smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([O-])c(C(=O)C=Cc2cn(-c3ccccc3C)nc2-c2ccccc2)c(=O)o1 ZINC000105328989 852699144 /nfs/dbraw/zinc/69/91/44/852699144.db2.gz CXWYBTCPRCXKBD-FRHQNKJESA-N -1 1 412.445 4.076 50 30 HIEAMM Cc1ccc(-c2nc(NC(=O)Cn3c(=S)[n-]nc3-c3cccc(C)c3)n[nH]2)cc1 ZINC000028856101 525787217 /nfs/dbraw/zinc/78/72/17/525787217.db2.gz XGFTXBHYVYLKBI-UHFFFAOYSA-N -1 1 405.487 4.298 50 30 HIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccccc2)cc1 ZINC000005354902 557646675 /nfs/dbraw/zinc/64/66/75/557646675.db2.gz MOSHTOKYUPKAHB-SFHVURJKSA-N -1 1 421.478 4.028 50 30 HIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccccc2)cc1 ZINC000005354902 557646677 /nfs/dbraw/zinc/64/66/77/557646677.db2.gz MOSHTOKYUPKAHB-SFHVURJKSA-N -1 1 421.478 4.028 50 30 HIEAMM CCN(CC)c1ccc([C@@H]2c3c(=O)[n-]c(=S)[nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000005564318 557662242 /nfs/dbraw/zinc/66/22/42/557662242.db2.gz ZVTBNFAIUKLEJX-KRWDZBQOSA-N -1 1 424.570 4.105 50 30 HIEAMM O=C1CCCC2=C1[C@H](c1ccncc1)c1c(=O)[n-]c(SCc3ccccc3)nc1N2 ZINC000005932380 557681430 /nfs/dbraw/zinc/68/14/30/557681430.db2.gz UJUAAOTZEIVVOF-SFHVURJKSA-N -1 1 416.506 4.022 50 30 HIEAMM CC[C@@H](C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005931334 557681443 /nfs/dbraw/zinc/68/14/43/557681443.db2.gz BXJNJJCREKDEQP-WBMJQRKESA-N -1 1 410.543 4.256 50 30 HIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)s1 ZINC000006460045 557703567 /nfs/dbraw/zinc/70/35/67/557703567.db2.gz DLBXTRPLFPABMA-INIZCTEOSA-N -1 1 423.475 4.437 50 30 HIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2F)s1 ZINC000005800694 557796438 /nfs/dbraw/zinc/79/64/38/557796438.db2.gz JEQUSEKGDKYUOT-QGZVFWFLSA-N -1 1 409.442 4.077 50 30 HIEAMM O=[N+]([O-])c1ccc([O-])c(/N=C/c2cc(Br)cc(Br)c2O)c1 ZINC000008767396 557806356 /nfs/dbraw/zinc/80/63/56/557806356.db2.gz KACSQPKPAOKDBT-OMCISZLKSA-N -1 1 416.025 4.282 50 30 HIEAMM Cc1ccc(C=NNc2nnc(SCC(=O)Nc3cccc4ccccc43)[n-]2)o1 ZINC000020407299 558360455 /nfs/dbraw/zinc/36/04/55/558360455.db2.gz MZFITTKYGYQYGH-SRZZPIQSSA-N -1 1 406.471 4.036 50 30 HIEAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/c2nc3ccccc3n2C)cc1 ZINC000018118592 560776777 /nfs/dbraw/zinc/77/67/77/560776777.db2.gz BKSJDIKBPLJBRB-HZHRSRAPSA-N -1 1 404.495 4.433 50 30 HIEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102804399 560826933 /nfs/dbraw/zinc/82/69/33/560826933.db2.gz DGCUMNFNVJEZKO-WOOAAIBNSA-N -1 1 424.840 4.271 50 30 HIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)cc1 ZINC000102804414 560826948 /nfs/dbraw/zinc/82/69/48/560826948.db2.gz UYFBXDYROPCMOD-YDJIHCHBSA-N -1 1 404.422 4.008 50 30 HIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(F)cc2)no1 ZINC000102804810 560826960 /nfs/dbraw/zinc/82/69/60/560826960.db2.gz OBZCHXSCNGSONE-YDJIHCHBSA-N -1 1 418.380 4.495 50 30 HIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)cc1 ZINC000102804410 560826980 /nfs/dbraw/zinc/82/69/80/560826980.db2.gz UYFBXDYROPCMOD-NHFXJNLRSA-N -1 1 404.422 4.008 50 30 HIEAMM CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1 ZINC000102886180 560834117 /nfs/dbraw/zinc/83/41/17/560834117.db2.gz PORKRXRUIDERGA-NHFXJNLRSA-N -1 1 422.412 4.147 50 30 HIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1 ZINC000102886180 560834118 /nfs/dbraw/zinc/83/41/18/560834118.db2.gz PORKRXRUIDERGA-NHFXJNLRSA-N -1 1 422.412 4.147 50 30 HIEAMM O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000102929092 560834665 /nfs/dbraw/zinc/83/46/65/560834665.db2.gz JRVIPCBISUAEOY-YDJIHCHBSA-N -1 1 400.390 4.221 50 30 HIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nncs3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000104196561 560849634 /nfs/dbraw/zinc/84/96/34/560849634.db2.gz XRFSUHSKVOYZOG-UYTDBDHRSA-N -1 1 411.870 4.126 50 30 HIEAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OC)cc1)C1=C(CCCC1=O)N2 ZINC000005868788 568827194 /nfs/dbraw/zinc/82/71/94/568827194.db2.gz YDRBQBPIKWTWOR-QGZVFWFLSA-N -1 1 411.527 4.235 50 30 HIEAMM CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 ZINC000005923771 568829751 /nfs/dbraw/zinc/82/97/51/568829751.db2.gz QHUPJFKVRBAYIF-OAHLLOKOSA-N -1 1 401.919 4.490 50 30 HIEAMM Cc1nc2ccccc2c(=O)n1/N=C/c1cc(Br)c2ccccc2c1[O-] ZINC000001306207 568913546 /nfs/dbraw/zinc/91/35/46/568913546.db2.gz NYQBPXRKTGJIGB-SSDVNMTOSA-N -1 1 408.255 4.208 50 30 HIEAMM O=C1c2ccc3c(c2O/C1=C\c1cccnc1)[C@H](c1ccc([O-])c(Cl)c1)CC(=O)O3 ZINC000218065646 568925099 /nfs/dbraw/zinc/92/50/99/568925099.db2.gz WQGWGCKNLMFNTH-CPIUSTHESA-N -1 1 419.820 4.498 50 30 HIEAMM O=C(C1=C([O-])C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000004312743 568961298 /nfs/dbraw/zinc/96/12/98/568961298.db2.gz OUUPSQVMZIDSRY-HXUWFJFHSA-N -1 1 400.390 4.378 50 30 HIEAMM C=CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@@H]1c1cccs1 ZINC000007991015 568976103 /nfs/dbraw/zinc/97/61/03/568976103.db2.gz ILLXCCMSWXWLFJ-OAHLLOKOSA-N -1 1 417.556 4.140 50 30 HIEAMM C=CCN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)[N-]C1=S ZINC000012343691 568994582 /nfs/dbraw/zinc/99/45/82/568994582.db2.gz CHGSIKFIUIMKIM-ATVHPVEESA-N -1 1 414.939 4.304 50 30 HIEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000006265786 569036087 /nfs/dbraw/zinc/03/60/87/569036087.db2.gz RDKQEVFOKHOGDK-OAQYLSRUSA-N -1 1 418.449 4.337 50 30 HIEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1c1cc(C)on1 ZINC000009462429 569039120 /nfs/dbraw/zinc/03/91/20/569039120.db2.gz XCJDRUCUKNLLSV-LJQANCHMSA-N -1 1 424.840 4.428 50 30 HIEAMM O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000006813931 569137258 /nfs/dbraw/zinc/13/72/58/569137258.db2.gz SXTHGNOVKHOEQK-HXUWFJFHSA-N -1 1 400.390 4.378 50 30 HIEAMM CCOC(=O)c1c2c(sc1NC(C)=O)C(=N[O-])[C@@H](Sc1ccccc1)CC2 ZINC000252611902 569300418 /nfs/dbraw/zinc/30/04/18/569300418.db2.gz IOEXOESFPUIGLA-AWEZNQCLSA-N -1 1 404.513 4.169 50 30 HIEAMM C=CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000008895210 571143370 /nfs/dbraw/zinc/14/33/70/571143370.db2.gz XILJYHKRFZNECB-IBGZPJMESA-N -1 1 422.462 4.392 50 30 HIEAMM Cc1nn(C)c(C)c1N1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000009545206 571267515 /nfs/dbraw/zinc/26/75/15/571267515.db2.gz MMKUHUBOZGBXGH-FQEVSTJZSA-N -1 1 421.884 4.473 50 30 HIEAMM CCOc1ccc(-c2n[n-]c(=S)n2NN=Cc2cccc(Br)c2)cc1 ZINC000009332970 520812604 /nfs/dbraw/zinc/81/26/04/520812604.db2.gz CUSFNOJKMHXJHP-YBFXNURJSA-N -1 1 418.320 4.346 50 30 HIEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000001155464 557213726 /nfs/dbraw/zinc/21/37/26/557213726.db2.gz NKGGHGSTFRZLCN-HNNXBMFYSA-N -1 1 416.220 4.159 50 30 HIEAMM O=C(C1=C([O-])C(=O)N(c2nncs2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000008899633 557813456 /nfs/dbraw/zinc/81/34/56/557813456.db2.gz CAMYRXMRKQMFAE-OAHLLOKOSA-N -1 1 415.833 4.114 50 30 HIEAMM O=C(c1cccs1)C1=C([O-])C(=O)N(c2nncs2)[C@H]1c1ccc(Cl)cc1 ZINC000009244100 557832326 /nfs/dbraw/zinc/83/23/26/557832326.db2.gz MDZBVUODBPQUFT-ZDUSSCGKSA-N -1 1 403.872 4.036 50 30 HIEAMM CCCc1cc(=O)[n-]c(NN=Cc2ccc(OCc3ccccc3C)c(OC)c2)n1 ZINC000004422810 558534012 /nfs/dbraw/zinc/53/40/12/558534012.db2.gz HGGFNZXYTSUXAO-ZVHZXABRSA-N -1 1 406.486 4.064 50 30 HIEAMM O=C(C=CNc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000100430572 559199747 /nfs/dbraw/zinc/19/97/47/559199747.db2.gz UJTQTIBMTJKERB-SEYXRHQNSA-N -1 1 422.462 4.025 50 30 HIEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000101313987 560791519 /nfs/dbraw/zinc/79/15/19/560791519.db2.gz ZFEQTFKSWTUIGO-JBCNATCCSA-N -1 1 416.433 4.174 50 30 HIEAMM C=CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000101314073 560791544 /nfs/dbraw/zinc/79/15/44/560791544.db2.gz QSGJJKRQODVVRY-WOOAAIBNSA-N -1 1 422.462 4.236 50 30 HIEAMM CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 ZINC000102369060 560809887 /nfs/dbraw/zinc/80/98/87/560809887.db2.gz OABYCPRRADKUEJ-MOBKVPTQSA-N -1 1 414.461 4.495 50 30 HIEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1c1cc(C)on1 ZINC000102702228 560820333 /nfs/dbraw/zinc/82/03/33/560820333.db2.gz MURBHCDFLGBRKF-LFVOPCPISA-N -1 1 424.840 4.271 50 30 HIEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000102726498 560821851 /nfs/dbraw/zinc/82/18/51/560821851.db2.gz BMXAZPNOKNGTHO-MRJHHRETSA-N -1 1 418.449 4.398 50 30 HIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)no1 ZINC000102803613 560826637 /nfs/dbraw/zinc/82/66/37/560826637.db2.gz QRUYNOVNMZSYRZ-GHNGSUTGSA-N -1 1 406.419 4.417 50 30 HIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccc2F)no1 ZINC000102799323 560828165 /nfs/dbraw/zinc/82/81/65/560828165.db2.gz OTXVYHTVVXLLTK-YDJIHCHBSA-N -1 1 418.380 4.495 50 30 HIEAMM O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])c1ccccc1 ZINC000104076947 560848008 /nfs/dbraw/zinc/84/80/08/560848008.db2.gz SBEFTTPXCQKISB-YDJIHCHBSA-N -1 1 418.380 4.360 50 30 HIEAMM O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000104076947 560848010 /nfs/dbraw/zinc/84/80/10/560848010.db2.gz SBEFTTPXCQKISB-YDJIHCHBSA-N -1 1 418.380 4.360 50 30 HIEAMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2CCc2nc3ccccc3[nH]2)cc1 ZINC000021357205 568688231 /nfs/dbraw/zinc/68/82/31/568688231.db2.gz OGUDJOUDYXTVBE-UHFFFAOYSA-N -1 1 402.479 4.021 50 30 HIEAMM C=CCOC(=O)c1cc(-c2ccc(C=C3SC(=S)[N-]C3=O)o2)ccc1Cl ZINC000004181223 568949440 /nfs/dbraw/zinc/94/94/40/568949440.db2.gz XKOWSQXADKFMIL-DHDCSXOGSA-N -1 1 405.884 4.432 50 30 HIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2ccccc2)cc1 ZINC000006784000 569120592 /nfs/dbraw/zinc/12/05/92/569120592.db2.gz MHGUBNIZXBMTRT-SFHVURJKSA-N -1 1 406.463 4.325 50 30 HIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2ccccc2)cc1 ZINC000006784000 569120593 /nfs/dbraw/zinc/12/05/93/569120593.db2.gz MHGUBNIZXBMTRT-SFHVURJKSA-N -1 1 406.463 4.325 50 30 HIEAMM COc1cccc(C=Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1O ZINC000252462532 569286999 /nfs/dbraw/zinc/28/69/99/569286999.db2.gz TYDJMJUODVUUFZ-UHFFFAOYSA-N -1 1 400.431 4.091 50 30 HIEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000008895208 571143457 /nfs/dbraw/zinc/14/34/57/571143457.db2.gz XILJYHKRFZNECB-LJQANCHMSA-N -1 1 422.462 4.392 50 30 HIEAMM C=CCOC(=O)C1=C(C)Nc2nc(SCCC)[n-]c(=O)c2[C@@H]1c1ccccc1C ZINC000009569620 571268711 /nfs/dbraw/zinc/26/87/11/571268711.db2.gz FRBCNPAFYBSZMW-QGZVFWFLSA-N -1 1 411.527 4.141 50 30 HIEAMM CC(N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])c1ccccc1 ZINC000254849289 854216166 /nfs/dbraw/zinc/21/61/66/854216166.db2.gz OKOKHCHLCNISMZ-UHFFFAOYSA-N -1 1 410.455 4.232 50 30 HIEAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)/C=C\c3ccc4c(c3)OCO4)cc2)cc1 ZINC000034719517 525597365 /nfs/dbraw/zinc/59/73/65/525597365.db2.gz YEFTYTCQLDPGNT-QCDXTXTGSA-N -1 1 421.474 4.421 50 30 HIEAMM O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000005596041 557664348 /nfs/dbraw/zinc/66/43/48/557664348.db2.gz YPCGKWCFZOJWOM-KRWDZBQOSA-N -1 1 409.804 4.052 50 30 HIEAMM COc1ccc([N-]S(=O)(=O)c2ccc(N=NC3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000004865437 559193827 /nfs/dbraw/zinc/19/38/27/559193827.db2.gz PEZYOGDKZWROQL-UHFFFAOYSA-N -1 1 418.475 4.136 50 30 HIEAMM O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000100439851 559200886 /nfs/dbraw/zinc/20/08/86/559200886.db2.gz DZXYUBRZKZNJAO-YDJIHCHBSA-N -1 1 400.390 4.221 50 30 HIEAMM COc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2F)c1 ZINC000017251664 560705125 /nfs/dbraw/zinc/70/51/25/560705125.db2.gz JDLOKLRSGOCTMR-FQEVSTJZSA-N -1 1 404.397 4.012 50 30 HIEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccccc2F)c1 ZINC000017251664 560705126 /nfs/dbraw/zinc/70/51/26/560705126.db2.gz JDLOKLRSGOCTMR-FQEVSTJZSA-N -1 1 404.397 4.012 50 30 HIEAMM COc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cccc(C)n2)cc1 ZINC000102859072 560831332 /nfs/dbraw/zinc/83/13/32/560831332.db2.gz WUNRLHRFXVRCJF-WOOAAIBNSA-N -1 1 406.463 4.086 50 30 HIEAMM CC[C@H](C)Sc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C#N)cc1)C1=C(CCCC1=O)N2 ZINC000000937264 568751861 /nfs/dbraw/zinc/75/18/61/568751861.db2.gz GKKBPCHACKETSW-YVEFUNNKSA-N -1 1 406.511 4.097 50 30 HIEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C)cc2)c1 ZINC000005883684 568828029 /nfs/dbraw/zinc/82/80/29/568828029.db2.gz MAAGFYBKIVHAHJ-HXUWFJFHSA-N -1 1 404.422 4.083 50 30 HIEAMM CC[C@H](C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2 ZINC000005931434 568830185 /nfs/dbraw/zinc/83/01/85/568830185.db2.gz CSQCQABMFKLXLP-UGSOOPFHSA-N -1 1 424.570 4.291 50 30 HIEAMM C=CCn1c([O-])c(C(=O)Nc2ccc(C)cc2Br)c(=O)c2ccccc21 ZINC000001253816 568908775 /nfs/dbraw/zinc/90/87/75/568908775.db2.gz 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HIEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000008827568 571122555 /nfs/dbraw/zinc/12/25/55/571122555.db2.gz UDCQHKSPVXWESK-HXUWFJFHSA-N -1 1 422.437 4.456 50 30 HIEAMM COc1ccc(/C=C/C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1O ZINC000008686748 845547001 /nfs/dbraw/zinc/54/70/01/845547001.db2.gz JMYORYBWIOHASB-WLRTZDKTSA-N -1 1 423.490 4.406 50 30 aggregator HIEAMM C=CCn1c2ccc([N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2sc1=O ZINC000046017764 519263104 /nfs/dbraw/zinc/26/31/04/519263104.db2.gz ZIURPUDFVLNLRW-UHFFFAOYSA-N -1 1 402.541 4.283 50 30 HIEAMM CCOc1ccc([C@@H]2C3=C(Nc4nc(SC)[n-]c(=O)c42)c2ccccc2C3=O)cc1 ZINC000040382582 521241876 /nfs/dbraw/zinc/24/18/76/521241876.db2.gz QORNNIWXSIOOKR-MRXNPFEDSA-N -1 1 417.490 4.468 50 30 HIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccccc2)cc1 ZINC000000630816 557026073 /nfs/dbraw/zinc/02/60/73/557026073.db2.gz MOSHTOKYUPKAHB-GOSISDBHSA-N -1 1 421.478 4.028 50 30 HIEAMM 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C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000008827560 571122489 /nfs/dbraw/zinc/12/24/89/571122489.db2.gz YOIUGFHYRTXMDK-HXUWFJFHSA-N -1 1 420.421 4.232 50 30 HIEAMM Cc1nc(SCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[n-]2)c(C#N)c(C)c1Cl ZINC000008857072 571128251 /nfs/dbraw/zinc/12/82/51/571128251.db2.gz HPUNHTPUTADZRO-UHFFFAOYSA-N -1 1 418.822 4.209 50 30 HIEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)sc1C ZINC000008922549 571158883 /nfs/dbraw/zinc/15/88/83/571158883.db2.gz ZRULOLVUMIRUAB-SFHVURJKSA-N -1 1 424.453 4.388 50 30 HIEAMM C=CCN1c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2OCC(C)(C)C1=O ZINC000009166897 571232991 /nfs/dbraw/zinc/23/29/91/571232991.db2.gz REVOZFXCNCCIML-UHFFFAOYSA-N -1 1 420.918 4.078 50 30 HIEAMM O=C(C1=C([O-])C(=O)N(c2ccc(O)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000009331424 571248718 /nfs/dbraw/zinc/24/87/18/571248718.db2.gz FFSZPNLDPXEIIJ-FQEVSTJZSA-N -1 1 416.389 4.083 50 30 HIEAMM C=CCc1ccc(OCCOc2ccccc2C=C2SC(=O)[N-]C2=O)c(OC)c1 ZINC000015800588 519139482 /nfs/dbraw/zinc/13/94/82/519139482.db2.gz FSDFMAAANSLIOK-ZHZULCJRSA-N -1 1 411.479 4.205 50 30 HIEAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CN=Nc2nncc3ccccc32)cc1 ZINC000030955042 525615404 /nfs/dbraw/zinc/61/54/04/525615404.db2.gz JQAXDCPWCMYSSO-BUVRLJJBSA-N -1 1 417.494 4.185 50 30 HIEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccnc3)sc2c1 ZINC000027987621 526251754 /nfs/dbraw/zinc/25/17/54/526251754.db2.gz PVUPTRRRALAORK-SFHVURJKSA-N -1 1 417.446 4.376 50 30 HIEAMM Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCCCC(=O)[O-])[C@@H]2c2ccccc2)cc1 ZINC000004310787 557538996 /nfs/dbraw/zinc/53/89/96/557538996.db2.gz CPQGOYQMEKACEG-OAQYLSRUSA-N -1 1 407.466 4.218 50 30 HIEAMM Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCCCC(=O)[O-])[C@H]2c2ccccc2)cc1 ZINC000004310786 557539058 /nfs/dbraw/zinc/53/90/58/557539058.db2.gz CPQGOYQMEKACEG-NRFANRHFSA-N -1 1 407.466 4.218 50 30 HIEAMM O=C1C(=O)N(c2cccnc2)[C@@H](c2ccc(O)cc2)C1=C([O-])c1ccc(Cl)cc1 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CC[C@H](C)Sc1nc2c(c(=O)[n-]1)[C@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2 ZINC000005931415 568829962 /nfs/dbraw/zinc/82/99/62/568829962.db2.gz CSQCQABMFKLXLP-SCLBCKFNSA-N -1 1 424.570 4.291 50 30 HIEAMM C=C(C)COc1ccc([C@H](CC(=O)OC)C2=C([O-])C(=O)c3ccccc3C2=O)cc1 ZINC000217933174 568920267 /nfs/dbraw/zinc/92/02/67/568920267.db2.gz HEFSHJXTMXQXQF-IBGZPJMESA-N -1 1 406.434 4.180 50 30 HIEAMM O=C1CCCC2=C1[C@H](c1ccc(Br)cc1)c1c(=O)[n-]c(=S)[nH]c1N2 ZINC000004004814 568933034 /nfs/dbraw/zinc/93/30/34/568933034.db2.gz IXBSJVSSJHWAES-LBPRGKRZSA-N -1 1 404.289 4.172 50 30 aggregator HIEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000006412944 569046937 /nfs/dbraw/zinc/04/69/37/569046937.db2.gz BAYWHAMXOQLZIJ-NRFANRHFSA-N -1 1 416.433 4.331 50 30 HIEAMM Cc1ccc(-c2noc(-c3cccc(S(=O)(=O)[N-]c4ccc(C#N)cc4)c3)n2)cc1 ZINC000064747795 569089066 /nfs/dbraw/zinc/08/90/66/569089066.db2.gz JGZBHGCLYIXQIJ-UHFFFAOYSA-N -1 1 416.462 4.385 50 30 HIEAMM 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O=C1CCCC2=C1[C@@H](c1cccnc1)c1c(=O)[n-]c(SCc3ccccc3)nc1N2 ZINC000000959815 557127377 /nfs/dbraw/zinc/12/73/77/557127377.db2.gz PMEBXXIBRKANAY-GOSISDBHSA-N -1 1 416.506 4.022 50 30 HIEAMM CCN(CC)c1ccc([C@H]2c3c(=O)[n-]c(=S)[nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000005564322 557662259 /nfs/dbraw/zinc/66/22/59/557662259.db2.gz ZVTBNFAIUKLEJX-QGZVFWFLSA-N -1 1 424.570 4.105 50 30 HIEAMM CSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005864440 557677912 /nfs/dbraw/zinc/67/79/12/557677912.db2.gz ZMYPFBCXMULJNO-CQSZACIVSA-N -1 1 401.919 4.346 50 30 HIEAMM O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000009013791 557819430 /nfs/dbraw/zinc/81/94/30/557819430.db2.gz RVXOMPOZQSKCQA-FQEVSTJZSA-N -1 1 400.390 4.378 50 30 HIEAMM N#C/C(=N\[N-]c1ccccc1[N+](=O)[O-])c1nc(-c2cc3ccccc3oc2=O)cs1 ZINC000013763746 558590975 /nfs/dbraw/zinc/59/09/75/558590975.db2.gz KCCYVUFVGWSCBJ-BUVRLJJBSA-N -1 1 417.406 4.164 50 30 HIEAMM 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422.485 4.123 50 30 HIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)cc1 ZINC000101287981 560790729 /nfs/dbraw/zinc/79/07/29/560790729.db2.gz VCGZSVOICKMWHP-MRJHHRETSA-N -1 1 416.433 4.174 50 30 HIEAMM C=CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000101294503 560791095 /nfs/dbraw/zinc/79/10/95/560791095.db2.gz CSHIGTSVHBUETE-WOOAAIBNSA-N -1 1 422.462 4.236 50 30 HIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)no1 ZINC000102702355 560820346 /nfs/dbraw/zinc/82/03/46/560820346.db2.gz ZJLBPLBXQIQIKF-SELCWUDQSA-N -1 1 412.804 4.402 50 30 HIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000102703556 560820527 /nfs/dbraw/zinc/82/05/27/560820527.db2.gz MRAQSJXHTNDFBU-JBCNATCCSA-N -1 1 418.449 4.316 50 30 HIEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000102804081 560826796 /nfs/dbraw/zinc/82/67/96/560826796.db2.gz SVUHAWIMHZKKPA-LFVOPCPISA-N -1 1 424.840 4.271 50 30 HIEAMM 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CCOC(=O)C1=C(Nc2cccc(OC)c2)SC(=Cc2cccc(F)c2[O-])C1=O ZINC000036258377 520537058 /nfs/dbraw/zinc/53/70/58/520537058.db2.gz BEWBCMNKGBVFQT-MHWRWJLKSA-N -1 1 415.442 4.084 50 30 HIEAMM C=CCn1c(Cc2csc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3F)n2)n[n-]c1=S ZINC000069928865 558622089 /nfs/dbraw/zinc/62/20/89/558622089.db2.gz BTJCKODXXYNEDZ-ZIAGYGMSSA-N -1 1 415.519 4.055 50 30 HIEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000016741459 558803612 /nfs/dbraw/zinc/80/36/12/558803612.db2.gz WHUIRCFYBODYAC-IBGZPJMESA-N -1 1 408.410 4.148 50 30 HIEAMM O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000100439845 559200846 /nfs/dbraw/zinc/20/08/46/559200846.db2.gz DZXYUBRZKZNJAO-NHFXJNLRSA-N -1 1 400.390 4.221 50 30 HIEAMM CCOC(=O)c1c2c(sc1NC(C)=O)/C(=N/[O-])[C@@H](Sc1ccccc1)CC2 ZINC000017903306 560730069 /nfs/dbraw/zinc/73/00/69/560730069.db2.gz IOEXOESFPUIGLA-IKBYJFNHSA-N -1 1 404.513 4.169 50 30 HIEAMM 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CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2ccccc2)cc1 ZINC000102926742 560834474 /nfs/dbraw/zinc/83/44/74/560834474.db2.gz XUZZUBPTMXZNPS-SELCWUDQSA-N -1 1 406.463 4.168 50 30 HIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccccc2)cc1 ZINC000102934625 560835700 /nfs/dbraw/zinc/83/57/00/560835700.db2.gz SGSLKOUXOJGDOZ-HOGKFDNTSA-N -1 1 414.461 4.497 50 30 HIEAMM CC[C@@H](C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OC)cc1)C1=C(CCCC1=O)N2 ZINC000006003482 568834899 /nfs/dbraw/zinc/83/48/99/568834899.db2.gz SEXPIJVLDMLQSS-PXAZEXFGSA-N -1 1 411.527 4.234 50 30 HIEAMM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2cccc(O)c2)sc1C ZINC000004312248 568961108 /nfs/dbraw/zinc/96/11/08/568961108.db2.gz KZYIBXVQDRBFRB-MRXNPFEDSA-N -1 1 412.492 4.310 50 30 HIEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2cccc(O)c2)sc1C ZINC000004312248 568961109 /nfs/dbraw/zinc/96/11/09/568961109.db2.gz KZYIBXVQDRBFRB-MRXNPFEDSA-N -1 1 412.492 4.310 50 30 HIEAMM C=CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc4ccccc43)c2C)C(=O)[N-]C1=S ZINC000012362893 568994705 /nfs/dbraw/zinc/99/47/05/568994705.db2.gz QHPVSNCJYFPHAD-ZHZULCJRSA-N -1 1 415.518 4.060 50 30 HIEAMM CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000006265791 569036108 /nfs/dbraw/zinc/03/61/08/569036108.db2.gz RDKQEVFOKHOGDK-NRFANRHFSA-N -1 1 418.449 4.337 50 30 HIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)s1 ZINC000005883963 569072099 /nfs/dbraw/zinc/07/20/99/569072099.db2.gz PZFDABDHQPPAJB-SFHVURJKSA-N -1 1 405.479 4.246 50 30 HIEAMM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncccn3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000017113000 569274923 /nfs/dbraw/zinc/27/49/23/569274923.db2.gz PVWXDVYDYAKGIA-SFHVURJKSA-N -1 1 405.841 4.221 50 30 HIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000017113000 569274925 /nfs/dbraw/zinc/27/49/25/569274925.db2.gz PVWXDVYDYAKGIA-SFHVURJKSA-N -1 1 405.841 4.221 50 30 HIEAMM CCOC(=O)c1c2c(sc1NC(C)=O)C(=N[O-])[C@H](Sc1ccccc1)CC2 ZINC000252611903 569300436 /nfs/dbraw/zinc/30/04/36/569300436.db2.gz IOEXOESFPUIGLA-CQSZACIVSA-N -1 1 404.513 4.169 50 30 HIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccccc2)s1 ZINC000009187339 571235206 /nfs/dbraw/zinc/23/52/06/571235206.db2.gz WHPLRZOLEVFCFE-CYBMUJFWSA-N -1 1 415.521 4.104 50 30 HIEAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)/C=C/c3ccc(O)cc3)cc2)cc1 ZINC000007505596 845348772 /nfs/dbraw/zinc/34/87/72/845348772.db2.gz ZGGAFISKWZHYLO-SYZQJQIISA-N -1 1 409.463 4.098 50 30 HIEAMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3cccc(Br)c3)s2)c(=O)o1 ZINC000102500422 852664950 /nfs/dbraw/zinc/66/49/50/852664950.db2.gz DIVNLISLGNQJOO-FZMUQLTDSA-N -1 1 417.280 4.406 50 30 HIEAMM CC(C)c1ccc(C=Nn2c(-c3ccc([O-])c(C(N)=O)c3)csc2=NC2CC2)cc1 ZINC000254513333 854211771 /nfs/dbraw/zinc/21/17/71/854211771.db2.gz AJCBUPHAEPPBGH-UHFFFAOYSA-N -1 1 420.538 4.090 50 30 HIEAMM O=S(=O)([N-]c1ccc(N=Cc2ccccc2O)cc1)c1ccc2c(c1)OCCCO2 ZINC000254874607 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C=CCOC(=O)C1=C(C)Nc2nc(SCCCC)[n-]c(=O)c2[C@H]1c1cccs1 ZINC000007991012 568976277 /nfs/dbraw/zinc/97/62/77/568976277.db2.gz WRZFIGASLPIXLQ-HNNXBMFYSA-N -1 1 417.556 4.284 50 30 HIEAMM COc1cc(C=Nn2cn[n-]c2=S)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000001918430 569059379 /nfs/dbraw/zinc/05/93/79/569059379.db2.gz HPSFBRUZTVNNIA-ODCIPOBUSA-N -1 1 423.281 4.357 50 30 HIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)cc1 ZINC000017058549 569272804 /nfs/dbraw/zinc/27/28/04/569272804.db2.gz VRUXOWSFAQWOLL-HXUWFJFHSA-N -1 1 404.422 4.165 50 30 HIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)cc1 ZINC000017058549 569272805 /nfs/dbraw/zinc/27/28/05/569272805.db2.gz VRUXOWSFAQWOLL-HXUWFJFHSA-N -1 1 404.422 4.165 50 30 HIEAMM O=C([O-])c1ccccc1NN=Cc1cc(Br)cc(Br)c1O ZINC000252477583 569288510 /nfs/dbraw/zinc/28/85/10/569288510.db2.gz QYJZVCMXNOJUAE-UHFFFAOYSA-N -1 1 414.053 4.061 50 30 HIEAMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(C#N)c3)cc2)ccc1F ZINC000007779060 569309052 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COc1cccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)c1 ZINC000102532536 560813517 /nfs/dbraw/zinc/81/35/17/560813517.db2.gz FKHQIKMPFHAGFS-WOOAAIBNSA-N -1 1 420.490 4.395 50 30 HIEAMM Cc1nn(C)cc1C=Nn1cc([O-])c(-c2nc(-c3ccc(Cl)cc3)cs2)c1N ZINC000102734890 560822682 /nfs/dbraw/zinc/82/26/82/560822682.db2.gz KVXQXBGSDZYDGA-ZPYHNVIJSA-N -1 1 412.906 4.101 50 30 HIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)cc1C ZINC000102805397 560827127 /nfs/dbraw/zinc/82/71/27/560827127.db2.gz VTTJVFBBZNGIMP-NHFXJNLRSA-N -1 1 422.412 4.065 50 30 HIEAMM CC[C@@H](C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C#N)cc1)C1=C(CCCC1=O)N2 ZINC000000937265 568751935 /nfs/dbraw/zinc/75/19/35/568751935.db2.gz GKKBPCHACKETSW-PXAZEXFGSA-N -1 1 406.511 4.097 50 30 HIEAMM CC[C@@H](C)Sc1nc2c(c(=O)[n-]1)[C@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005931320 568829989 /nfs/dbraw/zinc/82/99/89/568829989.db2.gz ITVFMEDENRGAKJ-MLGOLLRUSA-N -1 1 410.543 4.256 50 30 HIEAMM 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O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000013078977 569408844 /nfs/dbraw/zinc/40/88/44/569408844.db2.gz BJHZYQDAMKNXOT-UHFFFAOYSA-N -1 1 424.478 4.141 50 30 HIEAMM O=C([O-])c1cccc(NN=Cc2cc(Br)cc(Br)c2O)c1 ZINC000008690899 571101944 /nfs/dbraw/zinc/10/19/44/571101944.db2.gz KXEFYLLVDPYZBT-REZTVBANSA-N -1 1 414.053 4.061 50 30 HIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008739720 571110293 /nfs/dbraw/zinc/11/02/93/571110293.db2.gz MEBWJBZRJYEVPS-IBGZPJMESA-N -1 1 424.840 4.428 50 30 HIEAMM CCc1ccc(-c2n[nH]cc2C=N[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000032575552 523860057 /nfs/dbraw/zinc/86/00/57/523860057.db2.gz WYSCRHKBLDDWKG-JJFYIABZSA-N -1 1 423.325 4.258 50 30 HIEAMM CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1OC)C1=C(CC(C)(C)CC1=O)N2 ZINC000005980673 557683484 /nfs/dbraw/zinc/68/34/84/557683484.db2.gz IQUUMFQBBYTOPS-MRXNPFEDSA-N -1 1 411.527 4.091 50 30 HIEAMM CCOc1ccc([C@@H]2c3c(=O)[n-]c(SC)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000005997517 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HIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(F)cc2)no1 ZINC000102804812 560826925 /nfs/dbraw/zinc/82/69/25/560826925.db2.gz OBZCHXSCNGSONE-NHFXJNLRSA-N -1 1 418.380 4.495 50 30 HIEAMM COc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)c1 ZINC000102862864 560832309 /nfs/dbraw/zinc/83/23/09/560832309.db2.gz QYFPSMJSAYCXJE-MRJHHRETSA-N -1 1 403.409 4.461 50 30 HIEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000102878932 560833491 /nfs/dbraw/zinc/83/34/91/560833491.db2.gz YPSKDGKJARINJQ-WOOAAIBNSA-N -1 1 420.490 4.395 50 30 HIEAMM Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCCCC(=O)[O-])[C@H]2c2ccccc2)cc1 ZINC000102881224 560833776 /nfs/dbraw/zinc/83/37/76/560833776.db2.gz GQZJVBZOZHFKDA-MRJHHRETSA-N -1 1 407.466 4.062 50 30 HIEAMM C=CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@H]1c1ccccc1 ZINC000044973784 560898334 /nfs/dbraw/zinc/89/83/34/560898334.db2.gz OXJJYEVQGNIQBV-KRWDZBQOSA-N -1 1 411.527 4.079 50 30 HIEAMM C=CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@@H]1c1ccccc1 ZINC000044973789 560898350 /nfs/dbraw/zinc/89/83/50/560898350.db2.gz OXJJYEVQGNIQBV-QGZVFWFLSA-N -1 1 411.527 4.079 50 30 HIEAMM O=c1cn[n-]c(=S)n1N=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000000936716 568751537 /nfs/dbraw/zinc/75/15/37/568751537.db2.gz QGDMTMRGHNYFGQ-ODCIPOBUSA-N -1 1 407.282 4.069 50 30 HIEAMM CC[C@H](C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C#N)cc1)C1=C(CCCC1=O)N2 ZINC000000937266 568751980 /nfs/dbraw/zinc/75/19/80/568751980.db2.gz GKKBPCHACKETSW-SJCJKPOMSA-N -1 1 406.511 4.097 50 30 HIEAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2 ZINC000005868784 568827171 /nfs/dbraw/zinc/82/71/71/568827171.db2.gz MDDAMTRHTRHBGS-GOSISDBHSA-N -1 1 424.570 4.293 50 30 HIEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nccs2)c1 ZINC000004103408 568942946 /nfs/dbraw/zinc/94/29/46/568942946.db2.gz KGISDRAVHYRWIC-KRWDZBQOSA-N -1 1 410.451 4.226 50 30 HIEAMM C=CCn1c(Cc2csc(NC(=O)c3ccc(Cl)cc3F)n2)n[n-]c1=S 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/nfs/dbraw/zinc/61/65/97/557616597.db2.gz DJZQVGGBQWXXSS-HXUWFJFHSA-N -1 1 411.429 4.049 50 30 HIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)s1 ZINC000005818304 557676262 /nfs/dbraw/zinc/67/62/62/557676262.db2.gz GNCDVUBONBOQJP-QGZVFWFLSA-N -1 1 409.442 4.077 50 30 HIEAMM CC[C@H](C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005931421 557681392 /nfs/dbraw/zinc/68/13/92/557681392.db2.gz BXJNJJCREKDEQP-LRDDRELGSA-N -1 1 410.543 4.256 50 30 HIEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000013552801 558843449 /nfs/dbraw/zinc/84/34/49/558843449.db2.gz AWNYTZUTPAMTBC-HXUWFJFHSA-N -1 1 422.412 4.304 50 30 HIEAMM CCOC(=O)c1c2c(sc1NC(C)=O)/C(=N\[O-])[C@H](Sc1ccccc1)CC2 ZINC000100563388 559227689 /nfs/dbraw/zinc/22/76/89/559227689.db2.gz IOEXOESFPUIGLA-VDVBZYJVSA-N -1 1 404.513 4.169 50 30 HIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccco2)cc1 ZINC000102495215 560812281 /nfs/dbraw/zinc/81/22/81/560812281.db2.gz BVDMCHIWPPTVAG-GHNGSUTGSA-N -1 1 424.478 4.378 50 30 HIEAMM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncccn3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102696994 560820072 /nfs/dbraw/zinc/82/00/72/560820072.db2.gz XIWVEGHMHWMQCH-SELCWUDQSA-N -1 1 405.841 4.065 50 30 HIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102696994 560820074 /nfs/dbraw/zinc/82/00/74/560820074.db2.gz XIWVEGHMHWMQCH-SELCWUDQSA-N -1 1 405.841 4.065 50 30 HIEAMM COc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)c1 ZINC000102803567 560826690 /nfs/dbraw/zinc/82/66/90/560826690.db2.gz SOVZRZWRDVTWNC-YDJIHCHBSA-N -1 1 420.852 4.370 50 30 HIEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)c1 ZINC000102803567 560826693 /nfs/dbraw/zinc/82/66/93/560826693.db2.gz SOVZRZWRDVTWNC-YDJIHCHBSA-N -1 1 420.852 4.370 50 30 HIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102804396 560826754 /nfs/dbraw/zinc/82/67/54/560826754.db2.gz DGCUMNFNVJEZKO-LFVOPCPISA-N -1 1 424.840 4.271 50 30 HIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccs2)no1 ZINC000102804278 560826838 /nfs/dbraw/zinc/82/68/38/560826838.db2.gz WXIQSQGZKMOHDF-UYTDBDHRSA-N -1 1 400.843 4.324 50 30 HIEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102804926 560826986 /nfs/dbraw/zinc/82/69/86/560826986.db2.gz LNZSTZFHEXYMOV-NHFXJNLRSA-N -1 1 422.412 4.147 50 30 HIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2ccccc2)cc1 ZINC000102926739 560834424 /nfs/dbraw/zinc/83/44/24/560834424.db2.gz XUZZUBPTMXZNPS-GHNGSUTGSA-N -1 1 406.463 4.168 50 30 HIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2ccccc2)cc1 ZINC000102926739 560834425 /nfs/dbraw/zinc/83/44/25/560834425.db2.gz XUZZUBPTMXZNPS-GHNGSUTGSA-N -1 1 406.463 4.168 50 30 HIEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cccs1)c1ccc(Cl)cc1 ZINC000104190782 560849695 /nfs/dbraw/zinc/84/96/95/560849695.db2.gz INEAPZUXKHWWCX-SXWSKBOKSA-N -1 1 402.884 4.484 50 30 HIEAMM COc1ccc([C@@H]2Nc3ccccc3C(=O)N2[O-])cc1COc1ccc(C#N)cc1 ZINC000000653919 568459827 /nfs/dbraw/zinc/45/98/27/568459827.db2.gz LJSQGUKVETYLAX-JOCHJYFZSA-N -1 1 401.422 4.102 50 30 HIEAMM Cn1c(CCc2ccccc2[N-]S(=O)(=O)c2cccc(C#N)c2)nc2ccccc21 ZINC000021357200 568688326 /nfs/dbraw/zinc/68/83/26/568688326.db2.gz PLJRRWIGILGVHV-UHFFFAOYSA-N -1 1 416.506 4.031 50 30 HIEAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005868766 568827198 /nfs/dbraw/zinc/82/71/98/568827198.db2.gz STSHDNCIXSKQNE-MRXNPFEDSA-N -1 1 410.543 4.258 50 30 HIEAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 ZINC000005923883 568829734 /nfs/dbraw/zinc/82/97/34/568829734.db2.gz QHUPJFKVRBAYIF-HNNXBMFYSA-N -1 1 401.919 4.490 50 30 HIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000001464673 568990072 /nfs/dbraw/zinc/99/00/72/568990072.db2.gz RGSQAEJUZDMOSN-AWEZNQCLSA-N -1 1 417.899 4.344 50 30 HIEAMM C=C(C)CNC(=S)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1C ZINC000006332342 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HIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000016975035 558811014 /nfs/dbraw/zinc/81/10/14/558811014.db2.gz RFWDKHYWTWARBD-FQEVSTJZSA-N -1 1 415.405 4.081 50 30 HIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000016975027 558811021 /nfs/dbraw/zinc/81/10/21/558811021.db2.gz RFWDKHYWTWARBD-HXUWFJFHSA-N -1 1 415.405 4.081 50 30 HIEAMM COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000013735101 558861296 /nfs/dbraw/zinc/86/12/96/558861296.db2.gz HMBHUKPONGEMAM-FQEVSTJZSA-N -1 1 422.387 4.151 50 30 HIEAMM C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C(=O)[N-]C1=S ZINC000004711437 558916835 /nfs/dbraw/zinc/91/68/35/558916835.db2.gz VWNWRJDAKSUPLU-KGENOOAVSA-N -1 1 415.518 4.060 50 30 HIEAMM Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCC(=O)[O-])[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102501608 560812669 /nfs/dbraw/zinc/81/26/69/560812669.db2.gz IOBIYPPHRAXIKM-MOBKVPTQSA-N -1 1 421.493 4.405 50 30 HIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)cc1 ZINC000102713639 560823109 /nfs/dbraw/zinc/82/31/09/560823109.db2.gz RKCJGWAHAUYWTL-JBCNATCCSA-N -1 1 418.449 4.398 50 30 HIEAMM COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000102804083 560826743 /nfs/dbraw/zinc/82/67/43/560826743.db2.gz SVUHAWIMHZKKPA-WOOAAIBNSA-N -1 1 424.840 4.271 50 30 HIEAMM COc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)c1 ZINC000102799143 560828189 /nfs/dbraw/zinc/82/81/89/560828189.db2.gz HCJFWSSUSURGJI-MRJHHRETSA-N -1 1 403.409 4.461 50 30 HIEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102875909 560830656 /nfs/dbraw/zinc/83/06/56/560830656.db2.gz FTGFLBUJVUXGOK-NHFXJNLRSA-N -1 1 420.852 4.370 50 30 HIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102875909 560830658 /nfs/dbraw/zinc/83/06/58/560830658.db2.gz FTGFLBUJVUXGOK-NHFXJNLRSA-N -1 1 420.852 4.370 50 30 HIEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000104146411 560848914 /nfs/dbraw/zinc/84/89/14/560848914.db2.gz WFYCZGRAEONMMF-MRJHHRETSA-N -1 1 403.409 4.461 50 30 HIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nncs3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000104196565 560849650 /nfs/dbraw/zinc/84/96/50/560849650.db2.gz XRFSUHSKVOYZOG-IBOXJLQUSA-N -1 1 411.870 4.126 50 30 HIEAMM CC1(C)SC(=S)N(/N=C/c2cccs2)[C@H]1N([O-])C(=O)Nc1ccccc1 ZINC000012320977 568470607 /nfs/dbraw/zinc/47/06/07/568470607.db2.gz NRUCIBZFPFTGGX-BGARDKSCSA-N -1 1 406.558 4.444 50 30 HIEAMM C=CCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000086056910 568753686 /nfs/dbraw/zinc/75/36/86/568753686.db2.gz NKCNSIUYHDOVCW-QGZVFWFLSA-N -1 1 419.506 4.101 50 30 HIEAMM COC(=O)C[C@H](c1ccc(OC(C)C)c(OC)c1)C1=C([O-])C(=O)c2ccccc2C1=O ZINC000217595326 568896555 /nfs/dbraw/zinc/89/65/55/568896555.db2.gz IPOUIVBUPOOQBE-QGZVFWFLSA-N -1 1 424.449 4.020 50 30 HIEAMM C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(C)N2 ZINC000007990976 568976082 /nfs/dbraw/zinc/97/60/82/568976082.db2.gz LPDPASHDSPLHRX-OAHLLOKOSA-N -1 1 417.918 4.096 50 30 HIEAMM C=CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)[N-]C1=S ZINC000012343711 568994417 /nfs/dbraw/zinc/99/44/17/568994417.db2.gz NASLGRREAVKNNT-XFXZXTDPSA-N -1 1 407.278 4.066 50 30 HIEAMM C=CCN1c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2OCC(C)(C)C1=O ZINC000009167080 571232914 /nfs/dbraw/zinc/23/29/14/571232914.db2.gz SQSBREKGKWCBIM-UHFFFAOYSA-N -1 1 414.527 4.042 50 30 HIEAMM C=CCOC(=O)C1=C(C)Nc2nc(SCCC)[n-]c(=O)c2[C@H]1c1ccccc1C ZINC000009569619 571268630 /nfs/dbraw/zinc/26/86/30/571268630.db2.gz FRBCNPAFYBSZMW-KRWDZBQOSA-N -1 1 411.527 4.141 50 30 HIEAMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3cccc(Br)c3)s2)c(=O)o1 ZINC000102500428 852664937 /nfs/dbraw/zinc/66/49/37/852664937.db2.gz DIVNLISLGNQJOO-SUQGKYDKSA-N -1 1 417.280 4.406 50 30 HIEAMM C=CCn1c(Cc2csc(NC(=O)c3cc(Cl)ccc3F)n2)n[n-]c1=S ZINC000024839171 519193012 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CGWURMMFSNXJPY-MRXNPFEDSA-N -1 1 400.843 4.481 50 30 HIEAMM CCCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2cccnc2)c1 ZINC000013470812 558533766 /nfs/dbraw/zinc/53/37/66/558533766.db2.gz GVERFIGASQKERG-GOSISDBHSA-N -1 1 421.478 4.110 50 30 HIEAMM COc1cccc(C(=O)C=C(Nc2cc(C)c(C)cc2Br)C(=O)[O-])c1 ZINC000004822087 559150644 /nfs/dbraw/zinc/15/06/44/559150644.db2.gz MZTPXOXDDUJQQN-YVLHZVERSA-N -1 1 404.260 4.338 50 30 HIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000018008347 560743879 /nfs/dbraw/zinc/74/38/79/560743879.db2.gz DYCJAJLLXVAAST-QGZVFWFLSA-N -1 1 410.426 4.074 50 30 HIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000018158569 560780177 /nfs/dbraw/zinc/78/01/77/560780177.db2.gz QWWMHXGQMRSADX-HXUWFJFHSA-N -1 1 404.422 4.083 50 30 HIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)no1 ZINC000102702360 560820359 /nfs/dbraw/zinc/82/03/59/560820359.db2.gz ZJLBPLBXQIQIKF-GHNGSUTGSA-N -1 1 412.804 4.402 50 30 HIEAMM CC[C@H]1CCc2c(C#N)c([N-]C(=O)c3nc4nc(C)cc(C(F)F)n4n3)sc2C1 ZINC000000815220 568490086 /nfs/dbraw/zinc/49/00/86/568490086.db2.gz DCIPGNMYCBPDSH-JTQLQIEISA-N -1 1 416.457 4.071 50 30 HIEAMM O=C([O-])CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1Cl ZINC000020130040 568589680 /nfs/dbraw/zinc/58/96/80/568589680.db2.gz MMECPSKSAARMQF-KRWDZBQOSA-N -1 1 420.248 4.046 50 30 HIEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000005799638 568734962 /nfs/dbraw/zinc/73/49/62/568734962.db2.gz BVYPIOPCBYPIKT-HXUWFJFHSA-N -1 1 404.422 4.165 50 30 HIEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000005799638 568734963 /nfs/dbraw/zinc/73/49/63/568734963.db2.gz BVYPIOPCBYPIKT-HXUWFJFHSA-N -1 1 404.422 4.165 50 30 HIEAMM COC(=O)c1ccc(/N=C2/S/C(=C\c3ccc([O-])c(Cl)c3)C(=O)N2C)cc1 ZINC000001012335 568763118 /nfs/dbraw/zinc/76/31/18/568763118.db2.gz QWFDHKLGSTWZLX-PMDYYOJLSA-N -1 1 402.859 4.066 50 30 HIEAMM O=C(C1=C([O-])C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1)c1ccccc1 ZINC000004312744 568961342 /nfs/dbraw/zinc/96/13/42/568961342.db2.gz OUUPSQVMZIDSRY-FQEVSTJZSA-N -1 1 400.390 4.378 50 30 HIEAMM C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C(=O)[N-]C1=S ZINC000000681104 569005938 /nfs/dbraw/zinc/00/59/38/569005938.db2.gz FUKDLIIPDRNNAX-DEDYPNTBSA-N -1 1 407.539 4.030 50 30 HIEAMM CCc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000006294649 569038214 /nfs/dbraw/zinc/03/82/14/569038214.db2.gz XECGWIOWCYSDCF-HXUWFJFHSA-N -1 1 406.413 4.467 50 30 HIEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000006294649 569038215 /nfs/dbraw/zinc/03/82/15/569038215.db2.gz XECGWIOWCYSDCF-HXUWFJFHSA-N -1 1 406.413 4.467 50 30 HIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccccc2)cc1 ZINC000006780859 569120418 /nfs/dbraw/zinc/12/04/18/569120418.db2.gz QTTDZEYRRLKHLY-JOCHJYFZSA-N -1 1 412.445 4.429 50 30 HIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000016973090 569269630 /nfs/dbraw/zinc/26/96/30/569269630.db2.gz KORSRGSVPLWDNL-HXUWFJFHSA-N -1 1 415.405 4.081 50 30 HIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)cc1 ZINC000017058551 569272787 /nfs/dbraw/zinc/27/27/87/569272787.db2.gz VRUXOWSFAQWOLL-FQEVSTJZSA-N -1 1 404.422 4.165 50 30 HIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)cc1 ZINC000017058551 569272789 /nfs/dbraw/zinc/27/27/89/569272789.db2.gz VRUXOWSFAQWOLL-FQEVSTJZSA-N -1 1 404.422 4.165 50 30 HIEAMM CO[C@]1(/C(C)=N/[O-])[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012660442 569402570 /nfs/dbraw/zinc/40/25/70/569402570.db2.gz FRVKEWVTLSYVMG-FJXGPOKGSA-N -1 1 419.562 4.087 50 30 HIEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(O)cc2)sc1C ZINC000008987248 571205840 /nfs/dbraw/zinc/20/58/40/571205840.db2.gz ZRULOLVUMIRUAB-GOSISDBHSA-N -1 1 424.453 4.388 50 30 HIEAMM C=CCN1C(=O)C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C(=O)[N-]C1=S ZINC000009010062 571210329 /nfs/dbraw/zinc/21/03/29/571210329.db2.gz DFVCXIXTRUFDNV-HMMYKYKNSA-N -1 1 417.534 4.292 50 30 HIEAMM C=CCN1c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2OCC(C)(C)C1=O ZINC000009166776 571232962 /nfs/dbraw/zinc/23/29/62/571232962.db2.gz AMVYRMPFQVHBLS-UHFFFAOYSA-N -1 1 420.918 4.078 50 30 HIEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000009462504 571260742 /nfs/dbraw/zinc/26/07/42/571260742.db2.gz SRBIBBFVBRILDK-LJQANCHMSA-N -1 1 422.462 4.392 50 30 HIEAMM