smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)cc1 ZINC000005562906 557662186 /nfs/dbraw/zinc/66/21/86/557662186.db2.gz DBOKZNVYUVBGNX-JOCHJYFZSA-N -1 1 415.420 4.811 50 30 HJEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nncs2)cc1 ZINC000006015184 557684323 /nfs/dbraw/zinc/68/43/23/557684323.db2.gz PDURDPSDDRZRAO-SFHVURJKSA-N -1 1 423.469 4.584 50 30 HJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(F)cc2)no1 ZINC000013553058 558539893 /nfs/dbraw/zinc/53/98/93/558539893.db2.gz XWLBXPFPILLSRN-HXUWFJFHSA-N -1 1 418.380 4.651 50 30 HJEAMM CC1(C)SC(=S)N(/N=C/c2ccccc2F)[C@@H]1N([O-])C(=O)Nc1ccccc1 ZINC000004795006 559066315 /nfs/dbraw/zinc/06/63/15/559066315.db2.gz HVNVNQRRAFMDLP-SVZNOHIVSA-N -1 1 418.519 4.521 50 30 HJEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)cc1 ZINC000017836310 560729133 /nfs/dbraw/zinc/72/91/33/560729133.db2.gz QAILPIQGFGEGQK-OAQYLSRUSA-N -1 1 418.449 4.555 50 30 HJEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)cc1 ZINC000017836310 560729135 /nfs/dbraw/zinc/72/91/35/560729135.db2.gz QAILPIQGFGEGQK-OAQYLSRUSA-N -1 1 418.449 4.555 50 30 HJEAMM COc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 ZINC000102801502 560828589 /nfs/dbraw/zinc/82/85/89/560828589.db2.gz BOWPPDMDZVRKQE-JBCNATCCSA-N -1 1 419.864 4.975 50 30 HJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102801255 560828629 /nfs/dbraw/zinc/82/86/29/560828629.db2.gz SJGJWMNQNQFHOJ-GROYHEBESA-N -1 1 410.882 4.731 50 30 HJEAMM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2cccs2)sc1C ZINC000102863737 560832418 /nfs/dbraw/zinc/83/24/18/560832418.db2.gz PRVAVAIYAVQIJV-MRPLLJTBSA-N -1 1 402.522 4.509 50 30 HJEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2cccs2)sc1C ZINC000102863737 560832420 /nfs/dbraw/zinc/83/24/20/560832420.db2.gz PRVAVAIYAVQIJV-MRPLLJTBSA-N -1 1 402.522 4.509 50 30 HJEAMM Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)cc2)n1 ZINC000102931022 560835476 /nfs/dbraw/zinc/83/54/76/560835476.db2.gz GVFDWYLCZCJLEU-SELCWUDQSA-N -1 1 410.882 4.731 50 30 HJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)no1 ZINC000005800538 568735568 /nfs/dbraw/zinc/73/55/68/568735568.db2.gz FSCWRMDCZOYEJL-NRFANRHFSA-N -1 1 402.450 4.889 50 30 HJEAMM CC(C)CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005858713 568826083 /nfs/dbraw/zinc/82/60/83/568826083.db2.gz ZHCKGMVHYQUCDV-QGZVFWFLSA-N -1 1 424.570 4.504 50 30 HJEAMM Cc1ccc([C@H]2c3c(=O)[n-]c(SC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)s1 ZINC000004150295 568946723 /nfs/dbraw/zinc/94/67/23/568946723.db2.gz GQHYUOOAHFJHKX-MRXNPFEDSA-N -1 1 415.584 4.841 50 30 HJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)no1 ZINC000008996866 571209091 /nfs/dbraw/zinc/20/90/91/571209091.db2.gz ZOHVEKOXIHPTKD-SFHVURJKSA-N -1 1 406.419 4.574 50 30 HJEAMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc4c(c3)NC(=O)CS4)n2)cc1 ZINC000041513876 525785908 /nfs/dbraw/zinc/78/59/08/525785908.db2.gz VACLZWHRQMVCJL-HNNXBMFYSA-N -1 1 405.504 4.653 50 30 HJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000004014548 557505032 /nfs/dbraw/zinc/50/50/32/557505032.db2.gz MSFQDBGUEJNJAY-SFHVURJKSA-N -1 1 412.804 4.558 50 30 HJEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccccc2F)sc1C ZINC000004312430 557539600 /nfs/dbraw/zinc/53/96/00/557539600.db2.gz IXGUQNVMEUTKMJ-INIZCTEOSA-N -1 1 414.483 4.743 50 30 HJEAMM CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nncs2)cc1 ZINC000005817202 557676186 /nfs/dbraw/zinc/67/61/86/557676186.db2.gz OWNMBQXXFRQTMN-GOSISDBHSA-N -1 1 419.506 4.619 50 30 HJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000009274102 557834352 /nfs/dbraw/zinc/83/43/52/557834352.db2.gz USAPVZRYOZBWHN-LJQANCHMSA-N -1 1 420.490 4.633 50 30 HJEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000013118815 558516800 /nfs/dbraw/zinc/51/68/00/558516800.db2.gz GVOVVJTUXJVSPJ-HXUWFJFHSA-N -1 1 420.852 4.527 50 30 HJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000013118815 558516802 /nfs/dbraw/zinc/51/68/02/558516802.db2.gz GVOVVJTUXJVSPJ-HXUWFJFHSA-N -1 1 420.852 4.527 50 30 HJEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000013118816 558516820 /nfs/dbraw/zinc/51/68/20/558516820.db2.gz GVOVVJTUXJVSPJ-FQEVSTJZSA-N -1 1 420.852 4.527 50 30 HJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000013118816 558516823 /nfs/dbraw/zinc/51/68/23/558516823.db2.gz GVOVVJTUXJVSPJ-FQEVSTJZSA-N -1 1 420.852 4.527 50 30 HJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nncs3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000019138008 558846472 /nfs/dbraw/zinc/84/64/72/558846472.db2.gz BQONSNKJBVVGTG-LJQANCHMSA-N -1 1 419.506 4.753 50 30 HJEAMM COc1cc(C=Nn2c(C)n[n-]c2=S)ccc1OCc1c(F)cccc1Cl ZINC000005521103 560605358 /nfs/dbraw/zinc/60/53/58/560605358.db2.gz DZGBMZWTFJLJJA-ZVBGSRNCSA-N -1 1 406.870 4.511 50 30 HJEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102601990 560817720 /nfs/dbraw/zinc/81/77/20/560817720.db2.gz ITUNQFROUGPCTJ-MRJHHRETSA-N -1 1 414.417 4.530 50 30 HJEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(F)cc1 ZINC000102709490 560820948 /nfs/dbraw/zinc/82/09/48/560820948.db2.gz XFVAIDARCDJGSR-SELCWUDQSA-N -1 1 420.421 4.655 50 30 HJEAMM Cc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000102709931 560820976 /nfs/dbraw/zinc/82/09/76/560820976.db2.gz CBWPRSAGSMRGQK-WOOAAIBNSA-N -1 1 416.458 4.824 50 30 HJEAMM Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000102709931 560820978 /nfs/dbraw/zinc/82/09/78/560820978.db2.gz CBWPRSAGSMRGQK-WOOAAIBNSA-N -1 1 416.458 4.824 50 30 HJEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(O)cc2)cc1Cl ZINC000102802959 560826354 /nfs/dbraw/zinc/82/63/54/560826354.db2.gz CXCPAPZMXWLCGK-JBCNATCCSA-N -1 1 419.864 4.980 50 30 HJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)s1 ZINC000102803856 560826650 /nfs/dbraw/zinc/82/66/50/560826650.db2.gz YIKMGGFYGJEZGB-LFVOPCPISA-N -1 1 419.506 4.596 50 30 HJEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2F)sc1C ZINC000102864270 560832434 /nfs/dbraw/zinc/83/24/34/560832434.db2.gz KDGCNAUPFDFQEG-WOOAAIBNSA-N -1 1 422.481 4.834 50 30 HJEAMM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2ccccc2)sc1C ZINC000005800389 568735299 /nfs/dbraw/zinc/73/52/99/568735299.db2.gz RMSBFYPVLDEBNC-GOSISDBHSA-N -1 1 408.454 4.682 50 30 HJEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)sc1C ZINC000005800389 568735300 /nfs/dbraw/zinc/73/53/00/568735300.db2.gz RMSBFYPVLDEBNC-GOSISDBHSA-N -1 1 408.454 4.682 50 30 HJEAMM C=CCc1ccccc1OCCn1cc(C=C2SC(=S)[N-]C2=O)c2ccccc21 ZINC000001205401 568823727 /nfs/dbraw/zinc/82/37/27/568823727.db2.gz RGWZQVXFLPNQOU-STZFKDTASA-N -1 1 420.559 4.938 50 30 HJEAMM O=S(=O)([N-]c1ccc(C#Cc2ccccc2)cc1)c1ccc(Br)cc1 ZINC000001384310 568922201 /nfs/dbraw/zinc/92/22/01/568922201.db2.gz USOBMGNXBPSHHD-UHFFFAOYSA-N -1 1 412.308 4.650 50 30 HJEAMM COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)c1 ZINC000008817468 571121438 /nfs/dbraw/zinc/12/14/38/571121438.db2.gz AYGPQWUKYDHIQY-LJQANCHMSA-N -1 1 420.490 4.551 50 30 HJEAMM CCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000008895201 571143398 /nfs/dbraw/zinc/14/33/98/571143398.db2.gz SIZGTNZGZGCCBK-LJQANCHMSA-N -1 1 424.478 4.616 50 30 HJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C)cc2)no1 ZINC000008996340 571208865 /nfs/dbraw/zinc/20/88/65/571208865.db2.gz YACPFLXDNPGORQ-NRFANRHFSA-N -1 1 414.417 4.821 50 30 HJEAMM Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCCCC(=O)[O-])[C@H]2c2ccc(C)cc2)cc1 ZINC000019831033 526021769 /nfs/dbraw/zinc/02/17/69/526021769.db2.gz IOLVOCKLZKDXGB-QFIPXVFZSA-N -1 1 421.493 4.527 50 30 HJEAMM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(F)cc2)no1 ZINC000001062832 557164658 /nfs/dbraw/zinc/16/46/58/557164658.db2.gz SWWRNBKUHGSXFT-FQEVSTJZSA-N -1 1 420.440 4.894 50 30 HJEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)no1 ZINC000001062832 557164662 /nfs/dbraw/zinc/16/46/62/557164662.db2.gz SWWRNBKUHGSXFT-FQEVSTJZSA-N -1 1 420.440 4.894 50 30 HJEAMM Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)n1 ZINC000004623849 557573773 /nfs/dbraw/zinc/57/37/73/557573773.db2.gz LFHWBLMULRERCC-HXUWFJFHSA-N -1 1 404.853 4.826 50 30 HJEAMM O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000005061386 557632831 /nfs/dbraw/zinc/63/28/31/557632831.db2.gz SKSFSPUSFBIRNC-IBGZPJMESA-N -1 1 408.816 4.657 50 30 HJEAMM CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000033173643 558901874 /nfs/dbraw/zinc/90/18/74/558901874.db2.gz AUYNCULQXUDKNA-UHFFFAOYSA-N -1 1 421.400 4.595 50 30 HJEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccccc2)cc1 ZINC000100342915 559195861 /nfs/dbraw/zinc/19/58/61/559195861.db2.gz PFWSAMONBAYKQY-MRJHHRETSA-N -1 1 419.864 4.975 50 30 HJEAMM CC(C)c1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2cccs2)s1 ZINC000013733142 560827760 /nfs/dbraw/zinc/82/77/60/560827760.db2.gz ZEEAZBFEJROLCQ-CYBMUJFWSA-N -1 1 417.537 4.567 50 30 HJEAMM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2ccccc2)sc1C ZINC000102925304 560834386 /nfs/dbraw/zinc/83/43/86/560834386.db2.gz USTFMBZIWINNNZ-GHNGSUTGSA-N -1 1 408.454 4.525 50 30 HJEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)sc1C ZINC000102925304 560834387 /nfs/dbraw/zinc/83/43/87/560834387.db2.gz USTFMBZIWINNNZ-GHNGSUTGSA-N -1 1 408.454 4.525 50 30 HJEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccccc1Cl)c1ccc(F)cc1 ZINC000000934475 568751717 /nfs/dbraw/zinc/75/17/17/568751717.db2.gz IYDDBJKZYXJJKD-INIZCTEOSA-N -1 1 414.845 4.719 50 30 HJEAMM CCN(CC)[C@@H](S)Sc1c([O-])cc(-c2ccccc2)n(-c2ccccc2)c1=O ZINC000004062635 568881770 /nfs/dbraw/zinc/88/17/70/568881770.db2.gz VYGVVPRMMNXYQM-QFIPXVFZSA-N -1 1 412.580 4.857 50 30 HJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000001450319 568986111 /nfs/dbraw/zinc/98/61/11/568986111.db2.gz RGMICJJAZIOCGO-MRXNPFEDSA-N -1 1 419.220 4.666 50 30 HJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)no1 ZINC000006295265 569038188 /nfs/dbraw/zinc/03/81/88/569038188.db2.gz OMKJVMZZFXWPQO-SFHVURJKSA-N -1 1 412.804 4.558 50 30 HJEAMM Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)cc2)n1 ZINC000006813373 569136839 /nfs/dbraw/zinc/13/68/39/569136839.db2.gz AXHQBIDRWJWHDU-GOSISDBHSA-N -1 1 410.882 4.888 50 30 HJEAMM Oc1ccc(Br)cc1C=NNc1ccnc(SCc2ccccc2)n1 ZINC000009031792 571212693 /nfs/dbraw/zinc/21/26/93/571212693.db2.gz YZMOSJNPFJGDBJ-SRZZPIQSSA-N -1 1 415.316 4.683 50 30 HJEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccccc3)sc2c1 ZINC000009302052 571246126 /nfs/dbraw/zinc/24/61/26/571246126.db2.gz YEFANLJBQRYJNJ-IBGZPJMESA-N -1 1 416.458 4.981 50 30 HJEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccccc3)sc2c1 ZINC000009302052 571246127 /nfs/dbraw/zinc/24/61/27/571246127.db2.gz YEFANLJBQRYJNJ-IBGZPJMESA-N -1 1 416.458 4.981 50 30 HJEAMM C=CCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)[N-]C1=S ZINC000033334335 518832323 /nfs/dbraw/zinc/83/23/23/518832323.db2.gz ZJUXWPOZZYUDAG-PDGQHHTCSA-N -1 1 412.898 4.572 50 30 HJEAMM Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCC(=O)[O-])[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000017123619 526020967 /nfs/dbraw/zinc/02/09/67/526020967.db2.gz JGARBDNWGBLAHY-JOCHJYFZSA-N -1 1 421.493 4.562 50 30 HJEAMM O=C1CCCC2=C1[C@@H](c1cccs1)c1c(=O)[n-]c(SCc3ccccc3)nc1N2 ZINC000002719206 557369875 /nfs/dbraw/zinc/36/98/75/557369875.db2.gz LRAOKMAZEJMFSJ-GOSISDBHSA-N -1 1 421.547 4.688 50 30 HJEAMM O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000005409314 557651972 /nfs/dbraw/zinc/65/19/72/557651972.db2.gz APKUBVPVWGAPDQ-LJQANCHMSA-N -1 1 408.816 4.657 50 30 HJEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000005409314 557651974 /nfs/dbraw/zinc/65/19/74/557651974.db2.gz APKUBVPVWGAPDQ-LJQANCHMSA-N -1 1 408.816 4.657 50 30 HJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(O)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000005446228 557654402 /nfs/dbraw/zinc/65/44/02/557654402.db2.gz SAJIJCOZJIHLFV-OAQYLSRUSA-N -1 1 403.409 4.623 50 30 HJEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)sc1C ZINC000005490362 557657341 /nfs/dbraw/zinc/65/73/41/557657341.db2.gz ZCHJNLHISTYJPV-GOSISDBHSA-N -1 1 408.454 4.682 50 30 HJEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(F)cc2)cc1 ZINC000009012954 557819053 /nfs/dbraw/zinc/81/90/53/557819053.db2.gz IUWUDSUVNISLAF-NRFANRHFSA-N -1 1 403.409 4.617 50 30 HJEAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1F)C1=C(CC(C)(C)CC1=O)N2 ZINC000016807388 558807613 /nfs/dbraw/zinc/80/76/13/558807613.db2.gz 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CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000009456696 571260237 /nfs/dbraw/zinc/26/02/37/571260237.db2.gz VKKYWBJXTIIYIV-HXUWFJFHSA-N -1 1 422.868 4.982 50 30 HJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000000633354 557028152 /nfs/dbraw/zinc/02/81/52/557028152.db2.gz IRCJZQBVDJIUMD-KRWDZBQOSA-N -1 1 423.494 4.520 50 30 HJEAMM C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C)s1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004150309 557520661 /nfs/dbraw/zinc/52/06/61/557520661.db2.gz LTLPUNDLGYIJMJ-MRXNPFEDSA-N -1 1 413.568 4.619 50 30 HJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(O)cc3)[C@H]2c2cccc(F)c2)cc1 ZINC000005446106 557654265 /nfs/dbraw/zinc/65/42/65/557654265.db2.gz VPIKOJOWRVMMKC-NRFANRHFSA-N -1 1 403.409 4.623 50 30 HJEAMM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(F)cc2)sc1C ZINC000005800394 557675367 /nfs/dbraw/zinc/67/53/67/557675367.db2.gz WFQGRFNLGFNSHH-SFHVURJKSA-N -1 1 408.454 4.682 50 30 HJEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)sc1C ZINC000005800394 557675371 /nfs/dbraw/zinc/67/53/71/557675371.db2.gz WFQGRFNLGFNSHH-SFHVURJKSA-N -1 1 408.454 4.682 50 30 HJEAMM CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nncs2)cc1 ZINC000005817205 557676131 /nfs/dbraw/zinc/67/61/31/557676131.db2.gz OWNMBQXXFRQTMN-SFHVURJKSA-N -1 1 419.506 4.619 50 30 HJEAMM Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000009012729 557819104 /nfs/dbraw/zinc/81/91/04/557819104.db2.gz YFGAUVULTKEIAC-OAQYLSRUSA-N -1 1 414.417 4.686 50 30 HJEAMM COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1nc(C)c(C)s1 ZINC000009301886 557835276 /nfs/dbraw/zinc/83/52/76/557835276.db2.gz SCCIEISSAYKEKU-IBGZPJMESA-N -1 1 420.490 4.551 50 30 HJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000016994280 558811320 /nfs/dbraw/zinc/81/13/20/558811320.db2.gz PRCYJZMAZLRLDL-NRFANRHFSA-N -1 1 414.417 4.686 50 30 HJEAMM COc1cc(/C=N/c2c(-c3ccco3)nc3ccccn32)cc(Br)c1[O-] ZINC000100540321 559136259 /nfs/dbraw/zinc/13/62/59/559136259.db2.gz NBESCRZOGMGZLP-SRZZPIQSSA-N -1 1 412.243 4.822 50 30 HJEAMM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2ccc(C(C)C)cc2)no1 ZINC000102703211 560820329 /nfs/dbraw/zinc/82/03/29/560820329.db2.gz JVRWCHWMRXORDQ-JBCNATCCSA-N -1 1 420.440 4.872 50 30 HJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)C)cc2)no1 ZINC000102703211 560820330 /nfs/dbraw/zinc/82/03/30/560820330.db2.gz JVRWCHWMRXORDQ-JBCNATCCSA-N -1 1 420.440 4.872 50 30 HJEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(F)cc2)sc1C ZINC000102880639 560833767 /nfs/dbraw/zinc/83/37/67/560833767.db2.gz CDYFMGPYLLGYTE-IBOXJLQUSA-N -1 1 414.483 4.587 50 30 HJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000104196935 560849626 /nfs/dbraw/zinc/84/96/26/560849626.db2.gz HPRNULDNQOLRFF-HVESIFNPSA-N -1 1 410.882 4.731 50 30 HJEAMM Cc1c(/N=C/c2cc(Br)cc(Br)c2O)cccc1C(=O)[O-] ZINC000001957729 569059978 /nfs/dbraw/zinc/05/99/78/569059978.db2.gz ARODOYFAWYMBKK-CNHKJKLMSA-N -1 1 413.065 4.674 50 30 HJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccco2)cc1 ZINC000013127466 569211423 /nfs/dbraw/zinc/21/14/23/569211423.db2.gz HZWLCERKQSGFRA-GOSISDBHSA-N -1 1 424.478 4.535 50 30 HJEAMM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)CCCCCCCCCC3)n1 ZINC000000653594 569383988 /nfs/dbraw/zinc/38/39/88/569383988.db2.gz XIHMKDWVGGUCST-UHFFFAOYSA-N -1 1 415.519 4.733 50 30 HJEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(F)cc1 ZINC000008827759 571122513 /nfs/dbraw/zinc/12/25/13/571122513.db2.gz CSCRXXVEUCNFQX-GOSISDBHSA-N -1 1 420.421 4.811 50 30 HJEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccccc3)sc2c1 ZINC000009302051 571246063 /nfs/dbraw/zinc/24/60/63/571246063.db2.gz YEFANLJBQRYJNJ-LJQANCHMSA-N -1 1 416.458 4.981 50 30 HJEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccccc3)sc2c1 ZINC000009302051 571246064 /nfs/dbraw/zinc/24/60/64/571246064.db2.gz YEFANLJBQRYJNJ-LJQANCHMSA-N -1 1 416.458 4.981 50 30 HJEAMM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@H]2c2ccccc2)no1 ZINC000009328518 571248462 /nfs/dbraw/zinc/24/84/62/571248462.db2.gz JHMZPBYGKDLIHC-HXUWFJFHSA-N -1 1 400.390 4.512 50 30 HJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccc2)no1 ZINC000009328518 571248463 /nfs/dbraw/zinc/24/84/63/571248463.db2.gz JHMZPBYGKDLIHC-HXUWFJFHSA-N -1 1 400.390 4.512 50 30 HJEAMM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)o3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000102803649 525047150 /nfs/dbraw/zinc/04/71/50/525047150.db2.gz FWVCEDPEQDROHU-NHFXJNLRSA-N -1 1 420.465 4.808 50 30 HJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)o1 ZINC000102803649 525047154 /nfs/dbraw/zinc/04/71/54/525047154.db2.gz FWVCEDPEQDROHU-NHFXJNLRSA-N -1 1 420.465 4.808 50 30 HJEAMM O=C1C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H](c2cccc(F)c2)C1=C([O-])c1ccccc1 ZINC000000856618 557103097 /nfs/dbraw/zinc/10/30/97/557103097.db2.gz JTSPSWYDKHMJNF-HXUWFJFHSA-N -1 1 418.380 4.517 50 30 HJEAMM O=C(C1=C([O-])C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000000856618 557103101 /nfs/dbraw/zinc/10/31/01/557103101.db2.gz JTSPSWYDKHMJNF-HXUWFJFHSA-N -1 1 418.380 4.517 50 30 HJEAMM O=C1CCCC2=C1[C@H](c1cccs1)c1c(=O)[n-]c(SCc3ccccc3)nc1N2 ZINC000002719207 557369839 /nfs/dbraw/zinc/36/98/39/557369839.db2.gz LRAOKMAZEJMFSJ-SFHVURJKSA-N -1 1 421.547 4.688 50 30 HJEAMM Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000004312146 557539373 /nfs/dbraw/zinc/53/93/73/557539373.db2.gz QOVCYFHIWDOKRR-FQEVSTJZSA-N -1 1 404.853 4.826 50 30 HJEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000008738652 557803299 /nfs/dbraw/zinc/80/32/99/557803299.db2.gz MBYWBMXSHGPUIH-MRXNPFEDSA-N -1 1 414.845 4.719 50 30 HJEAMM CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)CCC(=O)[O-])[C@H]2c2ccccc2)C1 ZINC000009482776 557844066 /nfs/dbraw/zinc/84/40/66/557844066.db2.gz TXFALCZEROYVKC-DEOSSOPVSA-N -1 1 418.493 4.694 50 30 HJEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000013080687 558512426 /nfs/dbraw/zinc/51/24/26/558512426.db2.gz UMTCOFNTSXWULO-FQEVSTJZSA-N -1 1 418.380 4.517 50 30 HJEAMM COc1ccccc1/C=C1\Oc2c(ccc([O-])c2CN(C)Cc2ccccc2)C1=O ZINC000013554251 558843387 /nfs/dbraw/zinc/84/33/87/558843387.db2.gz RYKZMSUEUGNRBU-UCQKPKSFSA-N -1 1 401.462 4.649 50 30 HJEAMM C=CCN1C(=O)N(c2ccc(C)cc2)[C@H](N([O-])C(=O)Nc2ccc(C)cc2)C1(C)C ZINC000004732474 559033081 /nfs/dbraw/zinc/03/30/81/559033081.db2.gz MEXXPZFAISZLQM-HXUWFJFHSA-N -1 1 408.502 4.759 50 30 HJEAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)/C=C\c3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000098053790 559058037 /nfs/dbraw/zinc/05/80/37/559058037.db2.gz BNMNZJFPJNDTKP-GDNBJRDFSA-N -1 1 422.462 4.600 50 30 HJEAMM O=C(C1=C([O-])C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(O)cc1)c1ccccc1 ZINC000004813445 559069655 /nfs/dbraw/zinc/06/96/55/559069655.db2.gz ICRYQOWVBKCLMQ-FQEVSTJZSA-N -1 1 405.837 4.829 50 30 HJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)no1 ZINC000102707079 560820622 /nfs/dbraw/zinc/82/06/22/560820622.db2.gz ASPHLRNLKBRIFK-LFVOPCPISA-N -1 1 408.841 4.571 50 30 HJEAMM CCc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102861138 560831688 /nfs/dbraw/zinc/83/16/88/560831688.db2.gz MBUBJBDGLAXOFV-YDJIHCHBSA-N -1 1 422.868 4.825 50 30 HJEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102861138 560831690 /nfs/dbraw/zinc/83/16/90/560831690.db2.gz MBUBJBDGLAXOFV-YDJIHCHBSA-N -1 1 422.868 4.825 50 30 HJEAMM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(F)cc2)sc1C ZINC000102860701 560831735 /nfs/dbraw/zinc/83/17/35/560831735.db2.gz DEZVYFGFIPKGLC-GHNGSUTGSA-N -1 1 408.454 4.525 50 30 HJEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)sc1C ZINC000102860701 560831737 /nfs/dbraw/zinc/83/17/37/560831737.db2.gz DEZVYFGFIPKGLC-GHNGSUTGSA-N -1 1 408.454 4.525 50 30 HJEAMM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000102926507 560834376 /nfs/dbraw/zinc/83/43/76/560834376.db2.gz OHPBBLVHCBXSTL-JBCNATCCSA-N -1 1 419.864 4.975 50 30 HJEAMM CN(Cc1ccccc1)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 ZINC000020533354 568629655 /nfs/dbraw/zinc/62/96/55/568629655.db2.gz RATFXMYCNLGULU-XKZIYDEJSA-N -1 1 416.433 4.549 50 30 HJEAMM CCc1ccc([C@H]2c3c(=O)[n-]c(S[C@@H](C)CC)nc3NC3=C2C(=O)CCC3)cc1 ZINC000000937267 568751894 /nfs/dbraw/zinc/75/18/94/568751894.db2.gz XKYKZNTZKXRAAX-SCLBCKFNSA-N -1 1 409.555 4.787 50 30 HJEAMM CC[C@@H](C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 ZINC000000937261 568751960 /nfs/dbraw/zinc/75/19/60/568751960.db2.gz VHZHUMRQUOZCHB-BZNIZROVSA-N -1 1 415.946 4.878 50 30 HJEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000104187649 569050351 /nfs/dbraw/zinc/05/03/51/569050351.db2.gz IJRLLKFEXDWBSI-IBOXJLQUSA-N -1 1 414.845 4.562 50 30 HJEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccco2)cc1 ZINC000013127468 569211340 /nfs/dbraw/zinc/21/13/40/569211340.db2.gz HZWLCERKQSGFRA-SFHVURJKSA-N -1 1 424.478 4.535 50 30 HJEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2)cc1Cl ZINC000009071578 571218534 /nfs/dbraw/zinc/21/85/34/571218534.db2.gz SMRPZLKGVOIYAF-HXUWFJFHSA-N -1 1 420.852 4.527 50 30 HJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccccc2)cc1Cl ZINC000009071578 571218537 /nfs/dbraw/zinc/21/85/37/571218537.db2.gz SMRPZLKGVOIYAF-HXUWFJFHSA-N -1 1 420.852 4.527 50 30 HJEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccccc1 ZINC000009271239 571244325 /nfs/dbraw/zinc/24/43/25/571244325.db2.gz LNKCPKIZFKOFDB-GOSISDBHSA-N -1 1 420.421 4.811 50 30 HJEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccccc1 ZINC000009271240 571244371 /nfs/dbraw/zinc/24/43/71/571244371.db2.gz LNKCPKIZFKOFDB-SFHVURJKSA-N -1 1 420.421 4.811 50 30 HJEAMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc4c(c3)NC(=O)CS4)n2)cc1 ZINC000041513879 525785885 /nfs/dbraw/zinc/78/58/85/525785885.db2.gz VACLZWHRQMVCJL-OAHLLOKOSA-N -1 1 405.504 4.653 50 30 HJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(O)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000005446232 557654177 /nfs/dbraw/zinc/65/41/77/557654177.db2.gz HSROJQBVWIRZEY-OAQYLSRUSA-N -1 1 403.409 4.623 50 30 HJEAMM O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccccc1 ZINC000009089357 557822592 /nfs/dbraw/zinc/82/25/92/557822592.db2.gz QQSOXCGBKPBROS-HXUWFJFHSA-N -1 1 418.380 4.517 50 30 HJEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000009089357 557822593 /nfs/dbraw/zinc/82/25/93/557822593.db2.gz QQSOXCGBKPBROS-HXUWFJFHSA-N -1 1 418.380 4.517 50 30 HJEAMM COc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)c1 ZINC000005445768 558476523 /nfs/dbraw/zinc/47/65/23/558476523.db2.gz UROIGISMCDHTDM-OAQYLSRUSA-N -1 1 403.409 4.617 50 30 HJEAMM Cc1ccc(C(=O)C=C([O-])C(=O)Nc2cc(C)c(C)cc2Br)c(C)c1 ZINC000101355133 560792283 /nfs/dbraw/zinc/79/22/83/560792283.db2.gz GZOPYSQELKHDPJ-GRSHGNNSSA-N -1 1 402.288 4.946 50 30 HJEAMM CC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)cc1 ZINC000101621178 560797712 /nfs/dbraw/zinc/79/77/12/560797712.db2.gz BFYOCTQCBOYNJV-MOBKVPTQSA-N -1 1 415.420 4.655 50 30 HJEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2)cc1 ZINC000102574218 560816764 /nfs/dbraw/zinc/81/67/64/560816764.db2.gz YTMOZJBPDPMRDR-MRJHHRETSA-N -1 1 414.417 4.530 50 30 HJEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(O)cc2)cc1Cl ZINC000102802961 560826276 /nfs/dbraw/zinc/82/62/76/560826276.db2.gz CXCPAPZMXWLCGK-MRJHHRETSA-N -1 1 419.864 4.980 50 30 HJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000102803282 560826483 /nfs/dbraw/zinc/82/64/83/560826483.db2.gz RHIZQEBHIRNABX-LFVOPCPISA-N -1 1 422.506 4.968 50 30 HJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000104107679 560848264 /nfs/dbraw/zinc/84/82/64/560848264.db2.gz JWEDJTGGNGBWRQ-MRJHHRETSA-N -1 1 414.417 4.530 50 30 HJEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000000934474 568751637 /nfs/dbraw/zinc/75/16/37/568751637.db2.gz FEVXRRLOHFCPSF-MRXNPFEDSA-N -1 1 414.845 4.719 50 30 HJEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccccc1Cl)c1ccc(F)cc1 ZINC000000934476 568751698 /nfs/dbraw/zinc/75/16/98/568751698.db2.gz IYDDBJKZYXJJKD-MRXNPFEDSA-N -1 1 414.845 4.719 50 30 HJEAMM CCc1ccc([C@@H]2c3c(=O)[n-]c(S[C@@H](C)CC)nc3NC3=C2C(=O)CCC3)cc1 ZINC000000937268 568751799 /nfs/dbraw/zinc/75/17/99/568751799.db2.gz XKYKZNTZKXRAAX-UGSOOPFHSA-N -1 1 409.555 4.787 50 30 HJEAMM C=C(C)COc1ccc(-c2c3cnn(C)c3[nH]c3c2oc2cc([O-])cc(=O)c23)cc1 ZINC000524731280 569212272 /nfs/dbraw/zinc/21/22/72/569212272.db2.gz REOJINSKJFBDBK-UHFFFAOYSA-N -1 1 401.422 4.901 50 30 biogenic HJEAMM Cc1nc2cc(N=Cc3cc(Br)c(Br)cc3[O-])ccc2[nH]1 ZINC000252626779 569310742 /nfs/dbraw/zinc/31/07/42/569310742.db2.gz RFNSFLQKYALFLM-UHFFFAOYSA-N -1 1 409.081 4.853 50 30 HJEAMM COc1cccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)c1 ZINC000008817469 571121314 /nfs/dbraw/zinc/12/13/14/571121314.db2.gz AYGPQWUKYDHIQY-IBGZPJMESA-N -1 1 420.490 4.551 50 30 HJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)s1 ZINC000008996351 571208848 /nfs/dbraw/zinc/20/88/48/571208848.db2.gz NNUIYEGDOWBANC-LJQANCHMSA-N -1 1 419.506 4.753 50 30 HJEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccccn2)cc1 ZINC000000836256 557096414 /nfs/dbraw/zinc/09/64/14/557096414.db2.gz OPVALUYWVBVWTK-HXUWFJFHSA-N -1 1 420.852 4.527 50 30 HJEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccccn2)cc1 ZINC000000836256 557096415 /nfs/dbraw/zinc/09/64/15/557096415.db2.gz OPVALUYWVBVWTK-HXUWFJFHSA-N -1 1 420.852 4.527 50 30 HJEAMM O=C1C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(F)cc2)C1=C([O-])c1ccccc1 ZINC000000856613 557102770 /nfs/dbraw/zinc/10/27/70/557102770.db2.gz XYVWQIZGJUEUSM-FQEVSTJZSA-N -1 1 418.380 4.517 50 30 HJEAMM O=C(C1=C([O-])C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000000856613 557102773 /nfs/dbraw/zinc/10/27/73/557102773.db2.gz XYVWQIZGJUEUSM-FQEVSTJZSA-N -1 1 418.380 4.517 50 30 HJEAMM COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1ccc(F)cc1 ZINC000005595705 557663945 /nfs/dbraw/zinc/66/39/45/557663945.db2.gz VQEJYZUFVCGARO-NRFANRHFSA-N -1 1 403.409 4.617 50 30 HJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(F)cc2)no1 ZINC000013553057 558539902 /nfs/dbraw/zinc/53/99/02/558539902.db2.gz XWLBXPFPILLSRN-FQEVSTJZSA-N -1 1 418.380 4.651 50 30 HJEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccs1)c1ccc(Cl)cc1 ZINC000005483229 560596441 /nfs/dbraw/zinc/59/64/41/560596441.db2.gz RNDOXZSRVKASER-AWEZNQCLSA-N -1 1 402.884 4.641 50 30 HJEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(Cl)c2)cc1 ZINC000102803216 560826478 /nfs/dbraw/zinc/82/64/78/560826478.db2.gz MRCRWLWLXAJOSS-MRJHHRETSA-N -1 1 419.864 4.975 50 30 HJEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(C)cc2)sc1C ZINC000102879961 560833690 /nfs/dbraw/zinc/83/36/90/560833690.db2.gz XCLMISQERPYBDJ-GROYHEBESA-N -1 1 410.520 4.756 50 30 HJEAMM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2ccccc2)sc1C ZINC000102925303 560834349 /nfs/dbraw/zinc/83/43/49/560834349.db2.gz USTFMBZIWINNNZ-SELCWUDQSA-N -1 1 408.454 4.525 50 30 HJEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)sc1C ZINC000102925303 560834350 /nfs/dbraw/zinc/83/43/50/560834350.db2.gz USTFMBZIWINNNZ-SELCWUDQSA-N -1 1 408.454 4.525 50 30 HJEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2)cc1 ZINC000006187890 569029658 /nfs/dbraw/zinc/02/96/58/569029658.db2.gz CRJDZPPDQNSEDH-OAQYLSRUSA-N -1 1 414.417 4.686 50 30 HJEAMM Cc1oc(-n2cccc2)c(C#N)c1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000019683612 569428374 /nfs/dbraw/zinc/42/83/74/569428374.db2.gz KYFBNMVLGUFFTC-UHFFFAOYSA-N -1 1 421.507 4.647 50 30 HJEAMM Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccccn2)cc1 ZINC000008996440 571208772 /nfs/dbraw/zinc/20/87/72/571208772.db2.gz QHMQTLSSPCHZPT-HXUWFJFHSA-N -1 1 404.853 4.826 50 30 HJEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccc(F)cc2)cc1 ZINC000009110199 571222738 /nfs/dbraw/zinc/22/27/38/571222738.db2.gz TWYLRCYHTQUNPW-JOCHJYFZSA-N -1 1 417.436 4.926 50 30 HJEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1Cl ZINC000009241342 571240739 /nfs/dbraw/zinc/24/07/39/571240739.db2.gz SMRPZLKGVOIYAF-FQEVSTJZSA-N -1 1 420.852 4.527 50 30 HJEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1Cl ZINC000009241342 571240742 /nfs/dbraw/zinc/24/07/42/571240742.db2.gz SMRPZLKGVOIYAF-FQEVSTJZSA-N -1 1 420.852 4.527 50 30 HJEAMM Cc1ccc([C@H]2c3c(=O)[n-]c(SCCC(C)C)nc3NC3=C2C(=O)CCC3)s1 ZINC000035449590 526047383 /nfs/dbraw/zinc/04/73/83/526047383.db2.gz DULOEBVEMAGELL-QGZVFWFLSA-N -1 1 415.584 4.843 50 30 HJEAMM CCc1ccc(C(=O)C=CNc2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000004567346 557568476 /nfs/dbraw/zinc/56/84/76/557568476.db2.gz CLDFUNDUGPOJNB-MSUUIHNZSA-N -1 1 406.507 4.858 50 30 HJEAMM CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 ZINC000005563395 557662174 /nfs/dbraw/zinc/66/21/74/557662174.db2.gz PBXMDXUYIOLRNZ-QFIPXVFZSA-N -1 1 414.461 4.652 50 30 HJEAMM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000008914288 557813990 /nfs/dbraw/zinc/81/39/90/557813990.db2.gz FRSUPPCMYIVBDN-LJQANCHMSA-N -1 1 406.438 4.656 50 30 HJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000008914288 557813993 /nfs/dbraw/zinc/81/39/93/557813993.db2.gz FRSUPPCMYIVBDN-LJQANCHMSA-N -1 1 406.438 4.656 50 30 HJEAMM O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccccc1 ZINC000009089356 557822596 /nfs/dbraw/zinc/82/25/96/557822596.db2.gz QQSOXCGBKPBROS-FQEVSTJZSA-N -1 1 418.380 4.517 50 30 HJEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000009089356 557822598 /nfs/dbraw/zinc/82/25/98/557822598.db2.gz QQSOXCGBKPBROS-FQEVSTJZSA-N -1 1 418.380 4.517 50 30 HJEAMM CCn1c2ccccc2nc1/N=C/c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000004599985 558835452 /nfs/dbraw/zinc/83/54/52/558835452.db2.gz CQCBFZGJWQRLMV-LFVJCYFKSA-N -1 1 418.522 4.916 50 30 HJEAMM CC1(C)SC(=S)N(/N=C/c2ccccc2F)[C@H]1N([O-])C(=O)Nc1ccccc1 ZINC000004795000 559066292 /nfs/dbraw/zinc/06/62/92/559066292.db2.gz HVNVNQRRAFMDLP-GKXUUXLPSA-N -1 1 418.519 4.521 50 30 HJEAMM CCOc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)cc1 ZINC000102542592 560814532 /nfs/dbraw/zinc/81/45/32/560814532.db2.gz FNYUVRSULYUFTQ-HOGKFDNTSA-N -1 1 417.436 4.851 50 30 HJEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 ZINC000102613469 560818066 /nfs/dbraw/zinc/81/80/66/560818066.db2.gz 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4.516 50 30 HJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(Cl)c2)no1 ZINC000102925173 560834225 /nfs/dbraw/zinc/83/42/25/560834225.db2.gz HFSSMRGYVRPMFG-WOOAAIBNSA-N -1 1 408.841 4.571 50 30 HJEAMM CC(=NNc1ccc(Br)cc1)c1cc2c(C)cc(=O)oc2c(C)c1[O-] ZINC000096343761 568737143 /nfs/dbraw/zinc/73/71/43/568737143.db2.gz STXITMOECJGUPQ-MTJSOVHGSA-N -1 1 401.260 4.714 50 30 HJEAMM CC(C)CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005858738 568826062 /nfs/dbraw/zinc/82/60/62/568826062.db2.gz AXFSPBHAYWIYEQ-KRWDZBQOSA-N -1 1 424.570 4.504 50 30 HJEAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C)s1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005923849 568829895 /nfs/dbraw/zinc/82/98/95/568829895.db2.gz GAGJHYDRNORHEY-INIZCTEOSA-N -1 1 415.584 4.843 50 30 HJEAMM CC[C@H](C)Sc1nc2c(c(=O)[n-]1)[C@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 ZINC000006005257 568835118 /nfs/dbraw/zinc/83/51/18/568835118.db2.gz MCHHEGPADYVLIZ-MEDUHNTESA-N -1 1 415.584 4.923 50 30 HJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccccc2Cl)cc1 ZINC000005446131 568907069 /nfs/dbraw/zinc/90/70/69/568907069.db2.gz WQSDLGIATVZKFT-FQEVSTJZSA-N -1 1 404.853 4.826 50 30 HJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000005446245 568907085 /nfs/dbraw/zinc/90/70/85/568907085.db2.gz FFBMCFFWPVTHHK-HXUWFJFHSA-N -1 1 404.853 4.826 50 30 HJEAMM C=CCN1C(=O)C(=Cc2cc(C)n(-c3cc(Cl)ccc3C)c2C)C(=O)[N-]C1=S ZINC000013712150 569000525 /nfs/dbraw/zinc/00/05/25/569000525.db2.gz XECIHHGFGOXLOU-YVLHZVERSA-N -1 1 413.930 4.709 50 30 HJEAMM COc1ccc(S(=O)(=O)[N-]c2ccccc2NC=CC(=O)c2ccc(C)cc2)cc1 ZINC000006101755 569002593 /nfs/dbraw/zinc/00/25/93/569002593.db2.gz QBWKCLXXKGZDSE-FOCLMDBBSA-N -1 1 422.506 4.613 50 30 HJEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cccs1)c1ccc(Cl)cc1 ZINC000006445941 569053021 /nfs/dbraw/zinc/05/30/21/569053021.db2.gz RNDOXZSRVKASER-CQSZACIVSA-N -1 1 402.884 4.641 50 30 HJEAMM COc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 ZINC000006793726 569125368 /nfs/dbraw/zinc/12/53/68/569125368.db2.gz HTBFSIQTUQESBD-FQEVSTJZSA-N -1 1 412.898 4.805 50 30 HJEAMM C=C(C)COc1ccc(-c2nc(N)ncc2-c2ccc(Br)cc2)c([O-])c1 ZINC000013125488 569409644 /nfs/dbraw/zinc/40/96/44/569409644.db2.gz NIIVQVOLZMKRSC-UHFFFAOYSA-N -1 1 412.287 4.816 50 30 HJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000008771402 571117266 /nfs/dbraw/zinc/11/72/66/571117266.db2.gz DKKJLDFRMUFTCE-QGZVFWFLSA-N -1 1 410.882 4.888 50 30 HJEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000009110574 571222600 /nfs/dbraw/zinc/22/26/00/571222600.db2.gz UMTCOFNTSXWULO-HXUWFJFHSA-N -1 1 418.380 4.517 50 30 HJEAMM COc1ccc(C=NNc2nc3c(c(=O)[n-]2)C2(CCCCC2)Cc2ccccc2-3)cc1 ZINC000009172461 571234050 /nfs/dbraw/zinc/23/40/50/571234050.db2.gz KFOVPQKZZGBOCL-WGOQTCKBSA-N -1 1 414.509 4.650 50 30 HJEAMM COc1cccc(/C=C2\Oc3c(ccc([O-])c3CN(C)Cc3ccccc3)C2=O)c1 ZINC000020647802 525768816 /nfs/dbraw/zinc/76/88/16/525768816.db2.gz RYHBXSKRKPKABB-UCQKPKSFSA-N -1 1 401.462 4.649 50 30 HJEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000000633361 557028267 /nfs/dbraw/zinc/02/82/67/557028267.db2.gz IRCJZQBVDJIUMD-QGZVFWFLSA-N -1 1 423.494 4.520 50 30 HJEAMM CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccs2)cc1 ZINC000001155398 557213532 /nfs/dbraw/zinc/21/35/32/557213532.db2.gz WPTQICJPHQLQEJ-HXUWFJFHSA-N -1 1 420.490 4.713 50 30 HJEAMM O=C(Nc1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1)c1ccccc1[O-] ZINC000002998310 557439112 /nfs/dbraw/zinc/43/91/12/557439112.db2.gz KRZGAZYYIQGGBD-UHFFFAOYSA-N -1 1 411.273 4.943 50 30 HJEAMM O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000005409234 557651965 /nfs/dbraw/zinc/65/19/65/557651965.db2.gz UNPXSGUEQMTXGC-IBGZPJMESA-N -1 1 408.816 4.657 50 30 HJEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000005409234 557651967 /nfs/dbraw/zinc/65/19/67/557651967.db2.gz 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ZINC000013881949 569414075 /nfs/dbraw/zinc/41/40/75/569414075.db2.gz AVVSHOFVHLJQMT-QHCPKHFHSA-N -1 1 404.466 4.847 50 30 HJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(C)cc2)no1 ZINC000008996339 571208898 /nfs/dbraw/zinc/20/88/98/571208898.db2.gz YACPFLXDNPGORQ-OAQYLSRUSA-N -1 1 414.417 4.821 50 30 HJEAMM Cc1ccc(-c2nc(NC(=O)CCn3c(=S)[n-]nc3-c3cccc(C)c3)n[nH]2)cc1 ZINC000028855845 525787274 /nfs/dbraw/zinc/78/72/74/525787274.db2.gz PAODDCHEBPSYRF-UHFFFAOYSA-N -1 1 419.514 4.688 50 30 HJEAMM O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000004906555 557611963 /nfs/dbraw/zinc/61/19/63/557611963.db2.gz HAIXRMUXEBJWAM-LJQANCHMSA-N -1 1 408.816 4.657 50 30 HJEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000016993906 558811202 /nfs/dbraw/zinc/81/12/02/558811202.db2.gz QPHXEIWHWVFYBW-NRFANRHFSA-N -1 1 414.417 4.686 50 30 HJEAMM [O-]c1cc(Br)c(Br)cc1/C=N/c1ccc2nccnc2c1 ZINC000003153198 560748543 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/nfs/dbraw/zinc/30/83/23/569308323.db2.gz OOHDBADUZHBVGL-UHFFFAOYSA-N -1 1 411.395 4.816 50 30 HJEAMM O=[N+]([O-])c1cc(C=Nc2ccccc2Sc2ccccc2[N+](=O)[O-])c([O-])cc1O ZINC000252623307 569308324 /nfs/dbraw/zinc/30/83/24/569308324.db2.gz OOHDBADUZHBVGL-UHFFFAOYSA-N -1 1 411.395 4.816 50 30 HJEAMM O=C1C(=O)N(c2nccs2)[C@@H](c2ccccc2)C1=C([O-])c1cc2ccccc2o1 ZINC000008739963 571110256 /nfs/dbraw/zinc/11/02/56/571110256.db2.gz IHVLIVWYCNWQOM-SFHVURJKSA-N -1 1 402.431 4.672 50 30 HJEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccccc1 ZINC000008739963 571110259 /nfs/dbraw/zinc/11/02/59/571110259.db2.gz IHVLIVWYCNWQOM-SFHVURJKSA-N -1 1 402.431 4.672 50 30 HJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccs2)no1 ZINC000008996411 571208880 /nfs/dbraw/zinc/20/88/80/571208880.db2.gz GYMFLWNHLLUCCZ-IBGZPJMESA-N -1 1 424.478 4.615 50 30 HJEAMM COc1ccccc1[C@@H]1C(=C([O-])c2ccc(Cl)cc2)C(=O)C(=O)N1c1cccnc1 ZINC000000860877 557103967 /nfs/dbraw/zinc/10/39/67/557103967.db2.gz WEPXUCKATDXJDK-HXUWFJFHSA-N -1 1 420.852 4.527 50 30 HJEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1c1cccnc1 ZINC000000860877 557103969 /nfs/dbraw/zinc/10/39/69/557103969.db2.gz WEPXUCKATDXJDK-HXUWFJFHSA-N -1 1 420.852 4.527 50 30 HJEAMM Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)n1 ZINC000004312145 557539346 /nfs/dbraw/zinc/53/93/46/557539346.db2.gz QOVCYFHIWDOKRR-HXUWFJFHSA-N -1 1 404.853 4.826 50 30 HJEAMM O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000005409316 557651842 /nfs/dbraw/zinc/65/18/42/557651842.db2.gz APKUBVPVWGAPDQ-IBGZPJMESA-N -1 1 408.816 4.657 50 30 HJEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000005409316 557651845 /nfs/dbraw/zinc/65/18/45/557651845.db2.gz APKUBVPVWGAPDQ-IBGZPJMESA-N -1 1 408.816 4.657 50 30 HJEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000005578570 557663027 /nfs/dbraw/zinc/66/30/27/557663027.db2.gz NKFGRRFFNZQYCW-NRFANRHFSA-N -1 1 403.409 4.617 50 30 HJEAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC=CC(=O)c2ccc(F)cc2)cc1 ZINC000005584121 557663436 /nfs/dbraw/zinc/66/34/36/557663436.db2.gz CVDOSIJJMYFYGO-PFONDFGASA-N -1 1 410.470 4.743 50 30 HJEAMM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000008914289 557813885 /nfs/dbraw/zinc/81/38/85/557813885.db2.gz FRSUPPCMYIVBDN-IBGZPJMESA-N -1 1 406.438 4.656 50 30 HJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000008914289 557813887 /nfs/dbraw/zinc/81/38/87/557813887.db2.gz FRSUPPCMYIVBDN-IBGZPJMESA-N -1 1 406.438 4.656 50 30 HJEAMM CC(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nncs2)cc1 ZINC000008996666 557818042 /nfs/dbraw/zinc/81/80/42/557818042.db2.gz PWEGGULJXFNEIE-INIZCTEOSA-N -1 1 411.508 4.506 50 30 HJEAMM CSc1ccc([C@@H]2C(=C([O-])C3CC3)C(=O)C(=O)N2c2ccc(F)c(F)c2F)cc1 ZINC000058308602 558918678 /nfs/dbraw/zinc/91/86/78/558918678.db2.gz GEZLXIIWSKFSOD-GOSISDBHSA-N -1 1 419.424 4.705 50 30 HJEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000100136878 559163046 /nfs/dbraw/zinc/16/30/46/559163046.db2.gz XSHISFCRIYNALH-JBCNATCCSA-N -1 1 414.417 4.530 50 30 HJEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000102492011 560812314 /nfs/dbraw/zinc/81/23/14/560812314.db2.gz WFCCPQAWPQCWMX-WOOAAIBNSA-N -1 1 408.816 4.500 50 30 HJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)no1 ZINC000102806411 560827267 /nfs/dbraw/zinc/82/72/67/560827267.db2.gz ODZZNUSRHZDEKB-LFVOPCPISA-N -1 1 408.479 4.794 50 30 HJEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000102802192 560828790 /nfs/dbraw/zinc/82/87/90/560828790.db2.gz LTXLKWOFIYGOHO-WOOAAIBNSA-N -1 1 408.816 4.500 50 30 HJEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccco2)sc1C ZINC000102862819 560832281 /nfs/dbraw/zinc/83/22/81/560832281.db2.gz OJNBPISZWHMADB-UYTDBDHRSA-N -1 1 414.870 4.633 50 30 HJEAMM Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000102890675 560832921 /nfs/dbraw/zinc/83/29/21/560832921.db2.gz YGCUMHXDNMORMJ-WOOAAIBNSA-N -1 1 408.841 4.571 50 30 HJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000102890675 560832922 /nfs/dbraw/zinc/83/29/22/560832922.db2.gz YGCUMHXDNMORMJ-WOOAAIBNSA-N -1 1 408.841 4.571 50 30 HJEAMM Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000102931023 560835420 /nfs/dbraw/zinc/83/54/20/560835420.db2.gz GVFDWYLCZCJLEU-GHNGSUTGSA-N -1 1 410.882 4.731 50 30 HJEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)no1 ZINC000006160817 569015894 /nfs/dbraw/zinc/01/58/94/569015894.db2.gz FSCWRMDCZOYEJL-OAQYLSRUSA-N -1 1 402.450 4.889 50 30 HJEAMM C=C(C)COc1ccc(-c2nc(N)nc(C)c2Oc2ccccc2OCC)c([O-])c1 ZINC000002427118 569398735 /nfs/dbraw/zinc/39/87/35/569398735.db2.gz JRIPSDQOEUMDGW-UHFFFAOYSA-N -1 1 407.470 4.886 50 30 HJEAMM O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1ccc([O-])cc1 ZINC000012549275 569401722 /nfs/dbraw/zinc/40/17/22/569401722.db2.gz CBHPJBWKGKUYPH-XYOKQWHBSA-N -1 1 424.456 4.912 50 30 HJEAMM