smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1NNC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737435923 945069073 /nfs/dbraw/zinc/06/90/73/945069073.db2.gz NXPOVJDBWNERJX-UHFFFAOYSA-N 0 0 386.415 3.724 20 50 GHGDRN COc1ccc(C=C(C#N)c2nc3cc(F)ccc3s2)cc1-c1nn[nH]n1 ZINC000737077104 944947721 /nfs/dbraw/zinc/94/77/21/944947721.db2.gz RNHAVOHMRCQYNC-WDZFZDKYSA-N 0 0 378.392 3.688 20 50 GHGDRN C[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1cccc(-c2nn[nH]n2)c1 ZINC000820321170 945414123 /nfs/dbraw/zinc/41/41/23/945414123.db2.gz BWTOMDQZBAEFTA-IUODEOHRSA-N 0 0 377.539 3.758 20 50 GHGDRN Cc1c(NC(=O)NN(Cc2ccccc2)c2ccccc2)cccc1-c1nn[nH]n1 ZINC000822105867 945962360 /nfs/dbraw/zinc/96/23/60/945962360.db2.gz XQMVDQSRRFGEHC-UHFFFAOYSA-N 0 0 399.458 3.918 20 50 GHGDRN N#CC(=Cc1cc(-c2nn[nH]n2)cs1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000822795636 946174067 /nfs/dbraw/zinc/17/40/67/946174067.db2.gz DTCBASZKDTXGCK-FPYGCLRLSA-N 0 0 391.243 3.781 20 50 GHGDRN C[C@@]([NH2+]CCP(=O)(c1ccccc1)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC001589128416 956180155 /nfs/dbraw/zinc/18/01/55/956180155.db2.gz IPSBQJZCXDJWJH-QHCPKHFHSA-N 0 0 393.423 3.590 20 50 GHGDRN C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001594376285 999419142 /nfs/dbraw/zinc/41/91/42/999419142.db2.gz JDRABHMYTFIYCX-MRXNPFEDSA-N 0 0 396.491 3.586 20 50 GHGDRN Cc1ccc(Nc2ccccc2C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826291862 607731538 /nfs/dbraw/zinc/73/15/38/607731538.db2.gz ZDQDVNLECKDODU-UHFFFAOYSA-N 0 0 385.431 3.676 20 50 GHGDRN N#CC(=Cc1ccccc1-c1nn[nH]n1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000826379483 607883551 /nfs/dbraw/zinc/88/35/51/607883551.db2.gz SQORIGGNALGWIQ-YRNVUSSQSA-N 0 0 385.214 3.719 20 50 GHGDRN N#CC(=Cc1ccccc1-c1nn[nH]n1)C(=O)Nc1c(Cl)cccc1Cl ZINC000826378874 607883563 /nfs/dbraw/zinc/88/35/63/607883563.db2.gz CLKHWYXDDGRCGD-FLIBITNWSA-N 0 0 385.214 3.719 20 50 GHGDRN Cc1cc(C)c(C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)c(C)c1 ZINC000826263378 608074823 /nfs/dbraw/zinc/07/48/23/608074823.db2.gz XXBIJRPADHITFC-UHFFFAOYSA-N 0 0 390.369 3.568 20 50 GHGDRN CCCCn1nc(C)c(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)c1Cl ZINC000825302068 608214392 /nfs/dbraw/zinc/21/43/92/608214392.db2.gz VKFYSCBSOZQKKK-XNTDXEJSSA-N 0 0 395.854 3.615 20 50 GHGDRN N#CC(=Cc1ncc(-c2ccccc2)s1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379600 608215942 /nfs/dbraw/zinc/21/59/42/608215942.db2.gz WNJNFUNFZJPULD-YBEGLDIGSA-N 0 0 384.424 3.780 20 50 GHGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1ccc(CCC(F)(F)F)cc1 ZINC000826447891 608814926 /nfs/dbraw/zinc/81/49/26/608814926.db2.gz AHBQWIZFOWASIX-UHFFFAOYSA-N 0 0 391.357 3.510 20 50 GHGDRN CCN(C(=O)[C@H](Br)C(C)(C)C)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825362237 609268891 /nfs/dbraw/zinc/26/88/91/609268891.db2.gz KJTNPDMRPKNILR-FZMZJTMJSA-N 0 0 394.317 3.586 20 50 GHGDRN CC[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000820843344 945569475 /nfs/dbraw/zinc/56/94/75/945569475.db2.gz WRQRMNRVGCATLY-ZDUSSCGKSA-N 0 0 390.369 3.522 20 50 GHGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)Nc1cccc2ccccc21 ZINC000822796700 946187017 /nfs/dbraw/zinc/18/70/17/946187017.db2.gz WGJKYNASJUAJJY-YBEGLDIGSA-N 0 0 384.374 3.705 20 50 GHGDRN O=C(NN=Cc1ccc(-c2nn[nH]n2)s1)Nc1ccc(-c2ccccc2)cc1 ZINC000823273411 946379934 /nfs/dbraw/zinc/37/99/34/946379934.db2.gz MKFDHHKMBLVJLF-UHFFFAOYSA-N 0 0 389.444 3.751 20 50 GHGDRN CC(C)(C)C(C)(C)CNC(=O)NNc1ccc(-c2nn[nH]n2)cc1C(F)(F)F ZINC001573806525 949493776 /nfs/dbraw/zinc/49/37/76/949493776.db2.gz SAWCGIZZIOPUGW-UHFFFAOYSA-N 0 0 399.421 3.584 20 50 GHGDRN O=C(CC1CCC(c2ccccc2)CC1)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826404235 607343578 /nfs/dbraw/zinc/34/35/78/607343578.db2.gz TYYVDPOLUZMVAJ-UHFFFAOYSA-N 0 0 376.464 3.674 20 50 GHGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1occc1CSc1ccccc1 ZINC000826447594 607347386 /nfs/dbraw/zinc/34/73/86/607347386.db2.gz MREPLYQOLKLIOJ-UHFFFAOYSA-N 0 0 392.444 3.509 20 50 GHGDRN COc1ccc(COC(=O)CCCC[C@@H]2CCSS2)cc1-c1nn[nH]n1 ZINC000826205298 607597547 /nfs/dbraw/zinc/59/75/47/607597547.db2.gz RFEZAGKPHAJRTN-CYBMUJFWSA-N 0 0 394.522 3.633 20 50 GHGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccccc1SCc1ccco1 ZINC000826448961 607732442 /nfs/dbraw/zinc/73/24/42/607732442.db2.gz VERAWCATQKJHME-UHFFFAOYSA-N 0 0 392.444 3.509 20 50 GHGDRN N#CC(=Cc1ccc(F)c(-c2nn[nH]n2)c1)c1nc(-c2ccncc2)cs1 ZINC000826378891 607916968 /nfs/dbraw/zinc/91/69/68/607916968.db2.gz CXRSETPYWVXVLO-QPEQYQDCSA-N 0 0 375.392 3.588 20 50 GHGDRN N#CC(=Cc1cccc(OC(F)(F)F)c1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379687 608217663 /nfs/dbraw/zinc/21/76/63/608217663.db2.gz YSKFUEUIXBKYQW-VGOFMYFVSA-N 0 0 385.305 3.555 20 50 GHGDRN CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccc(SC(C)C)cc1 ZINC000735447128 944655976 /nfs/dbraw/zinc/65/59/76/944655976.db2.gz JFSKQQUWKDZPLH-UHFFFAOYSA-N 0 0 380.477 3.521 20 50 GHGDRN N#CC(=Cc1cc(-c2nn[nH]n2)cs1)C(=O)Nc1cccc(Cl)c1Cl ZINC000822795945 946179819 /nfs/dbraw/zinc/17/98/19/946179819.db2.gz JFSDVLUKIWFJQS-XBXARRHUSA-N 0 0 391.243 3.781 20 50 GHGDRN O=C(CCCC[C@@H]1CCSS1)OCc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000822955408 946233105 /nfs/dbraw/zinc/23/31/05/946233105.db2.gz UDULSIWJMSANAJ-GFCCVEGCSA-N 0 0 382.486 3.763 20 50 GHGDRN C[C@H](C[NH+]1CCCCCC1)C(=O)NN=Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001592616560 978579854 /nfs/dbraw/zinc/57/98/54/978579854.db2.gz VYUAZFNYFUDBFJ-MRXNPFEDSA-N 0 0 397.475 3.607 20 50 GHGDRN C[C@@H]([NH2+]C1(CNC(=O)NNc2cccc(C(=O)[O-])c2)CCCC1)c1ccccc1 ZINC001593210199 994243905 /nfs/dbraw/zinc/24/39/05/994243905.db2.gz NRMVBJKIKCTIRJ-MRXNPFEDSA-N 0 0 396.491 3.675 20 50 GHGDRN CCC(CC)(C(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)cc1 ZINC000825089487 607350122 /nfs/dbraw/zinc/35/01/22/607350122.db2.gz GTRLWQJIARLMHN-UHFFFAOYSA-N 0 0 384.871 3.721 20 50 GHGDRN O=C(CC1CCC(c2ccccc2)CC1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826404116 607717818 /nfs/dbraw/zinc/71/78/18/607717818.db2.gz OORXWRGIAOFEEF-UHFFFAOYSA-N 0 0 376.464 3.674 20 50 GHGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc(Cl)ccc1OC1CCCC1 ZINC000826448588 607721959 /nfs/dbraw/zinc/72/19/59/607721959.db2.gz BMBBWOHRCFSVRE-UHFFFAOYSA-N 0 0 398.854 3.598 20 50 GHGDRN C[C@H](CC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000824385078 607727687 /nfs/dbraw/zinc/72/76/87/607727687.db2.gz LEQBDNBDEFIFDO-LLVKDONJSA-N 0 0 390.369 3.522 20 50 GHGDRN O=C(C[C@H](Cc1ccccc1)c1ccccc1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826404353 607728064 /nfs/dbraw/zinc/72/80/64/607728064.db2.gz XDFOYLANXHIWRX-FQEVSTJZSA-N 0 0 398.470 3.726 20 50 GHGDRN O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(-c2nn[nH]n2)s1 ZINC000823280749 606488113 /nfs/dbraw/zinc/48/81/13/606488113.db2.gz FRFAGCNATVCGSN-UHFFFAOYSA-N 0 0 389.655 3.645 20 50 GHGDRN O=C(NNc1ccccc1)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826449195 608078746 /nfs/dbraw/zinc/07/87/46/608078746.db2.gz GLBUJUGMUXCAJB-UHFFFAOYSA-N 0 0 387.403 3.808 20 50 GHGDRN N#CC(=Cc1cccc(OC2CCCC2)c1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826378808 608215310 /nfs/dbraw/zinc/21/53/10/608215310.db2.gz ATIFQAWCPMGLSZ-WQRHYEAKSA-N 0 0 385.427 3.978 20 50 GHGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1ccccc1CCC(F)(F)F ZINC000826448548 608818533 /nfs/dbraw/zinc/81/85/33/608818533.db2.gz ZHTZXZVIOYGNNM-UHFFFAOYSA-N 0 0 391.357 3.510 20 50 GHGDRN CC(C)(C)c1ccc(C(=O)C(C#N)=Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000735649160 944684220 /nfs/dbraw/zinc/68/42/20/944684220.db2.gz YHBHRTDERQTUOU-MHWRWJLKSA-N 0 0 397.442 3.602 20 50 GHGDRN Cc1cccc(NNC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)c1 ZINC000737400239 945056699 /nfs/dbraw/zinc/05/66/99/945056699.db2.gz QRVXYSQMPNFWGJ-UHFFFAOYSA-N 0 0 386.415 3.724 20 50 GHGDRN CC(C)c1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)cc1 ZINC000820187818 945371105 /nfs/dbraw/zinc/37/11/05/945371105.db2.gz UENOHUUJMYELMW-UHFFFAOYSA-N 0 0 390.369 3.766 20 50 GHGDRN CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821476670 945704896 /nfs/dbraw/zinc/70/48/96/945704896.db2.gz QUEDNMCILFBOHG-UHFFFAOYSA-N 0 0 392.488 3.746 20 50 GHGDRN Cc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)ccc1Cl ZINC000822176302 945968505 /nfs/dbraw/zinc/96/85/05/945968505.db2.gz IJUQRDCLBOLXOR-UHFFFAOYSA-N 0 0 396.760 3.604 20 50 GHGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)s1)C(=O)c1c[nH]c2cc(Cl)ccc21 ZINC000822796740 946187597 /nfs/dbraw/zinc/18/75/97/946187597.db2.gz XFPDZFKAGFOJBA-WEVVVXLNSA-N 0 0 380.820 3.853 20 50 GHGDRN O=C(CCn1c2ccccc2c2ccccc21)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826409936 607336063 /nfs/dbraw/zinc/33/60/63/607336063.db2.gz VEHVJGPZFIYSRE-UHFFFAOYSA-N 0 0 397.442 3.508 20 50 GHGDRN C=CCOc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cc1Cl ZINC000823932426 608213157 /nfs/dbraw/zinc/21/31/57/608213157.db2.gz XUXSZODLOHNWCG-CXUHLZMHSA-N 0 0 391.818 3.875 20 50 GHGDRN Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)c(OC(F)F)cc1C ZINC000826266141 608214897 /nfs/dbraw/zinc/21/48/97/608214897.db2.gz DDIZBPNIHNOVQO-CXUHLZMHSA-N 0 0 395.369 3.875 20 50 GHGDRN CCCCCn1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c2ccccc21 ZINC000825276039 609259781 /nfs/dbraw/zinc/25/97/81/609259781.db2.gz NLUUZRNWIHZHPB-UHFFFAOYSA-N 0 0 389.463 3.769 20 50 GHGDRN CCCCc1ccc(NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000821077531 945630411 /nfs/dbraw/zinc/63/04/11/945630411.db2.gz KDVLQAXNGNAIRV-ZROIWOOFSA-N 0 0 378.461 3.816 20 50 GHGDRN CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)cc1F ZINC000821492291 945709116 /nfs/dbraw/zinc/70/91/16/945709116.db2.gz KOABFPFHFCGYHJ-YVLHZVERSA-N 0 0 390.422 3.676 20 50 GHGDRN C[C@H](NC(=O)NNc1ccccc1)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824505469 946748813 /nfs/dbraw/zinc/74/88/13/946748813.db2.gz DMTLIQPOVUYIHD-HNNXBMFYSA-N 0 0 399.458 3.921 20 50 GHGDRN CC[C@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000825039763 607727584 /nfs/dbraw/zinc/72/75/84/607727584.db2.gz VUTOZOHFKRLJEE-HNNXBMFYSA-N 0 0 390.369 3.522 20 50 GHGDRN C[C@@]1([NH2+]CCP(=O)(c2ccccc2)c2ccccc2)CCCC[C@@H]1C(=O)[O-] ZINC000833569117 605068982 /nfs/dbraw/zinc/06/89/82/605068982.db2.gz ISHUQFUQJWBYMZ-IFMALSPDSA-N 0 0 385.444 3.624 20 50 GHGDRN O=C(NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1sccc1C1CC1 ZINC000823280622 606129175 /nfs/dbraw/zinc/12/91/75/606129175.db2.gz DRUVZUAHPGUCPN-UHFFFAOYSA-N 0 0 394.382 3.581 20 50 GHGDRN N#CC(=Cc1ccccc1-c1nn[nH]n1)C(=O)Nc1cccc(Cl)c1Cl ZINC000826379633 607883788 /nfs/dbraw/zinc/88/37/88/607883788.db2.gz XKEPUWPROUDJMR-FLIBITNWSA-N 0 0 385.214 3.719 20 50 GHGDRN Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)c(OC(F)F)cc1C ZINC000826266142 608214852 /nfs/dbraw/zinc/21/48/52/608214852.db2.gz DDIZBPNIHNOVQO-SXGWCWSVSA-N 0 0 395.369 3.875 20 50 GHGDRN N#CC(=Cc1ccc(Br)c(F)c1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379321 608215839 /nfs/dbraw/zinc/21/58/39/608215839.db2.gz ORXJJBVIPXFSHO-MLPAPPSSSA-N 0 0 398.195 3.558 20 50 GHGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)s1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379736 608288844 /nfs/dbraw/zinc/28/88/44/608288844.db2.gz ZYSJQXJIMKCCBN-UITAMQMPSA-N 0 0 393.325 3.876 20 50 GHGDRN O=C(NNc1ccc(F)cc1)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000738137972 945249910 /nfs/dbraw/zinc/24/99/10/945249910.db2.gz VVQYCMKKNGBEKQ-UHFFFAOYSA-N 0 0 389.394 3.506 20 50 GHGDRN COc1ccc(C=C(C#N)c2nc3cc(F)ccc3s2)cc1-c1nn[nH]n1 ZINC000737077100 944948952 /nfs/dbraw/zinc/94/89/52/944948952.db2.gz RNHAVOHMRCQYNC-IZZDOVSWSA-N 0 0 378.392 3.688 20 50 GHGDRN COc1ccc(C=C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)cc1-c1nn[nH]n1 ZINC000737077180 944949302 /nfs/dbraw/zinc/94/93/02/944949302.db2.gz SJMBYXCSNWAEKT-MDWZMJQESA-N 0 0 399.332 3.684 20 50 GHGDRN Cc1ccc(F)c(NNC(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)c1 ZINC000822240100 946027408 /nfs/dbraw/zinc/02/74/08/946027408.db2.gz RWXQSRVKEKETFX-UHFFFAOYSA-N 0 0 388.406 3.738 20 50 GHGDRN CC(C)Cc1ccc([C@@H](CNC(=O)NNc2cccc(C(=O)[O-])c2)[NH+](C)C)cc1 ZINC001591484884 992614242 /nfs/dbraw/zinc/61/42/42/992614242.db2.gz WBZZYJPUFZQCDC-HXUWFJFHSA-N 0 0 398.507 3.512 20 50 GHGDRN Cc1ccc(Cl)cc1C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000826289316 607807237 /nfs/dbraw/zinc/80/72/37/607807237.db2.gz VGCDNPSPOYVHPL-UHFFFAOYSA-N 0 0 396.760 3.604 20 50 GHGDRN N#CC(=Cc1ccccc1OC(F)(F)F)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826378950 608215241 /nfs/dbraw/zinc/21/52/41/608215241.db2.gz FTVPDOBQFIUQHP-RIYZIHGNSA-N 0 0 385.305 3.555 20 50 GHGDRN Cc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)c(Br)c1 ZINC000826286056 608216696 /nfs/dbraw/zinc/21/66/96/608216696.db2.gz RCYYTSGGULPKEF-NVNXTCNLSA-N 0 0 394.232 3.728 20 50 GHGDRN COc1cc(-c2nn[nH]n2)ccc1COC(=O)CCCC[C@H]1CCSS1 ZINC000826171620 608347533 /nfs/dbraw/zinc/34/75/33/608347533.db2.gz SMWYXICJRBQXPI-AWEZNQCLSA-N 0 0 394.522 3.633 20 50 GHGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1ccc2c(c1)oc1ccccc12 ZINC000826448549 608807496 /nfs/dbraw/zinc/80/74/96/608807496.db2.gz ZNVZXOJCWQATBQ-UHFFFAOYSA-N 0 0 385.387 3.915 20 50 GHGDRN CCSc1ccc(Cl)cc1NC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825674517 608811879 /nfs/dbraw/zinc/81/18/79/608811879.db2.gz NEEYZVHMWGZARF-UHFFFAOYSA-N 0 0 389.872 3.781 20 50 GHGDRN N#CC(=Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000826379535 608880051 /nfs/dbraw/zinc/88/00/51/608880051.db2.gz UTOYNKAMVKTSCJ-GHXNOFRVSA-N 0 0 387.296 3.814 20 50 GHGDRN N#CC(=Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1nc(-c2ccccc2)cs1 ZINC000737671610 945109204 /nfs/dbraw/zinc/10/92/04/945109204.db2.gz HRKCBTDIUWFORC-OVCLIPMQSA-N 0 0 396.439 3.702 20 50 GHGDRN CC(C)C(CCc1ccc(Cl)cc1)=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820021175 945330221 /nfs/dbraw/zinc/33/02/21/945330221.db2.gz QMBQKZFEUWXRIE-UHFFFAOYSA-N 0 0 396.882 3.895 20 50 GHGDRN Cc1c(Cl)cccc1NNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000737214997 945013635 /nfs/dbraw/zinc/01/36/35/945013635.db2.gz DDVJGOSCPIDAAO-UHFFFAOYSA-N 0 0 388.863 3.534 20 50 GHGDRN CC[C@@H](C)c1ccc(NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000820882700 945584476 /nfs/dbraw/zinc/58/44/76/945584476.db2.gz XREFDGUURUNRIN-ZBQKXELDSA-N 0 0 378.461 3.987 20 50 GHGDRN CC(C)(C)[Si](C)(C)OCc1ccc(C[NH2+]C2(C(=O)[O-])CCOCC2)cc1 ZINC001590451501 990012831 /nfs/dbraw/zinc/01/28/31/990012831.db2.gz MCNXAKHXXJQHBC-UHFFFAOYSA-N 0 0 379.573 3.932 20 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N#CC(=Cc1cccc(-c2nn[nH]n2)c1)c1ccc([N+](=O)[O-])cc1Br ZINC000826379012 608229847 /nfs/dbraw/zinc/22/98/47/608229847.db2.gz HBQLOASQRBPBNN-KPKJPENVSA-N 0 0 397.192 3.602 20 50 GHGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)s1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379737 608288559 /nfs/dbraw/zinc/28/85/59/608288559.db2.gz ZYSJQXJIMKCCBN-WEVVVXLNSA-N 0 0 393.325 3.876 20 50 GHGDRN O=C(CCCC[C@H]1CCSS1)OCc1cc(F)ccc1-c1nn[nH]n1 ZINC000822955224 946233571 /nfs/dbraw/zinc/23/35/71/946233571.db2.gz MVGMSCOLSAAYHC-ZDUSSCGKSA-N 0 0 382.486 3.763 20 50 GHGDRN CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001596009305 983269792 /nfs/dbraw/zinc/26/97/92/983269792.db2.gz VALNPZDVGYMRNO-IAGOWNOFSA-N 0 0 399.466 3.515 20 50 GHGDRN CSc1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c(Cl)cc1Cl ZINC000826229921 607334339 /nfs/dbraw/zinc/33/43/39/607334339.db2.gz WUIDAGOMBNCCAW-UHFFFAOYSA-N 0 0 395.275 3.652 20 50 GHGDRN C[C@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000824384556 607348748 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GHGDRN COc1ccc(C=C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)cc1-c1nn[nH]n1 ZINC000737077177 944949185 /nfs/dbraw/zinc/94/91/85/944949185.db2.gz SJMBYXCSNWAEKT-JYRVWZFOSA-N 0 0 399.332 3.684 20 50 GHGDRN CCCn1c(C)cc(C=C(C#N)C(=O)Nc2cccc(-c3nn[nH]n3)c2C)c1C ZINC000821143756 945641899 /nfs/dbraw/zinc/64/18/99/945641899.db2.gz XILUIQNKUFABMK-BOPFTXTBSA-N 0 0 389.463 3.549 20 50 GHGDRN N#CC(=Cc1ccc(C#N)s1)c1nc(-c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000822796741 946186950 /nfs/dbraw/zinc/18/69/50/946186950.db2.gz XFXSSOSLGKOHKX-NTUHNPAUSA-N 0 0 387.453 3.988 20 50 GHGDRN CC(C)(C)[C@@H]1CCc2sc(C(=O)NNc3ccc(-c4nn[nH]n4)cc3)cc2C1 ZINC001573826005 949894815 /nfs/dbraw/zinc/89/48/15/949894815.db2.gz DTIUXSPLOOFRPO-CQSZACIVSA-N 0 0 396.520 3.836 20 50 GHGDRN N#CC(=Cc1ccccc1-c1nn[nH]n1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000826379417 607883728 /nfs/dbraw/zinc/88/37/28/607883728.db2.gz QYLCQILVQFERTB-WZUFQYTHSA-N 0 0 385.214 3.719 20 50 GHGDRN N#CC(=Cc1ccccc1-c1nn[nH]n1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000826379410 607884778 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O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)Nc1ccccc1C(F)(F)F ZINC000826446658 609498404 /nfs/dbraw/zinc/49/84/04/609498404.db2.gz UAWCUFHOUQLRHW-UHFFFAOYSA-N 0 0 397.748 3.688 20 50 GHGDRN Cc1ncsc1C=C(C#N)c1nc(-c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000822481723 946100904 /nfs/dbraw/zinc/10/09/04/946100904.db2.gz CNEWOVBBUDDMKS-MLPAPPSSSA-N 0 0 377.458 3.819 20 50 GHGDRN C[C@@H](NC(=O)NNc1ccccc1)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824505470 946749510 /nfs/dbraw/zinc/74/95/10/946749510.db2.gz DMTLIQPOVUYIHD-OAHLLOKOSA-N 0 0 399.458 3.921 20 50 GHGDRN Cc1ccc(SC2CCCC2)c(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826292808 947848438 /nfs/dbraw/zinc/84/84/38/947848438.db2.gz MZIZHKXNTFIIKG-UHFFFAOYSA-N 0 0 394.504 3.967 20 50 GHGDRN Cc1cc(F)ccc1NNC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000826268812 607392986 /nfs/dbraw/zinc/39/29/86/607392986.db2.gz ONKYXCGNFYYSSR-UHFFFAOYSA-N 0 0 388.406 3.738 20 50 GHGDRN N#CC(=Cc1ccccc1-c1nn[nH]n1)c1ccc([N+](=O)[O-])cc1Br ZINC000826379436 608229853 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N#CC(=Cc1ccc(-c2nn[nH]n2)s1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000822796456 946185600 /nfs/dbraw/zinc/18/56/00/946185600.db2.gz RRJUJZGXSZEUOI-VMPITWQZSA-N 0 0 391.243 3.781 20 50 GHGDRN O=C(Cc1cccc(-c2nn[nH]n2)c1)NNc1c(Cl)cc(Cl)cc1Cl ZINC000823103876 946310843 /nfs/dbraw/zinc/31/08/43/946310843.db2.gz NHBLMTNXWCNKPV-UHFFFAOYSA-N 0 0 397.653 3.513 20 50 GHGDRN CC1(C)CCc2cc(C=C(C#N)C(=O)c3cccc(-c4nn[nH]n4)c3)ccc2O1 ZINC000824808482 608214370 /nfs/dbraw/zinc/21/43/70/608214370.db2.gz SVJBACUBJVJIIM-WOJGMQOQSA-N 0 0 385.427 3.760 20 50 GHGDRN CC(C)(C)[Si](C)(C)OC1(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CCOCC1 ZINC001588739180 961144537 /nfs/dbraw/zinc/14/45/37/961144537.db2.gz DMOJNZVJZMNWMO-DLBZAZTESA-N 0 0 383.605 3.600 20 50 GHGDRN C[C@@H](CBr)C[N@H+](CCC(=O)[O-])Cc1cccc(Br)c1 ZINC001592212576 977268270 /nfs/dbraw/zinc/26/82/70/977268270.db2.gz SLJFZTVKPWNTCW-NSHDSACASA-N 0 0 393.119 3.757 20 50 GHGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc(-c2ccccc2)ccc1Cl ZINC000826446594 607343632 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GHGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1SCc1ccco1 ZINC000826447135 607353262 /nfs/dbraw/zinc/35/32/62/607353262.db2.gz OYIKAFNFWHESFB-UHFFFAOYSA-N 0 0 392.444 3.509 20 50 GHGDRN Cc1cc(Br)ccc1C=C(C#N)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826256393 608215035 /nfs/dbraw/zinc/21/50/35/608215035.db2.gz HFEMTSSHYAGZGN-OVCLIPMQSA-N 0 0 394.232 3.728 20 50 GHGDRN Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cc(C)c1OC(F)F ZINC000826266278 608216789 /nfs/dbraw/zinc/21/67/89/608216789.db2.gz JKQIETOFAZQTSL-PXNMLYILSA-N 0 0 395.369 3.875 20 50 GHGDRN N#CC(=Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379006 608217207 /nfs/dbraw/zinc/21/72/07/608217207.db2.gz GYBDUNLFJCIJHV-UYRXBGFRSA-N 0 0 384.443 3.647 20 50 GHGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379710 608288731 /nfs/dbraw/zinc/28/87/31/608288731.db2.gz ZGNHKBQFWGERHH-QPEQYQDCSA-N 0 0 387.296 3.814 20 50 GHGDRN C[C@@H](CC1CCCC1)C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000820233883 945392189 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O=C(C[C@@H](Cc1ccccc1)c1ccccc1)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826403933 607350581 /nfs/dbraw/zinc/35/05/81/607350581.db2.gz IZUWXSGLAHEGQU-HXUWFJFHSA-N 0 0 398.470 3.726 20 50 GHGDRN N#CC(=Cc1ccc(F)c(-c2nn[nH]n2)c1)c1nc2ccccc2n1C(F)F ZINC000826379350 608877492 /nfs/dbraw/zinc/87/74/92/608877492.db2.gz PPCVJBWHBVPVCC-YRNVUSSQSA-N 0 0 381.321 3.815 20 50 GHGDRN Cc1cc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)c(C)n1C1CCCCC1 ZINC000737261961 945025402 /nfs/dbraw/zinc/02/54/02/945025402.db2.gz IQEYNIRWAGTFDF-UHFFFAOYSA-N 0 0 391.479 3.554 20 50 GHGDRN CCCc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)cc1 ZINC000821138926 945640474 /nfs/dbraw/zinc/64/04/74/945640474.db2.gz KTZROAIFZZVTQT-UHFFFAOYSA-N 0 0 390.369 3.595 20 50 GHGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)cc1F)c1nc(-c2ccncc2)cs1 ZINC000822796494 946184583 /nfs/dbraw/zinc/18/45/83/946184583.db2.gz SVFYECHXQPILDZ-AUWJEWJLSA-N 0 0 375.392 3.588 20 50 GHGDRN CC(C)(C(=O)NNc1ccc(Cl)cc1Cl)c1ccc(-c2nn[nH]n2)cc1 ZINC001573783122 949141611 /nfs/dbraw/zinc/14/16/11/949141611.db2.gz RKYDRJGSAKKTBT-UHFFFAOYSA-N 0 0 391.262 3.594 20 50 GHGDRN CC(C)C[C@H](CNC(=O)NNc1cccc(C(=O)[O-])c1)[NH2+][C@H](C)c1ccccc1 ZINC001591150909 991895193 /nfs/dbraw/zinc/89/51/93/991895193.db2.gz RUGZSVFGOUVEHY-OXQOHEQNSA-N 0 0 398.507 3.776 20 50 GHGDRN CCN(CC)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cc1F ZINC000825418089 608216197 /nfs/dbraw/zinc/21/61/97/608216197.db2.gz WXKTWHIQEOAAQA-YVLHZVERSA-N 0 0 390.422 3.642 20 50 GHGDRN N#CC(=Cc1cnn2ccccc12)c1nc(-c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000737672004 945108520 /nfs/dbraw/zinc/10/85/20/945108520.db2.gz KNLWEJSTXYMSJG-DHDCSXOGSA-N 0 0 396.439 3.702 20 50 GHGDRN CC(C)CC(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000735759330 944699594 /nfs/dbraw/zinc/69/95/94/944699594.db2.gz SCLFNCUYXMWSJC-WOJGMQOQSA-N 0 0 387.443 3.968 20 50 GHGDRN CCCn1cc(C=C(C#N)c2nc(-c3ccc(-c4nn[nH]n4)cc3)cs2)cn1 ZINC000736503563 944836172 /nfs/dbraw/zinc/83/61/72/944836172.db2.gz LOZSAIZJCHDNPS-PXNMLYILSA-N 0 0 388.460 3.661 20 50 GHGDRN COc1ccc(C=C(C#N)C(=O)Nc2cccc3ccccc32)cc1-c1nn[nH]n1 ZINC000737077205 944947864 /nfs/dbraw/zinc/94/78/64/944947864.db2.gz SYTAYZUBQHJXBK-LFIBNONCSA-N 0 0 396.410 3.574 20 50 GHGDRN CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)s1 ZINC000821492278 945707349 /nfs/dbraw/zinc/70/73/49/945707349.db2.gz KBUOUOVGMJALJK-GXDHUFHOSA-N 0 0 378.461 3.599 20 50 GHGDRN CC[C@](C)(C(=O)[O-])[N@H+](CCP(=O)(c1ccccc1)c1ccccc1)CC1CC1 ZINC001594787981 981831739 /nfs/dbraw/zinc/83/17/39/981831739.db2.gz RCZMQYOAJRIBPQ-HSZRJFAPSA-N 0 0 399.471 3.966 20 50 GHGDRN Cc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)sc1-c1ccc(F)cc1 ZINC000826260125 607348064 /nfs/dbraw/zinc/34/80/64/607348064.db2.gz XPVRQYPNLPTAFG-UHFFFAOYSA-N 0 0 394.435 3.800 20 50 GHGDRN O=C(NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1cccc(C(F)F)c1 ZINC000823280540 606127407 /nfs/dbraw/zinc/12/74/07/606127407.db2.gz AHTUZYJAEXRMAJ-UHFFFAOYSA-N 0 0 398.295 3.580 20 50 GHGDRN N#CC(=Cc1ccccc1-c1nn[nH]n1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000826379441 607883521 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GHGDRN N#CC(=Cc1cnc2ccccn12)c1nc(-c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000737672517 945110413 /nfs/dbraw/zinc/11/04/13/945110413.db2.gz OMJJUHGDCLEAOD-DHDCSXOGSA-N 0 0 396.439 3.702 20 50 GHGDRN CC[C@H](C)C(=O)C(C#N)=Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000736320788 944800217 /nfs/dbraw/zinc/80/02/17/944800217.db2.gz XONQGAFLSROHOL-HNIBHBHRSA-N 0 0 387.443 3.968 20 50 GHGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1ncc(C2CCCCC2)s1 ZINC000826448368 948313946 /nfs/dbraw/zinc/31/39/46/948313946.db2.gz SHGVSPYDPSMJFA-UHFFFAOYSA-N 0 0 384.469 3.520 20 50 GHGDRN CC(C)(C)[Si](C)(C)OCc1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1 ZINC001573462526 958919383 /nfs/dbraw/zinc/91/93/83/958919383.db2.gz DASRBDAFFLVMMH-RXVVDRJESA-N 0 0 391.584 3.741 20 50 GHGDRN COC(=O)c1cc(C[N@@H+]2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)cc(C(=O)[O-])c1 ZINC001598930649 997746950 /nfs/dbraw/zinc/74/69/50/997746950.db2.gz CMKSAWBMFLULCG-QGZVFWFLSA-N 0 0 393.556 3.768 20 50 GHGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc(-c2ccccc2Cl)o1 ZINC000826448574 607715682 /nfs/dbraw/zinc/71/56/82/607715682.db2.gz AVVMVLBYYIZNQS-UHFFFAOYSA-N 0 0 380.795 3.537 20 50 GHGDRN N#CC(=Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000826379536 608880346 /nfs/dbraw/zinc/88/03/46/608880346.db2.gz UTOYNKAMVKTSCJ-KPKJPENVSA-N 0 0 387.296 3.814 20 50 GHGDRN CCCCc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000821077343 945630186 /nfs/dbraw/zinc/63/01/86/945630186.db2.gz BJOKPHJHLGKKNA-KAMYIIQDSA-N 0 0 378.461 3.816 20 50 GHGDRN N#CC(=Cc1cc(-c2nn[nH]n2)cs1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000822796441 946184794 /nfs/dbraw/zinc/18/47/94/946184794.db2.gz RBDOOKTYUNJMEN-UNXLUWIOSA-N 0 0 391.243 3.781 20 50 GHGDRN O=C([O-])CC[C@H]1CCC[N@H+](CCP(=O)(c2ccccc2)c2ccccc2)C1 ZINC001595019578 951313054 /nfs/dbraw/zinc/31/30/54/951313054.db2.gz UDTFTJIZZNPMCC-LJQANCHMSA-N 0 0 385.444 3.577 20 50 GHGDRN Cc1ccccc1C1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCCCC1 ZINC000826305569 607715989 /nfs/dbraw/zinc/71/59/89/607715989.db2.gz BLVQZLWVCKBTGX-UHFFFAOYSA-N 0 0 376.464 3.520 20 50 GHGDRN N#CC(=Cc1ccccc1-c1nn[nH]n1)C(=O)Nc1c(Cl)cccc1Cl ZINC000826378873 607883758 /nfs/dbraw/zinc/88/37/58/607883758.db2.gz CLKHWYXDDGRCGD-DHZHZOJOSA-N 0 0 385.214 3.719 20 50 GHGDRN O=C(NNc1ccc(F)cc1)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000826447489 609370281 /nfs/dbraw/zinc/37/02/81/609370281.db2.gz HTBRPVHUXMCGAV-UHFFFAOYSA-N 0 0 390.378 3.555 20 50 GHGDRN CCCn1cc(C=C(C#N)c2nc(-c3ccc(-c4nn[nH]n4)cc3)cs2)cn1 ZINC000736503561 944836149 /nfs/dbraw/zinc/83/61/49/944836149.db2.gz LOZSAIZJCHDNPS-LZYBPNLTSA-N 0 0 388.460 3.661 20 50 GHGDRN N#CC(=Cc1cc(-c2nn[nH]n2)cs1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000822796466 946185773 /nfs/dbraw/zinc/18/57/73/946185773.db2.gz RWWGSAKUCHQQLO-FPYGCLRLSA-N 0 0 391.243 3.781 20 50 GHGDRN N#CC(=Cc1ccc(Br)cc1F)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826378979 608215378 /nfs/dbraw/zinc/21/53/78/608215378.db2.gz GFRUPSMTDYCIGQ-MLPAPPSSSA-N 0 0 398.195 3.558 20 50 GHGDRN COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)c2ccccc12 ZINC000826190576 608218363 /nfs/dbraw/zinc/21/83/63/608218363.db2.gz GAQWZHWHBQGKRB-BOPFTXTBSA-N 0 0 381.395 3.818 20 50 GHGDRN O=C(NNc1ccc(F)cc1)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000738137961 945250163 /nfs/dbraw/zinc/25/01/63/945250163.db2.gz VQRWXZCRKNNSIK-UHFFFAOYSA-N 0 0 390.378 3.555 20 50 GHGDRN C[C@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1cccc(-c2nn[nH]n2)c1 ZINC000820373169 945434497 /nfs/dbraw/zinc/43/44/97/945434497.db2.gz FTINMRDJWLEXPZ-VIFPVBQESA-N 0 0 392.250 3.561 20 50 GHGDRN Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)NNc2ccccc2)cc1 ZINC000822145737 945966285 /nfs/dbraw/zinc/96/62/85/945966285.db2.gz SVRUAYSSZOKMAK-UHFFFAOYSA-N 0 0 386.415 3.724 20 50 GHGDRN O=C(CCCC[C@@H]1CCSS1)OCc1cc(F)ccc1-c1nn[nH]n1 ZINC000822955223 946233305 /nfs/dbraw/zinc/23/33/05/946233305.db2.gz MVGMSCOLSAAYHC-CYBMUJFWSA-N 0 0 382.486 3.763 20 50 GHGDRN C[C@]([NH2+]CCP(=O)(c1ccccc1)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC001589128415 956180488 /nfs/dbraw/zinc/18/04/88/956180488.db2.gz IPSBQJZCXDJWJH-HSZRJFAPSA-N 0 0 393.423 3.590 20 50 GHGDRN CC(C)(C)[Si](C)(C)OCc1csc(C[NH2+][C@H](CC(F)F)C(=O)[O-])n1 ZINC001590451776 990015819 /nfs/dbraw/zinc/01/58/19/990015819.db2.gz QTWLPIAYVBFQGH-LLVKDONJSA-N 0 0 380.533 3.863 20 50 GHGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc(-c2ccc(F)cc2)cc1F ZINC000826449023 607714760 /nfs/dbraw/zinc/71/47/60/607714760.db2.gz YBXFUHRWNZDIRV-UHFFFAOYSA-N 0 0 392.369 3.569 20 50 GHGDRN CC[C@@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000825039765 607727923 /nfs/dbraw/zinc/72/79/23/607727923.db2.gz VUTOZOHFKRLJEE-OAHLLOKOSA-N 0 0 390.369 3.522 20 50 GHGDRN Cc1cc(Br)ccc1C=C(C#N)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826256392 608214968 /nfs/dbraw/zinc/21/49/68/608214968.db2.gz HFEMTSSHYAGZGN-NVNXTCNLSA-N 0 0 394.232 3.728 20 50 GHGDRN N#CC(=Cc1ccc(Br)c(F)c1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379320 608215931 /nfs/dbraw/zinc/21/59/31/608215931.db2.gz ORXJJBVIPXFSHO-AWNIVKPZSA-N 0 0 398.195 3.558 20 50 GHGDRN N#CC(=Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379005 608216936 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COCc1ccc(C=C(C#N)c2nc(-c3ccc(-c4nn[nH]n4)cc3)cs2)o1 ZINC000821695171 945827507 /nfs/dbraw/zinc/82/75/07/945827507.db2.gz MLQGOZXLWYARDV-RIYZIHGNSA-N 0 0 390.428 3.794 20 50 GHGDRN COc1ccc(-c2csc(C(C#N)=Cc3ccc(-c4nn[nH]n4)o3)n2)cc1 ZINC000821732657 945851726 /nfs/dbraw/zinc/85/17/26/945851726.db2.gz RMPYMBOFHDCVIG-XYOKQWHBSA-N 0 0 376.401 3.656 20 50 GHGDRN Cc1ccc(C)c(NNC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)c1 ZINC000826285412 607381597 /nfs/dbraw/zinc/38/15/97/607381597.db2.gz ZEMNPHFVXRSALB-UHFFFAOYSA-N 0 0 399.458 3.984 20 50 GHGDRN N#CC(=Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000826379269 607916113 /nfs/dbraw/zinc/91/61/13/607916113.db2.gz NOAZXQBOYJVOPM-VZUCSPMQSA-N 0 0 392.781 3.930 20 50 GHGDRN N#CC(=Cc1cccc(-c2ccccn2)c1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826378843 608215483 /nfs/dbraw/zinc/21/54/83/608215483.db2.gz BOENITXOZZAJRH-UNOMPAQXSA-N 0 0 378.395 3.719 20 50 GHGDRN N#CC(=Cc1csc(-c2ccccc2)n1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379259 608216987 /nfs/dbraw/zinc/21/69/87/608216987.db2.gz NHRDSFSUAADMRN-MHWRWJLKSA-N 0 0 384.424 3.780 20 50 GHGDRN CC[C@H](C)C(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736320947 944802222 /nfs/dbraw/zinc/80/22/22/944802222.db2.gz ZPZGSCDOVFFQJL-LZNAANCOSA-N 0 0 387.443 3.968 20 50 GHGDRN CCCn1c(C)cc(C(=O)C(C#N)=Cc2ccc(-c3nn[nH]n3)cc2F)c1C ZINC000821143727 945642771 /nfs/dbraw/zinc/64/27/71/945642771.db2.gz WJLDMEROIAHFPO-SXGWCWSVSA-N 0 0 378.411 3.624 20 50 GHGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000822796025 946180412 /nfs/dbraw/zinc/18/04/12/946180412.db2.gz KMVPHRUNBDLPQS-XGICHPGQSA-N 0 0 392.781 3.930 20 50 GHGDRN N#CC(=Cc1cc(-c2nn[nH]n2)cs1)C(=O)Nc1c(Cl)cccc1Cl ZINC000822796691 946187648 /nfs/dbraw/zinc/18/76/48/946187648.db2.gz VWWDDJPGSKHUGT-YWEYNIOJSA-N 0 0 391.243 3.781 20 50 GHGDRN Cc1sc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1-c1ccc(F)cc1 ZINC000826349327 607334188 /nfs/dbraw/zinc/33/41/88/607334188.db2.gz DPPUJFAIYJQSGR-UHFFFAOYSA-N 0 0 394.435 3.800 20 50 GHGDRN Cc1cc(C)cc(NNC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)c1 ZINC000826264338 607381687 /nfs/dbraw/zinc/38/16/87/607381687.db2.gz KQYAGGAZBSXBFY-UHFFFAOYSA-N 0 0 399.458 3.984 20 50 GHGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000826448679 607728876 /nfs/dbraw/zinc/72/88/76/607728876.db2.gz GRAXHFRSGSLQLG-UHFFFAOYSA-N 0 0 390.378 3.555 20 50 GHGDRN N#CC(=Cc1ccccc1-c1nn[nH]n1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000826379411 607884702 /nfs/dbraw/zinc/88/47/02/607884702.db2.gz QWCKPZYBNGREEG-SXGWCWSVSA-N 0 0 381.424 3.926 20 50 GHGDRN COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)c2ccccc12 ZINC000826190577 608217972 /nfs/dbraw/zinc/21/79/72/608217972.db2.gz GAQWZHWHBQGKRB-GZTJUZNOSA-N 0 0 381.395 3.818 20 50 GHGDRN C[C@@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1cccc(Cl)c1Cl ZINC000736119657 944743378 /nfs/dbraw/zinc/74/33/78/944743378.db2.gz TUULMHJJGHDTGQ-SECBINFHSA-N 0 0 392.250 3.561 20 50 GHGDRN COc1ccc(C=C(C#N)C(=O)c2ccc(C(C)(C)C)cc2)cc1-c1nn[nH]n1 ZINC000737075057 944945620 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GHGDRN CC(C)(C)[Si](C)(C)OCc1ccc(C[NH+]2CCC([C@@H](O)C(=O)[O-])CC2)cc1 ZINC001590451131 990011291 /nfs/dbraw/zinc/01/12/91/990011291.db2.gz AWGHMUIVUSHMDT-LJQANCHMSA-N 0 0 393.600 3.866 20 50 GHGDRN C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001594376284 999419255 /nfs/dbraw/zinc/41/92/55/999419255.db2.gz JDRABHMYTFIYCX-INIZCTEOSA-N 0 0 396.491 3.586 20 50 GHGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc(OCC2CCCCC2)cc1 ZINC000826448979 607338753 /nfs/dbraw/zinc/33/87/53/607338753.db2.gz VYSHZZAVVIPSIB-UHFFFAOYSA-N 0 0 392.463 3.583 20 50 GHGDRN N#CC(=Cc1ccccc1-c1nn[nH]n1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000826379442 607883659 /nfs/dbraw/zinc/88/36/59/607883659.db2.gz RRMLPCLURWFATB-XFXZXTDPSA-N 0 0 398.398 3.727 20 50 GHGDRN N#CC(=Cc1cnc(-c2ccccc2)s1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379496 608213579 /nfs/dbraw/zinc/21/35/79/608213579.db2.gz SZSXSXUHVQIUAD-MHWRWJLKSA-N 0 0 384.424 3.780 20 50 GHGDRN CC(C)(C)c1ccc(C(=O)C(C#N)=Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000735649168 944683732 /nfs/dbraw/zinc/68/37/32/944683732.db2.gz YHBHRTDERQTUOU-YBEGLDIGSA-N 0 0 397.442 3.602 20 50 GHGDRN CC(C)n1cc(C=C(C#N)c2nc(-c3ccc(-c4nn[nH]n4)cc3)cs2)cn1 ZINC000735959716 944728550 /nfs/dbraw/zinc/72/85/50/944728550.db2.gz AXAHVLBPDJZNSO-APSNUPSMSA-N 0 0 388.460 3.832 20 50 GHGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000822796502 946184666 /nfs/dbraw/zinc/18/46/66/946184666.db2.gz SWBSLYYYAKXNGF-QPEQYQDCSA-N 0 0 387.296 3.814 20 50 GHGDRN CC(C)c1ccc(NNC(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)cc1 ZINC001574417063 948763850 /nfs/dbraw/zinc/76/38/50/948763850.db2.gz KMPTTZSIRRVKIT-UHFFFAOYSA-N 0 0 382.472 3.695 20 50 GHGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(-c2ccccc2Cl)o1 ZINC000826447252 607342431 /nfs/dbraw/zinc/34/24/31/607342431.db2.gz WNIOLHQBRKHIAG-UHFFFAOYSA-N 0 0 380.795 3.537 20 50 GHGDRN Cc1ccc(-c2ccc(C(=O)NNc3ccc(-c4nn[nH]n4)cc3)c(F)c2)cc1 ZINC000826273659 607348315 /nfs/dbraw/zinc/34/83/15/607348315.db2.gz OKMUBPPBTOCABV-UHFFFAOYSA-N 0 0 388.406 3.738 20 50 GHGDRN CC[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000825039135 607350152 /nfs/dbraw/zinc/35/01/52/607350152.db2.gz MTEBHZFNZHKRHD-OAHLLOKOSA-N 0 0 390.369 3.522 20 50 GHGDRN O=C(CCCc1ccc(Cl)c(Cl)c1)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826406603 607354105 /nfs/dbraw/zinc/35/41/05/607354105.db2.gz DQTRXUWEVJNZCU-UHFFFAOYSA-N 0 0 391.262 3.640 20 50 GHGDRN Cc1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)sc1-c1ccc(F)cc1 ZINC000826259762 607724074 /nfs/dbraw/zinc/72/40/74/607724074.db2.gz DSUTYKIZYHZHQS-UHFFFAOYSA-N 0 0 394.435 3.800 20 50 GHGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cccc(-c2c(F)cccc2F)c1 ZINC000826446980 607943283 /nfs/dbraw/zinc/94/32/83/607943283.db2.gz ICUXYWJSUDOYHO-UHFFFAOYSA-N 0 0 392.369 3.569 20 50 GHGDRN N#CC(=Cc1ccc(F)cc1C(F)(F)F)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826378906 608215474 /nfs/dbraw/zinc/21/54/74/608215474.db2.gz DIZXXBCSQQSQRQ-MLPAPPSSSA-N 0 0 387.296 3.814 20 50 GHGDRN N#CC(=Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)c1ccccn1 ZINC000737672328 945110987 /nfs/dbraw/zinc/11/09/87/945110987.db2.gz MWBKTXOXDPIKJW-PDGQHHTCSA-N 0 0 380.411 3.905 20 50 GHGDRN O=C(CCCC[C@H]1CCSS1)OCc1ccc(F)cc1-c1nn[nH]n1 ZINC000737823984 945133519 /nfs/dbraw/zinc/13/35/19/945133519.db2.gz CZXVDBGEDOMGIW-ZDUSSCGKSA-N 0 0 382.486 3.763 20 50 GHGDRN Cc1cccc(NNC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)c1 ZINC000737398968 945055608 /nfs/dbraw/zinc/05/56/08/945055608.db2.gz GNHLFEMHWUQDAV-UHFFFAOYSA-N 0 0 385.431 3.676 20 50 GHGDRN CC[N@H+](Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1)C(C)C ZINC000737106541 978379589 /nfs/dbraw/zinc/37/95/89/978379589.db2.gz QLKGFQHEYGVITQ-UHFFFAOYSA-N 0 0 386.404 3.743 20 50 GHGDRN Cc1ccc2c(c1)sc(C(=O)NNc1ccc(-c3nn[nH]n3)cc1)c2Cl ZINC000826293402 607345863 /nfs/dbraw/zinc/34/58/63/607345863.db2.gz OGEQCZAQIUAIMR-UHFFFAOYSA-N 0 0 384.852 3.800 20 50 GHGDRN Cc1cc(-c2nn[nH]n2)ccc1COC(=O)CCCC[C@@H]1CCSS1 ZINC000826253558 607407211 /nfs/dbraw/zinc/40/72/11/607407211.db2.gz VHXODRQQLPQXDO-OAHLLOKOSA-N 0 0 378.523 3.932 20 50 GHGDRN O=C(CCCC[C@H]1CCSS1)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826405953 607421434 /nfs/dbraw/zinc/42/14/34/607421434.db2.gz AQDZHDDZXICFPT-HNNXBMFYSA-N 0 0 389.550 3.686 20 50 GHGDRN N#CC(=Cc1ccccc1-c1nn[nH]n1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379128 608288471 /nfs/dbraw/zinc/28/84/71/608288471.db2.gz JPBGQQQEZZVDNZ-GHXNOFRVSA-N 0 0 387.296 3.814 20 50 GHGDRN CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(SC(C)C)cc1 ZINC000735449088 944657720 /nfs/dbraw/zinc/65/77/20/944657720.db2.gz VLCCRZOOBROEIK-UHFFFAOYSA-N 0 0 380.477 3.521 20 50 GHGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000822796024 946180099 /nfs/dbraw/zinc/18/00/99/946180099.db2.gz KMVPHRUNBDLPQS-LFYBBSHMSA-N 0 0 392.781 3.930 20 50 GHGDRN C[N@H+](Cc1ccccc1NC(=O)NNc1ncccc1C(=O)[O-])C1CCCCC1 ZINC001593760554 954483323 /nfs/dbraw/zinc/48/33/23/954483323.db2.gz CHQDQZNJSZMKTQ-UHFFFAOYSA-N 0 0 397.479 3.693 20 50 GHGDRN CC(C)C[C@H](CNC(=O)NNc1cccc(C(=O)[O-])c1)[NH2+][C@@H](C)c1ccccc1 ZINC001591150908 991895516 /nfs/dbraw/zinc/89/55/16/991895516.db2.gz RUGZSVFGOUVEHY-OXJNMPFZSA-N 0 0 398.507 3.776 20 50 GHGDRN O=C(CCCc1cc(Cl)sc1Cl)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826406527 607334561 /nfs/dbraw/zinc/33/45/61/607334561.db2.gz AXWRKQIJBRHPOE-UHFFFAOYSA-N 0 0 397.291 3.701 20 50 GHGDRN CCC(CC)(C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)cc1 ZINC000825090428 607726065 /nfs/dbraw/zinc/72/60/65/607726065.db2.gz ZEZSUYASCPXRQU-UHFFFAOYSA-N 0 0 384.871 3.721 20 50 GHGDRN N#CC(=Cc1csc(-c2cccs2)n1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379266 608213713 /nfs/dbraw/zinc/21/37/13/608213713.db2.gz NMFNIJXQBOMCEC-MDWZMJQESA-N 0 0 390.453 3.842 20 50 GHGDRN Cc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cc1Br ZINC000826285695 608216486 /nfs/dbraw/zinc/21/64/86/608216486.db2.gz HNCGVONCJFCCKI-CHHVJCJISA-N 0 0 394.232 3.728 20 50 GHGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000826447911 608803344 /nfs/dbraw/zinc/80/33/44/608803344.db2.gz ATOMPWYMQXNXTA-UHFFFAOYSA-N 0 0 397.748 3.688 20 50 GHGDRN O=C(NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)Nc1cccc(Cl)c1 ZINC000738136562 945235271 /nfs/dbraw/zinc/23/52/71/945235271.db2.gz GUCBUXZSTDGLTB-UHFFFAOYSA-N 0 0 397.748 3.688 20 50 GHGDRN C[C@@H]1C[C@@H]1[C@@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)cc1 ZINC000820668805 945520023 /nfs/dbraw/zinc/52/00/23/945520023.db2.gz WVAOXTAOIZNLSN-NVGVWMPQSA-N 0 0 397.870 3.544 20 50 GHGDRN CCCn1c(C)cc(C=C(C#N)C(=O)Nc2cccc(-c3nn[nH]n3)c2C)c1C ZINC000821143757 945642652 /nfs/dbraw/zinc/64/26/52/945642652.db2.gz XILUIQNKUFABMK-GZTJUZNOSA-N 0 0 389.463 3.549 20 50 GHGDRN N#CC(=Cc1cc(C#N)cs1)c1nc(-c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000822796149 946181945 /nfs/dbraw/zinc/18/19/45/946181945.db2.gz MLDJUJXEZUESCB-MKMNVTDBSA-N 0 0 387.453 3.988 20 50 GHGDRN N#CC(=Cc1ccccc1-c1nn[nH]n1)c1ncc(C(F)(F)F)cc1Cl ZINC000826378781 948172466 /nfs/dbraw/zinc/17/24/66/948172466.db2.gz ADLZXPMFVTYONL-BJMVGYQFSA-N 0 0 376.729 3.998 20 50 GHGDRN CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NNc1ccccc1C(=O)[O-] ZINC001591441884 992539515 /nfs/dbraw/zinc/53/95/15/992539515.db2.gz WNMMCQZPCBCTII-UYAOXDASSA-N 0 0 395.503 3.622 20 50 GHGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc(Cl)ccc1OC1CCCC1 ZINC000826447116 607346134 /nfs/dbraw/zinc/34/61/34/607346134.db2.gz OBJXZZZSAJZGPP-UHFFFAOYSA-N 0 0 398.854 3.598 20 50 GHGDRN Cc1c2ccc3ccccc3c2oc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826234539 607350113 /nfs/dbraw/zinc/35/01/13/607350113.db2.gz BEPLCZSTQDZSJG-UHFFFAOYSA-N 0 0 384.399 3.831 20 50 GHGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1ccccc1-c1cccs1 ZINC000826448101 608805799 /nfs/dbraw/zinc/80/57/99/608805799.db2.gz IQCMJGCGLINYRT-UHFFFAOYSA-N 0 0 377.433 3.744 20 50 GHGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1cccc(-c2cccs2)c1 ZINC000826448217 608810682 /nfs/dbraw/zinc/81/06/82/608810682.db2.gz MNPBUQNSGHPTNC-UHFFFAOYSA-N 0 0 377.433 3.744 20 50 GHGDRN CC(C)(C)C(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000735585440 944672695 /nfs/dbraw/zinc/67/26/95/944672695.db2.gz BQURZIDEGHMRSD-GZTJUZNOSA-N 0 0 387.443 3.968 20 50 GHGDRN CC[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000820843343 945570881 /nfs/dbraw/zinc/57/08/81/945570881.db2.gz WRQRMNRVGCATLY-CYBMUJFWSA-N 0 0 390.369 3.522 20 50 GHGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)cc1F)c1nc2ccccc2n1C(F)F ZINC000822796686 946187234 /nfs/dbraw/zinc/18/72/34/946187234.db2.gz VUXBLGKVDDSJAE-KPKJPENVSA-N 0 0 381.321 3.815 20 50 GHGDRN N#CC(=Cc1ccccc1-c1nn[nH]n1)c1ncc(C(F)(F)F)cc1Cl ZINC000826378782 948172418 /nfs/dbraw/zinc/17/24/18/948172418.db2.gz ADLZXPMFVTYONL-YHYXMXQVSA-N 0 0 376.729 3.998 20 50 GHGDRN O=C(NNc1cccc(F)c1F)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000823281382 599491428 /nfs/dbraw/zinc/49/14/28/599491428.db2.gz RLZFKRPAUFDHBB-UHFFFAOYSA-N 0 0 392.369 3.569 20 50 GHGDRN N#CC(=Cc1cc(F)ccc1Br)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826378968 608213782 /nfs/dbraw/zinc/21/37/82/608213782.db2.gz GBMKTDSRKQQAMR-NTUHNPAUSA-N 0 0 398.195 3.558 20 50 GHGDRN N#CC(=Cc1ccc(-c2ccncc2)cc1F)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379255 608215526 /nfs/dbraw/zinc/21/55/26/608215526.db2.gz NGPBMHQRALYBEG-VXLYETTFSA-N 0 0 396.385 3.858 20 50 GHGDRN N#CC(=Cc1csc(-c2ccccc2)n1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379260 608217354 /nfs/dbraw/zinc/21/73/54/608217354.db2.gz NHRDSFSUAADMRN-YBEGLDIGSA-N 0 0 384.424 3.780 20 50 GHGDRN COc1ccc(-c2nn[nH]n2)cc1COC(=O)CCCC[C@H]1CCSS1 ZINC000821741932 945851768 /nfs/dbraw/zinc/85/17/68/945851768.db2.gz VIVUJFGCVOMKJZ-AWEZNQCLSA-N 0 0 394.522 3.633 20 50 GHGDRN Cc1ccc(SC2CCCC2)c(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826292617 947849391 /nfs/dbraw/zinc/84/93/91/947849391.db2.gz DCSXCJAEVQONRH-UHFFFAOYSA-N 0 0 394.504 3.967 20 50 GHGDRN C[C@@]1([NH2+]CCP(=O)(c2ccccc2)c2ccccc2)CCCC[C@H]1C(=O)[O-] ZINC000833569119 605069263 /nfs/dbraw/zinc/06/92/63/605069263.db2.gz ISHUQFUQJWBYMZ-RBBKRZOGSA-N 0 0 385.444 3.624 20 50 GHGDRN Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)ccc1Br ZINC000826266366 608214805 /nfs/dbraw/zinc/21/48/05/608214805.db2.gz MNVTYJPMGNSGOI-OVCLIPMQSA-N 0 0 394.232 3.728 20 50 GHGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1ccc2oc3ccccc3c2c1 ZINC000826448147 608803673 /nfs/dbraw/zinc/80/36/73/608803673.db2.gz JZBKSOWMCHAESV-UHFFFAOYSA-N 0 0 385.387 3.915 20 50 GHGDRN CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000825722697 608873917 /nfs/dbraw/zinc/87/39/17/608873917.db2.gz JVUBSAZVTMGAMX-MHWRWJLKSA-N 0 0 390.422 3.676 20 50 GHGDRN C[C@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824498367 609180407 /nfs/dbraw/zinc/18/04/07/609180407.db2.gz FSIFLUDELJWSKN-ZDUSSCGKSA-N 0 0 379.468 3.552 20 50 GHGDRN C[C@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1ccc(-c2nn[nH]n2)cc1 ZINC000820374229 945436223 /nfs/dbraw/zinc/43/62/23/945436223.db2.gz NEKMSCOGYAZVRG-VIFPVBQESA-N 0 0 392.250 3.561 20 50 GHGDRN Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)cc1F ZINC000822035534 945960113 /nfs/dbraw/zinc/96/01/13/945960113.db2.gz WGRKHBCCMLCKFV-QPEQYQDCSA-N 0 0 382.786 3.513 20 50 GHGDRN C[C@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1C(F)(F)F ZINC000824385630 607356500 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GHGDRN CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)cc1F ZINC000821492290 945707259 /nfs/dbraw/zinc/70/72/59/945707259.db2.gz KOABFPFHFCGYHJ-LICLKQGHSA-N 0 0 390.422 3.676 20 50 GHGDRN Cc1ncsc1C=C(C#N)c1nc(-c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000822481722 946100472 /nfs/dbraw/zinc/10/04/72/946100472.db2.gz CNEWOVBBUDDMKS-AWNIVKPZSA-N 0 0 377.458 3.819 20 50 GHGDRN O=C(NN(c1ccccc1)c1ccccc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823269317 946362720 /nfs/dbraw/zinc/36/27/20/946362720.db2.gz CIMDEVCSXQWYIH-UHFFFAOYSA-N 0 0 392.369 3.628 20 50 GHGDRN CC(C)(C)CC(C)(C)C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC001573839141 950126434 /nfs/dbraw/zinc/12/64/34/950126434.db2.gz LYTYNKPRPPIHCZ-UHFFFAOYSA-N 0 0 384.406 3.791 20 50 GHGDRN CCCCCCOc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825271025 607344370 /nfs/dbraw/zinc/34/43/70/607344370.db2.gz FVLUSEMVXLCODK-UHFFFAOYSA-N 0 0 380.452 3.583 20 50 GHGDRN CC(C)=CCSc1ccccc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000824176828 607353405 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3.624 20 50 GHGDRN O=C(NNc1cccc(F)c1)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000826449132 609391324 /nfs/dbraw/zinc/39/13/24/609391324.db2.gz CQZBHEGHEQRYIL-UHFFFAOYSA-N 0 0 390.378 3.555 20 50 GHGDRN CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)s1 ZINC000821492279 945707636 /nfs/dbraw/zinc/70/76/36/945707636.db2.gz KBUOUOVGMJALJK-UVTDQMKNSA-N 0 0 378.461 3.599 20 50 GHGDRN COc1ccc(-c2nn[nH]n2)cc1COC(=O)CCCC[C@@H]1CCSS1 ZINC000821741936 945852871 /nfs/dbraw/zinc/85/28/71/945852871.db2.gz VIVUJFGCVOMKJZ-CQSZACIVSA-N 0 0 394.522 3.633 20 50 GHGDRN Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)cc1F ZINC000822035526 945956898 /nfs/dbraw/zinc/95/68/98/945956898.db2.gz WGRKHBCCMLCKFV-NTUHNPAUSA-N 0 0 382.786 3.513 20 50 GHGDRN CC(C)(C)[Si](C)(C)OCc1csc(C[NH2+][C@@H](CC(F)F)C(=O)[O-])n1 ZINC001590451778 990015480 /nfs/dbraw/zinc/01/54/80/990015480.db2.gz QTWLPIAYVBFQGH-NSHDSACASA-N 0 0 380.533 3.863 20 50 GHGDRN CC(C)C[C@@H](CNC(=O)NNc1cccc(C(=O)[O-])c1)[NH2+][C@H](C)c1ccccc1 ZINC001591150910 991895390 /nfs/dbraw/zinc/89/53/90/991895390.db2.gz RUGZSVFGOUVEHY-UZLBHIALSA-N 0 0 398.507 3.776 20 50 GHGDRN Cc1ccc(-c2ccsc2C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826273795 607335693 /nfs/dbraw/zinc/33/56/93/607335693.db2.gz URZQZQQJNPDIEV-UHFFFAOYSA-N 0 0 376.445 3.661 20 50 GHGDRN N#CC(=Cc1ccccc1-c1nn[nH]n1)c1ccc([N+](=O)[O-])cc1Br ZINC000826379435 608229850 /nfs/dbraw/zinc/22/98/50/608229850.db2.gz RMIBXWXIHZFDTB-XFFZJAGNSA-N 0 0 397.192 3.602 20 50 GHGDRN Cc1ccc(NNC(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)cc1 ZINC000826291732 609405069 /nfs/dbraw/zinc/40/50/69/609405069.db2.gz TVMQPSNDMIETSO-UHFFFAOYSA-N 0 0 386.415 3.724 20 50 GHGDRN Cc1cc2ccc(Cl)cc2[nH]c1=NNC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826273182 609448049 /nfs/dbraw/zinc/44/80/49/609448049.db2.gz SNBPCALLVFYBIL-UHFFFAOYSA-N 0 0 394.826 3.525 20 50 GHGDRN N#CC(=Cc1cnc2ccccn12)c1nc(-c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000737672518 945110542 /nfs/dbraw/zinc/11/05/42/945110542.db2.gz OMJJUHGDCLEAOD-OQLLNIDSSA-N 0 0 396.439 3.702 20 50 GHGDRN CCc1cc(SC#N)cc(CC)c1NC(=O)c1sccc1-c1nn[nH]n1 ZINC000821476090 945705520 /nfs/dbraw/zinc/70/55/20/945705520.db2.gz GWTTXDMIEURZFS-UHFFFAOYSA-N 0 0 384.490 3.878 20 50 GHGDRN C[C@@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000824385483 607350130 /nfs/dbraw/zinc/35/01/30/607350130.db2.gz VDYHMWCLTQIQCD-NSHDSACASA-N 0 0 390.369 3.522 20 50 GHGDRN N#CC(=Cc1ccc(F)c(-c2nn[nH]n2)c1)c1nc(-c2ccncc2)cs1 ZINC000826378890 607916860 /nfs/dbraw/zinc/91/68/60/607916860.db2.gz CXRSETPYWVXVLO-NTUHNPAUSA-N 0 0 375.392 3.588 20 50 GHGDRN N#CC(=Cc1cc(-c2nn[nH]n2)cs1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379104 608288455 /nfs/dbraw/zinc/28/84/55/608288455.db2.gz JCTCQVFCFKRWQO-OQFOIZHKSA-N 0 0 393.325 3.876 20 50 GHGDRN N#CC(=Cc1cc(-c2nn[nH]n2)cs1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379105 608288679 /nfs/dbraw/zinc/28/86/79/608288679.db2.gz JCTCQVFCFKRWQO-YCRREMRBSA-N 0 0 393.325 3.876 20 50 GHGDRN C[C@H](CC(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000820225552 945389109 /nfs/dbraw/zinc/38/91/09/945389109.db2.gz KXBGMWCIVNNRHC-LLVKDONJSA-N 0 0 390.369 3.522 20 50 GHGDRN C[C@@H]1C[C@H]1[C@@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)cc1 ZINC000820668804 945519936 /nfs/dbraw/zinc/51/99/36/945519936.db2.gz WVAOXTAOIZNLSN-LQAWEQHXSA-N 0 0 397.870 3.544 20 50 GHGDRN N#CC(=Cc1cc(-c2nn[nH]n2)cs1)C(=O)c1ccc(Br)s1 ZINC000822796215 946183181 /nfs/dbraw/zinc/18/31/81/946183181.db2.gz MYYZSGXKDUPSJP-CLTKARDFSA-N 0 0 392.263 3.542 20 50 GHGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)s1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000822796706 946187351 /nfs/dbraw/zinc/18/73/51/946187351.db2.gz WODYARMVZNNFMK-NTUHNPAUSA-N 0 0 387.453 3.988 20 50 GHGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000822796770 946189968 /nfs/dbraw/zinc/18/99/68/946189968.db2.gz YHAQKNGPQHKVFA-WYMLVPIESA-N 0 0 398.382 3.798 20 50 GHGDRN O=C([O-])[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2ccc(OCCCCl)cc2)C1 ZINC001331934617 961418677 /nfs/dbraw/zinc/41/86/77/961418677.db2.gz STXHCNPFQRHEEC-KGLIPLIRSA-N 0 0 379.806 3.779 20 50 GHGDRN N#CC(=Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379625 608213609 /nfs/dbraw/zinc/21/36/09/608213609.db2.gz XFRAJTSVPFAJLQ-OVCLIPMQSA-N 0 0 399.332 3.598 20 50 GHGDRN N#CC(=Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379337 608288892 /nfs/dbraw/zinc/28/88/92/608288892.db2.gz PBKBKNOLNLBFCM-NTUHNPAUSA-N 0 0 387.296 3.814 20 50 GHGDRN COc1cc(-c2nn[nH]n2)ccc1COC(=O)CCCC[C@@H]1CCSS1 ZINC000826171621 608347077 /nfs/dbraw/zinc/34/70/77/608347077.db2.gz SMWYXICJRBQXPI-CQSZACIVSA-N 0 0 394.522 3.633 20 50 GHGDRN O=C(NNc1ccccc1C(F)(F)F)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000826449484 608819035 /nfs/dbraw/zinc/81/90/35/608819035.db2.gz VKSJJCJJGQKEJV-UHFFFAOYSA-N 0 0 397.748 3.688 20 50 GHGDRN N#CC(=Cc1ccc(SC(F)F)cc1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379396 609369685 /nfs/dbraw/zinc/36/96/85/609369685.db2.gz QPXLEVLADPKMGS-RIYZIHGNSA-N 0 0 383.383 3.971 20 50 GHGDRN Cc1ccccc1-c1cccc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000737416573 945063079 /nfs/dbraw/zinc/06/30/79/945063079.db2.gz CMLIIRBZECUJNG-UHFFFAOYSA-N 0 0 382.427 3.606 20 50 GHGDRN C[C@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1cccc(-c2nn[nH]n2)c1 ZINC000820375159 945440980 /nfs/dbraw/zinc/44/09/80/945440980.db2.gz ZAHLOROHGNRYPO-VIFPVBQESA-N 0 0 392.250 3.561 20 50 GHGDRN Cc1cc(Cl)ccc1C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000822202212 945987871 /nfs/dbraw/zinc/98/78/71/945987871.db2.gz PTLXPYNVWNBWHQ-UHFFFAOYSA-N 0 0 396.760 3.604 20 50 GHGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)s1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000822795848 946177403 /nfs/dbraw/zinc/17/74/03/946177403.db2.gz IJLLWDLWPXHHQS-FPYGCLRLSA-N 0 0 391.243 3.781 20 50 GHGDRN N#CC(=Cc1cc(C#N)cs1)c1nc(-c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000822796152 946182100 /nfs/dbraw/zinc/18/21/00/946182100.db2.gz MLDJUJXEZUESCB-NSIKDUERSA-N 0 0 387.453 3.988 20 50 GHGDRN N#CC(=Cc1cc(-c2nn[nH]n2)cs1)C(=O)c1ccc(Br)s1 ZINC000822796216 946183575 /nfs/dbraw/zinc/18/35/75/946183575.db2.gz MYYZSGXKDUPSJP-XVNBXDOJSA-N 0 0 392.263 3.542 20 50 GHGDRN CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NNc1ccc(C)c(C(=O)[O-])c1 ZINC001596008894 983269205 /nfs/dbraw/zinc/26/92/05/983269205.db2.gz RZFOCWVSBKAWBZ-WIYYLYMNSA-N 0 0 395.503 3.685 20 50 GHGDRN O=C(CCCc1ccc(Cl)c(Cl)c1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826406881 607334345 /nfs/dbraw/zinc/33/43/45/607334345.db2.gz RFWPESJQLKQZAQ-UHFFFAOYSA-N 0 0 391.262 3.640 20 50 GHGDRN Cc1cc(C)c2nc(C3CC3)cc(C(=O)NNc3ccc(-c4nn[nH]n4)cc3)c2c1 ZINC000826263925 607350613 /nfs/dbraw/zinc/35/06/13/607350613.db2.gz WFFMWZLGALCFNH-UHFFFAOYSA-N 0 0 399.458 3.666 20 50 GHGDRN C[C@@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1C(F)(F)F ZINC000824385631 607356437 /nfs/dbraw/zinc/35/64/37/607356437.db2.gz XYBIPPRKJSNHCU-NSHDSACASA-N 0 0 390.369 3.522 20 50 GHGDRN Cc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cc1Br ZINC000826285696 608216380 /nfs/dbraw/zinc/21/63/80/608216380.db2.gz HNCGVONCJFCCKI-VIZOYTHASA-N 0 0 394.232 3.728 20 50 GHGDRN COc1ccc(C=C(C#N)C(=O)Nc2cccc3ccccc32)cc1-c1nn[nH]n1 ZINC000737077208 944948913 /nfs/dbraw/zinc/94/89/13/944948913.db2.gz SYTAYZUBQHJXBK-WJDWOHSUSA-N 0 0 396.410 3.574 20 50 GHGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000822796498 946184891 /nfs/dbraw/zinc/18/48/91/946184891.db2.gz SWBSLYYYAKXNGF-NTUHNPAUSA-N 0 0 387.296 3.814 20 50 GHGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)s1)C(=O)Nc1cccc(Cl)c1Cl ZINC000822796655 946188312 /nfs/dbraw/zinc/18/83/12/946188312.db2.gz UKBRBPAUIVCDNT-VURMDHGXSA-N 0 0 391.243 3.781 20 50 GHGDRN N#CC(=Cc1cc(-c2nn[nH]n2)cs1)C(=O)c1c[nH]c2cc(Cl)ccc21 ZINC000822796794 946190080 /nfs/dbraw/zinc/19/00/80/946190080.db2.gz YZGMMCRWBGTICH-OQFOIZHKSA-N 0 0 380.820 3.853 20 50 GHGDRN CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001596009336 983269860 /nfs/dbraw/zinc/26/98/60/983269860.db2.gz WEXFGBMEXGTXTM-SJLPKXTDSA-N 0 0 399.466 3.515 20 50 GHGDRN O=C(NNc1cccc(F)c1)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826449539 607340176 /nfs/dbraw/zinc/34/01/76/607340176.db2.gz XZFILJJXCPPWFG-UHFFFAOYSA-N 0 0 389.394 3.506 20 50 GHGDRN Cc1cccc(C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)c1Cl ZINC000826296442 607862029 /nfs/dbraw/zinc/86/20/29/607862029.db2.gz XHBFRSPZEVIVNE-UHFFFAOYSA-N 0 0 396.760 3.604 20 50 GHGDRN C[C@@H](C[NH+]1CCCCCC1)C(=O)NN=Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001592616557 978580200 /nfs/dbraw/zinc/58/02/00/978580200.db2.gz VYUAZFNYFUDBFJ-INIZCTEOSA-N 0 0 397.475 3.607 20 50 GHGDRN Cc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c(C)n1C1CCCCC1 ZINC000826259991 607343059 /nfs/dbraw/zinc/34/30/59/607343059.db2.gz QERINADPZZGBLQ-UHFFFAOYSA-N 0 0 379.468 3.547 20 50 GHGDRN CSc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c(Cl)cc1Cl ZINC000826229714 607354948 /nfs/dbraw/zinc/35/49/48/607354948.db2.gz OGEIUNPYVQYVJQ-UHFFFAOYSA-N 0 0 395.275 3.652 20 50 GHGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(OCC2CCCCC2)cc1 ZINC000826447241 607357019 /nfs/dbraw/zinc/35/70/19/607357019.db2.gz VVERZLQLWCRDMX-UHFFFAOYSA-N 0 0 392.463 3.583 20 50 GHGDRN N#CC(=Cc1ccccc1C#N)c1nc(-c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000826379450 607884775 /nfs/dbraw/zinc/88/47/75/607884775.db2.gz RZKXHHOECFFLJY-RQZCQDPDSA-N 0 0 381.424 3.926 20 50 GHGDRN Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)ccc1Br ZINC000826266365 608215066 /nfs/dbraw/zinc/21/50/66/608215066.db2.gz MNVTYJPMGNSGOI-NVNXTCNLSA-N 0 0 394.232 3.728 20 50 GHGDRN N#CC(=Cc1ccc(F)c(Br)c1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826378900 608215631 /nfs/dbraw/zinc/21/56/31/608215631.db2.gz DBEIPVFALOGDED-AWNIVKPZSA-N 0 0 398.195 3.558 20 50 GHGDRN Cc1ccccc1[C@H](CC(C)C)NC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000737424161 945065568 /nfs/dbraw/zinc/06/55/68/945065568.db2.gz WCGVAJIVDFFMSA-SFHVURJKSA-N 0 0 379.468 3.589 20 50 GHGDRN CC(C)Sc1ccc([C@@H](C)NC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000735921191 944714981 /nfs/dbraw/zinc/71/49/81/944714981.db2.gz OBLQJGWULDJXPM-CYBMUJFWSA-N 0 0 397.508 3.755 20 50 GHGDRN Cc1ccc(-c2ccc(C=NNC(=O)c3cccc(-c4nn[nH]n4)c3)s2)cc1 ZINC000737287451 945029830 /nfs/dbraw/zinc/02/98/30/945029830.db2.gz HDQDPIQJDBIMPZ-UHFFFAOYSA-N 0 0 388.456 3.668 20 50 GHGDRN C[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1cccc(-c2nn[nH]n2)c1 ZINC000820321169 945413977 /nfs/dbraw/zinc/41/39/77/945413977.db2.gz BWTOMDQZBAEFTA-DOMZBBRYSA-N 0 0 377.539 3.758 20 50 GHGDRN CC[C@@H](C)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000820881653 945582577 /nfs/dbraw/zinc/58/25/77/945582577.db2.gz CKMIAICFVZNXLC-HLVNSREUSA-N 0 0 378.461 3.987 20 50 GHGDRN CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821476324 945704206 /nfs/dbraw/zinc/70/42/06/945704206.db2.gz MHUHKTPKTYFVMV-UHFFFAOYSA-N 0 0 378.461 3.817 20 50 GHGDRN N#CC(=Cc1cc(-c2nn[nH]n2)cs1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000822796021 946179108 /nfs/dbraw/zinc/17/91/08/946179108.db2.gz KJMVNWUAQYDDBU-BJMVGYQFSA-N 0 0 375.335 3.737 20 50 GHGDRN CCCc1c(C(=O)NNc2ccnc3cc(Cl)ccc32)[nH]c(C)c1C(=O)[O-] ZINC000737043036 978375179 /nfs/dbraw/zinc/37/51/79/978375179.db2.gz GMJQGCJJFBOZPK-UHFFFAOYSA-N 0 0 386.839 3.932 20 50 GHGDRN O=C(CC(c1ccccc1)c1ccccc1)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826404118 607350589 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GHGDRN Cc1ccccc1[C@@H](CC(C)C)NC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000737424159 945063873 /nfs/dbraw/zinc/06/38/73/945063873.db2.gz WCGVAJIVDFFMSA-GOSISDBHSA-N 0 0 379.468 3.589 20 50 GHGDRN O=C(NN=Cc1cccc(-c2nn[nH]n2)c1)Nc1ccc(-c2ccccc2)cc1 ZINC000738129226 945198596 /nfs/dbraw/zinc/19/85/96/945198596.db2.gz RCKDYZGYVLEELU-UHFFFAOYSA-N 0 0 383.415 3.689 20 50 GHGDRN CC(C)CC(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000735759332 944698327 /nfs/dbraw/zinc/69/83/27/944698327.db2.gz SCLFNCUYXMWSJC-WQRHYEAKSA-N 0 0 387.443 3.968 20 50 GHGDRN C[C@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1cccc(Cl)c1Cl ZINC000736119660 944743126 /nfs/dbraw/zinc/74/31/26/944743126.db2.gz TUULMHJJGHDTGQ-VIFPVBQESA-N 0 0 392.250 3.561 20 50 GHGDRN COc1ccc(C=C(C#N)c2nc3ccccc3n2C(F)F)cc1-c1nn[nH]n1 ZINC000737077501 944948234 /nfs/dbraw/zinc/94/82/34/944948234.db2.gz VBIULNQSKJCCIC-XYOKQWHBSA-N 0 0 393.357 3.684 20 50 GHGDRN C[C@@H](CC(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000820225553 945390312 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608217330 /nfs/dbraw/zinc/21/73/30/608217330.db2.gz MVYJLDFLHOAWNX-LDADJPATSA-N 0 0 385.427 3.978 20 50 GHGDRN CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000821477128 945704513 /nfs/dbraw/zinc/70/45/13/945704513.db2.gz ZJRZIFVOQIKWOP-UHFFFAOYSA-N 0 0 384.490 3.878 20 50 GHGDRN CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)cs1 ZINC000821492695 945709423 /nfs/dbraw/zinc/70/94/23/945709423.db2.gz SZIKNBPSTMILJG-ZSOIEALJSA-N 0 0 378.461 3.599 20 50 GHGDRN C[C@H](CBr)C[N@H+](CCC(=O)[O-])Cc1cccc(Br)c1 ZINC001592212572 977268329 /nfs/dbraw/zinc/26/83/29/977268329.db2.gz SLJFZTVKPWNTCW-LLVKDONJSA-N 0 0 393.119 3.757 20 50 GHGDRN CC1(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC[NH+](Cc2ccccc2)CC1 ZINC001593816135 996553549 /nfs/dbraw/zinc/55/35/49/996553549.db2.gz HSNZLNCPENYYDE-UHFFFAOYSA-N 0 0 398.415 3.501 20 50 GHGDRN O=C(CCCSc1ccc(Cl)cc1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826407061 607336361 /nfs/dbraw/zinc/33/63/61/607336361.db2.gz ZGYWSQYZLAWSKE-UHFFFAOYSA-N 0 0 388.884 3.536 20 50 GHGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000826448157 608805443 /nfs/dbraw/zinc/80/54/43/608805443.db2.gz KLOWYKHIGZJZCH-UHFFFAOYSA-N 0 0 397.748 3.688 20 50 GHGDRN CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000825722698 608873629 /nfs/dbraw/zinc/87/36/29/608873629.db2.gz JVUBSAZVTMGAMX-YBEGLDIGSA-N 0 0 390.422 3.676 20 50 GHGDRN O=C(NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)Nc1ccc(Cl)cc1 ZINC000738136651 945238208 /nfs/dbraw/zinc/23/82/08/945238208.db2.gz IJEKPRYEBOGCJE-UHFFFAOYSA-N 0 0 397.748 3.688 20 50 GHGDRN CC(C)(C)C(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000735585439 944673061 /nfs/dbraw/zinc/67/30/61/944673061.db2.gz BQURZIDEGHMRSD-BOPFTXTBSA-N 0 0 387.443 3.968 20 50 GHGDRN CC(C)Sc1ccc([C@H](C)NC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000735921192 944714314 /nfs/dbraw/zinc/71/43/14/944714314.db2.gz OBLQJGWULDJXPM-ZDUSSCGKSA-N 0 0 397.508 3.755 20 50 GHGDRN N#CC(=Cc1cc(-c2nn[nH]n2)cs1)C(=O)Nc1cccc(Cl)c1Cl ZINC000822795947 946180074 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Cc1cccc2sc(C(=O)NNc3ccc(-c4nn[nH]n4)cc3)c(Cl)c21 ZINC000826305221 607352605 /nfs/dbraw/zinc/35/26/05/607352605.db2.gz OOEXWJLYEBPDJJ-UHFFFAOYSA-N 0 0 384.852 3.800 20 50 GHGDRN N#CC(=Cc1cccc(-c2ccccn2)c1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826378844 608215541 /nfs/dbraw/zinc/21/55/41/608215541.db2.gz BOENITXOZZAJRH-XDHOZWIPSA-N 0 0 378.395 3.719 20 50 GHGDRN N#CC(=Cc1csc(-c2ccsc2)n1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379253 608215622 /nfs/dbraw/zinc/21/56/22/608215622.db2.gz NFZXCHOJRDXIFZ-VGOFMYFVSA-N 0 0 390.453 3.842 20 50 GHGDRN N#CC(=Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)C(=O)C1CCC1 ZINC000737671700 945108688 /nfs/dbraw/zinc/10/86/88/945108688.db2.gz IJBLJGUEBQBMQC-WOJGMQOQSA-N 0 0 385.427 3.722 20 50 GHGDRN O=C(NNc1ccccc1)c1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1 ZINC000738136949 945239380 /nfs/dbraw/zinc/23/93/80/945239380.db2.gz JKHZZPARXSZMEA-UHFFFAOYSA-N 0 0 390.378 3.555 20 50 GHGDRN CC[C@@H](C)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000820881657 945582112 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N#CC(=Cc1nc(-c2ccccc2)cs1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379247 608215627 /nfs/dbraw/zinc/21/56/27/608215627.db2.gz NDQYUZVKLWBYEP-MHWRWJLKSA-N 0 0 384.424 3.780 20 50 GHGDRN CC(C)(C)c1ccc(NNC(=O)CSCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824135185 609176985 /nfs/dbraw/zinc/17/69/85/609176985.db2.gz BQVZZRCWSMBMGJ-UHFFFAOYSA-N 0 0 396.520 3.541 20 50 GHGDRN Cc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)cc1Cl ZINC000822226255 946005170 /nfs/dbraw/zinc/00/51/70/946005170.db2.gz JTVNLICBVWVYCE-UHFFFAOYSA-N 0 0 396.760 3.604 20 50 GHGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)s1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000822796457 946185379 /nfs/dbraw/zinc/18/53/79/946185379.db2.gz RRJUJZGXSZEUOI-YVMONPNESA-N 0 0 391.243 3.781 20 50 GHGDRN O=C([O-])CC[C@@H]1CCCC[N@@H+]1CCP(=O)(c1ccccc1)c1ccccc1 ZINC001595012355 951257672 /nfs/dbraw/zinc/25/76/72/951257672.db2.gz BRXBFGSETMCVJW-IBGZPJMESA-N 0 0 385.444 3.720 20 50 GHGDRN CC[C@@](C)(C(=O)[O-])[N@H+](CCP(=O)(c1ccccc1)c1ccccc1)CC1CC1 ZINC001594787983 981832121 /nfs/dbraw/zinc/83/21/21/981832121.db2.gz RCZMQYOAJRIBPQ-QHCPKHFHSA-N 0 0 399.471 3.966 20 50 GHGDRN CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NNc1cccc(C(=O)[O-])c1C ZINC001596009385 983270934 /nfs/dbraw/zinc/27/09/34/983270934.db2.gz ZEGJZPOZHXYVLN-UYAOXDASSA-N 0 0 395.503 3.685 20 50 GHGDRN N#CC(=Cc1ccccc1-c1nn[nH]n1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000826379187 607883680 /nfs/dbraw/zinc/88/36/80/607883680.db2.gz LDYDFFRZDYRXLK-YRNVUSSQSA-N 0 0 385.214 3.719 20 50 GHGDRN Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000826237016 607915660 /nfs/dbraw/zinc/91/56/60/607915660.db2.gz LCAYTRCQKYUSTH-GHXNOFRVSA-N 0 0 382.786 3.513 20 50 GHGDRN N#CC(=Cc1ccc(F)cc1Br)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379042 608216900 /nfs/dbraw/zinc/21/69/00/608216900.db2.gz HVOILRQNGDMPSO-MLPAPPSSSA-N 0 0 398.195 3.558 20 50 GHGDRN CCN(C(=O)[C@@H](Br)C(C)(C)C)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825362234 609268033 /nfs/dbraw/zinc/26/80/33/609268033.db2.gz KJTNPDMRPKNILR-BXUZGUMPSA-N 0 0 394.317 3.586 20 50 GHGDRN Cc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)c1OC(F)F ZINC000826297376 609308847 /nfs/dbraw/zinc/30/88/47/609308847.db2.gz FMBLJSSFUXUYHB-DHDCSXOGSA-N 0 0 381.342 3.566 20 50 GHGDRN CC(C)[C@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccccc1Cl ZINC000735720088 944695078 /nfs/dbraw/zinc/69/50/78/944695078.db2.gz HZPUUDCBURXFFQ-INIZCTEOSA-N 0 0 385.859 3.544 20 50 GHGDRN Cc1oc(C[N@H+](C)CCP(=O)(c2ccccc2)c2ccccc2)cc1C(=O)[O-] ZINC000738967486 978611034 /nfs/dbraw/zinc/61/10/34/978611034.db2.gz UTZGHELQAUYFRM-UHFFFAOYSA-N 0 0 397.411 3.732 20 50 GHGDRN COC(=O)c1cc(C[N@@H+]2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)cc(C(=O)[O-])c1 ZINC001598930647 997746979 /nfs/dbraw/zinc/74/69/79/997746979.db2.gz CMKSAWBMFLULCG-KRWDZBQOSA-N 0 0 393.556 3.768 20 50 GHGDRN Cc1ccc(-c2ccsc2C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826273441 607354939 /nfs/dbraw/zinc/35/49/39/607354939.db2.gz DPSNOUMSSLSTLM-UHFFFAOYSA-N 0 0 376.445 3.661 20 50 GHGDRN C[C@]1([NH2+]CCP(=O)(c2ccccc2)c2ccccc2)CCCC[C@H]1C(=O)[O-] ZINC000833569120 605069376 /nfs/dbraw/zinc/06/93/76/605069376.db2.gz ISHUQFUQJWBYMZ-UNMCSNQZSA-N 0 0 385.444 3.624 20 50 GHGDRN CC(C)(C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)C1CCCC1 ZINC000824065151 607942670 /nfs/dbraw/zinc/94/26/70/607942670.db2.gz UEUYCKJEFJZBSH-UHFFFAOYSA-N 0 0 382.390 3.545 20 50 GHGDRN Cc1ccc(-c2nc(C=C(C#N)C(=O)c3cccc(-c4nn[nH]n4)c3)co2)cc1 ZINC000826273861 608216729 /nfs/dbraw/zinc/21/67/29/608216729.db2.gz XJDPHUFNSPYMOM-YVLHZVERSA-N 0 0 382.383 3.620 20 50 GHGDRN N#CC(=Cc1ccccc1OC1CCCC1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379236 608217357 /nfs/dbraw/zinc/21/73/57/608217357.db2.gz MVYJLDFLHOAWNX-PDGQHHTCSA-N 0 0 385.427 3.978 20 50 GHGDRN N#CC(=Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1nc(-c2ccccc2)cs1 ZINC000737671596 945108351 /nfs/dbraw/zinc/10/83/51/945108351.db2.gz HRKCBTDIUWFORC-NVNXTCNLSA-N 0 0 396.439 3.702 20 50 GHGDRN O=C(NN=Cc1c2ccccc2cc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000738129542 945203086 /nfs/dbraw/zinc/20/30/86/945203086.db2.gz ULEAEBSMTVZRDK-UHFFFAOYSA-N 0 0 392.422 3.937 20 50 GHGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000738136293 945233728 /nfs/dbraw/zinc/23/37/28/945233728.db2.gz DHUCRDRXYZLFAQ-KRWDZBQOSA-N 0 0 397.870 3.688 20 50 GHGDRN C[C@H](NC(=O)CCCC[C@H]1CCSS1)c1cccc(-c2nn[nH]n2)c1 ZINC000820321172 945413289 /nfs/dbraw/zinc/41/32/89/945413289.db2.gz BWTOMDQZBAEFTA-WFASDCNBSA-N 0 0 377.539 3.758 20 50 GHGDRN Cc1cc(Cl)cc(C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)c1 ZINC000822202249 945988398 /nfs/dbraw/zinc/98/83/98/945988398.db2.gz SEEFBKSIFLZWKP-UHFFFAOYSA-N 0 0 396.760 3.604 20 50 GHGDRN CC(C)(C)c1ccc(CSCC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC001573881261 950752040 /nfs/dbraw/zinc/75/20/40/950752040.db2.gz BSNGQEDHNPNREC-UHFFFAOYSA-N 0 0 396.520 3.541 20 50 GHGDRN Cc1cccc2sc(C(=O)NNc3cccc(-c4nn[nH]n4)c3)c(Cl)c21 ZINC000826304852 607732146 /nfs/dbraw/zinc/73/21/46/607732146.db2.gz AXQMCBONBGBLBQ-UHFFFAOYSA-N 0 0 384.852 3.800 20 50 GHGDRN N#CC(=Cc1cccc(OCC(F)(F)F)c1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826378960 608217024 /nfs/dbraw/zinc/21/70/24/608217024.db2.gz FWSMUZRWCLJLQM-CHHVJCJISA-N 0 0 399.332 3.598 20 50 GHGDRN CC(C)[C@@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccccc1Cl ZINC000735720092 944694912 /nfs/dbraw/zinc/69/49/12/944694912.db2.gz HZPUUDCBURXFFQ-MRXNPFEDSA-N 0 0 385.859 3.544 20 50 GHGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)cc1F)c1nc2ccccc2n1C(F)F ZINC000822796685 946187910 /nfs/dbraw/zinc/18/79/10/946187910.db2.gz VUXBLGKVDDSJAE-GHXNOFRVSA-N 0 0 381.321 3.815 20 50 GHGDRN CC(C)(C)Cc1ccccc1C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001573854748 950348643 /nfs/dbraw/zinc/34/86/43/950348643.db2.gz FJGWVPHMMGNTMF-UHFFFAOYSA-N 0 0 384.871 3.866 20 50 GHGDRN C=C(CBr)C[N@@H+](CCC(=O)[O-])Cc1cccc(Br)c1 ZINC001588605452 983692791 /nfs/dbraw/zinc/69/27/91/983692791.db2.gz ICKQPIJYTZQJFT-UHFFFAOYSA-N 0 0 391.103 3.677 20 50 GHGDRN CC(C)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000824347728 608215989 /nfs/dbraw/zinc/21/59/89/608215989.db2.gz LSAXIYFNIDWKAS-PXNMLYILSA-N 0 0 388.387 3.688 20 50 GHGDRN CC[C@@H](C)C(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736320943 944801422 /nfs/dbraw/zinc/80/14/22/944801422.db2.gz ZPZGSCDOVFFQJL-CLXYIWAZSA-N 0 0 387.443 3.968 20 50 GHGDRN C[C@@H]1C[C@@H]1[C@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)cc1 ZINC000820668807 945520081 /nfs/dbraw/zinc/52/00/81/945520081.db2.gz WVAOXTAOIZNLSN-ZTFRIQLXSA-N 0 0 397.870 3.544 20 50 GHGDRN CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821475916 945705435 /nfs/dbraw/zinc/70/54/35/945705435.db2.gz CXMFSPSVIGGRPW-UHFFFAOYSA-N 0 0 392.488 3.746 20 50 GHGDRN O=C(NN=Cc1cc(-c2nn[nH]n2)cs1)Nc1ccc(-c2ccccc2)cc1 ZINC000823273561 946383486 /nfs/dbraw/zinc/38/34/86/946383486.db2.gz QSZNXYUAMOVGDX-UHFFFAOYSA-N 0 0 389.444 3.751 20 50 GHGDRN CC(C)C[C@@H](CNC(=O)NNc1cccc(C(=O)[O-])c1)[NH2+][C@@H](C)c1ccccc1 ZINC001591150907 991895202 /nfs/dbraw/zinc/89/52/02/991895202.db2.gz RUGZSVFGOUVEHY-JXFKEZNVSA-N 0 0 398.507 3.776 20 50 GHGDRN C[C@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000824385482 607350331 /nfs/dbraw/zinc/35/03/31/607350331.db2.gz VDYHMWCLTQIQCD-LLVKDONJSA-N 0 0 390.369 3.522 20 50 GHGDRN CC1(C)CCc2cc(C=C(C#N)C(=O)c3cccc(-c4nn[nH]n4)c3)ccc2O1 ZINC000824808493 608214479 /nfs/dbraw/zinc/21/44/79/608214479.db2.gz SVJBACUBJVJIIM-WQRHYEAKSA-N 0 0 385.427 3.760 20 50 GHGDRN COc1ccc2cc(C=C(C#N)C(=O)c3cccc(-c4nn[nH]n4)c3)ccc2c1 ZINC000826213465 608214991 /nfs/dbraw/zinc/21/49/91/608214991.db2.gz XLTWEWHEIPWOFO-GRSHGNNSSA-N 0 0 381.395 3.818 20 50 GHGDRN COc1ccc(C=C(C#N)C(=O)c2ccc(C(C)(C)C)cc2)cc1-c1nn[nH]n1 ZINC000737075059 944947048 /nfs/dbraw/zinc/94/70/48/944947048.db2.gz ITJBDXFCBOCSQH-WJDWOHSUSA-N 0 0 387.443 3.963 20 50 GHGDRN CCc1sc(C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)cc1C ZINC000821563875 945717032 /nfs/dbraw/zinc/71/70/32/945717032.db2.gz JTIREGJABQMMLQ-UHFFFAOYSA-N 0 0 396.398 3.575 20 50 GHGDRN N#CC(=Cc1cc(-c2nn[nH]n2)cs1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000822796487 946185880 /nfs/dbraw/zinc/18/58/80/946185880.db2.gz SQPQGWZXBKYPPU-ACAGNQJTSA-N 0 0 387.453 3.988 20 50 GHGDRN COC(=O)CC[N@H+](CC(=O)[O-])Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1 ZINC001593841834 955373786 /nfs/dbraw/zinc/37/37/86/955373786.db2.gz NCYGXSGFYIOBSA-UHFFFAOYSA-N 0 0 395.572 3.658 20 50 GHGDRN C[C@@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000824384557 607348587 /nfs/dbraw/zinc/34/85/87/607348587.db2.gz DNZHVLJKQPRTJW-NSHDSACASA-N 0 0 390.369 3.522 20 50 GHGDRN Cc1cc(-c2nn[nH]n2)ccc1COC(=O)CCCC[C@H]1CCSS1 ZINC000826253557 607407107 /nfs/dbraw/zinc/40/71/07/607407107.db2.gz VHXODRQQLPQXDO-HNNXBMFYSA-N 0 0 378.523 3.932 20 50 GHGDRN C[C@H](CC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000824384321 607725140 /nfs/dbraw/zinc/72/51/40/607725140.db2.gz AEURZFVTFGANHA-LLVKDONJSA-N 0 0 390.369 3.522 20 50 GHGDRN