw/zinc/42/03/03/847420303.db2.gz JCRUZSRPFSNFHU-YFHOEESVSA-N 0 0 398.422 3.757 10 30 GHEERN Cc1cc(F)c(NC(=O)N[C@@H]2CCC[C@@H]2C#N)c(I)c1 ZINC000408237042 848337879 /nfs/dbraw/zinc/33/78/79/848337879.db2.gz RSPZNYAUQTXUIT-BXKDBHETSA-N 0 0 387.196 3.553 10 30 GHEERN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000154898797 849395839 /nfs/dbraw/zinc/39/58/39/849395839.db2.gz BUBYJVXNPWCEBF-RTBURBONSA-N 0 0 394.496 3.721 10 30 GHEERN O=C(N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)N1CC[C@@H](CCO)C1 ZINC000329862770 862379987 /nfs/dbraw/zinc/37/99/87/862379987.db2.gz RIRBKTROFWQGSS-BBRMVZONSA-N 0 0 389.496 3.945 10 30 GHEERN Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)cn1 ZINC000329889081 862400169 /nfs/dbraw/zinc/40/01/69/862400169.db2.gz ZRSJZLDDODSPGG-DHSIGJKJSA-N 0 0 392.862 3.526 10 30 GHEERN Cc1c([C@@H]2[C@H](C(=O)N[C@H](C)c3ccc(F)c(Cl)c3)CC(=O)N2C)cnn1C ZINC000329890306 862400308 /nfs/dbraw/zinc/40/03/08/862400308.db2.gz GATBQLYHXBADTM-ZEWFUEFWSA-N 0 0 392.862 3.758 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CC(=O)N(c3cccc(C)c3C)C1)CCC2 ZINC000328815549 854547636 /nfs/dbraw/zinc/54/76/36/854547636.db2.gz NQOBOPBXXJIZHN-ROUUACIJSA-N 0 0 380.492 3.695 10 30 GHEERN O=C(CN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1)Nc1nc2c(s1)CCCC2 ZINC000328795829 854560037 /nfs/dbraw/zinc/56/00/37/854560037.db2.gz CRLZHVNBRHDNGR-GOEBONIOSA-N 0 0 375.469 3.557 10 30 GHEERN C[C@H](NC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1)c1ccccc1Oc1ccccc1 ZINC000328886457 854598113 /nfs/dbraw/zinc/59/81/13/854598113.db2.gz OWRVSPPXDXQCGX-XJABCFGWSA-N 0 0 395.503 3.859 10 30 GHEERN Cc1cccc(NC(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)c1F ZINC000330317641 862869717 /nfs/dbraw/zinc/86/97/17/862869717.db2.gz BVEFDRAFHUFIAZ-MRXNPFEDSA-N 0 0 384.455 3.828 10 30 GHEERN CC(=O)N1CC[C@H](NC(=O)Nc2cc(C#N)ccc2C)c2ccc(F)cc2C1 ZINC000185282478 859841870 /nfs/dbraw/zinc/84/18/70/859841870.db2.gz ZOTCWOSACOKNFV-IBGZPJMESA-N 0 0 380.423 3.621 10 30 GHEERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000329030934 860961131 /nfs/dbraw/zinc/96/11/31/860961131.db2.gz PPKVBSOHRHVVBG-IFUGULHKSA-N 0 0 382.247 3.895 10 30 GHEERN CN1CCO[C@@H]2CCN(C(=O)Nc3ccccc3Oc3cccc(F)c3)C[C@H]21 ZINC000329042265 860970477 /nfs/dbraw/zinc/97/04/77/860970477.db2.gz TVXFEVNURCIGLG-UYAOXDASSA-N 0 0 385.439 3.568 10 30 GHEERN Cc1ccc(Oc2ccccc2)c(NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000329050896 860978643 /nfs/dbraw/zinc/97/86/43/860978643.db2.gz WHXMKGDSBYMOLB-FPOVZHCZSA-N 0 0 381.476 3.738 10 30 GHEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(C(=O)N(C)CC)c1 ZINC000103779189 864091499 /nfs/dbraw/zinc/09/14/99/864091499.db2.gz FAZQFAYDFHHDID-UHFFFAOYSA-N 0 0 381.432 3.515 10 30 GHEERN N#Cc1ccccc1N1CCN(C(=O)c2ccc3nc(Cl)ccc3c2)CC1 ZINC000101671808 872179072 /nfs/dbraw/zinc/17/90/72/872179072.db2.gz FCERLKOYTHRPSW-UHFFFAOYSA-N 0 0 376.847 3.722 10 30 GHEERN N#CCC[C@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000178624628 882927157 /nfs/dbraw/zinc/92/71/57/882927157.db2.gz JCEUGLXDTLVTOB-NRFANRHFSA-N 0 0 393.462 3.839 10 30 GHEERN COC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000181576108 883163641 /nfs/dbraw/zinc/16/36/41/883163641.db2.gz NHVMHUSCWBIZOV-PMACEKPBSA-N 0 0 388.467 3.661 10 30 GHEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186644723 883680494 /nfs/dbraw/zinc/68/04/94/883680494.db2.gz DECRCSFKAHFEJM-UHFFFAOYSA-N 0 0 395.419 3.792 10 30 GHEERN C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000191505393 884187921 /nfs/dbraw/zinc/18/79/21/884187921.db2.gz GYTWKHSKYQKFOD-UHFFFAOYSA-N 0 0 397.523 3.970 10 30 GHEERN CN1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1=O ZINC000191874668 884226365 /nfs/dbraw/zinc/22/63/65/884226365.db2.gz REERHXMFAOMJGL-SFHVURJKSA-N 0 0 396.878 3.691 10 30 GHEERN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000193309214 884338134 /nfs/dbraw/zinc/33/81/34/884338134.db2.gz ZCHDYOKLBINUCF-OAQYLSRUSA-N 0 0 375.472 3.962 10 30 GHEERN COc1ccc2c(CC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)coc2c1 ZINC000104485284 885465847 /nfs/dbraw/zinc/46/58/47/885465847.db2.gz ADCWJXYLARITMC-UHFFFAOYSA-N 0 0 390.439 3.926 10 30 GHEERN COc1cc(/C=C/C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)ccc1OCC#N ZINC000067830132 891162700 /nfs/dbraw/zinc/16/27/00/891162700.db2.gz JHXQOFVTWLZQOJ-FJSXWPCHSA-N 0 0 392.455 3.599 10 30 GHEERN C=CCCSc1nc2n[nH]cc2c(=O)n1-c1ccccc1Br ZINC000002479469 209170604 /nfs/dbraw/zinc/17/06/04/209170604.db2.gz JTHZXBZQXNARSX-UHFFFAOYSA-N 0 0 377.267 3.540 10 30 GHEERN CCCNC(=O)c1oc2c(c1C)/C(=N/NC(=S)Nc1ccccc1)CCC2 ZINC000040825164 210795275 /nfs/dbraw/zinc/79/52/75/210795275.db2.gz AKTLXEMEDBLTAX-HZHRSRAPSA-N 0 0 384.505 3.755 10 30 GHEERN COc1cc(/C=N/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)ccc1O ZINC000100037123 521998789 /nfs/dbraw/zinc/99/87/89/521998789.db2.gz VOBRPFDHSPTWFA-RCCKNPSSSA-N 0 0 388.489 3.716 10 30 GHEERN Cc1cc(COCC(=O)N2CCSC2=Nc2cccc(Cl)c2C)on1 ZINC000588619675 835152997 /nfs/dbraw/zinc/15/29/97/835152997.db2.gz RUAJBODDQOQWEP-UHFFFAOYSA-N 0 0 379.869 3.725 10 30 GHEERN Cc1noc(-c2ccccc2C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)n1 ZINC000329544801 835216243 /nfs/dbraw/zinc/21/62/43/835216243.db2.gz GHJWLIVXKKNPEF-CQSZACIVSA-N 0 0 379.464 3.859 10 30 GHEERN Cc1cccc2c1OCC[C@@H]2NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000188101640 835369737 /nfs/dbraw/zinc/36/97/37/835369737.db2.gz OVGPTWLLNDENQO-IBGZPJMESA-N 0 0 377.444 3.616 10 30 GHEERN CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H]1CCCN(c2ccc(C)nn2)C1 ZINC000329673433 835586935 /nfs/dbraw/zinc/58/69/35/835586935.db2.gz OATDLGFRFJCQJL-NVXWUHKLSA-N 0 0 385.537 3.739 10 30 GHEERN Cc1nc([C@H](C)NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)cs1 ZINC000328643463 836532189 /nfs/dbraw/zinc/53/21/89/836532189.db2.gz FKMLWYNELKXDMS-LBPRGKRZSA-N 0 0 382.489 3.954 10 30 GHEERN CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000180019412 836689616 /nfs/dbraw/zinc/68/96/16/836689616.db2.gz SDKUGBKZOVZQPU-INIZCTEOSA-N 0 0 395.511 3.802 10 30 GHEERN N#C[C@@H]1CCC[C@H]1Nc1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC000330047456 838785392 /nfs/dbraw/zinc/78/53/92/838785392.db2.gz JIYDWWXTMXLGNW-GOEBONIOSA-N 0 0 397.548 3.506 10 30 GHEERN COc1cc(/C=C/C(=O)N2CCc3[nH]c4ccccc4c3C2)ccc1OCC#N ZINC000009900785 838799820 /nfs/dbraw/zinc/79/98/20/838799820.db2.gz MOAGDFWSWOJIRP-VQHVLOKHSA-N 0 0 387.439 3.677 10 30 GHEERN COc1cc(/C=C\C(=O)c2cc(O)ccc2OC)cc(Br)c1O ZINC000588409667 841298563 /nfs/dbraw/zinc/29/85/63/841298563.db2.gz JHNFVZAQQJIILD-HYXAFXHYSA-N 0 0 379.206 3.774 10 30 GHEERN O=C(Nc1nnc2n1CCCC2)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000328833900 842395617 /nfs/dbraw/zinc/39/56/17/842395617.db2.gz RXUSPGAPLXKOBL-KSSFIOAISA-N 0 0 387.281 3.869 10 30 GHEERN C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000408337781 842570683 /nfs/dbraw/zinc/57/06/83/842570683.db2.gz HQUXWYZUYIIWDM-ZKIDJSGLSA-N 0 0 379.504 3.579 10 30 GHEERN C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)N[C@@H]4CC4(C)C)CC3)cc2NC1=O ZINC000328881366 842786638 /nfs/dbraw/zinc/78/66/38/842786638.db2.gz LEYRQGACYXTNRS-YVEFUNNKSA-N 0 0 385.464 3.663 10 30 GHEERN O=C(N[C@@H]1CCCNC1=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000329374636 861348062 /nfs/dbraw/zinc/34/80/62/861348062.db2.gz NNCGSVOYQSQGCM-ZIAGYGMSSA-N 0 0 384.263 3.673 10 30 GHEERN CCC1CCC(NC(=O)N2CCOC[C@H]2c2ncnn2-c2ccccc2)CC1 ZINC000328892403 842834015 /nfs/dbraw/zinc/83/40/15/842834015.db2.gz TVKOWYRWCVGPTQ-TVPLGVNVSA-N 0 0 383.496 3.523 10 30 GHEERN Cc1cccc(C2(C(=O)NCCN3CCN(C(=O)C4CCC4)CC3)CCCC2)c1 ZINC000328950727 843086980 /nfs/dbraw/zinc/08/69/80/843086980.db2.gz WZAQBNBUBYBDIM-UHFFFAOYSA-N 0 0 397.563 3.708 10 30 GHEERN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCSC4(CCCCC4)C3)C2)n1 ZINC000408385678 843286507 /nfs/dbraw/zinc/28/65/07/843286507.db2.gz NNBFXHNBLOIIBZ-IBGZPJMESA-N 0 0 398.576 3.756 10 30 GHEERN Cn1cc(-c2cc(CON=Cc3cccc(OCc4ccncc4)c3)on2)cn1 ZINC000588483018 844922961 /nfs/dbraw/zinc/92/29/61/844922961.db2.gz KMISSAVJJFXATO-UHFFFAOYSA-N 0 0 389.415 3.600 10 30 GHEERN Cc1c(C(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)sc2nccc(C)c12 ZINC000329610468 861770292 /nfs/dbraw/zinc/77/02/92/861770292.db2.gz REGBRFZSQKQRDR-HNNXBMFYSA-N 0 0 381.505 3.985 10 30 GHEERN Cc1ccc(N2CCC[C@@H](NC(=O)NCC(C)(C)c3ccccc3C)C2)nn1 ZINC000329626531 861815702 /nfs/dbraw/zinc/81/57/02/861815702.db2.gz VMQXBFFJFKFRRB-GOSISDBHSA-N 0 0 381.524 3.544 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N(C)[C@@H](c3ccccc3)C(C)C)C2)nn1 ZINC000329679093 862011339 /nfs/dbraw/zinc/01/13/39/862011339.db2.gz QRDJOTVDPDQBAS-PZJWPPBQSA-N 0 0 381.524 3.997 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@H]3c3cccc(F)c3)C2)nn1 ZINC000329684823 862054839 /nfs/dbraw/zinc/05/48/39/862054839.db2.gz ULHQRXJGWVSPNS-OALUTQOASA-N 0 0 383.471 3.644 10 30 GHEERN O=C(N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)N[C@@H]1CCCNC1=O ZINC000329857809 862377700 /nfs/dbraw/zinc/37/77/00/862377700.db2.gz ZPEFUHOIWAGGIS-ZIAGYGMSSA-N 0 0 388.468 3.949 10 30 GHEERN Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)cn1 ZINC000329890285 862400629 /nfs/dbraw/zinc/40/06/29/862400629.db2.gz FZXPXCOLSUAJCA-JTDSTZFVSA-N 0 0 388.899 3.777 10 30 GHEERN COc1ccc([C@@H]2CCCN2C(=O)NC[C@H]2CCCn3cc(C)nc32)c(OC)c1 ZINC000328657029 854491276 /nfs/dbraw/zinc/49/12/76/854491276.db2.gz OIUQGDNXAJNWIP-APWZRJJASA-N 0 0 398.507 3.837 10 30 GHEERN O=C(C[C@@H]1Sc2ccccc2NC1=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000328696116 854512780 /nfs/dbraw/zinc/51/27/80/854512780.db2.gz KTOQXKYTNQUOAO-QANKJYHBSA-N 0 0 390.505 3.663 10 30 GHEERN O=C(NC1CCSCC1)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1 ZINC000328717574 854520732 /nfs/dbraw/zinc/52/07/32/854520732.db2.gz PKQPRNWHYMDCJG-WMZOPIPTSA-N 0 0 375.469 3.941 10 30 GHEERN Cc1nc([C@@H]2CCCN(C(=O)N[C@@H]3CCC(=O)NC34CCC4)C2)sc1C ZINC000328726657 854538164 /nfs/dbraw/zinc/53/81/64/854538164.db2.gz ZSQCZZMGZVNOMR-HUUCEWRRSA-N 0 0 376.526 3.895 10 30 GHEERN O=C(CN1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1)Nc1nc2c(s1)CCCC2 ZINC000328882661 854596344 /nfs/dbraw/zinc/59/63/44/854596344.db2.gz LXMBPSDFABXPLB-WBMJQRKESA-N 0 0 393.459 3.696 10 30 GHEERN COc1cc(C#N)ccc1OCC(=O)N(C)[C@H](c1ccccc1)c1ccccn1 ZINC000055418713 855319411 /nfs/dbraw/zinc/31/94/11/855319411.db2.gz NXGMZHAVJUJXPG-HSZRJFAPSA-N 0 0 387.439 3.589 10 30 GHEERN CC(C)c1noc([C@H](NC(=O)c2scnc2C2CC2)C2CCOCC2)n1 ZINC000330276789 862714981 /nfs/dbraw/zinc/71/49/81/862714981.db2.gz NKFDCMWCGAIQNW-CQSZACIVSA-N 0 0 376.482 3.999 10 30 GHEERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000329030935 860961857 /nfs/dbraw/zinc/96/18/57/860961857.db2.gz PPKVBSOHRHVVBG-IXPVHAAZSA-N 0 0 382.247 3.895 10 30 GHEERN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H](n2cncn2)C1 ZINC000329183740 861114215 /nfs/dbraw/zinc/11/42/15/861114215.db2.gz PLEDTDFJUCPSAB-GJZGRUSLSA-N 0 0 398.536 3.794 10 30 GHEERN C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000329211071 861149720 /nfs/dbraw/zinc/14/97/20/861149720.db2.gz ZBIFWTCSOLJRGF-DYIUMCPCSA-N 0 0 396.890 3.501 10 30 GHEERN C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2)nc2ccccc2c1=O ZINC000003545559 879061327 /nfs/dbraw/zinc/06/13/27/879061327.db2.gz TWBYDTDNUAUNJH-AWEZNQCLSA-N 0 0 397.475 3.691 10 30 GHEERN C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccnc1-n1cncn1 ZINC000191500415 884182345 /nfs/dbraw/zinc/18/23/45/884182345.db2.gz MVDVVQGHLJRPSS-UHFFFAOYSA-N 0 0 376.464 3.836 10 30 GHEERN COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187042523 908025574 /nfs/dbraw/zinc/02/55/74/908025574.db2.gz BWUHKJTXMFUTFG-KRWDZBQOSA-N 0 0 385.489 3.855 10 30 GHEERN COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-n3cccc3)c(F)c2)cc1 ZINC000103799266 909250529 /nfs/dbraw/zinc/25/05/29/909250529.db2.gz IQPBWBAMIAZBQU-KRWDZBQOSA-N 0 0 377.375 3.586 10 30 GHEERN C=CC[C@@H](O)c1cc(I)cc(I)c1 ZINC000022004960 209175383 /nfs/dbraw/zinc/17/53/83/209175383.db2.gz HLGCDWVQUNVYJB-SNVBAGLBSA-N 0 0 399.997 3.505 10 30 GHEERN C=CCn1c(SCC(=O)c2ccc3cc[nH]c3c2)nnc1-c1cccnc1 ZINC000002503448 209171253 /nfs/dbraw/zinc/17/12/53/209171253.db2.gz ODNOOTGGHLQBBH-UHFFFAOYSA-N 0 0 375.457 3.982 10 30 GHEERN C=CCC[C@@H](O)CN(Cc1ccco1)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000036206994 518717841 /nfs/dbraw/zinc/71/78/41/518717841.db2.gz GAMPFORYHGAPGF-OAHLLOKOSA-N 0 0 387.505 3.524 10 30 GHEERN COc1cc(OC)c(CN=Nc2ccccc2[N+](=O)[O-])cc1Br ZINC000033391127 522787472 /nfs/dbraw/zinc/78/74/72/522787472.db2.gz WREYZRFGAJTTHT-MFOYZWKCSA-N 0 0 380.198 3.821 10 30 GHEERN C[C@H](OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000100175135 525923601 /nfs/dbraw/zinc/92/36/01/525923601.db2.gz ZYIBENCKBXFJSL-REOHCLBHSA-N 0 0 396.149 3.709 10 30 GHEERN O=C(C/C=N/OCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1 ZINC000013142114 527670885 /nfs/dbraw/zinc/67/08/85/527670885.db2.gz KWEBIGGBKUVPKA-VCHYOVAHSA-N 0 0 392.209 3.889 10 30 GHEERN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1 ZINC000003098453 570328284 /nfs/dbraw/zinc/32/82/84/570328284.db2.gz FVINQOBGWWRCAH-OAQYLSRUSA-N 0 0 395.455 3.869 10 30 GHEERN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@H]3CCc4ccccc43)CC2)cc1 ZINC000329191073 834517636 /nfs/dbraw/zinc/51/76/36/834517636.db2.gz RIBZSHJABHUFQN-OAQYLSRUSA-N 0 0 398.528 3.835 10 30 GHEERN CC(C)(C)n1cc(/C=C2\CCOc3ccc(Br)cc3C2=O)nn1 ZINC000588580967 834881806 /nfs/dbraw/zinc/88/18/06/834881806.db2.gz ZNRSQKZEHXOZGA-DHZHZOJOSA-N 0 0 376.254 3.844 10 30 GHEERN O=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000329841941 834894447 /nfs/dbraw/zinc/89/44/47/834894447.db2.gz KGENFODHAHHGFZ-IMJJTQAJSA-N 0 0 389.496 3.991 10 30 GHEERN Cc1ccc(N2CCC[C@@H](NC(=O)NCC3(c4ccc(F)cc4)CCC3)C2)nn1 ZINC000329371353 834927038 /nfs/dbraw/zinc/92/70/38/834927038.db2.gz AXPGFXBZINJQEP-LJQANCHMSA-N 0 0 397.498 3.518 10 30 GHEERN O=C(NCc1cc(F)cc2c1OCOC2)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000329425149 835017109 /nfs/dbraw/zinc/01/71/09/835017109.db2.gz FTHOTXUKTUJCIB-GOSISDBHSA-N 0 0 399.422 3.510 10 30 GHEERN COc1cc2nc(C)sc2cc1NC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000329476132 835111864 /nfs/dbraw/zinc/11/18/64/835111864.db2.gz PHVWZJUBNZHALF-CQSZACIVSA-N 0 0 390.490 3.689 10 30 GHEERN Cc1c(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)cccc1N1CCNC1=O ZINC000187300203 835211836 /nfs/dbraw/zinc/21/18/36/835211836.db2.gz YGKRBQXTIWLXCB-UHFFFAOYSA-N 0 0 382.508 3.753 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(Cl)c4cccnc34)C2)nn1 ZINC000329623603 835447689 /nfs/dbraw/zinc/44/76/89/835447689.db2.gz UVXFBCPJXPTGFT-AWEZNQCLSA-N 0 0 381.867 3.960 10 30 GHEERN N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@@]34CCOc3ccccc34)CC2)cc1 ZINC000329647755 835522475 /nfs/dbraw/zinc/52/24/75/835522475.db2.gz DYUCGOPHTKGAME-ZJSXRUAMSA-N 0 0 388.467 3.668 10 30 GHEERN Cc1ccc([C@@H]2CN(CC(=O)c3cn(CCC#N)c4ccccc34)CCO2)o1 ZINC000158885470 835581724 /nfs/dbraw/zinc/58/17/24/835581724.db2.gz MCIJTKNYGUWUNP-QFIPXVFZSA-N 0 0 377.444 3.713 10 30 GHEERN CS(=O)(=O)Nc1cc(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)ccc1F ZINC000329745115 835856024 /nfs/dbraw/zinc/85/60/24/835856024.db2.gz YEACKPCPTJJVNR-IFXJQAMLSA-N 0 0 390.436 3.526 10 30 GHEERN CCN(C(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccc(C#N)c(Cl)c1 ZINC000179526281 835862797 /nfs/dbraw/zinc/86/27/97/835862797.db2.gz FHLYPDNGGCRQOJ-UHFFFAOYSA-N 0 0 396.878 3.512 10 30 GHEERN C[C@@H]1CCCN(Cc2csc(NC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)n2)C1 ZINC000330121111 839669711 /nfs/dbraw/zinc/66/97/11/839669711.db2.gz BIMDTJLGKBCBMK-GQIGUUNPSA-N 0 0 392.569 3.548 10 30 GHEERN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)N2CC[C@H]3CCC[C@@H]32)c1 ZINC000330225444 840206676 /nfs/dbraw/zinc/20/66/76/840206676.db2.gz BDLDBMJYPSJQPP-UZLBHIALSA-N 0 0 399.516 3.932 10 30 GHEERN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)N2CC[C@@H]3CCC[C@H]32)c1 ZINC000330225439 840206688 /nfs/dbraw/zinc/20/66/88/840206688.db2.gz BDLDBMJYPSJQPP-OXJNMPFZSA-N 0 0 399.516 3.932 10 30 GHEERN O=C(NC1CC(c2cccc(Cl)c2)C1)NC1CCN(c2cccnn2)CC1 ZINC000330249928 842722295 /nfs/dbraw/zinc/72/22/95/842722295.db2.gz MVDIAVHQIATGSD-UHFFFAOYSA-N 0 0 385.899 3.549 10 30 GHEERN CCc1csc([C@@H]2CCCN(C(=O)NC[C@H]3COc4ccccc4O3)C2)n1 ZINC000329397331 861373348 /nfs/dbraw/zinc/37/33/48/861373348.db2.gz WLUFQMIPAMIBMN-ZBFHGGJFSA-N 0 0 387.505 3.639 10 30 GHEERN C[C@@H]1OCC[C@@H]1NC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000328983424 843295904 /nfs/dbraw/zinc/29/59/04/843295904.db2.gz YWZSFWNLSVUTGF-BJJXKVORSA-N 0 0 390.871 3.661 10 30 GHEERN COc1cc([C@H](C)NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)ccc1OCC(C)C ZINC000329433338 861419761 /nfs/dbraw/zinc/41/97/61/861419761.db2.gz IMZJQLONFFHOGO-USXIJHARSA-N 0 0 389.496 3.756 10 30 GHEERN C[C@H](NC(=O)N[C@@H]1CCO[C@H](c2cncn2C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000330335140 843708046 /nfs/dbraw/zinc/70/80/46/843708046.db2.gz RHCKBSYOFLRRNQ-MONNZBOPSA-N 0 0 386.540 3.749 10 30 GHEERN C[C@@H]1Oc2c(cccc2C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)NC1=O ZINC000329097243 848115601 /nfs/dbraw/zinc/11/56/01/848115601.db2.gz LOBGWNUPCAZNJJ-STQMWFEESA-N 0 0 382.464 3.869 10 30 GHEERN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+]c2ccc3c(c2)OC(F)(F)O3)C1 ZINC000329663487 861970228 /nfs/dbraw/zinc/97/02/28/861970228.db2.gz JKWHDWXUUKWDGL-CYBMUJFWSA-N 0 0 378.379 3.650 10 30 GHEERN CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1 ZINC000329675125 862006880 /nfs/dbraw/zinc/00/68/80/862006880.db2.gz OXGRRBUVHVIWCE-AWEZNQCLSA-N 0 0 393.944 3.905 10 30 GHEERN COc1c(C)cc(CN(C)CC(=O)Nc2ccccc2SCC#N)cc1C ZINC000101566403 851665815 /nfs/dbraw/zinc/66/58/15/851665815.db2.gz YDUDHYWVFABISB-UHFFFAOYSA-N 0 0 383.517 3.998 10 30 GHEERN COCCn1cc2c(n1)[C@@H](NC(=O)N[C@H]1CCCc3ccc(F)cc31)CCC2 ZINC000329999526 862493132 /nfs/dbraw/zinc/49/31/32/862493132.db2.gz UWHPSUZYNQGKOL-OALUTQOASA-N 0 0 386.471 3.627 10 30 GHEERN CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)s1 ZINC000328612877 854482797 /nfs/dbraw/zinc/48/27/97/854482797.db2.gz PWGXBWQPGXCGMR-XHSDSOJGSA-N 0 0 392.569 3.712 10 30 GHEERN C[C@H](C(=O)N[C@H]1c2ccccc2CCC1(C)C)S(=O)(=O)C1CCOCC1 ZINC000328646644 854488101 /nfs/dbraw/zinc/48/81/01/854488101.db2.gz GYTWCYMCVJQVMS-KDOFPFPSSA-N 0 0 379.522 3.639 10 30 GHEERN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000328603721 854502511 /nfs/dbraw/zinc/50/25/11/854502511.db2.gz IAXDBBIYQMHRBQ-LZWOXQAQSA-N 0 0 379.451 3.663 10 30 GHEERN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000328701603 854514915 /nfs/dbraw/zinc/51/49/15/854514915.db2.gz WUFJJELJYZYABX-FFHWLQOYSA-N 0 0 380.492 3.905 10 30 GHEERN O=C(NC1CCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1)C1CCCCC1 ZINC000328731784 854540633 /nfs/dbraw/zinc/54/06/33/854540633.db2.gz GSRBXRYAWVRSDC-QGZVFWFLSA-N 0 0 390.528 3.943 10 30 GHEERN Cc1cc(C)cc(NC(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)c1 ZINC000330102934 862576827 /nfs/dbraw/zinc/57/68/27/862576827.db2.gz INQKIJYCGPQSAG-LJQANCHMSA-N 0 0 380.492 3.997 10 30 GHEERN Cc1cn2c(n1)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c3ccc(C)cc3)C1)CCC2 ZINC000328856290 854580379 /nfs/dbraw/zinc/58/03/79/854580379.db2.gz XVCZAEIPJDDHME-UXHICEINSA-N 0 0 394.519 3.886 10 30 GHEERN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C1 ZINC000330152716 862619737 /nfs/dbraw/zinc/61/97/37/862619737.db2.gz MGALENFHGANKKC-SQGPQFPESA-N 0 0 386.471 3.571 10 30 GHEERN COc1ccc([C@@H](C)NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1F ZINC000102826092 860873731 /nfs/dbraw/zinc/87/37/31/860873731.db2.gz CASMVDGRAUCIDP-MRXNPFEDSA-N 0 0 397.450 3.739 10 30 GHEERN C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CCn2ccnc2C1 ZINC000329035646 860965296 /nfs/dbraw/zinc/96/52/96/860965296.db2.gz YNRUAONYAYMANX-OAHLLOKOSA-N 0 0 382.464 3.807 10 30 GHEERN Cc1ccc2c(c1)CC[C@H](C(=O)NC[C@H]1CC[C@@H](c3nc(C4CC4)no3)O1)O2 ZINC000329132789 861052411 /nfs/dbraw/zinc/05/24/11/861052411.db2.gz YNPAPSNDCKCYRE-NXHRZFHOSA-N 0 0 383.448 3.826 10 30 GHEERN N#CCSc1ccccc1NC(=O)CN1CCC(Nc2ccccc2F)CC1 ZINC000173536012 882377862 /nfs/dbraw/zinc/37/78/62/882377862.db2.gz BKKTUDZWYSVEEX-UHFFFAOYSA-N 0 0 398.507 3.956 10 30 GHEERN COc1ccc([C@@H](NC(=O)c2cccc(SCC#N)c2)c2nccn2C)cc1 ZINC000175550317 882596185 /nfs/dbraw/zinc/59/61/85/882596185.db2.gz QVHGFVSFJFTORQ-LJQANCHMSA-N 0 0 392.484 3.564 10 30 GHEERN N#C[C@H]1CCC[C@@H]1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000061889716 888649337 /nfs/dbraw/zinc/64/93/37/888649337.db2.gz YPYBHFIMIGGQSM-HQJQHLMTSA-N 0 0 398.109 3.726 10 30 GHEERN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000246115175 890401783 /nfs/dbraw/zinc/40/17/83/890401783.db2.gz NUNVPGLGEZOJHX-XUVXKRRUSA-N 0 0 395.503 3.580 10 30 GHEERN N#CCCN(C(=O)CCC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccccc1 ZINC000068355290 891177025 /nfs/dbraw/zinc/17/70/25/891177025.db2.gz CGIOVPVLJDQDTE-QGZVFWFLSA-N 0 0 396.516 3.576 10 30 GHEERN Cc1sc2[nH]c(Cc3noc([C@]4(C#N)CC45CCCC5)n3)nc(=O)c2c1C ZINC000333886833 902398963 /nfs/dbraw/zinc/39/89/63/902398963.db2.gz XUICQHBLQBURGF-LJQANCHMSA-N 0 0 381.461 3.713 10 30 GHEERN COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-n3cccc3)c(F)c2)cc1 ZINC000103799269 909251141 /nfs/dbraw/zinc/25/11/41/909251141.db2.gz IQPBWBAMIAZBQU-QGZVFWFLSA-N 0 0 377.375 3.586 10 30 GHEERN COc1ccc(NC(=O)c2ccc(C)c(C#Cc3cnc4ccnn4c3)c2)cc1 ZINC000095588005 212068329 /nfs/dbraw/zinc/06/83/29/212068329.db2.gz WRMITRKGBHCESG-UHFFFAOYSA-N 0 0 382.423 3.698 10 30 GHEERN C=CCN1C(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C(=O)NC1=S ZINC000001202279 209168054 /nfs/dbraw/zinc/16/80/54/209168054.db2.gz NONVXVUKTCSOGG-XNTDXEJSSA-N 0 0 397.412 3.816 10 30 GHEERN Cc1ccc(NC(=O)/C(=N/Nc2ccccc2)Sc2nncn2C)c(C)c1 ZINC000059121278 524990060 /nfs/dbraw/zinc/99/00/60/524990060.db2.gz ZRZDAYFZNBLIFH-NKFKGCMQSA-N 0 0 380.477 3.588 10 30 GHEERN Oc1ccc(Br)cc1/C=N/c1ccc(N2CCOCC2)c(F)c1 ZINC000100456927 526341393 /nfs/dbraw/zinc/34/13/93/526341393.db2.gz XEMOHTXIVVMCNS-RGVLZGJSSA-N 0 0 379.229 3.881 10 30 GHEERN O=C1c2ccccc2C(=O)N1C[C@@H]1CS/C(=N\C23CC4CC(CC(C4)C2)C3)O1 ZINC000100437365 527132210 /nfs/dbraw/zinc/13/22/10/527132210.db2.gz OERPEHRFLRRHLJ-IGSRGCKOSA-N 0 0 396.512 3.739 10 30 GHEERN O=S(=O)(c1ccc(/N=C\c2ccc(O)cc2O)cc1)N1CCc2ccccc21 ZINC000005776399 527269183 /nfs/dbraw/zinc/26/91/83/527269183.db2.gz NYSURDTYHSBZPZ-HMAPJEAMSA-N 0 0 394.452 3.600 10 30 GHEERN C[C@@H]1CN(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)C[C@@]2(CCOC2)O1 ZINC000329962155 837386908 /nfs/dbraw/zinc/38/69/08/837386908.db2.gz PAAOYIALMYKVRP-XVGQJIODSA-N 0 0 398.425 3.950 10 30 GHEERN Cc1ccc(OC2CCN(C(=O)CSCc3ccc(C#N)cc3)CC2)nc1 ZINC000180853039 837590330 /nfs/dbraw/zinc/59/03/30/837590330.db2.gz ZGJVKEFBXZMYKZ-UHFFFAOYSA-N 0 0 381.501 3.565 10 30 GHEERN O=C(N[C@@H]1CCOc2ccccc21)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000329806890 834564388 /nfs/dbraw/zinc/56/43/88/834564388.db2.gz LLTMUWXJXNGTSC-IAGOWNOFSA-N 0 0 399.878 3.863 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCC[C@H]3Cc3ccccc3)C2)nn1 ZINC000329853548 834954750 /nfs/dbraw/zinc/95/47/50/834954750.db2.gz SCJSFWDECZJBEE-PCCBWWKXSA-N 0 0 393.535 3.669 10 30 GHEERN O=C(NCCc1csc(N2CCCC2)n1)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329709978 835745444 /nfs/dbraw/zinc/74/54/44/835745444.db2.gz LXTVTKOBDVWWSO-LAUBAEHRSA-N 0 0 383.517 3.983 10 30 GHEERN O=C(CC1CCCC1)NC1CCN(C(=O)[C@H]2CCO[C@@H]2c2cccnc2)CC1 ZINC000330049369 838799853 /nfs/dbraw/zinc/79/98/53/838799853.db2.gz KTGQKYMKPFVWJT-PZJWPPBQSA-N 0 0 385.508 3.687 10 30 GHEERN Cn1cc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)c(C2CCCCC2)n1 ZINC000328770358 841192593 /nfs/dbraw/zinc/19/25/93/841192593.db2.gz QZBAELUTCJCWQG-QGZVFWFLSA-N 0 0 387.505 3.691 10 30 GHEERN CCc1cccc2c1OCC[C@H]2NC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000329304648 861265400 /nfs/dbraw/zinc/26/54/00/861265400.db2.gz XZRCEXLZBADBJD-QGZVFWFLSA-N 0 0 382.508 3.902 10 30 GHEERN C[C@H](NC(=O)N1CCCN(c2ncccc2C#N)CC1)c1ccc(Cl)cc1 ZINC000098024384 842209214 /nfs/dbraw/zinc/20/92/14/842209214.db2.gz LSCHTZSQPOSYDF-HNNXBMFYSA-N 0 0 383.883 3.590 10 30 GHEERN COCCN(Cc1ccc(C#N)cc1)C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588436602 842586285 /nfs/dbraw/zinc/58/62/85/842586285.db2.gz ODJDTHCEAMVNTA-SSZFMOIBSA-N 0 0 379.416 3.545 10 30 GHEERN COCCn1cc2c(n1)[C@H](NC(=O)N1CCCC[C@H]1c1nccs1)CCC2 ZINC000329577236 861694934 /nfs/dbraw/zinc/69/49/34/861694934.db2.gz OODQHQXSICJJDF-CVEARBPZSA-N 0 0 389.525 3.505 10 30 GHEERN C[C@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1ccc(OCC2CC2)c(F)c1 ZINC000329591870 861725619 /nfs/dbraw/zinc/72/56/19/861725619.db2.gz ZATLATYVPQYJLE-XGWLTEMNSA-N 0 0 375.444 3.640 10 30 GHEERN COCCn1cc2c(n1)[C@H](NC(=O)N1CCC[C@@H]1c1cccc(F)c1)CCC2 ZINC000329604569 861753191 /nfs/dbraw/zinc/75/31/91/861753191.db2.gz YXHNGWQLHRQEEV-RTBURBONSA-N 0 0 386.471 3.797 10 30 GHEERN COc1ccc(C(=O)/C=C\c2cnn(Cc3ccc(F)cc3)c2)cc1NC(C)=O ZINC000588534918 847820257 /nfs/dbraw/zinc/82/02/57/847820257.db2.gz ZWLDMLNQBPRYNG-UITAMQMPSA-N 0 0 393.418 3.934 10 30 GHEERN COC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000154898696 849396115 /nfs/dbraw/zinc/39/61/15/849396115.db2.gz BUBYJVXNPWCEBF-OALUTQOASA-N 0 0 394.496 3.721 10 30 GHEERN CN(CC#N)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 ZINC000101866699 851961344 /nfs/dbraw/zinc/96/13/44/851961344.db2.gz VANWPJOBUDKURU-GIVPXCGWSA-N 0 0 375.472 3.595 10 30 GHEERN COCCn1cc2c(n1)[C@H](NC(=O)N[C@@H]1CC(C)(C)Oc3ccccc31)CCC2 ZINC000329769500 862307137 /nfs/dbraw/zinc/30/71/37/862307137.db2.gz FKPPYMPSRASRIE-QZTJIDSGSA-N 0 0 398.507 3.713 10 30 GHEERN Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000329804186 862331661 /nfs/dbraw/zinc/33/16/61/862331661.db2.gz KCOWFRGKPMGSIP-NSHGMRRFSA-N 0 0 385.485 3.948 10 30 GHEERN Cc1ccccc1C1(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)CCOCC1 ZINC000329852159 862373838 /nfs/dbraw/zinc/37/38/38/862373838.db2.gz RGYSBPSRXPXNSV-QGZVFWFLSA-N 0 0 382.508 3.730 10 30 GHEERN N#Cc1ccc(Br)cc1NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000184069215 852685066 /nfs/dbraw/zinc/68/50/66/852685066.db2.gz OVOOJRKUBLRLNL-ZDUSSCGKSA-N 0 0 388.196 3.524 10 30 GHEERN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)N[C@@H]3CCC(=O)NC34CCC4)nc2c1 ZINC000328721601 854503967 /nfs/dbraw/zinc/50/39/67/854503967.db2.gz WZLMRIVYNDTPNL-DLBZAZTESA-N 0 0 381.480 3.964 10 30 GHEERN C[C@H](C(=O)Nc1ccccc1Br)N1CCC[C@H](n2cccn2)C1 ZINC000328687544 854509047 /nfs/dbraw/zinc/50/90/47/854509047.db2.gz HCSLVWONPSEZFJ-KGLIPLIRSA-N 0 0 377.286 3.959 10 30 GHEERN O=C(N[C@H]1CCC(=O)NC12CCC2)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000328694627 854512066 /nfs/dbraw/zinc/51/20/66/854512066.db2.gz KBHLTAATGSARPN-GJZGRUSLSA-N 0 0 375.856 3.691 10 30 GHEERN CN1CC[C@H](NC(=O)N[C@@H]2CCC(=O)NC2(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328714299 854519229 /nfs/dbraw/zinc/51/92/29/854519229.db2.gz CIVMGBRXOYISRL-ZMSDIMECSA-N 0 0 396.894 3.625 10 30 GHEERN COc1cc(OC)cc(C2(O)CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000301615639 855726441 /nfs/dbraw/zinc/72/64/41/855726441.db2.gz BQAMGWISAUMDBK-UHFFFAOYSA-N 0 0 389.455 3.612 10 30 GHEERN Cn1nccc1[C@@H]1[C@H](C(=O)N[C@H]2CCCc3ccccc32)CCC(=O)N1C1CC1 ZINC000330288829 862724659 /nfs/dbraw/zinc/72/46/59/862724659.db2.gz DHRKBQJPYGRRFY-DXIQSLLYSA-N 0 0 392.503 3.896 10 30 GHEERN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159703086 862939066 /nfs/dbraw/zinc/93/90/66/862939066.db2.gz XEDDXEYXKYAUPD-UHFFFAOYSA-N 0 0 380.467 3.801 10 30 GHEERN Cc1c2ccccc2oc1[C@H](NC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1)C(C)C ZINC000329050656 860978832 /nfs/dbraw/zinc/97/88/32/860978832.db2.gz KSBAMQUPADCVLE-YSIASYRMSA-N 0 0 385.508 3.757 10 30 GHEERN Cc1ccccc1COc1cccc(NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c1 ZINC000329058260 860981137 /nfs/dbraw/zinc/98/11/37/860981137.db2.gz YIPQSVUXBFMNHQ-FCHUYYIVSA-N 0 0 395.503 3.524 10 30 GHEERN Cc1ccccc1COc1cccc(NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c1 ZINC000329058266 860981931 /nfs/dbraw/zinc/98/19/31/860981931.db2.gz YIPQSVUXBFMNHQ-YADHBBJMSA-N 0 0 395.503 3.524 10 30 GHEERN N#CCOc1ccc(CNC(=O)N2CCC(Nc3ccccc3F)CC2)cc1 ZINC000174660329 882490711 /nfs/dbraw/zinc/49/07/11/882490711.db2.gz BSNFZLDWRWPJKB-UHFFFAOYSA-N 0 0 382.439 3.514 10 30 GHEERN N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000249508554 872714600 /nfs/dbraw/zinc/71/46/00/872714600.db2.gz LDWICJVWENIPIH-IAGOWNOFSA-N 0 0 394.441 3.901 10 30 GHEERN CC[C@H](C#N)Oc1cc(CNC(=O)[C@H]2Oc3ccccc3[C@H]2C)ccc1OC ZINC000117670371 874082983 /nfs/dbraw/zinc/08/29/83/874082983.db2.gz VOGBOZYXDGTHPW-NVAPDCRFSA-N 0 0 380.444 3.557 10 30 GHEERN COc1cc(/C=C/C(=O)N[C@@H](c2ccccc2)c2ccccn2)ccc1OCC#N ZINC000023996882 878009143 /nfs/dbraw/zinc/00/91/43/878009143.db2.gz VCVQRGPXGIRXBG-CWSBKQHBSA-N 0 0 399.450 3.912 10 30 GHEERN N#C[C@@H]1CN(C(=O)Nc2ccc(-c3ncco3)cc2)CCN1Cc1ccccc1 ZINC000182584448 883226710 /nfs/dbraw/zinc/22/67/10/883226710.db2.gz IOHOOLYHUNHIMS-HXUWFJFHSA-N 0 0 387.443 3.583 10 30 GHEERN C=C(C)[C@@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccc(F)c(F)c1 ZINC000184854524 883385680 /nfs/dbraw/zinc/38/56/80/883385680.db2.gz JJUIPUGWJASPDK-HXUWFJFHSA-N 0 0 399.441 3.646 10 30 GHEERN CC(=O)N1CC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)c2ccc(F)cc2C1 ZINC000185533003 883551356 /nfs/dbraw/zinc/55/13/56/883551356.db2.gz UKQNQCTWBWNURI-OAQYLSRUSA-N 0 0 391.446 3.604 10 30 GHEERN Cc1cc(C)c(N2CC[C@H](NC(=O)c3cccc(SCC#N)c3)C2=O)c(C)c1 ZINC000190558611 884097423 /nfs/dbraw/zinc/09/74/23/884097423.db2.gz DJRMONJSZNDZBI-IBGZPJMESA-N 0 0 393.512 3.763 10 30 GHEERN Cc1cccc(-c2noc(Cn3cc(C#N)c(=O)c4cc(Cl)ccc43)n2)c1 ZINC000103261329 884897910 /nfs/dbraw/zinc/89/79/10/884897910.db2.gz MBNAZCNOLRSJJG-UHFFFAOYSA-N 0 0 376.803 3.933 10 30 GHEERN N#CCOc1ccc(/C=C/C(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1 ZINC000101532028 885946789 /nfs/dbraw/zinc/94/67/89/885946789.db2.gz IEVNJACQWNFNSL-XCVCLJGOSA-N 0 0 391.402 3.755 10 30 GHEERN N#CCOc1ccc(/C=C/C(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1 ZINC000129170575 887268059 /nfs/dbraw/zinc/26/80/59/887268059.db2.gz AWOXBBQXRNEMGG-OXHGWOFKSA-N 0 0 376.456 3.574 10 30 GHEERN Cc1oc(NC(=O)[C@H](C)N2CC3(CCOCC3)c3ccccc32)c(C#N)c1C ZINC000192282585 892342465 /nfs/dbraw/zinc/34/24/65/892342465.db2.gz ODIAHHRKAPGBDF-HNNXBMFYSA-N 0 0 379.460 3.664 10 30 GHEERN COc1ccccc1NC(=S)N/N=C(/C)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000035596649 524632838 /nfs/dbraw/zinc/63/28/38/524632838.db2.gz WUBIXVLHXNWDPT-GRSHGNNSSA-N 0 0 378.841 3.967 10 30 GHEERN O=[N+]([O-])c1ccccc1/C=N\c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000005771420 527397430 /nfs/dbraw/zinc/39/74/30/527397430.db2.gz CDUIUMNMCZVHDQ-HKWRFOASSA-N 0 0 387.461 3.910 10 30 GHEERN C[C@@H]1CN(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)C[C@]2(CCOC2)O1 ZINC000329962154 837386057 /nfs/dbraw/zinc/38/60/57/837386057.db2.gz PAAOYIALMYKVRP-FMEYXAORSA-N 0 0 398.425 3.950 10 30 GHEERN COc1cc2nc(C)sc2cc1NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000329402368 834981841 /nfs/dbraw/zinc/98/18/41/834981841.db2.gz BRTQNLAANTXRAF-UHFFFAOYSA-N 0 0 385.493 3.768 10 30 GHEERN Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC(Cc4ccccc4)CC3)C2)nn1 ZINC000329563232 835255529 /nfs/dbraw/zinc/25/55/29/835255529.db2.gz GRZCSBOOOHHKJO-OAQYLSRUSA-N 0 0 393.535 3.623 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@H](c3ccccc3C)C3CC3)C2)nn1 ZINC000329641344 835507468 /nfs/dbraw/zinc/50/74/68/835507468.db2.gz ZSBYZOWBOYAJSQ-RXVVDRJESA-N 0 0 379.508 3.717 10 30 GHEERN N#CCc1cccc(OS(=O)(=O)/C=C\c2cccc(Br)c2)c1 ZINC000588589952 835784007 /nfs/dbraw/zinc/78/40/07/835784007.db2.gz RYMJTIGVZVQKQH-NTMALXAHSA-N 0 0 378.247 3.895 10 30 GHEERN Cc1nc(C[C@@H]2CCCN(C(=O)NC[C@@H]3CCCC[C@@H]3C(F)(F)F)C2)no1 ZINC000330127325 839709694 /nfs/dbraw/zinc/70/96/94/839709694.db2.gz MVCQYSVOOMPEMT-KKUMJFAQSA-N 0 0 388.434 3.915 10 30 GHEERN C[C@@H]1OCC[C@@H]1NC(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000328908190 842873086 /nfs/dbraw/zinc/87/30/86/842873086.db2.gz CSMDTFITCKDEDV-JZXOWHBKSA-N 0 0 390.528 3.853 10 30 GHEERN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[C@H](C)c4cccc(O)c43)C2)n1 ZINC000408269804 843684633 /nfs/dbraw/zinc/68/46/33/843684633.db2.gz SXVUBXXQMUWWAK-YJBOKZPZSA-N 0 0 390.487 3.724 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N(Cc3ccc(C)c(C)c3)C3CC3)C2)nn1 ZINC000329573780 861693198 /nfs/dbraw/zinc/69/31/98/861693198.db2.gz NNEUJLYBOCRURD-FQEVSTJZSA-N 0 0 393.535 3.949 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CCCO[C@@H]3c3ccccc3)C2)nn1 ZINC000329580299 861707753 /nfs/dbraw/zinc/70/77/53/861707753.db2.gz KXMNWHIWHFQVLO-QKNQBKEWSA-N 0 0 380.492 3.878 10 30 GHEERN Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000329804185 862331402 /nfs/dbraw/zinc/33/14/02/862331402.db2.gz KCOWFRGKPMGSIP-BJLQDIEVSA-N 0 0 385.485 3.948 10 30 GHEERN CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)C12CCOCC2 ZINC000330054899 862537760 /nfs/dbraw/zinc/53/77/60/862537760.db2.gz STNMUOMJFKABNG-QLFBSQMISA-N 0 0 392.462 3.785 10 30 GHEERN O=C(NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330075874 862556570 /nfs/dbraw/zinc/55/65/70/862556570.db2.gz DKQDASCSBJXYAH-RVSPLBMKSA-N 0 0 394.397 3.594 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H](C)c1cccc(N3CCCC3)c1)CCC2 ZINC000328636388 854485487 /nfs/dbraw/zinc/48/54/87/854485487.db2.gz AHSZACVSMKCNLL-HKUYNNGSSA-N 0 0 381.524 3.934 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CCc3[nH]nc(C(F)(F)F)c3C1)CCC2 ZINC000328718545 854502298 /nfs/dbraw/zinc/50/22/98/854502298.db2.gz PWFIHMCFAYHMQO-NEPJUHHUSA-N 0 0 381.402 3.572 10 30 GHEERN C[C@H](NC(=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1)C1CCOCC1 ZINC000328702050 854515003 /nfs/dbraw/zinc/51/50/03/854515003.db2.gz JMDLCQMFHYEWGL-DCPHZVHLSA-N 0 0 387.455 3.861 10 30 GHEERN C[C@H](CCc1ccc2c(c1)OCO2)[NH+]=C([O-])N1CCC(c2nccs2)CC1 ZINC000328774919 854536572 /nfs/dbraw/zinc/53/65/72/854536572.db2.gz SFTBZSFRUUDDOM-CQSZACIVSA-N 0 0 387.505 3.987 10 30 GHEERN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000328836247 854569690 /nfs/dbraw/zinc/56/96/90/854569690.db2.gz MPUXTJBESHGTNO-APWZRJJASA-N 0 0 392.927 3.944 10 30 GHEERN O=C(CN1C[C@H](O)C[C@H]1c1cccc(F)c1)Nc1nc2c(s1)CCCC2 ZINC000328996575 854645315 /nfs/dbraw/zinc/64/53/15/854645315.db2.gz UNWPXFMJLJSSCC-ZBFHGGJFSA-N 0 0 375.469 3.557 10 30 GHEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000330238841 862684260 /nfs/dbraw/zinc/68/42/60/862684260.db2.gz DNWJUWVYGWZBAU-CGTJXYLNSA-N 0 0 385.439 3.563 10 30 GHEERN N#Cc1c2c(sc1NC(=O)[C@H]1CCCCN1C(=O)c1cccnc1)CCCC2 ZINC000172678555 856534454 /nfs/dbraw/zinc/53/44/54/856534454.db2.gz DMINBMSBAGBXQZ-QGZVFWFLSA-N 0 0 394.500 3.527 10 30 GHEERN N#Cc1ccc(NC(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1Cl ZINC000112415118 857132598 /nfs/dbraw/zinc/13/25/98/857132598.db2.gz MMBVRGBKENQULW-UHFFFAOYSA-N 0 0 388.880 3.653 10 30 GHEERN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 ZINC000329012125 860946944 /nfs/dbraw/zinc/94/69/44/860946944.db2.gz IMCPUTQQPDIFAX-OXQOHEQNSA-N 0 0 399.491 3.593 10 30 GHEERN C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CCn2ccnc2C1 ZINC000329035645 860965655 /nfs/dbraw/zinc/96/56/55/860965655.db2.gz YNRUAONYAYMANX-HNNXBMFYSA-N 0 0 382.464 3.807 10 30 GHEERN Cc1noc([C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C2CCOCC2)n1 ZINC000329133089 861054090 /nfs/dbraw/zinc/05/40/90/861054090.db2.gz PKYROPODPVPYPF-ZMSDIMECSA-N 0 0 377.391 3.884 10 30 GHEERN COc1ccc([C@H](NC(=O)c2cccc(SCC#N)c2)c2nccn2C)cc1 ZINC000175550335 882596049 /nfs/dbraw/zinc/59/60/49/882596049.db2.gz QVHGFVSFJFTORQ-IBGZPJMESA-N 0 0 392.484 3.564 10 30 GHEERN C=CCn1c(-c2cccnc2)nn(CN(C)CCc2ccccc2OC)c1=S ZINC000104653839 874611627 /nfs/dbraw/zinc/61/16/27/874611627.db2.gz LGHQQRZHHNDRDG-UHFFFAOYSA-N 0 0 395.532 3.803 10 30 GHEERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)CCc3c(C)nn(CCC#N)c3C)C2)cc1 ZINC000121948610 878061915 /nfs/dbraw/zinc/06/19/15/878061915.db2.gz FMOVWLUKMACNNU-OXQOHEQNSA-N 0 0 394.519 3.759 10 30 GHEERN COc1cc(/C=C/C(=O)N2CC=C(c3ccc(O)cc3)CC2)ccc1OCC#N ZINC000186713622 883695243 /nfs/dbraw/zinc/69/52/43/883695243.db2.gz MRIYPNHDIFFWSG-YCRREMRBSA-N 0 0 390.439 3.632 10 30 GHEERN COc1ccc(CN2CCn3c(C(C)C)nnc3[C@H]2C)cc1OCCCC#N ZINC000188463725 883851984 /nfs/dbraw/zinc/85/19/84/883851984.db2.gz DYFJBXZSYVXGRC-MRXNPFEDSA-N 0 0 383.496 3.669 10 30 GHEERN CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000104417659 885424017 /nfs/dbraw/zinc/42/40/17/885424017.db2.gz BCLQFAVWCNGVKK-HXUWFJFHSA-N 0 0 377.444 3.936 10 30 GHEERN Cc1nc([C@@H](NCc2ccc(N(C)CCC#N)cc2)c2ccccc2F)no1 ZINC000114773494 886326139 /nfs/dbraw/zinc/32/61/39/886326139.db2.gz QGCRKGQAWAGCJD-FQEVSTJZSA-N 0 0 379.439 3.746 10 30 GHEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000105050414 887341115 /nfs/dbraw/zinc/34/11/15/887341115.db2.gz OXJMVLYTBSGUOH-UHFFFAOYSA-N 0 0 394.431 3.724 10 30 GHEERN CCCCCCCS(=O)(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000195455388 888667042 /nfs/dbraw/zinc/66/70/42/888667042.db2.gz XFVMVEJCXZVNLJ-LJQANCHMSA-N 0 0 384.517 3.509 10 30 GHEERN CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000105909105 890943961 /nfs/dbraw/zinc/94/39/61/890943961.db2.gz BOHHMAZUUTWNBT-YLJYHZDGSA-N 0 0 375.472 3.829 10 30 GHEERN COc1nc(C)c(Br)cc1-c1noc([C@@]2(C#N)CC23CCCC3)n1 ZINC000333856495 902373669 /nfs/dbraw/zinc/37/36/69/902373669.db2.gz QPFSGMFHCNLQLU-KRWDZBQOSA-N 0 0 389.253 3.937 10 30 GHEERN S=C1N=NC(COc2ccccc2)N1N=Cc1ccc(Br)cc1 ZINC000015987996 210180855 /nfs/dbraw/zinc/18/08/55/210180855.db2.gz FMBFBOMSPIWTGM-ZDLGFXPLSA-N 0 0 389.278 3.791 10 30 GHEERN COC(=O)c1ccc(/N=C2/S/C(=C/c3cc(C)n(C)c3C)C(=O)N2C)cc1 ZINC000103696700 521939614 /nfs/dbraw/zinc/93/96/14/521939614.db2.gz QMORSIQLIJBOBO-QTFLQNGUSA-N 0 0 383.473 3.662 10 30 GHEERN CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]21C ZINC000503983163 527118412 /nfs/dbraw/zinc/11/84/12/527118412.db2.gz FNGSLGMFTHFCNV-YIKXZWIRSA-N 0 0 398.499 3.563 10 30 GHEERN C=CCc1cc(OC)c(O[C@@H](C)[C@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000013311355 574413093 /nfs/dbraw/zinc/41/30/93/574413093.db2.gz IQBXVNSNERBTIG-QKKBWIMNSA-N 0 0 388.460 3.950 10 30 endogenous,in-man GHEERN Cn1c(=O)sc2cc(C=CC(=O)c3ccc(C(F)(F)F)[nH]c3=O)ccc21 ZINC000588598464 834541070 /nfs/dbraw/zinc/54/10/70/834541070.db2.gz MYYAOVZBAIOUFI-UTCJRWHESA-N 0 0 380.347 3.616 10 30 GHEERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000329233840 834587197 /nfs/dbraw/zinc/58/71/97/834587197.db2.gz HFKJILFBVCDJID-RBUKOAKNSA-N 0 0 394.512 3.922 10 30 GHEERN C[C@@H]1CCC[C@@H](CC(=O)NC[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)C1 ZINC000329894491 835297709 /nfs/dbraw/zinc/29/77/09/835297709.db2.gz BHTXZKUELCASHY-NCOADZHNSA-N 0 0 377.508 3.632 10 30 GHEERN Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(Cl)cc4cccnc43)C2)nn1 ZINC000329626398 835462484 /nfs/dbraw/zinc/46/24/84/835462484.db2.gz VKSGJUFPVJKBPX-MRXNPFEDSA-N 0 0 381.867 3.960 10 30 GHEERN CC(C)(C)c1cc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)c(C#N)s1 ZINC000179548320 835867189 /nfs/dbraw/zinc/86/71/89/835867189.db2.gz AHAVXVUFHWRKCL-UHFFFAOYSA-N 0 0 396.516 3.803 10 30 GHEERN N#CCOc1ccc(/C=C/C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)cc1 ZINC000103445544 837332120 /nfs/dbraw/zinc/33/21/20/837332120.db2.gz HEQNKTIWZSXKCL-JRMCHAMMSA-N 0 0 382.847 3.856 10 30 GHEERN N#Cc1cc(NC(=O)N2CCC(n3cncn3)CC2)ccc1Oc1ccccc1 ZINC000189474754 838265452 /nfs/dbraw/zinc/26/54/52/838265452.db2.gz WVPGOUQNQIBREF-UHFFFAOYSA-N 0 0 388.431 3.811 10 30 GHEERN C[C@@H]1CCCN(Cc2csc(NC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)n2)C1 ZINC000330121115 839670263 /nfs/dbraw/zinc/67/02/63/839670263.db2.gz BIMDTJLGKBCBMK-QINHECLXSA-N 0 0 392.569 3.548 10 30 GHEERN COc1cc2nc(C)sc2cc1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000330134393 839762317 /nfs/dbraw/zinc/76/23/17/839762317.db2.gz RYURRMSBZIPSDV-YJYMSZOUSA-N 0 0 375.494 3.786 10 30 GHEERN N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000045439590 841685389 /nfs/dbraw/zinc/68/53/89/841685389.db2.gz LDWICJVWENIPIH-IRXDYDNUSA-N 0 0 394.441 3.901 10 30 GHEERN CC(C)c1noc(-c2ccccc2C(=O)NC2CCN(C(=O)C3CC3)CC2)n1 ZINC000328837106 842415171 /nfs/dbraw/zinc/41/51/71/842415171.db2.gz MXNWWMZAPDILNW-UHFFFAOYSA-N 0 0 382.464 3.566 10 30 GHEERN N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000061889715 843016801 /nfs/dbraw/zinc/01/68/01/843016801.db2.gz YPYBHFIMIGGQSM-RDDDGLTNSA-N 0 0 398.109 3.726 10 30 GHEERN Cc1nn(Cc2ccc(C)cc2)c(C)c1CNc1cnn(-c2ncccc2C#N)c1 ZINC000185842650 861658502 /nfs/dbraw/zinc/65/85/02/861658502.db2.gz IISCGWUQZGUQMA-UHFFFAOYSA-N 0 0 397.486 3.921 10 30 GHEERN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)C1 ZINC000329564815 861671483 /nfs/dbraw/zinc/67/14/83/861671483.db2.gz SKMUAMQXDXBEAD-DBXWQHBBSA-N 0 0 396.491 3.892 10 30 GHEERN COCCn1cc2c(n1)[C@H](NC(=O)N1CCCC[C@@H]1c1nccs1)CCC2 ZINC000329577237 861695266 /nfs/dbraw/zinc/69/52/66/861695266.db2.gz OODQHQXSICJJDF-HZPDHXFCSA-N 0 0 389.525 3.505 10 30 GHEERN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000329814857 850010442 /nfs/dbraw/zinc/01/04/42/850010442.db2.gz NSQHXCXPBPPQBA-IKGGRYGDSA-N 0 0 379.526 3.664 10 30 GHEERN CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000329784263 862318989 /nfs/dbraw/zinc/31/89/89/862318989.db2.gz VUPLIBOOWBGPIS-XIRDDKMYSA-N 0 0 392.569 3.582 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)C2)nn1 ZINC000329916727 862419910 /nfs/dbraw/zinc/41/99/10/862419910.db2.gz DUWNRPGPRZPBRA-FUHWJXTLSA-N 0 0 395.507 3.560 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@@H]1c1cccc3c1OCCO3)CCC2 ZINC000328649605 854488794 /nfs/dbraw/zinc/48/87/94/854488794.db2.gz ITGNGEKMXMZJFC-FUHWJXTLSA-N 0 0 396.491 3.591 10 30 GHEERN Cc1ccc([C@H](CNC(=O)C[C@@H]2CCCCC(=O)N2)N2CCOCC2)s1 ZINC000328667328 854496968 /nfs/dbraw/zinc/49/69/68/854496968.db2.gz KSPWSTROOXKQIL-HOTGVXAUSA-N 0 0 379.526 3.676 10 30 GHEERN C[C@H](Cc1ccccc1Br)NC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000328875331 854593697 /nfs/dbraw/zinc/59/36/97/854593697.db2.gz JTDOZQBCAQQXAY-RGYTYGDFSA-N 0 0 394.313 3.781 10 30 GHEERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000328918690 854622198 /nfs/dbraw/zinc/62/21/98/854622198.db2.gz AKOATXXHLGWHPX-IIDMSEBBSA-N 0 0 388.899 3.777 10 30 GHEERN O=C(NC1CCCCC1)C1=C(NNc2ccccc2)C(=O)N(C2CCCCC2)C1 ZINC000109658440 856646842 /nfs/dbraw/zinc/64/68/42/856646842.db2.gz XBZOTNCMXCGNJC-FLKYFCFGSA-N 0 0 396.535 3.695 10 30 GHEERN N#Cc1ccccc1OC1CCC(NC(=O)N2CCC(c3cc[nH]n3)CC2)CC1 ZINC000159685401 862913733 /nfs/dbraw/zinc/91/37/33/862913733.db2.gz FFSAMFHEZSSYND-UHFFFAOYSA-N 0 0 393.491 3.561 10 30 GHEERN N#C[C@@H]1N(C(=O)C[C@@H]2Sc3ccccc3NC2=O)CCC[C@]12CCCCO2 ZINC000329031266 860961446 /nfs/dbraw/zinc/96/14/46/860961446.db2.gz XEBJVFOSEXFMOL-ABSDTBQOSA-N 0 0 385.489 3.593 10 30 GHEERN CN1CCO[C@H]2CCN(C(=O)Nc3ccccc3Oc3cccc(F)c3)C[C@H]21 ZINC000329042264 860969972 /nfs/dbraw/zinc/96/99/72/860969972.db2.gz TVXFEVNURCIGLG-QUCCMNQESA-N 0 0 385.439 3.568 10 30 GHEERN Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CC[C@H](c3nc(C4CC4)no3)C2)c(C)c1 ZINC000329067672 860989745 /nfs/dbraw/zinc/98/97/45/860989745.db2.gz XDPSVAYCNSGQSW-HOCLYGCPSA-N 0 0 397.479 3.944 10 30 GHEERN Cc1noc([C@H](NC(=O)N[C@H]2CCCc3cc(F)ccc32)C2CCOCC2)n1 ZINC000329205624 861139401 /nfs/dbraw/zinc/13/94/01/861139401.db2.gz XBMNGSMCWSEYNQ-ZWKOTPCHSA-N 0 0 388.443 3.566 10 30 GHEERN CC(C)CCN(CCC#N)C(=O)Cn1c2ccccc2nc1-c1cscn1 ZINC000103440473 863985177 /nfs/dbraw/zinc/98/51/77/863985177.db2.gz XXIRHBCYZYLGQV-UHFFFAOYSA-N 0 0 381.505 3.948 10 30 GHEERN Cc1csc([C@H]2CCCN(C(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)C2)n1 ZINC000173554374 882380275 /nfs/dbraw/zinc/38/02/75/882380275.db2.gz FXPTUZVWWVXLIB-HNNXBMFYSA-N 0 0 396.516 3.597 10 30 GHEERN Cc1ccc(N2CCC(NC(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)nc1 ZINC000174907363 882506376 /nfs/dbraw/zinc/50/63/76/882506376.db2.gz OFMBWHUUJMMBOE-UHFFFAOYSA-N 0 0 377.492 3.982 10 30 GHEERN Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000102745942 884398779 /nfs/dbraw/zinc/39/87/79/884398779.db2.gz SAKJBJIXRRDXLG-UHFFFAOYSA-N 0 0 376.407 3.810 10 30 GHEERN Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2CC(=O)Nc1sc(C)c(C)c1C#N ZINC000242242312 211975382 /nfs/dbraw/zinc/97/53/82/211975382.db2.gz XTTZELLWIMTXAP-CYBMUJFWSA-N 0 0 397.426 3.694 10 30 GHEERN O=C(NO)c1ccc2c(c1)CN(C(=O)/C(=C/c1ccccc1)c1ccccc1)CC2 ZINC000095575324 211278888 /nfs/dbraw/zinc/27/88/88/211278888.db2.gz FUWABEGVUSKVPF-HZHRSRAPSA-N 0 0 398.462 3.931 10 30 GHEERN C=CCNC(=O)c1cnc(-c2ccc3c(c2)OCO3)nc1Nc1ccc(F)cc1 ZINC000034921938 518945570 /nfs/dbraw/zinc/94/55/70/518945570.db2.gz KLLGKVXHUPFQGK-UHFFFAOYSA-N 0 0 392.390 3.671 10 30 GHEERN COc1ccc(/C=N\c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC ZINC000005720736 523460574 /nfs/dbraw/zinc/46/05/74/523460574.db2.gz CWAAEQNZDVOOCP-QNGOZBTKSA-N 0 0 388.489 3.629 10 30 GHEERN COc1cccc(OC)c1CNC(=N)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000043133346 571095304 /nfs/dbraw/zinc/09/53/04/571095304.db2.gz OCKRSMQHUABNKG-UHFFFAOYSA-N 0 0 386.452 3.702 10 30 GHEERN O=C1/C(=C/c2cocn2)CN(Cc2ccc(Cl)cc2)C/C1=C\c1cocn1 ZINC000588578661 834632075 /nfs/dbraw/zinc/63/20/75/834632075.db2.gz FIBAPQOYKVTGGJ-IAGONARPSA-N 0 0 381.819 3.868 10 30 GHEERN COc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000329267661 834677100 /nfs/dbraw/zinc/67/71/00/834677100.db2.gz GCOHHYSVYNQVAY-SFHVURJKSA-N 0 0 382.508 3.902 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)NC(C)(C)c3cccc(Cl)c3)C2)nn1 ZINC000329402092 834981210 /nfs/dbraw/zinc/98/12/10/834981210.db2.gz BPFKKDNYGVRJQH-KRWDZBQOSA-N 0 0 387.915 3.846 10 30 GHEERN Cc1nc([C@@H](C)NC(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)cs1 ZINC000329506491 835159501 /nfs/dbraw/zinc/15/95/01/835159501.db2.gz ZQHZOOKQXMQCHX-CYBMUJFWSA-N 0 0 391.541 3.533 10 30 GHEERN C[C@H](NC(=O)N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1)[C@@H]1CCCO1 ZINC000329578893 835283318 /nfs/dbraw/zinc/28/33/18/835283318.db2.gz UAUQVQOSHUJJCD-XIRDDKMYSA-N 0 0 375.517 3.513 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N3CC4(CCC4)c4c3cccc4F)C2)nn1 ZINC000329660522 835548735 /nfs/dbraw/zinc/54/87/35/835548735.db2.gz IGGHCSKXVSMUTP-INIZCTEOSA-N 0 0 395.482 3.749 10 30 GHEERN N#Cc1ccc(OCc2cccc(C(=O)N3CCCC[C@H]3c3nc[nH]n3)c2)cc1 ZINC000181362780 838000766 /nfs/dbraw/zinc/00/07/66/838000766.db2.gz SLWUGAXVPBCPRV-FQEVSTJZSA-N 0 0 387.443 3.623 10 30 GHEERN Cc1ccc([C@H]2CN(C(=O)c3occc3COc3cccc(C#N)c3)CCO2)o1 ZINC000127138367 838287385 /nfs/dbraw/zinc/28/73/85/838287385.db2.gz YXTUTMJZOHESGG-HXUWFJFHSA-N 0 0 392.411 3.845 10 30 GHEERN Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCNC1=O ZINC000328733086 839571127 /nfs/dbraw/zinc/57/11/27/839571127.db2.gz XTRIVGUQGSFLCP-SCTDSRPQSA-N 0 0 382.464 3.642 10 30 GHEERN CC(C)[C@H](NC(=O)CN1CCO[C@@H]2CCCC[C@H]21)c1ccc2c(c1)OCCO2 ZINC000328741352 839683751 /nfs/dbraw/zinc/68/37/51/839683751.db2.gz IXJYIVMUPLRMIS-HMFYCAOWSA-N 0 0 388.508 3.755 10 30 GHEERN O=C(NCc1nc(-c2ccccc2F)cs1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000330229615 840316490 /nfs/dbraw/zinc/31/64/90/840316490.db2.gz QEIRHYGVJQWJAM-JLTOFOAXSA-N 0 0 389.496 3.990 10 30 GHEERN O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@H]1CCC(=O)c2ccccc21 ZINC000329311885 861275561 /nfs/dbraw/zinc/27/55/61/861275561.db2.gz ZWDOWSXJUOBTRY-SKDZVZGDSA-N 0 0 381.432 3.884 10 30 GHEERN O=C(NCC1(c2ccc(Br)s2)CCC1)N1CC[C@@H](CCO)C1 ZINC000329351192 861314580 /nfs/dbraw/zinc/31/45/80/861314580.db2.gz UATNJMFBYMAJPE-LBPRGKRZSA-N 0 0 387.343 3.551 10 30 GHEERN C[C@H](NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2 ZINC000328917617 842887338 /nfs/dbraw/zinc/88/73/38/842887338.db2.gz KVNFHHXIXRDKPA-YOEHRIQHSA-N 0 0 396.443 3.999 10 30 GHEERN Cc1ccc(NC(=O)N2CC[C@H]3CCC[C@H]32)cc1S(=O)(=O)N1CCCCC1 ZINC000330265456 843281044 /nfs/dbraw/zinc/28/10/44/843281044.db2.gz ZHAWTHDMKLFIGY-SJLPKXTDSA-N 0 0 391.537 3.590 10 30 GHEERN CC(C)(C#N)c1ccc(NC(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1 ZINC000112418449 843349914 /nfs/dbraw/zinc/34/99/14/843349914.db2.gz VLWUYYDRCNOHNC-UHFFFAOYSA-N 0 0 396.516 3.929 10 30 GHEERN N#Cc1cccnc1-n1cc(NCc2c[nH]nc2-c2cccc(Cl)c2)cn1 ZINC000185837146 861611190 /nfs/dbraw/zinc/61/11/90/861611190.db2.gz SYSBOIGRNZMUJN-UHFFFAOYSA-N 0 0 375.823 3.795 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCO[C@@H](c3cccc(Cl)c3)C1)CCC2 ZINC000329838657 862361938 /nfs/dbraw/zinc/36/19/38/862361938.db2.gz NLVXEOXFUGCNGV-FUHWJXTLSA-N 0 0 388.899 3.710 10 30 GHEERN CCO[C@@H]1C[C@H](NC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)C12CCOCC2 ZINC000330054900 862537823 /nfs/dbraw/zinc/53/78/23/862537823.db2.gz STNMUOMJFKABNG-SOUVJXGZSA-N 0 0 392.462 3.785 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@@H](C(=O)c3ccc(F)cc3)C1)CCC2 ZINC000328647862 854488864 /nfs/dbraw/zinc/48/88/64/854488864.db2.gz HTJCCMPZRXWIAT-ZWKOTPCHSA-N 0 0 398.482 3.717 10 30 GHEERN C[C@@H]1CC(CNC(=O)N2CCOC[C@@H]2c2nc3ccccc3s2)C[C@@H](C)O1 ZINC000328722160 854504111 /nfs/dbraw/zinc/50/41/11/854504111.db2.gz RRVWYXIKOJKJPQ-CKEIUWERSA-N 0 0 389.521 3.787 10 30 GHEERN O=C(N[C@H]1CCC(=O)NC12CCC2)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000328708517 854517367 /nfs/dbraw/zinc/51/73/67/854517367.db2.gz QLJPAVAOVFZEJE-SFHVURJKSA-N 0 0 399.491 3.772 10 30 GHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCC(CN2CCc3ccccc32)CC1 ZINC000328738405 854522371 /nfs/dbraw/zinc/52/23/71/854522371.db2.gz KTRQZNHWBRIGGT-HXUWFJFHSA-N 0 0 396.535 3.717 10 30 GHEERN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000328836255 854569460 /nfs/dbraw/zinc/56/94/60/854569460.db2.gz MPUXTJBESHGTNO-LPHOPBHVSA-N 0 0 392.927 3.944 10 30 GHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000330139514 862607803 /nfs/dbraw/zinc/60/78/03/862607803.db2.gz IUQXZSITFJTUJT-WPKBUWHJSA-N 0 0 392.862 3.526 10 30 GHEERN CCCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000045404552 854869771 /nfs/dbraw/zinc/86/97/71/854869771.db2.gz XHVADXFUXGHJFL-IBGZPJMESA-N 0 0 379.485 3.800 10 30 GHEERN CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000192947916 855848123 /nfs/dbraw/zinc/84/81/23/855848123.db2.gz MDIVCSYCCZYCNF-UKRRQHHQSA-N 0 0 381.398 3.664 10 30 GHEERN Cn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000330340395 863022412 /nfs/dbraw/zinc/02/24/12/863022412.db2.gz XWZSUSYAGFOCGY-QRTARXTBSA-N 0 0 386.477 3.749 10 30 GHEERN O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@H]1CCCc2c(O)cccc21 ZINC000329187488 861116199 /nfs/dbraw/zinc/11/61/99/861116199.db2.gz BDTIYIUKTUNACZ-SKDZVZGDSA-N 0 0 383.448 3.949 10 30 GHEERN COC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000159977725 863220551 /nfs/dbraw/zinc/22/05/51/863220551.db2.gz RIUXJSZTIRBTTB-OALUTQOASA-N 0 0 377.444 3.563 10 30 GHEERN CN1Cc2cc(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)ccc2NC1=O ZINC000186575736 866197785 /nfs/dbraw/zinc/19/77/85/866197785.db2.gz BLOUHSOCDQDHDO-UHFFFAOYSA-N 0 0 375.432 3.732 10 30 GHEERN Cc1nc([C@H](NC(=O)c2cccc(SCC#N)c2)c2ccccc2F)no1 ZINC000175948589 882617733 /nfs/dbraw/zinc/61/77/33/882617733.db2.gz RMXUGVTYLLFSNX-QGZVFWFLSA-N 0 0 382.420 3.652 10 30 GHEERN N#CCSc1cccc(C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)c1 ZINC000176416989 882691583 /nfs/dbraw/zinc/69/15/83/882691583.db2.gz ACEGSWHPWMIFKV-KRWDZBQOSA-N 0 0 381.505 3.597 10 30 GHEERN C[C@H](C#N)Oc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000182044263 883201728 /nfs/dbraw/zinc/20/17/28/883201728.db2.gz SDARYCCDRAOISM-OAHLLOKOSA-N 0 0 395.434 3.607 10 30 GHEERN COc1cc(C#N)ccc1OCCCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103375766 884948103 /nfs/dbraw/zinc/94/81/03/884948103.db2.gz VUPTXBWLRKWGIX-CQSZACIVSA-N 0 0 395.415 3.612 10 30 GHEERN COc1ccccc1[C@@H](NC(=O)/C=C/c1ccc(OCC#N)cc1)c1ccccn1 ZINC000129271637 887277584 /nfs/dbraw/zinc/27/75/84/887277584.db2.gz RTTHKQFXXUAGJE-RBZOQEBVSA-N 0 0 399.450 3.912 10 30 GHEERN Cc1ccc(N2CCC(NC(=O)N[C@@H](CCC#N)c3ccccc3)CC2)nc1 ZINC000133198401 887737243 /nfs/dbraw/zinc/73/72/43/887737243.db2.gz VPIQRXKUKKIZPW-FQEVSTJZSA-N 0 0 377.492 3.703 10 30 GHEERN CC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2cccc(Cl)c2)C1=O ZINC000013559353 209233957 /nfs/dbraw/zinc/23/39/57/209233957.db2.gz SOTLBUKMGXVUFG-UHFFFAOYSA-N 0 0 376.861 3.990 10 30 GHEERN C=C[C@H]1CC[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)[C@@H](O)C1 ZINC000006214139 209142052 /nfs/dbraw/zinc/14/20/52/209142052.db2.gz SWZMKGKUWRUWCG-NYVOZVTQSA-N 0 0 385.529 3.902 10 30 GHEERN C=C1C(=O)C[C@H]2C[C@@H]3O[C@]3(C)CC[C@@H]3O[C@]3(C)C[C@@H](OC(C)=O)[C@H]1C2(C)C ZINC000005438148 518656806 /nfs/dbraw/zinc/65/68/06/518656806.db2.gz HNPAHGHFONBTLV-RJULGJHDSA-N 0 0 376.493 3.595 10 30 GHEERN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(F)cc(OC)cc1F ZINC000253495207 522879107 /nfs/dbraw/zinc/87/91/07/522879107.db2.gz JXVYAHOOIYWYFV-IBGZPJMESA-N 0 0 391.414 3.750 10 30 GHEERN COc1ccc(/C=N\c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1O ZINC000005720683 523462459 /nfs/dbraw/zinc/46/24/59/523462459.db2.gz LRXPWFVVKDKZIB-QNGOZBTKSA-N 0 0 388.489 3.716 10 30 GHEERN CNC(=O)c1ccc(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1F ZINC000085392483 570225055 /nfs/dbraw/zinc/22/50/55/570225055.db2.gz VEZULCRYQHRKCB-UHFFFAOYSA-N 0 0 380.301 3.720 10 30 GHEERN Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H]2C(=O)NOC2=O)cc1 ZINC000084462508 581094437 /nfs/dbraw/zinc/09/44/37/581094437.db2.gz QBQLYIISSRXYKL-SFHVURJKSA-N 0 0 392.411 3.859 10 30 in-man GHEERN COc1cc(/C=C/C(=O)Nc2cnn(-c3ccccc3F)c2)ccc1OCC#N ZINC000156694284 834505712 /nfs/dbraw/zinc/50/57/12/834505712.db2.gz QZXMHVSJRYSJTO-VQHVLOKHSA-N 0 0 392.390 3.574 10 30 GHEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CCc3[nH]c4ccccc4c3C1)C2 ZINC000329300285 834795253 /nfs/dbraw/zinc/79/52/53/834795253.db2.gz VILIJMSNAMBEFN-HNNXBMFYSA-N 0 0 391.519 3.949 10 30 GHEERN O=C(CCc1nnc(C2CCCC2)o1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000329897560 835301139 /nfs/dbraw/zinc/30/11/39/835301139.db2.gz DACPIVBQYIXZCT-OAHLLOKOSA-N 0 0 389.477 3.535 10 30 GHEERN CC(=O)Nc1ccc(S[C@H](C)C(=O)N2C[C@H]3CCCCN3C[C@H]2C)cc1 ZINC000329677970 835659976 /nfs/dbraw/zinc/65/99/76/835659976.db2.gz WVTZYQVIPICNOC-IIDMSEBBSA-N 0 0 375.538 3.860 10 30 GHEERN Cc1ccc(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)cc1NS(C)(=O)=O ZINC000329707248 835735603 /nfs/dbraw/zinc/73/56/03/835735603.db2.gz KKXZCEBCLGXSGN-OXJNMPFZSA-N 0 0 386.473 3.695 10 30 GHEERN N#Cc1ccccc1C=CC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000588392268 840370802 /nfs/dbraw/zinc/37/08/02/840370802.db2.gz SHZHNJKIMLKAPN-GHYICZDASA-N 0 0 383.455 3.763 10 30 GHEERN Cc1nn(C)c(C)c1[C@H]1CCCN1[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000106207502 840760338 /nfs/dbraw/zinc/76/03/38/840760338.db2.gz NVMCTWXZGZTUMD-WMLDXEAASA-N 0 0 397.548 3.623 10 30 GHEERN O=C1c2cc(F)cc([N+](=O)[O-])c2OC/C1=C\c1c(C2CC2)nc2sccn12 ZINC000588425653 842039710 /nfs/dbraw/zinc/03/97/10/842039710.db2.gz ISIZUOFYVDSBMS-BJMVGYQFSA-N 0 0 385.376 3.979 10 30 GHEERN O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CSCN1C(=O)C1CCC1 ZINC000328867419 842720193 /nfs/dbraw/zinc/72/01/93/842720193.db2.gz CDTNNRJDIGCSPI-JKSUJKDBSA-N 0 0 393.578 3.543 10 30 GHEERN CC(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(F)c(C)c2)CC12CCCCC2 ZINC000328973989 843274760 /nfs/dbraw/zinc/27/47/60/843274760.db2.gz PNZPPAJRAALPLM-INIZCTEOSA-N 0 0 375.488 3.976 10 30 GHEERN Cc1ccc(NC(=O)N2CC[C@@H]3CCC[C@@H]32)cc1S(=O)(=O)N1CCCCC1 ZINC000330265457 843280719 /nfs/dbraw/zinc/28/07/19/843280719.db2.gz ZHAWTHDMKLFIGY-WMZOPIPTSA-N 0 0 391.537 3.590 10 30 GHEERN C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)C[C@]2(CCCOC2)O1 ZINC000330275463 843417340 /nfs/dbraw/zinc/41/73/40/843417340.db2.gz LNPGABPDIBBJJX-AESZEHBQSA-N 0 0 378.435 3.539 10 30 GHEERN CSc1cc2c(cc1[NH+]=C([O-])N1CCC[C@H](n3cc(C)cn3)C1)OCCO2 ZINC000329477134 861500179 /nfs/dbraw/zinc/50/01/79/861500179.db2.gz PSQSLHGGQYCAOB-AWEZNQCLSA-N 0 0 388.493 3.567 10 30 GHEERN Cc1noc([C@H](NC(=O)N2CCCC[C@H]2Cc2ccccc2)C2CCOCC2)n1 ZINC000329483975 861518290 /nfs/dbraw/zinc/51/82/90/861518290.db2.gz FMAJIIFTTMXKSJ-VQTJNVASSA-N 0 0 398.507 3.857 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)C2)nn1 ZINC000329641831 861891345 /nfs/dbraw/zinc/89/13/45/861891345.db2.gz ZXQZCXMAEBVRSN-ZFWWWQNUSA-N 0 0 397.504 3.841 10 30 GHEERN Cc1c([C@@H]2[C@H](C(=O)N[C@@H]3CCC[C@@H]3c3ccccc3)CC(=O)N2C)cnn1C ZINC000329872784 850181588 /nfs/dbraw/zinc/18/15/88/850181588.db2.gz BQQJOEMCDOPNRA-ZJSJBZJDSA-N 0 0 380.492 3.541 10 30 GHEERN CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)no1 ZINC000329698991 862102905 /nfs/dbraw/zinc/10/29/05/862102905.db2.gz FXOIXJTYBVUQLP-VNHYZAJKSA-N 0 0 377.489 3.778 10 30 GHEERN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C[C@H]2CCCCNC2=O)c(C)c1 ZINC000329810140 862336109 /nfs/dbraw/zinc/33/61/09/862336109.db2.gz BJGPNVUJRKSNDS-NVXWUHKLSA-N 0 0 389.521 3.940 10 30 GHEERN Cc1noc([C@@H]2CCCN(C(=O)N[C@H]3CCCO[C@H]3c3ccc(C)cc3)C2)n1 ZINC000329889469 862399945 /nfs/dbraw/zinc/39/99/45/862399945.db2.gz DPFACUNEZMWYKW-QYZOEREBSA-N 0 0 384.480 3.700 10 30 GHEERN COCCn1cc2c(n1)[C@H](NC(=O)N[C@H]1CCCc3ccc(F)cc31)CCC2 ZINC000329999527 862492794 /nfs/dbraw/zinc/49/27/94/862492794.db2.gz UWHPSUZYNQGKOL-RBUKOAKNSA-N 0 0 386.471 3.627 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@H](c1ccccc1)N1CCSCC1)CCC2 ZINC000328642370 854487057 /nfs/dbraw/zinc/48/70/57/854487057.db2.gz DTKKBDUSRZNKSK-OALUTQOASA-N 0 0 384.549 3.816 10 30 GHEERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)NCc1cccc(N2CCOCC2)n1 ZINC000330096817 862570959 /nfs/dbraw/zinc/57/09/59/862570959.db2.gz YBJOVDFCWGVUBM-NRFANRHFSA-N 0 0 394.519 3.636 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CCCN(C(=O)Nc3ccccc3)C1)CCC2 ZINC000328814925 854546628 /nfs/dbraw/zinc/54/66/28/854546628.db2.gz NNSRHDQBVRMPCP-ROUUACIJSA-N 0 0 395.507 3.983 10 30 GHEERN CCc1ccccc1N1C[C@H](C(=O)NC[C@@H]2CCCn3cc(C)nc32)CC1=O ZINC000328832955 854566837 /nfs/dbraw/zinc/56/68/37/854566837.db2.gz RSJYQWNBCWIJLB-ZWKOTPCHSA-N 0 0 380.492 3.641 10 30 GHEERN CC(C)c1nnc2n1CCN(C(=O)c1ccc(CNC(=O)C3CCCC3)cc1)C2 ZINC000328939965 854610214 /nfs/dbraw/zinc/61/02/14/854610214.db2.gz KPNLFBMJIJIZLV-UHFFFAOYSA-N 0 0 395.507 3.704 10 30 GHEERN Cc1ccc(NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c(OCc2ccccc2)c1 ZINC000328916038 854620492 /nfs/dbraw/zinc/62/04/92/854620492.db2.gz AEOPSXZUTMGMIF-LEWJYISDSA-N 0 0 395.503 3.524 10 30 GHEERN Cn1cc([C@H]2[C@H](CNC(=O)[C@H]3CCC(F)(F)C3)CC(=O)N2C(C)(C)C)cn1 ZINC000330131322 862601030 /nfs/dbraw/zinc/60/10/30/862601030.db2.gz FPCDOFFDDLCCEE-HEHGZKQESA-N 0 0 382.455 3.500 10 30 GHEERN O=C(N[C@H]1CCCCNC1=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1 ZINC000330171269 862632193 /nfs/dbraw/zinc/63/21/93/862632193.db2.gz FGFLAFLSDLCXLX-BQFCYCMXSA-N 0 0 386.427 3.555 10 30 GHEERN CC(C)c1noc([C@@H](NC(=O)c2scnc2C2CC2)C2CCOCC2)n1 ZINC000330276788 862714533 /nfs/dbraw/zinc/71/45/33/862714533.db2.gz NKFDCMWCGAIQNW-AWEZNQCLSA-N 0 0 376.482 3.999 10 30 GHEERN N#Cc1cccnc1N1CCN(Cc2ncc(-c3ccccc3Cl)o2)CC1 ZINC000173463087 856946170 /nfs/dbraw/zinc/94/61/70/856946170.db2.gz MJJFVYMPQVLTCJ-UHFFFAOYSA-N 0 0 379.851 3.584 10 30 GHEERN C[C@H](N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)c1ccc(C#N)s1 ZINC000245923017 857201806 /nfs/dbraw/zinc/20/18/06/857201806.db2.gz YBYXELHNMWLCND-BOFPYLFWSA-N 0 0 375.925 3.996 10 30 GHEERN COc1ccc(NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)cc1Br ZINC000329002546 860941573 /nfs/dbraw/zinc/94/15/73/860941573.db2.gz HEKHRPVVCNRYLQ-MLGOLLRUSA-N 0 0 394.269 3.947 10 30 GHEERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000329048808 860976413 /nfs/dbraw/zinc/97/64/13/860976413.db2.gz VVUAONQIYWKETJ-FVQBIDKESA-N 0 0 390.281 3.904 10 30 GHEERN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000159977844 863218397 /nfs/dbraw/zinc/21/83/97/863218397.db2.gz RIUXJSZTIRBTTB-RTBURBONSA-N 0 0 377.444 3.563 10 30 GHEERN N#CCOc1ccc(/C=C/C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000136453307 888295430 /nfs/dbraw/zinc/29/54/30/888295430.db2.gz GZQMNRPBROXZIA-WZHTZEMWSA-N 0 0 394.446 3.713 10 30 GHEERN C=CCN(C)C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)Cc3sc(C)nc3[C@@H](C)[C@@H]2[C@H]1O ZINC000003840600 209138018 /nfs/dbraw/zinc/13/80/18/209138018.db2.gz GICYRZPFXPNTIT-KXFZRJCVSA-N 0 0 376.566 3.785 10 30 biogenic GHEERN CC[C@H](COC(F)(F)F)NC(=O)c1cncc(C(F)(F)C(F)(F)F)c1 ZINC000097950215 522230911 /nfs/dbraw/zinc/23/09/11/522230911.db2.gz LPLXOQKLZKRGEV-SECBINFHSA-N 0 0 380.235 3.781 10 30 GHEERN COc1cccc(/C=N\c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1O ZINC000100226388 525777187 /nfs/dbraw/zinc/77/71/87/525777187.db2.gz JIDLGIZOCIHMDK-QNGOZBTKSA-N 0 0 388.489 3.716 10 30 GHEERN N#Cc1ccccc1NC(=S)NC(=O)C=Cc1ccc(Br)cc1 ZINC000005799669 570690703 /nfs/dbraw/zinc/69/07/03/570690703.db2.gz SHRPUIFXJILWJB-JXMROGBWSA-N 0 0 386.274 3.847 10 30 GHEERN CCCOC(=NC(=O)c1ccccc1F)NCCc1ccc(OC)c(OC)c1 ZINC000004528245 570843504 /nfs/dbraw/zinc/84/35/04/570843504.db2.gz FTMLFXUFIFJOFJ-UHFFFAOYSA-N 0 0 388.439 3.598 10 30 GHEERN C[C@@H](CC(=O)NC1CCC(C(=O)N2CCSCC2)CC1)c1cccnc1 ZINC000329292993 834769300 /nfs/dbraw/zinc/76/93/00/834769300.db2.gz JDMUTKYRNCVIFG-HJOIGYKYSA-N 0 0 375.538 3.666 10 30 GHEERN O=C(Nc1ccccc1N1CCC(O)CC1)[C@H]1C[C@]12CCOc1ccccc12 ZINC000329569192 835259681 /nfs/dbraw/zinc/25/96/81/835259681.db2.gz LVIUFWRDGDTPBC-JPYJTQIMSA-N 0 0 378.472 3.976 10 30 GHEERN Cc1ccc(N2CCC[C@@H](NC(=O)Nc3nc4c(s3)CCCCC4)C2)nn1 ZINC000329629271 835472170 /nfs/dbraw/zinc/47/21/70/835472170.db2.gz VZEREVLJLAHTOK-CQSZACIVSA-N 0 0 386.525 3.505 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H](c3ccccc3)C3CCC3)C2)nn1 ZINC000329678068 835660866 /nfs/dbraw/zinc/66/08/66/835660866.db2.gz QEGBINIFKYKLLS-FPOVZHCZSA-N 0 0 379.508 3.799 10 30 GHEERN Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329921291 836060791 /nfs/dbraw/zinc/06/07/91/836060791.db2.gz FNSJJFQSPXALCZ-YZVAWVHESA-N 0 0 399.466 3.592 10 30 GHEERN Cn1cc([C@@H]2[C@H](C(=O)N[C@H]3CCOc4ccccc43)CC(=O)N2C(C)(C)C)cn1 ZINC000330050867 838806080 /nfs/dbraw/zinc/80/60/80/838806080.db2.gz MMCKCTBLNJDGCR-FUHIMQAGSA-N 0 0 396.491 3.589 10 30 GHEERN Cn1cc([C@@H]2CSCCN2C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)cn1 ZINC000330052245 838831411 /nfs/dbraw/zinc/83/14/11/838831411.db2.gz OTYRLRPPGJFDSW-CFVMTHIKSA-N 0 0 390.475 3.793 10 30 GHEERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000330247516 841032961 /nfs/dbraw/zinc/03/29/61/841032961.db2.gz YXUPBJCUEJRNAM-ZNMIVQPWSA-N 0 0 378.435 3.587 10 30 GHEERN C[C@@H]1CN(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)C[C@@H](c2ccccc2)O1 ZINC000329257186 861210445 /nfs/dbraw/zinc/21/04/45/861210445.db2.gz DWSKFINURXCBCD-QRQLOZEOSA-N 0 0 396.535 3.871 10 30 GHEERN C[C@@H]1C[C@H](C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)CC(C)(C)C1 ZINC000329265427 861219943 /nfs/dbraw/zinc/21/99/43/861219943.db2.gz CHZMLPYWMKZGSA-ZACQAIPSSA-N 0 0 384.528 3.760 10 30 GHEERN Cc1nc([C@@H]2CN(C(=O)N[C@H]3CC4(CCCC4)Oc4ccccc43)CCO2)no1 ZINC000329269620 861221349 /nfs/dbraw/zinc/22/13/49/861221349.db2.gz FEWOQEJINXPLNU-WMZOPIPTSA-N 0 0 398.463 3.502 10 30 GHEERN COc1cc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc2c1OCCO2 ZINC000588421464 841893565 /nfs/dbraw/zinc/89/35/65/841893565.db2.gz DYSBGRDEYDYZEM-DJWKRKHSSA-N 0 0 375.764 3.924 10 30 GHEERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@H]1CCCOc3ccc(F)cc31)C2 ZINC000329301733 861264020 /nfs/dbraw/zinc/26/40/20/861264020.db2.gz WKJPNEWLCFEAQT-INIZCTEOSA-N 0 0 386.471 3.869 10 30 GHEERN O=C(Nc1nnc2n1CCCC2)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000328833901 842396354 /nfs/dbraw/zinc/39/63/54/842396354.db2.gz RXUSPGAPLXKOBL-RDTXWAMCSA-N 0 0 387.281 3.869 10 30 GHEERN O=C(NCc1ccnc(OC2CCCC2)c1)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000328912466 842877254 /nfs/dbraw/zinc/87/72/54/842877254.db2.gz OZDYFSIEVGTONW-KRWDZBQOSA-N 0 0 389.521 3.561 10 30 GHEERN CC(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)CC12CCCCC2 ZINC000328950962 843102183 /nfs/dbraw/zinc/10/21/83/843102183.db2.gz HQBOPTVZSYAMGK-INIZCTEOSA-N 0 0 375.488 3.976 10 30 GHEERN Cc1cc(F)c(NC(=O)N[C@H]2CCC[C@H]2C#N)c(I)c1 ZINC000408237043 843502899 /nfs/dbraw/zinc/50/28/99/843502899.db2.gz RSPZNYAUQTXUIT-CABZTGNLSA-N 0 0 387.196 3.553 10 30 GHEERN CN(C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C1CCC(C)(C)CC1 ZINC000329487680 861521096 /nfs/dbraw/zinc/52/10/96/861521096.db2.gz GTDSKIXTPBEOAG-QFBILLFUSA-N 0 0 375.561 3.618 10 30 GHEERN CCN1C(=O)CC[C@H](C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)[C@@H]1c1cnn(C)c1 ZINC000329522580 861588061 /nfs/dbraw/zinc/58/80/61/861588061.db2.gz REXNFCLQYPNNFB-WBKMXMRLSA-N 0 0 386.540 3.893 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N3CCCCC[C@H]3c3ccncc3)C2)nn1 ZINC000329561996 861669819 /nfs/dbraw/zinc/66/98/19/861669819.db2.gz GIZPSLIRFBKGOH-PMACEKPBSA-N 0 0 394.523 3.680 10 30 GHEERN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)C[C@@H]1OCCN(C)[C@H]1c1ccccc1 ZINC000329050291 847056101 /nfs/dbraw/zinc/05/61/01/847056101.db2.gz RBEDZCCAKMAJNI-JBACZVJFSA-N 0 0 398.551 3.562 10 30 GHEERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NCc1c2c(nn1C)CCCC2 ZINC000329698481 862102116 /nfs/dbraw/zinc/10/21/16/862102116.db2.gz CQIKJHFACLDSHA-OXQOHEQNSA-N 0 0 385.512 3.701 10 30 GHEERN Cc1csc([C@@H]2CCCN(C(=O)[C@H](NC(=O)c3ccccn3)C(C)C)C2)n1 ZINC000329785140 862320581 /nfs/dbraw/zinc/32/05/81/862320581.db2.gz WTBIHUKTBYJVCH-NVXWUHKLSA-N 0 0 386.521 3.582 10 30 GHEERN C[C@@H]1CC(CNC(=O)N2CC=C(c3ccc4c(c3)OCCO4)CC2)C[C@@H](C)O1 ZINC000329810832 862337417 /nfs/dbraw/zinc/33/74/17/862337417.db2.gz QZEIACKKRXKFKT-HZPDHXFCSA-N 0 0 386.492 3.665 10 30 GHEERN Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)cc1 ZINC000329949072 862448560 /nfs/dbraw/zinc/44/85/60/862448560.db2.gz LHAKYSPZACIUMV-DYXWJJEUSA-N 0 0 382.508 3.822 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCO[C@H](c3ccccc3Cl)C1)CCC2 ZINC000328660093 854493006 /nfs/dbraw/zinc/49/30/06/854493006.db2.gz UUQWJBRFXVQDJC-YJBOKZPZSA-N 0 0 388.899 3.710 10 30 GHEERN COc1ccc([C@H]2CCCN2C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000328598477 854500152 /nfs/dbraw/zinc/50/01/52/854500152.db2.gz BFGSIDBLZNDOAM-WSTZPKSXSA-N 0 0 385.508 3.537 10 30 GHEERN C[C@@H]1C[C@@H](CNC(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccc(F)cc2)CCO1 ZINC000328727265 854538126 /nfs/dbraw/zinc/53/81/26/854538126.db2.gz VAKFKKBCUWJBKJ-QIJLZVCCSA-N 0 0 387.455 3.861 10 30 GHEERN O=C(N[C@@H]1CCc2c[nH]nc2C1)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000328824563 854552021 /nfs/dbraw/zinc/55/20/21/854552021.db2.gz PRYOWICGLCDOCR-SIXWZSSISA-N 0 0 386.293 3.890 10 30 GHEERN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1 ZINC000328923000 854622929 /nfs/dbraw/zinc/62/29/29/854622929.db2.gz CTBJDCAUUQLKIB-HDAAZOAOSA-N 0 0 385.508 3.960 10 30 GHEERN Cc1noc([C@H](NC(=O)N[C@@H]2CC[C@H](C)c3ccccc32)C2CCOCC2)n1 ZINC000328968793 854636588 /nfs/dbraw/zinc/63/65/88/854636588.db2.gz ANKJYXJNGVFLQY-MJXNMMHHSA-N 0 0 384.480 3.988 10 30 GHEERN Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC(=O)N1C ZINC000330125678 862595938 /nfs/dbraw/zinc/59/59/38/862595938.db2.gz IMAKPUBSGQIHIM-JDNULILRSA-N 0 0 386.540 3.872 10 30 GHEERN Cc1nc(C)c(-c2csc(NC(=O)[C@@H]3CCO[C@H]3c3ccnn3C)n2)s1 ZINC000330135128 862603804 /nfs/dbraw/zinc/60/38/04/862603804.db2.gz MQMJAHXFJANXJZ-BXUZGUMPSA-N 0 0 389.506 3.983 10 30 GHEERN Cc1cccc(NC(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)c1F ZINC000330317640 862869010 /nfs/dbraw/zinc/86/90/10/862869010.db2.gz BVEFDRAFHUFIAZ-INIZCTEOSA-N 0 0 384.455 3.828 10 30 GHEERN Cc1ccc(NC(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)c(F)c1 ZINC000330352049 863057776 /nfs/dbraw/zinc/05/77/76/863057776.db2.gz MZMKDFQXAJEANZ-INIZCTEOSA-N 0 0 384.455 3.828 10 30 GHEERN COc1ccccc1[C@H]1CCC[C@@H](C)[N@@H+]1CC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000329033329 860963525 /nfs/dbraw/zinc/96/35/25/860963525.db2.gz BQOAIWWGZAGWCO-IMFGXOCKSA-N 0 0 387.524 3.578 10 30 GHEERN C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329057124 860981466 /nfs/dbraw/zinc/98/14/66/860981466.db2.gz SWLDYLXIHJEYOZ-HIFRSBDPSA-N 0 0 398.463 3.574 10 30 GHEERN Cn1nccc1[C@H]1[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC(=O)N1C1CC1 ZINC000329058748 860981830 /nfs/dbraw/zinc/98/18/30/860981830.db2.gz YMJDPACVEMJHOY-BRHAQHMBSA-N 0 0 384.524 3.788 10 30 GHEERN CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)Nc2ccc3c(c2F)CCNC3=O)C1 ZINC000329077168 860997331 /nfs/dbraw/zinc/99/73/31/860997331.db2.gz CKVJIUCTLJRQHA-LBPRGKRZSA-N 0 0 390.459 3.699 10 30 GHEERN C[C@H](NC(=O)C[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1)c1ccccc1 ZINC000329096079 861013259 /nfs/dbraw/zinc/01/32/59/861013259.db2.gz BNVZTVQFGKVUHC-ICSRJNTNSA-N 0 0 383.536 3.819 10 30 GHEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N[C@H]1CCCOc3ccccc31)C2 ZINC000329189848 861117178 /nfs/dbraw/zinc/11/71/78/861117178.db2.gz CEZMKBKVXJUDOC-RDJZCZTQSA-N 0 0 382.508 3.913 10 30 GHEERN C#Cc1cccc(N(CC)C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000171194113 882087546 /nfs/dbraw/zinc/08/75/46/882087546.db2.gz BTPWXNNONJCVHG-UHFFFAOYSA-N 0 0 378.447 3.712 10 30 GHEERN CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2cccc(OCC(F)(F)F)c2)cc1 ZINC000102200472 872747946 /nfs/dbraw/zinc/74/79/46/872747946.db2.gz QFZZISSTLCHFBI-BJMVGYQFSA-N 0 0 399.390 3.895 10 30 GHEERN C#Cc1cccc(N(C(=O)C[C@@H](NC(C)=O)c2ccc(OC)cc2)C(C)C)c1 ZINC000102909071 873811419 /nfs/dbraw/zinc/81/14/19/873811419.db2.gz NWACAKHHOQFXRA-JOCHJYFZSA-N 0 0 378.472 3.685 10 30 GHEERN CN(Cc1cccc(C#N)c1)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000102567447 883581283 /nfs/dbraw/zinc/58/12/83/883581283.db2.gz NSIXBWMYHYMBHP-UHFFFAOYSA-N 0 0 378.407 3.736 10 30 GHEERN N#CCSc1ccccc1NC(=O)CN1CC2(CCOCC2)c2ccccc21 ZINC000192282467 884247083 /nfs/dbraw/zinc/24/70/83/884247083.db2.gz BFDNZOOALNHVFS-UHFFFAOYSA-N 0 0 393.512 3.809 10 30 GHEERN N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000061889718 888651971 /nfs/dbraw/zinc/65/19/71/888651971.db2.gz YPYBHFIMIGGQSM-CPCISQLKSA-N 0 0 398.109 3.726 10 30 GHEERN N#C[C@@]1(c2nc(-c3cn4ccc(Br)cc4n3)no2)CC12CCCC2 ZINC000333853761 902372896 /nfs/dbraw/zinc/37/28/96/902372896.db2.gz QALXSJNFIIROGN-QGZVFWFLSA-N 0 0 384.237 3.872 10 30 GHEERN CN(C)c1ccc(C#Cc2ncnc(N)c2-c2ccc(Br)cc2)cc1 ZINC000028646502 209180571 /nfs/dbraw/zinc/18/05/71/209180571.db2.gz UYXRWWVVCKPVOR-UHFFFAOYSA-N 0 0 393.288 3.954 10 30 GHEERN CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095088111 211220109 /nfs/dbraw/zinc/22/01/09/211220109.db2.gz BOJUXVAECVEJDS-IBGZPJMESA-N 0 0 385.508 3.942 10 30 GHEERN CCOc1ccc2nc(SCC(=N)NOC(=O)c3ccccc3)sc2c1 ZINC000006949816 521307711 /nfs/dbraw/zinc/30/77/11/521307711.db2.gz OHDYOLSTHAHCRU-UHFFFAOYSA-N 0 0 387.486 3.916 10 30 GHEERN COc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cc(C)ccc2C)c1 ZINC000046130165 570211341 /nfs/dbraw/zinc/21/13/41/570211341.db2.gz GOYZVZXTSYPBIV-LJQANCHMSA-N 0 0 381.476 3.689 10 30 GHEERN O=C(N[C@H]1CCN(c2ccccc2)C1)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000329163494 834484341 /nfs/dbraw/zinc/48/43/41/834484341.db2.gz GGFVFVUHDZWFBT-YCRPNKLZSA-N 0 0 379.485 3.851 10 30 GHEERN Cn1c(=O)sc2cc(/C=C\C(=O)c3cc4c(s3)SCC(=O)N4)ccc21 ZINC000588599047 834540992 /nfs/dbraw/zinc/54/09/92/834540992.db2.gz NPKSIQHAPGNWLT-HYXAFXHYSA-N 0 0 388.495 3.602 10 30 GHEERN C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)Cc1ccc(C#N)cc1 ZINC000178907298 834561895 /nfs/dbraw/zinc/56/18/95/834561895.db2.gz FSOJIWARIOHAFW-XOBRGWDASA-N 0 0 399.288 3.852 10 30 GHEERN CCC1CCC(NC(=O)N2CCOC[C@H]2c2nnc(-c3ccccc3)o2)CC1 ZINC000329233280 834585956 /nfs/dbraw/zinc/58/59/56/834585956.db2.gz GTVHCDAOQOYXOM-VJFUWPCTSA-N 0 0 384.480 3.993 10 30 GHEERN O=C1/C(=C\c2cocn2)CN(Cc2ccc(Cl)cc2)C/C1=C/c1cocn1 ZINC000588578665 834631891 /nfs/dbraw/zinc/63/18/91/834631891.db2.gz FIBAPQOYKVTGGJ-KNBRTIFXSA-N 0 0 381.819 3.868 10 30 GHEERN O=C(NC1CCC(c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)CC1)C1CCCC1 ZINC000329500695 835145339 /nfs/dbraw/zinc/14/53/39/835145339.db2.gz ABYFSOYXCNZZSM-HIEASXQVSA-N 0 0 388.512 3.778 10 30 GHEERN COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)[C@@H]1CCCCC(=O)N1 ZINC000329873588 835182968 /nfs/dbraw/zinc/18/29/68/835182968.db2.gz DXXBHKOMVAATSW-INIZCTEOSA-N 0 0 375.469 3.798 10 30 GHEERN O=C(NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@@H]1CCc2ccccc21 ZINC000329585193 835295332 /nfs/dbraw/zinc/29/53/32/835295332.db2.gz WJQMYTFAHVAEHB-OAQYLSRUSA-N 0 0 398.528 3.667 10 30 GHEERN CC[C@@H]1c2ccsc2CCN1C(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1 ZINC000329673426 835587198 /nfs/dbraw/zinc/58/71/98/835587198.db2.gz OATDLGFRFJCQJL-DOTOQJQBSA-N 0 0 385.537 3.739 10 30 GHEERN Cc1ccc(N2CCC(NC(=O)CCCCOc3cccc(C#N)c3)CC2)nc1 ZINC000157745368 835823021 /nfs/dbraw/zinc/82/30/21/835823021.db2.gz OQHLUZPNEFQLJP-UHFFFAOYSA-N 0 0 392.503 3.596 10 30 GHEERN C[C@@H]1CN(Cc2csc(NC(=O)C[C@H]3CCCCC(=O)N3)n2)C[C@@H](C)O1 ZINC000329264648 861219402 /nfs/dbraw/zinc/21/94/02/861219402.db2.gz GTXZUPUDTBRRPW-MGPQQGTHSA-N 0 0 380.514 3.630 10 30 GHEERN CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000330341621 841982197 /nfs/dbraw/zinc/98/21/97/841982197.db2.gz ZMPZWNZLRNVIHG-WUCCLRPBSA-N 0 0 388.434 3.748 10 30 GHEERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000588447658 843122208 /nfs/dbraw/zinc/12/22/08/843122208.db2.gz LDWDNOIGOXETCW-XSLBHYSZSA-N 0 0 383.791 3.999 10 30 GHEERN COCCn1cc2c(n1)[C@H](NC(=O)N[C@@H]1CCSc3ccccc31)CCC2 ZINC000329527749 861590870 /nfs/dbraw/zinc/59/08/70/861590870.db2.gz SFJWUKIQQGBCLW-IAGOWNOFSA-N 0 0 386.521 3.648 10 30 GHEERN CC(=O)N1C[C@H](CCC(=O)NC[C@@H]2CCCn3cc(C)nc32)c2ccccc21 ZINC000329594966 861730545 /nfs/dbraw/zinc/73/05/45/861730545.db2.gz BQVVRIFHVMXNJA-ROUUACIJSA-N 0 0 380.492 3.956 10 30 GHEERN O=C(N[C@@H]1CCOc2ccccc21)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000329125122 849276413 /nfs/dbraw/zinc/27/64/13/849276413.db2.gz SSQZJARGMBDNRP-LJQANCHMSA-N 0 0 392.455 3.985 10 30 GHEERN Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)cn1 ZINC000329889082 862399865 /nfs/dbraw/zinc/39/98/65/862399865.db2.gz ZRSJZLDDODSPGG-QIIPPGSGSA-N 0 0 392.862 3.526 10 30 GHEERN O=C(Nc1ccc(F)c(F)c1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000330081739 862559632 /nfs/dbraw/zinc/55/96/32/862559632.db2.gz GWKLJTOEAWTDMH-OAHLLOKOSA-N 0 0 388.418 3.659 10 30 GHEERN Cc1csc([C@@H]2CN(C(=O)N[C@H]3CCCc4cc(F)ccc43)CCO2)n1 ZINC000328678553 854506206 /nfs/dbraw/zinc/50/62/06/854506206.db2.gz BFDOTSXUPUHBOP-IRXDYDNUSA-N 0 0 375.469 3.956 10 30 GHEERN Cc1ccc(NC(=O)N2CCC[C@@H](n3cccn3)C2)c(OC[C@@H]2CCCO2)c1 ZINC000328769936 854534817 /nfs/dbraw/zinc/53/48/17/854534817.db2.gz QXGPMDPTXGTNEH-MSOLQXFVSA-N 0 0 384.480 3.632 10 30 GHEERN CC(C)c1nc([C@@H]2CCCN(CC(=O)Nc3nc4c(s3)CCCC4)C2)no1 ZINC000328830417 854564850 /nfs/dbraw/zinc/56/48/50/854564850.db2.gz JXMJFYFWKDURTD-CYBMUJFWSA-N 0 0 389.525 3.996 10 30 GHEERN CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c2ccccc21 ZINC000328842773 854572318 /nfs/dbraw/zinc/57/23/18/854572318.db2.gz VXXNDFUISRROAA-WMZOPIPTSA-N 0 0 397.500 3.807 10 30 GHEERN Cn1c2c(nc1[C@H]1CCCN1CC(=O)Nc1nc3c(s1)CCC3)CCCC2 ZINC000328925436 854625106 /nfs/dbraw/zinc/62/51/06/854625106.db2.gz DWFBRKVWHZDZCN-MRXNPFEDSA-N 0 0 385.537 3.669 10 30 GHEERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H](C)c2oc3ccccc3c2C)C1 ZINC000330170586 862632157 /nfs/dbraw/zinc/63/21/57/862632157.db2.gz DUSPYSYUTMOCEL-DUVNUKRYSA-N 0 0 384.436 3.870 10 30 GHEERN N#Cc1c2c(sc1NC(=O)C1CCN(C(=O)c3cccs3)CC1)CCC2 ZINC000060915449 856390961 /nfs/dbraw/zinc/39/09/61/856390961.db2.gz PKUIFQAWGRTNLN-UHFFFAOYSA-N 0 0 385.514 3.661 10 30 GHEERN CCc1nc(NC(=O)NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)sc1C ZINC000330344531 863027206 /nfs/dbraw/zinc/02/72/06/863027206.db2.gz DATXASUOLICPEA-SNVBAGLBSA-N 0 0 387.431 3.818 10 30 GHEERN C[C@@H]1CCCN(c2cc(N3CCC(Oc4ccc(C#N)cc4)CC3)ncn2)C1 ZINC000329228615 860316195 /nfs/dbraw/zinc/31/61/95/860316195.db2.gz IUGUQASGTIQPPP-QGZVFWFLSA-N 0 0 377.492 3.632 10 30 GHEERN C[C@H]1CCCN(c2cc(N3CCC(Oc4ccc(C#N)cc4)CC3)ncn2)C1 ZINC000329228606 860316246 /nfs/dbraw/zinc/31/62/46/860316246.db2.gz IUGUQASGTIQPPP-KRWDZBQOSA-N 0 0 377.492 3.632 10 30 GHEERN Cc1ccc(OCc2ccccc2)c(NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c1 ZINC000329136881 861056237 /nfs/dbraw/zinc/05/62/37/861056237.db2.gz RFMOWCBYJLUNOL-IRLDBZIGSA-N 0 0 395.503 3.524 10 30 GHEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1 ZINC000103293335 863941894 /nfs/dbraw/zinc/94/18/94/863941894.db2.gz RPZJEYBHRNGZCH-UHFFFAOYSA-N 0 0 392.419 3.908 10 30 GHEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cn(-c2ccccc2)nc1C ZINC000102244993 882007654 /nfs/dbraw/zinc/00/76/54/882007654.db2.gz KBFIJKZNXUEDHJ-UHFFFAOYSA-N 0 0 376.416 3.917 10 30 GHEERN C[C@@](C#N)(CCc1ccccc1)NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000171835831 882164379 /nfs/dbraw/zinc/16/43/79/882164379.db2.gz XQFAIURMTSSJFF-QFIPXVFZSA-N 0 0 395.528 3.632 10 30 GHEERN N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000249508555 872714890 /nfs/dbraw/zinc/71/48/90/872714890.db2.gz LDWICJVWENIPIH-SJORKVTESA-N 0 0 394.441 3.901 10 30 GHEERN CN(C(=O)C1CCN(C(=O)c2cccs2)CC1)c1cc(Cl)ccc1C#N ZINC000177749602 882823507 /nfs/dbraw/zinc/82/35/07/882823507.db2.gz IXJAJJTYQNDUII-UHFFFAOYSA-N 0 0 387.892 3.788 10 30 GHEERN COc1ccc([C@H](N[C@@H](C)c2ccc(OCC#N)cc2)c2nccn2C)cc1 ZINC000181451888 883180684 /nfs/dbraw/zinc/18/06/84/883180684.db2.gz GJGSXAWUGNUBEV-KKSFZXQISA-N 0 0 376.460 3.771 10 30 GHEERN C=CCOc1ccc(COC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000183570841 883271843 /nfs/dbraw/zinc/27/18/43/883271843.db2.gz IZXGCLXLOLOUST-UHFFFAOYSA-N 0 0 385.485 3.909 10 30 GHEERN C=CCN(Cc1nc(-c2ccc3c(c2)OCO3)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000102655740 884099891 /nfs/dbraw/zinc/09/98/91/884099891.db2.gz AVCRHRHETORABF-UHFFFAOYSA-N 0 0 394.387 3.562 10 30 GHEERN N#CCOc1ccc(/C=C/C(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000115409997 886343432 /nfs/dbraw/zinc/34/34/32/886343432.db2.gz MNECYASOSOBIOI-RMKNXTFCSA-N 0 0 394.818 3.622 10 30 GHEERN CC(=CN=Nc1nc(N2CCCC2)nc(N2CCCC2)n1)Cc1ccccc1 ZINC000006191748 220924260 /nfs/dbraw/zinc/92/42/60/220924260.db2.gz YTYTYMVDWFAKHV-TWNGPSNKSA-N 0 0 377.496 3.573 10 30 GHEERN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)cc1 ZINC000103228973 523369818 /nfs/dbraw/zinc/36/98/18/523369818.db2.gz IBOLRUMRWXPPKV-LYHOESIGSA-N 0 0 395.436 3.972 10 30 GHEERN C=CCn1c(SCc2ccccc2C(=O)NC2CC2)nnc1-c1cccnc1 ZINC000096289627 527342460 /nfs/dbraw/zinc/34/24/60/527342460.db2.gz PWXDAARPMOEMKW-UHFFFAOYSA-N 0 0 391.500 3.711 10 30 GHEERN COc1ccc(-n2c3c(cc(C#N)c2=O)C(=O)C[C@H](c2ccco2)C3)cc1Cl ZINC000032985484 570573498 /nfs/dbraw/zinc/57/34/98/570573498.db2.gz CXJWSRSOBJXLRH-GFCCVEGCSA-N 0 0 394.814 3.877 10 30 GHEERN CCC1CCC(NC(=O)N2CCOC[C@@H]2c2nnc(-c3ccccc3)o2)CC1 ZINC000329233281 834586183 /nfs/dbraw/zinc/58/61/83/834586183.db2.gz GTVHCDAOQOYXOM-VMWRSERWSA-N 0 0 384.480 3.993 10 30 GHEERN O=C(Nc1ccc(F)cc1OC1CCOCC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000329427272 835022521 /nfs/dbraw/zinc/02/25/21/835022521.db2.gz JDGMFOFPAMIYOF-BTYIYWSLSA-N 0 0 392.471 3.556 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@@H]3c3ccccc3C)C2)nn1 ZINC000329549792 835224664 /nfs/dbraw/zinc/22/46/64/835224664.db2.gz CNHIBHAAFRKEIB-AZUAARDMSA-N 0 0 379.508 3.813 10 30 GHEERN Cc1cc([C@H](C)NC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)ccc1F ZINC000329638528 835495686 /nfs/dbraw/zinc/49/56/86/835495686.db2.gz ASUJJBFVRQTPLB-HNNXBMFYSA-N 0 0 382.501 3.542 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H](C)C(C)(C)c3ccccc3)C2)nn1 ZINC000329668694 835580619 /nfs/dbraw/zinc/58/06/19/835580619.db2.gz LZOBRGFTQHJPFN-HKUYNNGSSA-N 0 0 381.524 3.624 10 30 GHEERN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000134644051 835881228 /nfs/dbraw/zinc/88/12/28/835881228.db2.gz ATBBEGHRWHLFEQ-QGZVFWFLSA-N 0 0 399.882 3.634 10 30 GHEERN O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000328608088 836502812 /nfs/dbraw/zinc/50/28/12/836502812.db2.gz LTZCHWUSFHKMDF-ITQYTPKQSA-N 0 0 393.325 3.846 10 30 GHEERN C[C@@H]1CN(Cc2csc(NC(=O)N3CC[C@@H](C)C[C@H](C)C3)n2)C[C@H](C)O1 ZINC000328655512 836549300 /nfs/dbraw/zinc/54/93/00/836549300.db2.gz MYDBOBSVSGURFK-QXSJWSMHSA-N 0 0 380.558 3.666 10 30 GHEERN N#CC1(NC(=O)c2cc(I)ccc2Cl)CCCCC1 ZINC000408001118 838508987 /nfs/dbraw/zinc/50/89/87/838508987.db2.gz AIPSZVLDDCWCAN-UHFFFAOYSA-N 0 0 388.636 3.901 10 30 GHEERN Cc1nc(C[C@@H]2CCCN(c3cc(C)c(C#N)c4nc5ccccc5n43)C2)no1 ZINC000301165754 841138294 /nfs/dbraw/zinc/13/82/94/841138294.db2.gz CSAJEJYARITRBH-INIZCTEOSA-N 0 0 386.459 3.818 10 30 GHEERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)N1CC[C@H](C2CCOCC2)C1 ZINC000329347814 861311569 /nfs/dbraw/zinc/31/15/69/861311569.db2.gz CNEGODSGXZAAAC-QXAKKESOSA-N 0 0 378.900 3.833 10 30 GHEERN C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)C[C@@]2(CCCOC2)O1 ZINC000330275464 843417439 /nfs/dbraw/zinc/41/74/39/843417439.db2.gz LNPGABPDIBBJJX-WBTNSWJXSA-N 0 0 378.435 3.539 10 30 GHEERN COc1ccccc1[C@H]1C[C@@H](C)CCN1C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329563889 861671080 /nfs/dbraw/zinc/67/10/80/861671080.db2.gz SCTKWYAZVBMIOZ-ODULNIPZSA-N 0 0 388.508 3.720 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)C2)nn1 ZINC000329592728 861727707 /nfs/dbraw/zinc/72/77/07/861727707.db2.gz OEQRBCYHGWDNIB-HOCLYGCPSA-N 0 0 383.427 3.625 10 30 GHEERN CCO[C@@H]1C[C@@H](N(C)C(=O)NCc2nnc(C(C)(C)C)s2)C12CCCC2 ZINC000329878947 862392843 /nfs/dbraw/zinc/39/28/43/862392843.db2.gz LOKMARXCDQFWKW-ZIAGYGMSSA-N 0 0 380.558 3.919 10 30 GHEERN O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)N1C[C@@H]2CCC[C@H]21 ZINC000329971044 862469272 /nfs/dbraw/zinc/46/92/72/862469272.db2.gz VGTOPBLBWWBBMP-QFBILLFUSA-N 0 0 376.522 3.964 10 30 GHEERN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)cc1 ZINC000330077643 862557389 /nfs/dbraw/zinc/55/73/89/862557389.db2.gz NBPDNMFWYYKWCX-IZZBFERCSA-N 0 0 383.492 3.931 10 30 GHEERN O=C(N[C@H]1CCC(=O)NC12CCC2)N1CCc2cc(Br)cc(F)c21 ZINC000328781659 854554476 /nfs/dbraw/zinc/55/44/76/854554476.db2.gz UWWRFTDRQLDOPO-ZDUSSCGKSA-N 0 0 396.260 3.906 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CC(=O)N(c3ccc(Cl)cc3)C1)CCC2 ZINC000328827821 854563392 /nfs/dbraw/zinc/56/33/92/854563392.db2.gz QPLRXEVBYURKTN-LSDHHAIUSA-N 0 0 386.883 3.732 10 30 GHEERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000328933781 854606759 /nfs/dbraw/zinc/60/67/59/854606759.db2.gz BYKYILQHUIVOOQ-HDMKZQKVSA-N 0 0 386.500 3.577 10 30 GHEERN N#Cc1cccc(/C=C/C(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000056302990 855514601 /nfs/dbraw/zinc/51/46/01/855514601.db2.gz PQMKTGIOSCEVLX-BJMVGYQFSA-N 0 0 393.874 3.600 10 30 GHEERN C[C@H](NC(=O)N1CCCN(c2ncccc2C#N)CC1)c1cc2ccccc2o1 ZINC000056570768 855574872 /nfs/dbraw/zinc/57/48/72/855574872.db2.gz DYUXPHIBGRVOIW-INIZCTEOSA-N 0 0 389.459 3.682 10 30 GHEERN Cc1nc(C)n(C[C@H]2CCCN(c3cc(C)c(C#N)c4nc5ccccc5n43)C2)n1 ZINC000112557405 857149451 /nfs/dbraw/zinc/14/94/51/857149451.db2.gz YDQKRTVSOFLPSX-SFHVURJKSA-N 0 0 399.502 3.793 10 30 GHEERN CCc1nc(NC(=O)NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)sc1C ZINC000330344530 863027848 /nfs/dbraw/zinc/02/78/48/863027848.db2.gz DATXASUOLICPEA-JTQLQIEISA-N 0 0 387.431 3.818 10 30 GHEERN COc1cc(/C=C/C(=O)N2CCC[C@H]2c2cccc(C)n2)ccc1OCC#N ZINC000166711686 859917931 /nfs/dbraw/zinc/91/79/31/859917931.db2.gz URTDXJCYECINGE-JARZOMNASA-N 0 0 377.444 3.678 10 30 GHEERN C[C@@H]1CC[C@H](NC(=O)N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)c2ccccc21 ZINC000329080124 861001171 /nfs/dbraw/zinc/00/11/71/861001171.db2.gz RFEMSQCJPYOBHG-MDASCCDHSA-N 0 0 395.507 3.788 10 30 GHEERN N#CCOc1ccc(/C=C/C(=O)N[C@H](c2nccs2)c2ccccc2)cc1 ZINC000171497562 882135228 /nfs/dbraw/zinc/13/52/28/882135228.db2.gz XUGMTQCCBSPTDW-ZBWUASRJSA-N 0 0 375.453 3.964 10 30 GHEERN Cc1nc([C@H](NC(=O)Nc2ccccc2O[C@@H](C)C#N)c2ccccc2F)no1 ZINC000180049604 883047385 /nfs/dbraw/zinc/04/73/85/883047385.db2.gz QCUYNTSBHAKFGJ-KPZWWZAWSA-N 0 0 395.394 3.719 10 30 GHEERN COc1cc(/C=C/C(=O)Nc2cccc(-c3noc(C)n3)c2)ccc1OCC#N ZINC000064329600 884227689 /nfs/dbraw/zinc/22/76/89/884227689.db2.gz BNRKARNUHPPSCB-VQHVLOKHSA-N 0 0 390.399 3.608 10 30 GHEERN O=S(=O)(N/N=C1\C[C@H](c2ccccc2)Oc2ccccc21)c1ccccc1 ZINC000018098877 221387203 /nfs/dbraw/zinc/38/72/03/221387203.db2.gz VBUXUIBABREPPX-OBVHCKHUSA-N 0 0 378.453 3.893 10 30 GHEERN CCN(CC)S(=O)(=O)c1ccc(N=NC(C)c2cccc(Cl)c2)nc1 ZINC000097991974 520795741 /nfs/dbraw/zinc/79/57/41/520795741.db2.gz GSRNWJBMPVDTLY-MOSHPQCFSA-N 0 0 380.901 3.602 10 30 GHEERN C=C(C)n1c2ccccc2n(CCCn2c3ccccc3n(C(=C)C)c2=O)c1=O ZINC000504256739 526849897 /nfs/dbraw/zinc/84/98/97/526849897.db2.gz ZHDWBCCMWMQTIB-UHFFFAOYSA-N 0 0 388.471 3.991 10 30 GHEERN O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N1CCC(c2cc[nH]n2)CC1 ZINC000329263140 834674387 /nfs/dbraw/zinc/67/43/87/834674387.db2.gz FGPYYYJFBAPWRS-UHFFFAOYSA-N 0 0 390.871 3.518 10 30 GHEERN C[C@H](NC(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1cccc(Cl)c1 ZINC000329281115 834743816 /nfs/dbraw/zinc/74/38/16/834743816.db2.gz NDWBPHLJJOSXIP-YOEHRIQHSA-N 0 0 378.904 3.585 10 30 GHEERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)NC1CCN(c2nccs2)CC1 ZINC000329340864 834870249 /nfs/dbraw/zinc/87/02/49/834870249.db2.gz RUJTTXXCPPZJKJ-JSGCOSHPSA-N 0 0 390.475 3.984 10 30 GHEERN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1 ZINC000329647562 835521829 /nfs/dbraw/zinc/52/18/29/835521829.db2.gz BJLPDGMWMCJETE-FUHWJXTLSA-N 0 0 397.523 3.873 10 30 GHEERN Cn1cc(N2CCC[C@H](NC(=O)C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)C2=O)cn1 ZINC000329741244 835840843 /nfs/dbraw/zinc/84/08/43/835840843.db2.gz VWFSZNMHTZUTJI-BPALKTCESA-N 0 0 384.524 3.869 10 30 GHEERN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)N[C@@H](c1cccc(C)c1)C(F)(F)F ZINC000330064703 839032833 /nfs/dbraw/zinc/03/28/33/839032833.db2.gz CLXIHBHGRAOQPO-RDJZCZTQSA-N 0 0 396.413 3.926 10 30 GHEERN C[C@@H]1CN(C(=O)NC2CC(c3cccc(Cl)c3)C2)C[C@]2(CCCOC2)O1 ZINC000330092399 839381183 /nfs/dbraw/zinc/38/11/83/839381183.db2.gz YPHXWMXJKDKSHS-NVGZGMTESA-N 0 0 378.900 3.770 10 30 GHEERN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000332894490 844627101 /nfs/dbraw/zinc/62/71/01/844627101.db2.gz LCPVVQHKPSXFST-KGLIPLIRSA-N 0 0 381.461 3.509 10 30 GHEERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CCC(c3ccc(O)cc3)CC1)C2 ZINC000329287507 861248356 /nfs/dbraw/zinc/24/83/56/861248356.db2.gz PRSNJPFABDTMAC-GOSISDBHSA-N 0 0 396.535 3.995 10 30 GHEERN C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O)c1ccc(-c2cccnc2)cc1 ZINC000329335638 861297616 /nfs/dbraw/zinc/29/76/16/861297616.db2.gz ORRXDKXEZBESIU-FBEWHJACSA-N 0 0 395.503 3.585 10 30 GHEERN Cc1nc(C[C@@H]2CCCN(C([O-])=[NH+]CCc3ccc(F)cc3Cl)C2)no1 ZINC000329407127 861380676 /nfs/dbraw/zinc/38/06/76/861380676.db2.gz ZOBJRCWIMIWJRP-ZDUSSCGKSA-N 0 0 380.851 3.582 10 30 GHEERN COc1sc(CNc2cnn(-c3ncccc3C#N)c2)cc1Br ZINC000185850284 861657210 /nfs/dbraw/zinc/65/72/10/861657210.db2.gz ANSLRWYELZSFSZ-UHFFFAOYSA-N 0 0 390.266 3.584 10 30 GHEERN CCS(=O)(=O)c1c(Cl)cccc1/C=C\C(=O)c1cc(O)ccc1OC ZINC000588509124 846713354 /nfs/dbraw/zinc/71/33/54/846713354.db2.gz HZNDSXBJRMOBQV-CLFYSBASSA-N 0 0 380.849 3.744 10 30 GHEERN Cc1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000329634554 861855436 /nfs/dbraw/zinc/85/54/36/861855436.db2.gz XOKWRAJDJUHJDT-CYBMUJFWSA-N 0 0 380.279 3.896 10 30 GHEERN O=C(N[C@H]1CCOc2ccccc21)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000329125121 849276280 /nfs/dbraw/zinc/27/62/80/849276280.db2.gz SSQZJARGMBDNRP-IBGZPJMESA-N 0 0 392.455 3.985 10 30 GHEERN N#Cc1cccc(OCCCCC(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000190422311 850007732 /nfs/dbraw/zinc/00/77/32/850007732.db2.gz ACPOXFBPWWGIDZ-UHFFFAOYSA-N 0 0 384.505 3.667 10 30 GHEERN COCCn1cc2c(n1)[C@H](NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)CCC2 ZINC000329778406 862315161 /nfs/dbraw/zinc/31/51/61/862315161.db2.gz LCAODMUSJATRCR-RRFJBIMHSA-N 0 0 388.434 3.532 10 30 GHEERN Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@H](C)c2ccccc2Cl)o1 ZINC000329899038 862407192 /nfs/dbraw/zinc/40/71/92/862407192.db2.gz FFKXYNINPUQZRX-XBFCOCLRSA-N 0 0 395.866 3.555 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@H](C(=O)c3ccc(F)cc3)C1)CCC2 ZINC000328647860 854488149 /nfs/dbraw/zinc/48/81/49/854488149.db2.gz HTJCCMPZRXWIAT-ROUUACIJSA-N 0 0 398.482 3.717 10 30 GHEERN O=C(N[C@H]1CCC(=O)NC12CCC2)c1cnn2c1nccc2-c1ccccc1 ZINC000328691839 854511254 /nfs/dbraw/zinc/51/12/54/854511254.db2.gz IZKRHAMTINPTQA-KRWDZBQOSA-N 0 0 375.432 3.743 10 30 GHEERN Cc1noc([C@@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C2CCOCC2)n1 ZINC000328760561 854531727 /nfs/dbraw/zinc/53/17/27/854531727.db2.gz XJEJPTNVYKMHEZ-MDKPJZGXSA-N 0 0 383.448 3.543 10 30 GHEERN C[C@@H](NC(=O)[C@H]1CCO[C@@H]1c1cccnc1)C1CCN(CC(F)(F)F)CC1 ZINC000328788679 854557993 /nfs/dbraw/zinc/55/79/93/854557993.db2.gz XTUQVHLGUJURLP-XOKHGSTOSA-N 0 0 385.430 3.779 10 30 GHEERN CCC[C@H](NC(=O)C[C@@H]1CCCCNC1=O)C(=O)N1CCc2sccc2C1 ZINC000328800312 854562102 /nfs/dbraw/zinc/56/21/02/854562102.db2.gz YHALFDJMOMKTTA-HOCLYGCPSA-N 0 0 391.537 3.905 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CCCN(C(=O)c3ccccc3)C1)CCC2 ZINC000328803924 854563465 /nfs/dbraw/zinc/56/34/65/854563465.db2.gz LJVQSGUWSRRTDN-OALUTQOASA-N 0 0 380.492 3.578 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@H](C)c3ccc(F)cc3Cl)C2)nn1 ZINC000329690237 854625605 /nfs/dbraw/zinc/62/56/05/854625605.db2.gz VZKDSEWOTAUZDE-HIFRSBDPSA-N 0 0 391.878 3.811 10 30 GHEERN Cc1noc([C@H](NC(=O)N[C@@H](C)c2cccc(Cl)c2)C2CCOCC2)n1 ZINC000328965768 854635713 /nfs/dbraw/zinc/63/57/13/854635713.db2.gz MNDSVHRLWLNWRJ-MEDUHNTESA-N 0 0 378.860 3.764 10 30 GHEERN CC(C)n1ncc2c1C[C@H](NC(=O)[C@@H]1CC(=O)N([C@H](C)c3ccccc3)C1)CC2 ZINC000330164491 862627494 /nfs/dbraw/zinc/62/74/94/862627494.db2.gz TYTNJAOBGVIUAF-NSISKUIASA-N 0 0 394.519 3.888 10 30 GHEERN CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000330329137 862911738 /nfs/dbraw/zinc/91/17/38/862911738.db2.gz MHWGQYWWWMJJPX-YUXAGFNASA-N 0 0 395.551 3.726 10 30 GHEERN Cc1ccc(NC(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)c(F)c1 ZINC000330352050 863057708 /nfs/dbraw/zinc/05/77/08/863057708.db2.gz MZMKDFQXAJEANZ-MRXNPFEDSA-N 0 0 384.455 3.828 10 30 GHEERN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)/C=C/c1cccc(C#N)c1 ZINC000117708406 859579458 /nfs/dbraw/zinc/57/94/58/859579458.db2.gz UQTDREHCQSWMGH-WAEYIKQSSA-N 0 0 389.455 3.518 10 30 GHEERN C=CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000102578126 860335557 /nfs/dbraw/zinc/33/55/57/860335557.db2.gz KIGQIXSBIJYNRT-FQEVSTJZSA-N 0 0 379.504 3.919 10 30 GHEERN C=CCOc1cccc(NC(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)c1 ZINC000102533870 860755132 /nfs/dbraw/zinc/75/51/32/860755132.db2.gz SFPSFSJUSIFOBV-KRWDZBQOSA-N 0 0 381.476 3.908 10 30 GHEERN CC(C)N1C(=O)N[C@@H]2CN(C(=O)N[C@H]3c4ccccc4CCC3(C)C)CC[C@@H]21 ZINC000329075952 860997765 /nfs/dbraw/zinc/99/77/65/860997765.db2.gz PPYSNLAJPBUDSZ-QYZOEREBSA-N 0 0 384.524 3.695 10 30 GHEERN O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000329096337 861012810 /nfs/dbraw/zinc/01/28/10/861012810.db2.gz BROINSJXOSLGAC-VNQPRFMTSA-N 0 0 389.839 3.781 10 30 GHEERN N#CCOc1ccc(/C=C/C(=O)N2CCC(OCc3ccc(F)cc3)CC2)cc1 ZINC000092616375 882408964 /nfs/dbraw/zinc/40/89/64/882408964.db2.gz MSMWYXIEZPHKPF-BJMVGYQFSA-N 0 0 394.446 3.949 10 30 GHEERN N#CCSc1cccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 ZINC000175551084 882596060 /nfs/dbraw/zinc/59/60/60/882596060.db2.gz YGMAXUTVEQUSNI-KRWDZBQOSA-N 0 0 379.485 3.793 10 30 GHEERN COc1cccc(N2CC[C@@H](CNC(=O)c3cccc(SCC#N)c3)C2)c1 ZINC000176039207 882662043 /nfs/dbraw/zinc/66/20/43/882662043.db2.gz DWOCTPDVIIIMTC-INIZCTEOSA-N 0 0 381.501 3.567 10 30 GHEERN CC(=O)N1CC[C@@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccc(F)cc2C1 ZINC000184841994 883386053 /nfs/dbraw/zinc/38/60/53/883386053.db2.gz OPNZPYYUJCGRQR-HXUWFJFHSA-N 0 0 380.423 3.507 10 30 GHEERN Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000185032396 883399403 /nfs/dbraw/zinc/39/94/03/883399403.db2.gz VDQBLLICRUZTOQ-IBGZPJMESA-N 0 0 394.450 3.640 10 30 GHEERN C=C(C)[C@@H](NC(=O)N1CCC(Cc2nccn2C)CC1)c1ccc(F)c(F)c1 ZINC000185449720 883458946 /nfs/dbraw/zinc/45/89/46/883458946.db2.gz HKYCUALIHGOOGW-HXUWFJFHSA-N 0 0 388.462 3.980 10 30 GHEERN CC(C)(C#N)c1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)cc1 ZINC000193029958 884321867 /nfs/dbraw/zinc/32/18/67/884321867.db2.gz QJJBIXFKYJTYBO-QGZVFWFLSA-N 0 0 383.473 3.528 10 30 GHEERN N#Cc1cc(NC(=O)Cn2c3ccccc3nc2-c2cscn2)ccc1F ZINC000102879373 884599922 /nfs/dbraw/zinc/59/99/22/884599922.db2.gz KHXPNICQRXQNMU-UHFFFAOYSA-N 0 0 377.404 3.809 10 30 GHEERN Cc1ccc(-c2nc(CCNC(=O)/C=C/c3ccc(OCC#N)cc3)co2)cc1 ZINC000102358183 885968181 /nfs/dbraw/zinc/96/81/81/885968181.db2.gz GZZRCSRXXKAIRY-IZZDOVSWSA-N 0 0 387.439 3.925 10 30 GHEERN CN1CC[C@H](NC(=O)c2cccc(SCC#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127769249 887097578 /nfs/dbraw/zinc/09/75/78/887097578.db2.gz UFHBXOKUYMZAOR-OALUTQOASA-N 0 0 387.455 3.756 10 30 GHEERN Cc1ccc([C@H]2CN(CC(=O)Nc3ccccc3SC[C@H](C)C#N)CCO2)o1 ZINC000246692376 891298485 /nfs/dbraw/zinc/29/84/85/891298485.db2.gz MXVMBYVARAXMOL-DNVCBOLYSA-N 0 0 399.516 3.852 10 30 GHEERN O=S(=O)(N/N=C1/CCCCc2ccccc21)c1ccc(Br)cc1 ZINC000014017007 221295220 /nfs/dbraw/zinc/29/52/20/221295220.db2.gz XIQDJMZMLLWAKI-ZPHPHTNESA-N 0 0 393.306 3.858 10 30 GHEERN COc1ccc([C@H]2N=C(Nc3nc4ccccc4o3)NC3=C2C(=O)CCC3)cc1 ZINC000017079273 221377948 /nfs/dbraw/zinc/37/79/48/221377948.db2.gz HHWSBGPCYQPTAC-HXUWFJFHSA-N 0 0 388.427 3.956 10 30 GHEERN CCOC(=O)c1ccc(NN=C(Br)C(=O)Nc2ccccc2)cc1 ZINC000022130353 221552772 /nfs/dbraw/zinc/55/27/72/221552772.db2.gz IELURIIOMPHMNJ-RCCKNPSSSA-N 0 0 390.237 3.622 10 30 GHEERN C#CCCOc1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccccc2OC)cc1 ZINC000011783765 518250626 /nfs/dbraw/zinc/25/06/26/518250626.db2.gz PTVWKWXKRCSCID-OAQYLSRUSA-N 0 0 393.483 3.919 10 30 GHEERN C=C(C)CN(CC)C(=O)c1cn(C(C)C)cc(C(=O)N[C@H](C)c2ccco2)c1=O ZINC000015005709 518598113 /nfs/dbraw/zinc/59/81/13/518598113.db2.gz VJXKXGMAWQNKCC-MRXNPFEDSA-N 0 0 399.491 3.551 10 30 GHEERN C=CCN1C(=O)S/C(=C\c2cc(Br)cc(OC)c2OC)C1=O ZINC000033311567 518842085 /nfs/dbraw/zinc/84/20/85/518842085.db2.gz UHANYCNAWLKFPA-GHXNOFRVSA-N 0 0 384.251 3.689 10 30 GHEERN COc1ccc(-c2nnc(S/C(=N\Nc3ccccc3)C(C)=O)n2C)cc1 ZINC000102659884 523257003 /nfs/dbraw/zinc/25/70/03/523257003.db2.gz FDBPLEJTWKVLAD-PYCFMQQDSA-N 0 0 381.461 3.597 10 30 GHEERN Cc1ccc(S(=O)(=O)OC[C@@H](O[C@@H]2CCCCO2)c2ccccc2)cc1 ZINC000005546089 525620326 /nfs/dbraw/zinc/62/03/26/525620326.db2.gz SGSDYBVWAAOVHZ-WOJBJXKFSA-N 0 0 376.474 3.985 10 30 GHEERN O=S(=O)(c1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1)N1CCOCC1 ZINC000100039886 527268264 /nfs/dbraw/zinc/26/82/64/527268264.db2.gz XQVCSNCHYMUOLV-UDWIEESQSA-N 0 0 399.299 3.765 10 30 GHEERN O=[N+]([O-])c1ccc(/C=N\c2ccc(S(=O)(=O)N3CCCCCC3)cc2)s1 ZINC000100235579 527346119 /nfs/dbraw/zinc/34/61/19/527346119.db2.gz KLWOPKUHQXGYOU-AQTBWJFISA-N 0 0 393.490 3.972 10 30 GHEERN Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCO[C@@H]2CCCC[C@H]21 ZINC000329142281 834425706 /nfs/dbraw/zinc/42/57/06/834425706.db2.gz LCOTXJLJXJEFAU-IAGOWNOFSA-N 0 0 379.888 3.836 10 30 GHEERN COCCN(C)c1ccc(/C=C\C(=O)c2c(C)nn(-c3ccccc3)c2C)cn1 ZINC000588579059 834655563 /nfs/dbraw/zinc/65/55/63/834655563.db2.gz VLLXLPZVSKFUDH-BENRWUELSA-N 0 0 390.487 3.863 10 30 GHEERN CC(C)N1CC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2CO)[C@@H]1c1ccc(F)c(F)c1 ZINC000329271434 834687451 /nfs/dbraw/zinc/68/74/51/834687451.db2.gz IAVIMZZHQZXMCB-XCLNPWKQSA-N 0 0 395.494 3.543 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@@H]3c3ccc(F)cc3)C2)nn1 ZINC000329554951 835234516 /nfs/dbraw/zinc/23/45/16/835234516.db2.gz DPBBMTJTMQMRPM-RBUKOAKNSA-N 0 0 383.471 3.644 10 30 GHEERN O=C(Nc1ccccc1N1CCC(O)CC1)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329569191 835259825 /nfs/dbraw/zinc/25/98/25/835259825.db2.gz LVIUFWRDGDTPBC-FDDCHVKYSA-N 0 0 378.472 3.976 10 30 GHEERN CC1(C)C[C@H](NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c2ccc(F)cc2O1 ZINC000330166358 838179276 /nfs/dbraw/zinc/17/92/76/838179276.db2.gz XVVVRJRHTBXGIA-XXHMAFKTSA-N 0 0 376.472 3.969 10 30 GHEERN C[C@H]1CN(Cc2ccccc2)CCN1C(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC000330018286 838511326 /nfs/dbraw/zinc/51/13/26/838511326.db2.gz SNZVWJBAIOLBKY-RPCJCACASA-N 0 0 383.536 3.645 10 30 GHEERN CC(=O)N1CCN(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)CC12CCCCC2 ZINC000330062499 839022549 /nfs/dbraw/zinc/02/25/49/839022549.db2.gz AVBRBIWZRSGHCN-NHCUHLMSSA-N 0 0 399.535 3.545 10 30 GHEERN C[C@@H](NC(=O)N1C[C@@H](C)O[C@@]2(CCCOC2)C1)c1cccc(Br)c1 ZINC000330083765 839245792 /nfs/dbraw/zinc/24/57/92/839245792.db2.gz QOTXFGARVZIGKX-LBTNJELSSA-N 0 0 397.313 3.694 10 30 GHEERN C[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)CC(C)(C)C1 ZINC000329265426 861220628 /nfs/dbraw/zinc/22/06/28/861220628.db2.gz CHZMLPYWMKZGSA-IKGGRYGDSA-N 0 0 384.528 3.760 10 30 GHEERN CON=Cc1ccc(C(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)cc1 ZINC000588420687 841867960 /nfs/dbraw/zinc/86/79/60/841867960.db2.gz GGIJBBAWGWBRPF-SFHVURJKSA-N 0 0 392.377 3.899 10 30 GHEERN N#Cc1ccccc1Cn1cccc1CN1CCn2c(nnc2-c2ccccc2)C1 ZINC000187425977 841931392 /nfs/dbraw/zinc/93/13/92/841931392.db2.gz FVWGVLIFBPSZTK-UHFFFAOYSA-N 0 0 394.482 3.682 10 30 GHEERN O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000329304929 861267362 /nfs/dbraw/zinc/26/73/62/861267362.db2.gz XJTWPUAPUGYCKE-XPKDYRNWSA-N 0 0 382.420 3.899 10 30 GHEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)no1 ZINC000329417557 861392913 /nfs/dbraw/zinc/39/29/13/861392913.db2.gz ZMEABDKALDQZKR-OWCLPIDISA-N 0 0 376.844 3.613 10 30 GHEERN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC[C@@H](C)c4cccc(O)c43)C2)n1 ZINC000408269794 843684789 /nfs/dbraw/zinc/68/47/89/843684789.db2.gz SXVUBXXQMUWWAK-CRAIPNDOSA-N 0 0 390.487 3.724 10 30 GHEERN C[C@H](N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1ccc(C#N)s1 ZINC000183364428 847338657 /nfs/dbraw/zinc/33/86/57/847338657.db2.gz YBYXELHNMWLCND-IXDGSTSKSA-N 0 0 375.925 3.996 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)NCC(C)(C)c3ccccc3C)C2)nn1 ZINC000329626538 861815347 /nfs/dbraw/zinc/81/53/47/861815347.db2.gz VMQXBFFJFKFRRB-SFHVURJKSA-N 0 0 381.524 3.544 10 30 GHEERN CC[C@H](NC(=O)C(C#N)=C(O)C=Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000588557735 848727179 /nfs/dbraw/zinc/72/71/79/848727179.db2.gz BGUJAGBPSRIFOG-XANBCXBQSA-N 0 0 392.455 3.693 10 30 GHEERN Cc1cccc(C(C)(C)CNC(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)c1 ZINC000329682772 862052870 /nfs/dbraw/zinc/05/28/70/862052870.db2.gz SRHGFEAMYVYWQO-IBGZPJMESA-N 0 0 381.524 3.544 10 30 GHEERN O=C(NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2)N1CC[C@@H](CCO)C1 ZINC000329865113 862382942 /nfs/dbraw/zinc/38/29/42/862382942.db2.gz TYZXZSOEMLGHCC-RDJZCZTQSA-N 0 0 385.533 3.534 10 30 GHEERN Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2C[C@]23CCOc2ccccc23)on1 ZINC000329896237 862405148 /nfs/dbraw/zinc/40/51/48/862405148.db2.gz CKEYBXSGNYSBSV-ZLFOXAAKSA-N 0 0 399.466 3.592 10 30 GHEERN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)N2C[C@H]3CCC[C@H]32)c1 ZINC000329941676 862441860 /nfs/dbraw/zinc/44/18/60/862441860.db2.gz VEKMSMWDPDNTKZ-DNVCBOLYSA-N 0 0 385.489 3.542 10 30 GHEERN Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CCC[C@H]2CC2CCCCC2)cn1 ZINC000330050852 862534292 /nfs/dbraw/zinc/53/42/92/862534292.db2.gz MLFHNZVKAHCFJW-NSHGMRRFSA-N 0 0 387.528 3.929 10 30 GHEERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000328732395 854540617 /nfs/dbraw/zinc/54/06/17/854540617.db2.gz JAFYPUQQVIHXEN-INMHGKMJSA-N 0 0 395.569 3.789 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)NC3CCCC3)C1)CCC2 ZINC000328734768 854541691 /nfs/dbraw/zinc/54/16/91/854541691.db2.gz YQIQXQZSZKFQMS-DLBZAZTESA-N 0 0 387.528 3.594 10 30 GHEERN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@H]1CCCn2cc(C)nc21 ZINC000328817866 854548309 /nfs/dbraw/zinc/54/83/09/854548309.db2.gz ODBRJXJXJYDMNS-QUCCMNQESA-N 0 0 380.492 3.561 10 30 GHEERN Cc1ccc(NC(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)c(C)c1 ZINC000330106764 862578447 /nfs/dbraw/zinc/57/84/47/862578447.db2.gz LHDUIYKFXULTBM-GOSISDBHSA-N 0 0 380.492 3.997 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c3ccc(F)cc3)C1)CCC2 ZINC000328836305 854569682 /nfs/dbraw/zinc/56/96/82/854569682.db2.gz SOIGLPJNUDBOCL-ZWKOTPCHSA-N 0 0 398.482 3.717 10 30 GHEERN COc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)c(OC)c1 ZINC000328901580 854588232 /nfs/dbraw/zinc/58/82/32/854588232.db2.gz ZGLIPFKQJUCBLT-UWVAXJGDSA-N 0 0 387.480 3.652 10 30 GHEERN Cn1nccc1[C@H]1[C@H](NC(=O)C2C3CC4CC(C3)CC2C4)CCC(=O)N1C1CC1 ZINC000328999039 854646435 /nfs/dbraw/zinc/64/64/35/854646435.db2.gz KOLXQIUWDRRPOC-CNWRKWSXSA-N 0 0 396.535 3.643 10 30 GHEERN C[C@H](NC(=O)N1CCCN(c2ncccc2C#N)CC1)c1ccccc1Cl ZINC000056552097 855569273 /nfs/dbraw/zinc/56/92/73/855569273.db2.gz IZPQUTLURJHNBM-HNNXBMFYSA-N 0 0 383.883 3.590 10 30 GHEERN N#C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(Br)c1 ZINC000102639612 860494482 /nfs/dbraw/zinc/49/44/82/860494482.db2.gz MHFVPCZMCANUEH-INIZCTEOSA-N 0 0 399.204 3.833 10 30 GHEERN COc1ccc(NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)c(Br)c1 ZINC000329130913 861052812 /nfs/dbraw/zinc/05/28/12/861052812.db2.gz OQGRCYFXJAHRQT-MLGOLLRUSA-N 0 0 394.269 3.947 10 30 GHEERN N#CCSc1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 ZINC000175551067 882596070 /nfs/dbraw/zinc/59/60/70/882596070.db2.gz YGMAXUTVEQUSNI-QGZVFWFLSA-N 0 0 379.485 3.793 10 30 GHEERN C=CCOc1ccc(C(=O)OC[C@@H]2CCCN(C(=O)c3ccc(C)o3)C2)cc1 ZINC000102142037 872639004 /nfs/dbraw/zinc/63/90/04/872639004.db2.gz ICLPVOPNXJBBBU-QGZVFWFLSA-N 0 0 383.444 3.862 10 30 GHEERN Cc1nccn1-c1ccc([C@H](C)NC(=O)/C=C/c2ccc(OCC#N)cc2)cc1 ZINC000176185888 882643649 /nfs/dbraw/zinc/64/36/49/882643649.db2.gz AIXUPYQOYYEFHH-QJXUFPCYSA-N 0 0 386.455 3.974 10 30 GHEERN N#CCCn1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000176010629 882656809 /nfs/dbraw/zinc/65/68/09/882656809.db2.gz QJHWZDKHYGKOBB-QGZVFWFLSA-N 0 0 389.463 3.598 10 30 GHEERN C#CC[C@@H](OC(=O)c1ccc(OCC(F)(F)C(F)F)nc1)c1ccccn1 ZINC000105550010 875327016 /nfs/dbraw/zinc/32/70/16/875327016.db2.gz AXXUNEBYDJXUQA-CQSZACIVSA-N 0 0 382.313 3.677 10 30 GHEERN COc1cc(/C=C/C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)ccc1OCC#N ZINC000184912446 883402696 /nfs/dbraw/zinc/40/26/96/883402696.db2.gz DJWVJANFFNPZPI-IQIBNGDESA-N 0 0 398.409 3.905 10 30 GHEERN COc1ccccc1SC[C@H](C)CNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000103421834 884976559 /nfs/dbraw/zinc/97/65/59/884976559.db2.gz UKBWLSIARCFJGT-HZPDHXFCSA-N 0 0 384.501 3.879 10 30 GHEERN N#Cc1cccc(OC2CCN(C(=O)c3c[nH]nc3-c3ccc(F)cc3)CC2)c1 ZINC000104918446 886685047 /nfs/dbraw/zinc/68/50/47/886685047.db2.gz QJEDVNMQWAEFBZ-UHFFFAOYSA-N 0 0 390.418 3.771 10 30 GHEERN COc1ccc([C@@H]2CCN(C(=O)/C=C/c3ccc(OCC#N)c(OC)c3)C2)cc1 ZINC000133010889 887723538 /nfs/dbraw/zinc/72/35/38/887723538.db2.gz CRWQEHDBYHGIPJ-OFCRBKOVSA-N 0 0 392.455 3.635 10 30 GHEERN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000105287691 888279067 /nfs/dbraw/zinc/27/90/67/888279067.db2.gz VVYALLDQNLARRS-UHFFFAOYSA-N 0 0 380.835 3.624 10 30 GHEERN C=CCOc1cccc(NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000056772272 888377309 /nfs/dbraw/zinc/37/73/09/888377309.db2.gz AUCNLPGWSBZMBK-UHFFFAOYSA-N 0 0 385.508 3.898 10 30 GHEERN Cc1nccn1-c1ccc(CNC(=O)/C=C/c2ccc(OCC#N)cc2)cc1F ZINC000067523888 891153293 /nfs/dbraw/zinc/15/32/93/891153293.db2.gz XFTWLESAABSNNP-WEVVVXLNSA-N 0 0 390.418 3.552 10 30 GHEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000068792601 891187335 /nfs/dbraw/zinc/18/73/35/891187335.db2.gz NJPAZRLDEAKLMN-SFHVURJKSA-N 0 0 397.456 3.613 10 30 GHEERN Cc1oc(-c2ccc(C)cc2)nc1C[S@@](=O)CC(=O)Nc1ccccc1C#N ZINC000004715537 220753154 /nfs/dbraw/zinc/75/31/54/220753154.db2.gz WXRFBTWIYOXZJL-NDEPHWFRSA-N 0 0 393.468 3.718 10 30 GHEERN C#CCCOc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccccc2OC)cc1 ZINC000011783764 518250614 /nfs/dbraw/zinc/25/06/14/518250614.db2.gz PTVWKWXKRCSCID-NRFANRHFSA-N 0 0 393.483 3.919 10 30 GHEERN C=CCN1C(=O)/C(=C2\C(=O)Nc3ccccc32)SC1=Nc1ccc(O)cc1 ZINC000252626968 518830751 /nfs/dbraw/zinc/83/07/51/518830751.db2.gz RJFWCGLEYWNSGE-SZDIJZBUSA-N 0 0 377.425 3.505 10 30 GHEERN Cn1c2ccccc2c2nnc(N=NCc3ccccc3Br)nc21 ZINC000005571500 570446755 /nfs/dbraw/zinc/44/67/55/570446755.db2.gz KHULAWWVPYXWKI-VXLYETTFSA-N 0 0 381.237 3.725 10 30 GHEERN Cn1c(=O)sc2cc(/C=C\C(=O)c3ncc(Br)s3)ccc21 ZINC000588599040 834540984 /nfs/dbraw/zinc/54/09/84/834540984.db2.gz NFSCDRWQLVIUJW-HYXAFXHYSA-N 0 0 381.276 3.715 10 30 GHEERN Cc1csc(C2CCN(S(=O)(=O)c3cccc(Cl)c3C#N)CC2)n1 ZINC000157144221 834771324 /nfs/dbraw/zinc/77/13/24/834771324.db2.gz DJTHWXDSGVKGFM-UHFFFAOYSA-N 0 0 381.910 3.545 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3COc4ccc(Cl)cc4C3)C2)nn1 ZINC000329474734 835104898 /nfs/dbraw/zinc/10/48/98/835104898.db2.gz BQKPLRHOMSCBCK-RDJZCZTQSA-N 0 0 386.883 3.615 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H](C)c3ccc(F)c(Cl)c3)C2)nn1 ZINC000329583808 835292732 /nfs/dbraw/zinc/29/27/32/835292732.db2.gz LTGMETLERAFEJK-ZFWWWQNUSA-N 0 0 391.878 3.811 10 30 GHEERN CCc1csc([C@@H]2CCCN(C(=O)NCc3cn4ccc(C)cc4n3)C2)n1 ZINC000329588635 835307116 /nfs/dbraw/zinc/30/71/16/835307116.db2.gz YZWVXRLKCGDPGY-OAHLLOKOSA-N 0 0 383.521 3.955 10 30 GHEERN Cc1nc([C@@H]2CCCN(C(=O)CCNC(=O)c3ccsc3)C2)sc1C ZINC000329639103 835496352 /nfs/dbraw/zinc/49/63/52/835496352.db2.gz ZDCJXBFFUBQBNY-CQSZACIVSA-N 0 0 377.535 3.922 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@@H]3Cc3cccc(F)c3)C2)nn1 ZINC000329662396 835558449 /nfs/dbraw/zinc/55/84/49/835558449.db2.gz JCCOFTYOLZTGFN-VQTJNVASSA-N 0 0 397.498 3.514 10 30 GHEERN Cc1ccc(N2CCC[C@@H](NC(=O)N3CC=C(c4ccc(F)cc4)CC3)C2)nn1 ZINC000329661804 835564435 /nfs/dbraw/zinc/56/44/35/835564435.db2.gz IUNPKGSGLDCJNZ-HXUWFJFHSA-N 0 0 395.482 3.596 10 30 GHEERN N#CCCN(CC(F)(F)F)S(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000588588861 835725723 /nfs/dbraw/zinc/72/57/23/835725723.db2.gz NIPMWADRLXZVTQ-YVMONPNESA-N 0 0 397.216 3.528 10 30 GHEERN O=C(Nc1cc(F)cc(N2CCOCC2)c1)[C@H]1C[C@]12CCOc1ccccc12 ZINC000329733876 835810010 /nfs/dbraw/zinc/81/00/10/835810010.db2.gz QZVYVMHKCLJSDA-KNQAVFIVSA-N 0 0 382.435 3.991 10 30 GHEERN CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCc1cc(F)cc2c1OCOC2 ZINC000329758573 835891995 /nfs/dbraw/zinc/89/19/95/835891995.db2.gz NTFDOHKWEQPDFN-GUYCJALGSA-N 0 0 393.459 3.573 10 30 GHEERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000328598427 836502882 /nfs/dbraw/zinc/50/28/82/836502882.db2.gz BDFDPRNYNDDITL-IIAWOOMASA-N 0 0 389.462 3.935 10 30 GHEERN CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329974323 836582495 /nfs/dbraw/zinc/58/24/95/836582495.db2.gz ZBEUBMCGVQCFDF-RRZHCZHMSA-N 0 0 381.476 3.678 10 30 GHEERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000189076273 838196269 /nfs/dbraw/zinc/19/62/69/838196269.db2.gz MUYALISRXNPQQL-OXJNMPFZSA-N 0 0 388.427 3.519 10 30 GHEERN C[C@@H](NC(=O)N1CCCN(c2ncccc2C#N)CC1)c1ccc(Cl)cc1 ZINC000098024385 842208959 /nfs/dbraw/zinc/20/89/59/842208959.db2.gz LSCHTZSQPOSYDF-OAHLLOKOSA-N 0 0 383.883 3.590 10 30 GHEERN O=C(C[C@@H]1CCCCC(=O)N1)N1CSC[C@H]1C(=O)Nc1cccc(F)c1 ZINC000329351575 861315908 /nfs/dbraw/zinc/31/59/08/861315908.db2.gz XFNQVJZBOATIGG-GJZGRUSLSA-N 0 0 379.457 3.604 10 30 GHEERN Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)N3CC[C@@H]4CCC[C@H]43)cs2)c1 ZINC000330291382 843531608 /nfs/dbraw/zinc/53/16/08/843531608.db2.gz CTBPMJIRVYAWKG-XJKSGUPXSA-N 0 0 385.489 3.737 10 30 GHEERN Cc1cc(C(C)C)nc(N2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)n1 ZINC000185807786 861564224 /nfs/dbraw/zinc/56/42/24/861564224.db2.gz LORUIGMOEDBLCD-UHFFFAOYSA-N 0 0 398.898 3.788 10 30 GHEERN N#C[C@@H]1CN(C(=O)Nc2cccc(-c3ncco3)c2)CCN1Cc1ccccc1 ZINC000152326436 846689714 /nfs/dbraw/zinc/68/97/14/846689714.db2.gz MEYPLAXXSLSZGA-HXUWFJFHSA-N 0 0 387.443 3.583 10 30 GHEERN CC(=O)N1C[C@H](CCC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c2ccccc21 ZINC000329595397 861730227 /nfs/dbraw/zinc/73/02/27/861730227.db2.gz BVDAVDMTKBBCIE-DLBZAZTESA-N 0 0 395.507 3.603 10 30 GHEERN O=C(Nc1nc(CN2CCOCC2)cs1)N[C@H]1CCCc2cc(F)ccc21 ZINC000329056619 847179278 /nfs/dbraw/zinc/17/92/78/847179278.db2.gz SRSNPWZSFQKZOF-KRWDZBQOSA-N 0 0 390.484 3.518 10 30 GHEERN Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000329633501 861853750 /nfs/dbraw/zinc/85/37/50/861853750.db2.gz SLPQXRQYKJDREP-ZJOUEHCJSA-N 0 0 380.492 3.878 10 30 GHEERN CSc1nn(-c2ccccc2)c(NC(=O)/C=C\c2ncccc2C)c1C#N ZINC000588543318 848101581 /nfs/dbraw/zinc/10/15/81/848101581.db2.gz HXKWODWTFYHEIY-KHPPLWFESA-N 0 0 375.457 3.821 10 30 GHEERN CN(CCC#N)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 ZINC000101858769 851939552 /nfs/dbraw/zinc/93/95/52/851939552.db2.gz WVNXOEHEIWFYGE-BVSLBCMMSA-N 0 0 389.499 3.985 10 30 GHEERN C[C@@H]1CC(CNC(=O)N2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)C[C@@H](C)O1 ZINC000329793663 862324872 /nfs/dbraw/zinc/32/48/72/862324872.db2.gz BIHVUYIPYLYFDO-MDZRGWNJSA-N 0 0 397.523 3.769 10 30 GHEERN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2CCO[C@@H](c3nccs3)C2)cc1 ZINC000329949917 862448615 /nfs/dbraw/zinc/44/86/15/862448615.db2.gz LRWRKSOOLXOPEM-KSZLIROESA-N 0 0 387.505 3.659 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CCN(c3cccc(Cl)c3)C1=O)CCC2 ZINC000328637706 854486249 /nfs/dbraw/zinc/48/62/49/854486249.db2.gz BDEYJKHMLPFQGW-YOEHRIQHSA-N 0 0 386.883 3.732 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CC(=O)N(c3cccc(C)c3C)C1)CCC2 ZINC000328815550 854547722 /nfs/dbraw/zinc/54/77/22/854547722.db2.gz NQOBOPBXXJIZHN-ZWKOTPCHSA-N 0 0 380.492 3.695 10 30 GHEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000328823898 854552088 /nfs/dbraw/zinc/55/20/88/854552088.db2.gz GTRDGRMFENKFCR-IXDOHACOSA-N 0 0 389.887 3.528 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@H](c1ccccc1)N1CCCCC1=O)CCC2 ZINC000328803413 854562606 /nfs/dbraw/zinc/56/26/06/854562606.db2.gz LGZJBMBZFPHNHV-ICSRJNTNSA-N 0 0 380.492 3.779 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1COc3ccc(Br)cc31)CCC2 ZINC000328879596 854595673 /nfs/dbraw/zinc/59/56/73/854595673.db2.gz KBXSTIMILBXHLA-WFASDCNBSA-N 0 0 390.281 3.964 10 30 GHEERN CN1CCO[C@@H]2CCN(C(=O)Nc3ccc4nc(C(C)(C)C)sc4c3)C[C@@H]21 ZINC000328999876 854646383 /nfs/dbraw/zinc/64/63/83/854646383.db2.gz GNOYDQKQONXWJH-JKSUJKDBSA-N 0 0 388.537 3.544 10 30 GHEERN O=C(NCC1(O)CCCCC1)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1 ZINC000330134250 862602552 /nfs/dbraw/zinc/60/25/52/862602552.db2.gz MIDIRKQCAGZEAJ-HKUYNNGSSA-N 0 0 387.455 3.741 10 30 GHEERN N#C[C@@H]1CN(C(=O)N[C@@H]2CCOC3(CCSCC3)C2)C[C@H]1c1ccccc1 ZINC000330209260 862663637 /nfs/dbraw/zinc/66/36/37/862663637.db2.gz HNCSCCYVJYUNIO-QRVBRYPASA-N 0 0 385.533 3.584 10 30 GHEERN CCOc1ccc(C#N)cc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000056476300 855554947 /nfs/dbraw/zinc/55/49/47/855554947.db2.gz UFXLMVISKGZTPV-UHFFFAOYSA-N 0 0 395.434 3.587 10 30 GHEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cn1 ZINC000330282299 862720932 /nfs/dbraw/zinc/72/09/32/862720932.db2.gz ANEIYLICJSKWDW-LSTHTHJFSA-N 0 0 396.491 3.507 10 30 GHEERN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000330319741 862874852 /nfs/dbraw/zinc/87/48/52/862874852.db2.gz DLSGUAMDSCHHTA-CDHAZOANSA-N 0 0 380.872 3.649 10 30 GHEERN N#C[C@@H]1N(C(=O)C[C@@H]2Sc3ccccc3NC2=O)CCC[C@@]12CCCCO2 ZINC000329031272 860961621 /nfs/dbraw/zinc/96/16/21/860961621.db2.gz XEBJVFOSEXFMOL-ZWOKBUDYSA-N 0 0 385.489 3.593 10 30 GHEERN C[C@H](NC(=O)[C@H]1CSCN1C(=O)C1CCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000329197137 861126614 /nfs/dbraw/zinc/12/66/14/861126614.db2.gz WBVIKLIYGCYWRE-YVEFUNNKSA-N 0 0 387.505 3.940 10 30 GHEERN Cc1ccc(N(CCC#N)C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000063496683 883991223 /nfs/dbraw/zinc/99/12/23/883991223.db2.gz BVTPPTUJBAQKJY-UHFFFAOYSA-N 0 0 393.462 3.933 10 30 GHEERN C=CCc1cc(C(=O)N2CCC(Nc3nccs3)CC2)cc(OC)c1OC ZINC000190385598 884073324 /nfs/dbraw/zinc/07/33/24/884073324.db2.gz MUVUHHMWZDFLAH-UHFFFAOYSA-N 0 0 387.505 3.606 10 30 GHEERN CCC(=O)N1CSC[C@H]1C(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000102721629 884368770 /nfs/dbraw/zinc/36/87/70/884368770.db2.gz MMURHOJUAVMLBW-AWEZNQCLSA-N 0 0 377.535 3.529 10 30 GHEERN COc1ccccc1SC[C@H](C)CNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000103421839 884976898 /nfs/dbraw/zinc/97/68/98/884976898.db2.gz UKBWLSIARCFJGT-CVEARBPZSA-N 0 0 384.501 3.879 10 30 GHEERN CNC(=O)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccccc2)S1 ZINC000006179159 220923173 /nfs/dbraw/zinc/92/31/73/220923173.db2.gz UNNSIOSWBACRNB-BWORXHKJSA-N 0 0 387.892 3.608 10 30 GHEERN CCOP(=O)(OCC)O/N=C1/C[C@@H](C)S(=O)(=O)c2ccc(Cl)cc21 ZINC000033380770 520243315 /nfs/dbraw/zinc/24/33/15/520243315.db2.gz QMLIXMCZFLCWKR-JITTUONFSA-N 0 0 395.801 3.808 10 30 GHEERN CC1CCN(S(=O)(=O)c2ccc(/N=C/c3ccc(N(C)C)cc3)cc2)CC1 ZINC000100040177 521029601 /nfs/dbraw/zinc/02/96/01/521029601.db2.gz DOEWTCPOFZEMNO-CJLVFECKSA-N 0 0 385.533 3.924 10 30 GHEERN COc1ccc(-c2nnc(S/C(=N\Nc3cccc(C)c3)C(C)=O)n2C)cc1 ZINC000102421662 523256878 /nfs/dbraw/zinc/25/68/78/523256878.db2.gz PMNDTVGNWQQACT-NMWGTECJSA-N 0 0 395.488 3.906 10 30 GHEERN O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)C1c3ccccc3C2(/C=N/O)c2ccccc21 ZINC000101632884 527110972 /nfs/dbraw/zinc/11/09/72/527110972.db2.gz INDQAPBGHBPJAY-KWSOSUNWSA-N 0 0 394.430 3.697 10 30 GHEERN C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)Cc1ccc(C#N)cc1 ZINC000178907264 834561665 /nfs/dbraw/zinc/56/16/65/834561665.db2.gz FSOJIWARIOHAFW-JLTOFOAXSA-N 0 0 399.288 3.852 10 30 GHEERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccc(OC2CCCC2)nc1 ZINC000329324015 834847631 /nfs/dbraw/zinc/84/76/31/834847631.db2.gz VIIVOPPCBZMESQ-QGZVFWFLSA-N 0 0 386.473 3.626 10 30 GHEERN O=C(NC[C@@H]1CCC[C@@H]1O)NCC1(c2ccc(Br)s2)CCC1 ZINC000329483037 835117469 /nfs/dbraw/zinc/11/74/69/835117469.db2.gz DZLBIIZKDDWDLG-RYUDHWBXSA-N 0 0 387.343 3.597 10 30 GHEERN CCc1nccn1[C@H]1CCCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000246907792 835135622 /nfs/dbraw/zinc/13/56/22/835135622.db2.gz ADLMQOAGXQXRMJ-CABCVRRESA-N 0 0 397.548 3.531 10 30 GHEERN Cc1nc([C@H]2CCCN(C(=O)CNC(=O)Nc3cccc(C)c3)C2)sc1C ZINC000329637234 835488663 /nfs/dbraw/zinc/48/86/63/835488663.db2.gz YOUBJJWOFSMUTM-INIZCTEOSA-N 0 0 386.521 3.800 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N3CC=C(c4ccc(F)cc4)CC3)C2)nn1 ZINC000329661803 835564602 /nfs/dbraw/zinc/56/46/02/835564602.db2.gz IUNPKGSGLDCJNZ-FQEVSTJZSA-N 0 0 395.482 3.596 10 30 GHEERN O=C(N[C@@H]1CCN(c2ccccc2)C1)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000329696155 835718198 /nfs/dbraw/zinc/71/81/98/835718198.db2.gz XUQOBOAGILNNDL-ZSXPUABSSA-N 0 0 391.519 3.850 10 30 GHEERN CS(=O)(=O)Nc1cc(NC(=O)[C@H]2C[C@]23CCOc2ccccc23)ccc1F ZINC000329745116 835856776 /nfs/dbraw/zinc/85/67/76/835856776.db2.gz YEACKPCPTJJVNR-KUHUBIRLSA-N 0 0 390.436 3.526 10 30 GHEERN Cc1ccc(OC2CCN(C(=O)CCCCOc3cccc(C#N)c3)CC2)nc1 ZINC000181192220 837868356 /nfs/dbraw/zinc/86/83/56/837868356.db2.gz YSHBOTQIYHMEBP-UHFFFAOYSA-N 0 0 393.487 3.881 10 30 GHEERN O=C(N[C@@H]1CCc2cc(Br)ccc21)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330092627 839402178 /nfs/dbraw/zinc/40/21/78/839402178.db2.gz YVPAPWKEXALMQT-POZUXBRTSA-N 0 0 393.325 3.977 10 30 GHEERN CC(=O)N[C@H]1CCCN(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)C1 ZINC000330226443 840230368 /nfs/dbraw/zinc/23/03/68/840230368.db2.gz BMLCRKPJVKCHSN-SFHVURJKSA-N 0 0 381.480 3.873 10 30 GHEERN N#Cc1cccnc1N1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1 ZINC000105284393 840607857 /nfs/dbraw/zinc/60/78/57/840607857.db2.gz HHHZAFMWCLKSMQ-UHFFFAOYSA-N 0 0 382.467 3.506 10 30 GHEERN Cc1nc(C)n(C[C@H]2CCCN(c3c(C#N)cnc4c(C)cc(F)cc43)C2)n1 ZINC000301418872 841179917 /nfs/dbraw/zinc/17/99/17/841179917.db2.gz RPWXORWBDJKXGY-INIZCTEOSA-N 0 0 378.455 3.679 10 30 GHEERN C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000329303797 861265616 /nfs/dbraw/zinc/26/56/16/861265616.db2.gz XQHMLPNXJAYFEI-NXHRZFHOSA-N 0 0 397.527 3.607 10 30 GHEERN Cc1ccc(N(C)C2CCN(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)nn1 ZINC000329344753 861308827 /nfs/dbraw/zinc/30/88/27/861308827.db2.gz UIYZRSYUXPGCMH-GBESFXJTSA-N 0 0 385.556 3.959 10 30 GHEERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000588447656 843122215 /nfs/dbraw/zinc/12/22/15/843122215.db2.gz LDWDNOIGOXETCW-LUJNMSEFSA-N 0 0 383.791 3.999 10 30 GHEERN C=CCC[C@@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccccc1 ZINC000154223848 849207639 /nfs/dbraw/zinc/20/76/39/849207639.db2.gz GJLXVPCZKSUZNR-HXUWFJFHSA-N 0 0 377.488 3.758 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H](C)c3ccc(F)cc3Cl)C2)nn1 ZINC000329690238 862090749 /nfs/dbraw/zinc/09/07/49/862090749.db2.gz VZKDSEWOTAUZDE-ZFWWWQNUSA-N 0 0 391.878 3.811 10 30 GHEERN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)C[C@@H]2CCCCNC2=O)c1C ZINC000329833740 862358497 /nfs/dbraw/zinc/35/84/97/862358497.db2.gz LLHVDTZNOMBHNL-DOTOQJQBSA-N 0 0 389.521 3.940 10 30 GHEERN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)cc1 ZINC000330077644 862557296 /nfs/dbraw/zinc/55/72/96/862557296.db2.gz NBPDNMFWYYKWCX-RMVXJAJNSA-N 0 0 383.492 3.931 10 30 GHEERN O=C(C[C@@H]1CCCCC(=O)N1)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000328667028 854497051 /nfs/dbraw/zinc/49/70/51/854497051.db2.gz KQAJKWQXJIVUCP-ZWKOTPCHSA-N 0 0 393.915 3.959 10 30 GHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCNC(=O)[C@@H]1c1ccccc1Cl ZINC000328699813 854514080 /nfs/dbraw/zinc/51/40/80/854514080.db2.gz MKVKFPNAQHXVCN-ZBFHGGJFSA-N 0 0 390.871 3.609 10 30 GHEERN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000328758120 854530068 /nfs/dbraw/zinc/53/00/68/854530068.db2.gz VQEBWUPRVSPSHX-HZPDHXFCSA-N 0 0 378.517 3.657 10 30 GHEERN Cc1ccc(NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c(OCc2ccccc2)c1 ZINC000328916041 854621325 /nfs/dbraw/zinc/62/13/25/854621325.db2.gz AEOPSXZUTMGMIF-SFTDATJTSA-N 0 0 395.503 3.524 10 30 GHEERN O=C(Nc1scnc1C1CC1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000330281884 862721079 /nfs/dbraw/zinc/72/10/79/862721079.db2.gz AEELEMNQQGBCDO-OAHLLOKOSA-N 0 0 399.520 3.715 10 30 GHEERN O=C(NC1CCCCC1)C1=C(NNc2ccccc2)C(=O)N(C2CCCCC2)C1 ZINC000109658445 856647253 /nfs/dbraw/zinc/64/72/53/856647253.db2.gz XBZOTNCMXCGNJC-DFOVGDGWSA-N 0 0 396.535 3.695 10 30 GHEERN N#Cc1ccc(CS(=O)(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)cc1 ZINC000329337581 860340249 /nfs/dbraw/zinc/34/02/49/860340249.db2.gz PWTKIONKNZCKIJ-IBGZPJMESA-N 0 0 382.485 3.814 10 30 GHEERN N#Cc1cc(C(F)(F)F)ccc1N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000125642101 860730572 /nfs/dbraw/zinc/73/05/72/860730572.db2.gz SPUZSNBGANARCL-UHFFFAOYSA-N 0 0 391.397 3.550 10 30 GHEERN Cc1cc2c(cc1C)O[C@H](C(=O)NC[C@H]1CC[C@@H](c3nc(C4CC4)no3)O1)C2 ZINC000329098344 861014609 /nfs/dbraw/zinc/01/46/09/861014609.db2.gz CTCHFCFDQXUCHN-RYRKJORJSA-N 0 0 383.448 3.744 10 30 GHEERN N#CCOc1ccc(/C=C/C(=O)N2CCC(Nc3ccc(F)cc3)CC2)cc1 ZINC000171300484 882096359 /nfs/dbraw/zinc/09/63/59/882096359.db2.gz NHXISQYOSKNUNR-XCVCLJGOSA-N 0 0 379.435 3.844 10 30 GHEERN COc1cc(/C=C/C(=O)N2CCC[C@H](c3nc(C)cs3)C2)ccc1OCC#N ZINC000173069501 882319875 /nfs/dbraw/zinc/31/98/75/882319875.db2.gz SPUNCQUZBRTAQS-JKNJVXJCSA-N 0 0 397.500 3.782 10 30 GHEERN CC(C)(C)OC(=O)NCCCNC(=O)c1ccccc1-c1ccccc1C#N ZINC000103444512 872000437 /nfs/dbraw/zinc/00/04/37/872000437.db2.gz HZLQJQJXIWDHEQ-UHFFFAOYSA-N 0 0 379.460 3.870 10 30 GHEERN N#CCCn1ccc(NC(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000176010642 882656462 /nfs/dbraw/zinc/65/64/62/882656462.db2.gz QJHWZDKHYGKOBB-KRWDZBQOSA-N 0 0 389.463 3.598 10 30 GHEERN CC(=O)c1cc(Br)ccc1OC(=O)[C@H](C)Oc1ccccc1C#N ZINC000102711303 873472046 /nfs/dbraw/zinc/47/20/46/873472046.db2.gz GIYMUTUEUPUVQM-LBPRGKRZSA-N 0 0 388.217 3.896 10 30 GHEERN COc1ccc([C@@H](N[C@H](C)c2ccc(OCC#N)cc2)c2nccn2C)cc1 ZINC000181451942 883180751 /nfs/dbraw/zinc/18/07/51/883180751.db2.gz GJGSXAWUGNUBEV-IIBYNOLFSA-N 0 0 376.460 3.771 10 30 GHEERN CC(=O)N1CC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)c2ccc(F)cc2C1 ZINC000185532985 883551620 /nfs/dbraw/zinc/55/16/20/883551620.db2.gz UKQNQCTWBWNURI-NRFANRHFSA-N 0 0 391.446 3.604 10 30 GHEERN CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000104417662 885423884 /nfs/dbraw/zinc/42/38/84/885423884.db2.gz BCLQFAVWCNGVKK-FQEVSTJZSA-N 0 0 377.444 3.936 10 30 GHEERN CC(C)(C)n1cc(C#N)cc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000194267442 888161859 /nfs/dbraw/zinc/16/18/59/888161859.db2.gz VIZPAZDVHNEFSN-UHFFFAOYSA-N 0 0 396.466 3.745 10 30 GHEERN Cc1ccc([C@@H]2CN(CC(=O)Nc3ccccc3SC[C@H](C)C#N)CCO2)o1 ZINC000246692357 891298390 /nfs/dbraw/zinc/29/83/90/891298390.db2.gz MXVMBYVARAXMOL-BEFAXECRSA-N 0 0 399.516 3.852 10 30 GHEERN COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-n3cccc3)c(F)c2)c1 ZINC000103798491 909248006 /nfs/dbraw/zinc/24/80/06/909248006.db2.gz GGNDCNPABMYWAV-QGZVFWFLSA-N 0 0 377.375 3.586 10 30 GHEERN Cc1ccc(Cn2c3nnc(-c4ccc(C#N)cc4)n3c3ccccc3c2=O)cc1 ZINC000006781179 230851685 /nfs/dbraw/zinc/85/16/85/230851685.db2.gz NWCPYGPONUMBTQ-UHFFFAOYSA-N 0 0 391.434 3.940 10 30 GHEERN Cc1ccc(C(=O)C=C(Nc2ccc(S(N)(=O)=O)cc2)C(F)(F)F)cc1 ZINC000504173176 231295553 /nfs/dbraw/zinc/29/55/53/231295553.db2.gz UZXBSHCYSOVOFX-JWGURIENSA-N 0 0 384.379 3.550 10 30 GHEERN O=[N+]([O-])c1cc(/C=N\c2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1Cl ZINC000005944591 220909985 /nfs/dbraw/zinc/90/99/85/220909985.db2.gz NNXMTVBDOSBNNQ-UNOMPAQXSA-N 0 0 393.852 3.783 10 30 GHEERN COc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1O ZINC000100037114 523456090 /nfs/dbraw/zinc/45/60/90/523456090.db2.gz LRXPWFVVKDKZIB-RCCKNPSSSA-N 0 0 388.489 3.716 10 30 GHEERN O=C(c1ccsc1)N1CCC[C@]2(C1)Nc1cccnc1NC2=NC1CCCC1 ZINC000096309787 526862888 /nfs/dbraw/zinc/86/28/88/526862888.db2.gz PLRVBQBBHDEOSB-OAQYLSRUSA-N 0 0 395.532 3.997 10 30 GHEERN O=C(CO/N=C/c1ccc([N+](=O)[O-])cc1)NC(c1ccccc1)c1ccccc1 ZINC000002652763 526905092 /nfs/dbraw/zinc/90/50/92/526905092.db2.gz AQKHOYCVVHFMMK-HZHRSRAPSA-N 0 0 389.411 3.851 10 30 GHEERN O=C(NCc1ccc(OC2CCCC2)nc1)[C@H]1CSCN1C(=O)C1CCC1 ZINC000329163480 834484199 /nfs/dbraw/zinc/48/41/99/834484199.db2.gz GFLRSOVCQNTPHW-QGZVFWFLSA-N 0 0 389.521 3.561 10 30 GHEERN Cc1ccc([C@@H](C)NC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)c(C)c1 ZINC000329825081 834685516 /nfs/dbraw/zinc/68/55/16/834685516.db2.gz QTQALUJGPNHWIL-QGZVFWFLSA-N 0 0 378.538 3.712 10 30 GHEERN CC(C)N1CC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2CO)[C@H]1c1ccc(F)c(F)c1 ZINC000329271433 834687596 /nfs/dbraw/zinc/68/75/96/834687596.db2.gz IAVIMZZHQZXMCB-GEALJGNFSA-N 0 0 395.494 3.543 10 30 GHEERN Cc1ccc(N2CCC[C@@H](NC(=O)C3(c4ccccc4C)CCOCC3)C2)nn1 ZINC000329582913 835286666 /nfs/dbraw/zinc/28/66/66/835286666.db2.gz LOOSTLXSNZEMCH-LJQANCHMSA-N 0 0 394.519 3.767 10 30 GHEERN C[C@@H](NCc1cccn1Cc1ccccc1C#N)c1cn(-c2ccccc2)nn1 ZINC000188099922 835369822 /nfs/dbraw/zinc/36/98/22/835369822.db2.gz RMLSTCWFUPVCAN-GOSISDBHSA-N 0 0 382.471 3.840 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)NC3(c4ccccc4)CCCC3)C2)nn1 ZINC000329695961 835727057 /nfs/dbraw/zinc/72/70/57/835727057.db2.gz XRMUXZSBEUQLMV-IBGZPJMESA-N 0 0 379.508 3.727 10 30 GHEERN N#Cc1cccc(/C=C/C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)c1 ZINC000181131285 837847943 /nfs/dbraw/zinc/84/79/43/837847943.db2.gz HJFPGQAAUVNIFS-MDZDMXLPSA-N 0 0 382.467 3.596 10 30 GHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000328707746 839049206 /nfs/dbraw/zinc/04/92/06/839049206.db2.gz QDTFHXSOTMTISX-HZPDHXFCSA-N 0 0 394.479 3.564 10 30 GHEERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000330200254 839138411 /nfs/dbraw/zinc/13/84/11/839138411.db2.gz ACGKGXCDMVCPPY-KNCOVGOOSA-N 0 0 380.476 3.913 10 30 GHEERN O=C(NCc1csc(CCc2ccccc2)n1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000330129670 839732474 /nfs/dbraw/zinc/73/24/74/839732474.db2.gz KDGVUDYCNBFUGW-XMSQKQJNSA-N 0 0 399.560 3.969 10 30 GHEERN N#Cc1cccnc1N1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 ZINC000105284749 840608930 /nfs/dbraw/zinc/60/89/30/840608930.db2.gz KRBQVBUAGMOKEM-UHFFFAOYSA-N 0 0 384.439 3.708 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H]1CCN(c3ccc(Cl)cc3)C1)CCC2 ZINC000329248457 861199336 /nfs/dbraw/zinc/19/93/36/861199336.db2.gz WQPYXHCOSVQZNB-DOTOQJQBSA-N 0 0 387.915 3.505 10 30 GHEERN C[C@@H]1CN(Cc2csc(NC(=O)C[C@H]3CCCCC(=O)N3)n2)C[C@H](C)O1 ZINC000329264645 861219522 /nfs/dbraw/zinc/21/95/22/861219522.db2.gz GTXZUPUDTBRRPW-HZSPNIEDSA-N 0 0 380.514 3.630 10 30 GHEERN Cn1cc([C@@H]2CCN(C([O-])=[NH+][C@@H]3C[C@@H]3c3ccccc3C(F)(F)F)C2)cn1 ZINC000329325457 861287993 /nfs/dbraw/zinc/28/79/93/861287993.db2.gz IRYVAALDBGESQE-SRCQZFHVSA-N 0 0 378.398 3.698 10 30 GHEERN C=CCNC(=O)Nc1ccc(NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000588443941 842778843 /nfs/dbraw/zinc/77/88/43/842778843.db2.gz QCSGDUGQIYTTGS-YPKPFQOOSA-N 0 0 380.404 3.944 10 30 GHEERN Cc1ccc(NC(=O)N2CC[C@@H]3CCC[C@H]32)cc1S(=O)(=O)N1CCCCC1 ZINC000330265455 843274809 /nfs/dbraw/zinc/27/48/09/843274809.db2.gz ZHAWTHDMKLFIGY-FUHWJXTLSA-N 0 0 391.537 3.590 10 30 GHEERN CC(=O)N1CCN(C(=O)N[C@H](C)c2ccc(F)c(F)c2)CC12CCCCC2 ZINC000328983093 843294691 /nfs/dbraw/zinc/29/46/91/843294691.db2.gz SHRLZJGXSWADPF-CQSZACIVSA-N 0 0 379.451 3.807 10 30 GHEERN O=C(NC[C@H]1CCCN1c1cccnn1)c1cccc2c3c([nH]c21)CCCC3 ZINC000329613938 861777359 /nfs/dbraw/zinc/77/73/59/861777359.db2.gz RYONNLHQGPDWGF-OAHLLOKOSA-N 0 0 375.476 3.810 10 30 GHEERN COC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000154898923 849396087 /nfs/dbraw/zinc/39/60/87/849396087.db2.gz BUBYJVXNPWCEBF-MOPGFXCFSA-N 0 0 394.496 3.721 10 30 GHEERN Cc1cc(Br)cc(C)c1N1CCC[C@H](N[C@@H]2CCC[C@@H]2C#N)C1=O ZINC000333669585 849946950 /nfs/dbraw/zinc/94/69/50/849946950.db2.gz XYBUMOSVDDMRQX-OIISXLGYSA-N 0 0 390.325 3.843 10 30 GHEERN C[C@@H]1CC(C[NH+]=C([O-])N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)C[C@@H](C)O1 ZINC000329816026 862341423 /nfs/dbraw/zinc/34/14/23/862341423.db2.gz VPHDHTYJHQCCOD-NFAWXSAZSA-N 0 0 388.434 3.656 10 30 GHEERN CC1(C)C[C@H](NC(=O)CSCC(=O)N2CCCCC2)c2ccccc2O1 ZINC000329958809 862456120 /nfs/dbraw/zinc/45/61/20/862456120.db2.gz MUWMBUOLKDGDGX-INIZCTEOSA-N 0 0 376.522 3.991 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H](C)c1ccc3c(c1)CCC(=O)N3)CCC2 ZINC000328658005 854492453 /nfs/dbraw/zinc/49/24/53/854492453.db2.gz QFYPOHTVHYYXPC-YOEHRIQHSA-N 0 0 381.480 3.868 10 30 GHEERN C[C@@H](C(=O)NC1CCC(C)CC1)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000328676859 854505780 /nfs/dbraw/zinc/50/57/80/854505780.db2.gz LQOUNKHYQVAQKN-IFRGJPTFSA-N 0 0 380.492 3.905 10 30 GHEERN Cc1nc(NC(=O)[C@H](C)N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)sc1C ZINC000328679895 854507091 /nfs/dbraw/zinc/50/70/91/854507091.db2.gz NIWGYEUUPHWJSE-HKMRUAMVSA-N 0 0 395.488 3.731 10 30 GHEERN C[C@@H](NC(=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1)C1CCOCC1 ZINC000328702052 854514681 /nfs/dbraw/zinc/51/46/81/854514681.db2.gz JMDLCQMFHYEWGL-WNYOCNMUSA-N 0 0 387.455 3.861 10 30 GHEERN C[C@@H]1CC(CNC(=O)N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)C[C@@H](C)O1 ZINC000328743367 854524402 /nfs/dbraw/zinc/52/44/02/854524402.db2.gz OKOFNZULKPJTGF-FMKPAKJESA-N 0 0 395.569 3.932 10 30 GHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000328749177 854527179 /nfs/dbraw/zinc/52/71/79/854527179.db2.gz PXKGXVYAABLVHM-MRXNPFEDSA-N 0 0 394.878 3.557 10 30 GHEERN CC(C)c1nc([C@@H]2CCCN(C(=O)[C@H](C)NC(=O)C3CCCCC3)C2)no1 ZINC000328855256 854579189 /nfs/dbraw/zinc/57/91/89/854579189.db2.gz WXEWCVOKZQFBQI-GOEBONIOSA-N 0 0 376.501 3.824 10 30 GHEERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H](C)C2(c3ccccc3)CCCC2)C1 ZINC000330177289 862637541 /nfs/dbraw/zinc/63/75/41/862637541.db2.gz KQELPHWFYRYUQW-ZYSHUDEJSA-N 0 0 398.507 3.954 10 30 GHEERN O=C(N[C@H]1CCOc2ccccc21)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000329010022 860945859 /nfs/dbraw/zinc/94/58/59/860945859.db2.gz HVCIMROXYWMUEG-DLBZAZTESA-N 0 0 394.427 3.500 10 30 GHEERN Cc1ccc(Oc2ccccc2)c(NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c1 ZINC000329050897 860979318 /nfs/dbraw/zinc/97/93/18/860979318.db2.gz WHXMKGDSBYMOLB-PZJWPPBQSA-N 0 0 381.476 3.738 10 30 GHEERN Cc1cc2c(cc1C)O[C@@H](C(=O)NC[C@H]1CC[C@@H](c3nc(C4CC4)no3)O1)C2 ZINC000329098345 861013877 /nfs/dbraw/zinc/01/38/77/861013877.db2.gz CTCHFCFDQXUCHN-SOLBZPMBSA-N 0 0 383.448 3.744 10 30 GHEERN N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000106635241 870620410 /nfs/dbraw/zinc/62/04/10/870620410.db2.gz XTFPSDHSMSOSEM-KRWDZBQOSA-N 0 0 379.435 3.800 10 30 GHEERN COc1cccc(N2CC[C@H](CNC(=O)c3cccc(SCC#N)c3)C2)c1 ZINC000176039193 882661928 /nfs/dbraw/zinc/66/19/28/882661928.db2.gz DWOCTPDVIIIMTC-MRXNPFEDSA-N 0 0 381.501 3.567 10 30 GHEERN CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1 ZINC000178760562 882918044 /nfs/dbraw/zinc/91/80/44/882918044.db2.gz DVKHSFBHMYVECE-LLVKDONJSA-N 0 0 376.382 3.973 10 30 GHEERN N#CCC[C@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccccc1 ZINC000178622957 882926964 /nfs/dbraw/zinc/92/69/64/882926964.db2.gz ARLDZAYESUDCFW-SFHVURJKSA-N 0 0 381.501 3.762 10 30 GHEERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)CCc3c(C)nn(CCC#N)c3C)C2)cc1 ZINC000121948762 878062207 /nfs/dbraw/zinc/06/22/07/878062207.db2.gz FMOVWLUKMACNNU-UZLBHIALSA-N 0 0 394.519 3.759 10 30 GHEERN N#Cc1ccccc1OCc1cccc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1 ZINC000181369130 906984343 /nfs/dbraw/zinc/98/43/43/906984343.db2.gz CRHLQZBJAGODGB-LJQANCHMSA-N 0 0 387.443 3.623 10 30 GHEERN CCCCCCCCCCCCCC[C@H]1O[C@H](O)[C@@H](OS(C)(=O)=O)[C@@H]1O ZINC000077319736 222278401 /nfs/dbraw/zinc/27/84/01/222278401.db2.gz XRKBCCLMUHSBSP-YRXWBPOGSA-N 0 0 394.574 3.501 10 30 in-vitro GHEERN COc1cccc(/C=N/c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1O ZINC000100040207 525775953 /nfs/dbraw/zinc/77/59/53/525775953.db2.gz CPTBYGMHGNFQMT-KGENOOAVSA-N 0 0 388.489 3.572 10 30 GHEERN O=C1c2ccccc2C(=O)N1C[C@H]1CS/C(=N\C23CC4CC(CC(C4)C2)C3)O1 ZINC000100437369 527131471 /nfs/dbraw/zinc/13/14/71/527131471.db2.gz OERPEHRFLRRHLJ-NGOWBSNJSA-N 0 0 396.512 3.739 10 30 GHEERN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N=NC1C[C@H]2CC=C[C@@H]12 ZINC000038387134 527339831 /nfs/dbraw/zinc/33/98/31/527339831.db2.gz KLANTZAZLUKKIA-QGMLAMFLSA-N 0 0 398.444 3.760 10 30 GHEERN C=CCc1cccc(C=NNc2nnc(SCc3ccccc3OC)[nH]2)c1O ZINC000006249079 570473941 /nfs/dbraw/zinc/47/39/41/570473941.db2.gz NCMFYUQBNSBSHY-CIAFOILYSA-N 0 0 395.488 3.986 10 30 GHEERN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@H]3CCc4ccccc43)CC2)cc1 ZINC000329191072 834517438 /nfs/dbraw/zinc/51/74/38/834517438.db2.gz RIBZSHJABHUFQN-NRFANRHFSA-N 0 0 398.528 3.835 10 30 GHEERN COc1ccc(CCC(C)=NOCC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000588600117 834546886 /nfs/dbraw/zinc/54/68/86/834546886.db2.gz QWYWDOCJHJCCCC-MRXNPFEDSA-N 0 0 386.414 3.821 10 30 GHEERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CCc3[nH]c4ccccc4c3C1)C2 ZINC000329300287 834795203 /nfs/dbraw/zinc/79/52/03/834795203.db2.gz VILIJMSNAMBEFN-OAHLLOKOSA-N 0 0 391.519 3.949 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)NCc1csc(Br)c1)CCC2 ZINC000328649188 836545005 /nfs/dbraw/zinc/54/50/05/836545005.db2.gz IOEQMJGHIDZIIE-LBPRGKRZSA-N 0 0 383.315 3.597 10 30 GHEERN C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(C#N)cc1 ZINC000175783171 838255783 /nfs/dbraw/zinc/25/57/83/838255783.db2.gz LAFVQDURRPDBTF-OAHLLOKOSA-N 0 0 380.419 3.854 10 30 GHEERN O=C(NCc1ccnc(N2CCCCC2)c1)N1CCC(c2nccs2)CC1 ZINC000328707124 838863072 /nfs/dbraw/zinc/86/30/72/838863072.db2.gz AOPBPHGUUVEWNI-UHFFFAOYSA-N 0 0 385.537 3.822 10 30 GHEERN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)NC1CC(c3cccc(Cl)c3)C1)CC2 ZINC000330068850 839148604 /nfs/dbraw/zinc/14/86/04/839148604.db2.gz GRHOPOFEYQTOHD-JDGDGYACSA-N 0 0 392.927 3.752 10 30 GHEERN O=C(N[C@@H]1CCc2cc(Br)ccc21)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000330092626 839401569 /nfs/dbraw/zinc/40/15/69/839401569.db2.gz YVPAPWKEXALMQT-LSBZLQRGSA-N 0 0 393.325 3.977 10 30 GHEERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329264038 861219211 /nfs/dbraw/zinc/21/92/11/861219211.db2.gz GOIJONWSTRIVEK-GGPKGHCWSA-N 0 0 386.492 3.617 10 30 GHEERN Cn1cc([C@@H]2CCN(C([O-])=[NH+][C@@H]3C[C@H]3c3ccccc3C(F)(F)F)C2)cn1 ZINC000329325456 861288565 /nfs/dbraw/zinc/28/85/65/861288565.db2.gz IRYVAALDBGESQE-ISTRZQFTSA-N 0 0 378.398 3.698 10 30 GHEERN C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O)C12CC3CC(CC(C3)C1)C2 ZINC000328984721 843300183 /nfs/dbraw/zinc/30/01/83/843300183.db2.gz SYVPPQIADUEDAJ-DTVGYBFISA-N 0 0 390.568 3.757 10 30 GHEERN CO[C@@H](C)c1nc(C)c(C(=O)N[C@H]2CCO[C@@H]2c2ccnn2C(C)C)s1 ZINC000329020950 845518035 /nfs/dbraw/zinc/51/80/35/845518035.db2.gz HVAKPVCECKQCME-YDHLFZDLSA-N 0 0 378.498 3.771 10 30 GHEERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)C1 ZINC000329672818 862003195 /nfs/dbraw/zinc/00/31/95/862003195.db2.gz SOWIQLLLOKIJSQ-SJLPKXTDSA-N 0 0 389.887 3.518 10 30 GHEERN Cc1cc(Br)cc(C)c1N1CCC[C@H](N[C@H]2CCC[C@@H]2C#N)C1=O ZINC000333669591 849947721 /nfs/dbraw/zinc/94/77/21/849947721.db2.gz XYBUMOSVDDMRQX-PVAVHDDUSA-N 0 0 390.325 3.843 10 30 GHEERN CCO[C@@H]1C[C@@H](N(C)C(=O)NC2CCN(c3nccs3)CC2)C12CCCC2 ZINC000329796061 862327822 /nfs/dbraw/zinc/32/78/22/862327822.db2.gz DJYADHQCTQBITG-IAGOWNOFSA-N 0 0 392.569 3.696 10 30 GHEERN O=C(Cc1cc(Cl)c2c(c1)OCCO2)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328660238 854493078 /nfs/dbraw/zinc/49/30/78/854493078.db2.gz VAGNVTZRVVIXRR-QFBILLFUSA-N 0 0 388.851 3.926 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CCc3[nH]nc(C(F)(F)F)c3C1)CCC2 ZINC000328718546 854502035 /nfs/dbraw/zinc/50/20/35/854502035.db2.gz PWFIHMCFAYHMQO-RYUDHWBXSA-N 0 0 381.402 3.572 10 30 GHEERN C[C@@H](C(=O)NC1CCC(C)CC1)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000328676858 854505456 /nfs/dbraw/zinc/50/54/56/854505456.db2.gz LQOUNKHYQVAQKN-FIWAQHLQSA-N 0 0 380.492 3.905 10 30 GHEERN Cc1csc([C@@H]2CN(C(=O)N[C@@H]3CCCc4cc(F)ccc43)CCO2)n1 ZINC000328678554 854506228 /nfs/dbraw/zinc/50/62/28/854506228.db2.gz BFDOTSXUPUHBOP-SJORKVTESA-N 0 0 375.469 3.956 10 30 GHEERN C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000328694682 854512053 /nfs/dbraw/zinc/51/20/53/854512053.db2.gz SQWSXGJRZGIICI-VVBPWWLESA-N 0 0 391.475 3.553 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CC[C@H](C)c4ccccc43)C2)nn1 ZINC000328714306 854519386 /nfs/dbraw/zinc/51/93/86/854519386.db2.gz OBQXMSBESCWDMM-RIFZZMRRSA-N 0 0 379.508 3.896 10 30 GHEERN N#Cc1cccc(/C=C/C(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000056303958 855514594 /nfs/dbraw/zinc/51/45/94/855514594.db2.gz KSHFRBZAMALSPX-CMDGGOBGSA-N 0 0 393.874 3.600 10 30 GHEERN Cc1cccc(N2CCC(NC(=O)CCCCOc3cccc(C#N)c3)CC2)n1 ZINC000116668540 859090199 /nfs/dbraw/zinc/09/01/99/859090199.db2.gz AHAYYFOSXXTVCD-UHFFFAOYSA-N 0 0 392.503 3.596 10 30 GHEERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCc2c1cccc2Br ZINC000329048810 860977043 /nfs/dbraw/zinc/97/70/43/860977043.db2.gz VVUAONQIYWKETJ-VNQPRFMTSA-N 0 0 390.281 3.904 10 30 GHEERN Cc1cc2c(cc1C)[C@@H](C(=O)NC[C@H]1CC[C@@H](c3nc(C4CC4)no3)O1)CO2 ZINC000329126731 861043540 /nfs/dbraw/zinc/04/35/40/861043540.db2.gz UKQPSMDGDUNRFN-PVAVHDDUSA-N 0 0 383.448 3.917 10 30 GHEERN Cc1nc([C@H]2CCCOC2)sc1C(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000329161070 861089418 /nfs/dbraw/zinc/08/94/18/861089418.db2.gz FBULFXKHUYQFGT-YESZJQIVSA-N 0 0 387.505 3.965 10 30 GHEERN C[C@H](NC(=O)[C@@H]1CSCN1C(=O)C1CCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000329197133 861126575 /nfs/dbraw/zinc/12/65/75/861126575.db2.gz WBVIKLIYGCYWRE-SJCJKPOMSA-N 0 0 387.505 3.940 10 30 GHEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1cc(Br)ccc1O ZINC000186007812 863697836 /nfs/dbraw/zinc/69/78/36/863697836.db2.gz NERRQOAGFNGYAU-LLVKDONJSA-N 0 0 384.237 3.780 10 30 GHEERN COc1cc(/C=C/C(=O)N[C@@H](c2ccccc2)c2cccnc2)ccc1OCC#N ZINC000171230444 882090343 /nfs/dbraw/zinc/09/03/43/882090343.db2.gz LGBTUYLDHMLPCX-YKATVRGKSA-N 0 0 399.450 3.912 10 30 GHEERN C#Cc1cccc(N(Cc2ccncc2)C(=O)[C@H]2CC(=O)Nc3ccccc32)c1 ZINC000171633426 882120303 /nfs/dbraw/zinc/12/03/03/882120303.db2.gz MJEXTLCBRVHDQV-NRFANRHFSA-N 0 0 381.435 3.722 10 30 GHEERN CCC(CC)CN(CCC#N)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000171567734 882140816 /nfs/dbraw/zinc/14/08/16/882140816.db2.gz IURZBPXQLUAPHH-UHFFFAOYSA-N 0 0 387.499 3.856 10 30 GHEERN COc1ccc([C@H]2C[C@H](C)N(C(=O)NCc3ccc(OCC#N)cc3)C2)cc1 ZINC000172373469 882280486 /nfs/dbraw/zinc/28/04/86/882280486.db2.gz KFCXLIAHDCRISW-LPHOPBHVSA-N 0 0 379.460 3.685 10 30 GHEERN C=CCc1cc(CN2CCCN(C(=O)c3cccs3)CC2)cc(OC)c1O ZINC000093385775 882524189 /nfs/dbraw/zinc/52/41/89/882524189.db2.gz YCUKKVYXULRIOD-UHFFFAOYSA-N 0 0 386.517 3.539 10 30 GHEERN N#CCOc1ccc(/C=C/C(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000115221051 873064528 /nfs/dbraw/zinc/06/45/28/873064528.db2.gz VAOAYFFWCBNONP-XCVCLJGOSA-N 0 0 380.419 3.811 10 30 GHEERN N#CCC[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccccc1 ZINC000178622941 882926550 /nfs/dbraw/zinc/92/65/50/882926550.db2.gz ARLDZAYESUDCFW-GOSISDBHSA-N 0 0 381.501 3.762 10 30 GHEERN CC(C)(C#N)c1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000120703304 876242817 /nfs/dbraw/zinc/24/28/17/876242817.db2.gz DLMCLHRBNFIFKH-FQEVSTJZSA-N 0 0 390.487 3.800 10 30 GHEERN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000181576093 883164086 /nfs/dbraw/zinc/16/40/86/883164086.db2.gz NHVMHUSCWBIZOV-VQTJNVASSA-N 0 0 388.467 3.661 10 30 GHEERN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186688666 883687840 /nfs/dbraw/zinc/68/78/40/883687840.db2.gz WXWOMGJJLRXIOT-UHFFFAOYSA-N 0 0 380.448 3.893 10 30 GHEERN C#CCOc1ccc([C@@H](C)N[C@@H](c2nccn2C)c2ccc(OC)cc2)cc1 ZINC000129075503 887256359 /nfs/dbraw/zinc/25/63/59/887256359.db2.gz XDZGEOALKHCPTA-VGOFRKELSA-N 0 0 375.472 3.881 10 30 GHEERN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]2C[C@@H](O)c2ccco2)c1C ZINC000246565806 891286890 /nfs/dbraw/zinc/28/68/90/891286890.db2.gz KWZOYPGXXBPCRK-PZJWPPBQSA-N 0 0 395.503 3.731 10 30 GHEERN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000095086150 222330505 /nfs/dbraw/zinc/33/05/05/222330505.db2.gz IYTQDWVPNPTOJC-IBGZPJMESA-N 0 0 383.492 3.839 10 30 GHEERN C=C1C(=O)C[C@H]2C[C@@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)C[C@H](OC(C)=O)[C@H]1C2(C)C ZINC000100031113 518657782 /nfs/dbraw/zinc/65/77/82/518657782.db2.gz HNPAHGHFONBTLV-MKVFIBOYSA-N 0 0 376.493 3.595 10 30 GHEERN CCN(CC)C(=O)COc1ccc(C(C)N=Nc2ccccc2[N+](=O)[O-])cc1 ZINC000005851128 520489291 /nfs/dbraw/zinc/48/92/91/520489291.db2.gz YDLDYIMITZCDMM-RCCKNPSSSA-N 0 0 384.436 3.678 10 30 GHEERN COc1ccc(C=NNc2nnc(SCc3ccc(F)cc3)[nH]2)cc1OC ZINC000006246945 570473962 /nfs/dbraw/zinc/47/39/62/570473962.db2.gz WOQIIIKKUPKENL-KEBDBYFISA-N 0 0 387.440 3.699 10 30 GHEERN CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C1=O)C31CC1 ZINC000016667770 570930220 /nfs/dbraw/zinc/93/02/20/570930220.db2.gz SGPVVBWVNFGGGK-CVNHAVSMSA-N 0 0 386.451 3.770 10 30 GHEERN C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O)c1ccc(Cl)c(Cl)c1 ZINC000329230564 834593889 /nfs/dbraw/zinc/59/38/89/834593889.db2.gz KCBRNUNZUICUKB-XYZKALLWSA-N 0 0 387.307 3.830 10 30 GHEERN COc1ccc(F)cc1-c1csc(NC(=O)[C@@H]2OC[C@H]3COCC[C@H]32)n1 ZINC000329544465 835215648 /nfs/dbraw/zinc/21/56/48/835215648.db2.gz YTPQUFZVOIRYCP-NSODJVPESA-N 0 0 378.425 3.597 10 30 GHEERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000329880119 835247076 /nfs/dbraw/zinc/24/70/76/835247076.db2.gz NDUADHCORXXDQT-UGFHNGPFSA-N 0 0 380.286 3.692 10 30 GHEERN Cc1ccc(CN(C(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)C(C)C)s1 ZINC000329627684 835453852 /nfs/dbraw/zinc/45/38/52/835453852.db2.gz VQGJZEJXKNGAMH-KRWDZBQOSA-N 0 0 387.553 3.948 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCc4c3cccc4Cl)C2)nn1 ZINC000329700509 835728620 /nfs/dbraw/zinc/72/86/20/835728620.db2.gz ZVIUHABYCNNUIF-KBXCAEBGSA-N 0 0 385.899 3.598 10 30 GHEERN N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(n3cncn3)CC2)cc1 ZINC000175486552 836562319 /nfs/dbraw/zinc/56/23/19/836562319.db2.gz JZSQNGPPTGPRIH-UHFFFAOYSA-N 0 0 389.484 3.778 10 30 GHEERN N#Cc1ccc(OCc2cccc(C(=O)N3CCCC[C@@H]3c3nc[nH]n3)c2)cc1 ZINC000181362764 838000788 /nfs/dbraw/zinc/00/07/88/838000788.db2.gz SLWUGAXVPBCPRV-HXUWFJFHSA-N 0 0 387.443 3.623 10 30 GHEERN Cc1csc(-c2cccc(NC(=O)NC3CCN(C(=O)C4CC4)CC3)c2)n1 ZINC000328725905 839507040 /nfs/dbraw/zinc/50/70/40/839507040.db2.gz ZIXAXINAUIRRHE-UHFFFAOYSA-N 0 0 384.505 3.845 10 30 GHEERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCC(N2CCCCC2=O)CC1 ZINC000330106999 839521659 /nfs/dbraw/zinc/52/16/59/839521659.db2.gz LPEJZMBRVDKJRM-HOCLYGCPSA-N 0 0 389.462 3.746 10 30 GHEERN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N1CC[C@H]2CCC[C@H]21 ZINC000330240010 841351660 /nfs/dbraw/zinc/35/16/60/841351660.db2.gz BGNNQRHQZPWAGM-VQIMIIECSA-N 0 0 391.537 3.590 10 30 GHEERN C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)c1ccc(-c2cccnc2)cc1 ZINC000329335639 861297004 /nfs/dbraw/zinc/29/70/04/861297004.db2.gz ORRXDKXEZBESIU-ZIPUMODLSA-N 0 0 395.503 3.585 10 30 GHEERN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)N[C@@H]1CCCNC1=O ZINC000330360696 842306833 /nfs/dbraw/zinc/30/68/33/842306833.db2.gz XLUJGMLQFWSBTR-UONOGXRCSA-N 0 0 381.860 3.733 10 30 GHEERN C[C@H](NC(=O)N[C@@H]1CCOC2(CCOCC2)C1)c1ccccc1Br ZINC000330273811 843383650 /nfs/dbraw/zinc/38/36/50/843383650.db2.gz ZSYKCVDCPOUYSY-UONOGXRCSA-N 0 0 397.313 3.742 10 30 GHEERN Cc1cc(F)c(NC(=O)N[C@@H]2CCC[C@H]2C#N)c(I)c1 ZINC000408237044 843502726 /nfs/dbraw/zinc/50/27/26/843502726.db2.gz RSPZNYAUQTXUIT-JOYOIKCWSA-N 0 0 387.196 3.553 10 30 GHEERN Cc1cc(F)c(NC(=O)N[C@H]2CCC[C@@H]2C#N)c(I)c1 ZINC000408237045 843503307 /nfs/dbraw/zinc/50/33/07/843503307.db2.gz RSPZNYAUQTXUIT-SKDRFNHKSA-N 0 0 387.196 3.553 10 30 GHEERN CN1C(=O)CO[C@H](C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)[C@H]1c1ccccc1 ZINC000329496649 861539974 /nfs/dbraw/zinc/53/99/74/861539974.db2.gz GDOYELRGBDHGDJ-UIFIKXQLSA-N 0 0 394.471 3.844 10 30 GHEERN CCN1C(=O)CC[C@H](C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)[C@H]1c1cnn(C)c1 ZINC000329522575 861587817 /nfs/dbraw/zinc/58/78/17/861587817.db2.gz REXNFCLQYPNNFB-MCNSAMFCSA-N 0 0 386.540 3.893 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N(C)Cc3c(F)cccc3Cl)C2)nn1 ZINC000329564568 861670696 /nfs/dbraw/zinc/67/06/96/861670696.db2.gz GZWQFYHQJHBKID-AWEZNQCLSA-N 0 0 391.878 3.592 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)Nc3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000329634555 861854595 /nfs/dbraw/zinc/85/45/95/861854595.db2.gz XOKWRAJDJUHJDT-ZDUSSCGKSA-N 0 0 380.279 3.896 10 30 GHEERN C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)C1(C#N)CCCC1 ZINC000154245589 849228251 /nfs/dbraw/zinc/22/82/51/849228251.db2.gz RITCSNHMUZXNGV-BBRMVZONSA-N 0 0 377.282 3.821 10 30 GHEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O ZINC000329716505 862210627 /nfs/dbraw/zinc/21/06/27/862210627.db2.gz WNOXJGXQZBQKCN-LJPSYKQGSA-N 0 0 379.545 3.840 10 30 GHEERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H](NC(=O)c3ccccn3)C(C)C)C2)n1 ZINC000329785141 862321360 /nfs/dbraw/zinc/32/13/60/862321360.db2.gz WTBIHUKTBYJVCH-WBVHZDCISA-N 0 0 386.521 3.582 10 30 GHEERN Cc1ccc([C@@H]2OCCC[C@H]2C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)cc1 ZINC000329892842 862401549 /nfs/dbraw/zinc/40/15/49/862401549.db2.gz AGSJETWOLXLZSX-HUUJSLGLSA-N 0 0 398.482 3.826 10 30 GHEERN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)N2C[C@@H]3CCC[C@@H]32)c1 ZINC000329941678 862441824 /nfs/dbraw/zinc/44/18/24/862441824.db2.gz VEKMSMWDPDNTKZ-KXBFYZLASA-N 0 0 385.489 3.542 10 30 GHEERN C[C@H](C(=O)NCC1CCCCC1)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000328664844 854495783 /nfs/dbraw/zinc/49/57/83/854495783.db2.gz BXMYUOFDZMQSOA-ZWWNWMABSA-N 0 0 380.492 3.907 10 30 GHEERN O=C(NC1CCC(C(F)(F)F)CC1)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000328598290 854500576 /nfs/dbraw/zinc/50/05/76/854500576.db2.gz BBUIOEWLKHJMJB-XUJLQICISA-N 0 0 389.462 3.935 10 30 GHEERN CC(C)[C@@H]1C[C@H](NC(=O)N2CCOC[C@@H]2c2nc3ccccc3s2)CCO1 ZINC000328707540 854517360 /nfs/dbraw/zinc/51/73/60/854517360.db2.gz LUYUJTDPBNTBTK-OIISXLGYSA-N 0 0 389.521 3.787 10 30 GHEERN O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CC[C@@H](Oc2ccccn2)C1 ZINC000330101016 862575589 /nfs/dbraw/zinc/57/55/89/862575589.db2.gz HXHYVOLANPVBBZ-GYVBGXKYSA-N 0 0 397.519 3.624 10 30 GHEERN CC1(C)C[C@H](NC(=O)N[C@H]2CCC(=O)NC23CCC3)c2ccc(F)cc2O1 ZINC000328733919 854541627 /nfs/dbraw/zinc/54/16/27/854541627.db2.gz ICUVEZZCTLLVOS-HOCLYGCPSA-N 0 0 375.444 3.973 10 30 GHEERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000328957800 854632577 /nfs/dbraw/zinc/63/25/77/854632577.db2.gz JMEGHSPKZISCBI-QQTQMKHKSA-N 0 0 393.553 3.943 10 30 GHEERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000330251275 862695964 /nfs/dbraw/zinc/69/59/64/862695964.db2.gz HNWASUGHAKATQV-OMQSBVIBSA-N 0 0 390.549 3.524 10 30 GHEERN CCO[C@@H]1C[C@@H](NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)C12CCCCC2 ZINC000330269400 862707017 /nfs/dbraw/zinc/70/70/17/862707017.db2.gz JGAGHGWRMDHEJD-AITUJVMLSA-N 0 0 375.513 3.891 10 30 GHEERN CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000116970117 859244897 /nfs/dbraw/zinc/24/48/97/859244897.db2.gz CTZCCXDJTMHOGL-UHFFFAOYSA-N 0 0 391.519 3.852 10 30 GHEERN C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329060439 860983391 /nfs/dbraw/zinc/98/33/91/860983391.db2.gz UQLSCTCEZXZJMT-FRFSOERESA-N 0 0 382.464 3.605 10 30 GHEERN CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@H]1CCOc2ccc(Cl)cc21 ZINC000329162200 861089739 /nfs/dbraw/zinc/08/97/39/861089739.db2.gz FSHCWZDSMSMFKK-QRTARXTBSA-N 0 0 375.856 3.909 10 30 GHEERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3cccc(SCC#N)c3)cc2)n1 ZINC000175692855 882573871 /nfs/dbraw/zinc/57/38/71/882573871.db2.gz PMNILOIQCGKHOU-UHFFFAOYSA-N 0 0 376.441 3.613 10 30 GHEERN N#CCC[C@H](NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)c1ccccc1 ZINC000178798230 882921728 /nfs/dbraw/zinc/92/17/28/882921728.db2.gz IIDNDRABOODQNR-MOPGFXCFSA-N 0 0 388.475 3.663 10 30 GHEERN CC[C@@]1(c2ccc(N[C@H](C)c3ccc(OCC#N)cc3)cc2)CCC(=O)NC1=O ZINC000182748603 883235121 /nfs/dbraw/zinc/23/51/21/883235121.db2.gz XLPXEDZHVQRVDR-MWTRTKDXSA-N 0 0 391.471 3.846 10 30 GHEERN Cn1nccc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000102798769 884459086 /nfs/dbraw/zinc/45/90/86/884459086.db2.gz NNZCRLXYJJHOSR-UHFFFAOYSA-N 0 0 395.850 3.846 10 30 GHEERN N#CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000102915211 885980311 /nfs/dbraw/zinc/98/03/11/885980311.db2.gz OSHRLOMRPFDVCI-CEQQRPIWSA-N 0 0 376.412 3.695 10 30 GHEERN Cc1cc([C@@H]2CN(C(=O)/C=C/c3ccc(OCC#N)cc3)CCO2)ccc1F ZINC000134783616 887911258 /nfs/dbraw/zinc/91/12/58/887911258.db2.gz RVAMTTQIKXWWAJ-ZSIUJALASA-N 0 0 380.419 3.650 10 30 GHEERN CCOC(=O)c1cc(C(=O)c2ccc(Br)cc2)n2ccc(C#N)cc12 ZINC000048522999 903731822 /nfs/dbraw/zinc/73/18/22/903731822.db2.gz ATYRHHHXOBQQLO-UHFFFAOYSA-N 0 0 397.228 3.981 10 30 GHEERN COc1cc(/C=C/C(=O)N2C[C@H](C)C[C@H]2c2cccnc2)ccc1OCC#N ZINC000182257210 1014568574 /nfs/dbraw/zinc/56/85/74/1014568574.db2.gz DXBHNNYNYUGTAG-ZEWDCPDSSA-N 0 0 377.444 3.615 10 30 GHEERN N#Cc1cccc(CN2CCOC[C@H](Oc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000096296474 291134144 /nfs/dbraw/zinc/13/41/44/291134144.db2.gz UAAZFCFPJXSWLY-LJQANCHMSA-N 0 0 376.378 3.857 10 30 GHEERN CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\N=C1/NC(=O)/C(=C3/c4ccccc4NC3=O)S1)C2 ZINC000014084008 221298906 /nfs/dbraw/zinc/29/89/06/221298906.db2.gz OAVDCIKHNKFDAA-ASBWMYSESA-N 0 0 394.500 3.771 10 30 GHEERN N#Cc1cc2n[nH]c(Br)c2c(Br)c1Br ZINC000014986144 221324540 /nfs/dbraw/zinc/32/45/40/221324540.db2.gz UNPNXDZKEGMSIE-UHFFFAOYSA-N 0 0 379.837 3.722 10 30 GHEERN O=S(=O)(N/N=C1\C[C@@H](c2ccccc2)Oc2ccccc21)c1ccccc1 ZINC000017859152 221385425 /nfs/dbraw/zinc/38/54/25/221385425.db2.gz VBUXUIBABREPPX-PGVNHDJNSA-N 0 0 378.453 3.893 10 30 GHEERN CCCCCCCCCCCCCC[C@H]1O[C@@H](O)[C@@H](OS(C)(=O)=O)[C@@H]1O ZINC000077319733 222278002 /nfs/dbraw/zinc/27/80/02/222278002.db2.gz XRKBCCLMUHSBSP-AKHDSKFASA-N 0 0 394.574 3.501 10 30 in-vitro GHEERN C=CCNC(=O)c1cnc(-c2ccccc2)nc1Nc1ccc(OC)c(OC)c1 ZINC000034921995 518944733 /nfs/dbraw/zinc/94/47/33/518944733.db2.gz CRDXVCWLYCKIAV-UHFFFAOYSA-N 0 0 390.443 3.820 10 30 GHEERN O=C(NN1C(=O)CS/C1=N\c1ccccc1)c1cc2c(cccc2Cl)[nH]1 ZINC000100392311 526841359 /nfs/dbraw/zinc/84/13/59/526841359.db2.gz CABKKYYRDMTOBY-ZZEZOPTASA-N 0 0 384.848 3.729 10 30 GHEERN Cc1cc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cnc1N1CCCC[C@H]1C ZINC000329259922 834661689 /nfs/dbraw/zinc/66/16/89/834661689.db2.gz ALSYHBVZVDRCKL-JBYIUTFZSA-N 0 0 386.540 3.941 10 30 GHEERN Cc1ccc([C@H](C)NC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)c(C)c1 ZINC000329825080 834684234 /nfs/dbraw/zinc/68/42/34/834684234.db2.gz QTQALUJGPNHWIL-KRWDZBQOSA-N 0 0 378.538 3.712 10 30 GHEERN Cn1ccc(N2CCC[C@@H](NC(=O)c3cccc(OC4CCCCC4)c3)C2=O)n1 ZINC000329612842 835382549 /nfs/dbraw/zinc/38/25/49/835382549.db2.gz DTOHRINVLLCRTM-LJQANCHMSA-N 0 0 396.491 3.632 10 30 GHEERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000329687151 835686034 /nfs/dbraw/zinc/68/60/34/835686034.db2.gz VBCPHRZPZDNPPR-DLBZAZTESA-N 0 0 398.555 3.505 10 30 GHEERN COc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000329690853 835698557 /nfs/dbraw/zinc/69/85/57/835698557.db2.gz GOXVTNHPWKJHJX-SFHVURJKSA-N 0 0 380.444 3.860 10 30 GHEERN CN1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3C[C@@H]3C3CCCCC3)cc2)CC1 ZINC000329739051 835833558 /nfs/dbraw/zinc/83/35/58/835833558.db2.gz URWGHXPHKBILGT-NHCUHLMSSA-N 0 0 383.536 3.747 10 30 GHEERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000329279805 861235777 /nfs/dbraw/zinc/23/57/77/861235777.db2.gz MPSHJKDJUWEVHQ-MJGOQNOKSA-N 0 0 397.519 3.681 10 30 GHEERN C[C@H](CCc1ccc(Br)cc1)NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329421873 861399884 /nfs/dbraw/zinc/39/98/84/861399884.db2.gz FNPMPECMCVQUQA-DAXOMENPSA-N 0 0 394.313 3.735 10 30 GHEERN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[C@@H](C)c4cccc(O)c43)C2)n1 ZINC000408269802 843684836 /nfs/dbraw/zinc/68/48/36/843684836.db2.gz SXVUBXXQMUWWAK-QAPCUYQASA-N 0 0 390.487 3.724 10 30 GHEERN [O-]C(=[NH+][C@@H]1CCc2ncnn2C1)N1CCC(c2cccc3ccccc32)CC1 ZINC000329464262 861478156 /nfs/dbraw/zinc/47/81/56/861478156.db2.gz UOYPPDFYNATDHG-GOSISDBHSA-N 0 0 375.476 3.540 10 30 GHEERN CC[C@H](NC(=O)C(C#N)=C(O)C(C)=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000588557772 848717143 /nfs/dbraw/zinc/71/71/43/848717143.db2.gz QHWVCMRFNCWONW-XAVQCDGQSA-N 0 0 391.427 3.974 10 30 GHEERN CN(CCC#N)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 ZINC000101858776 851939057 /nfs/dbraw/zinc/93/90/57/851939057.db2.gz WVNXOEHEIWFYGE-HJNYFJLDSA-N 0 0 389.499 3.985 10 30 GHEERN O=C(N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)N1CCn2ccnc2C1 ZINC000329826768 862350338 /nfs/dbraw/zinc/35/03/38/862350338.db2.gz INGYBQWYYUXTMP-INIZCTEOSA-N 0 0 397.479 3.953 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CC(C)(C)Oc4ccccc43)C2)nn1 ZINC000329916731 862420328 /nfs/dbraw/zinc/42/03/28/862420328.db2.gz DUWNRPGPRZPBRA-WMZOPIPTSA-N 0 0 395.507 3.560 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@@H]1c1ccc3c(c1)OCCO3)CCC2 ZINC000328637135 854486283 /nfs/dbraw/zinc/48/62/83/854486283.db2.gz AOEABAIENGVUPI-ZWKOTPCHSA-N 0 0 396.491 3.591 10 30 GHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)c1cnn2c1nccc2-c1ccccc1 ZINC000328691840 854511267 /nfs/dbraw/zinc/51/12/67/854511267.db2.gz IZKRHAMTINPTQA-QGZVFWFLSA-N 0 0 375.432 3.743 10 30 GHEERN Cc1cc(C)n(-c2ccc(CCNC(=O)N[C@@H]3CCC(=O)NC34CCC4)cc2)n1 ZINC000328743160 854524531 /nfs/dbraw/zinc/52/45/31/854524531.db2.gz NFSRZIAWCDDAFG-LJQANCHMSA-N 0 0 395.507 3.577 10 30 GHEERN Cc1noc([C@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C2CCOCC2)n1 ZINC000328760560 854531501 /nfs/dbraw/zinc/53/15/01/854531501.db2.gz XJEJPTNVYKMHEZ-CDXJDZJCSA-N 0 0 383.448 3.543 10 30 GHEERN O=C(Nc1ccccc1OC[C@@H]1CCCCO1)N1CCC[C@H](n2cccn2)C1 ZINC000328774440 854536683 /nfs/dbraw/zinc/53/66/83/854536683.db2.gz SAEMZZFRANWBMY-ROUUACIJSA-N 0 0 384.480 3.714 10 30 GHEERN C[C@H](NC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1)c1ccccc1Oc1ccccc1 ZINC000328886456 854598184 /nfs/dbraw/zinc/59/81/84/854598184.db2.gz OWRVSPPXDXQCGX-WEYGHZABSA-N 0 0 395.503 3.859 10 30 GHEERN Cc1ccc(Oc2ccccc2NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cc1 ZINC000328944850 854611010 /nfs/dbraw/zinc/61/10/10/854611010.db2.gz JMHONAUDZMANSF-TZIWHRDSSA-N 0 0 381.476 3.738 10 30 GHEERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000328965460 854635178 /nfs/dbraw/zinc/63/51/78/854635178.db2.gz MJFNMSZFDWLKNM-YQVWRLOYSA-N 0 0 391.512 3.616 10 30 GHEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000330260161 862703228 /nfs/dbraw/zinc/70/32/28/862703228.db2.gz NYPOFSBZMSURJI-FRFSOERESA-N 0 0 377.872 3.543 10 30 GHEERN CCOc1ccc(C#N)cc1NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000056802070 855670791 /nfs/dbraw/zinc/67/07/91/855670791.db2.gz HTILTIMHMCTQPS-UHFFFAOYSA-N 0 0 398.507 3.603 10 30 GHEERN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC[C@@H](C(F)(F)F)C3(C)C)C2)n1 ZINC000408276838 856507476 /nfs/dbraw/zinc/50/74/76/856507476.db2.gz LQKDPSBLKOPYJA-HZPDHXFCSA-N 0 0 394.441 3.668 10 30 GHEERN CN(C(=O)/C=C/c1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000155205812 860439063 /nfs/dbraw/zinc/43/90/63/860439063.db2.gz OVIOLCFRAJWEMA-NDSCQQQNSA-N 0 0 395.503 3.960 10 30 GHEERN CC(C)COc1ccc([C@H](C)NC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000329122840 861041123 /nfs/dbraw/zinc/04/11/23/861041123.db2.gz RJXKLTSOBXPABA-CDXJDZJCSA-N 0 0 376.497 3.624 10 30 GHEERN COc1cc(OC)c([C@@H](C)Nc2cnn(-c3ncccc3C#N)c2)cc1Cl ZINC000186026241 864096197 /nfs/dbraw/zinc/09/61/97/864096197.db2.gz ZMOIIVXBGFWMKI-GFCCVEGCSA-N 0 0 383.839 3.983 10 30 GHEERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000101739290 864985732 /nfs/dbraw/zinc/98/57/32/864985732.db2.gz LFIYBOKZKHSZDL-ZDUSSCGKSA-N 0 0 376.888 3.616 10 30 GHEERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)NCc3ccc(OCC#N)cc3)C2)cc1 ZINC000172373472 882279749 /nfs/dbraw/zinc/27/97/49/882279749.db2.gz KFCXLIAHDCRISW-VQIMIIECSA-N 0 0 379.460 3.685 10 30 GHEERN COc1ccccc1N1CCC(NC(=O)c2cccc(SCC#N)c2)CC1 ZINC000175777845 882625869 /nfs/dbraw/zinc/62/58/69/882625869.db2.gz PWYRVXUBFYEOGM-UHFFFAOYSA-N 0 0 381.501 3.710 10 30 GHEERN COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc([N+](=O)[O-])cc2C)cc1Cl ZINC000102120513 872612860 /nfs/dbraw/zinc/61/28/60/872612860.db2.gz YFINPBOZSKGVNA-AWEZNQCLSA-N 0 0 387.779 3.526 10 30 GHEERN C[C@H](C#N)Oc1ccccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000182079072 883202789 /nfs/dbraw/zinc/20/27/89/883202789.db2.gz KOBYMQJHIMRVTR-CQSZACIVSA-N 0 0 383.473 3.530 10 30 GHEERN N#C[C@H]1CN(C(=O)Nc2ccc(-c3ncco3)cc2)CCN1Cc1ccccc1 ZINC000182584424 883227094 /nfs/dbraw/zinc/22/70/94/883227094.db2.gz IOHOOLYHUNHIMS-FQEVSTJZSA-N 0 0 387.443 3.583 10 30 GHEERN C=CCOc1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)cc1OC ZINC000189835535 884016269 /nfs/dbraw/zinc/01/62/69/884016269.db2.gz UWFDHNCXKDYWPI-UHFFFAOYSA-N 0 0 379.456 3.969 10 30 GHEERN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000193309204 884338248 /nfs/dbraw/zinc/33/82/48/884338248.db2.gz ZCHDYOKLBINUCF-NRFANRHFSA-N 0 0 375.472 3.962 10 30 GHEERN COc1ccccc1CCN(C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000104962711 886986595 /nfs/dbraw/zinc/98/65/95/886986595.db2.gz KDCUBNTYUATNLC-UHFFFAOYSA-N 0 0 385.895 3.770 10 30 GHEERN Cc1ccc(I)c(C(=O)NCc2ccc(C#N)cc2F)c1 ZINC000105586056 891248995 /nfs/dbraw/zinc/24/89/95/891248995.db2.gz GHZHDDVCHXDKFX-UHFFFAOYSA-N 0 0 394.187 3.540 10 30 GHEERN C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1 ZINC000248602743 891443497 /nfs/dbraw/zinc/44/34/97/891443497.db2.gz UVQOICAMXCZZPB-AUJRIZCKSA-N 0 0 397.862 3.789 10 30 GHEERN CC(=O)N1CC[C@H](NC(=O)c2cccc(SCC#N)c2)c2ccc(F)cc2C1 ZINC000185529604 1014585189 /nfs/dbraw/zinc/58/51/89/1014585189.db2.gz XIRUDUZUFIBVSF-FQEVSTJZSA-N 0 0 397.475 3.665 10 30 GHEERN O=C1/C(=N\NC(=S)Nc2ccccc2)c2ccccc2N1Cc1ccccc1 ZINC000018067538 221386325 /nfs/dbraw/zinc/38/63/25/221386325.db2.gz WVWFPYXZEUKJLZ-GFMRDNFCSA-N 0 0 386.480 3.924 10 30 GHEERN COc1ccc(CN(Cc2ccccc2)C2=N/C(=N\CC(C)=O)S2)c(OC)c1 ZINC000020161510 533550056 /nfs/dbraw/zinc/55/00/56/533550056.db2.gz WBVRLOPQQRXUTQ-LSDHQDQOSA-N 0 0 397.500 3.754 10 30 GHEERN COc1cccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cc(C)ccc2C)c1 ZINC000046130161 570211308 /nfs/dbraw/zinc/21/13/08/570211308.db2.gz GOYZVZXTSYPBIV-IBGZPJMESA-N 0 0 381.476 3.689 10 30 GHEERN C[C@H](NC(=O)[C@H]1CSCN1C(=O)C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000329208606 834547195 /nfs/dbraw/zinc/54/71/95/834547195.db2.gz YSLMAJIBFVFOTC-XJKSGUPXSA-N 0 0 390.505 3.567 10 30 GHEERN N#Cc1cc(F)c(/C=C2/NC(=S)N(Cc3ccccc3Cl)C2=O)c(F)c1 ZINC000588600697 834558663 /nfs/dbraw/zinc/55/86/63/834558663.db2.gz GMFWMKRPJNXLMF-FRKPEAEDSA-N 0 0 389.814 3.748 10 30 GHEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000329652942 835535901 /nfs/dbraw/zinc/53/59/01/835535901.db2.gz LCPVVQHKPSXFST-UONOGXRCSA-N 0 0 381.461 3.713 10 30 GHEERN CC(C)c1nnc([C@@H]2CN(C(=O)NC3CCC(C(F)(F)F)CC3)CCO2)o1 ZINC000329955411 836326679 /nfs/dbraw/zinc/32/66/79/836326679.db2.gz PBNDGNVJNSTVLW-BPCQOVAHSA-N 0 0 390.406 3.601 10 30 GHEERN CCO[C@@H]1C[C@@H](NC(=O)NC2CCC(C(F)(F)F)CC2)C12CCOCC2 ZINC000329982249 836634124 /nfs/dbraw/zinc/63/41/24/836634124.db2.gz OSWWAEJRBBVUGW-NEXFUWMNSA-N 0 0 378.435 3.585 10 30 GHEERN N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000188868634 837951117 /nfs/dbraw/zinc/95/11/17/837951117.db2.gz BSFXRDKVKRONGN-UHFFFAOYSA-N 0 0 393.419 3.725 10 30 GHEERN C/C(=C/C(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccccc1OC(F)F ZINC000588468337 844339852 /nfs/dbraw/zinc/33/98/52/844339852.db2.gz IVUZYTKLXUVCRO-LCYFTJDESA-N 0 0 395.369 3.782 10 30 GHEERN N#C[C@H]1CCC[C@@H]1Nc1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC000330047458 838785216 /nfs/dbraw/zinc/78/52/16/838785216.db2.gz JIYDWWXTMXLGNW-ZBFHGGJFSA-N 0 0 397.548 3.506 10 30 GHEERN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)Nc2c3c(ccc2OC)CCC3)cn1 ZINC000330102798 839506787 /nfs/dbraw/zinc/50/67/87/839506787.db2.gz GHURCPWCWGTHQC-FXAWDEMLSA-N 0 0 384.480 3.647 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)CCC2 ZINC000329287614 861248244 /nfs/dbraw/zinc/24/82/44/861248244.db2.gz MKQRSSPEFDBVDV-CGTJXYLNSA-N 0 0 388.899 3.756 10 30 GHEERN Cc1nn(C)c(C)c1[C@H]1CCCN1[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000247742367 843639320 /nfs/dbraw/zinc/63/93/20/843639320.db2.gz NVMCTWXZGZTUMD-RHSMWYFYSA-N 0 0 397.548 3.623 10 30 GHEERN COCCOCCn1c(-c2c(C)noc2C)csc1=Nc1ccccc1C#N ZINC000588497201 846154176 /nfs/dbraw/zinc/15/41/76/846154176.db2.gz DOWZTUSTPMSJMJ-UHFFFAOYSA-N 0 0 398.488 3.589 10 30 GHEERN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)CC[C@H]2CN(C(C)=O)c3ccccc32)C1 ZINC000329637681 861859153 /nfs/dbraw/zinc/85/91/53/861859153.db2.gz VSIDPUIBVWVEJV-RTJKRDSASA-N 0 0 390.549 3.953 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)Nc3ccc(Br)cc3)C2)nn1 ZINC000329660238 861965662 /nfs/dbraw/zinc/96/56/62/861965662.db2.gz ICVWHVAHLFGKGN-HNNXBMFYSA-N 0 0 390.285 3.542 10 30 GHEERN Cc1ccc([C@H](NC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)C2CC2)cc1 ZINC000329688482 862059228 /nfs/dbraw/zinc/05/92/28/862059228.db2.gz VMOFNCHGGFNMRV-FPOVZHCZSA-N 0 0 379.508 3.751 10 30 GHEERN Cc1noc([C@@H]2CCN(C(=O)N[C@@H]3CCc4cc(Br)ccc43)C2)n1 ZINC000329132103 849815508 /nfs/dbraw/zinc/81/55/08/849815508.db2.gz PBAKWYKYHZDXBZ-IUODEOHRSA-N 0 0 391.269 3.531 10 30 GHEERN CN(C([O-])=[NH+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@H]1CCc2ccccc2C1 ZINC000329713930 862207806 /nfs/dbraw/zinc/20/78/06/862207806.db2.gz SFFZJRRPSCQOCW-OTWHNJEPSA-N 0 0 396.491 3.570 10 30 GHEERN O=C(N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)N1CC[C@@H](CCO)C1 ZINC000329862771 862380204 /nfs/dbraw/zinc/38/02/04/862380204.db2.gz RIRBKTROFWQGSS-XJKSGUPXSA-N 0 0 389.496 3.945 10 30 GHEERN N#Cc1ccc(Br)cc1NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000184069229 852684906 /nfs/dbraw/zinc/68/49/06/852684906.db2.gz OVOOJRKUBLRLNL-CYBMUJFWSA-N 0 0 388.196 3.524 10 30 GHEERN CC(C)c1nnc([C@@H]2CN(C(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)CCO2)o1 ZINC000329895029 862403862 /nfs/dbraw/zinc/40/38/62/862403862.db2.gz BRZXWGHGZNCXDG-XQQFMLRXSA-N 0 0 390.406 3.601 10 30 GHEERN Cn1cc([C@@H]2[C@H](C(=O)N[C@H]3CCc4ccccc43)CC(=O)N2C(C)(C)C)cn1 ZINC000330048411 862531135 /nfs/dbraw/zinc/53/11/35/862531135.db2.gz KAUUAUKADXVGFD-WSTZPKSXSA-N 0 0 380.492 3.752 10 30 GHEERN O=C(NC1CCN(C(=O)C2CC2)CC1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000330093411 862569164 /nfs/dbraw/zinc/56/91/64/862569164.db2.gz ZTOUVQKKVWXEDM-IBGZPJMESA-N 0 0 397.519 3.728 10 30 GHEERN COc1cccc([C@@H]2CCCN2C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000328605112 854480550 /nfs/dbraw/zinc/48/05/50/854480550.db2.gz JFJDXZZJJOMDQA-HBFSDRIKSA-N 0 0 385.508 3.537 10 30 GHEERN CC1(C)C[C@@H](NC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c2ccccc2O1 ZINC000328604778 854480988 /nfs/dbraw/zinc/48/09/88/854480988.db2.gz IXWTXXUDUXTBPK-SOLBZPMBSA-N 0 0 385.508 3.584 10 30 GHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000328754273 854529064 /nfs/dbraw/zinc/52/90/64/854529064.db2.gz SFHGVQFULPBLDF-JKSUJKDBSA-N 0 0 377.872 3.749 10 30 GHEERN CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)N[C@@H]2CCCNC2=O)cc1 ZINC000328869021 854590281 /nfs/dbraw/zinc/59/02/81/854590281.db2.gz CQNVTCDCBZFPFH-HZPDHXFCSA-N 0 0 389.521 3.575 10 30 GHEERN C[C@H](Cc1ccccc1Br)NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000328875329 854593301 /nfs/dbraw/zinc/59/33/01/854593301.db2.gz JTDOZQBCAQQXAY-JGFGOQIWSA-N 0 0 394.313 3.781 10 30 GHEERN Cc1cccc(Oc2ccccc2NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c1 ZINC000328956951 854616235 /nfs/dbraw/zinc/61/62/35/854616235.db2.gz NWEKOLBXSHGYSO-TZIWHRDSSA-N 0 0 381.476 3.738 10 30 GHEERN CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)N[C@@H]2c3ccccc3CCC2(C)C)C1 ZINC000328992535 854644228 /nfs/dbraw/zinc/64/42/28/854644228.db2.gz FURKMRBELVQLIK-BPQIPLTHSA-N 0 0 383.496 3.503 10 30 GHEERN N#C[C@@H]1CN(C(=O)N[C@H]2CCOC3(CCSCC3)C2)C[C@H]1c1ccccc1 ZINC000330209361 862663121 /nfs/dbraw/zinc/66/31/21/862663121.db2.gz HNCSCCYVJYUNIO-QYZOEREBSA-N 0 0 385.533 3.584 10 30 GHEERN N#Cc1ccc(N2CCN(Cc3ncc(-c4ccccc4Cl)o3)CC2)nc1 ZINC000173559985 856993018 /nfs/dbraw/zinc/99/30/18/856993018.db2.gz DZWWRPFTWSLVHW-UHFFFAOYSA-N 0 0 379.851 3.584 10 30 GHEERN Cc1c(Cl)cnc(N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)c1C#N ZINC000329433177 860358640 /nfs/dbraw/zinc/35/86/40/860358640.db2.gz ICQHJVZQWNNFFI-OAHLLOKOSA-N 0 0 383.883 3.568 10 30 GHEERN CC(C)NC(=O)c1cnn2c1C[C@H](CNC(=O)[C@@H]1CCc3ccccc31)CC2 ZINC000329112705 861031273 /nfs/dbraw/zinc/03/12/73/861031273.db2.gz RMPBTIIWPTYHRQ-CRAIPNDOSA-N 0 0 380.492 3.845 10 30 GHEERN Cc1cnn(CC2CCN([C@@H](C)C(=O)Nc3ccc4c(c3)OCCCO4)CC2)c1 ZINC000329139174 861057480 /nfs/dbraw/zinc/05/74/80/861057480.db2.gz FBJWNPVEDRTVHC-KRWDZBQOSA-N 0 0 398.507 3.742 10 30 GHEERN Cc1ccc([C@@H]2OCCC[C@H]2C(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)cc1 ZINC000329152570 861074424 /nfs/dbraw/zinc/07/44/24/861074424.db2.gz ASZWDCNCDQWWMI-IZZBFERCSA-N 0 0 383.492 3.931 10 30 GHEERN CNC(=O)[C@H]1CN(C(=O)N[C@@H]2CCC[C@H](C(C)C)CC2)C[C@@H]1c1cnn(C)c1 ZINC000329169730 861094990 /nfs/dbraw/zinc/09/49/90/861094990.db2.gz JGVFNYKOOJAIFH-AITUJVMLSA-N 0 0 389.544 3.541 10 30 GHEERN N#C[C@@H]1CN(C(=O)c2csc(-c3ccsc3)n2)CCN1Cc1ccccc1 ZINC000114309784 868748232 /nfs/dbraw/zinc/74/82/32/868748232.db2.gz ZUXODAKEXAUXOB-QGZVFWFLSA-N 0 0 394.525 3.722 10 30 GHEERN C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2c(C)nn(C)c2Cl)c1 ZINC000103943072 874008908 /nfs/dbraw/zinc/00/89/08/874008908.db2.gz JMUMMTMCZXPECF-UHFFFAOYSA-N 0 0 399.903 3.759 10 30 GHEERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C2)c1 ZINC000181545926 883162438 /nfs/dbraw/zinc/16/24/38/883162438.db2.gz RYBIKRWQSUFETD-KRWDZBQOSA-N 0 0 376.456 3.889 10 30 GHEERN N#CCOc1ccc(/C=C/C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1 ZINC000129170372 887268631 /nfs/dbraw/zinc/26/86/31/887268631.db2.gz AWOXBBQXRNEMGG-HDFUYHJRSA-N 0 0 376.456 3.574 10 30 GHEERN CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)ccc1OC ZINC000247981567 891405599 /nfs/dbraw/zinc/40/55/99/891405599.db2.gz MWQLHCSZBXFUMU-OJAWGZOXSA-N 0 0 391.471 3.514 10 30 GHEERN COc1ccc(NC(=NCCc2c[nH]c3ccccc23)NC(=O)C2CC2)cc1 ZINC000032943060 524377617 /nfs/dbraw/zinc/37/76/17/524377617.db2.gz BAFCJZWEDMFXFC-UHFFFAOYSA-N 0 0 376.460 3.713 10 30 GHEERN COc1cc(OC)c(OC)cc1/C=N\N1CCN(c2ccc(Cl)cc2)CC1 ZINC000015658743 570901098 /nfs/dbraw/zinc/90/10/98/570901098.db2.gz LGNSNTFKQUBFOR-HMAPJEAMSA-N 0 0 389.883 3.522 10 30 GHEERN CCOc1ccc(C(=O)/C=C\c2ccc3c(c2)sc(=O)n3C)cc1[N+](=O)[O-] ZINC000588599317 834542579 /nfs/dbraw/zinc/54/25/79/834542579.db2.gz XNYDUYDQDYSOPM-YVMONPNESA-N 0 0 384.413 3.803 10 30 GHEERN O=C(NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)N[C@H]1CCCC[C@H]1CO ZINC000329874720 835192418 /nfs/dbraw/zinc/19/24/18/835192418.db2.gz FYIBVLWLYMLBPD-SQNIBIBYSA-N 0 0 399.560 3.970 10 30 GHEERN O=C(NCC1(N2CCOCC2)CCCCC1)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329575436 835275994 /nfs/dbraw/zinc/27/59/94/835275994.db2.gz OBVCKAGHIQMMRU-WMZHIEFXSA-N 0 0 384.520 3.718 10 30 GHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000333224413 844342279 /nfs/dbraw/zinc/34/22/79/844342279.db2.gz SMKQPCOXRPGEID-JQFCIGGWSA-N 0 0 391.313 3.727 10 30 GHEERN N#C[C@@H]1CCC[C@@H]1Nc1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC000330047457 838785600 /nfs/dbraw/zinc/78/56/00/838785600.db2.gz JIYDWWXTMXLGNW-HOCLYGCPSA-N 0 0 397.548 3.506 10 30 GHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000328707751 839049612 /nfs/dbraw/zinc/04/96/12/839049612.db2.gz QDTFHXSOTMTISX-JKSUJKDBSA-N 0 0 394.479 3.564 10 30 GHEERN O=C(Nc1cccc(C(=O)N2CCCC2)c1)N1CCC(c2nccs2)CC1 ZINC000328766142 840802675 /nfs/dbraw/zinc/80/26/75/840802675.db2.gz PKDSBEKYSRQGQT-UHFFFAOYSA-N 0 0 384.505 3.804 10 30 GHEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC([O-])=[NH+][C@H]1CCOc3ccc(F)cc31)C2 ZINC000329266079 861220095 /nfs/dbraw/zinc/22/00/95/861220095.db2.gz HHBKMAIMAWRAIS-HOCLYGCPSA-N 0 0 386.471 3.662 10 30 GHEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC([O-])=[NH+][C@@H]1CCOc3ccc(F)cc31)C2 ZINC000329266077 861220168 /nfs/dbraw/zinc/22/01/68/861220168.db2.gz HHBKMAIMAWRAIS-GOEBONIOSA-N 0 0 386.471 3.662 10 30 GHEERN Cc1cc(N2CCC[C@H](N[C@H]3CCC[C@H]3C#N)C2=O)ccc1Br ZINC000333553174 846708007 /nfs/dbraw/zinc/70/80/07/846708007.db2.gz FXYLCHHGHKHKDX-JQFCIGGWSA-N 0 0 376.298 3.535 10 30 GHEERN CC(=O)N1C[C@H](CCC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)c2ccccc21 ZINC000329610323 861770979 /nfs/dbraw/zinc/77/09/79/861770979.db2.gz JHEYUDHRCGZJPM-RBUKOAKNSA-N 0 0 397.519 3.522 10 30 GHEERN Cc1nnc([C@@H](NCc2cccn2Cc2ccccc2C#N)c2ccccc2)[nH]1 ZINC000187813036 848305122 /nfs/dbraw/zinc/30/51/22/848305122.db2.gz CZDCUMHGEYDKIO-QFIPXVFZSA-N 0 0 382.471 3.714 10 30 GHEERN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 ZINC000329714311 862208923 /nfs/dbraw/zinc/20/89/23/862208923.db2.gz SUESDFIZNNAEAC-MPTZMVSHSA-N 0 0 379.545 3.696 10 30 GHEERN CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000329784262 862319452 /nfs/dbraw/zinc/31/94/52/862319452.db2.gz VUPLIBOOWBGPIS-UAGQMJEPSA-N 0 0 392.569 3.582 10 30 GHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc(Br)sc1Br ZINC000225119187 853329186 /nfs/dbraw/zinc/32/91/86/853329186.db2.gz IGNNWDJPPGQCMA-XPUUQOCRSA-N 0 0 378.089 3.695 10 30 GHEERN O=C(NC[C@H]1CCc2nc(C(F)(F)F)cn2C1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330075873 862556489 /nfs/dbraw/zinc/55/64/89/862556489.db2.gz DKQDASCSBJXYAH-HACGYAERSA-N 0 0 394.397 3.594 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N(C)[C@H]1CCCN(c3ccccc3)C1)CCC2 ZINC000328653210 854490865 /nfs/dbraw/zinc/49/08/65/854490865.db2.gz KWTVYDWCFPEOTN-ICSRJNTNSA-N 0 0 381.524 3.584 10 30 GHEERN C[C@@H]1C[C@H](CNC(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccc(F)cc2)CCO1 ZINC000328727264 854538195 /nfs/dbraw/zinc/53/81/95/854538195.db2.gz VAKFKKBCUWJBKJ-OHRYMORCSA-N 0 0 387.455 3.861 10 30 GHEERN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C1 ZINC000330152715 862619883 /nfs/dbraw/zinc/61/98/83/862619883.db2.gz MGALENFHGANKKC-MBOZVWFJSA-N 0 0 386.471 3.571 10 30 GHEERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1CCC(O)(C(F)F)CC1 ZINC000330280863 862719778 /nfs/dbraw/zinc/71/97/78/862719778.db2.gz TVFIZRMVOYDVRH-HNNXBMFYSA-N 0 0 380.435 3.829 10 30 GHEERN Cc1nc(C)n(C[C@@H]2CCCN(c3cc(C)c(C#N)c4nc5ccccc5n43)C2)n1 ZINC000112557407 857150351 /nfs/dbraw/zinc/15/03/51/857150351.db2.gz YDQKRTVSOFLPSX-GOSISDBHSA-N 0 0 399.502 3.793 10 30 GHEERN Cc1ccc(C)c(NC(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)c1 ZINC000330342802 863026006 /nfs/dbraw/zinc/02/60/06/863026006.db2.gz BFQZBLHFOFDDIE-SFHVURJKSA-N 0 0 380.492 3.997 10 30 GHEERN CC(C)CC(=O)N1CCC(Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)CC1 ZINC000184996554 858815646 /nfs/dbraw/zinc/81/56/46/858815646.db2.gz XPERCRIAGLUSDM-UHFFFAOYSA-N 0 0 385.895 3.811 10 30 GHEERN COc1ccc([C@H](C)NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1F ZINC000102826091 860873779 /nfs/dbraw/zinc/87/37/79/860873779.db2.gz CASMVDGRAUCIDP-INIZCTEOSA-N 0 0 397.450 3.739 10 30 GHEERN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)[C@]12CCCO2 ZINC000329042389 860972191 /nfs/dbraw/zinc/97/21/91/860972191.db2.gz OQEULFGHGGHLHT-OLWFFGNSSA-N 0 0 391.512 3.615 10 30 GHEERN Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c1 ZINC000329189385 861118181 /nfs/dbraw/zinc/11/81/81/861118181.db2.gz QSHMMGHCDDKVDU-CEWLAPEOSA-N 0 0 398.528 3.752 10 30 GHEERN O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1[N+](=O)[O-] ZINC000100930538 871648567 /nfs/dbraw/zinc/64/85/67/871648567.db2.gz WPGDZJKQESJAJJ-UHFFFAOYSA-N 0 0 381.175 3.923 10 30 GHEERN Cc1cc(C(=O)NCCCc2nc(C(C)C)no2)c(C)n1-c1ccc(C#N)cc1 ZINC000102914717 873815618 /nfs/dbraw/zinc/81/56/18/873815618.db2.gz GYHYTXOFVUJZNP-UHFFFAOYSA-N 0 0 391.475 3.835 10 30 GHEERN N#Cc1ccc(OC(F)F)c(NC(=O)NCc2cnn(-c3ccccc3)c2)c1 ZINC000102802704 884463414 /nfs/dbraw/zinc/46/34/14/884463414.db2.gz BNKNQFDJXIAZIC-UHFFFAOYSA-N 0 0 383.358 3.667 10 30 GHEERN CC[C@H](C#N)Oc1cc(CNC(=O)[C@H]2Oc3ccccc3[C@@H]2C)ccc1OC ZINC000246773698 891305925 /nfs/dbraw/zinc/30/59/25/891305925.db2.gz VOGBOZYXDGTHPW-PXARDIRTSA-N 0 0 380.444 3.557 10 30 GHEERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000190009985 908402151 /nfs/dbraw/zinc/40/21/51/908402151.db2.gz MUYALISRXNPQQL-OXQOHEQNSA-N 0 0 388.427 3.519 10 30 GHEERN N#Cc1ccc(C(=O)NCc2c(-c3ccc(F)cc3)nc3n2CCS3)cc1 ZINC000017155395 221379634 /nfs/dbraw/zinc/37/96/34/221379634.db2.gz MSNVJVPRJAQNPR-UHFFFAOYSA-N 0 0 378.432 3.597 10 30 GHEERN CC[C@@H](C)N1Cc2cc(NC(=O)c3ccc(C#N)cc3)ccc2O[C@@H](C)C1=O ZINC000035908979 221835212 /nfs/dbraw/zinc/83/52/12/221835212.db2.gz OWRHWVWOSMLMLX-CABCVRRESA-N 0 0 377.444 3.719 10 30 GHEERN CCCO/C(=N/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1)SC ZINC000006343490 520206719 /nfs/dbraw/zinc/20/67/19/520206719.db2.gz AISUBTGZMCSDFD-MFCVEEQMSA-N 0 0 376.503 3.968 10 30 GHEERN COc1cc(C(=O)O/N=C(/c2ccccc2)c2ccncc2)cc(OC)c1OC ZINC000059459352 522170349 /nfs/dbraw/zinc/17/03/49/522170349.db2.gz LRBHNXWZLUNEER-GFMRDNFCSA-N 0 0 392.411 3.717 10 30 GHEERN O=S(=O)(c1ccc(/N=C/c2c(Cl)cccc2Cl)cc1)N1CCOCC1 ZINC000095082147 527268421 /nfs/dbraw/zinc/26/84/21/527268421.db2.gz RQWQDITZYHAIPX-UDWIEESQSA-N 0 0 399.299 3.765 10 30 GHEERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)/N=C1\N=C2C=CC=CN2Cc2ccccc21 ZINC000013304052 527627879 /nfs/dbraw/zinc/62/78/79/527627879.db2.gz ZPWAGQTUTIZFKH-QONFZJIXSA-N 0 0 384.395 3.879 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@H]3CCc3ccccc3)C2)nn1 ZINC000329559113 835247290 /nfs/dbraw/zinc/24/72/90/835247290.db2.gz FMFFXQUQMXVFBR-SFTDATJTSA-N 0 0 393.535 3.765 10 30 GHEERN Cc1ccc([C@H]2CN(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)CCO2)o1 ZINC000158728601 835521614 /nfs/dbraw/zinc/52/16/14/835521614.db2.gz MXVMBYVARAXMOL-HNAYVOBHSA-N 0 0 399.516 3.852 10 30 GHEERN Cc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)cc1 ZINC000329660567 835549407 /nfs/dbraw/zinc/54/94/07/835549407.db2.gz IHVYWDMRUMVVLD-UXHICEINSA-N 0 0 379.508 3.813 10 30 GHEERN O=C(N[C@@H]1CCN(c2ccccc2)C1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000329696154 835717362 /nfs/dbraw/zinc/71/73/62/835717362.db2.gz XUQOBOAGILNNDL-YHELAOLJSA-N 0 0 391.519 3.850 10 30 GHEERN CCO[C@@H]1C[C@H](NC(=O)NC2CCC(C(F)(F)F)CC2)C12CCOCC2 ZINC000329982250 836621712 /nfs/dbraw/zinc/62/17/12/836621712.db2.gz OSWWAEJRBBVUGW-PFSRBDOWSA-N 0 0 378.435 3.585 10 30 GHEERN CCCNc1ccc(C#N)cc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000175791461 838329969 /nfs/dbraw/zinc/32/99/69/838329969.db2.gz VFECQLFUFPNSAW-UHFFFAOYSA-N 0 0 396.516 3.933 10 30 GHEERN CC(=O)N[C@H]1CCCN(C(=O)c2cc3sc(N4CCCC4)nc3s2)C1 ZINC000330008043 838346976 /nfs/dbraw/zinc/34/69/76/838346976.db2.gz FBMQVYPPCIGJLS-LBPRGKRZSA-N 0 0 378.523 3.539 10 30 GHEERN Cn1cc([C@@H]2CSCCN2C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)cn1 ZINC000330052246 838832497 /nfs/dbraw/zinc/83/24/97/838832497.db2.gz OTYRLRPPGJFDSW-QEJZJMRPSA-N 0 0 390.475 3.793 10 30 GHEERN CC(C)(C[NH+]=C([O-])N1CCC(c2nccs2)CC1)c1ccc2c(c1)OCO2 ZINC000328745526 839748646 /nfs/dbraw/zinc/74/86/46/839748646.db2.gz KXTCQDQUSXEJAL-UHFFFAOYSA-N 0 0 387.505 3.943 10 30 GHEERN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)N2CC[C@@H]3CCC[C@@H]32)c1 ZINC000330225437 840206716 /nfs/dbraw/zinc/20/67/16/840206716.db2.gz BDLDBMJYPSJQPP-JXFKEZNVSA-N 0 0 399.516 3.932 10 30 GHEERN C[C@H](C#N)CSc1ccccc1NC(=O)NC1CCN(c2ncccn2)CC1 ZINC000108530197 840213435 /nfs/dbraw/zinc/21/34/35/840213435.db2.gz FULRVZMNYWNLLF-OAHLLOKOSA-N 0 0 396.520 3.519 10 30 GHEERN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)N1CC[C@H]2CCC[C@@H]21 ZINC000330261075 843071794 /nfs/dbraw/zinc/07/17/94/843071794.db2.gz TYQDWWSXXMCOAH-BEFAXECRSA-N 0 0 385.489 3.907 10 30 GHEERN Cc1nc(C(F)(F)F)c(CON=CC(=O)Nc2ccc(F)cc2F)s1 ZINC000588452222 843308208 /nfs/dbraw/zinc/30/82/08/843308208.db2.gz FDIISODKUJXPHV-UHFFFAOYSA-N 0 0 379.310 3.890 10 30 GHEERN Cc1noc([C@H](NC(=O)N2CCCC[C@@H]2Cc2ccccc2)C2CCOCC2)n1 ZINC000329483976 861518409 /nfs/dbraw/zinc/51/84/09/861518409.db2.gz FMAJIIFTTMXKSJ-WOJBJXKFSA-N 0 0 398.507 3.857 10 30 GHEERN C[C@H](N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1ccc(C#N)s1 ZINC000183364471 847338531 /nfs/dbraw/zinc/33/85/31/847338531.db2.gz YBYXELHNMWLCND-SOVGHPHASA-N 0 0 375.925 3.996 10 30 GHEERN COc1ccc(OC)c([C@@H]2CCCN2C(=O)N[C@H]2CCC(=O)NC23CCC3)c1 ZINC000328712402 854518464 /nfs/dbraw/zinc/51/84/64/854518464.db2.gz BPHFWHNXZFJURG-WMZOPIPTSA-N 0 0 387.480 3.796 10 30 GHEERN O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328712419 854518672 /nfs/dbraw/zinc/51/86/72/854518672.db2.gz BQCORAZKRFLDJW-OAHLLOKOSA-N 0 0 393.871 3.547 10 30 GHEERN O=C(N[C@H]1CCC(=O)NC12CCC2)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000328749176 854526797 /nfs/dbraw/zinc/52/67/97/854526797.db2.gz PXKGXVYAABLVHM-INIZCTEOSA-N 0 0 394.878 3.557 10 30 GHEERN Cc1ccc(NC(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)c(C)c1 ZINC000330106765 862578730 /nfs/dbraw/zinc/57/87/30/862578730.db2.gz LHDUIYKFXULTBM-SFHVURJKSA-N 0 0 380.492 3.997 10 30 GHEERN O=C(N[C@@H]1CCCCNC1=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1 ZINC000330171270 862632150 /nfs/dbraw/zinc/63/21/50/862632150.db2.gz FGFLAFLSDLCXLX-JZXOWHBKSA-N 0 0 386.427 3.555 10 30 GHEERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@H](C)c2oc3ccccc3c2C)C1 ZINC000330170587 862632274 /nfs/dbraw/zinc/63/22/74/862632274.db2.gz DUSPYSYUTMOCEL-IVMMDQJWSA-N 0 0 384.436 3.870 10 30 GHEERN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000106016854 855167746 /nfs/dbraw/zinc/16/77/46/855167746.db2.gz QZYVFVRCSUKYHT-UHFFFAOYSA-N 0 0 398.422 3.922 10 30 GHEERN C[C@@H]1CN(C(=O)N[C@H](Cc2ccccn2)c2ccccc2)C[C@]2(CCCOC2)O1 ZINC000330244599 862689485 /nfs/dbraw/zinc/68/94/85/862689485.db2.gz DGLGEMMXVPUCNK-AAIMPIBUSA-N 0 0 395.503 3.549 10 30 GHEERN C[C@@H](NC(=O)N1CCCN(c2ncccc2C#N)CC1)c1cccc(Cl)c1 ZINC000056552211 855569240 /nfs/dbraw/zinc/56/92/40/855569240.db2.gz PHBVYPMBENLNRN-OAHLLOKOSA-N 0 0 383.883 3.590 10 30 GHEERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCc2cc[nH]c(=O)c2C1 ZINC000330268729 862706801 /nfs/dbraw/zinc/70/68/01/862706801.db2.gz RJBNQPFJZFUWAU-GOSISDBHSA-N 0 0 379.460 3.896 10 30 GHEERN Cc1ccc(CNC(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)s1 ZINC000330325982 862908441 /nfs/dbraw/zinc/90/84/41/862908441.db2.gz JSBJWNIAYHXCBZ-MRXNPFEDSA-N 0 0 386.521 3.619 10 30 GHEERN COCc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(OCC#N)c(OC)c2)o1 ZINC000161252811 859766289 /nfs/dbraw/zinc/76/62/89/859766289.db2.gz AZQSVJVBANNQSV-WGLAMXGCSA-N 0 0 396.443 3.714 10 30 GHEERN Cc1ccc(Oc2ccccc2)c(NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c1 ZINC000329050895 860978310 /nfs/dbraw/zinc/97/83/10/860978310.db2.gz WHXMKGDSBYMOLB-CTNGQTDRSA-N 0 0 381.476 3.738 10 30 GHEERN Cc1cnn(CC2CCN([C@H](C)C(=O)Nc3ccc4c(c3)OCCCO4)CC2)c1 ZINC000329139175 861057036 /nfs/dbraw/zinc/05/70/36/861057036.db2.gz FBJWNPVEDRTVHC-QGZVFWFLSA-N 0 0 398.507 3.742 10 30 GHEERN Cc1cc([N+](=O)[O-])ccc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000102120441 872612772 /nfs/dbraw/zinc/61/27/72/872612772.db2.gz CAAKKSOTVCOAAW-CYBMUJFWSA-N 0 0 375.743 3.657 10 30 GHEERN COc1ccc(C(=O)/C=C/c2cnn(Cc3ccccc3)c2)cc1NC(C)=O ZINC000102200759 872748098 /nfs/dbraw/zinc/74/80/98/872748098.db2.gz CMLROHNZUWPCNT-CSKARUKUSA-N 0 0 375.428 3.795 10 30 GHEERN C=CCN(Cc1ccc(OC)cc1)C(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000117057356 873853454 /nfs/dbraw/zinc/85/34/54/873853454.db2.gz NEMVIUPNFPWIEP-UHFFFAOYSA-N 0 0 394.519 3.765 10 30 GHEERN N#Cc1ccc(NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)cc1Cl ZINC000192631801 882918543 /nfs/dbraw/zinc/91/85/43/882918543.db2.gz JJDOZXFOCYQOEE-AWEZNQCLSA-N 0 0 380.839 3.666 10 30 GHEERN COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000170889968 878958585 /nfs/dbraw/zinc/95/85/85/878958585.db2.gz UOVOETKPZDTKCR-MRXNPFEDSA-N 0 0 385.489 3.589 10 30 GHEERN COCCN(Cc1ccc(C#N)cc1)C(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103317492 884936604 /nfs/dbraw/zinc/93/66/04/884936604.db2.gz HMGXLSUIVJRDHR-UHFFFAOYSA-N 0 0 390.487 3.749 10 30 GHEERN COc1cc(/C=C/C(=O)N[C@H](c2ccccc2)c2ccncc2)ccc1OCC#N ZINC000121090344 886538041 /nfs/dbraw/zinc/53/80/41/886538041.db2.gz VSXNMBJRXHGQBM-PVOYRIJTSA-N 0 0 399.450 3.912 10 30 GHEERN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000105911339 890911324 /nfs/dbraw/zinc/91/13/24/890911324.db2.gz BIAVWECTLFNFEV-FQEVSTJZSA-N 0 0 375.472 3.658 10 30 GHEERN C#Cc1cccc(N(C)C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000103102217 898066845 /nfs/dbraw/zinc/06/68/45/898066845.db2.gz UCOHEYSJHHCHPY-RHSMWYFYSA-N 0 0 392.455 3.556 10 30 GHEERN O=S(=O)(c1ccc(/N=C\c2ccc(O)cc2)cc1)N1CCc2ccccc21 ZINC000005776394 220897752 /nfs/dbraw/zinc/89/77/52/220897752.db2.gz GPQNECBCNNBYSI-JCMHNJIXSA-N 0 0 378.453 3.894 10 30 GHEERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N(Cc2ccccc2C#N)C2CC2)C1 ZINC000095084691 222330672 /nfs/dbraw/zinc/33/06/72/222330672.db2.gz RZNACAZJAFAOPQ-SFHVURJKSA-N 0 0 383.492 3.696 10 30 GHEERN CC(=O)OCc1c2c(ccc1OC(C)=O)C(=O)/C(=C/c1ccccc1Cl)O2 ZINC000045919228 519756705 /nfs/dbraw/zinc/75/67/05/519756705.db2.gz AIGMLOODJYRMCQ-NVMNQCDNSA-N 0 0 386.787 3.945 10 30 GHEERN CCC(N=Nc1ccc(S(=O)(=O)N(CC)CC)cn1)c1ccc(Cl)cc1 ZINC000097991977 520176596 /nfs/dbraw/zinc/17/65/96/520176596.db2.gz FHPFVOBLNBKCCA-FXBPSFAMSA-N 0 0 394.928 3.992 10 30 GHEERN O=S(=O)(c1ccc(/N=C/c2ccc(O)cc2)cc1)N1CCc2ccccc21 ZINC000100037739 527268607 /nfs/dbraw/zinc/26/86/07/527268607.db2.gz GPQNECBCNNBYSI-PXLXIMEGSA-N 0 0 378.453 3.894 10 30 GHEERN CCOC(=O)C(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000261493364 528547107 /nfs/dbraw/zinc/54/71/07/528547107.db2.gz WFFAMPKXTMQPSD-NBKPTEEFSA-N 0 0 388.504 3.993 10 30 GHEERN O=C(Nc1cccc(C(=O)N2CCN(Cc3ncc[nH]3)CC2)c1)C1CCCCC1 ZINC000329424056 835016016 /nfs/dbraw/zinc/01/60/16/835016016.db2.gz HYVDMVFPERIXKH-UHFFFAOYSA-N 0 0 395.507 3.536 10 30 GHEERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N(C)Cc1ccc3ccccc3c1)CC2 ZINC000329858532 835089197 /nfs/dbraw/zinc/08/91/97/835089197.db2.gz WCLMODJVTWDLCZ-LJQANCHMSA-N 0 0 377.492 3.916 10 30 GHEERN C[C@H](NC(=O)N1CCCN(c2cccnn2)CC1)c1ccccc1C(F)(F)F ZINC000329511025 835165519 /nfs/dbraw/zinc/16/55/19/835165519.db2.gz KIKGGXNKEHTRCN-AWEZNQCLSA-N 0 0 393.413 3.683 10 30 GHEERN Cc1cccc([C@@H]2CCCN2C(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)c1 ZINC000329697715 835719455 /nfs/dbraw/zinc/71/94/55/835719455.db2.gz YMOHNAUFLRVNFJ-PMACEKPBSA-N 0 0 379.508 3.813 10 30 GHEERN N#CCCN(CC(F)(F)F)S(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000588588835 835722697 /nfs/dbraw/zinc/72/26/97/835722697.db2.gz FCGURNWAGBVPHA-TWGQIWQCSA-N 0 0 397.216 3.528 10 30 GHEERN N#CCOc1ccc(/C=C/C(=O)N2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC000103445542 837331704 /nfs/dbraw/zinc/33/17/04/837331704.db2.gz HEQNKTIWZSXKCL-OSICKASQSA-N 0 0 382.847 3.856 10 30 GHEERN N#Cc1cccc(OCc2cccc(C(=O)N3CCCC[C@H]3c3nc[nH]n3)c2)c1 ZINC000181193088 837868376 /nfs/dbraw/zinc/86/83/76/837868376.db2.gz YPSWDVRNWLQWSG-FQEVSTJZSA-N 0 0 387.443 3.623 10 30 GHEERN CC(=O)NC[C@@H]1CCn2ncc(C(=O)N[C@@H]3CCCc4cc(F)ccc43)c2C1 ZINC000330169273 838211540 /nfs/dbraw/zinc/21/15/40/838211540.db2.gz DFYYLGROCMAQAS-AUUYWEPGSA-N 0 0 384.455 3.943 10 30 GHEERN CCc1nc(CCNC(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)no1 ZINC000328679380 838413927 /nfs/dbraw/zinc/41/39/27/838413927.db2.gz TZYDPFQQOARAKK-KBXCAEBGSA-N 0 0 390.281 3.798 10 30 GHEERN Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)N[C@@H](c1cccc(C)c1)C(F)(F)F ZINC000330064704 839032907 /nfs/dbraw/zinc/03/29/07/839032907.db2.gz CLXIHBHGRAOQPO-WBVHZDCISA-N 0 0 396.413 3.926 10 30 GHEERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)N1CC2(CCC2)c2ccccc21 ZINC000330100435 839494004 /nfs/dbraw/zinc/49/40/04/839494004.db2.gz HSNVRNSESAFLCG-QGZVFWFLSA-N 0 0 382.485 3.761 10 30 GHEERN C[C@@H]1CCCN(Cc2csc(NC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)n2)C1 ZINC000330121114 839670606 /nfs/dbraw/zinc/67/06/06/839670606.db2.gz BIMDTJLGKBCBMK-JXXFODFXSA-N 0 0 392.569 3.548 10 30 GHEERN COc1cc2nc(C)sc2cc1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330134392 839762138 /nfs/dbraw/zinc/76/21/38/839762138.db2.gz RYURRMSBZIPSDV-ORAYPTAESA-N 0 0 375.494 3.786 10 30 GHEERN COc1ccc(O)cc1C(=O)/C=C\c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000588409693 841302294 /nfs/dbraw/zinc/30/22/94/841302294.db2.gz ONFYRZISHWHHKA-UITAMQMPSA-N 0 0 379.372 3.606 10 30 GHEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CCC(c3ccc(O)cc3)CC1)C2 ZINC000329287508 861247638 /nfs/dbraw/zinc/24/76/38/861247638.db2.gz PRSNJPFABDTMAC-SFHVURJKSA-N 0 0 396.535 3.995 10 30 GHEERN COC[C@@H]1CN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CC(C)(C)O1 ZINC000329304931 861266488 /nfs/dbraw/zinc/26/64/88/861266488.db2.gz XJZCJAIOEVUNDX-FUHWJXTLSA-N 0 0 388.508 3.863 10 30 GHEERN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)C(C)=Cc1ccc([N+](=O)[O-])cc1 ZINC000588447703 843116768 /nfs/dbraw/zinc/11/67/68/843116768.db2.gz SVOKHBQACGNZBH-BHEFUSTPSA-N 0 0 393.399 3.744 10 30 GHEERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000330279938 843465397 /nfs/dbraw/zinc/46/53/97/843465397.db2.gz RUHSNHFNBJREAA-GJZGRUSLSA-N 0 0 399.461 3.692 10 30 GHEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000247742362 843639646 /nfs/dbraw/zinc/63/96/46/843639646.db2.gz NVMCTWXZGZTUMD-PBHICJAKSA-N 0 0 397.548 3.623 10 30 GHEERN C[C@H](NC(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1)c1cccs1 ZINC000330335837 843715082 /nfs/dbraw/zinc/71/50/82/843715082.db2.gz RWSOTTJFSHSROO-JKSUJKDBSA-N 0 0 386.521 3.872 10 30 GHEERN O=C(C[C@@H]1CCCCNC1=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000329465043 861480093 /nfs/dbraw/zinc/48/00/93/861480093.db2.gz VHSMLPXBNVYOMN-FUHWJXTLSA-N 0 0 393.915 3.817 10 30 GHEERN Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@@H]3c3cccc(F)c3)C2)nn1 ZINC000329684825 862054140 /nfs/dbraw/zinc/05/41/40/862054140.db2.gz ULHQRXJGWVSPNS-RBUKOAKNSA-N 0 0 383.471 3.644 10 30 GHEERN CC[C@@H]1Oc2cc([C@H](C)NC(=O)N3CCC[C@H](NC(C)=O)C3)ccc2NC1=O ZINC000329805621 862334011 /nfs/dbraw/zinc/33/40/11/862334011.db2.gz NEUGZMCBUVUTQT-NUTKFTJISA-N 0 0 388.468 3.861 10 30 GHEERN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)C[C@@H]2CCCCNC2=O)c1C ZINC000329833742 862359335 /nfs/dbraw/zinc/35/93/35/862359335.db2.gz LLHVDTZNOMBHNL-RDJZCZTQSA-N 0 0 389.521 3.940 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCO[C@H](c3cccc(Cl)c3)C1)CCC2 ZINC000329838660 862361054 /nfs/dbraw/zinc/36/10/54/862361054.db2.gz NLVXEOXFUGCNGV-WMZOPIPTSA-N 0 0 388.899 3.710 10 30 GHEERN CC1(CNC(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccc(F)cc2)CCOCC1 ZINC000328652686 854490925 /nfs/dbraw/zinc/49/09/25/854490925.db2.gz BWGZLJLNKSLJEF-HKUYNNGSSA-N 0 0 387.455 3.862 10 30 GHEERN C[C@H](C(=O)NCC1CCCCC1)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000328664843 854495856 /nfs/dbraw/zinc/49/58/56/854495856.db2.gz BXMYUOFDZMQSOA-ULYRPOKDSA-N 0 0 380.492 3.907 10 30 GHEERN C[C@H](c1cc(F)ccc1F)N(C)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000328603720 854502392 /nfs/dbraw/zinc/50/23/92/854502392.db2.gz IAXDBBIYQMHRBQ-FMKPAKJESA-N 0 0 379.451 3.663 10 30 GHEERN O=C(N[C@@H]1CCc2c1cccc2Br)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328756280 854529247 /nfs/dbraw/zinc/52/92/47/854529247.db2.gz UALPZASOQLHERH-HUUCEWRRSA-N 0 0 392.297 3.982 10 30 GHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000328759518 854530606 /nfs/dbraw/zinc/53/06/06/854530606.db2.gz WTSORTHGRDFQOJ-LJQANCHMSA-N 0 0 397.475 3.503 10 30 GHEERN C[C@@H](CCc1ccc2c(c1)OCO2)[NH+]=C([O-])N1CCC(c2nccs2)CC1 ZINC000328774918 854536301 /nfs/dbraw/zinc/53/63/01/854536301.db2.gz SFTBZSFRUUDDOM-AWEZNQCLSA-N 0 0 387.505 3.987 10 30 GHEERN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000328729735 854539908 /nfs/dbraw/zinc/53/99/08/854539908.db2.gz FSEJJTUKRUXNPF-FUHWJXTLSA-N 0 0 388.487 3.648 10 30 GHEERN Cc1cc(C)cc(NC(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)c1 ZINC000330102933 862576860 /nfs/dbraw/zinc/57/68/60/862576860.db2.gz INQKIJYCGPQSAG-IBGZPJMESA-N 0 0 380.492 3.997 10 30 GHEERN C[C@@H](NC(=O)N1CCCN(c2ncccc2C#N)CC1)c1cc2ccccc2o1 ZINC000056570770 855575049 /nfs/dbraw/zinc/57/50/49/855575049.db2.gz DYUXPHIBGRVOIW-MRXNPFEDSA-N 0 0 389.459 3.682 10 30 GHEERN CC(C)[C@@H](NC(=O)N1CCCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000056576498 855581152 /nfs/dbraw/zinc/58/11/52/855581152.db2.gz IUNQVTMONTWPAQ-HXUWFJFHSA-N 0 0 377.492 3.572 10 30 GHEERN Cn1nccc1[C@@H]1[C@H](C(=O)N[C@H]2CCc3c2cccc3F)CCC(=O)N1C1CC1 ZINC000330318067 862870450 /nfs/dbraw/zinc/87/04/50/862870450.db2.gz CBONYNCELLAGLM-MMOPVJDHSA-N 0 0 396.466 3.645 10 30 GHEERN Cn1nccc1[C@H]1[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC(=O)N1C1CC1 ZINC000329058747 860981286 /nfs/dbraw/zinc/98/12/86/860981286.db2.gz YMJDPACVEMJHOY-AIGDLDKZSA-N 0 0 384.524 3.788 10 30 GHEERN Cn1nccc1[C@H]1[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)CC(=O)N1C1CC1 ZINC000329095635 861012764 /nfs/dbraw/zinc/01/27/64/861012764.db2.gz KYCJMCIUBWNDNO-KCDUSDJTSA-N 0 0 384.524 3.788 10 30 GHEERN O=C(CN1CCc2cncnc2C1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000329206496 861140259 /nfs/dbraw/zinc/14/02/59/861140259.db2.gz ZQCLJIOEDQXJRR-UHFFFAOYSA-N 0 0 380.448 3.555 10 30 GHEERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)[C@H]1CCCN1C(=O)C1CCCC1 ZINC000329223614 861164995 /nfs/dbraw/zinc/16/49/95/861164995.db2.gz YIBBEQHQVMXPEB-GUDVDZBRSA-N 0 0 392.446 3.933 10 30 GHEERN O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)[C@H]1CCCN1C(=O)C1CCCC1 ZINC000329223615 861167334 /nfs/dbraw/zinc/16/73/34/861167334.db2.gz YIBBEQHQVMXPEB-QRVBRYPASA-N 0 0 392.446 3.933 10 30 GHEERN N#Cc1cnc2ccccc2c1OCCOC(=O)c1coc(Br)c1 ZINC000102145813 872642482 /nfs/dbraw/zinc/64/24/82/872642482.db2.gz SDGCEWFAEQVMRY-UHFFFAOYSA-N 0 0 387.189 3.698 10 30 GHEERN CN(Cc1ccc(C#N)cc1)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000102567456 883580659 /nfs/dbraw/zinc/58/06/59/883580659.db2.gz LYAVCWUNVQCJFJ-UHFFFAOYSA-N 0 0 378.407 3.736 10 30 GHEERN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccnn1C ZINC000102796621 884453654 /nfs/dbraw/zinc/45/36/54/884453654.db2.gz BMSFSKLMQPTNAD-UHFFFAOYSA-N 0 0 375.432 3.501 10 30 GHEERN COc1cc(/C=C/C(=O)N2CCc3c([nH]c4ccccc43)C2)ccc1OCC#N ZINC000126637982 886989825 /nfs/dbraw/zinc/98/98/25/886989825.db2.gz XYXUTAMMDDZAGW-VQHVLOKHSA-N 0 0 387.439 3.677 10 30 GHEERN C=CCSc1nnnn1-c1ccc(OC(=O)C(Cl)=C(Cl)Cl)cc1 ZINC000002144571 212102064 /nfs/dbraw/zinc/10/20/64/212102064.db2.gz BCBVVVSJEXQOHH-UHFFFAOYSA-N 0 0 391.667 3.731 10 30 GHEERN C=CC[C@H](O)c1cc(I)cc(I)c1 ZINC000022004953 212105738 /nfs/dbraw/zinc/10/57/38/212105738.db2.gz HLGCDWVQUNVYJB-JTQLQIEISA-N 0 0 399.997 3.505 10 30 GHEERN COC(=O)c1ccc(/N=C2\S/C(=C/c3ccc(OC)cc3)C(=O)N2C)cc1 ZINC000005905108 220907750 /nfs/dbraw/zinc/90/77/50/220907750.db2.gz BIEYNCYIUUQIHK-MSYUKONTSA-N 0 0 382.441 3.716 10 30 GHEERN Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=N)N)CCC2 ZINC000040824880 221932223 /nfs/dbraw/zinc/93/22/23/221932223.db2.gz KPVHWIYCHSSZQU-FOKLQQMPSA-N 0 0 394.262 3.671 10 30 GHEERN C=C1C(=O)C[C@H]2C[C@@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)C[C@@H](OC(C)=O)[C@H]1C2(C)C ZINC000100152377 518657732 /nfs/dbraw/zinc/65/77/32/518657732.db2.gz HNPAHGHFONBTLV-MTISKLAHSA-N 0 0 376.493 3.595 10 30 GHEERN Cc1ccc(S(=O)(=O)OCCC(F)(F)C(F)(F)Br)cc1 ZINC000098210516 525620816 /nfs/dbraw/zinc/62/08/16/525620816.db2.gz BMEJTDUNYOBAKB-UHFFFAOYSA-N 0 0 379.169 3.713 10 30 GHEERN C[C@H](NC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000329158010 834470707 /nfs/dbraw/zinc/47/07/07/834470707.db2.gz DJBXHIAWBXRHJB-ZFWWWQNUSA-N 0 0 392.521 3.813 10 30 GHEERN C[C@H](NC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000329158009 834470746 /nfs/dbraw/zinc/47/07/46/834470746.db2.gz DJBXHIAWBXRHJB-DZGCQCFKSA-N 0 0 392.521 3.813 10 30 GHEERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CCCN(c3ccccc3)CC1)C2 ZINC000329268687 834680719 /nfs/dbraw/zinc/68/07/19/834680719.db2.gz IELYDDQMMQJWTD-GOSISDBHSA-N 0 0 395.551 3.622 10 30 GHEERN CC(=O)Nc1ccc(S[C@H](C)C(=O)N2C[C@@H]3CCCCN3C[C@@H]2C)cc1 ZINC000329677968 835660122 /nfs/dbraw/zinc/66/01/22/835660122.db2.gz WVTZYQVIPICNOC-DAYGRLMNSA-N 0 0 375.538 3.860 10 30 GHEERN COc1cc(C(=O)/C=C\c2ccc3c(c2)sc(=O)n3C)cc(OC)c1OC ZINC000588590196 835793308 /nfs/dbraw/zinc/79/33/08/835793308.db2.gz HDYKXEQXYVPKMH-VURMDHGXSA-N 0 0 385.441 3.522 10 30 GHEERN Cc1cnc(CCNC(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)nc1 ZINC000328647484 836538725 /nfs/dbraw/zinc/53/87/25/836538725.db2.gz HYZMLZMEFDQUNB-QFBILLFUSA-N 0 0 386.293 3.951 10 30 GHEERN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F)CC2 ZINC000330156775 838077696 /nfs/dbraw/zinc/07/76/96/838077696.db2.gz PAXVLMIZRCHEMU-XUWVNRHRSA-N 0 0 392.462 3.521 10 30 GHEERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCO[C@@H](c2nccs2)C1 ZINC000330122425 839681455 /nfs/dbraw/zinc/68/14/55/839681455.db2.gz KILLIBDYEJTZSK-RWMBFGLXSA-N 0 0 377.432 3.799 10 30 GHEERN Cc1nc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)cs1 ZINC000328781941 841381234 /nfs/dbraw/zinc/38/12/34/841381234.db2.gz JOAPISCIWFWSMI-XHDPSFHLSA-N 0 0 387.461 3.503 10 30 GHEERN C[C@@H]1CN(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)C[C@H](c2ccccc2)O1 ZINC000329257184 861209804 /nfs/dbraw/zinc/20/98/04/861209804.db2.gz DWSKFINURXCBCD-BHIYHBOVSA-N 0 0 396.535 3.871 10 30 GHEERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC([O-])=[NH+]c1ccc3c(c1)OC(C)(C)O3)C2 ZINC000329288234 861248138 /nfs/dbraw/zinc/24/81/38/861248138.db2.gz PVYCTKQABWPILD-CQSZACIVSA-N 0 0 384.480 3.838 10 30 GHEERN COc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000328867609 842721043 /nfs/dbraw/zinc/72/10/43/842721043.db2.gz OGPHYIYKDFSCED-OAQYLSRUSA-N 0 0 399.535 3.711 10 30 GHEERN N#Cc1ccc(-c2csc(=Nc3ccccn3)n2N=Cc2ccccn2)cc1 ZINC000588458200 843545839 /nfs/dbraw/zinc/54/58/39/843545839.db2.gz AYZDTDIUZQMYKG-UHFFFAOYSA-N 0 0 382.452 3.993 10 30 GHEERN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000329496912 861540877 /nfs/dbraw/zinc/54/08/77/861540877.db2.gz JETBTAATGXPHNB-UHOFOFEASA-N 0 0 381.542 3.910 10 30 GHEERN N#CCC[C@@H](NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccccc1 ZINC000151390699 845184024 /nfs/dbraw/zinc/18/40/24/845184024.db2.gz SHVNLFOLKQVAHG-OAQYLSRUSA-N 0 0 396.535 3.856 10 30 GHEERN COc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000329046963 846987721 /nfs/dbraw/zinc/98/77/21/846987721.db2.gz QCVHPFZNIFEOJA-NRFANRHFSA-N 0 0 399.535 3.854 10 30 GHEERN CC(C)Oc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1C#N ZINC000178663057 848326619 /nfs/dbraw/zinc/32/66/19/848326619.db2.gz XGCAAXMEQCFECK-UHFFFAOYSA-N 0 0 397.500 3.898 10 30 GHEERN Cc1noc([C@@H]2CCN(C(=O)N[C@H]3CCc4cc(Br)ccc43)C2)n1 ZINC000329132102 849815821 /nfs/dbraw/zinc/81/58/21/849815821.db2.gz PBAKWYKYHZDXBZ-DOMZBBRYSA-N 0 0 391.269 3.531 10 30 GHEERN CC(C)c1nnc([C@@H]2CN(C(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)CCO2)o1 ZINC000329895028 862403484 /nfs/dbraw/zinc/40/34/84/862403484.db2.gz BRZXWGHGZNCXDG-UPJWGTAASA-N 0 0 390.406 3.601 10 30 GHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000330039954 862525598 /nfs/dbraw/zinc/52/55/98/862525598.db2.gz BZXAYPXPSVAWJP-FSPWUOQZSA-N 0 0 381.436 3.514 10 30 GHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1)CCC2 ZINC000328659223 854493357 /nfs/dbraw/zinc/49/33/57/854493357.db2.gz SIHHAKQDGXSGIO-NLWGTHIKSA-N 0 0 380.492 3.635 10 30 GHEERN CCc1csc([C@@H]2CCCN(C(=O)NC[C@@H]3CCCn4cc(C)nc43)C2)n1 ZINC000328735429 854542220 /nfs/dbraw/zinc/54/22/20/854542220.db2.gz ZBLVXMFNVKUOAQ-JKSUJKDBSA-N 0 0 387.553 3.881 10 30 GHEERN CN1CCO[C@H]2CCN(C(=O)Nc3ccc(OC4CCCC4)c(Cl)c3)C[C@@H]21 ZINC000328966200 854635910 /nfs/dbraw/zinc/63/59/10/854635910.db2.gz SOFWGXXRMDKQDZ-HKUYNNGSSA-N 0 0 393.915 3.612 10 30 GHEERN N#Cc1cccnc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000105835876 855146038 /nfs/dbraw/zinc/14/60/38/855146038.db2.gz BSXXUWJTOZKXQO-UHFFFAOYSA-N 0 0 389.286 3.541 10 30 GHEERN Cc1ccc([C@@H]2CN(C(=O)c3ccc(COc4ccccc4C#N)o3)CCO2)o1 ZINC000133742895 862672304 /nfs/dbraw/zinc/67/23/04/862672304.db2.gz ZCHZXINCHDPHET-NRFANRHFSA-N 0 0 392.411 3.845 10 30 GHEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cn1 ZINC000330282297 862721168 /nfs/dbraw/zinc/72/11/68/862721168.db2.gz ANEIYLICJSKWDW-FFZOFVMBSA-N 0 0 396.491 3.507 10 30 GHEERN N#Cc1ccc(-c2nnc(CN3CCC(Nc4ccccc4F)CC3)o2)cc1 ZINC000173536148 856981962 /nfs/dbraw/zinc/98/19/62/856981962.db2.gz NQSFTQZQZWQKJX-UHFFFAOYSA-N 0 0 377.423 3.824 10 30 GHEERN CN1CCN(C(=O)NCc2ccc(C(C)(C)C)cc2)C[C@H]1c1nc(C2CC2)no1 ZINC000329142524 861062350 /nfs/dbraw/zinc/06/23/50/861062350.db2.gz VAEDUEDOHNORRB-SFHVURJKSA-N 0 0 397.523 3.647 10 30 GHEERN C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCn2c(nnc2C2CC2)C1 ZINC000329173655 861101745 /nfs/dbraw/zinc/10/17/45/861101745.db2.gz LPIOWHJOXMRSDW-LLVKDONJSA-N 0 0 379.386 3.667 10 30 GHEERN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174071068 882421100 /nfs/dbraw/zinc/42/11/00/882421100.db2.gz QMUHNZMBYWRQNX-UHFFFAOYSA-N 0 0 397.498 3.588 10 30 GHEERN C=CCOc1ccc(C(=O)OC[C@H]2CCCN(C(=O)c3ccc(C)o3)C2)cc1 ZINC000102142034 872639151 /nfs/dbraw/zinc/63/91/51/872639151.db2.gz ICLPVOPNXJBBBU-KRWDZBQOSA-N 0 0 383.444 3.862 10 30 GHEERN N#CCOc1ccc(/C=C/C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000185971452 883611121 /nfs/dbraw/zinc/61/11/21/883611121.db2.gz ACOCOMDIRNBISB-AQDCRGGLSA-N 0 0 382.847 3.856 10 30 GHEERN Cc1oc(NC(=O)[C@@H](C)N2CC3(CCOCC3)c3ccccc32)c(C#N)c1C ZINC000192282579 892341687 /nfs/dbraw/zinc/34/16/87/892341687.db2.gz ODIAHHRKAPGBDF-OAHLLOKOSA-N 0 0 379.460 3.664 10 30 GHEERN CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000027533086 520530093 /nfs/dbraw/zinc/53/00/93/520530093.db2.gz SIQYREDKOXZCGX-XLIONFOSSA-N 0 0 389.451 3.935 10 30 GHEERN CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1 ZINC000027533088 520530294 /nfs/dbraw/zinc/53/02/94/520530294.db2.gz SIQYREDKOXZCGX-YLJYHZDGSA-N 0 0 389.451 3.935 10 30 GHEERN CCOc1ncccc1C(=O)N1CCCS/C1=N\c1ccc(C(C)=O)cc1 ZINC000101620625 521611889 /nfs/dbraw/zinc/61/18/89/521611889.db2.gz ZCRITCTXNDCQFF-XDOYNYLZSA-N 0 0 383.473 3.950 10 30 GHEERN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccs2)cc1 ZINC000103228969 523371653 /nfs/dbraw/zinc/37/16/53/523371653.db2.gz IBOLRUMRWXPPKV-VZCCSQPZSA-N 0 0 395.436 3.972 10 30 GHEERN Oc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)c(O)c1 ZINC000031904198 526339586 /nfs/dbraw/zinc/33/95/86/526339586.db2.gz DUSDEWPPKAQRPK-LSCVHKIXSA-N 0 0 390.262 3.852 10 30 GHEERN C=CCc1cc(OC)c(O[C@@H](C)[C@@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000013311360 574413077 /nfs/dbraw/zinc/41/30/77/574413077.db2.gz IQBXVNSNERBTIG-LHSJRXKWSA-N 0 0 388.460 3.950 10 30 endogenous,in-man GHEERN COc1cccc(C(=O)/C(=C\c2ccc3c(c2)sc(=O)n3C)c2ncc[nH]2)c1 ZINC000588598713 834541206 /nfs/dbraw/zinc/54/12/06/834541206.db2.gz WDPBZLRWHVNSEL-MHWRWJLKSA-N 0 0 391.452 3.755 10 30 GHEERN C[C@@H]1CC[C@@H](NC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)c2ccccc21 ZINC000329823963 834668751 /nfs/dbraw/zinc/66/87/51/834668751.db2.gz QNGAVFDNDWRTAV-VQIMIIECSA-N 0 0 390.549 3.972 10 30 GHEERN O=C(NCc1cc(F)cc2c1OCOC2)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000329425150 835017178 /nfs/dbraw/zinc/01/71/78/835017178.db2.gz FTHOTXUKTUJCIB-SFHVURJKSA-N 0 0 399.422 3.510 10 30 GHEERN CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])NC[C@@H]1CCCC[C@H]1C(F)(F)F)CC2 ZINC000329512157 835172769 /nfs/dbraw/zinc/17/27/69/835172769.db2.gz NKESYVGZQATYQR-BFHYXJOUSA-N 0 0 387.450 3.589 10 30 GHEERN CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])NC[C@@H]1CCCC[C@@H]1C(F)(F)F)CC2 ZINC000329512158 835172845 /nfs/dbraw/zinc/17/28/45/835172845.db2.gz NKESYVGZQATYQR-MJBXVCDLSA-N 0 0 387.450 3.589 10 30 GHEERN Cn1c(=O)sc2cc(/C=C\C(=O)c3ccc(N4CCCC4=O)cc3)ccc21 ZINC000588590236 835787767 /nfs/dbraw/zinc/78/77/67/835787767.db2.gz SIWWSYBIWWRSMK-WZUFQYTHSA-N 0 0 378.453 3.623 10 30 GHEERN CC(C)c1nnc([C@H]2CN(C(=O)NC3CCC(C(F)(F)F)CC3)CCO2)o1 ZINC000329955412 836326516 /nfs/dbraw/zinc/32/65/16/836326516.db2.gz PBNDGNVJNSTVLW-WXRRBKDZSA-N 0 0 390.406 3.601 10 30 GHEERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000328598428 836503054 /nfs/dbraw/zinc/50/30/54/836503054.db2.gz BDFDPRNYNDDITL-SQWLQELKSA-N 0 0 389.462 3.935 10 30 GHEERN Cc1nc([C@H](C)NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cs1 ZINC000328639319 836515553 /nfs/dbraw/zinc/51/55/53/836515553.db2.gz BYDTXHRFPDJJTJ-GUYCJALGSA-N 0 0 393.534 3.631 10 30 GHEERN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NC1CC(c3cccc(Cl)c3)C1)CC2 ZINC000330068852 839148432 /nfs/dbraw/zinc/14/84/32/839148432.db2.gz GRHOPOFEYQTOHD-SOTJZCEJSA-N 0 0 392.927 3.752 10 30 GHEERN C[C@@H]1CN(C(=O)NC2CC(c3cccc(Cl)c3)C2)C[C@@]2(CCCOC2)O1 ZINC000330092400 839381869 /nfs/dbraw/zinc/38/18/69/839381869.db2.gz YPHXWMXJKDKSHS-QJIUNDOVSA-N 0 0 378.900 3.770 10 30 GHEERN CN(C(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@H]1CCCN(c2cccnn2)C1 ZINC000330097612 839446908 /nfs/dbraw/zinc/44/69/08/839446908.db2.gz AZGQHPMBPOEOLQ-JYJNAYRXSA-N 0 0 399.461 3.660 10 30 GHEERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(C)c(N3CCNC3=O)c2)cs1 ZINC000330228172 840301038 /nfs/dbraw/zinc/30/10/38/840301038.db2.gz VFYHXJPDAINFEU-INIZCTEOSA-N 0 0 385.493 3.877 10 30 GHEERN Cc1nc(C[C@H]2CCCN(c3cc(C)c(C#N)c4nc5ccccc5n43)C2)no1 ZINC000301165756 841137851 /nfs/dbraw/zinc/13/78/51/841137851.db2.gz CSAJEJYARITRBH-MRXNPFEDSA-N 0 0 386.459 3.818 10 30 GHEERN C[C@@H]1CN(Cc2ccccc2CNC(=O)C[C@@H]2CCCCNC2=O)C[C@H](C)O1 ZINC000329247566 861198356 /nfs/dbraw/zinc/19/83/56/861198356.db2.gz RWQZGDVIQWFNAG-KSZLIROESA-N 0 0 387.524 3.899 10 30 GHEERN O=C(C[C@H]1CCCCC(=O)N1)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1 ZINC000329351576 861316201 /nfs/dbraw/zinc/31/62/01/861316201.db2.gz XFNQVJZBOATIGG-HUUCEWRRSA-N 0 0 379.457 3.604 10 30 GHEERN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC4(CCC4)c4ccccc43)C2)n1 ZINC000408337848 842571813 /nfs/dbraw/zinc/57/18/13/842571813.db2.gz DKOYLHCXPBVIEL-LJQANCHMSA-N 0 0 386.499 3.947 10 30 GHEERN Cn1cc([C@@H]2CCCN2C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cn1 ZINC000328933702 842946876 /nfs/dbraw/zinc/94/68/76/842946876.db2.gz DXOQVAFYWGTJPZ-QPRVAFDKSA-N 0 0 384.524 3.647 10 30 GHEERN CC(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC12CCCCC2 ZINC000328944894 843057839 /nfs/dbraw/zinc/05/78/39/843057839.db2.gz GCVZUEODOSEUBQ-HZPDHXFCSA-N 0 0 389.462 3.889 10 30 GHEERN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000329496913 861540205 /nfs/dbraw/zinc/54/02/05/861540205.db2.gz JETBTAATGXPHNB-VBNZEHGJSA-N 0 0 381.542 3.910 10 30 GHEERN Cc1nnc([C@H](NCc2cccn2Cc2ccccc2C#N)c2ccccc2)[nH]1 ZINC000187813018 848304667 /nfs/dbraw/zinc/30/46/67/848304667.db2.gz CZDCUMHGEYDKIO-JOCHJYFZSA-N 0 0 382.471 3.714 10 30 GHEERN Cc1c(NC(=O)/C=C/c2ccc(OCC#N)cc2)cnn1-c1ccccc1F ZINC000153421345 848482910 /nfs/dbraw/zinc/48/29/10/848482910.db2.gz FYNHBICCGSCNSY-DHZHZOJOSA-N 0 0 376.391 3.874 10 30 GHEERN CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCCN(c2ccc(C)nn2)C1 ZINC000329675127 862006792 /nfs/dbraw/zinc/00/67/92/862006792.db2.gz OXGRRBUVHVIWCE-CQSZACIVSA-N 0 0 393.944 3.905 10 30 GHEERN Cc1ccccc1C1(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)CCOCC1 ZINC000329852156 862373583 /nfs/dbraw/zinc/37/35/83/862373583.db2.gz RGYSBPSRXPXNSV-KRWDZBQOSA-N 0 0 382.508 3.730 10 30 GHEERN Cc1cc(N2C[C@@H](C(=O)N[C@H]3CCCO[C@@H]3c3ccncc3)CC2=O)ccc1F ZINC000328658120 854492259 /nfs/dbraw/zinc/49/22/59/854492259.db2.gz QLPNPWBUIUJMQN-NBHGPNQESA-N 0 0 397.450 3.759 10 30 GHEERN O=C(C[C@@H]1Sc2ccccc2NC1=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000328696115 854512595 /nfs/dbraw/zinc/51/25/95/854512595.db2.gz KTOQXKYTNQUOAO-OWQGQXMQSA-N 0 0 390.505 3.663 10 30 GHEERN Cc1ccccc1C1(CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CCOCC1 ZINC000330114385 862584618 /nfs/dbraw/zinc/58/46/18/862584618.db2.gz DTLLREIJQPUVJD-YLJYHZDGSA-N 0 0 383.492 3.511 10 30 GHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1cc(N2CCCC2=O)ccc1Cl ZINC000330143461 862611060 /nfs/dbraw/zinc/61/10/60/862611060.db2.gz REMUXWUPFRIZMH-FZKQIMNGSA-N 0 0 388.855 3.566 10 30 GHEERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1C[C@@H](c3ccccc3)[C@H](C#N)C1)C2 ZINC000330190757 862649267 /nfs/dbraw/zinc/64/92/67/862649267.db2.gz MPWXILFGOMGWQW-QRVBRYPASA-N 0 0 391.519 3.649 10 30 GHEERN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)N[C@@H]1CCO[C@@H]1C ZINC000330273003 862711249 /nfs/dbraw/zinc/71/12/49/862711249.db2.gz YNTUCEBJVCOMIZ-DFBGVHRSSA-N 0 0 383.286 3.686 10 30 GHEERN COc1cc(C#N)ccc1OCCCC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171614020 856204939 /nfs/dbraw/zinc/20/49/39/856204939.db2.gz IRIZQWZICJKHEU-UHFFFAOYSA-N 0 0 393.487 3.602 10 30 GHEERN Cn1nccc1[C@@H]1[C@H](C(=O)N[C@H]2CCc3ccccc32)CCC(=O)N1C1CC1 ZINC000330313193 862860552 /nfs/dbraw/zinc/86/05/52/862860552.db2.gz WZCWZCWZQULTIU-LQWHRVPQSA-N 0 0 378.476 3.506 10 30 GHEERN Cc1c(Cl)cnc(N2CC[C@H](Oc3cccnc3N3CCCC3)C2)c1C#N ZINC000329433176 860359978 /nfs/dbraw/zinc/35/99/78/860359978.db2.gz ICQHJVZQWNNFFI-HNNXBMFYSA-N 0 0 383.883 3.568 10 30 GHEERN CCn1cc(NC(=O)C2CCN(c3cc(C#N)ccc3C(F)(F)F)CC2)cn1 ZINC000125456291 860674021 /nfs/dbraw/zinc/67/40/21/860674021.db2.gz BJTXGHIYXMSVMD-UHFFFAOYSA-N 0 0 391.397 3.649 10 30 GHEERN CN1CCO[C@H]2CCN(C(=O)Nc3cc(F)ccc3Oc3ccccc3)C[C@@H]21 ZINC000329012184 860946888 /nfs/dbraw/zinc/94/68/88/860946888.db2.gz IOJRNQQYFVXYKC-ICSRJNTNSA-N 0 0 385.439 3.568 10 30 GHEERN CC(C)n1cc([C@@H]2CN(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)C[C@H]2CO)cn1 ZINC000329033531 860963414 /nfs/dbraw/zinc/96/34/14/860963414.db2.gz MBCKDBQMYPXURN-NXIXHYNASA-N 0 0 388.556 3.745 10 30 GHEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1nc2ccc(Cl)cc2n1C ZINC000186013120 863723417 /nfs/dbraw/zinc/72/34/17/863723417.db2.gz USTXPIHHLXNWNB-GFCCVEGCSA-N 0 0 377.839 3.852 10 30 GHEERN COc1ccc([C@@H](C)Nc2cnn(-c3ncccc3C#N)c2)cc1Cn1cccn1 ZINC000186019912 864067452 /nfs/dbraw/zinc/06/74/52/864067452.db2.gz PCTUANLUPMGCJG-MRXNPFEDSA-N 0 0 399.458 3.565 10 30 GHEERN CC[C@@]1(c2ccc(N[C@@H](C)c3ccc(OCC#N)cc3)cc2)CCC(=O)NC1=O ZINC000182748566 883234735 /nfs/dbraw/zinc/23/47/35/883234735.db2.gz XLPXEDZHVQRVDR-HJPURHCSSA-N 0 0 391.471 3.846 10 30 GHEERN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000184340134 883344765 /nfs/dbraw/zinc/34/47/65/883344765.db2.gz GCBGGPQLMJSASF-DLBZAZTESA-N 0 0 392.459 3.860 10 30 GHEERN CCCC(=O)NCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000102757485 884413011 /nfs/dbraw/zinc/41/30/11/884413011.db2.gz SLNUOOCIGXRISI-UHFFFAOYSA-N 0 0 385.851 3.645 10 30 GHEERN CCOc1ccccc1CCC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104485635 885466273 /nfs/dbraw/zinc/46/62/73/885466273.db2.gz WOOGVISPTDVMNQ-UHFFFAOYSA-N 0 0 378.472 3.960 10 30 GHEERN C#Cc1cccc(N(C)C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000103102219 898066987 /nfs/dbraw/zinc/06/69/87/898066987.db2.gz UCOHEYSJHHCHPY-WMLDXEAASA-N 0 0 392.455 3.556 10 30 GHEERN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000103798897 909248016 /nfs/dbraw/zinc/24/80/16/909248016.db2.gz VKKMZGYTGMZLGZ-MRXNPFEDSA-N 0 0 391.402 3.976 10 30 GHEERN COc1cccc(/C=N\c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1O ZINC000005791837 525778384 /nfs/dbraw/zinc/77/83/84/525778384.db2.gz CPTBYGMHGNFQMT-STZFKDTASA-N 0 0 388.489 3.572 10 30 GHEERN C/C(=N/OCC(=O)N[C@H]1CCCC[C@H]1C)c1nc2ccccc2n1C(F)F ZINC000096935743 527536701 /nfs/dbraw/zinc/53/67/01/527536701.db2.gz JLPYTQIWROQDPN-DYPFPRJCSA-N 0 0 378.423 3.867 10 30 GHEERN N#C[C@H](C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc(F)cn1 ZINC000170649843 570984727 /nfs/dbraw/zinc/98/47/27/570984727.db2.gz KCWFLEYJEIHXGU-LBPRGKRZSA-N 0 0 376.269 3.780 10 30 GHEERN