smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCOc1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)cc1OCC ZINC000006601751 209659142 /nfs/dbraw/zinc/65/91/42/209659142.db2.gz NSXVKFQIHAUUQX-FOWTUZBSSA-N -1 0 397.496 5.499 50 0 GKAARM O=C([O-])C[C@H](NC(=O)c1sc2ccccc2c1Cl)c1cccc(Cl)c1 ZINC000004686718 209512572 /nfs/dbraw/zinc/51/25/72/209512572.db2.gz NAPIXIIIRNHHKB-ZDUSSCGKSA-N -1 0 394.279 5.154 50 0 GKAARM O=C([O-])c1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)c1 ZINC000002878735 209393877 /nfs/dbraw/zinc/39/38/77/209393877.db2.gz XEIBCHXLNIPJOF-UHFFFAOYSA-N -1 0 375.247 5.014 50 0 GKAARM CCCCCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] ZINC000002171132 209348449 /nfs/dbraw/zinc/34/84/49/209348449.db2.gz XXXUALJFAUXZEI-UHFFFAOYSA-N -1 0 388.074 5.736 50 0 GKAARM CCCCCCc1cc2c(cc1O[C@H](C)C(=O)[O-])oc(=O)cc2-c1ccccc1 ZINC000002291716 209355057 /nfs/dbraw/zinc/35/50/57/209355057.db2.gz MVEMCXWJWRZHAI-MRXNPFEDSA-N -1 0 394.467 5.435 50 0 GKAARM CCCc1sc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C(=O)[O-])c1C ZINC000002281509 209354253 /nfs/dbraw/zinc/35/42/53/209354253.db2.gz VWEONMXMFVNKAV-UHFFFAOYSA-N -1 0 379.481 5.627 50 0 GKAARM CC(C)CCCCCOc1ccc(-c2cc(C(=O)[O-])c3ccccc3n2)cc1 ZINC000001883742 209341302 /nfs/dbraw/zinc/34/13/02/209341302.db2.gz NBCSNZIICGXYQN-UHFFFAOYSA-N -1 0 377.484 6.195 50 0 biogenic GKAARM O=C([O-])c1cc(-c2ccc(-c3cccc(Cl)c3Cl)o2)nc2ccccc21 ZINC000001789980 209339531 /nfs/dbraw/zinc/33/95/31/209339531.db2.gz OSRNAPWVHIGZTK-UHFFFAOYSA-N -1 0 384.218 6.167 50 0 GKAARM CC(C)(C)c1ccc(C(=O)Nc2scc(-c3ccccc3)c2C(=O)[O-])cc1 ZINC000001746510 209336356 /nfs/dbraw/zinc/33/63/56/209336356.db2.gz SBKLQRORXWIPGJ-UHFFFAOYSA-N -1 0 379.481 5.663 50 0 GKAARM CC(C)(C)c1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2cnc3ccccc3c2)c1 ZINC000001436714 209327852 /nfs/dbraw/zinc/32/78/52/209327852.db2.gz JMBISMYVHIAXTK-UHFFFAOYSA-N -1 0 396.556 5.631 50 0 GKAARM O=c1oc2cc([O-])ccc2cc1-c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000001230855 209315655 /nfs/dbraw/zinc/31/56/55/209315655.db2.gz LAIGOIAZKFSVQD-UHFFFAOYSA-N -1 0 390.247 5.596 50 0 GKAARM CCOc1ccccc1Nc1nc(-c2cc(C)ccc2C)c(CC(=O)[O-])s1 ZINC000001175119 209309868 /nfs/dbraw/zinc/30/98/68/209309868.db2.gz OYLLZHCNUUOXOO-UHFFFAOYSA-N -1 0 382.485 5.196 50 0 GKAARM O=C([N-]C(=O)c1c(Cl)cccc1Cl)Oc1c(Cl)cccc1Cl ZINC000001044639 209292414 /nfs/dbraw/zinc/29/24/14/209292414.db2.gz HNTUMVBVBZGVSS-UHFFFAOYSA-N -1 0 379.026 5.229 50 0 GKAARM O=C([O-])[C@H](CC(=O)c1ccccc1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000001020907 209288740 /nfs/dbraw/zinc/28/87/40/209288740.db2.gz SCVVSPICUFOPGD-OAQYLSRUSA-N -1 0 383.447 5.131 50 0 GKAARM Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4CCCC[C@H]4C(=O)[O-])cc3)sc2c1 ZINC000000675174 209257883 /nfs/dbraw/zinc/25/78/83/209257883.db2.gz GMEIESRUGGZCFX-DLBZAZTESA-N -1 0 394.496 5.101 50 0 GKAARM O=C([O-])c1c2cc(OCc3ccccc3Cl)ccc2oc1-c1ccccc1 ZINC000000634139 209227468 /nfs/dbraw/zinc/22/74/68/209227468.db2.gz AQULKWXHUZCFRK-UHFFFAOYSA-N -1 0 378.811 6.030 50 0 GKAARM COc1ccc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)[O-])cc1 ZINC000001412561 212243111 /nfs/dbraw/zinc/24/31/11/212243111.db2.gz MRYIHSSQUPSQIG-UHFFFAOYSA-N -1 0 387.844 5.028 50 0 GKAARM CC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccccc3C(=O)[O-])cn2)cc1 ZINC000001034047 212207729 /nfs/dbraw/zinc/20/77/29/212207729.db2.gz SJEQMFGKEOUWGF-UHFFFAOYSA-N -1 0 390.439 5.122 50 0 GKAARM O=C([O-])c1cccc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)c1 ZINC000000850402 212188502 /nfs/dbraw/zinc/18/85/02/212188502.db2.gz BKVZVKYAXXJNNF-UHFFFAOYSA-N -1 0 375.815 5.392 50 0 GKAARM O=C([O-])c1cc(Cl)c(Cl)cc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000000705303 212175535 /nfs/dbraw/zinc/17/55/35/212175535.db2.gz YTTNETGEAJMIBE-UHFFFAOYSA-N -1 0 379.026 5.251 50 0 GKAARM Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC[C@@](C)(C(=O)[O-])C3(C)C)cc2)c1C ZINC000000629878 212167119 /nfs/dbraw/zinc/16/71/19/212167119.db2.gz DJSQHDSOHDWBAC-CYFREDJKSA-N -1 0 395.499 5.561 50 0 GKAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(SC)cc2)C1 ZINC000033469827 212160789 /nfs/dbraw/zinc/16/07/89/212160789.db2.gz XAURXUWWDWVQHT-VBKFSLOCSA-N -1 0 390.508 5.031 50 0 GKAARM Cc1cn2c(/C=C(/CCC(=O)[O-])c3nc4ccccc4s3)c(C)nc2s1 ZINC000096930351 203834176 /nfs/dbraw/zinc/83/41/76/203834176.db2.gz BBBHAVJAULCCSW-LCYFTJDESA-N -1 0 383.498 5.028 50 0 GKAARM COC(=O)c1ccccc1-c1ccc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)o1 ZINC000004291747 204036807 /nfs/dbraw/zinc/03/68/07/204036807.db2.gz ZYBPXAKUWKOVQM-ZHACJKMWSA-N -1 0 399.402 5.150 50 0 GKAARM O=C([O-])c1cc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)ccc1O ZINC000004335386 204038836 /nfs/dbraw/zinc/03/88/36/204038836.db2.gz JWASFIMFXRRPEO-UHFFFAOYSA-N -1 0 391.814 5.098 50 0 GKAARM CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(CC(=O)[O-])n2C1 ZINC000003805769 204019462 /nfs/dbraw/zinc/01/94/62/204019462.db2.gz UAWXGRJVZSAUSZ-UHFFFAOYSA-N -1 0 379.887 5.685 50 0 investigational GKAARM COC(=O)CCc1ccc(CCCCCCc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000004788027 204075865 /nfs/dbraw/zinc/07/58/65/204075865.db2.gz SKJFSUOYFQNHID-UHFFFAOYSA-N -1 0 396.527 5.155 50 0 GKAARM Cc1ccc2oc(-c3ccc(NC(=O)c4ccccc4Cl)cc3O)nc2c1 ZINC000005198790 204117904 /nfs/dbraw/zinc/11/79/04/204117904.db2.gz GXAPLPOCTOGSMG-UHFFFAOYSA-N -1 0 378.815 5.415 50 0 GKAARM Cc1ccc(-c2onc3ccc(-c4cc(C(=O)[O-])c5cc(F)ccc5n4)cc32)cc1 ZINC000005014237 204102630 /nfs/dbraw/zinc/10/26/30/204102630.db2.gz KNMHIYXOQBUFMB-UHFFFAOYSA-N -1 0 398.393 5.856 50 0 GKAARM C[C@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccccc2OC(F)F)C1 ZINC000005832416 204152402 /nfs/dbraw/zinc/15/24/02/204152402.db2.gz NDTLFHHKRXDBBG-MLJWKTOOSA-N -1 0 395.405 5.657 50 0 GKAARM Cc1ccc(-c2[nH]nc3nc(-c4cccc5ccccc54)cc(C(=O)[O-])c32)cc1 ZINC000006733077 204197678 /nfs/dbraw/zinc/19/76/78/204197678.db2.gz WLJRNJKEZHJAKU-UHFFFAOYSA-N -1 0 379.419 5.452 50 0 GKAARM CCOc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1Cl ZINC000011613727 204348213 /nfs/dbraw/zinc/34/82/13/204348213.db2.gz HKPWBBDCCLFYJN-UHFFFAOYSA-N -1 0 394.707 5.155 50 0 GKAARM CSc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1 ZINC000015107101 204562828 /nfs/dbraw/zinc/56/28/28/204562828.db2.gz ZOOVOYOUCUNAPN-HNNXBMFYSA-N -1 0 395.505 5.309 50 0 GKAARM CCc1c(C)nc(-c2ccc(Cl)s2)nc1Nc1ccc(CC(=O)[O-])cc1 ZINC000034805518 204976707 /nfs/dbraw/zinc/97/67/07/204976707.db2.gz FDVSPBLZPJMXFV-UHFFFAOYSA-N -1 0 387.892 5.100 50 0 in-vitro GKAARM O=C([O-])CCCC[C@@H](CCSCc1ccccc1)SCc1ccccc1 ZINC000043208702 205081139 /nfs/dbraw/zinc/08/11/39/205081139.db2.gz ZYRLHJIMTROTBO-NRFANRHFSA-N -1 0 388.598 6.257 50 0 investigational GKAARM Cc1cccc(C(=O)Nc2ccc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c2)c1 ZINC000046053493 205103843 /nfs/dbraw/zinc/10/38/43/205103843.db2.gz DQYOSRKVARYEOE-UHFFFAOYSA-N -1 0 382.504 5.064 50 0 GKAARM CC(C)(C)C(=O)Nc1ccc(-c2csc(-c3cccc(C(=O)[O-])c3)n2)cc1 ZINC000058474237 205176379 /nfs/dbraw/zinc/17/63/79/205176379.db2.gz SUVXICGAENDLKW-UHFFFAOYSA-N -1 0 380.469 5.160 50 0 GKAARM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)cc1 ZINC000065004131 205205499 /nfs/dbraw/zinc/20/54/99/205205499.db2.gz DFDLJLXMWRWVEH-UHFFFAOYSA-N -1 0 388.514 5.205 50 0 GKAARM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)c1C ZINC000065004283 205205882 /nfs/dbraw/zinc/20/58/82/205205882.db2.gz NJFXYZJWJHYQDO-UHFFFAOYSA-N -1 0 388.514 5.088 50 0 GKAARM Cc1ccc(C)c([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)c1 ZINC000064796299 205195145 /nfs/dbraw/zinc/19/51/45/205195145.db2.gz ORTBAUWBXJBJEG-MRXNPFEDSA-N -1 0 395.455 5.343 50 0 GKAARM Cc1ccc(C)c([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)c1 ZINC000064795259 205195282 /nfs/dbraw/zinc/19/52/82/205195282.db2.gz LPFCSCYKHDDESY-MRXNPFEDSA-N -1 0 377.465 5.204 50 0 GKAARM CCc1csc(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)s2)n1 ZINC000064769310 205195416 /nfs/dbraw/zinc/19/54/16/205195416.db2.gz UGEPCSABLRWZIL-UHFFFAOYSA-N -1 0 398.962 5.197 50 0 GKAARM CCc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1 ZINC000064795264 205195670 /nfs/dbraw/zinc/19/56/70/205195670.db2.gz OCXGSIOEWNKDEL-MRXNPFEDSA-N -1 0 377.465 5.150 50 0 GKAARM Cc1ccc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[O-])cc1 ZINC000000640933 206249034 /nfs/dbraw/zinc/24/90/34/206249034.db2.gz LNDPWHCNQRWZRC-UHFFFAOYSA-N -1 0 393.053 5.559 50 0 GKAARM CCc1cc2c(cc1[O-])oc(-c1ccccc1)c(-c1nc3ccccc3n1C)c2=O ZINC000011867612 206294371 /nfs/dbraw/zinc/29/43/71/206294371.db2.gz SQEPBCAWGMMFCA-UHFFFAOYSA-N -1 0 396.446 5.282 50 0 GKAARM O=C([O-])CC/C(=C/c1cccc(Cl)c1Cl)c1nc2ccccc2s1 ZINC000033653279 206304201 /nfs/dbraw/zinc/30/42/01/206304201.db2.gz JODBEDJAMRUWPS-BENRWUELSA-N -1 0 378.280 6.009 50 0 GKAARM O=c1ccc2ccc([O-])c(C3=Nc4ccccc4S[C@H](c4ccccc4)C3)c2o1 ZINC000000688068 206316598 /nfs/dbraw/zinc/31/65/98/206316598.db2.gz OZAPMFWNGGEYTR-NRFANRHFSA-N -1 0 399.471 5.857 50 0 GKAARM CC(C)(C)[C@H]1CCc2oc3ccc([N-]S(=O)(=O)c4cccs4)cc3c2C1 ZINC000000944468 206335562 /nfs/dbraw/zinc/33/55/62/206335562.db2.gz SSIITVQMCCAEOU-ZDUSSCGKSA-N -1 0 389.542 5.446 50 0 GKAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccc3ccccc3c2)cc1 ZINC000000990678 206339552 /nfs/dbraw/zinc/33/95/52/206339552.db2.gz COWVJZMSQNLITM-VXKWHMMOSA-N -1 0 389.451 5.462 50 0 GKAARM Cc1cc(C(C)(C)C)ccc1Oc1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000001874444 206392573 /nfs/dbraw/zinc/39/25/73/206392573.db2.gz SWJYICSUYMLLKX-UHFFFAOYSA-N -1 0 384.479 6.401 50 0 GKAARM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C\c1cccc(Cl)c1Cl ZINC000003885015 206494824 /nfs/dbraw/zinc/49/48/24/206494824.db2.gz WLIJVGZRMQXPPX-ACCUITESSA-N -1 0 384.262 6.117 50 0 GKAARM Cc1oc(-c2ccccc2)cc1C(=O)NCCCCCCCCCCC(=O)[O-] ZINC000004838411 206560613 /nfs/dbraw/zinc/56/06/13/206560613.db2.gz ZZTWOCUDCCQGBP-UHFFFAOYSA-N -1 0 385.504 5.580 50 0 GKAARM CCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2c(C)cccc2C)c1=O ZINC000100658473 211388664 /nfs/dbraw/zinc/38/86/64/211388664.db2.gz MGJWTCZEHCQJET-UHFFFAOYSA-N -1 0 392.499 5.157 50 0 GKAARM O=C([O-])CC/C(=C\c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1 ZINC000006085063 206638659 /nfs/dbraw/zinc/63/86/59/206638659.db2.gz NDZISIQKSMGZSK-FMIVXFBMSA-N -1 0 378.280 6.009 50 0 GKAARM Cc1ccc(-c2c(C(=O)[O-])sc3c2NC(=O)C[C@@H]3c2ccc(F)cc2)cc1 ZINC000064796144 210947600 /nfs/dbraw/zinc/94/76/00/210947600.db2.gz AQMRTFASLPNREE-OAHLLOKOSA-N -1 0 381.428 5.035 50 0 GKAARM Cc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1C ZINC000064797279 210947095 /nfs/dbraw/zinc/94/70/95/210947095.db2.gz XHLVLPDNQDOWIL-INIZCTEOSA-N -1 0 395.455 5.343 50 0 GKAARM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C/c1ccc(OC(F)F)cc1 ZINC000033573756 210652083 /nfs/dbraw/zinc/65/20/83/210652083.db2.gz KALDDSYHOFURCX-OWBHPGMISA-N -1 0 381.378 5.411 50 0 GKAARM O=C(C[C@@H](c1cccs1)c1c(=O)oc2ccccc2c1[O-])c1cccs1 ZINC000019897606 207170652 /nfs/dbraw/zinc/17/06/52/207170652.db2.gz GFEBQYSEVVYVGW-ZDUSSCGKSA-N -1 0 382.462 5.027 50 0 GKAARM CCc1ccc(-c2[nH]nc3nc(-c4cccc(Cl)c4)cc(C(=O)[O-])c32)cc1 ZINC000020492371 207199602 /nfs/dbraw/zinc/19/96/02/207199602.db2.gz XKWHSYGVTQZUKE-UHFFFAOYSA-N -1 0 377.831 5.206 50 0 GKAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2nc(-c3ccc(C)cc3)cc(C(F)F)c12 ZINC000020615266 207207819 /nfs/dbraw/zinc/20/78/19/207207819.db2.gz NXGOBCXGFOHGML-UHFFFAOYSA-N -1 0 393.393 5.340 50 0 GKAARM Cc1ccc2nc(-c3ccccc3[N-]S(=O)(=O)c3ccccc3F)ccc2c1 ZINC000033113764 207438121 /nfs/dbraw/zinc/43/81/21/207438121.db2.gz NLONKWVQDKABKM-UHFFFAOYSA-N -1 0 392.455 5.150 50 0 GKAARM O=C([O-])/C=C/c1ccc(-c2cc(C(F)(F)F)c(Br)cc2Cl)o1 ZINC000057327620 207751035 /nfs/dbraw/zinc/75/10/35/207751035.db2.gz WLYYIDYRRZFUCP-DUXPYHPUSA-N -1 0 395.558 5.479 50 0 GKAARM O=C([O-])CCCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000077868361 208050370 /nfs/dbraw/zinc/05/03/70/208050370.db2.gz LWISAKTUHDLUTN-UHFFFAOYSA-N -1 0 395.499 5.340 50 0 GKAARM CCCOP(=O)(OCCC)[C@H](Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000002316959 220522611 /nfs/dbraw/zinc/52/26/11/220522611.db2.gz XUDWYJJRYZNXJR-IBGZPJMESA-N -1 0 391.404 5.542 50 0 GKAARM Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C(=O)[O-])c2ccccc2)cc1 ZINC000003220544 220612234 /nfs/dbraw/zinc/61/22/34/220612234.db2.gz CGRYPCYWWIIULX-XQNSMLJCSA-N -1 0 380.447 5.473 50 0 GKAARM Cc1c(C)c(C)c(CSc2cccc(NC(=O)/C=C/C(=O)[O-])c2)c(C)c1C ZINC000003983621 220670791 /nfs/dbraw/zinc/67/07/91/220670791.db2.gz JDUXDNHYHISTJN-MDZDMXLPSA-N -1 0 383.513 5.100 50 0 GKAARM CC[C@](C)(c1ccccc1)[C@H](OC(=O)c1ccccc1C(=O)[O-])c1ccccc1 ZINC000004788653 220764030 /nfs/dbraw/zinc/76/40/30/220764030.db2.gz IBQFNHDYONCBIR-RCZVLFRGSA-N -1 0 388.463 5.651 50 0 GKAARM O=C([O-])c1cccc(-c2cnc3[nH]cc(Cc4c(Cl)cccc4Cl)c3c2)c1 ZINC000299803775 209093824 /nfs/dbraw/zinc/09/38/24/209093824.db2.gz CFYQAKJVUUIANQ-UHFFFAOYSA-N -1 0 397.261 5.826 50 0 GKAARM C[C@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cccc(C(F)(F)F)c2)C1 ZINC000006588096 220944006 /nfs/dbraw/zinc/94/40/06/220944006.db2.gz QZAKRKOGHYMQPI-WDGDVPDHSA-N -1 0 397.396 6.075 50 0 GKAARM Cc1nn(CC(C)C)c(Cl)c1/C=C(\CC(=O)[O-])c1nc2ccccc2s1 ZINC000007748100 221008732 /nfs/dbraw/zinc/00/87/32/221008732.db2.gz VWGBFVCNTIMPAE-MDWZMJQESA-N -1 0 389.908 5.126 50 0 GKAARM COc1ccc(-c2cc(C(=O)[O-])c3cc4c(cc3n2)OC2(CCCCC2)O4)cc1 ZINC000012893108 221242108 /nfs/dbraw/zinc/24/21/08/221242108.db2.gz ZGIBCBDRRBVMIP-UHFFFAOYSA-N -1 0 391.423 5.040 50 0 GKAARM CC(C)(C)Nc1nnc(SCc2c(C(=O)[O-])sc3cccc(F)c32)s1 ZINC000013407327 221267611 /nfs/dbraw/zinc/26/76/11/221267611.db2.gz YKSOJIVYRXVTPV-UHFFFAOYSA-N -1 0 397.522 5.093 50 0 GKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000257358258 209080178 /nfs/dbraw/zinc/08/01/78/209080178.db2.gz SMEROWZSTRWXGI-UPACSUOZSA-N -1 0 376.581 5.507 50 0 GKAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccccc3C(C)C)c2)sc1C ZINC000033297642 221785153 /nfs/dbraw/zinc/78/51/53/221785153.db2.gz AUUZZPPJJWHBFX-UHFFFAOYSA-N -1 0 392.571 5.413 50 0 GKAARM O=C([O-])C[C@@](O)(c1ccccc1)c1ccccc1Sc1ccc(Cl)cc1 ZINC000095918196 222361058 /nfs/dbraw/zinc/36/10/58/222361058.db2.gz UQWMTROGNOVSJT-OAQYLSRUSA-N -1 0 384.884 5.202 50 0 GKAARM O=C([O-])C[C@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000001033261 570236357 /nfs/dbraw/zinc/23/63/57/570236357.db2.gz KNFZVFGMMDEDHN-SFHVURJKSA-N -1 0 375.424 5.066 50 0 GKAARM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3)sc2c1 ZINC000001040199 570237213 /nfs/dbraw/zinc/23/72/13/570237213.db2.gz KLTBEQXYYPJCGK-UHFFFAOYSA-N -1 0 386.523 5.134 50 0 GKAARM Cc1oc2c(cc3c(C)c(CCC(=O)[O-])c(=O)oc3c2C)c1-c1ccccc1 ZINC000002140388 570275851 /nfs/dbraw/zinc/27/58/51/570275851.db2.gz UODLKUHOWBRKDI-UHFFFAOYSA-N -1 0 376.408 5.149 50 0 biogenic GKAARM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)OC1CCCCC1 ZINC000002171058 570277016 /nfs/dbraw/zinc/27/70/16/570277016.db2.gz BTORBNGRIRXHPA-UHFFFAOYSA-N -1 0 386.058 5.488 50 0 GKAARM CC(C(=O)c1ccc(Cl)c(Cl)c1)=C([O-])c1ccc(Cl)c(Cl)c1 ZINC000100784221 570278021 /nfs/dbraw/zinc/27/80/21/570278021.db2.gz NENNGTZCBMYMBJ-UHFFFAOYSA-N -1 0 376.066 6.002 50 0 GKAARM O=C(C=C([O-])c1ccccc1)[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000101515334 570283832 /nfs/dbraw/zinc/28/38/32/570283832.db2.gz FSQWXBNXGNTTNK-QFIPXVFZSA-N -1 0 376.839 5.149 50 0 GKAARM [O-]c1c(Cl)c2c(c(Cl)c1Cl)O[C@H](Nc1ccc3ncccc3c1)C2 ZINC000000658544 570285775 /nfs/dbraw/zinc/28/57/75/570285775.db2.gz LWMBYLUUEPPNSM-LBPRGKRZSA-N -1 0 381.646 5.274 50 0 GKAARM [O-]c1ccccc1-c1nc2ccccc2c(Oc2ccc(Cl)c(Cl)c2)n1 ZINC000002436624 570286825 /nfs/dbraw/zinc/28/68/25/570286825.db2.gz JZWWNQACJGFKJV-UHFFFAOYSA-N -1 0 383.234 6.102 50 0 GKAARM CCc1cccc2c([C@@H](CC(=O)c3ccc(C(C)(C)C)cc3)C(=O)[O-])c[nH]c21 ZINC000002562034 570290937 /nfs/dbraw/zinc/29/09/37/570290937.db2.gz UCKVLKHHTMNVCA-LJQANCHMSA-N -1 0 377.484 5.469 50 0 GKAARM O=C([O-])c1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1Cl ZINC000002582921 570291529 /nfs/dbraw/zinc/29/15/29/570291529.db2.gz VWTRRFPVEGOECO-UHFFFAOYSA-N -1 0 393.826 5.399 50 0 GKAARM O=S(=O)([N-]c1ccccc1Oc1ccccc1)c1cc(Cl)ccc1Cl ZINC000002772321 570300130 /nfs/dbraw/zinc/30/01/30/570300130.db2.gz FMVXOGHOIXRRPB-UHFFFAOYSA-N -1 0 394.279 5.587 50 0 GKAARM Cc1ccccc1CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1 ZINC000032948497 570340942 /nfs/dbraw/zinc/34/09/42/570340942.db2.gz POKARUNNWAZJGH-UHFFFAOYSA-N -1 0 397.550 5.106 50 0 GKAARM O=C([O-])c1c2ccccc2nc(-c2ccc(Cl)cc2)c1Oc1ccc(F)cc1 ZINC000004091476 570357014 /nfs/dbraw/zinc/35/70/14/570357014.db2.gz YIYFUGLOIRQVOA-UHFFFAOYSA-N -1 0 393.801 6.185 50 0 GKAARM CC1=C(C)C[C@@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)[C@H](C(=O)[O-])C1 ZINC000004381325 570372242 /nfs/dbraw/zinc/37/22/42/570372242.db2.gz GROFMWXXTZGLAX-WOJBJXKFSA-N -1 0 399.874 5.518 50 0 GKAARM CC(C)(C)c1ccc(Cc2nnc(SCc3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000024747881 570391031 /nfs/dbraw/zinc/39/10/31/570391031.db2.gz YIWSRKNKKNIWNV-UHFFFAOYSA-N -1 0 399.947 5.411 50 0 GKAARM O=S(=O)([N-]c1cc(Cl)ccc1Oc1ccccc1)c1ccc(Cl)cc1 ZINC000006328977 570392226 /nfs/dbraw/zinc/39/22/26/570392226.db2.gz IHGVWWALUDSNSX-UHFFFAOYSA-N -1 0 394.279 5.587 50 0 GKAARM O=C([O-])c1cc(-c2ccc(-c3ccccc3)o2)nc2ccc(Br)cc21 ZINC000005012598 570395870 /nfs/dbraw/zinc/39/58/70/570395870.db2.gz DXYMSDGRILZHKY-UHFFFAOYSA-N -1 0 394.224 5.623 50 0 GKAARM Cc1csc([N-]c2nccc(-c3cnc(-c4ccc(Cl)cc4)s3)n2)n1 ZINC000221596194 570396953 /nfs/dbraw/zinc/39/69/53/570396953.db2.gz PMKVLJABWXMDMY-UHFFFAOYSA-N -1 0 385.905 5.429 50 0 GKAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1 ZINC000033297778 570405201 /nfs/dbraw/zinc/40/52/01/570405201.db2.gz VLDHLEFBBHOTIU-UHFFFAOYSA-N -1 0 392.571 5.278 50 0 GKAARM CC1(C)CC(=O)c2c([O-])c(-c3ccccc3)c(=O)n(-c3ccc(Cl)cc3)c2C1 ZINC000005408233 570437904 /nfs/dbraw/zinc/43/79/04/570437904.db2.gz ZCVZRYISYDQCBC-UHFFFAOYSA-N -1 0 393.870 5.019 50 0 GKAARM [O-]c1ccccc1-c1nc(N=NCc2ccc(F)cc2)cc(-c2ccccc2)n1 ZINC000252601958 570454034 /nfs/dbraw/zinc/45/40/34/570454034.db2.gz FEPGTDYBZAJVBJ-UHFFFAOYSA-N -1 0 384.414 5.101 50 0 GKAARM Cc1ccc(N=C2N=C(SCC(=O)[O-])N(c3ccccc3)C23CCCC3)cc1 ZINC000252627774 570454603 /nfs/dbraw/zinc/45/46/03/570454603.db2.gz SBECVDOPMJHPOY-UHFFFAOYSA-N -1 0 393.512 5.032 50 0 GKAARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C1SCc2cc(C)c(C)cc2CS1 ZINC000006199521 570471532 /nfs/dbraw/zinc/47/15/32/570471532.db2.gz UDJVOANVOPLBKB-UHFFFAOYSA-N -1 0 396.581 5.990 50 0 GKAARM COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccc(F)cc3)cc2O)cc1 ZINC000005177599 570494584 /nfs/dbraw/zinc/49/45/84/570494584.db2.gz JVBOOCGXYHMORB-UHFFFAOYSA-N -1 0 390.414 5.176 50 0 GKAARM Cc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])nc1-c1ccc(C(C)C)cc1 ZINC000002737964 570510499 /nfs/dbraw/zinc/51/04/99/570510499.db2.gz WRLKXLRPWMGSRF-IRXDYDNUSA-N -1 0 386.517 5.071 50 0 GKAARM Cc1sc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])nc1-c1ccc(C)c(C)c1 ZINC000002735874 570511896 /nfs/dbraw/zinc/51/18/96/570511896.db2.gz PFNAAIWWLHWYAV-ZWKOTPCHSA-N -1 0 398.528 5.121 50 0 GKAARM Cc1sc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])nc1-c1ccc(C)c(C)c1 ZINC000002735876 570512005 /nfs/dbraw/zinc/51/20/05/570512005.db2.gz PFNAAIWWLHWYAV-ROUUACIJSA-N -1 0 398.528 5.121 50 0 GKAARM Cc1cc2oc(=O)c(CC(=O)[O-])c(C)c2c2occ(-c3ccc4ccccc4c3)c21 ZINC000005235562 570523385 /nfs/dbraw/zinc/52/33/85/570523385.db2.gz ZCRUAZRWCCNKDY-UHFFFAOYSA-N -1 0 398.414 5.603 50 0 GKAARM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3nc(C(C)C)cs3)s2)c1 ZINC000064769455 570541598 /nfs/dbraw/zinc/54/15/98/570541598.db2.gz RUZVOONESDXJKR-UHFFFAOYSA-N -1 0 392.571 5.413 50 0 GKAARM Cc1ccc(-c2c(C(=O)[O-])sc3c2NC(=O)C[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000064796224 570546729 /nfs/dbraw/zinc/54/67/29/570546729.db2.gz QRERBJRYBKVFBB-OAHLLOKOSA-N -1 0 397.883 5.549 50 0 GKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@H]2c1cccs1 ZINC000064795785 570546879 /nfs/dbraw/zinc/54/68/79/570546879.db2.gz FOMHQLVKOMHIGQ-NSHDSACASA-N -1 0 389.885 5.302 50 0 GKAARM O=C(c1ccccc1)c1cnc([N-]c2nc3ccccc3o2)nc1-c1ccccc1 ZINC000009111644 570550021 /nfs/dbraw/zinc/55/00/21/570550021.db2.gz VKPKFLJYFJEYCK-UHFFFAOYSA-N -1 0 392.418 5.259 50 0 GKAARM O=C([O-])CCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000039959763 570594042 /nfs/dbraw/zinc/59/40/42/570594042.db2.gz ILAPAFBLFPIIBL-UHFFFAOYSA-N -1 0 390.548 6.357 50 0 GKAARM O=C([O-])c1ccc(Oc2cc(Oc3cccc(Cl)c3)cc([N+](=O)[O-])c2)cc1 ZINC000003050771 570594131 /nfs/dbraw/zinc/59/41/31/570594131.db2.gz LIXNDNCQQJOAMA-UHFFFAOYSA-N -1 0 385.759 5.531 50 0 GKAARM O=S(=O)([N-]c1ccccc1Sc1ccccc1)c1ccc(F)c(Cl)c1 ZINC000003347137 570605639 /nfs/dbraw/zinc/60/56/39/570605639.db2.gz CRJYJIXCTQOXKJ-UHFFFAOYSA-N -1 0 393.892 5.431 50 0 GKAARM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)c1 ZINC000065004394 570644604 /nfs/dbraw/zinc/64/46/04/570644604.db2.gz VJQAKVXHDNLYDP-UHFFFAOYSA-N -1 0 388.514 5.088 50 0 GKAARM COc1cccc(-c2nc3ccccc3c(Oc3ccc(C(C)C)cc3)n2)c1[O-] ZINC000005573728 570656629 /nfs/dbraw/zinc/65/66/29/570656629.db2.gz UOBTXNCIINSXOF-UHFFFAOYSA-N -1 0 386.451 5.927 50 0 GKAARM COc1ccc([C@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3ccccc3S2)cc1 ZINC000005783409 570672332 /nfs/dbraw/zinc/67/23/32/570672332.db2.gz UNHOGMNFQWEKNF-HXUWFJFHSA-N -1 0 393.464 5.020 50 0 biogenic GKAARM COc1ccccc1[C@@H]1CC(c2c([O-])cc(C)oc2=O)=Nc2ccccc2S1 ZINC000005783422 570672373 /nfs/dbraw/zinc/67/23/73/570672373.db2.gz FGEQECFKZHTSEY-FQEVSTJZSA-N -1 0 393.464 5.020 50 0 biogenic GKAARM CCCCOc1ccc(Nc2nc(-c3ccccc3[O-])nc3ccccc32)cc1 ZINC000058158994 570712266 /nfs/dbraw/zinc/71/22/66/570712266.db2.gz OPPFXKUAZMNWQX-UHFFFAOYSA-N -1 0 385.467 5.925 50 0 GKAARM O=C([O-])c1ccccc1C(CC(=O)c1cccs1)CC(=O)c1cccs1 ZINC000016552275 570719417 /nfs/dbraw/zinc/71/94/17/570719417.db2.gz AHLWTFJNALXKHM-UHFFFAOYSA-N -1 0 384.478 5.137 50 0 GKAARM O=C([O-])c1cc(Br)ccc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000004695717 570729179 /nfs/dbraw/zinc/72/91/79/570729179.db2.gz HQRXUHNDNXQYCV-UHFFFAOYSA-N -1 0 396.240 5.067 50 0 GKAARM Cc1cc([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(F)cc3)C2)c(=O)o1 ZINC000013122483 570747419 /nfs/dbraw/zinc/74/74/19/570747419.db2.gz GLGGDGYWFOUPEA-LJQANCHMSA-N -1 0 381.428 5.151 50 0 GKAARM COc1cccc(-c2nc3ccccc3c(Oc3cc(C)cc(C)c3C)n2)c1[O-] ZINC000013123108 570747437 /nfs/dbraw/zinc/74/74/37/570747437.db2.gz QFTHAZBJVFVFEZ-UHFFFAOYSA-N -1 0 386.451 5.729 50 0 GKAARM O=C(Nc1ccccc1Br)c1cc(Cl)c2ccccc2c1[O-] ZINC000003151921 570753539 /nfs/dbraw/zinc/75/35/39/570753539.db2.gz NFLVGVSMXIZRNX-UHFFFAOYSA-N -1 0 376.637 5.214 50 0 GKAARM COc1ccc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3ccccc3S2)cc1 ZINC000018206675 570810235 /nfs/dbraw/zinc/81/02/35/570810235.db2.gz UNHOGMNFQWEKNF-FQEVSTJZSA-N -1 0 393.464 5.020 50 0 biogenic GKAARM O=C([O-])/C=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000004501713 570816772 /nfs/dbraw/zinc/81/67/72/570816772.db2.gz GUYGKQQQQYETEX-PKNBQFBNSA-N -1 0 383.241 5.279 50 0 GKAARM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000004693892 570839060 /nfs/dbraw/zinc/83/90/60/570839060.db2.gz CRCTWPVBMDBCCL-QGZVFWFLSA-N -1 0 394.298 5.237 50 0 GKAARM CCOc1ccccc1Nc1nc(-c2ccc(Cl)cc2)c(CC(=O)[O-])s1 ZINC000004706900 570854891 /nfs/dbraw/zinc/85/48/91/570854891.db2.gz BAGHAUKKNFKAMT-UHFFFAOYSA-N -1 0 388.876 5.233 50 0 GKAARM CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@@H](c2ccc(C(=O)[O-])cc2)S1 ZINC000071288028 570889350 /nfs/dbraw/zinc/88/93/50/570889350.db2.gz VUXUNMUTPQEOLB-QGZVFWFLSA-N -1 0 385.489 5.068 50 0 GKAARM O=C([O-])c1cc(C23CC4CC(CC(C4)C2)C3)nc2ccc(Br)cc21 ZINC000019606712 570929298 /nfs/dbraw/zinc/92/92/98/570929298.db2.gz WQEXPSRCKYVCBG-UHFFFAOYSA-N -1 0 386.289 5.163 50 0 GKAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cc(C)ccc3C)c(C)s2)sc1C ZINC000033290060 570960750 /nfs/dbraw/zinc/96/07/50/570960750.db2.gz BHXRTWSVDKVWHE-UHFFFAOYSA-N -1 0 392.571 5.215 50 0 GKAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)c(C)s2)n1 ZINC000033289970 570960899 /nfs/dbraw/zinc/96/08/99/570960899.db2.gz KDCWDWXGVYTWBV-UHFFFAOYSA-N -1 0 398.962 5.251 50 0 GKAARM Cc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000033290158 570961320 /nfs/dbraw/zinc/96/13/20/570961320.db2.gz SUTUHTWYLSRGSX-UHFFFAOYSA-N -1 0 392.571 5.413 50 0 GKAARM CC[C@](C)(c1ccccc1)[C@@H](OC(=O)c1ccccc1C(=O)[O-])c1ccccc1 ZINC000004788666 570997040 /nfs/dbraw/zinc/99/70/40/570997040.db2.gz IBQFNHDYONCBIR-WIOPSUGQSA-N -1 0 388.463 5.651 50 0 GKAARM CC(C)Cc1ccc([C@H](NC(=O)CC2(C(=O)[O-])CCCC2)c2cccs2)cc1 ZINC000012751172 571003713 /nfs/dbraw/zinc/00/37/13/571003713.db2.gz RESIIESIUUGTTK-NRFANRHFSA-N -1 0 399.556 5.187 50 0 GKAARM Cc1ccccc1C(=O)Nc1ccc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c1 ZINC000046053492 571015062 /nfs/dbraw/zinc/01/50/62/571015062.db2.gz KAWBGIUPUYJJCN-UHFFFAOYSA-N -1 0 382.504 5.064 50 0 GKAARM CC(C)(C)[C@H]1CCc2c(sc3c2[C@H](c2ccc(C(=O)[O-])cc2)CC(=O)N3)C1 ZINC000015107618 210152196 /nfs/dbraw/zinc/15/21/96/210152196.db2.gz TUFXWLVRQXFKOB-HOCLYGCPSA-N -1 0 383.513 5.071 50 0 GKAARM O=C([O-])C[C@@H](NC(=O)c1ccc(C2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000013175632 210053770 /nfs/dbraw/zinc/05/37/70/210053770.db2.gz SESHIXYYZODXGT-HXUWFJFHSA-N -1 0 385.891 5.334 50 0 GKAARM Cc1sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])nc1-c1ccc(C)cc1C ZINC000004651946 209505398 /nfs/dbraw/zinc/50/53/98/209505398.db2.gz IAJMHXAPLGFHOT-MSOLQXFVSA-N -1 0 398.528 5.121 50 0 GKAARM O=C([O-])c1ccccc1CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000003281812 209419813 /nfs/dbraw/zinc/41/98/13/209419813.db2.gz HWLWXCBFISPPGR-UHFFFAOYSA-N -1 0 399.475 5.196 50 0 GKAARM Cc1ccc2nc(-c3ccc(-c4ccc(Cl)cc4Cl)o3)cc(C(=O)[O-])c2c1 ZINC000002670999 209376554 /nfs/dbraw/zinc/37/65/54/209376554.db2.gz AGMQKHKPAZULHJ-UHFFFAOYSA-N -1 0 398.245 6.475 50 0 GKAARM COc1cccc(-c2nc3ccccc3c(Oc3ccc(Cl)cc3)n2)c1[O-] ZINC000002395284 209361110 /nfs/dbraw/zinc/36/11/10/209361110.db2.gz JMILNMLSEIJOED-UHFFFAOYSA-N -1 0 378.815 5.457 50 0 GKAARM O=C([O-])c1ccccc1S[C@@H](CC(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000002159122 209349013 /nfs/dbraw/zinc/34/90/13/209349013.db2.gz UELFNFUKKKOLDT-NRFANRHFSA-N -1 0 396.895 6.145 50 0 GKAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccc3ccccc3c2)cc1 ZINC000000990679 209286104 /nfs/dbraw/zinc/28/61/04/209286104.db2.gz COWVJZMSQNLITM-YADHBBJMSA-N -1 0 389.451 5.462 50 0 GKAARM Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC[C@](C)(C(=O)[O-])C3(C)C)cc2)c1C ZINC000000629871 209251778 /nfs/dbraw/zinc/25/17/78/209251778.db2.gz DJSQHDSOHDWBAC-NTKDMRAZSA-N -1 0 395.499 5.561 50 0 GKAARM O=C([O-])CC/C(=C/c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1 ZINC000033498802 209243350 /nfs/dbraw/zinc/24/33/50/209243350.db2.gz NDZISIQKSMGZSK-XFXZXTDPSA-N -1 0 378.280 6.009 50 0 GKAARM CCCCc1cc(C)c2nc(-c3ccc(OC)c(OC)c3)cc(C(=O)[O-])c2c1 ZINC000002077904 212263102 /nfs/dbraw/zinc/26/31/02/212263102.db2.gz QDQCWCWBAMFZFP-UHFFFAOYSA-N -1 0 379.456 5.268 50 0 biogenic GKAARM CC(=O)Nc1ccc(/C=C(\CCCC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000036775101 209194403 /nfs/dbraw/zinc/19/44/03/209194403.db2.gz YVSLMLHXJWCRCJ-DTQAZKPQSA-N -1 0 380.469 5.050 50 0 GKAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccc3ccccc3c2)cc1 ZINC000000990676 212202800 /nfs/dbraw/zinc/20/28/00/212202800.db2.gz COWVJZMSQNLITM-FCHUYYIVSA-N -1 0 389.451 5.462 50 0 GKAARM COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2ccc(F)cc2)cc1O ZINC000018060175 212150218 /nfs/dbraw/zinc/15/02/18/212150218.db2.gz KVWGRIZTRZMKLN-UHFFFAOYSA-N -1 0 390.414 5.176 50 0 GKAARM CCCOc1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)c(OCCC)c1 ZINC000007783495 212102890 /nfs/dbraw/zinc/10/28/90/212102890.db2.gz QSGWAQKCSNWIIS-GHRIWEEISA-N -1 0 395.455 5.421 50 0 GKAARM O=C([O-])c1cnc(-c2ccccc2)nc1Sc1cccc(C(F)(F)F)c1 ZINC000001386399 203905080 /nfs/dbraw/zinc/90/50/80/203905080.db2.gz UKOICXQVYVTYLP-UHFFFAOYSA-N -1 0 376.359 5.012 50 0 GKAARM CCC(C)(C)[C@H]1CCc2c(sc3[n-]c(=S)n(Cc4ccccc4)c(=O)c23)C1 ZINC000003885795 204021756 /nfs/dbraw/zinc/02/17/56/204021756.db2.gz SWEFWJOLTXASBT-HNNXBMFYSA-N -1 0 398.597 5.710 50 0 GKAARM CC(C)=C1CC[C@H](C)[C@](C)(COc2ccc3ccc(=O)oc3c2)[C@H]1CCC(=O)[O-] ZINC000004042371 204025039 /nfs/dbraw/zinc/02/50/39/204025039.db2.gz CVWWNYPTZYQCSE-YFBXQHAESA-N -1 0 398.499 5.425 50 0 endogenous,in-man GKAARM Cc1c(C(=O)[O-])nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000004203926 204033221 /nfs/dbraw/zinc/03/32/21/204033221.db2.gz CYAYCOCJAVHQSD-UHFFFAOYSA-N -1 0 381.646 5.506 50 0 in-vitro GKAARM CCCCCCc1cc2c(cc1OCC(=O)[O-])oc(=O)cc2-c1ccccc1 ZINC000004247454 204034217 /nfs/dbraw/zinc/03/42/17/204034217.db2.gz HLGNZLASKJTZFQ-UHFFFAOYSA-N -1 0 380.440 5.046 50 0 GKAARM O=C([O-])c1cccc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1 ZINC000004821458 204079089 /nfs/dbraw/zinc/07/90/89/204079089.db2.gz HEGRSKYIGLUYRG-UHFFFAOYSA-N -1 0 399.475 5.196 50 0 GKAARM O=C([O-])c1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000004668778 204061687 /nfs/dbraw/zinc/06/16/87/204061687.db2.gz TZMUHEJOIYHPOX-UHFFFAOYSA-N -1 0 376.195 5.204 50 0 GKAARM O=c1cc(OCc2ccc(F)cc2F)cc2oc(-c3ccccc3)cc([O-])c1-2 ZINC000006139820 204166543 /nfs/dbraw/zinc/16/65/43/204166543.db2.gz OFJVOJUVNTXSNN-UHFFFAOYSA-N -1 0 380.346 5.023 50 0 biogenic GKAARM Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4CCCC[C@@H]4C(=O)[O-])cc3)sc2c1 ZINC000006860194 204216615 /nfs/dbraw/zinc/21/66/15/204216615.db2.gz GMEIESRUGGZCFX-IRXDYDNUSA-N -1 0 394.496 5.101 50 0 GKAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc3ccccc3c2)C1 ZINC000006429682 204178556 /nfs/dbraw/zinc/17/85/56/204178556.db2.gz GOFQWMKFACRZPT-XSFVSMFZSA-N -1 0 394.474 5.462 50 0 GKAARM O=c1c2ccc([O-])cc2oc(C(F)(F)F)c1-c1csc(-c2ccccc2)n1 ZINC000006454539 204178838 /nfs/dbraw/zinc/17/88/38/204178838.db2.gz CPKVSSZNKCBDRT-UHFFFAOYSA-N -1 0 389.354 5.308 50 0 GKAARM O=C([O-])C/C(=C\c1cc(Br)ccc1F)c1nc2ccccc2s1 ZINC000006599779 204186433 /nfs/dbraw/zinc/18/64/33/204186433.db2.gz UKNQTWPRFXOZQF-YRNVUSSQSA-N -1 0 392.249 5.213 50 0 GKAARM COc1cccc(NCc2cn(-c3ccc(C(=O)[O-])s3)c3ccccc23)c1 ZINC000009740874 204323194 /nfs/dbraw/zinc/32/31/94/204323194.db2.gz MZKAELYUSOJXHM-UHFFFAOYSA-N -1 0 378.453 5.011 50 0 GKAARM Cc1ccc(C)c(/C=C2\C[C@@H](C(C)(C)C)Cc3c(C(=O)[O-])c4ccccc4nc32)c1 ZINC000021486346 204756494 /nfs/dbraw/zinc/75/64/94/204756494.db2.gz XIQWQSJJCWYHJQ-UMSHPIDHSA-N -1 0 399.534 6.699 50 0 GKAARM Cc1cc([O-])c(C2=Nc3ccccc3N[C@@H](c3ccc(C(C)C)cc3)C2)c(=O)o1 ZINC000071782815 205029476 /nfs/dbraw/zinc/02/94/76/205029476.db2.gz FVCSRDLZRPYOMX-HXUWFJFHSA-N -1 0 388.467 5.455 50 0 GKAARM Cc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1C ZINC000064797287 205195138 /nfs/dbraw/zinc/19/51/38/205195138.db2.gz XHLVLPDNQDOWIL-MRXNPFEDSA-N -1 0 395.455 5.343 50 0 GKAARM Cc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)c1 ZINC000064795490 205195232 /nfs/dbraw/zinc/19/52/32/205195232.db2.gz MAMINYZOTLREQM-OAHLLOKOSA-N -1 0 397.883 5.549 50 0 GKAARM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nc(C(C)C)cs2)s1 ZINC000064769487 205195270 /nfs/dbraw/zinc/19/52/70/205195270.db2.gz RNOBOGQMXRCWEK-UHFFFAOYSA-N -1 0 396.534 5.243 50 0 GKAARM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nc(C(C)C)cs3)s2)c1 ZINC000064769497 205195803 /nfs/dbraw/zinc/19/58/03/205195803.db2.gz TZHIZMDLIMIABG-UHFFFAOYSA-N -1 0 378.544 5.104 50 0 GKAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)on1 ZINC000064845460 205197680 /nfs/dbraw/zinc/19/76/80/205197680.db2.gz LVWAEGYXYRHVDK-UHFFFAOYSA-N -1 0 396.921 5.091 50 0 GKAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(C)cc2C)c1C ZINC000064845792 205198233 /nfs/dbraw/zinc/19/82/33/205198233.db2.gz OWFLTQLWCGINGT-UHFFFAOYSA-N -1 0 390.530 5.054 50 0 GKAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cccc(C)c2C)c1C ZINC000064845724 205198283 /nfs/dbraw/zinc/19/82/83/205198283.db2.gz YLWYAXRJJZNYMF-UHFFFAOYSA-N -1 0 390.530 5.054 50 0 GKAARM O=C([O-])CC1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCCCC1 ZINC000072481785 205354596 /nfs/dbraw/zinc/35/45/96/205354596.db2.gz FODYFXSUGYBIMD-UHFFFAOYSA-N -1 0 393.483 5.093 50 0 GKAARM CC[C@]1(CCCCCCCCCCCCCCC(=O)[O-])OCC(C)(C)N1O ZINC000100028476 205603351 /nfs/dbraw/zinc/60/33/51/205603351.db2.gz RPAZYIOIDZRJOO-JOCHJYFZSA-N -1 0 384.581 6.095 50 0 in-vitro GKAARM O=C([O-])C/C(=C/c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2o1 ZINC000022025284 205940475 /nfs/dbraw/zinc/94/04/75/205940475.db2.gz IAYKMGODTDHNQO-RGEXLXHISA-N -1 0 385.419 5.422 50 0 GKAARM O=C([O-])c1cccc(Nc2nc3cc(Cl)ccc3c(-c3ccccc3)n2)c1 ZINC000225516313 206052846 /nfs/dbraw/zinc/05/28/46/206052846.db2.gz MQRLUGNFMQANPM-UHFFFAOYSA-N -1 0 375.815 5.392 50 0 GKAARM COc1cc(/C=C/C(=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000011994641 206225999 /nfs/dbraw/zinc/22/59/99/206225999.db2.gz VAESSKPNJWAXRC-GORDUTHDSA-N -1 0 387.646 5.332 50 0 GKAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1ccccc1Br ZINC000002391983 211515192 /nfs/dbraw/zinc/51/51/92/211515192.db2.gz ZQLJZBRTFQLTGR-UHFFFAOYSA-N -1 0 396.240 5.067 50 0 GKAARM CCOc1ccc(/C=C(/CCC(=O)[O-])c2nc3ccccc3s2)cc1OC ZINC000033530769 206302911 /nfs/dbraw/zinc/30/29/11/206302911.db2.gz MTPZCEBMKNCTTK-QINSGFPZSA-N -1 0 383.469 5.109 50 0 GKAARM Cc1sc(Nc2ccc(C(=O)[O-])cc2)nc1-c1ccc(Br)cc1 ZINC000000845831 206326253 /nfs/dbraw/zinc/32/62/53/206326253.db2.gz XQBDVBODQQPSJY-UHFFFAOYSA-N -1 0 389.274 5.323 50 0 GKAARM C[C@H]1CCc2oc3c(cc([N-]S(=O)(=O)c4cccs4)c4ccccc34)c2C1 ZINC000000944470 206335665 /nfs/dbraw/zinc/33/56/65/206335665.db2.gz ZSJWQYLKXQJCRX-ZDUSSCGKSA-N -1 0 397.521 5.573 50 0 GKAARM C[C@@H]1CCc2oc3c(cc([N-]S(=O)(=O)c4cccs4)c4ccccc34)c2C1 ZINC000000944471 206336068 /nfs/dbraw/zinc/33/60/68/206336068.db2.gz ZSJWQYLKXQJCRX-CYBMUJFWSA-N -1 0 397.521 5.573 50 0 GKAARM O=S(=O)([N-]c1ccc2c3c(cccc31)CC2)c1cc(Cl)ccc1Cl ZINC000001112387 206353764 /nfs/dbraw/zinc/35/37/64/206353764.db2.gz NEKXCOKEFMMNRZ-UHFFFAOYSA-N -1 0 378.280 5.046 50 0 GKAARM O=S(=O)([N-]c1cccc2ccccc21)c1cc(Cl)c(Cl)cc1Cl ZINC000001121715 206354699 /nfs/dbraw/zinc/35/46/99/206354699.db2.gz AKMSZQYFDGIFSI-UHFFFAOYSA-N -1 0 386.687 5.601 50 0 GKAARM CC(=O)C(=C([O-])c1ccc(F)cc1)[C@H]1c2ccccc2Oc2ccc(F)cc21 ZINC000001156087 206360776 /nfs/dbraw/zinc/36/07/76/206360776.db2.gz GFWZLBUJKQZGSQ-VXKWHMMOSA-N -1 0 378.374 5.291 50 0 GKAARM [O-]c1ccc(Cl)cc1C1=Nc2ccccc2N=C(c2ccc(Cl)cc2)C1 ZINC000001246811 206370512 /nfs/dbraw/zinc/37/05/12/206370512.db2.gz HRRSDXCYPVKRRF-UHFFFAOYSA-N -1 0 381.262 6.344 50 0 GKAARM Cc1ccc2nc(-c3ccc(-c4cccc(Cl)c4Cl)o3)cc(C(=O)[O-])c2c1 ZINC000001789988 206392390 /nfs/dbraw/zinc/39/23/90/206392390.db2.gz KCNBABBWZMMDRJ-UHFFFAOYSA-N -1 0 398.245 6.475 50 0 GKAARM O=C([O-])c1ccccc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000004993727 206581060 /nfs/dbraw/zinc/58/10/60/206581060.db2.gz HGIZSKVQGLJTPK-UHFFFAOYSA-N -1 0 376.195 5.204 50 0 GKAARM CCOc1c(Cl)cc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)cc1OC ZINC000096791967 211347674 /nfs/dbraw/zinc/34/76/74/211347674.db2.gz ZXKYSDJOPLULMA-HJWRWDBZSA-N -1 0 383.831 5.164 50 0 GKAARM CCSc1nc2ccc([N-]S(=O)(=O)c3c(C)cccc3Cl)cc2s1 ZINC000096399584 211342199 /nfs/dbraw/zinc/34/21/99/211342199.db2.gz OEZJIAJGBXCVTC-UHFFFAOYSA-N -1 0 398.962 5.171 50 0 GKAARM CCCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)[O-])cc1)c1ccccc1 ZINC000013986398 207006861 /nfs/dbraw/zinc/00/68/61/207006861.db2.gz IUJTVDNJFPZYBL-UHFFFAOYSA-N -1 0 387.479 5.775 50 0 in-vitro GKAARM O=c1c2cc(-c3ccccc3)sc2[n-]c(=S)n1Cc1ccccc1Cl ZINC000017078634 207083465 /nfs/dbraw/zinc/08/34/65/207083465.db2.gz VTTIZGDVXSYAAQ-UHFFFAOYSA-N -1 0 384.913 5.489 50 0 GKAARM O=C([O-])C/C(=C/c1ccc(Br)s1)c1nc2ccccc2s1 ZINC000023163053 207271209 /nfs/dbraw/zinc/27/12/09/207271209.db2.gz QSIIQOVUDDZEMM-CLFYSBASSA-N -1 0 380.288 5.136 50 0 GKAARM O=C([O-])C[C@H]1CCn2c3cc(F)ccc3c(Sc3ccc(Cl)cc3)c21 ZINC000029055291 207355609 /nfs/dbraw/zinc/35/56/09/207355609.db2.gz GSBAVONRPNJJOH-LLVKDONJSA-N -1 0 375.852 5.547 50 0 in-vitro GKAARM COc1ccc2c(c1)nc(S[C@H](C(=O)[O-])c1ccccc1)cc2C(F)(F)F ZINC000030822767 207376486 /nfs/dbraw/zinc/37/64/86/207376486.db2.gz JIDXBGZVDHVDQM-KRWDZBQOSA-N -1 0 393.386 5.180 50 0 GKAARM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000101453316 208393825 /nfs/dbraw/zinc/39/38/25/208393825.db2.gz NBAJKPYUEOYRKT-BVSLBCMMSA-N -1 0 375.855 5.509 50 0 GKAARM Cc1nc2c(ccc3nc([N-]c4nc5c(cc(F)cc5F)s4)sc32)s1 ZINC000004137805 208538771 /nfs/dbraw/zinc/53/87/71/208538771.db2.gz FODIREXOBUWZNN-UHFFFAOYSA-N -1 0 390.465 5.846 50 0 GKAARM COc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3)c2C(=O)[O-])cc1 ZINC000002281631 220518541 /nfs/dbraw/zinc/51/85/41/220518541.db2.gz MXDZPCOLVOEMGA-UHFFFAOYSA-N -1 0 387.844 5.028 50 0 GKAARM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000229964817 209004303 /nfs/dbraw/zinc/00/43/03/209004303.db2.gz NBAJKPYUEOYRKT-HJNYFJLDSA-N -1 0 375.855 5.509 50 0 GKAARM CC(C)(C)c1ccc(C(=O)Nc2scc(-c3ccc(F)cc3)c2C(=O)[O-])cc1 ZINC000002890615 220581293 /nfs/dbraw/zinc/58/12/93/220581293.db2.gz BVQQPDGJUHTQAG-UHFFFAOYSA-N -1 0 397.471 5.802 50 0 GKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253537594 209043263 /nfs/dbraw/zinc/04/32/63/209043263.db2.gz SMEROWZSTRWXGI-WYBHBDPUSA-N -1 0 376.581 5.507 50 0 GKAARM O=C([O-])c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000011953522 221140152 /nfs/dbraw/zinc/14/01/52/221140152.db2.gz AQSNYZANMRDLGJ-UHFFFAOYSA-N -1 0 376.033 5.033 50 0 GKAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@H]2c1cccc(Cl)c1 ZINC000012376931 221186560 /nfs/dbraw/zinc/18/65/60/221186560.db2.gz GIWNPRJYKWGNTR-CQSZACIVSA-N -1 0 383.856 5.241 50 0 GKAARM [O-]c1ccccc1-c1nc2ccccc2c(Nc2cccc(C(F)(F)F)c2)n1 ZINC000017139121 221379911 /nfs/dbraw/zinc/37/99/11/221379911.db2.gz VOWFXPLWGSIPCJ-UHFFFAOYSA-N -1 0 381.357 5.765 50 0 GKAARM C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)[O-] ZINC000039206613 221887981 /nfs/dbraw/zinc/88/79/81/221887981.db2.gz BQOYUBWEBGKHDA-ZYFHOJDISA-N -1 0 376.537 5.196 50 0 GKAARM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004018 222093677 /nfs/dbraw/zinc/09/36/77/222093677.db2.gz LBCWZXALWYEKNA-UHFFFAOYSA-N -1 0 394.905 5.043 50 0 GKAARM Cc1ccc(-c2c(C(=O)[O-])sc3c2NC(=O)C[C@@H]3c2ccccc2Cl)cc1 ZINC000064796209 222082321 /nfs/dbraw/zinc/08/23/21/222082321.db2.gz DSZQWKMMRGSFIL-CQSZACIVSA-N -1 0 397.883 5.549 50 0 GKAARM Cc1ccc(-c2c(C(=O)[O-])sc3c2NC(=O)C[C@H]3c2ccc(F)cc2F)cc1 ZINC000064796146 222082399 /nfs/dbraw/zinc/08/23/99/222082399.db2.gz JFEWOIBPXXLQFN-AWEZNQCLSA-N -1 0 399.418 5.174 50 0 GKAARM CCCc1ccccc1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000095951311 222364397 /nfs/dbraw/zinc/36/43/97/222364397.db2.gz INZAMAZVWGBDDO-UHFFFAOYSA-N -1 0 378.708 5.400 50 0 GKAARM O=C([O-])c1ccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000000940566 560179999 /nfs/dbraw/zinc/17/99/99/560179999.db2.gz MWUQSPQEKVVGDL-UHFFFAOYSA-N -1 0 375.815 5.392 50 0 biogenic,in-vitro GKAARM Cc1csc(NC(=O)c2ccccc2C(=O)[O-])c1-c1nc2ccccc2s1 ZINC000001032596 570236253 /nfs/dbraw/zinc/23/62/53/570236253.db2.gz AHRQAUPUDQWMOE-UHFFFAOYSA-N -1 0 394.477 5.284 50 0 GKAARM CCCc1ccc(S(=O)(=O)[N-]c2cccnc2Sc2ccc(C)cc2)cc1 ZINC000001043449 570237902 /nfs/dbraw/zinc/23/79/02/570237902.db2.gz RQSXKKATTOKTBX-UHFFFAOYSA-N -1 0 398.553 5.295 50 0 GKAARM COc1cc2ccccc2cc1C(=O)Nc1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000020139158 570242293 /nfs/dbraw/zinc/24/22/93/570242293.db2.gz NCKWTCWCIXMRIT-UHFFFAOYSA-N -1 0 390.222 5.106 50 0 GKAARM Cc1[n-]n2c(nc(CSc3ccc(C)cc3)cc2=O)c1-c1cccc(Cl)c1 ZINC000100071915 570258526 /nfs/dbraw/zinc/25/85/26/570258526.db2.gz HRRCLORIQFDPJR-UHFFFAOYSA-N -1 0 395.915 5.252 50 0 GKAARM Cc1cc(-c2c(C)[n-]n(-c3ccc(Cl)cc3)c2=O)n(-c2ccc(Cl)cc2)n1 ZINC000100334457 570271252 /nfs/dbraw/zinc/27/12/52/570271252.db2.gz HUHCPQJSXDMLKH-UHFFFAOYSA-N -1 0 399.281 5.354 50 0 GKAARM O=C(C=C([O-])c1ccccc1)[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000101515341 570283848 /nfs/dbraw/zinc/28/38/48/570283848.db2.gz FSQWXBNXGNTTNK-JOCHJYFZSA-N -1 0 376.839 5.149 50 0 GKAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(SC)cc2)C1 ZINC000006788382 570284005 /nfs/dbraw/zinc/28/40/05/570284005.db2.gz XAURXUWWDWVQHT-FOWTUZBSSA-N -1 0 390.508 5.031 50 0 GKAARM O=C(C(=C([O-])c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2)C(F)(F)F ZINC000100105025 570289503 /nfs/dbraw/zinc/28/95/03/570289503.db2.gz FWWZAPUFXXVPCO-RTLPCREESA-N -1 0 384.825 5.487 50 0 GKAARM O=c1c2c(-c3ccccc3Cl)csc2[n-]c(=S)n1Cc1ccccc1 ZINC000002654176 570292957 /nfs/dbraw/zinc/29/29/57/570292957.db2.gz IPSBQKPPFFKPOB-UHFFFAOYSA-N -1 0 384.913 5.489 50 0 GKAARM CCc1ccc(/C=C/c2cc(C(=O)[O-])c3cc(Br)ccc3n2)cc1 ZINC000021965781 570300430 /nfs/dbraw/zinc/30/04/30/570300430.db2.gz XINMJXBWMGGONL-VQHVLOKHSA-N -1 0 382.257 5.428 50 0 GKAARM Cc1ccc(C)c(-c2cc(C(=O)Nc3cccc(C(=O)[O-])c3)c3ccccc3n2)c1 ZINC000002867683 570313178 /nfs/dbraw/zinc/31/31/78/570313178.db2.gz JLFBJGVCTHLZTI-UHFFFAOYSA-N -1 0 396.446 5.469 50 0 GKAARM CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1c(F)cccc1F ZINC000023334034 570321212 /nfs/dbraw/zinc/32/12/12/570321212.db2.gz XUMWWGIYVGMOMC-UHFFFAOYSA-N -1 0 387.407 5.122 50 0 GKAARM COc1ccc(-c2ccc3nc(-c4cccc(F)c4[O-])oc3c2)c(OC)c1OC ZINC000023452957 570324802 /nfs/dbraw/zinc/32/48/02/570324802.db2.gz WYINURCLGJUMEF-UHFFFAOYSA-N -1 0 395.386 5.032 50 0 GKAARM Cn1cc([C@H](CC(=O)c2ccc(C3CCCCC3)cc2)C(=O)[O-])c2ccccc21 ZINC000003107942 570328727 /nfs/dbraw/zinc/32/87/27/570328727.db2.gz DMSMXAUCEQPFBK-NRFANRHFSA-N -1 0 389.495 5.667 50 0 GKAARM O=C([O-])c1ccccc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000005771774 570340989 /nfs/dbraw/zinc/34/09/89/570340989.db2.gz GPHVGCXQAUVHGW-UHFFFAOYSA-N -1 0 397.883 5.583 50 0 GKAARM COc1cccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)[O-])c1OC ZINC000003886077 570353398 /nfs/dbraw/zinc/35/33/98/570353398.db2.gz FBYDLGAYDZRFSK-BXWAGETQSA-N -1 0 389.451 5.073 50 0 GKAARM O=c1c2c(-c3ccccc3Cl)csc2[n-]c(=S)n1CCc1ccccc1 ZINC000003887254 570353435 /nfs/dbraw/zinc/35/34/35/570353435.db2.gz OMRPJLXGSLZCJN-UHFFFAOYSA-N -1 0 398.940 5.310 50 0 GKAARM O=C([O-])c1c2ccccc2nc(-c2ccc(Cl)cc2)c1Oc1ccccc1 ZINC000004091479 570357001 /nfs/dbraw/zinc/35/70/01/570357001.db2.gz KXDLONRVUIVBNE-UHFFFAOYSA-N -1 0 375.811 6.046 50 0 GKAARM CCc1ccc(-c2nc3ccc(Br)cc3c(C(=O)[O-])c2C)s1 ZINC000004180262 570361586 /nfs/dbraw/zinc/36/15/86/570361586.db2.gz NNZWCNMLHBFTKG-UHFFFAOYSA-N -1 0 376.275 5.295 50 0 GKAARM O=C([O-])c1ccccc1S[C@H](CC(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000004371396 570371884 /nfs/dbraw/zinc/37/18/84/570371884.db2.gz VNNKXHKPVNCETH-OAQYLSRUSA-N -1 0 398.430 5.769 50 0 GKAARM Cc1c(C(=O)[O-])cc(C(C)(C)C)n1CCSCc1c(F)cccc1Cl ZINC000004390752 570373405 /nfs/dbraw/zinc/37/34/05/570373405.db2.gz FJXSHSRHDYBHFQ-UHFFFAOYSA-N -1 0 383.916 5.518 50 0 GKAARM Cc1ccc(-c2onc3ccc(-c4cc(C(=O)[O-])c5cc(C)ccc5n4)cc32)cc1 ZINC000005014226 570396475 /nfs/dbraw/zinc/39/64/75/570396475.db2.gz UICJOSRMANDMSK-UHFFFAOYSA-N -1 0 394.430 6.025 50 0 GKAARM CCc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C(C)C)cs3)cs2)cc1 ZINC000033297713 570405217 /nfs/dbraw/zinc/40/52/17/570405217.db2.gz LWONJDCQJOJNLA-UHFFFAOYSA-N -1 0 392.571 5.358 50 0 GKAARM CSc1ccc2nc([N-]c3nc4ccc(NC(C)=O)cc4s3)sc2c1 ZINC000005122740 570420809 /nfs/dbraw/zinc/42/08/09/570420809.db2.gz JNYNHWYMKMVKMY-UHFFFAOYSA-N -1 0 386.527 5.330 50 0 GKAARM Cc1ccc([C@H]2c3c(n[nH]c3-c3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 ZINC000005728610 570453530 /nfs/dbraw/zinc/45/35/30/570453530.db2.gz JOROQOOBUBBEQT-QHCPKHFHSA-N -1 0 399.881 5.788 50 0 GKAARM O=C([O-])CC/C(=C\c1ccc(OC(F)F)cc1)c1nc2ccccc2s1 ZINC000006429721 570479881 /nfs/dbraw/zinc/47/98/81/570479881.db2.gz BDQJTKUCTUNOHB-ACCUITESSA-N -1 0 375.396 5.303 50 0 GKAARM Cc1noc(C)c1NC(=O)c1oc2ccccc2c1CSC1CCCCC1 ZINC000089532504 570491360 /nfs/dbraw/zinc/49/13/60/570491360.db2.gz KFTBCDCCTRJLCJ-UHFFFAOYSA-N -1 0 384.501 5.856 50 0 GKAARM COc1ccc2c(c1)nc(S[C@@H](C(=O)[O-])c1ccccc1)cc2C(F)(F)F ZINC000030822766 570496853 /nfs/dbraw/zinc/49/68/53/570496853.db2.gz JIDXBGZVDHVDQM-QGZVFWFLSA-N -1 0 393.386 5.180 50 0 GKAARM Cc1ccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])ccc3C)c3ccccc3n2)cc1 ZINC000002761664 570512085 /nfs/dbraw/zinc/51/20/85/570512085.db2.gz WKYFCIGWIQNRQD-UHFFFAOYSA-N -1 0 396.446 5.469 50 0 GKAARM Cc1sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])nc1-c1cc(C)ccc1C ZINC000002743943 570513014 /nfs/dbraw/zinc/51/30/14/570513014.db2.gz KMYUZYSMWREZBT-MSOLQXFVSA-N -1 0 398.528 5.121 50 0 GKAARM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N(CC(C)C)CC(C)C)cc1 ZINC000064820302 570555250 /nfs/dbraw/zinc/55/52/50/570555250.db2.gz RWHJFRDVCAXNRG-UHFFFAOYSA-N -1 0 382.504 5.064 50 0 GKAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cccc(Cl)c2C)on1 ZINC000064845457 570564947 /nfs/dbraw/zinc/56/49/47/570564947.db2.gz ZYYNGRXSOKLYKK-UHFFFAOYSA-N -1 0 396.921 5.091 50 0 GKAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(Cl)cc2C)on1 ZINC000064845345 570565189 /nfs/dbraw/zinc/56/51/89/570565189.db2.gz URXFRHCLXJCNQG-UHFFFAOYSA-N -1 0 396.921 5.091 50 0 GKAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1C ZINC000064845807 570565465 /nfs/dbraw/zinc/56/54/65/570565465.db2.gz YTHKAGROAXWWCL-UHFFFAOYSA-N -1 0 390.530 5.054 50 0 GKAARM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)c1 ZINC000065004368 570644668 /nfs/dbraw/zinc/64/46/68/570644668.db2.gz OKCJVUOKGHFNNM-UHFFFAOYSA-N -1 0 388.514 5.088 50 0 GKAARM CCOc1cccc(Oc2nc(-c3cccc(OC)c3[O-])nc3ccccc32)c1 ZINC000005576654 570659452 /nfs/dbraw/zinc/65/94/52/570659452.db2.gz UJHUKFVJYWYTLI-UHFFFAOYSA-N -1 0 388.423 5.202 50 0 GKAARM CC[C@@](C)(c1ccccc1)[C@@H](OC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000003136887 570680784 /nfs/dbraw/zinc/68/07/84/570680784.db2.gz KUZKJQKIQSRWRK-DHLKQENFSA-N -1 0 388.463 5.651 50 0 GKAARM Cc1ccc2nc(-c3ccc(-c4ccc(C)c(Cl)c4)o3)cc(C(=O)[O-])c2c1 ZINC000000934726 570727262 /nfs/dbraw/zinc/72/72/62/570727262.db2.gz TVMUOWMOWOKFIX-UHFFFAOYSA-N -1 0 377.827 6.130 50 0 GKAARM O=C([O-])c1cc(-c2ccc(-c3cccc4ccccc43)o2)nc2ccc(Cl)cc21 ZINC000000952557 570737499 /nfs/dbraw/zinc/73/74/99/570737499.db2.gz NYSFKTDCXRWUKQ-UHFFFAOYSA-N -1 0 399.833 6.667 50 0 GKAARM Cc1cc(Nc2ccccc2C(=O)[O-])nc(SCc2ccccc2Cl)n1 ZINC000000976974 570742023 /nfs/dbraw/zinc/74/20/23/570742023.db2.gz XSRCWRLOGFTZSM-UHFFFAOYSA-N -1 0 385.876 5.173 50 0 GKAARM CCn1c2ccccc2c2cc(NC(=O)C[C@@H](C(=O)[O-])c3ccccc3)ccc21 ZINC000013253446 570751487 /nfs/dbraw/zinc/75/14/87/570751487.db2.gz GGIDBIDQEDNMBJ-LJQANCHMSA-N -1 0 386.451 5.011 50 0 GKAARM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004706 570757683 /nfs/dbraw/zinc/75/76/83/570757683.db2.gz MGCQVILSZPQOGM-UHFFFAOYSA-N -1 0 388.514 5.170 50 0 GKAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(C(C)C)cc2)C1 ZINC000097993216 570775440 /nfs/dbraw/zinc/77/54/40/570775440.db2.gz RUIANJMLZWVXPL-UYRXBGFRSA-N -1 0 386.495 5.433 50 0 GKAARM COc1cccc(C([O-])=C(C(C)=O)[C@@H]2c3ccccc3Oc3ccc(F)cc32)c1 ZINC000100942960 570781537 /nfs/dbraw/zinc/78/15/37/570781537.db2.gz YZIXUZWWQQBTQZ-XZOQPEGZSA-N -1 0 390.410 5.160 50 0 GKAARM CC(C)c1ccc(-c2csc(NC(=O)/C=C\c3cccs3)c2C(=O)[O-])cc1 ZINC000005840858 570796665 /nfs/dbraw/zinc/79/66/65/570796665.db2.gz NUBTZHGLDVEDHX-KTKRTIGZSA-N -1 0 397.521 5.950 50 0 GKAARM Cc1sc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])nc1-c1ccc(C)cc1C ZINC000004651950 570806717 /nfs/dbraw/zinc/80/67/17/570806717.db2.gz IAJMHXAPLGFHOT-ZWKOTPCHSA-N -1 0 398.528 5.121 50 0 GKAARM Cc1sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])nc1-c1ccc(C)cc1C ZINC000004651948 570806769 /nfs/dbraw/zinc/80/67/69/570806769.db2.gz IAJMHXAPLGFHOT-QZTJIDSGSA-N -1 0 398.528 5.121 50 0 GKAARM O=S(=O)([N-]c1ccccc1-c1ccc2ccccc2n1)c1cccc(Cl)c1 ZINC000033113749 570812433 /nfs/dbraw/zinc/81/24/33/570812433.db2.gz NJYSURQEYWQYQM-UHFFFAOYSA-N -1 0 394.883 5.356 50 0 GKAARM O=C([O-])C[C@@H](NC(=O)c1sc2ccccc2c1Cl)c1cccc(Cl)c1 ZINC000004686719 570831061 /nfs/dbraw/zinc/83/10/61/570831061.db2.gz NAPIXIIIRNHHKB-CYBMUJFWSA-N -1 0 394.279 5.154 50 0 GKAARM CC(C)(C)c1ccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)cc1 ZINC000002088385 570834295 /nfs/dbraw/zinc/83/42/95/570834295.db2.gz BYJGZAAZXXCCSO-UHFFFAOYSA-N -1 0 384.273 5.660 50 0 GKAARM Cc1cc(-c2nc3ccccc3s2)ccc1[N-]S(=O)(=O)c1ccccc1F ZINC000033169127 570834499 /nfs/dbraw/zinc/83/44/99/570834499.db2.gz VSEHVWJVLJQBOR-UHFFFAOYSA-N -1 0 398.484 5.212 50 0 GKAARM CC(=O)Nc1ccc(/C=C(/CCCC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000065589006 570837256 /nfs/dbraw/zinc/83/72/56/570837256.db2.gz YVSLMLHXJWCRCJ-SSZFMOIBSA-N -1 0 380.469 5.050 50 0 GKAARM CSc1cccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)sc2C)c1 ZINC000033169451 570838281 /nfs/dbraw/zinc/83/82/81/570838281.db2.gz LEYBOBRDNWSLPZ-UHFFFAOYSA-N -1 0 396.584 5.011 50 0 GKAARM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1 ZINC000014257146 570839443 /nfs/dbraw/zinc/83/94/43/570839443.db2.gz OPXLCGCJFCENQF-UHFFFAOYSA-N -1 0 381.497 5.478 50 0 GKAARM O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(Cl)cc1 ZINC000102679802 570858171 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CC(C)(C)[C@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cccs2)C1 ZINC000019229875 570965179 /nfs/dbraw/zinc/96/51/79/570965179.db2.gz MXAVFUOLNGHXQN-OKFGHLOFSA-N -1 0 377.509 6.144 50 0 GKAARM CSc1ccccc1[N-]S(=O)(=O)c1cc(-c2csc(C)n2)sc1C ZINC000033308427 570968096 /nfs/dbraw/zinc/96/80/96/570968096.db2.gz LZIKXAJNHYTCII-UHFFFAOYSA-N -1 0 396.584 5.011 50 0 GKAARM O=c1c2c3c(sc2[n-]c(=S)n1CC1CCCCC1)-c1ccccc1CC3 ZINC000004811518 570998741 /nfs/dbraw/zinc/99/87/41/570998741.db2.gz OJRPXAQWRMAIRG-UHFFFAOYSA-N -1 0 382.554 5.466 50 0 GKAARM Cc1[n-]n2c(nc(CSc3ccc(Cl)cc3)cc2=O)c1-c1ccccc1 ZINC000018222723 210218488 /nfs/dbraw/zinc/21/84/88/210218488.db2.gz QOJWWRQIHVXHHL-UHFFFAOYSA-N -1 0 381.888 5.356 50 0 GKAARM Cc1[n-]n2c(nc(CSc3ccc(C)cc3)cc2=O)c1-c1ccc(Cl)cc1 ZINC000018222730 210218519 /nfs/dbraw/zinc/21/85/19/210218519.db2.gz JLOPFSIMHMGVFJ-UHFFFAOYSA-N -1 0 395.915 5.664 50 0 GKAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@H]2c1ccc(Cl)cc1 ZINC000015081450 210151854 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205322891 /nfs/dbraw/zinc/32/28/91/205322891.db2.gz LEWFKEXTWOTLIQ-VBKFSLOCSA-N -1 0 390.464 5.665 50 0 GKAARM CCCCCC[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000072481812 205355023 /nfs/dbraw/zinc/35/50/23/205355023.db2.gz QUVRSYCVENJXLC-KRWDZBQOSA-N -1 0 395.499 5.339 50 0 GKAARM CCCCCC[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000072481813 205355883 /nfs/dbraw/zinc/35/58/83/205355883.db2.gz QUVRSYCVENJXLC-QGZVFWFLSA-N -1 0 395.499 5.339 50 0 GKAARM O=C([O-])C[C@](O)(c1ccccc1)c1ccccc1Sc1ccc(Cl)cc1 ZINC000095918195 205504508 /nfs/dbraw/zinc/50/45/08/205504508.db2.gz UQWMTROGNOVSJT-NRFANRHFSA-N -1 0 384.884 5.202 50 0 GKAARM O=C([O-])CC/C(=C/c1ccc(OC(F)F)cc1)c1nc2ccccc2s1 ZINC000033472015 206099147 /nfs/dbraw/zinc/09/91/47/206099147.db2.gz BDQJTKUCTUNOHB-QBFSEMIESA-N -1 0 375.396 5.303 50 0 GKAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc3ccccc3c2)C1 ZINC000097993222 206125456 /nfs/dbraw/zinc/12/54/56/206125456.db2.gz GOFQWMKFACRZPT-ZHZULCJRSA-N -1 0 394.474 5.462 50 0 GKAARM O=C([O-])c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccc(Br)cc21 ZINC000000999570 206259847 /nfs/dbraw/zinc/25/98/47/206259847.db2.gz WFZKVEGQXDACGM-UHFFFAOYSA-N -1 0 397.055 5.669 50 0 GKAARM Cc1ccccc1NC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] ZINC000000640940 206248000 /nfs/dbraw/zinc/24/80/00/206248000.db2.gz VJUHNODPUFHCJM-UHFFFAOYSA-N -1 0 393.053 5.559 50 0 GKAARM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1ccccc1 ZINC000000640919 206249004 /nfs/dbraw/zinc/24/90/04/206249004.db2.gz NMTBHMKWCSWMOC-UHFFFAOYSA-N -1 0 379.026 5.251 50 0 GKAARM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C/c1ccccc1C(F)(F)F ZINC000033491557 206303065 /nfs/dbraw/zinc/30/30/65/206303065.db2.gz RKAZXIJHTCYGGL-OWBHPGMISA-N -1 0 383.369 5.829 50 0 GKAARM O=c1c2c(-c3ccc(Cl)cc3)csc2[n-]c(=S)n1Cc1ccccc1 ZINC000000723936 206319757 /nfs/dbraw/zinc/31/97/57/206319757.db2.gz ILKYRSSTSHMXTC-UHFFFAOYSA-N -1 0 384.913 5.489 50 0 GKAARM CC(C)c1ccc(-c2ccc(-c3cc(C(=O)[O-])c4cc(Cl)ccc4n3)o2)cc1 ZINC000000934731 206334474 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GKAARM CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC000072414309 211115917 /nfs/dbraw/zinc/11/59/17/211115917.db2.gz CXIUBMZQUZKNGW-UHFFFAOYSA-N -1 0 398.528 5.256 50 0 GKAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)n(Cc2ccc(Cl)cc2Cl)n1 ZINC000067175667 211003861 /nfs/dbraw/zinc/00/38/61/211003861.db2.gz OQQIVTTVYFVGQR-UHFFFAOYSA-N -1 0 381.646 5.257 50 0 GKAARM CCc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)cc1 ZINC000064795903 210947656 /nfs/dbraw/zinc/94/76/56/210947656.db2.gz FMQKGYQLDIPQBO-KRWDZBQOSA-N -1 0 391.492 5.458 50 0 GKAARM Cc1ccc(-c2c(C(=O)[O-])sc3c2NC(=O)C[C@H]3c2ccc(Cl)cc2)cc1 ZINC000064796221 210947517 /nfs/dbraw/zinc/94/75/17/210947517.db2.gz QRERBJRYBKVFBB-HNNXBMFYSA-N -1 0 397.883 5.549 50 0 GKAARM COc1cc(/C=C/C(=O)[O-])c(Cl)cc1OCc1ccc(Cl)cc1Cl ZINC000012394616 206892866 /nfs/dbraw/zinc/89/28/66/206892866.db2.gz OMVFRPDMPKNDCX-HWKANZROSA-N -1 0 387.646 5.332 50 0 GKAARM CC(C)(C)[C@@H]1CCc2c(sc3c2[C@@H](c2ccc(C(=O)[O-])cc2)CC(=O)N3)C1 ZINC000015107621 207048630 /nfs/dbraw/zinc/04/86/30/207048630.db2.gz TUFXWLVRQXFKOB-GDBMZVCRSA-N -1 0 383.513 5.071 50 0 GKAARM CC(C)(C)[C@@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cccs2)C1 ZINC000019229877 207109989 /nfs/dbraw/zinc/10/99/89/207109989.db2.gz MXAVFUOLNGHXQN-ZQHYZAEZSA-N -1 0 377.509 6.144 50 0 GKAARM COc1ccc(-c2[nH]nc3nc(-c4ccc(C(C)C)cc4)cc(C(=O)[O-])c32)cc1 ZINC000020492239 207198733 /nfs/dbraw/zinc/19/87/33/207198733.db2.gz HAFCJLXKGKSUII-UHFFFAOYSA-N -1 0 387.439 5.122 50 0 GKAARM CCCCCOc1ccc(COc2ccc(CC(=O)[O-])cc2Cl)cc1Cl ZINC000043190865 207630885 /nfs/dbraw/zinc/63/08/85/207630885.db2.gz UHXWUWAQBIKGKE-UHFFFAOYSA-N -1 0 397.298 5.769 50 0 GKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@H]2c1ccccc1 ZINC000064795473 207811408 /nfs/dbraw/zinc/81/14/08/207811408.db2.gz ZHPYIVCLLBOXKR-AWEZNQCLSA-N -1 0 383.856 5.241 50 0 GKAARM Cc1ccccc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(F)cc1 ZINC000064796265 207812161 /nfs/dbraw/zinc/81/21/61/207812161.db2.gz MDUBHMKVWUOKEN-OAHLLOKOSA-N -1 0 381.428 5.035 50 0 GKAARM [O-]c1c(Cl)cc(Cl)cc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000016491950 208149957 /nfs/dbraw/zinc/14/99/57/208149957.db2.gz LAVBYSAPHIGEFC-UHFFFAOYSA-N -1 0 381.262 6.423 50 0 GKAARM O=[P@]([O-])(CCc1ccccc1)[C@H](NCc1ccccc1)c1ccc(Cl)cc1 ZINC000020567138 210348754 /nfs/dbraw/zinc/34/87/54/210348754.db2.gz CFXIGCDFXFTROA-QFIPXVFZSA-N -1 0 399.858 5.642 50 0 GKAARM CCCOc1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3o2)c(OCCC)c1 ZINC000097996760 209018663 /nfs/dbraw/zinc/01/86/63/209018663.db2.gz QSGWAQKCSNWIIS-LGMDPLHJSA-N -1 0 395.455 5.421 50 0 GKAARM CC(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)c1ccc(C)cc1)=C\C(=O)[O-] ZINC000013815417 221290437 /nfs/dbraw/zinc/29/04/37/221290437.db2.gz RQANARBNMTXCDM-DKOHIBGUSA-N -1 0 376.540 7.048 50 0 in-vitro GKAARM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC[C@](C)(CCC(=O)[O-])[C@H]3CC[C@]21C ZINC000257350375 209080518 /nfs/dbraw/zinc/08/05/18/209080518.db2.gz WWVQLMQJZZQLPX-NZEFYGETSA-N -1 0 390.652 7.563 50 0 GKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257358257 209081233 /nfs/dbraw/zinc/08/12/33/209081233.db2.gz SMEROWZSTRWXGI-UGVZVSGPSA-N -1 0 376.581 5.507 50 0 GKAARM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004022 222093826 /nfs/dbraw/zinc/09/38/26/222093826.db2.gz DUQZHKXBJHWKII-UHFFFAOYSA-N -1 0 394.905 5.043 50 0 GKAARM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004088 222093942 /nfs/dbraw/zinc/09/39/42/222093942.db2.gz SFROXIDIGKHFRW-UHFFFAOYSA-N -1 0 394.905 5.043 50 0 GKAARM Cc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccccc2C)CC(=O)N3)cc1 ZINC000064795870 222081473 /nfs/dbraw/zinc/08/14/73/222081473.db2.gz AGFGKMZOXJWLFW-INIZCTEOSA-N -1 0 377.465 5.204 50 0 GKAARM Cc1ccccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(F)cc1 ZINC000064796262 222081648 /nfs/dbraw/zinc/08/16/48/222081648.db2.gz MDUBHMKVWUOKEN-HNNXBMFYSA-N -1 0 381.428 5.035 50 0 GKAARM CCc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1 ZINC000064797295 222081822 /nfs/dbraw/zinc/08/18/22/222081822.db2.gz HXDARBLDHPZOMM-MRXNPFEDSA-N -1 0 395.455 5.289 50 0 GKAARM Cc1ccc(-c2c(C(=O)[O-])sc3c2NC(=O)C[C@@H]3c2cc(F)ccc2F)cc1 ZINC000064796161 222082227 /nfs/dbraw/zinc/08/22/27/222082227.db2.gz ZLXBXYAJUVYZGS-CQSZACIVSA-N -1 0 399.418 5.174 50 0 GKAARM Cc1ccc(-c2c(C(=O)[O-])sc3c2NC(=O)C[C@H]3c2cc(F)ccc2F)cc1 ZINC000064796158 222082417 /nfs/dbraw/zinc/08/24/17/222082417.db2.gz ZLXBXYAJUVYZGS-AWEZNQCLSA-N -1 0 399.418 5.174 50 0 GKAARM Cc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1 ZINC000064796280 222082596 /nfs/dbraw/zinc/08/25/96/222082596.db2.gz DEGQHFAHRYDBAR-OAHLLOKOSA-N -1 0 381.428 5.035 50 0 GKAARM Cc1ccc(-c2c(C(=O)[O-])sc3c2NC(=O)C[C@H]3c2cccc(F)c2F)cc1 ZINC000064796151 222082705 /nfs/dbraw/zinc/08/27/05/222082705.db2.gz RJIQMWVPZVAIDS-ZDUSSCGKSA-N -1 0 399.418 5.174 50 0 GKAARM O=C([O-])c1ccc(Nc2nc3ccccc3c(-c3ccc(Cl)cc3)n2)cc1 ZINC000072314751 222225835 /nfs/dbraw/zinc/22/58/35/222225835.db2.gz VANLIMJIUJTFBD-UHFFFAOYSA-N -1 0 375.815 5.392 50 0 GKAARM O=C([O-])c1ccc(-c2ccc3cc(O)c(C45CC6CC(CC(C6)C4)C5)cc3c2)cc1 ZINC000013815425 560220518 /nfs/dbraw/zinc/22/05/18/560220518.db2.gz VCQGNUWOMLYNNG-UHFFFAOYSA-N -1 0 398.502 6.378 50 0 in-vitro GKAARM COc1ccc2oc(-c3nc4ccc(Br)cc4cc3C(=O)[O-])cc2c1 ZINC000096319283 570228905 /nfs/dbraw/zinc/22/89/05/570228905.db2.gz JDCDUWBTOHOKCO-UHFFFAOYSA-N -1 0 398.212 5.117 50 0 GKAARM Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000020144101 570243282 /nfs/dbraw/zinc/24/32/82/570243282.db2.gz UYLNAHBEKRPWLC-UHFFFAOYSA-N -1 0 396.270 5.141 50 0 GKAARM CC(C)(C)CC(C)(C)c1ccc(OCCOC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000001761777 570268144 /nfs/dbraw/zinc/26/81/44/570268144.db2.gz PISBLXDNMNZNFG-UHFFFAOYSA-N -1 0 398.499 5.334 50 0 GKAARM O=C([O-])c1ccccc1Sc1cccc(OCc2ccc3ccccc3n2)c1 ZINC000045068892 570272009 /nfs/dbraw/zinc/27/20/09/570272009.db2.gz FALCFAHJYDIFHE-UHFFFAOYSA-N -1 0 387.460 5.663 50 0 GKAARM O=C([O-])c1ccccc1S[C@H](CC(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000002159125 570276606 /nfs/dbraw/zinc/27/66/06/570276606.db2.gz UELFNFUKKKOLDT-OAQYLSRUSA-N -1 0 396.895 6.145 50 0 GKAARM Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 ZINC000002452206 570287682 /nfs/dbraw/zinc/28/76/82/570287682.db2.gz LPFPEFZXYIGJTG-UHFFFAOYSA-N -1 0 390.464 5.118 50 0 GKAARM Cc1ccc(S[C@H](CC(=O)c2ccc(C3CCCCC3)cc2)C(=O)[O-])cc1 ZINC000002570982 570291161 /nfs/dbraw/zinc/29/11/61/570291161.db2.gz IQRUXOCQSJAEKD-JOCHJYFZSA-N -1 0 382.525 5.861 50 0 GKAARM COc1ccc(-c2c(C)[n-]n3c2nc(CSc2ccc(C)cc2)cc3=O)cc1 ZINC000102724175 570291858 /nfs/dbraw/zinc/29/18/58/570291858.db2.gz NDKSQVXXSJVSTI-UHFFFAOYSA-N -1 0 391.496 5.020 50 0 GKAARM Cc1cc(C)nc([N-]S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)n1 ZINC000002727356 570296126 /nfs/dbraw/zinc/29/61/26/570296126.db2.gz VVEUIYFWBSVOCC-UHFFFAOYSA-N -1 0 389.565 5.264 50 0 GKAARM CSc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1 ZINC000002869469 570313451 /nfs/dbraw/zinc/31/34/51/570313451.db2.gz SGNDTRHPAVCUGP-UHFFFAOYSA-N -1 0 387.551 5.361 50 0 GKAARM O=C([O-])c1cc(-c2ccc(-c3ccccc3)s2)nc2cc3c(cc21)OCCO3 ZINC000012941634 570315572 /nfs/dbraw/zinc/31/55/72/570315572.db2.gz RLJXBJYDAFQTOA-UHFFFAOYSA-N -1 0 389.432 5.100 50 0 GKAARM O=C([O-])c1ccc(-c2cnc3[nH]cc(Cc4c(Cl)cccc4Cl)c3c2)cc1 ZINC000072233848 570319697 /nfs/dbraw/zinc/31/96/97/570319697.db2.gz VZUIEPGJTBVYGL-UHFFFAOYSA-N -1 0 397.261 5.826 50 0 GKAARM CC(C)(C)c1ccc(OC([O-])=NC(=O)c2ccccc2Cl)c(C(C)(C)C)c1 ZINC000003138208 570330360 /nfs/dbraw/zinc/33/03/60/570330360.db2.gz QISKCUJLEWNKHN-UHFFFAOYSA-N -1 0 387.907 5.864 50 0 GKAARM Cc1cc(C)c(C(=O)Sc2ccc(Cl)cc2)c(CC(C)(C)C(=O)[O-])c1 ZINC000003162365 570331204 /nfs/dbraw/zinc/33/12/04/570331204.db2.gz UEIYYIDGVFOFEI-UHFFFAOYSA-N -1 0 376.905 5.543 50 0 GKAARM O=C([O-])[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000003883407 570353039 /nfs/dbraw/zinc/35/30/39/570353039.db2.gz APWDGIQCCPTEDA-UXHICEINSA-N -1 0 383.875 5.038 50 0 GKAARM COc1ccc(CCn2cc(-c3ccc(Cl)cc3)c(C(=O)[O-])c2C)cc1OC ZINC000004237706 570363701 /nfs/dbraw/zinc/36/37/01/570363701.db2.gz RTHFEBBZWMORFT-UHFFFAOYSA-N -1 0 399.874 5.075 50 0 GKAARM Cc1csc([N-]c2nccc(-c3sc(-c4ccc(Cl)cc4)nc3C)n2)n1 ZINC000221561132 570396599 /nfs/dbraw/zinc/39/65/99/570396599.db2.gz DVXKHJSDDBQHMS-UHFFFAOYSA-N -1 0 399.932 5.737 50 0 GKAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)c(C)s2)cs1 ZINC000033308403 570407154 /nfs/dbraw/zinc/40/71/54/570407154.db2.gz WDQFRLZCLJHFAP-UHFFFAOYSA-N -1 0 398.962 5.251 50 0 GKAARM COc1ccc2sc([N-]c3nc4ccc5sc(C)nc5c4s3)nc2c1 ZINC000005122832 570420772 /nfs/dbraw/zinc/42/07/72/570420772.db2.gz WVJQVQZDBSOQEE-UHFFFAOYSA-N -1 0 384.511 5.576 50 0 GKAARM COc1ccc2sc([N-]c3nc4ccc(Br)cc4s3)nc2c1 ZINC000005122706 570421681 /nfs/dbraw/zinc/42/16/81/570421681.db2.gz JPXGLONCLVYVCR-UHFFFAOYSA-N -1 0 392.303 5.421 50 0 GKAARM CCc1ccc(Oc2c(=O)c3cc(CC)c([O-])cc3oc2C(F)(F)F)cc1 ZINC000005444934 570440000 /nfs/dbraw/zinc/44/00/00/570440000.db2.gz STTUITRVYZXQBW-UHFFFAOYSA-N -1 0 378.346 5.435 50 0 GKAARM CC(C)c1cc(=O)n2[n-]c(Cc3ccccc3)c(-c3cccc4ccccc43)c2n1 ZINC000005563470 570446254 /nfs/dbraw/zinc/44/62/54/570446254.db2.gz DVYZWEZPCGXCGF-UHFFFAOYSA-N -1 0 393.490 5.557 50 0 GKAARM C[C@H](c1n[n-]c(=S)n1-c1ccccc1)c1ncc(C(F)(F)F)cc1Cl ZINC000005720733 570453037 /nfs/dbraw/zinc/45/30/37/570453037.db2.gz ILDUWYMUVCLNOM-VIFPVBQESA-N -1 0 384.814 5.149 50 0 GKAARM C[C@@H](c1n[n-]c(=S)n1-c1ccccc1)c1ncc(C(F)(F)F)cc1Cl ZINC000005721079 570453085 /nfs/dbraw/zinc/45/30/85/570453085.db2.gz ILDUWYMUVCLNOM-SECBINFHSA-N -1 0 384.814 5.149 50 0 GKAARM O=C([O-])[C@H](Sc1nc(-c2cccs2)cc(C(F)(F)F)n1)c1ccccc1 ZINC000030822753 570497069 /nfs/dbraw/zinc/49/70/69/570497069.db2.gz FUIZRZHIKOSMRK-CQSZACIVSA-N -1 0 396.415 5.142 50 0 GKAARM Cc1sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])nc1-c1cc(C)ccc1C ZINC000002743941 570512959 /nfs/dbraw/zinc/51/29/59/570512959.db2.gz KMYUZYSMWREZBT-QZTJIDSGSA-N -1 0 398.528 5.121 50 0 GKAARM O=[P@]([O-])(Oc1ccccc1)O[C@H](c1ccccc1)C(F)(F)C(F)(F)F ZINC000005257439 570527656 /nfs/dbraw/zinc/52/76/56/570527656.db2.gz DDMKGQFAWYUEEW-CYBMUJFWSA-N -1 0 382.221 5.121 50 0 GKAARM Cc1c(Cl)c(Br)cc2c(C(=O)[O-])cc(-c3ccccc3)nc12 ZINC000008548687 570533826 /nfs/dbraw/zinc/53/38/26/570533826.db2.gz IFECUCRWOSPRGT-UHFFFAOYSA-N -1 0 376.637 5.324 50 0 GKAARM O=C([O-])[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccc1 ZINC000006694712 570537903 /nfs/dbraw/zinc/53/79/03/570537903.db2.gz OBHOBVSLIIKJQA-OAQYLSRUSA-N -1 0 386.476 5.662 50 0 GKAARM CCc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1 ZINC000064795262 570546396 /nfs/dbraw/zinc/54/63/96/570546396.db2.gz OCXGSIOEWNKDEL-INIZCTEOSA-N -1 0 377.465 5.150 50 0 GKAARM Cc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1C ZINC000064795254 570546425 /nfs/dbraw/zinc/54/64/25/570546425.db2.gz RMRLEKREAFHMHT-MRXNPFEDSA-N -1 0 377.465 5.204 50 0 GKAARM Cc1ccc(-c2c(C(=O)[O-])sc3c2NC(=O)C[C@H]3c2ccccc2Cl)cc1 ZINC000064796203 570546751 /nfs/dbraw/zinc/54/67/51/570546751.db2.gz DSZQWKMMRGSFIL-AWEZNQCLSA-N -1 0 397.883 5.549 50 0 GKAARM Cc1ccc(-c2c(C(=O)[O-])sc3c2NC(=O)C[C@H]3c2cccc(F)c2)cc1 ZINC000064796171 570546883 /nfs/dbraw/zinc/54/68/83/570546883.db2.gz ZJELVQZPBMPWFV-HNNXBMFYSA-N -1 0 381.428 5.035 50 0 GKAARM Cc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2cccc(C)c2)CC(=O)N3)cc1 ZINC000064795881 570546910 /nfs/dbraw/zinc/54/69/10/570546910.db2.gz ATNBXCSHEJDJEP-MRXNPFEDSA-N -1 0 377.465 5.204 50 0 GKAARM Cc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2cc(C)ccc2C)CC(=O)N3)cc1 ZINC000064795899 570546927 /nfs/dbraw/zinc/54/69/27/570546927.db2.gz XKEPAINMCPWZEP-QGZVFWFLSA-N -1 0 391.492 5.513 50 0 GKAARM Cc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)c1 ZINC000064797269 570546936 /nfs/dbraw/zinc/54/69/36/570546936.db2.gz XXQRWVPEGJRDGC-HNNXBMFYSA-N -1 0 381.428 5.035 50 0 GKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@H]2c1ccsc1 ZINC000064795779 570546940 /nfs/dbraw/zinc/54/69/40/570546940.db2.gz IHNHSUJHRLUOBN-LBPRGKRZSA-N -1 0 389.885 5.302 50 0 GKAARM [O-]c1ccccc1-c1nc2ccccc2c(Oc2ccccc2Br)n1 ZINC000005278197 570548304 /nfs/dbraw/zinc/54/83/04/570548304.db2.gz MGUNEWQCRJLENL-UHFFFAOYSA-N -1 0 393.240 5.557 50 0 GKAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000009592573 570559938 /nfs/dbraw/zinc/55/99/38/570559938.db2.gz ZYOGEURCUCABOE-UHFFFAOYSA-N -1 0 397.356 5.113 50 0 GKAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2c(C)cccc2C)c1C ZINC000064845727 570565477 /nfs/dbraw/zinc/56/54/77/570565477.db2.gz XFNFCGYSVQVBBS-UHFFFAOYSA-N -1 0 390.530 5.054 50 0 GKAARM Cc1ccc(C(=O)[O-])c(NC(=O)OCC2c3ccccc3-c3ccccc32)c1C ZINC000038528800 570580549 /nfs/dbraw/zinc/58/05/49/570580549.db2.gz MCVBWDCTVPZBHP-UHFFFAOYSA-N -1 0 387.435 5.363 50 0 GKAARM O=c1nc[n-]c2c1sc1nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c12 ZINC000005491279 570613422 /nfs/dbraw/zinc/61/34/22/570613422.db2.gz VHEBNXHYWIJTPN-UHFFFAOYSA-N -1 0 395.896 5.582 50 0 GKAARM O=c1cc([O-])c2sc3nc(-c4cccs4)cc(-c4ccc(F)cc4)c3c2[nH]1 ZINC000005491278 570613433 /nfs/dbraw/zinc/61/34/33/570613433.db2.gz NDYXNTSJCWSSKB-UHFFFAOYSA-N -1 0 394.452 5.378 50 0 GKAARM Cc1cc([O-])c(C2=Nc3ccccc3S[C@H](c3ccccc3F)C2)c(=O)o1 ZINC000005488485 570613825 /nfs/dbraw/zinc/61/38/25/570613825.db2.gz HJSQLYYMEUGKKG-IBGZPJMESA-N -1 0 381.428 5.151 50 0 GKAARM O=C([O-])c1cccc2c1CCCN2C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000071084629 570616521 /nfs/dbraw/zinc/61/65/21/570616521.db2.gz YASMMQKDTJFGMU-UHFFFAOYSA-N -1 0 399.446 5.087 50 0 GKAARM O=c1c2ccccc2c2ccccc2c([O-])c1-c1ccc(OC(F)(F)F)cc1 ZINC000004602556 570659800 /nfs/dbraw/zinc/65/98/00/570659800.db2.gz XOGFDZPVQQWDBJ-UHFFFAOYSA-N -1 0 382.337 5.415 50 0 GKAARM O=C([O-])c1cc(Nc2nc3ccccc3c(-c3ccc(Cl)cc3)n2)ccc1O ZINC000072314551 570661041 /nfs/dbraw/zinc/66/10/41/570661041.db2.gz LFOMBKVGGWLHQZ-UHFFFAOYSA-N -1 0 391.814 5.098 50 0 GKAARM COc1ccccc1[C@H]1CC(c2c([O-])cc(C)oc2=O)=Nc2ccccc2S1 ZINC000005783417 570672302 /nfs/dbraw/zinc/67/23/02/570672302.db2.gz FGEQECFKZHTSEY-HXUWFJFHSA-N -1 0 393.464 5.020 50 0 biogenic GKAARM O=C([O-])c1cc(/C=C/c2cccc(OCc3ccccc3)c2)nc2ccccc21 ZINC000006889900 570675655 /nfs/dbraw/zinc/67/56/55/570675655.db2.gz JGGSQWIMUJSHMO-BUHFOSPRSA-N -1 0 381.431 5.682 50 0 GKAARM O=[P@@]([O-])(Nc1ccccc1)C1=C(C2=C(Nc3ccccc3)CCC2)CCC1 ZINC000005658501 570680007 /nfs/dbraw/zinc/68/00/07/570680007.db2.gz SRPTWZAVSLASJZ-UHFFFAOYSA-N -1 0 380.428 6.272 50 0 GKAARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2 ZINC000005799904 570692998 /nfs/dbraw/zinc/69/29/98/570692998.db2.gz KRADZVVFMGTWBM-OHUGHZGNSA-N -1 0 397.474 5.790 50 0 GKAARM CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000004679989 570729187 /nfs/dbraw/zinc/72/91/87/570729187.db2.gz PINZBRBXMAWSAB-UHFFFAOYSA-N -1 0 397.327 5.123 50 0 GKAARM O=C([O-])c1ccc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c32)cc1 ZINC000000955164 570737537 /nfs/dbraw/zinc/73/75/37/570737537.db2.gz HKTPYABMSOROAE-UHFFFAOYSA-N -1 0 381.844 5.454 50 0 GKAARM Cc1ccc2nc(-c3ccccc3[N-]S(=O)(=O)c3cccs3)ccc2c1 ZINC000033113761 570812306 /nfs/dbraw/zinc/81/23/06/570812306.db2.gz BUDVXLDEQRQFGQ-UHFFFAOYSA-N -1 0 380.494 5.073 50 0 GKAARM Cc1ccc(C(=O)C[C@H](SCc2c(C)c(C)c(C)c(C)c2C)C(=O)[O-])cc1 ZINC000004664860 570813263 /nfs/dbraw/zinc/81/32/63/570813263.db2.gz JWFSVTLJAVMRQO-QFIPXVFZSA-N -1 0 384.541 5.497 50 0 GKAARM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4F)cc3)sc2c1 ZINC000033169166 570834461 /nfs/dbraw/zinc/83/44/61/570834461.db2.gz XDHSQQFWCXACFY-UHFFFAOYSA-N -1 0 398.484 5.212 50 0 GKAARM O=C([O-])CC1(CC(=O)Nc2ccccc2Sc2ccccc2)CCCCC1 ZINC000003310624 570854851 /nfs/dbraw/zinc/85/48/51/570854851.db2.gz NMKZAVLQLJNNCJ-UHFFFAOYSA-N -1 0 383.513 5.592 50 0 GKAARM O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)c1ccc2ccccc2c1 ZINC000003373277 570863697 /nfs/dbraw/zinc/86/36/97/570863697.db2.gz XNFVVHAJUPNNPU-UHFFFAOYSA-N -1 0 385.794 5.313 50 0 GKAARM O=c1c2cc(-c3ccccc3)sc2[n-]c(=S)n1CCCCc1ccccc1 ZINC000017080270 570940806 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O=C([O-])c1nc(Cl)c(Cl)c(N2CCC(Cc3ccccc3)CC2)c1Cl ZINC000005754527 571000051 /nfs/dbraw/zinc/00/00/51/571000051.db2.gz MCECOFBOGHJFFV-UHFFFAOYSA-N -1 0 399.705 5.199 50 0 GKAARM Cc1ccc(C(=O)Nc2ccc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c2)cc1 ZINC000046053489 571015079 /nfs/dbraw/zinc/01/50/79/571015079.db2.gz NCZCYNRSAPRWQN-UHFFFAOYSA-N -1 0 382.504 5.064 50 0 GKAARM COc1cccc(-c2[nH]nc3nc(-c4ccc(C(C)C)cc4)cc(C(=O)[O-])c32)c1 ZINC000013363602 210058390 /nfs/dbraw/zinc/05/83/90/210058390.db2.gz PBODMGPLYAECRY-UHFFFAOYSA-N -1 0 387.439 5.122 50 0 GKAARM O=S(=O)(Nc1ccc(SCc2ccc(F)cc2)cc1)c1ccc(F)cc1 ZINC000002531671 209368676 /nfs/dbraw/zinc/36/86/76/209368676.db2.gz KPWAGTPYFSUSQF-UHFFFAOYSA-N -1 0 391.464 5.058 50 0 GKAARM [O-]c1ccccc1-c1nc2ccccc2c(Oc2cc(Cl)ccc2Cl)n1 ZINC000001878292 209341264 /nfs/dbraw/zinc/34/12/64/209341264.db2.gz LPHWCOUCKLPOPE-UHFFFAOYSA-N -1 0 383.234 6.102 50 0 GKAARM Cc1nnc([N-]S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)s1 ZINC000001061945 209294991 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COc1cc(/C=C(/CCC(=O)[O-])c2nc3ccccc3s2)cc(Cl)c1O ZINC000096767658 209242315 /nfs/dbraw/zinc/24/23/15/209242315.db2.gz RGQQBNJGJNGXGH-WQLSENKSSA-N -1 0 389.860 5.069 50 0 GKAARM CC(C)Oc1ccc(/C=C(/SCC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000097152258 209241572 /nfs/dbraw/zinc/24/15/72/209241572.db2.gz KOJZMPDOKDXNMW-WOJGMQOQSA-N -1 0 385.510 5.399 50 0 GKAARM Cc1ccc2nc(-c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc(C(=O)[O-])c2c1 ZINC000001789990 212257239 /nfs/dbraw/zinc/25/72/39/212257239.db2.gz DANLOWASZADQSW-UHFFFAOYSA-N -1 0 398.245 6.475 50 0 GKAARM CCCCCCOc1ccc(-c2nc(-c3cc(Cl)ccc3O)cc(=O)o2)cc1 ZINC000001778474 212255294 /nfs/dbraw/zinc/25/52/94/212255294.db2.gz FIGFCBKRQHXDID-UHFFFAOYSA-N -1 0 399.874 5.687 50 0 GKAARM O=C([O-])Cc1sc(Nc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000001178103 212226223 /nfs/dbraw/zinc/22/62/23/212226223.db2.gz SGWOWIZGYJHAQF-UHFFFAOYSA-N -1 0 379.268 5.488 50 0 GKAARM O=C([O-])[C@@H](CC(=O)c1ccccc1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000001020908 212205705 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CC1=C(C)C[C@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)[C@H](C(=O)[O-])C1 ZINC000004381328 204041826 /nfs/dbraw/zinc/04/18/26/204041826.db2.gz GROFMWXXTZGLAX-VQTJNVASSA-N -1 0 399.874 5.518 50 0 GKAARM CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000004493735 204047072 /nfs/dbraw/zinc/04/70/72/204047072.db2.gz IOWINLGMYFJACD-UHFFFAOYSA-N -1 0 395.480 5.566 50 0 GKAARM CC(C)(C)c1ccc(C(=O)C[C@@H](SCc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000005284302 204123042 /nfs/dbraw/zinc/12/30/42/204123042.db2.gz QGPCQMNQXSYVEI-LJQANCHMSA-N -1 0 390.932 5.597 50 0 GKAARM Cc1ccc(-c2onc3ccc(-c4cc(C(=O)[O-])c5ccccc5n4)cc32)cc1 ZINC000005014221 204101783 /nfs/dbraw/zinc/10/17/83/204101783.db2.gz BQCRRCQEVTTXIM-UHFFFAOYSA-N -1 0 380.403 5.717 50 0 GKAARM CC(C)CCOc1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000005852863 204154429 /nfs/dbraw/zinc/15/44/29/204154429.db2.gz IYZMCQQHEYJASO-GHRIWEEISA-N -1 0 381.497 5.737 50 0 GKAARM CCC(C)(C)c1ccc(Oc2nc(-c3ccccc3[O-])nc3ccccc32)cc1 ZINC000005519776 204137925 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0 GKAARM Cc1[n-]n2c(nc(CSc3ccc(C)cc3)cc2=O)c1-c1ccc(Cl)cc1 ZINC000100128340 211382002 /nfs/dbraw/zinc/38/20/02/211382002.db2.gz CBACQDSQRIKWHA-UHFFFAOYSA-N -1 0 395.915 5.252 50 0 GKAARM O=C(C(=C([O-])c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2)C(F)(F)F ZINC000100105029 211382071 /nfs/dbraw/zinc/38/20/71/211382071.db2.gz FWWZAPUFXXVPCO-FVTZREDMSA-N -1 0 384.825 5.487 50 0 GKAARM CCCCc1ccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000095953143 211286600 /nfs/dbraw/zinc/28/66/00/211286600.db2.gz KSBVZOLXNPGKKQ-UHFFFAOYSA-N -1 0 392.735 5.790 50 0 GKAARM O=C([O-])c1nc(/C=C/c2csc(-c3ccccn3)n2)sc1-c1ccccc1 ZINC000095468061 211245221 /nfs/dbraw/zinc/24/52/21/211245221.db2.gz VHOFNKQHKJSBOE-MDZDMXLPSA-N -1 0 391.477 5.197 50 0 GKAARM C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](CC(=O)[O-])CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 ZINC000071245318 211042264 /nfs/dbraw/zinc/04/22/64/211042264.db2.gz XVUVTBXRRNCXAB-AULAXYJSSA-N -1 0 391.555 6.129 50 0 GKAARM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(-c3nc(C(C)C)cs3)cs2)c1 ZINC000033297723 210639701 /nfs/dbraw/zinc/63/97/01/210639701.db2.gz AONFMINSXGXCAH-UHFFFAOYSA-N -1 0 392.571 5.413 50 0 GKAARM O=C([O-])c1cc(-c2cc(F)c(Cl)cc2Cl)nn1-c1ccccc1Cl ZINC000025781861 207306339 /nfs/dbraw/zinc/30/63/39/207306339.db2.gz CDOZGROUQZFELR-UHFFFAOYSA-N -1 0 385.609 5.337 50 0 GKAARM O=C([O-])CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000027645646 207328439 /nfs/dbraw/zinc/32/84/39/207328439.db2.gz XLGSEOAVLVTJDH-UHFFFAOYSA-N -1 0 392.584 5.240 50 0 in-vivo GKAARM Cc1ccc(C)c([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)c1 ZINC000064797291 207810847 /nfs/dbraw/zinc/81/08/47/207810847.db2.gz DIHDCYSGXWSYGJ-MRXNPFEDSA-N -1 0 395.455 5.343 50 0 GKAARM [O-]c1cc(Br)c2oc(Cc3ccccc3)cc2c1Br ZINC000000978448 220472823 /nfs/dbraw/zinc/47/28/23/220472823.db2.gz AKBRFGJTSLGFTG-UHFFFAOYSA-N -1 0 382.051 5.254 50 0 GKAARM CSc1cccc(NC(=O)C[C@@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)c1 ZINC000004371621 220712550 /nfs/dbraw/zinc/71/25/50/220712550.db2.gz MADAZVGQGNYULE-ZDUSSCGKSA-N -1 0 397.418 5.014 50 0 GKAARM O=C([O-])CC/C(=C\c1ccc(C(F)(F)F)cc1)c1nc2ccccc2s1 ZINC000005865103 220904045 /nfs/dbraw/zinc/90/40/45/220904045.db2.gz YMIVIBGGFMZJCU-ACCUITESSA-N -1 0 377.387 5.721 50 0 GKAARM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253537593 209043684 /nfs/dbraw/zinc/04/36/84/209043684.db2.gz SMEROWZSTRWXGI-UYJAJFTRSA-N -1 0 376.581 5.507 50 0 GKAARM CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](C)C(=O)[O-] ZINC000008860411 221061701 /nfs/dbraw/zinc/06/17/01/221061701.db2.gz ZECSOKFEQQDUCP-GDYZQIPQSA-N -1 0 375.553 5.721 50 0 in-vitro GKAARM Cc1ccc(-c2nnc(S[C@H](C(=O)[O-])c3ccccc3)c3ccccc32)cc1 ZINC000012176778 221161887 /nfs/dbraw/zinc/16/18/87/221161887.db2.gz JXKBJJJHDOULKQ-NRFANRHFSA-N -1 0 386.476 5.523 50 0 GKAARM CCOc1ccc(-c2[nH]nc3nc(-c4cccc(Cl)c4)cc(C(=O)[O-])c32)cc1 ZINC000013363516 221267168 /nfs/dbraw/zinc/26/71/68/221267168.db2.gz QTMYLOIODGUKOP-UHFFFAOYSA-N -1 0 393.830 5.042 50 0 GKAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2OC)cc1 ZINC000014256406 221307577 /nfs/dbraw/zinc/30/75/77/221307577.db2.gz SJGVXTIDSXNQFE-HNNXBMFYSA-N -1 0 375.534 5.307 50 0 GKAARM CC(C)(C)[C@@H]1CCc2c(sc3c2[C@H](c2ccc(C(=O)[O-])cc2)CC(=O)N3)C1 ZINC000015107615 221333194 /nfs/dbraw/zinc/33/31/94/221333194.db2.gz TUFXWLVRQXFKOB-ZBFHGGJFSA-N -1 0 383.513 5.071 50 0 GKAARM O=c1c2c3c(sc2[n-]c(=S)n1Cc1ccc(Cl)cc1)CCCCC3 ZINC000017077119 221376465 /nfs/dbraw/zinc/37/64/65/221376465.db2.gz VLNHJVOAXBUHPQ-UHFFFAOYSA-N -1 0 376.934 5.091 50 0 GKAARM [O-]c1c(Cl)cc(NC(=S)Nc2ccc(Br)cc2)cc1Cl ZINC000017080058 221378518 /nfs/dbraw/zinc/37/85/18/221378518.db2.gz IXNOSSZUZCOJEJ-UHFFFAOYSA-N -1 0 392.105 5.270 50 0 GKAARM O=C([O-])/C(=C/c1cccc(Cl)c1)Sc1nnc(-c2ccccc2Cl)o1 ZINC000034705359 221801507 /nfs/dbraw/zinc/80/15/07/221801507.db2.gz DLUICWNARNOPRD-ZROIWOOFSA-N -1 0 393.251 5.261 50 0 GKAARM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004662 222095058 /nfs/dbraw/zinc/09/50/58/222095058.db2.gz DBCREKOSQXJIIS-UHFFFAOYSA-N -1 0 392.477 5.001 50 0 GKAARM O=S(=O)([N-]c1ccccc1F)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004659 222095073 /nfs/dbraw/zinc/09/50/73/222095073.db2.gz UIGVQPXXGRNJKN-UHFFFAOYSA-N -1 0 392.477 5.001 50 0 GKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@@H]2c1cccs1 ZINC000064795788 222081676 /nfs/dbraw/zinc/08/16/76/222081676.db2.gz FOMHQLVKOMHIGQ-LLVKDONJSA-N -1 0 389.885 5.302 50 0 GKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@@H]2c1ccccc1 ZINC000064795476 222081841 /nfs/dbraw/zinc/08/18/41/222081841.db2.gz ZHPYIVCLLBOXKR-CQSZACIVSA-N -1 0 383.856 5.241 50 0 GKAARM Cc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccccc2C)CC(=O)N3)cc1 ZINC000064795875 222081974 /nfs/dbraw/zinc/08/19/74/222081974.db2.gz AGFGKMZOXJWLFW-MRXNPFEDSA-N -1 0 377.465 5.204 50 0 GKAARM CCc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1 ZINC000064797293 222082304 /nfs/dbraw/zinc/08/23/04/222082304.db2.gz HXDARBLDHPZOMM-INIZCTEOSA-N -1 0 395.455 5.289 50 0 GKAARM Cc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)c1 ZINC000064796269 222082350 /nfs/dbraw/zinc/08/23/50/222082350.db2.gz AXSGWYKNUSXFKH-HNNXBMFYSA-N -1 0 381.428 5.035 50 0 GKAARM Cc1ccc(-c2c(C(=O)[O-])sc3c2NC(=O)C[C@@H]3c2cccc(F)c2F)cc1 ZINC000064796154 222082624 /nfs/dbraw/zinc/08/26/24/222082624.db2.gz RJIQMWVPZVAIDS-CYBMUJFWSA-N -1 0 399.418 5.174 50 0 GKAARM Cc1ccc(-c2nc(S(=O)(=O)[N-]c3ccccc3)c(-c3ccccc3)o2)cc1 ZINC000094992789 222328782 /nfs/dbraw/zinc/32/87/82/222328782.db2.gz WEILDXDZXIHYOV-UHFFFAOYSA-N -1 0 390.464 5.118 50 0 GKAARM O=[P@]([O-])(CCc1ccccc1)[C@@H](NCc1ccccc1)c1ccc(Cl)cc1 ZINC000020567134 518203206 /nfs/dbraw/zinc/20/32/06/518203206.db2.gz CFXIGCDFXFTROA-JOCHJYFZSA-N -1 0 399.858 5.642 50 0 GKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253531446 524122321 /nfs/dbraw/zinc/12/23/21/524122321.db2.gz SMEROWZSTRWXGI-NNBUUULUSA-N -1 0 376.581 5.507 50 0 GKAARM CC(C)(C)c1ccc(-c2nc3ccccc3c(Nc3ccc(C(=O)[O-])cc3)n2)cc1 ZINC000001833685 560184915 /nfs/dbraw/zinc/18/49/15/560184915.db2.gz ZNSUGEQEFLIXSX-UHFFFAOYSA-N -1 0 397.478 6.036 50 0 biogenic,in-vitro GKAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1ccc(Br)cc1 ZINC000000854345 570226898 /nfs/dbraw/zinc/22/68/98/570226898.db2.gz GOVUOXQTJNWVIU-UHFFFAOYSA-N -1 0 396.240 5.067 50 0 GKAARM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1cc(Cl)ccc1Cl ZINC000001157200 570250608 /nfs/dbraw/zinc/25/06/08/570250608.db2.gz HFLNUGYYRIKBLV-UHFFFAOYSA-N -1 0 394.279 5.587 50 0 GKAARM FC(F)(F)c1cc(-c2cccs2)nc([N-]c2nc3ccccc3s2)n1 ZINC000001853006 570269725 /nfs/dbraw/zinc/26/97/25/570269725.db2.gz XQHBBJHFYFSAEA-UHFFFAOYSA-N -1 0 378.404 5.577 50 0 GKAARM O=P([N-]C(=S)Nc1ccccc1)(Oc1ccccc1)Oc1ccccc1 ZINC000003086393 570270698 /nfs/dbraw/zinc/27/06/98/570270698.db2.gz RYNIACVAJBDLIM-UHFFFAOYSA-N -1 0 384.397 5.239 50 0 GKAARM O=C([O-])c1ccc(Sc2cccc(OCc3ccc4ccccc4n3)c2)cc1 ZINC000045068704 570272013 /nfs/dbraw/zinc/27/20/13/570272013.db2.gz VNKLFPHQSABWGE-UHFFFAOYSA-N -1 0 387.460 5.663 50 0 GKAARM O=S(=O)([N-]c1ccc2oc3c(c2c1)CCCC3)c1cc(Cl)ccc1Cl ZINC000002184765 570277858 /nfs/dbraw/zinc/27/78/58/570277858.db2.gz QIMNDPSXUMNEOO-UHFFFAOYSA-N -1 0 396.295 5.419 50 0 GKAARM CC(C)(C)[C@@H]1CCc2c(sc3[n-]c(=S)n(Cc4ccccc4)c(=O)c23)C1 ZINC000002275665 570280987 /nfs/dbraw/zinc/28/09/87/570280987.db2.gz UEAGJAYIKACJKS-CQSZACIVSA-N -1 0 384.570 5.320 50 0 GKAARM Cc1c(Cl)ccc2c(C(=O)[O-])cc(-c3cccc(Br)c3)nc12 ZINC000002526026 570290015 /nfs/dbraw/zinc/29/00/15/570290015.db2.gz HNCJDXGTCZHGNP-UHFFFAOYSA-N -1 0 376.637 5.324 50 0 GKAARM O=C([O-])c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)c1ccco1 ZINC000002840756 570307123 /nfs/dbraw/zinc/30/71/23/570307123.db2.gz GEKNBNVZCPJWNM-UHFFFAOYSA-N -1 0 389.432 5.626 50 0 GKAARM Cc1cc2oc(-c3ccc(C(C)C)cc3)c(-c3c([O-])cc(C)oc3=O)c2c(=O)o1 ZINC000524731557 570328845 /nfs/dbraw/zinc/32/88/45/570328845.db2.gz BOXJCCJYNSCXKG-UHFFFAOYSA-N -1 0 392.407 5.119 50 0 biogenic GKAARM CCc1cccc2c([C@H](CC(=O)c3ccc(C(C)(C)C)cc3)C(=O)[O-])c[nH]c21 ZINC000003135684 570330352 /nfs/dbraw/zinc/33/03/52/570330352.db2.gz UCKVLKHHTMNVCA-IBGZPJMESA-N -1 0 377.484 5.469 50 0 GKAARM Cc1sc(Nc2ccc(C(=O)[O-])cc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000004859410 570349482 /nfs/dbraw/zinc/34/94/82/570349482.db2.gz GXPCMOIGZXXDCV-UHFFFAOYSA-N -1 0 379.268 5.867 50 0 GKAARM Cc1c(C)c(C)c(CSc2ccccc2NC(=O)/C=C/C(=O)[O-])c(C)c1C ZINC000003983615 570353693 /nfs/dbraw/zinc/35/36/93/570353693.db2.gz AEOQOELNVLBAIN-ZHACJKMWSA-N -1 0 383.513 5.100 50 0 GKAARM O=C([O-])c1c2ccccc2nc(-c2ccccc2)c1Oc1ccc(Cl)cc1 ZINC000004091456 570356980 /nfs/dbraw/zinc/35/69/80/570356980.db2.gz JNVWYYOEZYFXMH-UHFFFAOYSA-N -1 0 375.811 6.046 50 0 GKAARM CCCCC(=O)Nc1ccc(N2CC=C(c3ccccc3C)CC2)c(C(=O)[O-])c1 ZINC000035451292 570362058 /nfs/dbraw/zinc/36/20/58/570362058.db2.gz MBTKNWZZXWOLBC-UHFFFAOYSA-N -1 0 392.499 5.116 50 0 GKAARM O=c1c2c(-c3ccc(F)cc3)csc2[n-]c(=S)n1CCc1ccccc1 ZINC000004200292 570363104 /nfs/dbraw/zinc/36/31/04/570363104.db2.gz PZCIRPZWLKXYLF-UHFFFAOYSA-N -1 0 382.485 5.169 50 0 GKAARM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)N1CCCCCC1 ZINC000000823369 570375878 /nfs/dbraw/zinc/37/58/78/570375878.db2.gz UVKYZZQMMDTXKV-UHFFFAOYSA-N -1 0 385.074 5.015 50 0 GKAARM Cc1ccc2nc(C(=O)[O-])cc(Nc3ccc(OCc4ccccc4)cc3)c2c1 ZINC000035528299 570393182 /nfs/dbraw/zinc/39/31/82/570393182.db2.gz GHXKOBHZIDJMGG-UHFFFAOYSA-N -1 0 384.435 5.564 50 0 GKAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004724577 570397948 /nfs/dbraw/zinc/39/79/48/570397948.db2.gz FBAFQBKODGYQFN-UHFFFAOYSA-N -1 0 385.341 5.323 50 0 GKAARM Cc1nc2c(-c3cccc4ccccc43)c(Cc3ccccc3)[n-]n2c(=O)c1Cl ZINC000005034936 570425294 /nfs/dbraw/zinc/42/52/94/570425294.db2.gz IJUMKDCOYPTZEW-UHFFFAOYSA-N -1 0 399.881 5.395 50 0 GKAARM Cc1cc(Oc2c(=O)c3ccc([O-])cc3oc2C(F)(F)F)cc(C)c1Cl ZINC000005488827 570442194 /nfs/dbraw/zinc/44/21/94/570442194.db2.gz RGUMCBUBLAPRJJ-UHFFFAOYSA-N -1 0 384.737 5.580 50 0 GKAARM Cc1c([O-])ccc2c(=O)c(-c3nc4ccccc4s3)c(C(F)(F)F)oc12 ZINC000005611640 570449166 /nfs/dbraw/zinc/44/91/66/570449166.db2.gz HBQZTMUOXUQHTH-UHFFFAOYSA-N -1 0 377.343 5.103 50 0 GKAARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1OCc1ccccc1)N2 ZINC000252617352 570454435 /nfs/dbraw/zinc/45/44/35/570454435.db2.gz KRADZVVFMGTWBM-RNHFSVANSA-N -1 0 397.474 5.790 50 0 GKAARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2 ZINC000252617353 570454506 /nfs/dbraw/zinc/45/45/06/570454506.db2.gz KRADZVVFMGTWBM-UMEGOILYSA-N -1 0 397.474 5.790 50 0 GKAARM CCCCc1cc2c(cc1[O-])oc(C(F)(F)F)c(-c1nc(C)cs1)c2=O ZINC000006204245 570471905 /nfs/dbraw/zinc/47/19/05/570471905.db2.gz RWLNYFLNQUOVDZ-UHFFFAOYSA-N -1 0 383.391 5.292 50 0 GKAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(C(C)C)cc2)C1 ZINC000006561180 570483475 /nfs/dbraw/zinc/48/34/75/570483475.db2.gz RUIANJMLZWVXPL-CPNJWEJPSA-N -1 0 386.495 5.433 50 0 GKAARM O=C([O-])c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000007604028 570510058 /nfs/dbraw/zinc/51/00/58/570510058.db2.gz RAQGJALLLSCVTO-UHFFFAOYSA-N -1 0 376.033 5.033 50 0 GKAARM CCc1ccc2nc(-c3ccc(-c4ccc(C)c(Cl)c4)o3)cc(C(=O)[O-])c2c1 ZINC000005237259 570524381 /nfs/dbraw/zinc/52/43/81/570524381.db2.gz XUHPTIYSSOJUTO-UHFFFAOYSA-N -1 0 391.854 6.384 50 0 GKAARM CC(C)c1cccc(C(C)C)c1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000008382848 570530203 /nfs/dbraw/zinc/53/02/03/570530203.db2.gz OIUFMAWVMYSEFZ-UHFFFAOYSA-N -1 0 386.344 6.041 50 0 GKAARM CC(C)Sc1nc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2s1 ZINC000064747841 570532610 /nfs/dbraw/zinc/53/26/10/570532610.db2.gz CMTRRIULBGCNNE-UHFFFAOYSA-N -1 0 398.962 5.251 50 0 GKAARM Cc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccc(C)c(C)c2)CC(=O)N3)cc1 ZINC000064795893 570546937 /nfs/dbraw/zinc/54/69/37/570546937.db2.gz PADMPCLVDBRHER-QGZVFWFLSA-N -1 0 391.492 5.513 50 0 GKAARM Cc1ccc(-c2c(C(=O)[O-])sc3c2NC(=O)C[C@@H]3c2cccc(Cl)c2)cc1 ZINC000064796217 570546939 /nfs/dbraw/zinc/54/69/39/570546939.db2.gz UUNOICYHWKKIMP-OAHLLOKOSA-N -1 0 397.883 5.549 50 0 GKAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cc(Cl)ccc2C)on1 ZINC000064845348 570565133 /nfs/dbraw/zinc/56/51/33/570565133.db2.gz VBEWBTBAYURSQX-UHFFFAOYSA-N -1 0 396.921 5.091 50 0 GKAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cc(C)ccc2C)c1C ZINC000064845789 570565715 /nfs/dbraw/zinc/56/57/15/570565715.db2.gz VHBYHIBYKVCYMS-UHFFFAOYSA-N -1 0 390.530 5.054 50 0 GKAARM COc1ccc([C@H]2CC(c3c(=O)cc(C)oc3[O-])=Nc3ccccc3S2)cc1 ZINC000138449645 570565910 /nfs/dbraw/zinc/56/59/10/570565910.db2.gz QWCMRPZHHXHBQR-HXUWFJFHSA-N -1 0 393.464 5.020 50 0 GKAARM O=C([O-])c1cc(-c2cccc(Cl)c2)nc2n[nH]c(-c3ccc(Cl)cc3)c21 ZINC000006748954 570567173 /nfs/dbraw/zinc/56/71/73/570567173.db2.gz UXMRSKVZANKQEB-UHFFFAOYSA-N -1 0 384.222 5.297 50 0 GKAARM Cc1nc(-c2ccc(Oc3ccc(Br)cc3)cc2)sc1C(=O)[O-] ZINC000011860051 570588950 /nfs/dbraw/zinc/58/89/50/570588950.db2.gz GLCSIARTADTLKN-UHFFFAOYSA-N -1 0 390.258 5.372 50 0 GKAARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C1SCc2cc(C)c(C)cc2CS1 ZINC000136531332 570612824 /nfs/dbraw/zinc/61/28/24/570612824.db2.gz JWPRCKYRNREIRN-UHFFFAOYSA-N -1 0 396.581 5.578 50 0 GKAARM Cc1cc([O-])c(C2=Nc3ccccc3S[C@@H](c3ccccc3F)C2)c(=O)o1 ZINC000005488494 570613817 /nfs/dbraw/zinc/61/38/17/570613817.db2.gz HJSQLYYMEUGKKG-LJQANCHMSA-N -1 0 381.428 5.151 50 0 GKAARM O=C([O-])CCCC[C@H](CCSCc1ccccc1)SCc1ccccc1 ZINC000043208701 570626217 /nfs/dbraw/zinc/62/62/17/570626217.db2.gz ZYRLHJIMTROTBO-OAQYLSRUSA-N -1 0 388.598 6.257 50 0 investigational GKAARM O=C([O-])c1ccc(N=NC=C2CSc3ccc(Cl)cc3C2Cl)cc1 ZINC000001957757 570641525 /nfs/dbraw/zinc/64/15/25/570641525.db2.gz MREBPLVWPIMSDR-DNTJNYDQSA-N -1 0 379.268 5.192 50 0 GKAARM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004241 570644633 /nfs/dbraw/zinc/64/46/33/570644633.db2.gz UXGVBTMJGCRFSZ-UHFFFAOYSA-N -1 0 394.905 5.125 50 0 GKAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)cc1C ZINC000065004383 570644649 /nfs/dbraw/zinc/64/46/49/570644649.db2.gz XJWZYUWWBCPSAJ-UHFFFAOYSA-N -1 0 388.514 5.088 50 0 GKAARM CC[C@@](C)(c1ccccc1)[C@H](OC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000003136885 570680779 /nfs/dbraw/zinc/68/07/79/570680779.db2.gz KUZKJQKIQSRWRK-RDGATRHJSA-N -1 0 388.463 5.651 50 0 GKAARM Cc1cc(-c2csc(COc3ccccc3)n2)c(C)n1CCCCCC(=O)[O-] ZINC000012991930 570738518 /nfs/dbraw/zinc/73/85/18/570738518.db2.gz VYVNNIAWWGSSQA-UHFFFAOYSA-N -1 0 398.528 5.452 50 0 GKAARM O=C([O-])c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)o2)nc2ccccc21 ZINC000000958937 570739242 /nfs/dbraw/zinc/73/92/42/570739242.db2.gz BGWCENBVTHKYKX-UHFFFAOYSA-N -1 0 384.218 6.167 50 0 GKAARM FC(F)(F)c1ccc(Cl)c(-n2c(=S)[n-]nc2Cc2cccs2)c1 ZINC000013635385 570765159 /nfs/dbraw/zinc/76/51/59/570765159.db2.gz SFGIMRQXAOOZEM-UHFFFAOYSA-N -1 0 375.828 5.254 50 0 GKAARM O=c1c(Sc2ccc(Cl)cc2)c([O-])c2ccccc2n1-c1ccccc1 ZINC000101085622 570799208 /nfs/dbraw/zinc/79/92/08/570799208.db2.gz HLXVTKQQGKAWBR-UHFFFAOYSA-N -1 0 379.868 5.501 50 0 GKAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(-c2ccc3ccccc3c2)cc1)C(=O)[O-] ZINC000014632739 570853208 /nfs/dbraw/zinc/85/32/08/570853208.db2.gz SSMAVWXUZPUZBW-NRFANRHFSA-N -1 0 391.467 5.027 50 0 GKAARM COc1ccc(Cl)cc1-n1c(=S)[n-]nc1C12CC3CC(CC(C3)C1)C2 ZINC000004708176 570854864 /nfs/dbraw/zinc/85/48/64/570854864.db2.gz CCQJBUCYMFATRT-UHFFFAOYSA-N -1 0 375.925 5.060 50 0 GKAARM CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@H](c2ccc(C(=O)[O-])cc2)S1 ZINC000071288027 570889374 /nfs/dbraw/zinc/88/93/74/570889374.db2.gz VUXUNMUTPQEOLB-KRWDZBQOSA-N -1 0 385.489 5.068 50 0 GKAARM CCCCCC[C@]1(CCCCCCCCCCC(=O)[O-])OCC(C)(C)N1O ZINC000100406582 570907918 /nfs/dbraw/zinc/90/79/18/570907918.db2.gz BCSQTDYXKYRTKX-JOCHJYFZSA-N -1 0 384.581 6.095 50 0 in-vitro GKAARM O=C([O-])c1ccccc1C(=O)O[C@@H]1CCCCCc2ccc(cc2)CCCC1 ZINC000004533112 570949798 /nfs/dbraw/zinc/94/97/98/570949798.db2.gz BRYOPFOFPIEBGP-HXUWFJFHSA-N -1 0 380.484 5.440 50 0 GKAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C)c(C)s2)sc1C ZINC000033290035 570960789 /nfs/dbraw/zinc/96/07/89/570960789.db2.gz FNAQRYMONOCEKV-UHFFFAOYSA-N -1 0 392.571 5.160 50 0 GKAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)c(C)s2)cs1 ZINC000033308393 570968167 /nfs/dbraw/zinc/96/81/67/570968167.db2.gz SNABFSQXBHVSBZ-UHFFFAOYSA-N -1 0 398.962 5.251 50 0 GKAARM CCCN(Cc1nc(=O)c2sccc2[n-]1)Cc1ccc(Cl)cc1Cl ZINC000012737213 570979015 /nfs/dbraw/zinc/97/90/15/570979015.db2.gz PDTKPPRQYSCUEL-UHFFFAOYSA-N -1 0 382.316 5.116 50 0 GKAARM CCOc1ccc(-n2c(C)c(C(=O)[O-])c3cc(OC)c4ccccc4c32)cc1 ZINC000004808051 570996580 /nfs/dbraw/zinc/99/65/80/570996580.db2.gz SCWWFPMIDAWVIU-UHFFFAOYSA-N -1 0 375.424 5.198 50 0 GKAARM CC(C)=C1CC[C@H](C)[C@@](C)(COc2ccc3ccc(=O)oc3c2)[C@H]1CCC(=O)[O-] ZINC000082077808 574416621 /nfs/dbraw/zinc/41/66/21/574416621.db2.gz CVWWNYPTZYQCSE-GSMBIVSISA-N -1 0 398.499 5.425 50 0 endogenous,in-man GKAARM O=c1c2cc(Cc3ccccc3)sc2[n-]c(=S)n1Cc1ccc(Cl)cc1 ZINC000017081636 210203914 /nfs/dbraw/zinc/20/39/14/210203914.db2.gz CEUJLLOIHRUVOG-UHFFFAOYSA-N -1 0 398.940 5.413 50 0 GKAARM Cc1ccc(C)c(/C=C2/C[C@@H](C(C)(C)C)Cc3c(C(=O)[O-])c4ccccc4nc32)c1 ZINC000035394623 209657415 /nfs/dbraw/zinc/65/74/15/209657415.db2.gz XIQWQSJJCWYHJQ-QRRJMBGHSA-N -1 0 399.534 6.699 50 0 GKAARM COc1ccc2cc(/C=C(\CC(=O)[O-])c3nc4ccccc4s3)ccc2c1 ZINC000005131037 209573138 /nfs/dbraw/zinc/57/31/38/209573138.db2.gz NFODTKKKOQLCCW-GZTJUZNOSA-N -1 0 375.449 5.473 50 0 GKAARM O=C([O-])c1ccc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000002839613 209390124 /nfs/dbraw/zinc/39/01/24/209390124.db2.gz HWARRBNHGPIIKB-UHFFFAOYSA-N -1 0 395.245 5.969 50 0 GKAARM Cc1ccc(C)c(NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1 ZINC000002494934 209368553 /nfs/dbraw/zinc/36/85/53/209368553.db2.gz COJYIFKJMHOZJL-UHFFFAOYSA-N -1 0 387.589 6.474 50 0 GKAARM CCOc1ccccc1Oc1nc(-c2cccc(OC)c2[O-])nc2ccccc21 ZINC000002344324 209357258 /nfs/dbraw/zinc/35/72/58/209357258.db2.gz SADPLXXZOJMADM-UHFFFAOYSA-N -1 0 388.423 5.202 50 0 GKAARM O=C([O-])C[C@@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000001033262 209291383 /nfs/dbraw/zinc/29/13/83/209291383.db2.gz KNFZVFGMMDEDHN-GOSISDBHSA-N -1 0 375.424 5.066 50 0 GKAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccc3ccccc3c2)cc1 ZINC000000990677 209286586 /nfs/dbraw/zinc/28/65/86/209286586.db2.gz COWVJZMSQNLITM-FGZHOGPDSA-N -1 0 389.451 5.462 50 0 GKAARM O=C([O-])[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccccc1 ZINC000000944017 209282385 /nfs/dbraw/zinc/28/23/85/209282385.db2.gz SGUROLTYKJSAER-OAQYLSRUSA-N -1 0 387.460 5.927 50 0 GKAARM COc1cc(CNc2ccc(C(=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 ZINC000000679354 209259533 /nfs/dbraw/zinc/25/95/33/209259533.db2.gz DBDXIMOIRJRFOX-UHFFFAOYSA-N -1 0 397.858 5.238 50 0 GKAARM Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC[C@@](C)(C(=O)[O-])C3(C)C)cc2)c1C ZINC000000629875 209252096 /nfs/dbraw/zinc/25/20/96/209252096.db2.gz DJSQHDSOHDWBAC-DVECYGJZSA-N -1 0 395.499 5.561 50 0 GKAARM Cc1ccc(-c2csc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C(=O)[O-])cc1 ZINC000002060181 212263520 /nfs/dbraw/zinc/26/35/20/212263520.db2.gz HPJIZPQYDGHICF-UHFFFAOYSA-N -1 0 393.508 5.972 50 0 GKAARM C[C@@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000006175814 209189190 /nfs/dbraw/zinc/18/91/90/209189190.db2.gz CUCGZTLXMQARJT-LQELWAHVSA-N -1 0 398.289 6.363 50 0 GKAARM O=c1ccc2ccc([O-])c(C3=Nc4ccccc4S[C@@H](c4ccccc4)C3)c2o1 ZINC000000688067 212175523 /nfs/dbraw/zinc/17/55/23/212175523.db2.gz OZAPMFWNGGEYTR-OAQYLSRUSA-N -1 0 399.471 5.857 50 0 GKAARM Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC[C@](C)(C(=O)[O-])C3(C)C)cc2)c1C ZINC000000629873 212167620 /nfs/dbraw/zinc/16/76/20/212167620.db2.gz DJSQHDSOHDWBAC-YADARESESA-N -1 0 395.499 5.561 50 0 GKAARM COc1ccc2cc(/C=C(/CC(=O)[O-])c3nc4ccccc4s3)ccc2c1 ZINC000034891011 212159852 /nfs/dbraw/zinc/15/98/52/212159852.db2.gz NFODTKKKOQLCCW-BOPFTXTBSA-N -1 0 375.449 5.473 50 0 GKAARM CC(C)(C)c1ccc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC000096759350 212155674 /nfs/dbraw/zinc/15/56/74/212155674.db2.gz IXPAAMNKAPFWDI-MHWRWJLKSA-N -1 0 382.847 5.068 50 0 GKAARM COc1ccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)[O-])c(OC)c1 ZINC000096767493 203834768 /nfs/dbraw/zinc/83/47/68/203834768.db2.gz SGRIRISNTKDMKC-IZCBMXNHSA-N -1 0 389.451 5.073 50 0 GKAARM O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cc(Cl)c([O-])c(Cl)c1 ZINC000003422127 204005585 /nfs/dbraw/zinc/00/55/85/204005585.db2.gz PERRCZLHCDAXSW-UHFFFAOYSA-N -1 0 382.577 5.206 50 0 GKAARM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C\c1ccc(Cl)c(Cl)c1 ZINC000003885068 204020685 /nfs/dbraw/zinc/02/06/85/204020685.db2.gz IZCYJOSBAPLKSB-JLHYYAGUSA-N -1 0 384.262 6.117 50 0 GKAARM Cc1sc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])nc1-c1ccc(C)cc1C ZINC000004651947 204059107 /nfs/dbraw/zinc/05/91/07/204059107.db2.gz IAJMHXAPLGFHOT-ROUUACIJSA-N -1 0 398.528 5.121 50 0 GKAARM O=c1[nH]c(-c2ccc(-c3cccc(Cl)c3)o2)nc2sc3c(c21)CCCC3 ZINC000004663893 204060646 /nfs/dbraw/zinc/06/06/46/204060646.db2.gz QKIUJNLZKAKRIH-UHFFFAOYSA-N -1 0 382.872 5.444 50 0 GKAARM Cc1ccc(CN2C(=O)S/C(=C\c3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1 ZINC000006009187 204161299 /nfs/dbraw/zinc/16/12/99/204161299.db2.gz ODOXRGFJJHNSDM-NVNXTCNLSA-N -1 0 394.279 5.244 50 0 GKAARM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000006848554 204214516 /nfs/dbraw/zinc/21/45/16/204214516.db2.gz FGGDISAOKLAWSE-UHFFFAOYSA-N -1 0 376.280 5.058 50 0 GKAARM O=C([O-])c1cc(-c2cc(F)c(Cl)cc2Cl)nn1-c1cccc(Cl)c1 ZINC000006251162 204172577 /nfs/dbraw/zinc/17/25/77/204172577.db2.gz SZTDBSCPKLUDRT-UHFFFAOYSA-N -1 0 385.609 5.337 50 0 GKAARM CCOc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)[O-])cc1OC ZINC000006338732 204174492 /nfs/dbraw/zinc/17/44/92/204174492.db2.gz MWNLUHNKCBMKKU-DTQAZKPQSA-N -1 0 389.451 5.217 50 0 GKAARM O=C([O-])CC/C(=C\c1ccc(-c2ccccc2)cc1)c1nc2ccccc2s1 ZINC000006429734 204178202 /nfs/dbraw/zinc/17/82/02/204178202.db2.gz LRTUFNQXBXGGRO-CAPFRKAQSA-N -1 0 385.488 6.369 50 0 GKAARM CC(C)CCSc1n[n-]c2nc3c(c(=O)n21)C1(CCCC1)Cc1ccccc1-3 ZINC000009289479 204305952 /nfs/dbraw/zinc/30/59/52/204305952.db2.gz YFNSJVYOYZGLAQ-UHFFFAOYSA-N -1 0 394.544 5.003 50 0 GKAARM CCOc1ccc2nc([N-]c3nc(-c4ccc5c(c4)OCO5)cs3)sc2c1 ZINC000057509487 205159291 /nfs/dbraw/zinc/15/92/91/205159291.db2.gz QEIMSEPAADIPBA-UHFFFAOYSA-N -1 0 397.481 5.291 50 0 GKAARM CCCCc1ccc(-c2nc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])sc2C)cc1 ZINC000002112281 209117219 /nfs/dbraw/zinc/11/72/19/209117219.db2.gz YYZVHDMGDQXREF-QZTJIDSGSA-N -1 0 398.528 5.067 50 0 GKAARM Cc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1 ZINC000064797276 205195340 /nfs/dbraw/zinc/19/53/40/205195340.db2.gz KHFXRULRTPFKOA-OAHLLOKOSA-N -1 0 381.428 5.035 50 0 GKAARM Cc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)c1 ZINC000064797271 205195695 /nfs/dbraw/zinc/19/56/95/205195695.db2.gz XXQRWVPEGJRDGC-OAHLLOKOSA-N -1 0 381.428 5.035 50 0 GKAARM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC[C@](C)(CCC(=O)[O-])[C@@H]3CC[C@@]21C ZINC000257350377 206183224 /nfs/dbraw/zinc/18/32/24/206183224.db2.gz WWVQLMQJZZQLPX-UELODBBJSA-N -1 0 390.652 7.563 50 0 GKAARM CCc1cc2c(cc1[O-])oc(C(F)(F)F)c(-c1nc3ccccc3s1)c2=O ZINC000005444888 206293546 /nfs/dbraw/zinc/29/35/46/206293546.db2.gz MFHMVRSXKGLIJH-UHFFFAOYSA-N -1 0 391.370 5.357 50 0 biogenic GKAARM CCOc1ccc(Nc2nc(-c3ccc(CC)cc3)c(CC(=O)[O-])s2)cc1 ZINC000000658167 206312987 /nfs/dbraw/zinc/31/29/87/206312987.db2.gz IMXQVGFAHUPQJW-UHFFFAOYSA-N -1 0 382.485 5.142 50 0 GKAARM C[C@@H]1CCC[C@H](C)N1C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] ZINC000000823359 206325266 /nfs/dbraw/zinc/32/52/66/206325266.db2.gz IUQLETNBDFJNHI-KNVOCYPGSA-N -1 0 399.101 5.402 50 0 GKAARM Cc1ccsc1-c1ccc(CNC(=O)CC2(CC(=O)[O-])CCCCC2)cc1 ZINC000001025525 206342353 /nfs/dbraw/zinc/34/23/53/206342353.db2.gz MXVXCFUGORYNGT-UHFFFAOYSA-N -1 0 385.529 5.155 50 0 GKAARM O=C([O-])C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCCCCC1 ZINC000001433291 206381338 /nfs/dbraw/zinc/38/13/38/206381338.db2.gz ZOPBLCNRXHNKHT-UHFFFAOYSA-N -1 0 393.483 5.093 50 0 GKAARM O=C([O-])c1cccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)c1 ZINC000000940565 211500738 /nfs/dbraw/zinc/50/07/38/211500738.db2.gz QEFZMXIGKOAQCI-UHFFFAOYSA-N -1 0 375.815 5.392 50 0 biogenic,in-vitro GKAARM Cc1[n-]n2c(nc(CSc3ccc(Cl)cc3)cc2=O)c1-c1ccc(F)cc1 ZINC000100071928 211382134 /nfs/dbraw/zinc/38/21/34/211382134.db2.gz HVVOMVSSAHEPPV-UHFFFAOYSA-N -1 0 399.878 5.083 50 0 GKAARM O=C([O-])[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccc1 ZINC000006694711 206663141 /nfs/dbraw/zinc/66/31/41/206663141.db2.gz OBHOBVSLIIKJQA-NRFANRHFSA-N -1 0 386.476 5.662 50 0 GKAARM CCc1[n-]n2c(nc(CSc3ccc(C)cc3)cc2=O)c1-c1ccc(F)cc1 ZINC000008990483 206771191 /nfs/dbraw/zinc/77/11/91/206771191.db2.gz XVQCLWXYDNBOCC-UHFFFAOYSA-N -1 0 393.487 5.404 50 0 GKAARM Cc1c(Cl)cccc1NCc1cn(-c2ccc(C(=O)[O-])s2)c2ccccc12 ZINC000009740937 206798590 /nfs/dbraw/zinc/79/85/90/206798590.db2.gz MGRWISUIYQQNOQ-UHFFFAOYSA-N -1 0 396.899 5.964 50 0 GKAARM COc1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c([O-])c3n2)cc1OC ZINC000013063313 206967533 /nfs/dbraw/zinc/96/75/33/206967533.db2.gz TULXGKAJKDDGTI-HWKANZROSA-N -1 0 376.239 5.435 50 0 GKAARM COc1ccc(CCn2c(=O)c3cc(-c4ccccc4)sc3[n-]c2=S)cc1 ZINC000017080669 207084570 /nfs/dbraw/zinc/08/45/70/207084570.db2.gz UBSLGJVNMSKCMH-UHFFFAOYSA-N -1 0 394.521 5.039 50 0 GKAARM O=c1c2cc(-c3ccccc3)sc2[n-]c(=S)n1CCc1ccc(Cl)cc1 ZINC000017081638 207084631 /nfs/dbraw/zinc/08/46/31/207084631.db2.gz YWQYCFISRZXGPJ-UHFFFAOYSA-N -1 0 398.940 5.684 50 0 GKAARM O=C(C[C@H](c1ccc(F)cc1)c1c(=O)oc2ccccc2c1[O-])c1ccccc1 ZINC000019897611 207170782 /nfs/dbraw/zinc/17/07/82/207170782.db2.gz QPKVPZAFCJKAGJ-LJQANCHMSA-N -1 0 388.394 5.043 50 0 GKAARM Cc1ccc(-c2c(C(=O)[O-])sc3c2NC(=O)C[C@H]3c2cccc(Cl)c2)cc1 ZINC000064796213 207812091 /nfs/dbraw/zinc/81/20/91/207812091.db2.gz UUNOICYHWKKIMP-HNNXBMFYSA-N -1 0 397.883 5.549 50 0 GKAARM Cc1noc(-c2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)c(C)s2)c1C ZINC000096323515 208307236 /nfs/dbraw/zinc/30/72/36/208307236.db2.gz AIOPCQRZRBSDPB-UHFFFAOYSA-N -1 0 396.921 5.091 50 0 GKAARM CCCCCCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2)c([O-])c2ccccc21 ZINC000100534650 208376873 /nfs/dbraw/zinc/37/68/73/208376873.db2.gz HEVQHOKZBZRZIX-UHFFFAOYSA-N -1 0 398.890 5.193 50 0 GKAARM CCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2cc(C)ccc2C)c1=O ZINC000100658345 208378477 /nfs/dbraw/zinc/37/84/77/208378477.db2.gz XYKOAYLTAVWVBD-UHFFFAOYSA-N -1 0 392.499 5.157 50 0 GKAARM Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CCCC[C@H]4C(=O)[O-])cc3)sc2c1 ZINC000006860193 208684481 /nfs/dbraw/zinc/68/44/81/208684481.db2.gz GMEIESRUGGZCFX-IAGOWNOFSA-N -1 0 394.496 5.101 50 0 GKAARM CC[C@](C)(c1ccccc1)[C@@H](OC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000003136888 220606342 /nfs/dbraw/zinc/60/63/42/220606342.db2.gz KUZKJQKIQSRWRK-WIOPSUGQSA-N -1 0 388.463 5.651 50 0 GKAARM COc1cc(/C=C/c2nc3c(ccc4ccccc34)s2)ccc1OCC(=O)[O-] ZINC000007745895 221009279 /nfs/dbraw/zinc/00/92/79/221009279.db2.gz KLZMZXPXNKQLIR-YRNVUSSQSA-N -1 0 391.448 5.092 50 0 GKAARM O=C([O-])c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000007604026 221001851 /nfs/dbraw/zinc/00/18/51/221001851.db2.gz IVAZKUUGZNOXTB-UHFFFAOYSA-N -1 0 376.033 5.033 50 0 GKAARM O=C([O-])CS/C(=C\c1ccc2ccccc2c1)c1nc2ccccc2s1 ZINC000007911919 221015946 /nfs/dbraw/zinc/01/59/46/221015946.db2.gz DYMSAIKHYBWBLL-UNOMPAQXSA-N -1 0 377.490 5.765 50 0 GKAARM O=C([O-])c1sc2cccc(F)c2c1CSc1nnc(C2CCCCC2)o1 ZINC000013398349 221267733 /nfs/dbraw/zinc/26/77/33/221267733.db2.gz ZFMOVQUFHLUOBG-UHFFFAOYSA-N -1 0 392.477 5.462 50 0 GKAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(-c2cccc3ccccc32)cc1)C(=O)[O-] ZINC000014632738 221313248 /nfs/dbraw/zinc/31/32/48/221313248.db2.gz FFMFZQISJICJAI-NRFANRHFSA-N -1 0 391.467 5.027 50 0 GKAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@H]2c1ccc(Cl)cc1 ZINC000015081452 221332310 /nfs/dbraw/zinc/33/23/10/221332310.db2.gz HLPVWJHRYHWEQW-AWEZNQCLSA-N -1 0 383.856 5.241 50 0 GKAARM CC1CCN(c2ccc(Nc3c(C(=O)[O-])cnc4ccc(Cl)cc43)cc2)CC1 ZINC000005009095 136194489 /nfs/dbraw/zinc/19/44/89/136194489.db2.gz AHVJRMYAMNXJEA-UHFFFAOYSA-N -1 0 395.890 5.566 50 0 GKAARM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC[C@](C)(CCC(=O)[O-])[C@H]3CC[C@@]21C ZINC000257350376 209081114 /nfs/dbraw/zinc/08/11/14/209081114.db2.gz WWVQLMQJZZQLPX-PXUVJKRXSA-N -1 0 390.652 7.563 50 0 GKAARM O=C([O-])c1c2c(nc3ccccc31)/C(=C\c1cccc(Oc3ccccc3)c1)CC2 ZINC000033888661 221797674 /nfs/dbraw/zinc/79/76/74/221797674.db2.gz QSWDAWGZMHQXGM-SDXDJHTJSA-N -1 0 393.442 6.212 50 0 GKAARM O=C([O-])c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1 ZINC000043015507 221947314 /nfs/dbraw/zinc/94/73/14/221947314.db2.gz WVSBGSNVCDAMCF-UHFFFAOYSA-N -1 0 382.463 6.253 50 0 in-vivo GKAARM Cc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)cc1 ZINC000064795492 222081528 /nfs/dbraw/zinc/08/15/28/222081528.db2.gz BJWRNSBGMQLGPJ-HNNXBMFYSA-N -1 0 397.883 5.549 50 0 GKAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@H]2c1ccccc1Cl ZINC000064795385 222081549 /nfs/dbraw/zinc/08/15/49/222081549.db2.gz UHGBNDMVCKDTOE-CYBMUJFWSA-N -1 0 383.856 5.241 50 0 GKAARM Cc1ccc(-c2c(C(=O)[O-])sc3c2NC(=O)C[C@@H]3c2cccc(F)c2)cc1 ZINC000064796173 222082055 /nfs/dbraw/zinc/08/20/55/222082055.db2.gz ZJELVQZPBMPWFV-OAHLLOKOSA-N -1 0 381.428 5.035 50 0 GKAARM Cc1ccccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1cccc(F)c1 ZINC000064797264 222082293 /nfs/dbraw/zinc/08/22/93/222082293.db2.gz PPYIQXXJNGIEIC-HNNXBMFYSA-N -1 0 381.428 5.035 50 0 GKAARM COc1cc(OC)c(C(=O)CCC(=O)[O-])cc1CCCCCC1CCCCC1 ZINC000071770725 222195715 /nfs/dbraw/zinc/19/57/15/222195715.db2.gz IHSFHFBCKIDYGT-UHFFFAOYSA-N -1 0 390.520 5.435 50 0 GKAARM Cc1cc([O-])c(C2=Nc3ccccc3N[C@H](c3ccc(C(C)C)cc3)C2)c(=O)o1 ZINC000071782816 222197557 /nfs/dbraw/zinc/19/75/57/222197557.db2.gz FVCSRDLZRPYOMX-FQEVSTJZSA-N -1 0 388.467 5.455 50 0 GKAARM O=C([O-])c1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000004819041 570240976 /nfs/dbraw/zinc/24/09/76/570240976.db2.gz YGUIVRQRHALVLK-UHFFFAOYSA-N -1 0 379.026 5.251 50 0 GKAARM O=C([O-])c1ccc(Sc2ccc(OCc3ccc4ccccc4n3)cc2)cc1 ZINC000001548659 570270754 /nfs/dbraw/zinc/27/07/54/570270754.db2.gz LUJVBUZNMXMQRK-UHFFFAOYSA-N -1 0 387.460 5.663 50 0 GKAARM CC(C)Oc1ccc(COc2ccc([C@H](C)C(=O)[O-])cc2Cl)cc1Cl ZINC000045068602 570272120 /nfs/dbraw/zinc/27/21/20/570272120.db2.gz XBPWSJHHYNLTNF-LBPRGKRZSA-N -1 0 383.271 5.548 50 0 GKAARM O=C([O-])c1cc(-c2ccc(Cl)cc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000020615908 570272649 /nfs/dbraw/zinc/27/26/49/570272649.db2.gz GEHVKNOSWCHMLU-UHFFFAOYSA-N -1 0 384.222 5.068 50 0 GKAARM CCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2cccc(C)c2C)c1=O ZINC000100658360 570274251 /nfs/dbraw/zinc/27/42/51/570274251.db2.gz DIQIKBWJROKCCW-UHFFFAOYSA-N -1 0 392.499 5.157 50 0 GKAARM O=C([O-])c1ccccc1Nc1nc(-c2ccccc2)c2c(n1)-c1ccccc1CC2 ZINC000002291761 570281253 /nfs/dbraw/zinc/28/12/53/570281253.db2.gz SBAMHYKRIFKAES-UHFFFAOYSA-N -1 0 393.446 5.351 50 0 GKAARM [O-]c1ccccc1-c1nc2ccccc2c(Nc2ccc(Br)cc2)n1 ZINC000002301075 570281638 /nfs/dbraw/zinc/28/16/38/570281638.db2.gz VLMNZHMSHUQRSS-UHFFFAOYSA-N -1 0 392.256 5.509 50 0 GKAARM [O-]c1ccccc1-c1nc2ccccc2c(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000002308512 570281853 /nfs/dbraw/zinc/28/18/53/570281853.db2.gz QEUXLQHTEPYRQP-UHFFFAOYSA-N -1 0 382.250 6.053 50 0 GKAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Br)cc2)c1 ZINC000002506831 570289365 /nfs/dbraw/zinc/28/93/65/570289365.db2.gz APLDOGUHCNVFLZ-UHFFFAOYSA-N -1 0 388.648 5.530 50 0 GKAARM O=C([O-])c1c2ccccc2nc(-c2ccccc2)c1Sc1ccc(Cl)cc1 ZINC000002576531 570291259 /nfs/dbraw/zinc/29/12/59/570291259.db2.gz XRMHHPBUOZINSS-UHFFFAOYSA-N -1 0 391.879 6.405 50 0 GKAARM O=C([O-])[C@H]1c2ccccc2C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000002585577 570291535 /nfs/dbraw/zinc/29/15/35/570291535.db2.gz APWDGIQCCPTEDA-PMACEKPBSA-N -1 0 383.875 5.038 50 0 GKAARM CCOc1ccc(/C=C/c2cc(C(=O)[O-])c3cc(Br)ccc3n2)cc1 ZINC000022151020 570306746 /nfs/dbraw/zinc/30/67/46/570306746.db2.gz RJJIHNIGKRZZLL-XVNBXDOJSA-N -1 0 398.256 5.265 50 0 GKAARM S=c1[n-]nc2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)nn12 ZINC000003129022 570329704 /nfs/dbraw/zinc/32/97/04/570329704.db2.gz ZNOOVZHUWBQVMJ-UHFFFAOYSA-N -1 0 380.476 5.788 50 0 GKAARM Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000004865407 570351290 /nfs/dbraw/zinc/35/12/90/570351290.db2.gz UQSAHXBQMPWELU-UHFFFAOYSA-N -1 0 398.484 5.212 50 0 GKAARM O=C([O-])c1ccccc1-c1ccc(Cn2cnc3cc(Cl)c(Cl)cc32)cc1 ZINC000006257859 570352085 /nfs/dbraw/zinc/35/20/85/570352085.db2.gz SKUURKZVSQKWSW-UHFFFAOYSA-N -1 0 397.261 5.757 50 0 GKAARM O=C([O-])c1c2c(nc3ccccc31)/C(=C/c1cccc(Oc3ccccc3)c1)CC2 ZINC000003885049 570353272 /nfs/dbraw/zinc/35/32/72/570353272.db2.gz QSWDAWGZMHQXGM-OBGWFSINSA-N -1 0 393.442 6.212 50 0 GKAARM O=C([O-])[C@H]1c2ccccc2C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000003883408 570353277 /nfs/dbraw/zinc/35/32/77/570353277.db2.gz APWDGIQCCPTEDA-VQTJNVASSA-N -1 0 383.875 5.038 50 0 GKAARM O=C([O-])c1ccccc1S[C@H](CC(=O)c1cccc(F)c1)c1ccc(F)cc1 ZINC000004371392 570371906 /nfs/dbraw/zinc/37/19/06/570371906.db2.gz NNQANFFNZRNIEW-OAQYLSRUSA-N -1 0 398.430 5.769 50 0 GKAARM O=C([O-])c1ccc(Cl)cc1NC(=O)COc1ccc(C2CCCCC2)cc1 ZINC000004672285 570392156 /nfs/dbraw/zinc/39/21/56/570392156.db2.gz KJDVZCHWSBJHKF-UHFFFAOYSA-N -1 0 387.863 5.103 50 0 GKAARM Cc1csc(-c2csc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)c2)n1 ZINC000033297632 570405346 /nfs/dbraw/zinc/40/53/46/570405346.db2.gz IYNCFBWFZCPVSK-UHFFFAOYSA-N -1 0 378.544 5.104 50 0 GKAARM O=C([O-])CC/C(=C/c1cccc(Br)c1)c1nc2ccccc2s1 ZINC000033659667 570409128 /nfs/dbraw/zinc/40/91/28/570409128.db2.gz BJOQFLDBFBFAIX-RAXLEYEMSA-N -1 0 388.286 5.464 50 0 GKAARM COc1ccc2sc([N-]c3nc4ccc5nc(C)sc5c4s3)nc2c1 ZINC000005122741 570420837 /nfs/dbraw/zinc/42/08/37/570420837.db2.gz GOTCHWPISWQEIU-UHFFFAOYSA-N -1 0 384.511 5.576 50 0 GKAARM CCc1ccc2nc(-c3ccc(-c4ccc([C@H](C)CC)cc4)o3)cc(C(=O)[O-])c2c1 ZINC000001790034 570425100 /nfs/dbraw/zinc/42/51/00/570425100.db2.gz YXLWSJCHLJFTCE-MRXNPFEDSA-N -1 0 399.490 6.936 50 0 GKAARM O=C([O-])[C@H](N=c1cc(-c2ccccc2)oc2ccc(Cl)cc21)c1ccccc1 ZINC000001892099 570438799 /nfs/dbraw/zinc/43/87/99/570438799.db2.gz STADGCXAPKVVAH-JOCHJYFZSA-N -1 0 389.838 5.480 50 0 GKAARM CCCc1cc(=O)n2[n-]c(Cc3ccccc3)c(-c3cccc4ccccc43)c2n1 ZINC000005564109 570446429 /nfs/dbraw/zinc/44/64/29/570446429.db2.gz MRZHTCDUOLHGGQ-UHFFFAOYSA-N -1 0 393.490 5.386 50 0 GKAARM Cc1ccc(-n2c(CCn3c4ccccc4c4c3CCCC4)n[n-]c2=S)cc1 ZINC000005584165 570447913 /nfs/dbraw/zinc/44/79/13/570447913.db2.gz MKIVBLOEALYQGQ-UHFFFAOYSA-N -1 0 388.540 5.315 50 0 GKAARM Cc1cc(C=Nc2ccc(C(=O)[O-])cc2)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000252610540 570454495 /nfs/dbraw/zinc/45/44/95/570454495.db2.gz ICHZUTGBSSOTGW-UHFFFAOYSA-N -1 0 394.474 6.210 50 0 GKAARM CC(C)(C)[C@@H]1CCc2c(sc3[n-]c(=S)n(C4CCCCC4)c(=O)c23)C1 ZINC000006129986 570467000 /nfs/dbraw/zinc/46/70/00/570467000.db2.gz RVIUDUUNDGOKFT-GFCCVEGCSA-N -1 0 376.591 5.777 50 0 GKAARM O=c1cc(OCc2c(F)cccc2Cl)cc2oc(-c3ccccc3)cc([O-])c1-2 ZINC000006230908 570472489 /nfs/dbraw/zinc/47/24/89/570472489.db2.gz YTUYDLDLDVQIME-UHFFFAOYSA-N -1 0 396.801 5.537 50 0 biogenic GKAARM Cc1sc2[n-]c(=S)n(Cc3ccccc3)c(=O)c2c1-c1cccc(Cl)c1 ZINC000006566875 570483553 /nfs/dbraw/zinc/48/35/53/570483553.db2.gz LYOVYJIRYYVLAK-UHFFFAOYSA-N -1 0 398.940 5.798 50 0 GKAARM Cc1sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])nc1-c1ccc(C)c(C)c1 ZINC000002735875 570512066 /nfs/dbraw/zinc/51/20/66/570512066.db2.gz PFNAAIWWLHWYAV-QZTJIDSGSA-N -1 0 398.528 5.121 50 0 GKAARM [O-]c1ccccc1-c1nc2ccccc2c(Oc2cccc(C(F)(F)F)c2)n1 ZINC000005254233 570529946 /nfs/dbraw/zinc/52/99/46/570529946.db2.gz BZAGYGVYUZIXSA-UHFFFAOYSA-N -1 0 382.341 5.814 50 0 GKAARM CCCCCCOC(=O)c1ccccc1C(=O)c1ccc(N(CC)CC)cc1[O-] ZINC000034230491 570532792 /nfs/dbraw/zinc/53/27/92/570532792.db2.gz FDATWRLUYRHCJE-UHFFFAOYSA-N -1 0 397.515 5.207 50 0 world GKAARM Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4C(=O)[O-])cc3)sc2c1 ZINC000000754746 570535939 /nfs/dbraw/zinc/53/59/39/570535939.db2.gz JJQPXZDWOBGYJV-UHFFFAOYSA-N -1 0 388.448 5.222 50 0 GKAARM CC(C)c1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1 ZINC000064795395 570546357 /nfs/dbraw/zinc/54/63/57/570546357.db2.gz ZZKDIEPIGFJLBZ-QGZVFWFLSA-N -1 0 391.492 5.711 50 0 GKAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@H]2c1ccccc1Cl ZINC000064795382 570546427 /nfs/dbraw/zinc/54/64/27/570546427.db2.gz UHGBNDMVCKDTOE-ZDUSSCGKSA-N -1 0 383.856 5.241 50 0 GKAARM Cc1ccc(-c2c(C(=O)[O-])sc3c2NC(=O)C[C@@H]3c2ccc(F)cc2F)cc1 ZINC000064796149 570546765 /nfs/dbraw/zinc/54/67/65/570546765.db2.gz JFEWOIBPXXLQFN-CQSZACIVSA-N -1 0 399.418 5.174 50 0 GKAARM COc1cccc(-c2nc3ccccc3c(Oc3cccc(Cl)c3)n2)c1[O-] ZINC000005533313 570627898 /nfs/dbraw/zinc/62/78/98/570627898.db2.gz JQXPVAQAXJYUSN-UHFFFAOYSA-N -1 0 378.815 5.457 50 0 GKAARM CCc1cccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)c1 ZINC000065004431 570644305 /nfs/dbraw/zinc/64/43/05/570644305.db2.gz UMOUYNJBQUIYAD-UHFFFAOYSA-N -1 0 388.514 5.034 50 0 GKAARM COc1cccc(-c2nc3ccccc3c(Oc3ccc(C)cc3Cl)n2)c1[O-] ZINC000005561680 570648291 /nfs/dbraw/zinc/64/82/91/570648291.db2.gz IYSCOSJKXPWJMD-UHFFFAOYSA-N -1 0 392.842 5.765 50 0 GKAARM COc1cccc(-c2nc3ccccc3c(Oc3ccccc3Cl)n2)c1[O-] ZINC000005576509 570659354 /nfs/dbraw/zinc/65/93/54/570659354.db2.gz FMXNZXLQVWXGQU-UHFFFAOYSA-N -1 0 378.815 5.457 50 0 GKAARM COc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1)oc1ccccc12 ZINC000005602511 570667714 /nfs/dbraw/zinc/66/77/14/570667714.db2.gz VTPVGVFOIVMSNT-UHFFFAOYSA-N -1 0 395.480 5.519 50 0 GKAARM COc1cccc([C@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3ccccc3S2)c1 ZINC000005612105 570668663 /nfs/dbraw/zinc/66/86/63/570668663.db2.gz TWLXYYSTPFJSLI-HXUWFJFHSA-N -1 0 393.464 5.020 50 0 biogenic GKAARM O=C([O-])c1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1 ZINC000012651121 570694958 /nfs/dbraw/zinc/69/49/58/570694958.db2.gz PWMITERXCIMRAY-UHFFFAOYSA-N -1 0 380.447 5.184 50 0 GKAARM S=c1[n-]nc(C23CC4CC(CC(C4)C2)C3)n1-c1cc(Cl)cc(Cl)c1 ZINC000004623869 570701287 /nfs/dbraw/zinc/70/12/87/570701287.db2.gz ABSREEBFTAUWFL-UHFFFAOYSA-N -1 0 380.344 5.704 50 0 GKAARM Cc1ccc2nc(-c3cc(Br)c([O-])c(Br)c3)sc2c1 ZINC000002371708 570719841 /nfs/dbraw/zinc/71/98/41/570719841.db2.gz ZAJDJDZCXJUFBZ-UHFFFAOYSA-N -1 0 399.107 5.502 50 0 GKAARM O=C([O-])c1cc(-c2ccc(-c3ccccc3C(F)(F)F)o2)nc2ccccc21 ZINC000000934717 570727243 /nfs/dbraw/zinc/72/72/43/570727243.db2.gz HTCSGBIHKIFSKO-UHFFFAOYSA-N -1 0 383.325 5.879 50 0 GKAARM CC(C)(C)[C@@H]1CCc2oc3ccc([N-]S(=O)(=O)c4cccs4)cc3c2C1 ZINC000000944469 570734250 /nfs/dbraw/zinc/73/42/50/570734250.db2.gz SSIITVQMCCAEOU-CYBMUJFWSA-N -1 0 389.542 5.446 50 0 GKAARM CC(C)c1nnc(SCc2c(C(=O)[O-])sc3cccc(F)c32)n1C1CC1 ZINC000012985735 570737211 /nfs/dbraw/zinc/73/72/11/570737211.db2.gz FWWVQEUEHXJMRE-UHFFFAOYSA-N -1 0 391.493 5.081 50 0 GKAARM Cc1cc([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(F)cc3)C2)c(=O)o1 ZINC000013122482 570747461 /nfs/dbraw/zinc/74/74/61/570747461.db2.gz GLGGDGYWFOUPEA-IBGZPJMESA-N -1 0 381.428 5.151 50 0 GKAARM Cc1cccc(NC(=O)c2cccc(OC(=S)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000001052234 570748908 /nfs/dbraw/zinc/74/89/08/570748908.db2.gz XDQMQVQFCUMNKJ-UHFFFAOYSA-N -1 0 396.899 5.677 50 0 GKAARM Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cs1 ZINC000206908870 570755374 /nfs/dbraw/zinc/75/53/74/570755374.db2.gz QTPZLWXTJFNGHB-UHFFFAOYSA-N -1 0 399.324 5.226 50 0 GKAARM O=C([O-])c1cc(-c2ccc(Cl)c(Cl)c2)nc2onc(-c3ccccc3)c21 ZINC000036617498 570755511 /nfs/dbraw/zinc/75/55/11/570755511.db2.gz IJVYGRAXFVPZAG-UHFFFAOYSA-N -1 0 385.206 5.562 50 0 GKAARM CCOc1ccc(-c2csc(NC(=O)c3cccc(C)c3)c2C(=O)[O-])cc1 ZINC000004477047 570795166 /nfs/dbraw/zinc/79/51/66/570795166.db2.gz CTXIRFUBPKAMBD-UHFFFAOYSA-N -1 0 381.453 5.073 50 0 GKAARM O=c1c2cc(Cc3ccccc3)sc2[n-]c(=S)n1CCC1=CCCCC1 ZINC000005888449 570800566 /nfs/dbraw/zinc/80/05/66/570800566.db2.gz IBEBGLPLIUYDSF-UHFFFAOYSA-N -1 0 382.554 5.602 50 0 GKAARM O=C([O-])CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 ZINC000004494285 570810883 /nfs/dbraw/zinc/81/08/83/570810883.db2.gz ABEOIPCDJQHKDN-UHFFFAOYSA-N -1 0 386.476 5.383 50 0 GKAARM O=S(=O)([N-]c1cccc(-c2ccc3ccccc3n2)c1)c1ccccc1Cl ZINC000033113826 570812349 /nfs/dbraw/zinc/81/23/49/570812349.db2.gz KVRKEJSWCHCWSG-UHFFFAOYSA-N -1 0 394.883 5.356 50 0 GKAARM Cc1ccc2nc(-c3ccccc3[N-]S(=O)(=O)c3cccc(F)c3)ccc2c1 ZINC000033113763 570812426 /nfs/dbraw/zinc/81/24/26/570812426.db2.gz HAIRKISPJUNEIU-UHFFFAOYSA-N -1 0 392.455 5.150 50 0 GKAARM O=S(=O)([N-]c1ccccc1Sc1ccccc1)c1ccc(Cl)s1 ZINC000014223146 570831102 /nfs/dbraw/zinc/83/11/02/570831102.db2.gz GENCNGHUCBWCOK-UHFFFAOYSA-N -1 0 381.931 5.354 50 0 GKAARM CCCCc1ccc2nc(-c3ccc(-c4ccc(F)cc4)o3)cc(C(=O)[O-])c2c1 ZINC000004717605 570856681 /nfs/dbraw/zinc/85/66/81/570856681.db2.gz FXWHMTQMORIXLU-UHFFFAOYSA-N -1 0 389.426 6.342 50 0 GKAARM CCc1cccc2c(C(=O)[O-])cc(-c3ccc(-c4ccccc4Cl)o3)nc12 ZINC000004724018 570862851 /nfs/dbraw/zinc/86/28/51/570862851.db2.gz XZGNQYMRDORKLS-UHFFFAOYSA-N -1 0 377.827 6.076 50 0 GKAARM O=C(c1cnc2c(c1)c(-c1ccccc1)nn2-c1ccccc1)c1ccccc1[O-] ZINC000003426107 570866468 /nfs/dbraw/zinc/86/64/68/570866468.db2.gz KUXWWNNTBYPAOT-UHFFFAOYSA-N -1 0 391.430 5.024 50 0 GKAARM CCCCCn1c(=O)c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2[n-]c1=S ZINC000003631139 570879651 /nfs/dbraw/zinc/87/96/51/570879651.db2.gz MQIINEPLOKQREF-UHFFFAOYSA-N -1 0 395.528 5.118 50 0 GKAARM O=C([O-])c1cc2cc(NC(=O)c3[nH]c4ccc(F)cc4c3Cl)ccc2s1 ZINC000097018469 570886586 /nfs/dbraw/zinc/88/65/86/570886586.db2.gz SRPHUWVCMNJSEY-UHFFFAOYSA-N -1 0 388.807 5.126 50 0 GKAARM O=C1c2ccccc2C([O-])=C1c1cc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000004494706 570935289 /nfs/dbraw/zinc/93/52/89/570935289.db2.gz TZRMETCNGAMLTB-UHFFFAOYSA-N -1 0 375.427 6.038 50 0 GKAARM O=c1c2cc(-c3ccccc3)sc2[n-]c(=S)n1CCc1ccc(F)cc1 ZINC000017078103 570939419 /nfs/dbraw/zinc/93/94/19/570939419.db2.gz ZEKLZYPRUSDDMT-UHFFFAOYSA-N -1 0 382.485 5.169 50 0 GKAARM CCOc1ccc(/C=C\c2cc(C(=O)[O-])c3cc(Br)ccc3n2)cc1 ZINC000083303066 570957285 /nfs/dbraw/zinc/95/72/85/570957285.db2.gz RJJIHNIGKRZZLL-CLTKARDFSA-N -1 0 398.256 5.265 50 0 GKAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c(C)s2)sc1C ZINC000033290085 570960831 /nfs/dbraw/zinc/96/08/31/570960831.db2.gz XMWIHMHVPYEYKH-UHFFFAOYSA-N -1 0 396.534 5.045 50 0 GKAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)c2)sc1C ZINC000033297649 570961956 /nfs/dbraw/zinc/96/19/56/570961956.db2.gz NZZWVEAJJFJLCJ-UHFFFAOYSA-N -1 0 398.962 5.251 50 0 GKAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3cccc(C(C)C)c3)c2)sc1C ZINC000033297660 570962034 /nfs/dbraw/zinc/96/20/34/570962034.db2.gz OEDYMOYTQOLIQN-UHFFFAOYSA-N -1 0 392.571 5.413 50 0 GKAARM [O-]c1ccccc1-c1nc2ccccc2c(Oc2ccc(Cl)c3ccccc23)n1 ZINC000002205910 571004384 /nfs/dbraw/zinc/00/43/84/571004384.db2.gz CIFVIXKVBCSBAI-UHFFFAOYSA-N -1 0 398.849 6.601 50 0 GKAARM O=C([O-])CC/C(=C/c1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 ZINC000089874955 230957395 /nfs/dbraw/zinc/95/73/95/230957395.db2.gz CMDPUCYRYWDBRL-RAXLEYEMSA-N -1 0 377.387 5.721 50 0 GKAARM Cc1ccc(SCc2cccc(C(=O)NCCCCCCC(=O)[O-])c2)c(C)c1 ZINC000012891470 210024071 /nfs/dbraw/zinc/02/40/71/210024071.db2.gz HUUNYLFFPZFCIS-UHFFFAOYSA-N -1 0 399.556 5.361 50 0 GKAARM O=c1nc(-c2ccc(Cl)cc2)nc(SCc2c(Cl)cccc2Cl)[n-]1 ZINC000005176238 209577420 /nfs/dbraw/zinc/57/74/20/209577420.db2.gz MZUUQAFIAVCPKL-UHFFFAOYSA-N -1 0 398.702 5.497 50 0 GKAARM CCC1(CC)O[C@@H](c2ccc(-c3ccc(C(=O)[O-])cc3)o2)Nc2ccccc21 ZINC000004708440 209514971 /nfs/dbraw/zinc/51/49/71/209514971.db2.gz GALZZLLSFLZMKS-NRFANRHFSA-N -1 0 377.440 5.801 50 0 GKAARM CCC1(CC)O[C@H](c2ccc(-c3ccc(C(=O)[O-])cc3)o2)Nc2ccccc21 ZINC000004708442 209515004 /nfs/dbraw/zinc/51/50/04/209515004.db2.gz GALZZLLSFLZMKS-OAQYLSRUSA-N -1 0 377.440 5.801 50 0 GKAARM Cc1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])nc1-c1ccc(C(C)C)cc1 ZINC000002737965 209380722 /nfs/dbraw/zinc/38/07/22/209380722.db2.gz WRLKXLRPWMGSRF-SJORKVTESA-N -1 0 386.517 5.071 50 0 GKAARM CC(C)(C)c1ccc(-c2csc(NC(=O)/C=C\c3ccco3)c2C(=O)[O-])cc1 ZINC000002679689 209376814 /nfs/dbraw/zinc/37/68/14/209376814.db2.gz SQIDEZDVMIUOFE-KHPPLWFESA-N -1 0 395.480 5.656 50 0 GKAARM Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CCC(=O)[O-])c(=O)oc12 ZINC000002140458 209347221 /nfs/dbraw/zinc/34/72/21/209347221.db2.gz UIWDQXWMFKAHRL-UHFFFAOYSA-N -1 0 396.826 5.494 50 0 biogenic GKAARM CCc1ccc2nc(-c3ccc(-c4ccc([C@@H](C)CC)cc4)o3)cc(C(=O)[O-])c2c1 ZINC000001790033 209340038 /nfs/dbraw/zinc/34/00/38/209340038.db2.gz YXLWSJCHLJFTCE-INIZCTEOSA-N -1 0 399.490 6.936 50 0 GKAARM CC(C)(C)c1ccc(-c2nc3ccccc3c(Nc3cccc(C(=O)[O-])c3)n2)cc1 ZINC000001756694 209338844 /nfs/dbraw/zinc/33/88/44/209338844.db2.gz FUNUMXBFOGEJLU-UHFFFAOYSA-N -1 0 397.478 6.036 50 0 GKAARM O=C([O-])c1cnc(-c2ccccc2)nc1Sc1ccc(Cl)cc1Cl ZINC000001386417 209325876 /nfs/dbraw/zinc/32/58/76/209325876.db2.gz OQCKAZARIUTXKW-UHFFFAOYSA-N -1 0 377.252 5.300 50 0 GKAARM CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])cc2)cc1 ZINC000000991650 209286224 /nfs/dbraw/zinc/28/62/24/209286224.db2.gz GEKMGXOSWJZGLZ-SFTDATJTSA-N -1 0 393.483 5.382 50 0 GKAARM O=C([O-])[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccccc1 ZINC000000944016 209282620 /nfs/dbraw/zinc/28/26/20/209282620.db2.gz SGUROLTYKJSAER-NRFANRHFSA-N -1 0 387.460 5.927 50 0 GKAARM CC[C@@H](C)c1ccc(-c2ccc(-c3cc(C(=O)[O-])c4cc(C)ccc4n3)o2)cc1 ZINC000000934723 209280250 /nfs/dbraw/zinc/28/02/50/209280250.db2.gz FYSRTNQMJDZNLT-MRXNPFEDSA-N -1 0 385.463 6.682 50 0 GKAARM CC(C)c1ccc(-c2csc(NC(=O)/C=C/c3cccs3)c2C(=O)[O-])cc1 ZINC000000707017 209260197 /nfs/dbraw/zinc/26/01/97/209260197.db2.gz NUBTZHGLDVEDHX-MDZDMXLPSA-N -1 0 397.521 5.950 50 0 GKAARM CC(C)Oc1ccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)cc1 ZINC000000647042 209255439 /nfs/dbraw/zinc/25/54/39/209255439.db2.gz XMBQRSOISWKIPZ-UHFFFAOYSA-N -1 0 386.245 5.150 50 0 GKAARM Cc1nn(-c2ccccc2)c(C)c1/C=C(/CC(=O)[O-])c1nc2ccccc2s1 ZINC000033462838 209243602 /nfs/dbraw/zinc/24/36/02/209243602.db2.gz WFDSXZSHBFILPE-VBKFSLOCSA-N -1 0 389.480 5.114 50 0 GKAARM Cc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(O)cc3[O-])n2)c(C)c1 ZINC000001995241 212262170 /nfs/dbraw/zinc/26/21/70/212262170.db2.gz FROCQMFXPIROOK-UHFFFAOYSA-N -1 0 397.478 5.517 50 0 GKAARM Clc1nc([N-]c2nc(-c3ccccc3)cs2)nc(Oc2ccccc2)n1 ZINC000000987773 212202979 /nfs/dbraw/zinc/20/29/79/212202979.db2.gz GAQPYARNROVAJY-UHFFFAOYSA-N -1 0 381.848 5.184 50 0 GKAARM CCc1ccc(-c2ccc(-c3cc(C(=O)[O-])c4cc(Cl)ccc4n3)o2)cc1 ZINC000000934730 212196817 /nfs/dbraw/zinc/19/68/17/212196817.db2.gz WJQCEYFCCMPZFJ-UHFFFAOYSA-N -1 0 377.827 6.076 50 0 GKAARM C[C@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000006199995 212117671 /nfs/dbraw/zinc/11/76/71/212117671.db2.gz CUCGZTLXMQARJT-HLVNSREUSA-N -1 0 398.289 6.363 50 0 GKAARM O=C([O-])c1cc(-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc2ccccc21 ZINC000000934718 203865867 /nfs/dbraw/zinc/86/58/67/203865867.db2.gz RDBSBWUAEAZVJS-UHFFFAOYSA-N -1 0 384.218 6.167 50 0 GKAARM CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc2)cc1 ZINC000000991648 203871774 /nfs/dbraw/zinc/87/17/74/203871774.db2.gz GEKMGXOSWJZGLZ-LEWJYISDSA-N -1 0 393.483 5.382 50 0 GKAARM O=C([O-])c1cccc(NC(=O)c2sc3cc(OC(F)F)ccc3c2Cl)c1 ZINC000002793091 203963737 /nfs/dbraw/zinc/96/37/37/203963737.db2.gz KOPFSAPNWUBOCN-UHFFFAOYSA-N -1 0 397.786 5.107 50 0 GKAARM CC1=C(C)C[C@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)[C@@H](C(=O)[O-])C1 ZINC000004381326 204042280 /nfs/dbraw/zinc/04/22/80/204042280.db2.gz GROFMWXXTZGLAX-PMACEKPBSA-N -1 0 399.874 5.518 50 0 GKAARM O=C([O-])c1ccc(N[C@H](CC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000003633779 204017458 /nfs/dbraw/zinc/01/74/58/204017458.db2.gz CBFFEZKPBYCWLT-HXUWFJFHSA-N -1 0 379.843 5.464 50 0 GKAARM COc1cccc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)[O-])c1OC ZINC000003886078 204021530 /nfs/dbraw/zinc/02/15/30/204021530.db2.gz FBYDLGAYDZRFSK-LBFFYKKLSA-N -1 0 389.451 5.073 50 0 GKAARM CCCCCCc1cc2cc(C(=O)Nc3ccc(Cl)cc3)c(=N)oc2cc1O ZINC000004772856 204074497 /nfs/dbraw/zinc/07/44/97/204074497.db2.gz CFJLRXZJBIEEHM-UHFFFAOYSA-N -1 0 398.890 5.646 50 0 GKAARM CCCCCCC1CCC(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1 ZINC000004872897 204084350 /nfs/dbraw/zinc/08/43/50/204084350.db2.gz OAPLXKOJCXRGSJ-RWWKDMOOSA-N -1 0 398.547 5.057 50 0 biogenic GKAARM O=C([O-])c1cc(-c2ccc(-c3ccccc3Br)o2)nc2ccccc21 ZINC000005234064 204120698 /nfs/dbraw/zinc/12/06/98/204120698.db2.gz YMHJUSHCCYGFRR-UHFFFAOYSA-N -1 0 394.224 5.623 50 0 GKAARM Cc1ccc(-c2onc3ccc(-c4cc(C(=O)[O-])c5cccc(C)c5n4)cc32)cc1 ZINC000005014247 204102271 /nfs/dbraw/zinc/10/22/71/204102271.db2.gz FOPOZTDQSGOYJI-UHFFFAOYSA-N -1 0 394.430 6.025 50 0 GKAARM CCCCC[C@@H](O)c1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)[O-])cc1 ZINC000005821029 204152868 /nfs/dbraw/zinc/15/28/68/204152868.db2.gz XMQKDOCUWFCMEJ-YPAWHYETSA-N -1 0 388.548 5.788 50 0 in-vitro GKAARM COc1ccc2ccccc2c1/C=C(\CC(=O)[O-])c1nc2ccccc2s1 ZINC000005955658 204159313 /nfs/dbraw/zinc/15/93/13/204159313.db2.gz KIMYVCWKROYLSE-NTCAYCPXSA-N -1 0 375.449 5.473 50 0 GKAARM CCCCOc1ccc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000006079008 204163781 /nfs/dbraw/zinc/16/37/81/204163781.db2.gz AGTRTBPUYICXSH-BMRADRMJSA-N -1 0 381.497 5.881 50 0 GKAARM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C\c1ccc(OC(F)F)cc1 ZINC000006079214 204163803 /nfs/dbraw/zinc/16/38/03/204163803.db2.gz KALDDSYHOFURCX-WYMLVPIESA-N -1 0 381.378 5.411 50 0 GKAARM O=c1cc(-c2ccccc2)oc2cc(OCc3ccccc3Cl)cc([O-])c12 ZINC000005528250 204137697 /nfs/dbraw/zinc/13/76/97/204137697.db2.gz SECDOUGPAGZXBJ-UHFFFAOYSA-N -1 0 378.811 5.398 50 0 biogenic GKAARM CCOC(=O)Cc1sc([N-]c2nc3ccccc3s2)nc1-c1ccccc1 ZINC000006721529 204194009 /nfs/dbraw/zinc/19/40/09/204194009.db2.gz SJLXXPKXKKLAIK-UHFFFAOYSA-N -1 0 395.509 5.269 50 0 GKAARM Cc1[n-]n2c(nc(CSc3ccc(C)cc3)cc2=O)c1-c1cccc(Cl)c1 ZINC000009936218 204326912 /nfs/dbraw/zinc/32/69/12/204326912.db2.gz MNCWJKSCTBIEQD-UHFFFAOYSA-N -1 0 395.915 5.664 50 0 GKAARM O=C([O-])c1cc(Cl)c(OCc2csc(-c3ccccc3)n2)c(Cl)c1 ZINC000012761247 204443262 /nfs/dbraw/zinc/44/32/62/204443262.db2.gz MJZVDEIIDXQOFP-UHFFFAOYSA-N -1 0 380.252 5.394 50 0 GKAARM O=C([O-])C[C@H](NC(=O)c1ccc(C2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000013175637 204483961 /nfs/dbraw/zinc/48/39/61/204483961.db2.gz SESHIXYYZODXGT-FQEVSTJZSA-N -1 0 385.891 5.334 50 0 GKAARM Cc1cccc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[O-])c1 ZINC000000641858 209167560 /nfs/dbraw/zinc/16/75/60/209167560.db2.gz RFKCOSGRKIRLOB-UHFFFAOYSA-N -1 0 393.053 5.559 50 0 GKAARM O=C([O-])c1ccccc1Nc1ccc(CCc2ccc(Cl)c(Cl)c2)cc1 ZINC000013829437 204514513 /nfs/dbraw/zinc/51/45/13/204514513.db2.gz ZCQOSCDABPVAFB-UHFFFAOYSA-N -1 0 386.278 6.220 50 0 in-vitro GKAARM CC1(C)[C@H](C(=O)[O-])CC[C@]1(C)C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000018191937 204616816 /nfs/dbraw/zinc/61/68/16/204616816.db2.gz KAQKKWLHFVNPAG-PGRDOPGGSA-N -1 0 385.891 5.473 50 0 GKAARM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)c1 ZINC000065004873 205205969 /nfs/dbraw/zinc/20/59/69/205205969.db2.gz AEHRUWXCDALALF-UHFFFAOYSA-N -1 0 388.514 5.170 50 0 GKAARM Cc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2cc(C)ccc2C)CC(=O)N3)cc1 ZINC000064795894 205195091 /nfs/dbraw/zinc/19/50/91/205195091.db2.gz XKEPAINMCPWZEP-KRWDZBQOSA-N -1 0 391.492 5.513 50 0 GKAARM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(-c3nc(C(C)C)cs3)s2)c1 ZINC000064769484 205195916 /nfs/dbraw/zinc/19/59/16/205195916.db2.gz KCKCIQAJVHFKFC-UHFFFAOYSA-N -1 0 396.534 5.243 50 0 GKAARM O=C([O-])c1ccc(Nc2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 ZINC000003219754 205724043 /nfs/dbraw/zinc/72/40/43/205724043.db2.gz GVPKCVHDQBHARL-UHFFFAOYSA-N -1 0 378.497 6.300 50 0 GKAARM O=C([O-])c1cc(-c2ccc(Cl)cc2Cl)nc2ccc(Br)cc21 ZINC000000999582 205806755 /nfs/dbraw/zinc/80/67/55/205806755.db2.gz QLMOXNBPZRWLGQ-UHFFFAOYSA-N -1 0 397.055 5.669 50 0 GKAARM O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccc([O-])c(Cl)c1 ZINC000029367708 206061279 /nfs/dbraw/zinc/06/12/79/206061279.db2.gz FNSQJTSPZMFRSQ-UHFFFAOYSA-N -1 0 394.883 5.498 50 0 GKAARM Cc1ccc(Sc2ncccc2[N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000001043466 206345308 /nfs/dbraw/zinc/34/53/08/206345308.db2.gz PBOCISFXBMRHEZ-UHFFFAOYSA-N -1 0 398.553 5.465 50 0 GKAARM Cc1oc(-c2cc(Cl)cc(Cl)c2)cc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000001122788 206355895 /nfs/dbraw/zinc/35/58/95/206355895.db2.gz HXPPCAIIBKVKBG-UHFFFAOYSA-N -1 0 390.222 5.512 50 0 GKAARM Cc1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)sc2CC(=O)[O-])cc1 ZINC000001424569 206380533 /nfs/dbraw/zinc/38/05/33/206380533.db2.gz AOQQVZHYHOCWAU-UHFFFAOYSA-N -1 0 392.402 5.508 50 0 GKAARM CCCCCCc1cc2c(cc1[O-])occ(-c1nc3ccccc3n1C)c2=O ZINC000001751823 206391127 /nfs/dbraw/zinc/39/11/27/206391127.db2.gz SPIZJHSDPSUMRS-UHFFFAOYSA-N -1 0 376.456 5.175 50 0 GKAARM CCCCc1ccc(-c2ccc(-c3cc(C(=O)[O-])c4cc(C)ccc4n3)o2)cc1 ZINC000001789984 206392286 /nfs/dbraw/zinc/39/22/86/206392286.db2.gz XNIDROUAJHVKBT-UHFFFAOYSA-N -1 0 385.463 6.511 50 0 GKAARM [O-]c1ccccc1-c1nc2ccccc2c(Oc2ccc(Cl)cc2Cl)n1 ZINC000001869065 206393036 /nfs/dbraw/zinc/39/30/36/206393036.db2.gz SXHGJDDVGSBEQQ-UHFFFAOYSA-N -1 0 383.234 6.102 50 0 GKAARM CCCCCCc1cc2c(cc1O[C@@H](C)C(=O)[O-])oc(=O)cc2-c1ccccc1 ZINC000002291715 206407498 /nfs/dbraw/zinc/40/74/98/206407498.db2.gz MVEMCXWJWRZHAI-INIZCTEOSA-N -1 0 394.467 5.435 50 0 GKAARM O=C([O-])c1ccc2cc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1 ZINC000003936873 206496563 /nfs/dbraw/zinc/49/65/63/206496563.db2.gz LDGIHZJOIQSHPB-UHFFFAOYSA-N -1 0 398.502 6.378 50 0 aggregator,in-vitro GKAARM COc1cccc(C([O-])=C(C(C)=O)[C@@H]2c3ccccc3Oc3ccc(F)cc32)c1 ZINC000100942968 211393807 /nfs/dbraw/zinc/39/38/07/211393807.db2.gz YZIXUZWWQQBTQZ-DHIUTWEWSA-N -1 0 390.410 5.160 50 0 GKAARM O=C(C=C([O-])c1ccc(Cl)cc1)CCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000100721453 211390895 /nfs/dbraw/zinc/39/08/95/211390895.db2.gz WEXRIKFVZKFHIT-UHFFFAOYSA-N -1 0 398.673 5.208 50 0 GKAARM CCCCCCn1c(=O)c(C(=O)Nc2ccccc2Cl)c([O-])c2ccccc21 ZINC000100710673 211389177 /nfs/dbraw/zinc/38/91/77/211389177.db2.gz AKHISNMTTNFHAT-UHFFFAOYSA-N -1 0 398.890 5.193 50 0 GKAARM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3c(C)cccc3C(C)C)s2)cs1 ZINC000095447966 211240886 /nfs/dbraw/zinc/24/08/86/211240886.db2.gz DGNYTBWCXBMFKY-UHFFFAOYSA-N -1 0 392.571 5.413 50 0 GKAARM CC(C)C[C@@H](C(=O)[O-])c1[nH]c2ccc(Cl)cc2c1CNC(=O)OC(C)(C)C ZINC000077024517 211127193 /nfs/dbraw/zinc/12/71/93/211127193.db2.gz HTKKQHMZDZPFGW-CQSZACIVSA-N -1 0 394.899 5.060 50 0 GKAARM CC(C)n1ncc2c1NC(=O)C[C@H]2c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000071283103 211041662 /nfs/dbraw/zinc/04/16/62/211041662.db2.gz AWOKBKXLYZOUGA-GFCCVEGCSA-N -1 0 399.834 5.199 50 0 GKAARM Cc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1C ZINC000064796283 210948332 /nfs/dbraw/zinc/94/83/32/210948332.db2.gz CCGIBCUHVQMPKV-INIZCTEOSA-N -1 0 395.455 5.343 50 0 GKAARM Cc1ccc(-c2nnc(S[C@@H](C(=O)[O-])c3ccccc3)c3ccccc32)cc1 ZINC000012176775 206864588 /nfs/dbraw/zinc/86/45/88/206864588.db2.gz JXKBJJJHDOULKQ-OAQYLSRUSA-N -1 0 386.476 5.523 50 0 GKAARM Cc1ccc(Cn2c(=O)c3cc(Cc4ccccc4)sc3[n-]c2=S)cc1 ZINC000017077467 207082971 /nfs/dbraw/zinc/08/29/71/207082971.db2.gz ZUTWADURJISYKJ-UHFFFAOYSA-N -1 0 378.522 5.068 50 0 GKAARM O=C([O-])CC1(CC(=O)Nc2nc(-c3cccc4ccccc43)cs2)CCCC1 ZINC000017080635 207084619 /nfs/dbraw/zinc/08/46/19/207084619.db2.gz NTUKBUBQQGRBKR-UHFFFAOYSA-N -1 0 394.496 5.327 50 0 GKAARM CC1(C)[C@@H](C(=O)[O-])CC[C@@]1(C)C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000018191929 207095710 /nfs/dbraw/zinc/09/57/10/207095710.db2.gz KAQKKWLHFVNPAG-GCJKJVERSA-N -1 0 385.891 5.473 50 0 GKAARM O=C([O-])CC/C(=C/c1ccc(Br)cc1)c1nc2ccccc2s1 ZINC000033546036 210650044 /nfs/dbraw/zinc/65/00/44/210650044.db2.gz DDTJOWNZQRBLFV-QBFSEMIESA-N -1 0 388.286 5.464 50 0 GKAARM Cc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1 ZINC000064796277 207812041 /nfs/dbraw/zinc/81/20/41/207812041.db2.gz DEGQHFAHRYDBAR-HNNXBMFYSA-N -1 0 381.428 5.035 50 0 GKAARM O=C([O-])C/C(=C/c1ccc(-c2ccccc2Cl)o1)c1nc2ccccc2o1 ZINC000021742372 210391752 /nfs/dbraw/zinc/39/17/52/210391752.db2.gz QWAKKLOYFXLIGE-QBFSEMIESA-N -1 0 379.799 5.757 50 0 GKAARM CCOc1ccc2nc([N-]c3nc4ccc5sc(C)nc5c4s3)sc2c1 ZINC000004137765 208538158 /nfs/dbraw/zinc/53/81/58/208538158.db2.gz TVAVXNLEGJGDGM-UHFFFAOYSA-N -1 0 398.538 5.966 50 0 GKAARM Cc1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])nc1-c1ccc(C(C)C)cc1 ZINC000002737963 209380503 /nfs/dbraw/zinc/38/05/03/209380503.db2.gz WRLKXLRPWMGSRF-IAGOWNOFSA-N -1 0 386.517 5.071 50 0 GKAARM O=C([O-])c1cc(-c2cc(Cl)ccc2Cl)nc2ccc(Br)cc21 ZINC000002770542 208818753 /nfs/dbraw/zinc/81/87/53/208818753.db2.gz DPJGPKVYOKAOMT-UHFFFAOYSA-N -1 0 397.055 5.669 50 0 GKAARM CC(C)Oc1ccccc1-c1cc(C(=O)[O-])c2cc(Br)ccc2n1 ZINC000000685698 220452823 /nfs/dbraw/zinc/45/28/23/220452823.db2.gz WCOKPTKINORRTP-UHFFFAOYSA-N -1 0 386.245 5.150 50 0 GKAARM O=C([O-])c1ccc(Cl)c(NC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000002582917 220543129 /nfs/dbraw/zinc/54/31/29/220543129.db2.gz USPYMVNYANTVJU-UHFFFAOYSA-N -1 0 393.826 5.399 50 0 GKAARM CC[C@H](C)c1ccc(-c2nc3ccc(Br)cc3c(C(=O)[O-])c2C)cc1 ZINC000002735562 220559246 /nfs/dbraw/zinc/55/92/46/220559246.db2.gz YMJMVVCOCCXSSD-LBPRGKRZSA-N -1 0 398.300 6.184 50 0 GKAARM O=C([O-])c1cc(-c2cc3ccccc3cc2O)nc2cc(Br)ccc21 ZINC000003101461 220602507 /nfs/dbraw/zinc/60/25/07/220602507.db2.gz UWUQFFLODYRIIJ-UHFFFAOYSA-N -1 0 394.224 5.221 50 0 GKAARM CCCC1CCC(c2ccc(-c3noc(-c4ccc([O-])c(F)c4)n3)cc2)CC1 ZINC000003583679 220657795 /nfs/dbraw/zinc/65/77/95/220657795.db2.gz LRLLJOZGFVPHLD-UHFFFAOYSA-N -1 0 380.463 6.322 50 0 GKAARM CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCC(=O)[O-] ZINC000008689970 221049572 /nfs/dbraw/zinc/04/95/72/221049572.db2.gz BEYWKSIFICEQGH-KUBAVDMBSA-N -1 0 385.548 5.665 50 0 in-vitro GKAARM CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCC(=O)[O-] ZINC000008681791 221049826 /nfs/dbraw/zinc/04/98/26/221049826.db2.gz JKUDIEXTAYKJNX-DOFZRALJSA-N -1 0 389.580 6.113 50 0 in-vitro GKAARM CCc1c(-c2ccc(-c3ccccc3Cl)o2)nc2ccc(F)cc2c1C(=O)[O-] ZINC000011689791 221121501 /nfs/dbraw/zinc/12/15/01/221121501.db2.gz LMWKGRASNIBBJC-UHFFFAOYSA-N -1 0 395.817 6.215 50 0 GKAARM O=C([O-])CC/C(=C\c1ccc(Cl)cc1Cl)c1nc2ccccc2s1 ZINC000012634981 221216496 /nfs/dbraw/zinc/21/64/96/221216496.db2.gz LAFTWQJCWOVPAZ-FMIVXFBMSA-N -1 0 378.280 6.009 50 0 GKAARM Cc1ccc(-c2[nH]nc3nc(-c4ccc(C(F)(F)F)cc4)cc(C(=O)[O-])c32)cc1 ZINC000020492223 221494347 /nfs/dbraw/zinc/49/43/47/221494347.db2.gz RJWGLSYQKOYAML-UHFFFAOYSA-N -1 0 397.356 5.317 50 0 GKAARM O=C([O-])c1cc(-c2cc(F)c(Cl)cc2Cl)nn1-c1ccc(Cl)cc1 ZINC000025781766 221633564 /nfs/dbraw/zinc/63/35/64/221633564.db2.gz PSZSLSNDHZFUEO-UHFFFAOYSA-N -1 0 385.609 5.337 50 0 GKAARM [O-]c1c(Cl)cc(Cl)c2ccc(/C=C\c3cccc(Cl)c3Cl)nc12 ZINC000033748210 221794892 /nfs/dbraw/zinc/79/48/92/221794892.db2.gz GYLWMICVEURKJK-PLNGDYQASA-N -1 0 385.077 6.724 50 0 GKAARM CCC(=O)Nc1ccc(N(CC)CCC23CC4CC(CC(C4)C2)C3)c(C(=O)[O-])c1 ZINC000058065233 222039951 /nfs/dbraw/zinc/03/99/51/222039951.db2.gz NVXJIIVZDXCNDK-UHFFFAOYSA-N -1 0 398.547 5.166 50 0 GKAARM Cc1ccccc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(Cl)cc1 ZINC000064795483 222081626 /nfs/dbraw/zinc/08/16/26/222081626.db2.gz YXKDCMMTYVFZHB-OAHLLOKOSA-N -1 0 397.883 5.549 50 0 GKAARM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nc(C(C)C)cs3)s2)c1C ZINC000064769446 222081880 /nfs/dbraw/zinc/08/18/80/222081880.db2.gz ZSQKZQKVYTTXAZ-UHFFFAOYSA-N -1 0 392.571 5.413 50 0 GKAARM Cc1ccc(C)c([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)c1 ZINC000064797289 222082099 /nfs/dbraw/zinc/08/20/99/222082099.db2.gz DIHDCYSGXWSYGJ-INIZCTEOSA-N -1 0 395.455 5.343 50 0 GKAARM O=c1cc([O-])c2sc3nc(-c4ccc(Cl)cc4)cc(C(F)F)c3c2[nH]1 ZINC000065365784 222124891 /nfs/dbraw/zinc/12/48/91/222124891.db2.gz MXRBRGXSFGUNJC-UHFFFAOYSA-N -1 0 378.787 5.101 50 0 GKAARM Cc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2N(CC(C)C)CC(C)C)c1 ZINC000064820524 518190335 /nfs/dbraw/zinc/19/03/35/518190335.db2.gz YNMRLOJVQLPARM-UHFFFAOYSA-N -1 0 382.504 5.064 50 0 GKAARM CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCCCC(=O)[O-] ZINC000091294586 526349469 /nfs/dbraw/zinc/34/94/69/526349469.db2.gz JUCDAUSILDWYOA-UHFFFAOYSA-N -1 0 398.628 7.435 50 0 GKAARM CC(C)=C1CC[C@H](C)[C@@](C)(COc2ccc3ccc(=O)oc3c2)[C@@H]1CCC(=O)[O-] ZINC000230066905 574420276 /nfs/dbraw/zinc/42/02/76/574420276.db2.gz CVWWNYPTZYQCSE-LZBHBKQYSA-N -1 0 398.499 5.425 50 0 endogenous,in-man GKAARM O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1[O-] ZINC000003986227 560193071 /nfs/dbraw/zinc/19/30/71/560193071.db2.gz CHILCFMQWMQVAL-UHFFFAOYSA-N -1 0 383.675 5.336 50 0 in-vitro GKAARM O=C(C[C@@H](c1ccc(F)cc1)c1c(=O)oc2ccccc2c1[O-])c1ccccc1 ZINC000019897610 570228496 /nfs/dbraw/zinc/22/84/96/570228496.db2.gz QPKVPZAFCJKAGJ-IBGZPJMESA-N -1 0 388.394 5.043 50 0 GKAARM O=C([O-])c1ccc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000000970859 570232592 /nfs/dbraw/zinc/23/25/92/570232592.db2.gz WJJGWIIFCRITMY-UHFFFAOYSA-N -1 0 375.815 5.392 50 0 GKAARM [O-]c1c(Br)cc(Br)cc1-c1nc2ccccc2s1 ZINC000096903966 570232658 /nfs/dbraw/zinc/23/26/58/570232658.db2.gz FWKHLHXATSAQBY-UHFFFAOYSA-N -1 0 385.080 5.194 50 0 GKAARM COc1cc(CNc2ccc(C(=O)[O-])cc2)ccc1OCc1ccccc1Cl ZINC000001112283 570242604 /nfs/dbraw/zinc/24/26/04/570242604.db2.gz VAZCMSUVFGJUFT-UHFFFAOYSA-N -1 0 397.858 5.238 50 0 GKAARM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1ccccc1F ZINC000001739806 570270849 /nfs/dbraw/zinc/27/08/49/570270849.db2.gz NMKSTKIEBAIEPL-UHFFFAOYSA-N -1 0 397.016 5.390 50 0 GKAARM CC(C)Oc1ccc(COc2ccc([C@@H](C)C(=O)[O-])cc2Cl)cc1Cl ZINC000045068598 570272004 /nfs/dbraw/zinc/27/20/04/570272004.db2.gz XBPWSJHHYNLTNF-GFCCVEGCSA-N -1 0 383.271 5.548 50 0 GKAARM CC(=O)C(=C([O-])c1ccc(F)cc1)[C@@H]1c2ccccc2Oc2ccc(F)cc21 ZINC000100671620 570274630 /nfs/dbraw/zinc/27/46/30/570274630.db2.gz GFWZLBUJKQZGSQ-FGZHOGPDSA-N -1 0 378.374 5.291 50 0 GKAARM O=S(=O)([N-]c1cc2c3c(oc2c2ccccc12)CCCC3)c1cccs1 ZINC000002184853 570277854 /nfs/dbraw/zinc/27/78/54/570277854.db2.gz QIPCCYABVFBQJH-UHFFFAOYSA-N -1 0 383.494 5.327 50 0 GKAARM CC(C)(C)[C@H]1CCc2c(sc3[n-]c(=S)n(Cc4ccccc4)c(=O)c23)C1 ZINC000002275664 570280915 /nfs/dbraw/zinc/28/09/15/570280915.db2.gz UEAGJAYIKACJKS-AWEZNQCLSA-N -1 0 384.570 5.320 50 0 GKAARM COc1cc2c(cc1[N-]S(=O)(=O)c1ccc(Cl)cc1)oc1ccccc12 ZINC000002321099 570282554 /nfs/dbraw/zinc/28/25/54/570282554.db2.gz RVKNETFXHREIKP-UHFFFAOYSA-N -1 0 387.844 5.049 50 0 GKAARM [O-]c1c(Cl)c2c(c(Cl)c1Cl)O[C@@H](Nc1ccc3ncccc3c1)C2 ZINC000000658541 570285733 /nfs/dbraw/zinc/28/57/33/570285733.db2.gz LWMBYLUUEPPNSM-GFCCVEGCSA-N -1 0 381.646 5.274 50 0 GKAARM O=C([O-])C/C(=C/c1cc(Br)ccc1F)c1nc2ccccc2s1 ZINC000023324599 570287797 /nfs/dbraw/zinc/28/77/97/570287797.db2.gz UKNQTWPRFXOZQF-XFFZJAGNSA-N -1 0 392.249 5.213 50 0 GKAARM Cn1cc([C@@H](CC(=O)c2ccc(C3CCCCC3)cc2)C(=O)[O-])c2ccccc21 ZINC000002549939 570290719 /nfs/dbraw/zinc/29/07/19/570290719.db2.gz DMSMXAUCEQPFBK-OAQYLSRUSA-N -1 0 389.495 5.667 50 0 GKAARM O=C([O-])C=Cc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000002583036 570291526 /nfs/dbraw/zinc/29/15/26/570291526.db2.gz MULOIKZCIBVDEJ-SDNWHVSQSA-N -1 0 385.419 5.145 50 0 GKAARM O=S(=O)([N-]c1cc(Cl)ccc1Oc1ccccc1)c1ccc(F)cc1 ZINC000002852487 570309152 /nfs/dbraw/zinc/30/91/52/570309152.db2.gz DDWLXAXXOQVXNI-UHFFFAOYSA-N -1 0 377.824 5.072 50 0 GKAARM O=C([O-])c1cccc(Nc2nc3ccccc3c(-c3ccc(Cl)cc3)n2)c1 ZINC000072314542 570310666 /nfs/dbraw/zinc/31/06/66/570310666.db2.gz JYXZCQBAGKKIAK-UHFFFAOYSA-N -1 0 375.815 5.392 50 0 GKAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1ccccc1-c1ccccc1 ZINC000002869730 570313507 /nfs/dbraw/zinc/31/35/07/570313507.db2.gz CFKMRCGCHYNTHF-UHFFFAOYSA-N -1 0 393.442 5.971 50 0 GKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000001636289 570325513 /nfs/dbraw/zinc/32/55/13/570325513.db2.gz SMEROWZSTRWXGI-XBPFTBONSA-N -1 0 376.581 5.507 50 0 GKAARM O=C([O-])Cc1c(-c2ccc(-c3ccccc3)cc2)oc2c1c(=O)oc1ccccc21 ZINC000524732087 570329291 /nfs/dbraw/zinc/32/92/91/570329291.db2.gz WRWNIPWABHOUBE-UHFFFAOYSA-N -1 0 396.398 5.500 50 0 biogenic GKAARM CC(C)c1cccc(C(C)C)c1OC([O-])=NC(=O)c1c(Cl)cccc1Cl ZINC000003137991 570330308 /nfs/dbraw/zinc/33/03/08/570330308.db2.gz HLPRBOWIXLAKLA-UHFFFAOYSA-N -1 0 394.298 6.169 50 0 GKAARM Cc1cccc(CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[n-]2)c1 ZINC000032948509 570341160 /nfs/dbraw/zinc/34/11/60/570341160.db2.gz QELXBQMQGHKZOP-UHFFFAOYSA-N -1 0 397.550 5.106 50 0 GKAARM Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CC(=O)[O-])c(=O)oc12 ZINC000004043262 570355562 /nfs/dbraw/zinc/35/55/62/570355562.db2.gz LSZYWBGRRKAHPL-UHFFFAOYSA-N -1 0 382.799 5.104 50 0 biogenic GKAARM O=C([O-])CCCC(=O)NCc1c(Cl)cccc1Sc1ccc(Cl)cc1 ZINC000004325131 570368179 /nfs/dbraw/zinc/36/81/79/570368179.db2.gz GTAPDBCIHYBTLZ-UHFFFAOYSA-N -1 0 398.311 5.016 50 0 GKAARM O=C([O-])c1ccccc1S[C@@H](CC(=O)c1cccc(F)c1)c1ccc(F)cc1 ZINC000004371391 570371934 /nfs/dbraw/zinc/37/19/34/570371934.db2.gz NNQANFFNZRNIEW-NRFANRHFSA-N -1 0 398.430 5.769 50 0 GKAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)C1 ZINC000004381324 570372138 /nfs/dbraw/zinc/37/21/38/570372138.db2.gz GROFMWXXTZGLAX-UXHICEINSA-N -1 0 399.874 5.518 50 0 GKAARM COC(=O)c1ccc2nc([N-]c3nc4ccc(Cl)cc4s3)sc2c1 ZINC000005025739 570399423 /nfs/dbraw/zinc/39/94/23/570399423.db2.gz ZBUCDPVNBJXIQH-UHFFFAOYSA-N -1 0 375.862 5.090 50 0 GKAARM C[C@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccccc2OC(F)F)C1 ZINC000033584066 570409069 /nfs/dbraw/zinc/40/90/69/570409069.db2.gz NDTLFHHKRXDBBG-DKXRRRNBSA-N -1 0 395.405 5.657 50 0 GKAARM O=C([O-])COc1ccccc1C(c1c[nH]c2ccccc21)c1c[nH]c2ccccc21 ZINC000004845454 570411768 /nfs/dbraw/zinc/41/17/68/570411768.db2.gz NFGYWGAXXAMVIB-UHFFFAOYSA-N -1 0 396.446 5.293 50 0 GKAARM O=C([O-])CC/C(=C/c1ccccc1Br)c1nc2ccccc2s1 ZINC000033674366 570413086 /nfs/dbraw/zinc/41/30/86/570413086.db2.gz ULNGJZHKCROZOG-QBFSEMIESA-N -1 0 388.286 5.464 50 0 GKAARM C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)[O-] ZINC000039206611 570422516 /nfs/dbraw/zinc/42/25/16/570422516.db2.gz BQOYUBWEBGKHDA-GKAFRRCBSA-N -1 0 376.537 5.196 50 0 GKAARM O=C([O-])CC/C(=C\c1ccccc1Br)c1nc2ccccc2s1 ZINC000005131394 570430382 /nfs/dbraw/zinc/43/03/82/570430382.db2.gz ULNGJZHKCROZOG-ACCUITESSA-N -1 0 388.286 5.464 50 0 GKAARM [O-]c1ccccc1-c1nc2ccccc2c(Oc2ccc(-c3ccccc3)cc2)n1 ZINC000001875975 570438562 /nfs/dbraw/zinc/43/85/62/570438562.db2.gz BVNVWEDCKQXNHC-UHFFFAOYSA-N -1 0 390.442 6.462 50 0 GKAARM O=C([O-])[C@@H](N=c1cc(-c2ccccc2)oc2ccc(Cl)cc21)c1ccccc1 ZINC000001892094 570438887 /nfs/dbraw/zinc/43/88/87/570438887.db2.gz STADGCXAPKVVAH-QFIPXVFZSA-N -1 0 389.838 5.480 50 0 GKAARM CC(C)(C)c1ccc(Oc2c(=O)c3ccc([O-])cc3oc2C(F)(F)F)cc1 ZINC000005444101 570440045 /nfs/dbraw/zinc/44/00/45/570440045.db2.gz QHISRQYOGVXAHK-UHFFFAOYSA-N -1 0 378.346 5.607 50 0 biogenic GKAARM CC(C)(C)[C@H]1CCc2c(sc3[n-]c(=S)n(C4CCCCC4)c(=O)c23)C1 ZINC000005898697 570460785 /nfs/dbraw/zinc/46/07/85/570460785.db2.gz RVIUDUUNDGOKFT-LBPRGKRZSA-N -1 0 376.591 5.777 50 0 GKAARM O=c1c2ccc([O-])cc2oc(C(F)(F)F)c1Oc1ccc(-c2ccccc2)cc1 ZINC000006062164 570465386 /nfs/dbraw/zinc/46/53/86/570465386.db2.gz WATAYPGCMGGEBO-UHFFFAOYSA-N -1 0 398.336 5.977 50 0 GKAARM Cc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])nc1-c1ccc(C(C)C)cc1 ZINC000002737962 570510530 /nfs/dbraw/zinc/51/05/30/570510530.db2.gz WRLKXLRPWMGSRF-DLBZAZTESA-N -1 0 386.517 5.071 50 0 GKAARM Cc1sc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])nc1-c1cc(C)ccc1C ZINC000002743942 570513090 /nfs/dbraw/zinc/51/30/90/570513090.db2.gz KMYUZYSMWREZBT-ROUUACIJSA-N -1 0 398.528 5.121 50 0 GKAARM Cc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc(C(=O)[O-])cc3)c2C)cc1 ZINC000002760320 570514178 /nfs/dbraw/zinc/51/41/78/570514178.db2.gz BZTDCTSQYSPBLI-UHFFFAOYSA-N -1 0 396.446 5.469 50 0 GKAARM Cc1ccc(NC(=O)Nc2cc3[nH]c(C(=O)[O-])c(-c4ccccc4)c3cc2C)cc1 ZINC000032918950 570516282 /nfs/dbraw/zinc/51/62/82/570516282.db2.gz PFOXZRGLGAKFOU-UHFFFAOYSA-N -1 0 399.450 5.794 50 0 GKAARM O=c1oc2cc([O-])ccc2cc1-c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000002964128 570522634 /nfs/dbraw/zinc/52/26/34/570522634.db2.gz NHYLQXRJSJSYTO-UHFFFAOYSA-N -1 0 390.247 5.596 50 0 biogenic GKAARM O=C([O-])CCCCCNc1nc(-c2ccccc2)nc2c3ccccc3oc21 ZINC000005252745 570529427 /nfs/dbraw/zinc/52/94/27/570529427.db2.gz AIJNWRGZBZHXPA-UHFFFAOYSA-N -1 0 375.428 5.100 50 0 GKAARM Cc1cc(-c2ccccc2)nc2oc(-c3n[n-]c(=S)n3-c3ccccc3)c(N)c21 ZINC000008382955 570530050 /nfs/dbraw/zinc/53/00/50/570530050.db2.gz JJSSJVNWHKKDMM-UHFFFAOYSA-N -1 0 399.479 5.296 50 0 GKAARM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc(C(C)C)cs2)s1 ZINC000064769453 570541710 /nfs/dbraw/zinc/54/17/10/570541710.db2.gz IJRCUTOKOFKWEP-UHFFFAOYSA-N -1 0 378.544 5.104 50 0 GKAARM CC(C)c1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1 ZINC000064795392 570546489 /nfs/dbraw/zinc/54/64/89/570546489.db2.gz ZZKDIEPIGFJLBZ-KRWDZBQOSA-N -1 0 391.492 5.711 50 0 GKAARM Cc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccc(C)cc2)CC(=O)N3)cc1 ZINC000064795884 570546717 /nfs/dbraw/zinc/54/67/17/570546717.db2.gz WHPFGBSZBYPCDH-INIZCTEOSA-N -1 0 377.465 5.204 50 0 GKAARM CCc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1 ZINC000064796308 570546776 /nfs/dbraw/zinc/54/67/76/570546776.db2.gz NFZKKWJAFVBRQB-MRXNPFEDSA-N -1 0 395.455 5.289 50 0 GKAARM Cc1ccc(-c2c(C(=O)[O-])sc3c2NC(=O)C[C@@H]3c2ccccc2F)cc1 ZINC000064796169 570546789 /nfs/dbraw/zinc/54/67/89/570546789.db2.gz FXCXBNZMLJIKSO-CQSZACIVSA-N -1 0 381.428 5.035 50 0 GKAARM Cc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1C ZINC000064796290 570546824 /nfs/dbraw/zinc/54/68/24/570546824.db2.gz CCGIBCUHVQMPKV-MRXNPFEDSA-N -1 0 395.455 5.343 50 0 GKAARM Cc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)c1 ZINC000064796272 570546870 /nfs/dbraw/zinc/54/68/70/570546870.db2.gz AXSGWYKNUSXFKH-OAHLLOKOSA-N -1 0 381.428 5.035 50 0 GKAARM Cc1ccccc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1cccc(F)c1 ZINC000064797266 570546908 /nfs/dbraw/zinc/54/69/08/570546908.db2.gz PPYIQXXJNGIEIC-OAHLLOKOSA-N -1 0 381.428 5.035 50 0 GKAARM Cc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2cccc(C)c2)CC(=O)N3)cc1 ZINC000064795878 570546912 /nfs/dbraw/zinc/54/69/12/570546912.db2.gz ATNBXCSHEJDJEP-INIZCTEOSA-N -1 0 377.465 5.204 50 0 GKAARM Cc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1N(CC(C)C)CC(C)C ZINC000064820485 570555269 /nfs/dbraw/zinc/55/52/69/570555269.db2.gz QONGGVFKIHOMPB-UHFFFAOYSA-N -1 0 382.504 5.064 50 0 GKAARM Cc1cc(NC(=O)c2ccco2)cc(-c2nc3cc(C(C)C)ccc3o2)c1O ZINC000009418785 570557492 /nfs/dbraw/zinc/55/74/92/570557492.db2.gz XEHSWEVPMWPQAE-UHFFFAOYSA-N -1 0 376.412 5.478 50 0 GKAARM CC(=O)C(=C([O-])c1ccc(F)cc1)[C@H]1c2ccccc2Oc2ccc(F)cc21 ZINC000038190551 570579143 /nfs/dbraw/zinc/57/91/43/570579143.db2.gz GFWZLBUJKQZGSQ-YADHBBJMSA-N -1 0 378.374 5.291 50 0 GKAARM O=C([O-])c1c(NC(=O)Cc2ccccc2)sc2c1CCCCCCCCCC2 ZINC000002060388 570587402 /nfs/dbraw/zinc/58/74/02/570587402.db2.gz DPKVEKNYEZAJBP-UHFFFAOYSA-N -1 0 399.556 5.847 50 0 GKAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)cc1Cl ZINC000065004090 570644320 /nfs/dbraw/zinc/64/43/20/570644320.db2.gz QCDUZGMTBHRXTB-UHFFFAOYSA-N -1 0 394.905 5.043 50 0 GKAARM CCc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)cc1 ZINC000065004294 570644544 /nfs/dbraw/zinc/64/45/44/570644544.db2.gz IMYIIEPTZLZVPW-UHFFFAOYSA-N -1 0 388.514 5.034 50 0 GKAARM COc1cccc(-c2nc3ccccc3c(Oc3ccc(Cl)cc3C)n2)c1[O-] ZINC000005562535 570648769 /nfs/dbraw/zinc/64/87/69/570648769.db2.gz HDAFUWSIPJDYMU-UHFFFAOYSA-N -1 0 392.842 5.765 50 0 GKAARM [O-]c1ccccc1-c1nc(/C=C/c2c[nH]c3ccccc23)nc(-c2ccccc2)n1 ZINC000012408911 570655388 /nfs/dbraw/zinc/65/53/88/570655388.db2.gz HGQPCPHJXPXMIZ-CCEZHUSRSA-N -1 0 390.446 5.563 50 0 GKAARM COc1cccc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3ccccc3S2)c1 ZINC000005612099 570669486 /nfs/dbraw/zinc/66/94/86/570669486.db2.gz TWLXYYSTPFJSLI-FQEVSTJZSA-N -1 0 393.464 5.020 50 0 biogenic GKAARM O=C([O-])CC1(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCC1 ZINC000006880678 570671057 /nfs/dbraw/zinc/67/10/57/570671057.db2.gz JOWNBZDSNRNLAI-UHFFFAOYSA-N -1 0 397.315 5.088 50 0 GKAARM CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)oc1ccccc12 ZINC000006995534 570732584 /nfs/dbraw/zinc/73/25/84/570732584.db2.gz WGBYMCOWAMYRDH-UHFFFAOYSA-N -1 0 395.480 5.566 50 0 GKAARM CCOc1ccc(Nc2nc(-c3cc(C)ccc3C)c(CC(=O)[O-])s2)cc1 ZINC000000979483 570742911 /nfs/dbraw/zinc/74/29/11/570742911.db2.gz KJXLSRIADQCRSZ-UHFFFAOYSA-N -1 0 382.485 5.196 50 0 GKAARM COc1ccc(-n2c3ccccc3nc2SCc2cccc(C(=O)[O-])c2)cc1 ZINC000013061744 570744804 /nfs/dbraw/zinc/74/48/04/570744804.db2.gz VRBGEERTPHPQOM-UHFFFAOYSA-N -1 0 390.464 5.025 50 0 GKAARM Cc1cccc(NC(=O)c2cccc(OC(=S)[N-]c3ccc(F)cc3)c2)c1 ZINC000001052236 570748918 /nfs/dbraw/zinc/74/89/18/570748918.db2.gz NQOWGRDWKNAZCM-UHFFFAOYSA-N -1 0 380.444 5.162 50 0 GKAARM O=C(c1cnc2c(c1)c(C1CCCC1)nn2-c1ccccc1)c1ccccc1[O-] ZINC000005824992 570794716 /nfs/dbraw/zinc/79/47/16/570794716.db2.gz FTSGWQQJTKJABX-UHFFFAOYSA-N -1 0 383.451 5.015 50 0 GKAARM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000004653247 570806729 /nfs/dbraw/zinc/80/67/29/570806729.db2.gz YDRDYAFMMYSUES-QGZVFWFLSA-N -1 0 394.298 5.237 50 0 GKAARM O=S(=O)([N-]c1cccc(-c2cc3ccccc3[nH]2)c1)c1ccccc1Cl ZINC000033106122 570810626 /nfs/dbraw/zinc/81/06/26/570810626.db2.gz CMVUTYKCIOISBK-UHFFFAOYSA-N -1 0 382.872 5.289 50 0 GKAARM O=c1c2oc3ccc(Cl)cc3c2[n-]c(=S)n1Cc1ccccc1Cl ZINC000101270638 570818738 /nfs/dbraw/zinc/81/87/38/570818738.db2.gz BIIOSTJMBRCYNA-UHFFFAOYSA-N -1 0 377.252 5.160 50 0 GKAARM CCOc1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)ccc1OC(F)F ZINC000013055642 570820593 /nfs/dbraw/zinc/82/05/93/570820593.db2.gz OUFJMOPXYNGQQF-VQHVLOKHSA-N -1 0 385.366 5.104 50 0 GKAARM CC(C)c1ccc(NC(=O)c2c([O-])c3ccccc3n(-c3ccccc3)c2=O)cc1 ZINC000101974877 570839928 /nfs/dbraw/zinc/83/99/28/570839928.db2.gz FPVXMMZWYQRHRR-UHFFFAOYSA-N -1 0 398.462 5.072 50 0 GKAARM O=C([O-])c1sc2c(c1Cl)c(-c1ccc(Cl)cc1)nn2-c1ccccc1 ZINC000003243305 570840568 /nfs/dbraw/zinc/84/05/68/570840568.db2.gz ICUMUMNGPNCQDC-UHFFFAOYSA-N -1 0 389.263 5.759 50 0 GKAARM O=C([O-])c1cc(-c2ccc(-c3ccc(F)c(Cl)c3)o2)nc2ccc(F)cc21 ZINC000004717606 570856517 /nfs/dbraw/zinc/85/65/17/570856517.db2.gz ZXLQTYQRIBQBAU-UHFFFAOYSA-N -1 0 385.753 5.792 50 0 GKAARM [O-]c1ccc2cc(-c3nc4ccccc4s3)/c(=N/c3nccs3)oc2c1 ZINC000004551735 570871903 /nfs/dbraw/zinc/87/19/03/570871903.db2.gz WAVGVVCGECZDMY-XLNRJJMWSA-N -1 0 377.450 5.104 50 0 GKAARM O=S(=O)([N-]c1ccc(Nc2ccccc2)cc1)c1cc(Cl)ccc1Cl ZINC000005925733 570898299 /nfs/dbraw/zinc/89/82/99/570898299.db2.gz QGPMRXZRZVXFSF-UHFFFAOYSA-N -1 0 393.295 5.538 50 0 GKAARM O=c1c2cc(-c3ccccc3)sc2[n-]c(=S)n1Cc1ccc(Cl)cc1 ZINC000017078633 570939974 /nfs/dbraw/zinc/93/99/74/570939974.db2.gz CYVCBJHPHHNIMP-UHFFFAOYSA-N -1 0 384.913 5.489 50 0 GKAARM COC(=O)CCCCCc1ccc(Cc2ccc(CCCCC(=O)[O-])cc2)cc1 ZINC000004533110 570949724 /nfs/dbraw/zinc/94/97/24/570949724.db2.gz YRNNSCIBLLDYTO-UHFFFAOYSA-N -1 0 396.527 5.351 50 0 GKAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c(C)s2)sc1C ZINC000033290024 570960696 /nfs/dbraw/zinc/96/06/96/570960696.db2.gz KZURQQASLIQFNZ-UHFFFAOYSA-N -1 0 398.962 5.251 50 0 GKAARM CC[C@@](C)(c1ccccc1)[C@H](OC(=O)c1ccccc1C(=O)[O-])c1ccccc1 ZINC000004788643 570997037 /nfs/dbraw/zinc/99/70/37/570997037.db2.gz IBQFNHDYONCBIR-RDGATRHJSA-N -1 0 388.463 5.651 50 0 GKAARM O=C([O-])Cc1sc(N(c2ccccc2)c2ccccc2)nc1-c1cccs1 ZINC000007716109 571020114 /nfs/dbraw/zinc/02/01/14/571020114.db2.gz GQYUXWDMGUIJSU-UHFFFAOYSA-N -1 0 392.505 5.969 50 0 GKAARM CCCCCCC1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1 ZINC000004872893 209537665 /nfs/dbraw/zinc/53/76/65/209537665.db2.gz OAPLXKOJCXRGSJ-IRZJEQJZSA-N -1 0 398.547 5.057 50 0 biogenic GKAARM CC[C@](C)(c1ccccc1)[C@H](OC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000003136886 209413347 /nfs/dbraw/zinc/41/33/47/209413347.db2.gz KUZKJQKIQSRWRK-RCZVLFRGSA-N -1 0 388.463 5.651 50 0 GKAARM O=C([O-])c1ccc(COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)o1 ZINC000002521387 209367818 /nfs/dbraw/zinc/36/78/18/209367818.db2.gz HIMUWSIFPIZKES-UHFFFAOYSA-N -1 0 390.433 5.824 50 0 GKAARM O=C([O-])c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)c1ccccc1 ZINC000002280111 209354379 /nfs/dbraw/zinc/35/43/79/209354379.db2.gz CMTIXNLBDYQAID-UHFFFAOYSA-N -1 0 399.471 6.033 50 0 GKAARM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000002069690 209344635 /nfs/dbraw/zinc/34/46/35/209344635.db2.gz YXIOTKIEUIFEAJ-UHFFFAOYSA-N -1 0 391.842 5.457 50 0 GKAARM Cc1ccc2nc(-c3ccc(-c4cc(Cl)cc(Cl)c4)o3)cc(C(=O)[O-])c2c1 ZINC000001789992 209339413 /nfs/dbraw/zinc/33/94/13/209339413.db2.gz XZBSJJGYEKWOGR-UHFFFAOYSA-N -1 0 398.245 6.475 50 0 GKAARM CC1(C)CCCC2=C1CC(C)(C)[C@H](N(C(=O)/C=C/C(=O)[O-])c1ccccc1)C2 ZINC000001748516 209338499 /nfs/dbraw/zinc/33/84/99/209338499.db2.gz SXSWWVPRDDMGOA-DRUFCSCSSA-N -1 0 381.516 5.356 50 0 biogenic GKAARM O=C([O-])c1cnc2c(cccc2C(F)(F)F)c1Sc1ccc(Cl)cc1 ZINC000001392829 209325063 /nfs/dbraw/zinc/32/50/63/209325063.db2.gz HMFDFAAWLNXXEG-UHFFFAOYSA-N -1 0 383.778 5.756 50 0 GKAARM Cc1ccc2nc(-c3ccc(-c4cccc(C(F)(F)F)c4)o3)cc(C(=O)[O-])c2c1 ZINC000001454204 209329002 /nfs/dbraw/zinc/32/90/02/209329002.db2.gz FPOHOYJJHMGPSU-UHFFFAOYSA-N -1 0 397.352 6.187 50 0 GKAARM CC(C)(C)c1ccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000001045955 209292465 /nfs/dbraw/zinc/29/24/65/209292465.db2.gz DQXITSXROGUCGJ-UHFFFAOYSA-N -1 0 392.735 5.745 50 0 GKAARM CC1(C)CC=C(c2ccccc2)c2cc(/C=C/c3ccc(C(=O)[O-])cc3)ccc21 ZINC000001546405 212249452 /nfs/dbraw/zinc/24/94/52/212249452.db2.gz VUODRPPTYLBGFM-CMDGGOBGSA-N -1 0 380.487 6.668 50 0 in-vitro GKAARM O=C([O-])c1ccccc1N1C(=O)c2cc3ccccc3c(-c3ccccc3)c2C1=O ZINC000001445435 212245885 /nfs/dbraw/zinc/24/58/85/212245885.db2.gz CHWZESLITACZGC-UHFFFAOYSA-N -1 0 393.398 5.006 50 0 GKAARM Cc1ccc(SCc2ccc(C(=O)Nc3ccsc3C(=O)[O-])cc2)cc1 ZINC000001030206 212207133 /nfs/dbraw/zinc/20/71/33/212207133.db2.gz RSZHDYJLLFHOAO-UHFFFAOYSA-N -1 0 383.494 5.299 50 0 GKAARM O=C(COc1ccc(C2CCCCC2)cc1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000001010667 212203679 /nfs/dbraw/zinc/20/36/79/212203679.db2.gz VFHRHDYSSLHTPV-UHFFFAOYSA-N -1 0 394.298 5.764 50 0 GKAARM CC(C)Oc1cccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)c1 ZINC000000647374 212169437 /nfs/dbraw/zinc/16/94/37/212169437.db2.gz YVECGKPYFNVLAC-UHFFFAOYSA-N -1 0 386.245 5.150 50 0 GKAARM O=C([O-])c1c2c(nc3ccccc31)/C(=C\c1ccc(F)c(Br)c1)CC2 ZINC000033502556 212161006 /nfs/dbraw/zinc/16/10/06/212161006.db2.gz QPVSUQFWJUBBQQ-XFXZXTDPSA-N -1 0 398.231 5.321 50 0 GKAARM COc1cccc(/C=C(/CCC(=O)[O-])c2nc3ccccc3s2)c1OC(C)C ZINC000033531034 212159879 /nfs/dbraw/zinc/15/98/79/212159879.db2.gz RZBNZEJOFWKPBK-SSZFMOIBSA-N -1 0 397.496 5.498 50 0 GKAARM COc1cc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)[O-])cc(Cl)c1O ZINC000096766293 212155620 /nfs/dbraw/zinc/15/56/20/212155620.db2.gz BVBPRGNUPNRKEN-LCYFTJDESA-N -1 0 395.842 5.178 50 0 GKAARM O=C([O-])c1c2cc(OCc3ccc(Cl)cc3)ccc2oc1-c1ccccc1 ZINC000000634141 212142864 /nfs/dbraw/zinc/14/28/64/212142864.db2.gz IFMZHHVVPHOTMV-UHFFFAOYSA-N -1 0 378.811 6.030 50 0 GKAARM O=C([O-])CCCCCCCCCCNC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004765311 212080243 /nfs/dbraw/zinc/08/02/43/212080243.db2.gz NXLPOPASLUYJHK-UHFFFAOYSA-N -1 0 388.430 5.422 50 0 GKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257358256 212029532 /nfs/dbraw/zinc/02/95/32/212029532.db2.gz SMEROWZSTRWXGI-HIRANESSSA-N -1 0 376.581 5.507 50 0 GKAARM Cc1[n-]n2c(nc(C)c(Cc3ccc(Cl)cc3)c2=O)c1-c1ccc(Cl)cc1 ZINC000017081417 203787676 /nfs/dbraw/zinc/78/76/76/203787676.db2.gz UATUROQNDOXDSP-UHFFFAOYSA-N -1 0 398.293 5.204 50 0 GKAARM O=C([O-])c1cc(Cl)ccc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002582913 203950341 /nfs/dbraw/zinc/95/03/41/203950341.db2.gz GDUMTWJMHBPBQV-UHFFFAOYSA-N -1 0 393.826 5.399 50 0 GKAARM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000004151465 204028618 /nfs/dbraw/zinc/02/86/18/204028618.db2.gz NBAJKPYUEOYRKT-BAGYTPMASA-N -1 0 375.855 5.509 50 0 GKAARM CCCCCc1cc2c(cc1[O-])oc(C(F)(F)F)c(-c1nc(C)cs1)c2=O ZINC000006778277 204204937 /nfs/dbraw/zinc/20/49/37/204204937.db2.gz HJSVWFITVBZQQL-UHFFFAOYSA-N -1 0 397.418 5.682 50 0 GKAARM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C\c1ccccc1C(F)(F)F ZINC000006530383 204182288 /nfs/dbraw/zinc/18/22/88/204182288.db2.gz RKAZXIJHTCYGGL-WYMLVPIESA-N -1 0 383.369 5.829 50 0 GKAARM O=C([O-])c1cc(-c2cccc3ccccc32)nc2n[nH]c(-c3ccc(F)cc3)c21 ZINC000006733047 204196716 /nfs/dbraw/zinc/19/67/16/204196716.db2.gz KWLMGYXTNRVYHH-UHFFFAOYSA-N -1 0 383.382 5.282 50 0 GKAARM O=c1cc([O-])c2sc3nc(-c4cccs4)cc(-c4cccs4)c3c2[nH]1 ZINC000008868458 204292636 /nfs/dbraw/zinc/29/26/36/204292636.db2.gz ZZAIXNUGEDHPDY-UHFFFAOYSA-N -1 0 382.491 5.300 50 0 GKAARM CCOc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)[O-])cc1OC ZINC000097992966 211970370 /nfs/dbraw/zinc/97/03/70/211970370.db2.gz MWNLUHNKCBMKKU-SSZFMOIBSA-N -1 0 389.451 5.217 50 0 GKAARM O=C([O-])C/C(=C/c1csc(-c2ccc(Cl)cc2)n1)c1nc2ccccc2o1 ZINC000022069724 204772411 /nfs/dbraw/zinc/77/24/11/204772411.db2.gz OKTLMLRGPBFHSE-LCYFTJDESA-N -1 0 396.855 5.620 50 0 GKAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3C)c(C)s2)n1 ZINC000033289969 204956421 /nfs/dbraw/zinc/95/64/21/204956421.db2.gz DGZCQWQOUILCOV-UHFFFAOYSA-N -1 0 398.962 5.251 50 0 GKAARM Cc1ccc(C)c([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)c1 ZINC000064796296 205195738 /nfs/dbraw/zinc/19/57/38/205195738.db2.gz ORTBAUWBXJBJEG-INIZCTEOSA-N -1 0 395.455 5.343 50 0 GKAARM Cc1ccc(-c2c(C(=O)[O-])sc3c2NC(=O)C[C@H]3c2ccccc2F)cc1 ZINC000064796166 205195929 /nfs/dbraw/zinc/19/59/29/205195929.db2.gz FXCXBNZMLJIKSO-AWEZNQCLSA-N -1 0 381.428 5.035 50 0 GKAARM CN(Cc1ccsc1)c1nc(-c2csc3ccccc32)ccc1C(=O)[O-] ZINC000299789882 206192574 /nfs/dbraw/zinc/19/25/74/206192574.db2.gz AEKWJSHSGKCIAK-UHFFFAOYSA-N -1 0 380.494 5.359 50 0 GKAARM COc1cccc2cc(/C=C(/CCC(=O)[O-])c3nc4ccccc4s3)oc21 ZINC000033530729 206302903 /nfs/dbraw/zinc/30/29/03/206302903.db2.gz KUBCZMVSQFKTBA-OWBHPGMISA-N -1 0 379.437 5.457 50 0 GKAARM C[C@@H]1CCc2c(oc3cc4ccccc4c([N-]S(=O)(=O)c4ccccc4)c32)C1 ZINC000000651708 206313145 /nfs/dbraw/zinc/31/31/45/206313145.db2.gz SJDLFHYJDGNUEC-OAHLLOKOSA-N -1 0 391.492 5.512 50 0 GKAARM CCCOc1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)cc1OCC ZINC000035684975 206305324 /nfs/dbraw/zinc/30/53/24/206305324.db2.gz NSXVKFQIHAUUQX-VBKFSLOCSA-N -1 0 397.496 5.499 50 0 GKAARM CC(=O)c1sc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000001027882 206343242 /nfs/dbraw/zinc/34/32/42/206343242.db2.gz PBCVQQRYHLNTOD-UHFFFAOYSA-N -1 0 391.901 5.072 50 0 GKAARM Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000001034196 206343722 /nfs/dbraw/zinc/34/37/22/206343722.db2.gz GANPADKZUKFRKF-UHFFFAOYSA-N -1 0 376.890 5.145 50 0 GKAARM CCCCc1c(C)nc2ccc(Br)cc2c1SCCC(=O)[O-] ZINC000001753547 206391275 /nfs/dbraw/zinc/39/12/75/206391275.db2.gz OJXCEQHDIRWCMK-UHFFFAOYSA-N -1 0 382.323 5.215 50 0 GKAARM CC(C)c1ccc(-c2ccc(-c3cc(C(=O)[O-])c4cc(F)ccc4n3)o2)cc1 ZINC000001789998 206392278 /nfs/dbraw/zinc/39/22/78/206392278.db2.gz XLWKPTCIRZJZQN-UHFFFAOYSA-N -1 0 375.399 6.123 50 0 GKAARM Cc1ccc(-c2coc3c2cc2c(C)c(CCC(=O)[O-])c(=O)oc2c3C)cc1 ZINC000002117501 206399538 /nfs/dbraw/zinc/39/95/38/206399538.db2.gz OSRCCNLXZTZCJJ-UHFFFAOYSA-N -1 0 376.408 5.149 50 0 biogenic GKAARM CC[C@@H](C)c1ccc(-c2nc3ccc(Br)cc3c(C(=O)[O-])c2C)cc1 ZINC000002735561 206432234 /nfs/dbraw/zinc/43/22/34/206432234.db2.gz YMJMVVCOCCXSSD-GFCCVEGCSA-N -1 0 398.300 6.184 50 0 in-vitro GKAARM Cc1cccc(CN2c3cc(C(=O)[O-])ccc3Sc3ccccc3C2=O)c1 ZINC000003028816 206454582 /nfs/dbraw/zinc/45/45/82/206454582.db2.gz PQHHLEZRRVNGTF-UHFFFAOYSA-N -1 0 375.449 5.005 50 0 GKAARM O=C([O-])CCCC(=O)Nc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1 ZINC000004949621 206576440 /nfs/dbraw/zinc/57/64/40/206576440.db2.gz XDVXHHGMAGTJKA-UHFFFAOYSA-N -1 0 375.424 5.339 50 0 GKAARM CC[C@@]1(CCCCCCCCCCCCCCC(=O)[O-])OCC(C)(C)N1O ZINC000100028473 211381478 /nfs/dbraw/zinc/38/14/78/211381478.db2.gz RPAZYIOIDZRJOO-QFIPXVFZSA-N -1 0 384.581 6.095 50 0 in-vitro GKAARM O=S(=O)([N-]c1ccccc1)c1nc(-c2ccccc2)sc1-c1ccccc1 ZINC000094992798 211216956 /nfs/dbraw/zinc/21/69/56/211216956.db2.gz YYHNUYOSLYOONT-UHFFFAOYSA-N -1 0 392.505 5.278 50 0 GKAARM COc1ccc(-c2nc3ccccc3c(C(=O)[O-])c2-c2ccc(OC)cc2)cc1 ZINC000071770130 211060949 /nfs/dbraw/zinc/06/09/49/211060949.db2.gz SMHDARQQMQFNPL-UHFFFAOYSA-N -1 0 385.419 5.284 50 0 GKAARM Cc1cc(OCc2ccc(C(=O)[O-])cc2)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000011866520 206838662 /nfs/dbraw/zinc/83/86/62/206838662.db2.gz SIQKEDLBDQFTLO-UHFFFAOYSA-N -1 0 386.403 5.046 50 0 GKAARM CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\c3cccc(C(=O)[O-])c3)c2c1 ZINC000015961224 207069169 /nfs/dbraw/zinc/06/91/69/207069169.db2.gz FGJOAUDRAULEGB-XTCLZLMSSA-N -1 0 399.446 5.601 50 0 GKAARM C[C@@H]1Cc2c(C(=O)[O-])c3ccccc3nc2/C(=C\c2ccc(C(C)(C)C)cc2)C1 ZINC000033572897 210651293 /nfs/dbraw/zinc/65/12/93/210651293.db2.gz COEYLBZITVAEPA-UKJPIOLTSA-N -1 0 385.507 6.353 50 0 GKAARM O=C([O-])C/C(=C/c1ccc(Br)cc1F)c1nc2ccccc2s1 ZINC000032642098 210580099 /nfs/dbraw/zinc/58/00/99/210580099.db2.gz ILBBUGRDVQBTKB-XFFZJAGNSA-N -1 0 392.249 5.213 50 0 GKAARM CC(C)(C)[C@@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cccc(O)c2)C1 ZINC000025286826 207303533 /nfs/dbraw/zinc/30/35/33/207303533.db2.gz BTBCYABDUXSZMF-YTBHAWNYSA-N -1 0 387.479 5.788 50 0 GKAARM O=C([O-])[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1 ZINC000030831832 207375646 /nfs/dbraw/zinc/37/56/46/207375646.db2.gz OCWXWVTZSGDBSK-OAQYLSRUSA-N -1 0 399.475 5.124 50 0 GKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@@H]2c1ccsc1 ZINC000064795782 207811771 /nfs/dbraw/zinc/81/17/71/207811771.db2.gz IHNHSUJHRLUOBN-GFCCVEGCSA-N -1 0 389.885 5.302 50 0 GKAARM O=C(Cc1coc(-c2ccc(Cl)cc2)n1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000095453037 208183273 /nfs/dbraw/zinc/18/32/73/208183273.db2.gz XCVJJLDJIWTULV-UHFFFAOYSA-N -1 0 397.645 5.189 50 0 GKAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2nc(-c3ccccc3)cc(C(F)F)c12 ZINC000020615268 210354307 /nfs/dbraw/zinc/35/43/07/210354307.db2.gz XIRZEUJEEQAHFX-UHFFFAOYSA-N -1 0 379.366 5.032 50 0 GKAARM O=C([O-])[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000003883409 220669473 /nfs/dbraw/zinc/66/94/73/220669473.db2.gz APWDGIQCCPTEDA-WOJBJXKFSA-N -1 0 383.875 5.038 50 0 GKAARM [O-]c1c(Cl)cc(Cl)c2ccc(/C=C/c3cccc(Br)c3)nc12 ZINC000004879770 220783154 /nfs/dbraw/zinc/78/31/54/220783154.db2.gz AGQIHKSTZDRMFI-SNAWJCMRSA-N -1 0 395.083 6.180 50 0 GKAARM O=C([O-])c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000007603945 221001880 /nfs/dbraw/zinc/00/18/80/221001880.db2.gz DDIHVAYOPGXVLB-UHFFFAOYSA-N -1 0 376.033 5.033 50 0 GKAARM O=S(=O)([N-]c1ccccc1Cc1ccccc1)c1ccccc1C(F)(F)F ZINC000007985452 221019475 /nfs/dbraw/zinc/01/94/75/221019475.db2.gz OUGJDOHCGPCNCX-UHFFFAOYSA-N -1 0 391.414 5.097 50 0 GKAARM O=c1c2c3c(sc2[n-]c(=S)n1Cc1ccccc1)CC1(CCCCC1)CC3 ZINC000008738003 221054391 /nfs/dbraw/zinc/05/43/91/221054391.db2.gz ZNVOXZZHYVTXOF-UHFFFAOYSA-N -1 0 396.581 5.608 50 0 GKAARM CCCCc1ccc(Nc2nnc(SCc3occc3C(=O)[O-])s2)cc1 ZINC000012556119 221206609 /nfs/dbraw/zinc/20/66/09/221206609.db2.gz XRFIYKARWJDNGK-UHFFFAOYSA-N -1 0 389.502 5.208 50 0 GKAARM CC(C)Cc1ccc([C@@H](NC(=O)CC2(C(=O)[O-])CCCC2)c2cccs2)cc1 ZINC000012751166 221224648 /nfs/dbraw/zinc/22/46/48/221224648.db2.gz RESIIESIUUGTTK-OAQYLSRUSA-N -1 0 399.556 5.187 50 0 GKAARM CC1(C)[C@H](C(=O)[O-])CC[C@@]1(C)C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000018191931 221388728 /nfs/dbraw/zinc/38/87/28/221388728.db2.gz KAQKKWLHFVNPAG-AVRDEDQJSA-N -1 0 385.891 5.473 50 0 GKAARM CCc1ccc(-c2[nH]nc3nc(-c4ccc(Cl)cc4)cc(C(=O)[O-])c32)cc1 ZINC000020492323 221493563 /nfs/dbraw/zinc/49/35/63/221493563.db2.gz PNIKVWBZLSYVSM-UHFFFAOYSA-N -1 0 377.831 5.206 50 0 GKAARM O=C([O-])c1ccc(CSc2nc(-c3cccc(Br)c3)cs2)o1 ZINC000026421255 221641943 /nfs/dbraw/zinc/64/19/43/221641943.db2.gz GAQFXPOEVPGKFY-UHFFFAOYSA-N -1 0 396.287 5.156 50 0 GKAARM O=C([O-])c1ncc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1 ZINC000034066418 221798926 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GKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253531444 524121397 /nfs/dbraw/zinc/12/13/97/524121397.db2.gz SMEROWZSTRWXGI-JWFYPXJISA-N -1 0 376.581 5.507 50 0 GKAARM CCCC[C@@]1(C2CCCC2)Cc2cc(OCC(=O)[O-])c(Cl)c(Cl)c2C1=O ZINC000003874840 560191121 /nfs/dbraw/zinc/19/11/21/560191121.db2.gz YAWWQIFONIPBKT-FQEVSTJZSA-N -1 0 399.314 5.562 50 0 in-vitro GKAARM C[C@H]1CCc2c(oc3cc4ccccc4c([N-]S(=O)(=O)c4ccccc4)c32)C1 ZINC000000651705 570214344 /nfs/dbraw/zinc/21/43/44/570214344.db2.gz SJDLFHYJDGNUEC-HNNXBMFYSA-N -1 0 391.492 5.512 50 0 GKAARM O=C(C[C@H](c1cccs1)c1c(=O)oc2ccccc2c1[O-])c1cccs1 ZINC000019897608 570228372 /nfs/dbraw/zinc/22/83/72/570228372.db2.gz GFEBQYSEVVYVGW-CYBMUJFWSA-N -1 0 382.462 5.027 50 0 GKAARM Cc1ccc2nc(NC(=O)c3ccccc3-c3ccccc3C(=O)[O-])sc2c1 ZINC000000988084 570233170 /nfs/dbraw/zinc/23/31/70/570233170.db2.gz IKUSINZTOKTKTI-UHFFFAOYSA-N -1 0 388.448 5.222 50 0 GKAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(Oc2ccc3ccccc3c2)cc1 ZINC000000990675 570233538 /nfs/dbraw/zinc/23/35/38/570233538.db2.gz JVCFNFUYJPOJRR-UHFFFAOYSA-N -1 0 383.403 5.583 50 0 GKAARM S=c1[n-]nc(CN2c3ccccc3Sc3ccccc32)n1-c1ccccc1 ZINC000001016617 570235214 /nfs/dbraw/zinc/23/52/14/570235214.db2.gz JQGJLIKTIMNXOE-UHFFFAOYSA-N -1 0 388.521 5.733 50 0 GKAARM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1ccc(F)cc1 ZINC000002143657 570270617 /nfs/dbraw/zinc/27/06/17/570270617.db2.gz PGTRXOAABXAFRD-UHFFFAOYSA-N -1 0 397.016 5.390 50 0 GKAARM Cc1nn2c(nc(-c3ccc(Cl)cc3Cl)cc2C(=O)[O-])c1-c1ccccc1 ZINC000020605299 570270959 /nfs/dbraw/zinc/27/09/59/570270959.db2.gz UZNBFHJCXFJHNP-UHFFFAOYSA-N -1 0 398.249 5.377 50 0 GKAARM O=C([O-])c1ccccc1Sc1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000045068671 570272182 /nfs/dbraw/zinc/27/21/82/570272182.db2.gz TVHLBDZWPWMZRD-UHFFFAOYSA-N -1 0 387.460 5.663 50 0 GKAARM Cc1ccc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(C(=O)[O-])cc4)c3n2)s1 ZINC000020615273 570272364 /nfs/dbraw/zinc/27/23/64/570272364.db2.gz XVDOYJORUWOSAG-UHFFFAOYSA-N -1 0 399.422 5.402 50 0 GKAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2nc(-c3ccc(F)cc3)cc(C(F)F)c12 ZINC000020615287 570272396 /nfs/dbraw/zinc/27/23/96/570272396.db2.gz MCRFHBFIISJVTM-UHFFFAOYSA-N -1 0 397.356 5.171 50 0 GKAARM O=c1cc(-c2ccccc2)[n-]n1-c1nc(-c2ccc(Br)cc2)cs1 ZINC000100930543 570279451 /nfs/dbraw/zinc/27/94/51/570279451.db2.gz WRAIEFCJFXCEOO-UHFFFAOYSA-N -1 0 398.285 5.131 50 0 GKAARM O=C([O-])c1cc(-c2cccc3ccccc32)nc2ccc(Br)cc21 ZINC000002573709 570291204 /nfs/dbraw/zinc/29/12/04/570291204.db2.gz WLYGKALYSCVFNZ-UHFFFAOYSA-N -1 0 378.225 5.516 50 0 GKAARM O=C([O-])c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1Cl ZINC000002582919 570291521 /nfs/dbraw/zinc/29/15/21/570291521.db2.gz GXXAGPZCPKDNHU-UHFFFAOYSA-N -1 0 393.826 5.399 50 0 GKAARM COc1ccc(-c2c/c(=N\c3cccc(C(=O)[O-])c3)c3cc(C)ccc3o2)cc1 ZINC000015953113 570300278 /nfs/dbraw/zinc/30/02/78/570300278.db2.gz QVRFVUIMFKWINW-NJNXFGOHSA-N -1 0 385.419 5.347 50 0 GKAARM Cc1cc(CSc2ccccc2)ccc1[N-]S(=O)(=O)c1cccs1 ZINC000002852888 570309184 /nfs/dbraw/zinc/30/91/84/570309184.db2.gz ZBKFWSSPIYZCLX-UHFFFAOYSA-N -1 0 375.540 5.150 50 0 GKAARM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)c(Cl)c1Cl ZINC000002857614 570310128 /nfs/dbraw/zinc/31/01/28/570310128.db2.gz UNOZZMXBFFAVFF-UHFFFAOYSA-N -1 0 388.316 5.235 50 0 GKAARM O=c1cc([O-])c2sc3nc(-c4ccccc4)cc(-c4ccc(F)cc4)c3c2[nH]1 ZINC000005593959 570314300 /nfs/dbraw/zinc/31/43/00/570314300.db2.gz PTTJXXYRXNBGJI-UHFFFAOYSA-N -1 0 388.423 5.944 50 0 GKAARM Cc1ccc2c(Cl)c(C(=O)[N-]c3c(F)c(F)c(F)c(F)c3F)sc2c1 ZINC000002950674 570319599 /nfs/dbraw/zinc/31/95/99/570319599.db2.gz MIRTXHUSZMFVJB-UHFFFAOYSA-N -1 0 391.748 5.811 50 0 GKAARM O=C([O-])C/C(=C\c1csc(-c2ccc(Cl)cc2)n1)c1nc2ccccc2o1 ZINC000007914058 570347457 /nfs/dbraw/zinc/34/74/57/570347457.db2.gz OKTLMLRGPBFHSE-UKTHLTGXSA-N -1 0 396.855 5.620 50 0 GKAARM CCOc1ccc(Nc2nc(-c3ccc(C)cc3C)c(CC(=O)[O-])s2)cc1 ZINC000003864143 570352486 /nfs/dbraw/zinc/35/24/86/570352486.db2.gz ZYPXRIBKMGCPTK-UHFFFAOYSA-N -1 0 382.485 5.196 50 0 GKAARM O=C(N=c1nc(SCc2ccccc2)[n-]s1)OCc1ccc(Cl)cc1 ZINC000004744104 570401345 /nfs/dbraw/zinc/40/13/45/570401345.db2.gz WZSKKJQLTDZUBN-UHFFFAOYSA-N -1 0 391.905 5.233 50 0 GKAARM CCC(CC)COC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] ZINC000004773309 570404531 /nfs/dbraw/zinc/40/45/31/570404531.db2.gz NCHYJHSPDDOANE-UHFFFAOYSA-N -1 0 388.074 5.591 50 0 GKAARM COc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)c2C(=O)[O-])cc1 ZINC000004865534 570413321 /nfs/dbraw/zinc/41/33/21/570413321.db2.gz PNAZKTVNVPPPIP-UHFFFAOYSA-N -1 0 387.844 5.028 50 0 GKAARM O=c1cc([O-])c2sc3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)c3c2[nH]1 ZINC000026779570 570428631 /nfs/dbraw/zinc/42/86/31/570428631.db2.gz OPECDMRTRRBCRJ-UHFFFAOYSA-N -1 0 396.777 5.183 50 0 GKAARM Cc1nc(SCc2ccc(Cl)cc2)[n-]c(=O)c1Oc1ccc(Cl)cc1 ZINC000005176606 570430736 /nfs/dbraw/zinc/43/07/36/570430736.db2.gz ASAGLOBAUUASNG-UHFFFAOYSA-N -1 0 393.295 5.470 50 0 GKAARM CCCCCCc1cc2c(cc1[O-])occ(-c1nc3ccccc3s1)c2=O ZINC000005502477 570443450 /nfs/dbraw/zinc/44/34/50/570443450.db2.gz QVGKRHKGPQGZMS-UHFFFAOYSA-N -1 0 379.481 5.898 50 0 GKAARM CC(=O)C(=NNc1c([O-])c(Cl)c(Cl)c(Cl)c1Cl)c1ccccc1 ZINC000252623704 570454445 /nfs/dbraw/zinc/45/44/45/570454445.db2.gz OXPCHPIBIPTAIU-UHFFFAOYSA-N -1 0 392.069 5.411 50 0 GKAARM [O-]c1ccccc1-c1nc2ccccc2c(Oc2cccc(Br)c2)n1 ZINC000005164654 570472479 /nfs/dbraw/zinc/47/24/79/570472479.db2.gz RXPWNZBAYHDNEA-UHFFFAOYSA-N -1 0 393.240 5.557 50 0 GKAARM [O-]c1ccccc1-c1nc2ccccc2c(Oc2ccc(Br)cc2)n1 ZINC000005164740 570472658 /nfs/dbraw/zinc/47/26/58/570472658.db2.gz DMZGHEPRJOAVOE-UHFFFAOYSA-N -1 0 393.240 5.557 50 0 GKAARM CCOc1cc(C(=O)[O-])c(NC(=O)c2ccc(C(C)C)cc2C(C)C)cc1OC ZINC000006550244 570473431 /nfs/dbraw/zinc/47/34/31/570473431.db2.gz SQJLUKWFZMVKMQ-UHFFFAOYSA-N -1 0 399.487 5.291 50 0 GKAARM CCc1cc2c(=O)c(-c3ccc4ccccc4c3)c(C(F)(F)F)oc2cc1[O-] ZINC000006273918 570475342 /nfs/dbraw/zinc/47/53/42/570475342.db2.gz DIVSVMBCKLQHAH-UHFFFAOYSA-N -1 0 384.353 5.900 50 0 GKAARM O=C([O-])c1ccc(-c2nc(-c3ccccc3)c(-c3cnc4ccccc4c3)[nH]2)cc1 ZINC000002355789 570475606 /nfs/dbraw/zinc/47/56/06/570475606.db2.gz HZSBKRVIJVNFML-UHFFFAOYSA-N -1 0 391.430 5.657 50 0 GKAARM CC(C)(C)c1ccc(-c2cc(C(=O)[O-])c3ccc(Br)cc3n2)cc1 ZINC000006563547 570478801 /nfs/dbraw/zinc/47/88/01/570478801.db2.gz JYWYHUPQVZWETH-UHFFFAOYSA-N -1 0 384.273 5.660 50 0 GKAARM O=C([O-])[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)c1ccccc1 ZINC000030822770 570497063 /nfs/dbraw/zinc/49/70/63/570497063.db2.gz AQEVAFZLDGPQFC-INIZCTEOSA-N -1 0 390.386 5.080 50 0 GKAARM Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc12 ZINC000002762583 570512377 /nfs/dbraw/zinc/51/23/77/570512377.db2.gz RDSZPVLJJMVCAT-UHFFFAOYSA-N -1 0 398.462 5.257 50 0 GKAARM Cc1sc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])nc1-c1cc(C)ccc1C ZINC000002743940 570513015 /nfs/dbraw/zinc/51/30/15/570513015.db2.gz KMYUZYSMWREZBT-ZWKOTPCHSA-N -1 0 398.528 5.121 50 0 GKAARM Cc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1 ZINC000064797273 570546866 /nfs/dbraw/zinc/54/68/66/570546866.db2.gz KHFXRULRTPFKOA-HNNXBMFYSA-N -1 0 381.428 5.035 50 0 GKAARM Cc1ccc(-c2c(C(=O)[O-])sc3c2NC(=O)C[C@H]3c2ccc(F)cc2)cc1 ZINC000064796141 570546915 /nfs/dbraw/zinc/54/69/15/570546915.db2.gz AQMRTFASLPNREE-HNNXBMFYSA-N -1 0 381.428 5.035 50 0 GKAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cccc(Cl)c2)c1C ZINC000064845690 570565638 /nfs/dbraw/zinc/56/56/38/570565638.db2.gz QDPSFDTZTIMPBC-UHFFFAOYSA-N -1 0 396.921 5.091 50 0 GKAARM O=C([O-])c1cc(Br)ccc1OCc1c(Cl)cccc1Cl ZINC000011798168 570582860 /nfs/dbraw/zinc/58/28/60/570582860.db2.gz LQNQVDMQHBZRSO-UHFFFAOYSA-N -1 0 376.033 5.033 50 0 GKAARM CCOc1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c([O-])c3n2)cc1OC ZINC000004880443 570642329 /nfs/dbraw/zinc/64/23/29/570642329.db2.gz AGWLQEMEJGTAQU-GQCTYLIASA-N -1 0 390.266 5.825 50 0 GKAARM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004285 570644568 /nfs/dbraw/zinc/64/45/68/570644568.db2.gz IXKDRIIXVWESAE-UHFFFAOYSA-N -1 0 388.514 5.088 50 0 GKAARM O=S(=O)([N-]c1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccccc1Cl ZINC000033025744 570660719 /nfs/dbraw/zinc/66/07/19/570660719.db2.gz ZMPIAULXTJYHAI-UHFFFAOYSA-N -1 0 382.872 5.289 50 0 GKAARM O=c1[n-]c(SCc2c(Cl)ccc(Cl)c2Cl)nnc1-c1ccccc1 ZINC000005626420 570675636 /nfs/dbraw/zinc/67/56/36/570675636.db2.gz SIDIIOBLCKFKQF-UHFFFAOYSA-N -1 0 398.702 5.084 50 0 GKAARM CCc1sc(-c2cc3ccc([O-])cc3oc2=O)nc1-c1cc(C)ccc1C ZINC000000869185 570678424 /nfs/dbraw/zinc/67/84/24/570678424.db2.gz UQQHEPRMOLGOPF-UHFFFAOYSA-N -1 0 377.465 5.468 50 0 GKAARM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000004625404 570702191 /nfs/dbraw/zinc/70/21/91/570702191.db2.gz CRCTWPVBMDBCCL-KRWDZBQOSA-N -1 0 394.298 5.237 50 0 GKAARM CC(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])c(C(C)C)c1 ZINC000006935303 570713671 /nfs/dbraw/zinc/71/36/71/570713671.db2.gz YGNPYMCXRLBZNL-UHFFFAOYSA-N -1 0 393.405 5.903 50 0 GKAARM O=C([O-])c1cc(-c2ccc(-c3cc(Cl)ccc3Cl)o2)nc2ccccc21 ZINC000000958938 570739193 /nfs/dbraw/zinc/73/91/93/570739193.db2.gz QGMHLTWPCAWQJV-UHFFFAOYSA-N -1 0 384.218 6.167 50 0 GKAARM CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1cc(C(=O)[O-])ccc1C ZINC000000953654 570740028 /nfs/dbraw/zinc/74/00/28/570740028.db2.gz QELWVAOTEBKIEN-UHFFFAOYSA-N -1 0 398.846 5.124 50 0 GKAARM COc1cccc(C([O-])=C(C(C)=O)[C@H]2c3ccccc3Oc3ccc(F)cc32)c1 ZINC000100942974 570781486 /nfs/dbraw/zinc/78/14/86/570781486.db2.gz YZIXUZWWQQBTQZ-PKTZIBPZSA-N -1 0 390.410 5.160 50 0 GKAARM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000004653248 570806573 /nfs/dbraw/zinc/80/65/73/570806573.db2.gz YDRDYAFMMYSUES-KRWDZBQOSA-N -1 0 394.298 5.237 50 0 GKAARM Cc1cc(-c2nc3ccccc3s2)ccc1[N-]S(=O)(=O)c1cccs1 ZINC000033169119 570834515 /nfs/dbraw/zinc/83/45/15/570834515.db2.gz DLIKACKQIIHJDE-UHFFFAOYSA-N -1 0 386.523 5.134 50 0 GKAARM O=C([O-])Cc1sc(Nc2ccc(Cl)cc2Cl)nc1-c1ccc(F)cc1 ZINC000004690205 570835333 /nfs/dbraw/zinc/83/53/33/570835333.db2.gz JTGVSBGUKWVJGN-UHFFFAOYSA-N -1 0 397.258 5.627 50 0 GKAARM COc1ccc(C)cc1-c1nc2ccccc2c(-c2ccccc2)c1CC(=O)[O-] ZINC000003347092 570859728 /nfs/dbraw/zinc/85/97/28/570859728.db2.gz QFFKPGSFXFSKAU-UHFFFAOYSA-N -1 0 383.447 5.513 50 0 GKAARM CC(C)(C)c1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cc1 ZINC000003626830 570879053 /nfs/dbraw/zinc/87/90/53/570879053.db2.gz DJXVSMAWZRFGJL-HXUWFJFHSA-N -1 0 381.516 5.227 50 0 GKAARM O=C([O-])c1cc(-c2ccc(/C=C/c3ccccc3)cc2)nc2ccc(Cl)cc21 ZINC000003626338 570879178 /nfs/dbraw/zinc/87/91/78/570879178.db2.gz AYPLFWDGEPTQRA-VOTSOKGWSA-N -1 0 385.850 6.424 50 0 GKAARM [O-]c1c(Cl)cc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1Cl ZINC000017078036 570939475 /nfs/dbraw/zinc/93/94/75/570939475.db2.gz NAOZGVLMFVDEOL-UHFFFAOYSA-N -1 0 382.099 5.815 50 0 GKAARM Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)c1 ZINC000017179732 570942878 /nfs/dbraw/zinc/94/28/78/570942878.db2.gz NHWNTGVVCVJWSW-WQRHYEAKSA-N -1 0 391.521 5.485 50 0 GKAARM O=C([O-])c1cc(-c2ccc(Cl)cc2Cl)nc2c(-c3ccccc3)cnn21 ZINC000020604791 570951653 /nfs/dbraw/zinc/95/16/53/570951653.db2.gz ZMXIUHMZGSMAIK-UHFFFAOYSA-N -1 0 384.222 5.068 50 0 GKAARM Cc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000033290160 570961162 /nfs/dbraw/zinc/96/11/62/570961162.db2.gz JMTOFXIPYBQFDJ-UHFFFAOYSA-N -1 0 378.544 5.104 50 0 GKAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C(C)C)cs3)cs2)cc1C ZINC000033297722 570962008 /nfs/dbraw/zinc/96/20/08/570962008.db2.gz UBSNNRICLWDWHX-UHFFFAOYSA-N -1 0 392.571 5.413 50 0 GKAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(CC(C)C)cs2)cs1 ZINC000033297742 570962089 /nfs/dbraw/zinc/96/20/89/570962089.db2.gz POGOKWQDJMJZJW-UHFFFAOYSA-N -1 0 392.571 5.179 50 0 GKAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3C)c(C)s2)cs1 ZINC000033308402 570968212 /nfs/dbraw/zinc/96/82/12/570968212.db2.gz IRFDVZPTIRYRPI-UHFFFAOYSA-N -1 0 398.962 5.251 50 0 GKAARM CCc1nc(-c2cc(S(=O)(=O)[N-]c3ccccc3CC)c(C)s2)cs1 ZINC000033308438 570968312 /nfs/dbraw/zinc/96/83/12/570968312.db2.gz JGCBQHLRVLIQQK-UHFFFAOYSA-N -1 0 392.571 5.106 50 0 GKAARM CC(C)c1cccc(C(C)C)c1NC(=O)CCSCc1ccc(C(=O)[O-])cc1 ZINC000012749301 570996993 /nfs/dbraw/zinc/99/69/93/570996993.db2.gz FUPSPRGSIBVDKY-UHFFFAOYSA-N -1 0 399.556 5.894 50 0 GKAARM Cc1cc(NC(=O)c2ccc3[n-]c(=S)oc3c2)ccc1Oc1cccnc1 ZINC000072289525 571047388 /nfs/dbraw/zinc/04/73/88/571047388.db2.gz VJMMWGVMSOMOEI-UHFFFAOYSA-N -1 0 377.425 5.238 50 0 GKAARM CC1(C)[C@@H](C(=O)[O-])CC[C@]1(C)C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000018191934 210216204 /nfs/dbraw/zinc/21/62/04/210216204.db2.gz KAQKKWLHFVNPAG-XMSQKQJNSA-N -1 0 385.891 5.473 50 0 GKAARM O=C([O-])CCc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000014632619 210123580 /nfs/dbraw/zinc/12/35/80/210123580.db2.gz KPJLWYDRVBUVDL-UHFFFAOYSA-N -1 0 387.435 5.065 50 0 GKAARM Cc1[n-]n2c(nc(CSc3ccc(Cl)cc3)cc2=O)c1-c1ccc(F)cc1 ZINC000012653087 209989671 /nfs/dbraw/zinc/98/96/71/209989671.db2.gz MWWJKEMHRZFBEA-UHFFFAOYSA-N -1 0 399.878 5.495 50 0 GKAARM COc1ccc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)[O-])c(OC)c1 ZINC000006588095 209657580 /nfs/dbraw/zinc/65/75/80/209657580.db2.gz SGRIRISNTKDMKC-RGHBXIHOSA-N -1 0 389.451 5.073 50 0 GKAARM Cc1ccc(C)c(/C=C2/C[C@H](C(C)(C)C)Cc3c(C(=O)[O-])c4ccccc4nc32)c1 ZINC000035394622 209657214 /nfs/dbraw/zinc/65/72/14/209657214.db2.gz XIQWQSJJCWYHJQ-DTBYZMGXSA-N -1 0 399.534 6.699 50 0 GKAARM Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CCCC[C@@H]4C(=O)[O-])cc3)sc2c1 ZINC000004657102 209505655 /nfs/dbraw/zinc/50/56/55/209505655.db2.gz GMEIESRUGGZCFX-SJORKVTESA-N -1 0 394.496 5.101 50 0 GKAARM Cc1ccc2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)cc(C(=O)[O-])c2c1 ZINC000002397780 209361097 /nfs/dbraw/zinc/36/10/97/209361097.db2.gz IPTFMSYJGQCZOD-UHFFFAOYSA-N -1 0 398.245 6.475 50 0 GKAARM COc1cccc(-c2nc3ccccc3c(Nc3cccc(Cl)c3)n2)c1[O-] ZINC000002255204 209352165 /nfs/dbraw/zinc/35/21/65/209352165.db2.gz PEAHGUQIPZTJQU-UHFFFAOYSA-N -1 0 377.831 5.408 50 0 GKAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)[O-])occ3-c1ccc2ccccc2c1 ZINC000002137060 209347300 /nfs/dbraw/zinc/34/73/00/209347300.db2.gz LTQIRAVJFBRGBO-UHFFFAOYSA-N -1 0 398.414 5.685 50 0 biogenic GKAARM COc1ccc(C2=Nc3ccccc3N=C(c3cc(Cl)ccc3[O-])C2)cc1 ZINC000001237586 209317958 /nfs/dbraw/zinc/31/79/58/209317958.db2.gz YUKQIEVNXVVISC-UHFFFAOYSA-N -1 0 376.843 5.700 50 0 GKAARM O=C([O-])c1ccccc1NC(=O)c1ccc(CSCc2ccccc2)cc1 ZINC000001173549 209309611 /nfs/dbraw/zinc/30/96/11/209309611.db2.gz GBMKEDKBFXBONU-UHFFFAOYSA-N -1 0 377.465 5.071 50 0 GKAARM O=C([O-])c1c2cc(OCc3cccc(Cl)c3)ccc2oc1-c1ccccc1 ZINC000000639339 209227565 /nfs/dbraw/zinc/22/75/65/209227565.db2.gz DEMIHGMYUZPAGA-UHFFFAOYSA-N -1 0 378.811 6.030 50 0 GKAARM O=c1oc2c(s1)c(Sc1ccccc1)c([O-])cc2Sc1ccccc1 ZINC000002068847 212263079 /nfs/dbraw/zinc/26/30/79/212263079.db2.gz YLPYYHQPAVWPJA-UHFFFAOYSA-N -1 0 384.503 5.863 50 0 GKAARM O=C([O-])c1c2c(sc1NC(=O)c1ccccc1)CCCCCCCCCC2 ZINC000002060392 212263216 /nfs/dbraw/zinc/26/32/16/212263216.db2.gz SBJSAQYHHVYFOB-UHFFFAOYSA-N -1 0 385.529 5.918 50 0 GKAARM O=C(Nc1cc(Cl)c(Cl)c(Cl)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000001920185 212260444 /nfs/dbraw/zinc/26/04/44/212260444.db2.gz JJTDABKGTRPCPL-UHFFFAOYSA-N -1 0 385.461 5.912 50 0 GKAARM [O-]c1ccccc1-c1nc2ccccc2c(N2CCC(Cc3ccccc3)CC2)n1 ZINC000001831795 212257756 /nfs/dbraw/zinc/25/77/56/212257756.db2.gz SGIKEVBFOJBULE-UHFFFAOYSA-N -1 0 395.506 5.462 50 0 GKAARM CC(C)c1ccc(-c2nc(Nc3cccc(Cl)c3)sc2CC(=O)[O-])cc1 ZINC000001176504 212226044 /nfs/dbraw/zinc/22/60/44/212226044.db2.gz RPOGYHBSNIYPMJ-UHFFFAOYSA-N -1 0 386.904 5.958 50 0 GKAARM C[C@H]1CCC[C@H](C)N1C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] ZINC000000823361 212185032 /nfs/dbraw/zinc/18/50/32/212185032.db2.gz IUQLETNBDFJNHI-BQBZGAKWSA-N -1 0 399.101 5.402 50 0 GKAARM O=c1[nH]c(-c2ccc(-c3ccccc3Cl)o2)nc2sc3c(c21)CCCC3 ZINC000000666179 212170911 /nfs/dbraw/zinc/17/09/11/212170911.db2.gz ZDOVBFKHVVVEPI-UHFFFAOYSA-N -1 0 382.872 5.444 50 0 GKAARM CC(C)Oc1ccccc1/C=C1/C[C@H](C)Cc2c1nc1ccccc1c2C(=O)[O-] ZINC000033496195 212160859 /nfs/dbraw/zinc/16/08/59/212160859.db2.gz DTWSUEWGNNDNDA-IYWFSZBXSA-N -1 0 387.479 5.843 50 0 GKAARM O=C([O-])c1ccccc1SCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000003268695 203993886 /nfs/dbraw/zinc/99/38/86/203993886.db2.gz WLLYJAYQYUTTET-UHFFFAOYSA-N -1 0 393.489 5.306 50 0 GKAARM O=C([O-])c1c(Cl)cccc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002582915 203950257 /nfs/dbraw/zinc/95/02/57/203950257.db2.gz VMMSGOVBWSEHAA-UHFFFAOYSA-N -1 0 393.826 5.399 50 0 GKAARM O=C([O-])c1ccccc1S[C@@H](CC(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000004371395 204041622 /nfs/dbraw/zinc/04/16/22/204041622.db2.gz VNNKXHKPVNCETH-NRFANRHFSA-N -1 0 398.430 5.769 50 0 GKAARM O=C([O-])c1cc(-c2ccc(-c3ccc(F)cc3)s2)nc2ccc(Cl)cc21 ZINC000003434868 204006881 /nfs/dbraw/zinc/00/68/81/204006881.db2.gz WNZAEJUTINJWOZ-UHFFFAOYSA-N -1 0 383.831 6.121 50 0 GKAARM CC(C)(C)c1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cc1 ZINC000003626832 204017432 /nfs/dbraw/zinc/01/74/32/204017432.db2.gz DJXVSMAWZRFGJL-FQEVSTJZSA-N -1 0 381.516 5.227 50 0 GKAARM CCC(C)(C)[C@@H]1CCc2c(sc3[n-]c(=S)n(Cc4ccccc4)c(=O)c23)C1 ZINC000003885794 204021332 /nfs/dbraw/zinc/02/13/32/204021332.db2.gz SWEFWJOLTXASBT-OAHLLOKOSA-N -1 0 398.597 5.710 50 0 GKAARM CC(C)=C1CC[C@H](C)[C@](C)(COc2ccc3ccc(=O)oc3c2)[C@@H]1CCC(=O)[O-] ZINC000005533363 204139145 /nfs/dbraw/zinc/13/91/45/204139145.db2.gz CVWWNYPTZYQCSE-GANZUKCXSA-N -1 0 398.499 5.425 50 0 endogenous,in-man GKAARM CC(C)c1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Cl)cc3)n2)cc1 ZINC000009406688 204309604 /nfs/dbraw/zinc/30/96/04/204309604.db2.gz ZDEMVNXGNMXXRR-UHFFFAOYSA-N -1 0 391.858 5.767 50 0 GKAARM Cc1cc(C)cc(NCc2cn(-c3ccc(C(=O)[O-])s3)c3ccccc23)c1 ZINC000009740960 204323727 /nfs/dbraw/zinc/32/37/27/204323727.db2.gz FXTQXEIGFNSUJY-UHFFFAOYSA-N -1 0 376.481 5.619 50 0 GKAARM CC[C@@H](C)Sc1nc(-c2ccc(C)cc2)[n-]c1S(=O)(=O)c1ccccc1 ZINC000012249921 204387447 /nfs/dbraw/zinc/38/74/47/204387447.db2.gz HVRZKEFZZJYFIA-OAHLLOKOSA-N -1 0 386.542 5.109 50 0 GKAARM Cc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccc(C)c(C)c2)CC(=O)N3)cc1 ZINC000064795890 205195120 /nfs/dbraw/zinc/19/51/20/205195120.db2.gz PADMPCLVDBRHER-KRWDZBQOSA-N -1 0 391.492 5.513 50 0 GKAARM Cc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1C ZINC000064795252 205195432 /nfs/dbraw/zinc/19/54/32/205195432.db2.gz RMRLEKREAFHMHT-INIZCTEOSA-N -1 0 377.465 5.204 50 0 GKAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(C(C)C)cc2)on1 ZINC000064845537 205198073 /nfs/dbraw/zinc/19/80/73/205198073.db2.gz BYNJGKPJMUZWBR-UHFFFAOYSA-N -1 0 390.530 5.253 50 0 GKAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2c(C)cc(C)cc2C)on1 ZINC000064845492 205198200 /nfs/dbraw/zinc/19/82/00/205198200.db2.gz JMYZLGDYTFJSFM-UHFFFAOYSA-N -1 0 390.530 5.054 50 0 GKAARM O=C([O-])Cc1sc(-c2ccc(Br)cc2)nc1-c1ccc(F)cc1 ZINC000071770893 205296598 /nfs/dbraw/zinc/29/65/98/205296598.db2.gz NRZRRKRBDRAFDE-UHFFFAOYSA-N -1 0 392.249 5.006 50 0 GKAARM O=C([O-])c1cc(Br)cc2ccc(-c3cccc(C(F)F)c3)nc21 ZINC000071788825 205296768 /nfs/dbraw/zinc/29/67/68/205296768.db2.gz DFVQYNMYDFGQTJ-UHFFFAOYSA-N -1 0 378.172 5.300 50 0 GKAARM O=C([O-])c1cc(-c2cc(Cl)ccc2Cl)nc2cc(Br)ccc21 ZINC000006861824 205820517 /nfs/dbraw/zinc/82/05/17/205820517.db2.gz PGGHCAQKMQXFTH-UHFFFAOYSA-N -1 0 397.055 5.669 50 0 GKAARM CCCCc1ccc(-c2nc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])sc2C)cc1 ZINC000002112279 206211929 /nfs/dbraw/zinc/21/19/29/206211929.db2.gz YYZVHDMGDQXREF-ZWKOTPCHSA-N -1 0 398.528 5.067 50 0 GKAARM CCCCc1ccc(-c2nc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])sc2C)cc1 ZINC000002112285 206212197 /nfs/dbraw/zinc/21/21/97/206212197.db2.gz YYZVHDMGDQXREF-MSOLQXFVSA-N -1 0 398.528 5.067 50 0 GKAARM C[C@@H]1CCC[C@@H](C)N1C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] ZINC000000823360 206325820 /nfs/dbraw/zinc/32/58/20/206325820.db2.gz IUQLETNBDFJNHI-RNFRBKRXSA-N -1 0 399.101 5.402 50 0 GKAARM COc1ccc2ccccc2c1/C=C(/CC(=O)[O-])c1nc2ccccc2s1 ZINC000035681470 206305542 /nfs/dbraw/zinc/30/55/42/206305542.db2.gz KIMYVCWKROYLSE-QINSGFPZSA-N -1 0 375.449 5.473 50 0 GKAARM CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cc2)cc1 ZINC000000991649 206339364 /nfs/dbraw/zinc/33/93/64/206339364.db2.gz GEKMGXOSWJZGLZ-NHCUHLMSSA-N -1 0 393.483 5.382 50 0 GKAARM O=C([O-])c1cnc(-c2ccccc2)nc1Oc1cc(Cl)c(Cl)cc1Cl ZINC000001404971 206379359 /nfs/dbraw/zinc/37/93/59/206379359.db2.gz KCJKKFMNAXDVEL-UHFFFAOYSA-N -1 0 395.629 5.594 50 0 GKAARM CC1(C)CCCC2=C1CC(C)(C)[C@@H](N(C(=O)/C=C/C(=O)[O-])c1ccccc1)C2 ZINC000001748515 206391729 /nfs/dbraw/zinc/39/17/29/206391729.db2.gz SXSWWVPRDDMGOA-SJFMBGHLSA-N -1 0 381.516 5.356 50 0 biogenic GKAARM O=C([O-])c1ccc(NC(=O)c2sc3cccc(OC(F)F)c3c2Cl)cc1 ZINC000002792758 206436101 /nfs/dbraw/zinc/43/61/01/206436101.db2.gz UHIKIMKJNZIMEH-UHFFFAOYSA-N -1 0 397.786 5.107 50 0 GKAARM Cc1c(Cl)ccc2c(C(=O)[O-])cc(-c3ccc(Br)cc3)nc12 ZINC000002526024 206420022 /nfs/dbraw/zinc/42/00/22/206420022.db2.gz XWTCJMYTDLEKRK-UHFFFAOYSA-N -1 0 376.637 5.324 50 0 GKAARM O=C([O-])COc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000004776258 206553761 /nfs/dbraw/zinc/55/37/61/206553761.db2.gz WZLHZWZKPYCHPX-UHFFFAOYSA-N -1 0 394.470 5.533 50 0 GKAARM C[C@@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccccc2OC(F)F)C1 ZINC000005832403 206629365 /nfs/dbraw/zinc/62/93/65/206629365.db2.gz NDTLFHHKRXDBBG-UESPBHMZSA-N -1 0 395.405 5.657 50 0 GKAARM O=C([O-])c1cc(-c2ccc(Cl)cc2Cl)nc2onc(-c3ccccc3)c21 ZINC000020615929 207207022 /nfs/dbraw/zinc/20/70/22/207207022.db2.gz WWSPAHXDOALCCO-UHFFFAOYSA-N -1 0 385.206 5.562 50 0 GKAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2nc(-c3cccs3)cc(C(F)F)c12 ZINC000020615264 207207790 /nfs/dbraw/zinc/20/77/90/207207790.db2.gz UGRKKUSCABJWJA-UHFFFAOYSA-N -1 0 385.395 5.093 50 0 GKAARM O=C([O-])c1cc(/C=C/c2ccc(Cl)cc2)nc2ccc(Br)cc21 ZINC000022145079 207247694 /nfs/dbraw/zinc/24/76/94/207247694.db2.gz KLGMKIOVWBDWPX-XVNBXDOJSA-N -1 0 388.648 5.519 50 0 GKAARM O=C([O-])CC1(CC(=O)Nc2ccc(OCCC3CCCCC3)cc2)CCCC1 ZINC000004689906 220747433 /nfs/dbraw/zinc/74/74/33/220747433.db2.gz PWMCMHJDMGISQE-UHFFFAOYSA-N -1 0 387.520 5.400 50 0 GKAARM Cc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)c2C(=O)[O-])cc1 ZINC000005555047 220880791 /nfs/dbraw/zinc/88/07/91/220880791.db2.gz RWEQQKVGOTXEQL-UHFFFAOYSA-N -1 0 377.421 5.420 50 0 GKAARM O=C([O-])C/C(=C\c1ccc(-c2ccccc2Cl)o1)c1nc2ccccc2o1 ZINC000007780108 221011833 /nfs/dbraw/zinc/01/18/33/221011833.db2.gz QWAKKLOYFXLIGE-ACCUITESSA-N -1 0 379.799 5.757 50 0 GKAARM Cc1cc([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(Cl)cc3)C2)c(=O)o1 ZINC000013122647 221262128 /nfs/dbraw/zinc/26/21/28/221262128.db2.gz MYARBVKHZWNBII-IBGZPJMESA-N -1 0 397.883 5.665 50 0 GKAARM O=c1c2cc(-c3ccccc3)sc2[n-]c(=S)n1CCc1cccc(Cl)c1 ZINC000017081637 221378917 /nfs/dbraw/zinc/37/89/17/221378917.db2.gz FDMDVSRMXGPYSR-UHFFFAOYSA-N -1 0 398.940 5.684 50 0 GKAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)c(C)c1 ZINC000065004371 222093448 /nfs/dbraw/zinc/09/34/48/222093448.db2.gz COVDOZWZRSQRMI-UHFFFAOYSA-N -1 0 388.514 5.088 50 0 GKAARM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)c(C)c1 ZINC000065004109 222093999 /nfs/dbraw/zinc/09/39/99/222093999.db2.gz LQMFRKGDFKRLDD-UHFFFAOYSA-N -1 0 388.514 5.007 50 0 GKAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1C ZINC000064845815 222084817 /nfs/dbraw/zinc/08/48/17/222084817.db2.gz PMEZBBQNYXOMSW-UHFFFAOYSA-N -1 0 390.530 5.054 50 0 GKAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cccc3ccccc32)on1 ZINC000064845620 222085002 /nfs/dbraw/zinc/08/50/02/222085002.db2.gz ISOHAPOKXJAREL-UHFFFAOYSA-N -1 0 398.509 5.282 50 0 GKAARM CCn1c(SCCCCCCCCCCC(=O)[O-])nnc1-c1cccs1 ZINC000072408205 222255156 /nfs/dbraw/zinc/25/51/56/222255156.db2.gz AWSHHADVRNNEEA-UHFFFAOYSA-N -1 0 395.594 5.714 50 0 GKAARM CCCOc1cc2c(cc1/C(C)=C\C=C\C(C)=C\C(=O)[O-])C(C)(C)CCC2(C)C ZINC000001892655 560185232 /nfs/dbraw/zinc/18/52/32/560185232.db2.gz HNODNXQAYXJFMQ-LQUSFLDPSA-N -1 0 396.571 6.815 50 0 in-vitro GKAARM COc1ccccc1[N-]S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000000752303 570222025 /nfs/dbraw/zinc/22/20/25/570222025.db2.gz ZAJGZKARFLQIND-UHFFFAOYSA-N -1 0 389.561 5.866 50 0 GKAARM CC(C)(C)c1ccc(Oc2ccc(NC(=O)CC(C)(C)CC(=O)[O-])cn2)cc1 ZINC000001034052 570236447 /nfs/dbraw/zinc/23/64/47/570236447.db2.gz RKFALKGSYROJBO-UHFFFAOYSA-N -1 0 384.476 5.001 50 0 GKAARM CC(=O)C(=C([O-])c1ccc(F)cc1)[C@@H]1c2ccccc2Oc2ccc(F)cc21 ZINC000001156089 570250326 /nfs/dbraw/zinc/25/03/26/570250326.db2.gz GFWZLBUJKQZGSQ-FCHUYYIVSA-N -1 0 378.374 5.291 50 0 GKAARM CCCCCCn1c(=O)c(C(=O)Nc2cccc(Cl)c2)c([O-])c2ccccc21 ZINC000100534644 570272916 /nfs/dbraw/zinc/27/29/16/570272916.db2.gz ZAFWMQIAHFSLGV-UHFFFAOYSA-N -1 0 398.890 5.193 50 0 GKAARM O=S(=O)([N-]c1ccc(SC(F)F)cc1)c1cc(Cl)sc1Cl ZINC000020626932 570273235 /nfs/dbraw/zinc/27/32/35/570273235.db2.gz YUNYHIUHJXMBID-UHFFFAOYSA-N -1 0 390.285 5.170 50 0 GKAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)[O-])occ3-c1ccc(Cl)cc1 ZINC000002137365 570275589 /nfs/dbraw/zinc/27/55/89/570275589.db2.gz GMCMEYZNEXEIDX-UHFFFAOYSA-N -1 0 382.799 5.185 50 0 biogenic GKAARM O=C([O-])c1ccn2c(cc(-c3ccc(Br)cc3)c2-c2ccccc2)c1 ZINC000005769949 570276551 /nfs/dbraw/zinc/27/65/51/570276551.db2.gz HAQXEPINZUVBBK-UHFFFAOYSA-N -1 0 392.252 5.734 50 0 GKAARM CC[C@H](C)Sc1nc(-c2ccc(C)cc2)[n-]c1S(=O)(=O)c1ccccc1 ZINC000012249922 570277622 /nfs/dbraw/zinc/27/76/22/570277622.db2.gz HVRZKEFZZJYFIA-HNNXBMFYSA-N -1 0 386.542 5.109 50 0 GKAARM [O-]c1ccccc1-c1nc2ccccc2c(Oc2cccc(Cl)c2Cl)n1 ZINC000002435300 570286880 /nfs/dbraw/zinc/28/68/80/570286880.db2.gz BMLQDILBOVXCGY-UHFFFAOYSA-N -1 0 383.234 6.102 50 0 GKAARM Cc1cc(C)c(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)[O-])c1 ZINC000002582935 570291620 /nfs/dbraw/zinc/29/16/20/570291620.db2.gz CYJNVHVNGJMWLC-UHFFFAOYSA-N -1 0 387.435 5.363 50 0 GKAARM O=S(=O)([N-]c1ccccc1Sc1ccccc1)c1ccc(Cl)cc1 ZINC000002858172 570310411 /nfs/dbraw/zinc/31/04/11/570310411.db2.gz QERMBGQKEWDPLS-UHFFFAOYSA-N -1 0 375.902 5.292 50 0 GKAARM C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](CC(=O)[O-])CC[C@]43C)[C@H]1CC=C2c1cccnc1 ZINC000584578812 570311972 /nfs/dbraw/zinc/31/19/72/570311972.db2.gz XVUVTBXRRNCXAB-PIMBGSOCSA-N -1 0 391.555 6.129 50 0 GKAARM COc1cccc(C([O-])=C(C(C)=O)[C@H]2c3ccccc3Oc3ccc(F)cc32)c1 ZINC000072188356 570312729 /nfs/dbraw/zinc/31/27/29/570312729.db2.gz YZIXUZWWQQBTQZ-GOTSBHOMSA-N -1 0 390.410 5.160 50 0 GKAARM COc1cc(/C=C(/C(=O)[O-])c2ccc(-c3ccccc3)cc2)cc(OC)c1OC ZINC000003226899 570333040 /nfs/dbraw/zinc/33/30/40/570333040.db2.gz BGBZINXZBCPRCI-DEDYPNTBSA-N -1 0 390.435 5.005 50 0 GKAARM Cc1ccc(CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000032948516 570341169 /nfs/dbraw/zinc/34/11/69/570341169.db2.gz VHBYDISZLXKUHC-UHFFFAOYSA-N -1 0 397.550 5.106 50 0 GKAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000003918156 570353544 /nfs/dbraw/zinc/35/35/44/570353544.db2.gz SMEROWZSTRWXGI-HVATVPOCSA-N -1 0 376.581 5.507 50 0 endogenous,investigational GKAARM Cc1ccc(S[C@@H](CC(=O)c2ccc(C3CCCCC3)cc2)C(=O)[O-])cc1 ZINC000004118433 570358071 /nfs/dbraw/zinc/35/80/71/570358071.db2.gz IQRUXOCQSJAEKD-QFIPXVFZSA-N -1 0 382.525 5.861 50 0 GKAARM Cc1cccc(NC(=O)c2cccc(OC(=S)[N-]c3cccc(C)c3C)c2)c1 ZINC000004179189 570361530 /nfs/dbraw/zinc/36/15/30/570361530.db2.gz YWJWAZUXFDMJSR-UHFFFAOYSA-N -1 0 390.508 5.640 50 0 GKAARM O=c1c2ccc([O-])cc2oc(C(F)(F)F)c1-c1ccc(Cl)cc1Cl ZINC000004226050 570363366 /nfs/dbraw/zinc/36/33/66/570363366.db2.gz ZPLBTMULPSZYJE-UHFFFAOYSA-N -1 0 375.129 5.491 50 0 biogenic GKAARM CSc1cccc(NC(=O)C[C@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)c1 ZINC000004371622 570371932 /nfs/dbraw/zinc/37/19/32/570371932.db2.gz MADAZVGQGNYULE-CYBMUJFWSA-N -1 0 397.418 5.014 50 0 GKAARM C[C@@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccccc2OC(F)F)C1 ZINC000033584068 570409150 /nfs/dbraw/zinc/40/91/50/570409150.db2.gz NDTLFHHKRXDBBG-FRRXJZEGSA-N -1 0 395.405 5.657 50 0 GKAARM CCCc1ccc(Oc2c(=O)c3ccc([O-])c(C)c3oc2C(F)(F)F)cc1 ZINC000005408322 570437800 /nfs/dbraw/zinc/43/78/00/570437800.db2.gz LWWMLCNUAKFAAP-UHFFFAOYSA-N -1 0 378.346 5.571 50 0 GKAARM COc1cccc(/C=C/c2ccc3cccc(O)c3n2)c1OCc1ccccc1 ZINC000005586831 570447890 /nfs/dbraw/zinc/44/78/90/570447890.db2.gz UFKUKQVKVOMOBE-JQIJEIRASA-N -1 0 383.447 5.698 50 0 GKAARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1OCc1ccccc1)N2 ZINC000252617351 570454441 /nfs/dbraw/zinc/45/44/41/570454441.db2.gz KRADZVVFMGTWBM-FHAGJXEFSA-N -1 0 397.474 5.790 50 0 GKAARM CCOc1cc2c(cc1/C=C(\CC(=O)[O-])c1nc3ccccc3s1)O[C@H](C)C2 ZINC000006410781 570479562 /nfs/dbraw/zinc/47/95/62/570479562.db2.gz ICWOJUYRMNNXEL-BPKVKKHESA-N -1 0 395.480 5.034 50 0 GKAARM O=C([O-])C[C@@H]1CCn2c3cc(F)ccc3c(Sc3ccc(Cl)cc3)c21 ZINC000006745293 570491564 /nfs/dbraw/zinc/49/15/64/570491564.db2.gz GSBAVONRPNJJOH-NSHDSACASA-N -1 0 375.852 5.547 50 0 in-vivo GKAARM O=C([O-])[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)c1ccccc1 ZINC000030822771 570496885 /nfs/dbraw/zinc/49/68/85/570496885.db2.gz AQEVAFZLDGPQFC-MRXNPFEDSA-N -1 0 390.386 5.080 50 0 GKAARM O=C([O-])[C@@H](Sc1nc(-c2cccs2)cc(C(F)(F)F)n1)c1ccccc1 ZINC000030822752 570496943 /nfs/dbraw/zinc/49/69/43/570496943.db2.gz FUIZRZHIKOSMRK-AWEZNQCLSA-N -1 0 396.415 5.142 50 0 GKAARM CCCOc1ccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)cc1 ZINC000002753477 570513858 /nfs/dbraw/zinc/51/38/58/570513858.db2.gz JKYDOMJDYPIFSJ-UHFFFAOYSA-N -1 0 386.245 5.151 50 0 GKAARM Cc1cc2c([nH]c(C(=O)[O-])c2-c2ccccc2)c(NC(=O)Nc2ccccc2)c1 ZINC000032918927 570516089 /nfs/dbraw/zinc/51/60/89/570516089.db2.gz GDUQSORQUYQHAP-UHFFFAOYSA-N -1 0 385.423 5.486 50 0 GKAARM O=[P@]([O-])(Oc1ccccc1)O[C@@H](c1ccccc1)C(F)(F)C(F)(F)F ZINC000005257437 570527834 /nfs/dbraw/zinc/52/78/34/570527834.db2.gz DDMKGQFAWYUEEW-ZDUSSCGKSA-N -1 0 382.221 5.121 50 0 GKAARM Cc1ccc(C)c(CN2c3cc(C(=O)[O-])ccc3Sc3ccccc3C2=O)c1 ZINC000003028985 570528815 /nfs/dbraw/zinc/52/88/15/570528815.db2.gz MWMSIWPFUJYNRC-UHFFFAOYSA-N -1 0 389.476 5.313 50 0 GKAARM O=C(CSCc1cccc2ccccc21)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000008908753 570542929 /nfs/dbraw/zinc/54/29/29/570542929.db2.gz NZQQTWVYSMWXTF-UHFFFAOYSA-N -1 0 392.307 5.724 50 0 GKAARM Cc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccc(C)cc2)CC(=O)N3)cc1 ZINC000064795887 570546743 /nfs/dbraw/zinc/54/67/43/570546743.db2.gz WHPFGBSZBYPCDH-MRXNPFEDSA-N -1 0 377.465 5.204 50 0 GKAARM CCc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)cc1 ZINC000064795907 570546813 /nfs/dbraw/zinc/54/68/13/570546813.db2.gz FMQKGYQLDIPQBO-QGZVFWFLSA-N -1 0 391.492 5.458 50 0 GKAARM Cc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)c1 ZINC000064795487 570546891 /nfs/dbraw/zinc/54/68/91/570546891.db2.gz MAMINYZOTLREQM-HNNXBMFYSA-N -1 0 397.883 5.549 50 0 GKAARM Cc1ccccc1NC(=O)c1c(C)nc([N-]c2nc3ccccc3s2)nc1C ZINC000009015850 570546952 /nfs/dbraw/zinc/54/69/52/570546952.db2.gz IQFGNSRQXIDRSG-UHFFFAOYSA-N -1 0 389.484 5.007 50 0 GKAARM CC(C)(C)c1ccc(C(=O)C[C@H](SCc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000005284297 570549771 /nfs/dbraw/zinc/54/97/71/570549771.db2.gz QGPCQMNQXSYVEI-IBGZPJMESA-N -1 0 390.932 5.597 50 0 GKAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(Cl)cc2)c1C ZINC000064845692 570565675 /nfs/dbraw/zinc/56/56/75/570565675.db2.gz GNKDEZHAWYKILQ-UHFFFAOYSA-N -1 0 396.921 5.091 50 0 GKAARM CCc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Cl)cc3)n2)cc1 ZINC000006749016 570567098 /nfs/dbraw/zinc/56/70/98/570567098.db2.gz WYWCVKHRKXHMJX-UHFFFAOYSA-N -1 0 377.831 5.206 50 0 GKAARM O=c1c2ccc([O-])cc2oc(C(F)(F)F)c1Oc1ccc(Cl)cc1Cl ZINC000005450539 570595965 /nfs/dbraw/zinc/59/59/65/570595965.db2.gz JRTXGNGQNDVFMP-UHFFFAOYSA-N -1 0 391.128 5.617 50 0 GKAARM COc1cccc(-c2nc3ccccc3c(Nc3ccccc3Cl)n2)c1[O-] ZINC000006848448 570646691 /nfs/dbraw/zinc/64/66/91/570646691.db2.gz NPEKQTRVORLPEA-UHFFFAOYSA-N -1 0 377.831 5.408 50 0 GKAARM [O-]c1c(Cl)cc(Cl)cc1/C=C(/c1nc2ccccc2[nH]1)c1ccccc1 ZINC000012375723 570649036 /nfs/dbraw/zinc/64/90/36/570649036.db2.gz MEPVSOQGRKRUBQ-LFIBNONCSA-N -1 0 381.262 6.164 50 0 GKAARM O=S(=O)([N-]c1ccccc1Sc1ccccc1)c1ccc2ccccc2c1 ZINC000005653012 570680474 /nfs/dbraw/zinc/68/04/74/570680474.db2.gz ZJVGGLFOZCQZOZ-UHFFFAOYSA-N -1 0 391.517 5.792 50 0 GKAARM COc1ccc2sc([N-]c3nc(-c4nc5ccccc5s4)cs3)nc2c1 ZINC000004359830 570706171 /nfs/dbraw/zinc/70/61/71/570706171.db2.gz AWWGRTXLFRVFCI-UHFFFAOYSA-N -1 0 396.522 5.782 50 0 GKAARM O=C([O-])c1ccc(CSCc2cc(-c3ccc(Cl)cc3Cl)no2)cc1 ZINC000025053902 570707208 /nfs/dbraw/zinc/70/72/08/570707208.db2.gz VCHJBJGXPPPPPQ-UHFFFAOYSA-N -1 0 394.279 5.780 50 0 GKAARM CCc1ccc2nc(-c3ccc(-c4ccccc4Cl)o3)cc(C(=O)[O-])c2c1 ZINC000000934743 570727257 /nfs/dbraw/zinc/72/72/57/570727257.db2.gz QZNRRWAORNZHKS-UHFFFAOYSA-N -1 0 377.827 6.076 50 0 GKAARM O=C([O-])c1cc(/C=C/c2ccccc2OCc2ccccn2)nc2ccccc21 ZINC000025175088 570740099 /nfs/dbraw/zinc/74/00/99/570740099.db2.gz BIHDUFNRYGPHRO-OUKQBFOZSA-N -1 0 382.419 5.077 50 0 GKAARM O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(Cl)cc1 ZINC000102679799 570858201 /nfs/dbraw/zinc/85/82/01/570858201.db2.gz DRIPZOYDNRCQGK-SFHVURJKSA-N -1 0 391.858 5.445 50 0 GKAARM Cc1ccc(OCCSc2nc3ccccc3n2CCC(=O)[O-])c(C(C)C)c1 ZINC000013576117 570898863 /nfs/dbraw/zinc/89/88/63/570898863.db2.gz YFEYAVVREMGIFK-UHFFFAOYSA-N -1 0 398.528 5.114 50 0 GKAARM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000016129188 570914599 /nfs/dbraw/zinc/91/45/99/570914599.db2.gz GJYZJIOFFWHNQT-UHFFFAOYSA-N -1 0 377.815 5.283 50 0 GKAARM O=C([O-])c1ccccc1C(=O)O[C@H]1CCCCCc2ccc(cc2)CCCC1 ZINC000004533113 570949803 /nfs/dbraw/zinc/94/98/03/570949803.db2.gz BRYOPFOFPIEBGP-FQEVSTJZSA-N -1 0 380.484 5.440 50 0 GKAARM Cc1cc2oc(=O)c(CC(=O)[O-])c(C)c2c2occ(-c3ccc(Cl)cc3)c21 ZINC000002120094 570953752 /nfs/dbraw/zinc/95/37/52/570953752.db2.gz PEIRNQDNSFONCR-UHFFFAOYSA-N -1 0 382.799 5.104 50 0 biogenic GKAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)c(C)s2)n1 ZINC000033289949 570960673 /nfs/dbraw/zinc/96/06/73/570960673.db2.gz QQVRDNOTXZKALQ-UHFFFAOYSA-N -1 0 398.962 5.251 50 0 GKAARM CCc1cccc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C)s3)sc2C)c1 ZINC000033290078 570960807 /nfs/dbraw/zinc/96/08/07/570960807.db2.gz CSEFQTUMMWQQQU-UHFFFAOYSA-N -1 0 392.571 5.160 50 0 GKAARM CSc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C)c(C)s2)cs1 ZINC000033297688 570961950 /nfs/dbraw/zinc/96/19/50/570961950.db2.gz SNCULVNMWGFOHM-UHFFFAOYSA-N -1 0 396.584 5.011 50 0 GKAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)cc1 ZINC000033297806 570962237 /nfs/dbraw/zinc/96/22/37/570962237.db2.gz FHKFUMUHTLAOMI-UHFFFAOYSA-N -1 0 392.571 5.278 50 0 GKAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(C(C)C)cs3)s2)c(F)c1 ZINC000033310140 570969882 /nfs/dbraw/zinc/96/98/82/570969882.db2.gz OIOBQEFKSHQZRA-UHFFFAOYSA-N -1 0 396.534 5.243 50 0 GKAARM COc1cc(/C=C/C(=O)[O-])cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000011896119 571005623 /nfs/dbraw/zinc/00/56/23/571005623.db2.gz NOLLYRNYNUFJRI-HWKANZROSA-N -1 0 387.646 5.332 50 0 GKAARM CCCCC(=O)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1 ZINC000002212028 571032986 /nfs/dbraw/zinc/03/29/86/571032986.db2.gz QUMRYAMSVIRQMO-UHFFFAOYSA-N -1 0 389.249 5.092 50 0 GKAARM Cc1nc2c(-c3ccccc3)c(C(F)(F)F)[n-]n2c(=O)c1Cc1ccccc1 ZINC000095481180 230996498 /nfs/dbraw/zinc/99/64/98/230996498.db2.gz FMYGPNCWURXBJA-UHFFFAOYSA-N -1 0 383.373 5.020 50 0 GKAARM CC(C)(C)[C@H]1CCc2c(sc3c2[C@@H](c2ccc(C(=O)[O-])cc2)CC(=O)N3)C1 ZINC000015107624 210152228 /nfs/dbraw/zinc/15/22/28/210152228.db2.gz TUFXWLVRQXFKOB-GOEBONIOSA-N -1 0 383.513 5.071 50 0 GKAARM COc1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)cc(Cl)c1OC(C)C ZINC000013039397 210050336 /nfs/dbraw/zinc/05/03/36/210050336.db2.gz NDWRCNDVTAWYRN-CMDGGOBGSA-N -1 0 397.858 5.553 50 0 GKAARM O=C([O-])C/C(=C\c1csc(-c2ccc(F)cc2)n1)c1nc2ccccc2s1 ZINC000012920019 210030953 /nfs/dbraw/zinc/03/09/53/210030953.db2.gz PDOZQIVIOATACI-UKTHLTGXSA-N -1 0 396.468 5.574 50 0 GKAARM