smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([C@H]2C([O-])=C(C(=O)c3ccc(Cl)cc3)C(=O)CC2(C)C)on1 ZINC000100551812 936222138 /nfs/dbraw/zinc/22/21/38/936222138.db2.gz KCFZLJTYWBJNEP-HOTGVXAUSA-N -1 0 359.809 3.787 50 0 FHAARM Cc1ccc([C@H]2C[C@H](C)N(C(=O)N=c3ccc(C(F)(F)F)n[n-]3)C2)cc1 ZINC000332708227 945272785 /nfs/dbraw/zinc/27/27/85/945272785.db2.gz YETLHLVAXITUDM-JSGCOSHPSA-N -1 0 364.371 3.636 50 0 FHAARM CCc1cc2c(nc3n(c2=O)CC/C3=C\c2ccc(C(=O)[O-])cc2)s1 ZINC000013344227 941082099 /nfs/dbraw/zinc/08/20/99/941082099.db2.gz VKXHBKQWPDGYOR-UKTHLTGXSA-N -1 0 352.415 3.663 50 0 FHAARM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2sc3cc(Cl)ccc3c2Cl)C1 ZINC000262443365 946598695 /nfs/dbraw/zinc/59/86/95/946598695.db2.gz GYWSZQCZRJCUGN-WCBMZHEXSA-N -1 0 374.245 3.522 50 0 FHAARM O=C([O-])c1cccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000001157403 219383189 /nfs/dbraw/zinc/38/31/89/219383189.db2.gz JIFZYUZRYZGPAT-RMKNXTFCSA-N -1 0 360.822 3.565 50 0 FHAARM Cc1cc(O[C@@H](C)C(=O)[O-])c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000001178013 219385257 /nfs/dbraw/zinc/38/52/57/219385257.db2.gz ZOUCUTUYRHWVDD-AWEZNQCLSA-N -1 0 352.386 3.853 50 0 FHAARM CCOc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1cccc(C)c1 ZINC000000807754 203953208 /nfs/dbraw/zinc/95/32/08/203953208.db2.gz WGTNRVFHDJIHAW-LPHOPBHVSA-N -1 0 373.474 3.761 50 0 FHAARM Cc1[n-]n(-c2ccccc2)c2ncc(C(=O)Nc3cc(C)ccc3C)c(=O)c1-2 ZINC000010166781 204001340 /nfs/dbraw/zinc/00/13/40/204001340.db2.gz OQCMFBQQDOSNIZ-UHFFFAOYSA-N -1 0 372.428 3.891 50 0 FHAARM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)c1Cl ZINC000001427071 204005362 /nfs/dbraw/zinc/00/53/62/204005362.db2.gz VUQSDLSDBVDBJZ-UHFFFAOYSA-N -1 0 356.234 3.979 50 0 FHAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccncc2)c1=O ZINC000002273284 204031983 /nfs/dbraw/zinc/03/19/83/204031983.db2.gz IHGFRIBVAUJYLL-UHFFFAOYSA-N -1 0 351.406 3.545 50 0 biogenic,in-vitro FHAARM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1cc2ccccc2o1 ZINC000002997929 204073022 /nfs/dbraw/zinc/07/30/22/204073022.db2.gz DCPROSARNHUIFZ-UHFFFAOYSA-N -1 0 354.387 3.566 50 0 FHAARM CC(C)(F)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002583183 204044718 /nfs/dbraw/zinc/04/47/18/204044718.db2.gz DYIMQSXNKQSKCE-QGZVFWFLSA-N -1 0 357.381 3.726 50 0 FHAARM O=C([O-])[C@H]1CCCC[C@H]1CC(=O)c1cccc(I)c1 ZINC000002579649 204045475 /nfs/dbraw/zinc/04/54/75/204045475.db2.gz KRBZJRBTKJYOEH-GWCFXTLKSA-N -1 0 372.202 3.755 50 0 FHAARM O=S(=O)([N-]c1ncnc2sc3c(c21)CCC3)c1ccc(Cl)s1 ZINC000002659514 204051161 /nfs/dbraw/zinc/05/11/61/204051161.db2.gz PBWHFFIASCCHHV-UHFFFAOYSA-N -1 0 371.896 3.696 50 0 FHAARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])nc1-c1ccc(F)cc1 ZINC000002738022 204054624 /nfs/dbraw/zinc/05/46/24/204054624.db2.gz XWJJYBAUSQFKSQ-ZIAGYGMSSA-N -1 0 360.410 3.863 50 0 FHAARM Cc1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])nc1-c1ccc(F)cc1 ZINC000002738021 204055141 /nfs/dbraw/zinc/05/51/41/204055141.db2.gz XWJJYBAUSQFKSQ-UONOGXRCSA-N -1 0 360.410 3.863 50 0 FHAARM COc1cc(-c2n[n-]c(=S)n2-c2ccc(C)cc2)cc(OC)c1OC ZINC000002824579 204060909 /nfs/dbraw/zinc/06/09/09/204060909.db2.gz BDLQMACZZDLBTB-UHFFFAOYSA-N -1 0 357.435 3.931 50 0 FHAARM CCc1cc2c(cc1O[C@H](C)C(=O)[O-])occ(-c1nc(C)cs1)c2=O ZINC000003893455 204112774 /nfs/dbraw/zinc/11/27/74/204112774.db2.gz JVILWAGZYKXLNC-SNVBAGLBSA-N -1 0 359.403 3.639 50 0 biogenic FHAARM Cc1cc(O[C@H](C(=O)[O-])c2ccccc2)c2c3c(c(=O)oc2c1)CCC3 ZINC000004029857 204118528 /nfs/dbraw/zinc/11/85/28/204118528.db2.gz IFNNROYPOKHTJN-IBGZPJMESA-N -1 0 350.370 3.795 50 0 biogenic FHAARM Cc1ccc(C(=O)N2[C@@H](c3ccccc3Cl)SC[C@@H]2C(=O)[O-])cc1 ZINC000003620467 204109437 /nfs/dbraw/zinc/10/94/37/204109437.db2.gz BDCKQLQRWJGVHI-NVXWUHKLSA-N -1 0 361.850 3.989 50 0 FHAARM O=C([O-])[C@H](Cc1ccccc1)Nc1ncnc2sc3c(c21)CCCC3 ZINC000004812385 204165807 /nfs/dbraw/zinc/16/58/07/204165807.db2.gz IJEMRPVLHOGIGC-AWEZNQCLSA-N -1 0 353.447 3.678 50 0 FHAARM Cc1cc([N-]S(=O)(=O)c2ccccc2Cl)ccc1N1CCCC1=O ZINC000005329320 204203918 /nfs/dbraw/zinc/20/39/18/204203918.db2.gz RJDXIQPXMYLRRY-UHFFFAOYSA-N -1 0 364.854 3.576 50 0 FHAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000005602610 204217188 /nfs/dbraw/zinc/21/71/88/204217188.db2.gz BNNKAAJMTNTJHL-UHFFFAOYSA-N -1 0 367.780 3.510 50 0 FHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000005598747 204217423 /nfs/dbraw/zinc/21/74/23/204217423.db2.gz QENXJBGJBXOXMP-UHFFFAOYSA-N -1 0 361.341 3.523 50 0 FHAARM COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000005030469 204185910 /nfs/dbraw/zinc/18/59/10/204185910.db2.gz CDKHZUUVLKBKCR-MRXNPFEDSA-N -1 0 372.446 3.689 50 0 FHAARM CC[C@@H](Sc1nnc(C)c(=O)[n-]1)C(=O)Nc1cccc2ccccc21 ZINC000005095127 204191810 /nfs/dbraw/zinc/19/18/10/204191810.db2.gz DQDGDXQICZPJBP-OAHLLOKOSA-N -1 0 354.435 3.548 50 0 biogenic FHAARM CN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C1=O ZINC000005112719 204192620 /nfs/dbraw/zinc/19/26/20/204192620.db2.gz VRIIVWCUJUQDMV-NTUHNPAUSA-N -1 0 363.778 3.964 50 0 FHAARM O=C(Cc1ccccc1)NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000005840228 204226950 /nfs/dbraw/zinc/22/69/50/204226950.db2.gz QIDDYYSCMSGRBA-UHFFFAOYSA-N -1 0 355.246 3.755 50 0 FHAARM O=C([O-])c1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000006529542 204252464 /nfs/dbraw/zinc/25/24/64/204252464.db2.gz NELSKKNVPCATOW-UHFFFAOYSA-N -1 0 374.396 3.567 50 0 FHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000006590102 204254272 /nfs/dbraw/zinc/25/42/72/204254272.db2.gz ICVUHQWTNCQJBA-LSDHHAIUSA-N -1 0 367.430 3.668 50 0 FHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000006590101 204254986 /nfs/dbraw/zinc/25/49/86/204254986.db2.gz ICVUHQWTNCQJBA-HUUCEWRRSA-N -1 0 367.430 3.668 50 0 FHAARM O=C([O-])C[C@@H](CNC(=O)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1 ZINC000006759808 204267160 /nfs/dbraw/zinc/26/71/60/204267160.db2.gz XZVGHCZWECWKNL-AWEZNQCLSA-N -1 0 370.836 3.739 50 0 FHAARM COc1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)s2)c1 ZINC000006887764 204279644 /nfs/dbraw/zinc/27/96/44/204279644.db2.gz CHUIFJQOFDHAJH-UHFFFAOYSA-N -1 0 350.421 3.521 50 0 FHAARM O=C([O-])c1ccc(OS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 ZINC000008345631 204328954 /nfs/dbraw/zinc/32/89/54/204328954.db2.gz MSOAJZFNWOBTQL-UHFFFAOYSA-N -1 0 353.204 3.521 50 0 FHAARM CCOc1ccccc1Nc1nc(=O)c(Cc2ccccc2Cl)n[n-]1 ZINC000008578425 204334440 /nfs/dbraw/zinc/33/44/40/204334440.db2.gz NATKOCPBFXUMJI-UHFFFAOYSA-N -1 0 356.813 3.551 50 0 FHAARM Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1Cc1ccc(C(C)(C)C)cc1 ZINC000008771397 204344990 /nfs/dbraw/zinc/34/49/90/204344990.db2.gz SEURGKCEJGDLPH-UHFFFAOYSA-N -1 0 350.466 3.769 50 0 FHAARM O=C([O-])Cc1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1 ZINC000009043879 204353018 /nfs/dbraw/zinc/35/30/18/204353018.db2.gz BUKVDFRKLWQRDI-UHFFFAOYSA-N -1 0 358.191 3.997 50 0 FHAARM CCCOc1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])ccc1Cl ZINC000009061838 204353333 /nfs/dbraw/zinc/35/33/33/204353333.db2.gz MIJRCGGTHSENOU-UHFFFAOYSA-N -1 0 369.826 3.628 50 0 FHAARM CC(=O)Nc1cc(C(=O)CSc2ccc3ccccc3n2)ccc1[O-] ZINC000008720861 204340974 /nfs/dbraw/zinc/34/09/74/204340974.db2.gz CUOPNEYJHAZGOX-UHFFFAOYSA-N -1 0 352.415 3.874 50 0 FHAARM O=C([O-])c1ccccc1SCc1cc(=O)n2c(n1)sc1c2CCCC1 ZINC000013367648 204528947 /nfs/dbraw/zinc/52/89/47/204528947.db2.gz SBTDIEFFYNQNMC-UHFFFAOYSA-N -1 0 372.471 3.625 50 0 FHAARM COc1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1C(=O)[O-] ZINC000013393081 204529855 /nfs/dbraw/zinc/52/98/55/204529855.db2.gz RHZDRYMHZYTBKG-UHFFFAOYSA-N -1 0 369.348 3.723 50 0 FHAARM CC(C)c1ccc(-c2nc(CC(=O)N3CCC(C(=O)[O-])CC3)cs2)cc1 ZINC000032072547 204924220 /nfs/dbraw/zinc/92/42/20/204924220.db2.gz WANWIVOSMXBHTH-UHFFFAOYSA-N -1 0 372.490 3.799 50 0 FHAARM Cc1cc(OCc2ccc([C@@H]3N[C@@H](C(=O)[O-])CS3)o2)ccc1Cl ZINC000036624040 205018264 /nfs/dbraw/zinc/01/82/64/205018264.db2.gz XJESZXOUKUJGHR-UKRRQHHQSA-N -1 0 353.827 3.609 50 0 FHAARM O=C([O-])c1ccc(CNC(=O)CCn2ccc3ccc(Cl)cc32)cc1 ZINC000040267108 205064125 /nfs/dbraw/zinc/06/41/25/205064125.db2.gz LTGGWCSSHOJFCV-UHFFFAOYSA-N -1 0 356.809 3.699 50 0 FHAARM O=C([O-])c1ccc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(F)c2)cc1 ZINC000040287855 205064931 /nfs/dbraw/zinc/06/49/31/205064931.db2.gz PZTGFDRBKNCTKO-OAHLLOKOSA-N -1 0 351.337 3.833 50 0 FHAARM O=C([O-])c1cn(-c2ccccc2Cl)c2c1NC(=O)C[C@@H]2c1cccnc1 ZINC000049550457 205173948 /nfs/dbraw/zinc/17/39/48/205173948.db2.gz NHXVTFZLACLJBI-GFCCVEGCSA-N -1 0 367.792 3.698 50 0 FHAARM O=C(NC1(c2ccccc2)CCC1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000051418711 205181845 /nfs/dbraw/zinc/18/18/45/205181845.db2.gz BURCGIKYLRTYQO-UHFFFAOYSA-N -1 0 351.431 3.807 50 0 FHAARM O=C(Nc1cccc(OC(F)F)c1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000053434560 205193645 /nfs/dbraw/zinc/19/36/45/205193645.db2.gz ZGVURSKNALKRBA-UHFFFAOYSA-N -1 0 363.345 3.852 50 0 FHAARM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nnc(C(C)C)o2)o1 ZINC000065246307 205328181 /nfs/dbraw/zinc/32/81/81/205328181.db2.gz SQPSMYLPFUWNNT-UHFFFAOYSA-N -1 0 365.386 3.701 50 0 FHAARM Cc1ccc2[nH]c(=O)c(-c3nc(-c4ccc(F)c(F)c4)no3)c([O-])c2c1 ZINC000065248661 205328257 /nfs/dbraw/zinc/32/82/57/205328257.db2.gz HRTYCUWYACMHMB-UHFFFAOYSA-N -1 0 355.300 3.537 50 0 FHAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C(C)C)o3)o2)cc1C ZINC000065246295 205328808 /nfs/dbraw/zinc/32/88/08/205328808.db2.gz IQQPCQUSAFPWDN-UHFFFAOYSA-N -1 0 361.423 3.871 50 0 FHAARM Cc1sc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1-c1ccno1 ZINC000064845015 205307124 /nfs/dbraw/zinc/30/71/24/205307124.db2.gz ZCJNAPHQLNKRFG-UHFFFAOYSA-N -1 0 352.412 3.960 50 0 FHAARM Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)[N-]c1ccccc1C ZINC000064947018 205309417 /nfs/dbraw/zinc/30/94/17/205309417.db2.gz FFTWWGZANJUWLJ-UHFFFAOYSA-N -1 0 355.463 3.907 50 0 FHAARM O=S(=O)([N-]c1ccccc1F)c1ccc(-c2nnc(C3CC3)o2)s1 ZINC000064920188 205310430 /nfs/dbraw/zinc/31/04/30/205310430.db2.gz YBYMJPRRISMDPG-UHFFFAOYSA-N -1 0 365.411 3.615 50 0 FHAARM COc1cc(-c2ccno2)ccc1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000064979525 205312425 /nfs/dbraw/zinc/31/24/25/205312425.db2.gz VVZITWGHXNVGMC-UHFFFAOYSA-N -1 0 358.419 3.768 50 0 FHAARM COc1cc(-c2ccno2)ccc1S(=O)(=O)[N-]c1ccc(C)c(F)c1 ZINC000064979582 205313042 /nfs/dbraw/zinc/31/30/42/205313042.db2.gz RKSSXWNAQAOBMH-UHFFFAOYSA-N -1 0 362.382 3.599 50 0 FHAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C)o3)s2)cc1 ZINC000065003747 205313772 /nfs/dbraw/zinc/31/37/72/205313772.db2.gz HFSKIASKMGVNCT-UHFFFAOYSA-N -1 0 350.421 3.521 50 0 FHAARM Cn1ccc2c1cccc2C(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095379549 205743427 /nfs/dbraw/zinc/74/34/27/205743427.db2.gz TURQOJLBUYIMAQ-KRWDZBQOSA-N -1 0 362.429 3.896 50 0 FHAARM CCCn1c(=O)c(C(=O)Nc2ccc(F)c(F)c2)c([O-])c2ccccc21 ZINC000100562546 205945302 /nfs/dbraw/zinc/94/53/02/205945302.db2.gz PGERMDLCCMODGO-UHFFFAOYSA-N -1 0 358.344 3.648 50 0 FHAARM O=C(Nc1ccccc1Cl)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100613728 205946658 /nfs/dbraw/zinc/94/66/58/205946658.db2.gz BEZKMFCSJMFEJQ-UHFFFAOYSA-N -1 0 354.793 3.559 50 0 FHAARM Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000047318207 206079769 /nfs/dbraw/zinc/07/97/69/206079769.db2.gz JHZLKYRJWUOOPC-UHFFFAOYSA-N -1 0 360.218 3.801 50 0 FHAARM COc1ccccc1-c1nc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cs1 ZINC000237349405 206102096 /nfs/dbraw/zinc/10/20/96/206102096.db2.gz QWZKWAVYEYGBNJ-ZDUSSCGKSA-N -1 0 374.462 3.678 50 0 FHAARM Cc1nc(C2CCCC2)sc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000237613398 206106325 /nfs/dbraw/zinc/10/63/25/206106325.db2.gz GQBKTKUBXQXNAC-ZDUSSCGKSA-N -1 0 350.484 3.826 50 0 FHAARM Cc1csc(-c2cccc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)c2)n1 ZINC000237669074 206106775 /nfs/dbraw/zinc/10/67/75/206106775.db2.gz VUJCGEVCGSLUTP-AWEZNQCLSA-N -1 0 358.463 3.836 50 0 FHAARM O=C([O-])CC[C@H]1CCCN(C(=O)CCCc2ncc(-c3ccccc3)o2)C1 ZINC000238007310 206110727 /nfs/dbraw/zinc/11/07/27/206110727.db2.gz OEOHBSIVVLDJJA-MRXNPFEDSA-N -1 0 370.449 3.768 50 0 FHAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cccc(OCc2cccnc2)c1 ZINC000237996175 206112234 /nfs/dbraw/zinc/11/22/34/206112234.db2.gz RPXVXJHREAQOON-GOSISDBHSA-N -1 0 368.433 3.520 50 0 FHAARM O=C(c1ccc2c(c1)[n-]c(=S)n(C1CCCC1)c2=O)N1CCCCCC1 ZINC000002971692 206156792 /nfs/dbraw/zinc/15/67/92/206156792.db2.gz FAWVPFHQJOPOLB-UHFFFAOYSA-N -1 0 371.506 3.817 50 0 FHAARM O=C([O-])CC[C@@H](CNC(=O)c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000003359237 206160973 /nfs/dbraw/zinc/16/09/73/206160973.db2.gz PYVVBJHYOSPZLP-QMMMGPOBSA-N -1 0 358.143 3.767 50 0 FHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000001157003 206145551 /nfs/dbraw/zinc/14/55/51/206145551.db2.gz GQAGBXMYJCGVLR-UHFFFAOYSA-N -1 0 362.234 3.811 50 0 FHAARM O=C([O-])c1ccc2c(c1)NC(=O)[C@H](CSCc1ccccc1Cl)N2 ZINC000005660298 206198917 /nfs/dbraw/zinc/19/89/17/206198917.db2.gz VCAUCCLVKJDYIQ-HNNXBMFYSA-N -1 0 362.838 3.704 50 0 FHAARM CC(C)Sc1n[n-]c2nc3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3 ZINC000101161309 206227198 /nfs/dbraw/zinc/22/71/98/206227198.db2.gz VHANSDWQJXCAJO-UHFFFAOYSA-N -1 0 366.490 3.953 50 0 FHAARM CCCSc1n[n-]c2nc3c(c(=O)n21)C1(CCCC1)Cc1ccccc1-3 ZINC000101139592 206227278 /nfs/dbraw/zinc/22/72/78/206227278.db2.gz KLPJMZIOXXSFPX-UHFFFAOYSA-N -1 0 366.490 3.955 50 0 FHAARM CCOc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(O)c2)cc1Cl ZINC000008132573 206212775 /nfs/dbraw/zinc/21/27/75/206212775.db2.gz YVHXGWOUUXTKAM-UHFFFAOYSA-N -1 0 362.234 3.899 50 0 FHAARM COc1ccc(-c2cc(C(=O)[O-])c3c(n2)onc3-c2ccco2)c(OC)c1 ZINC000008342592 206216393 /nfs/dbraw/zinc/21/63/93/206216393.db2.gz OQAYQALJMZTYSI-UHFFFAOYSA-N -1 0 366.329 3.865 50 0 FHAARM O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)/C=C/c2ccccc2)c1 ZINC000002215281 206229961 /nfs/dbraw/zinc/22/99/61/206229961.db2.gz XINQNLRMXUWRAP-RMKNXTFCSA-N -1 0 360.822 3.565 50 0 FHAARM CCOc1ccc(-c2nnc(SCC(=O)[O-])n2-c2ccccc2)cc1 ZINC000002860595 206230728 /nfs/dbraw/zinc/23/07/28/206230728.db2.gz CIGCZXNMHWXORS-UHFFFAOYSA-N -1 0 355.419 3.510 50 0 FHAARM CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000005927484 206241142 /nfs/dbraw/zinc/24/11/42/206241142.db2.gz 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206295111 /nfs/dbraw/zinc/29/51/11/206295111.db2.gz RKGKLPZBSXMROC-UHFFFAOYSA-N -1 0 360.218 3.801 50 0 FHAARM CCc1nc2sc([C@@H](c3ccccc3Cl)N3CCCC3)c([O-])n2n1 ZINC000022852933 206393341 /nfs/dbraw/zinc/39/33/41/206393341.db2.gz MISOVKCWFAPAHD-CQSZACIVSA-N -1 0 362.886 3.897 50 0 FHAARM C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)[O-])c1)c1cc(Cl)ccc1O2 ZINC000045918763 132952653 /nfs/dbraw/zinc/95/26/53/132952653.db2.gz YPBSTCFHNDPLHJ-RDTXWAMCSA-N -1 0 358.781 3.808 50 0 FHAARM O=C([O-])[C@]1(CCc2ccccc2)CCCN(c2cnc3ccccc3n2)C1 ZINC000071748616 136139944 /nfs/dbraw/zinc/13/99/44/136139944.db2.gz PWOKENGTZDWGGR-QFIPXVFZSA-N -1 0 361.445 3.934 50 0 FHAARM COc1cccc(C[C@@]2(C(=O)[O-])CCCN(c3ccc(Cl)cn3)C2)c1 ZINC000071759417 136140539 /nfs/dbraw/zinc/14/05/39/136140539.db2.gz XLVPWMQRDIAJGR-IBGZPJMESA-N -1 0 360.841 3.658 50 0 FHAARM O=C([O-])C1(CCCc2ccccc2)CCN(c2ncnc3[nH]ccc32)CC1 ZINC000071759071 136140543 /nfs/dbraw/zinc/14/05/43/136140543.db2.gz JFFDNAZKJDUZIE-UHFFFAOYSA-N -1 0 364.449 3.652 50 0 FHAARM O=C([O-])c1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000002220426 263145002 /nfs/dbraw/zinc/14/50/02/263145002.db2.gz UENBDVDCUNGNTB-UHFFFAOYSA-N -1 0 369.229 3.818 50 0 FHAARM O=S(=O)([N-]c1cccc(-c2ccno2)c1)c1ccc(-c2cc[nH]n2)s1 ZINC000085664866 527251796 /nfs/dbraw/zinc/25/17/96/527251796.db2.gz PWJCSHIZAIXHGI-UHFFFAOYSA-N -1 0 372.431 3.594 50 0 FHAARM O=C([O-])CCCCCNC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000020724272 527579790 /nfs/dbraw/zinc/57/97/90/527579790.db2.gz GHDIAOSFEXHBTH-UHFFFAOYSA-N -1 0 366.870 3.767 50 0 FHAARM CC(C)n1ncc2c1nc(/C=C/c1cccc3c1OCCO3)cc2C(=O)[O-] ZINC000328593176 528657614 /nfs/dbraw/zinc/65/76/14/528657614.db2.gz QDLHRWQVZIQMIT-VOTSOKGWSA-N -1 0 365.389 3.652 50 0 FHAARM O=S(=O)([N-]c1nnc(-c2ccccc2)s1)c1ccc(Cl)cc1 ZINC000000674508 568075432 /nfs/dbraw/zinc/07/54/32/568075432.db2.gz SWLAKVCPDFLJCT-UHFFFAOYSA-N -1 0 351.840 3.659 50 0 FHAARM Cc1nc2sc3c(c2c(N[C@@H](Cc2ccccc2)C(=O)[O-])n1)CCCC3 ZINC000000784791 568224504 /nfs/dbraw/zinc/22/45/04/568224504.db2.gz 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ZINC000095506780 570464369 /nfs/dbraw/zinc/46/43/69/570464369.db2.gz XTJWHEYZMABWNX-INIZCTEOSA-N -1 0 372.471 3.693 50 0 FHAARM O=C([O-])[C@H]1CS[C@H](c2ccccc2Cl)N1C(=O)c1ccccc1F ZINC000000974395 570467043 /nfs/dbraw/zinc/46/70/43/570467043.db2.gz IHTFQSGSXXUYSH-GDBMZVCRSA-N -1 0 365.813 3.820 50 0 FHAARM CN(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1nc(-c2ccc(Cl)s2)cs1 ZINC000001028525 570472465 /nfs/dbraw/zinc/47/24/65/570472465.db2.gz TXVSFPFERYOHLE-HTQZYQBOSA-N -1 0 356.856 3.599 50 0 FHAARM O=C([O-])c1ccccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000001208496 570492858 /nfs/dbraw/zinc/49/28/58/570492858.db2.gz DLRCKOVAXSMTFD-UHFFFAOYSA-N -1 0 366.398 3.951 50 0 FHAARM O=c1c([C@@H](O)c2ccc(Cl)cc2)c(C(F)(F)F)[n-]n1-c1ccccc1 ZINC000100355069 570503142 /nfs/dbraw/zinc/50/31/42/570503142.db2.gz CDTSINXPPVQPJV-KBPBESRZSA-N -1 0 368.742 3.955 50 0 FHAARM CC(C)Cn1c(=O)c(C(=O)Nc2cccc(F)c2)c([O-])c2ccccc21 ZINC000100472403 570504542 /nfs/dbraw/zinc/50/45/42/570504542.db2.gz CEHVHLQTSABNGJ-UHFFFAOYSA-N -1 0 354.381 3.755 50 0 FHAARM CC1(C)CC(=O)C(Sc2ccc(I)cc2)=C([O-])C1 ZINC000100660325 570506520 /nfs/dbraw/zinc/50/65/20/570506520.db2.gz FVROZXBXIRABLU-UHFFFAOYSA-N -1 0 374.243 3.710 50 0 FHAARM O=C(Nc1ccc(Cl)cc1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100662838 570506524 /nfs/dbraw/zinc/50/65/24/570506524.db2.gz HOGGAJHNNMEEHN-UHFFFAOYSA-N -1 0 354.793 3.559 50 0 FHAARM CC(C)(O)c1cc2c(cc3occ(-c4ccc(O)cc4)c(=O)c3c2[O-])o1 ZINC000085996821 570512587 /nfs/dbraw/zinc/51/25/87/570512587.db2.gz FJWVISOPPWPZGU-UHFFFAOYSA-N -1 0 352.342 3.845 50 0 FHAARM C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)[O-] ZINC000006202592 570643124 /nfs/dbraw/zinc/64/31/24/570643124.db2.gz IRQUJNVGEAJGSD-WDHPPJNLSA-N -1 0 374.477 3.905 50 0 FHAARM Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000013259939 570775412 /nfs/dbraw/zinc/77/54/12/570775412.db2.gz MEJOQLZYPQIMKK-INIZCTEOSA-N -1 0 366.442 3.544 50 0 FHAARM O=C([O-])Cc1csc(NC(=O)C2c3ccccc3Oc3ccccc32)n1 ZINC000013944145 570798407 /nfs/dbraw/zinc/79/84/07/570798407.db2.gz ZTWMMZLMKYFUEW-UHFFFAOYSA-N -1 0 366.398 3.647 50 0 FHAARM Cc1ccccc1NC(=S)C1=C([O-])c2sccc2N(C)S1(=O)=O ZINC000100911021 570800334 /nfs/dbraw/zinc/80/03/34/570800334.db2.gz NGVXGDBREUOUDB-UHFFFAOYSA-N -1 0 366.489 3.502 50 0 FHAARM COc1ccc(C([O-])=CC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000101354914 570818934 /nfs/dbraw/zinc/81/89/34/570818934.db2.gz IPJUMZLIKPRVLZ-UHFFFAOYSA-N -1 0 366.200 3.783 50 0 FHAARM O=C([O-])c1ccccc1C(=O)Nc1cccc(C(=O)N2CCCCCC2)c1 ZINC000014555516 570819685 /nfs/dbraw/zinc/81/96/85/570819685.db2.gz LZZNRMARJROGFR-UHFFFAOYSA-N -1 0 366.417 3.653 50 0 FHAARM CCn1c(=O)c(-c2nc(-c3ccc(F)cc3)no2)c([O-])c2ccccc21 ZINC000101725466 570822933 /nfs/dbraw/zinc/82/29/33/570822933.db2.gz UJNFXLUAHCHQOD-UHFFFAOYSA-N -1 0 351.337 3.583 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)s1 ZINC000024432600 570829740 /nfs/dbraw/zinc/82/97/40/570829740.db2.gz PRGYSPWWHDZRHO-UHFFFAOYSA-N -1 0 352.481 3.842 50 0 FHAARM CCn1c(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2[n-]c1=S ZINC000102751987 570838282 /nfs/dbraw/zinc/83/82/82/570838282.db2.gz VWZWYLOWAQUXQL-UHFFFAOYSA-N -1 0 359.838 3.611 50 0 FHAARM CC(C)(C)CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000023194881 570959162 /nfs/dbraw/zinc/95/91/62/570959162.db2.gz XVKHGZZNIRYEEP-UHFFFAOYSA-N -1 0 352.481 3.924 50 0 FHAARM O=S(=O)([N-]C(=S)Nc1ccccc1)c1cc(Cl)sc1Cl ZINC000005331822 571073340 /nfs/dbraw/zinc/07/33/40/571073340.db2.gz KWPVZWWKPDSMRB-UHFFFAOYSA-N -1 0 367.304 3.730 50 0 FHAARM COc1ccc2cc([C@H](C)C(=O)[O-])ccc2c1I ZINC000138503787 571079098 /nfs/dbraw/zinc/07/90/98/571079098.db2.gz MNTGUQDQTXNYMT-QMMMGPOBSA-N -1 0 356.159 3.641 50 0 FHAARM CCn1c(=O)c(C(=O)Nc2cccc(Cl)c2C)c([O-])c2ccccc21 ZINC000012414635 571096000 /nfs/dbraw/zinc/09/60/00/571096000.db2.gz YQAKAYRQXUVSEZ-UHFFFAOYSA-N -1 0 356.809 3.941 50 0 FHAARM C[C@@H](C(=O)[O-])[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000237738202 571106203 /nfs/dbraw/zinc/10/62/03/571106203.db2.gz ZSJXOYCOKCWVEK-VLIAUNLRSA-N -1 0 350.418 3.679 50 0 FHAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)Nc2cc(F)ccc2C)cc1 ZINC000237563810 571106316 /nfs/dbraw/zinc/10/63/16/571106316.db2.gz MHMKKVSGTDCVOX-UHFFFAOYSA-N -1 0 353.353 3.579 50 0 FHAARM CCN(C(=O)c1c([O-])c2c(Cl)cccc2n(C)c1=O)c1ccccc1 ZINC000100004621 571122146 /nfs/dbraw/zinc/12/21/46/571122146.db2.gz GKWPCEFFIHSJOE-UHFFFAOYSA-N -1 0 356.809 3.564 50 0 investigational FHAARM CC(C)n1nc(CNCc2ccc(C(=O)[O-])cc2)c(-c2ccccc2)n1 ZINC000248028598 571127444 /nfs/dbraw/zinc/12/74/44/571127444.db2.gz WVEFSLCCGONSNE-UHFFFAOYSA-N -1 0 350.422 3.514 50 0 FHAARM Cc1cccc(C)c1NC(=O)COc1cc(C(=O)[O-])nc2ccccc21 ZINC000015829528 571130303 /nfs/dbraw/zinc/13/03/03/571130303.db2.gz RAPOPOHTHKNCGK-UHFFFAOYSA-N -1 0 350.374 3.567 50 0 FHAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2noc(C)n2)ccc1C ZINC000033086417 571154924 /nfs/dbraw/zinc/15/49/24/571154924.db2.gz VXNSGDWHWITMMA-UHFFFAOYSA-N -1 0 373.434 3.553 50 0 FHAARM CSc1cccc([N-]S(=O)(=O)c2ccc(-c3cc[nH]n3)s2)c1 ZINC000075351849 571162001 /nfs/dbraw/zinc/16/20/01/571162001.db2.gz RIBROAWHZWNZNY-UHFFFAOYSA-N -1 0 351.478 3.661 50 0 FHAARM O=C([O-])[C@@]1(Cc2ccccc2)CCCN(c2noc(-c3ccccc3)n2)C1 ZINC000071764008 571165714 /nfs/dbraw/zinc/16/57/14/571165714.db2.gz WJJABDYRINLBPJ-OAQYLSRUSA-N -1 0 363.417 3.651 50 0 FHAARM O=C([O-])[C@H](Cc1ccco1)n1ccnc1-c1ccc2cccc(F)c2n1 ZINC000071776802 571166859 /nfs/dbraw/zinc/16/68/59/571166859.db2.gz AQOCPCJBHKSRCW-INIZCTEOSA-N -1 0 351.337 3.699 50 0 FHAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000237046726 571167363 /nfs/dbraw/zinc/16/73/63/571167363.db2.gz WVGCWWSXWHIMBC-OALUTQOASA-N -1 0 353.418 3.511 50 0 FHAARM CC(=O)N1[C@@H](c2c(C)[n-]n(-c3ccccc3)c2=O)CCN1c1ccccc1 ZINC000137111264 571168055 /nfs/dbraw/zinc/16/80/55/571168055.db2.gz PRENDEQIURVRBL-LJQANCHMSA-N -1 0 362.433 3.601 50 0 FHAARM COc1ccc(-c2c(=O)c3c(O)cc([O-])cc3oc2C(F)(F)F)cc1 ZINC000006006924 571170517 /nfs/dbraw/zinc/17/05/17/571170517.db2.gz LBGLVUDKHNDQAJ-UHFFFAOYSA-N -1 0 352.264 3.899 50 0 biogenic FHAARM O=C([O-])C[C@@H]1COCCN1Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000072154020 571174709 /nfs/dbraw/zinc/17/47/09/571174709.db2.gz QJKHNVFRLRLBBH-LLVKDONJSA-N -1 0 370.232 3.929 50 0 FHAARM Cc1cc(SC[C@@H](NC(=O)c2ccccc2)C(=O)[O-])c2ccccc2n1 ZINC000012528166 571174862 /nfs/dbraw/zinc/17/48/62/571174862.db2.gz VNFZQLBRGJZAMR-QGZVFWFLSA-N -1 0 366.442 3.519 50 0 FHAARM CCCN(C(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1)C1CC1 ZINC000191660724 571191323 /nfs/dbraw/zinc/19/13/23/571191323.db2.gz RXZUAKDKTZPROV-UHFFFAOYSA-N -1 0 369.465 3.521 50 0 FHAARM COc1cc(C(C)=NNc2ccc(C(=O)[O-])cc2)ccc1OC(F)F ZINC000252474935 571202196 /nfs/dbraw/zinc/20/21/96/571202196.db2.gz OYWJXOMOJQDWAF-UHFFFAOYSA-N -1 0 350.321 3.831 50 0 FHAARM CC(=O)Nc1cccc(NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)c1C ZINC000169975511 571259813 /nfs/dbraw/zinc/25/98/13/571259813.db2.gz ORIYIXBYGAGDKM-FQEVSTJZSA-N -1 0 360.454 3.953 50 0 FHAARM C[C@H](CCc1ccccc1)CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(F)c1 ZINC000170592166 571266180 /nfs/dbraw/zinc/26/61/80/571266180.db2.gz MRRVDADRDCLPDF-BFUOFWGJSA-N -1 0 361.388 3.866 50 0 FHAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000013320371 571270596 /nfs/dbraw/zinc/27/05/96/571270596.db2.gz LVTNBUDAGKFJFO-NTFDOXNWSA-N -1 0 355.478 3.605 50 0 FHAARM Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000014254388 571271816 /nfs/dbraw/zinc/27/18/16/571271816.db2.gz ZJLYHRFMJMIWBO-UHFFFAOYSA-N -1 0 361.854 3.943 50 0 FHAARM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000086255949 571274927 /nfs/dbraw/zinc/27/49/27/571274927.db2.gz KVCDRFYMLTZBJM-UONOGXRCSA-N -1 0 351.402 3.731 50 0 FHAARM O=C([O-])CC[C@H]1CCCN(C(=O)CCc2ccccc2OC(F)(F)F)C1 ZINC000238001814 571277334 /nfs/dbraw/zinc/27/73/34/571277334.db2.gz LKDFUFXHIXKJAB-CYBMUJFWSA-N -1 0 373.371 3.621 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Oc2ccc(Cl)cc2Cl)cc1 ZINC000000641440 571279406 /nfs/dbraw/zinc/27/94/06/571279406.db2.gz YYQJNTXKWJFISS-UHFFFAOYSA-N -1 0 360.218 3.779 50 0 FHAARM O=S(=O)([N-]c1nc2ccccc2s1)c1ccccc1Br ZINC000037385847 571283931 /nfs/dbraw/zinc/28/39/31/571283931.db2.gz DWKZEAXOUQWYMB-UHFFFAOYSA-N -1 0 369.265 3.860 50 0 FHAARM CCC[C@H]1C=CCN1C(=O)c1ccc(-c2nc(C)[n-]c(=O)c2Cl)cc1 ZINC000584899787 571316012 /nfs/dbraw/zinc/31/60/12/571316012.db2.gz MFPGRJNKKNDMNS-HNNXBMFYSA-N -1 0 357.841 3.579 50 0 FHAARM Cc1noc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cn3)c2)c1C ZINC000020580432 571331308 /nfs/dbraw/zinc/33/13/08/571331308.db2.gz ILVDCWZFOIFDRN-UHFFFAOYSA-N -1 0 357.435 3.771 50 0 FHAARM O=S(=O)([N-]c1nnc(-c2ccccc2)o1)c1cccc(Cl)c1Cl ZINC000095944003 571332459 /nfs/dbraw/zinc/33/24/59/571332459.db2.gz OMGTUPDCACSDCX-UHFFFAOYSA-N -1 0 370.217 3.844 50 0 FHAARM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc3oc(CC)nc3c2)n[nH]1 ZINC000096007270 571333888 /nfs/dbraw/zinc/33/38/88/571333888.db2.gz BOZQFXJMPYPINE-NSHDSACASA-N -1 0 362.455 3.818 50 0 FHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1-c1nc(C2CC2)no1 ZINC000096379868 571335517 /nfs/dbraw/zinc/33/55/17/571335517.db2.gz ZUGUYDUNJGGFEJ-UHFFFAOYSA-N -1 0 372.450 3.668 50 0 FHAARM CCc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)no1 ZINC000021702006 571335592 /nfs/dbraw/zinc/33/55/92/571335592.db2.gz ILOYXHNBDBDJRZ-UHFFFAOYSA-N -1 0 369.855 3.815 50 0 FHAARM O=C(CCCCn1c(=O)c2sccc2[n-]c1=S)NCc1ccccc1 ZINC000002925459 571341840 /nfs/dbraw/zinc/34/18/40/571341840.db2.gz JYVXOQRQZUFHPO-UHFFFAOYSA-N -1 0 373.503 3.607 50 0 FHAARM CCCC[C@H](CC)CNC(=O)CCn1c(=O)c2sccc2[n-]c1=S ZINC000002932414 571341915 /nfs/dbraw/zinc/34/19/15/571341915.db2.gz HDNGYTWUOTXGCY-LBPRGKRZSA-N -1 0 367.540 3.843 50 0 FHAARM CCCn1c(=O)c2ccc(C(=O)N3CCCC[C@@H]3CC)cc2[n-]c1=S ZINC000003043473 571343966 /nfs/dbraw/zinc/34/39/66/571343966.db2.gz UOLQOBOYKHKMTD-AWEZNQCLSA-N -1 0 359.495 3.874 50 0 FHAARM CC(=O)Nc1cc(C(=O)CSc2ccc(C(F)(F)F)cn2)ccc1[O-] ZINC000031743367 571353500 /nfs/dbraw/zinc/35/35/00/571353500.db2.gz NTQPGJGTLPJTOW-UHFFFAOYSA-N -1 0 370.352 3.739 50 0 FHAARM COc1ccccc1/C=C(\C(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000606441976 597018736 /nfs/dbraw/zinc/01/87/36/597018736.db2.gz UFKXDSANSSAMLA-CYVLTUHYSA-N -1 0 365.429 3.559 50 0 FHAARM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)/C=C/c1ccccc1 ZINC000079066333 935392792 /nfs/dbraw/zinc/39/27/92/935392792.db2.gz GXZNJIXZTOPBRJ-MDZDMXLPSA-N -1 0 351.811 3.759 50 0 FHAARM O=C([O-])c1ccc2nc(/C=C/c3ccnn3C3CCOCC3)sc2c1 ZINC000888100531 948440783 /nfs/dbraw/zinc/44/07/83/948440783.db2.gz DOUKPWYYAAGRJQ-DUXPYHPUSA-N -1 0 355.419 3.713 50 0 FHAARM Cc1cc(O[C@H](C)C(=O)[O-])c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000001178014 219385522 /nfs/dbraw/zinc/38/55/22/219385522.db2.gz ZOUCUTUYRHWVDD-CQSZACIVSA-N -1 0 352.386 3.853 50 0 FHAARM CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CCCC(=O)[O-] ZINC000000976786 203968522 /nfs/dbraw/zinc/96/85/22/203968522.db2.gz QKNHDCQPVUCGMO-UHFFFAOYSA-N -1 0 367.448 3.847 50 0 FHAARM O=C([O-])c1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000001199604 203992491 /nfs/dbraw/zinc/99/24/91/203992491.db2.gz XFYNEUHZLXLDDI-UHFFFAOYSA-N -1 0 366.398 3.951 50 0 FHAARM CCOC(=O)c1cnc(SC)nc1[N-]c1cc(-c2ccccc2)no1 ZINC000001414958 204006047 /nfs/dbraw/zinc/00/60/47/204006047.db2.gz JXCNWJMDIXDVMZ-UHFFFAOYSA-N -1 0 356.407 3.774 50 0 FHAARM CSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000001576228 204011722 /nfs/dbraw/zinc/01/17/22/204011722.db2.gz BUBGAUHBELNDEW-GOSISDBHSA-N -1 0 371.458 3.731 50 0 FHAARM O=S(=O)([N-]c1ccccn1)c1ccc(Br)c2ccccc21 ZINC000001518024 204012302 /nfs/dbraw/zinc/01/23/02/204012302.db2.gz SMJSAJYTELOADB-UHFFFAOYSA-N -1 0 363.236 3.798 50 0 FHAARM CC(C)CC[C@@H](C(=O)[O-])[C@H](C)CC(=O)Nc1ccn(-c2ccccc2)n1 ZINC000002062088 204024541 /nfs/dbraw/zinc/02/45/41/204024541.db2.gz VHLWRSHMNSBDCC-NVXWUHKLSA-N -1 0 357.454 3.974 50 0 FHAARM O=C([O-])c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 ZINC000002292191 204033219 /nfs/dbraw/zinc/03/32/19/204033219.db2.gz FKZMKYLPJCPWDZ-UHFFFAOYSA-N -1 0 360.369 3.889 50 0 FHAARM CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002384761 204036481 /nfs/dbraw/zinc/03/64/81/204036481.db2.gz BUBGAUHBELNDEW-SFHVURJKSA-N -1 0 371.458 3.731 50 0 FHAARM O=C([O-])c1ccc(NC(=O)c2ccccc2NC(=O)c2cccs2)cc1 ZINC000002939572 204068478 /nfs/dbraw/zinc/06/84/78/204068478.db2.gz MLCZXLSFXJPAKF-UHFFFAOYSA-N -1 0 366.398 3.951 50 0 FHAARM COc1ccccc1[N-]C(NC(=O)C(C)C)(C(F)(F)F)C(F)(F)F ZINC000003024812 204074727 /nfs/dbraw/zinc/07/47/27/204074727.db2.gz ZSWKRAGNCTXHIM-UHFFFAOYSA-N -1 0 358.282 3.700 50 0 FHAARM O=C([O-])c1ccccc1N(Cc1ccccc1)C(=O)COc1ccccc1 ZINC000003170778 204081397 /nfs/dbraw/zinc/08/13/97/204081397.db2.gz YUAWOGKUMHJEPY-UHFFFAOYSA-N -1 0 361.397 3.997 50 0 FHAARM CCOc1ccc(S(=O)(=O)[N-]c2nc3ccc(OC)cc3s2)cc1 ZINC000002754963 204054766 /nfs/dbraw/zinc/05/47/66/204054766.db2.gz PVYOESBBNQERMG-UHFFFAOYSA-N -1 0 364.448 3.504 50 0 FHAARM Cc1ccccc1Cn1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000002767523 204056102 /nfs/dbraw/zinc/05/61/02/204056102.db2.gz CCTPSYUDMGNRBM-UHFFFAOYSA-N -1 0 361.854 3.694 50 0 FHAARM Cc1nn(Cc2ccccc2C)c(C)c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000002767213 204056331 /nfs/dbraw/zinc/05/63/31/204056331.db2.gz WPWASAYWUQIECF-UHFFFAOYSA-N -1 0 369.490 3.966 50 0 FHAARM O=C([O-])c1cc2nc(-c3cccc(OC(F)F)c3)cc(C(F)(F)F)n2n1 ZINC000002796815 204057850 /nfs/dbraw/zinc/05/78/50/204057850.db2.gz LABPPMOLYNWAQQ-UHFFFAOYSA-N -1 0 373.237 3.715 50 0 FHAARM Cc1cccc(Cn2cc([N-]S(=O)(=O)c3cc(C)ccc3C)cn2)c1 ZINC000002791661 204057854 /nfs/dbraw/zinc/05/78/54/204057854.db2.gz SOXQSXNOIULTMK-UHFFFAOYSA-N -1 0 355.463 3.657 50 0 FHAARM CC1=C(C)C[C@@H](C(=O)Nc2ccccc2Br)[C@H](C(=O)[O-])C1 ZINC000002797311 204058666 /nfs/dbraw/zinc/05/86/66/204058666.db2.gz GHBCAJPWQIFSMU-VXGBXAGGSA-N -1 0 352.228 3.835 50 0 FHAARM Cc1sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])nc1-c1ccccc1 ZINC000003900031 204114779 /nfs/dbraw/zinc/11/47/79/204114779.db2.gz HJTPEEIPSKHVBJ-QPSCCSFWSA-N -1 0 354.431 3.580 50 0 FHAARM O=C([O-])c1cnn(-c2nc(-c3ccc(F)cc3)cs2)c1C(F)(F)F ZINC000004014456 204117730 /nfs/dbraw/zinc/11/77/30/204117730.db2.gz IJDRESLUHHJMKT-UHFFFAOYSA-N -1 0 357.288 3.852 50 0 FHAARM COc1ccc(COc2ccc3c(C)c(CCC(=O)[O-])c(=O)oc3c2)cc1 ZINC000004043717 204119223 /nfs/dbraw/zinc/11/92/23/204119223.db2.gz MDKUIGQGRBSJLW-UHFFFAOYSA-N -1 0 368.385 3.706 50 0 biogenic FHAARM CC(C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)CCC(=O)[O-] ZINC000004179806 204125591 /nfs/dbraw/zinc/12/55/91/204125591.db2.gz YDIZSZZAHXRLQM-UHFFFAOYSA-N -1 0 361.419 3.784 50 0 FHAARM CCOc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1ccccc1C ZINC000004577215 204147841 /nfs/dbraw/zinc/14/78/41/204147841.db2.gz JTUAJTCMBOYKFB-QFBILLFUSA-N -1 0 373.474 3.761 50 0 FHAARM COc1cccc(C(=O)NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000004575150 204148549 /nfs/dbraw/zinc/14/85/49/204148549.db2.gz RLKAPIITTLLMJA-UHFFFAOYSA-N -1 0 371.245 3.834 50 0 FHAARM CCc1cccc(CC)c1NC(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000004593119 204149893 /nfs/dbraw/zinc/14/98/93/204149893.db2.gz VHEMMKKHNAFGQT-UHFFFAOYSA-N -1 0 368.433 3.867 50 0 FHAARM Cc1ccc(C[C@@H](CC(=O)[O-])C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004698259 204155326 /nfs/dbraw/zinc/15/53/26/204155326.db2.gz SUGKBEXQCFDKDX-QSVDNLTKSA-N -1 0 369.505 3.961 50 0 FHAARM O=C([O-])c1cccc(NC(=O)c2ccccc2NC(=O)c2cccs2)c1 ZINC000004695638 204155394 /nfs/dbraw/zinc/15/53/94/204155394.db2.gz NWKGMKOZHLNBCK-UHFFFAOYSA-N -1 0 366.398 3.951 50 0 FHAARM Cc1ccc(-c2nnc(NCCc3c[nH]c4ccc(C)cc34)[n-]c2=O)cc1 ZINC000004818466 204166318 /nfs/dbraw/zinc/16/63/18/204166318.db2.gz YRYXAERGSKKAET-UHFFFAOYSA-N -1 0 359.433 3.585 50 0 FHAARM CC(C)(C)OC(=O)N1C[C@H](Cc2ccccc2C(F)(F)F)C[C@H]1C(=O)[O-] ZINC000004241448 204129017 /nfs/dbraw/zinc/12/90/17/204129017.db2.gz LXKNKSPHSOFZBM-RISCZKNCSA-N -1 0 373.371 3.958 50 0 FHAARM O=C([O-])C[C@H](CC(=O)NCc1ccco1)c1ccc(C(F)(F)F)cc1 ZINC000004371623 204135216 /nfs/dbraw/zinc/13/52/16/204135216.db2.gz ABHSOIKWKFEVLM-LBPRGKRZSA-N -1 0 355.312 3.563 50 0 FHAARM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1ccc(F)c(F)c1F ZINC000005602696 204217012 /nfs/dbraw/zinc/21/70/12/204217012.db2.gz MDQGIOODYPOUTG-UHFFFAOYSA-N -1 0 371.258 3.803 50 0 FHAARM CCC(C)(C)c1ccc(OCC(=O)Nc2ccc(O)cc2C(=O)[O-])cc1 ZINC000005044851 204187054 /nfs/dbraw/zinc/18/70/54/204187054.db2.gz WYKVEWZHLJAQQP-UHFFFAOYSA-N -1 0 357.406 3.796 50 0 FHAARM O=C([O-])C[C@@H](c1ccccc1Br)N1Cc2ccccc2C1=O ZINC000005776506 204224188 /nfs/dbraw/zinc/22/41/88/204224188.db2.gz KYCIYNSKVXPZGC-HNNXBMFYSA-N -1 0 360.207 3.621 50 0 FHAARM CCc1cc2c(ncnc2SCc2nc(=O)c3sccc3[n-]2)s1 ZINC000006618055 204256810 /nfs/dbraw/zinc/25/68/10/204256810.db2.gz VEYZTMCLIMKSPJ-UHFFFAOYSA-N -1 0 360.489 3.844 50 0 FHAARM COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])c(OC)c1 ZINC000006936383 204282620 /nfs/dbraw/zinc/28/26/20/204282620.db2.gz NNNLQXXHCFPNHQ-UHFFFAOYSA-N -1 0 369.295 3.673 50 0 FHAARM O=C(Nc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000007050829 204287267 /nfs/dbraw/zinc/28/72/67/204287267.db2.gz KIOMQHBLHFOSLO-UHFFFAOYSA-N -1 0 358.444 3.801 50 0 FHAARM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000007054182 204287753 /nfs/dbraw/zinc/28/77/53/204287753.db2.gz SGVRMAZTBOIFSS-AWEZNQCLSA-N -1 0 372.490 3.504 50 0 FHAARM COc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000007057278 204288025 /nfs/dbraw/zinc/28/80/25/204288025.db2.gz QXWWSHQMIPCYIJ-UHFFFAOYSA-N -1 0 361.341 3.523 50 0 FHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Br)cc1C ZINC000007421713 204297709 /nfs/dbraw/zinc/29/77/09/204297709.db2.gz FAEPCNWOZCWNJQ-UHFFFAOYSA-N -1 0 370.268 3.875 50 0 FHAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000006861861 204277197 /nfs/dbraw/zinc/27/71/97/204277197.db2.gz BRNUHOSGBYYTJJ-UWVGGRQHSA-N -1 0 360.635 3.932 50 0 FHAARM COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2C)c(OC)cc1Cl ZINC000008132572 204318614 /nfs/dbraw/zinc/31/86/14/204318614.db2.gz MKFRDGLHRBKWDO-UHFFFAOYSA-N -1 0 355.843 3.775 50 0 FHAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(C)cc1OC ZINC000008132613 204318968 /nfs/dbraw/zinc/31/89/68/204318968.db2.gz RKAYIWMSGAQCMJ-UHFFFAOYSA-N -1 0 355.843 3.857 50 0 FHAARM Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Nc1ccccc1C(=O)[O-] ZINC000009002238 204352002 /nfs/dbraw/zinc/35/20/02/204352002.db2.gz OQQOVJQWMCDDLR-UHFFFAOYSA-N -1 0 360.218 3.801 50 0 FHAARM CCc1ccc(OCCSc2nnc(-c3ccccc3)c(=O)[n-]2)cc1 ZINC000009052751 204352686 /nfs/dbraw/zinc/35/26/86/204352686.db2.gz WDDGCITWBGSFJZ-UHFFFAOYSA-N -1 0 353.447 3.978 50 0 FHAARM Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)[N-]c3ccc(C)cn3)c2)on1 ZINC000009228263 204359656 /nfs/dbraw/zinc/35/96/56/204359656.db2.gz HZFKQRBPKAZBKQ-UHFFFAOYSA-N -1 0 371.462 3.700 50 0 FHAARM Cc1n[nH]c(SC(=Cc2ccccc2OCc2ccccc2)C(=O)[O-])n1 ZINC000009356885 204364323 /nfs/dbraw/zinc/36/43/23/204364323.db2.gz DOAFYOMCGBIBHZ-GZTJUZNOSA-N -1 0 367.430 3.910 50 0 FHAARM Cc1cc(Br)ccc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000008746171 204344027 /nfs/dbraw/zinc/34/40/27/204344027.db2.gz DTARPVZYQBLZGF-CQSZACIVSA-N -1 0 362.223 3.955 50 0 FHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cnc(C)o2)cc1 ZINC000009807682 204383461 /nfs/dbraw/zinc/38/34/61/204383461.db2.gz KRDSOEIRKGAZMV-UHFFFAOYSA-N -1 0 358.419 3.850 50 0 FHAARM CCn1c(=O)c(C(=O)Nc2cc(Cl)ccc2C)c([O-])c2ccccc21 ZINC000012414639 204459799 /nfs/dbraw/zinc/45/97/99/204459799.db2.gz UVTSJUJMTKKIPZ-UHFFFAOYSA-N -1 0 356.809 3.941 50 0 FHAARM CCc1cc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)ccc1Cl ZINC000014632523 204584798 /nfs/dbraw/zinc/58/47/98/204584798.db2.gz BSKITYYFATYHNV-ZFWWWQNUSA-N -1 0 369.845 3.744 50 0 FHAARM C[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000038528921 205042174 /nfs/dbraw/zinc/04/21/74/205042174.db2.gz WFCIGOQMPVAAGQ-KPZWWZAWSA-N -1 0 369.442 3.784 50 0 FHAARM COc1cccc2ccn(CCC(=O)NCC3(CC(=O)[O-])CCCCC3)c21 ZINC000040309714 205067163 /nfs/dbraw/zinc/06/71/63/205067163.db2.gz VGMVLEIXLBOHNH-UHFFFAOYSA-N -1 0 372.465 3.581 50 0 FHAARM O=C([O-])c1cc(N2CCCCCC2)ccc1NC(=O)COc1ccccc1 ZINC000045967594 205127601 /nfs/dbraw/zinc/12/76/01/205127601.db2.gz FWMVULMSZZLDFT-UHFFFAOYSA-N -1 0 368.433 3.783 50 0 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ZINC000071761543 136140440 /nfs/dbraw/zinc/14/04/40/136140440.db2.gz IAEAYHXJNOSDSH-LJQANCHMSA-N -1 0 371.437 3.744 50 0 FHAARM O=C([O-])[C@H]1CCN(C(=O)c2cc3sc(Nc4ccccc4)nc3s2)C1 ZINC000178269527 526327311 /nfs/dbraw/zinc/32/73/11/526327311.db2.gz BUICJZZFYLQXJD-JTQLQIEISA-N -1 0 373.459 3.648 50 0 FHAARM O=C([O-])C1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1 ZINC000268924716 527562105 /nfs/dbraw/zinc/56/21/05/527562105.db2.gz DKKPZPOUHDQSQB-XYJRBWASSA-N -1 0 356.249 3.857 50 0 FHAARM COc1cccc(-c2nc3ccccc3c(N3C[C@@H](C)O[C@H](C)C3)n2)c1[O-] ZINC000002235904 537070015 /nfs/dbraw/zinc/07/00/15/537070015.db2.gz QIRDYARJEYCALQ-ZIAGYGMSSA-N -1 0 365.433 3.625 50 0 FHAARM CC(C)=CCC1=C([O-])C=C2OC(c3ccc(O)cc3)C(=O)C(O)=C2C1=O ZINC000014762755 560097109 /nfs/dbraw/zinc/09/71/09/560097109.db2.gz TVMHBSODLWMMMV-UHFFFAOYSA-N -1 0 354.358 3.791 50 0 endogenous,in-man FHAARM Cc1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cc1F ZINC000095067978 570451240 /nfs/dbraw/zinc/45/12/40/570451240.db2.gz ZAJFKYSFTGAVCI-UHFFFAOYSA-N -1 0 362.195 3.837 50 0 FHAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000095355726 570452596 /nfs/dbraw/zinc/45/25/96/570452596.db2.gz SXAJDZZLDREQRO-QGZVFWFLSA-N -1 0 356.397 3.613 50 0 FHAARM Cn1ccc2c1cccc2C(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095379550 570458308 /nfs/dbraw/zinc/45/83/08/570458308.db2.gz TURQOJLBUYIMAQ-QGZVFWFLSA-N -1 0 362.429 3.896 50 0 FHAARM Cc1ccc2nc(C)c(C)c(C(=O)N[C@H](CC(=O)[O-])c3ccco3)c2c1 ZINC000095508853 570465019 /nfs/dbraw/zinc/46/50/19/570465019.db2.gz VTCWQPQQDSUJPY-MRXNPFEDSA-N -1 0 352.390 3.699 50 0 FHAARM CSCC[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000095509148 570465139 /nfs/dbraw/zinc/46/51/39/570465139.db2.gz BRQWUYPSNKHBFH-LBPRGKRZSA-N -1 0 353.827 3.536 50 0 FHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000000982953 570467865 /nfs/dbraw/zinc/46/78/65/570467865.db2.gz KASKXFFQWOPAIT-UHFFFAOYSA-N -1 0 362.270 3.710 50 0 FHAARM O=S(=O)([N-]c1ccc(F)cc1C(F)(F)F)c1ccc(F)c(F)c1 ZINC000095535197 570470439 /nfs/dbraw/zinc/47/04/39/570470439.db2.gz DGFYLMMSXLMAPD-UHFFFAOYSA-N -1 0 355.259 3.924 50 0 FHAARM O=C([O-])c1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1Cl ZINC000001159224 570485722 /nfs/dbraw/zinc/48/57/22/570485722.db2.gz KLSKSGLHCDAFTE-UHFFFAOYSA-N -1 0 374.805 3.911 50 0 FHAARM O=S(=O)([N-]c1cccc2cccnc21)c1ccc(Br)cc1 ZINC000001227811 570495259 /nfs/dbraw/zinc/49/52/59/570495259.db2.gz FQIIAMSIGINTCM-UHFFFAOYSA-N -1 0 363.236 3.798 50 0 FHAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C)cn2)c1=O ZINC000100504433 570504689 /nfs/dbraw/zinc/50/46/89/570504689.db2.gz LAPPBHSKRFTXFH-UHFFFAOYSA-N -1 0 365.433 3.853 50 0 FHAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2cccc(OC)c2)c1=O ZINC000100512636 570505078 /nfs/dbraw/zinc/50/50/78/570505078.db2.gz UYIGKCWZDZWXSJ-UHFFFAOYSA-N -1 0 366.417 3.768 50 0 FHAARM CC[C@H](C)Cn1c(C)c2c(cc1=O)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000100161790 570526377 /nfs/dbraw/zinc/52/63/77/570526377.db2.gz GAEWOOZKUROAPV-NSHDSACASA-N -1 0 368.462 3.809 50 0 FHAARM CCCCn1c2ccccc2c([O-])c(C(=O)NCc2ccc(C)cc2)c1=O ZINC000100621151 570583760 /nfs/dbraw/zinc/58/37/60/570583760.db2.gz UHSIUWFYSGUUBT-UHFFFAOYSA-N -1 0 364.445 3.746 50 0 FHAARM CCCCn1c(=O)c(C(=O)NCc2ccc(F)cc2)c([O-])c2ccccc21 ZINC000100675216 570591668 /nfs/dbraw/zinc/59/16/68/570591668.db2.gz KYRWNVLPCZWSTQ-UHFFFAOYSA-N -1 0 368.408 3.576 50 0 FHAARM CC(C)(C)c1ccccc1NC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100819659 570603143 /nfs/dbraw/zinc/60/31/43/570603143.db2.gz AIRGEBDQLAFEBV-UHFFFAOYSA-N -1 0 362.429 3.813 50 0 FHAARM CCc1cccc(S(=O)(=O)[N-]c2c(C)nn(-c3ccccc3)c2C)c1 ZINC000080937989 570654329 /nfs/dbraw/zinc/65/43/29/570654329.db2.gz LUHSVAYLPTYLOX-UHFFFAOYSA-N -1 0 355.463 3.852 50 0 FHAARM O=C([O-])C1(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)CC1 ZINC000165017266 570780878 /nfs/dbraw/zinc/78/08/78/570780878.db2.gz FAAGMZGNUHMFEV-UHFFFAOYSA-N -1 0 364.854 3.521 50 0 FHAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(Cl)c4)c=3c2=O)c1 ZINC000101260765 570817949 /nfs/dbraw/zinc/81/79/49/570817949.db2.gz YNEGTWITNLBRJH-IRXDYDNUSA-N -1 0 368.824 3.763 50 0 FHAARM CCCCn1c(C)c2c(cc1=O)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000101514362 570821116 /nfs/dbraw/zinc/82/11/16/570821116.db2.gz DWBFONGEDXTWFN-UHFFFAOYSA-N -1 0 354.435 3.563 50 0 FHAARM Cc1ccc(Cc2c(C)nc3[n-]c(CNc4ccc(C)cc4)nn3c2=O)cc1 ZINC000101803027 570824157 /nfs/dbraw/zinc/82/41/57/570824157.db2.gz NACGWFFEMKQLBJ-UHFFFAOYSA-N -1 0 373.460 3.546 50 0 FHAARM O=C1[N-]C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N1 ZINC000015012709 570829171 /nfs/dbraw/zinc/82/91/71/570829171.db2.gz MHLKWYRNNPNYHV-CHHVJCJISA-N -1 0 363.200 3.753 50 0 FHAARM COC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000017075090 570866908 /nfs/dbraw/zinc/86/69/08/570866908.db2.gz HBGFBZZIRDBJLS-STQMWFEESA-N -1 0 365.451 3.537 50 0 FHAARM Cc1c(Cn2c(=O)c3cc(-c4ccccc4)sc3[n-]c2=S)cnn1C ZINC000017075614 570867278 /nfs/dbraw/zinc/86/72/78/570867278.db2.gz OTAJXTHQMOZVPP-UHFFFAOYSA-N -1 0 368.487 3.878 50 0 FHAARM CCCc1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000017076451 570868364 /nfs/dbraw/zinc/86/83/64/570868364.db2.gz DNLLMJOXAONIGO-UHFFFAOYSA-N -1 0 373.453 3.824 50 0 FHAARM O=C([O-])c1cc(C2CC2)nc2c3c(nn21)nc(C(F)(F)F)cc3C1CC1 ZINC000020615721 570921775 /nfs/dbraw/zinc/92/17/75/570921775.db2.gz NSLJVDCSMAETER-UHFFFAOYSA-N -1 0 362.311 3.749 50 0 FHAARM CCC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)c1 ZINC000047933520 570932469 /nfs/dbraw/zinc/93/24/69/570932469.db2.gz BNRSFHLAVSSAJF-UHFFFAOYSA-N -1 0 368.418 3.599 50 0 FHAARM COc1cc(F)c(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1OC ZINC000026528548 571006285 /nfs/dbraw/zinc/00/62/85/571006285.db2.gz GUHQALGDWHWTHO-UHFFFAOYSA-N -1 0 353.415 3.767 50 0 FHAARM CSc1cccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000225394280 571032947 /nfs/dbraw/zinc/03/29/47/571032947.db2.gz BUDVTIPHNPPGAL-QGZVFWFLSA-N -1 0 369.446 3.707 50 0 FHAARM CCCn1c2ccccc2c([O-])c(C(=O)Nc2cccc(C)c2C)c1=O ZINC000001240889 571043816 /nfs/dbraw/zinc/04/38/16/571043816.db2.gz KQMTWCAOEFDIKV-UHFFFAOYSA-N -1 0 350.418 3.986 50 0 FHAARM O=S(=O)([N-]c1nc2ccccc2n1-c1ccccc1)c1cccs1 ZINC000225551854 571045215 /nfs/dbraw/zinc/04/52/15/571045215.db2.gz QMMIETPFCGHAPJ-UHFFFAOYSA-N -1 0 355.444 3.888 50 0 FHAARM O=C([N-]n1cnc2ccccc2c1=O)c1sc2cc(F)ccc2c1Cl ZINC000012816367 571115852 /nfs/dbraw/zinc/11/58/52/571115852.db2.gz OSKLCLSPWIOSNJ-UHFFFAOYSA-N -1 0 373.796 3.788 50 0 FHAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000244723492 571126439 /nfs/dbraw/zinc/12/64/39/571126439.db2.gz MCPMVRDEJZSAFI-QGZVFWFLSA-N -1 0 367.445 3.983 50 0 FHAARM CC(C)(C)c1nc2cc(NC(=O)C[C@]3(C(=O)[O-])CCSC3)ccc2o1 ZINC000071846840 571127121 /nfs/dbraw/zinc/12/71/21/571127121.db2.gz SVCXUBOATSHLKZ-GOSISDBHSA-N -1 0 362.451 3.662 50 0 FHAARM O=c1c(S(=O)(=O)c2cccc(F)c2)c[n-]c2c(F)ccc(Cl)c12 ZINC000015829511 571130184 /nfs/dbraw/zinc/13/01/84/571130184.db2.gz QWLABBOLIKOAAB-UHFFFAOYSA-N -1 0 355.749 3.705 50 0 FHAARM O=C([O-])C[P@](=O)(c1ccccc1)c1ccccc1OCc1ccccc1 ZINC000105393863 571143469 /nfs/dbraw/zinc/14/34/69/571143469.db2.gz ZLHZEOXXWGSWRO-SANMLTNESA-N -1 0 366.353 3.664 50 0 FHAARM COc1ccc(-c2cc(CSc3nc(CC(=O)[O-])cs3)on2)cc1 ZINC000012945943 571153458 /nfs/dbraw/zinc/15/34/58/571153458.db2.gz KEGMQSVUWVBRHE-UHFFFAOYSA-N -1 0 362.432 3.726 50 0 FHAARM CCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3cccs3)ccc2s1 ZINC000033116454 571156357 /nfs/dbraw/zinc/15/63/57/571156357.db2.gz CCDUZMRQHBCYDC-UHFFFAOYSA-N -1 0 367.477 3.507 50 0 FHAARM COc1ccc([C@@H]2CCCN2Cc2nc(=O)c3sccc3[n-]2)c(OC)c1 ZINC000035306343 571156396 /nfs/dbraw/zinc/15/63/96/571156396.db2.gz JQDOGRJZJZCWDO-HNNXBMFYSA-N -1 0 371.462 3.751 50 0 FHAARM COc1cc(C(=O)[O-])ccc1OC(=O)COc1cc(C)ccc1C(C)C ZINC000075250149 571158241 /nfs/dbraw/zinc/15/82/41/571158241.db2.gz OLKCZIBAHGWQCU-UHFFFAOYSA-N -1 0 358.390 3.810 50 0 FHAARM CCOc1ccc(-c2ccnc(COc3ccccc3)n2)cc1C(=O)[O-] ZINC000071419380 571161369 /nfs/dbraw/zinc/16/13/69/571161369.db2.gz PZLLPMUQWBHNBG-UHFFFAOYSA-N -1 0 350.374 3.820 50 0 FHAARM C[C@H](C(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]21C ZINC000257349396 571163504 /nfs/dbraw/zinc/16/35/04/571163504.db2.gz NVSBPOIDOGLQAT-MWGNPIAVSA-N -1 0 362.510 3.906 50 0 FHAARM CC(C)c1cccc(N(C)S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC000063181927 571166901 /nfs/dbraw/zinc/16/69/01/571166901.db2.gz BRTQGBPVGPBNIA-UHFFFAOYSA-N -1 0 361.463 3.652 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000001225508 571176248 /nfs/dbraw/zinc/17/62/48/571176248.db2.gz GBWLQBWXXZFZRD-UHFFFAOYSA-N -1 0 372.490 3.858 50 0 FHAARM Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000075433557 571178607 /nfs/dbraw/zinc/17/86/07/571178607.db2.gz FDTNGMSQFMMFTA-UHFFFAOYSA-N -1 0 363.389 3.568 50 0 FHAARM CCc1cccc([N-]S(=O)(=O)c2cc(-c3noc(C)n3)sc2C)c1 ZINC000035539155 571181118 /nfs/dbraw/zinc/18/11/18/571181118.db2.gz MYFLLJQUNKBRTG-UHFFFAOYSA-N -1 0 363.464 3.778 50 0 FHAARM Cc1oc2nc(CSc3ccc4ccccc4c3)[nH]c(=O)c2c1C(=O)[O-] ZINC000012985753 571185096 /nfs/dbraw/zinc/18/50/96/571185096.db2.gz LRIWXABIDUAJFQ-UHFFFAOYSA-N -1 0 366.398 3.968 50 0 FHAARM COc1ccc(-c2oc3c(c2CC(=O)[O-])c(=O)oc2ccccc32)cc1 ZINC000524729349 571190879 /nfs/dbraw/zinc/19/08/79/571190879.db2.gz PMSYDSCWDPZQQI-UHFFFAOYSA-N -1 0 350.326 3.842 50 0 FHAARM Cc1c2ccccc2[nH]c1C(=O)N1CC[C@@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000072430957 571195504 /nfs/dbraw/zinc/19/55/04/571195504.db2.gz PSHFKKPLEMTDRI-INIZCTEOSA-N -1 0 362.429 3.879 50 0 FHAARM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCC(C(=O)[O-])CC3)c2c1 ZINC000178181755 571227299 /nfs/dbraw/zinc/22/72/99/571227299.db2.gz WYQNYVAFYDBRCO-UHFFFAOYSA-N -1 0 352.434 3.666 50 0 FHAARM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000007054073 571259623 /nfs/dbraw/zinc/25/96/23/571259623.db2.gz QGVKVDKPSDBSLO-UHFFFAOYSA-N -1 0 372.899 3.684 50 0 FHAARM CCc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000170090675 571262185 /nfs/dbraw/zinc/26/21/85/571262185.db2.gz NQPOBPABLXAYDC-MRXNPFEDSA-N -1 0 356.447 3.853 50 0 FHAARM O=C([O-])c1nsc2c1NC(=O)C[C@@H]2c1cccc(Br)c1 ZINC000071283078 571269777 /nfs/dbraw/zinc/26/97/77/571269777.db2.gz LQYQPUDQMFVBOZ-MRVPVSSYSA-N -1 0 353.197 3.727 50 0 FHAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(C[C@@H](C)c1ccccc1)c2=O ZINC000017113814 571275149 /nfs/dbraw/zinc/27/51/49/571275149.db2.gz MGGWXYYZUWNLJD-GFCCVEGCSA-N -1 0 354.431 3.649 50 0 FHAARM O=C([O-])C[C@H](NC(=O)c1cnc(-c2ccsc2)s1)c1ccccc1 ZINC000238024156 571277378 /nfs/dbraw/zinc/27/73/78/571277378.db2.gz BSEPDYCIMDIJGL-ZDUSSCGKSA-N -1 0 358.444 3.817 50 0 FHAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2nc3ccccc3s2)c1=O ZINC000100498558 571277764 /nfs/dbraw/zinc/27/77/64/571277764.db2.gz ADARCKJODGRFRF-UHFFFAOYSA-N -1 0 365.414 3.589 50 0 FHAARM C[C@@H](C(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257356543 571311657 /nfs/dbraw/zinc/31/16/57/571311657.db2.gz IXDBAXFCCXETKU-PPBJVFGUSA-N -1 0 364.526 3.698 50 0 FHAARM Cc1cc(S(=O)(=O)[N-]c2nnc(-c3ccc(C)c(F)c3)o2)c(C)s1 ZINC000253433284 571316717 /nfs/dbraw/zinc/31/67/17/571316717.db2.gz VEZQBYFXDIYPMP-UHFFFAOYSA-N -1 0 367.427 3.663 50 0 FHAARM Cc1c(O[C@H](C)C(=O)[O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000000637122 571319105 /nfs/dbraw/zinc/31/91/05/571319105.db2.gz YCSRGPBZJGMZSN-CQSZACIVSA-N -1 0 352.386 3.853 50 0 biogenic FHAARM CCn1cc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCCCC4)nc3c2)cn1 ZINC000079052787 571326736 /nfs/dbraw/zinc/32/67/36/571326736.db2.gz RIZFVQYZOPIDJM-UHFFFAOYSA-N -1 0 373.482 3.628 50 0 FHAARM CC(=O)c1ccc([O-])c(NC(=O)c2cc(F)cc(Br)c2)c1 ZINC000095465023 571330374 /nfs/dbraw/zinc/33/03/74/571330374.db2.gz ZMWAILMUZIZRHX-UHFFFAOYSA-N -1 0 352.159 3.749 50 0 FHAARM O=C([O-])c1ccc([C@@H]2SCC(=O)Nc3c2cnn3-c2ccccc2)cc1 ZINC000095478025 571330966 /nfs/dbraw/zinc/33/09/66/571330966.db2.gz WXPGFZXGDKBFSD-KRWDZBQOSA-N -1 0 365.414 3.995 50 0 FHAARM CCCCc1ccc(C(=O)N[C@@H](C[C@@H]2CNc3ccccc32)C(=O)[O-])cc1 ZINC000670417856 571339168 /nfs/dbraw/zinc/33/91/68/571339168.db2.gz VKODPLHWBVQGSA-XLIONFOSSA-N -1 0 366.461 3.812 50 0 FHAARM O=C(CCCCn1c(=O)c2sccc2[n-]c1=S)NC1CCCCC1 ZINC000002925483 571341815 /nfs/dbraw/zinc/34/18/15/571341815.db2.gz RGQWVWSSVYWGNG-UHFFFAOYSA-N -1 0 365.524 3.740 50 0 FHAARM CC(C)n1ncc2cc([N-]S(=O)(=O)c3ccc(Cl)s3)cnc21 ZINC000032097946 571355689 /nfs/dbraw/zinc/35/56/89/571355689.db2.gz PLEGSNCXTLRXEQ-UHFFFAOYSA-N -1 0 356.860 3.528 50 0 FHAARM CC1CCC(NC(=O)/C=C\c2cnc(C(C)(C)C)s2)(C(=O)[O-])CC1 ZINC000606442684 939807524 /nfs/dbraw/zinc/80/75/24/939807524.db2.gz BDONYPPMDMQPGY-WAYWQWQTSA-N -1 0 350.484 3.604 50 0 FHAARM COc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000001125002 219375142 /nfs/dbraw/zinc/37/51/42/219375142.db2.gz XDDXNLXDIGSESU-UHFFFAOYSA-N -1 0 364.195 3.717 50 0 FHAARM O=C([O-])c1ccc(NC(=S)NC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000001142141 219378984 /nfs/dbraw/zinc/37/89/84/219378984.db2.gz IIJACTPENQSVIO-UHFFFAOYSA-N -1 0 369.229 3.818 50 0 FHAARM C/C=C/c1ccc(OCCOCCOc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000002986860 219480439 /nfs/dbraw/zinc/48/04/39/219480439.db2.gz YCUFMEKDZSUZJW-ONEGZZNKSA-N -1 0 372.417 3.901 50 0 FHAARM COc1ccc(S(=O)(=O)[N-]c2c(C)nn(-c3ccc(C)cc3)c2C)cc1 ZINC000012544739 220006026 /nfs/dbraw/zinc/00/60/26/220006026.db2.gz HUGCDEQMYRPNBK-UHFFFAOYSA-N -1 0 371.462 3.607 50 0 FHAARM CCOc1ccccc1Oc1c(C)oc2cc(OCC(=O)[O-])ccc2c1=O ZINC000011764786 203923440 /nfs/dbraw/zinc/92/34/40/203923440.db2.gz RQYJVSQKXSCVDN-UHFFFAOYSA-N -1 0 370.357 3.756 50 0 FHAARM O=C([O-])c1ccccc1N1C(=O)c2ccc(Oc3ccccc3)cc2C1=O ZINC000001203173 203993307 /nfs/dbraw/zinc/99/33/07/203993307.db2.gz QSHZJFOQEYUGGQ-UHFFFAOYSA-N -1 0 359.337 3.978 50 0 FHAARM O=C([O-])c1ccc(Cn2nc(C(F)F)c(Br)c2C(F)F)o1 ZINC000002549580 204043454 /nfs/dbraw/zinc/04/34/54/204043454.db2.gz PXTASGOSXCNATR-UHFFFAOYSA-N -1 0 371.084 3.860 50 0 FHAARM O=S(=O)([N-]c1ccc(Br)cc1)c1cccc2cccnc21 ZINC000002465218 204040223 /nfs/dbraw/zinc/04/02/23/204040223.db2.gz ZRIVCENPMRMEDM-UHFFFAOYSA-N -1 0 363.236 3.798 50 0 FHAARM Cc1nn(-c2ccc(C)cc2)c2[n-]cc(C(=O)Nc3cccc(C)c3)c(=O)c12 ZINC000010166801 204000720 /nfs/dbraw/zinc/00/07/20/204000720.db2.gz SGXRNAJMBGECAG-UHFFFAOYSA-N -1 0 372.428 3.891 50 0 FHAARM COC(=O)c1c(C=CNc2ccc(C(=O)[O-])cc2)onc1-c1ccccc1 ZINC000001395657 204003687 /nfs/dbraw/zinc/00/36/87/204003687.db2.gz SNJITGHGLYCEDP-VAWYXSNFSA-N -1 0 364.357 3.909 50 0 FHAARM O=C([O-])C[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000001436073 204007138 /nfs/dbraw/zinc/00/71/38/204007138.db2.gz NOVFSLBJPZLTLZ-CQSZACIVSA-N -1 0 351.402 3.732 50 0 FHAARM CCSc1nnc([N-]C(=O)c2c(F)c(F)c(F)c(F)c2F)s1 ZINC000002114603 204026079 /nfs/dbraw/zinc/02/60/79/204026079.db2.gz NRDASYOXFMPRQZ-UHFFFAOYSA-N -1 0 355.313 3.598 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000002290510 204032722 /nfs/dbraw/zinc/03/27/22/204032722.db2.gz HWIXNSOEXZSSRR-UHFFFAOYSA-N -1 0 373.459 3.629 50 0 FHAARM O=S(=O)([N-]c1ccccc1OC(F)F)c1ccc(Cl)cc1F ZINC000003328143 204090726 /nfs/dbraw/zinc/09/07/26/204090726.db2.gz ZHKWVAWDJQANJN-UHFFFAOYSA-N -1 0 351.733 3.881 50 0 FHAARM CC(C)(C)OC(=O)N1CCCN([C@@H](C(=O)[O-])c2cc3ccccc3o2)CC1 ZINC000002527346 204043834 /nfs/dbraw/zinc/04/38/34/204043834.db2.gz IPNVAELLYIYJQT-QGZVFWFLSA-N -1 0 374.437 3.501 50 0 FHAARM O=C([O-])[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000002526803 204043935 /nfs/dbraw/zinc/04/39/35/204043935.db2.gz FINXGQXNIBNREL-CQSZACIVSA-N -1 0 351.402 3.732 50 0 FHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000002627535 204046879 /nfs/dbraw/zinc/04/68/79/204046879.db2.gz HOYCYKQATJHQBP-UHFFFAOYSA-N -1 0 356.241 3.649 50 0 FHAARM COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c(OC)c1 ZINC000002653663 204049642 /nfs/dbraw/zinc/04/96/42/204049642.db2.gz COIWYBDZRCDBCF-UHFFFAOYSA-N -1 0 362.234 3.811 50 0 FHAARM COC(=O)c1c(NC(=O)CCC(=O)[O-])sc(C)c1-c1ccc(C)cc1 ZINC000002754521 204054543 /nfs/dbraw/zinc/05/45/43/204054543.db2.gz YZSLEMPOTYLADL-UHFFFAOYSA-N -1 0 361.419 3.622 50 0 FHAARM Cn1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(C(=O)[O-])n1 ZINC000002806316 204059468 /nfs/dbraw/zinc/05/94/68/204059468.db2.gz YUGFJMZMFPJNLK-UHFFFAOYSA-N -1 0 370.217 3.892 50 0 FHAARM Cn1c2ccccc2c(CC(=O)Nc2ccc(F)c(Cl)c2)c1C(=O)[O-] ZINC000003660266 204110601 /nfs/dbraw/zinc/11/06/01/204110601.db2.gz NGNJCVQRLZWBCE-UHFFFAOYSA-N -1 0 360.772 3.850 50 0 FHAARM O=c1oc2cc([O-])ccc2cc1-c1nnc(NCc2ccccc2)s1 ZINC000003911138 204115106 /nfs/dbraw/zinc/11/51/06/204115106.db2.gz QENGXVPZUFFJGY-UHFFFAOYSA-N -1 0 351.387 3.629 50 0 biogenic FHAARM Cc1c(C(=O)[O-])sc2[nH]c(SC/C=C/c3ccccc3)nc(=O)c12 ZINC000004094680 204121269 /nfs/dbraw/zinc/12/12/69/204121269.db2.gz JZKRSIOIWPJKFT-VMPITWQZSA-N -1 0 358.444 3.797 50 0 FHAARM CCN(C(=O)Cc1c2ccccc2n(C)c1C(=O)[O-])c1cccc(C)c1 ZINC000004192568 204127551 /nfs/dbraw/zinc/12/75/51/204127551.db2.gz FLGRQQVSFXYGMO-UHFFFAOYSA-N -1 0 350.418 3.781 50 0 FHAARM COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1OC ZINC000003424788 204099312 /nfs/dbraw/zinc/09/93/12/204099312.db2.gz CGQZRRFLZQZGMS-UHFFFAOYSA-N -1 0 362.234 3.811 50 0 FHAARM CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C(=O)[O-] ZINC000004624338 204150231 /nfs/dbraw/zinc/15/02/31/204150231.db2.gz ATPFDBZDQKNZQY-UHFFFAOYSA-N -1 0 366.373 3.862 50 0 FHAARM Cc1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(C(=O)OC(C)C)c1C ZINC000004611871 204151063 /nfs/dbraw/zinc/15/10/63/204151063.db2.gz AGSXEMJMVQQVRA-QWHCGFSZSA-N -1 0 365.451 3.536 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C2=N[C@@H](C(C)C)CO2)cc1 ZINC000004660812 204152480 /nfs/dbraw/zinc/15/24/80/204152480.db2.gz NYEBDQQKSHSZER-GOSISDBHSA-N -1 0 358.463 3.597 50 0 FHAARM O=C([O-])C[C@H](NC(=O)Cc1cccs1)c1ccc(OC2CCCC2)cc1 ZINC000004689296 204155027 /nfs/dbraw/zinc/15/50/27/204155027.db2.gz XHLIAWBODHXGHH-SFHVURJKSA-N -1 0 373.474 3.944 50 0 FHAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000004821243 204167271 /nfs/dbraw/zinc/16/72/71/204167271.db2.gz DANQTRBHKJMWOL-MSOLQXFVSA-N -1 0 372.465 3.579 50 0 FHAARM CC(C)(C)OC(=O)N1C[C@@H](c2ccc(C(F)(F)F)cc2)[C@H](C(=O)[O-])C1 ZINC000004241677 204128655 /nfs/dbraw/zinc/12/86/55/204128655.db2.gz QCXSJRUEERTHEK-QWHCGFSZSA-N -1 0 359.344 3.741 50 0 FHAARM O=C([O-])c1ccccc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000004492545 204141859 /nfs/dbraw/zinc/14/18/59/204141859.db2.gz FPZFNJIXSSSIMM-UHFFFAOYSA-N -1 0 366.398 3.951 50 0 FHAARM COc1ccc(-c2csc(-n3ncc(C(=O)[O-])c3C(F)(F)F)n2)cc1 ZINC000005360846 204204142 /nfs/dbraw/zinc/20/41/42/204204142.db2.gz QKNWCKIISBFDQN-UHFFFAOYSA-N -1 0 369.324 3.721 50 0 FHAARM O=C([O-])CSc1c2ccc(C(=O)N3CCCC3)cc2nc2c1CCCC2 ZINC000004940193 204178234 /nfs/dbraw/zinc/17/82/34/204178234.db2.gz METDOUSANZPDKS-UHFFFAOYSA-N -1 0 370.474 3.526 50 0 FHAARM CCOc1ccccc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000005127000 204192894 /nfs/dbraw/zinc/19/28/94/204192894.db2.gz QJYIXNYGNPXTBQ-UHFFFAOYSA-N -1 0 356.241 3.649 50 0 FHAARM COc1ccccc1S(=O)(=O)[N-]c1cc(-c2cc(C)c(C)cc2C)n[nH]1 ZINC000006549710 204253163 /nfs/dbraw/zinc/25/31/63/204253163.db2.gz QSWSXGVSUWLHHK-UHFFFAOYSA-N -1 0 371.462 3.811 50 0 FHAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(/C=C/c2ccccn2)c1 ZINC000007054639 204288395 /nfs/dbraw/zinc/28/83/95/204288395.db2.gz KJEANOVDVAGWEH-MDZDMXLPSA-N -1 0 355.419 3.658 50 0 FHAARM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1F ZINC000007055967 204288482 /nfs/dbraw/zinc/28/84/82/204288482.db2.gz YCFGLEZNYAWJJJ-UHFFFAOYSA-N -1 0 353.268 3.664 50 0 FHAARM CSc1ccc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1 ZINC000007157871 204290783 /nfs/dbraw/zinc/29/07/83/204290783.db2.gz VZQMIQSAUKNDSF-JLHYYAGUSA-N -1 0 364.426 3.761 50 0 FHAARM CCOc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1OCC ZINC000008107864 204318214 /nfs/dbraw/zinc/31/82/14/204318214.db2.gz OLCKXAAAYSTNLF-UHFFFAOYSA-N -1 0 357.378 3.563 50 0 FHAARM O=S(=O)([N-]c1ccccc1O)c1ccc(Cl)cc1C(F)(F)F ZINC000008132992 204318765 /nfs/dbraw/zinc/31/87/65/204318765.db2.gz KPZNQTLHPMKKSK-UHFFFAOYSA-N -1 0 351.733 3.865 50 0 FHAARM O=C(CSc1nnc(Cc2cccs2)n1C1CC1)c1ccc(O)cc1 ZINC000008255973 204324087 /nfs/dbraw/zinc/32/40/87/204324087.db2.gz BUNYKVDPKWGVQO-UHFFFAOYSA-N -1 0 371.487 3.946 50 0 FHAARM CCOC(=O)c1cnc([N-]c2nc(C)c3cc(C)cc(C)c3n2)nc1C ZINC000009016057 204351539 /nfs/dbraw/zinc/35/15/39/204351539.db2.gz LFSBPIWOQFDFGT-UHFFFAOYSA-N -1 0 351.410 3.574 50 0 FHAARM O=c1nc(SCc2ccccc2F)nc2c(-c3ccc(F)cc3)c[n-]n21 ZINC000009106879 204354002 /nfs/dbraw/zinc/35/40/02/204354002.db2.gz OZFNZNRVJTUBLN-UHFFFAOYSA-N -1 0 370.384 3.655 50 0 FHAARM COc1ccc(Nc2nnc(Cc3ccccc3Cl)c(=O)[n-]2)c(OC)c1 ZINC000009669237 204376820 /nfs/dbraw/zinc/37/68/20/204376820.db2.gz ZDPUDVOXVCFPKX-UHFFFAOYSA-N -1 0 372.812 3.582 50 0 FHAARM O=C([O-])C/C(=C\c1cnn(-c2ccccc2)n1)c1nc2ccccc2s1 ZINC000009647599 204377398 /nfs/dbraw/zinc/37/73/98/204377398.db2.gz UKSJDWWSBYTLRP-JLHYYAGUSA-N -1 0 362.414 3.892 50 0 FHAARM CCCN(CCC)C(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000012403831 204458727 /nfs/dbraw/zinc/45/87/27/204458727.db2.gz JAECRSGGHKIPFZ-MSOLQXFVSA-N -1 0 374.481 3.778 50 0 FHAARM COc1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1OC ZINC000012532623 204470484 /nfs/dbraw/zinc/47/04/84/204470484.db2.gz ZYMRWONUZSEBRT-UHFFFAOYSA-N -1 0 368.263 3.873 50 0 FHAARM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000013040630 204520429 /nfs/dbraw/zinc/52/04/29/204520429.db2.gz ABPZUWXFBDGCCW-HNNXBMFYSA-N -1 0 360.479 3.633 50 0 FHAARM Cc1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c(Br)c1 ZINC000013248968 204526425 /nfs/dbraw/zinc/52/64/25/204526425.db2.gz XDPVEMBIUAJFGX-ZDUSSCGKSA-N -1 0 362.223 3.955 50 0 FHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(Cl)c2Cl)c1 ZINC000024153044 204816718 /nfs/dbraw/zinc/81/67/18/204816718.db2.gz FMZQZWLFKTXXFP-UHFFFAOYSA-N -1 0 374.245 3.745 50 0 FHAARM Cc1nn2c(nc(-c3ccc(OC(F)F)cc3)cc2C(=O)[O-])c1Cl ZINC000036615677 205017444 /nfs/dbraw/zinc/01/74/44/205017444.db2.gz YKOUIBMXHNGMOV-UHFFFAOYSA-N -1 0 353.712 3.658 50 0 FHAARM O=C([O-])[C@H]1CCC=C[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000038528627 205041926 /nfs/dbraw/zinc/04/19/26/205041926.db2.gz OTYJADWWVDSUOQ-AZUAARDMSA-N -1 0 363.413 3.945 50 0 FHAARM COc1cccc([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)cs2)c1 ZINC000044890475 205112386 /nfs/dbraw/zinc/11/23/86/205112386.db2.gz JORSBSXBMFRIQW-UHFFFAOYSA-N -1 0 364.448 3.829 50 0 FHAARM O=C(c1csc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCCCCC1 ZINC000045961807 205127638 /nfs/dbraw/zinc/12/76/38/205127638.db2.gz MZRAPONIZMNMPH-UHFFFAOYSA-N -1 0 364.492 3.565 50 0 FHAARM C[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1ccc(F)cc1F ZINC000047049194 205140910 /nfs/dbraw/zinc/14/09/10/205140910.db2.gz PTNBNLRWPQLENX-MRVPVSSYSA-N -1 0 361.373 3.767 50 0 FHAARM COc1ccc(C)cc1CN(C)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000047060332 205142114 /nfs/dbraw/zinc/14/21/14/205142114.db2.gz ARYXOHYPACGPNA-UHFFFAOYSA-N -1 0 369.446 3.587 50 0 FHAARM Cc1c(NC(=O)CC2(CC(=O)[O-])CCCCC2)cccc1N1CCCC1=O ZINC000055150632 205208175 /nfs/dbraw/zinc/20/81/75/205208175.db2.gz UWCIMWDOOXDSMQ-UHFFFAOYSA-N -1 0 372.465 3.876 50 0 FHAARM Cc1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])ccc1Oc1cccnc1 ZINC000058167313 205252087 /nfs/dbraw/zinc/25/20/87/205252087.db2.gz JLKJKYKEPAKRQA-IRXDYDNUSA-N -1 0 352.390 3.788 50 0 FHAARM Cc1cccc(S(=O)(=O)[N-]c2ccccc2OCc2cscn2)c1 ZINC000058162569 205253127 /nfs/dbraw/zinc/25/31/27/205253127.db2.gz HMYGFGGGIFOFQC-UHFFFAOYSA-N -1 0 360.460 3.831 50 0 FHAARM Cc1ccc(S(=O)(=O)Nc2ccc(-n3cccc3C(=O)[O-])c(C)c2)cc1 ZINC000058185575 205257288 /nfs/dbraw/zinc/25/72/88/205257288.db2.gz IBPZENBSRAVMKC-UHFFFAOYSA-N -1 0 370.430 3.593 50 0 FHAARM COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000063810664 205294123 /nfs/dbraw/zinc/29/41/23/205294123.db2.gz PRBBRQIUXURLMP-SECBINFHSA-N -1 0 373.409 3.637 50 0 FHAARM O=C(Nc1ccc(Cl)cc1Cl)c1c(=O)[nH]c2ccsc2c1[O-] ZINC000065215110 205325555 /nfs/dbraw/zinc/32/55/55/205325555.db2.gz NOTGMROMFSZBAK-UHFFFAOYSA-N -1 0 355.202 3.854 50 0 FHAARM O=S(=O)([N-]c1cccn2cnnc12)c1ccc(C2CCCCC2)cc1 ZINC000065228766 205325683 /nfs/dbraw/zinc/32/56/83/205325683.db2.gz WUXCQUHADGHAOA-UHFFFAOYSA-N -1 0 356.451 3.578 50 0 FHAARM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CCC3)o2)o1 ZINC000065246396 205329139 /nfs/dbraw/zinc/32/91/39/205329139.db2.gz OXYXHYKQTJFRFY-UHFFFAOYSA-N -1 0 359.407 3.706 50 0 FHAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@H]2c1cccnc1 ZINC000064795467 205305929 /nfs/dbraw/zinc/30/59/29/205305929.db2.gz FXSLFKSUXLDYTP-ZDUSSCGKSA-N -1 0 350.399 3.982 50 0 FHAARM Cc1nnc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)s2)o1 ZINC000064920008 205309514 /nfs/dbraw/zinc/30/95/14/205309514.db2.gz RMBQAELBTHUTKN-UHFFFAOYSA-N -1 0 369.855 3.869 50 0 FHAARM CCc1nnc(-c2csc(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)o1 ZINC000065098656 205318016 /nfs/dbraw/zinc/31/80/16/205318016.db2.gz JITCQXRCWDGXOL-UHFFFAOYSA-N -1 0 363.464 3.778 50 0 FHAARM CCn1nccc1-c1csc(S(=O)(=O)[N-]c2ccc(C)cc2F)c1 ZINC000065112442 205318586 /nfs/dbraw/zinc/31/85/86/205318586.db2.gz GNUKUUBFKABTGZ-UHFFFAOYSA-N -1 0 365.455 3.880 50 0 FHAARM CCn1nccc1-c1csc(S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC000065112393 205318686 /nfs/dbraw/zinc/31/86/86/205318686.db2.gz IKBKERWBYRDCHT-UHFFFAOYSA-N -1 0 369.418 3.711 50 0 FHAARM C[C@H]1CCc2c(sc3[nH]c(=O)c(C(=O)Nc4ccccc4)c([O-])c23)C1 ZINC000065150412 205320158 /nfs/dbraw/zinc/32/01/58/205320158.db2.gz ITLVPQOMLKEGQY-JTQLQIEISA-N -1 0 354.431 3.672 50 0 FHAARM CCc1ccccc1[N-]S(=O)(=O)c1c(C(C)C)nc2sc(C)nn21 ZINC000065183972 205321556 /nfs/dbraw/zinc/32/15/56/205321556.db2.gz BBHNLPDWEDBHGL-UHFFFAOYSA-N -1 0 364.496 3.586 50 0 FHAARM Cc1nnc(Cn2cnc(-c3ccccc3)c2-c2ccc(C(=O)[O-])cc2)o1 ZINC000065526159 205356578 /nfs/dbraw/zinc/35/65/78/205356578.db2.gz CBXJFVSIPCIJLQ-UHFFFAOYSA-N -1 0 360.373 3.655 50 0 FHAARM O=C([O-])c1ccc([C@@H]2CC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 ZINC000071283369 205425607 /nfs/dbraw/zinc/42/56/07/205425607.db2.gz ZEIVBKVCZMTDOM-HNNXBMFYSA-N -1 0 369.421 3.894 50 0 FHAARM O=C([O-])CCc1cc2n(n1)CCCN(Cc1c(Cl)cccc1Cl)C2 ZINC000072417889 205534950 /nfs/dbraw/zinc/53/49/50/205534950.db2.gz LJCJHAYKCFWGOW-UHFFFAOYSA-N -1 0 368.264 3.613 50 0 FHAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(C)nc3cc(Cl)ccc32)C1 ZINC000091411722 205671628 /nfs/dbraw/zinc/67/16/28/205671628.db2.gz IYKGKHUNTBYYGO-IBGZPJMESA-N -1 0 360.841 3.914 50 0 FHAARM COc1ccc(NC(=O)c2csc([N-]c3ncccn3)n2)cc1Cl ZINC000049032220 206086060 /nfs/dbraw/zinc/08/60/60/206086060.db2.gz LFKLUBNXMICWDY-UHFFFAOYSA-N -1 0 361.814 3.591 50 0 FHAARM CC(=O)c1cccc(NC(=O)c2csc([N-]c3nc(C)cc(C)n3)n2)c1 ZINC000049032294 206086511 /nfs/dbraw/zinc/08/65/11/206086511.db2.gz VWEZBQNOIRSMRJ-UHFFFAOYSA-N -1 0 367.434 3.748 50 0 FHAARM COc1ccccc1-c1nc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cs1 ZINC000237349534 206102141 /nfs/dbraw/zinc/10/21/41/206102141.db2.gz ICIXYTUUSATUHL-ZDUSSCGKSA-N -1 0 374.462 3.536 50 0 FHAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cccc(OCc2cscn2)c1 ZINC000237996223 206111162 /nfs/dbraw/zinc/11/11/62/206111162.db2.gz MXLCBQTWUYMPAW-MRXNPFEDSA-N -1 0 374.462 3.582 50 0 FHAARM O=C([O-])C1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CC1 ZINC000238020496 206111373 /nfs/dbraw/zinc/11/13/73/206111373.db2.gz ZFTRABCMDZPKDB-UHFFFAOYSA-N -1 0 356.249 3.738 50 0 FHAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cnc(-c2ccccc2F)s1 ZINC000237943482 206112252 /nfs/dbraw/zinc/11/22/52/206112252.db2.gz WIMGPNYBUDPQDC-LBPRGKRZSA-N -1 0 362.426 3.809 50 0 FHAARM Cc1ccc(Oc2ccc(OCC(=O)N[C@H](CC(C)C)C(=O)[O-])cc2)cc1 ZINC000003207909 206158706 /nfs/dbraw/zinc/15/87/06/206158706.db2.gz JBHPJQWYPKWYFT-LJQANCHMSA-N -1 0 371.433 3.782 50 0 FHAARM CC[C@@H](Sc1nnc(NC(=O)Nc2ccc(C)c(C)c2)s1)C(=O)[O-] ZINC000005254012 206190611 /nfs/dbraw/zinc/19/06/11/206190611.db2.gz RWUYBSBOLKYFFW-LLVKDONJSA-N -1 0 366.468 3.754 50 0 FHAARM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)ccc1N1CCCC1=O ZINC000005329313 206194230 /nfs/dbraw/zinc/19/42/30/206194230.db2.gz NBBLSJIRNDYXAI-UHFFFAOYSA-N -1 0 370.883 3.638 50 0 FHAARM CSCC[C@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000005150714 206239284 /nfs/dbraw/zinc/23/92/84/206239284.db2.gz GASPUQRCRGKXBK-INIZCTEOSA-N -1 0 360.435 3.807 50 0 FHAARM Cc1nnc(SCc2ccc(C(=O)c3ccc(F)cc3)cc2)[n-]c1=O ZINC000012377990 206290911 /nfs/dbraw/zinc/29/09/11/206290911.db2.gz QAUZFVMEEKXZKK-UHFFFAOYSA-N -1 0 355.394 3.548 50 0 FHAARM Cc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)cc1 ZINC000012630393 206294253 /nfs/dbraw/zinc/29/42/53/206294253.db2.gz FLGQMFVRIXWTOL-UHFFFAOYSA-N -1 0 362.195 3.837 50 0 FHAARM Cc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c(Cl)c1 ZINC000013345606 206301403 /nfs/dbraw/zinc/30/14/03/206301403.db2.gz ZSFGPDPMHQVMTP-WEVVVXLNSA-N -1 0 351.811 3.547 50 0 FHAARM COc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c(OC)c1 ZINC000016147548 206318973 /nfs/dbraw/zinc/31/89/73/206318973.db2.gz CHRZARDGDSMJIV-UHFFFAOYSA-N -1 0 362.234 3.811 50 0 FHAARM O=S(=O)([N-]c1ccc(F)cc1)c1c(F)cc(F)cc1Br ZINC000016101083 206319452 /nfs/dbraw/zinc/31/94/52/206319452.db2.gz ZCXQMZGVLKVDOW-UHFFFAOYSA-N -1 0 366.158 3.667 50 0 FHAARM CCc1nc2sc([C@H](c3ccco3)N3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000016690139 206320247 /nfs/dbraw/zinc/32/02/47/206320247.db2.gz WEYKRRMZTFAVNK-ZOWXZIJZSA-N -1 0 360.483 3.719 50 0 FHAARM CCn1nc(C)c(-c2cc(C(=O)[O-])n3nc(-c4ccccc4)cc3n2)c1C ZINC000020617711 206333941 /nfs/dbraw/zinc/33/39/41/206333941.db2.gz CRHWINGNBGLZLL-UHFFFAOYSA-N -1 0 361.405 3.595 50 0 FHAARM O=C([O-])C/C(=C\c1cnc(N2CCCC2)nc1)c1nc2ccccc2s1 ZINC000208091262 206337546 /nfs/dbraw/zinc/33/75/46/206337546.db2.gz BVNKGNNCOJVJGW-NTEUORMPSA-N -1 0 366.446 3.702 50 0 FHAARM Cc1ccc(C(=O)[O-])c(N2CCC[C@@H](c3nc4c(cccc4C)[nH]3)C2)n1 ZINC000096132217 132219879 /nfs/dbraw/zinc/21/98/79/132219879.db2.gz ZIMKPMPFBGJMBM-CQSZACIVSA-N -1 0 350.422 3.657 50 0 FHAARM C[C@@]12C[C@@H](NC(=O)N1c1ccc(C(=O)[O-])cc1)c1cc(Cl)ccc1O2 ZINC000045918761 132952386 /nfs/dbraw/zinc/95/23/86/132952386.db2.gz JEEOBKDXAZSVSL-RDTXWAMCSA-N -1 0 358.781 3.808 50 0 FHAARM COc1cccc(CC2(C(=O)[O-])CCN(c3ccc(Cl)cn3)CC2)c1 ZINC000071751666 136140157 /nfs/dbraw/zinc/14/01/57/136140157.db2.gz BDWYCDNXHRSMFX-UHFFFAOYSA-N -1 0 360.841 3.658 50 0 FHAARM O=C([O-])[C@@]1(C/C=C/c2ccccc2)CCCN(c2ncnc3[nH]ccc32)C1 ZINC000071767845 136141026 /nfs/dbraw/zinc/14/10/26/136141026.db2.gz AIVOFHDJPKZQNO-VPVJOJIASA-N -1 0 362.433 3.733 50 0 FHAARM CCn1c(-c2ccccc2)csc1=Nc1ccc(S(=O)(=O)[O-])cc1 ZINC000252666544 523083379 /nfs/dbraw/zinc/08/33/79/523083379.db2.gz BVQGWRSKFRSMFC-UHFFFAOYSA-N -1 0 360.460 3.716 50 0 FHAARM Cc1csc(C2(NC(=O)c3nn(-c4ccccc4)cc3[O-])CCCC2)n1 ZINC000328594518 534795629 /nfs/dbraw/zinc/79/56/29/534795629.db2.gz PXUJLBPYBLPLMY-UHFFFAOYSA-N -1 0 368.462 3.542 50 0 FHAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)C1 ZINC000242288046 526273046 /nfs/dbraw/zinc/27/30/46/526273046.db2.gz YKQNNAOPCAUDMM-RBSFLKMASA-N -1 0 370.474 3.669 50 0 FHAARM CCCc1cnc(C)nc1N1CCC[C@@](Cc2ccccc2)(C(=O)[O-])C1 ZINC000071419538 535436090 /nfs/dbraw/zinc/43/60/90/535436090.db2.gz LDIMCJAJFMOCSD-NRFANRHFSA-N -1 0 353.466 3.651 50 0 FHAARM CC[C@]1(CO)CCCN(c2nc(-c3ccc(C)s3)ccc2C(=O)[O-])C1 ZINC000091951240 535951025 /nfs/dbraw/zinc/95/10/25/535951025.db2.gz SIIWZUNAUIPKCO-IBGZPJMESA-N -1 0 360.479 3.806 50 0 FHAARM O=C([O-])c1c(I)c2ccccc2nc1C(F)(F)F ZINC000096171866 570478413 /nfs/dbraw/zinc/47/84/13/570478413.db2.gz QUPXFAVNWSDFEB-UHFFFAOYSA-N -1 0 367.064 3.556 50 0 FHAARM Cn1ccc2c1cccc2C(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095359392 570453931 /nfs/dbraw/zinc/45/39/31/570453931.db2.gz XVOAOSBKDSQVMJ-QGZVFWFLSA-N -1 0 362.429 3.896 50 0 FHAARM Cc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)c(F)c1F ZINC000095363466 570454367 /nfs/dbraw/zinc/45/43/67/570454367.db2.gz XREQPBFANZJKQZ-HNNXBMFYSA-N -1 0 359.372 3.991 50 0 FHAARM COc1ccc([C@@H](C(=O)[O-])N2CC=C(c3ccc(F)cc3)CC2)c(OC)c1 ZINC000095363399 570454451 /nfs/dbraw/zinc/45/44/51/570454451.db2.gz JJMMKNKYCNBMMK-FQEVSTJZSA-N -1 0 371.408 3.758 50 0 FHAARM COCc1ccc(C(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)s1 ZINC000095371643 570456868 /nfs/dbraw/zinc/45/68/68/570456868.db2.gz CPFLXXMZKCVIRK-OAHLLOKOSA-N -1 0 359.447 3.613 50 0 FHAARM O=S(=O)([N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccn1 ZINC000001038224 570474096 /nfs/dbraw/zinc/47/40/96/570474096.db2.gz IGSLMVVVOKGFCB-UHFFFAOYSA-N -1 0 370.274 3.920 50 0 FHAARM O=S(=O)([N-]c1cccnc1)c1ccc(Br)c2ccccc21 ZINC000001195890 570491641 /nfs/dbraw/zinc/49/16/41/570491641.db2.gz OMFUFNATQCNJLD-UHFFFAOYSA-N -1 0 363.236 3.798 50 0 FHAARM CCCCn1c(=O)c(C(=O)NCc2cccc(F)c2)c([O-])c2ccccc21 ZINC000100509972 570505083 /nfs/dbraw/zinc/50/50/83/570505083.db2.gz SKZNUAOTGOJJAO-UHFFFAOYSA-N -1 0 368.408 3.576 50 0 FHAARM COc1cc(C([O-])=CC(=O)CCC(=O)Nc2cc(C)ccc2C)ccc1O ZINC000100721483 570506772 /nfs/dbraw/zinc/50/67/72/570506772.db2.gz AFGKZUDJTWIRCX-UHFFFAOYSA-N -1 0 369.417 3.578 50 0 FHAARM O=C([O-])C1=Nc2nc(-c3ccccc3)nn2[C@H](c2cccc(Cl)c2)C1 ZINC000100247784 570547653 /nfs/dbraw/zinc/54/76/53/570547653.db2.gz DPDXRYQDAQYMHU-HNNXBMFYSA-N -1 0 352.781 3.582 50 0 FHAARM CCCCCn1c(=O)c(C(=O)Nc2nccs2)c([O-])c2ccccc21 ZINC000100331692 570553571 /nfs/dbraw/zinc/55/35/71/570553571.db2.gz RTKIHXNWFKTPMQ-UHFFFAOYSA-N -1 0 357.435 3.606 50 0 FHAARM COc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C)cc3)nc2)c1 ZINC000034840391 570557070 /nfs/dbraw/zinc/55/70/70/570557070.db2.gz MUVAXKIGHYCSDN-UHFFFAOYSA-N -1 0 370.430 3.992 50 0 FHAARM O=C([O-])c1cccc(CC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1 ZINC000262833696 570632419 /nfs/dbraw/zinc/63/24/19/570632419.db2.gz QPSWHYPOBDAUGD-UHFFFAOYSA-N -1 0 373.836 3.651 50 0 FHAARM CC[C@@H]1CCc2c(C#N)c(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])sc2C1 ZINC000005431190 570655912 /nfs/dbraw/zinc/65/59/12/570655912.db2.gz QAGUHPZMIFAYBW-KWCYVHTRSA-N -1 0 360.479 3.964 50 0 FHAARM O=C([O-])c1ccccc1C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000012291821 570732245 /nfs/dbraw/zinc/73/22/45/570732245.db2.gz UCFSBMQEPIWERG-UHFFFAOYSA-N -1 0 366.417 3.700 50 0 FHAARM O=C1[N-]C(=O)/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)N1 ZINC000012428588 570743760 /nfs/dbraw/zinc/74/37/60/570743760.db2.gz JETUHLPEYPCRSX-WDZFZDKYSA-N -1 0 367.586 3.543 50 0 FHAARM Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)CCCC(=O)[O-] ZINC000032610120 570753515 /nfs/dbraw/zinc/75/35/15/570753515.db2.gz AITPGTBZXAGHME-UHFFFAOYSA-N -1 0 367.808 3.534 50 0 FHAARM CC(C)C[C@H](NC(=O)CSc1nc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000012793190 570762180 /nfs/dbraw/zinc/76/21/80/570762180.db2.gz IXQNUQBHZPYMLC-NSHDSACASA-N -1 0 372.899 3.657 50 0 FHAARM O=C([O-])Cc1csc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 ZINC000012941103 570767943 /nfs/dbraw/zinc/76/79/43/570767943.db2.gz XQXBNQHDVYPCJK-UHFFFAOYSA-N -1 0 364.854 3.874 50 0 FHAARM C[C@@H]1Cc2cccc3c2n1c(=O)c(C(=O)Nc1ccccc1Cl)c3[O-] ZINC000200459309 570771846 /nfs/dbraw/zinc/77/18/46/570771846.db2.gz IBMOFHCFLKUYPO-SNVBAGLBSA-N -1 0 354.793 3.730 50 0 FHAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000013187002 570775172 /nfs/dbraw/zinc/77/51/72/570775172.db2.gz XSDUNGBHGPGCES-OAHLLOKOSA-N -1 0 367.323 3.660 50 0 FHAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)cc2C)c1C ZINC000005133969 570775465 /nfs/dbraw/zinc/77/54/65/570775465.db2.gz LGXMUCZJIIRBSI-UHFFFAOYSA-N -1 0 353.827 3.764 50 0 FHAARM S=C1[N-][C@]2(CCS1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000013635983 570781274 /nfs/dbraw/zinc/78/12/74/570781274.db2.gz LZYZYGLFWUPFCS-LPHOPBHVSA-N -1 0 367.499 3.895 50 0 FHAARM Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1F ZINC000101260350 570817814 /nfs/dbraw/zinc/81/78/14/570817814.db2.gz RWZNEVVUQCHAAZ-JKSUJKDBSA-N -1 0 372.787 3.594 50 0 FHAARM Cc1csc(-n2[n-]c(C)c(CCC(=O)Nc3ccccc3C)c2=O)n1 ZINC000101832785 570824604 /nfs/dbraw/zinc/82/46/04/570824604.db2.gz RGYNFNLCIXOYKW-UHFFFAOYSA-N -1 0 356.451 3.531 50 0 FHAARM CCc1ccc(NC(=O)CCc2c(C)[n-]n(-c3ccc(F)cc3)c2=O)cc1 ZINC000016206050 570852476 /nfs/dbraw/zinc/85/24/76/570852476.db2.gz ANZREPIQGFHSHT-UHFFFAOYSA-N -1 0 367.424 3.747 50 0 FHAARM C[C@@H]1CCc2c(sc3[n-]c(=S)n(CCCn4ccnc4)c(=O)c23)C1 ZINC000017074316 570867008 /nfs/dbraw/zinc/86/70/08/570867008.db2.gz ACVNTANJFBPFPK-LLVKDONJSA-N -1 0 360.508 3.532 50 0 FHAARM O=C([O-])CCCC(=O)Nc1sccc1C(=O)Nc1ccc(Cl)cc1 ZINC000017075359 570867468 /nfs/dbraw/zinc/86/74/68/570867468.db2.gz MIYHLMPKSQLXGV-UHFFFAOYSA-N -1 0 366.826 3.847 50 0 FHAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000017075225 570867492 /nfs/dbraw/zinc/86/74/92/570867492.db2.gz GWLBDEXJQIOVGY-HOTGVXAUSA-N -1 0 366.417 3.768 50 0 FHAARM CCn1ncc(Cn2c(=O)c3c4c(sc3[n-]c2=S)CCCCC4)c1C ZINC000017076691 570868273 /nfs/dbraw/zinc/86/82/73/570868273.db2.gz BJOKBZJBIAEVOP-UHFFFAOYSA-N -1 0 374.535 3.963 50 0 FHAARM CCn1c(=O)c2ccc(C(=O)Nc3ccc(SC)cc3)cc2[n-]c1=S ZINC000012039882 570888497 /nfs/dbraw/zinc/88/84/97/570888497.db2.gz UXQSHJOQXSMQRS-UHFFFAOYSA-N -1 0 371.487 3.679 50 0 FHAARM Cc1ccccc1-n1c(=S)[n-]c(=O)c2c1NCN(Cc1ccccc1)C2 ZINC000020567430 570919578 /nfs/dbraw/zinc/91/95/78/570919578.db2.gz XDQLHGACKCNLRG-UHFFFAOYSA-N -1 0 364.474 3.589 50 0 FHAARM Cc1[nH]c2c(cccc2C(=O)NC[C@H](Cc2cccc(C)c2)C(=O)[O-])c1C ZINC000225461444 571037380 /nfs/dbraw/zinc/03/73/80/571037380.db2.gz SJPTWXJEXCMNPI-KRWDZBQOSA-N -1 0 364.445 3.766 50 0 FHAARM O=C([O-])[C@@H]1CCCN(C(=O)Cn2c(-c3ccccc3)cc3ccccc32)C1 ZINC000032090399 571056355 /nfs/dbraw/zinc/05/63/55/571056355.db2.gz OUJAOQJXCGQGOM-GOSISDBHSA-N -1 0 362.429 3.632 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2noc(-c3ccccc3Cl)n2)c(F)c1 ZINC000225694892 571056631 /nfs/dbraw/zinc/05/66/31/571056631.db2.gz FHODUOQLWYSQSV-UHFFFAOYSA-N -1 0 367.789 3.638 50 0 FHAARM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1Cl ZINC000032601675 571058598 /nfs/dbraw/zinc/05/85/98/571058598.db2.gz PZLKNWTZRUVXIL-UHFFFAOYSA-N -1 0 360.218 3.801 50 0 FHAARM O=C([O-])c1nsc2c1NC(=O)C[C@@H]2c1ccc(Br)cc1F ZINC000071285813 571063776 /nfs/dbraw/zinc/06/37/76/571063776.db2.gz UKMMYBRPJCJVLQ-SSDOTTSWSA-N -1 0 371.187 3.867 50 0 FHAARM O=C([O-])c1ccc(Cl)nc1NN=Cc1c(F)c(F)c(F)c(F)c1F ZINC000004947408 571072417 /nfs/dbraw/zinc/07/24/17/571072417.db2.gz NMUKJXRTJVVXPW-BIMFAAKUSA-N -1 0 365.645 3.575 50 0 FHAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000012765582 571084342 /nfs/dbraw/zinc/08/43/42/571084342.db2.gz AFOCEVFXEXJKPX-UHFFFAOYSA-N -1 0 355.463 3.554 50 0 FHAARM C[C@H](C(=O)[O-])C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000685939973 571099090 /nfs/dbraw/zinc/09/90/90/571099090.db2.gz OSUNOLNZLUSNAD-CYBMUJFWSA-N -1 0 351.402 3.778 50 0 FHAARM O=C([O-])[C@@H](CC(=O)Nc1ccccc1)Cc1ccc(Br)cc1 ZINC000035142354 571119738 /nfs/dbraw/zinc/11/97/38/571119738.db2.gz YMSPKLWTBCEEGU-CYBMUJFWSA-N -1 0 362.223 3.721 50 0 FHAARM O=C([O-])C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000263154511 571125172 /nfs/dbraw/zinc/12/51/72/571125172.db2.gz MSQYJRDBFZFVLN-ULQDDVLXSA-N -1 0 361.800 3.915 50 0 FHAARM Cc1ccccc1OCc1nnc(S[C@@H](C)C(=O)[O-])n1-c1ccccc1 ZINC000000916864 571130309 /nfs/dbraw/zinc/13/03/09/571130309.db2.gz DPJFMIDGPZKKKM-AWEZNQCLSA-N -1 0 369.446 3.720 50 0 FHAARM CN(Cc1c(F)cccc1Cl)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000012879743 571137809 /nfs/dbraw/zinc/13/78/09/571137809.db2.gz UXZLPASVXQFXIA-UHFFFAOYSA-N -1 0 359.788 3.643 50 0 FHAARM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1 ZINC000145921363 571144510 /nfs/dbraw/zinc/14/45/10/571144510.db2.gz TXLUWFPQLXODBP-IBGZPJMESA-N -1 0 351.402 3.778 50 0 FHAARM Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(C(F)(F)F)c1C(=O)[O-] ZINC000068575272 571153385 /nfs/dbraw/zinc/15/33/85/571153385.db2.gz WZIXWCFGCYJKKD-UHFFFAOYSA-N -1 0 373.640 3.965 50 0 FHAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1nc2ccccc2s1 ZINC000072414468 571159265 /nfs/dbraw/zinc/15/92/65/571159265.db2.gz CZWUWRLSUOAERL-UHFFFAOYSA-N -1 0 354.840 3.759 50 0 FHAARM C[C@@]1(C(=O)[O-])CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000070051636 571174399 /nfs/dbraw/zinc/17/43/99/571174399.db2.gz VOQFOIAFEGUNRZ-NRFANRHFSA-N -1 0 351.402 3.875 50 0 FHAARM O=C([O-])c1cc(-c2cc(NCc3ccccn3)nc3[nH]ccc32)cs1 ZINC000072152697 571174633 /nfs/dbraw/zinc/17/46/33/571174633.db2.gz QTHQKPPLDVXTSB-UHFFFAOYSA-N -1 0 350.403 3.997 50 0 FHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2cc(C)no2)sc1C ZINC000075435343 571178820 /nfs/dbraw/zinc/17/88/20/571178820.db2.gz JAJFQYYBBZYXFI-UHFFFAOYSA-N -1 0 364.448 3.829 50 0 FHAARM Cc1oc(-c2cc[nH]n2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000075518836 571193375 /nfs/dbraw/zinc/19/33/75/571193375.db2.gz ZQVDUQNVICYSPP-UHFFFAOYSA-N -1 0 351.815 3.741 50 0 FHAARM CC[C@@H](C)Cn1c(C)c2c(cc1=O)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000049623491 571193690 /nfs/dbraw/zinc/19/36/90/571193690.db2.gz HXDDSWIKIJQYAP-LLVKDONJSA-O -1 0 369.470 3.688 50 0 FHAARM O=C([O-])c1cnn(-c2ncc3c(n2)-c2ccccc2SC3)c1C1CC1 ZINC000299776024 571196718 /nfs/dbraw/zinc/19/67/18/571196718.db2.gz NDJXWLPZEWYVNM-UHFFFAOYSA-N -1 0 350.403 3.511 50 0 FHAARM Cn1cc(C(=O)N2CC[C@@H](Cc3ccc(C(=O)[O-])cc3)C2)c2ccccc21 ZINC000072447723 571197081 /nfs/dbraw/zinc/19/70/81/571197081.db2.gz HXUQOSKCLMFZAA-INIZCTEOSA-N -1 0 362.429 3.581 50 0 FHAARM CCn1c2ccsc2c([O-])c(C(=O)Nc2ccc(F)cc2Cl)c1=O ZINC000065215416 571256741 /nfs/dbraw/zinc/25/67/41/571256741.db2.gz RVUGKRQYGQUDIY-UHFFFAOYSA-N -1 0 366.801 3.833 50 0 FHAARM COc1ccc(-c2cc(C(=O)NCCCC(=O)[O-])c3ccccc3n2)cc1 ZINC000071284087 571269849 /nfs/dbraw/zinc/26/98/49/571269849.db2.gz HTAXFXGHFUTIFT-UHFFFAOYSA-N -1 0 364.401 3.505 50 0 FHAARM CC(C)n1cc(Br)cc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000236687058 571277121 /nfs/dbraw/zinc/27/71/21/571277121.db2.gz WVYWEKBIVLETJV-LBPRGKRZSA-N -1 0 371.275 3.549 50 0 FHAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000393033414 571277498 /nfs/dbraw/zinc/27/74/98/571277498.db2.gz DQRUYKHSKPAWJJ-CQDKDKBSSA-N -1 0 361.829 3.608 50 0 FHAARM Cc1c(C(=O)Nc2ccc(C(=O)[O-])cc2C)cnn1-c1ccccc1F ZINC000095349600 571328835 /nfs/dbraw/zinc/32/88/35/571328835.db2.gz CDVRZVWXINJATC-UHFFFAOYSA-N -1 0 353.353 3.579 50 0 FHAARM Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000095406706 571329320 /nfs/dbraw/zinc/32/93/20/571329320.db2.gz UGXAIWUUWYLEHT-INIZCTEOSA-N -1 0 357.360 3.534 50 0 FHAARM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)c1ccc(Cl)c(F)c1 ZINC000095464062 571330339 /nfs/dbraw/zinc/33/03/39/571330339.db2.gz HHLYIOPEBALTDZ-GYSYKLTISA-N -1 0 351.761 3.508 50 0 FHAARM O=C([O-])C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccco1)c1ccc(Cl)c(F)c1 ZINC000095464061 571330348 /nfs/dbraw/zinc/33/03/48/571330348.db2.gz HHLYIOPEBALTDZ-MJVIPROJSA-N -1 0 351.761 3.508 50 0 FHAARM CCOc1cc(/C=C\c2nc(C(=O)[O-])cs2)cc(Br)c1O ZINC000096315687 571335274 /nfs/dbraw/zinc/33/52/74/571335274.db2.gz RIZKXEBDXKZKLG-ARJAWSKDSA-N -1 0 370.224 3.879 50 0 FHAARM O=c1c2ccc(Cl)c(F)c2[n-]cc1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000021657601 571335411 /nfs/dbraw/zinc/33/54/11/571335411.db2.gz KZPACMSSTZCLKD-UHFFFAOYSA-N -1 0 373.739 3.844 50 0 FHAARM O=S(=O)([N-]c1ccc(F)cc1)c1cc(-c2noc(C3CC3)n2)cs1 ZINC000021702219 571335579 /nfs/dbraw/zinc/33/55/79/571335579.db2.gz RAACGCBKPWKSNG-UHFFFAOYSA-N -1 0 365.411 3.615 50 0 FHAARM Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(C(=O)[O-])c1 ZINC000058357655 571350885 /nfs/dbraw/zinc/35/08/85/571350885.db2.gz PMFIXKOHMPPZIQ-UHFFFAOYSA-N -1 0 359.325 3.513 50 0 FHAARM Cc1cc2nc(SCC(=O)Nc3cccc(C(=O)[O-])c3)[nH]c2cc1C ZINC000032196243 571356546 /nfs/dbraw/zinc/35/65/46/571356546.db2.gz XJGXXVJFLORXAM-UHFFFAOYSA-N -1 0 355.419 3.609 50 0 FHAARM Cc1ccc(OC2CCN(C(=O)CCc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000263526520 600251615 /nfs/dbraw/zinc/25/16/15/600251615.db2.gz KDANWAHOHLNNLH-UHFFFAOYSA-N -1 0 367.445 3.696 50 0 FHAARM Cc1ccc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c(Cl)c1 ZINC000096747781 601317929 /nfs/dbraw/zinc/31/79/29/601317929.db2.gz ZSFGPDPMHQVMTP-UITAMQMPSA-N -1 0 351.811 3.547 50 0 FHAARM O=c1[n-]c(C(F)(F)F)nc2c3cc(-c4cccs4)sc3[nH]c(=O)c12 ZINC000101419552 932344214 /nfs/dbraw/zinc/34/42/14/932344214.db2.gz DCUFBWDFWSDKDR-UHFFFAOYSA-N -1 0 369.349 3.986 50 0 FHAARM COc1cc(/C=C/c2ccc3cc(C(=O)[O-])ccc3n2)cc(OC)c1O ZINC000095972658 939197485 /nfs/dbraw/zinc/19/74/85/939197485.db2.gz FDYWBIILSXGDHV-ZZXKWVIFSA-N -1 0 351.358 3.826 50 0 FHAARM CCc1ccccc1S(=O)(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000187337640 941091839 /nfs/dbraw/zinc/09/18/39/941091839.db2.gz BNCYKKOEVBXYAI-KRWDZBQOSA-N -1 0 371.462 3.778 50 0 FHAARM CCOc1ccc(N=Nc2c(C)[n-]n(-c3ccc(Cl)cc3)c2=O)cc1 ZINC000254833342 947664041 /nfs/dbraw/zinc/66/40/41/947664041.db2.gz BOZMTLAVRJOVCH-UHFFFAOYSA-N -1 0 356.813 3.929 50 0 FHAARM Nc1c(Cl)cc(NC(=O)c2ccccc2C(=O)[O-])cc1Br ZINC000000910465 203962525 /nfs/dbraw/zinc/96/25/25/203962525.db2.gz IQQFDQYQMPQFBD-UHFFFAOYSA-N -1 0 369.602 3.635 50 0 FHAARM Cn1nc(C(F)(F)F)c(C(=O)[O-])c1Oc1cccc(C(F)(F)F)c1 ZINC000002388287 204036780 /nfs/dbraw/zinc/03/67/80/204036780.db2.gz VGTGQSZJFZSRTL-UHFFFAOYSA-N -1 0 354.206 3.948 50 0 FHAARM CCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccs1 ZINC000002421711 204038435 /nfs/dbraw/zinc/03/84/35/204038435.db2.gz WYUVEYGNMZWUQA-UHFFFAOYSA-N -1 0 362.480 3.704 50 0 FHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000002464727 204040580 /nfs/dbraw/zinc/04/05/80/204040580.db2.gz MFLPTNSPWVMAAU-UHFFFAOYSA-N -1 0 362.270 3.628 50 0 FHAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2Cl)ccc1Cl ZINC000003261573 204086283 /nfs/dbraw/zinc/08/62/83/204086283.db2.gz YMDUUKZZWTYKAP-UHFFFAOYSA-N -1 0 364.181 3.632 50 0 FHAARM O=C([O-])CCCCCCC(=O)c1ccccc1I ZINC000002579882 204044663 /nfs/dbraw/zinc/04/46/63/204044663.db2.gz LSHDCMSLUHNBHF-UHFFFAOYSA-N -1 0 360.191 3.899 50 0 FHAARM CC[C@@]1(C)C[C@](CCNC(=O)CCC(=O)[O-])(c2ccc(C)cc2)CCO1 ZINC000004028940 204118046 /nfs/dbraw/zinc/11/80/46/204118046.db2.gz JBKSUNPCAFGEPO-LEWJYISDSA-N -1 0 361.482 3.583 50 0 biogenic FHAARM CC(=O)Nc1nc(C)c(-c2csc(Nc3cccc(C(=O)[O-])c3)n2)s1 ZINC000004162278 204125206 /nfs/dbraw/zinc/12/52/06/204125206.db2.gz AYSRHUJFCKXTHN-UHFFFAOYSA-N -1 0 374.447 3.975 50 0 FHAARM COc1ccccc1NC(=O)Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-] ZINC000004563860 204146602 /nfs/dbraw/zinc/14/66/02/204146602.db2.gz JLDSBZQCYROEBU-UHFFFAOYSA-N -1 0 358.781 3.709 50 0 FHAARM CC(=O)c1c([O-])c2c(cc(-c3ccccc3)n(-c3ccccc3)c2=O)oc1=O ZINC000005408083 204207309 /nfs/dbraw/zinc/20/73/09/204207309.db2.gz JLHZWVQAKGZCHW-UHFFFAOYSA-N -1 0 373.364 3.519 50 0 FHAARM O=c1oc2ccccc2c([O-])c1Cc1cc(Cl)c2cccnc2c1O ZINC000005448794 204210070 /nfs/dbraw/zinc/21/00/70/204210070.db2.gz UQBQPUZGMONRLE-UHFFFAOYSA-N -1 0 353.761 3.997 50 0 FHAARM CCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000005017238 204185279 /nfs/dbraw/zinc/18/52/79/204185279.db2.gz UZEIOKASILYBCW-UHFFFAOYSA-N -1 0 370.478 3.869 50 0 FHAARM COc1cccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3cccs3)C2)c1 ZINC000005069617 204190837 /nfs/dbraw/zinc/19/08/37/204190837.db2.gz MXVLEXQTLBBJGN-INIZCTEOSA-N -1 0 372.446 3.689 50 0 FHAARM CN1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C1=O ZINC000005102350 204191805 /nfs/dbraw/zinc/19/18/05/204191805.db2.gz ZGDQTXUCHPZHMB-MHWRWJLKSA-N -1 0 369.398 3.630 50 0 FHAARM O=C(NCc1n[n-]c(=S)n1-c1cccc(Cl)c1)c1cccc(F)c1 ZINC000005128722 204193565 /nfs/dbraw/zinc/19/35/65/204193565.db2.gz KYNXCSPDBXRGNM-UHFFFAOYSA-N -1 0 362.817 3.652 50 0 FHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000005121377 204193594 /nfs/dbraw/zinc/19/35/94/204193594.db2.gz UDADAKVQGDRFOA-UHFFFAOYSA-N -1 0 374.231 3.788 50 0 FHAARM S=c1[n-]nc(Cc2c[nH]c3ccccc23)n1-c1ccc2c(c1)OCCO2 ZINC000005804686 204225325 /nfs/dbraw/zinc/22/53/25/204225325.db2.gz RAKHTPBSMWEHEI-UHFFFAOYSA-N -1 0 364.430 3.773 50 0 FHAARM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000005927413 204231515 /nfs/dbraw/zinc/23/15/15/204231515.db2.gz JWRIERQDJSGTAO-UHFFFAOYSA-N -1 0 374.245 3.971 50 0 FHAARM COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)[O-])cc1OC ZINC000005996130 204233413 /nfs/dbraw/zinc/23/34/13/204233413.db2.gz FOGGGTGHKJQXFI-LUAWRHEFSA-N -1 0 350.374 3.654 50 0 FHAARM O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1cccc(F)c1 ZINC000006251167 204241649 /nfs/dbraw/zinc/24/16/49/204241649.db2.gz PVYGIQNNKGNVLO-UHFFFAOYSA-N -1 0 359.209 3.965 50 0 FHAARM COc1ccc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)cn1 ZINC000006482591 204249500 /nfs/dbraw/zinc/24/95/00/204249500.db2.gz 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/nfs/dbraw/zinc/12/52/64/205125264.db2.gz IPNRSEXYAZRXGD-GVOSGWPFSA-N -1 0 355.356 3.569 50 0 FHAARM O=C(N[C@@H]1CCCc2ccccc21)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000048342677 205159348 /nfs/dbraw/zinc/15/93/48/205159348.db2.gz NAVZQEWPDRAPID-OAHLLOKOSA-N -1 0 351.431 3.805 50 0 FHAARM CC[C@H](CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1ccccc1 ZINC000047932559 205150552 /nfs/dbraw/zinc/15/05/52/205150552.db2.gz KRLXRXDWHWLDHP-GFCCVEGCSA-N -1 0 353.447 3.922 50 0 FHAARM Cn1ncc2c1NC(=O)C[C@@H]2c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000049548068 205172579 /nfs/dbraw/zinc/17/25/79/205172579.db2.gz ZARDZPYPQRCEAV-JTQLQIEISA-N -1 0 371.780 3.506 50 0 FHAARM COc1ccc(-c2nc(C)c(C(=O)NCCCCCC(=O)[O-])s2)cc1 ZINC000049547769 205173365 /nfs/dbraw/zinc/17/33/65/205173365.db2.gz WZWFLTSTKWXIJZ-UHFFFAOYSA-N -1 0 362.451 3.502 50 0 FHAARM CCCC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000054500411 205200489 /nfs/dbraw/zinc/20/04/89/205200489.db2.gz KMLXRJBJPMGLHP-STQMWFEESA-N -1 0 364.829 3.684 50 0 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/nfs/dbraw/zinc/32/88/28/205328828.db2.gz AOUIKAYUOKYSMT-UHFFFAOYSA-N -1 0 361.423 3.816 50 0 FHAARM O=S(=O)([N-]c1ccccc1)c1ccc(-c2nnc(C3CCC3)o2)s1 ZINC000064920640 205309315 /nfs/dbraw/zinc/30/93/15/205309315.db2.gz MPJKGGZDKMOXSG-UHFFFAOYSA-N -1 0 361.448 3.866 50 0 FHAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)o2)on1 ZINC000064958485 205310372 /nfs/dbraw/zinc/31/03/72/205310372.db2.gz YXPKZJDTGOIGJH-UHFFFAOYSA-N -1 0 356.762 3.836 50 0 FHAARM COc1cc(-c2ccno2)ccc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000064979556 205313333 /nfs/dbraw/zinc/31/33/33/205313333.db2.gz UMRRUXFELJGCAU-UHFFFAOYSA-N -1 0 358.419 3.768 50 0 FHAARM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3F)s2)o1 ZINC000065003783 205313632 /nfs/dbraw/zinc/31/36/32/205313632.db2.gz FOMVVTKQQYEBSK-UHFFFAOYSA-N -1 0 356.375 3.791 50 0 FHAARM CCn1nccc1-c1csc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c1 ZINC000065112429 205317638 /nfs/dbraw/zinc/31/76/38/205317638.db2.gz OMOVEDRKKHTJSF-UHFFFAOYSA-N -1 0 365.455 3.880 50 0 FHAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(-c2nnc(C3CC3)o2)cs1 ZINC000065098707 205318324 /nfs/dbraw/zinc/31/83/24/205318324.db2.gz HWADUZUGCNVZBH-UHFFFAOYSA-N -1 0 361.448 3.785 50 0 FHAARM CCc1cccc([N-]S(=O)(=O)c2c(C(C)C)nc3sc(C)nn32)c1 ZINC000065183932 205321305 /nfs/dbraw/zinc/32/13/05/205321305.db2.gz RMJQQZIXRVAFHJ-UHFFFAOYSA-N -1 0 364.496 3.586 50 0 FHAARM Cc1cn2c(nc(C(C)C)c2S(=O)(=O)[N-]c2cccc(F)c2)s1 ZINC000065183502 205322166 /nfs/dbraw/zinc/32/21/66/205322166.db2.gz BCPRFALKFDUOKX-UHFFFAOYSA-N -1 0 353.444 3.768 50 0 FHAARM CC(C)O[C@@H](C)c1nnc(SCC(=O)[O-])n1-c1ccccc1Cl ZINC000065494162 205354881 /nfs/dbraw/zinc/35/48/81/205354881.db2.gz IZZIAIKLBWHYFD-JTQLQIEISA-N -1 0 355.847 3.583 50 0 FHAARM Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2c(C)n[nH]c2C)sc1-c1ccccc1 ZINC000067643494 205377480 /nfs/dbraw/zinc/37/74/80/205377480.db2.gz LUERACAFESLIFR-MRXNPFEDSA-N -1 0 369.446 3.619 50 0 FHAARM CCc1c[nH]nc1[C@H]1CCCN(c2cc(C(=O)[O-])c3ccccc3n2)C1 ZINC000067820113 205394003 /nfs/dbraw/zinc/39/40/03/205394003.db2.gz JXQDLEJESVHLHC-AWEZNQCLSA-N -1 0 350.422 3.603 50 0 FHAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3C)s2)on1 ZINC000015731248 220162937 /nfs/dbraw/zinc/16/29/37/220162937.db2.gz OAIXVIZYMKJRAZ-UHFFFAOYSA-N -1 0 352.412 3.960 50 0 FHAARM O=C([O-])Cc1cccc(-c2cc(NCc3ccccn3)nc3[nH]ccc32)c1 ZINC000072447555 205552645 /nfs/dbraw/zinc/55/26/45/205552645.db2.gz AKUWOABIHVEZIL-UHFFFAOYSA-N -1 0 358.401 3.864 50 0 FHAARM O=C([O-])CCc1ccc(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)cc1 ZINC000095425538 205755366 /nfs/dbraw/zinc/75/53/66/205755366.db2.gz MVPFNSWFPRXJEO-UHFFFAOYSA-N -1 0 368.364 3.679 50 0 FHAARM C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000095508898 205775623 /nfs/dbraw/zinc/77/56/23/205775623.db2.gz JDQCLXNTFMNGDC-GFCCVEGCSA-N -1 0 355.415 3.683 50 0 FHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)CCc2ccc(OC(F)(F)F)cc2)C1 ZINC000095992036 205801699 /nfs/dbraw/zinc/80/16/99/205801699.db2.gz QVPWMPZWQKNXHU-AWEZNQCLSA-N -1 0 373.371 3.621 50 0 FHAARM 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ZINC000238011250 206110953 /nfs/dbraw/zinc/11/09/53/206110953.db2.gz DAFAPVKGSICKAV-GFCCVEGCSA-N -1 0 364.492 3.518 50 0 FHAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000136492781 206130046 /nfs/dbraw/zinc/13/00/46/206130046.db2.gz FYVJQCQCXAPWEX-GFCCVEGCSA-N -1 0 350.827 3.543 50 0 FHAARM COc1ccc(OC)c(Nc2nccc(Nc3ccc(C(=O)[O-])cc3)n2)c1 ZINC000170621815 206131554 /nfs/dbraw/zinc/13/15/54/206131554.db2.gz ZCSXANNAZWGTLY-UHFFFAOYSA-N -1 0 366.377 3.679 50 0 FHAARM Cc1cc2c(cc1C)C(=O)C[C@H](c1cc(C(=O)[O-])cc3c1OCOC3)O2 ZINC000001504466 206151830 /nfs/dbraw/zinc/15/18/30/206151830.db2.gz HJDXVADNJHAYEA-GOSISDBHSA-N -1 0 354.358 3.575 50 0 biogenic FHAARM CCOC(=O)c1c(C)[nH]cc1[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000005510515 206195423 /nfs/dbraw/zinc/19/54/23/206195423.db2.gz RGLBDLRXWZXPLP-ZDUSSCGKSA-N -1 0 363.797 3.594 50 0 FHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Br)cc1Cl ZINC000000642689 206223304 /nfs/dbraw/zinc/22/33/04/206223304.db2.gz BFVZMTUMIFRQSE-VHSXEESVSA-N -1 0 358.619 3.708 50 0 FHAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Nc1cccc(Cl)c1Cl ZINC000002333606 206228978 /nfs/dbraw/zinc/22/89/78/206228978.db2.gz PLASBCKFEUBJSM-ZDUSSCGKSA-N -1 0 353.205 3.811 50 0 FHAARM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)nc3)c2)cs1 ZINC000006582360 206243469 /nfs/dbraw/zinc/24/34/69/206243469.db2.gz FAIGUJFXMMQCAY-UHFFFAOYSA-N -1 0 365.867 3.968 50 0 FHAARM COc1ccc(CNc2ccc(Br)cc2C(=O)[O-])c(OC)c1 ZINC000005090723 206239106 /nfs/dbraw/zinc/23/91/06/206239106.db2.gz QHLLRSTWTGZPIA-UHFFFAOYSA-N -1 0 366.211 3.777 50 0 FHAARM CC(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000005884158 206241117 /nfs/dbraw/zinc/24/11/17/206241117.db2.gz SCEVMMVACQGSET-UHFFFAOYSA-N -1 0 368.252 3.761 50 0 FHAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000007053200 206242934 /nfs/dbraw/zinc/24/29/34/206242934.db2.gz UTUYTMAYPARWCC-UHFFFAOYSA-N -1 0 370.268 3.875 50 0 FHAARM O=C([O-])c1cc(CSc2nnc(-c3ccccc3)o2)c2c(c1)COCO2 ZINC000011945236 206286647 /nfs/dbraw/zinc/28/66/47/206286647.db2.gz YSCSBODWMKBHPF-UHFFFAOYSA-N -1 0 370.386 3.594 50 0 FHAARM O=S1(=O)[N-]C(SCc2ccc(F)cc2)=Nc2ccc(Cl)cc21 ZINC000012361108 206289746 /nfs/dbraw/zinc/28/97/46/206289746.db2.gz SCZGULNKBGCPIE-UHFFFAOYSA-N -1 0 356.831 3.883 50 0 FHAARM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000014097328 206309367 /nfs/dbraw/zinc/30/93/67/206309367.db2.gz RGHOECFQPQWASI-UHFFFAOYSA-N -1 0 360.218 3.801 50 0 FHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000018707135 206324869 /nfs/dbraw/zinc/32/48/69/206324869.db2.gz CBAVXNRZNQSVCT-UHFFFAOYSA-N -1 0 356.241 3.567 50 0 FHAARM C[C@H](NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1)c1cc2ccccc2o1 ZINC000191700573 206327008 /nfs/dbraw/zinc/32/70/08/206327008.db2.gz UPXDACYCTJXNAJ-AWEZNQCLSA-N -1 0 363.413 3.870 50 0 FHAARM O=C([O-])c1cc(S(=O)(=O)CCc2ccccc2)c(Cl)cc1Cl ZINC000002786186 206359434 /nfs/dbraw/zinc/35/94/34/206359434.db2.gz KHENKESAMYUTLW-UHFFFAOYSA-N -1 0 359.230 3.708 50 0 FHAARM O=S(=O)([N-]c1ccc(Br)c2cccnc12)c1cccs1 ZINC000028232904 206469519 /nfs/dbraw/zinc/46/95/19/206469519.db2.gz UOVCVKPHPHBKEG-UHFFFAOYSA-N -1 0 369.265 3.860 50 0 FHAARM C[C@H]1Sc2ccccc2N(S(=O)(=O)c2cc(C(=O)[O-])cs2)[C@@H]1C ZINC000079105861 132192986 /nfs/dbraw/zinc/19/29/86/132192986.db2.gz KSJHSQKNFXNGPZ-NXEZZACHSA-N -1 0 369.489 3.524 50 0 FHAARM C[C@@H]1CN(c2ccccc2NC(=O)c2c([O-])cc(F)cc2F)C[C@H](C)O1 ZINC000095956702 132216149 /nfs/dbraw/zinc/21/61/49/132216149.db2.gz SXYLSPPRHSTDFS-TXEJJXNPSA-N -1 0 362.376 3.536 50 0 FHAARM O=C([O-])[C@@]1(Cc2cccc(Cl)c2)CCCN(c2ncnc3[nH]ccc32)C1 ZINC000071497881 136139412 /nfs/dbraw/zinc/13/94/12/136139412.db2.gz BQZUWYSPKAVLAG-LJQANCHMSA-N -1 0 370.840 3.525 50 0 FHAARM CSc1nccc(N2CCC[C@@](CCc3ccccc3)(C(=O)[O-])C2)n1 ZINC000071498107 136139427 /nfs/dbraw/zinc/13/94/27/136139427.db2.gz FAGHJWGDYYKUDJ-IBGZPJMESA-N -1 0 357.479 3.503 50 0 FHAARM O=C([O-])[C@]1(CCOc2ccccc2)CCCN(c2nccc3occc32)C1 ZINC000071750004 136140195 /nfs/dbraw/zinc/14/01/95/136140195.db2.gz GSJMQZYSTGBRND-NRFANRHFSA-N -1 0 366.417 3.968 50 0 FHAARM O=C([O-])[C@]1(CCOc2ccccc2)CCCN(c2ccc(Cl)cn2)C1 ZINC000071760011 136140427 /nfs/dbraw/zinc/14/04/27/136140427.db2.gz UFRIBLNOAOLJSJ-IBGZPJMESA-N -1 0 360.841 3.875 50 0 FHAARM Cc1c(NC(=S)NC(=O)c2cc3ccccc3o2)cccc1C(=O)[O-] ZINC000001159543 263143413 /nfs/dbraw/zinc/14/34/13/263143413.db2.gz GWHOFAGGZDASIY-UHFFFAOYSA-N -1 0 354.387 3.566 50 0 FHAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000020580394 523109731 /nfs/dbraw/zinc/10/97/31/523109731.db2.gz LXBLYRCWHPGIIB-UHFFFAOYSA-N -1 0 362.382 3.599 50 0 FHAARM COc1ccc([C@H]2[C@H](C(=O)[O-])CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000003888150 536947957 /nfs/dbraw/zinc/94/79/57/536947957.db2.gz KZRIPBOEXHKWGY-UZLBHIALSA-N -1 0 369.417 3.581 50 0 FHAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000000651644 570444318 /nfs/dbraw/zinc/44/43/18/570444318.db2.gz CRWFULPMNFQRIO-UHFFFAOYSA-N -1 0 362.270 3.710 50 0 FHAARM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc(Cl)s1 ZINC000000653855 570444538 /nfs/dbraw/zinc/44/45/38/570444538.db2.gz PNSPYZPKEMXOBG-UHFFFAOYSA-N -1 0 352.662 3.965 50 0 FHAARM CCC[C@]1(C(=O)[O-])CCCN(C(=O)c2c(C)c3cccc(C)c3n2C)C1 ZINC000092062316 570446377 /nfs/dbraw/zinc/44/63/77/570446377.db2.gz RYESTTRFQBWXIJ-NRFANRHFSA-N -1 0 356.466 3.902 50 0 FHAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)Cc3cc(F)ccc3F)C2)c1 ZINC000095357004 570453164 /nfs/dbraw/zinc/45/31/64/570453164.db2.gz BJBYCCIDWQSXOY-HNNXBMFYSA-N -1 0 359.372 3.612 50 0 FHAARM Cn1ccc2c1cccc2C(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095359391 570453849 /nfs/dbraw/zinc/45/38/49/570453849.db2.gz XVOAOSBKDSQVMJ-KRWDZBQOSA-N -1 0 362.429 3.896 50 0 FHAARM Cc1sc2ncnc(N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c2c1C ZINC000000784784 570456167 /nfs/dbraw/zinc/45/61/67/570456167.db2.gz JURAEFGBYDNZBT-HNNXBMFYSA-N -1 0 366.446 3.897 50 0 FHAARM COCc1ccc(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)s1 ZINC000095371642 570456822 /nfs/dbraw/zinc/45/68/22/570456822.db2.gz CPFLXXMZKCVIRK-HNNXBMFYSA-N -1 0 359.447 3.613 50 0 FHAARM O=C([O-])CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 ZINC000001101600 570480130 /nfs/dbraw/zinc/48/01/30/570480130.db2.gz MGCJYJWIBISCST-UHFFFAOYSA-N -1 0 372.471 3.503 50 0 FHAARM CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000001157986 570485358 /nfs/dbraw/zinc/48/53/58/570485358.db2.gz GSFXMKKBKJAEJS-UHFFFAOYSA-N -1 0 356.447 3.809 50 0 FHAARM O=c1c([C@H](O)c2ccccc2Cl)c(C(F)(F)F)[n-]n1-c1ccccc1 ZINC000100355042 570503085 /nfs/dbraw/zinc/50/30/85/570503085.db2.gz YILYRCMXIGMUIJ-UONOGXRCSA-N -1 0 368.742 3.955 50 0 FHAARM Cc1ccccc1NC(=O)c1c([O-])c2ccccc2n(CC(C)C)c1=O ZINC000100457973 570504290 /nfs/dbraw/zinc/50/42/90/570504290.db2.gz JGGBUSMIFNUJFH-UHFFFAOYSA-N -1 0 350.418 3.924 50 0 FHAARM CCCCCn1c2ccccc2c([O-])c(C(=O)NCc2ccccc2)c1=O ZINC000100512534 570505049 /nfs/dbraw/zinc/50/50/49/570505049.db2.gz HECVYJUYTNODEH-UHFFFAOYSA-N -1 0 364.445 3.827 50 0 FHAARM COc1c(C)cc([C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C(=O)[O-])cc1C ZINC000072233817 570535700 /nfs/dbraw/zinc/53/57/00/570535700.db2.gz LELVUHMHGRFSDU-JKSUJKDBSA-N -1 0 363.454 3.880 50 0 FHAARM O=c1nc(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)[n-]c2ccsc21 ZINC000050231536 570544318 /nfs/dbraw/zinc/54/43/18/570544318.db2.gz GDUNSTBBQSYHHR-OAHLLOKOSA-N -1 0 373.453 3.717 50 0 FHAARM O=C([O-])C1=Nc2nc(-c3ccccc3)nn2[C@@H](c2cccc(Cl)c2)C1 ZINC000100247786 570547672 /nfs/dbraw/zinc/54/76/72/570547672.db2.gz DPDXRYQDAQYMHU-OAHLLOKOSA-N -1 0 352.781 3.582 50 0 FHAARM Cc1ccccc1NC(=O)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O ZINC000100761816 570597997 /nfs/dbraw/zinc/59/79/97/570597997.db2.gz VXHPGUQIYCGQMA-UHFFFAOYSA-N -1 0 371.396 3.652 50 0 FHAARM CSc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1 ZINC000004703570 570601881 /nfs/dbraw/zinc/60/18/81/570601881.db2.gz GAYZTYGUNPHQRX-UHFFFAOYSA-N -1 0 358.463 3.555 50 0 FHAARM CCCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1C ZINC000011565947 570703554 /nfs/dbraw/zinc/70/35/54/570703554.db2.gz PYEVWZHTBYTQQI-UHFFFAOYSA-N -1 0 363.435 3.673 50 0 FHAARM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000011613850 570704077 /nfs/dbraw/zinc/70/40/77/570704077.db2.gz ZWUPGDXICQDNCO-UHFFFAOYSA-N -1 0 374.231 3.706 50 0 FHAARM CCCN(CCC)C(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000012403832 570742261 /nfs/dbraw/zinc/74/22/61/570742261.db2.gz JAECRSGGHKIPFZ-ROUUACIJSA-N -1 0 374.481 3.778 50 0 FHAARM Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])cc1 ZINC000013078352 570773471 /nfs/dbraw/zinc/77/34/71/570773471.db2.gz HQIBHVHULZHCAW-UHFFFAOYSA-N -1 0 359.325 3.513 50 0 FHAARM C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(=O)[O-])C(=O)N2CCC1=CCCCC1 ZINC000013567009 570779480 /nfs/dbraw/zinc/77/94/80/570779480.db2.gz ZVPCCAASSKLGPC-CDXJDZJCSA-N -1 0 355.434 3.702 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCC[C@@H](C)C2)cc1 ZINC000013674460 570783661 /nfs/dbraw/zinc/78/36/61/570783661.db2.gz PXKGTLGHPZAORU-MRXNPFEDSA-N -1 0 372.490 3.668 50 0 FHAARM Cc1cc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)cc(C)c1Cl ZINC000014632491 570821403 /nfs/dbraw/zinc/82/14/03/570821403.db2.gz PXTHGWWIUALZDX-KBPBESRZSA-N -1 0 369.845 3.798 50 0 FHAARM CCn1c(=O)c(-c2nc(-c3cccc(C)c3)no2)c([O-])c2ccc(F)cc21 ZINC000101724841 570822222 /nfs/dbraw/zinc/82/22/22/570822222.db2.gz ROEYSTCETVJZOO-UHFFFAOYSA-N -1 0 365.364 3.892 50 0 FHAARM Cc1ccc(NCc2nn3c([n-]2)nc(C)c(Cc2ccccc2)c3=O)c(C)c1 ZINC000101802781 570824110 /nfs/dbraw/zinc/82/41/10/570824110.db2.gz JVXOAVWHCWUCTO-UHFFFAOYSA-N -1 0 373.460 3.546 50 0 FHAARM CCn1c(=O)c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2[n-]c1=S ZINC000102343333 570830973 /nfs/dbraw/zinc/83/09/73/570830973.db2.gz AZFGMDLGPYDOMB-UHFFFAOYSA-N -1 0 353.447 3.574 50 0 FHAARM O=C(c1cnn(-c2cccc(Br)c2)c1)c1cc(F)ccc1[O-] ZINC000015462897 570839122 /nfs/dbraw/zinc/83/91/22/570839122.db2.gz PTQOEHKPEDLYCN-UHFFFAOYSA-N -1 0 361.170 3.711 50 0 FHAARM COC(=O)c1cc(=O)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)[n-]1 ZINC000015924186 570847947 /nfs/dbraw/zinc/84/79/47/570847947.db2.gz DSBABJYPZJJBGD-UHFFFAOYSA-N -1 0 355.099 3.690 50 0 FHAARM Cc1sc(NC(=O)CCCC(=O)[O-])c(C(=O)NC2CCCCC2)c1C ZINC000017075280 570867482 /nfs/dbraw/zinc/86/74/82/570867482.db2.gz CABHGRFPYRFHGJ-UHFFFAOYSA-N -1 0 366.483 3.621 50 0 FHAARM CCCc1ccc(S(=O)(=O)[N-]C(=O)CCCc2ccc(C)cc2)cc1 ZINC000071946871 570877936 /nfs/dbraw/zinc/87/79/36/570877936.db2.gz ILMCYWKHHKHCGA-UHFFFAOYSA-N -1 0 359.491 3.775 50 0 FHAARM CCC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(C)s3)ccc21 ZINC000012180375 570890959 /nfs/dbraw/zinc/89/09/59/570890959.db2.gz HBAHGMGJRGQQFC-UHFFFAOYSA-N -1 0 364.492 3.547 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)c(Cl)c1 ZINC000022514153 570945038 /nfs/dbraw/zinc/94/50/38/570945038.db2.gz GHWBFZYSOOVBOY-UHFFFAOYSA-N -1 0 364.854 3.576 50 0 FHAARM CCOC(=O)c1nc2cc3n(c(C)c-2c1C)[C@H](C)C(CCC(=O)[O-])=C3C ZINC000034145148 571067933 /nfs/dbraw/zinc/06/79/33/571067933.db2.gz NZIREZADYHKDAZ-GFCCVEGCSA-N -1 0 356.422 3.994 50 0 FHAARM CCOc1ccccc1Oc1ccccc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000269157577 571068470 /nfs/dbraw/zinc/06/84/70/571068470.db2.gz VXQVGRWVCLYHPD-UHFFFAOYSA-N -1 0 369.417 3.814 50 0 FHAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1ccccc1Cl ZINC000012748857 571069286 /nfs/dbraw/zinc/06/92/86/571069286.db2.gz TZOLXVNPGFOXBS-UHFFFAOYSA-N -1 0 373.815 3.838 50 0 FHAARM O=C([O-])CCCC(=O)Nc1ccc(NC(=O)Cc2ccccc2)c(Cl)c1 ZINC000022229200 571071541 /nfs/dbraw/zinc/07/15/41/571071541.db2.gz MDIBZPVKVVQGDV-UHFFFAOYSA-N -1 0 374.824 3.715 50 0 FHAARM O=C([O-])C[C@H](Cc1ccc(Br)cc1)C(=O)NC1CCCCC1 ZINC000004755543 571072479 /nfs/dbraw/zinc/07/24/79/571072479.db2.gz HBBWWFKSNWMTTN-ZDUSSCGKSA-N -1 0 368.271 3.531 50 0 FHAARM COc1ccc(OC)c(NC(=O)[C@H](C)Sc2ccccc2C(=O)[O-])c1 ZINC000012759427 571078535 /nfs/dbraw/zinc/07/85/35/571078535.db2.gz QNOXUJYZKNTKRQ-NSHDSACASA-N -1 0 361.419 3.521 50 0 FHAARM O=C([O-])c1ccccc1CC(=O)Nc1cccc(OCc2ccccn2)c1 ZINC000040158777 571088529 /nfs/dbraw/zinc/08/85/29/571088529.db2.gz XNPLFUSRQYEOHS-UHFFFAOYSA-N -1 0 362.385 3.540 50 0 FHAARM C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])C1CC1 ZINC000070915455 571090694 /nfs/dbraw/zinc/09/06/94/571090694.db2.gz SBWCIRABWAINIK-NRFANRHFSA-N -1 0 351.402 3.778 50 0 FHAARM O=C([O-])[C@@H]1C[C@@]12CCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000306972993 571114132 /nfs/dbraw/zinc/11/41/32/571114132.db2.gz VAHCWDPQONURLI-SIKLNZKXSA-N -1 0 363.413 3.732 50 0 FHAARM Cc1ccc2nc(/C=C\c3cnc(N4CCCC4)nc3)cc(C(=O)[O-])c2c1 ZINC000096307330 571114805 /nfs/dbraw/zinc/11/48/05/571114805.db2.gz OYDYINKLGIFOJU-WAYWQWQTSA-N -1 0 360.417 3.802 50 0 FHAARM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000033047688 571121347 /nfs/dbraw/zinc/12/13/47/571121347.db2.gz LCALUXCCPXLEHW-UHFFFAOYSA-N -1 0 364.181 3.632 50 0 FHAARM CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000003907376 571121862 /nfs/dbraw/zinc/12/18/62/571121862.db2.gz ZTSHVYFTNUKXMK-UHFFFAOYSA-N -1 0 359.856 3.769 50 0 FHAARM Cc1ccccc1OCc1nnc(S[C@H](C)C(=O)[O-])n1-c1ccccc1 ZINC000000916866 571130215 /nfs/dbraw/zinc/13/02/15/571130215.db2.gz DPJFMIDGPZKKKM-CQSZACIVSA-N -1 0 369.446 3.720 50 0 FHAARM Cc1c(Cl)cccc1NC(=O)COc1cc(C(=O)[O-])nc2ccccc21 ZINC000015829530 571130345 /nfs/dbraw/zinc/13/03/45/571130345.db2.gz MALDUYGJAMFOTN-UHFFFAOYSA-N -1 0 370.792 3.912 50 0 FHAARM O=C1[N-]C(=O)/C(=C\c2ccc(-c3ccc(Br)c(Cl)c3)o2)N1 ZINC000001053476 571144028 /nfs/dbraw/zinc/14/40/28/571144028.db2.gz JETUHLPEYPCRSX-IZZDOVSWSA-N -1 0 367.586 3.543 50 0 FHAARM CC1(C)CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C(=O)[O-] ZINC000709858519 571151416 /nfs/dbraw/zinc/15/14/16/571151416.db2.gz XRDYTCJCKUWDRX-SFHVURJKSA-N -1 0 351.402 3.731 50 0 FHAARM Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(c3ncccc3C(=O)[O-])C2)cc1 ZINC000067909993 571151849 /nfs/dbraw/zinc/15/18/49/571151849.db2.gz RSDVIGDEFYSRDS-INIZCTEOSA-N -1 0 362.433 3.862 50 0 FHAARM O=C([O-])CCN(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 ZINC000070915487 571159754 /nfs/dbraw/zinc/15/97/54/571159754.db2.gz WLUVWGKXPUFKNC-UHFFFAOYSA-N -1 0 351.402 3.875 50 0 FHAARM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4c[nH]cn4)cc3)sc2c1 ZINC000033169157 571161592 /nfs/dbraw/zinc/16/15/92/571161592.db2.gz WISGDLUWVBWGOA-UHFFFAOYSA-N -1 0 370.459 3.796 50 0 FHAARM C[C@H](C(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C ZINC000257349258 571163549 /nfs/dbraw/zinc/16/35/49/571163549.db2.gz MULSOMSXPSGJAM-HEMXAURTSA-N -1 0 364.526 3.698 50 0 FHAARM Cc1nc([C@@H](C)NC(=O)c2ccc(C(F)(F)F)cc2)sc1C(=O)[O-] ZINC000237512871 571166724 /nfs/dbraw/zinc/16/67/24/571166724.db2.gz WDYMTRFVRPCIJI-MRVPVSSYSA-N -1 0 358.341 3.660 50 0 FHAARM C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OS(=O)(=O)[O-])CC[C@@]43C)[C@H]1CCC2=O ZINC000006943693 571189425 /nfs/dbraw/zinc/18/94/25/571189425.db2.gz CZWCKYRVOZZJNM-CWTKERLFSA-N -1 0 368.495 3.706 50 0 FHAARM Cc1cccc(OC2(C(=O)[O-])CCN(Cc3coc(C(C)C)n3)CC2)c1 ZINC000072473326 571198566 /nfs/dbraw/zinc/19/85/66/571198566.db2.gz TZXHLMZPNUZNOQ-UHFFFAOYSA-N -1 0 358.438 3.605 50 0 FHAARM COc1ccc(/C=C(\Cl)C(=O)Nc2ccccc2C(=O)[O-])cc1OC ZINC000077024535 571205807 /nfs/dbraw/zinc/20/58/07/571205807.db2.gz DEVNHOGTVVGHRD-LCYFTJDESA-N -1 0 361.781 3.620 50 0 FHAARM CC(C)OCc1nc(=O)c2snc(-c3cccc(C(F)(F)F)c3)c2[n-]1 ZINC000585138650 571227450 /nfs/dbraw/zinc/22/74/50/571227450.db2.gz XSPPBQPJXSTNJO-UHFFFAOYSA-N -1 0 369.368 3.990 50 0 FHAARM C[C@H](Oc1ccc(-c2cc(C(F)(F)F)cnc2N(C)C)cc1)C(=O)[O-] ZINC000091695558 571242548 /nfs/dbraw/zinc/24/25/48/571242548.db2.gz AVVGOXGPSAAELM-JTQLQIEISA-N -1 0 354.328 3.685 50 0 FHAARM Cc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c2cccc(C)c2n1 ZINC000091724664 571242687 /nfs/dbraw/zinc/24/26/87/571242687.db2.gz GNNGXGRIXNDMMU-VQTJNVASSA-N -1 0 374.440 3.792 50 0 FHAARM Cc1c2cc(F)ccc2oc1[C@@H](C)NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000170044180 571261075 /nfs/dbraw/zinc/26/10/75/571261075.db2.gz NRICPXOBDHQBGN-GFCCVEGCSA-N -1 0 371.364 3.835 50 0 FHAARM C[C@@H](CCc1ccccc1)CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(F)c1 ZINC000170592165 571266321 /nfs/dbraw/zinc/26/63/21/571266321.db2.gz MRRVDADRDCLPDF-ORAYPTAESA-N -1 0 361.388 3.866 50 0 FHAARM CCOC(=O)c1c(C)csc1[N-]S(=O)(=O)c1cc(C)sc1C ZINC000170609215 571267447 /nfs/dbraw/zinc/26/74/47/571267447.db2.gz ZOUIRWSHHMFULA-UHFFFAOYSA-N -1 0 359.494 3.712 50 0 FHAARM O=C([O-])c1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)s1 ZINC000238015839 571277450 /nfs/dbraw/zinc/27/74/50/571277450.db2.gz LMHRGOOCNNAMLH-UHFFFAOYSA-N -1 0 356.403 3.607 50 0 FHAARM O=C([O-])C=Cc1ccc(N2C(=O)C[C@@H](Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000027531516 571312440 /nfs/dbraw/zinc/31/24/40/571312440.db2.gz MBWATKBJRWQLPR-HYJLXUOHSA-N -1 0 369.804 3.560 50 0 FHAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2c1[C@@H](C(F)(F)F)SCC(=O)N2 ZINC000079486028 571327549 /nfs/dbraw/zinc/32/75/49/571327549.db2.gz SWDQHYQWWBWGAF-LBPRGKRZSA-N -1 0 371.340 3.817 50 0 FHAARM O=S(=O)([N-]c1ccc(-c2ccc[nH]2)cc1)c1cnn(-c2ccccc2)c1 ZINC000095460471 571330220 /nfs/dbraw/zinc/33/02/20/571330220.db2.gz QPKRQAYJCWMLGW-UHFFFAOYSA-N -1 0 364.430 3.668 50 0 FHAARM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccco1)c1ccc(Cl)c(F)c1 ZINC000095464063 571330319 /nfs/dbraw/zinc/33/03/19/571330319.db2.gz HHLYIOPEBALTDZ-WDMOLILDSA-N -1 0 351.761 3.508 50 0 FHAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)s2)on1 ZINC000020978419 571332016 /nfs/dbraw/zinc/33/20/16/571332016.db2.gz SFJMNGCTYKIOSA-UHFFFAOYSA-N -1 0 356.375 3.791 50 0 FHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1-c1nnc(C2CC2)o1 ZINC000096379678 571335510 /nfs/dbraw/zinc/33/55/10/571335510.db2.gz DBDYVHTWGGRLRM-UHFFFAOYSA-N -1 0 372.450 3.668 50 0 FHAARM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)/C=C\c1ccc(C)cc1 ZINC000096401799 571335816 /nfs/dbraw/zinc/33/58/16/571335816.db2.gz QKBPUJRAOACWIB-KTKRTIGZSA-N -1 0 363.460 3.828 50 0 FHAARM Cc1cccc([C@@H]2CCCN2C(=O)c2cccc(OCC(=O)[O-])c2)c1C ZINC000262043896 600912223 /nfs/dbraw/zinc/91/22/23/600912223.db2.gz ARRLTZMOOGJOCI-IBGZPJMESA-N -1 0 353.418 3.744 50 0 FHAARM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cnc(C(=O)[O-])cn1 ZINC000263293826 604782382 /nfs/dbraw/zinc/78/23/82/604782382.db2.gz RSVZUYUZHQGJJC-UHFFFAOYSA-N -1 0 368.220 3.532 50 0 FHAARM C[C@@H]1CN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)CCC1(F)F ZINC000332629172 945248416 /nfs/dbraw/zinc/24/84/16/945248416.db2.gz DHNDMOCXAZSCSK-SECBINFHSA-N -1 0 372.828 3.789 50 0 FHAARM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2sc3cc(Cl)ccc3c2Cl)C1 ZINC000262443368 946598882 /nfs/dbraw/zinc/59/88/82/946598882.db2.gz GYWSZQCZRJCUGN-WPRPVWTQSA-N -1 0 374.245 3.522 50 0 FHAARM CC(C)N1C(=O)C(=NNc2cc(C(=O)[O-])ccc2Cl)c2ccccc21 ZINC000254704761 947608072 /nfs/dbraw/zinc/60/80/72/947608072.db2.gz RMVMMXKSRGRDDH-UHFFFAOYSA-N -1 0 357.797 3.609 50 0 FHAARM CCCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1C ZINC000011565946 219921587 /nfs/dbraw/zinc/92/15/87/219921587.db2.gz GWCWFDSPSQQCSU-UHFFFAOYSA-N -1 0 363.435 3.673 50 0 FHAARM O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccccc1OCCc1ccccc1 ZINC000299784970 203769399 /nfs/dbraw/zinc/76/93/99/203769399.db2.gz IQANYDPAHQNNTQ-SFHVURJKSA-N -1 0 367.445 3.778 50 0 FHAARM COc1ccccc1-c1cc(C(F)(F)F)n(-c2nc(C(=O)[O-])cs2)n1 ZINC000006007487 203813156 /nfs/dbraw/zinc/81/31/56/203813156.db2.gz OFDBYQFVLALRRY-UHFFFAOYSA-N -1 0 369.324 3.721 50 0 FHAARM Cc1ccc(/C=C2/CCn3c2nc2sc(C(=O)[O-])c(C)c2c3=O)s1 ZINC000096759156 203928216 /nfs/dbraw/zinc/92/82/16/203928216.db2.gz QKQKLLSHSVPAIM-YFHOEESVSA-N -1 0 358.444 3.779 50 0 FHAARM Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000694560 203944093 /nfs/dbraw/zinc/94/40/93/203944093.db2.gz MULMTWPLJRJBOD-UHFFFAOYSA-N -1 0 373.459 3.505 50 0 FHAARM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000001217290 203994818 /nfs/dbraw/zinc/99/48/18/203994818.db2.gz JNKCPBZILBGYEK-IBGZPJMESA-N -1 0 366.417 3.546 50 0 FHAARM O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1Cl ZINC000001006257 203971244 /nfs/dbraw/zinc/97/12/44/203971244.db2.gz RDEOSSCXSIFDRJ-KRWDZBQOSA-N -1 0 356.809 3.883 50 0 FHAARM O=C([O-])CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1Cl ZINC000001217266 203994311 /nfs/dbraw/zinc/99/43/11/203994311.db2.gz VINKPVOXGBCRJY-CQSZACIVSA-N -1 0 362.838 3.944 50 0 FHAARM COc1cc(S(=O)(=O)[N-]c2cccc(F)c2C)c(OC)cc1Cl ZINC000001431557 204006576 /nfs/dbraw/zinc/00/65/76/204006576.db2.gz CRPLWCZCLVWFKQ-UHFFFAOYSA-N -1 0 359.806 3.606 50 0 FHAARM Cc1cc(OCc2ccc(C(=O)[O-])cc2)c2c3c(c(=O)oc2c1)CCC3 ZINC000001797601 204019878 /nfs/dbraw/zinc/01/98/78/204019878.db2.gz NAYZPNUIOBPTDH-UHFFFAOYSA-N -1 0 350.370 3.867 50 0 biogenic FHAARM CC(C)CC[C@H](C(=O)[O-])[C@@H](C)CC(=O)Nc1ccn(-c2ccccc2)n1 ZINC000002062085 204024777 /nfs/dbraw/zinc/02/47/77/204024777.db2.gz VHLWRSHMNSBDCC-RDJZCZTQSA-N -1 0 357.454 3.974 50 0 FHAARM CC(C)(C)[C@@H]1CCc2c(sc3nc(SCC(=O)[O-])nc(N)c32)C1 ZINC000002286674 204032426 /nfs/dbraw/zinc/03/24/26/204032426.db2.gz PQDXZFSCGCGOFN-MRVPVSSYSA-N -1 0 351.497 3.601 50 0 FHAARM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002578583 204044616 /nfs/dbraw/zinc/04/46/16/204044616.db2.gz KTLDVIJVCPIJCM-HKUYNNGSSA-N -1 0 351.402 3.778 50 0 FHAARM CC1(C)[C@@H](C(=O)[O-])CC[C@@]1(C)C(=O)Nc1cccc(Br)c1 ZINC000002575586 204044792 /nfs/dbraw/zinc/04/47/92/204044792.db2.gz AIBXYGVUBITZEX-WBMJQRKESA-N -1 0 354.244 3.915 50 0 FHAARM CCOc1ccc(-c2nnc(SCC(=O)[O-])n2Cc2ccccc2)cc1 ZINC000002866942 204064777 /nfs/dbraw/zinc/06/47/77/204064777.db2.gz SVBMIQUURTUWKT-UHFFFAOYSA-N -1 0 369.446 3.569 50 0 FHAARM COc1ccc(NC(=O)Cc2c3ccccc3n(C)c2C(=O)[O-])cc1Cl ZINC000003660268 204110045 /nfs/dbraw/zinc/11/00/45/204110045.db2.gz MAQLYNUEJGKOBJ-UHFFFAOYSA-N -1 0 372.808 3.720 50 0 FHAARM COc1ccc(Cl)cc1NC(=O)Cc1c2ccccc2n(C)c1C(=O)[O-] ZINC000003660272 204110782 /nfs/dbraw/zinc/11/07/82/204110782.db2.gz AIPXBVGVKSMOFR-UHFFFAOYSA-N -1 0 372.808 3.720 50 0 FHAARM Cc1ccc(OCCSc2nc3ccccc3n2CCC(=O)[O-])cc1 ZINC000003876921 204112734 /nfs/dbraw/zinc/11/27/34/204112734.db2.gz DGTDOKZHSGHCRP-UHFFFAOYSA-N -1 0 356.447 3.991 50 0 FHAARM Cc1cc(C)c(S(=O)(=O)[N-]C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000004031111 204118832 /nfs/dbraw/zinc/11/88/32/204118832.db2.gz LPYHSGJHFKVMAD-UHFFFAOYSA-N -1 0 361.507 3.633 50 0 FHAARM CCOC(=O)c1cc(C(C)C)sc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004124320 204123055 /nfs/dbraw/zinc/12/30/55/204123055.db2.gz CSYCIEPFSHFTIM-RYUDHWBXSA-N -1 0 365.451 3.654 50 0 FHAARM Cc1ccc(NC(=O)[C@H]2CC(Cl)=CC[C@H]2C(=O)[O-])c(Br)c1 ZINC000004178841 204125802 /nfs/dbraw/zinc/12/58/02/204125802.db2.gz MLWWPMLLTDLSTD-MNOVXSKESA-N -1 0 372.646 3.930 50 0 FHAARM CCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(OCC)cc2)cc1 ZINC000003623691 204109385 /nfs/dbraw/zinc/10/93/85/204109385.db2.gz WFKKZAHRCGCMFC-LJQANCHMSA-N -1 0 371.433 3.820 50 0 FHAARM C[C@H]1CCc2c(sc3ncnc([N-]S(=O)(=O)c4cccs4)c23)C1 ZINC000004647496 204152137 /nfs/dbraw/zinc/15/21/37/204152137.db2.gz CFWCXZWAQSVJRA-VIFPVBQESA-N -1 0 365.505 3.678 50 0 FHAARM Cc1ccc(C[C@H](CC(=O)[O-])C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004698260 204156545 /nfs/dbraw/zinc/15/65/45/204156545.db2.gz SUGKBEXQCFDKDX-LIPMQLJGSA-N -1 0 369.505 3.961 50 0 FHAARM O=C([O-])c1ccccc1N1C(=S)N=NC1C12CC3CC(CC(C3)C1)C2 ZINC000004708180 204157041 /nfs/dbraw/zinc/15/70/41/204157041.db2.gz WZKNCCFYWZNOJM-UHFFFAOYSA-N -1 0 355.463 3.722 50 0 FHAARM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C)ccc1OC ZINC000004809469 204163716 /nfs/dbraw/zinc/16/37/16/204163716.db2.gz LAVPPOGJHMTDAT-UHFFFAOYSA-N -1 0 355.843 3.857 50 0 FHAARM O=C(Nc1cccc(F)c1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000004809282 204163809 /nfs/dbraw/zinc/16/38/09/204163809.db2.gz AYPCLVMNDZDWCL-UHFFFAOYSA-N -1 0 370.405 3.879 50 0 FHAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000004522538 204144481 /nfs/dbraw/zinc/14/44/81/204144481.db2.gz BRNUHOSGBYYTJJ-ZJUUUORDSA-N -1 0 360.635 3.932 50 0 FHAARM O=C([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2)C2CCCCC2)cc1 ZINC000005501470 204212037 /nfs/dbraw/zinc/21/20/37/204212037.db2.gz NZHYPLCYDLPGEP-UHFFFAOYSA-N -1 0 373.474 3.908 50 0 FHAARM Cc1ccc(NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c(C(=O)[O-])c1 ZINC000005578313 204216469 /nfs/dbraw/zinc/21/64/69/204216469.db2.gz AFLHLUBBQCOXOX-UHFFFAOYSA-N -1 0 354.406 3.930 50 0 FHAARM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000004954795 204179496 /nfs/dbraw/zinc/17/94/96/204179496.db2.gz WQBDPEPULFNCMM-BCWBERDBSA-N -1 0 370.630 3.564 50 0 FHAARM CCC[C@H](C)c1c([O-])nc(Nc2nc(C)c3ccc(C)cc3n2)[nH]c1=O ZINC000005118781 204193318 /nfs/dbraw/zinc/19/33/18/204193318.db2.gz GIROUTUQVFVYEY-NSHDSACASA-N -1 0 353.426 3.683 50 0 FHAARM Cc1ccc(-c2nnc(SCc3nc(=O)c4sccc4[n-]3)o2)cc1 ZINC000006028654 204235102 /nfs/dbraw/zinc/23/51/02/204235102.db2.gz JYESKYCFYMIAKA-UHFFFAOYSA-N -1 0 356.432 3.635 50 0 FHAARM COc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000006352302 204246262 /nfs/dbraw/zinc/24/62/62/204246262.db2.gz SHKAQSVVGIGRQP-UHFFFAOYSA-N -1 0 361.341 3.523 50 0 FHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000006590099 204254258 /nfs/dbraw/zinc/25/42/58/204254258.db2.gz ICVUHQWTNCQJBA-CABCVRRESA-N -1 0 367.430 3.668 50 0 FHAARM COc1ccc([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)cn1 ZINC000007056605 204287964 /nfs/dbraw/zinc/28/79/64/204287964.db2.gz VEOYLNWUAAEFIB-UHFFFAOYSA-N -1 0 361.250 3.815 50 0 FHAARM COc1cc([N-]S(=O)(=O)c2ccccc2Cl)c(OC)cc1Cl ZINC000007387467 204297092 /nfs/dbraw/zinc/29/70/92/204297092.db2.gz CERWKRGHMYPMEE-UHFFFAOYSA-N -1 0 362.234 3.811 50 0 FHAARM O=C(c1c[nH]c(-c2nnc3ccc(C(F)(F)F)cn32)c1)c1ccccc1[O-] ZINC000007986583 204312716 /nfs/dbraw/zinc/31/27/16/204312716.db2.gz CSKPCBGGNSTOQX-UHFFFAOYSA-N -1 0 372.306 3.680 50 0 FHAARM O=C([O-])c1cccnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008378323 204328772 /nfs/dbraw/zinc/32/87/72/204328772.db2.gz NPAURVJDXYONPJ-UHFFFAOYSA-N -1 0 356.325 3.529 50 0 FHAARM CCSc1n[n-]c2nc3c(c(=O)n21)C1(CCCC1)Cc1ccccc1-3 ZINC000008686239 204338630 /nfs/dbraw/zinc/33/86/30/204338630.db2.gz AYSKWNKEYCQXQL-UHFFFAOYSA-N -1 0 352.463 3.977 50 0 aggregator FHAARM CCOC(=O)c1cc2cc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])ccc2s1 ZINC000008816558 204345746 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O=C([O-])C/C(=C/c1cnn(-c2ccccc2)n1)c1nc2ccccc2s1 ZINC000032674138 204935101 /nfs/dbraw/zinc/93/51/01/204935101.db2.gz UKSJDWWSBYTLRP-RAXLEYEMSA-N -1 0 362.414 3.892 50 0 FHAARM O=C([O-])CC1(CNC(=O)CCn2ccc3ccc(F)cc32)CCCCC1 ZINC000036364968 205013889 /nfs/dbraw/zinc/01/38/89/205013889.db2.gz SYGFDJCGMBVXPT-UHFFFAOYSA-N -1 0 360.429 3.712 50 0 FHAARM CCn1c(C)cc(C([O-])=CS(=O)(=O)Cc2ccc(F)cc2Cl)c1C ZINC000040070019 205052500 /nfs/dbraw/zinc/05/25/00/205052500.db2.gz YEECYKKXNUMXNR-UHFFFAOYSA-N -1 0 371.861 3.715 50 0 FHAARM Cc1oc(CN(C)C(=O)[C@H]2CCCO[C@H]2c2ccc(C)cc2)cc1C(=O)[O-] ZINC000299748088 205127014 /nfs/dbraw/zinc/12/70/14/205127014.db2.gz FYFXHLSQFRWYJC-HKUYNNGSSA-N -1 0 371.433 3.721 50 0 FHAARM CCn1c(=O)sc2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc21 ZINC000046017434 205128742 /nfs/dbraw/zinc/12/87/42/205128742.db2.gz XSMFWHMYVBOKDN-UHFFFAOYSA-N -1 0 374.896 3.599 50 0 FHAARM Cc1nn(-c2ccc(F)cc2F)c2c1C(=C([O-])c1cccs1)CC(=O)N2 ZINC000046057180 205130406 /nfs/dbraw/zinc/13/04/06/205130406.db2.gz XLOFBQXHSYYPDW-NSHDSACASA-N -1 0 373.384 3.829 50 0 FHAARM Cc1nc(-c2cccc(F)c2)sc1C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000049546734 205173133 /nfs/dbraw/zinc/17/31/33/205173133.db2.gz XTROYUZWTMEUFL-OAHLLOKOSA-N -1 0 370.405 3.813 50 0 FHAARM O=C([O-])c1cn(-c2ccccc2Cl)c2c1NC(=O)C[C@H]2c1cccnc1 ZINC000049550455 205173872 /nfs/dbraw/zinc/17/38/72/205173872.db2.gz NHXVTFZLACLJBI-LBPRGKRZSA-N -1 0 367.792 3.698 50 0 FHAARM COc1ccc(F)cc1[C@H](C(=O)[O-])N(Cc1ccco1)Cc1ccncc1 ZINC000055090480 205206318 /nfs/dbraw/zinc/20/63/18/205206318.db2.gz LDNDZTSTNHRZPB-LJQANCHMSA-N -1 0 370.380 3.650 50 0 FHAARM Cc1cc(S(=O)(=O)N(C)c2ccc3ccccc3c2)sc1C(=O)[O-] ZINC000055567163 205220437 /nfs/dbraw/zinc/22/04/37/205220437.db2.gz KKNQYFXRDJUMJD-UHFFFAOYSA-N -1 0 361.444 3.733 50 0 FHAARM O=C([O-])CN1C(=O)c2cccc3c(Sc4ccccc4)ccc(c32)C1=O ZINC000059687825 205282124 /nfs/dbraw/zinc/28/21/24/205282124.db2.gz YCOKUKRVSXUWAO-UHFFFAOYSA-N -1 0 363.394 3.672 50 0 FHAARM Cc1cc(N(C)C)ccc1NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000063810279 205293632 /nfs/dbraw/zinc/29/36/32/205293632.db2.gz FQPRMCRPLIXJHO-UHFFFAOYSA-N -1 0 354.435 3.625 50 0 FHAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3cccc(F)c3)c(C)n2C)n1 ZINC000064668219 205301793 /nfs/dbraw/zinc/30/17/93/205301793.db2.gz DZSNSDZZYRHFNO-UHFFFAOYSA-N -1 0 365.455 3.705 50 0 FHAARM CCn1cc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)c2cccnc21 ZINC000065242142 205327956 /nfs/dbraw/zinc/32/79/56/205327956.db2.gz QYJFPTITYIZPSF-UHFFFAOYSA-N -1 0 365.842 3.519 50 0 FHAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(-c2nnc(C3CC3)o2)o1 ZINC000065246363 205328883 /nfs/dbraw/zinc/32/88/83/205328883.db2.gz NIYHYRPRBDELCV-UHFFFAOYSA-N -1 0 365.798 3.661 50 0 FHAARM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CC3)o2)s1 ZINC000064920232 205310420 /nfs/dbraw/zinc/31/04/20/205310420.db2.gz VIIAMRNDQSQMGR-UHFFFAOYSA-N -1 0 361.448 3.785 50 0 FHAARM COc1cc(-c2ccno2)ccc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000064979526 205312347 /nfs/dbraw/zinc/31/23/47/205312347.db2.gz 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ZINC000065183980 205321608 /nfs/dbraw/zinc/32/16/08/205321608.db2.gz DXNHCJJYDFDJJX-UHFFFAOYSA-N -1 0 364.496 3.586 50 0 FHAARM C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000095508897 205774806 /nfs/dbraw/zinc/77/48/06/205774806.db2.gz JDQCLXNTFMNGDC-LBPRGKRZSA-N -1 0 355.415 3.683 50 0 FHAARM O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1ncccc1[O-] ZINC000116987183 206101660 /nfs/dbraw/zinc/10/16/60/206101660.db2.gz FJAQIGYSWWICOZ-VWLOTQADSA-N -1 0 358.463 3.621 50 0 FHAARM Cc1nc(C2CCCC2)sc1C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000237616349 206105884 /nfs/dbraw/zinc/10/58/84/206105884.db2.gz SXTOKRSIUCLDEY-INIZCTEOSA-N -1 0 372.490 3.782 50 0 FHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)C2(c3ccccc3F)CC2)CC1 ZINC000238059626 206113594 /nfs/dbraw/zinc/11/35/94/206113594.db2.gz XACSZAFLFOTQGH-UHFFFAOYSA-N -1 0 367.420 3.502 50 0 FHAARM O=C([O-])CC[C@H]1CCCN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000238008004 206111525 /nfs/dbraw/zinc/11/15/25/206111525.db2.gz JXEYYJUDGFKCSM-CQSZACIVSA-N -1 0 374.412 3.517 50 0 FHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)C1 ZINC000237964450 206112160 /nfs/dbraw/zinc/11/21/60/206112160.db2.gz RBKLSZQUWWQIAD-CFVMTHIKSA-N -1 0 369.383 3.912 50 0 FHAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000136492826 206131232 /nfs/dbraw/zinc/13/12/32/206131232.db2.gz FYVJQCQCXAPWEX-LBPRGKRZSA-N -1 0 350.827 3.543 50 0 FHAARM COc1ccc(OC)c(Nc2nccc(Nc3cccc(C(=O)[O-])c3)n2)c1 ZINC000170621810 206132940 /nfs/dbraw/zinc/13/29/40/206132940.db2.gz XMFJAFHCDZGUKU-UHFFFAOYSA-N -1 0 366.377 3.679 50 0 FHAARM CCc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])nc1-c1ccccc1 ZINC000002765213 206157212 /nfs/dbraw/zinc/15/72/12/206157212.db2.gz DWSFNXPIUCUJDC-ZIAGYGMSSA-N -1 0 356.447 3.978 50 0 FHAARM O=C([O-])CC[C@H](CNC(=O)c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000003359236 206160808 /nfs/dbraw/zinc/16/08/08/206160808.db2.gz PYVVBJHYOSPZLP-MRVPVSSYSA-N -1 0 358.143 3.767 50 0 FHAARM COc1cccc(-c2nnc([N-]c3nc4cc5c(cc4s3)OCO5)o2)c1 ZINC000004137833 206170572 /nfs/dbraw/zinc/17/05/72/206170572.db2.gz HOQFKIRUVZZBFC-UHFFFAOYSA-N -1 0 368.374 3.827 50 0 FHAARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000005127147 206189819 /nfs/dbraw/zinc/18/98/19/206189819.db2.gz XLKAUMVILSXFDA-UHFFFAOYSA-N -1 0 368.252 3.761 50 0 FHAARM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(Br)cc2)no1 ZINC000005642203 206198679 /nfs/dbraw/zinc/19/86/79/206198679.db2.gz ZZLNLPRBQKOXKN-UHFFFAOYSA-N -1 0 359.245 3.535 50 0 FHAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2N)c1=O ZINC000100498576 206224157 /nfs/dbraw/zinc/22/41/57/206224157.db2.gz IXSBSIHHWMKKLI-UHFFFAOYSA-N -1 0 365.433 3.732 50 0 FHAARM O=C(NCc1cc(=O)n(-c2ccccc2)[n-]1)c1ccc(-c2ccccc2)cc1 ZINC000008742996 206217470 /nfs/dbraw/zinc/21/74/70/206217470.db2.gz ZZIJCTOUHBXGNV-UHFFFAOYSA-N -1 0 369.424 3.763 50 0 FHAARM CCCCc1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000007813987 206245828 /nfs/dbraw/zinc/24/58/28/206245828.db2.gz JYDLMZYTCACAQI-UHFFFAOYSA-N -1 0 361.463 3.847 50 0 FHAARM CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)[O-])cc1 ZINC000004550485 206238962 /nfs/dbraw/zinc/23/89/62/206238962.db2.gz MEKJCJOZRBFCMJ-GFCCVEGCSA-N -1 0 372.446 3.689 50 0 FHAARM O=C([O-])c1ccc(Cl)cc1NC(=O)Cc1ccc(Br)cc1 ZINC000009225102 206247640 /nfs/dbraw/zinc/24/76/40/206247640.db2.gz WSJVWWWWWBWHBI-UHFFFAOYSA-N -1 0 368.614 3.982 50 0 FHAARM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000170675982 206280244 /nfs/dbraw/zinc/28/02/44/206280244.db2.gz DJROROGLFGEHQZ-UHFFFAOYSA-N -1 0 362.813 3.901 50 0 FHAARM COc1cc(OC)c(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1Cl ZINC000013251623 206300835 /nfs/dbraw/zinc/30/08/35/206300835.db2.gz XHPFINNQASAOPA-UHFFFAOYSA-N -1 0 355.818 3.721 50 0 FHAARM Cc1nn(Cc2ccccc2C)c(C)c1[N-]S(=O)(=O)c1ccccc1 ZINC000014222395 206310577 /nfs/dbraw/zinc/31/05/77/206310577.db2.gz KRADGAVNOZNALY-UHFFFAOYSA-N -1 0 355.463 3.657 50 0 FHAARM COc1ccc(-c2c/c(=N\CCC(=O)[O-])c3cc(C)ccc3o2)cc1OC ZINC000019911686 206328337 /nfs/dbraw/zinc/32/83/37/206328337.db2.gz HQWBTCVKLHZDNN-CJLVFECKSA-N -1 0 367.401 3.801 50 0 FHAARM Cc1ccc(-c2csc3[nH]c(SCCC(=O)[O-])nc(=O)c23)c(C)c1 ZINC000020379822 206329940 /nfs/dbraw/zinc/32/99/40/206329940.db2.gz YCLCMHJXHKCBFM-UHFFFAOYSA-N -1 0 360.460 3.835 50 0 FHAARM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000055577198 206380780 /nfs/dbraw/zinc/38/07/80/206380780.db2.gz UXFGXLJHRNBBDQ-UHFFFAOYSA-N -1 0 359.426 3.737 50 0 FHAARM COc1cc2ccccc2cc1C(=O)OCc1nc(=O)c2sccc2[n-]1 ZINC000021945675 206364927 /nfs/dbraw/zinc/36/49/27/206364927.db2.gz JWMNNAGSSDCGKQ-UHFFFAOYSA-N -1 0 366.398 3.503 50 0 FHAARM O=C([O-])c1cccc(CN2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)n1 ZINC000219893365 206393367 /nfs/dbraw/zinc/39/33/67/206393367.db2.gz GCEGISIZGCZGEB-MRXNPFEDSA-N -1 0 356.813 3.647 50 0 FHAARM CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCCC3)c([O-])n2n1 ZINC000022852936 206393481 /nfs/dbraw/zinc/39/34/81/206393481.db2.gz XVXQGMHOLVDBRN-CQSZACIVSA-N -1 0 362.886 3.897 50 0 FHAARM COc1ccc(CC(=O)Nc2ccc(N3CCCCC3)cc2C(=O)[O-])cc1 ZINC000064589178 136133418 /nfs/dbraw/zinc/13/34/18/136133418.db2.gz KXEVIWSAQORCQI-UHFFFAOYSA-N -1 0 368.433 3.565 50 0 FHAARM CCc1cc(N2CCC[C@](Cc3cccc(Cl)c3)(C(=O)[O-])C2)ncn1 ZINC000071747306 136140071 /nfs/dbraw/zinc/14/00/71/136140071.db2.gz VRPSKVRCQXZQQO-LJQANCHMSA-N -1 0 359.857 3.606 50 0 FHAARM Cc1nn([C@H](CC(=O)c2ccccc2)C(=O)[O-])c(C)c1Cc1ccccc1 ZINC000020095949 526306119 /nfs/dbraw/zinc/30/61/19/526306119.db2.gz VRNUJNCMUKRTPJ-HXUWFJFHSA-N -1 0 362.429 3.989 50 0 FHAARM COc1ccc(-c2csc3ncnc(N4CCC(C(=O)[O-])CC4)c23)cc1 ZINC000003391585 536502023 /nfs/dbraw/zinc/50/20/23/536502023.db2.gz DZTIZLGSNOWIMY-UHFFFAOYSA-N -1 0 369.446 3.668 50 0 FHAARM COC(=O)c1c(CC(C)C)c(C(=O)[O-])c(C(F)F)nc1C(F)(F)F ZINC000000729279 570454010 /nfs/dbraw/zinc/45/40/10/570454010.db2.gz PEUBABNCOZOOAZ-UHFFFAOYSA-N -1 0 355.259 3.721 50 0 FHAARM COc1ccc2c(C)c(C(=O)N(C)[C@H](C(=O)[O-])c3cccs3)oc2c1 ZINC000095511731 570466051 /nfs/dbraw/zinc/46/60/51/570466051.db2.gz LAYTZSYLKAKMPN-HNNXBMFYSA-N -1 0 359.403 3.709 50 0 FHAARM Cc1ccc(Oc2ncccc2NC(=O)CCCC(=O)[O-])c2c1CCC2 ZINC000001034346 570473393 /nfs/dbraw/zinc/47/33/93/570473393.db2.gz AIBHAPAFWTXDCG-UHFFFAOYSA-N -1 0 354.406 3.864 50 0 FHAARM O=C([O-])c1cccnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000001043226 570475988 /nfs/dbraw/zinc/47/59/88/570475988.db2.gz WKIOAUWMOBXYMI-UHFFFAOYSA-N -1 0 357.218 3.817 50 0 FHAARM CCc1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000096170879 570478709 /nfs/dbraw/zinc/47/87/09/570478709.db2.gz YOVSEMZYVYQAEH-UHFFFAOYSA-N -1 0 358.232 3.951 50 0 FHAARM O=C(Nc1cccc(Cl)c1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100613732 570505711 /nfs/dbraw/zinc/50/57/11/570505711.db2.gz QNIWGIBGPSIWSI-UHFFFAOYSA-N -1 0 354.793 3.559 50 0 FHAARM CCC(C(=O)c1ccc(OC)c(OC)c1)=C([O-])c1ccc(OC)c(OC)c1 ZINC000100802051 570508453 /nfs/dbraw/zinc/50/84/53/570508453.db2.gz YCHUQKYNSZWMRL-UHFFFAOYSA-N -1 0 372.417 3.813 50 0 FHAARM COc1ccc2c(c1)[nH]c1c2nc([S-])n(-c2ccccc2Cl)c1=O ZINC000101264339 570510804 /nfs/dbraw/zinc/51/08/04/570510804.db2.gz VJHVZUOPIOBPQO-UHFFFAOYSA-N -1 0 357.822 3.818 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2C)c(Br)c1 ZINC000312299711 570666253 /nfs/dbraw/zinc/66/62/53/570666253.db2.gz WNQPQQRTCMLDDP-UHFFFAOYSA-N -1 0 355.257 3.570 50 0 FHAARM CC(C)[C@@H](NC(=O)c1cn(Cc2ccccc2)c2ccccc12)C(=O)[O-] ZINC000236718604 570684301 /nfs/dbraw/zinc/68/43/01/570684301.db2.gz GOPZADWVSFXEAM-LJQANCHMSA-N -1 0 350.418 3.529 50 0 FHAARM CC(C)c1ccc(NC(=O)CCC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1 ZINC000012415203 570743399 /nfs/dbraw/zinc/74/33/99/570743399.db2.gz VSOUOHHMMPFNNN-UHFFFAOYSA-N -1 0 371.462 3.551 50 0 FHAARM O=C([O-])C1(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)CCCCC1 ZINC000013469361 570777996 /nfs/dbraw/zinc/77/79/96/570777996.db2.gz KSEDEKJZWSNQBR-UHFFFAOYSA-N -1 0 372.465 3.723 50 0 FHAARM O=C([O-])c1ccc(C[NH2+]Cc2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1 ZINC000013689653 570784991 /nfs/dbraw/zinc/78/49/91/570784991.db2.gz LZIXFQRNYIMZOI-UHFFFAOYSA-N -1 0 351.358 3.633 50 0 FHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(C)c4C)c=3c2=O)cc1Cl ZINC000101398574 570819700 /nfs/dbraw/zinc/81/97/00/570819700.db2.gz SNNHXFJWNCLNET-DLBZAZTESA-N -1 0 368.824 3.763 50 0 FHAARM Cc1cccc(C)c1NCc1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O ZINC000101802775 570824347 /nfs/dbraw/zinc/82/43/47/570824347.db2.gz WYEMTHHDBNNVAH-UHFFFAOYSA-N -1 0 373.460 3.546 50 0 FHAARM Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1F ZINC000101260356 570859768 /nfs/dbraw/zinc/85/97/68/570859768.db2.gz RWZNEVVUQCHAAZ-CVEARBPZSA-N -1 0 372.787 3.594 50 0 FHAARM O=C([O-])/C(=C/C=C/c1ccccc1)NC(=O)c1cccc(Br)c1 ZINC000104627951 570860134 /nfs/dbraw/zinc/86/01/34/570860134.db2.gz DEHHJCGFKVGNDM-MAHQCVNESA-N -1 0 372.218 3.861 50 0 FHAARM CSc1ccccc1N1C(=O)C[C@@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000019789798 570902898 /nfs/dbraw/zinc/90/28/98/570902898.db2.gz PTDOLCZLQYOHHN-OAHLLOKOSA-N -1 0 373.455 3.531 50 0 FHAARM Cc1cccc(-n2c(=S)[n-]c(=O)c3c2NCN(C2CCCC2)C3)c1C ZINC000019939117 570907083 /nfs/dbraw/zinc/90/70/83/570907083.db2.gz BAIFGKXJFKCYFV-UHFFFAOYSA-N -1 0 356.495 3.640 50 0 FHAARM Cc1nc2sc(-c3ccccc3)cc2c(N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000020318881 570914409 /nfs/dbraw/zinc/91/44/09/570914409.db2.gz XXEKFMPZMLMJMJ-AWEZNQCLSA-N -1 0 353.447 3.968 50 0 FHAARM O=C([O-])CC1(CNC(=O)Cc2csc(-c3ccccc3)n2)CCCCC1 ZINC000020727614 570924135 /nfs/dbraw/zinc/92/41/35/570924135.db2.gz PCTKJSBWAYCWDG-UHFFFAOYSA-N -1 0 372.490 3.894 50 0 FHAARM Cc1[nH]c2c(cccc2C(=O)NC[C@@H](Cc2cccc(C)c2)C(=O)[O-])c1C ZINC000225461407 571037386 /nfs/dbraw/zinc/03/73/86/571037386.db2.gz SJPTWXJEXCMNPI-QGZVFWFLSA-N -1 0 364.445 3.766 50 0 FHAARM O=S(=O)([N-]c1ccc2nc(N3CCCC3)sc2c1)c1cccs1 ZINC000012652093 571042996 /nfs/dbraw/zinc/04/29/96/571042996.db2.gz RMHBQAQWUQHPSE-UHFFFAOYSA-N -1 0 365.505 3.759 50 0 FHAARM CCN(C)c1ccc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc1 ZINC000005261308 571073329 /nfs/dbraw/zinc/07/33/29/571073329.db2.gz ZFVGECUCVZXBDE-UNOMPAQXSA-N -1 0 363.417 3.647 50 0 FHAARM O=S(=O)([N-]c1cccnc1Nc1ccc(Cl)cc1)c1cccnc1 ZINC000084425201 571085715 /nfs/dbraw/zinc/08/57/15/571085715.db2.gz TVMMCAXBHUZWRT-UHFFFAOYSA-N -1 0 360.826 3.674 50 0 FHAARM O=S(=O)([N-]c1ccc(Cl)c2cccnc12)c1c[nH]c2ncccc12 ZINC000040158030 571088186 /nfs/dbraw/zinc/08/81/86/571088186.db2.gz ZYVJXUJROACIPW-UHFFFAOYSA-N -1 0 358.810 3.565 50 0 FHAARM C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])C1CC1 ZINC000070915453 571090675 /nfs/dbraw/zinc/09/06/75/571090675.db2.gz SBWCIRABWAINIK-OAQYLSRUSA-N -1 0 351.402 3.778 50 0 FHAARM CCOc1ccc(NC(=O)[C@@H](C)[C@H](Cc2ccc(C)cc2)C(=O)[O-])cc1 ZINC000000864902 571099051 /nfs/dbraw/zinc/09/90/51/571099051.db2.gz DIKJOESZCPAOQZ-KXBFYZLASA-N -1 0 355.434 3.912 50 0 FHAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccc(Cl)cc1)CC3 ZINC000006079043 571117665 /nfs/dbraw/zinc/11/76/65/571117665.db2.gz FJHCBHWAPYKHPR-FMIVXFBMSA-N -1 0 352.777 3.692 50 0 FHAARM Cc1ccnc(NC(=O)[C@H](C(C)C)n2c(=O)c3ccccc3[n-]c2=S)c1 ZINC000009834554 571119685 /nfs/dbraw/zinc/11/96/85/571119685.db2.gz MDBWVBOREZRXFD-INIZCTEOSA-N -1 0 368.462 3.598 50 0 FHAARM Cc1nc(-c2cccc(F)c2)sc1C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000071334599 571121730 /nfs/dbraw/zinc/12/17/30/571121730.db2.gz XTROYUZWTMEUFL-HNNXBMFYSA-N -1 0 370.405 3.813 50 0 FHAARM Cc1c(OCc2ccc(C(=O)[O-])cc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000004027989 571128020 /nfs/dbraw/zinc/12/80/20/571128020.db2.gz ZBJPWHWAPHBXPX-UHFFFAOYSA-N -1 0 350.370 3.867 50 0 biogenic FHAARM Cc1c(O[C@H](C(=O)[O-])c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000000403725 571128053 /nfs/dbraw/zinc/12/80/53/571128053.db2.gz KLLZOKTVXPUFSZ-IBGZPJMESA-N -1 0 350.370 3.795 50 0 biogenic FHAARM O=c1c2cc(F)c(Cl)cc2[n-]cc1S(=O)(=O)c1cccc(F)c1 ZINC000015829513 571130259 /nfs/dbraw/zinc/13/02/59/571130259.db2.gz VFOMYEJISJVFIY-UHFFFAOYSA-N -1 0 355.749 3.705 50 0 FHAARM CCOc1cc(/C=C/c2ncc(C(=O)[O-])s2)cc(Br)c1O ZINC000058414110 571132592 /nfs/dbraw/zinc/13/25/92/571132592.db2.gz ZNWFRPPYTSCKJT-ONEGZZNKSA-N -1 0 370.224 3.879 50 0 FHAARM O=C(c1cc(=O)c2cccc(F)c2[n-]1)N(CC1CCC1)C[C@H]1CCCO1 ZINC000253537045 571137689 /nfs/dbraw/zinc/13/76/89/571137689.db2.gz VENAONJUTGHRHD-CQSZACIVSA-N -1 0 358.413 3.501 50 0 FHAARM CCc1ccc([C@H]2COCCN2C(=O)c2ccc3[n-]c(=S)oc3c2)o1 ZINC000073827060 571138962 /nfs/dbraw/zinc/13/89/62/571138962.db2.gz BXSYPVQNNKRFBD-CQSZACIVSA-N -1 0 358.419 3.859 50 0 FHAARM C[C@H](C(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000254766634 571140044 /nfs/dbraw/zinc/14/00/44/571140044.db2.gz MULSOMSXPSGJAM-TWMBWBQTSA-N -1 0 364.526 3.698 50 0 FHAARM O=C([O-])C12CC(CNC(=O)OCC3c4ccccc4-c4ccccc43)(C1)C2 ZINC000616578767 571145377 /nfs/dbraw/zinc/14/53/77/571145377.db2.gz PYSTYCGRHGQIPE-UHFFFAOYSA-N -1 0 363.413 3.780 50 0 FHAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2ccno2)sc1C ZINC000075436512 571178839 /nfs/dbraw/zinc/17/88/39/571178839.db2.gz HFEKHCUJSFUXLQ-UHFFFAOYSA-N -1 0 364.448 3.911 50 0 FHAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cc(C)ccc3C)c(C)s2)no1 ZINC000035539127 571181196 /nfs/dbraw/zinc/18/11/96/571181196.db2.gz MOEZANAXLZROKG-UHFFFAOYSA-N -1 0 363.464 3.833 50 0 FHAARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)c(C)o2)n[nH]1 ZINC000075519085 571193281 /nfs/dbraw/zinc/19/32/81/571193281.db2.gz CKQWDBXOLRXJMF-UHFFFAOYSA-N -1 0 351.815 3.741 50 0 FHAARM COc1cccc(-c2noc(CSc3ccc(CC(=O)[O-])cc3)n2)c1 ZINC000097166023 571205540 /nfs/dbraw/zinc/20/55/40/571205540.db2.gz INAUVBXBLJINHG-UHFFFAOYSA-N -1 0 356.403 3.665 50 0 FHAARM CCOc1ccc(-c2ccnc(NCc3cccc(C)n3)n2)cc1C(=O)[O-] ZINC000077407981 571210481 /nfs/dbraw/zinc/21/04/81/571210481.db2.gz ZGVQASSIYDIMKE-UHFFFAOYSA-N -1 0 364.405 3.556 50 0 FHAARM O=C([O-])C1CC2(C1)CN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000725240467 571233165 /nfs/dbraw/zinc/23/31/65/571233165.db2.gz ICAYVJLGZAPTOS-UHFFFAOYSA-N -1 0 363.413 3.732 50 0 FHAARM O=S(=O)([N-]C[C@@H](c1ccco1)c1cccs1)c1c(F)cccc1F ZINC000585146825 571234071 /nfs/dbraw/zinc/23/40/71/571234071.db2.gz VNGGPGRNLCIERJ-NSHDSACASA-N -1 0 369.414 3.730 50 0 FHAARM Cc1ccc(NC(=O)c2ccccc2OCc2cscn2)cc1C(=O)[O-] ZINC000170045856 571260991 /nfs/dbraw/zinc/26/09/91/571260991.db2.gz AJWJTQBLASRUNK-UHFFFAOYSA-N -1 0 368.414 3.981 50 0 FHAARM C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](OS(=O)(=O)[O-])CC[C@@]43C)[C@H]1CCC2=O ZINC000253595410 571261397 /nfs/dbraw/zinc/26/13/97/571261397.db2.gz CZWCKYRVOZZJNM-WZDWFBNESA-N -1 0 368.495 3.706 50 0 FHAARM C[C@H](Nc1ccc(Cl)cc1Cl)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000170060620 571261473 /nfs/dbraw/zinc/26/14/73/571261473.db2.gz GAHGIUHMWQVKNH-BMQDGWLCSA-N -1 0 359.253 3.553 50 0 FHAARM CCc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000170090673 571262220 /nfs/dbraw/zinc/26/22/20/571262220.db2.gz NQPOBPABLXAYDC-INIZCTEOSA-N -1 0 356.447 3.853 50 0 FHAARM Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cccc(F)c3)C2)cc1 ZINC000170620214 571268785 /nfs/dbraw/zinc/26/87/85/571268785.db2.gz OITLBHKQCGUDSX-GOSISDBHSA-N -1 0 354.381 3.677 50 0 FHAARM COc1ccccc1-c1csc(NC(=O)Cc2ccccc2C(=O)[O-])n1 ZINC000071284384 571269888 /nfs/dbraw/zinc/26/98/88/571269888.db2.gz MJHSAMZCXPAUFR-UHFFFAOYSA-N -1 0 368.414 3.698 50 0 FHAARM COC(=O)c1ccc(Oc2c(C)[nH]nc2-c2ccc(OC)cc2O)cc1 ZINC000008996140 571274614 /nfs/dbraw/zinc/27/46/14/571274614.db2.gz DQZQSMAQQCQZTB-UHFFFAOYSA-N -1 0 354.362 3.678 50 0 FHAARM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000086255952 571274936 /nfs/dbraw/zinc/27/49/36/571274936.db2.gz KVCDRFYMLTZBJM-KGLIPLIRSA-N -1 0 351.402 3.731 50 0 FHAARM CC(C)n1cc(Br)cc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000236687135 571277110 /nfs/dbraw/zinc/27/71/10/571277110.db2.gz WVYWEKBIVLETJV-GFCCVEGCSA-N -1 0 371.275 3.549 50 0 FHAARM CN(C(=O)OCC1c2ccccc2-c2ccccc21)C1(C(=O)[O-])CCC1 ZINC000226780055 571277157 /nfs/dbraw/zinc/27/71/57/571277157.db2.gz FSCVZMKQHDWWQA-UHFFFAOYSA-N -1 0 351.402 3.875 50 0 FHAARM Cc1ccc2cc(C(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)[nH]c2c1 ZINC000237819214 571281597 /nfs/dbraw/zinc/28/15/97/571281597.db2.gz LZTZAPQUPZFDJO-UHFFFAOYSA-N -1 0 362.429 3.735 50 0 FHAARM C[C@H]1CN(c2ccccc2NC(=O)c2c([O-])cc(F)cc2F)C[C@H](C)O1 ZINC000066047877 571289753 /nfs/dbraw/zinc/28/97/53/571289753.db2.gz SXYLSPPRHSTDFS-RYUDHWBXSA-N -1 0 362.376 3.536 50 0 FHAARM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cnc(C4CC4)s3)cc2)co1 ZINC000585097942 571320419 /nfs/dbraw/zinc/32/04/19/571320419.db2.gz DEKLVODLPXUAEC-UHFFFAOYSA-N -1 0 361.448 3.785 50 0 FHAARM COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000013358280 571323254 /nfs/dbraw/zinc/32/32/54/571323254.db2.gz OVZVJJDRJWEPJF-UHFFFAOYSA-N -1 0 360.460 3.928 50 0 FHAARM Cc1nn(C(C)C)c(C)c1[N-]S(=O)(=O)c1cccc(COC(C)C)c1 ZINC000096183410 571334795 /nfs/dbraw/zinc/33/47/95/571334795.db2.gz FRMZAFJLQISCJP-UHFFFAOYSA-N -1 0 365.499 3.807 50 0 FHAARM CCCCc1ccc(C(=O)N[C@@H](C[C@H]2CNc3ccccc32)C(=O)[O-])cc1 ZINC000670417855 571339147 /nfs/dbraw/zinc/33/91/47/571339147.db2.gz VKODPLHWBVQGSA-PXNSSMCTSA-N -1 0 366.461 3.812 50 0 FHAARM C[C@H](NC(=O)CCCn1c(=O)c2sccc2[n-]c1=S)c1ccccc1 ZINC000002932314 571341871 /nfs/dbraw/zinc/34/18/71/571341871.db2.gz ZBZDRENTVMJRIW-LBPRGKRZSA-N -1 0 373.503 3.778 50 0 FHAARM O=C([O-])/C=C\C(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000030826583 571348844 /nfs/dbraw/zinc/34/88/44/571348844.db2.gz GUJFBGZQHDRTQI-KTKRTIGZSA-N -1 0 362.179 3.821 50 0 FHAARM C[C@@H](Oc1ccc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1)c1ccccc1 ZINC000263231353 571355150 /nfs/dbraw/zinc/35/51/50/571355150.db2.gz QNDFQUMCLHBQQE-SPYBWZPUSA-N -1 0 353.418 3.619 50 0 FHAARM CCCCOC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)[O-] ZINC000002496198 204042174 /nfs/dbraw/zinc/04/21/74/204042174.db2.gz JKLYNAGHBQDBLI-GHBBCFCZSA-N -1 0 350.414 3.938 50 0 FHAARM COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc3c[nH]nc32)cc1Cl ZINC000001427077 204005939 /nfs/dbraw/zinc/00/59/39/204005939.db2.gz RLUVSSDMIGJRAD-UHFFFAOYSA-N -1 0 372.233 3.679 50 0 FHAARM Cc1cnc([N-]C(NC(=O)CC(C)C)(C(F)(F)F)C(F)(F)F)s1 ZINC000002050499 204024792 /nfs/dbraw/zinc/02/47/92/204024792.db2.gz ONBZZTQATKKNGM-UHFFFAOYSA-N -1 0 363.327 3.847 50 0 FHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000002897153 204065899 /nfs/dbraw/zinc/06/58/99/204065899.db2.gz HARHXQFICJQJRJ-UHFFFAOYSA-N -1 0 368.414 3.605 50 0 FHAARM O=C([O-])c1cccc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)c1 ZINC000002947420 204070210 /nfs/dbraw/zinc/07/02/10/204070210.db2.gz LVIYTRZQAQCMRJ-OAHLLOKOSA-N -1 0 351.786 3.956 50 0 FHAARM CN(c1ccccc1Cl)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000003228294 204083032 /nfs/dbraw/zinc/08/30/32/204083032.db2.gz FIJFJEMTLTXRLU-UHFFFAOYSA-N -1 0 360.218 3.517 50 0 FHAARM COC(=O)c1cc(-c2cccs2)nn1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000003264913 204085445 /nfs/dbraw/zinc/08/54/45/204085445.db2.gz FIGLQDUYSOLPQB-UHFFFAOYSA-N -1 0 362.794 3.739 50 0 FHAARM O=C(OCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000003277942 204087777 /nfs/dbraw/zinc/08/77/77/204087777.db2.gz SGUPAQCXSXNHCK-UHFFFAOYSA-N -1 0 373.455 3.906 50 0 FHAARM Cc1cc(C(=O)COC(=O)c2cc(Cl)c([O-])c(Cl)c2)c(C)n1C ZINC000003326321 204090768 /nfs/dbraw/zinc/09/07/68/204090768.db2.gz 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363.457 3.992 50 0 FHAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000006887742 204279659 /nfs/dbraw/zinc/27/96/59/204279659.db2.gz BBRPKZHHMIXHLT-UHFFFAOYSA-N -1 0 358.419 3.768 50 0 FHAARM COc1cccc([N-]S(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)s2)c1 ZINC000009686636 204378019 /nfs/dbraw/zinc/37/80/19/204378019.db2.gz MZFSMASLONUKCY-UHFFFAOYSA-N -1 0 363.464 3.564 50 0 FHAARM O=C([O-])c1ccc([C@H]2CC(=O)Nc3n[nH]c(-c4ccc(Cl)cc4)c32)cc1 ZINC000009421587 204367097 /nfs/dbraw/zinc/36/70/97/204367097.db2.gz HKJDDJUPHPJONH-CQSZACIVSA-N -1 0 367.792 3.902 50 0 FHAARM O=C([O-])c1ccc(CNC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1 ZINC000012851763 204501139 /nfs/dbraw/zinc/50/11/39/204501139.db2.gz YXWUJKHBHXKKHR-UHFFFAOYSA-N -1 0 365.410 3.936 50 0 FHAARM COc1ccc(NC(=O)[C@H](C)Sc2ccccc2C(=O)[O-])cc1OC ZINC000012978310 204515190 /nfs/dbraw/zinc/51/51/90/204515190.db2.gz BWYJWJPHDPAGSZ-NSHDSACASA-N -1 0 361.419 3.521 50 0 FHAARM CCOc1ccccc1NC(=O)N1CCc2ccccc2[C@@H]1CC(=O)[O-] ZINC000015782067 204620225 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CCc1nnc(-c2csc(S(=O)(=O)[N-]c3ccccc3CC)c2)o1 ZINC000065098627 205317891 /nfs/dbraw/zinc/31/78/91/205317891.db2.gz ORFXHXSYXFZDPD-UHFFFAOYSA-N -1 0 363.464 3.724 50 0 FHAARM Cc1nnc(-c2csc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)c2)o1 ZINC000065098555 205318238 /nfs/dbraw/zinc/31/82/38/205318238.db2.gz KRZOZEBHTNKZES-UHFFFAOYSA-N -1 0 369.855 3.869 50 0 FHAARM C[C@@H]1CCc2c(sc3[nH]c(=O)c(C(=O)Nc4ccc(F)cc4)c([O-])c23)C1 ZINC000065150407 205320409 /nfs/dbraw/zinc/32/04/09/205320409.db2.gz NWQQKIBGORRDLJ-SECBINFHSA-N -1 0 372.421 3.811 50 0 FHAARM CC(C)O[C@H](C)c1nnc(SCC(=O)[O-])n1-c1ccccc1Cl ZINC000065494165 205355122 /nfs/dbraw/zinc/35/51/22/205355122.db2.gz IZZIAIKLBWHYFD-SNVBAGLBSA-N -1 0 355.847 3.583 50 0 FHAARM COc1ccc(C(C)C)cc1[C@H]1CC(=O)Nc2cc(OCC(=O)[O-])ccc21 ZINC000065501438 205355757 /nfs/dbraw/zinc/35/57/57/205355757.db2.gz XFQCSUNCZYLKIG-INIZCTEOSA-N -1 0 369.417 3.756 50 0 FHAARM O=C([O-])c1cn(-c2ccc(F)cc2)c2c1NC(=O)C[C@H]2c1ccc(F)cc1 ZINC000066087835 205362903 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Cn1c(=O)c(C(=O)Nc2ccccc2C(F)(F)F)c([O-])c2ccccc21 ZINC000100474994 205944152 /nfs/dbraw/zinc/94/41/52/205944152.db2.gz IETCOGWKPNHDCA-UHFFFAOYSA-N -1 0 362.307 3.515 50 0 FHAARM C[C@@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(Br)s1 ZINC000237452885 206103327 /nfs/dbraw/zinc/10/33/27/206103327.db2.gz NYCRKESDKFVVQF-MNOVXSKESA-N -1 0 374.300 3.718 50 0 FHAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237637559 206108246 /nfs/dbraw/zinc/10/82/46/206108246.db2.gz NKNKSJWPPYSQBB-VQTJNVASSA-N -1 0 363.457 3.744 50 0 FHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000238067749 206113444 /nfs/dbraw/zinc/11/34/44/206113444.db2.gz ILZKVTYNWPHQKS-OALUTQOASA-N -1 0 367.420 3.574 50 0 FHAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2OC2CCCC2)C1 ZINC000128509471 206123746 /nfs/dbraw/zinc/12/37/46/206123746.db2.gz JHCOIVMPOKHKDG-GFCCVEGCSA-N -1 0 351.830 3.598 50 0 FHAARM CC[C@@H](C(=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000000938065 206141788 /nfs/dbraw/zinc/14/17/88/206141788.db2.gz KNRSHAKWIYJBGT-VKHMYHEASA-N -1 0 371.003 3.759 50 0 FHAARM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000136492919 206130890 /nfs/dbraw/zinc/13/08/90/206130890.db2.gz JNUFHQJXGIFLDX-HNNXBMFYSA-N -1 0 358.463 3.815 50 0 FHAARM CCc1ccc2oc(-c3ccc(OC)cc3)c(O[C@H](C)C(=O)[O-])c(=O)c2c1 ZINC000001987736 206153327 /nfs/dbraw/zinc/15/33/27/206153327.db2.gz CTMKFNNWVARUPV-GFCCVEGCSA-N -1 0 368.385 3.883 50 0 FHAARM CCCCCOc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000003082500 206158385 /nfs/dbraw/zinc/15/83/85/206158385.db2.gz KUQAYLSYVJWZHN-UHFFFAOYSA-N -1 0 371.462 4.000 50 0 FHAARM Cc1nc2sc([C@@H](c3ccco3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000004121036 206168710 /nfs/dbraw/zinc/16/87/10/206168710.db2.gz LGBUTYWRDCVEMH-MRXNPFEDSA-N -1 0 366.446 3.546 50 0 FHAARM COC([O-])=NC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(Cl)cc1 ZINC000005145098 206190451 /nfs/dbraw/zinc/19/04/51/206190451.db2.gz OGHWQCSQANYEIT-UHFFFAOYSA-N -1 0 366.826 3.767 50 0 FHAARM CCOC(=O)[C@@H](C)Oc1ccc(Oc2coc3cc([O-])ccc3c2=O)cc1 ZINC000005901049 206199489 /nfs/dbraw/zinc/19/94/89/206199489.db2.gz OFHJBEYLFNWJLA-GFCCVEGCSA-N -1 0 370.357 3.621 50 0 biogenic FHAARM CCOc1cc(NC(=O)c2ccccc2SC)c(C(=O)[O-])cc1OC ZINC000006588606 206202227 /nfs/dbraw/zinc/20/22/27/206202227.db2.gz UODFQCCMWQJULS-UHFFFAOYSA-N -1 0 361.419 3.766 50 0 FHAARM CC(=C([O-])c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000001117123 206227292 /nfs/dbraw/zinc/22/72/92/206227292.db2.gz PQADYRGXHZCNLA-LBPRGKRZSA-N -1 0 367.264 3.803 50 0 FHAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000006623470 206243384 /nfs/dbraw/zinc/24/33/84/206243384.db2.gz WGJPKHVWJAWCCT-UHFFFAOYSA-N -1 0 367.492 3.941 50 0 FHAARM CCOC(=O)c1c(CC)c(C)sc1[N-]S(=O)(=O)c1ccccc1 ZINC000002744349 206231431 /nfs/dbraw/zinc/23/14/31/206231431.db2.gz HTAKFWPATZTAFB-UHFFFAOYSA-N -1 0 353.465 3.596 50 0 FHAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000008778957 206247672 /nfs/dbraw/zinc/24/76/72/206247672.db2.gz WJYOKVCSJRMFKN-UHFFFAOYSA-N -1 0 366.247 3.642 50 0 FHAARM Cc1nc(C=Cc2c(Cl)cccc2Cl)[nH]c(=O)c1CCC(=O)[O-] ZINC000170618838 206275941 /nfs/dbraw/zinc/27/59/41/206275941.db2.gz HAYRAPLLBLVFGT-FNORWQNLSA-N -1 0 353.205 3.573 50 0 FHAARM CCC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000012526025 206292634 /nfs/dbraw/zinc/29/26/34/206292634.db2.gz YVAJUYGDTKNICI-ZDUSSCGKSA-N -1 0 364.442 3.545 50 0 FHAARM COc1ccc(-c2c/c(=N\[C@H](C)C(=O)[O-])c3cc(C)ccc3o2)cc1OC ZINC000019911683 206328302 /nfs/dbraw/zinc/32/83/02/206328302.db2.gz DCGNPHYKMHEHGQ-GHOZOMOVSA-N -1 0 367.401 3.799 50 0 FHAARM CC[C@@]1(CO)CCCN(c2nc(-c3ccc(C)s3)ccc2C(=O)[O-])C1 ZINC000091951242 132205009 /nfs/dbraw/zinc/20/50/09/132205009.db2.gz SIIWZUNAUIPKCO-LJQANCHMSA-N -1 0 360.479 3.806 50 0 FHAARM COc1ccc(C(=O)Nc2ccc(N3CCC[C@H](C)C3)cc2C(=O)[O-])cc1 ZINC000064589109 136133332 /nfs/dbraw/zinc/13/33/32/136133332.db2.gz TXMGBWYINDJDSD-AWEZNQCLSA-N -1 0 368.433 3.882 50 0 FHAARM O=C([O-])C1CCN(c2ccc(SCc3ccc(Cl)cc3)nn2)CC1 ZINC000071289433 136138879 /nfs/dbraw/zinc/13/88/79/136138879.db2.gz OLUHENVBYULOCM-UHFFFAOYSA-N -1 0 363.870 3.723 50 0 FHAARM O=C([O-])[C@@]1(Cc2ccccc2F)CCCN(c2nccc3occc32)C1 ZINC000071721304 136139899 /nfs/dbraw/zinc/13/98/99/136139899.db2.gz JYPUKUQTYHXBAU-HXUWFJFHSA-N -1 0 354.381 3.881 50 0 FHAARM COC(=O)c1ccc(/C=C/c2cc(C(=O)[O-])c3cnn(C(C)C)c3n2)cc1 ZINC000328593188 533957690 /nfs/dbraw/zinc/95/76/90/533957690.db2.gz UFQCOTPNBUADIY-RMKNXTFCSA-N -1 0 365.389 3.667 50 0 FHAARM Cc1oc(CN(C)C(=O)[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)cc1C(=O)[O-] ZINC000299748089 526768481 /nfs/dbraw/zinc/76/84/81/526768481.db2.gz FYFXHLSQFRWYJC-IEBWSBKVSA-N -1 0 371.433 3.721 50 0 FHAARM O=C([O-])C1CCC(NC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC000299742715 527563357 /nfs/dbraw/zinc/56/33/57/527563357.db2.gz IPNRSEXYAZRXGD-QUINOFQRSA-N -1 0 355.356 3.569 50 0 FHAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccccc2)C(=Nc2ccc(Cl)cc2)S1 ZINC000000708785 568115547 /nfs/dbraw/zinc/11/55/47/568115547.db2.gz WNATZJUNQNGPRL-HNNXBMFYSA-N -1 0 374.849 3.946 50 0 FHAARM O=C([O-])C[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000622107 570438751 /nfs/dbraw/zinc/43/87/51/570438751.db2.gz ZNIGOUDZWCDFFC-CQSZACIVSA-N -1 0 351.402 3.875 50 0 FHAARM Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc(F)cc3)C2)cc1 ZINC000000710129 570451674 /nfs/dbraw/zinc/45/16/74/570451674.db2.gz CNPVJIZYGXQTGV-SFHVURJKSA-N -1 0 354.381 3.677 50 0 FHAARM CSCc1ccc(C(=O)N2CC[C@H](Cc3cccc(C(=O)[O-])c3)C2)o1 ZINC000095367441 570455373 /nfs/dbraw/zinc/45/53/73/570455373.db2.gz DYBSKDTUTLASGA-CQSZACIVSA-N -1 0 359.447 3.546 50 0 FHAARM CC(C)CCn1cc([C@H](C(=O)[O-])N(C)Cc2ccnc3ccccc23)cn1 ZINC000095372387 570456488 /nfs/dbraw/zinc/45/64/88/570456488.db2.gz VDAKBQZAMYDPRT-HXUWFJFHSA-N -1 0 366.465 3.735 50 0 FHAARM Cc1ccc(-c2cc(C(=O)N[C@H](CC(=O)[O-])c3ccc(F)cc3)[nH]n2)s1 ZINC000095498934 570462148 /nfs/dbraw/zinc/46/21/48/570462148.db2.gz LUHOTZQHHDKTEF-CYBMUJFWSA-N -1 0 373.409 3.532 50 0 FHAARM O=C([O-])[C@H]1CS[C@@H](c2ccccc2Cl)N1C(=O)c1ccccc1F ZINC000000974394 570467115 /nfs/dbraw/zinc/46/71/15/570467115.db2.gz IHTFQSGSXXUYSH-ZBFHGGJFSA-N -1 0 365.813 3.820 50 0 FHAARM O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1Cl ZINC000001006256 570471005 /nfs/dbraw/zinc/47/10/05/570471005.db2.gz RDEOSSCXSIFDRJ-QGZVFWFLSA-N -1 0 356.809 3.883 50 0 FHAARM COc1cc(NC(=O)Cc2cccc3ccccc32)c(C(=O)[O-])cc1OC ZINC000001057024 570478278 /nfs/dbraw/zinc/47/82/78/570478278.db2.gz PSEZIXVNNZDAFY-UHFFFAOYSA-N -1 0 365.385 3.736 50 0 FHAARM CC[C@H](C)OC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000248007815 570482299 /nfs/dbraw/zinc/48/22/99/570482299.db2.gz WHHXWBHRQQABQQ-NUEKZKHPSA-N -1 0 359.422 3.556 50 0 FHAARM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc2ccccc2c1 ZINC000001158611 570485639 /nfs/dbraw/zinc/48/56/39/570485639.db2.gz BOPDOPYBOBPKCM-UHFFFAOYSA-N -1 0 364.426 3.973 50 0 FHAARM C[C@H](c1ccon1)N(C)Cc1ccc(OCc2ccc(C(=O)[O-])o2)cc1 ZINC000097259330 570486065 /nfs/dbraw/zinc/48/60/65/570486065.db2.gz SZYMAIWEHBBBLP-CYBMUJFWSA-N -1 0 356.378 3.738 50 0 FHAARM Cc1ccc(NC(=O)c2c([O-])c3ccccc3n(CC(C)C)c2=O)cc1 ZINC000100470836 570504548 /nfs/dbraw/zinc/50/45/48/570504548.db2.gz OCYXHDZUAQHXQF-UHFFFAOYSA-N -1 0 350.418 3.924 50 0 FHAARM COC(=O)c1[n-]c(=NC(=O)c2nc(C)sc2C(C)C)sc1C(C)C ZINC000072402668 570549664 /nfs/dbraw/zinc/54/96/64/570549664.db2.gz BUTOBWCSFCKOBH-UHFFFAOYSA-N -1 0 367.496 3.616 50 0 FHAARM CCSc1n[n-]c2nc3c(c(=O)n12)C1(CCCCC1)Cc1ccccc1-3 ZINC000100512568 570565897 /nfs/dbraw/zinc/56/58/97/570565897.db2.gz CVAFMZFGNMLJEQ-UHFFFAOYSA-N -1 0 366.490 3.955 50 0 FHAARM CC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc21 ZINC000005136445 570589738 /nfs/dbraw/zinc/58/97/38/570589738.db2.gz SBAZNVJZEBCVHP-UHFFFAOYSA-N -1 0 370.883 3.501 50 0 FHAARM Cc1ccc([C@@H]2CCN(C(=O)N=c3ncn(C4CCCCC4)[n-]3)C2)c(C)c1 ZINC000329960202 570690095 /nfs/dbraw/zinc/69/00/95/570690095.db2.gz QZGHAUVJJVRFEF-QGZVFWFLSA-N -1 0 367.497 3.843 50 0 FHAARM CCOc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)c(OCC)cc1C ZINC000011613853 570704036 /nfs/dbraw/zinc/70/40/36/570704036.db2.gz CGNKUPVATPFKKG-UHFFFAOYSA-N -1 0 353.415 3.732 50 0 FHAARM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)s3)c2)n1 ZINC000032592387 570750279 /nfs/dbraw/zinc/75/02/79/570750279.db2.gz XHAWODNPKZPXCZ-UHFFFAOYSA-N -1 0 365.867 3.968 50 0 FHAARM Cc1nn(Cc2c(F)cccc2Cl)c(C)c1NC(=O)CCCC(=O)[O-] ZINC000012649288 570755348 /nfs/dbraw/zinc/75/53/48/570755348.db2.gz CADRSJVNWPIFIC-UHFFFAOYSA-N -1 0 367.808 3.534 50 0 FHAARM Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccccc3C(=O)[O-])c12 ZINC000012990908 570770736 /nfs/dbraw/zinc/77/07/36/570770736.db2.gz VKQCAHXPBGLINT-UHFFFAOYSA-N -1 0 363.329 3.742 50 0 FHAARM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccccc2C(N)=O)c1Cl ZINC000013058177 570772795 /nfs/dbraw/zinc/77/27/95/570772795.db2.gz UGFNPYHWVPKITD-UHFFFAOYSA-N -1 0 373.261 3.510 50 0 FHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000013468160 570778104 /nfs/dbraw/zinc/77/81/04/570778104.db2.gz PIOMBFGYBHQXIW-IRXDYDNUSA-N -1 0 361.401 3.631 50 0 FHAARM O=C([O-])[C@@]12CC[C@@H]1CN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000708324232 570804694 /nfs/dbraw/zinc/80/46/94/570804694.db2.gz BYEWVSCMZIHATN-JLCFBVMHSA-N -1 0 363.413 3.732 50 0 FHAARM Cc1[nH]c2[n-]n(-c3ccccc3)c(=O)c2c(=O)c1Cc1ccc(Cl)cc1 ZINC000018240739 570815924 /nfs/dbraw/zinc/81/59/24/570815924.db2.gz FRCLADKYCGXJII-UHFFFAOYSA-N -1 0 365.820 3.560 50 0 FHAARM Cn1c(=O)c(-c2nc(-c3ccc(Cl)c(F)c3)no2)c([O-])c2ccccc21 ZINC000101681152 570822537 /nfs/dbraw/zinc/82/25/37/570822537.db2.gz OVMDMJXQNDJMFL-UHFFFAOYSA-N -1 0 371.755 3.754 50 0 FHAARM Cn1c(=O)c(-c2nc(-c3cccc(Cl)c3)no2)c([O-])c2ccccc21 ZINC000101725619 570822810 /nfs/dbraw/zinc/82/28/10/570822810.db2.gz XOZNVWUUFBXLPM-UHFFFAOYSA-N -1 0 353.765 3.615 50 0 FHAARM CCn1c(=O)c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2[n-]c1=S ZINC000102333700 570830575 /nfs/dbraw/zinc/83/05/75/570830575.db2.gz XTXLXTVMELANIQ-UHFFFAOYSA-N -1 0 353.447 3.574 50 0 FHAARM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000016125237 570850670 /nfs/dbraw/zinc/85/06/70/570850670.db2.gz NGTVUZBHFKBHPC-UHFFFAOYSA-N -1 0 369.389 3.723 50 0 FHAARM Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1C ZINC000101260331 570859729 /nfs/dbraw/zinc/85/97/29/570859729.db2.gz OFGUCQMPCWBOCQ-DLBZAZTESA-N -1 0 368.824 3.763 50 0 FHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1sccc1C(=O)Nc1ccccc1 ZINC000017075878 570867708 /nfs/dbraw/zinc/86/77/08/570867708.db2.gz BXNNQRXDPDUGMO-KBPBESRZSA-N -1 0 370.430 3.606 50 0 FHAARM CCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c([O-])c(Cl)c3)C2=N)S1 ZINC000001219397 570881467 /nfs/dbraw/zinc/88/14/67/570881467.db2.gz DNJPEVXZGAPYLR-MMPJLAELSA-N -1 0 369.233 3.728 50 0 FHAARM Cc1ccc(N=C2S[C@H](CC(=O)[O-])C(=O)N2c2ccc(C)cc2)cc1 ZINC000012136828 570889924 /nfs/dbraw/zinc/88/99/24/570889924.db2.gz HMTMTHUUFQSRFI-MRXNPFEDSA-N -1 0 354.431 3.914 50 0 FHAARM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl ZINC000071973984 570910530 /nfs/dbraw/zinc/91/05/30/570910530.db2.gz WLRYYNASTAOHRJ-UHFFFAOYSA-N -1 0 353.827 3.962 50 0 FHAARM O=c1[nH]c(C[P@@](=O)([O-])CCc2ccccc2)nc2cc(Cl)ccc12 ZINC000020723426 570924125 /nfs/dbraw/zinc/92/41/25/570924125.db2.gz DOUZEBBEOJXHAI-UHFFFAOYSA-N -1 0 362.753 3.590 50 0 FHAARM Oc1ccc(-c2n[n-]c(=S)n2-c2ccc(OC(F)(F)F)cc2)c(O)c1 ZINC000020745375 570925139 /nfs/dbraw/zinc/92/51/39/570925139.db2.gz LRSDNAKKCLKEFH-UHFFFAOYSA-N -1 0 369.324 3.907 50 0 FHAARM O=C([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H](OCc2ccccn2)C1 ZINC000103252336 570984882 /nfs/dbraw/zinc/98/48/82/570984882.db2.gz NBGRERFNOKZQLO-AWEZNQCLSA-N -1 0 366.339 3.594 50 0 in-vitro FHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000025209936 570992351 /nfs/dbraw/zinc/99/23/51/570992351.db2.gz KFAOUBUKXMLSPY-GJZGRUSLSA-N -1 0 370.430 3.606 50 0 FHAARM CN(C)c1nc2cc(C(=O)[O-])sc2n1-c1ccc(Br)cc1 ZINC000032627001 571059030 /nfs/dbraw/zinc/05/90/30/571059030.db2.gz UMHKWEVMUSNGCY-UHFFFAOYSA-N -1 0 366.240 3.614 50 0 FHAARM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000035592601 571077532 /nfs/dbraw/zinc/07/75/32/571077532.db2.gz AZNZJTIRAASRLR-UHFFFAOYSA-N -1 0 355.843 3.978 50 0 FHAARM Cc1cc(S(=O)(=O)N(C)c2ccc(C(C)(C)C)cc2)sc1C(=O)[O-] ZINC000071820745 571091710 /nfs/dbraw/zinc/09/17/10/571091710.db2.gz DNEAYXUPUIVIRT-UHFFFAOYSA-N -1 0 367.492 3.877 50 0 FHAARM O=C(c1c([O-])cc(F)cc1F)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000084600319 571092192 /nfs/dbraw/zinc/09/21/92/571092192.db2.gz WTLZMOJRVCADNZ-LLVKDONJSA-N -1 0 358.344 3.831 50 0 FHAARM CCOc1ccc(NC(=O)[C@H](C)[C@@H](Cc2ccc(C)cc2)C(=O)[O-])cc1 ZINC000000864901 571099184 /nfs/dbraw/zinc/09/91/84/571099184.db2.gz DIKJOESZCPAOQZ-DNVCBOLYSA-N -1 0 355.434 3.912 50 0 FHAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cccs1 ZINC000000869006 571106143 /nfs/dbraw/zinc/10/61/43/571106143.db2.gz WOFDVMZHISOGRV-AWEZNQCLSA-N -1 0 362.838 3.944 50 0 FHAARM CC[C@H](C)N(CC(=O)[O-])Cc1coc(-c2ccc(Br)cc2)n1 ZINC000236965129 571106277 /nfs/dbraw/zinc/10/62/77/571106277.db2.gz JMGFFZBNVAYTQV-NSHDSACASA-N -1 0 367.243 3.789 50 0 FHAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000239762177 571108622 /nfs/dbraw/zinc/10/86/22/571108622.db2.gz CLCRVKCEKMEWOR-KRWDZBQOSA-N -1 0 356.809 3.883 50 0 FHAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cccc(C2SCCCS2)c1 ZINC000018708301 571122557 /nfs/dbraw/zinc/12/25/57/571122557.db2.gz SCIXOAACDKJXRP-UHFFFAOYSA-N -1 0 369.537 3.696 50 0 FHAARM CCSCCN(C(=O)c1[nH]c(C)c(C(=O)[O-])c1C)C1CCCCC1 ZINC000252481513 571131482 /nfs/dbraw/zinc/13/14/82/571131482.db2.gz CNIOSRSDCZJVNJ-UHFFFAOYSA-N -1 0 352.500 3.858 50 0 FHAARM O=C([O-])CCCCCNC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000072401243 571135037 /nfs/dbraw/zinc/13/50/37/571135037.db2.gz SGLXRFGKIHGRAS-UHFFFAOYSA-N -1 0 363.417 3.672 50 0 FHAARM O=c1nc(CN2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)[n-]c2ccsc21 ZINC000253536386 571137611 /nfs/dbraw/zinc/13/76/11/571137611.db2.gz DPNPGWFCMXEPLP-CQSZACIVSA-N -1 0 369.425 3.749 50 0 FHAARM CCOC(=O)CN(C(=O)c1ccc2[n-]c(=S)oc2c1)C1CCCCC1 ZINC000073819430 571139087 /nfs/dbraw/zinc/13/90/87/571139087.db2.gz CECMUIPKZRKYLQ-UHFFFAOYSA-N -1 0 362.451 3.828 50 0 FHAARM CC/N=C1/S/C(=C\c2ccc(-c3ccccc3C(=O)[O-])o2)C(=O)N1CC ZINC000036108123 571141937 /nfs/dbraw/zinc/14/19/37/571141937.db2.gz RTHXJVOHIQUBEZ-NIPZQEADSA-N -1 0 370.430 3.957 50 0 FHAARM COc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])n2)cc1 ZINC000001003145 571142940 /nfs/dbraw/zinc/14/29/40/571142940.db2.gz HMYHUDKAKYRGNH-ZIAGYGMSSA-N -1 0 360.435 3.648 50 0 FHAARM CC1(C)CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(=O)[O-] ZINC000709858513 571151328 /nfs/dbraw/zinc/15/13/28/571151328.db2.gz XRDYTCJCKUWDRX-GOSISDBHSA-N -1 0 351.402 3.731 50 0 FHAARM Cc1nn2c(nccc2-c2c([O-])cc(C)oc2=O)c1-c1cccc(Cl)c1 ZINC000071376315 571161084 /nfs/dbraw/zinc/16/10/84/571161084.db2.gz ZACZKPJRQNLHLU-UHFFFAOYSA-N -1 0 367.792 3.992 50 0 FHAARM Cc1cc(-c2nc3ccccc3s2)ccc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000033169114 571161606 /nfs/dbraw/zinc/16/16/06/571161606.db2.gz GXTSOOQOVPAXMA-UHFFFAOYSA-N -1 0 370.459 3.796 50 0 FHAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000265577605 571162203 /nfs/dbraw/zinc/16/22/03/571162203.db2.gz MKEDPZQIPDVKLV-IKGGRYGDSA-N -1 0 368.433 3.519 50 0 FHAARM Cc1c2cc(C)cc(CNC(=O)c3cc(=O)[nH][n-]3)c2[nH]c1-c1ccccc1 ZINC000071752609 571164886 /nfs/dbraw/zinc/16/48/86/571164886.db2.gz OGLBSSDTKMOCAV-UHFFFAOYSA-N -1 0 360.417 3.810 50 0 FHAARM CN(C)c1ccc(-c2nc3cnccn3c2Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000035476605 571171582 /nfs/dbraw/zinc/17/15/82/571171582.db2.gz CBWNVULOFGKJEE-UHFFFAOYSA-N -1 0 373.416 3.904 50 0 FHAARM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1)C1CC1 ZINC000012526409 571174612 /nfs/dbraw/zinc/17/46/12/571174612.db2.gz IRZDBTRXNPQQMJ-UHFFFAOYSA-N -1 0 368.817 3.628 50 0 FHAARM CC[C@@H](C)Oc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000001225206 571176142 /nfs/dbraw/zinc/17/61/42/571176142.db2.gz MLFFJCKWKRJXAX-CYBMUJFWSA-N -1 0 357.435 3.608 50 0 FHAARM Cc1nnc(-c2csc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)o1 ZINC000035527623 571181425 /nfs/dbraw/zinc/18/14/25/571181425.db2.gz OURUEXLXYBSBOY-UHFFFAOYSA-N -1 0 355.828 3.561 50 0 FHAARM Cc1ccc(-c2noc(-c3c([O-])c4ccc(F)cc4[nH]c3=O)n2)c(C)c1 ZINC000075536656 571195331 /nfs/dbraw/zinc/19/53/31/571195331.db2.gz NVCQBWIHZIPFDT-UHFFFAOYSA-N -1 0 351.337 3.707 50 0 FHAARM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccccc2Br)N1 ZINC000004012521 571204102 /nfs/dbraw/zinc/20/41/02/571204102.db2.gz KWMNDHRTULLQGP-HOTGVXAUSA-N -1 0 371.234 3.619 50 0 biogenic FHAARM COc1cccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)[O-])c1 ZINC000089469796 571204501 /nfs/dbraw/zinc/20/45/01/571204501.db2.gz DCQZESWYZANJMA-LJQANCHMSA-N -1 0 366.417 3.628 50 0 FHAARM COc1ccc(-c2noc([C@@H](C)Oc3ccc(CC(=O)[O-])cc3)n2)cc1 ZINC000097165983 571205404 /nfs/dbraw/zinc/20/54/04/571205404.db2.gz XZEWFBSVCFYZFJ-GFCCVEGCSA-N -1 0 354.362 3.512 50 0 FHAARM C[C@H](NC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S)C1CC1 ZINC000012632515 571211295 /nfs/dbraw/zinc/21/12/95/571211295.db2.gz DGXZRYHSYAMKJM-ZDUSSCGKSA-N -1 0 359.495 3.534 50 0 FHAARM Cc1ccc(F)c(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1Cl ZINC000091445217 571239927 /nfs/dbraw/zinc/23/99/27/571239927.db2.gz OHXCXPGFPAYCIZ-UONOGXRCSA-N -1 0 361.800 3.728 50 0 FHAARM Cc1[nH]c2ccc(C(=O)N3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)cc2c1C ZINC000091563082 571240461 /nfs/dbraw/zinc/24/04/61/571240461.db2.gz FUUYKZKGQSZGSG-RBUKOAKNSA-N -1 0 362.429 3.725 50 0 FHAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2csc(C(C)C)c2)C1 ZINC000091651505 571241784 /nfs/dbraw/zinc/24/17/84/571241784.db2.gz CBDXSXLRYOWCRF-SFHVURJKSA-N -1 0 353.484 3.605 50 0 FHAARM CCCc1ccc(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC000170594915 571266335 /nfs/dbraw/zinc/26/63/35/571266335.db2.gz HHPRBONRZCOLPT-AWEZNQCLSA-N -1 0 361.463 3.703 50 0 FHAARM CCCn1c(=O)c2ccccc2nc1SCc1ccc(C(=O)[O-])cc1 ZINC000013236789 571277146 /nfs/dbraw/zinc/27/71/46/571277146.db2.gz SRUXFFYKLFNVCW-UHFFFAOYSA-N -1 0 354.431 3.797 50 0 FHAARM COc1ccc(-c2nc3n(n2)[C@](C)(CCC(=O)[O-])Nc2ccccc2-3)cc1 ZINC000253432843 571316545 /nfs/dbraw/zinc/31/65/45/571316545.db2.gz ORLVFXMZKCBNNT-HXUWFJFHSA-N -1 0 364.405 3.584 50 0 FHAARM O=S(=O)([N-]c1ccccc1OC1CCCC1)c1c[nH]c2ncccc12 ZINC000057118840 571318914 /nfs/dbraw/zinc/31/89/14/571318914.db2.gz SUXOHWGICZRJPV-UHFFFAOYSA-N -1 0 357.435 3.685 50 0 FHAARM CC1=Nc2c(c(=O)[nH]n2C2CCOCC2)[C@H](c2ccc(C(=O)[O-])cc2)S1 ZINC000095477142 571330927 /nfs/dbraw/zinc/33/09/27/571330927.db2.gz DGLMQRIHKNGYDW-HNNXBMFYSA-N -1 0 373.434 3.525 50 0 FHAARM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1O)c1cccc(F)c1F ZINC000095982806 571333390 /nfs/dbraw/zinc/33/33/90/571333390.db2.gz DOMJWUZVJFAQNZ-UHFFFAOYSA-N -1 0 354.161 3.778 50 0 FHAARM CC(=O)c1ccc(OCCCC(=O)NCCCCCCCC(=O)[O-])cc1 ZINC000095991952 571333536 /nfs/dbraw/zinc/33/35/36/571333536.db2.gz JKZRKDTWLDYSQC-UHFFFAOYSA-N -1 0 363.454 3.590 50 0 FHAARM O=C([O-])CCCn1c(=O)c2ccccc2nc1/C=C\c1ccccc1F ZINC000096158003 571334749 /nfs/dbraw/zinc/33/47/49/571334749.db2.gz BNCKGZRRSPDOHV-QXMHVHEDSA-N -1 0 352.365 3.571 50 0 FHAARM COc1cc(-c2coc3ccc(OCC(=O)[O-])cc32)cc(OC)c1OC ZINC000096221506 571334828 /nfs/dbraw/zinc/33/48/28/571334828.db2.gz QXXJZURTCQTMBR-UHFFFAOYSA-N -1 0 358.346 3.589 50 0 FHAARM O=C([O-])c1ccccc1Cc1sc(Nc2ccc(Cl)cc2)nc1O ZINC000096306116 571335169 /nfs/dbraw/zinc/33/51/69/571335169.db2.gz ORGPSMOJSKJOQD-AWEZNQCLSA-N -1 0 360.822 3.691 50 0 FHAARM Cc1[nH]c(-c2nnc(C3CC3)o2)c(C)c1S(=O)(=O)[N-]c1ccccc1C ZINC000096379477 571335519 /nfs/dbraw/zinc/33/55/19/571335519.db2.gz BLKMVPKKXYRCGS-UHFFFAOYSA-N -1 0 372.450 3.668 50 0 FHAARM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(-c2ccc(Cl)nn2)s1 ZINC000021727918 571335939 /nfs/dbraw/zinc/33/59/39/571335939.db2.gz XTRUZTTUONQGEJ-UHFFFAOYSA-N -1 0 369.830 3.798 50 0 FHAARM CCCCCNC(=O)CCCCCn1c(=O)c2sccc2[n-]c1=S ZINC000002925553 571341809 /nfs/dbraw/zinc/34/18/09/571341809.db2.gz NYNIQGXRIILQQQ-UHFFFAOYSA-N -1 0 367.540 3.987 50 0 FHAARM O=C(CCn1c(=O)c2sccc2[n-]c1=S)NCCC1=CCCCC1 ZINC000002932390 571341918 /nfs/dbraw/zinc/34/19/18/571341918.db2.gz BXQAHGSZRRKLLI-UHFFFAOYSA-N -1 0 363.508 3.517 50 0 FHAARM COc1cc2c(cc1OC)-c1c(c(C(=O)[O-])nn1-c1cccc(Cl)c1)C2 ZINC000032088106 571355441 /nfs/dbraw/zinc/35/54/41/571355441.db2.gz WHMZCRHIJINJLL-UHFFFAOYSA-N -1 0 370.792 3.812 50 0 FHAARM O=C([O-])[C@@H](NC(=O)/C=C/c1cccc(Cl)c1Cl)c1ccccc1 ZINC000170676092 939032775 /nfs/dbraw/zinc/03/27/75/939032775.db2.gz UJCMGRZSMRJILX-SCOAYWHSSA-N -1 0 350.201 3.949 50 0 FHAARM CC(C)c1csc([C@H]2CCCN(C(=O)N=c3ccc(C4CC4)n[n-]3)C2)n1 ZINC000333146710 945308680 /nfs/dbraw/zinc/30/86/80/945308680.db2.gz GHTALUMZTBPWCJ-AWEZNQCLSA-N -1 0 371.510 3.767 50 0 FHAARM CC(C)(NC(=O)c1s[n-]c(=O)c1Cl)c1nc(C(F)(F)F)cs1 ZINC000888092983 948381021 /nfs/dbraw/zinc/38/10/21/948381021.db2.gz UMSAYECPICMBCC-UHFFFAOYSA-N -1 0 371.793 3.643 50 0 FHAARM CCc1nnc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])s1 ZINC000001125445 219374832 /nfs/dbraw/zinc/37/48/32/219374832.db2.gz ZOBFDGGRNBOKCA-UHFFFAOYSA-N -1 0 353.403 3.718 50 0 FHAARM Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)[O-])c2ccccc12 ZINC000011691688 219926515 /nfs/dbraw/zinc/92/65/15/219926515.db2.gz ILHRCFGTIQCELS-UHFFFAOYSA-N -1 0 355.415 3.672 50 0 FHAARM Cc1ccc2c(c1)c1c(n2CCC(=O)[O-])CCN(C(=O)OC(C)(C)C)C1 ZINC000306147556 203919588 /nfs/dbraw/zinc/91/95/88/203919588.db2.gz WWQIGJXEMJRYAV-UHFFFAOYSA-N -1 0 358.438 3.718 50 0 FHAARM CCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000000687824 203943065 /nfs/dbraw/zinc/94/30/65/203943065.db2.gz CBRCEIHZFOTZBV-UHFFFAOYSA-N -1 0 366.870 3.507 50 0 FHAARM Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000000694557 203944112 /nfs/dbraw/zinc/94/41/12/203944112.db2.gz MJXLYXLPRPHOGV-UHFFFAOYSA-N -1 0 373.459 3.505 50 0 FHAARM CCCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000002486632 204040734 /nfs/dbraw/zinc/04/07/34/204040734.db2.gz GLKFRBLCHHSNLL-QWHCGFSZSA-N -1 0 367.467 3.761 50 0 FHAARM O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385645 204036036 /nfs/dbraw/zinc/03/60/36/204036036.db2.gz QLKUZDLPWHCYAO-KRWDZBQOSA-N -1 0 373.355 3.730 50 0 FHAARM Cc1c2ccc(OCc3cccc(Cl)c3)cc2oc(=O)c1CC(=O)[O-] ZINC000002369582 204036309 /nfs/dbraw/zinc/03/63/09/204036309.db2.gz FWOQAKPMGVVGEX-UHFFFAOYSA-N -1 0 358.777 3.961 50 0 FHAARM O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000003227317 204082946 /nfs/dbraw/zinc/08/29/46/204082946.db2.gz IZEATXHGLJMWIR-RMKNXTFCSA-N -1 0 371.336 3.604 50 0 FHAARM COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000002555038 204044439 /nfs/dbraw/zinc/04/44/39/204044439.db2.gz NEUHEEDQLRFEIM-AWEZNQCLSA-N -1 0 369.483 3.685 50 0 FHAARM O=C([O-])[C@H]1CCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002583307 204045280 /nfs/dbraw/zinc/04/52/80/204045280.db2.gz KTLDVIJVCPIJCM-PKOBYXMFSA-N -1 0 351.402 3.778 50 0 FHAARM O=C([O-])[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000002568207 204045363 /nfs/dbraw/zinc/04/53/63/204045363.db2.gz FINXGQXNIBNREL-AWEZNQCLSA-N -1 0 351.402 3.732 50 0 FHAARM O=C([O-])CCCCCCC(=O)c1ccc(I)cc1 ZINC000002579892 204045401 /nfs/dbraw/zinc/04/54/01/204045401.db2.gz GAYVFLJPVCGUSY-UHFFFAOYSA-N -1 0 360.191 3.899 50 0 FHAARM CN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)c2cc(Br)ccc21 ZINC000003323214 204091464 /nfs/dbraw/zinc/09/14/64/204091464.db2.gz VHUNHMHUNCOJPE-ZSOIEALJSA-N -1 0 358.191 3.664 50 0 FHAARM CCCc1cc(C(=O)OCC)c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])s1 ZINC000002767481 204055959 /nfs/dbraw/zinc/05/59/59/204055959.db2.gz FKWCOLVJWHZVLL-STQMWFEESA-N -1 0 367.467 3.707 50 0 FHAARM Cc1cc(C(F)(F)F)nn1CCCn1c(=O)c2ccccc2[n-]c1=S ZINC000002791901 204058859 /nfs/dbraw/zinc/05/88/59/204058859.db2.gz FQTDVXOMCCWKIL-UHFFFAOYSA-N -1 0 368.384 3.673 50 0 FHAARM CCc1ccc(OCC(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000003626955 204109767 /nfs/dbraw/zinc/10/97/67/204109767.db2.gz ITISSYCYPZDLSB-QGZVFWFLSA-N -1 0 361.825 3.613 50 0 FHAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)COc2ccccc2C(C)C)cc1 ZINC000003627378 204109810 /nfs/dbraw/zinc/10/98/10/204109810.db2.gz AHKSJSMVGFIXPN-SFHVURJKSA-N -1 0 371.433 3.530 50 0 FHAARM O=C([O-])c1cnn(-c2nc(-c3ccccc3F)cs2)c1C(F)(F)F ZINC000004092898 204121242 /nfs/dbraw/zinc/12/12/42/204121242.db2.gz XOEUXDKENFOJEL-UHFFFAOYSA-N -1 0 357.288 3.852 50 0 FHAARM O=C1[N-]C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)N1 ZINC000004123302 204123000 /nfs/dbraw/zinc/12/30/00/204123000.db2.gz PIAXNVBUZPYAGZ-CXUHLZMHSA-N -1 0 351.793 3.523 50 0 FHAARM O=C([O-])/C(=C\c1ccc(O)cc1)NC(=O)c1ccc(Cl)cc1Cl ZINC000004226142 204127752 /nfs/dbraw/zinc/12/77/52/204127752.db2.gz IOSHNKLUYQFSGX-VGOFMYFVSA-N -1 0 352.173 3.555 50 0 FHAARM Cc1ccc(S(=O)(=O)c2nc([N-]c3nncs3)sc2Cl)cc1 ZINC000004841831 204169851 /nfs/dbraw/zinc/16/98/51/204169851.db2.gz DVPVQEFQMDIRHM-UHFFFAOYSA-N -1 0 372.884 3.533 50 0 FHAARM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)Cc2ccc(F)cc2)cc1 ZINC000004600852 204150402 /nfs/dbraw/zinc/15/04/02/204150402.db2.gz UQPJPMNXHOLSNM-SFHVURJKSA-N -1 0 357.425 3.998 50 0 FHAARM Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(S(=O)(=O)[O-])c1 ZINC000004659199 204152464 /nfs/dbraw/zinc/15/24/64/204152464.db2.gz IWFFTESYXGHMNH-UHFFFAOYSA-N -1 0 360.218 3.801 50 0 FHAARM CC1(C)[C@@H](C(=O)Nc2ccc(Br)cc2)CC[C@]1(C)C(=O)[O-] ZINC000004670533 204153188 /nfs/dbraw/zinc/15/31/88/204153188.db2.gz NAQKTSMBPWSBHC-MLGOLLRUSA-N -1 0 354.244 3.915 50 0 FHAARM O=C([O-])CCC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 ZINC000005042925 204187068 /nfs/dbraw/zinc/18/70/68/204187068.db2.gz JLULDRWPVOVHHE-LAYKLUKMSA-N -1 0 368.389 3.860 50 0 FHAARM O=C([O-])CCC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1 ZINC000005042922 204187232 /nfs/dbraw/zinc/18/72/32/204187232.db2.gz JLULDRWPVOVHHE-KVYFGWCZSA-N -1 0 368.389 3.860 50 0 FHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000005214482 204198675 /nfs/dbraw/zinc/19/86/75/204198675.db2.gz KVRGSZVKGSEQSM-UHFFFAOYSA-N -1 0 356.241 3.649 50 0 FHAARM 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/nfs/dbraw/zinc/44/00/61/570440061.db2.gz ALFBLQJAAFEFCE-JKSUJKDBSA-N -1 0 372.465 3.579 50 0 FHAARM O=S(=O)(Nc1cc(F)ccc1F)c1ccc(Br)c(F)c1 ZINC000095067869 570451202 /nfs/dbraw/zinc/45/12/02/570451202.db2.gz OLZAFIIIMLJDDU-UHFFFAOYSA-N -1 0 366.158 3.667 50 0 FHAARM Cc1cc(F)cc(NS(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC000095067882 570451438 /nfs/dbraw/zinc/45/14/38/570451438.db2.gz ZUDFCBBKEDMJRE-UHFFFAOYSA-N -1 0 362.195 3.837 50 0 FHAARM COc1ccccc1[C@@H]1CC(c2ccc(C)cc2)=NN1C(=O)CCC(=O)[O-] ZINC000000710163 570452051 /nfs/dbraw/zinc/45/20/51/570452051.db2.gz CVGIZOLHOJRPAB-SFHVURJKSA-N -1 0 366.417 3.546 50 0 FHAARM O=C([O-])[C@H](c1cc2ccccc2o1)N1CCC(O)(c2ccccc2)CC1 ZINC000095390598 570460753 /nfs/dbraw/zinc/46/07/53/570460753.db2.gz ZCHHTVVKGWZHFQ-IBGZPJMESA-N -1 0 351.402 3.542 50 0 FHAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000000898050 570463111 /nfs/dbraw/zinc/46/31/11/570463111.db2.gz TZZKKRQIXXEDFP-UHFFFAOYSA-N -1 0 359.234 3.753 50 0 FHAARM COc1ccccc1-c1cc(C(F)(F)F)n2nc(C(=O)[O-])c(Cl)c2n1 ZINC000000902755 570463118 /nfs/dbraw/zinc/46/31/18/570463118.db2.gz XBVRTVAENUDWJO-UHFFFAOYSA-N -1 0 371.702 3.775 50 0 FHAARM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000000937533 570464391 /nfs/dbraw/zinc/46/43/91/570464391.db2.gz IMGPSHSJTJLLDA-UHFFFAOYSA-N -1 0 355.415 3.817 50 0 FHAARM Cc1ccc([C@H]2SC[C@@H](C(=O)[O-])N2C(=O)c2cccc(Cl)c2)cc1 ZINC000000974401 570467087 /nfs/dbraw/zinc/46/70/87/570467087.db2.gz KEHAOGCUVNGZOK-DOTOQJQBSA-N -1 0 361.850 3.989 50 0 FHAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000001034197 570473340 /nfs/dbraw/zinc/47/33/40/570473340.db2.gz ZKIMRANDWYWSGU-UHFFFAOYSA-N -1 0 365.263 3.814 50 0 FHAARM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000001088632 570479698 /nfs/dbraw/zinc/47/96/98/570479698.db2.gz ABSYOCZFEQDTFL-UHFFFAOYSA-N -1 0 359.234 3.753 50 0 FHAARM O=C([O-])C=Cc1cccc(N2C(=O)C[C@H](Cc3ccc(Cl)cc3)C2=O)c1 ZINC000001162386 570486051 /nfs/dbraw/zinc/48/60/51/570486051.db2.gz ZRFQNSLAAOXRMF-PPYMECGQSA-N -1 0 369.804 3.560 50 0 FHAARM C[C@H](Oc1ccc(F)cc1Cl)c1nc(C2CCCC2)nn1CC(=O)[O-] ZINC000097594775 570491367 /nfs/dbraw/zinc/49/13/67/570491367.db2.gz PZVIREQRSQAPRO-JTQLQIEISA-N -1 0 367.808 3.953 50 0 FHAARM O=C(Nc1ccccc1C(F)(F)F)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100662962 570506521 /nfs/dbraw/zinc/50/65/21/570506521.db2.gz FCYOSOYTZKQVHW-UHFFFAOYSA-N -1 0 374.318 3.534 50 0 FHAARM COCc1cc(=O)n2[n-]c(-c3ccsc3-n3c(C)ccc3C)cc2n1 ZINC000100820058 570508468 /nfs/dbraw/zinc/50/84/68/570508468.db2.gz JLMDXIXHZSZJCB-UHFFFAOYSA-N -1 0 354.435 3.717 50 0 FHAARM O=C(c1ccc2[n-]c(=S)oc2c1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000073424983 570603175 /nfs/dbraw/zinc/60/31/75/570603175.db2.gz TVGLBNMRZTYEDX-CHWSQXEVSA-N -1 0 364.492 3.617 50 0 FHAARM CCCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1C ZINC000011565945 570703577 /nfs/dbraw/zinc/70/35/77/570703577.db2.gz KTAWOZGYMMJCRD-UHFFFAOYSA-N -1 0 363.435 3.673 50 0 FHAARM CCOC(=O)c1cc2cc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])ccc2s1 ZINC000012410871 570743297 /nfs/dbraw/zinc/74/32/97/570743297.db2.gz SLNGYHCROBSZCA-KGLIPLIRSA-N -1 0 373.430 3.684 50 0 FHAARM O=C([O-])c1ccc2c(c1)nc(CSC13CC4CC(CC(C4)C1)C3)[nH]c2=O ZINC000012978146 570770077 /nfs/dbraw/zinc/77/00/77/570770077.db2.gz PYKJDTGDCKTFDR-UHFFFAOYSA-N -1 0 370.474 3.823 50 0 FHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000013468165 570777845 /nfs/dbraw/zinc/77/78/45/570777845.db2.gz PIOMBFGYBHQXIW-SJORKVTESA-N -1 0 361.401 3.631 50 0 FHAARM Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)c(=O)[n-]2)cc1 ZINC000032778597 570800154 /nfs/dbraw/zinc/80/01/54/570800154.db2.gz UTEKJAMBTJTJBQ-UHFFFAOYSA-N -1 0 366.446 3.592 50 0 FHAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(Cl)c4)c=3c2=O)c1 ZINC000101260762 570817935 /nfs/dbraw/zinc/81/79/35/570817935.db2.gz YNEGTWITNLBRJH-DLBZAZTESA-N -1 0 368.824 3.763 50 0 FHAARM O=C([O-])c1cn(C2CCCCCC2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000101714175 570822209 /nfs/dbraw/zinc/82/22/09/570822209.db2.gz DYZKETUOSMGANW-UHFFFAOYSA-N -1 0 351.406 3.732 50 0 FHAARM Cc1ccc(-c2noc(-c3c([O-])c4cc(F)ccc4n(C)c3=O)n2)cc1C ZINC000101725200 570822861 /nfs/dbraw/zinc/82/28/61/570822861.db2.gz NYBNMXPXUHEINP-UHFFFAOYSA-N -1 0 365.364 3.717 50 0 FHAARM CCc1ccc(NC(=O)Cc2c(C)[n-]n(-c3nc(C)c(C)s3)c2=O)cc1 ZINC000101831535 570824699 /nfs/dbraw/zinc/82/46/99/570824699.db2.gz OVMNQYDHMMCNOZ-UHFFFAOYSA-N -1 0 370.478 3.703 50 0 FHAARM CCn1c(=O)c2ccc(C(=O)Nc3cccc(Cl)c3)cc2[n-]c1=S ZINC000102587585 570833806 /nfs/dbraw/zinc/83/38/06/570833806.db2.gz OLQABOFTCZZYHC-UHFFFAOYSA-N -1 0 359.838 3.611 50 0 FHAARM Cc1[nH]c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nc1-c1ccccc1 ZINC000016577844 570858068 /nfs/dbraw/zinc/85/80/68/570858068.db2.gz KINSNIMKCNSVAP-UHFFFAOYSA-N -1 0 367.430 3.814 50 0 FHAARM CCCOc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cccc(C)n1 ZINC000016624794 570859051 /nfs/dbraw/zinc/85/90/51/570859051.db2.gz WPASZLPMSOKUDO-UHFFFAOYSA-N -1 0 354.859 3.941 50 0 FHAARM O=c1c2cc(Cc3ccccc3)sc2[n-]c(=S)n1C[C@H]1CCCO1 ZINC000017074016 570866432 /nfs/dbraw/zinc/86/64/32/570866432.db2.gz RADXAZXKWVJKDT-CYBMUJFWSA-N -1 0 358.488 3.890 50 0 FHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1sccc1C(=O)Nc1ccccc1 ZINC000017075879 570867751 /nfs/dbraw/zinc/86/77/51/570867751.db2.gz BXNNQRXDPDUGMO-ZIAGYGMSSA-N -1 0 370.430 3.606 50 0 FHAARM O=C([O-])CCCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2 ZINC000017076253 570867760 /nfs/dbraw/zinc/86/77/60/570867760.db2.gz BLYAZHMUQJGRJU-UHFFFAOYSA-N -1 0 372.446 3.683 50 0 FHAARM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(C)s3)ccc21 ZINC000008840570 571062476 /nfs/dbraw/zinc/06/24/76/571062476.db2.gz WEUIJPANYAAWBM-UHFFFAOYSA-N -1 0 364.492 3.547 50 0 FHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2ccno2)oc1C ZINC000032971352 571078132 /nfs/dbraw/zinc/07/81/32/571078132.db2.gz IMGOZSDUZZJONT-UHFFFAOYSA-N -1 0 368.798 3.706 50 0 FHAARM Cc1oc(-c2ccno2)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000032971353 571078148 /nfs/dbraw/zinc/07/81/48/571078148.db2.gz CUQXFARGWOXBHE-UHFFFAOYSA-N -1 0 356.762 3.836 50 0 FHAARM CSc1ccccc1[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000040150892 571086371 /nfs/dbraw/zinc/08/63/71/571086371.db2.gz MGLHWVUPKSUAQD-UHFFFAOYSA-N -1 0 353.856 3.510 50 0 FHAARM CN(c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000071820744 571091739 /nfs/dbraw/zinc/09/17/39/571091739.db2.gz VOZRUEFQDLSKRP-UHFFFAOYSA-N -1 0 353.465 3.569 50 0 FHAARM CC(C)(C)OC(=O)N1CCC(n2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000070460279 571111626 /nfs/dbraw/zinc/11/16/26/571111626.db2.gz LMQJQZZZHJIOLX-UHFFFAOYSA-N -1 0 361.467 3.631 50 0 FHAARM Cc1c(C[NH2+]Cc2ccccn2)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1 ZINC000015776915 571119641 /nfs/dbraw/zinc/11/96/41/571119641.db2.gz VOGFCEMSLRIWFG-UHFFFAOYSA-N -1 0 367.424 3.675 50 0 FHAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000000888005 571123578 /nfs/dbraw/zinc/12/35/78/571123578.db2.gz MJINLPVCIKOFCV-UHFFFAOYSA-N -1 0 353.399 3.853 50 0 FHAARM Cc1cc(C)cc(C(=O)N2CCC[C@](Cc3ccc(F)cc3)(C(=O)[O-])C2)c1 ZINC000071770973 571166293 /nfs/dbraw/zinc/16/62/93/571166293.db2.gz IFRVMBBFVMFXFO-JOCHJYFZSA-N -1 0 369.436 3.992 50 0 FHAARM O=C([O-])C[C@H]1COCCN1Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000072154019 571174679 /nfs/dbraw/zinc/17/46/79/571174679.db2.gz QJKHNVFRLRLBBH-NSHDSACASA-N -1 0 370.232 3.929 50 0 FHAARM COc1cccc([N-]S(=O)(=O)c2cc(-c3ccno3)sc2C)c1 ZINC000075436334 571178566 /nfs/dbraw/zinc/17/85/66/571178566.db2.gz ILXLDBKHOIJPFL-UHFFFAOYSA-N -1 0 350.421 3.521 50 0 FHAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c(C)s2)no1 ZINC000035539161 571181200 /nfs/dbraw/zinc/18/12/00/571181200.db2.gz BGHZQMMHENILPW-UHFFFAOYSA-N -1 0 367.427 3.663 50 0 FHAARM O=C1NCc2cccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)c21 ZINC000012584401 571186358 /nfs/dbraw/zinc/18/63/58/571186358.db2.gz XNJMBTXPSMQLLJ-UHFFFAOYSA-N -1 0 370.474 3.779 50 0 FHAARM Cc1oc(-c2cc[nH]n2)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000075518938 571193348 /nfs/dbraw/zinc/19/33/48/571193348.db2.gz ZVRSPCZKSZXFTM-UHFFFAOYSA-N -1 0 355.778 3.571 50 0 FHAARM CSc1ccc(-c2noc(-c3c(=O)[nH]c4ccccc4c3[O-])n2)cc1 ZINC000075536608 571195326 /nfs/dbraw/zinc/19/53/26/571195326.db2.gz UVUQHPGUJKBIQU-UHFFFAOYSA-N -1 0 351.387 3.673 50 0 FHAARM COc1ccc([C@@]2(C(=O)NC3(CC(=O)[O-])CCCCC3)CC2(C)C)cc1 ZINC000299777208 571197092 /nfs/dbraw/zinc/19/70/92/571197092.db2.gz KATDKTZZNQVXRR-OAQYLSRUSA-N -1 0 359.466 3.657 50 0 FHAARM CCOc1ccc(-c2ccnc(NCc3ncccc3C)n2)cc1C(=O)[O-] ZINC000072481077 571200039 /nfs/dbraw/zinc/20/00/39/571200039.db2.gz SSJGUABKOFXHOZ-UHFFFAOYSA-N -1 0 364.405 3.556 50 0 FHAARM Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2ccccc2C(=O)[O-])cc1 ZINC000252452282 571201783 /nfs/dbraw/zinc/20/17/83/571201783.db2.gz ANQYSMOUVHWLDZ-UHFFFAOYSA-N -1 0 361.401 3.556 50 0 FHAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(Cl)c4)c=3c2=O)c1 ZINC000023125743 571216552 /nfs/dbraw/zinc/21/65/52/571216552.db2.gz YNEGTWITNLBRJH-SJORKVTESA-N -1 0 368.824 3.763 50 0 FHAARM O=C([O-])C1CCN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc32)CC1 ZINC000178172317 571226814 /nfs/dbraw/zinc/22/68/14/571226814.db2.gz FDQLAWUYVZKKNH-UHFFFAOYSA-N -1 0 358.825 3.702 50 0 FHAARM Cc1nc(CN2CCC(Oc3ccc4ccccc4c3)(C(=O)[O-])CC2)co1 ZINC000082120253 571228614 /nfs/dbraw/zinc/22/86/14/571228614.db2.gz ZEQMCHNFGCYCKP-UHFFFAOYSA-N -1 0 366.417 3.634 50 0 FHAARM Cc1nc(Cc2ccccc2)sc1C(=O)NC1(C(=O)[O-])CCC(C)CC1 ZINC000170592075 571266219 /nfs/dbraw/zinc/26/62/19/571266219.db2.gz PSYGAEVBCPIJQT-UHFFFAOYSA-N -1 0 372.490 3.806 50 0 FHAARM CCCc1ccc(S(=O)(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000170594914 571266391 /nfs/dbraw/zinc/26/63/91/571266391.db2.gz HHPRBONRZCOLPT-CQSZACIVSA-N -1 0 361.463 3.703 50 0 FHAARM O=C([O-])c1nsc2c1NC(=O)C[C@H]2c1cccc(Br)c1 ZINC000071283077 571269735 /nfs/dbraw/zinc/26/97/35/571269735.db2.gz LQYQPUDQMFVBOZ-QMMMGPOBSA-N -1 0 353.197 3.727 50 0 FHAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000013320370 571270586 /nfs/dbraw/zinc/27/05/86/571270586.db2.gz LVTNBUDAGKFJFO-GUMHCPJTSA-N -1 0 355.478 3.605 50 0 FHAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1csc(-c2ccsc2)n1 ZINC000237944898 571277232 /nfs/dbraw/zinc/27/72/32/571277232.db2.gz MNXWEOMYFKTRTJ-LBPRGKRZSA-N -1 0 350.465 3.731 50 0 FHAARM Cc1nc2sc3c(c2c2nc(-c4ccccc4C(=O)[O-])nn21)CCCC3 ZINC000002226856 571290711 /nfs/dbraw/zinc/29/07/11/571290711.db2.gz QUZRRPCAMPNNAV-UHFFFAOYSA-N -1 0 364.430 3.891 50 0 FHAARM C[C@H](C(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257356544 571311689 /nfs/dbraw/zinc/31/16/89/571311689.db2.gz IXDBAXFCCXETKU-SIISOJMCSA-N -1 0 364.526 3.698 50 0 FHAARM O=C([O-])c1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCC2)cc1 ZINC000079474960 571327452 /nfs/dbraw/zinc/32/74/52/571327452.db2.gz FBCSWRXHESYFQX-OAHLLOKOSA-N -1 0 373.434 3.826 50 0 FHAARM O=C(CCCc1nc2ccccc2s1)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000095425547 571329532 /nfs/dbraw/zinc/32/95/32/571329532.db2.gz WYPBTZDVJXKYNP-HNNXBMFYSA-N -1 0 368.458 3.604 50 0 FHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=C(C)C)C(=O)N2 ZINC000020577965 571331295 /nfs/dbraw/zinc/33/12/95/571331295.db2.gz XTXJNLCDDQPVIH-UHFFFAOYSA-N -1 0 372.446 3.550 50 0 FHAARM COc1ccc(-c2noc(-c3c[n-]c4ccc(C)cc4c3=O)n2)cc1OC ZINC000020736858 571331663 /nfs/dbraw/zinc/33/16/63/571331663.db2.gz DMYKABVHKHGYTD-UHFFFAOYSA-N -1 0 363.373 3.571 50 0 FHAARM Cc1nn(Cc2ccccc2C)c(C)c1[N-]S(=O)(=O)c1ccccc1F ZINC000096286888 571335046 /nfs/dbraw/zinc/33/50/46/571335046.db2.gz UCKUISSFLQTIDA-UHFFFAOYSA-N -1 0 373.453 3.797 50 0 FHAARM C[C@H](Oc1ccc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1)c1ccccc1 ZINC000263231356 571355143 /nfs/dbraw/zinc/35/51/43/571355143.db2.gz QNDFQUMCLHBQQE-ZRGWGRIASA-N -1 0 353.418 3.619 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2cnc3c(cnn3C(C)C)c2)c(Cl)c1 ZINC000032097920 571355781 /nfs/dbraw/zinc/35/57/81/571355781.db2.gz VPQGBKLARNGYLH-UHFFFAOYSA-N -1 0 364.858 3.775 50 0 FHAARM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC000263248813 600902939 /nfs/dbraw/zinc/90/29/39/600902939.db2.gz GVOCWLQFASSOCP-ACJLOTCBSA-N -1 0 357.381 3.512 50 0 FHAARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1C ZINC000101084983 930924097 /nfs/dbraw/zinc/92/40/97/930924097.db2.gz JHQQEJNUKKZCCX-MRVPVSSYSA-N -1 0 350.241 3.931 50 0 FHAARM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1s[n-]c(=O)c1Cl ZINC000555550840 941388875 /nfs/dbraw/zinc/38/88/75/941388875.db2.gz CLJIRGUXWILWNF-UHFFFAOYSA-N -1 0 366.748 3.673 50 0 FHAARM O=C(NCCc1nc(C2CCCCC2)cs1)c1s[n-]c(=O)c1Cl ZINC000283162443 941875274 /nfs/dbraw/zinc/87/52/74/941875274.db2.gz UCBLMMJXDAUCNV-UHFFFAOYSA-N -1 0 371.915 3.979 50 0 FHAARM COc1ccc(/C=C2/SC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000101792685 942016278 /nfs/dbraw/zinc/01/62/78/942016278.db2.gz HXUCMTONVTXJSL-MHWRWJLKSA-N -1 0 369.398 3.630 50 0 FHAARM O=C([O-])c1ccc2nc(/C=C\c3ccnn3C3CCOCC3)sc2c1 ZINC000888100532 948440679 /nfs/dbraw/zinc/44/06/79/948440679.db2.gz DOUKPWYYAAGRJQ-RQOWECAXSA-N -1 0 355.419 3.713 50 0 FHAARM O=C([O-])c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1 ZINC000299800513 223104183 /nfs/dbraw/zinc/10/41/83/223104183.db2.gz XDEAJDWZYIGCAZ-UHFFFAOYSA-N -1 0 374.322 3.924 50 0 FHAARM O=C(CCn1ccc2c1cccc2Cl)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238900224 203904134 /nfs/dbraw/zinc/90/41/34/203904134.db2.gz IAAWPKUXSMTBQE-HDJSIYSDSA-N -1 0 362.857 3.692 50 0 FHAARM Cc1c2ccc(OC/C=C/c3ccccc3)cc2oc(=O)c1CC(=O)[O-] ZINC000002150016 203918408 /nfs/dbraw/zinc/91/84/08/203918408.db2.gz MEVDERFGWLYROI-VMPITWQZSA-N -1 0 350.370 3.821 50 0 biogenic FHAARM O=C([O-])c1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000000668345 203940253 /nfs/dbraw/zinc/94/02/53/203940253.db2.gz MVNHOZLXKLOTDT-UHFFFAOYSA-N -1 0 360.369 3.889 50 0 FHAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000001119697 203983690 /nfs/dbraw/zinc/98/36/90/203983690.db2.gz QKPWCJDENNIATC-UHFFFAOYSA-N -1 0 364.357 3.791 50 0 FHAARM COc1ccc2c(c1)c(C(=O)[O-])c(C)n2CCc1ccc(OC)c(OC)c1 ZINC000000798256 203952056 /nfs/dbraw/zinc/95/20/56/203952056.db2.gz GEYHBGKNYAKBSL-UHFFFAOYSA-N -1 0 369.417 3.916 50 0 FHAARM O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 ZINC000002386294 204036828 /nfs/dbraw/zinc/03/68/28/204036828.db2.gz KQKYKWUUVQMRPX-LJQANCHMSA-N -1 0 351.402 3.778 50 0 FHAARM CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000001926218 204021929 /nfs/dbraw/zinc/02/19/29/204021929.db2.gz SOKFQCVZHUMYAY-UHFFFAOYSA-N -1 0 360.218 3.517 50 0 FHAARM CCCCCOC(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000002079049 204026329 /nfs/dbraw/zinc/02/63/29/204026329.db2.gz ILMVKWPMLQBAME-UHFFFAOYSA-N -1 0 355.390 3.984 50 0 FHAARM CC(C)CCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000002207154 204029386 /nfs/dbraw/zinc/02/93/86/204029386.db2.gz AKUJCWUGWUYTSJ-UHFFFAOYSA-N -1 0 370.478 3.889 50 0 FHAARM O=C([O-])[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccccc1 ZINC000002315688 204034146 /nfs/dbraw/zinc/03/41/46/204034146.db2.gz HBUZMFKWRRHFNJ-ZDUSSCGKSA-N -1 0 351.324 3.978 50 0 FHAARM COc1ccc(-c2nnc(S[C@H](C)C(=O)[O-])n2-c2ccccc2)cc1 ZINC000002886075 204065895 /nfs/dbraw/zinc/06/58/95/204065895.db2.gz RWTYGFFXPXAMTM-GFCCVEGCSA-N -1 0 355.419 3.508 50 0 FHAARM CCOc1ccc(S(=O)(=O)[N-]c2nc3cc(OC)ccc3s2)cc1 ZINC000003246633 204084509 /nfs/dbraw/zinc/08/45/09/204084509.db2.gz OVXJQIWUOQCBQV-UHFFFAOYSA-N -1 0 364.448 3.504 50 0 FHAARM O=C(C=Cc1ccco1)OC(C(=O)c1ccccc1)=C([O-])c1ccccc1 ZINC000003307869 204090256 /nfs/dbraw/zinc/09/02/56/204090256.db2.gz MOJKTSKFXSQWHB-BUHFOSPRSA-N -1 0 360.365 3.970 50 0 FHAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)[O-] ZINC000002583027 204044856 /nfs/dbraw/zinc/04/48/56/204044856.db2.gz RUQLVQSODALTBB-KRWDZBQOSA-N -1 0 373.405 3.705 50 0 FHAARM Cc1ccc([C@@H]2SC[C@H](C(=O)[O-])N2C(=O)c2ccc(Cl)cc2)cc1 ZINC000002758836 204054291 /nfs/dbraw/zinc/05/42/91/204054291.db2.gz MTLFXXMQWHBSAV-WBVHZDCISA-N -1 0 361.850 3.989 50 0 FHAARM Cc1ccc([C@H]2SC[C@@H](C(=O)[O-])N2C(=O)c2ccc(Cl)cc2)cc1 ZINC000002758839 204054827 /nfs/dbraw/zinc/05/48/27/204054827.db2.gz MTLFXXMQWHBSAV-DOTOQJQBSA-N -1 0 361.850 3.989 50 0 FHAARM Cc1sc([N-]S(=O)(=O)c2ccccc2)c(C(=O)OC(C)C)c1C ZINC000002744787 204055084 /nfs/dbraw/zinc/05/50/84/204055084.db2.gz NPNCEDHLLATKLZ-UHFFFAOYSA-N -1 0 353.465 3.731 50 0 FHAARM O=S(=O)([N-]c1cnn(Cc2ccc(F)cc2)c1)c1ccc(Cl)cc1 ZINC000002761357 204056195 /nfs/dbraw/zinc/05/61/95/204056195.db2.gz UDJKPLOQQAFNGI-UHFFFAOYSA-N -1 0 365.817 3.525 50 0 FHAARM O=S(=O)([N-]c1cnn(Cc2ccccc2Cl)c1)c1ccc(F)cc1 ZINC000002782368 204057571 /nfs/dbraw/zinc/05/75/71/204057571.db2.gz CSDLHQKILWJZAW-UHFFFAOYSA-N -1 0 365.817 3.525 50 0 FHAARM CC[C@]1(C)C[C@@](CCNC(=O)CCC(=O)[O-])(c2ccc(C)cc2)CCO1 ZINC000004028937 204118704 /nfs/dbraw/zinc/11/87/04/204118704.db2.gz JBKSUNPCAFGEPO-RTWAWAEBSA-N -1 0 361.482 3.583 50 0 biogenic FHAARM Nc1nc(/C=C/c2ccc(Br)cc2)nc(-c2ccccc2[O-])n1 ZINC000004178538 204125763 /nfs/dbraw/zinc/12/57/63/204125763.db2.gz NUGCTASQPOCXCU-JXMROGBWSA-N -1 0 369.222 3.759 50 0 FHAARM CN(CCCC(=O)[O-])c1nc(-c2ccc(Br)cc2)cs1 ZINC000003616111 204108164 /nfs/dbraw/zinc/10/81/64/204108164.db2.gz VJTYPHOPRVYWNE-UHFFFAOYSA-N -1 0 355.257 3.874 50 0 FHAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](CC)c2ccccc2)cc1 ZINC000003624689 204109467 /nfs/dbraw/zinc/10/94/67/204109467.db2.gz SQHAZDASRNOZBN-MOPGFXCFSA-N -1 0 355.434 3.911 50 0 FHAARM COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cc1 ZINC000004593285 204149867 /nfs/dbraw/zinc/14/98/67/204149867.db2.gz KNARZXBKENLRAV-GOSISDBHSA-N -1 0 355.434 3.939 50 0 FHAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2ccccc2Br)C1 ZINC000004651526 204151905 /nfs/dbraw/zinc/15/19/05/204151905.db2.gz GHBCAJPWQIFSMU-NEPJUHHUSA-N -1 0 352.228 3.835 50 0 FHAARM Cc1ccc(CNC(=O)Cc2c(C)c3cc(Cl)c([O-])cc3oc2=O)cc1 ZINC000004742947 204160623 /nfs/dbraw/zinc/16/06/23/204160623.db2.gz OHCURLRELCFPKX-UHFFFAOYSA-N -1 0 371.820 3.628 50 0 FHAARM O=C([O-])CCC(=O)Nc1ncccc1OCc1ccc(Cl)c(Cl)c1 ZINC000004307599 204131832 /nfs/dbraw/zinc/13/18/32/204131832.db2.gz JBEPRONKQMGDDP-UHFFFAOYSA-N -1 0 369.204 3.771 50 0 FHAARM Cc1nnc(SCc2nc(=O)c3sccc3[n-]2)n1C1CCCCC1 ZINC000004492684 204141884 /nfs/dbraw/zinc/14/18/84/204141884.db2.gz REKOLBYMPSMFAZ-UHFFFAOYSA-N -1 0 361.496 3.682 50 0 FHAARM Cc1ccc(S([O-])=CC(=O)c2cc(C)c(OC(=O)N(C)C)c(C)c2)cc1 ZINC000005363581 204204124 /nfs/dbraw/zinc/20/41/24/204204124.db2.gz WIROPUDMGLCPFX-AREMUKBSSA-N -1 0 373.474 3.663 50 0 FHAARM C[C@@H](Nc1nc2ccc(Br)cc2c(-c2ccccc2)n1)C(=O)[O-] ZINC000004939309 204178720 /nfs/dbraw/zinc/17/87/20/204178720.db2.gz JTQBBQUIVUVZPJ-SNVBAGLBSA-N -1 0 372.222 3.944 50 0 FHAARM CCOc1ccc(NC(=O)[C@H](CC(=O)[O-])Cc2cc(C)cc(C)c2)cc1 ZINC000005170684 204195964 /nfs/dbraw/zinc/19/59/64/204195964.db2.gz WFRINPUAHKYLNW-KRWDZBQOSA-N -1 0 355.434 3.974 50 0 FHAARM COC(=O)c1[nH]c2ccc(C)cc2c1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000005684198 204221417 /nfs/dbraw/zinc/22/14/17/204221417.db2.gz XYEKOOBKCVFMBS-UHFFFAOYSA-N -1 0 372.446 3.681 50 0 FHAARM O=C([O-])c1cccnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000006471228 204249498 /nfs/dbraw/zinc/24/94/98/204249498.db2.gz XNOHWFDUUBYESO-UHFFFAOYSA-N -1 0 357.218 3.817 50 0 FHAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000006887686 204279268 /nfs/dbraw/zinc/27/92/68/204279268.db2.gz LCAWSYXTGPZUIB-UHFFFAOYSA-N -1 0 358.419 3.768 50 0 FHAARM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1cc(F)ccc1F ZINC000008105416 204317498 /nfs/dbraw/zinc/31/74/98/204317498.db2.gz JWEPXDPGTMMDER-UHFFFAOYSA-N -1 0 353.268 3.664 50 0 FHAARM O=C1CCc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)ccc2N1 ZINC000008962473 204350455 /nfs/dbraw/zinc/35/04/55/204350455.db2.gz HSNIFUUKGPVBSM-UHFFFAOYSA-N -1 0 371.245 3.679 50 0 FHAARM C[C@H](Cc1nnc([N-]S(=O)(=O)Cc2ccccc2)s1)c1ccccc1 ZINC000009095396 204354020 /nfs/dbraw/zinc/35/40/20/204354020.db2.gz PXHJXLJFMGVLAC-CQSZACIVSA-N -1 0 373.503 3.826 50 0 FHAARM COc1ccc(-c2cc(=O)n3[n-]c(C)c(-c4ccccc4)c3n2)cc1OC ZINC000009134457 204355185 /nfs/dbraw/zinc/35/51/85/204355185.db2.gz NMOAVNLNZBHIGE-UHFFFAOYSA-N -1 0 361.401 3.682 50 0 FHAARM Cc1n[nH]c(SC(=Cc2cccc(OCc3ccccc3)c2)C(=O)[O-])n1 ZINC000009329360 204363289 /nfs/dbraw/zinc/36/32/89/204363289.db2.gz JNLOXYZRNHIVHB-GZTJUZNOSA-N -1 0 367.430 3.910 50 0 FHAARM O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000036287672 204373091 /nfs/dbraw/zinc/37/30/91/204373091.db2.gz XIVVLFAUTMRRGK-XCVCLJGOSA-N -1 0 371.336 3.604 50 0 FHAARM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2ccc3c(c2)CCCC3)cc1 ZINC000012886267 204505137 /nfs/dbraw/zinc/50/51/37/204505137.db2.gz IRCYEUOLXYXORC-HXUWFJFHSA-N -1 0 351.446 3.749 50 0 FHAARM Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)sc1C(=O)[O-] ZINC000037238856 204561111 /nfs/dbraw/zinc/56/11/11/204561111.db2.gz HMMDNBLCFKPEGZ-UHFFFAOYSA-N -1 0 366.247 3.862 50 0 FHAARM COC(=O)c1[nH]c2ccc(C)cc2c1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000017822358 204656095 /nfs/dbraw/zinc/65/60/95/204656095.db2.gz VVLQKHCUWYDSIK-UHFFFAOYSA-N -1 0 372.446 3.681 50 0 FHAARM COc1cc(Nc2cc(C(=O)[O-])c3ccccc3n2)cc(OC)c1OC ZINC000021715190 204758720 /nfs/dbraw/zinc/75/87/20/204758720.db2.gz RVLRHZXYLSZOHS-UHFFFAOYSA-N -1 0 354.362 3.702 50 0 FHAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C)s1)O[C@@H](C)C2 ZINC000036398170 205015870 /nfs/dbraw/zinc/01/58/70/205015870.db2.gz QXFMOTFZPJAKID-JTQLQIEISA-N -1 0 353.465 3.579 50 0 FHAARM Cc1nc([N-]S(=O)(=O)c2cccc(COc3ccccc3)c2)sc1C ZINC000072264754 205030558 /nfs/dbraw/zinc/03/05/58/205030558.db2.gz VNBRKBLKVQXRDJ-UHFFFAOYSA-N -1 0 374.487 3.562 50 0 FHAARM Cc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)cc1C(=O)[O-] ZINC000040089952 205054927 /nfs/dbraw/zinc/05/49/27/205054927.db2.gz UWJKXCNOLVQJBS-UHFFFAOYSA-N -1 0 371.414 3.682 50 0 FHAARM COc1ccc(Oc2ncccc2[N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000041615912 205092244 /nfs/dbraw/zinc/09/22/44/205092244.db2.gz KOQXBXVSLYOWKH-UHFFFAOYSA-N -1 0 374.393 3.822 50 0 FHAARM O=C([O-])[C@@H]1CCC[C@H](CC(=O)c2cccc(I)c2)C1 ZINC000043879478 205106005 /nfs/dbraw/zinc/10/60/05/205106005.db2.gz QWMNFTRKCUFPLU-CMPLNLGQSA-N -1 0 372.202 3.755 50 0 FHAARM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000084341009 205122863 /nfs/dbraw/zinc/12/28/63/205122863.db2.gz 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ZINC000063809609 205293690 /nfs/dbraw/zinc/29/36/90/205293690.db2.gz NQKRRTRRWMXTBV-NSHDSACASA-N -1 0 369.446 3.840 50 0 FHAARM O=c1[nH]c2c(Cl)cccc2c([O-])c1-c1nc(-c2ccc(F)cc2)no1 ZINC000065248623 205327869 /nfs/dbraw/zinc/32/78/69/205327869.db2.gz UUSAIGBSHNIPKA-UHFFFAOYSA-N -1 0 357.728 3.743 50 0 FHAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cn(CC(C)C)c2ncccc12 ZINC000065242298 205327979 /nfs/dbraw/zinc/32/79/79/205327979.db2.gz SLIAAWKVMYYACN-UHFFFAOYSA-N -1 0 361.442 3.941 50 0 FHAARM CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CCC3)o2)o1 ZINC000065246431 205328611 /nfs/dbraw/zinc/32/86/11/205328611.db2.gz FNOJWCRHUKVKNU-UHFFFAOYSA-N -1 0 373.434 3.960 50 0 FHAARM CCCCn1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c2cccnc21 ZINC000065242336 205328889 /nfs/dbraw/zinc/32/88/89/205328889.db2.gz WHHJBLDTQFOOIJ-UHFFFAOYSA-N -1 0 365.405 3.915 50 0 FHAARM Cc1nnc(-c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)s2)o1 ZINC000064919927 205308305 /nfs/dbraw/zinc/30/83/05/205308305.db2.gz RNSIINLOKUJFOH-UHFFFAOYSA-N -1 0 369.855 3.869 50 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O=c1c2ccc([O-])cc2oc(C(F)(F)F)c1-c1nncn1-c1ccccc1 ZINC000006457464 948469795 /nfs/dbraw/zinc/46/97/95/948469795.db2.gz SSCMZQAGTUACAW-UHFFFAOYSA-N -1 0 373.290 3.765 50 0 FHAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc(C)cc3)C2)cc1 ZINC000000710125 219315504 /nfs/dbraw/zinc/31/55/04/219315504.db2.gz REPNDUVJEMOPFK-IBGZPJMESA-N -1 0 366.417 3.546 50 0 FHAARM Cc1nn2c(c1-c1ccccc1)[N-]C(C(F)(F)F)(C(F)(F)F)NC2=O ZINC000001050133 219358381 /nfs/dbraw/zinc/35/83/81/219358381.db2.gz GJTUDXGGCJHZCF-UHFFFAOYSA-N -1 0 364.249 3.663 50 0 FHAARM CCOC(=O)c1cc(C(C)C)sc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000004124322 219546318 /nfs/dbraw/zinc/54/63/18/219546318.db2.gz CSYCIEPFSHFTIM-NWDGAFQWSA-N -1 0 365.451 3.654 50 0 FHAARM O=C([O-])c1cc(Br)ccc1NC(=O)CSc1ccccc1 ZINC000004724766 209500772 /nfs/dbraw/zinc/50/07/72/209500772.db2.gz VICZMETYCNFALR-UHFFFAOYSA-N -1 0 366.236 3.878 50 0 FHAARM Cc1ccc(/C=C2\CCn3c2nc2sc(C(=O)[O-])c(C)c2c3=O)s1 ZINC000008328869 219859752 /nfs/dbraw/zinc/85/97/52/219859752.db2.gz QKQKLLSHSVPAIM-JXMROGBWSA-N -1 0 358.444 3.779 50 0 FHAARM Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2CCC(=O)[O-])cc1 ZINC000001481426 209391365 /nfs/dbraw/zinc/39/13/65/209391365.db2.gz WVFWPEKHXUDJHB-SFQUDFHCSA-N -1 0 368.820 3.753 50 0 FHAARM COc1ccc(-c2ccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c(F)c2)cc1 ZINC000136469333 209374143 /nfs/dbraw/zinc/37/41/43/209374143.db2.gz IDIOUCLDWFZZOM-GOSISDBHSA-N -1 0 357.381 3.581 50 0 FHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000000627610 209372334 /nfs/dbraw/zinc/37/23/34/209372334.db2.gz GIQIGBNLIDRIFG-JKSUJKDBSA-N -1 0 364.401 3.544 50 0 FHAARM CC1(C)CC[C@@H](CC(=O)NCc2nc(C(=O)[O-])cs2)c2ccccc21 ZINC000124293398 209362522 /nfs/dbraw/zinc/36/25/22/209362522.db2.gz PVLVXCQPUKYOBS-LBPRGKRZSA-N -1 0 358.463 3.703 50 0 FHAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2conc2-c2ccc(Cl)cc2)C1 ZINC000238017603 209358749 /nfs/dbraw/zinc/35/87/49/209358749.db2.gz WIOZRPVGRMHWDN-GFCCVEGCSA-N -1 0 362.813 3.712 50 0 FHAARM CCC(C)(C)[C@H]1CCCN1C(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000122170998 209358869 /nfs/dbraw/zinc/35/88/69/209358869.db2.gz ZAXPNKAQKDUDFK-MRXNPFEDSA-N -1 0 373.522 3.503 50 0 FHAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccccc2)C1 ZINC000238016966 209358336 /nfs/dbraw/zinc/35/83/36/209358336.db2.gz CJPBBWIDSRLMNC-MRXNPFEDSA-N -1 0 365.429 3.635 50 0 FHAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cc1csc(-c2cccs2)n1 ZINC000237930221 209356322 /nfs/dbraw/zinc/35/63/22/209356322.db2.gz WLGWIRVOMQVHAO-ZDUSSCGKSA-N -1 0 364.492 3.660 50 0 FHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2csc(CCc3ccccc3)n2)C1 ZINC000237974481 209355814 /nfs/dbraw/zinc/35/58/14/209355814.db2.gz YXJPMADMXYDBOK-INIZCTEOSA-N -1 0 372.490 3.645 50 0 FHAARM Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237797389 209353446 /nfs/dbraw/zinc/35/34/46/209353446.db2.gz QOYXJSJWZGMVCH-DLBZAZTESA-N -1 0 369.486 3.805 50 0 FHAARM Cc1nc(-c2cc(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)co2)cs1 ZINC000237690931 209351563 /nfs/dbraw/zinc/35/15/63/209351563.db2.gz JMLIWWBKUCCSGQ-CQDKDKBSSA-N -1 0 360.435 3.569 50 0 FHAARM COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000237257945 209340743 /nfs/dbraw/zinc/34/07/43/209340743.db2.gz FGBOSDUQANIHGG-WBVHZDCISA-N -1 0 359.466 3.609 50 0 FHAARM CC(C)Cn1c(=O)c(C(=O)Nc2ccc(Cl)cn2)c([O-])c2ccccc21 ZINC000100681732 209216394 /nfs/dbraw/zinc/21/63/94/209216394.db2.gz FXLVBWRWIFGLEX-UHFFFAOYSA-N -1 0 371.824 3.664 50 0 FHAARM CCCn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)c([O-])c2ccccc21 ZINC000100513088 209215409 /nfs/dbraw/zinc/21/54/09/209215409.db2.gz SVWFPLQWIJDXQU-UHFFFAOYSA-N -1 0 370.836 3.701 50 0 FHAARM Cc1cc([C@H]2C([O-])=C(C(=O)c3ccc(Cl)cc3)C(=O)CC2(C)C)on1 ZINC000100551819 209214640 /nfs/dbraw/zinc/21/46/40/209214640.db2.gz KCFZLJTYWBJNEP-CVEARBPZSA-N -1 0 359.809 3.787 50 0 FHAARM Cc1cnc(NC(=O)c2c([O-])c3ccccc3n(CCC(C)C)c2=O)s1 ZINC000100448728 209213641 /nfs/dbraw/zinc/21/36/41/209213641.db2.gz SAFBTNFDWSUKPU-UHFFFAOYSA-N -1 0 371.462 3.770 50 0 in-vitro FHAARM COc1ccccc1Cn1c([S-])nc2c(-c3ccccc3)c[nH]c2c1=O ZINC000100071576 209209549 /nfs/dbraw/zinc/20/95/49/209209549.db2.gz YKEPZDIDXLKFTR-UHFFFAOYSA-N -1 0 363.442 3.737 50 0 FHAARM O=C([O-])CCCn1c(=O)c2ccccc2nc1/C=C\c1cc(F)ccc1F ZINC000097152304 209173024 /nfs/dbraw/zinc/17/30/24/209173024.db2.gz BJHNQXNBOQKORM-YFHOEESVSA-N -1 0 370.355 3.710 50 0 FHAARM O=c1nc2sc3c(c2c2[n-]c(COc4ccccc4)nn21)CCCC3 ZINC000013683119 220086333 /nfs/dbraw/zinc/08/63/33/220086333.db2.gz SXVNQWDGOZVCJH-UHFFFAOYSA-N -1 0 352.419 3.502 50 0 FHAARM COc1ccc([C@]2(C(=O)NC3(CC(=O)[O-])CCCCC3)CC2(C)C)cc1 ZINC000299777205 206643059 /nfs/dbraw/zinc/64/30/59/206643059.db2.gz KATDKTZZNQVXRR-NRFANRHFSA-N -1 0 359.466 3.657 50 0 FHAARM O=C(CCn1ccc2ccc(Cl)cc21)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238923901 206785429 /nfs/dbraw/zinc/78/54/29/206785429.db2.gz QEGNUZISXNMLPH-CTYIDZIISA-N -1 0 362.857 3.692 50 0 FHAARM COc1ccc(-n2c(=S)[n-]nc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001040494 206857843 /nfs/dbraw/zinc/85/78/43/206857843.db2.gz ZAWUKMONRIVNPA-UHFFFAOYSA-N -1 0 373.434 3.631 50 0 FHAARM CC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(C(=O)[O-])cc3)n2)s1 ZINC000002878769 206942707 /nfs/dbraw/zinc/94/27/07/206942707.db2.gz CUGSFVWMWXHIAX-UHFFFAOYSA-N -1 0 374.447 3.975 50 0 FHAARM Cc1sc(NC(=O)/C=C/C(=O)[O-])c(C(N)=O)c1-c1ccc(C(C)C)cc1 ZINC000002777276 206933709 /nfs/dbraw/zinc/93/37/09/206933709.db2.gz GCUNOLLSFJOBAQ-CMDGGOBGSA-N -1 0 372.446 3.525 50 0 FHAARM O=C([O-])c1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000003882302 206992522 /nfs/dbraw/zinc/99/25/22/206992522.db2.gz GEKAWNLLVQPPQC-INIZCTEOSA-N -1 0 361.397 3.933 50 0 FHAARM Cc1cccc(S(=O)(=O)[N-]c2nc(SCc3ccccc3C)n[nH]2)c1 ZINC000003997666 206996492 /nfs/dbraw/zinc/99/64/92/206996492.db2.gz YEKSEYANKUXRDH-UHFFFAOYSA-N -1 0 374.491 3.515 50 0 FHAARM CC(C)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)[O-] ZINC000004018760 206998505 /nfs/dbraw/zinc/99/85/05/206998505.db2.gz PRKZFRQGWUQYOG-NAVXVDNBSA-N -1 0 355.478 3.993 50 0 FHAARM Cc1cc(-c2cc(C)c(NCCCS(=O)(=O)[O-])c(C)c2)cc(C)c1N ZINC000004521845 207025126 /nfs/dbraw/zinc/02/51/26/207025126.db2.gz GZNAFYJQMXPVSY-UHFFFAOYSA-N -1 0 362.495 3.859 50 0 FHAARM CCOc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000004649254 207033627 /nfs/dbraw/zinc/03/36/27/207033627.db2.gz GSPXKHCTXMMVKU-UHFFFAOYSA-N -1 0 364.195 3.798 50 0 FHAARM CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000004651460 207034325 /nfs/dbraw/zinc/03/43/25/207034325.db2.gz HUXBYZKEVYINJX-STQMWFEESA-N -1 0 365.451 3.619 50 0 FHAARM O=C([O-])c1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000004699500 207039696 /nfs/dbraw/zinc/03/96/96/207039696.db2.gz XVONRQVQVZYGLV-VBKFSLOCSA-N -1 0 353.399 3.664 50 0 FHAARM O=C([O-])CCC(=O)Nc1ccc(NC(=O)C2CCCCC2)c(Cl)c1 ZINC000004811035 207049984 /nfs/dbraw/zinc/04/99/84/207049984.db2.gz ICKZYGBTGJKNBP-UHFFFAOYSA-N -1 0 352.818 3.662 50 0 FHAARM O=C([O-])CCCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 ZINC000005024695 207072177 /nfs/dbraw/zinc/07/21/77/207072177.db2.gz RXBZSBOWWPVZDN-OAHLLOKOSA-N -1 0 360.410 3.820 50 0 FHAARM CC1(C)[C@H](C(=O)[O-])CC[C@]1(C)C(=O)Nc1cccc(Br)c1 ZINC000005482300 207101686 /nfs/dbraw/zinc/10/16/86/207101686.db2.gz AIBXYGVUBITZEX-BLLLJJGKSA-N -1 0 354.244 3.915 50 0 FHAARM COc1ccc(-c2n[n-]c(=S)n2-c2ccc(OC)c(OC)c2)cc1OC ZINC000005529812 207104421 /nfs/dbraw/zinc/10/44/21/207104421.db2.gz JGXCJQYFGRBPFN-UHFFFAOYSA-N -1 0 373.434 3.631 50 0 FHAARM O=C([O-])CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000005737251 207114766 /nfs/dbraw/zinc/11/47/66/207114766.db2.gz UDFXTIBNKTUVSV-UHFFFAOYSA-N -1 0 359.838 3.824 50 0 FHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)C2CCC2)ccc1C ZINC000006176851 207132425 /nfs/dbraw/zinc/13/24/25/207132425.db2.gz CIJUDMQBFAOFEC-UHFFFAOYSA-N -1 0 374.462 3.543 50 0 FHAARM CC(C)n1cc(C(=O)c2ccccc2[O-])cc1-c1nc2ccccc2c(=O)[nH]1 ZINC000006590680 207147295 /nfs/dbraw/zinc/14/72/95/207147295.db2.gz IOQXHKFQUAACAW-UHFFFAOYSA-N -1 0 373.412 3.909 50 0 FHAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc3ccccc3c2)C[C@H]1C(=O)[O-] ZINC000006882690 207174910 /nfs/dbraw/zinc/17/49/10/207174910.db2.gz MUZBVLZKNSSONR-IRXDYDNUSA-N -1 0 357.406 3.681 50 0 FHAARM CCCc1cc(=O)oc2c1ccc1c2CN(c2ccc(C(=O)[O-])cc2)CO1 ZINC000006900536 207175834 /nfs/dbraw/zinc/17/58/34/207175834.db2.gz CQDYLZDFDPWQEV-UHFFFAOYSA-N -1 0 365.385 3.800 50 0 FHAARM CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000007054180 207185008 /nfs/dbraw/zinc/18/50/08/207185008.db2.gz SGVRMAZTBOIFSS-CQSZACIVSA-N -1 0 372.490 3.504 50 0 FHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000007056473 207185721 /nfs/dbraw/zinc/18/57/21/207185721.db2.gz JOXUVAASWAVZHM-UHFFFAOYSA-N -1 0 361.341 3.523 50 0 FHAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(Cl)c(Cl)c2)cc1 ZINC000007602803 207199164 /nfs/dbraw/zinc/19/91/64/207199164.db2.gz RYGDBHFLBZXBNX-UHFFFAOYSA-N -1 0 374.245 3.582 50 0 FHAARM CC(=O)Nc1cccc(-c2nnc(SCc3cccc(C(=O)[O-])c3)o2)c1 ZINC000007605196 207199476 /nfs/dbraw/zinc/19/94/76/207199476.db2.gz FFLGFLFWFKOYAV-UHFFFAOYSA-N -1 0 369.402 3.686 50 0 FHAARM Cc1nc2cc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)ccc2o1 ZINC000008110298 207219429 /nfs/dbraw/zinc/21/94/29/207219429.db2.gz DGHCIPHQYOOKEJ-UHFFFAOYSA-N -1 0 356.325 3.956 50 0 FHAARM O=C([O-])C1(CC(=O)Nc2cccc(N3CCCC3=O)c2)CCCCCC1 ZINC000008745863 207246284 /nfs/dbraw/zinc/24/62/84/207246284.db2.gz SZBZCVLANYXRJG-UHFFFAOYSA-N -1 0 358.438 3.567 50 0 FHAARM O=c1nc(SCc2ccc(F)cc2)nc2c(-c3ccccc3)c[n-]n21 ZINC000009105698 207257007 /nfs/dbraw/zinc/25/70/07/207257007.db2.gz AWZQHGPKHUFBTE-UHFFFAOYSA-N -1 0 352.394 3.516 50 0 FHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2cccc3ccccc32)c1 ZINC000009454447 207271936 /nfs/dbraw/zinc/27/19/36/207271936.db2.gz IURXRCPWRBVLCJ-UHFFFAOYSA-N -1 0 369.442 3.520 50 0 FHAARM Cc1nc2sccc2c(=O)n1[N-]C(=O)c1cc2cc(Cl)ccc2o1 ZINC000009497060 207274334 /nfs/dbraw/zinc/27/43/34/207274334.db2.gz NPAZQZANEZHAKW-UHFFFAOYSA-N -1 0 359.794 3.550 50 0 FHAARM O=C(Nn1c(=S)[n-]nc1-c1ccco1)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000009544619 207277465 /nfs/dbraw/zinc/27/74/65/207277465.db2.gz BHFINRFVCYUIFX-MNOVXSKESA-N -1 0 360.826 3.728 50 0 FHAARM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3F)s2)c1C ZINC000009686657 207281219 /nfs/dbraw/zinc/28/12/19/207281219.db2.gz IBSFOHHTGSPYGI-UHFFFAOYSA-N -1 0 369.418 3.834 50 0 FHAARM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)s2)c1C ZINC000009686677 207281759 /nfs/dbraw/zinc/28/17/59/207281759.db2.gz MDQSYTUGZZHBDK-UHFFFAOYSA-N -1 0 351.428 3.695 50 0 FHAARM O=S(=O)([N-]c1ccc(OCC(F)(F)F)cc1)c1ccc(F)cc1F ZINC000010516278 207302287 /nfs/dbraw/zinc/30/22/87/207302287.db2.gz PRLNISXPWJVKOV-UHFFFAOYSA-N -1 0 367.295 3.707 50 0 FHAARM COc1ccc(-c2cc(C(=O)[O-])c3cnn(-c4ccccc4F)c3n2)cc1 ZINC000012396035 207370298 /nfs/dbraw/zinc/37/02/98/207370298.db2.gz AQJSJTYRIQSBLW-UHFFFAOYSA-N -1 0 363.348 3.933 50 0 FHAARM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccccc3-c3cccs3)cc2o1 ZINC000012508365 207383964 /nfs/dbraw/zinc/38/39/64/207383964.db2.gz DWTXXJWMRRMKGS-UHFFFAOYSA-N -1 0 372.427 3.650 50 0 FHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=C(C)C)C(=O)N2 ZINC000020577928 207745272 /nfs/dbraw/zinc/74/52/72/207745272.db2.gz SYZWDASBKLTPTB-UHFFFAOYSA-N -1 0 372.446 3.632 50 0 FHAARM CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1C(C)C ZINC000032601671 208031623 /nfs/dbraw/zinc/03/16/23/208031623.db2.gz QFXDBRNOFXDFQV-UHFFFAOYSA-N -1 0 363.435 3.708 50 0 FHAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)c1 ZINC000032909117 208053962 /nfs/dbraw/zinc/05/39/62/208053962.db2.gz BPKZUAWIJNSQRQ-UHFFFAOYSA-N -1 0 370.430 3.505 50 0 FHAARM O=C([O-])CC1(CNC(=O)Cn2ccc3c2cccc3Cl)CCCCC1 ZINC000036359605 208157959 /nfs/dbraw/zinc/15/79/59/208157959.db2.gz RXJJJVIGPHIXRI-UHFFFAOYSA-N -1 0 362.857 3.836 50 0 FHAARM Cc1nn(Cc2cccc(C)c2)c(C)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000039974968 208215750 /nfs/dbraw/zinc/21/57/50/208215750.db2.gz KRXIYUJKEGNWQU-UHFFFAOYSA-N -1 0 373.453 3.797 50 0 FHAARM O=C([O-])c1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2cc(F)ccc2F)cc1 ZINC000040284080 208245563 /nfs/dbraw/zinc/24/55/63/208245563.db2.gz WFPUYZDCTCYPOB-ZDUSSCGKSA-N -1 0 369.327 3.972 50 0 FHAARM Cc1cc(-c2csc(-c3cccc(C(=O)[O-])c3)n2)c(C)n1-c1nc[nH]n1 ZINC000058474352 208586770 /nfs/dbraw/zinc/58/67/70/208586770.db2.gz NYCQDSBPUKRMMT-UHFFFAOYSA-N -1 0 365.418 3.701 50 0 FHAARM O=S(=O)([N-]c1cc(-c2ccsc2)no1)c1ccc(F)c(Cl)c1 ZINC000065153444 208636787 /nfs/dbraw/zinc/63/67/87/208636787.db2.gz PDCGTQXURIQZGX-UHFFFAOYSA-N -1 0 358.803 3.996 50 0 FHAARM CC(C)O[C@@H](C)c1nnc(SCC(=O)[O-])n1-c1cccc(Cl)c1 ZINC000065492594 208683390 /nfs/dbraw/zinc/68/33/90/208683390.db2.gz MNCHFGYZVXUGHC-JTQLQIEISA-N -1 0 355.847 3.583 50 0 FHAARM O=C([O-])c1cccc(-c2ccc([C@H]3SCC(=O)Nc4n[nH]cc43)o2)c1 ZINC000079486145 208942809 /nfs/dbraw/zinc/94/28/09/208942809.db2.gz MKTQEMZTTFSMBX-HNNXBMFYSA-N -1 0 355.375 3.792 50 0 FHAARM COc1ccc(-c2nc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)cs2)cc1 ZINC000095992007 209092620 /nfs/dbraw/zinc/09/26/20/209092620.db2.gz QVDYMZPGUJLPTR-CYBMUJFWSA-N -1 0 374.462 3.536 50 0 FHAARM CCCN1Cc2cccc([N-]S(=O)(=O)c3cccc4ncccc43)c2C1 ZINC000095348532 209023347 /nfs/dbraw/zinc/02/33/47/209023347.db2.gz WGIYBQRYCGASLV-UHFFFAOYSA-N -1 0 367.474 3.761 50 0 FHAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3cnc4c(c3)CCCC4)C2)c1 ZINC000095361944 209029704 /nfs/dbraw/zinc/02/97/04/209029704.db2.gz NICQXUQENIWUIB-GOSISDBHSA-N -1 0 364.445 3.678 50 0 FHAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)c3ccc4ncccc4c3)C2)cc1 ZINC000095364420 209031418 /nfs/dbraw/zinc/03/14/18/209031418.db2.gz UUWBANBOPWLYPU-LJQANCHMSA-N -1 0 360.413 3.953 50 0 FHAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3cccc4cccnc43)C2)c1 ZINC000095376962 209039196 /nfs/dbraw/zinc/03/91/96/209039196.db2.gz XOPGMVNNRHOXAA-GOSISDBHSA-N -1 0 360.413 3.953 50 0 FHAARM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)ccc1F ZINC000095454507 209052054 /nfs/dbraw/zinc/05/20/54/209052054.db2.gz KCNBVACTPJEEML-UHFFFAOYSA-N -1 0 350.198 3.947 50 0 FHAARM COc1ccc2c(C)c(C(=O)N(CC(=O)[O-])C3CCCCCC3)oc2c1 ZINC000095520737 209072241 /nfs/dbraw/zinc/07/22/41/209072241.db2.gz OKLBIHHMYNVJTH-UHFFFAOYSA-N -1 0 359.422 3.999 50 0 FHAARM Cc1cc(N2CCCCC2)nc2sc3c(ncnc3SCC(=O)[O-])c21 ZINC000071283435 136138774 /nfs/dbraw/zinc/13/87/74/136138774.db2.gz MFHDLYUNSXLRIU-UHFFFAOYSA-N -1 0 374.491 3.715 50 0 FHAARM O=C([O-])[C@@]1(CCOc2ccccc2)CCCN(c2ccc(Cl)cn2)C1 ZINC000071760010 136140466 /nfs/dbraw/zinc/14/04/66/136140466.db2.gz UFRIBLNOAOLJSJ-LJQANCHMSA-N -1 0 360.841 3.875 50 0 FHAARM O=C([O-])C1CCC(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1 ZINC000268924701 527562705 /nfs/dbraw/zinc/56/27/05/527562705.db2.gz DKKPZPOUHDQSQB-HFCHRNICSA-N -1 0 356.249 3.857 50 0 FHAARM O=C([O-])C1CCC(NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000299742714 527563079 /nfs/dbraw/zinc/56/30/79/527563079.db2.gz IPNRSEXYAZRXGD-OQSWDALSSA-N -1 0 355.356 3.569 50 0 FHAARM Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2cccc(C(=O)[O-])c2)C3=O)c1 ZINC000000827826 568309173 /nfs/dbraw/zinc/30/91/73/568309173.db2.gz FHIUORUJZGRPLF-UHFFFAOYSA-N -1 0 374.352 3.560 50 0 FHAARM Cc1ccccc1[C@H](c1ccncc1)n1cc(-c2ccc(C(=O)[O-])cc2)nn1 ZINC000091829092 570439747 /nfs/dbraw/zinc/43/97/47/570439747.db2.gz GNKWZZMHHQUZIP-NRFANRHFSA-N -1 0 370.412 3.984 50 0 FHAARM CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000001127448 570482149 /nfs/dbraw/zinc/48/21/49/570482149.db2.gz GIOIXJRDOKPOLC-GFCCVEGCSA-N -1 0 366.870 3.669 50 0 FHAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000001179549 570489308 /nfs/dbraw/zinc/48/93/08/570489308.db2.gz DHCDEAWFFSDISJ-UHFFFAOYSA-N -1 0 374.245 3.971 50 0 FHAARM O=S(=O)([N-]c1cccc2cccnc21)c1ccc(Br)s1 ZINC000002888883 570543095 /nfs/dbraw/zinc/54/30/95/570543095.db2.gz BWZPDZRPJIBWAU-UHFFFAOYSA-N -1 0 369.265 3.860 50 0 in-vivo FHAARM CC1=C(C)C[C@H](C(=O)Nc2ccccc2Br)[C@@H](C(=O)[O-])C1 ZINC000002797312 570532737 /nfs/dbraw/zinc/53/27/37/570532737.db2.gz GHBCAJPWQIFSMU-RYUDHWBXSA-N -1 0 352.228 3.835 50 0 FHAARM CCOC(=O)c1[n-]c(-c2ccco2)nc1NC(=O)Cc1ccc(Cl)cc1 ZINC000033435925 570551660 /nfs/dbraw/zinc/55/16/60/570551660.db2.gz MACCRHKQCOMWSI-UHFFFAOYSA-N -1 0 373.796 3.681 50 0 FHAARM CC(C)CCn1c2ccccc2c([O-])c(C(=O)NCc2ccccc2)c1=O ZINC000100508669 570564292 /nfs/dbraw/zinc/56/42/92/570564292.db2.gz CMHFHYFQQRCTDF-UHFFFAOYSA-N -1 0 364.445 3.683 50 0 FHAARM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000003546536 570565936 /nfs/dbraw/zinc/56/59/36/570565936.db2.gz SUODOMCHSQWOHM-UHFFFAOYSA-N -1 0 362.195 3.837 50 0 FHAARM Cc1cccc(C)c1OCc1nnc(SCC(=O)[O-])n1-c1ccccc1 ZINC000003886911 570570265 /nfs/dbraw/zinc/57/02/65/570570265.db2.gz HWWPQIBEGXKCRW-UHFFFAOYSA-N -1 0 369.446 3.640 50 0 FHAARM O=S(=O)([N-]c1cnn(Cc2cccc(Cl)c2)c1)c1ccc(F)cc1 ZINC000002804660 570673923 /nfs/dbraw/zinc/67/39/23/570673923.db2.gz HFFSRVMTBSKXTO-UHFFFAOYSA-N -1 0 365.817 3.525 50 0 FHAARM CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCCC3)c([O-])n2n1 ZINC000022852938 570694651 /nfs/dbraw/zinc/69/46/51/570694651.db2.gz UGINFDZXLKSHLE-AWEZNQCLSA-N -1 0 362.886 3.897 50 0 FHAARM CSc1sc(C(=O)[O-])c(C)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012366922 570739652 /nfs/dbraw/zinc/73/96/52/570739652.db2.gz ZBFBKKVEJSRLSH-UHFFFAOYSA-N -1 0 362.881 3.963 50 0 FHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Br)cc1Cl ZINC000000642693 570761290 /nfs/dbraw/zinc/76/12/90/570761290.db2.gz BFVZMTUMIFRQSE-ZJUUUORDSA-N -1 0 358.619 3.708 50 0 FHAARM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000189328376 570785595 /nfs/dbraw/zinc/78/55/95/570785595.db2.gz ACIJJEFDNQJMLC-UHFFFAOYSA-N -1 0 360.357 3.766 50 0 FHAARM Cc1[nH]c2[n-]n(-c3ccccc3)c(=O)c2c(=O)c1Cc1cccc(Cl)c1 ZINC000018155237 570813425 /nfs/dbraw/zinc/81/34/25/570813425.db2.gz AGBREWYSFIEQCN-UHFFFAOYSA-N -1 0 365.820 3.560 50 0 FHAARM Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000012804897 570816495 /nfs/dbraw/zinc/81/64/95/570816495.db2.gz LHKQXPYCZPLWQF-UHFFFAOYSA-N -1 0 360.218 3.801 50 0 FHAARM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000014632595 570821337 /nfs/dbraw/zinc/82/13/37/570821337.db2.gz KTLDVIJVCPIJCM-MJGOQNOKSA-N -1 0 351.402 3.778 50 0 FHAARM Cn1c(=O)c(-c2nc(-c3ccccc3Cl)no2)c([O-])c2ccccc21 ZINC000101725624 570822880 /nfs/dbraw/zinc/82/28/80/570822880.db2.gz JEVZOZXCCKEBCE-UHFFFAOYSA-N -1 0 353.765 3.615 50 0 FHAARM CC[C@H](C)c1ccc(S(=O)(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC000013278419 570825274 /nfs/dbraw/zinc/82/52/74/570825274.db2.gz RMYSTPWEIZPODW-ZDUSSCGKSA-N -1 0 359.447 3.650 50 0 FHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(C(F)(F)F)c4)c=3c2=O)cc1 ZINC000102807515 570838211 /nfs/dbraw/zinc/83/82/11/570838211.db2.gz AFCHXXFHDJJCDW-CABCVRRESA-N -1 0 374.322 3.512 50 0 FHAARM O=S(=O)([N-]c1ccccc1OC(F)(F)F)c1ccc2c(c1)CCC2 ZINC000016730597 570860866 /nfs/dbraw/zinc/86/08/66/570860866.db2.gz PZRCVPLJNKGTMX-UHFFFAOYSA-N -1 0 357.353 3.875 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3C)c2)c(C)c1 ZINC000017073496 570866566 /nfs/dbraw/zinc/86/65/66/570866566.db2.gz CGFQGFABGUTIOE-UHFFFAOYSA-N -1 0 355.463 3.657 50 0 FHAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2sccc2C(=O)OC(C)C)C1 ZINC000017075085 570867025 /nfs/dbraw/zinc/86/70/25/570867025.db2.gz PRYRDYOUSIGFQQ-KGLIPLIRSA-N -1 0 365.451 3.699 50 0 FHAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 ZINC000021962738 570936220 /nfs/dbraw/zinc/93/62/20/570936220.db2.gz IMROYEDZWIZGEE-HXUWFJFHSA-N -1 0 358.397 3.747 50 0 FHAARM Cc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2cccs2)cn1 ZINC000023194878 570959242 /nfs/dbraw/zinc/95/92/42/570959242.db2.gz ACGXBCLVFLFDQQ-UHFFFAOYSA-N -1 0 373.459 3.505 50 0 FHAARM O=C([O-])c1cc(-c2ccc3c(c2)OCCO3)nn1-c1ccc(F)c(Cl)c1 ZINC000025781767 571000637 /nfs/dbraw/zinc/00/06/37/571000637.db2.gz KDRILOPMODBBAC-UHFFFAOYSA-N -1 0 374.755 3.801 50 0 FHAARM O=C([O-])c1ccc2[nH]c(SCC(=O)Nc3cccc(Cl)c3)nc2c1 ZINC000028539766 571032957 /nfs/dbraw/zinc/03/29/57/571032957.db2.gz UYKQRZQFCBELCT-UHFFFAOYSA-N -1 0 361.810 3.645 50 0 FHAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)C1 ZINC000225430089 571034497 /nfs/dbraw/zinc/03/44/97/571034497.db2.gz YKQNNAOPCAUDMM-QLFBSQMISA-N -1 0 370.474 3.669 50 0 FHAARM COc1ccc(OC)c([C@@H]2CCCN2Cc2nc(=O)c3sccc3[n-]2)c1 ZINC000012684441 571044357 /nfs/dbraw/zinc/04/43/57/571044357.db2.gz LJEDHFGHIATEOY-HNNXBMFYSA-N -1 0 371.462 3.751 50 0 FHAARM O=c1c2cc(Br)ccc2nc(-c2ccccc2Cl)n1[O-] ZINC000001382206 571054832 /nfs/dbraw/zinc/05/48/32/571054832.db2.gz XGBDZTBAAWDOGT-UHFFFAOYSA-N -1 0 351.587 3.717 50 0 FHAARM CCOc1ccc(Cc2c([O-])nc(SC)n(-c3ccccc3)c2=O)cc1 ZINC000000862670 571069359 /nfs/dbraw/zinc/06/93/59/571069359.db2.gz CCSJYIAEWVQSEM-UHFFFAOYSA-N -1 0 368.458 3.650 50 0 FHAARM O=S1(=O)C(=C([O-])c2ccccc2)[C@@H](c2ccccc2)N1c1ccccc1 ZINC000003110003 571071904 /nfs/dbraw/zinc/07/19/04/571071904.db2.gz FRDSSBNETAPDAZ-CTNGQTDRSA-N -1 0 363.438 3.829 50 0 FHAARM O=C([O-])C1[C@H](c2ccccc2)C(C(=O)N2CCCCC2)[C@H]1c1ccccc1 ZINC000004976526 571072837 /nfs/dbraw/zinc/07/28/37/571072837.db2.gz JVYYEBJUKPRIEX-HJLBWTBNSA-N -1 0 363.457 3.897 50 0 FHAARM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c1Cl ZINC000001430051 571075270 /nfs/dbraw/zinc/07/52/70/571075270.db2.gz OQVRGBZPOMWTFT-UHFFFAOYSA-N -1 0 356.234 3.979 50 0 FHAARM Cc1cc(C)c(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC000042783106 571098945 /nfs/dbraw/zinc/09/89/45/571098945.db2.gz OZULOJCMCARKFN-JSGCOSHPSA-N -1 0 369.845 3.798 50 0 FHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2cc(C)no2)s1 ZINC000015731249 571111748 /nfs/dbraw/zinc/11/17/48/571111748.db2.gz WBOHSIQUBRROCK-UHFFFAOYSA-N -1 0 364.448 3.829 50 0 FHAARM O=C([O-])[C@H]1C[C@]12CCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000306972992 571114260 /nfs/dbraw/zinc/11/42/60/571114260.db2.gz VAHCWDPQONURLI-KNQAVFIVSA-N -1 0 363.413 3.732 50 0 FHAARM Cc1ccc(C(=O)Nc2cccc(NC(=O)CCc3cc(=O)[n-]o3)c2)cc1 ZINC000055054650 571115821 /nfs/dbraw/zinc/11/58/21/571115821.db2.gz OKUXZLOOMGUZQH-UHFFFAOYSA-N -1 0 365.389 3.512 50 0 FHAARM Cc1cccnc1Cn1c2cc(C(=O)[O-])ccc2n(C2CCCCC2)c1=O ZINC000055269936 571118823 /nfs/dbraw/zinc/11/88/23/571118823.db2.gz GGAGZEHZKZPBQC-UHFFFAOYSA-N -1 0 365.433 3.758 50 0 FHAARM Cc1n[nH]cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000058180394 571127596 /nfs/dbraw/zinc/12/75/96/571127596.db2.gz AODSKCJNUIEELW-UHFFFAOYSA-N -1 0 373.278 3.557 50 0 FHAARM CCC[C@@H]1CCCN(C(=O)CCn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000058415990 571132903 /nfs/dbraw/zinc/13/29/03/571132903.db2.gz YNOFVTGNJTXAMR-OAHLLOKOSA-N -1 0 373.522 3.878 50 0 FHAARM CCCCc1ccc(-c2csc(NC(=O)CCC(=O)[O-])c2C(N)=O)cc1 ZINC000017076623 571142927 /nfs/dbraw/zinc/14/29/27/571142927.db2.gz UQBBJPUKYOCAJA-UHFFFAOYSA-N -1 0 374.462 3.660 50 0 FHAARM O=C([O-])c1ccc(-c2c(-c3ccccc3)ncn2CCc2cnccn2)cc1 ZINC000065492513 571144189 /nfs/dbraw/zinc/14/41/89/571144189.db2.gz KEFTYDUKLLPBJT-UHFFFAOYSA-N -1 0 370.412 3.948 50 0 FHAARM CC(C)C(=O)Nc1ccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000012940222 571152206 /nfs/dbraw/zinc/15/22/06/571152206.db2.gz ZZGIBQGQUFTQJW-OAQYLSRUSA-N -1 0 368.433 3.652 50 0 FHAARM O=S(=O)([N-]c1cccc2c1CCCC2)c1ccc(-c2cc[nH]n2)s1 ZINC000075351869 571161975 /nfs/dbraw/zinc/16/19/75/571161975.db2.gz AMANPMCWKRKNLT-UHFFFAOYSA-N -1 0 359.476 3.818 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2nnc(CC3CCCCC3)s2)cc1 ZINC000071770935 571166248 /nfs/dbraw/zinc/16/62/48/571166248.db2.gz LWFCROOMPYUNIS-UHFFFAOYSA-N -1 0 351.497 3.770 50 0 FHAARM O=C([O-])c1ccc(-c2oc3ccc(Br)cc3c(=O)c2O)cc1 ZINC000031773440 571173810 /nfs/dbraw/zinc/17/38/10/571173810.db2.gz JAWDKXJGHMZPQI-UHFFFAOYSA-N -1 0 361.147 3.626 50 0 FHAARM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000012526046 571174235 /nfs/dbraw/zinc/17/42/35/571174235.db2.gz ZEEFTWAMNIZZPX-UHFFFAOYSA-N -1 0 359.325 3.513 50 0 FHAARM CCC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000012526024 571174328 /nfs/dbraw/zinc/17/43/28/571174328.db2.gz YVAJUYGDTKNICI-CYBMUJFWSA-N -1 0 364.442 3.545 50 0 FHAARM O=C([O-])c1ccc(-c2cc(NCc3ccncc3)nc3[nH]ccc32)c(O)c1 ZINC000072157020 571175007 /nfs/dbraw/zinc/17/50/07/571175007.db2.gz HFOGWBBQRZAUAX-UHFFFAOYSA-N -1 0 360.373 3.641 50 0 FHAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)CCCc2ccccc2)cc1 ZINC000003624353 571186199 /nfs/dbraw/zinc/18/61/99/571186199.db2.gz WROVNWLCPGPLJA-IBGZPJMESA-N -1 0 355.434 3.740 50 0 FHAARM CCOc1ccc(-c2ccnc(NCc3cc(C)ccn3)n2)cc1C(=O)[O-] ZINC000072409792 571191645 /nfs/dbraw/zinc/19/16/45/571191645.db2.gz OYYONDBFOPLLJO-UHFFFAOYSA-N -1 0 364.405 3.556 50 0 FHAARM O=C([O-])c1ccc(C[C@@H]2CCN(C(=O)c3nccc4ccccc43)C2)cc1 ZINC000072427047 571194540 /nfs/dbraw/zinc/19/45/40/571194540.db2.gz QAUUKNRRTCQGGU-INIZCTEOSA-N -1 0 360.413 3.638 50 0 FHAARM Cn1cc(C(=O)N2CC[C@H](Cc3ccc(C(=O)[O-])cc3)C2)c2ccccc21 ZINC000072447722 571197135 /nfs/dbraw/zinc/19/71/35/571197135.db2.gz HXUQOSKCLMFZAA-MRXNPFEDSA-N -1 0 362.429 3.581 50 0 FHAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(F)c(Cl)c4)c=3c2=O)c1 ZINC000023125740 571216681 /nfs/dbraw/zinc/21/66/81/571216681.db2.gz YONAABIEVDSBOE-HZPDHXFCSA-N -1 0 372.787 3.594 50 0 FHAARM O=C([O-])c1ccc(CNC(=O)N(Cc2cccnc2)C2CCCCC2)cc1 ZINC000426620280 571233521 /nfs/dbraw/zinc/23/35/21/571233521.db2.gz RPYWJABWCHISGB-UHFFFAOYSA-N -1 0 367.449 3.824 50 0 FHAARM Cc1nnc(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)s2)o1 ZINC000064920006 571246355 /nfs/dbraw/zinc/24/63/55/571246355.db2.gz HQOWKOGZENSJOU-UHFFFAOYSA-N -1 0 369.855 3.869 50 0 FHAARM CCc1c(C)c2ccc3c(c2oc1=O)CN(c1cccc(C(=O)[O-])c1)CO3 ZINC000006785152 571246454 /nfs/dbraw/zinc/24/64/54/571246454.db2.gz JQOBRGPXWZLTTH-UHFFFAOYSA-N -1 0 365.385 3.719 50 0 FHAARM COc1ccccc1[N-]S(=O)(=O)c1c(C)nn(-c2ccc(C)cc2)c1C ZINC000064947039 571247309 /nfs/dbraw/zinc/24/73/09/571247309.db2.gz DKKLKEYSSWVAJU-UHFFFAOYSA-N -1 0 371.462 3.607 50 0 FHAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000064980680 571248238 /nfs/dbraw/zinc/24/82/38/571248238.db2.gz OIYJSLJMVFSRHX-UHFFFAOYSA-N -1 0 364.829 3.666 50 0 FHAARM CC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3cc(C)no3)cc2C)cc1 ZINC000064979610 571248255 /nfs/dbraw/zinc/24/82/55/571248255.db2.gz VTYXQNQZDWFNOL-UHFFFAOYSA-N -1 0 370.430 3.962 50 0 FHAARM CCCn1nccc1-c1csc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000065112561 571254367 /nfs/dbraw/zinc/25/43/67/571254367.db2.gz DXLKSKPRXIYALF-UHFFFAOYSA-N -1 0 365.455 3.962 50 0 FHAARM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2ccnn2C)cs1 ZINC000065112341 571254380 /nfs/dbraw/zinc/25/43/80/571254380.db2.gz YFCOFBIBQPZKPV-UHFFFAOYSA-N -1 0 367.883 3.911 50 0 FHAARM Cc1cc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)CCCC4)ccc1F ZINC000065150387 571255139 /nfs/dbraw/zinc/25/51/39/571255139.db2.gz HTFOQJUJODCILR-UHFFFAOYSA-N -1 0 372.421 3.874 50 0 FHAARM CCc1nn2c(nc(C)c2S(=O)(=O)[N-]c2cccc(C(C)C)c2)s1 ZINC000065183783 571256014 /nfs/dbraw/zinc/25/60/14/571256014.db2.gz SLVMLDVNQPEVDU-UHFFFAOYSA-N -1 0 364.496 3.586 50 0 FHAARM O=C(Nc1ccc(Cl)c(Cl)c1)c1c(=O)[nH]c2ccsc2c1[O-] ZINC000065215103 571256738 /nfs/dbraw/zinc/25/67/38/571256738.db2.gz ZRJOJHPQQBVMLE-UHFFFAOYSA-N -1 0 355.202 3.854 50 0 FHAARM COc1ccc([N-]S(=O)(=O)c2cn(CC(C)C)c3ncccc23)cc1 ZINC000065242287 571257593 /nfs/dbraw/zinc/25/75/93/571257593.db2.gz CUXXRGVFTOOFGK-UHFFFAOYSA-N -1 0 359.451 3.502 50 0 FHAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000007056387 571259727 /nfs/dbraw/zinc/25/97/27/571259727.db2.gz YSNINQLIDSLBKO-UHFFFAOYSA-N -1 0 370.268 3.875 50 0 FHAARM CC(=O)Nc1ccc(F)c(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)c1 ZINC000169975520 571259786 /nfs/dbraw/zinc/25/97/86/571259786.db2.gz PYAIRVFUCFYMDD-LJQANCHMSA-N -1 0 364.417 3.784 50 0 FHAARM Cc1oc(CN(C)C(=O)[C@@H](C)Oc2ccc(F)cc2Cl)cc1C(=O)[O-] ZINC000170045138 571260953 /nfs/dbraw/zinc/26/09/53/571260953.db2.gz MXLUHBSQYYWZQD-SNVBAGLBSA-N -1 0 369.776 3.505 50 0 FHAARM Cc1oc(CN(C)C(=O)[C@H](C)Oc2ccc(F)cc2Cl)cc1C(=O)[O-] ZINC000170045140 571260957 /nfs/dbraw/zinc/26/09/57/571260957.db2.gz MXLUHBSQYYWZQD-JTQLQIEISA-N -1 0 369.776 3.505 50 0 FHAARM Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)c1C ZINC000016994397 571274593 /nfs/dbraw/zinc/27/45/93/571274593.db2.gz SKDQLSQMRDJJOI-UHFFFAOYSA-N -1 0 358.463 3.606 50 0 FHAARM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000086255947 571274988 /nfs/dbraw/zinc/27/49/88/571274988.db2.gz KVCDRFYMLTZBJM-ZIAGYGMSSA-N -1 0 351.402 3.731 50 0 FHAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cnc(-c2ccsc2)s1 ZINC000237775177 571277254 /nfs/dbraw/zinc/27/72/54/571277254.db2.gz CMOIHKRUUONHGQ-UHFFFAOYSA-N -1 0 374.443 3.896 50 0 FHAARM Cc1cc(C)n(-c2ccc(NC(=O)c3c([O-])cc(F)cc3F)cc2F)n1 ZINC000066047914 571289757 /nfs/dbraw/zinc/28/97/57/571289757.db2.gz VWXFPILJRCBYAK-UHFFFAOYSA-N -1 0 361.323 3.864 50 0 FHAARM CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC000032601649 571308429 /nfs/dbraw/zinc/30/84/29/571308429.db2.gz POTOJALKNHSJEB-UHFFFAOYSA-N -1 0 371.414 3.738 50 0 FHAARM Cc1c2ccc(OCc3ccccc3F)c(C)c2oc(=O)c1CC(=O)[O-] ZINC000002371040 571319938 /nfs/dbraw/zinc/31/99/38/571319938.db2.gz VYGKFZCWJVTLRV-UHFFFAOYSA-N -1 0 356.349 3.755 50 0 FHAARM CC(=O)Nc1ccc(O)c(C(=O)N(C)Cc2csc3ccccc23)c1 ZINC000055257290 571321527 /nfs/dbraw/zinc/32/15/27/571321527.db2.gz GZPNHBLPOSDRPZ-UHFFFAOYSA-N -1 0 354.431 3.838 50 0 FHAARM CCCCCCc1c(C)c2ccc(OCc3nnn[n-]3)c(C)c2oc1=O ZINC000002449384 571322583 /nfs/dbraw/zinc/32/25/83/571322583.db2.gz OWQAQSZEBWWIOR-UHFFFAOYSA-N -1 0 356.426 3.625 50 0 FHAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)c2)no1 ZINC000021701750 571335567 /nfs/dbraw/zinc/33/55/67/571335567.db2.gz OAIPXJNQWXXQQA-UHFFFAOYSA-N -1 0 369.855 3.869 50 0 FHAARM Cc1ccc(NS(=O)(=O)/C=C\c2ccc(Cl)cc2)c(C(=O)[O-])c1 ZINC000096401591 571335792 /nfs/dbraw/zinc/33/57/92/571335792.db2.gz GVUQPYLXGUOKGD-HJWRWDBZSA-N -1 0 351.811 3.759 50 0 FHAARM Cc1ccccc1S(=O)(=O)[N-]c1nc(C)nc2sc3c(c21)CCCC3 ZINC000002659379 571340283 /nfs/dbraw/zinc/34/02/83/571340283.db2.gz VMHGOAQTDDOVDI-UHFFFAOYSA-N -1 0 373.503 3.988 50 0 FHAARM O=C(CCCCCn1c(=O)c2sccc2[n-]c1=S)N1CCCCC1 ZINC000002925558 571341832 /nfs/dbraw/zinc/34/18/32/571341832.db2.gz IULLZDWWPWNTJX-UHFFFAOYSA-N -1 0 365.524 3.693 50 0 FHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(Br)cc1C ZINC000227116619 571342715 /nfs/dbraw/zinc/34/27/15/571342715.db2.gz MDEKWLOCCMZXOY-UHFFFAOYSA-N -1 0 370.268 3.875 50 0 FHAARM O=C(CSCc1cccc(Br)c1)[N-]OCc1ccccc1 ZINC000003177205 571345240 /nfs/dbraw/zinc/34/52/40/571345240.db2.gz NKVQVRQNAXGRML-UHFFFAOYSA-N -1 0 366.280 3.930 50 0 FHAARM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000237102761 600198444 /nfs/dbraw/zinc/19/84/44/600198444.db2.gz MYQRCUCTVCZXLT-OTYXRUKQSA-N -1 0 353.827 3.606 50 0 FHAARM O=C([O-])C1CCN(C(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000584908385 602284729 /nfs/dbraw/zinc/28/47/29/602284729.db2.gz KNQYTXYCDMFLQV-UKTHLTGXSA-N -1 0 361.747 3.609 50 0 FHAARM O=C([O-])c1ccc(N2CCCCCC2)c(N2C(=O)c3ccccc3C2=O)c1 ZINC000001116995 219372925 /nfs/dbraw/zinc/37/29/25/219372925.db2.gz JAYGKMIHWHHFSG-UHFFFAOYSA-N -1 0 364.401 3.566 50 0 FHAARM COc1ccc(-c2nnc(SCCC(=O)[O-])n2-c2ccccc2)cc1 ZINC000001123082 219374064 /nfs/dbraw/zinc/37/40/64/219374064.db2.gz DGQCPPYSZFMEQL-UHFFFAOYSA-N -1 0 355.419 3.510 50 0 FHAARM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cn2)cc1 ZINC000001142086 219378728 /nfs/dbraw/zinc/37/87/28/219378728.db2.gz HBSOMZGPPLRJHQ-UHFFFAOYSA-N -1 0 369.284 3.843 50 0 FHAARM Cc1nnc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)[n-]c1=O ZINC000011905415 209562756 /nfs/dbraw/zinc/56/27/56/209562756.db2.gz SOHWKVBOVAVXTK-UHFFFAOYSA-N -1 0 360.483 3.863 50 0 FHAARM CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000001133172 209486279 /nfs/dbraw/zinc/48/62/79/209486279.db2.gz JHEAJXFJGWLAPV-GFCCVEGCSA-N -1 0 372.446 3.689 50 0 FHAARM C[C@@H]1CCCC[C@@H]1NC(=O)CCCn1c(=O)c2ccccc2[n-]c1=S ZINC000002972095 209399603 /nfs/dbraw/zinc/39/96/03/209399603.db2.gz PUYPSIUVFXFIKK-HIFRSBDPSA-N -1 0 359.495 3.534 50 0 FHAARM O=C([O-])[C@H]1CCCN1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000238102710 209359965 /nfs/dbraw/zinc/35/99/65/209359965.db2.gz FZRYAMUFRCMKQG-GOSISDBHSA-N -1 0 369.852 3.787 50 0 FHAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cnc(-c2cccs2)s1 ZINC000237997726 209358712 /nfs/dbraw/zinc/35/87/12/209358712.db2.gz PQXMFXAIOIABDI-LLVKDONJSA-N -1 0 350.465 3.731 50 0 FHAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2csc(-c3ccsc3)n2)C1 ZINC000238022842 209358114 /nfs/dbraw/zinc/35/81/14/209358114.db2.gz NLEVFYRHFHCCQL-LLVKDONJSA-N -1 0 350.465 3.589 50 0 FHAARM Cc1cc(C(=O)N2CCC(C(=O)[O-])CC2)c(C)n1[C@@H](C)c1ccccc1 ZINC000237637823 209352958 /nfs/dbraw/zinc/35/29/58/209352958.db2.gz PALVGRGDQZHHRK-HNNXBMFYSA-N -1 0 354.450 3.651 50 0 FHAARM COc1ccc(-c2ncc(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])s2)cc1 ZINC000237485589 209349639 /nfs/dbraw/zinc/34/96/39/209349639.db2.gz RTBRSNFJLHHLBQ-CQSZACIVSA-N -1 0 374.462 3.678 50 0 FHAARM CCc1ccccc1NC(=O)Cc1c(C)[n-]n(-c2nc(C)c(C)s2)c1=O ZINC000101831594 209230567 /nfs/dbraw/zinc/23/05/67/209230567.db2.gz VGCIFGCJUVMSST-UHFFFAOYSA-N -1 0 370.478 3.703 50 0 FHAARM CCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccncc2)c1=O ZINC000100331677 209212401 /nfs/dbraw/zinc/21/24/01/209212401.db2.gz YLJBZPRHIBBMDO-UHFFFAOYSA-N -1 0 365.433 3.935 50 0 FHAARM Cc1nc2[n-]c(SCc3ccccc3)nn2c(=O)c1Cc1ccccc1 ZINC000100133718 209209448 /nfs/dbraw/zinc/20/94/48/209209448.db2.gz WRTBGDZVAHVBTC-UHFFFAOYSA-N -1 0 362.458 3.609 50 0 FHAARM O=C([O-])c1ccnc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000098210021 209205837 /nfs/dbraw/zinc/20/58/37/209205837.db2.gz XNCBIAWPGHTCPD-UHFFFAOYSA-N -1 0 374.396 3.819 50 0 FHAARM O=C([O-])c1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1 ZINC000098087010 209204778 /nfs/dbraw/zinc/20/47/78/209204778.db2.gz SLWVQIFNCFKEOE-DHDCSXOGSA-N -1 0 357.362 3.760 50 0 FHAARM Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)[O-])cc1C ZINC000002051955 206899924 /nfs/dbraw/zinc/89/99/24/206899924.db2.gz IVYPRUOVYMOVMU-UHFFFAOYSA-N -1 0 356.447 3.909 50 0 FHAARM CCCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000002486636 206918794 /nfs/dbraw/zinc/91/87/94/206918794.db2.gz GLKFRBLCHHSNLL-STQMWFEESA-N -1 0 367.467 3.761 50 0 FHAARM Cc1c2cc(S(=O)(=O)NC3CCCCCCC3)ccc2oc1C(=O)[O-] ZINC000002499759 206919363 /nfs/dbraw/zinc/91/93/63/206919363.db2.gz GSTDCUFPVBNQTF-UHFFFAOYSA-N -1 0 365.451 3.831 50 0 FHAARM C[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)C(=O)[O-] ZINC000002197166 206905080 /nfs/dbraw/zinc/90/50/80/206905080.db2.gz DCXGFVOUQZLNMA-JTQLQIEISA-N -1 0 372.471 3.501 50 0 FHAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2cc(C)cc(C)n2)c1=O ZINC000002295810 206908244 /nfs/dbraw/zinc/90/82/44/206908244.db2.gz GWBGXUMRFZCQBF-UHFFFAOYSA-N -1 0 365.433 3.771 50 0 FHAARM Cc1ccc(N2C(=O)S[C@@H](Nc3ccccc3C(=O)[O-])C2=O)cc1C ZINC000002709839 206929519 /nfs/dbraw/zinc/92/95/19/206929519.db2.gz CZHWCCHXOJBJQE-OAHLLOKOSA-N -1 0 356.403 3.640 50 0 FHAARM O=C([O-])c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000003259186 206964333 /nfs/dbraw/zinc/96/43/33/206964333.db2.gz RUSYUUPLCCGCGN-UHFFFAOYSA-N -1 0 353.346 3.717 50 0 FHAARM O=C([O-])c1cc(NC(=O)CSc2nc3ccccc3[nH]2)ccc1Cl ZINC000003899737 206993393 /nfs/dbraw/zinc/99/33/93/206993393.db2.gz UINHDBLBHNWJHK-UHFFFAOYSA-N -1 0 361.810 3.645 50 0 FHAARM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(Br)s1 ZINC000003907378 206994642 /nfs/dbraw/zinc/99/46/42/206994642.db2.gz 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FHAARM CCSCCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000056886149 571342181 /nfs/dbraw/zinc/34/21/81/571342181.db2.gz XLPXAMRSUGODJU-UHFFFAOYSA-N -1 0 370.521 3.631 50 0 FHAARM COc1ccccc1S(=O)(=O)[N-]c1ccc(-c2nc(C)c(C)o2)cc1 ZINC000057120388 571342367 /nfs/dbraw/zinc/34/23/67/571342367.db2.gz BOMWICMYNUTMRA-UHFFFAOYSA-N -1 0 358.419 3.768 50 0 FHAARM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2Cl)c1 ZINC000057498123 571343805 /nfs/dbraw/zinc/34/38/05/571343805.db2.gz RCMAUEZQMPBNOS-UHFFFAOYSA-N -1 0 352.843 3.716 50 0 FHAARM CCCn1c(=O)c2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2[n-]c1=S ZINC000003043476 571344005 /nfs/dbraw/zinc/34/40/05/571344005.db2.gz OXQYIFLLGQXKPZ-STQMWFEESA-N -1 0 359.495 3.587 50 0 FHAARM CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CCCC(=O)[O-] ZINC000003087987 571344635 /nfs/dbraw/zinc/34/46/35/571344635.db2.gz TVYOHPAABIDNKI-UHFFFAOYSA-N -1 0 361.419 3.785 50 0 FHAARM CCOc1ccc2[nH]c(SCc3nc(=O)c4sccc4[n-]3)nc2c1 ZINC000007986939 571358163 /nfs/dbraw/zinc/35/81/63/571358163.db2.gz 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ZINC000002283178 209491105 /nfs/dbraw/zinc/49/11/05/209491105.db2.gz ATMZYNBMUCZMCX-UHFFFAOYSA-N -1 0 366.236 3.950 50 0 FHAARM CCc1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])nc1-c1ccccc1 ZINC000002765212 209397333 /nfs/dbraw/zinc/39/73/33/209397333.db2.gz DWSFNXPIUCUJDC-UONOGXRCSA-N -1 0 356.447 3.978 50 0 FHAARM CC(C)(C)c1cc(CCC(=O)n2[n-]c(=O)ccc2=O)cc(C(C)(C)C)c1O ZINC000000711892 209374420 /nfs/dbraw/zinc/37/44/20/209374420.db2.gz NBQTWKFIGBAONN-UHFFFAOYSA-N -1 0 372.465 3.523 50 0 FHAARM O=C([O-])C1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1 ZINC000238032403 209358054 /nfs/dbraw/zinc/35/80/54/209358054.db2.gz DHQKPHVCGQRHNO-UHFFFAOYSA-N -1 0 373.836 3.856 50 0 FHAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2cnc(-c3ccsc3)s2)C1 ZINC000238021923 209358183 /nfs/dbraw/zinc/35/81/83/209358183.db2.gz QFHYYXHCGVZFNT-LLVKDONJSA-N -1 0 350.465 3.589 50 0 FHAARM O=C([O-])CC[C@H]1CCCCN1C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000237985727 209357935 /nfs/dbraw/zinc/35/79/35/209357935.db2.gz DUXZCOMWGHBGDO-CABCVRRESA-N -1 0 357.372 3.969 50 0 FHAARM O=C([O-])CC[C@H]1CCCCN1C(=O)CCCc1nc2ccccc2s1 ZINC000237981305 209357097 /nfs/dbraw/zinc/35/70/97/209357097.db2.gz YGXDWSKDWJXWMI-CQSZACIVSA-N -1 0 360.479 3.865 50 0 FHAARM COc1ccc(-c2ncc(C(=O)N3CCCC[C@H]3CCC(=O)[O-])s2)cc1 ZINC000237485665 209350428 /nfs/dbraw/zinc/35/04/28/209350428.db2.gz RTBRSNFJLHHLBQ-AWEZNQCLSA-N -1 0 374.462 3.678 50 0 FHAARM CCn1c(=O)c2ccc(C(=O)Nc3ccc(C)cc3C)cc2[n-]c1=S ZINC000102333664 209234870 /nfs/dbraw/zinc/23/48/70/209234870.db2.gz VAOOIFBWBKDSTK-UHFFFAOYSA-N -1 0 353.447 3.574 50 0 FHAARM Cc1nc(-n2[n-]c(C)c(CCC(=O)Nc3ccccc3F)c2=O)sc1C ZINC000101833229 209231329 /nfs/dbraw/zinc/23/13/29/209231329.db2.gz JKYPVOGIVZUJBU-UHFFFAOYSA-N -1 0 374.441 3.670 50 0 FHAARM CCC(NCCC1=CCCCC1)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000101361650 209224884 /nfs/dbraw/zinc/22/48/84/209224884.db2.gz BOMWZVYCLBOQNP-ZCXUNETKSA-N -1 0 373.497 3.542 50 0 FHAARM Cc1nc2[n-]c(Cc3ccc(Cl)cc3)nn2c(=O)c1Cc1ccccc1 ZINC000100650722 209215794 /nfs/dbraw/zinc/21/57/94/209215794.db2.gz ZFCQBULZNLSBMT-UHFFFAOYSA-N -1 0 364.836 3.561 50 0 FHAARM CCCCn1c(=O)c(C(=O)Nc2cccc(F)c2)c([O-])c2ccccc21 ZINC000100504404 209215328 /nfs/dbraw/zinc/21/53/28/209215328.db2.gz YVPLENVXYFVYJC-UHFFFAOYSA-N -1 0 354.381 3.899 50 0 FHAARM O=C(C[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1I ZINC000100449813 209213886 /nfs/dbraw/zinc/21/38/86/209213886.db2.gz RRPWJEVRSVJDIK-PHIMTYICSA-N -1 0 372.202 3.755 50 0 FHAARM CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)c1ccccc1Br ZINC000100299870 209212274 /nfs/dbraw/zinc/21/22/74/209212274.db2.gz QAOYRLLALYQTJF-HNNXBMFYSA-N -1 0 357.207 3.671 50 0 FHAARM Cc1c2ccc(OCc3ccccc3F)cc2oc(=O)c1CCC(=O)[O-] ZINC000002147255 206799711 /nfs/dbraw/zinc/79/97/11/206799711.db2.gz JFSXFAJCPFVYNW-UHFFFAOYSA-N -1 0 356.349 3.837 50 0 biogenic FHAARM CCCOc1ccc(OCCSc2nc(CC(=O)[O-])cs2)cc1 ZINC000012925175 206802022 /nfs/dbraw/zinc/80/20/22/206802022.db2.gz RHXJQWVKJGKNMN-UHFFFAOYSA-N -1 0 353.465 3.730 50 0 FHAARM CCCC[C@H](CC)c1nnc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])s1 ZINC000002805982 206936946 /nfs/dbraw/zinc/93/69/46/206936946.db2.gz RYFGURUWIFMZAX-AVGNSLFASA-N -1 0 351.472 3.827 50 0 FHAARM O=C([O-])c1cc(NC(=S)NC(=O)c2ccccc2Cl)ccc1Cl ZINC000004604051 207032641 /nfs/dbraw/zinc/03/26/41/207032641.db2.gz GPTWFFCQAPRNED-UHFFFAOYSA-N -1 0 369.229 3.818 50 0 FHAARM CCc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)[O-])c3c2)cc1 ZINC000004660892 207035135 /nfs/dbraw/zinc/03/51/35/207035135.db2.gz HENRGIXNZGQUPE-UHFFFAOYSA-N -1 0 359.403 3.803 50 0 FHAARM CCCCOc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000004713584 207040583 /nfs/dbraw/zinc/04/05/83/207040583.db2.gz QDOZPRDERBQTNI-UHFFFAOYSA-N -1 0 362.451 3.625 50 0 FHAARM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)cc1Cl ZINC000004809409 207049371 /nfs/dbraw/zinc/04/93/71/207049371.db2.gz OSBNPTIYJHQZFK-UHFFFAOYSA-N -1 0 372.233 3.679 50 0 FHAARM C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(=O)[O-])C(=O)N2CCC1=CCCCC1 ZINC000004943239 207065351 /nfs/dbraw/zinc/06/53/51/207065351.db2.gz ZVPCCAASSKLGPC-MDKPJZGXSA-N -1 0 355.434 3.702 50 0 FHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3cc(C)ccc3c2)c1 ZINC000005234366 207088858 /nfs/dbraw/zinc/08/88/58/207088858.db2.gz OWIRRHZJXWDRPF-UHFFFAOYSA-N -1 0 357.431 3.966 50 0 FHAARM S=c1[n-]nc(Cc2ccc(Cl)cc2)n1-c1ccc2c(c1)OCCO2 ZINC000005706037 207113087 /nfs/dbraw/zinc/11/30/87/207113087.db2.gz TWAWZXAFRHLNDM-UHFFFAOYSA-N -1 0 359.838 3.945 50 0 FHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000006337989 207136981 /nfs/dbraw/zinc/13/69/81/207136981.db2.gz QTHDVVJUSLBQDK-RTWAWAEBSA-N -1 0 363.457 3.992 50 0 FHAARM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000006623460 207150072 /nfs/dbraw/zinc/15/00/72/207150072.db2.gz YIZBQEAQUMPLHG-UHFFFAOYSA-N -1 0 359.234 3.753 50 0 FHAARM CCc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cccs3)C2)cc1 ZINC000006697552 207154477 /nfs/dbraw/zinc/15/44/77/207154477.db2.gz DGZNNRBMFXQQRV-MRXNPFEDSA-N -1 0 356.447 3.853 50 0 FHAARM Cc1nn(-c2ccccn2)c2ncc(C(=O)c3cc(Cl)ccc3[O-])cc12 ZINC000006831588 207171135 /nfs/dbraw/zinc/17/11/35/207171135.db2.gz UUGDRCKBDVEWQG-UHFFFAOYSA-N -1 0 364.792 3.714 50 0 FHAARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000007505238 207197790 /nfs/dbraw/zinc/19/77/90/207197790.db2.gz UNBCRWPUOJSFEX-UHFFFAOYSA-N -1 0 360.254 3.514 50 0 FHAARM Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1ccc(C(=O)[O-])cc1 ZINC000007699758 207203824 /nfs/dbraw/zinc/20/38/24/207203824.db2.gz SKSRRBODYXZSSK-ZROIWOOFSA-N -1 0 352.415 3.717 50 0 FHAARM Cc1ccc(-c2nnc3n2NC(c2cccs2)=C(CC(=O)[O-])S3)cc1 ZINC000008391849 207232180 /nfs/dbraw/zinc/23/21/80/207232180.db2.gz ZXMMFWWDIMGSEB-CYBMUJFWSA-N -1 0 370.459 3.516 50 0 FHAARM COc1ccc(-c2[nH]nc3nc(-c4ccccc4O)cc(C(=O)[O-])c32)cc1 ZINC000009406685 207269698 /nfs/dbraw/zinc/26/96/98/207269698.db2.gz PYZBNQIUGYQMNZ-UHFFFAOYSA-N -1 0 361.357 3.704 50 0 FHAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3C)s2)n[nH]1 ZINC000009686580 207280940 /nfs/dbraw/zinc/28/09/40/207280940.db2.gz HQQBMEMRGKOJRD-UHFFFAOYSA-N -1 0 351.428 3.695 50 0 FHAARM COCc1c(C(=O)NCc2ccc(C(=O)[O-])cc2)sc2cccc(F)c21 ZINC000012941234 207439409 /nfs/dbraw/zinc/43/94/09/207439409.db2.gz CENHOWCPFRRJNN-UHFFFAOYSA-N -1 0 373.405 3.815 50 0 FHAARM COc1cccc2c1Oc1nc(-c3ccc(C(=O)[O-])cc3)[nH]c(=S)c1C2 ZINC000015830877 207568200 /nfs/dbraw/zinc/56/82/00/207568200.db2.gz XWZGXZAHYHFULN-UHFFFAOYSA-N -1 0 366.398 3.836 50 0 FHAARM COC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000017075092 207607704 /nfs/dbraw/zinc/60/77/04/207607704.db2.gz HBGFBZZIRDBJLS-QWHCGFSZSA-N -1 0 365.451 3.537 50 0 FHAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)o2)n[nH]1 ZINC000021886621 207787116 /nfs/dbraw/zinc/78/71/16/207787116.db2.gz NQWHODSEECPJMR-UHFFFAOYSA-N -1 0 351.815 3.741 50 0 FHAARM CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000032926265 208058238 /nfs/dbraw/zinc/05/82/38/208058238.db2.gz PPPJECAVYKDXBS-UHFFFAOYSA-N -1 0 363.241 3.999 50 0 FHAARM CN(C)c1ccc(-c2nc3cnccn3c2Nc2cccc(C(=O)[O-])c2)cc1 ZINC000035476608 208125987 /nfs/dbraw/zinc/12/59/87/208125987.db2.gz KOYVRYIMVPRKAL-UHFFFAOYSA-N -1 0 373.416 3.904 50 0 FHAARM Cc1cccc(-n2c3nc(C4CC4)cc(C(=O)[O-])c3c(=O)[nH]c2=S)c1C ZINC000036617298 208166616 /nfs/dbraw/zinc/16/66/16/208166616.db2.gz BXCWVRJUYQYDTM-UHFFFAOYSA-N -1 0 367.430 3.636 50 0 FHAARM O=c1nc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)[n-]c2ccsc21 ZINC000037181232 208178510 /nfs/dbraw/zinc/17/85/10/208178510.db2.gz MHMZQRDOPCSUAY-CQSZACIVSA-N -1 0 369.446 3.505 50 0 FHAARM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2c(F)cccc2F)n1 ZINC000046303307 208363710 /nfs/dbraw/zinc/36/37/10/208363710.db2.gz QDPOELTWISFBJM-UHFFFAOYSA-N -1 0 363.389 3.568 50 0 FHAARM O=C([O-])c1cn(-c2ccc(Cl)cc2)c2c1NC(=O)C[C@@H]2c1ccncc1 ZINC000049549934 208420469 /nfs/dbraw/zinc/42/04/69/208420469.db2.gz OPPIYVYCBYVEQZ-CQSZACIVSA-N -1 0 367.792 3.698 50 0 FHAARM CCC1=NO[C@H](Cn2c3cc(C(=O)[O-])ccc3n(C3CCCCC3)c2=O)C1 ZINC000055088844 208465029 /nfs/dbraw/zinc/46/50/29/208465029.db2.gz VAUJWDFKSOZEOD-INIZCTEOSA-N -1 0 371.437 3.561 50 0 FHAARM CSc1ccc(-c2noc(-c3c(=O)[nH]c4ccc(C)cc4c3[O-])n2)cc1 ZINC000065248637 208652576 /nfs/dbraw/zinc/65/25/76/208652576.db2.gz JJRPNKCUVDUEDP-UHFFFAOYSA-N -1 0 365.414 3.981 50 0 FHAARM CSc1ccccc1[N-]S(=O)(=O)c1cc(-c2cc(C)[nH]n2)oc1C ZINC000075519191 208887731 /nfs/dbraw/zinc/88/77/31/208887731.db2.gz BVKQATMRRUDSGC-UHFFFAOYSA-N -1 0 363.464 3.809 50 0 FHAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)c3cccc4cccnc43)C2)cc1 ZINC000095358575 209026789 /nfs/dbraw/zinc/02/67/89/209026789.db2.gz DTKQZHPXJNBXFL-GOSISDBHSA-N -1 0 360.413 3.953 50 0 FHAARM O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc([O-])c(Cl)c1 ZINC000095367631 209032454 /nfs/dbraw/zinc/03/24/54/209032454.db2.gz IJRHSBXTEVHJLV-SFHVURJKSA-N -1 0 359.809 3.698 50 0 FHAARM CSCc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)o1 ZINC000095379439 209041218 /nfs/dbraw/zinc/04/12/18/209041218.db2.gz UBCRSNXXNCPKOD-OAHLLOKOSA-N -1 0 359.447 3.861 50 0 FHAARM O=C([O-])[C@@H]1CCN1C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000095391813 209047177 /nfs/dbraw/zinc/04/71/77/209047177.db2.gz OQAXIIGDXBNFBM-HNNXBMFYSA-N -1 0 354.793 3.787 50 0 FHAARM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1c(Cl)ccnc1Cl ZINC000095452400 209052305 /nfs/dbraw/zinc/05/23/05/209052305.db2.gz FLEWKDGBGSJKKP-UHFFFAOYSA-N -1 0 355.605 3.982 50 0 FHAARM Cc1ccc(C(=O)[O-])c(N2CCC[C@H](c3nc4c(cccc4C)[nH]3)C2)n1 ZINC000096132218 132219840 /nfs/dbraw/zinc/21/98/40/132219840.db2.gz ZIMKPMPFBGJMBM-AWEZNQCLSA-N -1 0 350.422 3.657 50 0 FHAARM O=C([O-])c1ccc(N2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)nc1 ZINC000067947305 136118912 /nfs/dbraw/zinc/11/89/12/136118912.db2.gz MVRHPBZOQZPKOB-HNNXBMFYSA-N -1 0 366.396 3.693 50 0 FHAARM COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@@H](C)C2)cc1 ZINC000064820667 136133897 /nfs/dbraw/zinc/13/38/97/136133897.db2.gz QRKDRKHOXOGXSI-CQSZACIVSA-N -1 0 368.433 3.882 50 0 FHAARM O=C([O-])[C@@]1(Cc2ccc(F)cc2)CCCN(c2cnc3ccccc3n2)C1 ZINC000071589786 136139544 /nfs/dbraw/zinc/13/95/44/136139544.db2.gz QOJJQLHBNKABBR-OAQYLSRUSA-N -1 0 365.408 3.683 50 0 FHAARM O=C([O-])C[C@@H]1c2ccccc2CCN1C(=O)c1ccc2cccc(F)c2n1 ZINC000095530662 209079693 /nfs/dbraw/zinc/07/96/93/209079693.db2.gz QCOSOLQOHHLIEP-GOSISDBHSA-N -1 0 364.376 3.588 50 0 FHAARM O=C([O-])CSc1ccc(C(=O)/C=C\c2ccc3c(c2)OCCO3)cc1F ZINC000096765778 527620941 /nfs/dbraw/zinc/62/09/41/527620941.db2.gz ISKOONUZEZXUQL-RJRFIUFISA-N -1 0 374.389 3.670 50 0 FHAARM CCc1cc(N2CCC(Cc3ccc(Cl)cc3)(C(=O)[O-])CC2)ncn1 ZINC000071774802 536145400 /nfs/dbraw/zinc/14/54/00/536145400.db2.gz QWZIMZPGLMKOGQ-UHFFFAOYSA-N -1 0 359.857 3.606 50 0 FHAARM COc1ccccc1C(=O)Nc1ccc(N2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000064589080 537002028 /nfs/dbraw/zinc/00/20/28/537002028.db2.gz AFEWRLSIIJTTBZ-CQSZACIVSA-N -1 0 368.433 3.882 50 0 FHAARM COc1ccccc1C(=O)Nc1ccc(N2CCC(C)CC2)cc1C(=O)[O-] ZINC000064589066 537002209 /nfs/dbraw/zinc/00/22/09/537002209.db2.gz CJQKJWLUMYRLDJ-UHFFFAOYSA-N -1 0 368.433 3.882 50 0 FHAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000003881298 560191221 /nfs/dbraw/zinc/19/12/21/560191221.db2.gz PWCFGDABSUYDOI-UHFFFAOYSA-N -1 0 366.247 3.642 50 0 in-vitro FHAARM COc1ccc(-c2c3c(nc4c2CCCC4)sc2c3[n-]nnc2=O)cc1 ZINC000000642956 567984727 /nfs/dbraw/zinc/98/47/27/567984727.db2.gz QQLZVCGEFDPJCQ-UHFFFAOYSA-N -1 0 364.430 3.895 50 0 FHAARM O=C([O-])[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000628939 570440466 /nfs/dbraw/zinc/44/04/66/570440466.db2.gz CKLAZLINARHOTG-IBGZPJMESA-N -1 0 351.402 3.875 50 0 FHAARM COc1ccc(CC(=O)N2[N-]C(=S)SC=C2c2ccccc2)cc1 ZINC000000639517 570442339 /nfs/dbraw/zinc/44/23/39/570442339.db2.gz OAVFPJKMWYPDCD-UHFFFAOYSA-N -1 0 356.472 3.601 50 0 FHAARM Cc1nc([N-]S(=O)(=O)c2ccccc2)sc1C(=O)Nc1ccccc1 ZINC000000872862 570462485 /nfs/dbraw/zinc/46/24/85/570462485.db2.gz GKYBLAKCJDEAKK-UHFFFAOYSA-N -1 0 373.459 3.505 50 0 FHAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1O)c1cccc2cccnc21 ZINC000072301038 570493839 /nfs/dbraw/zinc/49/38/39/570493839.db2.gz 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570601986 /nfs/dbraw/zinc/60/19/86/570601986.db2.gz XIFZKLCHTRTJJF-UHFFFAOYSA-N -1 0 362.429 3.987 50 0 FHAARM O=C(c1ccc2[n-]c(=S)oc2c1)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000073424985 570603151 /nfs/dbraw/zinc/60/31/51/570603151.db2.gz TVGLBNMRZTYEDX-STQMWFEESA-N -1 0 364.492 3.617 50 0 FHAARM O=C(CN1C(=O)c2ccccc2N[C@@H]1c1ccccc1)Nc1ccccc1O ZINC000061721004 570632324 /nfs/dbraw/zinc/63/23/24/570632324.db2.gz DUIKETJLVMGYDB-NRFANRHFSA-N -1 0 373.412 3.597 50 0 FHAARM Cc1ccc([C@@H]2SC[C@@H](C(=O)[O-])N2C(=O)c2ccc(Cl)cc2)cc1 ZINC000002758838 570671363 /nfs/dbraw/zinc/67/13/63/570671363.db2.gz MTLFXXMQWHBSAV-RDJZCZTQSA-N -1 0 361.850 3.989 50 0 FHAARM CCCc1cc(C(=O)OCC)c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])s1 ZINC000002767480 570672174 /nfs/dbraw/zinc/67/21/74/570672174.db2.gz FKWCOLVJWHZVLL-CHWSQXEVSA-N -1 0 367.467 3.707 50 0 FHAARM CC1=C(C)C[C@H](C(=O)Nc2cccc(Br)c2)[C@@H](C(=O)[O-])C1 ZINC000002801793 570674073 /nfs/dbraw/zinc/67/40/73/570674073.db2.gz MKGJJHCGSSYNHZ-KBPBESRZSA-N -1 0 352.228 3.835 50 0 FHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(Br)cc1Cl ZINC000000642690 570761176 /nfs/dbraw/zinc/76/11/76/570761176.db2.gz BFVZMTUMIFRQSE-NXEZZACHSA-N -1 0 358.619 3.708 50 0 FHAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Br)cc1Cl ZINC000000641756 570761266 /nfs/dbraw/zinc/76/12/66/570761266.db2.gz CDTMBCYJIUSLRM-ZJUUUORDSA-N -1 0 360.635 3.932 50 0 FHAARM CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000013040629 570772809 /nfs/dbraw/zinc/77/28/09/570772809.db2.gz ABPZUWXFBDGCCW-OAHLLOKOSA-N -1 0 360.479 3.633 50 0 FHAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2cccnc2)c1=O ZINC000013216964 570775632 /nfs/dbraw/zinc/77/56/32/570775632.db2.gz AKFXYCJLNBZLCT-UHFFFAOYSA-N -1 0 351.406 3.545 50 0 FHAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1 ZINC000006480578 570782067 /nfs/dbraw/zinc/78/20/67/570782067.db2.gz WOBUQXYSSHESCO-UHFFFAOYSA-N -1 0 355.415 3.817 50 0 FHAARM CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000013843361 570793024 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Cc1cc(C)c(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c(C)c1 ZINC000005732090 570866963 /nfs/dbraw/zinc/86/69/63/570866963.db2.gz AZJGCHJUXGMPTQ-GOSISDBHSA-N -1 0 350.418 3.519 50 0 FHAARM O=C([O-])c1cnn2c1N[C@@H](c1ccc(Cl)s1)C[C@@H]2C(F)(F)F ZINC000020617209 570922069 /nfs/dbraw/zinc/92/20/69/570922069.db2.gz WUZLBDWVXNBJGV-HTRCEHHLSA-N -1 0 351.737 3.957 50 0 FHAARM CC1(C)Cc2cccc(OCCn3c(=O)c4ccccc4[n-]c3=S)c2O1 ZINC000027223908 571010975 /nfs/dbraw/zinc/01/09/75/571010975.db2.gz DZYMMHMLWKPNGT-UHFFFAOYSA-N -1 0 368.458 3.852 50 0 FHAARM O=C([O-])C1CCC(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CC1 ZINC000262000065 571044787 /nfs/dbraw/zinc/04/47/87/571044787.db2.gz DKNOACIUDVBUJR-UHFFFAOYSA-N -1 0 355.221 3.848 50 0 FHAARM O=C([O-])c1ccccc1SCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000012759160 571078087 /nfs/dbraw/zinc/07/80/87/571078087.db2.gz NHTXNFALOLOKKY-UHFFFAOYSA-N -1 0 353.346 3.717 50 0 FHAARM CCn1nc([N-]S(=O)(=O)c2ccccc2)c2cc3cc(C)ccc3nc21 ZINC000009359365 571106189 /nfs/dbraw/zinc/10/61/89/571106189.db2.gz FEPOCLLVIWLNIC-UHFFFAOYSA-N -1 0 366.446 3.714 50 0 FHAARM O=S(=O)([N-]c1cnc(Oc2ccccc2)nc1)c1ccc(Cl)cc1 ZINC000085557398 571119971 /nfs/dbraw/zinc/11/99/71/571119971.db2.gz LUEWPKOAFXZRSQ-UHFFFAOYSA-N -1 0 361.810 3.723 50 0 FHAARM O=C([O-])C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000263154506 571125131 /nfs/dbraw/zinc/12/51/31/571125131.db2.gz MSQYJRDBFZFVLN-IKGGRYGDSA-N -1 0 361.800 3.915 50 0 FHAARM CC(=O)Nc1cc(NC(=O)CC2(C(=O)[O-])CCCCCC2)c(F)cc1F ZINC000071834549 571126763 /nfs/dbraw/zinc/12/67/63/571126763.db2.gz CINMQAAKFQUVRA-UHFFFAOYSA-N -1 0 368.380 3.677 50 0 FHAARM O=c1c2cc(F)c(Cl)cc2[n-]cc1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000015829427 571130329 /nfs/dbraw/zinc/13/03/29/571130329.db2.gz XBPMVLHREMFQHB-UHFFFAOYSA-N -1 0 373.739 3.844 50 0 FHAARM O=c1c2cc(Cl)c(F)cc2[n-]cc1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000015829431 571130369 /nfs/dbraw/zinc/13/03/69/571130369.db2.gz HTDIOXLAMXVWSZ-UHFFFAOYSA-N -1 0 373.739 3.844 50 0 FHAARM COCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] ZINC000001568752 571132082 /nfs/dbraw/zinc/13/20/82/571132082.db2.gz YPSHUXHIKOOOBP-UHFFFAOYSA-N -1 0 361.992 3.802 50 0 FHAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccn2)c(C)c1Br ZINC000252506881 571133281 /nfs/dbraw/zinc/13/32/81/571133281.db2.gz WCKCXZWHQBFFQR-UHFFFAOYSA-N -1 0 355.257 3.570 50 0 FHAARM CC/N=C1\S/C(=C/c2ccc(-c3ccccc3C(=O)[O-])o2)C(=O)N1CC ZINC000033602602 571134185 /nfs/dbraw/zinc/13/41/85/571134185.db2.gz RTHXJVOHIQUBEZ-DOXJHMMXSA-N -1 0 370.430 3.957 50 0 FHAARM O=C(c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000068740904 571153579 /nfs/dbraw/zinc/15/35/79/571153579.db2.gz GFFLOCJSPKZTQX-UHFFFAOYSA-N -1 0 355.390 3.858 50 0 FHAARM O=C([O-])[C@]1(Cc2ccccc2)CCCN(c2noc(-c3ccccc3)n2)C1 ZINC000071764009 571165855 /nfs/dbraw/zinc/16/58/55/571165855.db2.gz WJJABDYRINLBPJ-NRFANRHFSA-N -1 0 363.417 3.651 50 0 FHAARM CCOC(=O)c1sc2ncc(C(=O)c3cc(F)ccc3[O-])cc2c1C ZINC000005950585 571169093 /nfs/dbraw/zinc/16/90/93/571169093.db2.gz KNACFTSEUZDGFY-UHFFFAOYSA-N -1 0 359.378 3.857 50 0 FHAARM O=C([O-])[C@H]1CC=C(Cl)C[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000004725169 571169866 /nfs/dbraw/zinc/16/98/66/571169866.db2.gz AEPQDFVTKQDLAZ-RYUDHWBXSA-N -1 0 358.619 3.621 50 0 FHAARM O=C([O-])[C@@H]1CC=C(Cl)C[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000004725170 571169873 /nfs/dbraw/zinc/16/98/73/571169873.db2.gz AEPQDFVTKQDLAZ-VXGBXAGGSA-N -1 0 358.619 3.621 50 0 FHAARM O=C([O-])c1cc(-c2cncnc2)c(OCCSc2ccccc2)cc1O ZINC000072133181 571171262 /nfs/dbraw/zinc/17/12/62/571171262.db2.gz NHMDTAVRFNPRIS-UHFFFAOYSA-N -1 0 368.414 3.719 50 0 FHAARM O=C([O-])c1cccc(CC2CC[NH+](Cc3ccccc3C(=O)[O-])CC2)c1 ZINC000072148032 571173836 /nfs/dbraw/zinc/17/38/36/571173836.db2.gz FZAPUVYXEKOSFA-UHFFFAOYSA-N -1 0 353.418 3.538 50 0 FHAARM O=C([O-])c1ccccc1[C@@H]1CCN(C(=O)CCCOc2ccccc2)C1 ZINC000072154753 571175142 /nfs/dbraw/zinc/17/51/42/571175142.db2.gz FAPHBAAJXQGFPR-MRXNPFEDSA-N -1 0 353.418 3.560 50 0 FHAARM O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc(OCc2ccccc2F)cc1 ZINC000299796152 571202244 /nfs/dbraw/zinc/20/22/44/571202244.db2.gz NKBNNKSUOMDPGB-KRWDZBQOSA-N -1 0 371.408 3.874 50 0 FHAARM O=C([O-])CC[C@H]1CCCN(C(=O)CCCOc2ccccc2Cl)C1 ZINC000238000437 571211351 /nfs/dbraw/zinc/21/13/51/571211351.db2.gz NUTOUFZCXDYRCM-CQSZACIVSA-N -1 0 353.846 3.602 50 0 FHAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@H]2c1cccnc1 ZINC000064795470 571243068 /nfs/dbraw/zinc/24/30/68/571243068.db2.gz FXSLFKSUXLDYTP-CYBMUJFWSA-N -1 0 350.399 3.982 50 0 FHAARM Cc1sc(C)c(S(=O)(=O)[N-]c2cccc(F)c2)c1-c1ccno1 ZINC000064845012 571244537 /nfs/dbraw/zinc/24/45/37/571244537.db2.gz YNXIWIGORMNUIL-UHFFFAOYSA-N -1 0 352.412 3.960 50 0 FHAARM COc1cccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2ccno2)c1 ZINC000064844940 571244575 /nfs/dbraw/zinc/24/45/75/571244575.db2.gz WSTRHNXDEWFYGP-UHFFFAOYSA-N -1 0 364.448 3.829 50 0 FHAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3C)o2)c1C ZINC000064958595 571247730 /nfs/dbraw/zinc/24/77/30/571247730.db2.gz CDCBBQUSRBDHNX-UHFFFAOYSA-N -1 0 350.371 3.800 50 0 FHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cnc(C)o2)s1 ZINC000065003963 571250091 /nfs/dbraw/zinc/25/00/91/571250091.db2.gz FUBWFCVYCPZSFX-UHFFFAOYSA-N -1 0 350.421 3.521 50 0 FHAARM O=S(=O)([N-]c1ccc(Cl)cc1F)c1ccc(-c2ccno2)s1 ZINC000065031163 571250876 /nfs/dbraw/zinc/25/08/76/571250876.db2.gz RJKKKDNDWPRSKY-UHFFFAOYSA-N -1 0 358.803 3.996 50 0 FHAARM Cc1nnc(-c2csc(S(=O)(=O)[N-]c3cccc(Cl)c3C)c2)o1 ZINC000065098554 571253916 /nfs/dbraw/zinc/25/39/16/571253916.db2.gz VRVUFTCKKMXGCL-UHFFFAOYSA-N -1 0 369.855 3.869 50 0 FHAARM Cc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000065183850 571256067 /nfs/dbraw/zinc/25/60/67/571256067.db2.gz NRZSGGNQUNRKIT-UHFFFAOYSA-N -1 0 364.496 3.640 50 0 FHAARM Cc1c(C[S@](C)=O)cccc1NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000169988396 571260345 /nfs/dbraw/zinc/26/03/45/571260345.db2.gz DOJWLAOBSLNGIJ-VWLOTQADSA-N -1 0 365.495 3.627 50 0 FHAARM O=C([O-])CCC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1 ZINC000170090679 571262224 /nfs/dbraw/zinc/26/22/24/571262224.db2.gz LFEJLOAXZPKULU-KRWDZBQOSA-N -1 0 356.809 3.883 50 0 FHAARM Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cccc(F)c3)C2)cc1 ZINC000170620213 571268792 /nfs/dbraw/zinc/26/87/92/571268792.db2.gz OITLBHKQCGUDSX-SFHVURJKSA-N -1 0 354.381 3.677 50 0 FHAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000017075226 571274984 /nfs/dbraw/zinc/27/49/84/571274984.db2.gz GWLBDEXJQIOVGY-HZPDHXFCSA-N -1 0 366.417 3.768 50 0 FHAARM Cc1cc(C)cc(COc2ccc3c(C)c(CC(=O)[O-])c(=O)oc3c2)c1 ZINC000002149435 571280776 /nfs/dbraw/zinc/28/07/76/571280776.db2.gz JIFWKYFOJRYKLL-UHFFFAOYSA-N -1 0 352.386 3.924 50 0 biogenic FHAARM COc1ccc(/C=C/C(=O)Nc2c3ccccc3[nH]c2C(=O)[O-])cc1OC ZINC000002403323 571321418 /nfs/dbraw/zinc/32/14/18/571321418.db2.gz SRZPKXTWKKDZER-CSKARUKUSA-N -1 0 366.373 3.535 50 0 FHAARM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(C)cc1C ZINC000013278883 571323197 /nfs/dbraw/zinc/32/31/97/571323197.db2.gz ULMKORFZJILWFG-UHFFFAOYSA-N -1 0 351.449 3.524 50 0 FHAARM Cc1ccc(Nc2nn(CCC(=O)[O-])c(=S)n2-c2ccc(C)cc2)cc1 ZINC000019338512 571324621 /nfs/dbraw/zinc/32/46/21/571324621.db2.gz MRHMSLURXGKWLE-UHFFFAOYSA-N -1 0 368.462 3.660 50 0 FHAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000020921276 571331969 /nfs/dbraw/zinc/33/19/69/571331969.db2.gz YFWQVODIMDLADL-CVEARBPZSA-N -1 0 351.402 3.747 50 0 FHAARM Cc1cc2ccccc2n1-c1ccc(C(=O)N2CCC(C(=O)[O-])CC2)s1 ZINC000021163283 571333325 /nfs/dbraw/zinc/33/33/25/571333325.db2.gz GSBMQDQLXVOMFH-UHFFFAOYSA-N -1 0 368.458 3.937 50 0 FHAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)c2)no1 ZINC000021701630 571335541 /nfs/dbraw/zinc/33/55/41/571335541.db2.gz PEWRRRCRFLLMSD-UHFFFAOYSA-N -1 0 369.855 3.869 50 0 FHAARM CCOc1cc(/C=C\c2ncc(C(=O)[O-])s2)cc(Br)c1O ZINC000096402122 571335839 /nfs/dbraw/zinc/33/58/39/571335839.db2.gz ZNWFRPPYTSCKJT-ARJAWSKDSA-N -1 0 370.224 3.879 50 0 FHAARM O=S(=O)([N-]c1nnc(C2CCCCC2)s1)c1cccc2cccnc21 ZINC000028225482 571338531 /nfs/dbraw/zinc/33/85/31/571338531.db2.gz KEZZRTVQYVIWAS-UHFFFAOYSA-N -1 0 374.491 3.935 50 0 FHAARM CCOc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1OCC ZINC000003330417 571347525 /nfs/dbraw/zinc/34/75/25/571347525.db2.gz BSYJPLIKTPGEAG-UHFFFAOYSA-N -1 0 357.378 3.563 50 0 FHAARM C[C@@H]1CCC[C@H](NC(=O)CCCn2c(=O)c3ccccc3[n-]c2=S)[C@@H]1C ZINC000003911836 571353240 /nfs/dbraw/zinc/35/32/40/571353240.db2.gz QFCMWBXCYIESJC-FMKPAKJESA-N -1 0 373.522 3.780 50 0 FHAARM CC(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000001051088 219359598 /nfs/dbraw/zinc/35/95/98/219359598.db2.gz KRFBCGSOOVBQEH-UHFFFAOYSA-N -1 0 368.458 3.779 50 0 FHAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000001072689 219364260 /nfs/dbraw/zinc/36/42/60/219364260.db2.gz OCMRFULKMXYDHL-UHFFFAOYSA-N -1 0 359.234 3.617 50 0 FHAARM O=C([O-])CCCC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000001117794 219373354 /nfs/dbraw/zinc/37/33/54/219373354.db2.gz NHGOZOMKVBRHBF-UHFFFAOYSA-N -1 0 351.362 3.597 50 0 FHAARM Cc1cc(=O)oc2cc(NC(=S)Nc3ccc(CC(=O)[O-])cc3)ccc12 ZINC000001122046 219373852 /nfs/dbraw/zinc/37/38/52/219373852.db2.gz DXXMUFXQRVTGDB-UHFFFAOYSA-N -1 0 368.414 3.537 50 0 FHAARM COc1ccc2nc([N-]c3ncc4c(n3)CC(C)(C)CC4=O)nc(C)c2c1 ZINC000001139961 219378707 /nfs/dbraw/zinc/37/87/07/219378707.db2.gz HMXJYFBZWXKYSZ-UHFFFAOYSA-N -1 0 363.421 3.636 50 0 FHAARM COc1c(Cl)cc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1Cl ZINC000013955202 209586021 /nfs/dbraw/zinc/58/60/21/209586021.db2.gz DJKZIKUASRDGDK-UHFFFAOYSA-N -1 0 370.188 3.718 50 0 FHAARM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1cccc2cccnc21 ZINC000006416289 209450926 /nfs/dbraw/zinc/45/09/26/209450926.db2.gz YKMLNOALIQWIBL-UHFFFAOYSA-N -1 0 350.346 3.637 50 0 FHAARM C[C@H]1CCCC[C@H]1NC(=O)CCCn1c(=O)c2ccccc2[n-]c1=S ZINC000002972090 209398788 /nfs/dbraw/zinc/39/87/88/209398788.db2.gz PUYPSIUVFXFIKK-DZGCQCFKSA-N -1 0 359.495 3.534 50 0 FHAARM CCc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])nc1-c1ccccc1 ZINC000002765215 209397782 /nfs/dbraw/zinc/39/77/82/209397782.db2.gz DWSFNXPIUCUJDC-KGLIPLIRSA-N -1 0 356.447 3.978 50 0 FHAARM COc1ccc(-c2oc3ccc(C)cc3c(=O)c2O[C@@H](C)C(=O)[O-])cc1 ZINC000001951621 209392531 /nfs/dbraw/zinc/39/25/31/209392531.db2.gz NABFIHQIJTXQLN-LBPRGKRZSA-N -1 0 354.358 3.629 50 0 FHAARM Cc1ccc(Nc2nccc(Nc3ccc(O)c(C(=O)[O-])c3)n2)c(C)c1 ZINC000170621823 209375395 /nfs/dbraw/zinc/37/53/95/209375395.db2.gz KWIMMRQSMIOTBU-UHFFFAOYSA-N -1 0 350.378 3.984 50 0 FHAARM O=C([O-])CCN(C(=O)c1ccc(C2CCCCC2)cc1)C1CCOCC1 ZINC000238078128 209358740 /nfs/dbraw/zinc/35/87/40/209358740.db2.gz MOLJBNMIHDHVQL-UHFFFAOYSA-N -1 0 359.466 3.830 50 0 FHAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc(-c3cccc(Cl)c3)no2)C1 ZINC000238018134 209358638 /nfs/dbraw/zinc/35/86/38/209358638.db2.gz KSYIPEPEGBEQFS-GFCCVEGCSA-N -1 0 362.813 3.712 50 0 FHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)C1 ZINC000237962267 209355659 /nfs/dbraw/zinc/35/56/59/209355659.db2.gz RBKLSZQUWWQIAD-NWANDNLSSA-N -1 0 369.383 3.912 50 0 FHAARM C[C@H](Cc1ccccc1F)C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237558876 209350422 /nfs/dbraw/zinc/35/04/22/209350422.db2.gz WEVDDIGIJXRHHZ-MRXNPFEDSA-N -1 0 369.436 3.649 50 0 FHAARM COc1ccc(-c2ncc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)s2)cc1 ZINC000237485904 209349756 /nfs/dbraw/zinc/34/97/56/209349756.db2.gz PJUXZAQRCQZFEX-ZDUSSCGKSA-N -1 0 374.462 3.536 50 0 FHAARM O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1ncccc1[O-] ZINC000116987185 209347316 /nfs/dbraw/zinc/34/73/16/209347316.db2.gz FJAQIGYSWWICOZ-RUZDIDTESA-N -1 0 358.463 3.621 50 0 FHAARM Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000106724102 209274166 /nfs/dbraw/zinc/27/41/66/209274166.db2.gz RADYBPRDCRKXSS-UHFFFAOYSA-N -1 0 361.854 3.943 50 0 FHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(C)c4C)c=3c2=O)cc1Cl ZINC000101398576 209225511 /nfs/dbraw/zinc/22/55/11/209225511.db2.gz SNNHXFJWNCLNET-IRXDYDNUSA-N -1 0 368.824 3.763 50 0 FHAARM Cc1cc([C@@H]2C([O-])=C(C(=O)c3ccc(Cl)cc3)C(=O)CC2(C)C)on1 ZINC000100551809 209214575 /nfs/dbraw/zinc/21/45/75/209214575.db2.gz KCFZLJTYWBJNEP-JKSUJKDBSA-N -1 0 359.809 3.787 50 0 FHAARM COc1ccccc1NC(=O)c1c([O-])c2ccccc2n(CC(C)C)c1=O ZINC000100449635 209213109 /nfs/dbraw/zinc/21/31/09/209213109.db2.gz WTOXSEYZXHRGFV-UHFFFAOYSA-N -1 0 366.417 3.624 50 0 FHAARM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)/C=C\c1ccccc1 ZINC000098056503 209203190 /nfs/dbraw/zinc/20/31/90/209203190.db2.gz GXZNJIXZTOPBRJ-KTKRTIGZSA-N -1 0 351.811 3.759 50 0 FHAARM COc1ccc(S(=O)(=O)[N-]c2c(C)cnn2-c2ccccc2)c(C)c1C ZINC000097013518 209167190 /nfs/dbraw/zinc/16/71/90/209167190.db2.gz WHDISKNFYQLKDL-UHFFFAOYSA-N -1 0 371.462 3.607 50 0 FHAARM O=C([O-])CCn1c(/C=C\c2ccc(Cl)s2)nc2ccccc2c1=O ZINC000097035228 209168218 /nfs/dbraw/zinc/16/82/18/209168218.db2.gz AYMONPJAYRGKDZ-VURMDHGXSA-N -1 0 360.822 3.757 50 0 FHAARM Cc1nnc(-c2[nH]c(C)c(S(=O)(=O)[N-]c3ccccc3C(C)C)c2C)o1 ZINC000096379396 209152343 /nfs/dbraw/zinc/15/23/43/209152343.db2.gz PWNPMAGDXIFCCG-UHFFFAOYSA-N -1 0 374.466 3.914 50 0 FHAARM CCc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2cc(C)ccc2C)n1 ZINC000096379789 209151660 /nfs/dbraw/zinc/15/16/60/209151660.db2.gz QWPRTVMBIKUOAE-UHFFFAOYSA-N -1 0 374.466 3.662 50 0 FHAARM COc1ccccc1[C@H]1CC(c2ccccc2)=NN1C(=O)CCCC(=O)[O-] ZINC000000907711 206845847 /nfs/dbraw/zinc/84/58/47/206845847.db2.gz XNAGMJUKODEKFT-GOSISDBHSA-N -1 0 366.417 3.628 50 0 FHAARM CCOC(=O)c1cnc2c(OC)cccc2c1Nc1cccc(C(=O)[O-])c1 ZINC000000953664 206849447 /nfs/dbraw/zinc/84/94/47/206849447.db2.gz JKRPVCBEXDMTOL-UHFFFAOYSA-N -1 0 366.373 3.862 50 0 FHAARM CN(C(=O)[C@H]1CC[C@@H]1C(=O)[O-])c1nc(-c2ccc(Cl)s2)cs1 ZINC000001028528 206854506 /nfs/dbraw/zinc/85/45/06/206854506.db2.gz TXVSFPFERYOHLE-YUMQZZPRSA-N -1 0 356.856 3.599 50 0 FHAARM Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)c1ccccc1C(=O)[O-] ZINC000001033889 206856395 /nfs/dbraw/zinc/85/63/95/206856395.db2.gz NUNWXHXBPCJEOP-UHFFFAOYSA-N -1 0 355.781 3.691 50 0 FHAARM Cc1ccc(N2C(=O)S[C@H](Nc3ccccc3C(=O)[O-])C2=O)cc1C ZINC000002709837 206929081 /nfs/dbraw/zinc/92/90/81/206929081.db2.gz CZHWCCHXOJBJQE-HNNXBMFYSA-N -1 0 356.403 3.640 50 0 FHAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000003082306 206957372 /nfs/dbraw/zinc/95/73/72/206957372.db2.gz QVEDURKSSUBWSO-HXUWFJFHSA-N -1 0 359.425 3.631 50 0 FHAARM Cc1ccc(C(=O)N2[C@@H](C(=O)[O-])CS[C@H]2c2ccccc2Cl)cc1 ZINC000003620464 206986813 /nfs/dbraw/zinc/98/68/13/206986813.db2.gz BDCKQLQRWJGVHI-WBVHZDCISA-N -1 0 361.850 3.989 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]c(C(F)(F)F)nc32)cc1 ZINC000004625250 207033348 /nfs/dbraw/zinc/03/33/48/207033348.db2.gz LYFAHPBMGPHVFA-UHFFFAOYSA-N -1 0 355.341 3.691 50 0 FHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000004674047 207036800 /nfs/dbraw/zinc/03/68/00/207036800.db2.gz HBTVQFBGLLYDRU-UHFFFAOYSA-N -1 0 362.234 3.811 50 0 FHAARM CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000004742587 207045027 /nfs/dbraw/zinc/04/50/27/207045027.db2.gz HIEKNBMCGKMBET-UHFFFAOYSA-N -1 0 360.479 3.552 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCC(C)CC2)cc1 ZINC000004756865 207046307 /nfs/dbraw/zinc/04/63/07/207046307.db2.gz XNIZYJIDYNKHOU-UHFFFAOYSA-N -1 0 372.490 3.668 50 0 FHAARM COc1cc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)ccc1OC(C)=O ZINC000004868762 207056812 /nfs/dbraw/zinc/05/68/12/207056812.db2.gz SFBFKJBIFWQOIA-UHFFFAOYSA-N -1 0 370.188 3.885 50 0 FHAARM CCOc1cc(Cl)c(S(=O)(=O)[N-]c2ncccc2C)cc1Cl ZINC000004913624 207061884 /nfs/dbraw/zinc/06/18/84/207061884.db2.gz RAOPSNKBSVJSRU-UHFFFAOYSA-N -1 0 361.250 3.896 50 0 FHAARM O=C([O-])CCCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 ZINC000005024694 207072300 /nfs/dbraw/zinc/07/23/00/207072300.db2.gz RXBZSBOWWPVZDN-HNNXBMFYSA-N -1 0 360.410 3.820 50 0 FHAARM O=C(NCc1n[n-]c(=S)n1-c1cccc(Cl)c1)c1cccs1 ZINC000005128728 207083703 /nfs/dbraw/zinc/08/37/03/207083703.db2.gz CFYACAXIUSWRGV-UHFFFAOYSA-N -1 0 350.856 3.575 50 0 FHAARM CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)[O-])cc1 ZINC000005839959 207119037 /nfs/dbraw/zinc/11/90/37/207119037.db2.gz SNVHTXVPKGQJDF-UHFFFAOYSA-N -1 0 356.447 3.809 50 0 FHAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccccc1-c1ccccc1 ZINC000006268751 207135693 /nfs/dbraw/zinc/13/56/93/207135693.db2.gz CMYXGSRFUQGYTJ-UHFFFAOYSA-N -1 0 366.442 3.977 50 0 FHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(=O)C2CCC2)c1 ZINC000006176908 207131727 /nfs/dbraw/zinc/13/17/27/207131727.db2.gz GICNLQGXIZXLIQ-UHFFFAOYSA-N -1 0 374.462 3.543 50 0 FHAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000006402439 207139983 /nfs/dbraw/zinc/13/99/83/207139983.db2.gz SIBIDPBYKKSKCA-OTGCGEFBSA-N -1 0 364.445 3.748 50 0 FHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000006590100 207147617 /nfs/dbraw/zinc/14/76/17/207147617.db2.gz ICVUHQWTNCQJBA-GJZGRUSLSA-N -1 0 367.430 3.668 50 0 FHAARM CCc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cccs3)C2)cc1 ZINC000006697551 207154165 /nfs/dbraw/zinc/15/41/65/207154165.db2.gz DGZNNRBMFXQQRV-INIZCTEOSA-N -1 0 356.447 3.853 50 0 FHAARM Cc1ccccc1NC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCC2 ZINC000006698982 207154289 /nfs/dbraw/zinc/15/42/89/207154289.db2.gz FMVJPUKOASWOLS-UHFFFAOYSA-N -1 0 372.446 3.601 50 0 FHAARM CCc1cc2c(nc(C(C)C)nc2N[C@@H](CCSC)C(=O)[O-])s1 ZINC000008704568 207241842 /nfs/dbraw/zinc/24/18/42/207241842.db2.gz UOLMHCPXBOGLCF-LBPRGKRZSA-N -1 0 353.513 3.995 50 0 FHAARM COc1cc(C(=O)[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000008470217 207233916 /nfs/dbraw/zinc/23/39/16/207233916.db2.gz DIEIQDRKSNUYRK-UHFFFAOYSA-N -1 0 355.159 3.874 50 0 FHAARM COc1ccc(Cc2nnc(Nc3ccc(C)c(C)c3)[n-]c2=O)cc1OC ZINC000008741323 207246366 /nfs/dbraw/zinc/24/63/66/207246366.db2.gz VHNZKIWLWSCPSB-UHFFFAOYSA-N -1 0 366.421 3.546 50 0 FHAARM O=c1nc(SCc2ccc(F)cc2)nc2c(-c3ccc(F)cc3)c[n-]n21 ZINC000009106825 207257085 /nfs/dbraw/zinc/25/70/85/207257085.db2.gz SJFGLFOZKVGQBG-UHFFFAOYSA-N -1 0 370.384 3.655 50 0 FHAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cccc(C(C)C)c1 ZINC000009378639 207269488 /nfs/dbraw/zinc/26/94/88/207269488.db2.gz YDZWSJXRFGSVJY-UHFFFAOYSA-N -1 0 362.451 3.578 50 0 FHAARM O=c1nc(CSCc2cc3c(c(Cl)c2)OCO3)[n-]c2ccsc21 ZINC000009642683 207280461 /nfs/dbraw/zinc/28/04/61/207280461.db2.gz XNABHBOEUJBGIK-UHFFFAOYSA-N -1 0 366.851 3.800 50 0 FHAARM CCSc1nnc([N-]C(=O)c2cc(-c3ccc(OC)cc3)on2)s1 ZINC000011915595 207329482 /nfs/dbraw/zinc/32/94/82/207329482.db2.gz VJITTZKSYJQFKT-UHFFFAOYSA-N -1 0 362.436 3.566 50 0 FHAARM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc2ccccc2o1 ZINC000012225965 207350170 /nfs/dbraw/zinc/35/01/70/207350170.db2.gz LPXOQNKUDWGUAD-UHFFFAOYSA-N -1 0 367.430 3.783 50 0 FHAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)o2)n[nH]1 ZINC000021886633 207787482 /nfs/dbraw/zinc/78/74/82/207787482.db2.gz GRMNWPSBONPWLL-UHFFFAOYSA-N -1 0 355.778 3.571 50 0 FHAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(SC)cc2)cc1Cl ZINC000030954989 208008002 /nfs/dbraw/zinc/00/80/02/208008002.db2.gz PXKXYTIEYZGZQI-UHFFFAOYSA-N -1 0 373.883 3.880 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)c(Cl)c1 ZINC000031722448 208016283 /nfs/dbraw/zinc/01/62/83/208016283.db2.gz 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COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2cccnc2)CC(=O)N3)cc1 ZINC000040310145 208177588 /nfs/dbraw/zinc/17/75/88/208177588.db2.gz CPRLELMSPPABBX-HNNXBMFYSA-N -1 0 363.373 3.703 50 0 FHAARM O=C([O-])[C@@H]1CCCC[C@@H]1CC(=O)c1ccc(I)cc1 ZINC000043879342 208309374 /nfs/dbraw/zinc/30/93/74/208309374.db2.gz PBRAGIZIEINLNK-DGCLKSJQSA-N -1 0 372.202 3.755 50 0 FHAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000055150727 208468838 /nfs/dbraw/zinc/46/88/38/208468838.db2.gz AWBUDQIDZBSWGB-UHFFFAOYSA-N -1 0 360.454 3.532 50 0 FHAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)s2)cc1 ZINC000064920340 208627225 /nfs/dbraw/zinc/62/72/25/208627225.db2.gz IAVMYPSDLHEBAX-UHFFFAOYSA-N -1 0 361.448 3.785 50 0 FHAARM COc1cc(-c2ccno2)ccc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000064979589 208628748 /nfs/dbraw/zinc/62/87/48/208628748.db2.gz UKVDUPZBLDUBRR-UHFFFAOYSA-N -1 0 362.382 3.599 50 0 FHAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)o2)cc1 ZINC000065246395 208651935 /nfs/dbraw/zinc/65/19/35/208651935.db2.gz FCRMUBQXTCCGIE-UHFFFAOYSA-N -1 0 359.407 3.706 50 0 FHAARM Cc1nc(C(C)C)sc1C(=O)N1CC[C@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000072156381 208815333 /nfs/dbraw/zinc/81/53/33/208815333.db2.gz XZOFCSJZSPAFGH-OAHLLOKOSA-N -1 0 372.490 3.978 50 0 FHAARM O=C([O-])CCNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000072401650 208844908 /nfs/dbraw/zinc/84/49/08/208844908.db2.gz ZWKSCEJOJLSLRW-UHFFFAOYSA-N -1 0 354.793 3.760 50 0 FHAARM O=C([O-])CC1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCC1 ZINC000072481789 208877137 /nfs/dbraw/zinc/87/71/37/208877137.db2.gz MPIXHDNMTIOCPW-UHFFFAOYSA-N -1 0 351.402 3.923 50 0 FHAARM O=C([O-])[C@@H](c1cc2ccccc2o1)N1CCC(O)(c2ccccc2)CC1 ZINC000095390599 209045635 /nfs/dbraw/zinc/04/56/35/209045635.db2.gz ZCHHTVVKGWZHFQ-LJQANCHMSA-N -1 0 351.402 3.542 50 0 FHAARM O=C([O-])[C@H]1CCN1C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000095391812 209047543 /nfs/dbraw/zinc/04/75/43/209047543.db2.gz OQAXIIGDXBNFBM-OAHLLOKOSA-N -1 0 354.793 3.787 50 0 FHAARM CC1CCN(C(=O)c2ccccc2NC(=O)CC2(C(=O)[O-])CCCC2)CC1 ZINC000095953186 209090298 /nfs/dbraw/zinc/09/02/98/209090298.db2.gz VTCVLIHIUKIFOT-UHFFFAOYSA-N -1 0 372.465 3.532 50 0 FHAARM CCC(CC)n1nccc1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000095464068 209055857 /nfs/dbraw/zinc/05/58/57/209055857.db2.gz KNXVGKLGRSVNFP-UHFFFAOYSA-N -1 0 365.817 3.613 50 0 FHAARM O=C([O-])c1ccc([C@H]2SCC(=O)Nc3ncn(-c4ccccc4)c32)cc1 ZINC000095474382 209056448 /nfs/dbraw/zinc/05/64/48/209056448.db2.gz BXNXFYRTAQXOCS-QGZVFWFLSA-N -1 0 365.414 3.995 50 0 FHAARM CC(C)c1ccc(-c2nc(CC(=O)N3CCC[C@H](C(=O)[O-])C3)cs2)cc1 ZINC000020729794 519833912 /nfs/dbraw/zinc/83/39/12/519833912.db2.gz QMTNKJAVXKOFDP-INIZCTEOSA-N -1 0 372.490 3.799 50 0 FHAARM O=C([O-])[C@@H](CNC(=O)c1ccc2ccccc2c1)c1c[nH]c2ccccc21 ZINC000058297516 527646475 /nfs/dbraw/zinc/64/64/75/527646475.db2.gz HTGXXUUFNDPBES-IBGZPJMESA-N -1 0 358.397 3.919 50 0 FHAARM O=S1(=O)[N-]C(SCc2cccc(Cl)c2)=Nc2ccc(F)cc21 ZINC000012361120 568386273 /nfs/dbraw/zinc/38/62/73/568386273.db2.gz RMJGTSCFCWLKFD-UHFFFAOYSA-N -1 0 356.831 3.883 50 0 FHAARM O=c1c2c3ccc(Br)c([O-])c3sc2nc2n1CCCCC2 ZINC000000754392 570454882 /nfs/dbraw/zinc/45/48/82/570454882.db2.gz RQMWBTWRTLMLKX-UHFFFAOYSA-N -1 0 365.252 3.806 50 0 aggregator FHAARM CSc1ccccc1N1C(=O)C[C@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000000864989 570462041 /nfs/dbraw/zinc/46/20/41/570462041.db2.gz PTDOLCZLQYOHHN-HNNXBMFYSA-N -1 0 373.455 3.531 50 0 FHAARM COc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)sc2c1 ZINC000000939935 570464524 /nfs/dbraw/zinc/46/45/24/570464524.db2.gz XOIDPDCGYLDBJR-UHFFFAOYSA-N -1 0 354.840 3.759 50 0 FHAARM COc1cccc(Oc2c(C)oc3cc(O[C@H](C)C(=O)[O-])ccc3c2=O)c1 ZINC000000941310 570464755 /nfs/dbraw/zinc/46/47/55/570464755.db2.gz HLUORTAUZUVICU-GFCCVEGCSA-N -1 0 370.357 3.754 50 0 FHAARM O=C([O-])c1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000000988871 570468690 /nfs/dbraw/zinc/46/86/90/570468690.db2.gz QNNOKAUNPFYKNS-UHFFFAOYSA-N -1 0 360.369 3.889 50 0 biogenic FHAARM COc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cc1 ZINC000001000339 570470287 /nfs/dbraw/zinc/47/02/87/570470287.db2.gz OUNVWYSIBMTJAE-DHZHZOJOSA-N -1 0 357.431 3.986 50 0 FHAARM Cc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2C)cc1Cl ZINC000001158402 570485351 /nfs/dbraw/zinc/48/53/51/570485351.db2.gz SOSUGCSHWPJCQZ-UHFFFAOYSA-N -1 0 362.838 3.782 50 0 FHAARM CCCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000002486634 570522255 /nfs/dbraw/zinc/52/22/55/570522255.db2.gz GLKFRBLCHHSNLL-CHWSQXEVSA-N -1 0 367.467 3.761 50 0 FHAARM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)sc2C)cc1 ZINC000024070834 570549528 /nfs/dbraw/zinc/54/95/28/570549528.db2.gz AXRRWCCCZUBPQO-UHFFFAOYSA-N -1 0 366.508 3.648 50 0 FHAARM CN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc3c(c2)OCO3)C1 ZINC000003885062 570570323 /nfs/dbraw/zinc/57/03/23/570570323.db2.gz WZPFLPZHLBODBD-RIYZIHGNSA-N -1 0 374.396 3.648 50 0 FHAARM CCOC(=O)c1cc(C(C)C)sc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004124319 570577588 /nfs/dbraw/zinc/57/75/88/570577588.db2.gz CSYCIEPFSHFTIM-NEPJUHHUSA-N -1 0 365.451 3.654 50 0 FHAARM O=C(c1ccc2[n-]c(=S)oc2c1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000073424982 570603136 /nfs/dbraw/zinc/60/31/36/570603136.db2.gz TVGLBNMRZTYEDX-OLZOCXBDSA-N -1 0 364.492 3.617 50 0 FHAARM O=C([O-])[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl)c1ccc(F)cc1 ZINC000262808604 570624651 /nfs/dbraw/zinc/62/46/51/570624651.db2.gz DFLYOLMMAJLXLT-OWCLPIDISA-N -1 0 361.800 3.567 50 0 FHAARM O=S1(=O)C(=C([O-])c2ccccc2)[C@H](c2ccccc2)N1c1ccccc1 ZINC000005489970 570628311 /nfs/dbraw/zinc/62/83/11/570628311.db2.gz FRDSSBNETAPDAZ-PZJWPPBQSA-N -1 0 363.438 3.829 50 0 FHAARM CCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(C)s3)cc21 ZINC000017247989 570747763 /nfs/dbraw/zinc/74/77/63/570747763.db2.gz WTHSGPZQYHCDSF-UHFFFAOYSA-N -1 0 364.492 3.547 50 0 FHAARM Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000000094950 570759258 /nfs/dbraw/zinc/75/92/58/570759258.db2.gz ZAUOJLMHYORADD-CYBMUJFWSA-N -1 0 350.802 3.533 50 0 FHAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Br)cc1Cl ZINC000000641752 570761253 /nfs/dbraw/zinc/76/12/53/570761253.db2.gz CDTMBCYJIUSLRM-NXEZZACHSA-N -1 0 360.635 3.932 50 0 FHAARM Cc1cc(C)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(C)c1 ZINC000002685279 570768185 /nfs/dbraw/zinc/76/81/85/570768185.db2.gz FYRWXOGSDMPTIR-UHFFFAOYSA-N -1 0 353.827 3.764 50 0 FHAARM O=C([O-])[C@@H]1CN(C(=O)c2csc(-c3ccsc3)n2)c2ccccc21 ZINC000177477845 570776938 /nfs/dbraw/zinc/77/69/38/570776938.db2.gz KGCCIFYGCGJNEG-GFCCVEGCSA-N -1 0 356.428 3.700 50 0 FHAARM Cc1onc(-c2cc(Br)cc(Br)c2)c1C(=O)[O-] ZINC000394049816 570777488 /nfs/dbraw/zinc/77/74/88/570777488.db2.gz FRXYEFNOZWWYFD-UHFFFAOYSA-N -1 0 360.989 3.873 50 0 FHAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000007053144 570789136 /nfs/dbraw/zinc/78/91/36/570789136.db2.gz NXYPPKRFOAIERB-UHFFFAOYSA-N -1 0 370.268 3.875 50 0 FHAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)[O-] ZINC000014632501 570821387 /nfs/dbraw/zinc/82/13/87/570821387.db2.gz WFQUNWNJIHKUTH-HOTGVXAUSA-N -1 0 363.454 3.826 50 0 FHAARM CCCn1c(=O)c(-c2nc(-c3cccc(F)c3)no2)c([O-])c2ccccc21 ZINC000101725352 570822833 /nfs/dbraw/zinc/82/28/33/570822833.db2.gz XXRSHBVOCLIGKL-UHFFFAOYSA-N -1 0 365.364 3.973 50 0 FHAARM CCn1c(=O)c(-c2nc(-c3ccc(F)c(F)c3)no2)c([O-])c2ccccc21 ZINC000101725463 570822922 /nfs/dbraw/zinc/82/29/22/570822922.db2.gz YYSPYLASYDGZES-UHFFFAOYSA-N -1 0 369.327 3.722 50 0 FHAARM CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000014869514 570824920 /nfs/dbraw/zinc/82/49/20/570824920.db2.gz SSPTXLCFBCUCOU-UHFFFAOYSA-N -1 0 372.490 3.895 50 0 FHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(C(F)(F)F)c4)c=3c2=O)cc1 ZINC000102807513 570838108 /nfs/dbraw/zinc/83/81/08/570838108.db2.gz AFCHXXFHDJJCDW-GJZGRUSLSA-N -1 0 374.322 3.512 50 0 FHAARM O=C(Nc1ccc(Oc2ccccc2)cc1)C([O-])=C1C(=O)Nc2ccccc21 ZINC000103445598 570850146 /nfs/dbraw/zinc/85/01/46/570850146.db2.gz VEZOTHCGGRXUMK-IBGZPJMESA-N -1 0 372.380 3.722 50 0 FHAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1cc(F)ccc1C ZINC000016205941 570852283 /nfs/dbraw/zinc/85/22/83/570852283.db2.gz JKGJKTFKRATPEZ-UHFFFAOYSA-N -1 0 371.387 3.632 50 0 FHAARM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000016478700 570857170 /nfs/dbraw/zinc/85/71/70/570857170.db2.gz RXDXMMXCECPGBJ-UHFFFAOYSA-N -1 0 370.453 3.501 50 0 FHAARM Cc1cccc(CS(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCC2)c1 ZINC000016579850 570858127 /nfs/dbraw/zinc/85/81/27/570858127.db2.gz PNONMTLCUCUHOT-UHFFFAOYSA-N -1 0 372.490 3.563 50 0 FHAARM Cn1cc(Cn2c(=O)c3cc(-c4ccccc4)sc3[n-]c2=S)cn1 ZINC000017073343 570866137 /nfs/dbraw/zinc/86/61/37/570866137.db2.gz RRIQCGPNIXBFOQ-UHFFFAOYSA-N -1 0 354.460 3.569 50 0 FHAARM C[C@H]1CCc2c(sc3[n-]c(=S)n(CCCn4ccnc4)c(=O)c23)C1 ZINC000017074317 570867056 /nfs/dbraw/zinc/86/70/56/570867056.db2.gz ACVNTANJFBPFPK-NSHDSACASA-N -1 0 360.508 3.532 50 0 FHAARM Cc1ccc(-c2csc(NC(=O)C[C@@H](C)CC(=O)[O-])c2C(N)=O)cc1C ZINC000017076615 570868155 /nfs/dbraw/zinc/86/81/55/570868155.db2.gz BCDZOBYBJXMTRN-SNVBAGLBSA-N -1 0 374.462 3.570 50 0 FHAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)cc1 ZINC000048345677 570949150 /nfs/dbraw/zinc/94/91/50/570949150.db2.gz UMCVKBYNCVYEAJ-UHFFFAOYSA-N -1 0 368.414 3.877 50 0 FHAARM Cc1cc(-c2csc(C)n2)c(C)n1CC(=O)[N-]OCc1ccccc1 ZINC000025039299 570989142 /nfs/dbraw/zinc/98/91/42/570989142.db2.gz FZHPMDADDSKPCO-UHFFFAOYSA-N -1 0 355.463 3.785 50 0 FHAARM CC(=O)Nc1cc(NC(=O)CC2(CC(=O)[O-])CCCCC2)c(F)cc1F ZINC000066873825 571041373 /nfs/dbraw/zinc/04/13/73/571041373.db2.gz DDEHIBWUQGPNSV-UHFFFAOYSA-N -1 0 368.380 3.677 50 0 FHAARM Cn1nc(-c2ccncc2)cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000072301882 571055462 /nfs/dbraw/zinc/05/54/62/571055462.db2.gz FHNTXSMVSIOYDE-UHFFFAOYSA-N -1 0 370.478 3.580 50 0 FHAARM CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(CC(=O)[O-])C1=O ZINC000096297636 571063751 /nfs/dbraw/zinc/06/37/51/571063751.db2.gz BAPFYFDTKSEOOR-OQLLNIDSSA-N -1 0 373.455 3.524 50 0 FHAARM O=C([O-])C[C@@H](Cc1ccc(Br)cc1)C(=O)NC1CCCCC1 ZINC000004755544 571072384 /nfs/dbraw/zinc/07/23/84/571072384.db2.gz HBBWWFKSNWMTTN-CYBMUJFWSA-N -1 0 368.271 3.531 50 0 FHAARM Cc1ccc(F)c(NS(=O)(=O)c2ccc3ccccc3c2)c1C(=O)[O-] ZINC000084147724 571076072 /nfs/dbraw/zinc/07/60/72/571076072.db2.gz DUQZKFHEZPZAOM-UHFFFAOYSA-N -1 0 359.378 3.786 50 0 FHAARM O=S(=O)([N-]c1nc2ccccc2nc1Cl)c1ccc(Cl)s1 ZINC000009016129 571091469 /nfs/dbraw/zinc/09/14/69/571091469.db2.gz OONJMJQLTFEWTB-UHFFFAOYSA-N -1 0 360.247 3.799 50 0 FHAARM Cc1onc(-c2ccc(Br)c(Br)c2)c1C(=O)[O-] ZINC000235958686 571106266 /nfs/dbraw/zinc/10/62/66/571106266.db2.gz RYMDEOQWQSLYFV-UHFFFAOYSA-N -1 0 360.989 3.873 50 0 FHAARM O=C([N-]O[C@H]1CCCCO1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000060333191 571109055 /nfs/dbraw/zinc/10/90/55/571109055.db2.gz GXJQFNOGFMGOAA-PMACEKPBSA-N -1 0 365.433 3.568 50 0 FHAARM O=C([O-])[C@H](C(=O)NCc1ccc(-c2ccc(F)cc2)o1)C1CCCCC1 ZINC000244764124 571116147 /nfs/dbraw/zinc/11/61/47/571116147.db2.gz PBTBHIPTBOULQM-SFHVURJKSA-N -1 0 359.397 3.983 50 0 FHAARM COc1ccccc1CN(Cc1ccc(C(=O)[O-])cc1)Cc1cccnc1 ZINC000055253731 571118457 /nfs/dbraw/zinc/11/84/57/571118457.db2.gz CCDMVLRURQJSFZ-UHFFFAOYSA-N -1 0 362.429 3.991 50 0 FHAARM O=S1(=O)[N-]C(SCc2ccccc2F)=Nc2ccc(Cl)cc21 ZINC000009762027 571118987 /nfs/dbraw/zinc/11/89/87/571118987.db2.gz ZVBYYXSJVAOVTK-UHFFFAOYSA-N -1 0 356.831 3.883 50 0 FHAARM Cc1cc([C@@H](C(=O)[O-])N(Cc2ccco2)Cc2ccccn2)ccc1F ZINC000055393674 571120399 /nfs/dbraw/zinc/12/03/99/571120399.db2.gz UEAVNNDLPLGCPX-IBGZPJMESA-N -1 0 354.381 3.950 50 0 FHAARM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000263154514 571125176 /nfs/dbraw/zinc/12/51/76/571125176.db2.gz MSQYJRDBFZFVLN-ZACQAIPSSA-N -1 0 361.800 3.915 50 0 FHAARM CC(C)(CC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000058223633 571129637 /nfs/dbraw/zinc/12/96/37/571129637.db2.gz LPKCWAYARLLYEF-ZDUSSCGKSA-N -1 0 369.845 3.727 50 0 FHAARM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1C ZINC000058370568 571131699 /nfs/dbraw/zinc/13/16/99/571131699.db2.gz NYYFCCIFTGRMCB-UHFFFAOYSA-N -1 0 371.867 3.869 50 0 FHAARM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(F)c2)cc(Cl)c1Cl ZINC000058488275 571133316 /nfs/dbraw/zinc/13/33/16/571133316.db2.gz QKFOUPAUKSYXTD-UHFFFAOYSA-N -1 0 364.181 3.632 50 0 FHAARM O=C(c1cc(=O)c2cccc(F)c2[n-]1)N(CC1CCC1)C[C@@H]1CCCO1 ZINC000253537044 571137850 /nfs/dbraw/zinc/13/78/50/571137850.db2.gz VENAONJUTGHRHD-AWEZNQCLSA-N -1 0 358.413 3.501 50 0 FHAARM O=C([O-])c1ccc(-c2c(-c3ccccc3)ncn2Cc2ccncn2)cc1 ZINC000065406676 571142998 /nfs/dbraw/zinc/14/29/98/571142998.db2.gz CZOVVRUZEAWAKB-UHFFFAOYSA-N -1 0 356.385 3.754 50 0 FHAARM O=S(=O)([N-]c1ccc(Cl)cn1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000020930134 571144227 /nfs/dbraw/zinc/14/42/27/571144227.db2.gz LJLHAYJXGKNUIP-UHFFFAOYSA-N -1 0 361.854 3.896 50 0 FHAARM O=c1c2cc(F)c(F)cc2[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000067172786 571146307 /nfs/dbraw/zinc/14/63/07/571146307.db2.gz UJUPMCRUSQBEMP-UHFFFAOYSA-N -1 0 355.749 3.705 50 0 FHAARM CSc1ccc(/C=C\c2nc3ccccc3c(=O)n2CCC(=O)[O-])cc1 ZINC000096765377 571146625 /nfs/dbraw/zinc/14/66/25/571146625.db2.gz IMDXQEPZWCIGSV-FLIBITNWSA-N -1 0 366.442 3.764 50 0 FHAARM Cc1nn(-c2ccc3[nH]c4c(c3c2)CCCC4=O)c(C)c1CCC(=O)[O-] ZINC000067673393 571148218 /nfs/dbraw/zinc/14/82/18/571148218.db2.gz VVCSDVWKAOQPLT-UHFFFAOYSA-N -1 0 351.406 3.507 50 0 FHAARM Cc1ccc(C(=O)[O-])c(N2CCC[C@](CO)(CCCc3ccccc3)C2)n1 ZINC000067934294 571151899 /nfs/dbraw/zinc/15/18/99/571151899.db2.gz ZGQHTMPFILZHDG-JOCHJYFZSA-N -1 0 368.477 3.690 50 0 FHAARM COc1ccccc1-c1cc([N-]S(=O)(=O)c2cccc(Cl)c2)n[nH]1 ZINC000075094443 571154400 /nfs/dbraw/zinc/15/44/00/571154400.db2.gz FAIIHBZARZYQNJ-UHFFFAOYSA-N -1 0 363.826 3.540 50 0 FHAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000006007842 571170572 /nfs/dbraw/zinc/17/05/72/571170572.db2.gz VUCCKKKAZRXXHM-UHFFFAOYSA-N -1 0 360.218 3.581 50 0 FHAARM O=S(=O)([N-]c1ccccc1-c1cn2c(n1)CCCC2)c1cccc(F)c1 ZINC000575619103 571171809 /nfs/dbraw/zinc/17/18/09/571171809.db2.gz GMTSIMMWOPSALA-UHFFFAOYSA-N -1 0 371.437 3.826 50 0 FHAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)COc2ccccc2C(C)C)cc1 ZINC000003627380 571186271 /nfs/dbraw/zinc/18/62/71/571186271.db2.gz AHKSJSMVGFIXPN-GOSISDBHSA-N -1 0 371.433 3.530 50 0 FHAARM O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000003893740 571188555 /nfs/dbraw/zinc/18/85/55/571188555.db2.gz QWFOTGYKIXAPED-KRWDZBQOSA-N -1 0 356.809 3.883 50 0 FHAARM C/C=C/CC(=O)N1CCC(Oc2ccc3ccccc3c2)(C(=O)[O-])CC1 ZINC000072421121 571193216 /nfs/dbraw/zinc/19/32/16/571193216.db2.gz OHCYTLUSOGDVJY-NSCUHMNNSA-N -1 0 353.418 3.631 50 0 FHAARM Cc1ccccc1OC1(C(=O)[O-])CCN(Cc2coc(C(C)C)n2)CC1 ZINC000072430520 571195524 /nfs/dbraw/zinc/19/55/24/571195524.db2.gz PFFIRDIRSIUABM-UHFFFAOYSA-N -1 0 358.438 3.605 50 0 FHAARM Cc1c2ccc(OCc3ccc(F)cc3F)cc2oc(=O)c1CC(=O)[O-] ZINC000004045082 571204108 /nfs/dbraw/zinc/20/41/08/571204108.db2.gz FWRWFEALQRHRLX-UHFFFAOYSA-N -1 0 360.312 3.586 50 0 biogenic FHAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(Cl)c2C)c1C ZINC000006509186 571206185 /nfs/dbraw/zinc/20/61/85/571206185.db2.gz CQYVFJIRVFCASP-UHFFFAOYSA-N -1 0 353.827 3.764 50 0 FHAARM CCCCN(C)c1ccc(NC(=O)COc2cccc(C)c2)c(C(=O)[O-])c1 ZINC000064589189 571211605 /nfs/dbraw/zinc/21/16/05/571211605.db2.gz QHUZPIOQVBQBID-UHFFFAOYSA-N -1 0 370.449 3.947 50 0 FHAARM CCCc1nc(C)c(CNc2nccc(-c3cc(C(=O)[O-])ccn3)n2)s1 ZINC000077521217 571214536 /nfs/dbraw/zinc/21/45/36/571214536.db2.gz MNYASLXGWRGQKD-UHFFFAOYSA-N -1 0 369.450 3.566 50 0 FHAARM CC(C)N1C(=O)S/C(=C/c2cccn2-c2cccc(C(=O)[O-])c2)C1=O ZINC000033291746 571230467 /nfs/dbraw/zinc/23/04/67/571230467.db2.gz PQJNYCXCRYXYLG-XNTDXEJSSA-N -1 0 356.403 3.620 50 0 FHAARM O=S(=O)([N-]C[C@H](c1ccco1)c1cccs1)c1c(F)cccc1F ZINC000585146824 571234120 /nfs/dbraw/zinc/23/41/20/571234120.db2.gz VNGGPGRNLCIERJ-LLVKDONJSA-N -1 0 369.414 3.730 50 0 FHAARM C[C@@H](Oc1cccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)c1)C(=O)[O-] ZINC000091695335 571242522 /nfs/dbraw/zinc/24/25/22/571242522.db2.gz QQWSOLGFMIHLMA-SNVBAGLBSA-N -1 0 354.328 3.685 50 0 FHAARM Cc1nnc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)s2)o1 ZINC000064919925 571246410 /nfs/dbraw/zinc/24/64/10/571246410.db2.gz OUSRSQMUOWPOPR-UHFFFAOYSA-N -1 0 369.855 3.869 50 0 FHAARM Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000064947038 571247328 /nfs/dbraw/zinc/24/73/28/571247328.db2.gz AAZPDMHGHUYMFU-UHFFFAOYSA-N -1 0 355.463 3.907 50 0 FHAARM Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)[N-]c1ccccc1C ZINC000064947286 571247338 /nfs/dbraw/zinc/24/73/38/571247338.db2.gz BQGVYLDVMCHWSW-UHFFFAOYSA-N -1 0 359.426 3.737 50 0 FHAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3F)s2)c1C ZINC000065031247 571250874 /nfs/dbraw/zinc/25/08/74/571250874.db2.gz RUGFPHMJXCZQAG-UHFFFAOYSA-N -1 0 352.412 3.960 50 0 FHAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3onc(C)c3C)s2)cc1 ZINC000065031209 571250887 /nfs/dbraw/zinc/25/08/87/571250887.db2.gz DHUBRONRFHOSEU-UHFFFAOYSA-N -1 0 364.448 3.829 50 0 FHAARM Cn1nccc1-c1csc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000065112334 571254424 /nfs/dbraw/zinc/25/44/24/571254424.db2.gz ZDSCTSAFQXMQDF-UHFFFAOYSA-N -1 0 353.856 3.603 50 0 FHAARM CCCn1c2ccsc2c([O-])c(C(=O)Nc2ccc(F)cc2F)c1=O ZINC000065215490 571256757 /nfs/dbraw/zinc/25/67/57/571256757.db2.gz RVWBSNQVYKQBEU-UHFFFAOYSA-N -1 0 364.373 3.709 50 0 FHAARM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)o2)c1 ZINC000065246397 571257567 /nfs/dbraw/zinc/25/75/67/571257567.db2.gz OJZNTOOLJIVCRB-UHFFFAOYSA-N -1 0 359.407 3.706 50 0 FHAARM CC(C)n1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c2cccnc21 ZINC000065242211 571257602 /nfs/dbraw/zinc/25/76/02/571257602.db2.gz HOVFNVFVADIZOJ-UHFFFAOYSA-N -1 0 351.378 3.696 50 0 FHAARM CCOc1ccc2nc([N-]S(=O)(=O)c3cccc(F)c3)sc2c1 ZINC000007054993 571259570 /nfs/dbraw/zinc/25/95/70/571259570.db2.gz LKCHIWBYAIVBRO-UHFFFAOYSA-N -1 0 352.412 3.635 50 0 FHAARM CC(C)[C@@H](NC(=O)c1ccc2ccn(Cc3ccccc3)c2c1)C(=O)[O-] ZINC000170625754 571269342 /nfs/dbraw/zinc/26/93/42/571269342.db2.gz DBLUQJQZRAZICL-LJQANCHMSA-N -1 0 350.418 3.529 50 0 FHAARM O=C([O-])c1ccc([C@H]2CC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 ZINC000071283370 571269878 /nfs/dbraw/zinc/26/98/78/571269878.db2.gz ZEIVBKVCZMTDOM-OAHLLOKOSA-N -1 0 369.421 3.894 50 0 FHAARM Cc1ccc(SCC(=O)Nn2c(=S)[n-]nc2-c2ccco2)c(C)c1 ZINC000014166603 571271597 /nfs/dbraw/zinc/27/15/97/571271597.db2.gz PQWYGQJLWALOSJ-UHFFFAOYSA-N -1 0 360.464 3.680 50 0 FHAARM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000014097288 571271686 /nfs/dbraw/zinc/27/16/86/571271686.db2.gz HZRGKIMRJWTHBI-UHFFFAOYSA-N -1 0 360.218 3.801 50 0 FHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000001051164 571275486 /nfs/dbraw/zinc/27/54/86/571275486.db2.gz RFUWITGZEZVOAU-UHFFFAOYSA-N -1 0 356.241 3.567 50 0 FHAARM C[C@@H](CCC(=O)[O-])NC(=O)c1ccccc1OCc1ccccc1Cl ZINC000237527825 571277234 /nfs/dbraw/zinc/27/72/34/571277234.db2.gz HVWXMMXXSYYAKR-ZDUSSCGKSA-N -1 0 361.825 3.902 50 0 FHAARM O=C([O-])C[C@@H](NC(=O)c1cnc(-c2ccsc2)s1)c1ccccc1 ZINC000238183398 571277335 /nfs/dbraw/zinc/27/73/35/571277335.db2.gz BSEPDYCIMDIJGL-CYBMUJFWSA-N -1 0 358.444 3.817 50 0 FHAARM C[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)C(=O)[O-] ZINC000002197168 571283707 /nfs/dbraw/zinc/28/37/07/571283707.db2.gz DCXGFVOUQZLNMA-SNVBAGLBSA-N -1 0 372.471 3.501 50 0 FHAARM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1ccc(F)c(COCC2CC2)c1 ZINC000170672078 571284985 /nfs/dbraw/zinc/28/49/85/571284985.db2.gz PMYIJNDYAAONHY-AEFFLSMTSA-N -1 0 363.429 3.516 50 0 FHAARM O=C(c1ccccc1)c1ccc2c(c1[O-])[C@@H](c1cccc(O)c1)CC(=O)O2 ZINC000253413448 571312370 /nfs/dbraw/zinc/31/23/70/571312370.db2.gz UUQBDRSYYVRGPX-QGZVFWFLSA-N -1 0 360.365 3.770 50 0 FHAARM COc1cccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccccc3)C2)c1 ZINC000253433657 571316853 /nfs/dbraw/zinc/31/68/53/571316853.db2.gz ZUFCWYLRHYTKSF-IBGZPJMESA-N -1 0 366.417 3.628 50 0 FHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)C1 ZINC000328593064 571323593 /nfs/dbraw/zinc/32/35/93/571323593.db2.gz RBKLSZQUWWQIAD-QEJZJMRPSA-N -1 0 369.383 3.912 50 0 FHAARM CCc1nc(-c2csc(S(=O)(=O)[N-]c3ccccc3CC)c2)no1 ZINC000021702033 571335627 /nfs/dbraw/zinc/33/56/27/571335627.db2.gz LJLCXOKLXKZNPS-UHFFFAOYSA-N -1 0 363.464 3.724 50 0 FHAARM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000055600359 571338058 /nfs/dbraw/zinc/33/80/58/571338058.db2.gz MYQWHRLPYTXISB-UHFFFAOYSA-N -1 0 372.805 3.848 50 0 FHAARM C[C@@H](NC(=O)CCCn1c(=O)c2sccc2[n-]c1=S)c1ccccc1 ZINC000002932316 571341864 /nfs/dbraw/zinc/34/18/64/571341864.db2.gz ZBZDRENTVMJRIW-GFCCVEGCSA-N -1 0 373.503 3.778 50 0 FHAARM CC[C@@]1(C)C[C@@](CCNC(=O)CCC(=O)[O-])(c2ccc(C)cc2)CCO1 ZINC000004028938 571354257 /nfs/dbraw/zinc/35/42/57/571354257.db2.gz JBKSUNPCAFGEPO-SFTDATJTSA-N -1 0 361.482 3.583 50 0 biogenic FHAARM O=C([O-])C1CCN(C(=O)/C(=C/c2ccc(F)cc2)c2cccs2)CC1 ZINC000328593057 596936563 /nfs/dbraw/zinc/93/65/63/596936563.db2.gz NPEXDWWJDZSPQQ-FOWTUZBSSA-N -1 0 359.422 3.751 50 0 FHAARM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)C1 ZINC000557177778 597119133 /nfs/dbraw/zinc/11/91/33/597119133.db2.gz USTKVGRKMXGCNY-HNNXBMFYSA-N -1 0 366.417 3.636 50 0 FHAARM CC(C)c1csc([C@@H]2CCCN(C(=O)N=c3ccc(C4CC4)n[n-]3)C2)n1 ZINC000333146714 945308560 /nfs/dbraw/zinc/30/85/60/945308560.db2.gz GHTALUMZTBPWCJ-CQSZACIVSA-N -1 0 371.510 3.767 50 0 FHAARM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2sc3cc(Cl)ccc3c2Cl)C1 ZINC000262443360 946598893 /nfs/dbraw/zinc/59/88/93/946598893.db2.gz GYWSZQCZRJCUGN-PSASIEDQSA-N -1 0 374.245 3.522 50 0 FHAARM C[C@H](C(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C ZINC000257349256 210004664 /nfs/dbraw/zinc/00/46/64/210004664.db2.gz MULSOMSXPSGJAM-CNDNHPBZSA-N -1 0 364.526 3.698 50 0 FHAARM Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3F)C2)cc1 ZINC000000710130 219315053 /nfs/dbraw/zinc/31/50/53/219315053.db2.gz NZZFIPVRNJBOGW-GOSISDBHSA-N -1 0 354.381 3.677 50 0 FHAARM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(Br)s1 ZINC000001146004 219380623 /nfs/dbraw/zinc/38/06/23/219380623.db2.gz QMDNPCFWLIQPMM-UHFFFAOYSA-N -1 0 354.197 3.590 50 0 FHAARM COc1ccc(/C=C(/NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)[O-])cc1 ZINC000001153842 219382857 /nfs/dbraw/zinc/38/28/57/219382857.db2.gz OHUSOOBDNUKRRJ-QGOAFFKASA-N -1 0 353.418 3.848 50 0 FHAARM Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1C ZINC000001160267 219384295 /nfs/dbraw/zinc/38/42/95/219384295.db2.gz POWARLXBFYOWHY-UHFFFAOYSA-N -1 0 362.838 3.782 50 0 FHAARM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC(OCC2CCCC2)CC1 ZINC000170656007 209550794 /nfs/dbraw/zinc/55/07/94/209550794.db2.gz APMVRIYWTGZQIN-UHFFFAOYSA-N -1 0 360.479 3.928 50 0 FHAARM C[C@@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)C[C@@H](c2ccsc2)O1 ZINC000156331511 209480335 /nfs/dbraw/zinc/48/03/35/209480335.db2.gz IFTJBFAXXJARMT-BMIGLBTASA-N -1 0 360.460 3.780 50 0 FHAARM CSCC[C@@H](Nc1nc(-c2ccccc2)nc2ccccc21)C(=O)[O-] ZINC000001745088 209392211 /nfs/dbraw/zinc/39/22/11/209392211.db2.gz ZXIXLVOWWPTBCT-MRXNPFEDSA-N -1 0 353.447 3.915 50 0 FHAARM Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)c(=O)[n-]1 ZINC000001282189 209387872 /nfs/dbraw/zinc/38/78/72/209387872.db2.gz GCDXLBZKVAQORL-UHFFFAOYSA-N -1 0 366.446 3.592 50 0 FHAARM CN(Cc1ccccc1)c1ncc(F)c(Nc2ccc(C(=O)[O-])cc2)n1 ZINC000170621801 209376197 /nfs/dbraw/zinc/37/61/97/209376197.db2.gz XUCQXESJDCBBBU-UHFFFAOYSA-N -1 0 352.369 3.694 50 0 FHAARM CC(C)Oc1ccc(-c2nc(C(=O)N3CCCC[C@H]3C(=O)[O-])cs2)cc1 ZINC000136493768 209374862 /nfs/dbraw/zinc/37/48/62/209374862.db2.gz HTIKYBYNGJRKLD-INIZCTEOSA-N -1 0 374.462 3.677 50 0 FHAARM O=C([O-])c1ccc(C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000238103803 209360878 /nfs/dbraw/zinc/36/08/78/209360878.db2.gz HUAVDTFUBORDGG-SFHVURJKSA-N -1 0 373.836 3.624 50 0 FHAARM O=C([O-])[C@H]1CCCN1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000238102010 209360066 /nfs/dbraw/zinc/36/00/66/209360066.db2.gz CEHHCQHWBOCYGC-CYBMUJFWSA-N -1 0 356.369 3.878 50 0 FHAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000237925574 209356232 /nfs/dbraw/zinc/35/62/32/209356232.db2.gz OAYCIVJPKCVNPF-AWEZNQCLSA-N -1 0 374.412 3.659 50 0 FHAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCc1cc(Br)cs1 ZINC000237923876 209355366 /nfs/dbraw/zinc/35/53/66/209355366.db2.gz RKSXJUDPPUOIEX-LBPRGKRZSA-N -1 0 374.300 3.689 50 0 FHAARM Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cs1 ZINC000237701560 209352057 /nfs/dbraw/zinc/35/20/57/209352057.db2.gz DYKARHGGIYGEIL-AWEZNQCLSA-N -1 0 358.463 3.836 50 0 FHAARM Cc1nc(C2CCCC2)sc1C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000237616145 209351728 /nfs/dbraw/zinc/35/17/28/209351728.db2.gz SXTOKRSIUCLDEY-MRXNPFEDSA-N -1 0 372.490 3.782 50 0 FHAARM COc1c(Cl)cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1Cl ZINC000237152321 209336485 /nfs/dbraw/zinc/33/64/85/209336485.db2.gz WHLWYTJSZWRWMM-SNVBAGLBSA-N -1 0 360.237 3.719 50 0 FHAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1Cl ZINC000047318178 209328028 /nfs/dbraw/zinc/32/80/28/209328028.db2.gz KEWNTZZFULXJSG-UHFFFAOYSA-N -1 0 361.806 3.992 50 0 FHAARM CCc1cccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(CC)c3=O)c1 ZINC000102335489 209234574 /nfs/dbraw/zinc/23/45/74/209234574.db2.gz VRAMYWXQKFCJFM-UHFFFAOYSA-N -1 0 353.447 3.520 50 0 FHAARM Cc1ccc(NC(=S)C2=C([O-])c3sccc3N(C)S2(=O)=O)cc1 ZINC000100819699 209218537 /nfs/dbraw/zinc/21/85/37/209218537.db2.gz CPBWOESEAOCFJW-UHFFFAOYSA-N -1 0 366.489 3.502 50 0 FHAARM Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000100711388 209216458 /nfs/dbraw/zinc/21/64/58/209216458.db2.gz NWAYJQLHBBIFSC-SLFFLAALSA-N -1 0 374.396 3.639 50 0 FHAARM CCCCCn1c(=O)c(C(=O)Nc2ncc(C)s2)c([O-])c2ccccc21 ZINC000100457437 209213649 /nfs/dbraw/zinc/21/36/49/209213649.db2.gz ZFNJOYZUFSWKOM-UHFFFAOYSA-N -1 0 371.462 3.915 50 0 FHAARM Cc1ccc([S@@](C)(=O)=NC(=O)[N-]C(=O)c2c(F)cccc2Cl)cc1 ZINC000100218554 209210360 /nfs/dbraw/zinc/21/03/60/209210360.db2.gz ORUAIYLQGZFKLH-XMMPIXPASA-N -1 0 368.817 3.794 50 0 FHAARM CCOc1ccc(Cn2c(=O)c3ccccc3[n-]c2=S)cc1OCC ZINC000100090484 209208860 /nfs/dbraw/zinc/20/88/60/209208860.db2.gz QVEMQXSQCSCYHW-UHFFFAOYSA-N -1 0 356.447 3.531 50 0 FHAARM Cc1cc(CN(C)Cc2cc(-c3cccs3)ccc2OCC(=O)[O-])no1 ZINC000097553223 209186191 /nfs/dbraw/zinc/18/61/91/209186191.db2.gz QAWDDZRZZBXQGR-UHFFFAOYSA-N -1 0 372.446 3.807 50 0 FHAARM Cc1cccc(-c2noc(COc3ccc(CC(=O)[O-])c(Cl)c3)n2)c1 ZINC000097166025 209174776 /nfs/dbraw/zinc/17/47/76/209174776.db2.gz BAXMDYPNSDIGSA-UHFFFAOYSA-N -1 0 358.781 3.905 50 0 FHAARM CCOc1ccccc1-c1noc(COc2ccc(CCC(=O)[O-])cc2)n1 ZINC000097166005 209174577 /nfs/dbraw/zinc/17/45/77/209174577.db2.gz UNJQFGOHDQOKQE-UHFFFAOYSA-N -1 0 368.389 3.732 50 0 FHAARM O=C([O-])C1CCN(C(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000097017386 209167023 /nfs/dbraw/zinc/16/70/23/209167023.db2.gz NUOOXESXSVPSEK-GJZGRUSLSA-N -1 0 370.474 3.669 50 0 FHAARM CCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2OC)c([O-])c2ccccc21 ZINC000100490663 209214251 /nfs/dbraw/zinc/21/42/51/209214251.db2.gz XPVXRCIJXGPUNF-UHFFFAOYSA-N -1 0 372.808 3.641 50 0 FHAARM O=C([O-])c1ccccc1C(=O)Nc1cccc(-c2cn3ccccc3n2)c1 ZINC000001030873 206856766 /nfs/dbraw/zinc/85/67/66/206856766.db2.gz YSMVBYOGPSVRNF-UHFFFAOYSA-N -1 0 357.369 3.952 50 0 FHAARM O=C([O-])CCCC(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000002503239 206919173 /nfs/dbraw/zinc/91/91/73/206919173.db2.gz QRKGVSSMTXOUPF-UHFFFAOYSA-N -1 0 369.240 3.766 50 0 FHAARM CCc1cc2c(cc1O[C@@H](C)C(=O)[O-])occ(-c1nc(C)cs1)c2=O ZINC000003893454 206992212 /nfs/dbraw/zinc/99/22/12/206992212.db2.gz JVILWAGZYKXLNC-JTQLQIEISA-N -1 0 359.403 3.639 50 0 biogenic FHAARM Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000004103691 207001476 /nfs/dbraw/zinc/00/14/76/207001476.db2.gz GGRIZMPYVRYGHZ-LJQANCHMSA-N -1 0 350.418 3.846 50 0 FHAARM COc1cc(C=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000004363706 207016113 /nfs/dbraw/zinc/01/61/13/207016113.db2.gz RIPLRJURJWYSDY-UHFFFAOYSA-N -1 0 365.179 3.547 50 0 FHAARM COc1ccc(Nc2c3c(C)nn(C)c3nc3ccccc32)cc1C(=O)[O-] ZINC000004517639 207023428 /nfs/dbraw/zinc/02/34/28/207023428.db2.gz UBSKYARYICIWOI-UHFFFAOYSA-N -1 0 362.389 3.880 50 0 FHAARM O=C([O-])c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000004614475 207032731 /nfs/dbraw/zinc/03/27/31/207032731.db2.gz DTLRCAQTONHFBD-CAHLUQPWSA-N -1 0 351.737 3.957 50 0 FHAARM CCOc1cc(S(=O)(=O)[N-]c2ccccc2OCC)ccc1Cl ZINC000004744744 207045183 /nfs/dbraw/zinc/04/51/83/207045183.db2.gz DBNQTGJVNAGZLK-UHFFFAOYSA-N -1 0 355.843 3.938 50 0 FHAARM O=C([O-])C[C@@H](c1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O ZINC000004753305 207047041 /nfs/dbraw/zinc/04/70/41/207047041.db2.gz CSUCGBRJPHTGGP-AWEZNQCLSA-N -1 0 364.184 3.805 50 0 FHAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004742727 207044364 /nfs/dbraw/zinc/04/43/64/207044364.db2.gz VSDATSOFKDOJSP-UHFFFAOYSA-N -1 0 359.234 3.617 50 0 FHAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000004821245 207050641 /nfs/dbraw/zinc/05/06/41/207050641.db2.gz DANQTRBHKJMWOL-QZTJIDSGSA-N -1 0 372.465 3.579 50 0 FHAARM O=C([O-])[C@@H](Cc1ccccc1)Nc1ncnc2sc3c(c21)CCCC3 ZINC000004872230 207057660 /nfs/dbraw/zinc/05/76/60/207057660.db2.gz IJEMRPVLHOGIGC-CQSZACIVSA-N -1 0 353.447 3.678 50 0 FHAARM Cc1cc2oc(=O)sc2cc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000004914193 207061739 /nfs/dbraw/zinc/06/17/39/207061739.db2.gz NPNNMCNSBKIIIV-UHFFFAOYSA-N -1 0 372.427 3.512 50 0 FHAARM CCc1ccc(C[C@H](C(=O)Nc2cccc3ccccc32)c2nnn[n-]2)cc1 ZINC000005444908 207100127 /nfs/dbraw/zinc/10/01/27/207100127.db2.gz FCBFYDGFHPRCLA-IBGZPJMESA-N -1 0 371.444 3.880 50 0 FHAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000005602573 207108382 /nfs/dbraw/zinc/10/83/82/207108382.db2.gz GFOXIZYHSALBMS-UHFFFAOYSA-N -1 0 367.780 3.510 50 0 FHAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1Cl ZINC000006315268 207137962 /nfs/dbraw/zinc/13/79/62/207137962.db2.gz VIEMSZYIMVVVCA-UHFFFAOYSA-N -1 0 355.843 3.775 50 0 FHAARM CC(C)(C)OC(=O)N1CCC[C@@](Cc2ccc(Cl)cc2)(C(=O)[O-])C1 ZINC000006363848 207138273 /nfs/dbraw/zinc/13/82/73/207138273.db2.gz NFBWLXLJPIEKQE-SFHVURJKSA-N -1 0 353.846 3.984 50 0 FHAARM CC1CCN(C(=O)Nc2sc3c(c2C(=O)[O-])CC(C)(C)OC3)CC1 ZINC000006759720 207161397 /nfs/dbraw/zinc/16/13/97/207161397.db2.gz BZDPWWSLVGOAKS-UHFFFAOYSA-N -1 0 352.456 3.561 50 0 FHAARM CC(=O)Nc1cc(C(=O)COC(=O)c2ccc3ccccc3c2)ccc1[O-] ZINC000008537990 207236189 /nfs/dbraw/zinc/23/61/89/207236189.db2.gz CWAVKOOSMPNPSO-UHFFFAOYSA-N -1 0 363.369 3.544 50 0 FHAARM O=C([O-])C1(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)CCCCC1 ZINC000008745645 207245973 /nfs/dbraw/zinc/24/59/73/207245973.db2.gz GVMWKHBBMIKDLA-UHFFFAOYSA-N -1 0 372.465 3.676 50 0 FHAARM Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000009576980 207277044 /nfs/dbraw/zinc/27/70/44/207277044.db2.gz JOFHVKWAPGLGFB-KRWDZBQOSA-N -1 0 361.401 3.661 50 0 FHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1nc2ccc(F)cc2s1 ZINC000011615526 207314866 /nfs/dbraw/zinc/31/48/66/207314866.db2.gz BHMKLPNTZHUQTJ-UHFFFAOYSA-N -1 0 352.412 3.553 50 0 FHAARM CCOc1ccc(NC(=O)c2ccccc2NC(=O)CCCC(=O)[O-])cc1 ZINC000012137038 207340976 /nfs/dbraw/zinc/34/09/76/207340976.db2.gz SHCIBXBJBCDDGX-UHFFFAOYSA-N -1 0 370.405 3.531 50 0 FHAARM Cc1nc(-c2ccccc2F)sc1C(=O)NCCCCCC(=O)[O-] ZINC000012408331 207372331 /nfs/dbraw/zinc/37/23/31/207372331.db2.gz BLRMKHJPJGWRNV-UHFFFAOYSA-N -1 0 350.415 3.632 50 0 FHAARM CCCNC(=O)c1ccccc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000012521091 207384379 /nfs/dbraw/zinc/38/43/79/207384379.db2.gz PUBKTOSXYCZMDO-UHFFFAOYSA-N -1 0 370.474 3.555 50 0 FHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1c(-c2ccccc2)nc2sccn21 ZINC000012535817 207387227 /nfs/dbraw/zinc/38/72/27/207387227.db2.gz XJCXSBZUZOIPNQ-UONOGXRCSA-N -1 0 367.430 3.668 50 0 FHAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1cccc(Cl)c1)O[C@H](C)C2 ZINC000012560506 207393631 /nfs/dbraw/zinc/39/36/31/207393631.db2.gz AMDNIZPUHLDGSJ-LLVKDONJSA-N -1 0 367.854 3.863 50 0 FHAARM CC1=C(C)C[C@@H](C(=O)Nc2sccc2C(=O)OC(C)C)[C@H](C(=O)[O-])C1 ZINC000017075087 207608777 /nfs/dbraw/zinc/60/87/77/207608777.db2.gz PRYRDYOUSIGFQQ-ZIAGYGMSSA-N -1 0 365.451 3.699 50 0 FHAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1sccc1C(=O)Nc1ccccc1 ZINC000017076273 207610431 /nfs/dbraw/zinc/61/04/31/207610431.db2.gz UPBUAEIRCAASLN-KGLIPLIRSA-N -1 0 372.446 3.830 50 0 FHAARM O=C([O-])CCn1c(/C=C/c2ccc(Cl)s2)nc2ccccc2c1=O ZINC000029736920 207996655 /nfs/dbraw/zinc/99/66/55/207996655.db2.gz AYMONPJAYRGKDZ-SOFGYWHQSA-N -1 0 360.822 3.757 50 0 FHAARM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000031864525 208019244 /nfs/dbraw/zinc/01/92/44/208019244.db2.gz OZEVTWRCMPYQKG-UHFFFAOYSA-N -1 0 364.854 3.709 50 0 FHAARM CC(C)n1ncc2cc([N-]S(=O)(=O)c3ccc(F)cc3Cl)cnc21 ZINC000032097910 208024885 /nfs/dbraw/zinc/02/48/85/208024885.db2.gz HCAGNWPPPWJAOV-UHFFFAOYSA-N -1 0 368.821 3.606 50 0 FHAARM Cc1c(C)n(-c2cccc(Cl)c2)c2nc(C(=O)[O-])nc(N3CCCC3)c12 ZINC000035196791 208119972 /nfs/dbraw/zinc/11/99/72/208119972.db2.gz OYPWSQLEBXLCMS-UHFFFAOYSA-N -1 0 370.840 3.989 50 0 FHAARM O=C([O-])c1cccc(CNC(=O)Cc2csc(-c3ccccc3F)n2)c1 ZINC000036357044 208157637 /nfs/dbraw/zinc/15/76/37/208157637.db2.gz OQWJBFJBWJBEFO-UHFFFAOYSA-N -1 0 370.405 3.506 50 0 FHAARM O=C(Cc1ccc(F)cc1)OCc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000040005230 208217538 /nfs/dbraw/zinc/21/75/38/208217538.db2.gz JGQPOXGHRMPGLS-UHFFFAOYSA-N -1 0 362.740 3.577 50 0 FHAARM O=C([O-])[C@H](NC(=O)CCn1ccc2ccc(Cl)cc21)c1ccccc1 ZINC000040288147 208246856 /nfs/dbraw/zinc/24/68/56/208246856.db2.gz XLXTYALZUAXZCB-GOSISDBHSA-N -1 0 356.809 3.627 50 0 FHAARM O=C([O-])c1cccc(Nc2nc3ccccc3c(NC[C@@H]3CCCO3)n2)c1 ZINC000041151489 208283258 /nfs/dbraw/zinc/28/32/58/208283258.db2.gz OWPXOIWVXXWGRI-HNNXBMFYSA-N -1 0 364.405 3.663 50 0 FHAARM O=C([O-])c1cc(/C=C/c2ccc(-n3cncn3)c(F)c2)nc2ccccc21 ZINC000041873545 208285847 /nfs/dbraw/zinc/28/58/47/208285847.db2.gz WGRJFYNUTDMEMX-FNORWQNLSA-N -1 0 360.348 3.823 50 0 FHAARM CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000047933507 208384072 /nfs/dbraw/zinc/38/40/72/208384072.db2.gz WFOAQWUVRJLGCA-UHFFFAOYSA-N -1 0 361.373 3.548 50 0 FHAARM O=C(N[C@@H]1CCSc2ccccc21)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000047109206 208373470 /nfs/dbraw/zinc/37/34/70/208373470.db2.gz GUPFIRYZSLXFJC-CYBMUJFWSA-N -1 0 369.471 3.965 50 0 FHAARM Cn1c2ccsc2c([O-])c(C(=O)Nc2cccc(C(F)(F)F)c2)c1=O ZINC000049409443 208417807 /nfs/dbraw/zinc/41/78/07/208417807.db2.gz AIGRBILDRSHLPT-UHFFFAOYSA-N -1 0 368.336 3.577 50 0 FHAARM O=C([O-])c1cn(-c2ccccc2F)c2c1NC(=O)C[C@H]2c1ccsc1 ZINC000061719241 208598151 /nfs/dbraw/zinc/59/81/51/208598151.db2.gz IDOORROSOPMUBD-NSHDSACASA-N -1 0 356.378 3.850 50 0 FHAARM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3F)cc21 ZINC000062580678 208604440 /nfs/dbraw/zinc/60/44/40/208604440.db2.gz AKWMYWQUEBDYOO-UHFFFAOYSA-N -1 0 353.806 3.650 50 0 FHAARM O=C([O-])c1ccc([C@H]2CC(=O)Nc3c2cnn3Cc2cccs2)cc1 ZINC000072402777 208847261 /nfs/dbraw/zinc/84/72/61/208847261.db2.gz CEEUDBKZJOPABY-CQSZACIVSA-N -1 0 353.403 3.815 50 0 FHAARM CC(C)c1ccc2cc(C(=O)N3Cc4ccccc4C[C@@H]3C(=O)[O-])[nH]c2c1 ZINC000095969903 209091067 /nfs/dbraw/zinc/09/10/67/209091067.db2.gz DXYIUEOHUZDARB-HXUWFJFHSA-N -1 0 362.429 3.943 50 0 FHAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)c3cnc4c(c3)CCCC4)C2)cc1 ZINC000095353116 209022823 /nfs/dbraw/zinc/02/28/23/209022823.db2.gz PWWWSCKZWRESDH-SFHVURJKSA-N -1 0 364.445 3.678 50 0 FHAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3cccc4cccnc43)C2)c1 ZINC000095376961 209038340 /nfs/dbraw/zinc/03/83/40/209038340.db2.gz XOPGMVNNRHOXAA-SFHVURJKSA-N -1 0 360.413 3.953 50 0 FHAARM Cn1c(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)cc2ccccc21 ZINC000095378884 209038376 /nfs/dbraw/zinc/03/83/76/209038376.db2.gz UWWUGFWJZOVHJS-SFHVURJKSA-N -1 0 362.429 3.896 50 0 FHAARM Cn1c(C(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)cc2ccccc21 ZINC000095378885 209038843 /nfs/dbraw/zinc/03/88/43/209038843.db2.gz UWWUGFWJZOVHJS-GOSISDBHSA-N -1 0 362.429 3.896 50 0 FHAARM O=C([O-])c1cccc(Cc2nc3ccc(-c4ccccc4)cc3c(=O)[nH]2)c1 ZINC000095957758 209090132 /nfs/dbraw/zinc/09/01/32/209090132.db2.gz GKGREBPCRBPCJE-UHFFFAOYSA-N -1 0 356.381 3.879 50 0 FHAARM Cc1nc(CN2CCN([C@H](C(=O)[O-])c3ccc(C(C)C)cc3)CC2)cs1 ZINC000095390834 209046661 /nfs/dbraw/zinc/04/66/61/209046661.db2.gz VLJDZTSCFUMFAW-IBGZPJMESA-N -1 0 373.522 3.518 50 0 FHAARM C[C@@H]1[C@H](C)Sc2ccccc2N1S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000079105854 132192912 /nfs/dbraw/zinc/19/29/12/132192912.db2.gz KSJHSQKNFXNGPZ-ZJUUUORDSA-N -1 0 369.489 3.524 50 0 FHAARM Cc1c(-c2ccccc2)sc2ncnc(N3CCC(C(=O)[O-])CC3)c12 ZINC000242390194 132289437 /nfs/dbraw/zinc/28/94/37/132289437.db2.gz ADWNEGMHAMDVLO-UHFFFAOYSA-N -1 0 353.447 3.968 50 0 FHAARM C[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(N3CCCCC3)ccc2Cl)C1 ZINC000244734408 132290939 /nfs/dbraw/zinc/29/09/39/132290939.db2.gz NFAOERRAXXHKLA-IBGZPJMESA-N -1 0 364.873 3.657 50 0 FHAARM COc1cccc(CC2(C(=O)[O-])CCN(c3nccc4occc43)CC2)c1 ZINC000071415648 136138988 /nfs/dbraw/zinc/13/89/88/136138988.db2.gz FBSCQWQZZGGIGS-UHFFFAOYSA-N -1 0 366.417 3.750 50 0 FHAARM Cc1cnc(C)c(N2CCC(Cc3ccccc3Cl)(C(=O)[O-])CC2)n1 ZINC000071747678 136140060 /nfs/dbraw/zinc/14/00/60/136140060.db2.gz LVVBCICKIVAGDK-UHFFFAOYSA-N -1 0 359.857 3.661 50 0 FHAARM COc1ccc2cc([C@H]3CN(c4ncccc4C(=O)[O-])CCO3)ccc2c1 ZINC000071751332 136140122 /nfs/dbraw/zinc/14/01/22/136140122.db2.gz PYFXHVZNOOAHCI-LJQANCHMSA-N -1 0 364.401 3.520 50 0 FHAARM Cc1ccc2cc(CO)c(N3CCC(CC4CC4)(C(=O)[O-])CC3)nc2c1 ZINC000071752910 136140381 /nfs/dbraw/zinc/14/03/81/136140381.db2.gz AGHIUYCGJLGALV-UHFFFAOYSA-N -1 0 354.450 3.507 50 0 FHAARM COc1cccc(C[C@]2(C(=O)[O-])CCCN(c3ccc(Cl)cn3)C2)c1 ZINC000071759416 136140480 /nfs/dbraw/zinc/14/04/80/136140480.db2.gz XLVPWMQRDIAJGR-LJQANCHMSA-N -1 0 360.841 3.658 50 0 FHAARM CCCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000010287768 263364397 /nfs/dbraw/zinc/36/43/97/263364397.db2.gz ONOZRHXVKGSYJW-CHWSQXEVSA-N -1 0 366.845 3.908 50 0 FHAARM COc1ccc([C@H]2[C@@H](C(=O)[O-])CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000003888152 536946818 /nfs/dbraw/zinc/94/68/18/536946818.db2.gz KZRIPBOEXHKWGY-JXFKEZNVSA-N -1 0 369.417 3.581 50 0 FHAARM CCCCC[C@@H](O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-] ZINC000003870603 560190906 /nfs/dbraw/zinc/19/09/06/560190906.db2.gz DPOINJQWXDTOSF-YWTNHNAXSA-N -1 0 356.503 3.699 50 0 in-vitro FHAARM CCN(C(=O)c1c([O-])c2c(Cl)cccc2n(C)c1=O)c1ccccc1 ZINC000005573462 560202534 /nfs/dbraw/zinc/20/25/34/560202534.db2.gz PVTNCGYZIYKPJX-UHFFFAOYSA-N -1 0 356.809 3.564 50 0 in-vitro FHAARM COc1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c(C(F)(F)F)c1 ZINC000058161037 568307073 /nfs/dbraw/zinc/30/70/73/568307073.db2.gz CWCHJKQJZXLIFS-UHFFFAOYSA-N -1 0 373.352 3.717 50 0 FHAARM CCC[C@]1(C(=O)[O-])CCCN(C(=O)c2cnc(-c3ccccc3)nc2C)C1 ZINC000091829672 570440141 /nfs/dbraw/zinc/44/01/41/570440141.db2.gz NMMVPYUEWVJEOM-NRFANRHFSA-N -1 0 367.449 3.559 50 0 FHAARM CS(=O)(=O)N(Cc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1Cl ZINC000000869698 570462460 /nfs/dbraw/zinc/46/24/60/570462460.db2.gz JFMQPYKQHUYGST-UHFFFAOYSA-N -1 0 374.245 3.658 50 0 FHAARM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000000888009 570462801 /nfs/dbraw/zinc/46/28/01/570462801.db2.gz DYAJQJOKLKIBDB-UHFFFAOYSA-N -1 0 353.399 3.853 50 0 FHAARM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000000987575 570468156 /nfs/dbraw/zinc/46/81/56/570468156.db2.gz WSGRGBUGERORDS-UHFFFAOYSA-N -1 0 373.261 3.777 50 0 FHAARM Cc1c(Cl)cccc1NC(=O)c1ccccc1NC(=O)CCC(=O)[O-] ZINC000000991832 570468952 /nfs/dbraw/zinc/46/89/52/570468952.db2.gz PGZABJXSDQXYRK-UHFFFAOYSA-N -1 0 360.797 3.704 50 0 FHAARM CNS(=O)(=O)c1ccccc1Sc1cccc2cccc(C(=O)[O-])c21 ZINC000001036798 570473662 /nfs/dbraw/zinc/47/36/62/570473662.db2.gz WYYHGNSQZPKKIM-UHFFFAOYSA-N -1 0 373.455 3.597 50 0 FHAARM O=C([O-])[C@H](CC1CC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002569788 570525330 /nfs/dbraw/zinc/52/53/30/570525330.db2.gz DRGUEWQZLABTFG-IBGZPJMESA-N -1 0 351.402 3.778 50 0 FHAARM CC(C)(C)OC(=O)N[C@H](Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)[O-] ZINC000002583337 570525555 /nfs/dbraw/zinc/52/55/55/570525555.db2.gz RUQLVQSODALTBB-QGZVFWFLSA-N -1 0 373.405 3.705 50 0 FHAARM Cc1cc(OCc2ccc(C(=O)[O-])o2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000002991562 570548505 /nfs/dbraw/zinc/54/85/05/570548505.db2.gz PJUIGDIAVQOVPT-UHFFFAOYSA-N -1 0 354.358 3.850 50 0 FHAARM O=C([O-])CC[C@H]1CCCCN1C(=O)CCc1cc(Br)cs1 ZINC000237982226 570585064 /nfs/dbraw/zinc/58/50/64/570585064.db2.gz RKSXJUDPPUOIEX-GFCCVEGCSA-N -1 0 374.300 3.689 50 0 FHAARM O=C(CN1C(=O)c2ccccc2N[C@H]1c1ccccc1)Nc1ccccc1O ZINC000061721003 570632425 /nfs/dbraw/zinc/63/24/25/570632425.db2.gz DUIKETJLVMGYDB-OAQYLSRUSA-N -1 0 373.412 3.597 50 0 FHAARM CC1=C(C)C[C@H](C(=O)Nc2cccc(Br)c2)[C@H](C(=O)[O-])C1 ZINC000002801791 570673869 /nfs/dbraw/zinc/67/38/69/570673869.db2.gz MKGJJHCGSSYNHZ-UONOGXRCSA-N -1 0 352.228 3.835 50 0 FHAARM CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCCC3)c([O-])n2n1 ZINC000022852939 570694859 /nfs/dbraw/zinc/69/48/59/570694859.db2.gz UGINFDZXLKSHLE-CQSZACIVSA-N -1 0 362.886 3.897 50 0 FHAARM C[C@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)C[C@@H](c2ccsc2)O1 ZINC000156331636 570713548 /nfs/dbraw/zinc/71/35/48/570713548.db2.gz IFTJBFAXXJARMT-BONVTDFDSA-N -1 0 360.460 3.780 50 0 FHAARM CC1(C)C=Cc2c(O)ccc(-c3coc4cc([O-])cc(O)c4c3=O)c2O1 ZINC000014711695 570766246 /nfs/dbraw/zinc/76/62/46/570766246.db2.gz RIDRQWKYWXHAOD-UHFFFAOYSA-N -1 0 352.342 3.761 50 0 FHAARM CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000002826629 570768822 /nfs/dbraw/zinc/76/88/22/570768822.db2.gz STAAFEKFKVJRII-GFCCVEGCSA-N -1 0 372.446 3.689 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCC[C@H](C)C2)cc1 ZINC000013674463 570783817 /nfs/dbraw/zinc/78/38/17/570783817.db2.gz PXKGTLGHPZAORU-INIZCTEOSA-N -1 0 372.490 3.668 50 0 FHAARM Cc1nc2[n-]c(Cc3ccc(Cl)cc3)nn2c(=O)c1Cc1ccccc1 ZINC000018221984 570815570 /nfs/dbraw/zinc/81/55/70/570815570.db2.gz JXOHELJOWRCSCR-UHFFFAOYSA-N -1 0 364.836 3.973 50 0 FHAARM Cn1c(=O)c(-c2nc(-c3ccccc3Cl)no2)c([O-])c2cc(F)ccc21 ZINC000101725133 570822555 /nfs/dbraw/zinc/82/25/55/570822555.db2.gz CFYVFUSGBIJZPO-UHFFFAOYSA-N -1 0 371.755 3.754 50 0 FHAARM CSc1ccc(-c2noc(-c3c([O-])c4ccccc4n(C)c3=O)n2)cc1 ZINC000101725724 570822816 /nfs/dbraw/zinc/82/28/16/570822816.db2.gz MNXNRZUPYVOZQN-UHFFFAOYSA-N -1 0 365.414 3.683 50 0 FHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(C(F)(F)F)c4)c=3c2=O)cc1 ZINC000102807518 570837982 /nfs/dbraw/zinc/83/79/82/570837982.db2.gz AFCHXXFHDJJCDW-LSDHHAIUSA-N -1 0 374.322 3.512 50 0 FHAARM C[C@@H](OC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1ccc(Cl)cc1 ZINC000102754166 570838253 /nfs/dbraw/zinc/83/82/53/570838253.db2.gz VOULWPRZEYFADL-SNVBAGLBSA-N -1 0 374.849 3.794 50 0 FHAARM O=c1[n-]c(Nc2ccc(Br)cc2)nnc1Cc1ccccc1 ZINC000016806818 570862184 /nfs/dbraw/zinc/86/21/84/570862184.db2.gz KJUKQFIJAJRPJE-UHFFFAOYSA-N -1 0 357.211 3.674 50 0 FHAARM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000017074378 570867050 /nfs/dbraw/zinc/86/70/50/570867050.db2.gz HXQNNVLZYPKGTN-UHFFFAOYSA-N -1 0 361.341 3.523 50 0 FHAARM Cc1nn(CC(=O)[O-])c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c12 ZINC000020349735 570914356 /nfs/dbraw/zinc/91/43/56/570914356.db2.gz XEAHIPHJZQOHIV-UHFFFAOYSA-N -1 0 353.275 3.649 50 0 FHAARM O=C([O-])/C=C/C(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000020458089 570917032 /nfs/dbraw/zinc/91/70/32/570917032.db2.gz GUJFBGZQHDRTQI-MDZDMXLPSA-N -1 0 362.179 3.821 50 0 FHAARM O=C([O-])/C=C/C(=O)Nc1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1 ZINC000020534253 570919237 /nfs/dbraw/zinc/91/92/37/570919237.db2.gz VOADGBJCPGOHBE-MDZDMXLPSA-N -1 0 357.369 3.962 50 0 FHAARM O=c1c(C[P@@](=O)([O-])CCc2ccccc2)cc2cccc3c2n1CC3 ZINC000020735571 570924665 /nfs/dbraw/zinc/92/46/65/570924665.db2.gz IWFLFNAKNKPKRN-UHFFFAOYSA-N -1 0 353.358 3.571 50 0 FHAARM Cc1nc(CSc2ccccc2C(=O)N(C)C[C@@H](C)C(=O)[O-])cs1 ZINC000225460724 571037409 /nfs/dbraw/zinc/03/74/09/571037409.db2.gz RWVZEVGHYHGIEY-LLVKDONJSA-N -1 0 364.492 3.537 50 0 FHAARM CC(C)[C@H](NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)[O-] ZINC000225465859 571037889 /nfs/dbraw/zinc/03/78/89/571037889.db2.gz IECHFMFSHHXDBR-LBPRGKRZSA-N -1 0 372.368 3.668 50 0 FHAARM O=S(=O)([N-]c1cnc2ccccc2c1)c1ccccc1Br ZINC000008674508 571054600 /nfs/dbraw/zinc/05/46/00/571054600.db2.gz JJUIKFZKUVEGIB-UHFFFAOYSA-N -1 0 363.236 3.798 50 0 FHAARM CCn1nc([N-]S(=O)(=O)c2ccccc2)c2cc3ccc(C)cc3nc21 ZINC000009317202 571104404 /nfs/dbraw/zinc/10/44/04/571104404.db2.gz OUKYRWXRHRIFMF-UHFFFAOYSA-N -1 0 366.446 3.714 50 0 FHAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 ZINC000239762178 571108758 /nfs/dbraw/zinc/10/87/58/571108758.db2.gz CLCRVKCEKMEWOR-QGZVFWFLSA-N -1 0 356.809 3.883 50 0 FHAARM O=C([O-])[C@H]1C[C@@]12CCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000306972991 571114082 /nfs/dbraw/zinc/11/40/82/571114082.db2.gz VAHCWDPQONURLI-DENIHFKCSA-N -1 0 363.413 3.732 50 0 FHAARM COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000013186122 571119351 /nfs/dbraw/zinc/11/93/51/571119351.db2.gz KZAZDWCLYUSLSC-UHFFFAOYSA-N -1 0 373.836 3.607 50 0 FHAARM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000165543979 571122595 /nfs/dbraw/zinc/12/25/95/571122595.db2.gz QHKDREJBVWDUCR-VIFPVBQESA-N -1 0 372.368 3.560 50 0 FHAARM O=C([O-])COc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1 ZINC000000942831 571135153 /nfs/dbraw/zinc/13/51/53/571135153.db2.gz YRVYSMBWCXFANU-UHFFFAOYSA-N -1 0 353.355 3.533 50 0 FHAARM CC(C)(C)OC(=O)NC[C@@H](CC(=O)[O-])c1ccc(Br)s1 ZINC000685944155 571142180 /nfs/dbraw/zinc/14/21/80/571142180.db2.gz SAYKDYYTMHAZHY-MRVPVSSYSA-N -1 0 364.261 3.594 50 0 FHAARM Cc1c2ccccc2oc1[C@H]1CC(=O)Nc2cc(OCC(=O)[O-])ccc21 ZINC000065464100 571143697 /nfs/dbraw/zinc/14/36/97/571143697.db2.gz YRLSRBFPNRUQMG-HNNXBMFYSA-N -1 0 351.358 3.679 50 0 FHAARM ON=c1[n-]sc(N2CCOCC2)c1Nc1cccc(C(F)(F)F)c1 ZINC000075272319 571159085 /nfs/dbraw/zinc/15/90/85/571159085.db2.gz LOIQKTYUCXBQIH-UHFFFAOYSA-N -1 0 360.361 3.543 50 0 FHAARM COc1cccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)sc2C)c1 ZINC000075435245 571178844 /nfs/dbraw/zinc/17/88/44/571178844.db2.gz OVMKKECMYRZOKL-UHFFFAOYSA-N -1 0 364.448 3.829 50 0 FHAARM Cc1oc(-c2cc[nH]n2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000075518896 571193356 /nfs/dbraw/zinc/19/33/56/571193356.db2.gz 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ZINC000237947222 571208999 /nfs/dbraw/zinc/20/89/99/571208999.db2.gz NUTOUFZCXDYRCM-AWEZNQCLSA-N -1 0 353.846 3.602 50 0 FHAARM Cc1ccccc1OC1(C(=O)[O-])CCN(Cc2c(F)cccc2F)CC1 ZINC000082120974 571228901 /nfs/dbraw/zinc/22/89/01/571228901.db2.gz IHAZLVWFCDISQK-UHFFFAOYSA-N -1 0 361.388 3.771 50 0 FHAARM O=C([O-])[C@@H](NC(=O)N(Cc1ccccn1)C1CCCCC1)c1ccccc1 ZINC000426658196 571234423 /nfs/dbraw/zinc/23/44/23/571234423.db2.gz ILCZNABIWUPCBF-IBGZPJMESA-N -1 0 367.449 3.752 50 0 FHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(-c2c(C)noc2C)cc1 ZINC000064837824 571244308 /nfs/dbraw/zinc/24/43/08/571244308.db2.gz VXIMBUGQBAZBCT-UHFFFAOYSA-N -1 0 358.419 3.768 50 0 FHAARM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)s2)c1 ZINC000064920351 571246375 /nfs/dbraw/zinc/24/63/75/571246375.db2.gz IBFCGHAGKWNZFJ-UHFFFAOYSA-N -1 0 361.448 3.785 50 0 FHAARM Cc1cc([N-]S(=O)(=O)c2cn(CC(C)C)c3ncccc23)ccc1F ZINC000065242311 571257707 /nfs/dbraw/zinc/25/77/07/571257707.db2.gz LRIHNYIKRQHRCL-UHFFFAOYSA-N -1 0 361.442 3.941 50 0 FHAARM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000007405641 571265180 /nfs/dbraw/zinc/26/51/80/571265180.db2.gz BYRCFHZZKPHQDA-UHFFFAOYSA-N -1 0 350.234 3.759 50 0 FHAARM C[C@@H](CCc1ccccc1)CC(=O)N[C@H](C(=O)[O-])c1ccc(F)c(F)c1 ZINC000170592163 571266170 /nfs/dbraw/zinc/26/61/70/571266170.db2.gz MRRVDADRDCLPDF-DJJJIMSYSA-N -1 0 361.388 3.866 50 0 FHAARM CC(C)C(=O)Nc1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1Cl ZINC000071289126 571270013 /nfs/dbraw/zinc/27/00/13/571270013.db2.gz ZYENFYSYDQNJGP-UHFFFAOYSA-N -1 0 374.824 3.814 50 0 FHAARM O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cccc(Cl)c1 ZINC000089827794 571273485 /nfs/dbraw/zinc/27/34/85/571273485.db2.gz ITPCDKKAGUXLJZ-QGZVFWFLSA-N -1 0 356.809 3.883 50 0 FHAARM Cc1nc2ccccc2cc1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237758195 571281567 /nfs/dbraw/zinc/28/15/67/571281567.db2.gz DXFRIOIPVCSESM-UHFFFAOYSA-N -1 0 374.440 3.802 50 0 FHAARM CCc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)no1 ZINC000021702097 571335621 /nfs/dbraw/zinc/33/56/21/571335621.db2.gz JTISNXGBTCKTEG-UHFFFAOYSA-N -1 0 363.464 3.778 50 0 FHAARM COc1cc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc(OC)c1 ZINC000002626105 571339482 /nfs/dbraw/zinc/33/94/82/571339482.db2.gz OITSGMYNMZSOTE-UHFFFAOYSA-N -1 0 362.234 3.811 50 0 FHAARM CCc1ccc(OCn2cc([N-]S(=O)(=O)c3ccc(C)cc3)cn2)cc1 ZINC000002804410 571341241 /nfs/dbraw/zinc/34/12/41/571341241.db2.gz YZYGRYTXFXFNAT-UHFFFAOYSA-N -1 0 371.462 3.591 50 0 FHAARM O=C([O-])c1cccc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)c1 ZINC000002947422 571342062 /nfs/dbraw/zinc/34/20/62/571342062.db2.gz LVIYTRZQAQCMRJ-HNNXBMFYSA-N -1 0 351.786 3.956 50 0 FHAARM CCCSCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000056886158 571342143 /nfs/dbraw/zinc/34/21/43/571342143.db2.gz UBDZMWZZRJXCRG-UHFFFAOYSA-N -1 0 370.521 3.631 50 0 FHAARM O=C([O-])[C@H]1CC(=O)N(c2ccc3oc(-c4ccccc4Cl)nc3c2)C1 ZINC000057327275 571342596 /nfs/dbraw/zinc/34/25/96/571342596.db2.gz RZNIFIJBNPSEMS-JTQLQIEISA-N -1 0 356.765 3.586 50 0 FHAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc2c(s1)CCCCC2 ZINC000030032017 571344912 /nfs/dbraw/zinc/34/49/12/571344912.db2.gz GDFAOYMVVHRMAZ-UHFFFAOYSA-N -1 0 373.503 3.587 50 0 FHAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1 ZINC000003332191 571347578 /nfs/dbraw/zinc/34/75/78/571347578.db2.gz ILKUVXSTBYBQSS-UHFFFAOYSA-N -1 0 373.352 3.683 50 0 FHAARM Cc1ccc(C(=N[N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(F)(F)F)o1 ZINC000004199392 571356767 /nfs/dbraw/zinc/35/67/67/571356767.db2.gz NQMLESZGFDIILH-UHFFFAOYSA-N -1 0 358.232 3.783 50 0 FHAARM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000237224315 600198325 /nfs/dbraw/zinc/19/83/25/600198325.db2.gz MYQRCUCTVCZXLT-LKFCYVNXSA-N -1 0 353.827 3.606 50 0 FHAARM COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000262420673 600884000 /nfs/dbraw/zinc/88/40/00/600884000.db2.gz QBRDCJVOCAIQGQ-MORSLUCNSA-N -1 0 353.418 3.602 50 0 FHAARM COc1ccc2c(c1)[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1cccs1)CCC2 ZINC000656231783 930735194 /nfs/dbraw/zinc/73/51/94/930735194.db2.gz DVBMGTGAJSRKRI-HOCLYGCPSA-N -1 0 359.447 3.509 50 0 FHAARM O=C([O-])c1ccc(F)c(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000024433270 942047006 /nfs/dbraw/zinc/04/70/06/942047006.db2.gz MVXMTGSFPVOYKT-BQYQJAHWSA-N -1 0 355.774 3.590 50 0 FHAARM COCc1nnc(NC(=O)c2nc(C)sc2-c2ccc(F)cc2)s1 ZINC000888103841 948482392 /nfs/dbraw/zinc/48/23/92/948482392.db2.gz CVFXHKGQJGWDHT-UHFFFAOYSA-N -1 0 364.427 3.508 50 0 FHAARM O=S(=O)([N-]c1ccc(F)cc1F)c1ccc(Br)s1 ZINC000001127164 219375879 /nfs/dbraw/zinc/37/58/79/219375879.db2.gz CGZDIMNBFUAICX-UHFFFAOYSA-N -1 0 354.197 3.590 50 0 FHAARM [O-]c1c([C@@H](c2cccs2)N2CCc3ccccc3C2)sc2ncnn12 ZINC000022610234 209687084 /nfs/dbraw/zinc/68/70/84/209687084.db2.gz ZGKJJZDDKOXPKV-OAHLLOKOSA-N -1 0 368.487 3.706 50 0 FHAARM CCOC(=O)c1c(NC(=O)/C(C)=C\C(=O)[O-])sc(C)c1-c1ccccc1 ZINC000011566360 209557971 /nfs/dbraw/zinc/55/79/71/209557971.db2.gz HMAIJGGOHCOZKE-KHPPLWFESA-N -1 0 373.430 3.870 50 0 FHAARM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000170649459 209550337 /nfs/dbraw/zinc/55/03/37/209550337.db2.gz FWATUZYDKGTKNT-NDHGSNPTSA-N -1 0 374.487 3.687 50 0 FHAARM O=C([O-])Cn1cnc2scc(-c3ccc(-c4ccccc4)cc3)c2c1=O ZINC000000951862 209384667 /nfs/dbraw/zinc/38/46/67/209384667.db2.gz BEECBIGSDBHSOT-UHFFFAOYSA-N -1 0 362.410 3.877 50 0 FHAARM O=c1[n-]n2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Br ZINC000003175864 209399438 /nfs/dbraw/zinc/39/94/38/209399438.db2.gz HNRYVMPQNYJLQI-UHFFFAOYSA-N -1 0 358.117 3.883 50 0 FHAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1csc(-c2ccccc2F)n1 ZINC000237998600 209357613 /nfs/dbraw/zinc/35/76/13/209357613.db2.gz ONDZJGPGMVVHEF-GFCCVEGCSA-N -1 0 362.426 3.809 50 0 FHAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000237928095 209355274 /nfs/dbraw/zinc/35/52/74/209355274.db2.gz DUXZCOMWGHBGDO-LSDHHAIUSA-N -1 0 357.372 3.969 50 0 FHAARM COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000237257724 209340115 /nfs/dbraw/zinc/34/01/15/209340115.db2.gz FGBOSDUQANIHGG-RDJZCZTQSA-N -1 0 359.466 3.609 50 0 FHAARM COc1ccc(Oc2ncccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000041615907 209240810 /nfs/dbraw/zinc/24/08/10/209240810.db2.gz MOTYZNWCQIAWLX-UHFFFAOYSA-N -1 0 374.393 3.822 50 0 FHAARM CSc1n[n-]c2nc3c(c(=O)n12)C1(CCCCC1)Cc1ccccc1-3 ZINC000100492900 209215231 /nfs/dbraw/zinc/21/52/31/209215231.db2.gz BUWMQTXKECMREG-UHFFFAOYSA-N -1 0 352.463 3.565 50 0 FHAARM Cc1cc(I)ccc1-n1[n-]c(C(F)(F)F)cc1=O ZINC000100164434 209210565 /nfs/dbraw/zinc/21/05/65/209210565.db2.gz IHTWJVSRUXRRPM-UHFFFAOYSA-N -1 0 368.096 3.510 50 0 FHAARM Cc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2cccc(C(C)C)c2)n1 ZINC000096379769 209151677 /nfs/dbraw/zinc/15/16/77/209151677.db2.gz NMNSYWKHSPLQJU-UHFFFAOYSA-N -1 0 374.466 3.914 50 0 FHAARM CCc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(C)cc2C)n1 ZINC000096379790 209151624 /nfs/dbraw/zinc/15/16/24/209151624.db2.gz ZEGCFNAFAIUGOB-UHFFFAOYSA-N -1 0 374.466 3.662 50 0 FHAARM COc1ccc(/C=C2\SC(=O)N(Cc3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000013016608 220054240 /nfs/dbraw/zinc/05/42/40/220054240.db2.gz ISBZCYWYYYAQNY-YBEGLDIGSA-N -1 0 369.398 3.630 50 0 FHAARM O=C([O-])[C@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000628941 206817853 /nfs/dbraw/zinc/81/78/53/206817853.db2.gz CKLAZLINARHOTG-LJQANCHMSA-N -1 0 351.402 3.875 50 0 FHAARM COc1ccc(-c2nnc(S[C@@H](C)C(=O)[O-])n2-c2ccccc2)cc1 ZINC000002886074 206944010 /nfs/dbraw/zinc/94/40/10/206944010.db2.gz RWTYGFFXPXAMTM-LBPRGKRZSA-N -1 0 355.419 3.508 50 0 FHAARM O=C([O-])CCCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1F ZINC000004104458 207001501 /nfs/dbraw/zinc/00/15/01/207001501.db2.gz DEELNTHFIIHRMK-SFHVURJKSA-N -1 0 354.381 3.758 50 0 FHAARM CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CCC(=O)[O-] ZINC000004179869 207006513 /nfs/dbraw/zinc/00/65/13/207006513.db2.gz OLLNZGQHSMDXEC-UHFFFAOYSA-N -1 0 365.382 3.534 50 0 FHAARM Cc1cc(C)n(-c2nc3ccccc3nc2Nc2cccc(C(=O)[O-])c2)n1 ZINC000004396344 207018981 /nfs/dbraw/zinc/01/89/81/207018981.db2.gz YLKGNCZEORRQHO-UHFFFAOYSA-N -1 0 359.389 3.874 50 0 FHAARM COc1ccc([C@H](NC(=O)c2ccccc2C(=O)[O-])c2ccccc2)cc1 ZINC000004523743 207025298 /nfs/dbraw/zinc/02/52/98/207025298.db2.gz JGFXIZLNNUIUOC-HXUWFJFHSA-N -1 0 361.397 3.913 50 0 FHAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000004547077 207026852 /nfs/dbraw/zinc/02/68/52/207026852.db2.gz GWLBDEXJQIOVGY-JKSUJKDBSA-N -1 0 366.417 3.768 50 0 FHAARM CC(C)N1C(=O)S/C(=C\c2cccn2-c2cccc(C(=O)[O-])c2)C1=O ZINC000004622122 207032406 /nfs/dbraw/zinc/03/24/06/207032406.db2.gz PQJNYCXCRYXYLG-GDNBJRDFSA-N -1 0 356.403 3.620 50 0 FHAARM O=C([O-])C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004601605 207032820 /nfs/dbraw/zinc/03/28/20/207032820.db2.gz VBNARKKLDZAPGL-HNNXBMFYSA-N -1 0 352.217 3.868 50 0 FHAARM Cc1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c(C(=O)OC(C)C)c1C ZINC000004628560 207033278 /nfs/dbraw/zinc/03/32/78/207033278.db2.gz KCJYPTXZGPVIKV-CHWSQXEVSA-N -1 0 367.467 3.760 50 0 FHAARM COCc1[n-]n2c(nc(C)c(Cc3ccccc3)c2=O)c1-c1ccccc1 ZINC000004741752 207044394 /nfs/dbraw/zinc/04/43/94/207044394.db2.gz VPHOJGSNDTYONL-UHFFFAOYSA-N -1 0 359.429 3.735 50 0 FHAARM O=C([O-])c1cc(NC(=S)NC(=O)c2cc3ccccc3o2)ccc1Cl ZINC000004845392 207053887 /nfs/dbraw/zinc/05/38/87/207053887.db2.gz JTTCZARDASMEOD-UHFFFAOYSA-N -1 0 374.805 3.911 50 0 FHAARM Cc1c2ccc(OCc3ccc(Cl)cc3)cc2oc(=O)c1CC(=O)[O-] ZINC000004993855 207068924 /nfs/dbraw/zinc/06/89/24/207068924.db2.gz WGEAMUJSZQHZPP-UHFFFAOYSA-N -1 0 358.777 3.961 50 0 FHAARM CCCCOc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000005030197 207074233 /nfs/dbraw/zinc/07/42/33/207074233.db2.gz YLUOBGGJDHFHSH-UHFFFAOYSA-N -1 0 371.462 3.918 50 0 FHAARM CCOc1ccc(NC(=O)[C@@H](Cc2ccc(C)cc2)[C@H](C)C(=O)[O-])cc1 ZINC000005005859 207070995 /nfs/dbraw/zinc/07/09/95/207070995.db2.gz LIYPMTXARPFBDR-KXBFYZLASA-N -1 0 355.434 3.912 50 0 FHAARM CCC[C@@H](C)c1c([O-])nc(Nc2nc(C)c3ccc(C)cc3n2)[nH]c1=O ZINC000005118780 207082215 /nfs/dbraw/zinc/08/22/15/207082215.db2.gz GIROUTUQVFVYEY-LLVKDONJSA-N -1 0 353.426 3.683 50 0 FHAARM O=C(NCc1n[n-]c(=S)n1-c1cccc(Cl)c1)c1ccccc1F ZINC000005128720 207083841 /nfs/dbraw/zinc/08/38/41/207083841.db2.gz SCTVZJLDHMDDGI-UHFFFAOYSA-N -1 0 362.817 3.652 50 0 FHAARM Cc1cccc(C(C)C)c1NC(=O)CC1=S([O-])c2ccccc2NC1=O ZINC000005711403 207113808 /nfs/dbraw/zinc/11/38/08/207113808.db2.gz KQRBYTXXCUEBKM-QLXKLKPCSA-N -1 0 370.474 3.576 50 0 FHAARM O=C(Nc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006147158 207132487 /nfs/dbraw/zinc/13/24/87/207132487.db2.gz HUESJLIKUQCQAN-UHFFFAOYSA-N -1 0 370.405 3.879 50 0 FHAARM COc1ccc(-c2c(Cc3ccccc3)[n-]n3c2nc2c(c3=O)CCC2)cc1 ZINC000006681993 207154753 /nfs/dbraw/zinc/15/47/53/207154753.db2.gz FZSBSDZKUDAHNG-UHFFFAOYSA-N -1 0 371.440 3.778 50 0 FHAARM CC(C)(C)OC(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1C(=O)[O-] ZINC000006882668 207175063 /nfs/dbraw/zinc/17/50/63/207175063.db2.gz HSXQVIMNRUSVMG-MSOLQXFVSA-N -1 0 371.433 3.819 50 0 FHAARM CCOc1ccc(C(=O)Nc2c([O-])c3ccccc3oc2=O)cc1OCC ZINC000006825799 207169947 /nfs/dbraw/zinc/16/99/47/207169947.db2.gz ZKHOXXSHMYWIIT-UHFFFAOYSA-N -1 0 369.373 3.548 50 0 FHAARM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CC2)cc1 ZINC000007054352 207185058 /nfs/dbraw/zinc/18/50/58/207185058.db2.gz LIZAQZSETSBHNR-UHFFFAOYSA-N -1 0 372.490 3.677 50 0 FHAARM CCc1ccc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC000007502948 207196332 /nfs/dbraw/zinc/19/63/32/207196332.db2.gz MIBIQFWDBJFGNW-DHDCSXOGSA-N -1 0 354.793 3.921 50 0 FHAARM O=S(=O)([N-]c1nc2c(cc(F)cc2F)s1)c1ccc(F)cc1F ZINC000008185008 207221629 /nfs/dbraw/zinc/22/16/29/207221629.db2.gz WXFRDFHEEIIEGO-UHFFFAOYSA-N -1 0 362.329 3.654 50 0 FHAARM CC(=O)Nc1cc(C(=O)COC(=O)c2cccc3ccccc32)ccc1[O-] ZINC000009479499 207272291 /nfs/dbraw/zinc/27/22/91/207272291.db2.gz OXRSOAGWRQWKTR-UHFFFAOYSA-N -1 0 363.369 3.544 50 0 FHAARM Cc1c(C(=O)[O-])sc2[nH]c(C(Cl)=Cc3cccc(F)c3)nc(=O)c12 ZINC000009689984 207281422 /nfs/dbraw/zinc/28/14/22/207281422.db2.gz HMLZNVVPKFCZJS-POHAHGRESA-N -1 0 364.785 3.867 50 0 FHAARM O=C([O-])c1nc(SCc2ccc(Cl)cc2)ncc1Br ZINC000028291916 207957509 /nfs/dbraw/zinc/95/75/09/207957509.db2.gz XRDLPXCUWGKCQU-UHFFFAOYSA-N -1 0 359.632 3.883 50 0 FHAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC ZINC000032603673 208032343 /nfs/dbraw/zinc/03/23/43/208032343.db2.gz DXUMSVQLQHFGMN-UHFFFAOYSA-N -1 0 355.843 3.938 50 0 FHAARM CC1(C)c2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc2C(C)(C)C1=O ZINC000034008167 208101857 /nfs/dbraw/zinc/10/18/57/208101857.db2.gz KFBPBWUZXBYJDG-UHFFFAOYSA-N -1 0 351.402 3.775 50 0 in-vitro FHAARM O=S(=O)([N-]c1ccc(-c2noc(-c3ccco3)n2)cc1)c1cccs1 ZINC000033122893 208073224 /nfs/dbraw/zinc/07/32/24/208073224.db2.gz DUENTWXKWFEPAZ-UHFFFAOYSA-N -1 0 373.415 3.859 50 0 FHAARM CCSc1nc2ccc([N-]S(=O)(=O)c3c(C)n[nH]c3C)cc2s1 ZINC000033298849 208082933 /nfs/dbraw/zinc/08/29/33/208082933.db2.gz LTJGJWDCUNYYPS-UHFFFAOYSA-N -1 0 368.509 3.549 50 0 FHAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c(C)s2)no1 ZINC000035539035 208129715 /nfs/dbraw/zinc/12/97/15/208129715.db2.gz JMNTYRRTLCEIJP-UHFFFAOYSA-N -1 0 369.855 3.869 50 0 FHAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccnc2Nc2ccccc2)cc1 ZINC000034526983 208104487 /nfs/dbraw/zinc/10/44/87/208104487.db2.gz FKTNAFYBVVKMQZ-UHFFFAOYSA-N -1 0 367.430 3.829 50 0 FHAARM O=C([O-])[C@H]1CS[C@@H](c2ccc(F)cc2)N1C(=O)c1ccc(Cl)cc1 ZINC000035110296 208119313 /nfs/dbraw/zinc/11/93/13/208119313.db2.gz WOHVAZXZWUTCHL-ZBFHGGJFSA-N -1 0 365.813 3.820 50 0 FHAARM CC(C)C[C@H](NC(=O)Cc1csc(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC000036365381 208160427 /nfs/dbraw/zinc/16/04/27/208160427.db2.gz YHJNUKCJMJDGHD-AWEZNQCLSA-N -1 0 366.870 3.622 50 0 FHAARM COc1cccc(-c2cc(C(=O)[O-])n3nc(-c4ccc(F)cc4)cc3n2)c1 ZINC000036615699 208166415 /nfs/dbraw/zinc/16/64/15/208166415.db2.gz XWKPWXFCUAODQY-UHFFFAOYSA-N -1 0 363.348 3.909 50 0 FHAARM Cc1nc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)ccc2[nH]1 ZINC000044921900 208322465 /nfs/dbraw/zinc/32/24/65/208322465.db2.gz LCVNGNUGXCWRTP-UHFFFAOYSA-N -1 0 356.234 3.979 50 0 FHAARM O=C([N-]O[C@@H]1CCCCO1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000060333189 208594534 /nfs/dbraw/zinc/59/45/34/208594534.db2.gz GXJQFNOGFMGOAA-VQTJNVASSA-N -1 0 365.433 3.568 50 0 FHAARM CCc1cccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)o2)c1 ZINC000065246330 208652508 /nfs/dbraw/zinc/65/25/08/208652508.db2.gz KFCLNZOTWGTVFN-UHFFFAOYSA-N -1 0 359.407 3.570 50 0 FHAARM Cc1ccccc1-c1c[nH]nc1C1CCN(c2ncccc2C(=O)[O-])CC1 ZINC000067541617 208708788 /nfs/dbraw/zinc/70/87/88/208708788.db2.gz SHSCBNBEAVQNKD-UHFFFAOYSA-N -1 0 362.433 3.862 50 0 FHAARM O=C([O-])c1ccccc1CC(=O)Nc1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000072401534 208844524 /nfs/dbraw/zinc/84/45/24/208844524.db2.gz XFBCKGYDONFZTG-UHFFFAOYSA-N -1 0 355.781 3.610 50 0 FHAARM CCc1ccc(-c2[nH]nc3c2[C@@]2(C(=O)[O-])C[C@@H](N3)c3ccccc3O2)cc1 ZINC000072332283 208834049 /nfs/dbraw/zinc/83/40/49/208834049.db2.gz RMCCQXSDBPUCKB-QVKFZJNVSA-N -1 0 361.401 3.868 50 0 FHAARM CCc1ccc(C(=O)c2ccccc2C(=O)N(CC)C[C@@H](C)C(=O)[O-])s1 ZINC000095989506 209093690 /nfs/dbraw/zinc/09/36/90/209093690.db2.gz SHSHVKXSKKQRJI-CYBMUJFWSA-N -1 0 373.474 3.724 50 0 FHAARM Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000095349556 209022011 /nfs/dbraw/zinc/02/20/11/209022011.db2.gz TVDKRMAFIQVFCF-UHFFFAOYSA-N -1 0 369.808 3.844 50 0 FHAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)c3cnc4c(c3)CCCC4)C2)cc1 ZINC000095353115 209023275 /nfs/dbraw/zinc/02/32/75/209023275.db2.gz PWWWSCKZWRESDH-GOSISDBHSA-N -1 0 364.445 3.678 50 0 FHAARM CC(C)(C)n1ccc(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)c1 ZINC000095386967 209044923 /nfs/dbraw/zinc/04/49/23/209044923.db2.gz ORJFWLGRJIMWKW-KRWDZBQOSA-N -1 0 354.450 3.961 50 0 FHAARM CCOc1cccc(C(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)c1 ZINC000095375193 209036289 /nfs/dbraw/zinc/03/62/89/209036289.db2.gz TVVCTCOXBXSLPZ-GOSISDBHSA-N -1 0 353.418 3.803 50 0 FHAARM O=C([O-])c1cccc(C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000095445264 209050672 /nfs/dbraw/zinc/05/06/72/209050672.db2.gz ZLIYUBUAWQNTGT-SFHVURJKSA-N -1 0 373.836 3.624 50 0 FHAARM Cc1nc(C(C)C)sc1C(=O)N[C@]1(C(=O)[O-])CCCc2ccccc21 ZINC000095496791 209060249 /nfs/dbraw/zinc/06/02/49/209060249.db2.gz TXTHTCSNSMAJKW-LJQANCHMSA-N -1 0 358.463 3.621 50 0 FHAARM Cc1ccc(-c2cc(C(=O)N[C@@H](CC(=O)[O-])c3ccc(F)cc3)[nH]n2)s1 ZINC000095498933 209062244 /nfs/dbraw/zinc/06/22/44/209062244.db2.gz LUHOTZQHHDKTEF-ZDUSSCGKSA-N -1 0 373.409 3.532 50 0 FHAARM O=C([O-])c1cccc(Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)c1 ZINC000095953129 209089556 /nfs/dbraw/zinc/08/95/56/209089556.db2.gz SSJHIIQJYWJYNR-UHFFFAOYSA-N -1 0 362.410 3.941 50 0 FHAARM Cc1oc2ncnc([N-]S(=O)(=O)c3cc(C)c(F)cc3Cl)c2c1C ZINC000095944103 209088579 /nfs/dbraw/zinc/08/85/79/209088579.db2.gz SGZTWCZHRFZAJV-UHFFFAOYSA-N -1 0 369.805 3.741 50 0 FHAARM O=C([O-])c1ccc(N2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)nc1 ZINC000067947303 136119012 /nfs/dbraw/zinc/11/90/12/136119012.db2.gz MVRHPBZOQZPKOB-OAHLLOKOSA-N -1 0 366.396 3.693 50 0 FHAARM CC[C@@H](C)[C@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)[O-] ZINC000020745578 522374978 /nfs/dbraw/zinc/37/49/78/522374978.db2.gz BLUBQYACXZQFMW-BMIGLBTASA-N -1 0 366.870 3.622 50 0 FHAARM COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)[O-])c(O)c2C)c(OC)c1C ZINC000001687273 560183856 /nfs/dbraw/zinc/18/38/56/560183856.db2.gz MIJKZXWOOXIEEU-UHFFFAOYSA-N -1 0 374.389 3.560 50 0 biogenic,in-vitro FHAARM O=C([O-])[C@H]1CC(=O)N(Cc2ccccc2)C(=Nc2ccc(Cl)cc2)S1 ZINC000000708787 568115592 /nfs/dbraw/zinc/11/55/92/568115592.db2.gz WNATZJUNQNGPRL-OAHLLOKOSA-N -1 0 374.849 3.946 50 0 FHAARM CC(=O)Nc1ccc(-c2csc(Nc3ccc(O)c(C(=O)[O-])c3)n2)cc1 ZINC000000813387 568283958 /nfs/dbraw/zinc/28/39/58/568283958.db2.gz SGTHAUDSAAFTIL-UHFFFAOYSA-N -1 0 369.402 3.916 50 0 FHAARM O=C([O-])c1ccc(NC(=S)NC(=O)c2ccc3ccccc3c2)cc1 ZINC000000311530 570438420 /nfs/dbraw/zinc/43/84/20/570438420.db2.gz SJZYOXYNLOILPL-UHFFFAOYSA-N -1 0 350.399 3.665 50 0 FHAARM COc1cc(NC(=O)Nc2cccc(Cl)c2)c(C(=O)[O-])cc1OC ZINC000000501843 570438450 /nfs/dbraw/zinc/43/84/50/570438450.db2.gz NEERENZXAZIERC-UHFFFAOYSA-N -1 0 350.758 3.699 50 0 FHAARM CCOC(=O)c1c(NC(=O)c2ccccc2C(=O)[O-])sc2c1CCCC2 ZINC000000752028 570454436 /nfs/dbraw/zinc/45/44/36/570454436.db2.gz QRKGNIKWFKAJHB-UHFFFAOYSA-N -1 0 373.430 3.754 50 0 FHAARM O=C([O-])c1ccc(N2C(=O)c3ccc(Oc4ccccc4)cc3C2=O)cc1 ZINC000000822919 570458579 /nfs/dbraw/zinc/45/85/79/570458579.db2.gz LTKQCBHRJLRLFC-UHFFFAOYSA-N -1 0 359.337 3.978 50 0 FHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000000950289 570466004 /nfs/dbraw/zinc/46/60/04/570466004.db2.gz CWTOKPRCKAKKQA-UHFFFAOYSA-N -1 0 368.414 3.523 50 0 FHAARM CCOc1ccc(NC(=O)[C@@H](Cc2ccc(C)cc2)[C@@H](C)C(=O)[O-])cc1 ZINC000001017707 570471352 /nfs/dbraw/zinc/47/13/52/570471352.db2.gz LIYPMTXARPFBDR-BEFAXECRSA-N -1 0 355.434 3.912 50 0 FHAARM CN(C(=O)[C@@H]1CC[C@@H]1C(=O)[O-])c1nc(-c2ccc(Cl)s2)cs1 ZINC000001028529 570472464 /nfs/dbraw/zinc/47/24/64/570472464.db2.gz TXVSFPFERYOHLE-SFYZADRCSA-N -1 0 356.856 3.599 50 0 FHAARM CCOC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000001047146 570476921 /nfs/dbraw/zinc/47/69/21/570476921.db2.gz IHDMBCSAMYKUSY-UHFFFAOYSA-N -1 0 357.815 3.527 50 0 FHAARM CCC(NC(=O)Nc1ccccc1C(=O)[O-])(C(F)(F)F)C(F)(F)F ZINC000001079203 570479446 /nfs/dbraw/zinc/47/94/46/570479446.db2.gz BKMDKYVMHQPEHS-UHFFFAOYSA-N -1 0 358.238 3.780 50 0 FHAARM Cc1nn(-c2ccc(C)c(C)c2)c(C)c1[N-]S(=O)(=O)c1ccccc1 ZINC000001122079 570482105 /nfs/dbraw/zinc/48/21/05/570482105.db2.gz CNAVWEHBSBPVKE-UHFFFAOYSA-N -1 0 355.463 3.907 50 0 FHAARM O=C([O-])c1cccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000001183759 570490440 /nfs/dbraw/zinc/49/04/40/570490440.db2.gz NTCDQLXPAJQOEY-UHFFFAOYSA-N -1 0 366.398 3.951 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000001231736 570495707 /nfs/dbraw/zinc/49/57/07/570495707.db2.gz SKVODPYBKZJATG-UHFFFAOYSA-N -1 0 358.341 3.524 50 0 FHAARM CCOc1ccc2nc([N-]c3nc(C)c(C(C)=O)c(C)n3)nc(C)c2c1 ZINC000001268462 570496950 /nfs/dbraw/zinc/49/69/50/570496950.db2.gz RXAOHPJJHFLORL-UHFFFAOYSA-N -1 0 351.410 3.690 50 0 FHAARM CC(C)Oc1cc(NC(=O)CSCC(=O)[O-])c(Cl)cc1Cl ZINC000001397916 570498943 /nfs/dbraw/zinc/49/89/43/570498943.db2.gz CALWKTUYYWARJO-UHFFFAOYSA-N -1 0 352.239 3.537 50 0 FHAARM CCN1c2ccc(S(=O)(=O)Nc3cccc(F)c3)c3cccc(c23)C1=O ZINC000001448654 570500583 /nfs/dbraw/zinc/50/05/83/570500583.db2.gz OAPQWZFQATWEDW-UHFFFAOYSA-N -1 0 370.405 3.760 50 0 FHAARM C[C@@H]1CCc2c(sc3ncn4nc(-c5ccccc5C(=O)[O-])nc4c23)C1 ZINC000002441733 570521292 /nfs/dbraw/zinc/52/12/92/570521292.db2.gz RTLMQSNSBGWVRA-SNVBAGLBSA-N -1 0 364.430 3.829 50 0 FHAARM Cn1cc(C(=O)c2ccccc2C(=O)[O-])cc1C(=O)C(Cl)(Cl)Cl ZINC000002508548 570522609 /nfs/dbraw/zinc/52/26/09/570522609.db2.gz RWIRDVCDERGSSD-UHFFFAOYSA-N -1 0 374.607 3.507 50 0 FHAARM O=C(Nc1ccccc1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000002826278 570534402 /nfs/dbraw/zinc/53/44/02/570534402.db2.gz COYFSIBKHNLKJH-UHFFFAOYSA-N -1 0 358.444 3.801 50 0 FHAARM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)c(F)cc1F ZINC000328599716 570537662 /nfs/dbraw/zinc/53/76/62/570537662.db2.gz SZLDONXVHQWFLX-UHFFFAOYSA-N -1 0 367.402 3.593 50 0 FHAARM CCn1c(Cc2ccccc2)nnc1SCc1cccc(C(=O)[O-])c1 ZINC000002870722 570540718 /nfs/dbraw/zinc/54/07/18/570540718.db2.gz TVQODRIHYSLJCY-UHFFFAOYSA-N -1 0 353.447 3.879 50 0 FHAARM COc1cccc(-c2cc(C(=O)[O-])c3nc(-c4ccccc4)[nH]c3n2)c1O ZINC000011694708 570548599 /nfs/dbraw/zinc/54/85/99/570548599.db2.gz RLHRVOXNHGAWHK-UHFFFAOYSA-N -1 0 361.357 3.704 50 0 FHAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000003186063 570553945 /nfs/dbraw/zinc/55/39/45/570553945.db2.gz RXJZUNUPHJTJNO-UHFFFAOYSA-N -1 0 359.375 3.500 50 0 FHAARM O=C([O-])[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl)c1ccc(F)cc1 ZINC000262808600 570624564 /nfs/dbraw/zinc/62/45/64/570624564.db2.gz DFLYOLMMAJLXLT-ARFHVFGLSA-N -1 0 361.800 3.567 50 0 FHAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000005260054 570641032 /nfs/dbraw/zinc/64/10/32/570641032.db2.gz 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570866897 /nfs/dbraw/zinc/86/68/97/570866897.db2.gz XRSQRDSDQSZHAD-UHFFFAOYSA-N -1 0 362.451 3.501 50 0 FHAARM Cc1nn(C)cc1Cn1c(=O)c2cc(-c3ccccc3)sc2[n-]c1=S ZINC000017075612 570867451 /nfs/dbraw/zinc/86/74/51/570867451.db2.gz UXBUBTBMTVEDEE-UHFFFAOYSA-N -1 0 368.487 3.878 50 0 FHAARM Cc1ccc(NC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CCC3)cc1 ZINC000017076260 570867712 /nfs/dbraw/zinc/86/77/12/570867712.db2.gz SGKOXYYSOMEUTR-UHFFFAOYSA-N -1 0 372.446 3.601 50 0 FHAARM O=C(CSc1nnc(-c2ccccc2)c(=O)[n-]1)Nc1cccc(Cl)c1 ZINC000018208801 570876602 /nfs/dbraw/zinc/87/66/02/570876602.db2.gz QZHLZTZPHOYPKG-UHFFFAOYSA-N -1 0 372.837 3.628 50 0 FHAARM CNC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000045800189 570911930 /nfs/dbraw/zinc/91/19/30/570911930.db2.gz FTYUGYGNGYSPLQ-UHFFFAOYSA-N -1 0 374.249 3.546 50 0 FHAARM Cc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)Nc1ccccc1F ZINC000022743853 570949303 /nfs/dbraw/zinc/94/93/03/570949303.db2.gz GTVHGVVRZLGTQZ-UHFFFAOYSA-N -1 0 362.426 3.674 50 0 FHAARM COc1cc([N-]S(=O)(=O)c2ccc(F)cc2C)c(OC)cc1Cl ZINC000022842736 570950931 /nfs/dbraw/zinc/95/09/31/570950931.db2.gz BVDXNLPSWKNRHQ-UHFFFAOYSA-N -1 0 359.806 3.606 50 0 FHAARM O=C(C[C@@H]1C=CCC1)Nc1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000023194736 570959252 /nfs/dbraw/zinc/95/92/52/570959252.db2.gz NFJPMFAYWNTATI-CYBMUJFWSA-N -1 0 362.476 3.844 50 0 FHAARM COc1cccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)cs2)c1 ZINC000049545687 570963695 /nfs/dbraw/zinc/96/36/95/570963695.db2.gz UOSTUNCOHHKJSH-UHFFFAOYSA-N -1 0 350.421 3.521 50 0 FHAARM Cc1ccc(S(=O)(=O)N(C)c2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000023990483 570969871 /nfs/dbraw/zinc/96/98/71/570969871.db2.gz YJMCOOLETWVLAF-UHFFFAOYSA-N -1 0 355.415 3.672 50 0 FHAARM O=C([O-])C1(CC(=O)Nc2cccc(CN3CCCC3=O)c2)CCCCCC1 ZINC000028901385 571035007 /nfs/dbraw/zinc/03/50/07/571035007.db2.gz QZWAPOOLYQGGCO-UHFFFAOYSA-N -1 0 372.465 3.563 50 0 FHAARM O=C([O-])c1ccccc1-c1nc2c3c4c(sc3ncn2n1)CCCC4 ZINC000001294145 571047882 /nfs/dbraw/zinc/04/78/82/571047882.db2.gz 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CCOc1ccc(-c2ccnc(COc3cccc(F)c3)n2)cc1C(=O)[O-] ZINC000071662433 571163244 /nfs/dbraw/zinc/16/32/44/571163244.db2.gz DQZRMHNOQRUSBH-UHFFFAOYSA-N -1 0 368.364 3.959 50 0 FHAARM COc1ccc(C(=O)N2CCC(Cc3ccccc3)(C(=O)[O-])CC2)cc1C ZINC000071736269 571164042 /nfs/dbraw/zinc/16/40/42/571164042.db2.gz AVZIUGYZFLJEEO-UHFFFAOYSA-N -1 0 367.445 3.553 50 0 FHAARM CN(Cc1cccc(Cl)c1)c1nccc(-c2cc(C(=O)[O-])ccn2)n1 ZINC000071755279 571165158 /nfs/dbraw/zinc/16/51/58/571165158.db2.gz FWSHWSAKVNQNBG-UHFFFAOYSA-N -1 0 354.797 3.527 50 0 FHAARM Cc1ccc(C(=O)CSc2nc3ccccc3c(C(=O)[O-])n2)c(C)c1 ZINC000000624726 571166166 /nfs/dbraw/zinc/16/61/66/571166166.db2.gz IZFDHXISBWTIQC-UHFFFAOYSA-N -1 0 352.415 3.920 50 0 FHAARM CC[C@H](C)Oc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000001225207 571176026 /nfs/dbraw/zinc/17/60/26/571176026.db2.gz MLFFJCKWKRJXAX-ZDUSSCGKSA-N -1 0 357.435 3.608 50 0 FHAARM O=C([O-])Cc1ccc(CN2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)cc1 ZINC000072168498 571177043 /nfs/dbraw/zinc/17/70/43/571177043.db2.gz 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O=c1nc(CSc2nnc(Nc3ccccc3)s2)[n-]c2ccsc21 ZINC000006619573 571237163 /nfs/dbraw/zinc/23/71/63/571237163.db2.gz SIZHKXIVFYMQOI-UHFFFAOYSA-N -1 0 373.488 3.872 50 0 FHAARM O=S(=O)([N-]c1ccc(F)cc1)c1cccnc1Nc1cccc(F)c1 ZINC000064757627 571241397 /nfs/dbraw/zinc/24/13/97/571241397.db2.gz DXZGZDSVSNVCLQ-UHFFFAOYSA-N -1 0 361.373 3.904 50 0 FHAARM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(-c2nnc(C3CC3)o2)s1 ZINC000064920190 571246455 /nfs/dbraw/zinc/24/64/55/571246455.db2.gz CCKILEIUHKZQQU-UHFFFAOYSA-N -1 0 365.411 3.615 50 0 FHAARM COc1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(C)cc3)c2C)cc1 ZINC000064947004 571247266 /nfs/dbraw/zinc/24/72/66/571247266.db2.gz YCULPGXYQURGLQ-UHFFFAOYSA-N -1 0 371.462 3.607 50 0 FHAARM CCCCN1C(=O)C(=Cc2ccc(-c3cccc(C(=O)[O-])c3)o2)NC1=S ZINC000002146123 571250427 /nfs/dbraw/zinc/25/04/27/571250427.db2.gz JYJBFUDEGPHJLB-PTNGSMBKSA-N -1 0 370.430 3.503 50 0 FHAARM CCc1nnc(-c2csc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)o1 ZINC000065098609 571253883 /nfs/dbraw/zinc/25/38/83/571253883.db2.gz 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O=C([O-])CC[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3F)s2)C1 ZINC000238021845 571277373 /nfs/dbraw/zinc/27/73/73/571277373.db2.gz UEHUQTZJIPJIIJ-GFCCVEGCSA-N -1 0 362.426 3.666 50 0 FHAARM O=C([O-])[C@@H]1CCCCC[C@H]1NC(=O)c1ccc(F)c(COCC2CC2)c1 ZINC000170672076 571284959 /nfs/dbraw/zinc/28/49/59/571284959.db2.gz PMYIJNDYAAONHY-SJLPKXTDSA-N -1 0 363.429 3.516 50 0 FHAARM COc1ccc(Cc2nnc(Nc3ccc(C(C)C)cc3)[n-]c2=O)cc1 ZINC000002718704 571340460 /nfs/dbraw/zinc/34/04/60/571340460.db2.gz CAATZJXESJQUMS-UHFFFAOYSA-N -1 0 350.422 3.631 50 0 FHAARM Cc1ccccc1Cn1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)cn1 ZINC000002765912 571340881 /nfs/dbraw/zinc/34/08/81/571340881.db2.gz RODBNESBGVKUEV-UHFFFAOYSA-N -1 0 361.854 3.694 50 0 FHAARM Cc1cccc(Cn2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)n2)c1 ZINC000002791642 571341029 /nfs/dbraw/zinc/34/10/29/571341029.db2.gz MURUGHZZJUAECD-UHFFFAOYSA-N -1 0 355.463 3.657 50 0 FHAARM CO[N-]C(=O)Cn1c2ccccc2nc1-c1cccc(Cl)c1Cl ZINC000057140121 571342348 /nfs/dbraw/zinc/34/23/48/571342348.db2.gz 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Cc1c(Cl)cccc1NC(=O)c1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000000991831 206852798 /nfs/dbraw/zinc/85/27/98/206852798.db2.gz SOZOSZGQNSNGLL-UHFFFAOYSA-N -1 0 360.797 3.704 50 0 FHAARM O=C([O-])c1c(Br)cc(Br)cc1Br ZINC000001689841 206892656 /nfs/dbraw/zinc/89/26/56/206892656.db2.gz GHVMJSHEGZYRQL-UHFFFAOYSA-N -1 0 358.811 3.672 50 0 FHAARM CC[C@@]1(C)Cc2c(sc3nc(SC)nc(SCC(=O)[O-])c32)CO1 ZINC000002226738 206906405 /nfs/dbraw/zinc/90/64/05/206906405.db2.gz XZLJJDFKHVRJKZ-HNNXBMFYSA-N -1 0 370.521 3.831 50 0 FHAARM O=S(=O)([N-]c1ccn(Cc2cccc3ccccc32)n1)c1cccs1 ZINC000002775010 206933360 /nfs/dbraw/zinc/93/33/60/206933360.db2.gz ZFSYKMJJBVSSMM-UHFFFAOYSA-N -1 0 369.471 3.947 50 0 FHAARM CCCCOc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000002895914 206943411 /nfs/dbraw/zinc/94/34/11/206943411.db2.gz FKZWQUHPZDEWOO-UHFFFAOYSA-N -1 0 357.435 3.610 50 0 FHAARM O=C([O-])CCn1c2ccccc2c2cc(I)ccc21 ZINC000002919784 206944877 /nfs/dbraw/zinc/94/48/77/206944877.db2.gz XYFVCHMBPBXPQV-UHFFFAOYSA-N -1 0 365.170 3.874 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CC[C@H](C)[C@H](NC(=O)NCC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000006934274 207178615 /nfs/dbraw/zinc/17/86/15/207178615.db2.gz DPGOGZVMWBVXAL-KXBFYZLASA-N -1 0 354.450 3.617 50 0 FHAARM O=S(=O)([N-]c1cccc(-c2nnc3n2CCCCC3)c1)c1cccs1 ZINC000007051588 207185812 /nfs/dbraw/zinc/18/58/12/207185812.db2.gz SSIGBGLSMQOBSU-UHFFFAOYSA-N -1 0 374.491 3.534 50 0 FHAARM Cc1noc(C)c1S(=O)(=O)[N-]c1nc2c(ccc3ccccc23)s1 ZINC000007505324 207197610 /nfs/dbraw/zinc/19/76/10/207197610.db2.gz YYYTUOKNMAJRKY-UHFFFAOYSA-N -1 0 359.432 3.855 50 0 FHAARM O=C([O-])c1ccc(-c2ccc(OS(=O)(=O)c3ccccc3F)cc2)cc1 ZINC000007988243 207215043 /nfs/dbraw/zinc/21/50/43/207215043.db2.gz ZABKSKVXPBTHFF-UHFFFAOYSA-N -1 0 372.373 3.959 50 0 FHAARM O=C([O-])CCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000008742661 207246488 /nfs/dbraw/zinc/24/64/88/207246488.db2.gz RDWXCYHUOMGOBL-UHFFFAOYSA-N -1 0 352.415 3.702 50 0 FHAARM CCOc1ccc(Nc2nnc(Cc3ccccc3Cl)c(=O)[n-]2)cc1 ZINC000009669152 207281555 /nfs/dbraw/zinc/28/15/55/207281555.db2.gz 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207369195 /nfs/dbraw/zinc/36/91/95/207369195.db2.gz JAECRSGGHKIPFZ-ZWKOTPCHSA-N -1 0 374.481 3.778 50 0 FHAARM CCOc1c(Br)cc(/C=C/C(=O)[O-])cc1Br ZINC000012394662 207370172 /nfs/dbraw/zinc/37/01/72/207370172.db2.gz QDJYPFIYKZTBIQ-ONEGZZNKSA-N -1 0 350.006 3.708 50 0 FHAARM CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000012536290 207387470 /nfs/dbraw/zinc/38/74/70/207387470.db2.gz PCTJRUGAWXMEML-UHFFFAOYSA-N -1 0 366.442 3.514 50 0 FHAARM O=S(=O)([N-]c1cccc2cccnc21)c1ccccc1OC(F)(F)F ZINC000012552412 207390475 /nfs/dbraw/zinc/39/04/75/207390475.db2.gz OQWIVYNOXDXJAX-UHFFFAOYSA-N -1 0 368.336 3.934 50 0 FHAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccccc1Cl)O[C@@H](C)C2 ZINC000012560642 207394675 /nfs/dbraw/zinc/39/46/75/207394675.db2.gz DNNVOADEHJRRIK-NSHDSACASA-N -1 0 367.854 3.863 50 0 FHAARM Cc1nc(-c2ccccc2F)sc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000020715618 207751261 /nfs/dbraw/zinc/75/12/61/207751261.db2.gz CSOMUKXYNYUYGQ-UHFFFAOYSA-N -1 0 370.405 3.886 50 0 FHAARM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000020733577 207752618 /nfs/dbraw/zinc/75/26/18/207752618.db2.gz QUDIDMHJKWADJR-LBPRGKRZSA-N -1 0 352.843 3.611 50 0 FHAARM COc1ccccc1Nc1c(-c2ccc(C(=O)[O-])cc2)nc2cnccn21 ZINC000035616240 208132012 /nfs/dbraw/zinc/13/20/12/208132012.db2.gz CCZKVVWWDPSINU-UHFFFAOYSA-N -1 0 360.373 3.847 50 0 FHAARM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)ccc1Br ZINC000037385890 208180518 /nfs/dbraw/zinc/18/05/18/208180518.db2.gz YYOUSGDONAUJBM-UHFFFAOYSA-N -1 0 361.648 3.607 50 0 FHAARM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(F)F)c1 ZINC000075582005 208197221 /nfs/dbraw/zinc/19/72/21/208197221.db2.gz JHTZNTIRJFUNEV-UHFFFAOYSA-N -1 0 359.325 3.571 50 0 FHAARM COC(=O)c1cc(=O)c2c([n-]1)c(Br)ccc2C(F)(F)F ZINC000038537242 208203530 /nfs/dbraw/zinc/20/35/30/208203530.db2.gz OPEUYXHXFXICBM-UHFFFAOYSA-N -1 0 350.090 3.508 50 0 FHAARM Cc1nc(-c2ccccc2Cl)sc1C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000040267871 208245288 /nfs/dbraw/zinc/24/52/88/208245288.db2.gz 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CC(C)c1ccc2cc(C(=O)N3Cc4ccccc4C[C@H]3C(=O)[O-])[nH]c2c1 ZINC000095969904 209091433 /nfs/dbraw/zinc/09/14/33/209091433.db2.gz DXYIUEOHUZDARB-FQEVSTJZSA-N -1 0 362.429 3.943 50 0 FHAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3cnc4c(c3)CCCC4)C2)c1 ZINC000095361945 209028901 /nfs/dbraw/zinc/02/89/01/209028901.db2.gz NICQXUQENIWUIB-SFHVURJKSA-N -1 0 364.445 3.678 50 0 FHAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3ccc(F)c(F)c3F)C2)c1 ZINC000095390672 209045484 /nfs/dbraw/zinc/04/54/84/209045484.db2.gz QTDQDORKQGXMMI-ZDUSSCGKSA-N -1 0 363.335 3.822 50 0 FHAARM O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc([O-])c(Cl)c1 ZINC000095367629 209032356 /nfs/dbraw/zinc/03/23/56/209032356.db2.gz IJRHSBXTEVHJLV-GOSISDBHSA-N -1 0 359.809 3.698 50 0 FHAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3ccc(F)c(F)c3F)C2)c1 ZINC000095390671 209046433 /nfs/dbraw/zinc/04/64/33/209046433.db2.gz QTDQDORKQGXMMI-CYBMUJFWSA-N -1 0 363.335 3.822 50 0 FHAARM O=C(CCCc1nc2ccccc2s1)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000095425546 209049360 /nfs/dbraw/zinc/04/93/60/209049360.db2.gz WYPBTZDVJXKYNP-OAHLLOKOSA-N -1 0 368.458 3.604 50 0 FHAARM O=C([O-])c1ccc(-n2ncc3c2NC(=O)CS[C@H]3c2ccccc2)cc1 ZINC000095475682 209057125 /nfs/dbraw/zinc/05/71/25/209057125.db2.gz CKDAXPCMRQWJHP-KRWDZBQOSA-N -1 0 365.414 3.995 50 0 FHAARM CN(C(=O)c1csc(Cc2ccccc2)n1)[C@@H](C(=O)[O-])c1cccs1 ZINC000095506781 209064489 /nfs/dbraw/zinc/06/44/89/209064489.db2.gz XTJWHEYZMABWNX-MRXNPFEDSA-N -1 0 372.471 3.693 50 0 FHAARM O=C([O-])c1ccc(-c2ccccc2)nc1N1CCC[C@@H](Cn2ccnc2)C1 ZINC000096130829 132219740 /nfs/dbraw/zinc/21/97/40/132219740.db2.gz IOXNWZFABVBOFR-INIZCTEOSA-N -1 0 362.433 3.560 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(N3CCCCC3=O)c2)s1 ZINC000005330149 132257178 /nfs/dbraw/zinc/25/71/78/132257178.db2.gz SRSAAKOLMFTKDG-UHFFFAOYSA-N -1 0 364.492 3.683 50 0 FHAARM O=C([O-])C1=CC=C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000002583142 263145321 /nfs/dbraw/zinc/14/53/21/263145321.db2.gz CAJPYTWWPGMENX-HNNXBMFYSA-N -1 0 361.397 3.865 50 0 FHAARM Cc1ccc(NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)cc1C ZINC000002971870 263327495 /nfs/dbraw/zinc/32/74/95/263327495.db2.gz HJDYIENPPPMHIQ-UHFFFAOYSA-N -1 0 353.447 3.705 50 0 FHAARM CCCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000010287752 263364333 /nfs/dbraw/zinc/36/43/33/263364333.db2.gz ONOZRHXVKGSYJW-OLZOCXBDSA-N -1 0 366.845 3.908 50 0 FHAARM O=C([O-])C[C@H](Cc1ccc(Br)cc1)C(=O)Nc1ccccc1 ZINC000000831974 568357255 /nfs/dbraw/zinc/35/72/55/568357255.db2.gz MOKRHEYDUQGCHH-ZDUSSCGKSA-N -1 0 362.223 3.721 50 0 FHAARM Cc1cc(NCc2noc(C3CCCC3)n2)nc(-c2ccccc2[O-])n1 ZINC000091781028 570439015 /nfs/dbraw/zinc/43/90/15/570439015.db2.gz DESFNIMGNXNRDM-UHFFFAOYSA-N -1 0 351.410 3.810 50 0 FHAARM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000000665536 570445441 /nfs/dbraw/zinc/44/54/41/570445441.db2.gz MUAHEPMDOUNNTN-UHFFFAOYSA-N -1 0 360.254 3.514 50 0 FHAARM O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000870318 570462471 /nfs/dbraw/zinc/46/24/71/570462471.db2.gz 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ZINC000408518501 570565260 /nfs/dbraw/zinc/56/52/60/570565260.db2.gz KXTSOBFOMVGVDQ-UHFFFAOYSA-N -1 0 356.447 3.721 50 0 FHAARM CC[C@H](C)Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000005017264 570575532 /nfs/dbraw/zinc/57/55/32/570575532.db2.gz MBXQHRTUEPURHQ-ZDUSSCGKSA-N -1 0 356.451 3.641 50 0 FHAARM COc1ccc(N[C@@H](C)c2ccc(F)c(F)c2)cc1NS(C)(=O)=O ZINC000078671627 570633685 /nfs/dbraw/zinc/63/36/85/570633685.db2.gz DJNSFDUNUSILQA-JTQLQIEISA-N -1 0 356.394 3.518 50 0 FHAARM O=S(=O)([N-]c1cnn(Cc2ccccc2F)c1)c1ccc(Cl)cc1 ZINC000002782314 570671279 /nfs/dbraw/zinc/67/12/79/570671279.db2.gz IPHCGDMWADMUOG-UHFFFAOYSA-N -1 0 365.817 3.525 50 0 FHAARM Cc1sc(NC(=O)CCC(=O)[O-])c(C(N)=O)c1-c1ccc(C(C)C)cc1 ZINC000002777457 570672924 /nfs/dbraw/zinc/67/29/24/570672924.db2.gz RYCHQYFYUYUXLN-UHFFFAOYSA-N -1 0 374.462 3.749 50 0 FHAARM COc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)s3)sc2c1 ZINC000008864756 570686331 /nfs/dbraw/zinc/68/63/31/570686331.db2.gz LEQYALRLTWKGIY-UHFFFAOYSA-N -1 0 360.869 3.821 50 0 FHAARM [O-]c1c([C@@H](c2ccco2)N2CCCC2)sc2nc(-c3ccco3)nn12 ZINC000022852595 570694667 /nfs/dbraw/zinc/69/46/67/570694667.db2.gz OTXMSQHUESLPNB-CYBMUJFWSA-N -1 0 356.407 3.535 50 0 FHAARM CN(C[C@H](Cc1cccc(Br)c1)C(=O)[O-])C(=O)OC(C)(C)C ZINC000012648629 570755598 /nfs/dbraw/zinc/75/55/98/570755598.db2.gz MSPPAKCVWBPMPP-LBPRGKRZSA-N -1 0 372.259 3.559 50 0 FHAARM Nc1c(Cl)cc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1Cl ZINC000012995204 570771282 /nfs/dbraw/zinc/77/12/82/570771282.db2.gz ORTFCVPUTBFHOM-UHFFFAOYSA-N -1 0 353.177 3.655 50 0 FHAARM Cc1cccc(-c2nc(CC(=O)NCc3ccc(C(=O)[O-])cc3)cs2)c1 ZINC000012992865 570771311 /nfs/dbraw/zinc/77/13/11/570771311.db2.gz UOFPMYSTVCQKAB-UHFFFAOYSA-N -1 0 366.442 3.676 50 0 FHAARM COc1ccccc1NC(=O)CCSc1nnc(-c2ccc(O)cc2)o1 ZINC000013125526 570773861 /nfs/dbraw/zinc/77/38/61/570773861.db2.gz KQEPPFTWQCUNID-UHFFFAOYSA-N -1 0 371.418 3.572 50 0 FHAARM CCc1cc2c(ncn([N-]C(=O)c3cc4cc(Cl)ccc4o3)c2=O)s1 ZINC000014166332 570809447 /nfs/dbraw/zinc/80/94/47/570809447.db2.gz 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ZINC000023390758 570962604 /nfs/dbraw/zinc/96/26/04/570962604.db2.gz KRCBTJFHMJKCMK-UHFFFAOYSA-N -1 0 359.325 3.589 50 0 FHAARM Cn1ncc2c1NC(=O)C[C@H]2c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000049548066 570963977 /nfs/dbraw/zinc/96/39/77/570963977.db2.gz ZARDZPYPQRCEAV-SNVBAGLBSA-N -1 0 371.780 3.506 50 0 FHAARM Cc1ccc([N-]S(=O)(=O)c2cccc(Br)c2Cl)nc1 ZINC000225399387 571033141 /nfs/dbraw/zinc/03/31/41/571033141.db2.gz BKNABXAMAABDQL-UHFFFAOYSA-N -1 0 361.648 3.607 50 0 FHAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)ccc2C)c1C ZINC000008508584 571048971 /nfs/dbraw/zinc/04/89/71/571048971.db2.gz MSTGOALKMQQMBR-UHFFFAOYSA-N -1 0 353.827 3.764 50 0 FHAARM C[C@H]1CCc2nc(NC(=O)C[C@@H](CC(=O)[O-])c3cccs3)sc2C1 ZINC000223111033 571049029 /nfs/dbraw/zinc/04/90/29/571049029.db2.gz XCKGYPDIRDRVHH-QWRGUYRKSA-N -1 0 364.492 3.917 50 0 FHAARM COc1ccc(Cn2c(=O)c3sc4ncccc4c3[n-]c2=S)cc1 ZINC000100020964 571069238 /nfs/dbraw/zinc/06/92/38/571069238.db2.gz KPWZRWSIEGXQFQ-UHFFFAOYSA-N -1 0 355.444 3.726 50 0 FHAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2O)cc1Br ZINC000230515082 571096037 /nfs/dbraw/zinc/09/60/37/571096037.db2.gz SETUKHRHFZLYFG-UHFFFAOYSA-N -1 0 356.241 3.572 50 0 FHAARM O=C([O-])[C@H](CC(F)F)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000044831627 571102297 /nfs/dbraw/zinc/10/22/97/571102297.db2.gz AYIZPDXXYIFMQC-INIZCTEOSA-N -1 0 361.344 3.634 50 0 FHAARM CCn1nc([N-]S(=O)(=O)c2ccc(C)cc2)c2cc3ccccc3nc21 ZINC000009358398 571106156 /nfs/dbraw/zinc/10/61/56/571106156.db2.gz LIBIOUFRJOEOOM-UHFFFAOYSA-N -1 0 366.446 3.714 50 0 FHAARM Cc1cc(Br)c(S(=O)(=O)[N-]c2cccnc2)cc1Cl ZINC000054363171 571114263 /nfs/dbraw/zinc/11/42/63/571114263.db2.gz KKLCMUGYUSXIKZ-UHFFFAOYSA-N -1 0 361.648 3.607 50 0 FHAARM O=S(=O)([N-]C1(c2ccc(Cl)cc2)CCC1)c1c(F)cccc1F ZINC000057993298 571123577 /nfs/dbraw/zinc/12/35/77/571123577.db2.gz UTHQKOBKUBHSST-UHFFFAOYSA-N -1 0 357.809 3.976 50 0 FHAARM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000263154502 571125098 /nfs/dbraw/zinc/12/50/98/571125098.db2.gz 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Cc1cc(N2Cc3cnc(CC(C)C)nc3C2)nc(-c2ccccc2[O-])n1 ZINC000067817184 571150052 /nfs/dbraw/zinc/15/00/52/571150052.db2.gz COPCYZLPVMBONX-UHFFFAOYSA-N -1 0 361.449 3.666 50 0 FHAARM O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC000075286625 571159730 /nfs/dbraw/zinc/15/97/30/571159730.db2.gz CEGFSOVJYHYSSM-JLHYYAGUSA-N -1 0 353.399 3.738 50 0 FHAARM CCc1nn2c(nccc2-c2c([O-])cc(C)oc2=O)c1-c1ccc(F)cc1 ZINC000071385236 571160975 /nfs/dbraw/zinc/16/09/75/571160975.db2.gz MWUMTVUUTKGCTO-UHFFFAOYSA-N -1 0 365.364 3.732 50 0 FHAARM CC(=O)N1[C@H](c2c(C)[n-]n(-c3ccccc3)c2=O)CCN1c1ccccc1 ZINC000137111216 571168176 /nfs/dbraw/zinc/16/81/76/571168176.db2.gz PRENDEQIURVRBL-IBGZPJMESA-N -1 0 362.433 3.601 50 0 FHAARM CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(OCC)cc2)cc1 ZINC000003623693 571186079 /nfs/dbraw/zinc/18/60/79/571186079.db2.gz WFKKZAHRCGCMFC-IBGZPJMESA-N -1 0 371.433 3.820 50 0 FHAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@@H](C)c2ccccc2)cc1 ZINC000003624696 571186224 /nfs/dbraw/zinc/18/62/24/571186224.db2.gz KLTPKDWETZFLCT-DNVCBOLYSA-N -1 0 355.434 3.911 50 0 FHAARM CCOc1ccc(NC(=O)C[C@H](Cc2cc(C)cc(C)c2)C(=O)[O-])cc1 ZINC000003902921 571189112 /nfs/dbraw/zinc/18/91/12/571189112.db2.gz HBSVOULBHMSHKC-KRWDZBQOSA-N -1 0 355.434 3.974 50 0 FHAARM CCOc1ccc(OCC)c(S(=O)(=O)[N-]c2cnc3ccccc3c2)c1 ZINC000072414300 571192286 /nfs/dbraw/zinc/19/22/86/571192286.db2.gz RMDTUNBEUZTGES-UHFFFAOYSA-N -1 0 372.446 3.833 50 0 FHAARM CCCOc1ccc(CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)cc1 ZINC000053949991 571193936 /nfs/dbraw/zinc/19/39/36/571193936.db2.gz QDGGYDSLRIQDOE-UHFFFAOYSA-N -1 0 369.446 3.717 50 0 FHAARM O=C([O-])c1ccc(C=NNC(=O)COc2ccccc2-c2ccccc2)cc1 ZINC000252457652 571201892 /nfs/dbraw/zinc/20/18/92/571201892.db2.gz ZTRJIIZRDMRKIE-UHFFFAOYSA-N -1 0 374.396 3.581 50 0 FHAARM O=C([O-])c1ccccc1NC(=O)c1ccc(COCC(F)(F)F)cc1 ZINC000521394001 571204967 /nfs/dbraw/zinc/20/49/67/571204967.db2.gz UPQMLJBAUZXBTG-UHFFFAOYSA-N -1 0 353.296 3.716 50 0 FHAARM CCCCN(C)c1ccc(NC(=O)COc2ccccc2)c(C(=O)[O-])c1 ZINC000064589140 571211677 /nfs/dbraw/zinc/21/16/77/571211677.db2.gz ZYBMLDXQJYKJOM-UHFFFAOYSA-N -1 0 356.422 3.639 50 0 FHAARM O=C([O-])CN1C(=O)/C(=C/c2sc3ccccc3c2Cl)SC1=S ZINC000071841857 571226993 /nfs/dbraw/zinc/22/69/93/571226993.db2.gz ZJJRZLLMNWSCOT-YHYXMXQVSA-N -1 0 369.876 3.841 50 0 FHAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(C)nc3cc(Cl)ccc32)C1 ZINC000091411724 571239403 /nfs/dbraw/zinc/23/94/03/571239403.db2.gz IYKGKHUNTBYYGO-LJQANCHMSA-N -1 0 360.841 3.914 50 0 FHAARM O=S(=O)([N-]c1ccc(F)cc1)c1cccnc1Nc1ccc(F)cc1 ZINC000064757628 571241281 /nfs/dbraw/zinc/24/12/81/571241281.db2.gz VQKHILFRZYFJQA-UHFFFAOYSA-N -1 0 361.373 3.904 50 0 FHAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc3occc3c2)C[C@H]1c1cccc(F)c1 ZINC000091650898 571241822 /nfs/dbraw/zinc/24/18/22/571241822.db2.gz XTWQJVIECWBQBE-DLBZAZTESA-N -1 0 353.349 3.512 50 0 FHAARM C[C@@H](Oc1ccc(-c2cc(C(F)(F)F)cnc2N(C)C)cc1)C(=O)[O-] ZINC000091695564 571242510 /nfs/dbraw/zinc/24/25/10/571242510.db2.gz AVVGOXGPSAAELM-SNVBAGLBSA-N -1 0 354.328 3.685 50 0 FHAARM Cc1nn(-c2ccc(Cl)cc2)c(C)c1S(=O)(=O)[N-]c1ccccc1 ZINC000064947323 571247333 /nfs/dbraw/zinc/24/73/33/571247333.db2.gz ZIDVDQJVCUKLMM-UHFFFAOYSA-N -1 0 361.854 3.943 50 0 FHAARM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C)o3)s2)cc1 ZINC000065003734 571250098 /nfs/dbraw/zinc/25/00/98/571250098.db2.gz KEHPIIPWYLXTPG-UHFFFAOYSA-N -1 0 362.432 3.715 50 0 FHAARM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1ccc(-c2ccno2)s1 ZINC000065031153 571250921 /nfs/dbraw/zinc/25/09/21/571250921.db2.gz FZQMDLDUZLSHTH-UHFFFAOYSA-N -1 0 358.803 3.996 50 0 FHAARM CCn1nccc1-c1csc(S(=O)(=O)[N-]c2cc(F)ccc2C)c1 ZINC000065112446 571254414 /nfs/dbraw/zinc/25/44/14/571254414.db2.gz SZOJADPICHLSGI-UHFFFAOYSA-N -1 0 365.455 3.880 50 0 FHAARM Cc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000065183855 571256003 /nfs/dbraw/zinc/25/60/03/571256003.db2.gz HDJGWVVAJWHXGD-UHFFFAOYSA-N -1 0 364.496 3.640 50 0 FHAARM COc1ccccc1[N-]S(=O)(=O)c1c(C(C)C)nc2sc(C)cn21 ZINC000065183555 571256009 /nfs/dbraw/zinc/25/60/09/571256009.db2.gz PONPWOWXNLIHIR-UHFFFAOYSA-N -1 0 365.480 3.637 50 0 FHAARM CCc1ccccc1[N-]S(=O)(=O)c1c(C)nc2sc(C(C)C)nn21 ZINC000065183838 571256045 /nfs/dbraw/zinc/25/60/45/571256045.db2.gz MKHPXMUUSCFLFI-UHFFFAOYSA-N -1 0 364.496 3.586 50 0 FHAARM CCN(C(C)=O)c1nc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)cs1 ZINC000013272814 571270579 /nfs/dbraw/zinc/27/05/79/571270579.db2.gz WKYHQOLUOOKWGG-CMDGGOBGSA-N -1 0 367.430 3.933 50 0 FHAARM Cc1c2ccc(OCc3cccc(F)c3)cc2oc(=O)c1CCC(=O)[O-] ZINC000002093855 571276847 /nfs/dbraw/zinc/27/68/47/571276847.db2.gz KBOOKDQRFNJQTK-UHFFFAOYSA-N -1 0 356.349 3.837 50 0 biogenic FHAARM Cc1c(OCc2ccc(F)cc2F)ccc2c(C)c(CC(=O)[O-])c(=O)oc12 ZINC000002147498 571280792 /nfs/dbraw/zinc/28/07/92/571280792.db2.gz OMCJNUIXCIVXHH-UHFFFAOYSA-N -1 0 374.339 3.894 50 0 biogenic FHAARM C[C@@H](C(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257356545 571311635 /nfs/dbraw/zinc/31/16/35/571311635.db2.gz IXDBAXFCCXETKU-UVSMSBIRSA-N -1 0 364.526 3.698 50 0 FHAARM CC(C)CNC(=O)c1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1Cl ZINC000055150977 571320904 /nfs/dbraw/zinc/32/09/04/571320904.db2.gz NRNNOAJYEJDRDQ-UHFFFAOYSA-N -1 0 368.861 3.555 50 0 FHAARM O=C([O-])c1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCC2)cc1 ZINC000079474963 571327439 /nfs/dbraw/zinc/32/74/39/571327439.db2.gz FBCSWRXHESYFQX-HNNXBMFYSA-N -1 0 373.434 3.826 50 0 FHAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)c2)no1 ZINC000021701860 571335573 /nfs/dbraw/zinc/33/55/73/571335573.db2.gz ONVWLEHMRODCAB-UHFFFAOYSA-N -1 0 373.818 3.700 50 0 FHAARM O=S(=O)([N-]c1cccc(Br)c1)c1cccc2cccnc21 ZINC000002503262 571337618 /nfs/dbraw/zinc/33/76/18/571337618.db2.gz SLIJPYJRSGHUPV-UHFFFAOYSA-N -1 0 363.236 3.798 50 0 FHAARM COc1cccc(Nc2nnc(-c3cc4ccc([O-])cc4oc3=O)s2)c1 ZINC000002956113 571342962 /nfs/dbraw/zinc/34/29/62/571342962.db2.gz BJBZHTMGIGGEJP-UHFFFAOYSA-N -1 0 367.386 3.769 50 0 biogenic FHAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c1 ZINC000003291522 571346758 /nfs/dbraw/zinc/34/67/58/571346758.db2.gz NFFFXPZENJBKRP-UHFFFAOYSA-N -1 0 353.399 3.853 50 0 FHAARM CCCCCn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2[n-]c1=S ZINC000003630063 571351770 /nfs/dbraw/zinc/35/17/70/571351770.db2.gz NIZUDTXTHJSOHC-UHFFFAOYSA-N -1 0 373.522 3.938 50 0 FHAARM O=C([O-])c1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(Cl)coc4c32)cc1 ZINC000218116023 571352381 /nfs/dbraw/zinc/35/23/81/571352381.db2.gz MFVOQJHWLDBUOY-GFCCVEGCSA-N -1 0 370.744 3.586 50 0 FHAARM O=S(=O)([N-]c1cccc(Br)c1)c1ccc(Cl)s1 ZINC000003907374 571353141 /nfs/dbraw/zinc/35/31/41/571353141.db2.gz OBJVBGDCPYMDHC-UHFFFAOYSA-N -1 0 352.662 3.965 50 0 FHAARM O=S(=O)([N-]c1ccc(N2CCCCC2)cn1)c1ccc(F)cc1Cl ZINC000116601589 927695795 /nfs/dbraw/zinc/69/57/95/927695795.db2.gz MEAORFMZFDXFTB-UHFFFAOYSA-N -1 0 369.849 3.665 50 0 FHAARM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cn2)c(C)s1 ZINC000116601586 927696087 /nfs/dbraw/zinc/69/60/87/927696087.db2.gz SSSIIGMTOGCXLK-UHFFFAOYSA-N -1 0 351.497 3.551 50 0 FHAARM CCc1cc2c(=O)cc(-c3nc(C)cs3)oc2cc1O[C@H](C)C(=O)[O-] ZINC000022782290 934591065 /nfs/dbraw/zinc/59/10/65/934591065.db2.gz BZPPUCFBJMXVOT-SNVBAGLBSA-N -1 0 359.403 3.639 50 0 FHAARM O=C([O-])[C@@H](NC(=O)/C=C\c1cccc(Cl)c1Cl)c1ccccc1 ZINC000320068255 948340791 /nfs/dbraw/zinc/34/07/91/948340791.db2.gz UJCMGRZSMRJILX-YDZSZYSISA-N -1 0 350.201 3.949 50 0 FHAARM C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OS(=O)(=O)[O-])CC[C@@]43C)[C@H]1CCC2=O ZINC000247634462 209914175 /nfs/dbraw/zinc/91/41/75/209914175.db2.gz CZWCKYRVOZZJNM-BBNZPBLFSA-N -1 0 368.495 3.706 50 0 FHAARM Cc1cccc(N2C(=O)S/C(=C/c3ccc(OCC(=O)[O-])cc3)C2=O)c1 ZINC000097568037 209890984 /nfs/dbraw/zinc/89/09/84/209890984.db2.gz LKLQMPGWVZBHBF-MHWRWJLKSA-N -1 0 369.398 3.699 50 0 FHAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2cccnc2)c1=O ZINC000002291119 209395576 /nfs/dbraw/zinc/39/55/76/209395576.db2.gz BBUJMCUNWPBHIU-UHFFFAOYSA-N -1 0 351.406 3.545 50 0 FHAARM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000126841654 209364541 /nfs/dbraw/zinc/36/45/41/209364541.db2.gz KYKLAZYJEOVLDD-UHFFFAOYSA-N -1 0 360.357 3.988 50 0 FHAARM CC1(C)CC[C@H](CC(=O)NCc2nc(C(=O)[O-])cs2)c2ccccc21 ZINC000124293193 209363096 /nfs/dbraw/zinc/36/30/96/209363096.db2.gz PVLVXCQPUKYOBS-GFCCVEGCSA-N -1 0 358.463 3.703 50 0 FHAARM O=C([O-])CC[C@H]1CCCCN1C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000237983442 209358516 /nfs/dbraw/zinc/35/85/16/209358516.db2.gz OAYCIVJPKCVNPF-CQSZACIVSA-N -1 0 374.412 3.659 50 0 FHAARM CCC(C)(C)[C@@H]1CCCN1C(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000122170735 209358196 /nfs/dbraw/zinc/35/81/96/209358196.db2.gz ZAXPNKAQKDUDFK-INIZCTEOSA-N -1 0 373.522 3.503 50 0 FHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)CCCc2ncc(-c3ccccc3)o2)C1 ZINC000237956918 209356444 /nfs/dbraw/zinc/35/64/44/209356444.db2.gz OEOHBSIVVLDJJA-INIZCTEOSA-N -1 0 370.449 3.768 50 0 FHAARM Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237678344 209352615 /nfs/dbraw/zinc/35/26/15/209352615.db2.gz NKNKSJWPPYSQBB-UXHICEINSA-N -1 0 363.457 3.744 50 0 FHAARM COc1ccc([C@@H]2CCCN2C(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000237287924 209342838 /nfs/dbraw/zinc/34/28/38/209342838.db2.gz KODBYBMFDHOFEC-IBGZPJMESA-N -1 0 353.418 3.690 50 0 FHAARM Cc1cccc(C)c1NS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)[C@@H]2C ZINC000102592144 209238338 /nfs/dbraw/zinc/23/83/38/209238338.db2.gz JOOWMCLCJLEQLF-CQSZACIVSA-N -1 0 370.474 3.501 50 0 FHAARM Cc1ccc(Cc2c(C)nc3[n-]c(CNc4ccccc4C)nn3c2=O)cc1 ZINC000101803030 209230855 /nfs/dbraw/zinc/23/08/55/209230855.db2.gz QOTSTVQRLQTIEO-UHFFFAOYSA-N -1 0 373.460 3.546 50 0 FHAARM CCc1ccccc1NC(=O)CCc1c(C)[n-]n(-c2nc(C)cs2)c1=O ZINC000101832775 209231382 /nfs/dbraw/zinc/23/13/82/209231382.db2.gz XSPITNGXMVIDLX-UHFFFAOYSA-N -1 0 370.478 3.785 50 0 FHAARM CCCSc1n[n-]c2nc3c(c(=O)n12)[C@@](C)(CC)Cc1ccccc1-3 ZINC000100999723 209220753 /nfs/dbraw/zinc/22/07/53/209220753.db2.gz ZCNWZIOAMFYZHJ-IBGZPJMESA-N -1 0 354.479 3.811 50 0 FHAARM Cn1c(=O)c(C(=O)Nc2cccc(C(F)(F)F)c2)c([O-])c2ccccc21 ZINC000100327256 209212077 /nfs/dbraw/zinc/21/20/77/209212077.db2.gz KISFQVBUPVDCOH-UHFFFAOYSA-N -1 0 362.307 3.515 50 0 FHAARM O=C([O-])C[C@H](CNc1nccc(-c2ccccn2)n1)c1ccc(Cl)cc1 ZINC000097635099 209190122 /nfs/dbraw/zinc/19/01/22/209190122.db2.gz HFUHUMGKHUZABC-CQSZACIVSA-N -1 0 368.824 3.862 50 0 FHAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2F)cc1 ZINC000096171136 209130196 /nfs/dbraw/zinc/13/01/96/209130196.db2.gz IDKNEIXFJYSSQY-UHFFFAOYSA-N -1 0 374.231 3.788 50 0 FHAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1cccc(C)c1C ZINC000016202914 220180314 /nfs/dbraw/zinc/18/03/14/220180314.db2.gz XRUVCGWSVDNAOE-UHFFFAOYSA-N -1 0 367.424 3.801 50 0 FHAARM O=C(Nc1cccc(C(F)(F)F)c1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000006057983 206693545 /nfs/dbraw/zinc/69/35/45/206693545.db2.gz NNEYQQUPPZIBPI-UHFFFAOYSA-N -1 0 374.318 3.534 50 0 FHAARM Cc1ccc(/C=C\S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000096402057 206807322 /nfs/dbraw/zinc/80/73/22/206807322.db2.gz WKKRCJQGUDRAAK-HJWRWDBZSA-N -1 0 351.811 3.759 50 0 FHAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000001513546 206887049 /nfs/dbraw/zinc/88/70/49/206887049.db2.gz QVEDURKSSUBWSO-FQEVSTJZSA-N -1 0 359.425 3.631 50 0 FHAARM CC(C)(C)OC(=O)N1CCC[C@](Cc2ccc(Cl)cc2)(C(=O)[O-])C1 ZINC000002513080 206920570 /nfs/dbraw/zinc/92/05/70/206920570.db2.gz NFBWLXLJPIEKQE-GOSISDBHSA-N -1 0 353.846 3.984 50 0 FHAARM Cc1ccc(OCCn2c3ccccc3nc2SCCC(=O)[O-])cc1 ZINC000003877300 206993039 /nfs/dbraw/zinc/99/30/39/206993039.db2.gz KGCGDYADLNUQIH-UHFFFAOYSA-N -1 0 356.447 3.991 50 0 in-vitro FHAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cc(C(F)(F)F)ccc1Cl)C2=O ZINC000004524355 207025376 /nfs/dbraw/zinc/02/53/76/207025376.db2.gz VBLMASISAGJAGD-UHFFFAOYSA-N -1 0 369.682 3.858 50 0 FHAARM Cc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000004593117 207031355 /nfs/dbraw/zinc/03/13/55/207031355.db2.gz PEBGEUBUEAYNCP-UHFFFAOYSA-N -1 0 360.797 3.704 50 0 FHAARM CCOc1ccccc1-c1nnc(SCC(=O)[O-])n1-c1ccccc1 ZINC000004710659 207040894 /nfs/dbraw/zinc/04/08/94/207040894.db2.gz VAONXRIJSCIRRJ-UHFFFAOYSA-N -1 0 355.419 3.510 50 0 FHAARM Cc1ccc(Cl)cc1NC(=O)c1ccccc1NC(=O)CCC(=O)[O-] ZINC000004593118 207030630 /nfs/dbraw/zinc/03/06/30/207030630.db2.gz GDWHJOIQDGEOFI-UHFFFAOYSA-N -1 0 360.797 3.704 50 0 FHAARM COC(=O)c1c(C)oc2cc(C)c([N-]S(=O)(=O)c3cccs3)cc21 ZINC000004735755 207042716 /nfs/dbraw/zinc/04/27/16/207042716.db2.gz JVSFXYUPMYHSAL-UHFFFAOYSA-N -1 0 365.432 3.699 50 0 FHAARM O=C([O-])/C=C\C(=O)Nc1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1 ZINC000005123784 207081680 /nfs/dbraw/zinc/08/16/80/207081680.db2.gz VOADGBJCPGOHBE-KTKRTIGZSA-N -1 0 357.369 3.962 50 0 FHAARM CC1=N/C(=C\c2ccc(OC(C)C)cc2)C(=O)N1c1ccc(C(=O)[O-])cc1 ZINC000005343617 207094071 /nfs/dbraw/zinc/09/40/71/207094071.db2.gz OZLBXVWJFBUTBX-UNOMPAQXSA-N -1 0 364.401 3.978 50 0 FHAARM O=C([O-])C[C@]1(C(=O)NC2CCCCCC2)CC(/C=C/c2ccccc2)=NO1 ZINC000005451530 207101240 /nfs/dbraw/zinc/10/12/40/207101240.db2.gz NJNINVHNPLSWPV-IWGBCORSSA-N -1 0 370.449 3.529 50 0 FHAARM Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCCC(=O)[O-] ZINC000005721377 207113604 /nfs/dbraw/zinc/11/36/04/207113604.db2.gz IYWSHDGXQHABLQ-UHFFFAOYSA-N -1 0 354.233 3.919 50 0 FHAARM COC(=O)c1c2c(sc1[N-]S(=O)(=O)c1ccccc1)CCCCC2 ZINC000008377641 207230591 /nfs/dbraw/zinc/23/05/91/207230591.db2.gz ADBLSXPYXFBYAN-UHFFFAOYSA-N -1 0 365.476 3.604 50 0 FHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1C ZINC000008132513 207221038 /nfs/dbraw/zinc/22/10/38/207221038.db2.gz QGCZVMRHQAAXNG-UHFFFAOYSA-N -1 0 370.268 3.957 50 0 FHAARM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1ccccc1C ZINC000008132493 207221118 /nfs/dbraw/zinc/22/11/18/207221118.db2.gz XEWXHGNHESRLCM-UHFFFAOYSA-N -1 0 370.268 3.875 50 0 FHAARM Cc1nc(SCc2nc(=O)c3sccc3[n-]2)[nH]c1Cc1ccccc1 ZINC000008569047 207236755 /nfs/dbraw/zinc/23/67/55/207236755.db2.gz PLSGBXPJQAYCKI-UHFFFAOYSA-N -1 0 368.487 3.899 50 0 FHAARM CCc1nc2sc([C@H](c3ccco3)N3C[C@@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000036104877 207264123 /nfs/dbraw/zinc/26/41/23/207264123.db2.gz WEYKRRMZTFAVNK-HUBLWGQQSA-N -1 0 360.483 3.719 50 0 FHAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000009155746 207259307 /nfs/dbraw/zinc/25/93/07/207259307.db2.gz OXZPKRTURMMJII-UHFFFAOYSA-N -1 0 367.780 3.510 50 0 FHAARM CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000012138553 207340590 /nfs/dbraw/zinc/34/05/90/207340590.db2.gz WJBLVJDIXJAFBD-UHFFFAOYSA-N -1 0 368.433 3.899 50 0 FHAARM O=S(=O)([N-]c1ccccc1OCC(F)(F)F)c1cc(F)cc(F)c1 ZINC000012556967 207394464 /nfs/dbraw/zinc/39/44/64/207394464.db2.gz VCWHAIFGMHBPLH-UHFFFAOYSA-N -1 0 367.295 3.707 50 0 FHAARM CN(C[C@@H](Cc1cccc(Br)c1)C(=O)[O-])C(=O)OC(C)(C)C ZINC000012648627 207405763 /nfs/dbraw/zinc/40/57/63/207405763.db2.gz MSPPAKCVWBPMPP-GFCCVEGCSA-N -1 0 372.259 3.559 50 0 FHAARM COc1ccc(CNC(=O)c2ccc(OCCC(C)C)cc2)cc1C(=O)[O-] ZINC000012775467 207418154 /nfs/dbraw/zinc/41/81/54/207418154.db2.gz MDVHDPUTNOGRDW-UHFFFAOYSA-N -1 0 371.433 3.748 50 0 FHAARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000032895420 208052001 /nfs/dbraw/zinc/05/20/01/208052001.db2.gz WAPFDJKGKSNRBJ-UHFFFAOYSA-N -1 0 359.325 3.589 50 0 FHAARM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2cc(F)ccc2F)n1 ZINC000031535248 208013081 /nfs/dbraw/zinc/01/30/81/208013081.db2.gz FMAMDDSAWIILOU-UHFFFAOYSA-N -1 0 363.389 3.568 50 0 FHAARM Cc1nc(-c2ccccc2Cl)sc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000031864293 208019369 /nfs/dbraw/zinc/01/93/69/208019369.db2.gz JROYZBAHNVNWAY-LLVKDONJSA-N -1 0 364.854 3.709 50 0 FHAARM CC(C)(C)c1nc2cc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)ccc2o1 ZINC000032097486 208026273 /nfs/dbraw/zinc/02/62/73/208026273.db2.gz LUPIGFNACCYJRP-UHFFFAOYSA-N -1 0 374.418 3.624 50 0 FHAARM Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000032601645 208031944 /nfs/dbraw/zinc/03/19/44/208031944.db2.gz XHKCFLMTOQXWKH-UHFFFAOYSA-N -1 0 360.218 3.801 50 0 FHAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(OC)c(Cl)cc1OC ZINC000032603678 208032536 /nfs/dbraw/zinc/03/25/36/208032536.db2.gz PGYDZXFJASTIDC-UHFFFAOYSA-N -1 0 371.842 3.557 50 0 FHAARM COc1cc(OC)cc(-c2noc(-c3c[n-]c4ccc(C)cc4c3=O)n2)c1 ZINC000035592666 208133253 /nfs/dbraw/zinc/13/32/53/208133253.db2.gz WEQLAGXSUFQROC-UHFFFAOYSA-N -1 0 363.373 3.571 50 0 FHAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)cc1Cl ZINC000078938563 208208235 /nfs/dbraw/zinc/20/82/35/208208235.db2.gz DPCQSAFFVSNXGS-UHFFFAOYSA-N -1 0 364.181 3.632 50 0 FHAARM CCOc1ccccc1-c1nc(SCc2cccc(C(=O)[O-])c2)n[nH]1 ZINC000039369581 208210202 /nfs/dbraw/zinc/21/02/02/208210202.db2.gz LVUXPXZILQVCGP-UHFFFAOYSA-N -1 0 355.419 3.861 50 0 FHAARM O=C([O-])CC1(CNC(=O)Cn2ccc3ccc(Cl)cc32)CCCCC1 ZINC000040266933 208244226 /nfs/dbraw/zinc/24/42/26/208244226.db2.gz FBFPYPXDLZQOOI-UHFFFAOYSA-N -1 0 362.857 3.836 50 0 FHAARM CN(C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)c1ccccc1 ZINC000040142952 208236118 /nfs/dbraw/zinc/23/61/18/208236118.db2.gz CRXRNZFNPAJURX-UHFFFAOYSA-N -1 0 372.471 3.826 50 0 FHAARM CC(C)C[C@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc21)C(=O)[O-] ZINC000040310251 208246287 /nfs/dbraw/zinc/24/62/87/208246287.db2.gz JEQQZJHZNLUVDH-IBGZPJMESA-N -1 0 363.417 3.526 50 0 FHAARM O=C([O-])[C@@H]1CCCC[C@H]1CC(=O)c1ccccc1I ZINC000043879405 208310060 /nfs/dbraw/zinc/31/00/60/208310060.db2.gz ZPGHWWKTVPATLX-WDEREUQCSA-N -1 0 372.202 3.755 50 0 FHAARM CC(C)(C)c1nc2cc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)ccc2o1 ZINC000046303792 208363760 /nfs/dbraw/zinc/36/37/60/208363760.db2.gz VQYAUZQXXJKSOA-UHFFFAOYSA-N -1 0 374.418 3.624 50 0 FHAARM CN(C(=O)c1cccc(NC(=O)CC(C)(C)CC(=O)[O-])c1)c1ccccc1 ZINC000055150679 208467867 /nfs/dbraw/zinc/46/78/67/208467867.db2.gz QTGHPCQATFFZEV-UHFFFAOYSA-N -1 0 368.433 3.793 50 0 FHAARM Cc1ccc2nc(/C=C/c3cnc(N4CCCC4)nc3)cc(C(=O)[O-])c2c1 ZINC000058289685 208577852 /nfs/dbraw/zinc/57/78/52/208577852.db2.gz OYDYINKLGIFOJU-AATRIKPKSA-N -1 0 360.417 3.802 50 0 FHAARM CC(C)c1nnc(-c2ccc(S(=O)(=O)[N-]c3cc(F)cc(F)c3)o2)o1 ZINC000065246306 208652645 /nfs/dbraw/zinc/65/26/45/208652645.db2.gz ZGEQTRDERCFAHL-UHFFFAOYSA-N -1 0 369.349 3.532 50 0 FHAARM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)o2)c1 ZINC000065246328 208652355 /nfs/dbraw/zinc/65/23/55/208652355.db2.gz CAASGLYQWFCCCC-UHFFFAOYSA-N -1 0 359.407 3.625 50 0 FHAARM O=C([O-])c1cn(-c2ccc(Cl)cc2)c2c1NC(=O)C[C@@H]2C(F)(F)F ZINC000066091446 208694377 /nfs/dbraw/zinc/69/43/77/208694377.db2.gz BXWMNQSRWGRLMJ-JTQLQIEISA-N -1 0 358.703 3.817 50 0 FHAARM Cc1ccc(C(=O)N2CCC[C@H](Cc3ccc(C(=O)[O-])cc3)C2)cc1F ZINC000072143333 208808267 /nfs/dbraw/zinc/80/82/67/208808267.db2.gz AXPVQAPXHMEGLU-MRXNPFEDSA-N -1 0 355.409 3.927 50 0 FHAARM Cc1nc(C)c(S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)s1 ZINC000072313014 208831559 /nfs/dbraw/zinc/83/15/59/208831559.db2.gz HGRVEYABVSDMMA-UHFFFAOYSA-N -1 0 366.386 3.502 50 0 FHAARM CCc1c(C)scc1C(=O)N1C[C@@H](c2cccc(OC)c2)[C@H](C(=O)[O-])C1 ZINC000091594030 208982720 /nfs/dbraw/zinc/98/27/20/208982720.db2.gz KIBQNFFBGSLILX-DLBZAZTESA-N -1 0 373.474 3.568 50 0 FHAARM C[C@@H](Oc1cccc(-c2cc(C(F)(F)F)cnc2N(C)C)c1)C(=O)[O-] ZINC000091695551 208990899 /nfs/dbraw/zinc/99/08/99/208990899.db2.gz SSABSFNRIOLBOP-SNVBAGLBSA-N -1 0 354.328 3.685 50 0 FHAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(Cl)ccc2F)C[C@H]1c1ccc(F)cc1 ZINC000091807136 208997301 /nfs/dbraw/zinc/99/73/01/208997301.db2.gz QIECCUUXCPWRET-LSDHHAIUSA-N -1 0 365.763 3.559 50 0 FHAARM O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc(Br)c(F)c1 ZINC000095067863 209018820 /nfs/dbraw/zinc/01/88/20/209018820.db2.gz HSBGQMNAIAKTIM-UHFFFAOYSA-N -1 0 366.158 3.667 50 0 FHAARM Cn1cc(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)c2ccccc21 ZINC000095360266 209028065 /nfs/dbraw/zinc/02/80/65/209028065.db2.gz MCVAWAOBJFQIMD-KRWDZBQOSA-N -1 0 362.429 3.896 50 0 FHAARM Cn1cc(C(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)c2ccccc21 ZINC000095360267 209028194 /nfs/dbraw/zinc/02/81/94/209028194.db2.gz MCVAWAOBJFQIMD-QGZVFWFLSA-N -1 0 362.429 3.896 50 0 FHAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)C3(c4ccccc4F)CC3)C2)cc1 ZINC000095366787 209030652 /nfs/dbraw/zinc/03/06/52/209030652.db2.gz LWBYVWXCAHUNLQ-QGZVFWFLSA-N -1 0 367.420 3.962 50 0 FHAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)C3(c4ccccc4F)CC3)C2)cc1 ZINC000095366786 209030742 /nfs/dbraw/zinc/03/07/42/209030742.db2.gz LWBYVWXCAHUNLQ-KRWDZBQOSA-N -1 0 367.420 3.962 50 0 FHAARM C[C@H](Sc1ccccc1C(=O)NCc1cc2ccccc2o1)C(=O)[O-] ZINC000095424328 209048641 /nfs/dbraw/zinc/04/86/41/209048641.db2.gz APFHLHQRBQHEHL-LBPRGKRZSA-N -1 0 355.415 3.928 50 0 FHAARM O=C([O-])C1(Oc2cccc(F)c2)CCN(c2ncc(Cl)cc2F)CC1 ZINC000082098174 132194645 /nfs/dbraw/zinc/19/46/45/132194645.db2.gz AVARJNUDDYQAOC-UHFFFAOYSA-N -1 0 368.767 3.516 50 0 FHAARM Cc1ccc(-c2ccc(C(=O)[O-])c(N3CCC[C@@]4(CCOC4)C3)n2)s1 ZINC000095527467 132214924 /nfs/dbraw/zinc/21/49/24/132214924.db2.gz SMLCMGHQRZVKJX-LJQANCHMSA-N -1 0 358.463 3.824 50 0 FHAARM COc1ccccc1N1C(=O)c2ccccc2N[C@]1(C(=O)[O-])c1ccccc1 ZINC000001068882 132379898 /nfs/dbraw/zinc/37/98/98/132379898.db2.gz UYTUOMYZUMIHAB-JOCHJYFZSA-N -1 0 374.396 3.705 50 0 FHAARM Cc1cnc(C)nc1N1CCC[C@](Cc2cccc(Cl)c2)(C(=O)[O-])C1 ZINC000071763470 136140664 /nfs/dbraw/zinc/14/06/64/136140664.db2.gz FULAJAHXRBTVDG-LJQANCHMSA-N -1 0 359.857 3.661 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]C(=O)O[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000002217026 263144911 /nfs/dbraw/zinc/14/49/11/263144911.db2.gz GNGVGDGJZLEFRB-AWEZNQCLSA-N -1 0 373.352 3.714 50 0 FHAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccccc2C(C)(C)C)C[C@H]1C(=O)[O-] ZINC000042783172 263403699 /nfs/dbraw/zinc/40/36/99/263403699.db2.gz UCFQPSTUKYRWNU-ZFWWWQNUSA-N -1 0 363.454 3.826 50 0 FHAARM CCCC[C@H](CC)c1nnc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])s1 ZINC000239203203 521183196 /nfs/dbraw/zinc/18/31/96/521183196.db2.gz RYFGURUWIFMZAX-YNEHKIRRSA-N -1 0 351.472 3.827 50 0 FHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cc(C)[nH]n2)s1 ZINC000020991937 521553552 /nfs/dbraw/zinc/55/35/52/521553552.db2.gz NZHZGFJWRNTBMN-UHFFFAOYSA-N -1 0 363.464 3.646 50 0 FHAARM CC(C)(C)OC(=O)N1CCN(c2cccc3sc(C(=O)[O-])cc32)CC1 ZINC000261506886 534838803 /nfs/dbraw/zinc/83/88/03/534838803.db2.gz CBMTWQVOOWMNQX-UHFFFAOYSA-N -1 0 362.451 3.657 50 0 FHAARM COc1ccc(-c2csc3ncnc(N4CCC[C@@H](C(=O)[O-])C4)c23)cc1 ZINC000003391600 536501225 /nfs/dbraw/zinc/50/12/25/536501225.db2.gz IZDHALAILVWJKW-CYBMUJFWSA-N -1 0 369.446 3.668 50 0 FHAARM COc1ccc(NC(=O)[C@H](Cc2cc(C)cc(C)c2)[C@H](C)C(=O)[O-])cc1 ZINC000000727572 568144799 /nfs/dbraw/zinc/14/47/99/568144799.db2.gz LCTABTLCJSWZRG-HNAYVOBHSA-N -1 0 355.434 3.830 50 0 FHAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Br)cc1Cl ZINC000000641750 570443082 /nfs/dbraw/zinc/44/30/82/570443082.db2.gz CDTMBCYJIUSLRM-VHSXEESVSA-N -1 0 360.635 3.932 50 0 FHAARM Cc1cccc(OCCn2c3ccccc3nc2SCCC(=O)[O-])c1 ZINC000000857369 570461014 /nfs/dbraw/zinc/46/10/14/570461014.db2.gz ZWORVFKSQCRWEW-UHFFFAOYSA-N -1 0 356.447 3.991 50 0 FHAARM O=C([O-])[C@@H]1CS[C@@H](c2ccccc2Cl)N1C(=O)c1ccccc1F ZINC000000974396 570467027 /nfs/dbraw/zinc/46/70/27/570467027.db2.gz IHTFQSGSXXUYSH-HOCLYGCPSA-N -1 0 365.813 3.820 50 0 FHAARM COc1ccccc1OCCSc1nc2ccccc2n1CCC(=O)[O-] ZINC000002051990 570512359 /nfs/dbraw/zinc/51/23/59/570512359.db2.gz BLZLTIORMUDWPY-UHFFFAOYSA-N -1 0 372.446 3.691 50 0 FHAARM O=C([O-])C[C@@H](NCc1ccco1)C(=O)N(c1ccccc1)c1ccccc1 ZINC000002338538 570519168 /nfs/dbraw/zinc/51/91/68/570519168.db2.gz YWNOUTYJYKNIPA-LJQANCHMSA-N -1 0 364.401 3.577 50 0 FHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)n1 ZINC000002380860 570520483 /nfs/dbraw/zinc/52/04/83/570520483.db2.gz KCPHGKWWLSFSLU-UHFFFAOYSA-N -1 0 366.657 3.854 50 0 FHAARM CCc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O ZINC000004885023 570553831 /nfs/dbraw/zinc/55/38/31/570553831.db2.gz OSHOYZCMPASGQI-UHFFFAOYSA-N -1 0 372.490 3.657 50 0 FHAARM CCC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)ccc21 ZINC000004885041 570554011 /nfs/dbraw/zinc/55/40/11/570554011.db2.gz AKCJSSQUINKEPL-UHFFFAOYSA-N -1 0 372.490 3.793 50 0 FHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000408513859 570564043 /nfs/dbraw/zinc/56/40/43/570564043.db2.gz FONXIIVMVQKTGJ-RCBQFDQVSA-N -1 0 369.383 3.912 50 0 FHAARM O=C(NCc1ccc(OC(F)F)cn1)c1cc(Cl)c([O-])c(Cl)c1 ZINC000408514963 570564647 /nfs/dbraw/zinc/56/46/47/570564647.db2.gz XDJDAYOIKZSKOH-UHFFFAOYSA-N -1 0 363.147 3.625 50 0 FHAARM Cc1ccc(C(=O)N2[C@H](C(=O)[O-])CS[C@H]2c2ccccc2Cl)cc1 ZINC000003620468 570566666 /nfs/dbraw/zinc/56/66/66/570566666.db2.gz BDCKQLQRWJGVHI-RDJZCZTQSA-N -1 0 361.850 3.989 50 0 FHAARM Cc1cc(C)c(S(=O)(=O)[N-]c2nc(C(F)(F)F)cs2)c(C)c1 ZINC000004035962 570573544 /nfs/dbraw/zinc/57/35/44/570573544.db2.gz HCNPPABZVLZOSM-UHFFFAOYSA-N -1 0 350.387 3.888 50 0 FHAARM Cc1noc([C@@H]2CCCN2C(=O)c2ccc(-c3cccc(F)c3O)cc2)n1 ZINC000426602541 570617902 /nfs/dbraw/zinc/61/79/02/570617902.db2.gz QXGJIDUXNVVGGT-KRWDZBQOSA-N -1 0 367.380 3.867 50 0 FHAARM O=C(Nc1nccs1)c1cc(=O)c(OCc2ccc(Cl)cc2)c[nH]1 ZINC000061719528 570632470 /nfs/dbraw/zinc/63/24/70/570632470.db2.gz ZBMFGZGTXDEFRZ-UHFFFAOYSA-N -1 0 361.810 3.728 50 0 FHAARM Cc1ccc([C@H]2SC[C@H](C(=O)[O-])N2C(=O)c2ccc(Cl)cc2)cc1 ZINC000002758837 570671312 /nfs/dbraw/zinc/67/13/12/570671312.db2.gz MTLFXXMQWHBSAV-NVXWUHKLSA-N -1 0 361.850 3.989 50 0 FHAARM CCOC(=O)c1oc2cc([O-])ccc2c(=O)c1-c1nc2ccccc2s1 ZINC000005644661 570683810 /nfs/dbraw/zinc/68/38/10/570683810.db2.gz BGVROSSGJXWHMD-UHFFFAOYSA-N -1 0 367.382 3.952 50 0 biogenic FHAARM Cc1ccc([C@H]2CCN(C(=O)N=c3ncn(C4CCCCC4)[n-]3)C2)c(C)c1 ZINC000329960197 570689939 /nfs/dbraw/zinc/68/99/39/570689939.db2.gz QZGHAUVJJVRFEF-KRWDZBQOSA-N -1 0 367.497 3.843 50 0 FHAARM CCOc1ccc(/C=C(/NC(=O)c2ccccc2C)C(=O)[O-])cc1OCC ZINC000012660316 570755762 /nfs/dbraw/zinc/75/57/62/570755762.db2.gz GQYSHFJQFCELLN-SFQUDFHCSA-N -1 0 369.417 3.648 50 0 FHAARM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000004826124 570774926 /nfs/dbraw/zinc/77/49/26/570774926.db2.gz FMZSCRQOFUXXDX-GFCCVEGCSA-N -1 0 363.797 3.518 50 0 FHAARM COc1ccc(-c2cc(C(F)(F)F)n(-c3nc(C(=O)[O-])cs3)n2)cc1 ZINC000004477279 570793360 /nfs/dbraw/zinc/79/33/60/570793360.db2.gz SNRUUBGEISSOKC-UHFFFAOYSA-N -1 0 369.324 3.721 50 0 FHAARM COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1n[nH]c(-c2cccs2)n1 ZINC000014122713 570806983 /nfs/dbraw/zinc/80/69/83/570806983.db2.gz YSRONWHZKSINHO-LLVKDONJSA-N -1 0 374.491 3.970 50 0 FHAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccc(Cl)c(Cl)c1 ZINC000018263299 570815872 /nfs/dbraw/zinc/81/58/72/570815872.db2.gz ZVAZEIKKTADLOI-UHFFFAOYSA-N -1 0 374.245 3.722 50 0 FHAARM CC(C)CN(CC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000014632646 570821424 /nfs/dbraw/zinc/82/14/24/570821424.db2.gz AEQVNDSKGYFDSR-UHFFFAOYSA-N -1 0 353.418 3.978 50 0 FHAARM O=C([O-])c1cccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c1 ZINC000015008617 570828893 /nfs/dbraw/zinc/82/88/93/570828893.db2.gz FDWNZNSENMYWKF-OQLLNIDSSA-N -1 0 357.362 3.760 50 0 FHAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1Cl ZINC000014097656 570844670 /nfs/dbraw/zinc/84/46/70/570844670.db2.gz NLCYGWYPFINOJH-UHFFFAOYSA-N -1 0 365.263 3.814 50 0 FHAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000016478363 570857174 /nfs/dbraw/zinc/85/71/74/570857174.db2.gz RWUAYCBLGNFVSK-UHFFFAOYSA-N -1 0 370.453 3.501 50 0 FHAARM Cc1ccc(CS(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCC2)cc1 ZINC000016579733 570858135 /nfs/dbraw/zinc/85/81/35/570858135.db2.gz DDFIZWHHGMFBSP-UHFFFAOYSA-N -1 0 372.490 3.563 50 0 FHAARM CCOc1ccccc1NC(=O)CSc1nc(=O)c2sccc2[n-]1 ZINC000051317201 570864563 /nfs/dbraw/zinc/86/45/63/570864563.db2.gz IMKURAXVLPOUFY-UHFFFAOYSA-N -1 0 361.448 3.526 50 0 FHAARM O=c1c2ccc(F)cc2[n-]cc1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000021657579 570932339 /nfs/dbraw/zinc/93/23/39/570932339.db2.gz GOJRVSDUUATBET-UHFFFAOYSA-N -1 0 372.204 3.807 50 0 FHAARM O=c1nc(CN(Cc2ccco2)Cc2cccs2)[n-]c2ccsc21 ZINC000023865516 570968419 /nfs/dbraw/zinc/96/84/19/570968419.db2.gz ARJZOGZSHPYVCZ-UHFFFAOYSA-N -1 0 357.460 3.842 50 0 FHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000025209940 570991998 /nfs/dbraw/zinc/99/19/98/570991998.db2.gz KFAOUBUKXMLSPY-HUUCEWRRSA-N -1 0 370.430 3.606 50 0 FHAARM O=C([O-])CN(CC1CC1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000070915475 571048848 /nfs/dbraw/zinc/04/88/48/571048848.db2.gz FSOTYOXGANNJPU-UHFFFAOYSA-N -1 0 351.402 3.732 50 0 FHAARM CCCn1cnc2c1cc(C)c(C)c2[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000001388574 571056776 /nfs/dbraw/zinc/05/67/76/571056776.db2.gz VSBMSVMUGYAIOU-UHFFFAOYSA-N -1 0 373.478 3.873 50 0 FHAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1ccc(C)c(C)c1 ZINC000012746352 571066363 /nfs/dbraw/zinc/06/63/63/571066363.db2.gz ANMSWSNKOJJLEV-UHFFFAOYSA-N -1 0 367.424 3.801 50 0 FHAARM O=C([O-])C[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004801845 571072543 /nfs/dbraw/zinc/07/25/43/571072543.db2.gz KLZJLKMHOSJFHN-CYBMUJFWSA-N -1 0 351.324 3.978 50 0 FHAARM Cc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)n1 ZINC000012759997 571078674 /nfs/dbraw/zinc/07/86/74/571078674.db2.gz VFFDSZXOFXMMIK-UHFFFAOYSA-N -1 0 373.459 3.505 50 0 FHAARM COC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000040122754 571081275 /nfs/dbraw/zinc/08/12/75/571081275.db2.gz MGAAUDKKWHEGBQ-UHFFFAOYSA-N -1 0 353.827 3.544 50 0 FHAARM Cc1cc(C)c(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c(C)c1 ZINC000024981076 571086405 /nfs/dbraw/zinc/08/64/05/571086405.db2.gz AZJGCHJUXGMPTQ-SFHVURJKSA-N -1 0 350.418 3.519 50 0 FHAARM O=C([O-])c1cc2c(c(S(=O)(=O)Nc3cccc4ccccc43)c1)CCC2 ZINC000069420227 571098099 /nfs/dbraw/zinc/09/80/99/571098099.db2.gz JGLUCSLXIZKHHI-UHFFFAOYSA-N -1 0 367.426 3.828 50 0 FHAARM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cc2cc(Cl)ccc2o1 ZINC000069443595 571098186 /nfs/dbraw/zinc/09/81/86/571098186.db2.gz PWBZDDQNFZRKST-UHFFFAOYSA-N -1 0 355.737 3.682 50 0 FHAARM O=C([O-])[C@@]12C[C@@H](Nc3n[nH]c(-c4ccccc4)c31)c1cc(Cl)ccc1O2 ZINC000072332291 571123396 /nfs/dbraw/zinc/12/33/96/571123396.db2.gz IVWGGRKDTXMJIX-BFUOFWGJSA-N -1 0 367.792 3.959 50 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Cc1cc(C)cc(OCCSc2nc3ccccc3n2CC(=O)[O-])c1 ZINC000012627863 571209871 /nfs/dbraw/zinc/20/98/71/571209871.db2.gz ZLCZOVIJSQRIOM-UHFFFAOYSA-N -1 0 356.447 3.909 50 0 FHAARM CCc1nc2sc([C@H](c3ccco3)N3C[C@H](C)C[C@@H](C)C3)c([O-])n2n1 ZINC000016690140 571212667 /nfs/dbraw/zinc/21/26/67/571212667.db2.gz WEYKRRMZTFAVNK-JMSVASOKSA-N -1 0 360.483 3.719 50 0 FHAARM COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000064837442 571244134 /nfs/dbraw/zinc/24/41/34/571244134.db2.gz QXAPWPVUMQBBCB-UHFFFAOYSA-N -1 0 358.419 3.768 50 0 FHAARM CCc1nnc(-c2csc(S(=O)(=O)[N-]c3c(C)cccc3C)c2)o1 ZINC000065098626 571254039 /nfs/dbraw/zinc/25/40/39/571254039.db2.gz BINPHLGHESWACQ-UHFFFAOYSA-N -1 0 363.464 3.778 50 0 FHAARM CCCn1c2ccsc2c([O-])c(C(=O)Nc2ccc(C)c(F)c2)c1=O ZINC000065215483 571256787 /nfs/dbraw/zinc/25/67/87/571256787.db2.gz FDTXJQGGDXMMOH-UHFFFAOYSA-N -1 0 360.410 3.878 50 0 FHAARM CC(C)c1nnc(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)o2)o1 ZINC000065246303 571257606 /nfs/dbraw/zinc/25/76/06/571257606.db2.gz 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ZINC000606442127 596936626 /nfs/dbraw/zinc/93/66/26/596936626.db2.gz RXEWAIKWQQMDBH-RJRFIUFISA-N -1 0 361.747 3.695 50 0 FHAARM O=C([O-])c1ccnc(C(=O)N2CCCCC[C@H]2/C=C\c2ccccc2)c1 ZINC000584458545 938965510 /nfs/dbraw/zinc/96/55/10/938965510.db2.gz KSRQJJLASCBOBD-LENZSSGSSA-N -1 0 350.418 3.878 50 0 FHAARM O=S(=O)([N-]C[C@H](c1ccsc1)c1ccco1)c1c(F)cccc1F ZINC000675007653 943589104 /nfs/dbraw/zinc/58/91/04/943589104.db2.gz DHKLFPVRHJWLPN-GFCCVEGCSA-N -1 0 369.414 3.730 50 0 FHAARM COc1ccc(CN(C(=O)c2ccco2)c2ccccc2C(=O)[O-])cc1 ZINC000000704156 210262229 /nfs/dbraw/zinc/26/22/29/210262229.db2.gz UNXFEVINPWKWSR-UHFFFAOYSA-N -1 0 351.358 3.833 50 0 FHAARM O=c1nc([C@H]2COc3ccccc3O2)[n-]c2c(-c3ccccc3)nsc21 ZINC000170616548 222605666 /nfs/dbraw/zinc/60/56/66/222605666.db2.gz DZNXZMRBBBSEGT-CQSZACIVSA-N -1 0 363.398 3.559 50 0 FHAARM CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2OC)cc1 ZINC000000644520 210256737 /nfs/dbraw/zinc/25/67/37/210256737.db2.gz UBYVPVDTVMTKIM-UHFFFAOYSA-N -1 0 371.842 3.557 50 0 FHAARM Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc(C(=O)[O-])cc1 ZINC000096759110 210241337 /nfs/dbraw/zinc/24/13/37/210241337.db2.gz SKSRRBODYXZSSK-NTEUORMPSA-N -1 0 352.415 3.717 50 0 FHAARM COc1ccc([C@H](NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c2ccccc2)cc1 ZINC000244564019 210209660 /nfs/dbraw/zinc/20/96/60/210209660.db2.gz CLDXKPCFEJOELW-XUVXKRRUSA-N -1 0 365.429 3.568 50 0 FHAARM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCCCC1)c1ccc(-n2ccnc2)cc1 ZINC000013467151 210144682 /nfs/dbraw/zinc/14/46/82/210144682.db2.gz YAFIQGBNRSWQPW-MRXNPFEDSA-N -1 0 369.465 3.865 50 0 FHAARM O=S(=O)([N-]c1cnccc1N1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000328594047 210109255 /nfs/dbraw/zinc/10/92/55/210109255.db2.gz LHVSVCXUXGEORH-UHFFFAOYSA-N -1 0 371.384 3.501 50 0 FHAARM O=c1c2oc3ccccc3c2[n-]c(=S)n1Cc1ccc2c(c1)OCO2 ZINC000100021219 210081270 /nfs/dbraw/zinc/08/12/70/210081270.db2.gz XLIRIGQECHWHQK-UHFFFAOYSA-N -1 0 352.371 3.582 50 0 FHAARM O=C([O-])CC12CC3C[C@@](Br)(C1)C[C@](Br)(C3)C2 ZINC000000844852 219330279 /nfs/dbraw/zinc/33/02/79/219330279.db2.gz XXNSAMQEVRDCDN-JZOPBLKISA-N -1 0 352.066 3.713 50 0 FHAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)C1 ZINC000225430132 222840345 /nfs/dbraw/zinc/84/03/45/222840345.db2.gz YKQNNAOPCAUDMM-ILXRZTDVSA-N -1 0 370.474 3.669 50 0 FHAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002199262 219431471 /nfs/dbraw/zinc/43/14/71/219431471.db2.gz KFEUHBNBERYYSL-AWEZNQCLSA-N -1 0 352.312 3.523 50 0 FHAARM Cc1ccc(Oc2ccc(OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc2)cc1 ZINC000003207908 219492591 /nfs/dbraw/zinc/49/25/91/219492591.db2.gz JBHPJQWYPKWYFT-IBGZPJMESA-N -1 0 371.433 3.782 50 0 FHAARM O=C([O-])C1[C@@H](c2ccccc2)C(C(=O)N2CCCCC2)[C@@H]1c1ccccc1 ZINC000004976525 219632272 /nfs/dbraw/zinc/63/22/72/219632272.db2.gz JVYYEBJUKPRIEX-IKJYFWGWSA-N -1 0 363.457 3.897 50 0 FHAARM O=C([O-])c1cn(-c2ncc(C(F)(F)F)cc2Cl)nc1C(F)(F)F ZINC000261494941 223076096 /nfs/dbraw/zinc/07/60/96/223076096.db2.gz VRUUCKNOGSYBJU-UHFFFAOYSA-N -1 0 359.613 3.657 50 0 FHAARM COc1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2ccno2)cc1 ZINC000064844944 212046740 /nfs/dbraw/zinc/04/67/40/212046740.db2.gz XUGBFFWWBBWULB-UHFFFAOYSA-N -1 0 364.448 3.829 50 0 FHAARM Cc1nnc(-c2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)s2)o1 ZINC000064920027 212048296 /nfs/dbraw/zinc/04/82/96/212048296.db2.gz LCXDKZGJWFWFPX-UHFFFAOYSA-N -1 0 363.464 3.833 50 0 FHAARM CC(=O)Nc1cc(NC(=O)CC2(C(=O)[O-])CCCCC2)ccc1Cl ZINC000063640225 212032948 /nfs/dbraw/zinc/03/29/48/212032948.db2.gz BQFOVYWUFJHVEX-UHFFFAOYSA-N -1 0 352.818 3.662 50 0 FHAARM CN(Cc1ccsc1)C(=O)COc1cc2ccccc2cc1C(=O)[O-] ZINC000012745269 220023171 /nfs/dbraw/zinc/02/31/71/220023171.db2.gz JNQXCJLCTRDLPU-UHFFFAOYSA-N -1 0 355.415 3.637 50 0 FHAARM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(Cl)c1 ZINC000012912707 220042120 /nfs/dbraw/zinc/04/21/20/220042120.db2.gz YROWNTAPJWHDHA-UHFFFAOYSA-N -1 0 360.218 3.801 50 0 FHAARM Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(Cl)c1 ZINC000013069737 220056038 /nfs/dbraw/zinc/05/60/38/220056038.db2.gz OBGIIIOIWAILMT-UHFFFAOYSA-N -1 0 360.218 3.801 50 0 FHAARM Cc1nc(-c2cc(C(=O)N3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])co2)cs1 ZINC000299749216 211830144 /nfs/dbraw/zinc/83/01/44/211830144.db2.gz JMLIWWBKUCCSGQ-DFBGVHRSSA-N -1 0 360.435 3.569 50 0 FHAARM Cc1oc(CN(C)C(=O)[C@H]2CCCO[C@@H]2c2ccc(C)cc2)cc1C(=O)[O-] ZINC000299748091 211826303 /nfs/dbraw/zinc/82/63/03/211826303.db2.gz FYFXHLSQFRWYJC-PKOBYXMFSA-N -1 0 371.433 3.721 50 0 FHAARM COc1ccc(CCn2c(=O)c3c4c(sc3[n-]c2=S)CCC4)cc1 ZINC000017074012 220203310 /nfs/dbraw/zinc/20/33/10/220203310.db2.gz WDHRDCZJHVVCIL-UHFFFAOYSA-N -1 0 358.488 3.861 50 0 FHAARM O=S(=O)([N-]c1cccc2cccnc21)c1cccc(Br)c1 ZINC000018996228 220233709 /nfs/dbraw/zinc/23/37/09/220233709.db2.gz ITQSWHQIUBCPHT-UHFFFAOYSA-N -1 0 363.236 3.798 50 0 FHAARM O=C(Nc1ccccc1[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000023172610 211377943 /nfs/dbraw/zinc/37/79/43/211377943.db2.gz MDQRTFJCPSJLGE-UHFFFAOYSA-N -1 0 358.444 3.801 50 0 FHAARM Nc1c2cc3c(nc2sc1C(=O)Nc1cccc(C(=O)[O-])c1)CCCC3 ZINC000022079210 211338089 /nfs/dbraw/zinc/33/80/89/211338089.db2.gz DUQSCZAXIRNPSJ-UHFFFAOYSA-N -1 0 367.430 3.708 50 0 FHAARM Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000020730696 211293093 /nfs/dbraw/zinc/29/30/93/211293093.db2.gz AQGSDKSSBCLJHI-UHFFFAOYSA-N -1 0 370.405 3.886 50 0 FHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2cc(C)no2)ccc1C ZINC000020580341 211287300 /nfs/dbraw/zinc/28/73/00/211287300.db2.gz UPDNRHCCHZSUEP-UHFFFAOYSA-N -1 0 358.419 3.768 50 0 FHAARM O=S(=O)([N-]c1cnn(Cc2cccc3ccccc32)c1)c1ccccc1 ZINC000017074769 211177758 /nfs/dbraw/zinc/17/77/58/211177758.db2.gz MGLJPKZDFUOTRW-UHFFFAOYSA-N -1 0 363.442 3.885 50 0 FHAARM O=S(=O)([N-]c1nc2ccccc2s1)c1cccc(Br)c1 ZINC000037385845 211158246 /nfs/dbraw/zinc/15/82/46/211158246.db2.gz LESYKZCCRDCHLJ-UHFFFAOYSA-N -1 0 369.265 3.860 50 0 FHAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1ccc(F)cc1C ZINC000016204914 211156780 /nfs/dbraw/zinc/15/67/80/211156780.db2.gz XHDZHAPBFCPUDO-UHFFFAOYSA-N -1 0 371.387 3.632 50 0 FHAARM CCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000016126486 211154909 /nfs/dbraw/zinc/15/49/09/211154909.db2.gz MRZCKSBIFUWCOH-UHFFFAOYSA-N -1 0 373.261 3.544 50 0 FHAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(C(C)(C)C)c2)C[C@H]1C(=O)[O-] ZINC000014632480 211096841 /nfs/dbraw/zinc/09/68/41/211096841.db2.gz WJRYEPPLCGMVNX-HOTGVXAUSA-N -1 0 363.454 3.826 50 0 FHAARM O=c1[n-]c(Nc2ccccc2O)nnc1Cc1ccc(Cl)cc1Cl ZINC000013721417 211051730 /nfs/dbraw/zinc/05/17/30/211051730.db2.gz WYTFMYWEJVHDTJ-UHFFFAOYSA-N -1 0 363.204 3.924 50 0 FHAARM O=C(C1CCCC1)N(Cc1ccccc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000012928521 211009084 /nfs/dbraw/zinc/00/90/84/211009084.db2.gz UZAGKFBYKWHWEB-UHFFFAOYSA-N -1 0 367.474 3.704 50 0 FHAARM CCOc1ccc(-c2c(C)nn3c2ncc(C(=O)[O-])c3C)cc1OCC ZINC000012412234 210953330 /nfs/dbraw/zinc/95/33/30/210953330.db2.gz NZAKUNFSQXFOCH-UHFFFAOYSA-N -1 0 355.394 3.509 50 0 FHAARM Cc1ccc(-c2nnc3n2NC(c2cccs2)=C(CC(=O)[O-])S3)cc1 ZINC000008391847 210784902 /nfs/dbraw/zinc/78/49/02/210784902.db2.gz ZXMMFWWDIMGSEB-ZDUSSCGKSA-N -1 0 370.459 3.516 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCCC2)cc1 ZINC000004756978 210561457 /nfs/dbraw/zinc/56/14/57/210561457.db2.gz MNEYADMUHWYUDT-UHFFFAOYSA-N -1 0 372.490 3.812 50 0 FHAARM O=C([O-])C[C@@H](Cc1ccccc1)C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000004698256 210553701 /nfs/dbraw/zinc/55/37/01/210553701.db2.gz QDKOBLJNXLXKDU-RQJZOYDLSA-N -1 0 355.478 3.653 50 0 FHAARM O=C([O-])c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 ZINC000003273161 210461223 /nfs/dbraw/zinc/46/12/23/210461223.db2.gz XDOLSWJSNIRYRU-UHFFFAOYSA-N -1 0 367.426 3.780 50 0 FHAARM O=C([O-])CCSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1 ZINC000002709013 210415614 /nfs/dbraw/zinc/41/56/14/210415614.db2.gz JRLVFZICWCHDEC-UHFFFAOYSA-N -1 0 360.826 3.550 50 0 FHAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000002243687 210387411 /nfs/dbraw/zinc/38/74/11/210387411.db2.gz BHDMUBZVWRSQOT-KGLIPLIRSA-N -1 0 351.402 3.778 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]C(=O)O[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000002217028 210385506 /nfs/dbraw/zinc/38/55/06/210385506.db2.gz GNGVGDGJZLEFRB-CQSZACIVSA-N -1 0 373.352 3.714 50 0 FHAARM Cc1c2ccc(OCc3ccc(F)cc3F)cc2oc(=O)c1CCC(=O)[O-] ZINC000002093275 210380804 /nfs/dbraw/zinc/38/08/04/210380804.db2.gz VVENAJXMHOWTJV-UHFFFAOYSA-N -1 0 374.339 3.976 50 0 biogenic FHAARM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccc(Br)s1 ZINC000001472315 210355616 /nfs/dbraw/zinc/35/56/16/210355616.db2.gz DYSYRSFTEUSXCF-UHFFFAOYSA-N -1 0 358.282 3.800 50 0 FHAARM CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000001159584 210327875 /nfs/dbraw/zinc/32/78/75/210327875.db2.gz QVRIAHWIVKSCQB-UHFFFAOYSA-N -1 0 356.447 3.809 50 0 FHAARM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000001141386 210323827 /nfs/dbraw/zinc/32/38/27/210323827.db2.gz GNWMWGYBKXWWHI-UHFFFAOYSA-N -1 0 360.254 3.514 50 0 FHAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Cc2ccncc2)cc1 ZINC000001068771 210310921 /nfs/dbraw/zinc/31/09/21/210310921.db2.gz JUZWSJNPFJLSRS-UHFFFAOYSA-N -1 0 372.421 3.621 50 0 FHAARM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1C ZINC000001128539 210321784 /nfs/dbraw/zinc/32/17/84/210321784.db2.gz OIBDJKPVMQVHOJ-UHFFFAOYSA-N -1 0 374.245 3.889 50 0 FHAARM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000000983158 210296739 /nfs/dbraw/zinc/29/67/39/210296739.db2.gz LYTHYUXWHKLDIV-UHFFFAOYSA-N -1 0 374.245 3.889 50 0 FHAARM CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(C(=O)[O-])cc1 ZINC000000953666 210295576 /nfs/dbraw/zinc/29/55/76/210295576.db2.gz UAMJEMUNNDOCEU-UHFFFAOYSA-N -1 0 366.373 3.862 50 0 FHAARM CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1cccc(C(=O)[O-])c1 ZINC000000948640 210293597 /nfs/dbraw/zinc/29/35/97/210293597.db2.gz OOWUONFRORFPAO-UHFFFAOYSA-N -1 0 366.373 3.862 50 0 biogenic FHAARM CCOC(=O)c1sc2ncnc(Nc3cccc(C(=O)[O-])c3)c2c1C ZINC000000938150 210291909 /nfs/dbraw/zinc/29/19/09/210291909.db2.gz VEOXARFZSNLUJS-UHFFFAOYSA-N -1 0 357.391 3.618 50 0 FHAARM COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000000907716 210287854 /nfs/dbraw/zinc/28/78/54/210287854.db2.gz SFOISNSYBJHMMG-LJQANCHMSA-N -1 0 366.417 3.628 50 0 FHAARM CCOc1ccc(OCCn2c3ccccc3nc2SCC(=O)[O-])cc1 ZINC000000781714 210270527 /nfs/dbraw/zinc/27/05/27/210270527.db2.gz ASJWQLIBNVRFQU-UHFFFAOYSA-N -1 0 372.446 3.691 50 0 FHAARM Cc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc(C)c(Cl)c3)[n-]2)cc1 ZINC000049006610 221017120 /nfs/dbraw/zinc/01/71/20/221017120.db2.gz SSNYYMIWXZFIAK-UHFFFAOYSA-N -1 0 355.825 3.752 50 0 FHAARM C[C@@H](NC(=O)c1cc2c3ccccc3[nH]c2c(-c2ccccc2)n1)C(=O)[O-] ZINC000061705236 221134774 /nfs/dbraw/zinc/13/47/74/221134774.db2.gz GKMBYFKDZMNKMW-GFCCVEGCSA-N -1 0 359.385 3.586 50 0 FHAARM Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000064947309 221157051 /nfs/dbraw/zinc/15/70/51/221157051.db2.gz QPPNZHGVJULLQC-UHFFFAOYSA-N -1 0 359.426 3.737 50 0 FHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2cc(C)no2)o1 ZINC000064958483 221158930 /nfs/dbraw/zinc/15/89/30/221158930.db2.gz IDNKLSOQOMRVHZ-UHFFFAOYSA-N -1 0 368.798 3.706 50 0 FHAARM COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)[N-]c1ccccc1C ZINC000064979446 221160586 /nfs/dbraw/zinc/16/05/86/221160586.db2.gz IKKRVGFNVUQEOG-UHFFFAOYSA-N -1 0 358.419 3.768 50 0 FHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2ccno2)s1 ZINC000065031174 221165111 /nfs/dbraw/zinc/16/51/11/221165111.db2.gz XTCHQEPMFSOKFK-UHFFFAOYSA-N -1 0 350.421 3.521 50 0 FHAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)s2)c1C ZINC000065031250 221165254 /nfs/dbraw/zinc/16/52/54/221165254.db2.gz HCMCNYJSVVESLJ-UHFFFAOYSA-N -1 0 352.412 3.960 50 0 FHAARM Cc1nnc(-c2csc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c2)o1 ZINC000065098585 221168467 /nfs/dbraw/zinc/16/84/67/221168467.db2.gz HQCLADIFJVHUKY-UHFFFAOYSA-N -1 0 373.818 3.700 50 0 FHAARM CCc1nnc(-c2csc(S(=O)(=O)[N-]c3ccc(F)cc3C)c2)o1 ZINC000065098677 221170076 /nfs/dbraw/zinc/17/00/76/221170076.db2.gz RGNFXHZHXIAWNG-UHFFFAOYSA-N -1 0 367.427 3.609 50 0 FHAARM Cc1cccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)C[C@H](C)CC4)c1 ZINC000065150449 221172543 /nfs/dbraw/zinc/17/25/43/221172543.db2.gz XXARDNQMUCLDFF-LLVKDONJSA-N -1 0 368.458 3.981 50 0 FHAARM Cc1nnc(-c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(C)s2)o1 ZINC000065149417 221172786 /nfs/dbraw/zinc/17/27/86/221172786.db2.gz YXLCIRNIJHBSDZ-UHFFFAOYSA-N -1 0 369.855 3.869 50 0 FHAARM O=S(=O)([N-]c1ccccc1F)c1ccc(-c2nnc(C3CCC3)o2)o1 ZINC000065246405 221186845 /nfs/dbraw/zinc/18/68/45/221186845.db2.gz JZRYSSXHESUZSJ-UHFFFAOYSA-N -1 0 363.370 3.537 50 0 FHAARM O=C([O-])c1cc(NS(=O)(=O)C2=Cc3ccccc3CC2)ccc1Cl ZINC000065512776 221228918 /nfs/dbraw/zinc/22/89/18/221228918.db2.gz WMLPRNVNUHTGFH-UHFFFAOYSA-N -1 0 363.822 3.767 50 0 FHAARM Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccccc1C(=O)[O-])CC(=O)N2 ZINC000065527814 221231589 /nfs/dbraw/zinc/23/15/89/221231589.db2.gz FZGRJBXPVPNTDZ-KRWDZBQOSA-N -1 0 361.401 3.661 50 0 FHAARM Cc1cc(C(=O)N[C@H](C(=O)[O-])c2c(C)n[nH]c2C)sc1-c1ccccc1 ZINC000067643492 221264758 /nfs/dbraw/zinc/26/47/58/221264758.db2.gz LUERACAFESLIFR-INIZCTEOSA-N -1 0 369.446 3.619 50 0 FHAARM CCOc1ccc(-c2ccnc(COc3ccc(F)cc3)n2)cc1C(=O)[O-] ZINC000071764768 221370391 /nfs/dbraw/zinc/37/03/91/221370391.db2.gz FYMYZJAFVZMCSE-UHFFFAOYSA-N -1 0 368.364 3.959 50 0 FHAARM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c(Cl)c1 ZINC000071974148 221391215 /nfs/dbraw/zinc/39/12/15/221391215.db2.gz NBQSSUADLUDMJA-UHFFFAOYSA-N -1 0 365.838 3.636 50 0 FHAARM CCCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cccs3)ccc21 ZINC000008840716 132260755 /nfs/dbraw/zinc/26/07/55/132260755.db2.gz DMJQNDDEXNOTCK-UHFFFAOYSA-N -1 0 364.492 3.628 50 0 FHAARM COc1ccc([C@@H]2[C@@H](C(=O)[O-])CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000003888151 132385846 /nfs/dbraw/zinc/38/58/46/132385846.db2.gz KZRIPBOEXHKWGY-OXJNMPFZSA-N -1 0 369.417 3.581 50 0 FHAARM COc1ccc2cc([C@@H]3CN(c4ncccc4C(=O)[O-])CCO3)ccc2c1 ZINC000071751331 136140184 /nfs/dbraw/zinc/14/01/84/136140184.db2.gz PYFXHVZNOOAHCI-IBGZPJMESA-N -1 0 364.401 3.520 50 0 FHAARM O=C([O-])C1(CCOc2ccccc2)CCN(c2ncccc2Cl)CC1 ZINC000071763658 136140610 /nfs/dbraw/zinc/14/06/10/136140610.db2.gz JDRIWPPZWJIRRB-UHFFFAOYSA-N -1 0 360.841 3.875 50 0 FHAARM O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N1CCCC[C@@H]1c1cccc(F)c1 ZINC000077470198 221632916 /nfs/dbraw/zinc/63/29/16/221632916.db2.gz REIJDLPGSDODLA-LJQANCHMSA-N -1 0 365.408 3.672 50 0 FHAARM CCc1c2ccccc2[nH]c1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000091586745 221769837 /nfs/dbraw/zinc/76/98/37/221769837.db2.gz JRWGXOXUXTXRFP-ZWKOTPCHSA-N -1 0 362.429 3.671 50 0 FHAARM CCOc1ccc([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000095430808 221901397 /nfs/dbraw/zinc/90/13/97/221901397.db2.gz GTSHKLJYZDSELD-UHFFFAOYSA-N -1 0 367.295 3.582 50 0 FHAARM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2F)cc1F ZINC000096170860 222068500 /nfs/dbraw/zinc/06/85/00/222068500.db2.gz HOKMHBJMZBZNDZ-UHFFFAOYSA-N -1 0 362.195 3.837 50 0 FHAARM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000096171000 222068570 /nfs/dbraw/zinc/06/85/70/222068570.db2.gz 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CC(C)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)cc1 ZINC000016121191 220178778 /nfs/dbraw/zinc/17/87/78/220178778.db2.gz NLPYWVWWEMOJRK-UHFFFAOYSA-N -1 0 372.490 3.847 50 0 FHAARM C[C@@H](C(=O)[O-])N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 ZINC000039953890 211710301 /nfs/dbraw/zinc/71/03/01/211710301.db2.gz FYIWZDMXOCBTJE-ZDUSSCGKSA-N -1 0 351.402 3.873 50 0 FHAARM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cn1 ZINC000022307466 211346731 /nfs/dbraw/zinc/34/67/31/211346731.db2.gz HDFIQXJCOMZWEB-UHFFFAOYSA-N -1 0 366.748 3.563 50 0 FHAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 ZINC000021962741 211332344 /nfs/dbraw/zinc/33/23/44/211332344.db2.gz IMROYEDZWIZGEE-FQEVSTJZSA-N -1 0 358.397 3.747 50 0 FHAARM Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000020739757 211295808 /nfs/dbraw/zinc/29/58/08/211295808.db2.gz MMFCWBHYLDSYBS-OAHLLOKOSA-N -1 0 370.405 3.813 50 0 FHAARM O=C([O-])c1cnn2c1N[C@@H](c1ccc(Cl)s1)C[C@H]2C(F)(F)F ZINC000020617211 211292118 /nfs/dbraw/zinc/29/21/18/211292118.db2.gz WUZLBDWVXNBJGV-SVRRBLITSA-N -1 0 351.737 3.957 50 0 FHAARM CCOC(=O)c1[nH]c2ccc(Br)cc2c1CCCC(=O)[O-] ZINC000019909380 211261449 /nfs/dbraw/zinc/26/14/49/211261449.db2.gz IZIHYAGLOAIUCT-UHFFFAOYSA-N -1 0 354.200 3.514 50 0 FHAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccc(Cl)cc1Cl ZINC000018263298 211197530 /nfs/dbraw/zinc/19/75/30/211197530.db2.gz AVNIZQBDDWABRZ-UHFFFAOYSA-N -1 0 374.245 3.722 50 0 FHAARM COc1ccc(-c2c(C)[n-]n3c2nc(-c2ccc(OC)cc2)cc3=O)cc1 ZINC000018222286 211196414 /nfs/dbraw/zinc/19/64/14/211196414.db2.gz VPNMUBBZHPZCHM-UHFFFAOYSA-N -1 0 361.401 3.682 50 0 FHAARM CCn1cc(Cn2c(=O)c3c4c(sc3[n-]c2=S)CCCCC4)cn1 ZINC000017074321 211177498 /nfs/dbraw/zinc/17/74/98/211177498.db2.gz BHXHFVIWAAFZDQ-UHFFFAOYSA-N -1 0 360.508 3.654 50 0 FHAARM CCOc1ccc(Cc2nnc(Nc3ccc(C)c(C)c3)[n-]c2=O)cc1 ZINC000016777509 211168584 /nfs/dbraw/zinc/16/85/84/211168584.db2.gz PNNVMPRHVKAPGA-UHFFFAOYSA-N -1 0 350.422 3.927 50 0 FHAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1ccc(Cl)cc1 ZINC000016200168 211156918 /nfs/dbraw/zinc/15/69/18/211156918.db2.gz NGQJAEZPRLDEQF-UHFFFAOYSA-N -1 0 373.815 3.838 50 0 FHAARM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccccc1Br ZINC000016094782 211155757 /nfs/dbraw/zinc/15/57/57/211155757.db2.gz ZTIFZGMAQAPCTC-UHFFFAOYSA-N -1 0 352.253 3.739 50 0 FHAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)CCC3CCCC3)cc2s1 ZINC000015861948 211147285 /nfs/dbraw/zinc/14/72/85/211147285.db2.gz WZAGFWSFPGUHLX-UHFFFAOYSA-N -1 0 367.496 3.577 50 0 FHAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Br)cn2)c(C)c1 ZINC000013331875 211030512 /nfs/dbraw/zinc/03/05/12/211030512.db2.gz PSDDXSDPRUXYEQ-UHFFFAOYSA-N -1 0 355.257 3.570 50 0 FHAARM COc1cccc(-c2nc3ccccc3c(NC[C@@H]3CCCO3)n2)c1[O-] ZINC000013127743 211025134 /nfs/dbraw/zinc/02/51/34/211025134.db2.gz SOUNIKZJXQFRPH-ZDUSSCGKSA-N -1 0 351.406 3.602 50 0 FHAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1cc(C)ccc1F ZINC000013017730 211019957 /nfs/dbraw/zinc/01/99/57/211019957.db2.gz DRQHXVWDILJMEE-UHFFFAOYSA-N -1 0 371.387 3.632 50 0 FHAARM CCc1ccc([N-]S(=O)(=O)c2cc(OC)c(Cl)cc2OC)cc1 ZINC000008132491 210770776 /nfs/dbraw/zinc/77/07/76/210770776.db2.gz DAIZIPRSJQYHBK-UHFFFAOYSA-N -1 0 355.843 3.720 50 0 FHAARM Cc1c2ccc(OCc3ccccc3Cl)cc2oc(=O)c1CC(=O)[O-] ZINC000005047241 210593402 /nfs/dbraw/zinc/59/34/02/210593402.db2.gz JQZQYTZIWFFSMH-UHFFFAOYSA-N -1 0 358.777 3.961 50 0 FHAARM COc1ccc(OCc2nnc(SCc3cccc(C(=O)[O-])c3)o2)cc1 ZINC000004943103 210582862 /nfs/dbraw/zinc/58/28/62/210582862.db2.gz JYKRPNKMXCXNBD-UHFFFAOYSA-N -1 0 372.402 3.648 50 0 FHAARM O=C([O-])c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000004614478 210546193 /nfs/dbraw/zinc/54/61/93/210546193.db2.gz DTLRCAQTONHFBD-VDTYLAMSSA-N -1 0 351.737 3.957 50 0 FHAARM CC(C)(C)Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])cc1 ZINC000004301174 210521163 /nfs/dbraw/zinc/52/11/63/210521163.db2.gz YKVBQSGNGCKQSV-SFHVURJKSA-N -1 0 371.433 3.786 50 0 FHAARM Cc1cccc(COc2ccc3c(C)c(CC(=O)[O-])c(=O)oc3c2C)c1 ZINC000002151660 210382287 /nfs/dbraw/zinc/38/22/87/210382287.db2.gz POIPWHYIHJJYAK-UHFFFAOYSA-N -1 0 352.386 3.924 50 0 biogenic FHAARM Cc1c2ccc(OCc3ccc(F)cc3)cc2oc(=O)c1CCC(=O)[O-] ZINC000002151912 210382144 /nfs/dbraw/zinc/38/21/44/210382144.db2.gz WYKTYUCUZMHCNC-UHFFFAOYSA-N -1 0 356.349 3.837 50 0 biogenic FHAARM COc1cccc(COc2ccc3c(C)c(CC(=O)[O-])c(=O)oc3c2C)c1 ZINC000002091027 210380523 /nfs/dbraw/zinc/38/05/23/210380523.db2.gz JFYBAEYFENGNLO-UHFFFAOYSA-N -1 0 368.385 3.625 50 0 biogenic FHAARM CC(C)OC(=O)N(C)c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000001231981 210338275 /nfs/dbraw/zinc/33/82/75/210338275.db2.gz CAMNTZQTHDEIFG-UHFFFAOYSA-N -1 0 359.266 3.980 50 0 FHAARM O=C([O-])CCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1Cl ZINC000001217267 210337171 /nfs/dbraw/zinc/33/71/71/210337171.db2.gz VINKPVOXGBCRJY-AWEZNQCLSA-N -1 0 362.838 3.944 50 0 FHAARM O=C([O-])c1cccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000001157469 210327606 /nfs/dbraw/zinc/32/76/06/210327606.db2.gz HWLHOXRCMKLXQV-UHFFFAOYSA-N -1 0 369.229 3.818 50 0 FHAARM O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1c(Cl)cccc1Cl ZINC000001100400 210316961 /nfs/dbraw/zinc/31/69/61/210316961.db2.gz SLUKDRSEUOPYLT-UHFFFAOYSA-N -1 0 360.218 3.565 50 0 FHAARM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000994365 210300234 /nfs/dbraw/zinc/30/02/34/210300234.db2.gz DHIXDIUQDKAVOW-UHFFFAOYSA-N -1 0 374.245 3.971 50 0 FHAARM O=c1oc2cc([O-])ccc2cc1-c1nnc(Nc2ccccc2F)s1 ZINC000000856301 210283260 /nfs/dbraw/zinc/28/32/60/210283260.db2.gz VRIWYIIXKDOZQR-UHFFFAOYSA-N -1 0 355.350 3.900 50 0 biogenic FHAARM Cc1sc2ncnc(N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c2c1C ZINC000000784785 210270551 /nfs/dbraw/zinc/27/05/51/210270551.db2.gz JURAEFGBYDNZBT-OAHLLOKOSA-N -1 0 366.446 3.897 50 0 FHAARM Cc1nc(-c2ccccc2F)sc1C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000020721791 220339257 /nfs/dbraw/zinc/33/92/57/220339257.db2.gz SYZSKTYMUYBGDT-OAHLLOKOSA-N -1 0 370.405 3.813 50 0 FHAARM Cc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCCCC3)c([O-])n2n1 ZINC000022626045 220392532 /nfs/dbraw/zinc/39/25/32/220392532.db2.gz VBQBWESYIWTROQ-CQSZACIVSA-N -1 0 364.421 3.658 50 0 FHAARM CCc1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc1 ZINC000064947281 221157315 /nfs/dbraw/zinc/15/73/15/221157315.db2.gz JZVYFSKHDWMCLK-UHFFFAOYSA-N -1 0 373.453 3.991 50 0 FHAARM Cc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000065183830 221176117 /nfs/dbraw/zinc/17/61/17/221176117.db2.gz YLYHBXFBUPIEHB-UHFFFAOYSA-N -1 0 370.887 3.677 50 0 FHAARM CCc1nnc(-c2csc(S(=O)(=O)[N-]c3ccc(CC)cc3)c2)o1 ZINC000065098628 221168642 /nfs/dbraw/zinc/16/86/42/221168642.db2.gz GOEWUBJHSMPCQS-UHFFFAOYSA-N -1 0 363.464 3.724 50 0 FHAARM CCc1cccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)CCCC4)c1 ZINC000065150374 221172605 /nfs/dbraw/zinc/17/26/05/221172605.db2.gz MCDSHAZSLKTHEP-UHFFFAOYSA-N -1 0 368.458 3.989 50 0 FHAARM O=c1[nH]c2ccc(Cl)cc2c([O-])c1-c1nc(-c2cccc(F)c2)no1 ZINC000065248518 221186668 /nfs/dbraw/zinc/18/66/68/221186668.db2.gz CTRWHKLLKAMOPS-UHFFFAOYSA-N -1 0 357.728 3.743 50 0 FHAARM CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CC3)o2)o1 ZINC000065246374 221186713 /nfs/dbraw/zinc/18/67/13/221186713.db2.gz FVHCHRKAQFTOOH-UHFFFAOYSA-N -1 0 359.407 3.570 50 0 FHAARM CC(C)c1nnc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)o2)o1 ZINC000065246304 221187230 /nfs/dbraw/zinc/18/72/30/221187230.db2.gz QDGMXLHJQHYGHW-UHFFFAOYSA-N -1 0 367.814 3.907 50 0 FHAARM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(-c2nnc(C3CCC3)o2)o1 ZINC000065246406 221187391 /nfs/dbraw/zinc/18/73/91/221187391.db2.gz ZCKSFAVSSDILEC-UHFFFAOYSA-N -1 0 363.370 3.537 50 0 FHAARM COc1ccc(C(C)C)cc1[C@@H]1CC(=O)Nc2cc(OCC(=O)[O-])ccc21 ZINC000065501435 221227588 /nfs/dbraw/zinc/22/75/88/221227588.db2.gz XFQCSUNCZYLKIG-MRXNPFEDSA-N -1 0 369.417 3.756 50 0 FHAARM O=C([O-])c1cn(-c2cccc(Cl)c2)c2c1NC(=O)C[C@H]2C(F)(F)F ZINC000066089606 221240080 /nfs/dbraw/zinc/24/00/80/221240080.db2.gz WYDFNOAQGYZRHE-SNVBAGLBSA-N -1 0 358.703 3.817 50 0 FHAARM O=C([O-])c1cn(-c2ccc(F)cc2)c2c1NC(=O)C[C@H]2c1cccc(F)c1 ZINC000066087849 221240557 /nfs/dbraw/zinc/24/05/57/221240557.db2.gz XTXBEHXRUGCKRQ-HNNXBMFYSA-N -1 0 368.339 3.928 50 0 FHAARM O=C([O-])c1cn(-c2ccc(F)cc2)c2c1NC(=O)C[C@@H]2c1cccc(F)c1 ZINC000066087851 221240601 /nfs/dbraw/zinc/24/06/01/221240601.db2.gz XTXBEHXRUGCKRQ-OAHLLOKOSA-N -1 0 368.339 3.928 50 0 FHAARM CCc1c[nH]nc1[C@@H]1CCCN(c2cc(C(=O)[O-])c3ccccc3n2)C1 ZINC000067820112 221289464 /nfs/dbraw/zinc/28/94/64/221289464.db2.gz JXQDLEJESVHLHC-CQSZACIVSA-N -1 0 350.422 3.603 50 0 FHAARM CN(Cc1ccccc1Cl)c1nccc(-c2cc(C(=O)[O-])ccn2)n1 ZINC000071760959 221367819 /nfs/dbraw/zinc/36/78/19/221367819.db2.gz ITKSGPRSKUWJSF-UHFFFAOYSA-N -1 0 354.797 3.527 50 0 FHAARM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC000071817317 221379671 /nfs/dbraw/zinc/37/96/71/221379671.db2.gz BCWUBSLDZMPRGC-OAHLLOKOSA-N -1 0 372.465 3.675 50 0 FHAARM Cc1ccccc1-n1cc(Cn2ccnc2-c2ccccc2C(=O)[O-])cn1 ZINC000071771759 221373614 /nfs/dbraw/zinc/37/36/14/221373614.db2.gz IAGUFNXCBMFZGU-UHFFFAOYSA-N -1 0 358.401 3.791 50 0 FHAARM O=C([O-])c1ccccc1-c1nccn1Cc1cnn(Cc2ccccc2)c1 ZINC000071779845 221375638 /nfs/dbraw/zinc/37/56/38/221375638.db2.gz HMULRTYMNKFPPB-UHFFFAOYSA-N -1 0 358.401 3.541 50 0 FHAARM O=C([O-])c1ccccc1[C@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000072153736 221432109 /nfs/dbraw/zinc/43/21/09/221432109.db2.gz VMZKMSBUPITGBB-LBPRGKRZSA-N -1 0 352.365 3.635 50 0 FHAARM O=S(=O)([N-]c1ccccc1N1CCCCC1)c1cc(F)ccc1F ZINC000008109149 132259469 /nfs/dbraw/zinc/25/94/69/132259469.db2.gz NJXFVNXKMHPBMB-UHFFFAOYSA-N -1 0 352.406 3.756 50 0 FHAARM CCCc1nc(C)cc(N2CCC[C@@](Cc3ccccc3)(C(=O)[O-])C2)n1 ZINC000071748219 136140029 /nfs/dbraw/zinc/14/00/29/136140029.db2.gz ZUKZFCCPGSCWOU-NRFANRHFSA-N -1 0 353.466 3.651 50 0 FHAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000095355725 221856165 /nfs/dbraw/zinc/85/61/65/221856165.db2.gz SXAJDZZLDREQRO-KRWDZBQOSA-N -1 0 356.397 3.613 50 0 FHAARM COc1cccc(Cl)c1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000095463970 221912156 /nfs/dbraw/zinc/91/21/56/221912156.db2.gz FPLUXONBWJWWRL-UHFFFAOYSA-N -1 0 363.797 3.845 50 0 FHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccccc2C)c1-c1nnc(C2CC2)o1 ZINC000096379639 222117564 /nfs/dbraw/zinc/11/75/64/222117564.db2.gz DLWINFNWDIVZEK-UHFFFAOYSA-N -1 0 372.450 3.668 50 0 FHAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000098073015 222225521 /nfs/dbraw/zinc/22/55/21/222225521.db2.gz CKXAQXZCKXZJSL-UHFFFAOYSA-N -1 0 362.195 3.837 50 0 FHAARM Cc1nnc(SCc2cc(=O)n(-c3nc4ccccc4s3)[n-]2)s1 ZINC000100225727 222239208 /nfs/dbraw/zinc/23/92/08/222239208.db2.gz MDALYLUTXRULPL-UHFFFAOYSA-N -1 0 361.477 3.640 50 0 FHAARM CCCCn1c(=O)c(C(=O)Nc2ccc(F)cc2)c([O-])c2ccccc21 ZINC000100463147 222244421 /nfs/dbraw/zinc/24/44/21/222244421.db2.gz OFJNJXNWGXPRKO-UHFFFAOYSA-N -1 0 354.381 3.899 50 0 FHAARM COc1cccc(NC(=O)c2c([O-])c3ccccc3n(CC(C)C)c2=O)c1 ZINC000100681714 222249167 /nfs/dbraw/zinc/24/91/67/222249167.db2.gz CBHVFCWOHCROKB-UHFFFAOYSA-N -1 0 366.417 3.624 50 0 FHAARM Cc1nc(-n2[n-]c(C)c(CC(=O)Nc3c(C)cccc3C)c2=O)sc1C ZINC000101401611 222273119 /nfs/dbraw/zinc/27/31/19/222273119.db2.gz WDOZFHYVLHAUCL-UHFFFAOYSA-N -1 0 370.478 3.758 50 0 FHAARM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000020574913 521384855 /nfs/dbraw/zinc/38/48/55/521384855.db2.gz MFRGMHNMGOWQDS-UHFFFAOYSA-N -1 0 364.467 3.732 50 0 FHAARM Cc1nc(C)c(S(=O)(=O)[N-]c2cc(-c3ccc(Cl)s3)[nH]n2)s1 ZINC000089559297 526739313 /nfs/dbraw/zinc/73/93/13/526739313.db2.gz YUSQIOHRYHQXLO-UHFFFAOYSA-N -1 0 374.900 3.666 50 0 FHAARM Cc1ccsc1C1N=NC(=S)N1c1ccc(Cl)c(C(=O)[O-])c1 ZINC000012324676 568180353 /nfs/dbraw/zinc/18/03/53/568180353.db2.gz LMWJWXFLWXBOCM-UHFFFAOYSA-N -1 0 351.840 3.945 50 0 FHAARM O=S(=O)(Nc1ccc(F)c(C(F)(F)F)c1)c1cc(F)cc(F)c1 ZINC000095068010 570451305 /nfs/dbraw/zinc/45/13/05/570451305.db2.gz XSMVZGKCZOFKAJ-UHFFFAOYSA-N -1 0 355.259 3.924 50 0 FHAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3cccc4cnccc43)C2)c1 ZINC000095359808 570453959 /nfs/dbraw/zinc/45/39/59/570453959.db2.gz MRKIVCLPDYLOHQ-GOSISDBHSA-N -1 0 360.413 3.953 50 0 FHAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)c3ccc4ncccc4c3)C2)cc1 ZINC000095364419 570455080 /nfs/dbraw/zinc/45/50/80/570455080.db2.gz UUWBANBOPWLYPU-IBGZPJMESA-N -1 0 360.413 3.953 50 0 FHAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3ccc4ncccc4c3)C2)c1 ZINC000095383615 570459691 /nfs/dbraw/zinc/45/96/91/570459691.db2.gz VDZOEBQUFWARFZ-LJQANCHMSA-N -1 0 360.413 3.953 50 0 FHAARM CSCc1ccc(C(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)o1 ZINC000095383867 570459776 /nfs/dbraw/zinc/45/97/76/570459776.db2.gz KSOYSYXVKNWEFO-OAHLLOKOSA-N -1 0 359.447 3.861 50 0 FHAARM Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)N[C@@H](C(=O)[O-])c1cccc(F)c1 ZINC000095526205 570469026 /nfs/dbraw/zinc/46/90/26/570469026.db2.gz YTMKJHUQJDFCOQ-HXUWFJFHSA-N -1 0 368.408 3.717 50 0 FHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c1 ZINC000002855781 570538258 /nfs/dbraw/zinc/53/82/58/570538258.db2.gz IGAPWRVCBFBEQI-UHFFFAOYSA-N -1 0 361.341 3.523 50 0 FHAARM COc1c(C)cc([C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)[O-])cc1C ZINC000221039127 570544976 /nfs/dbraw/zinc/54/49/76/570544976.db2.gz LELVUHMHGRFSDU-CVEARBPZSA-N -1 0 363.454 3.880 50 0 FHAARM COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000004970453 570569276 /nfs/dbraw/zinc/56/92/76/570569276.db2.gz QYSLYXXSBHWSBN-UHFFFAOYSA-N -1 0 354.859 3.842 50 0 FHAARM Cc1cc(C(F)(F)F)n(-c2nc(-c3ccccc3)c(CC(=O)[O-])s2)n1 ZINC000004092885 570575598 /nfs/dbraw/zinc/57/55/98/570575598.db2.gz WSOPRNHDAVUOMT-UHFFFAOYSA-N -1 0 367.352 3.950 50 0 FHAARM CCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc(C)c1-c1ccccc1 ZINC000004103652 570575915 /nfs/dbraw/zinc/57/59/15/570575915.db2.gz JCXWVQFNWDTCSD-UHFFFAOYSA-N -1 0 361.419 3.704 50 0 FHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)CCc2ncc(-c3ccccc3F)o2)C1 ZINC000237958064 570584629 /nfs/dbraw/zinc/58/46/29/570584629.db2.gz RUKHVQNUBBRHSR-AWEZNQCLSA-N -1 0 374.412 3.517 50 0 FHAARM O=C([O-])c1ccc(C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000237993359 570585707 /nfs/dbraw/zinc/58/57/07/570585707.db2.gz HUAVDTFUBORDGG-GOSISDBHSA-N -1 0 373.836 3.624 50 0 FHAARM Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)cc1 ZINC000005136569 570588671 /nfs/dbraw/zinc/58/86/71/570588671.db2.gz KIIYDMJKPDXLDC-UHFFFAOYSA-N -1 0 372.490 3.731 50 0 FHAARM CCOc1ccc(Cc2nnc(Nc3ccc(C)cc3C)[n-]c2=O)cc1 ZINC000005154388 570591643 /nfs/dbraw/zinc/59/16/43/570591643.db2.gz DDKDUJLMYSYZDH-UHFFFAOYSA-N -1 0 350.422 3.515 50 0 FHAARM Cc1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(C(=O)OC(C)C)c1C ZINC000004611869 570597800 /nfs/dbraw/zinc/59/78/00/570597800.db2.gz AGSXEMJMVQQVRA-STQMWFEESA-N -1 0 365.451 3.536 50 0 FHAARM CC(C)c1ccc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1 ZINC000004703572 570602386 /nfs/dbraw/zinc/60/23/86/570602386.db2.gz ZEFNTWWPAQQFKY-UHFFFAOYSA-N -1 0 354.450 3.957 50 0 FHAARM Cc1ccc(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CCCCCC4)o1 ZINC000004803423 570607014 /nfs/dbraw/zinc/60/70/14/570607014.db2.gz MJKYFZYCICMENU-UHFFFAOYSA-N -1 0 371.462 3.711 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCC(C)C)cc1 ZINC000005050270 570619614 /nfs/dbraw/zinc/61/96/14/570619614.db2.gz 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O=C([O-])COc1ccccc1/C=C1\N=C(c2ccc3ccccc3c2)OC1=O ZINC000008179778 570678189 /nfs/dbraw/zinc/67/81/89/570678189.db2.gz RIXSNNMPFQRKDU-PDGQHHTCSA-N -1 0 373.364 3.648 50 0 FHAARM CCOC(=O)c1cc2cc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])ccc2s1 ZINC000008816557 570688788 /nfs/dbraw/zinc/68/87/88/570688788.db2.gz SLNGYHCROBSZCA-ZIAGYGMSSA-N -1 0 373.430 3.684 50 0 FHAARM O=C([O-])c1cccc(NC(=O)CSc2ccc(Br)cc2)c1 ZINC000002876894 570768677 /nfs/dbraw/zinc/76/86/77/570768677.db2.gz NZWPGBBUPGOSCK-UHFFFAOYSA-N -1 0 366.236 3.878 50 0 FHAARM COc1cc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc(OC)c1OC ZINC000002838246 570768841 /nfs/dbraw/zinc/76/88/41/570768841.db2.gz VDLLLSCHICUXHZ-UHFFFAOYSA-N -1 0 372.204 3.977 50 0 FHAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004581089 570849351 /nfs/dbraw/zinc/84/93/51/570849351.db2.gz DCHDTVPLHXJQSQ-FRXJQHJJSA-N -1 0 371.477 3.934 50 0 FHAARM CCOc1ccc(NC(=O)CSc2nc(=O)c3sccc3[n-]2)cc1 ZINC000051317203 570864501 /nfs/dbraw/zinc/86/45/01/570864501.db2.gz MPWVVTBEGQBMMV-UHFFFAOYSA-N -1 0 361.448 3.526 50 0 FHAARM O=C(NCc1nc2ccccc2s1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000048265704 570939666 /nfs/dbraw/zinc/93/96/66/570939666.db2.gz LKPMNEPXYKGOGF-UHFFFAOYSA-N -1 0 368.443 3.538 50 0 FHAARM O=C([O-])CCOc1ccc(C=C(Cl)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000048304018 570943266 /nfs/dbraw/zinc/94/32/66/570943266.db2.gz YITPYFZOXIBPJW-RVDMUPIBSA-N -1 0 370.792 3.926 50 0 FHAARM O=C([O-])c1cn(-c2ccccc2Cl)c2c1NC(=O)C[C@H]2c1ccncc1 ZINC000049548683 570963926 /nfs/dbraw/zinc/96/39/26/570963926.db2.gz KFTUXCDFODJILI-LBPRGKRZSA-N -1 0 367.792 3.698 50 0 FHAARM Cc1nc(-c2cccc(F)c2)sc1C(=O)NCCCCCC(=O)[O-] ZINC000049550386 570964138 /nfs/dbraw/zinc/96/41/38/570964138.db2.gz SDAIQZPZTQKJMH-UHFFFAOYSA-N -1 0 350.415 3.632 50 0 FHAARM COc1ccc(-c2nonc2[N-]C(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000027990947 571025490 /nfs/dbraw/zinc/02/54/90/571025490.db2.gz VOOKJSISFDGEHH-UHFFFAOYSA-N -1 0 362.345 3.653 50 0 FHAARM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(Br)cn2)cc1 ZINC000008696875 571055555 /nfs/dbraw/zinc/05/55/55/571055555.db2.gz LRNZEPNGIOGORL-UHFFFAOYSA-N -1 0 355.257 3.768 50 0 FHAARM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000031864517 571055919 /nfs/dbraw/zinc/05/59/19/571055919.db2.gz FFWHLFWOMCIZFZ-LBPRGKRZSA-N -1 0 364.854 3.709 50 0 FHAARM Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)CCC(=O)[O-])cc12 ZINC000032916841 571060388 /nfs/dbraw/zinc/06/03/88/571060388.db2.gz NXLSSUNJRVMZGQ-UHFFFAOYSA-N -1 0 355.438 3.583 50 0 FHAARM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)Cc2cccc3ccccc32)c1 ZINC000000753753 571068973 /nfs/dbraw/zinc/06/89/73/571068973.db2.gz FKHYMXOYKLDVMR-UHFFFAOYSA-N -1 0 353.443 3.504 50 0 FHAARM O=C([O-])C[C@H](Cc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004801843 571072350 /nfs/dbraw/zinc/07/23/50/571072350.db2.gz KLZJLKMHOSJFHN-ZDUSSCGKSA-N -1 0 351.324 3.978 50 0 FHAARM O=C1Nc2ccccc2Oc2ccc([N-]S(=O)(=O)c3cccs3)cc21 ZINC000008961187 571083730 /nfs/dbraw/zinc/08/37/30/571083730.db2.gz 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ZINC000009329629 571105218 /nfs/dbraw/zinc/10/52/18/571105218.db2.gz BOFHPPGXVQZTPU-UHFFFAOYSA-N -1 0 366.446 3.795 50 0 FHAARM CCc1ccc(OCCS(=O)(=O)[N-]c2nc3ccccc3s2)cc1 ZINC000070637853 571114169 /nfs/dbraw/zinc/11/41/69/571114169.db2.gz MOTUUTYOTKXFCQ-UHFFFAOYSA-N -1 0 362.476 3.679 50 0 FHAARM O=C([O-])c1cccc(NC(=O)CSc2cc(-c3ccccc3)ncn2)c1 ZINC000012000695 571114483 /nfs/dbraw/zinc/11/44/83/571114483.db2.gz XBUYGSXNYKQUCH-UHFFFAOYSA-N -1 0 365.414 3.573 50 0 FHAARM O=C([O-])c1ccc(NC(=O)CSc2cc(-c3ccccc3)ncn2)cc1 ZINC000012000700 571114554 /nfs/dbraw/zinc/11/45/54/571114554.db2.gz UOTKXOOWBKPHDO-UHFFFAOYSA-N -1 0 365.414 3.573 50 0 FHAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000009646294 571115952 /nfs/dbraw/zinc/11/59/52/571115952.db2.gz ZWPFDHNHYYFCLG-UHFFFAOYSA-N -1 0 361.444 3.797 50 0 FHAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)s2)n[nH]1 ZINC000009686554 571116665 /nfs/dbraw/zinc/11/66/65/571116665.db2.gz QQLWGMKCPHMLFD-UHFFFAOYSA-N -1 0 351.428 3.695 50 0 FHAARM O=C([O-])CCC(=O)N1N=C(c2ccsc2)C[C@H]1c1ccccc1Cl ZINC000058161662 571126391 /nfs/dbraw/zinc/12/63/91/571126391.db2.gz QXNJXKAHOSCRHU-HNNXBMFYSA-N -1 0 362.838 3.944 50 0 FHAARM Cc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])ccc1Oc1cccnc1 ZINC000058167312 571126924 /nfs/dbraw/zinc/12/69/24/571126924.db2.gz JLKJKYKEPAKRQA-SJORKVTESA-N -1 0 352.390 3.788 50 0 FHAARM COc1ccc(-c2cc(=O)n3nc(-c4ccc(Cl)cc4)[n-]c3n2)cc1 ZINC000253496265 571136073 /nfs/dbraw/zinc/13/60/73/571136073.db2.gz OANXHLVHDACXQX-UHFFFAOYSA-N -1 0 352.781 3.826 50 0 FHAARM O=C([O-])c1ccc([C@@H]2CC(=O)Nc3c2cnn3Cc2cccs2)cc1 ZINC000072402776 571139310 /nfs/dbraw/zinc/13/93/10/571139310.db2.gz CEEUDBKZJOPABY-AWEZNQCLSA-N -1 0 353.403 3.815 50 0 FHAARM O=S(=O)([N-]c1cc(-c2ccccc2)on1)c1ccc(F)c(Cl)c1 ZINC000075093573 571154526 /nfs/dbraw/zinc/15/45/26/571154526.db2.gz JQAPNTVKTUWUJI-UHFFFAOYSA-N -1 0 352.774 3.935 50 0 FHAARM Cc1ccc2c(c1)[C@](O)(C(F)(F)F)C(=O)N2C1C2CC3CC(C2)CC1C3 ZINC000004654020 571154654 /nfs/dbraw/zinc/15/46/54/571154654.db2.gz PLDWOXXQACUTOY-DWLQEXBCSA-N -1 0 365.395 3.916 50 0 FHAARM Cc1ccccc1-n1nnnc1C1(Nc2cccc(C(=O)[O-])c2)CCCC1 ZINC000004663565 571155983 /nfs/dbraw/zinc/15/59/83/571155983.db2.gz MOGLEBGEJCHLBB-UHFFFAOYSA-N -1 0 363.421 3.550 50 0 FHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(Cl)c4)c=3c2=O)cc1F ZINC000033114653 571156012 /nfs/dbraw/zinc/15/60/12/571156012.db2.gz IFBZORWBAZWKEA-JKSUJKDBSA-N -1 0 372.787 3.594 50 0 FHAARM CC(C)Oc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)Oc2ccccc2)cc1 ZINC000004689740 571161552 /nfs/dbraw/zinc/16/15/52/571161552.db2.gz UZZRBXJSRFVDES-HNAYVOBHSA-N -1 0 371.433 3.573 50 0 FHAARM CCCN1C(=O)S/C(=C\c2cccn2-c2cccc(C(=O)[O-])c2)C1=O ZINC000004688006 571161558 /nfs/dbraw/zinc/16/15/58/571161558.db2.gz UOCMGCYMTJLZCC-PTNGSMBKSA-N -1 0 356.403 3.622 50 0 FHAARM CCOC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CC[C@H](CC)C2 ZINC000005954127 571169339 /nfs/dbraw/zinc/16/93/39/571169339.db2.gz UKRSPEBFEYJXCA-NSHDSACASA-N -1 0 367.467 3.633 50 0 FHAARM Cc1nnc(-c2csc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)o1 ZINC000035527624 571181451 /nfs/dbraw/zinc/18/14/51/571181451.db2.gz LHLRHHIWUDKSNX-UHFFFAOYSA-N -1 0 355.828 3.561 50 0 FHAARM CSc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C)[nH]n3)oc2C)cc1 ZINC000075519184 571193302 /nfs/dbraw/zinc/19/33/02/571193302.db2.gz YNGMFVBUXJTVHY-UHFFFAOYSA-N -1 0 363.464 3.809 50 0 FHAARM Cc1nc(-c2cccc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)c2)cs1 ZINC000237810458 571193790 /nfs/dbraw/zinc/19/37/90/571193790.db2.gz FGKYYNLEGXQBEJ-CQSZACIVSA-N -1 0 358.463 3.836 50 0 FHAARM O=C([O-])c1ccc(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000006650734 571239346 /nfs/dbraw/zinc/23/93/46/571239346.db2.gz KTKVJBBSJFEJAK-UHFFFAOYSA-N -1 0 361.810 3.645 50 0 FHAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)c2csc(C(C)C)c2)C1 ZINC000091651507 571241785 /nfs/dbraw/zinc/24/17/85/571241785.db2.gz CBDXSXLRYOWCRF-GOSISDBHSA-N -1 0 353.484 3.605 50 0 FHAARM C[C@@H](Oc1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1)C(=O)[O-] ZINC000091695314 571242520 /nfs/dbraw/zinc/24/25/20/571242520.db2.gz SPAAJVUBWAYRDH-SNVBAGLBSA-N -1 0 354.328 3.685 50 0 FHAARM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3C)s2)o1 ZINC000065003935 571250046 /nfs/dbraw/zinc/25/00/46/571250046.db2.gz HAVCZVHGIJNAHY-UHFFFAOYSA-N -1 0 352.412 3.960 50 0 FHAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C)o3)s2)cc1 ZINC000065003815 571250095 /nfs/dbraw/zinc/25/00/95/571250095.db2.gz CXHCIKWMZFRUDJ-UHFFFAOYSA-N -1 0 364.448 3.911 50 0 FHAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C)s1)O[C@H](C)C2 ZINC000036398169 571253362 /nfs/dbraw/zinc/25/33/62/571253362.db2.gz QXFMOTFZPJAKID-SNVBAGLBSA-N -1 0 353.465 3.579 50 0 FHAARM CCn1c2ccsc2c([O-])c(C(=O)Nc2ccc(F)c(Cl)c2)c1=O ZINC000065215390 571256686 /nfs/dbraw/zinc/25/66/86/571256686.db2.gz UUNNOCSUDUBXSQ-UHFFFAOYSA-N -1 0 366.801 3.833 50 0 FHAARM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000007052680 571259438 /nfs/dbraw/zinc/25/94/38/571259438.db2.gz CPMAGTNCXOUTGU-UHFFFAOYSA-N -1 0 362.195 3.837 50 0 FHAARM COc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)c(OC)cc1Cl ZINC000007387461 571264949 /nfs/dbraw/zinc/26/49/49/571264949.db2.gz WWWPDAKNBGXGKH-UHFFFAOYSA-N -1 0 368.263 3.873 50 0 FHAARM COc1ccc(Nc2nc(C)cc(Nc3ccccc3C(=O)[O-])n2)cc1 ZINC000170621827 571268795 /nfs/dbraw/zinc/26/87/95/571268795.db2.gz VCFDBSBBOSNLPA-UHFFFAOYSA-N -1 0 350.378 3.979 50 0 FHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)CCc2ccccc2OC(F)(F)F)C1 ZINC000237949130 571277231 /nfs/dbraw/zinc/27/72/31/571277231.db2.gz LKDFUFXHIXKJAB-ZDUSSCGKSA-N -1 0 373.371 3.621 50 0 FHAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cnc(-c2ccsc2)s1 ZINC000237997754 571277336 /nfs/dbraw/zinc/27/73/36/571277336.db2.gz RPDHMIMBGQKLCA-GFCCVEGCSA-N -1 0 350.465 3.731 50 0 FHAARM COc1cc(C(=O)[O-])cc(NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)c1OC ZINC000095424831 571329522 /nfs/dbraw/zinc/32/95/22/571329522.db2.gz HQGNOERYWIIAIP-VXGBXAGGSA-N -1 0 361.419 3.514 50 0 FHAARM C[C@@H](Sc1ccccc1C(=O)NCc1cc2ccccc2o1)C(=O)[O-] ZINC000095424329 571329548 /nfs/dbraw/zinc/32/95/48/571329548.db2.gz APFHLHQRBQHEHL-GFCCVEGCSA-N -1 0 355.415 3.928 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2nccc(-c3ccccc3)n2)c(Cl)c1 ZINC000095944021 571332437 /nfs/dbraw/zinc/33/24/37/571332437.db2.gz ZGHWNVALJAJHLG-UHFFFAOYSA-N -1 0 359.838 3.906 50 0 FHAARM Cc1ccc(C(=O)N(C(=O)c2ccccc2C(=O)[O-])c2ccc(C)cn2)cc1 ZINC000096562126 571336189 /nfs/dbraw/zinc/33/61/89/571336189.db2.gz WKDJJUORDNYMGI-UHFFFAOYSA-N -1 0 374.396 3.884 50 0 FHAARM COc1ccccc1S(=O)(=O)[N-]c1cccnc1Oc1ccccc1 ZINC000055636587 571338189 /nfs/dbraw/zinc/33/81/89/571338189.db2.gz WJHOHUDVTYQEES-UHFFFAOYSA-N -1 0 356.403 3.683 50 0 FHAARM O=C1[N-]C(=O)/C(=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)N1 ZINC000028294833 571338962 /nfs/dbraw/zinc/33/89/62/571338962.db2.gz HMPYRHQGMVPSHQ-WDZFZDKYSA-N -1 0 356.687 3.799 50 0 FHAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ncnc3sc4c(c32)CCC4)c1 ZINC000002659377 571340269 /nfs/dbraw/zinc/34/02/69/571340269.db2.gz HODTTYLCMDYDDG-UHFFFAOYSA-N -1 0 359.476 3.598 50 0 FHAARM Cc1nn(Cc2ccc(C)cc2)c(C)c1[N-]S(=O)(=O)c1cccs1 ZINC000002779137 571340960 /nfs/dbraw/zinc/34/09/60/571340960.db2.gz BNODKDDTQNDHHX-UHFFFAOYSA-N -1 0 361.492 3.719 50 0 FHAARM C[C@@H]1CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(C2CCCC2)c3=O)C1 ZINC000002971676 571343119 /nfs/dbraw/zinc/34/31/19/571343119.db2.gz SNQCNUXXXOKQQB-CYBMUJFWSA-N -1 0 371.506 3.672 50 0 FHAARM CC1(C)CC(=O)c2ccc3c(c2O1)[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)O3 ZINC000217836394 571351045 /nfs/dbraw/zinc/35/10/45/571351045.db2.gz DFDRKQLRZUIJEW-CQSZACIVSA-N -1 0 366.369 3.570 50 0 FHAARM O=S(=O)([N-]c1cccc(-c2nc3cccnc3s2)c1)c1cccnc1 ZINC000004036374 571354395 /nfs/dbraw/zinc/35/43/95/571354395.db2.gz RYKVZCLGPJTFPE-UHFFFAOYSA-N -1 0 368.443 3.554 50 0 FHAARM O=C([O-])CCc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000008104968 571358946 /nfs/dbraw/zinc/35/89/46/571358946.db2.gz AHIWSKGZXJNNOG-UHFFFAOYSA-N -1 0 355.415 3.658 50 0 FHAARM CNC(=O)c1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000074061999 938991729 /nfs/dbraw/zinc/99/17/29/938991729.db2.gz HPUPGBQZNKCDRE-QINSGFPZSA-N -1 0 358.397 3.779 50 0 FHAARM COc1ccc(CN(C(=O)c2ccccc2C(=O)[O-])c2ccccn2)cc1 ZINC000003155367 939017572 /nfs/dbraw/zinc/01/75/72/939017572.db2.gz YCZWVPLBFDVJAH-UHFFFAOYSA-N -1 0 362.385 3.635 50 0 FHAARM O=C([O-])COc1ccc2cc(Br)ccc2c1Br ZINC000000752057 210268022 /nfs/dbraw/zinc/26/80/22/210268022.db2.gz HQAXQAFZOAMRCA-UHFFFAOYSA-N -1 0 360.001 3.828 50 0 FHAARM O=C([O-])C[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000622106 210252571 /nfs/dbraw/zinc/25/25/71/210252571.db2.gz ZNIGOUDZWCDFFC-AWEZNQCLSA-N -1 0 351.402 3.875 50 0 FHAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000000627293 210251385 /nfs/dbraw/zinc/25/13/85/210251385.db2.gz ALFBLQJAAFEFCE-HZPDHXFCSA-N -1 0 372.465 3.579 50 0 FHAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000013251072 210234462 /nfs/dbraw/zinc/23/44/62/210234462.db2.gz HQAAHEUQGZJGAN-UHFFFAOYSA-N -1 0 367.467 3.905 50 0 FHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)CCc2ccccc2Cl)CC1 ZINC000013186159 210142120 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CSCC[C@H](Nc1nc(-c2ccccc2)nc2ccccc21)C(=O)[O-] ZINC000001745085 219416805 /nfs/dbraw/zinc/41/68/05/219416805.db2.gz ZXIXLVOWWPTBCT-INIZCTEOSA-N -1 0 353.447 3.915 50 0 FHAARM C[C@H]1CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(C2CCCC2)c3=O)C1 ZINC000002971674 219479641 /nfs/dbraw/zinc/47/96/41/219479641.db2.gz SNQCNUXXXOKQQB-ZDUSSCGKSA-N -1 0 371.506 3.672 50 0 FHAARM C[C@H](C(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]21C ZINC000257349257 223074926 /nfs/dbraw/zinc/07/49/26/223074926.db2.gz MULSOMSXPSGJAM-CPAALCHWSA-N -1 0 364.526 3.698 50 0 FHAARM O=C([O-])c1ccccc1NC(=O)CSc1ccc(Br)cc1 ZINC000008391326 219861700 /nfs/dbraw/zinc/86/17/00/219861700.db2.gz CDLIBRQUNAUJEQ-UHFFFAOYSA-N -1 0 366.236 3.878 50 0 FHAARM Cc1ccc(O)c(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)c1 ZINC000063879202 212034934 /nfs/dbraw/zinc/03/49/34/212034934.db2.gz UCQRIQDIWXVHRB-UHFFFAOYSA-N -1 0 360.460 3.989 50 0 FHAARM Cc1nc2ccc(NC(=O)c3ccc4c(c3)[n-]c(=S)[nH]c4=O)cc2o1 ZINC000063809542 212033339 /nfs/dbraw/zinc/03/33/39/212033339.db2.gz DWLMSBFUSGHCRK-UHFFFAOYSA-N -1 0 352.375 3.700 50 0 FHAARM O=C([N-]O[C@H]1CCCCO1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000060333192 212019658 /nfs/dbraw/zinc/01/96/58/212019658.db2.gz GXJQFNOGFMGOAA-UXHICEINSA-N -1 0 365.433 3.568 50 0 FHAARM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000012605578 220013305 /nfs/dbraw/zinc/01/33/05/220013305.db2.gz XYJQIOJCCSMCRM-UHFFFAOYSA-N -1 0 373.352 3.523 50 0 FHAARM CN(C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)[C@H]1CCc2ccccc21 ZINC000058434334 212010575 /nfs/dbraw/zinc/01/05/75/212010575.db2.gz OJGVURDWRJIPGW-INIZCTEOSA-N -1 0 351.431 3.757 50 0 FHAARM CCC1=NO[C@@H](Cn2c3cc(C(=O)[O-])ccc3n(C3CCCCC3)c2=O)C1 ZINC000055088847 211935467 /nfs/dbraw/zinc/93/54/67/211935467.db2.gz VAUJWDFKSOZEOD-MRXNPFEDSA-N -1 0 371.437 3.561 50 0 FHAARM Cc1oc(-c2ccc(C(=O)[O-])cc2)nc1CS(=O)(=O)c1ccc(C)cc1 ZINC000049454363 211887908 /nfs/dbraw/zinc/88/79/08/211887908.db2.gz GDGJUQUFFDCUBS-UHFFFAOYSA-N -1 0 371.414 3.631 50 0 FHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000013257523 220062638 /nfs/dbraw/zinc/06/26/38/220062638.db2.gz PFNSNOUSJHFDFF-UHFFFAOYSA-N -1 0 361.800 3.738 50 0 FHAARM Cc1c2ccccc2sc1C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000014372212 220123692 /nfs/dbraw/zinc/12/36/92/220123692.db2.gz KEGXNQOJEJODCW-UHFFFAOYSA-N -1 0 369.471 3.780 50 0 FHAARM O=C([O-])CC1(CC(=O)Nc2ccc(N3CCCC3=O)cc2)CCCCC1 ZINC000029010385 211502974 /nfs/dbraw/zinc/50/29/74/211502974.db2.gz SPUHUWLZUAXUET-UHFFFAOYSA-N -1 0 358.438 3.567 50 0 FHAARM Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1F ZINC000023125655 211378519 /nfs/dbraw/zinc/37/85/19/211378519.db2.gz RWZNEVVUQCHAAZ-HZPDHXFCSA-N -1 0 372.787 3.594 50 0 FHAARM [O-]c1c([C@H](c2ccco2)N2CCCC2)sc2nc(-c3ccco3)nn12 ZINC000022852593 211364851 /nfs/dbraw/zinc/36/48/51/211364851.db2.gz OTXMSQHUESLPNB-ZDUSSCGKSA-N -1 0 356.407 3.535 50 0 FHAARM CCOc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)[O-])c3)no2)cc1 ZINC000021786651 211324576 /nfs/dbraw/zinc/32/45/76/211324576.db2.gz JNZJNKOSRTUKOG-UHFFFAOYSA-N -1 0 352.346 3.691 50 0 FHAARM O=C([O-])C1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc32)CC1 ZINC000020200082 211270747 /nfs/dbraw/zinc/27/07/47/211270747.db2.gz OZXCTMGBAHJWHU-UHFFFAOYSA-N -1 0 360.413 3.839 50 0 FHAARM CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)[O-])cc1 ZINC000020130245 211268317 /nfs/dbraw/zinc/26/83/17/211268317.db2.gz QAZNMAKWNHTODH-UHFFFAOYSA-N -1 0 374.245 3.658 50 0 FHAARM CCOC(=O)NC([N-]c1ccc(Cl)cn1)(C(F)(F)F)C(F)(F)F ZINC000019340327 211216443 /nfs/dbraw/zinc/21/64/43/211216443.db2.gz KKPUCHCTZQIYGK-UHFFFAOYSA-N -1 0 365.661 3.714 50 0 FHAARM CCSc1nn2c([n-]1)nc(C)c(Cc1cccc3ccccc31)c2=O ZINC000018240889 211195174 /nfs/dbraw/zinc/19/51/74/211195174.db2.gz QCPZPENXUOYBIL-UHFFFAOYSA-N -1 0 350.447 3.994 50 0 FHAARM Cc1ccc(-c2csc(NC(=O)C[C@H](C)CC(=O)[O-])c2C(N)=O)cc1C ZINC000017076616 211179996 /nfs/dbraw/zinc/17/99/96/211179996.db2.gz BCDZOBYBJXMTRN-JTQLQIEISA-N -1 0 374.462 3.570 50 0 FHAARM CCOC(=O)c1sc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1C ZINC000016481899 211160932 /nfs/dbraw/zinc/16/09/32/211160932.db2.gz VJFLYDHSMBYBRB-UHFFFAOYSA-N -1 0 353.440 3.597 50 0 FHAARM Cc1ccccc1CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCCCC1 ZINC000016579700 211163447 /nfs/dbraw/zinc/16/34/47/211163447.db2.gz MBFKAWZJQMCCFW-UHFFFAOYSA-N -1 0 372.490 3.563 50 0 FHAARM O=C([O-])c1c2c(nc3ccccc31)[C@H](NC(=O)c1ccccc1)CS2 ZINC000014988596 211111056 /nfs/dbraw/zinc/11/10/56/211111056.db2.gz NYEWZVLCMDPQKE-CQSZACIVSA-N -1 0 350.399 3.510 50 0 FHAARM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Br)cn2)cc1 ZINC000013744515 211055889 /nfs/dbraw/zinc/05/58/89/211055889.db2.gz SKOOCTKOLQWHPZ-UHFFFAOYSA-N -1 0 369.284 3.942 50 0 FHAARM Cc1ccc([S@](C)(=O)=NC(=O)[N-]C(=O)c2c(F)cccc2Cl)cc1 ZINC000013466099 211034642 /nfs/dbraw/zinc/03/46/42/211034642.db2.gz ORUAIYLQGZFKLH-DEOSSOPVSA-N -1 0 368.817 3.794 50 0 FHAARM COc1ccc(NC(=O)[C@@H](C)Sc2ccccc2C(=O)[O-])cc1OC ZINC000012978308 211013936 /nfs/dbraw/zinc/01/39/36/211013936.db2.gz BWYJWJPHDPAGSZ-LLVKDONJSA-N -1 0 361.419 3.521 50 0 FHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2cc(C)[nH]n2)s1 ZINC000009686581 210846908 /nfs/dbraw/zinc/84/69/08/210846908.db2.gz CPPCWAKIYWDFDL-UHFFFAOYSA-N -1 0 363.464 3.564 50 0 FHAARM Cc1nn(Cc2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)o2)c(C)c1Cl ZINC000005175535 210605434 /nfs/dbraw/zinc/60/54/34/210605434.db2.gz OTKGWKVLYKLFET-UHFFFAOYSA-N -1 0 373.796 3.745 50 0 FHAARM O=C([O-])c1cnn(-c2nc(-c3cccc(F)c3)cs2)c1C(F)(F)F ZINC000004092710 210508649 /nfs/dbraw/zinc/50/86/49/210508649.db2.gz AMLFBAQPLVTJGF-UHFFFAOYSA-N -1 0 357.288 3.852 50 0 FHAARM O=C([O-])C[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000003626978 210490096 /nfs/dbraw/zinc/49/00/96/210490096.db2.gz HGLWQYHYQQHHKM-HNNXBMFYSA-N -1 0 368.216 3.704 50 0 FHAARM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 ZINC000002998012 210443748 /nfs/dbraw/zinc/44/37/48/210443748.db2.gz MKJIMEYCQDJTJO-UHFFFAOYSA-N -1 0 356.447 3.943 50 0 FHAARM CN(C(=O)Cc1c2ccccc2n(C)c1C(=O)[O-])c1ccc(Cl)cc1 ZINC000002456260 210399526 /nfs/dbraw/zinc/39/95/26/210399526.db2.gz CUBSSUDYHVHFRE-UHFFFAOYSA-N -1 0 356.809 3.735 50 0 FHAARM O=C(NC1=NC(=O)[C@@](F)(C(F)(F)F)S1)Nc1ccc2ccccc2c1 ZINC000002282718 210388368 /nfs/dbraw/zinc/38/83/68/210388368.db2.gz SGORFDQCBSUHEF-AWEZNQCLSA-N -1 0 371.315 3.819 50 0 FHAARM C[C@@H]1CCc2sc3ncn4nc(-c5ccccc5C(=O)[O-])nc4c3c2C1 ZINC000002235553 210385118 /nfs/dbraw/zinc/38/51/18/210385118.db2.gz RVEZSBPUPFHKMS-SNVBAGLBSA-N -1 0 364.430 3.829 50 0 FHAARM O=C([O-])c1ccc(OC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000002368654 210393802 /nfs/dbraw/zinc/39/38/02/210393802.db2.gz GEKAWNLLVQPPQC-MRXNPFEDSA-N -1 0 361.397 3.933 50 0 FHAARM Cc1c(OCc2cccc(F)c2)ccc2c(C)c(CC(=O)[O-])c(=O)oc12 ZINC000002148665 210382194 /nfs/dbraw/zinc/38/21/94/210382194.db2.gz KWGHOPKGQKLTEJ-UHFFFAOYSA-N -1 0 356.349 3.755 50 0 biogenic FHAARM COc1c(Cl)c(Cl)ccc1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000001430704 210353125 /nfs/dbraw/zinc/35/31/25/210353125.db2.gz ZFANUXYTCQVSRJ-UHFFFAOYSA-N -1 0 372.233 3.679 50 0 FHAARM O=S1(=O)[N-]C(SCc2ccc(Cl)cc2)=Nc2ccc(F)cc21 ZINC000009762024 210347278 /nfs/dbraw/zinc/34/72/78/210347278.db2.gz RTXZRUDJCMDZFJ-UHFFFAOYSA-N -1 0 356.831 3.883 50 0 FHAARM Cc1c(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cccc1C(=O)[O-] ZINC000001160110 210327912 /nfs/dbraw/zinc/32/79/12/210327912.db2.gz PBEKRJLKIPJJMV-UHFFFAOYSA-N -1 0 356.447 3.943 50 0 FHAARM O=C([O-])c1ccccc1NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000001141882 210324713 /nfs/dbraw/zinc/32/47/13/210324713.db2.gz DRCVVRJXBOQMAZ-UHFFFAOYSA-N -1 0 374.396 3.818 50 0 FHAARM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1 ZINC000001067249 210311910 /nfs/dbraw/zinc/31/19/10/210311910.db2.gz HKBGCOAJXWXEHM-UHFFFAOYSA-N -1 0 362.451 3.578 50 0 FHAARM CCOc1ccc(NC(=O)[C@H](Cc2ccc(C)cc2)[C@H](C)C(=O)[O-])cc1 ZINC000001017710 210301270 /nfs/dbraw/zinc/30/12/70/210301270.db2.gz LIYPMTXARPFBDR-HNAYVOBHSA-N -1 0 355.434 3.912 50 0 FHAARM COC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000001046852 210308001 /nfs/dbraw/zinc/30/80/01/210308001.db2.gz WJIAPRHOLCZPEE-UHFFFAOYSA-N -1 0 360.218 3.581 50 0 FHAARM CSc1nsc(SC)c1C(=O)[N-]C(=O)OCc1ccccc1 ZINC000001035031 210305054 /nfs/dbraw/zinc/30/50/54/210305054.db2.gz QHFRCBGESPJDKU-UHFFFAOYSA-N -1 0 354.478 3.654 50 0 FHAARM O=C([O-])c1ccc(Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 ZINC000000955619 210295252 /nfs/dbraw/zinc/29/52/52/210295252.db2.gz DCPAKFMFCBOWRO-UHFFFAOYSA-N -1 0 362.410 3.872 50 0 FHAARM Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000064947014 221156924 /nfs/dbraw/zinc/15/69/24/221156924.db2.gz SONUPCXASWATEF-UHFFFAOYSA-N -1 0 359.426 3.737 50 0 FHAARM CCc1ccccc1[N-]S(=O)(=O)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000064947280 221157073 /nfs/dbraw/zinc/15/70/73/221157073.db2.gz SYSOVXZWKWDLIW-UHFFFAOYSA-N -1 0 373.453 3.991 50 0 FHAARM Cc1nnc(-c2cc([N-]S(=O)(=O)c3cccc(Cl)c3)c(C)s2)o1 ZINC000065149425 221172728 /nfs/dbraw/zinc/17/27/28/221172728.db2.gz HYVMFPFNUBESOK-UHFFFAOYSA-N -1 0 369.855 3.869 50 0 FHAARM Cc1ccc([N-]S(=O)(=O)c2cn(CC(C)C)c3ncccc23)cc1F ZINC000065242293 221186070 /nfs/dbraw/zinc/18/60/70/221186070.db2.gz SPFNXJINCMHDMT-UHFFFAOYSA-N -1 0 361.442 3.941 50 0 FHAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C(C)C)o3)o2)c(F)c1 ZINC000065246310 221187112 /nfs/dbraw/zinc/18/71/12/221187112.db2.gz GMEBIYLNNQATOA-UHFFFAOYSA-N -1 0 365.386 3.701 50 0 FHAARM Cc1ccc(-c2noc(-c3c([O-])c4cccc(Cl)c4[nH]c3=O)n2)cc1 ZINC000065248614 221187419 /nfs/dbraw/zinc/18/74/19/221187419.db2.gz IQXRBEBXIPSJKI-UHFFFAOYSA-N -1 0 353.765 3.913 50 0 FHAARM Cc1c2ccccc2oc1[C@@H]1CC(=O)Nc2cc(OCC(=O)[O-])ccc21 ZINC000065464097 221223401 /nfs/dbraw/zinc/22/34/01/221223401.db2.gz YRLSRBFPNRUQMG-OAHLLOKOSA-N -1 0 351.358 3.679 50 0 FHAARM O=C([O-])C1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc32)CC1 ZINC000071707939 136139684 /nfs/dbraw/zinc/13/96/84/136139684.db2.gz OYDWLLXEFDZGMC-UHFFFAOYSA-N -1 0 370.840 3.525 50 0 FHAARM O=C([O-])[C@@]1(CCOc2ccccc2)CCCN(c2nccc3occc32)C1 ZINC000071750003 136140173 /nfs/dbraw/zinc/14/01/73/136140173.db2.gz GSJMQZYSTGBRND-OAQYLSRUSA-N -1 0 366.417 3.968 50 0 FHAARM CC1(C)CCc2cc(CC(=O)NCC3(CC(=O)[O-])CCCCC3)ccc2O1 ZINC000096230903 222091470 /nfs/dbraw/zinc/09/14/70/222091470.db2.gz VWHKXQWETWSZCE-UHFFFAOYSA-N -1 0 373.493 3.874 50 0 FHAARM O=C([O-])c1cc(F)ccc1NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000096715733 222127255 /nfs/dbraw/zinc/12/72/55/222127255.db2.gz XFNRDVGXBCPMKE-FPLPWBNLSA-N -1 0 355.774 3.590 50 0 FHAARM O=C([O-])c1ccc(F)c(NS(=O)(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC000096993482 222147421 /nfs/dbraw/zinc/14/74/21/222147421.db2.gz MVXMTGSFPVOYKT-FPLPWBNLSA-N -1 0 355.774 3.590 50 0 FHAARM O=C([O-])CCn1c(=O)c2ccccc2nc1/C=C\c1cccc(Cl)c1 ZINC000097035255 222153747 /nfs/dbraw/zinc/15/37/47/222153747.db2.gz XEFMXUQJJLEPED-HJWRWDBZSA-N -1 0 354.793 3.695 50 0 FHAARM CC[C@@H](C)Cn1c(C)c2c(cc1=O)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000100161788 222238449 /nfs/dbraw/zinc/23/84/49/222238449.db2.gz GAEWOOZKUROAPV-LLVKDONJSA-N -1 0 368.462 3.809 50 0 FHAARM Cc1c2c(cc(=O)n1CCC(C)C)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000100429830 222243652 /nfs/dbraw/zinc/24/36/52/222243652.db2.gz SFPZULCFNFVJKB-UHFFFAOYSA-N -1 0 368.462 3.809 50 0 FHAARM O=C(C[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(I)cc1 ZINC000100449849 222244039 /nfs/dbraw/zinc/24/40/39/222244039.db2.gz QNWLQUZPADJNLK-KLPPZKSPSA-N -1 0 372.202 3.755 50 0 FHAARM CCCCCn1c(=O)c(C(=O)Nc2ccc(O)cc2)c([O-])c2ccccc21 ZINC000100498511 222244788 /nfs/dbraw/zinc/24/47/88/222244788.db2.gz JYHSQTQIKNIORE-UHFFFAOYSA-N -1 0 366.417 3.855 50 0 FHAARM Cc1nc(-n2[n-]c(C)c(CC(=O)Nc3ccc(C)cc3C)c2=O)sc1C ZINC000101831561 222285935 /nfs/dbraw/zinc/28/59/35/222285935.db2.gz GUZBTDUPROOGFM-UHFFFAOYSA-N -1 0 370.478 3.758 50 0 FHAARM Cc1ccc(NS(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)[C@H]3C)cc1C ZINC000102592152 222301281 /nfs/dbraw/zinc/30/12/81/222301281.db2.gz BKGFUJJZDBHJDT-AWEZNQCLSA-N -1 0 370.474 3.501 50 0 FHAARM CO[C@H](C)c1cccc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])c1 ZINC000104887076 222361947 /nfs/dbraw/zinc/36/19/47/222361947.db2.gz AKNZEEXTOAGCKK-GFCCVEGCSA-N -1 0 355.369 3.677 50 0 FHAARM C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@]2(O)CCC(=O)[O-] ZINC000252445503 525348964 /nfs/dbraw/zinc/34/89/64/525348964.db2.gz QIZQZYDEIVNNAA-LBCMOLISSA-N -1 0 362.510 3.906 50 0 FHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000003369453 568090487 /nfs/dbraw/zinc/09/04/87/568090487.db2.gz LQBGUSCYKVMYEY-UHFFFAOYSA-N -1 0 370.268 3.957 50 0 FHAARM COC(=O)c1cccc(C)c1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000032937594 568428867 /nfs/dbraw/zinc/42/88/67/568428867.db2.gz PZTZBMBOHIBNEA-UHFFFAOYSA-N -1 0 374.245 3.889 50 0 FHAARM CCc1c(C)scc1C(=O)N1C[C@@H](c2ccccc2OC)[C@H](C(=O)[O-])C1 ZINC000091988030 570443957 /nfs/dbraw/zinc/44/39/57/570443957.db2.gz UPYGDLDZXVROJV-JKSUJKDBSA-N -1 0 373.474 3.568 50 0 FHAARM Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c(Cl)cc1Cl ZINC000095946113 570471801 /nfs/dbraw/zinc/47/18/01/570471801.db2.gz BGHMZRKVIIMHKA-UHFFFAOYSA-N -1 0 360.218 3.801 50 0 FHAARM Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)[O-])cc1C ZINC000002830389 570534910 /nfs/dbraw/zinc/53/49/10/570534910.db2.gz JPVOEMZKWLDLDA-UHFFFAOYSA-N -1 0 362.838 3.782 50 0 FHAARM COc1ccc(-c2nc(C(=O)N3CCCC[C@H]3CCC(=O)[O-])cs2)cc1 ZINC000237460738 570560012 /nfs/dbraw/zinc/56/00/12/570560012.db2.gz HBIKQEJXWXFUFE-AWEZNQCLSA-N -1 0 374.462 3.678 50 0 FHAARM Cc1nc(-c2cc(C(=O)N3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)co2)cs1 ZINC000237690865 570571792 /nfs/dbraw/zinc/57/17/92/570571792.db2.gz JMLIWWBKUCCSGQ-UGFHNGPFSA-N -1 0 360.435 3.569 50 0 FHAARM Cc1ccccc1-c1nc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cs1 ZINC000237701715 570573210 /nfs/dbraw/zinc/57/32/10/570573210.db2.gz DYKARHGGIYGEIL-CQSZACIVSA-N -1 0 358.463 3.836 50 0 FHAARM Cc1ccc(NC(=O)[C@@H]2CC(Cl)=CC[C@@H]2C(=O)[O-])c(Br)c1 ZINC000004178834 570580375 /nfs/dbraw/zinc/58/03/75/570580375.db2.gz MLWWPMLLTDLSTD-WDEREUQCSA-N -1 0 372.646 3.930 50 0 FHAARM COc1cccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3cccs3)C2)c1 ZINC000005069620 570581146 /nfs/dbraw/zinc/58/11/46/570581146.db2.gz MXVLEXQTLBBJGN-MRXNPFEDSA-N -1 0 372.446 3.689 50 0 FHAARM CC1=C(C)C[C@H](C(=O)Nc2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000004313803 570584676 /nfs/dbraw/zinc/58/46/76/570584676.db2.gz XAZMYHWJZOAHHV-UONOGXRCSA-N -1 0 352.228 3.835 50 0 FHAARM Cc1cccc(N2C(=O)S/C(=C\c3ccc(OCC(=O)[O-])cc3)C2=O)c1 ZINC000004357121 570586928 /nfs/dbraw/zinc/58/69/28/570586928.db2.gz LKLQMPGWVZBHBF-YBEGLDIGSA-N -1 0 369.398 3.699 50 0 FHAARM CC(C)[C@H](C(=O)[O-])N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000004521492 570594932 /nfs/dbraw/zinc/59/49/32/570594932.db2.gz YCXXXPZNQXXRIG-LJQANCHMSA-N -1 0 353.418 3.977 50 0 FHAARM O=C([O-])c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000004614477 570597728 /nfs/dbraw/zinc/59/77/28/570597728.db2.gz DTLRCAQTONHFBD-FSPLSTOPSA-N -1 0 351.737 3.957 50 0 FHAARM Cc1c(Cl)c(C)c(Br)c(OCC(=O)[O-])c1Br ZINC000004682323 570600613 /nfs/dbraw/zinc/60/06/13/570600613.db2.gz NGPHEXOBZOOVNC-UHFFFAOYSA-N -1 0 372.440 3.945 50 0 FHAARM Cc1cccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2Cl)c1 ZINC000004727618 570603701 /nfs/dbraw/zinc/60/37/01/570603701.db2.gz OOZLFGINZXVTDL-UHFFFAOYSA-N -1 0 364.854 3.576 50 0 FHAARM CC1(C)[C@H](C(=O)[O-])CC[C@@]1(C)C(=O)Nc1cccc(Br)c1 ZINC000005482292 570628307 /nfs/dbraw/zinc/62/83/07/570628307.db2.gz AIBXYGVUBITZEX-LRDDRELGSA-N -1 0 354.244 3.915 50 0 FHAARM Cc1cccc(C[C@H](C(=O)Nc2cccc3ccccc32)c2nnn[n-]2)c1 ZINC000005519756 570629490 /nfs/dbraw/zinc/62/94/90/570629490.db2.gz FZMVMQJESQZHQI-SFHVURJKSA-N -1 0 357.417 3.626 50 0 FHAARM O=C(Nc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000005184548 570630055 /nfs/dbraw/zinc/63/00/55/570630055.db2.gz VIPPAPRFFRJXFD-UHFFFAOYSA-N -1 0 352.415 3.740 50 0 FHAARM Cc1ccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2ccco2)cc1C ZINC000005198484 570631963 /nfs/dbraw/zinc/63/19/63/570631963.db2.gz HFMSOIVCNGAFOR-UHFFFAOYSA-N -1 0 359.385 3.657 50 0 FHAARM Cc1ccc(N2C(=O)S[C@@H](Nc3ccc(C(=O)[O-])cc3)C2=O)cc1C ZINC000002709847 570665443 /nfs/dbraw/zinc/66/54/43/570665443.db2.gz VQWJATGQWFIUOU-OAHLLOKOSA-N -1 0 356.403 3.640 50 0 FHAARM CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)/C=C/C(=O)[O-] ZINC000002749571 570670822 /nfs/dbraw/zinc/67/08/22/570670822.db2.gz LIJLQNVPIMNUDG-BZYZDCJZSA-N -1 0 373.430 3.656 50 0 FHAARM Cc1nn(Cc2ccccc2C)c(C)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000002767834 570672706 /nfs/dbraw/zinc/67/27/06/570672706.db2.gz HIJIVXUBFIVRTI-UHFFFAOYSA-N -1 0 373.453 3.797 50 0 FHAARM Cc1c([N-]S(=O)(=O)c2ccc(F)cc2Cl)cnn1-c1ccccc1 ZINC000152597884 570678175 /nfs/dbraw/zinc/67/81/75/570678175.db2.gz ZSIYFSSPBJSKTL-UHFFFAOYSA-N -1 0 365.817 3.774 50 0 FHAARM CC[C@@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000005655750 570684142 /nfs/dbraw/zinc/68/41/42/570684142.db2.gz ZBVPDSOQOHYJRI-SECBINFHSA-N -1 0 366.266 3.645 50 0 FHAARM COc1cccc2onc([N-]S(=O)(=O)c3ccc4ccccc4c3)c21 ZINC000012340933 570738321 /nfs/dbraw/zinc/73/83/21/570738321.db2.gz FPHMOOUNFRDPBP-UHFFFAOYSA-N -1 0 354.387 3.790 50 0 FHAARM O=C([N-]c1c(F)c(F)c(F)c(F)c1F)c1ccc(Br)o1 ZINC000002765345 570768627 /nfs/dbraw/zinc/76/86/27/570768627.db2.gz HCSIHBCKUQUASJ-UHFFFAOYSA-N -1 0 356.044 3.990 50 0 FHAARM C[C@H]1Cc2cccc3c2n1c(=O)c(C(=O)Nc1ccc(Cl)cc1)c3[O-] ZINC000200459508 570771801 /nfs/dbraw/zinc/77/18/01/570771801.db2.gz QJOAXVQPVZMEOE-JTQLQIEISA-N -1 0 354.793 3.730 50 0 FHAARM C[C@H]1Cc2cccc3c2n1c(=O)c(C(=O)Nc1cccc(Cl)c1)c3[O-] ZINC000200459427 570771877 /nfs/dbraw/zinc/77/18/77/570771877.db2.gz YVFGGNANECDCHR-JTQLQIEISA-N -1 0 354.793 3.730 50 0 FHAARM O=C([O-])CC1(CC(=O)Nc2ccccc2C(=O)N2CCCC2)CCCCC1 ZINC000032739803 570789462 /nfs/dbraw/zinc/78/94/62/570789462.db2.gz MSQWDDZKFYLBIE-UHFFFAOYSA-N -1 0 372.465 3.676 50 0 FHAARM CC(C)N(C(=O)CSc1nc(=O)c2sccc2[n-]1)c1ccccc1 ZINC000032765483 570796533 /nfs/dbraw/zinc/79/65/33/570796533.db2.gz UTXQFJIWKHMUEQ-UHFFFAOYSA-N -1 0 359.476 3.518 50 0 FHAARM COc1cccc(-c2ccc3nc(N4CCC(C(=O)[O-])CC4)sc3n2)c1 ZINC000169676730 570801277 /nfs/dbraw/zinc/80/12/77/570801277.db2.gz ORVQHEUBNVAGLV-UHFFFAOYSA-N -1 0 369.446 3.668 50 0 FHAARM CCn1c(=O)c(-c2nc(-c3cccc(F)c3)no2)c([O-])c2ccc(F)cc21 ZINC000101724757 570822856 /nfs/dbraw/zinc/82/28/56/570822856.db2.gz GHKOKPSJTPRKGI-UHFFFAOYSA-N -1 0 369.327 3.722 50 0 FHAARM O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000013300869 570825781 /nfs/dbraw/zinc/82/57/81/570825781.db2.gz OXHNHIZCTXIDGW-UHFFFAOYSA-N -1 0 371.439 3.818 50 0 FHAARM C[C@H](OC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1ccc(Cl)cc1 ZINC000102754163 570838295 /nfs/dbraw/zinc/83/82/95/570838295.db2.gz VOULWPRZEYFADL-JTQLQIEISA-N -1 0 374.849 3.794 50 0 FHAARM CCOc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1ccccc1C ZINC000004577218 570843505 /nfs/dbraw/zinc/84/35/05/570843505.db2.gz JTUAJTCMBOYKFB-LPHOPBHVSA-N -1 0 373.474 3.761 50 0 FHAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004581090 570849508 /nfs/dbraw/zinc/84/95/08/570849508.db2.gz DCHDTVPLHXJQSQ-NAVXVDNBSA-N -1 0 371.477 3.934 50 0 FHAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)ccc1Cl ZINC000047318107 570885795 /nfs/dbraw/zinc/88/57/95/570885795.db2.gz HWUOFBHQIJZNQS-UHFFFAOYSA-N -1 0 364.181 3.632 50 0 FHAARM CC(=O)Nc1ccc(F)c(NC(=O)CC2(C(=O)[O-])CCCCCC2)c1 ZINC000044830422 570899456 /nfs/dbraw/zinc/89/94/56/570899456.db2.gz XITIIANNIOLFOA-UHFFFAOYSA-N -1 0 350.390 3.538 50 0 FHAARM C[Si](C)(C)CCOCn1cc(C(=O)[O-])c2c1nc(Cl)nc2Cl ZINC000202097772 570905679 /nfs/dbraw/zinc/90/56/79/570905679.db2.gz DJHSACMZRPDUOL-UHFFFAOYSA-N -1 0 362.289 3.749 50 0 FHAARM O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000024079634 570971077 /nfs/dbraw/zinc/97/10/77/570971077.db2.gz BFQQJLUPJKQVRP-UHFFFAOYSA-N -1 0 358.825 3.537 50 0 FHAARM O=C([O-])c1ccc(-n2c(=O)c3c([nH]c2=S)sc2c3CCCC2)cc1 ZINC000027750500 571020694 /nfs/dbraw/zinc/02/06/94/571020694.db2.gz CFRQEAHWHYXLIJ-UHFFFAOYSA-N -1 0 358.444 3.687 50 0 FHAARM COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000028794576 571034669 /nfs/dbraw/zinc/03/46/69/571034669.db2.gz WSNWKRBBEBIVJG-UHFFFAOYSA-N -1 0 373.352 3.601 50 0 FHAARM O=C([O-])CCCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccc(Cl)c1 ZINC000225499762 571040610 /nfs/dbraw/zinc/04/06/10/571040610.db2.gz NBGQIBZAMQXZAW-HNNXBMFYSA-N -1 0 360.797 3.866 50 0 FHAARM Cc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3cccs3)C2)cc1 ZINC000225507704 571041156 /nfs/dbraw/zinc/04/11/56/571041156.db2.gz LCOVGWMNKHXKNK-MRXNPFEDSA-N -1 0 356.447 3.989 50 0 FHAARM COc1ccc(OC)c([C@H]2CCCN2Cc2nc(=O)c3sccc3[n-]2)c1 ZINC000012684448 571044362 /nfs/dbraw/zinc/04/43/62/571044362.db2.gz LJEDHFGHIATEOY-OAHLLOKOSA-N -1 0 371.462 3.751 50 0 FHAARM Cc1ccc(-n2c(COc3ccccc3)nnc2S[C@@H](C)C(=O)[O-])cc1 ZINC000004126782 571049602 /nfs/dbraw/zinc/04/96/02/571049602.db2.gz BMEMZYSOCPZPAR-AWEZNQCLSA-N -1 0 369.446 3.720 50 0 FHAARM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)cc1Cl ZINC000072301171 571054625 /nfs/dbraw/zinc/05/46/25/571054625.db2.gz SYFZZDPZDMQLNK-UHFFFAOYSA-N -1 0 362.234 3.817 50 0 FHAARM COc1c(Br)cc2c(C)c(C(=O)[O-])oc2c1Br ZINC000000754150 571068813 /nfs/dbraw/zinc/06/88/13/571068813.db2.gz KCROCFSAZNEFKQ-UHFFFAOYSA-N -1 0 363.989 3.973 50 0 FHAARM CCOc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[O-])cc3n2)cc1 ZINC000034928919 571075331 /nfs/dbraw/zinc/07/53/31/571075331.db2.gz XYFLXQAXLOETNS-UHFFFAOYSA-N -1 0 351.284 3.512 50 0 FHAARM O=C([O-])c1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2cc(F)cc(F)c2)cc1 ZINC000040282948 571092967 /nfs/dbraw/zinc/09/29/67/571092967.db2.gz YDCGJZPFUDQUAS-HNNXBMFYSA-N -1 0 369.327 3.972 50 0 FHAARM CCn1c(=O)c(C(=O)Nc2ccc(C)c(Cl)c2)c([O-])c2ccccc21 ZINC000012415327 571096606 /nfs/dbraw/zinc/09/66/06/571096606.db2.gz FMUPLCZAYDCGJJ-UHFFFAOYSA-N -1 0 356.809 3.941 50 0 FHAARM O=C([N-]c1nnc(SCc2ccc(Cl)cc2)s1)c1csnn1 ZINC000009250861 571102516 /nfs/dbraw/zinc/10/25/16/571102516.db2.gz NAZKNBZLBDMTAC-UHFFFAOYSA-N -1 0 369.884 3.588 50 0 FHAARM O=C([O-])CC[C@H]1CCCN(C(=O)CCc2ccc(-c3ccccc3)o2)C1 ZINC000238007531 571106564 /nfs/dbraw/zinc/10/65/64/571106564.db2.gz JRBSFKLQJQMMGV-MRXNPFEDSA-N -1 0 355.434 3.983 50 0 FHAARM O=C([O-])C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004601607 571107740 /nfs/dbraw/zinc/10/77/40/571107740.db2.gz VBNARKKLDZAPGL-OAHLLOKOSA-N -1 0 352.217 3.868 50 0 FHAARM Cn1cccc1Sc1nc(-c2ccccc2)[n-]c(=O)c1C(F)(F)F ZINC000009461191 571109870 /nfs/dbraw/zinc/10/98/70/571109870.db2.gz DAPPDFFZPSZWSR-UHFFFAOYSA-N -1 0 351.353 3.945 50 0 FHAARM Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000009576982 571113712 /nfs/dbraw/zinc/11/37/12/571113712.db2.gz JOFHVKWAPGLGFB-QGZVFWFLSA-N -1 0 361.401 3.661 50 0 FHAARM O=C([O-])[C@@H]1C[C@]12CCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000306972994 571114236 /nfs/dbraw/zinc/11/42/36/571114236.db2.gz VAHCWDPQONURLI-UGKGYDQZSA-N -1 0 363.413 3.732 50 0 FHAARM COC(=O)c1cc(NC(=O)CC2(CC(=O)[O-])CCCCC2)ccc1Cl ZINC000071798137 571125884 /nfs/dbraw/zinc/12/58/84/571125884.db2.gz HSKSPLIGBVGNSE-UHFFFAOYSA-N -1 0 367.829 3.880 50 0 FHAARM O=C([O-])[C@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)c1ccccc1 ZINC000002976508 571127965 /nfs/dbraw/zinc/12/79/65/571127965.db2.gz LGGPJVGPOUSKLY-LJQANCHMSA-N -1 0 350.370 3.877 50 0 FHAARM C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000252452730 571131049 /nfs/dbraw/zinc/13/10/49/571131049.db2.gz YQJBSFFFZODPPB-HNNXBMFYSA-N -1 0 359.429 3.759 50 0 FHAARM CCc1ccc([C@@H]2COCCN2C(=O)c2ccc3[n-]c(=S)oc3c2)o1 ZINC000073827057 571139105 /nfs/dbraw/zinc/13/91/05/571139105.db2.gz BXSYPVQNNKRFBD-AWEZNQCLSA-N -1 0 358.419 3.859 50 0 FHAARM CC(=O)c1c(F)c(F)c(C2=C([O-])OC3(CCCCC3)OC2=O)c(F)c1F ZINC000526058550 571140107 /nfs/dbraw/zinc/14/01/07/571140107.db2.gz CGEXFPZQEDPXSL-UHFFFAOYSA-N -1 0 374.286 3.906 50 0 FHAARM CC(C)Oc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)Oc2ccccc2)cc1 ZINC000004689741 571161585 /nfs/dbraw/zinc/16/15/85/571161585.db2.gz UZZRBXJSRFVDES-KXBFYZLASA-N -1 0 371.433 3.573 50 0 FHAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000237046696 571167386 /nfs/dbraw/zinc/16/73/86/571167386.db2.gz WVGCWWSXWHIMBC-RBUKOAKNSA-N -1 0 353.418 3.511 50 0 FHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000012507995 571173115 /nfs/dbraw/zinc/17/31/15/571173115.db2.gz BRNLHPLRXABINV-UHFFFAOYSA-N -1 0 361.341 3.785 50 0 FHAARM O=c1nc(CSc2nnc3sc4ccccc4n23)[n-]c2ccsc21 ZINC000006315983 571177597 /nfs/dbraw/zinc/17/75/97/571177597.db2.gz VSPPUOFHUHEUDG-UHFFFAOYSA-N -1 0 371.472 3.534 50 0 FHAARM CCOc1cc(C(=O)N2CCOc3ccc(C)cc3C2)cc(Cl)c1O ZINC000578564477 571182495 /nfs/dbraw/zinc/18/24/95/571182495.db2.gz ZSSDIWXBGIIMMD-UHFFFAOYSA-N -1 0 361.825 3.788 50 0 FHAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000006402451 571184179 /nfs/dbraw/zinc/18/41/79/571184179.db2.gz SIBIDPBYKKSKCA-ZYKFHVCXSA-N -1 0 364.445 3.748 50 0 FHAARM CCCc1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)cc1 ZINC000012583488 571186409 /nfs/dbraw/zinc/18/64/09/571186409.db2.gz DIZCCSPGGNAOFA-UHFFFAOYSA-N -1 0 353.447 3.897 50 0 FHAARM Cc1nc(C(C)C)sc1C(=O)N1CC[C@@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000072473480 571198744 /nfs/dbraw/zinc/19/87/44/571198744.db2.gz IKBWYJPQHFJDRF-HNNXBMFYSA-N -1 0 372.490 3.978 50 0 FHAARM Cc1cc(C)c(C(=O)CCCC(=O)Nc2n[nH]c(C(F)(F)F)n2)c(C)c1 ZINC000054000955 571199270 /nfs/dbraw/zinc/19/92/70/571199270.db2.gz VLZWEYRTBUQBCO-UHFFFAOYSA-N -1 0 368.359 3.740 50 0 FHAARM Cc1[n-]n(C(=O)Nc2ccc(Cl)cc2)c(=O)c1N=Nc1ccccc1 ZINC000252426451 571201776 /nfs/dbraw/zinc/20/17/76/571201776.db2.gz BZMBUUWKFQWVBM-UHFFFAOYSA-N -1 0 355.785 3.558 50 0 FHAARM COc1ccc(OC)c([C@H]2CCN(C(=O)c3ccc([O-])c(Cl)c3)C2)c1 ZINC000077355389 571208736 /nfs/dbraw/zinc/20/87/36/571208736.db2.gz CSMWBRGFJRSGDQ-ZDUSSCGKSA-N -1 0 361.825 3.693 50 0 FHAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)Nc1ncnc2c3ccccc3oc21 ZINC000004061877 571210094 /nfs/dbraw/zinc/21/00/94/571210094.db2.gz BJJRLNGOOBKOPX-INIZCTEOSA-N -1 0 372.384 3.965 50 0 biogenic FHAARM C[C@@H](NC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S)C1CC1 ZINC000012632512 571211444 /nfs/dbraw/zinc/21/14/44/571211444.db2.gz DGXZRYHSYAMKJM-CYBMUJFWSA-N -1 0 359.495 3.534 50 0 FHAARM O=C([O-])c1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2Cl)cc1 ZINC000036358336 571249774 /nfs/dbraw/zinc/24/97/74/571249774.db2.gz IOECWQHJEUPPIW-ZDUSSCGKSA-N -1 0 367.792 3.698 50 0 FHAARM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)s2)o1 ZINC000065003909 571250030 /nfs/dbraw/zinc/25/00/30/571250030.db2.gz AIHPNATWJZZAPM-UHFFFAOYSA-N -1 0 352.412 3.960 50 0 FHAARM CSc1ccccc1C(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2 ZINC000006939894 571255222 /nfs/dbraw/zinc/25/52/22/571255222.db2.gz DFZCKBPIKIRXKS-UHFFFAOYSA-N -1 0 359.403 3.520 50 0 FHAARM Cc1cccc([C@H]2CC(c3ccsc3)=NN2C(=O)CCCC(=O)[O-])c1 ZINC000170091756 571262318 /nfs/dbraw/zinc/26/23/18/571262318.db2.gz CJIJDOYJWZXHPY-QGZVFWFLSA-N -1 0 356.447 3.989 50 0 FHAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(C)ccc2C)cc1Cl ZINC000007381488 571264910 /nfs/dbraw/zinc/26/49/10/571264910.db2.gz JJJYTCZWRZJSQX-UHFFFAOYSA-N -1 0 355.843 3.775 50 0 FHAARM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C(F)(F)F)n1 ZINC000170600119 571266857 /nfs/dbraw/zinc/26/68/57/571266857.db2.gz CGXCUPCSNQJRFZ-UHFFFAOYSA-N -1 0 366.748 3.563 50 0 FHAARM Cc1ccc(CS(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)c(F)c1 ZINC000170615569 571268279 /nfs/dbraw/zinc/26/82/79/571268279.db2.gz RXKILXJZDMZSPT-UHFFFAOYSA-N -1 0 351.428 3.528 50 0 FHAARM O=C([O-])c1ccc(C(=O)N2CCC(c3c[nH]c4cc(F)ccc43)CC2)o1 ZINC000238014797 571277359 /nfs/dbraw/zinc/27/73/59/571277359.db2.gz YRNGCCZDKBOITR-UHFFFAOYSA-N -1 0 356.353 3.618 50 0 FHAARM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000007726586 571287180 /nfs/dbraw/zinc/28/71/80/571287180.db2.gz LSMUEYRJJQFMSF-UHFFFAOYSA-N -1 0 366.442 3.767 50 0 FHAARM CCCCC[C@@](C)(O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-] ZINC000027640192 571319321 /nfs/dbraw/zinc/31/93/21/571319321.db2.gz XSGQFHNPNWBVPT-VFXMVCAWSA-N -1 0 366.498 3.641 50 0 in-man FHAARM COc1ccc(-c2ccc3c(n2)sc2c3[nH]c(=O)cc2[O-])cc1OC ZINC000011363915 571321833 /nfs/dbraw/zinc/32/18/33/571321833.db2.gz FGCLRGRUZVJHCE-UHFFFAOYSA-N -1 0 354.387 3.528 50 0 FHAARM Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000079105834 571326973 /nfs/dbraw/zinc/32/69/73/571326973.db2.gz JCQRHALQSNXXLH-UHFFFAOYSA-N -1 0 372.471 3.623 50 0 FHAARM Cc1ccccc1CS(=O)(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000095995777 571333592 /nfs/dbraw/zinc/33/35/92/571333592.db2.gz GDOKJRFFGGDEMB-UHFFFAOYSA-N -1 0 365.524 3.911 50 0 FHAARM O=S(=O)([N-]c1ncnc2c3ccccc3oc21)c1ccc(Cl)s1 ZINC000002622145 571339369 /nfs/dbraw/zinc/33/93/69/571339369.db2.gz DNMDQIKUGMACSK-UHFFFAOYSA-N -1 0 365.823 3.892 50 0 FHAARM O=C([O-])c1ccccc1SCC(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000215710824 571339787 /nfs/dbraw/zinc/33/97/87/571339787.db2.gz XVYRSSQAPCLNRT-UHFFFAOYSA-N -1 0 356.325 3.529 50 0 FHAARM O=c1c2cc(N3CCOCC3)ccc2[n-]c(=S)n1CCC1=CCCCC1 ZINC000002975994 571343124 /nfs/dbraw/zinc/34/31/24/571343124.db2.gz BBDANCUDUBFADN-UHFFFAOYSA-N -1 0 371.506 3.786 50 0 FHAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c(O)cccc23)cc1 ZINC000003250442 571346126 /nfs/dbraw/zinc/34/61/26/571346126.db2.gz JNRPUQUHBBIOIB-UHFFFAOYSA-N -1 0 371.414 3.523 50 0 FHAARM COc1ccc(C(=O)Nc2ccc(N3CCC[C@@H](C)C3)c(C(=O)[O-])c2)cc1 ZINC000058064960 571347623 /nfs/dbraw/zinc/34/76/23/571347623.db2.gz YZBRHGOVMLMJCA-CQSZACIVSA-N -1 0 368.433 3.882 50 0 FHAARM CCOC(=O)c1sc([N-]c2nc3cc4c(cc3s2)OCO4)nc1C ZINC000004137821 571356005 /nfs/dbraw/zinc/35/60/05/571356005.db2.gz CANZRRMSUUTFFN-UHFFFAOYSA-N -1 0 363.420 3.710 50 0 FHAARM CCc1cc2c(cc1OCC(=O)[O-])oc(C)c(-c1ccc(F)cc1)c2=O ZINC000004263632 571357308 /nfs/dbraw/zinc/35/73/08/571357308.db2.gz IGSZKCHHIPTYNL-UHFFFAOYSA-N -1 0 356.349 3.933 50 0 FHAARM CCOc1ccc2nc(NC(=O)[C@@H]3CC(C)=CC[C@@H]3C(=O)[O-])sc2c1 ZINC000004263126 571357365 /nfs/dbraw/zinc/35/73/65/571357365.db2.gz XZUYZIXPQIPGSG-QWHCGFSZSA-N -1 0 360.435 3.691 50 0 FHAARM CCOc1ccc2nc([N-]S(=O)(=O)c3cc(F)ccc3F)sc2c1 ZINC000008109762 571358963 /nfs/dbraw/zinc/35/89/63/571358963.db2.gz FSAYQSOIYQFVJU-UHFFFAOYSA-N -1 0 370.402 3.774 50 0 FHAARM COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000262420674 600883996 /nfs/dbraw/zinc/88/39/96/600883996.db2.gz QBRDCJVOCAIQGQ-VHSSKADRSA-N -1 0 353.418 3.602 50 0 FHAARM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC000263248816 600902905 /nfs/dbraw/zinc/90/29/05/600902905.db2.gz GVOCWLQFASSOCP-SCLBCKFNSA-N -1 0 357.381 3.512 50 0 FHAARM CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccccc1C(=O)[O-] ZINC000000716961 210265928 /nfs/dbraw/zinc/26/59/28/210265928.db2.gz IOGZVDZJAHKMOG-UHFFFAOYSA-N -1 0 366.373 3.862 50 0 biogenic FHAARM COc1ccc(OC)c(Nc2nccc(Nc3ccccc3C(=O)[O-])n2)c1 ZINC000170621807 222608198 /nfs/dbraw/zinc/60/81/98/222608198.db2.gz CNWNXTBATATHPB-UHFFFAOYSA-N -1 0 366.377 3.679 50 0 FHAARM O=C([O-])CCOc1ccc(C=C(Cl)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000096307296 210238263 /nfs/dbraw/zinc/23/82/63/210238263.db2.gz YITPYFZOXIBPJW-PTNGSMBKSA-N -1 0 370.792 3.926 50 0 FHAARM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccccc2Br)N1 ZINC000004012524 210228806 /nfs/dbraw/zinc/22/88/06/210228806.db2.gz KWMNDHRTULLQGP-HZPDHXFCSA-N -1 0 371.234 3.619 50 0 biogenic FHAARM Cc1c(OCc2ccc(C(=O)[O-])o2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000001151341 210225552 /nfs/dbraw/zinc/22/55/52/210225552.db2.gz FEVMIGKSSIYWOY-UHFFFAOYSA-N -1 0 354.358 3.850 50 0 biogenic FHAARM Cc1c(O[C@@H](C)C(=O)[O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000000637118 210224497 /nfs/dbraw/zinc/22/44/97/210224497.db2.gz YCSRGPBZJGMZSN-AWEZNQCLSA-N -1 0 352.386 3.853 50 0 biogenic FHAARM CCOc1ccc(Cn2c(=O)c3sccc3[n-]c2=S)cc1OCC ZINC000100090729 210082230 /nfs/dbraw/zinc/08/22/30/210082230.db2.gz UIBNFWMRCZLTET-UHFFFAOYSA-N -1 0 362.476 3.592 50 0 FHAARM Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237682373 222910206 /nfs/dbraw/zinc/91/02/06/222910206.db2.gz NKNKSJWPPYSQBB-WOJBJXKFSA-N -1 0 363.457 3.744 50 0 FHAARM Cc1ccc(-c2cnc(CCC(=O)N3CCCC[C@@H]3CCC(=O)[O-])o2)cc1 ZINC000237730230 222910276 /nfs/dbraw/zinc/91/02/76/222910276.db2.gz LJHNVFRSOOCJFO-QGZVFWFLSA-N -1 0 370.449 3.829 50 0 FHAARM C[C@]12CC[C@@H]3c4ccc(OC(=O)CCC(=O)[O-])cc4CC[C@H]3[C@@H]1CCC2=O ZINC000003983989 219533475 /nfs/dbraw/zinc/53/34/75/219533475.db2.gz VSHNBNRUBKFQCR-QLDGJZPUSA-N -1 0 370.445 3.882 50 0 in-vitro FHAARM Cc1ccc(C2=N/C(=C\c3ccc(Cl)cc3)C(=O)N2CCC(=O)[O-])cc1 ZINC000004747608 219604349 /nfs/dbraw/zinc/60/43/49/219604349.db2.gz WVFWPEKHXUDJHB-ATVHPVEESA-N -1 0 368.820 3.753 50 0 FHAARM O=C([O-])c1cn(-c2ccccc2F)c2c1NC(=O)C[C@H]2c1cccs1 ZINC000061718816 212025108 /nfs/dbraw/zinc/02/51/08/212025108.db2.gz FPUFOWSMQNNOGJ-JTQLQIEISA-N -1 0 356.378 3.850 50 0 FHAARM Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(C)c1C ZINC000012907626 220041174 /nfs/dbraw/zinc/04/11/74/220041174.db2.gz DXGSSFSQYNMQSE-UHFFFAOYSA-N -1 0 365.426 3.867 50 0 FHAARM CCN(c1cc(C)ccc1C)S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000055675294 211952126 /nfs/dbraw/zinc/95/21/26/211952126.db2.gz JYJQEAYNROGVGN-UHFFFAOYSA-N -1 0 353.465 3.587 50 0 FHAARM O=C([O-])[C@@H]1CCN(C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)C1 ZINC000299743501 211824446 /nfs/dbraw/zinc/82/44/46/211824446.db2.gz NVLCBAPLYXLJFX-CYBMUJFWSA-N -1 0 368.414 3.617 50 0 FHAARM O=C([O-])c1ccc([C@H]2CC(=O)Nc3c2ncn3-c2ccccc2Cl)cc1 ZINC000036358335 211662687 /nfs/dbraw/zinc/66/26/87/211662687.db2.gz IOECWQHJEUPPIW-CYBMUJFWSA-N -1 0 367.792 3.698 50 0 FHAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(C)c3C)c(C)s2)no1 ZINC000035539067 211640619 /nfs/dbraw/zinc/64/06/19/211640619.db2.gz LULDWPDQIPTZKA-UHFFFAOYSA-N -1 0 363.464 3.833 50 0 FHAARM CCOc1ccc(-c2c[n-]n3c2nc(-c2cc(C4CC4)on2)cc3=O)cc1 ZINC000023619375 211392100 /nfs/dbraw/zinc/39/21/00/211392100.db2.gz RJZOVWADYISXBE-UHFFFAOYSA-N -1 0 362.389 3.621 50 0 FHAARM O=c1c(S(=O)(=O)c2ccc(F)c(F)c2)c[n-]c2c(F)ccc(Cl)c12 ZINC000021657599 211319132 /nfs/dbraw/zinc/31/91/32/211319132.db2.gz CKDZBJJBGQCIJD-UHFFFAOYSA-N -1 0 373.739 3.844 50 0 FHAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)c2)no1 ZINC000021701626 211321336 /nfs/dbraw/zinc/32/13/36/211321336.db2.gz JWELWWPLOOYKNQ-UHFFFAOYSA-N -1 0 369.855 3.869 50 0 FHAARM CCc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(F)cc3C)c2)no1 ZINC000021702143 211320620 /nfs/dbraw/zinc/32/06/20/211320620.db2.gz SDWREASPNVSIEQ-UHFFFAOYSA-N -1 0 367.427 3.609 50 0 FHAARM Cc1noc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)n3)c2)c1C ZINC000020580434 211287332 /nfs/dbraw/zinc/28/73/32/211287332.db2.gz NIPQTERGPUXKCQ-UHFFFAOYSA-N -1 0 357.435 3.771 50 0 FHAARM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000020574838 211287159 /nfs/dbraw/zinc/28/71/59/211287159.db2.gz RDQFNNDCOAQTAG-UHFFFAOYSA-N -1 0 370.858 3.571 50 0 FHAARM COc1ccc(-n2[n-]c(C)c(Cc3ccc(Br)cc3)c2=O)cc1 ZINC000018191183 211194341 /nfs/dbraw/zinc/19/43/41/211194341.db2.gz HAOPVMHTGFCQHG-UHFFFAOYSA-N -1 0 373.250 3.836 50 0 FHAARM Cc1sc(NC(=O)CCCC(=O)[O-])c(C(N)=O)c1-c1ccc(C)c(C)c1 ZINC000017076622 211180131 /nfs/dbraw/zinc/18/01/31/211180131.db2.gz ZOPDRGUNCASWKP-UHFFFAOYSA-N -1 0 374.462 3.633 50 0 in-vitro FHAARM CCOc1ccccc1NC(=O)N1CCc2ccccc2[C@H]1CC(=O)[O-] ZINC000015782069 211143230 /nfs/dbraw/zinc/14/32/30/211143230.db2.gz HPCCUSDOWKJRIK-QGZVFWFLSA-N -1 0 354.406 3.691 50 0 FHAARM Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000014254516 211089254 /nfs/dbraw/zinc/08/92/54/211089254.db2.gz OYJOTYDKYQSZSD-UHFFFAOYSA-N -1 0 361.854 3.943 50 0 FHAARM O=C1[N-]C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000013940165 211065876 /nfs/dbraw/zinc/06/58/76/211065876.db2.gz KKCFXBNENCBJDP-NVNXTCNLSA-N -1 0 363.200 3.753 50 0 FHAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(Cc1ccco1)c1ccccc1 ZINC000013248860 211027958 /nfs/dbraw/zinc/02/79/58/211027958.db2.gz OAQLTZUQENQCQT-UHFFFAOYSA-N -1 0 371.414 3.682 50 0 FHAARM CC1(C)C=Cc2cc(-c3coc4cc([O-])cc(O)c4c3=O)cc(O)c2O1 ZINC000013125765 211025274 /nfs/dbraw/zinc/02/52/74/211025274.db2.gz LWZACZCRAUQSLH-UHFFFAOYSA-N -1 0 352.342 3.761 50 0 endogenous,in-man FHAARM COc1ccc(-c2noc(CSc3ccccc3C(=O)[O-])n2)cc1OC ZINC000012978290 211014025 /nfs/dbraw/zinc/01/40/25/211014025.db2.gz QKETWLVWFNDDSM-UHFFFAOYSA-N -1 0 372.402 3.744 50 0 FHAARM CCN(CC)C(=O)c1cccc(NC(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC000008778227 210804292 /nfs/dbraw/zinc/80/42/92/210804292.db2.gz MMYVVVRYAQZIFI-UHFFFAOYSA-N -1 0 360.454 3.532 50 0 FHAARM Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000004840969 210569794 /nfs/dbraw/zinc/56/97/94/210569794.db2.gz NOKZZXDWWRFYQW-UHFFFAOYSA-N -1 0 370.792 3.932 50 0 FHAARM COC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc(C)c1-c1ccc(C)c(C)c1 ZINC000002758362 210420251 /nfs/dbraw/zinc/42/02/51/210420251.db2.gz DARDLSOHWBBFCG-BQYQJAHWSA-N -1 0 373.430 3.706 50 0 FHAARM O=C([O-])c1cccn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O ZINC000002561394 210405722 /nfs/dbraw/zinc/40/57/22/210405722.db2.gz SZBRHTVONWSBKR-UHFFFAOYSA-N -1 0 365.229 3.632 50 0 FHAARM CCCCOC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)[O-] ZINC000002496195 210403766 /nfs/dbraw/zinc/40/37/66/210403766.db2.gz JKLYNAGHBQDBLI-NTFDOXNWSA-N -1 0 350.414 3.938 50 0 FHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OCC)c2ncccc12 ZINC000002455819 210399545 /nfs/dbraw/zinc/39/95/45/210399545.db2.gz IGBJATBRFDYORU-UHFFFAOYSA-N -1 0 372.446 3.833 50 0 FHAARM CCc1ccc(OCCSc2nc3ccccc3n2CC(=O)[O-])cc1 ZINC000002054762 210378766 /nfs/dbraw/zinc/37/87/66/210378766.db2.gz YZIJTKFRBAFQDW-UHFFFAOYSA-N -1 0 356.447 3.854 50 0 FHAARM O=C([O-])CCCn1cc(NC(=O)C(c2ccccc2)c2ccccc2)cn1 ZINC000001430667 210352695 /nfs/dbraw/zinc/35/26/95/210352695.db2.gz WZEVYKKKTNZEBF-UHFFFAOYSA-N -1 0 363.417 3.519 50 0 FHAARM Cc1nc(-c2ccccc2)sc1C([O-])=CS(=O)(=O)c1ccccc1 ZINC000001390127 210348431 /nfs/dbraw/zinc/34/84/31/210348431.db2.gz VZHQYOARNLYJTO-UHFFFAOYSA-N -1 0 357.456 3.775 50 0 FHAARM O=C(Nc1ccccc1Cl)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000001303398 210341357 /nfs/dbraw/zinc/34/13/57/210341357.db2.gz BGBUWEFCYCEXGL-UHFFFAOYSA-N -1 0 354.793 3.559 50 0 FHAARM Cn1c(=O)c(C(=O)Nc2cccc(C(F)(F)F)c2)c([O-])c2ccccc21 ZINC000001323930 210341444 /nfs/dbraw/zinc/34/14/44/210341444.db2.gz UXRMPDGGJVYVDH-UHFFFAOYSA-N -1 0 362.307 3.515 50 0 FHAARM COC(=O)N=c1[n-]nc(CSCc2cccc(Br)c2)s1 ZINC000001129847 210321870 /nfs/dbraw/zinc/32/18/70/210321870.db2.gz FQGHUWNCAGDAQN-UHFFFAOYSA-N -1 0 374.285 3.912 50 0 FHAARM O=C([O-])c1ccc(NC(=O)c2ccccc2)c(NC(=O)c2ccccc2)c1 ZINC000001123476 210321425 /nfs/dbraw/zinc/32/14/25/210321425.db2.gz KMZVJJIMLWQDKR-UHFFFAOYSA-N -1 0 360.369 3.889 50 0 FHAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(Br)c2cccnc12 ZINC000000992921 210299243 /nfs/dbraw/zinc/29/92/43/210299243.db2.gz TVDQJMRPOKKECM-UHFFFAOYSA-N -1 0 371.190 3.948 50 0 FHAARM O=S(=O)([N-]c1cccc2nsnc21)c1cc(Cl)sc1Cl ZINC000001038779 210306702 /nfs/dbraw/zinc/30/67/02/210306702.db2.gz NMTCNEQKSRYVGC-UHFFFAOYSA-N -1 0 366.276 3.860 50 0 FHAARM CCc1cc2c(cc1O[C@@H](C)C(=O)[O-])occ(-c1csc(C)n1)c2=O ZINC000000937123 210292409 /nfs/dbraw/zinc/29/24/09/210292409.db2.gz HWOXVKNHXRSFOH-VIFPVBQESA-N -1 0 359.403 3.639 50 0 FHAARM CCc1cc2c(cc1O[C@H](C)C(=O)[O-])occ(-c1csc(C)n1)c2=O ZINC000000937124 210292246 /nfs/dbraw/zinc/29/22/46/210292246.db2.gz HWOXVKNHXRSFOH-SECBINFHSA-N -1 0 359.403 3.639 50 0 FHAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cccs1 ZINC000000869005 210284757 /nfs/dbraw/zinc/28/47/57/210284757.db2.gz WOFDVMZHISOGRV-CQSZACIVSA-N -1 0 362.838 3.944 50 0 FHAARM CCOc1ccc(NC(=O)[C@H](C)[C@H](Cc2ccc(C)cc2)C(=O)[O-])cc1 ZINC000000864903 210281631 /nfs/dbraw/zinc/28/16/31/210281631.db2.gz DIKJOESZCPAOQZ-BEFAXECRSA-N -1 0 355.434 3.912 50 0 FHAARM CCc1cc2c(ncnc2N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])s1 ZINC000000784786 210270069 /nfs/dbraw/zinc/27/00/69/210270069.db2.gz IHQWTPNYEXSLAE-INIZCTEOSA-N -1 0 366.446 3.843 50 0 FHAARM Cc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCCCC3)c([O-])n2n1 ZINC000022626041 220392574 /nfs/dbraw/zinc/39/25/74/220392574.db2.gz VBQBWESYIWTROQ-AWEZNQCLSA-N -1 0 364.421 3.658 50 0 FHAARM CC(C)c1ccccc1NC(=O)Cc1csc([N-]c2ncccn2)n1 ZINC000049029411 221017216 /nfs/dbraw/zinc/01/72/16/221017216.db2.gz IBJBPQBXFRYCCW-UHFFFAOYSA-N -1 0 353.451 3.981 50 0 FHAARM CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000058431681 221119448 /nfs/dbraw/zinc/11/94/48/221119448.db2.gz QJQRSIWUXYHKTO-UHFFFAOYSA-N -1 0 351.399 3.622 50 0 FHAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000064980656 221161545 /nfs/dbraw/zinc/16/15/45/221161545.db2.gz XOIKNLRKWIETCO-UHFFFAOYSA-N -1 0 368.477 3.538 50 0 FHAARM Cc1nnc(-c2csc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)c2)o1 ZINC000065098592 221168563 /nfs/dbraw/zinc/16/85/63/221168563.db2.gz CPILRAYRRSICDJ-UHFFFAOYSA-N -1 0 373.818 3.700 50 0 FHAARM Cc1cccc([N-]S(=O)(=O)c2cc(-c3nnc(C4CC4)o3)cs2)c1 ZINC000065098736 221169516 /nfs/dbraw/zinc/16/95/16/221169516.db2.gz RUMDQXCEQWILII-UHFFFAOYSA-N -1 0 361.448 3.785 50 0 FHAARM Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccccc1C(=O)[O-])CC(=O)N2 ZINC000065527817 221231165 /nfs/dbraw/zinc/23/11/65/221231165.db2.gz FZGRJBXPVPNTDZ-QGZVFWFLSA-N -1 0 361.401 3.661 50 0 FHAARM C[C@H]1Sc2ccccc2N(S(=O)(=O)c2cc(C(=O)[O-])cs2)[C@H]1C ZINC000079105863 132193010 /nfs/dbraw/zinc/19/30/10/132193010.db2.gz KSJHSQKNFXNGPZ-VHSXEESVSA-N -1 0 369.489 3.524 50 0 FHAARM COc1ccccc1N1C(=O)c2ccccc2N[C@@]1(C(=O)[O-])c1ccccc1 ZINC000001068880 132379887 /nfs/dbraw/zinc/37/98/87/132379887.db2.gz UYTUOMYZUMIHAB-QFIPXVFZSA-N -1 0 374.396 3.705 50 0 FHAARM COc1ccc(C(=O)Nc2ccc(N3CCC[C@@H](C)C3)cc2C(=O)[O-])cc1 ZINC000064589108 136133304 /nfs/dbraw/zinc/13/33/04/136133304.db2.gz TXMGBWYINDJDSD-CQSZACIVSA-N -1 0 368.433 3.882 50 0 FHAARM Cc1ccccc1C[C@@]1(C(=O)[O-])CCCN(c2cc(C3CC3)ncn2)C1 ZINC000071759333 136140435 /nfs/dbraw/zinc/14/04/35/136140435.db2.gz DAEUNUDWWHEGCT-NRFANRHFSA-N -1 0 351.450 3.576 50 0 FHAARM O=C([O-])C1(Cc2ccccc2Cl)CCN(c2ncnc3[nH]ccc32)CC1 ZINC000071762226 136140846 /nfs/dbraw/zinc/14/08/46/136140846.db2.gz NSTRACFVVZUVKV-UHFFFAOYSA-N -1 0 370.840 3.525 50 0 FHAARM Cc1sc(-c2ccno2)cc1S(=O)(=O)[N-]c1ccc(C)c(F)c1 ZINC000075436509 221580681 /nfs/dbraw/zinc/58/06/81/221580681.db2.gz CZYXNGUTJPYTBG-UHFFFAOYSA-N -1 0 352.412 3.960 50 0 FHAARM O=C([O-])c1ccnc(-c2ccnc(NCCCc3ccc(Cl)cc3)n2)c1 ZINC000077358209 221613955 /nfs/dbraw/zinc/61/39/55/221613955.db2.gz AFVXHMCBVFCQMD-UHFFFAOYSA-N -1 0 368.824 3.935 50 0 FHAARM Cc1ccc(-c2cnc(CCC(=O)NCc3cccc(C(=O)[O-])c3)o2)cc1 ZINC000095425097 221901365 /nfs/dbraw/zinc/90/13/65/221901365.db2.gz VHKJPEPQSYDBMF-UHFFFAOYSA-N -1 0 364.401 3.597 50 0 FHAARM COc1cc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)cc2c1OCCO2 ZINC000096792020 222130678 /nfs/dbraw/zinc/13/06/78/222130678.db2.gz XDOKRVBMLBOOHM-SREVYHEPSA-N -1 0 363.369 3.883 50 0 FHAARM CC[C@@H]1CN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)[O-])CCO1 ZINC000097259340 222172047 /nfs/dbraw/zinc/17/20/47/222172047.db2.gz XVUWVESDHSQCHA-LJQANCHMSA-N -1 0 373.424 3.567 50 0 FHAARM Cc1cc([C@@H]2C([O-])=C(C(=O)c3ccc(Cl)cc3)C(=O)CC2(C)C)on1 ZINC000100551817 222246627 /nfs/dbraw/zinc/24/66/27/222246627.db2.gz KCFZLJTYWBJNEP-HZPDHXFCSA-N -1 0 359.809 3.787 50 0 FHAARM C[C@@H]1CCCC[C@@H]1NC(=O)CCCn1c(=O)c2sccc2[n-]c1=S ZINC000101611277 222279792 /nfs/dbraw/zinc/27/97/92/222279792.db2.gz OYDPYXOQZFRZMQ-NEPJUHHUSA-N -1 0 365.524 3.596 50 0 FHAARM CCn1c(=O)c2ccc(C(=O)Nc3cc(C)ccc3C)cc2[n-]c1=S ZINC000102360727 222294565 /nfs/dbraw/zinc/29/45/65/222294565.db2.gz HPLZRWNIFXVYOG-UHFFFAOYSA-N -1 0 353.447 3.574 50 0 FHAARM Nc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](O)c1cccc(Oc2ccccc2)c1 ZINC000102411293 222297308 /nfs/dbraw/zinc/29/73/08/222297308.db2.gz CUKFYJCXUDZUOM-FQEVSTJZSA-N -1 0 373.412 3.622 50 0 FHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(Cl)c4)c=3c2=O)cc1F ZINC000102819247 222309114 /nfs/dbraw/zinc/30/91/14/222309114.db2.gz IFBZORWBAZWKEA-CVEARBPZSA-N -1 0 372.787 3.594 50 0 FHAARM O=C(C=Cc1ccco1)OC(C(=O)c1ccccc1)=C([O-])c1ccccc1 ZINC000105789785 222376039 /nfs/dbraw/zinc/37/60/39/222376039.db2.gz MOJKTSKFXSQWHB-YPKPFQOOSA-N -1 0 360.365 3.970 50 0 FHAARM Cc1cc(Br)c(S(=O)(=O)[N-]c2ncccc2C)cc1C ZINC000006697730 506498954 /nfs/dbraw/zinc/49/89/54/506498954.db2.gz MDHOQNVGNXGVLA-UHFFFAOYSA-N -1 0 355.257 3.570 50 0 FHAARM CCCC[C@H](CC)c1nnc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])s1 ZINC000239203202 521182952 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/nfs/dbraw/zinc/10/65/31/571106531.db2.gz BXKHVXKQKPGEAQ-CQSZACIVSA-N -1 0 360.479 3.722 50 0 FHAARM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CC(c2ccccc2)c2ccccc2)C1 ZINC000263133688 571122257 /nfs/dbraw/zinc/12/22/57/571122257.db2.gz DAYGKNHCWAFNAO-VQIMIIECSA-N -1 0 351.446 3.778 50 0 FHAARM O=C([O-])c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F ZINC000058038179 571124495 /nfs/dbraw/zinc/12/44/95/571124495.db2.gz VGWOABJDCVHEQG-UHFFFAOYSA-N -1 0 359.613 3.657 50 0 FHAARM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C)sc2C)ccc1Cl ZINC000058172125 571126979 /nfs/dbraw/zinc/12/69/79/571126979.db2.gz DOMMRXNKNRWWOQ-UHFFFAOYSA-N -1 0 358.872 3.778 50 0 FHAARM CCc1cc(OC(F)(F)F)cc2c1O[C@@H](C(F)(F)F)C(C(=O)[O-])=C2 ZINC000034659598 571132784 /nfs/dbraw/zinc/13/27/84/571132784.db2.gz DNSZVRYSOQVHKS-LLVKDONJSA-N -1 0 356.218 3.939 50 0 FHAARM CC(C)(C)OC(=O)N1CCCN([C@H](C(=O)[O-])c2cc3ccccc3o2)CC1 ZINC000090635861 571133885 /nfs/dbraw/zinc/13/38/85/571133885.db2.gz IPNVAELLYIYJQT-KRWDZBQOSA-N -1 0 374.437 3.501 50 0 FHAARM Cc1n[nH]c(SC(=Cc2ccc(OCc3ccccc3)cc2)C(=O)[O-])n1 ZINC000006129870 571137110 /nfs/dbraw/zinc/13/71/10/571137110.db2.gz UYXCSEHUAJNVQT-BOPFTXTBSA-N -1 0 367.430 3.910 50 0 FHAARM CCOC(=O)[C@H](C)Oc1ccc(Oc2coc3cc([O-])ccc3c2=O)cc1 ZINC000005901168 571168188 /nfs/dbraw/zinc/16/81/88/571168188.db2.gz OFHJBEYLFNWJLA-LBPRGKRZSA-N -1 0 370.357 3.621 50 0 biogenic FHAARM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3ccno3)sc2C)c1 ZINC000075436457 571178553 /nfs/dbraw/zinc/17/85/53/571178553.db2.gz LRRZKVQRCIDGJV-UHFFFAOYSA-N -1 0 362.432 3.715 50 0 FHAARM COc1cc(C2=C([O-])c3nc4ccccc4cc3C2=O)cc(OC)c1OC ZINC000007037107 571191165 /nfs/dbraw/zinc/19/11/65/571191165.db2.gz OPJZPPIWSLQOKV-UHFFFAOYSA-N -1 0 363.369 3.883 50 0 FHAARM Cc1ccc(Sc2ccc(CN3CCc4nc[nH]c4[C@@H]3C(=O)[O-])o2)cc1 ZINC000072423970 571193962 /nfs/dbraw/zinc/19/39/62/571193962.db2.gz XRCWPBWMZLLFRX-GOSISDBHSA-N -1 0 369.446 3.646 50 0 FHAARM CCCCNC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006471230 571200237 /nfs/dbraw/zinc/20/02/37/571200237.db2.gz JVHGRHXCDLGFCZ-UHFFFAOYSA-N -1 0 365.430 3.548 50 0 FHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cnc(-c3cccs3)s2)C1 ZINC000237973859 571210049 /nfs/dbraw/zinc/21/00/49/571210049.db2.gz PSTUKDOCCITJAN-NSHDSACASA-N -1 0 350.465 3.589 50 0 FHAARM O=C([O-])[C@@H](NC(=O)c1cc(N2CCCCC2)ccc1Cl)c1ccccc1 ZINC000426422053 571223374 /nfs/dbraw/zinc/22/33/74/571223374.db2.gz WLXCPCKRFNPWQM-SFHVURJKSA-N -1 0 372.852 3.886 50 0 FHAARM CCCCOc1ccc(NC(=O)CSc2ccc(C(=O)[O-])cn2)cc1 ZINC000006811578 571247787 /nfs/dbraw/zinc/24/77/87/571247787.db2.gz VRBZXXHJNCYARH-UHFFFAOYSA-N -1 0 360.435 3.690 50 0 FHAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccccc1C ZINC000006887664 571253209 /nfs/dbraw/zinc/25/32/09/571253209.db2.gz YWRUNEAFRRVIJS-UHFFFAOYSA-N -1 0 358.419 3.768 50 0 FHAARM CC(=O)N1CCc2cc(NC(=O)[C@](C)(CC(=O)[O-])C3CCCCC3)ccc21 ZINC000169975507 571259847 /nfs/dbraw/zinc/25/98/47/571259847.db2.gz ZQDBDYIMGKKGHE-OAQYLSRUSA-N -1 0 372.465 3.595 50 0 FHAARM C[C@@H](Nc1ccc(Cl)cc1Cl)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000170060623 571261487 /nfs/dbraw/zinc/26/14/87/571261487.db2.gz GAHGIUHMWQVKNH-GRZMOONWSA-N -1 0 359.253 3.553 50 0 FHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000007402544 571265086 /nfs/dbraw/zinc/26/50/86/571265086.db2.gz PCMAJKYEIMSGPK-UHFFFAOYSA-N -1 0 351.733 3.567 50 0 FHAARM CCc1ccccc1NC(=O)c1c[n-]c2c(c(C)nn2-c2ccccc2)c1=O ZINC000007424017 571265462 /nfs/dbraw/zinc/26/54/62/571265462.db2.gz PRESNYOHINBUEX-UHFFFAOYSA-N -1 0 372.428 3.837 50 0 FHAARM C[C@H](CCc1ccccc1)CC(=O)N[C@H](C(=O)[O-])c1ccc(F)c(F)c1 ZINC000170592164 571266293 /nfs/dbraw/zinc/26/62/93/571266293.db2.gz MRRVDADRDCLPDF-YJYMSZOUSA-N -1 0 361.388 3.866 50 0 FHAARM Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C)c1C ZINC000016994401 571274576 /nfs/dbraw/zinc/27/45/76/571274576.db2.gz GSTPWBOUQXPDAB-UHFFFAOYSA-N -1 0 372.490 3.630 50 0 FHAARM Cc1ccc2cc(C(=O)N(Cc3ccccc3)C[C@H](C)C(=O)[O-])[nH]c2c1 ZINC000237492328 571277256 /nfs/dbraw/zinc/27/72/56/571277256.db2.gz GYRLLHOSXKYRIB-HNNXBMFYSA-N -1 0 350.418 3.839 50 0 FHAARM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCCCC(=O)[O-] ZINC000170672437 571284956 /nfs/dbraw/zinc/28/49/56/571284956.db2.gz UGWHGTUVOITWBU-SECBINFHSA-N -1 0 350.267 3.845 50 0 FHAARM Nc1c(Cl)cc([N-]S(=O)(=O)c2c(F)cccc2F)cc1Cl ZINC000007708692 571286134 /nfs/dbraw/zinc/28/61/34/571286134.db2.gz NCHOXIDJJCUQKM-UHFFFAOYSA-N -1 0 353.177 3.655 50 0 FHAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000003907377 571292949 /nfs/dbraw/zinc/29/29/49/571292949.db2.gz LESYDUKETSWYKA-UHFFFAOYSA-N -1 0 352.662 3.965 50 0 FHAARM COc1cccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC000253433658 571316831 /nfs/dbraw/zinc/31/68/31/571316831.db2.gz ZUFCWYLRHYTKSF-LJQANCHMSA-N -1 0 366.417 3.628 50 0 FHAARM O=c1cc([O-])c2sc3nc(-c4cccnc4)cc(C(F)(F)F)c3c2[nH]1 ZINC000008773124 571320888 /nfs/dbraw/zinc/32/08/88/571320888.db2.gz RKJVIPPDRQKDOQ-UHFFFAOYSA-N -1 0 363.320 3.924 50 0 FHAARM O=C([O-])c1ccc(CCNC(=O)C2(c3cccc(Cl)c3)CCC2)cc1 ZINC000095350740 571328843 /nfs/dbraw/zinc/32/88/43/571328843.db2.gz VMRBEFFOTNSMFN-UHFFFAOYSA-N -1 0 357.837 3.819 50 0 FHAARM O=C([O-])c1cccc(C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000095445263 571329752 /nfs/dbraw/zinc/32/97/52/571329752.db2.gz ZLIYUBUAWQNTGT-GOSISDBHSA-N -1 0 373.836 3.624 50 0 FHAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(C)c1 ZINC000095951269 571332721 /nfs/dbraw/zinc/33/27/21/571332721.db2.gz ACTYZKTUBVPDDF-UHFFFAOYSA-N -1 0 353.827 3.764 50 0 FHAARM Cc1nc(-c2cc(C(=O)N3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])co2)cs1 ZINC000299749217 571338419 /nfs/dbraw/zinc/33/84/19/571338419.db2.gz JMLIWWBKUCCSGQ-GLQYFDAESA-N -1 0 360.435 3.569 50 0 FHAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2F)ccc1Cl ZINC000002726527 571340575 /nfs/dbraw/zinc/34/05/75/571340575.db2.gz OBXIDWICYXRHOA-UHFFFAOYSA-N -1 0 364.181 3.632 50 0 FHAARM Cc1ccn([C@H](C)c2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)n1 ZINC000002731298 571340670 /nfs/dbraw/zinc/34/06/70/571340670.db2.gz REWFPUPYHVQJKX-CQSZACIVSA-N -1 0 365.466 3.641 50 0 FHAARM Cc1cc(C)c(CCNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)c(C)c1 ZINC000057328212 571342525 /nfs/dbraw/zinc/34/25/25/571342525.db2.gz FVRSUFBQIOOSRT-UHFFFAOYSA-N -1 0 367.474 3.896 50 0 FHAARM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000003566286 571351080 /nfs/dbraw/zinc/35/10/80/571351080.db2.gz HTJYECIZOZMWMF-UHFFFAOYSA-N -1 0 354.859 3.842 50 0 FHAARM O=C([O-])C1CCN(C(=O)/C(=C\c2ccc(F)cc2)c2cccs2)CC1 ZINC000606441891 596936442 /nfs/dbraw/zinc/93/64/42/596936442.db2.gz NPEXDWWJDZSPQQ-VBKFSLOCSA-N -1 0 359.422 3.751 50 0 FHAARM Cc1cc(Br)oc1C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000263011378 939092607 /nfs/dbraw/zinc/09/26/07/939092607.db2.gz LNPZUJQZILIVNU-CYBMUJFWSA-N -1 0 366.211 3.523 50 0 FHAARM O=[N+]([O-])c1cc([O-])c(N=Cc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000254737865 947618306 /nfs/dbraw/zinc/61/83/06/947618306.db2.gz UGLPAAXNNULGED-UHFFFAOYSA-N -1 0 361.785 3.541 50 0 FHAARM O=C(c1ccccc1)c1ccc2c(c1[O-])[C@@H](c1ccc(O)cc1)CC(=O)O2 ZINC000253413811 210214995 /nfs/dbraw/zinc/21/49/95/210214995.db2.gz VSSDTYMITDPRPK-QGZVFWFLSA-N -1 0 360.365 3.770 50 0 FHAARM O=C([O-])C1CCN(C(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000013167421 210142265 /nfs/dbraw/zinc/14/22/65/210142265.db2.gz RXEWAIKWQQMDBH-DAFODLJHSA-N -1 0 361.747 3.695 50 0 FHAARM C[C@H]1CCc2nc(NC(=O)C[C@H](CC(=O)[O-])c3cccs3)sc2C1 ZINC000223111150 222766437 /nfs/dbraw/zinc/76/64/37/222766437.db2.gz XCKGYPDIRDRVHH-WDEREUQCSA-N -1 0 364.492 3.917 50 0 FHAARM CCc1cc2c(ncnc2N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])s1 ZINC000000784787 219320687 /nfs/dbraw/zinc/32/06/87/219320687.db2.gz IHQWTPNYEXSLAE-MRXNPFEDSA-N -1 0 366.446 3.843 50 0 FHAARM C[C@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(Br)s1 ZINC000237409108 222906420 /nfs/dbraw/zinc/90/64/20/222906420.db2.gz NYCRKESDKFVVQF-WDEREUQCSA-N -1 0 374.300 3.718 50 0 FHAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000237922522 222910689 /nfs/dbraw/zinc/91/06/89/222910689.db2.gz FLALYZWFICFXEI-KRWDZBQOSA-N -1 0 370.449 3.910 50 0 FHAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000237969930 222912485 /nfs/dbraw/zinc/91/24/85/222912485.db2.gz MKEDPZQIPDVKLV-ULQDDVLXSA-N -1 0 368.433 3.519 50 0 FHAARM COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000237253564 222906872 /nfs/dbraw/zinc/90/68/72/222906872.db2.gz FGBOSDUQANIHGG-DOTOQJQBSA-N -1 0 359.466 3.609 50 0 FHAARM CC(C)[C@@H](NC(=O)c1ccc2c(ccn2Cc2ccccc2)c1)C(=O)[O-] ZINC000252496450 222973849 /nfs/dbraw/zinc/97/38/49/222973849.db2.gz PIRKIEQCPAGZBN-LJQANCHMSA-N -1 0 350.418 3.529 50 0 FHAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000007708190 219819082 /nfs/dbraw/zinc/81/90/82/219819082.db2.gz HZCKSCTXLRCFPD-UHFFFAOYSA-N -1 0 360.218 3.801 50 0 FHAARM O=C(c1ccc2c(c1)[n-]c(=S)[nH]c2=O)N1CCC[C@H]1Cc1ccccc1 ZINC000063809229 212034393 /nfs/dbraw/zinc/03/43/93/212034393.db2.gz QQQHYPKGEBLFBS-HNNXBMFYSA-N -1 0 365.458 3.845 50 0 FHAARM CCOc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)c1 ZINC000063341206 212032622 /nfs/dbraw/zinc/03/26/22/212032622.db2.gz ARADDXACDJTBGU-LLVKDONJSA-N -1 0 369.446 3.888 50 0 FHAARM CCCn1ccc2cc([N-]S(=O)(=O)c3c(C)nn(C)c3Cl)ccc21 ZINC000063476099 212032445 /nfs/dbraw/zinc/03/24/45/212032445.db2.gz WWQZMYTUORPBCB-UHFFFAOYSA-N -1 0 366.874 3.547 50 0 FHAARM CN(C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)[C@@H]1CCc2ccccc21 ZINC000058434333 212010618 /nfs/dbraw/zinc/01/06/18/212010618.db2.gz OJGVURDWRJIPGW-MRXNPFEDSA-N -1 0 351.431 3.757 50 0 FHAARM Cc1cc([C@H](C(=O)[O-])N(Cc2ccco2)Cc2ccccn2)ccc1F ZINC000055393675 211947269 /nfs/dbraw/zinc/94/72/69/211947269.db2.gz UEAVNNDLPLGCPX-LJQANCHMSA-N -1 0 354.381 3.950 50 0 FHAARM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000013464625 220068577 /nfs/dbraw/zinc/06/85/77/220068577.db2.gz QWDGODFZVIRJMB-UHFFFAOYSA-N -1 0 359.325 3.513 50 0 FHAARM O=C([O-])[C@@H]1CC=CC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000041702016 211774250 /nfs/dbraw/zinc/77/42/50/211774250.db2.gz WYVXOQUBSSBXKD-UYAOXDASSA-N -1 0 363.413 3.945 50 0 FHAARM COCCn1c2ccccc2nc1[C@@H](CNc1cccc(C)c1)CC(=O)[O-] ZINC000017135409 220206935 /nfs/dbraw/zinc/20/69/35/220206935.db2.gz RNLHBGQAYAYRNT-MRXNPFEDSA-N -1 0 367.449 3.662 50 0 FHAARM CC(C)(F)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000038528709 211699813 /nfs/dbraw/zinc/69/98/13/211699813.db2.gz DYIMQSXNKQSKCE-KRWDZBQOSA-N -1 0 357.381 3.726 50 0 FHAARM O=C([O-])[C@H]1CS[C@@H](c2ccc(COc3c(Cl)cccc3Cl)o2)N1 ZINC000036612349 211670379 /nfs/dbraw/zinc/67/03/79/211670379.db2.gz TZRQVNAOFSMRFZ-RISCZKNCSA-N -1 0 374.245 3.954 50 0 FHAARM CC(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000023717724 211395063 /nfs/dbraw/zinc/39/50/63/211395063.db2.gz SSCGECZBXKNGTN-UHFFFAOYSA-N -1 0 372.899 3.588 50 0 FHAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3cccc(Cl)c3C)c2)no1 ZINC000021701745 211320334 /nfs/dbraw/zinc/32/03/34/211320334.db2.gz PXIQUJWMRIMBEA-UHFFFAOYSA-N -1 0 369.855 3.869 50 0 FHAARM O=C([O-])c1cnn2c1N[C@H](c1ccc(Cl)s1)C[C@@H]2C(F)(F)F ZINC000020617205 211291055 /nfs/dbraw/zinc/29/10/55/211291055.db2.gz WUZLBDWVXNBJGV-POYBYMJQSA-N -1 0 351.737 3.957 50 0 FHAARM O=c1[n-]c(=S)n(-c2ccccc2Cl)c2c1CN(Cc1ccco1)CN2 ZINC000020567552 211287966 /nfs/dbraw/zinc/28/79/66/211287966.db2.gz YLPQZGOEESPAJY-UHFFFAOYSA-N -1 0 374.853 3.527 50 0 FHAARM O=c1[n-]c(=S)n(-c2cccc(Cl)c2)c2c1CN(Cc1ccco1)CN2 ZINC000020437575 211278907 /nfs/dbraw/zinc/27/89/07/211278907.db2.gz IBMRCJRPOWPBIO-UHFFFAOYSA-N -1 0 374.853 3.527 50 0 FHAARM O=C([O-])C[C@H](CNC(=O)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1 ZINC000020426361 211278245 /nfs/dbraw/zinc/27/82/45/211278245.db2.gz XZVGHCZWECWKNL-CQSZACIVSA-N -1 0 370.836 3.739 50 0 FHAARM CCCc1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3C)c2)cc1 ZINC000017075760 211179412 /nfs/dbraw/zinc/17/94/12/211179412.db2.gz JMXCDESLYLPVQN-UHFFFAOYSA-N -1 0 369.490 3.993 50 0 FHAARM Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C)[n-]c2=O)cc1 ZINC000016777042 211168283 /nfs/dbraw/zinc/16/82/83/211168283.db2.gz HVNTYBMZTYRQPL-UHFFFAOYSA-N -1 0 366.446 3.592 50 0 FHAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1cc(C)cc(C)c1 ZINC000016205915 211157334 /nfs/dbraw/zinc/15/73/34/211157334.db2.gz AFRRLPLYVDXNSZ-UHFFFAOYSA-N -1 0 367.424 3.801 50 0 FHAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1ccc(C)cc1C ZINC000016202929 211157440 /nfs/dbraw/zinc/15/74/40/211157440.db2.gz MJZLOOLHRUCQFP-UHFFFAOYSA-N -1 0 367.424 3.801 50 0 FHAARM CCn1c(=O)c2ccc(C(=O)Nc3cccc(SC)c3)cc2[n-]c1=S ZINC000016598489 211163030 /nfs/dbraw/zinc/16/30/30/211163030.db2.gz VIVVVPDOJCSVRV-UHFFFAOYSA-N -1 0 371.487 3.679 50 0 FHAARM CCOC(=O)c1ccccc1[N-]c1nc(-c2cc(OC)ccc2OC)no1 ZINC000015680434 211138115 /nfs/dbraw/zinc/13/81/15/211138115.db2.gz VMSNYPBIMHIHSZ-UHFFFAOYSA-N -1 0 369.377 3.674 50 0 FHAARM Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)sc1C(=O)[O-] ZINC000037225800 211060475 /nfs/dbraw/zinc/06/04/75/211060475.db2.gz UHJWJLRVVWQUPT-UHFFFAOYSA-N -1 0 366.247 3.862 50 0 FHAARM CC(C)=CCc1cc(-c2oc3cc([O-])cc(O)c3c(=O)c2O)ccc1O ZINC000013130924 211024442 /nfs/dbraw/zinc/02/44/42/211024442.db2.gz PGCKDCPTJAQQSQ-UHFFFAOYSA-N -1 0 354.358 3.791 50 0 endogenous,in-man FHAARM CC(C)C(=O)Nc1ccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000012940229 211009996 /nfs/dbraw/zinc/00/99/96/211009996.db2.gz ZZGIBQGQUFTQJW-NRFANRHFSA-N -1 0 368.433 3.652 50 0 FHAARM Cc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2ccc3c(c2)CCCC3)cc1 ZINC000012886278 211003876 /nfs/dbraw/zinc/00/38/76/211003876.db2.gz IRCYEUOLXYXORC-FQEVSTJZSA-N -1 0 351.446 3.749 50 0 FHAARM O=C([O-])c1cccc(S(=O)(=O)Nc2cccc(OC3CCCC3)c2)c1 ZINC000012535922 210966880 /nfs/dbraw/zinc/96/68/80/210966880.db2.gz KUCPKFUZTUKLIJ-UHFFFAOYSA-N -1 0 361.419 3.507 50 0 FHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1c(-c2ccccc2)nc2sccn21 ZINC000012535820 210965971 /nfs/dbraw/zinc/96/59/71/210965971.db2.gz XJCXSBZUZOIPNQ-KGLIPLIRSA-N -1 0 367.430 3.668 50 0 FHAARM O=C([O-])CCCNC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 ZINC000012407218 210951387 /nfs/dbraw/zinc/95/13/87/210951387.db2.gz ACHRLTRXDMRWNN-UHFFFAOYSA-N -1 0 373.261 3.640 50 0 FHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cc(C)no2)s1 ZINC000006887799 210713246 /nfs/dbraw/zinc/71/32/46/210713246.db2.gz URDDOBQRGILNAB-UHFFFAOYSA-N -1 0 350.421 3.521 50 0 FHAARM CCCOc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000005030189 210592927 /nfs/dbraw/zinc/59/29/27/210592927.db2.gz LFWQPEKCFAYNBQ-UHFFFAOYSA-N -1 0 357.435 3.528 50 0 FHAARM CCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000005017244 210591646 /nfs/dbraw/zinc/59/16/46/210591646.db2.gz JHTGMBCGKYRBAZ-UHFFFAOYSA-N -1 0 356.451 3.643 50 0 FHAARM COc1ccc([C@H](NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c2ccccc2)cc1 ZINC000004573465 210543134 /nfs/dbraw/zinc/54/31/34/210543134.db2.gz CLDXKPCFEJOELW-HSALFYBXSA-N -1 0 365.429 3.568 50 0 FHAARM O=C([O-])CSCC(=O)NCc1c(Cl)cccc1Oc1ccccc1 ZINC000004324959 210525253 /nfs/dbraw/zinc/52/52/53/210525253.db2.gz OFZXOMIGEAVZOG-UHFFFAOYSA-N -1 0 365.838 3.566 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc(C)c3c2OC(C)(C)C3)cc1 ZINC000004108913 210510033 /nfs/dbraw/zinc/51/00/33/210510033.db2.gz ZSIDBRYYUQOAQY-UHFFFAOYSA-N -1 0 374.462 3.527 50 0 FHAARM O=c1c(-c2n[n-]c(=S)o2)cccn1Cc1ccc(Cl)cc1Cl ZINC000003041840 210446303 /nfs/dbraw/zinc/44/63/03/210446303.db2.gz IBAWLTUKDVJFSU-UHFFFAOYSA-N -1 0 354.218 3.542 50 0 FHAARM O=S(=O)([N-]c1ccn(Cc2ccc(F)cc2Cl)n1)c1cccs1 ZINC000002790779 210422955 /nfs/dbraw/zinc/42/29/55/210422955.db2.gz QZHGJXTUWOFKSH-UHFFFAOYSA-N -1 0 371.846 3.586 50 0 FHAARM CC[C@@H](C)[C@H](NC(=O)NCC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000002422525 210397763 /nfs/dbraw/zinc/39/77/63/210397763.db2.gz DPGOGZVMWBVXAL-BEFAXECRSA-N -1 0 354.450 3.617 50 0 FHAARM O=C([O-])C[C@H](NCc1ccco1)C(=O)N(c1ccccc1)c1ccccc1 ZINC000002338540 210391978 /nfs/dbraw/zinc/39/19/78/210391978.db2.gz YWNOUTYJYKNIPA-IBGZPJMESA-N -1 0 364.401 3.577 50 0 FHAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2cccc3cc(-c4ccccc4)oc32)n1 ZINC000020614943 220335902 /nfs/dbraw/zinc/33/59/02/220335902.db2.gz PFLGNTPSNZTMHR-UHFFFAOYSA-N -1 0 361.357 3.784 50 0 FHAARM CCOc1ccc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=NCCS2)cc1 ZINC000000756263 210268939 /nfs/dbraw/zinc/26/89/39/210268939.db2.gz UMWFDCLHWOOSSX-KRWDZBQOSA-N -1 0 359.447 3.720 50 0 FHAARM Cn1c2ccccc2nc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000027923924 220550631 /nfs/dbraw/zinc/55/06/31/220550631.db2.gz BFBYSYUWAVVYPH-UHFFFAOYSA-N -1 0 356.234 3.681 50 0 FHAARM Cc1cccc2sc(NC(=O)c3csc([N-]c4ncccn4)n3)nc21 ZINC000049032202 221017975 /nfs/dbraw/zinc/01/79/75/221017975.db2.gz YFPOVWCVHMXWLU-UHFFFAOYSA-N -1 0 368.447 3.847 50 0 FHAARM CCc1cccc([N-]S(=O)(=O)c2c(C)nc3sc(C(C)C)nn32)c1 ZINC000065183859 221176522 /nfs/dbraw/zinc/17/65/22/221176522.db2.gz BFZYNECCZKDEQP-UHFFFAOYSA-N -1 0 364.496 3.586 50 0 FHAARM CCc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000065183981 221176604 /nfs/dbraw/zinc/17/66/04/221176604.db2.gz IDHORRSNRVSKES-UHFFFAOYSA-N -1 0 364.496 3.586 50 0 FHAARM Cc1nn2c(nc(C(C)C)c2S(=O)(=O)[N-]c2cc(C)ccc2C)s1 ZINC000065183928 221176802 /nfs/dbraw/zinc/17/68/02/221176802.db2.gz CZMMTIUABZYWER-UHFFFAOYSA-N -1 0 364.496 3.640 50 0 FHAARM CCCCn1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c2cccnc21 ZINC000065242342 221185816 /nfs/dbraw/zinc/18/58/16/221185816.db2.gz UUVFXDHUCKZWIX-UHFFFAOYSA-N -1 0 365.405 3.915 50 0 FHAARM O=C(Nc1ccc(F)cc1)c1c(=O)[nH]c2sc3c(c2c1[O-])CCCCC3 ZINC000065150544 221172635 /nfs/dbraw/zinc/17/26/35/221172635.db2.gz ZCILCJXTDMBDII-UHFFFAOYSA-N -1 0 372.421 3.956 50 0 FHAARM Cc1cc2c(cc1NC(=O)C(C)C)NC(=O)C[C@H]2c1ccc(C(=O)[O-])s1 ZINC000065463383 221223569 /nfs/dbraw/zinc/22/35/69/221223569.db2.gz WKVRFAXBEHHATB-GFCCVEGCSA-N -1 0 372.446 3.823 50 0 FHAARM COc1cccc(-c2cc(C(=O)NCCCC(=O)[O-])c3ccccc3n2)c1 ZINC000071284965 221339680 /nfs/dbraw/zinc/33/96/80/221339680.db2.gz YNELPLTXXFZPSJ-UHFFFAOYSA-N -1 0 364.401 3.505 50 0 FHAARM O=C([O-])c1ccc(-c2ccccc2)nc1N1CCC[C@H](Cn2ccnc2)C1 ZINC000096130828 132219680 /nfs/dbraw/zinc/21/96/80/132219680.db2.gz IOXNWZFABVBOFR-MRXNPFEDSA-N -1 0 362.433 3.560 50 0 FHAARM O=S(=O)([N-]c1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F ZINC000001033513 132379591 /nfs/dbraw/zinc/37/95/91/132379591.db2.gz YTOMPAAKXQWAJC-UHFFFAOYSA-N -1 0 352.406 3.756 50 0 FHAARM O=C(c1cc(Cl)c([O-])c(Cl)c1)N1CCN(c2ccccc2F)CC1 ZINC000003363987 132385307 /nfs/dbraw/zinc/38/53/07/132385307.db2.gz SIYMNLZLSMBXMX-UHFFFAOYSA-N -1 0 369.223 3.801 50 0 FHAARM O=C([O-])c1ccc(-c2ccc([C@H]3SCC(=O)Nc4n[nH]cc43)o2)cc1 ZINC000079486715 221692915 /nfs/dbraw/zinc/69/29/15/221692915.db2.gz KLAYPIQXCVDZCR-HNNXBMFYSA-N -1 0 355.375 3.792 50 0 FHAARM COCc1c(Br)cccc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000095464118 221911760 /nfs/dbraw/zinc/91/17/60/221911760.db2.gz PDHYFEBRMSAJDF-UHFFFAOYSA-N -1 0 364.195 3.546 50 0 FHAARM Cc1sc2ccccc2c1S(=O)(=O)[N-]c1noc(C(C)(C)C)n1 ZINC000096001687 221989214 /nfs/dbraw/zinc/98/92/14/221989214.db2.gz GRAIIHQRZPRLFT-UHFFFAOYSA-N -1 0 351.453 3.691 50 0 FHAARM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000096170952 222067752 /nfs/dbraw/zinc/06/77/52/222067752.db2.gz PWADFEADXGBRNX-UHFFFAOYSA-N -1 0 362.195 3.837 50 0 FHAARM Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2cccc(C(C)C)c2)o1 ZINC000096379579 222117876 /nfs/dbraw/zinc/11/78/76/222117876.db2.gz YRQRSRHDMNOEFY-UHFFFAOYSA-N -1 0 374.466 3.914 50 0 FHAARM O=C([O-])c1c(F)cccc1NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000096401614 222120227 /nfs/dbraw/zinc/12/02/27/222120227.db2.gz HCBSOQYQAUODIA-HJWRWDBZSA-N -1 0 355.774 3.590 50 0 FHAARM COc1cc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)cc(OC)c1O ZINC000096791998 222130574 /nfs/dbraw/zinc/13/05/74/222130574.db2.gz CJRVDKIOBOBPTM-FPLPWBNLSA-N -1 0 351.358 3.826 50 0 FHAARM O=C([O-])C1CCN(C(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)CC1 ZINC000097017388 222150992 /nfs/dbraw/zinc/15/09/92/222150992.db2.gz NUOOXESXSVPSEK-HUUCEWRRSA-N -1 0 370.474 3.669 50 0 FHAARM Cc1ccc([C@H]2CC(=O)c3c[nH]c4nn(-c5ccccc5)c(=O)c-4c3C2)cc1 ZINC000100130359 222236493 /nfs/dbraw/zinc/23/64/93/222236493.db2.gz XUHOVTHXWQWVEH-MRXNPFEDSA-N -1 0 369.424 3.935 50 0 FHAARM O=C(C[C@H]1CC[C@@H](C(=O)[O-])CC1)c1cccc(I)c1 ZINC000100449372 222244322 /nfs/dbraw/zinc/24/43/22/222244322.db2.gz WZTJTPOZAYVYAV-XYPYZODXSA-N -1 0 372.202 3.755 50 0 FHAARM CCCCn1c(=O)c(C(=O)Nc2ccc(Cl)cn2)c([O-])c2ccccc21 ZINC000100680451 222249679 /nfs/dbraw/zinc/24/96/79/222249679.db2.gz QMJNAVOHTSYDON-UHFFFAOYSA-N -1 0 371.824 3.808 50 0 FHAARM COc1ccc(C([O-])=CC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000100721488 222250283 /nfs/dbraw/zinc/25/02/83/222250283.db2.gz BTZINOYCFWVDHS-UHFFFAOYSA-N -1 0 353.418 3.873 50 0 FHAARM CCn1c(=O)c2ccc(C(=O)N(C)c3cc(C)cc(C)c3)cc2[n-]c1=S ZINC000103702630 222340678 /nfs/dbraw/zinc/34/06/78/222340678.db2.gz MGXDUOMVRXCCLT-UHFFFAOYSA-N -1 0 367.474 3.599 50 0 FHAARM Cc1nc(-n2[n-]c(C)c(CCC(=O)Nc3ccc(F)cc3)c2=O)sc1C ZINC000101501505 222276574 /nfs/dbraw/zinc/27/65/74/222276574.db2.gz XKFWUXGILBOLGA-UHFFFAOYSA-N -1 0 374.441 3.670 50 0 FHAARM O=C([O-])C1=Nc2nc(SCc3ccccc3)nn2[C@H](c2cccs2)C1 ZINC000101598709 222279736 /nfs/dbraw/zinc/27/97/36/222279736.db2.gz IYNUEFHBIWBYKX-ZDUSSCGKSA-N -1 0 370.459 3.615 50 0 FHAARM CCn1c(=O)c2ccc(C(=O)Nc3ccccc3Cl)cc2[n-]c1=S ZINC000102751746 222306143 /nfs/dbraw/zinc/30/61/43/222306143.db2.gz QQOJLSZWPIPOTP-UHFFFAOYSA-N -1 0 359.838 3.611 50 0 FHAARM Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000158417500 222553305 /nfs/dbraw/zinc/55/33/05/222553305.db2.gz NDWXLHGRCNUQKT-UHFFFAOYSA-N -1 0 352.366 3.506 50 0 FHAARM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)Nc1ccc2c(c1)CCC2 ZINC000002971873 263327226 /nfs/dbraw/zinc/32/72/26/263327226.db2.gz ZDPLTVSBEKEHEU-UHFFFAOYSA-N -1 0 365.458 3.577 50 0 FHAARM O=C([O-])c1ccc(-c2ccc(C(=O)N3C[C@@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3)cc2)nc1 ZINC000426517994 263617444 /nfs/dbraw/zinc/61/74/44/263617444.db2.gz UXCVOLVQYWNPKH-AMBYYYRHSA-N -1 0 362.429 3.565 50 0 FHAARM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000020574878 521384342 /nfs/dbraw/zinc/38/43/42/521384342.db2.gz DYLWRRUKFZKLKS-UHFFFAOYSA-N -1 0 370.858 3.571 50 0 FHAARM O=C([O-])[C@H]1CCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000178266494 526328019 /nfs/dbraw/zinc/32/80/19/526328019.db2.gz KLBDYWOEMDVTMR-VIFPVBQESA-N -1 0 371.245 3.664 50 0 FHAARM O=C([O-])[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)N2CCCCC2)[C@@H]1c1ccccc1 ZINC000245377349 526336065 /nfs/dbraw/zinc/33/60/65/526336065.db2.gz JVYYEBJUKPRIEX-FXELSEDVSA-N -1 0 363.457 3.897 50 0 FHAARM CCCC[C@@](C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-] ZINC000005647287 560202641 /nfs/dbraw/zinc/20/26/41/560202641.db2.gz CNWGPXZGIIOYDL-KUBTZSAISA-N -1 0 368.514 3.865 50 0 in-vitro FHAARM CSCC[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000095509149 570465359 /nfs/dbraw/zinc/46/53/59/570465359.db2.gz BRQWUYPSNKHBFH-GFCCVEGCSA-N -1 0 353.827 3.536 50 0 FHAARM COc1ccc(OC)c(CN(C)C(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000072882490 570482188 /nfs/dbraw/zinc/48/21/88/570482188.db2.gz FCPLSZKXOQVMKB-UHFFFAOYSA-N -1 0 358.419 3.780 50 0 FHAARM CC[C@H](C)OC(=O)[C@H]1CC=CC[C@H]1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000248007808 570482338 /nfs/dbraw/zinc/48/23/38/570482338.db2.gz WHHXWBHRQQABQQ-IMJJTQAJSA-N -1 0 359.422 3.556 50 0 FHAARM COc1ccc(CSC(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000002555039 570524824 /nfs/dbraw/zinc/52/48/24/570524824.db2.gz NEUHEEDQLRFEIM-CQSZACIVSA-N -1 0 369.483 3.685 50 0 FHAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000002633039 570526653 /nfs/dbraw/zinc/52/66/53/570526653.db2.gz LVDGNNPNKCSKFC-UHFFFAOYSA-N -1 0 353.399 3.853 50 0 FHAARM COc1c(C)cc([C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C(=O)[O-])cc1C ZINC000072233818 570535873 /nfs/dbraw/zinc/53/58/73/570535873.db2.gz LELVUHMHGRFSDU-HZPDHXFCSA-N -1 0 363.454 3.880 50 0 FHAARM Cc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2cccs2)cc1 ZINC000002880233 570542102 /nfs/dbraw/zinc/54/21/02/570542102.db2.gz MDRHTSRAVDFVGT-UHFFFAOYSA-N -1 0 354.431 3.926 50 0 FHAARM CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000003000125 570549282 /nfs/dbraw/zinc/54/92/82/570549282.db2.gz DFWZKZTXLOLEBN-UHFFFAOYSA-N -1 0 372.446 3.691 50 0 FHAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2F)c(Cl)cc1Cl ZINC000003198700 570554402 /nfs/dbraw/zinc/55/44/02/570554402.db2.gz VCKGEUQEYFBEPU-UHFFFAOYSA-N -1 0 364.181 3.632 50 0 FHAARM COc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C)nc2)c1 ZINC000034840404 570557003 /nfs/dbraw/zinc/55/70/03/570557003.db2.gz FKCWXPPDSWJRJE-UHFFFAOYSA-N -1 0 370.430 3.992 50 0 FHAARM CC(C)CCNC(=O)c1ccc2c(c1)nc1c(c2SCC(=O)[O-])CCC1 ZINC000004906008 570557730 /nfs/dbraw/zinc/55/77/30/570557730.db2.gz XYYKRDSVBZHBKY-UHFFFAOYSA-N -1 0 372.490 3.676 50 0 FHAARM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000003819964 570568040 /nfs/dbraw/zinc/56/80/40/570568040.db2.gz RDDIFPWDYDDOEX-UHFFFAOYSA-N -1 0 373.352 3.683 50 0 FHAARM COc1cccc(COc2ccc3c(C)c(CCC(=O)[O-])c(=O)oc3c2)c1 ZINC000004042970 570573957 /nfs/dbraw/zinc/57/39/57/570573957.db2.gz UVIBBRYNBPLKHR-UHFFFAOYSA-N -1 0 368.385 3.706 50 0 biogenic FHAARM Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc(C)cc3)C2)cc1 ZINC000004103690 570575989 /nfs/dbraw/zinc/57/59/89/570575989.db2.gz GGRIZMPYVRYGHZ-IBGZPJMESA-N -1 0 350.418 3.846 50 0 FHAARM CN(Cc1ccccc1N1CCCC1)Cc1nc(=O)c2sccc2[n-]1 ZINC000035388588 570584396 /nfs/dbraw/zinc/58/43/96/570584396.db2.gz YPXBFLYGYGHBLG-UHFFFAOYSA-N -1 0 354.479 3.629 50 0 FHAARM O=C([O-])C[C@@H](CC(=O)Oc1ccccc1N1CCCC1)c1ccccc1 ZINC000004347869 570586041 /nfs/dbraw/zinc/58/60/41/570586041.db2.gz VUJNRGKGRGRQKH-KRWDZBQOSA-N -1 0 353.418 3.841 50 0 FHAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000005120985 570586468 /nfs/dbraw/zinc/58/64/68/570586468.db2.gz HUTKPZUGKDPPQE-UHFFFAOYSA-N -1 0 362.234 3.811 50 0 FHAARM O=C([O-])C[C@@H](CC(=O)NCc1ccco1)c1ccc(C(F)(F)F)cc1 ZINC000004371624 570587937 /nfs/dbraw/zinc/58/79/37/570587937.db2.gz ABHSOIKWKFEVLM-GFCCVEGCSA-N -1 0 355.312 3.563 50 0 FHAARM O=C(c1ccc2[n-]c(=S)oc2c1)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000073424987 570603311 /nfs/dbraw/zinc/60/33/11/570603311.db2.gz TVGLBNMRZTYEDX-QWHCGFSZSA-N -1 0 364.492 3.617 50 0 FHAARM O=C(Nc1ccc(F)cc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000004757025 570605789 /nfs/dbraw/zinc/60/57/89/570605789.db2.gz WWPFYPCMAQOUGD-UHFFFAOYSA-N -1 0 370.405 3.879 50 0 FHAARM CCc1nnc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)s1 ZINC000028248444 570612654 /nfs/dbraw/zinc/61/26/54/570612654.db2.gz JMORGSIFXJFDGF-UHFFFAOYSA-N -1 0 351.497 3.949 50 0 FHAARM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000004954796 570614771 /nfs/dbraw/zinc/61/47/71/570614771.db2.gz WQBDPEPULFNCMM-HTEOGMQZSA-N -1 0 370.630 3.564 50 0 FHAARM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000136492880 570621840 /nfs/dbraw/zinc/62/18/40/570621840.db2.gz JNUFHQJXGIFLDX-OAHLLOKOSA-N -1 0 358.463 3.815 50 0 FHAARM Cc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000253429566 570625621 /nfs/dbraw/zinc/62/56/21/570625621.db2.gz DBZJGRCJOVTILD-SFHVURJKSA-N -1 0 354.381 3.677 50 0 FHAARM Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 ZINC000005329336 570647887 /nfs/dbraw/zinc/64/78/87/570647887.db2.gz MWRSVGDFXCJYIQ-UHFFFAOYSA-N -1 0 358.463 3.539 50 0 FHAARM O=S(=O)([N-]c1nc2ccccc2s1)c1ccc(Br)cc1 ZINC000002700156 570664054 /nfs/dbraw/zinc/66/40/54/570664054.db2.gz TZKGLAAZNDOASV-UHFFFAOYSA-N -1 0 369.265 3.860 50 0 FHAARM Cc1ccc(N2C(=O)S[C@H](Nc3ccc(C(=O)[O-])cc3)C2=O)cc1C ZINC000002709846 570665400 /nfs/dbraw/zinc/66/54/00/570665400.db2.gz VQWJATGQWFIUOU-HNNXBMFYSA-N -1 0 356.403 3.640 50 0 FHAARM CCCc1cc(C(=O)OCC)c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])s1 ZINC000002767479 570672149 /nfs/dbraw/zinc/67/21/49/570672149.db2.gz FKWCOLVJWHZVLL-QWHCGFSZSA-N -1 0 367.467 3.707 50 0 FHAARM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1ccc(-c2ccno2)s1 ZINC000012340661 570738268 /nfs/dbraw/zinc/73/82/68/570738268.db2.gz DWVMNMQOIQWVCQ-UHFFFAOYSA-N -1 0 372.374 3.805 50 0 FHAARM Cn1nc(C2CC2)c2c1nc(-c1ccc(OC(F)F)cc1)cc2C(=O)[O-] ZINC000012396166 570741752 /nfs/dbraw/zinc/74/17/52/570741752.db2.gz AEPUXWAFQYIKOK-UHFFFAOYSA-N -1 0 359.332 3.812 50 0 FHAARM CCCCCC(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-] ZINC000012496032 570749160 /nfs/dbraw/zinc/74/91/60/570749160.db2.gz CUJMXIQZWPZMNQ-XYYGWQPLSA-N -1 0 352.471 3.683 50 0 endogenous,in-man FHAARM CCOc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)[O-])cc1OCC ZINC000012660324 570755830 /nfs/dbraw/zinc/75/58/30/570755830.db2.gz FYPHDYPWFMLFGO-SFQUDFHCSA-N -1 0 369.417 3.648 50 0 FHAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000004844892 570775444 /nfs/dbraw/zinc/77/54/44/570775444.db2.gz CUDIWPYBFNZPDG-UHFFFAOYSA-N -1 0 370.268 3.821 50 0 FHAARM C[C@@H]1Cc2cccc3c2n1c(=O)c(C(=O)Nc1cccc(Cl)c1)c3[O-] ZINC000200459397 570771872 /nfs/dbraw/zinc/77/18/72/570771872.db2.gz YVFGGNANECDCHR-SNVBAGLBSA-N -1 0 354.793 3.730 50 0 FHAARM CCn1c(=O)c(-c2nc(-c3ccccc3)no2)c([O-])c2ccc(F)cc21 ZINC000101724852 570822562 /nfs/dbraw/zinc/82/25/62/570822562.db2.gz NBBROALNMAWFEK-UHFFFAOYSA-N -1 0 351.337 3.583 50 0 FHAARM Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c(C)c1 ZINC000071946909 570877847 /nfs/dbraw/zinc/87/78/47/570877847.db2.gz SLGVTUAIKDZGFU-UHFFFAOYSA-N -1 0 373.518 3.975 50 0 FHAARM C[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1ccc(F)cc1F ZINC000047049192 570879221 /nfs/dbraw/zinc/87/92/21/570879221.db2.gz PTNBNLRWPQLENX-QMMMGPOBSA-N -1 0 361.373 3.767 50 0 FHAARM O=C(N[C@H]1CCCc2ccccc21)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000048342675 570948329 /nfs/dbraw/zinc/94/83/29/570948329.db2.gz NAVZQEWPDRAPID-HNNXBMFYSA-N -1 0 351.431 3.805 50 0 FHAARM Cc1nc(-c2cccc(F)c2)sc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000049546507 570963673 /nfs/dbraw/zinc/96/36/73/570963673.db2.gz DZKFOCLIQGTROR-UHFFFAOYSA-N -1 0 370.405 3.886 50 0 FHAARM O=C(/C=C\c1ccccc1)Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC000039930642 571066006 /nfs/dbraw/zinc/06/60/06/571066006.db2.gz CEGFSOVJYHYSSM-RAXLEYEMSA-N -1 0 353.399 3.738 50 0 FHAARM CN(Cc1ccccc1Cl)C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000040088291 571074333 /nfs/dbraw/zinc/07/43/33/571074333.db2.gz WAHXAHGVBMSONS-UHFFFAOYSA-N -1 0 359.838 3.924 50 0 FHAARM COc1ccc(NC(=O)c2c([O-])cc(Cl)cc2Cl)cc1NC(C)=O ZINC000072311848 571079105 /nfs/dbraw/zinc/07/91/05/571079105.db2.gz YUYTURNMECFHMW-UHFFFAOYSA-N -1 0 369.204 3.918 50 0 FHAARM O=C([O-])/C(=C/c1ccc(Cl)c(Cl)c1)n1nnnc1-c1ccccc1 ZINC000039931998 571089757 /nfs/dbraw/zinc/08/97/57/571089757.db2.gz GPOIOLNYIRMVIC-ZROIWOOFSA-N -1 0 361.188 3.730 50 0 FHAARM O=S(=O)([N-]c1ccn(-c2ccccc2)n1)c1cc(Cl)cc(Cl)c1 ZINC000012775246 571093776 /nfs/dbraw/zinc/09/37/76/571093776.db2.gz AVWVINPMEHFEND-UHFFFAOYSA-N -1 0 368.245 3.980 50 0 FHAARM C[C@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1nc2ccccc2[n-]1 ZINC000084651576 571094873 /nfs/dbraw/zinc/09/48/73/571094873.db2.gz JTOXSAISUNKCSI-SNVBAGLBSA-N -1 0 370.352 3.996 50 0 FHAARM CCOC(=O)N=c1[n-]nc(SCC(=O)c2cc(C)sc2C)s1 ZINC000084794453 571100347 /nfs/dbraw/zinc/10/03/47/571100347.db2.gz ADMYPYQJFCAOFF-UHFFFAOYSA-N -1 0 357.482 3.760 50 0 FHAARM O=C([O-])C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000004618986 571113544 /nfs/dbraw/zinc/11/35/44/571113544.db2.gz CSKGFBGBSIVICU-CYBMUJFWSA-N -1 0 367.323 3.857 50 0 FHAARM C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OS(=O)(=O)[O-])CC[C@@]43C)[C@H]1CCC2=O ZINC000247634467 571114078 /nfs/dbraw/zinc/11/40/78/571114078.db2.gz CZWCKYRVOZZJNM-UEFGCPDKSA-N -1 0 368.495 3.706 50 0 FHAARM COc1cc(Cl)c(C)cc1NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000174392958 571116313 /nfs/dbraw/zinc/11/63/13/571116313.db2.gz CVPXIYBXEITJQH-UHFFFAOYSA-N -1 0 371.824 3.697 50 0 FHAARM O=c1c2ccc([O-])c(CO)c2oc(C(F)(F)F)c1-c1ccc(F)cc1 ZINC000057312207 571122336 /nfs/dbraw/zinc/12/23/36/571122336.db2.gz DTMDEJZVUHXJJS-UHFFFAOYSA-N -1 0 354.255 3.816 50 0 FHAARM CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)CCc1cc(=O)[n-]o1 ZINC000072463058 571125861 /nfs/dbraw/zinc/12/58/61/571125861.db2.gz OHPJLFNTGOODDN-UHFFFAOYSA-N -1 0 352.390 3.764 50 0 FHAARM C[C@@H](C(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]21C ZINC000254766624 571140103 /nfs/dbraw/zinc/14/01/03/571140103.db2.gz MULSOMSXPSGJAM-CEANRHQXSA-N -1 0 364.526 3.698 50 0 FHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(C(F)(F)F)c4)c=3c2=O)cc1 ZINC000033114639 571155972 /nfs/dbraw/zinc/15/59/72/571155972.db2.gz AFCHXXFHDJJCDW-HUUCEWRRSA-N -1 0 374.322 3.512 50 0 FHAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000265577595 571162298 /nfs/dbraw/zinc/16/22/98/571162298.db2.gz MKEDPZQIPDVKLV-BBWFWOEESA-N -1 0 368.433 3.519 50 0 FHAARM Cc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2ccc(O)cc2)cc1 ZINC000004691217 571162580 /nfs/dbraw/zinc/16/25/80/571162580.db2.gz LFZZWSGOHNGQGD-UHFFFAOYSA-N -1 0 364.401 3.570 50 0 FHAARM O=C([O-])c1cn(-c2cccc(F)c2)c2c1NC(=O)C[C@H]2c1ccc(F)cc1 ZINC000035325379 571165470 /nfs/dbraw/zinc/16/54/70/571165470.db2.gz YPLQDHRUEOOVLY-HNNXBMFYSA-N -1 0 368.339 3.928 50 0 FHAARM O=C([O-])c1nc(SCC(=O)c2ccc(Cl)cc2)nc2ccccc21 ZINC000000624721 571166225 /nfs/dbraw/zinc/16/62/25/571166225.db2.gz UPNBYHWSFVLRHN-UHFFFAOYSA-N -1 0 358.806 3.956 50 0 FHAARM CC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000004706354 571167041 /nfs/dbraw/zinc/16/70/41/571167041.db2.gz JRESRVQKAJVLRK-GFCCVEGCSA-N -1 0 366.870 3.669 50 0 FHAARM CC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000004706365 571167094 /nfs/dbraw/zinc/16/70/94/571167094.db2.gz JRESRVQKAJVLRK-LBPRGKRZSA-N -1 0 366.870 3.669 50 0 FHAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2noc(C)n2)sc1C ZINC000035539076 571181188 /nfs/dbraw/zinc/18/11/88/571181188.db2.gz DEIRHOYTYJMNAW-UHFFFAOYSA-N -1 0 363.464 3.778 50 0 FHAARM O=S(=O)([N-]c1ccc(-c2nnc3n2CCCCC3)cc1)c1cccs1 ZINC000003398370 571182638 /nfs/dbraw/zinc/18/26/38/571182638.db2.gz LOJVRWWMSWZHDG-UHFFFAOYSA-N -1 0 374.491 3.534 50 0 FHAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)CCCc2ccccc2)cc1 ZINC000003624351 571186288 /nfs/dbraw/zinc/18/62/88/571186288.db2.gz WROVNWLCPGPLJA-LJQANCHMSA-N -1 0 355.434 3.740 50 0 FHAARM Cc1ccc2[nH]c(=O)c(-c3nc(-c4ccccc4Cl)no3)c([O-])c2c1 ZINC000075536711 571195463 /nfs/dbraw/zinc/19/54/63/571195463.db2.gz WAKFNBKAWVEGKE-UHFFFAOYSA-N -1 0 353.765 3.913 50 0 FHAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)cc1 ZINC000007057555 571259658 /nfs/dbraw/zinc/25/96/58/571259658.db2.gz HTSQBDLUGABSAB-UHFFFAOYSA-N -1 0 367.426 3.776 50 0 FHAARM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cn1 ZINC000007056548 571259707 /nfs/dbraw/zinc/25/97/07/571259707.db2.gz YVSMMGQGFUCJDM-UHFFFAOYSA-N -1 0 366.748 3.563 50 0 FHAARM O=C([O-])CCC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1 ZINC000170090683 571262181 /nfs/dbraw/zinc/26/21/81/571262181.db2.gz LFEJLOAXZPKULU-QGZVFWFLSA-N -1 0 356.809 3.883 50 0 FHAARM Cc1[n-]n(-c2ccccc2)c2ncc(C(=O)Nc3ccc(C)cc3C)c(=O)c1-2 ZINC000007424061 571265471 /nfs/dbraw/zinc/26/54/71/571265471.db2.gz RZZQNKRZBRWQOR-UHFFFAOYSA-N -1 0 372.428 3.891 50 0 FHAARM Cc1occc1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000037133244 571265502 /nfs/dbraw/zinc/26/55/02/571265502.db2.gz ASBMIDOANSONKB-UHFFFAOYSA-N -1 0 362.432 3.703 50 0 FHAARM Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)c1 ZINC000006706852 571276640 /nfs/dbraw/zinc/27/66/40/571276640.db2.gz LLJXMHAGWFHBJB-UHFFFAOYSA-N -1 0 372.490 3.730 50 0 FHAARM CCC(CC)n1nccc1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000236734460 571277142 /nfs/dbraw/zinc/27/71/42/571277142.db2.gz XMRPYALZJGDGAO-UHFFFAOYSA-N -1 0 369.465 3.503 50 0 FHAARM Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000170647676 571282088 /nfs/dbraw/zinc/28/20/88/571282088.db2.gz UJNRFNWRWMRMMS-XMMPIXPASA-N -1 0 360.460 3.556 50 0 FHAARM CC(=O)Nc1ccc(-c2nnc(SCc3cccc(C(=O)[O-])c3)o2)cc1 ZINC000007605195 571283903 /nfs/dbraw/zinc/28/39/03/571283903.db2.gz CTWWHHSRKOCJQJ-UHFFFAOYSA-N -1 0 369.402 3.686 50 0 FHAARM O=C([O-])c1cccc(Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)c1 ZINC000054752055 571289743 /nfs/dbraw/zinc/28/97/43/571289743.db2.gz WLWZEXBTIVKWGQ-UHFFFAOYSA-N -1 0 362.410 3.941 50 0 FHAARM CC(C)c1cccc(-n2cc([O-])c(C(=O)NCCc3cccs3)n2)c1 ZINC000078875609 571326315 /nfs/dbraw/zinc/32/63/15/571326315.db2.gz UBVZSPDINIVJCY-UHFFFAOYSA-N -1 0 355.463 3.735 50 0 FHAARM Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000095406707 571329345 /nfs/dbraw/zinc/32/93/45/571329345.db2.gz UGXAIWUUWYLEHT-MRXNPFEDSA-N -1 0 357.360 3.534 50 0 FHAARM CC1=Nc2c(c(=O)[nH]n2C2CCOCC2)[C@@H](c2ccc(C(=O)[O-])cc2)S1 ZINC000095477143 571330955 /nfs/dbraw/zinc/33/09/55/571330955.db2.gz DGLMQRIHKNGYDW-OAHLLOKOSA-N -1 0 373.434 3.525 50 0 FHAARM COC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)cc1 ZINC000055632034 571338164 /nfs/dbraw/zinc/33/81/64/571338164.db2.gz KFJUARULKFZRKW-UHFFFAOYSA-N -1 0 371.418 3.522 50 0 FHAARM CCCCCNC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000002970223 571343040 /nfs/dbraw/zinc/34/30/40/571343040.db2.gz RMLUUPONOFYONS-UHFFFAOYSA-N -1 0 361.511 3.926 50 0 FHAARM O=C([O-])Cc1sc(Nc2ccc3c(c2)OCCO3)nc1-c1ccccc1 ZINC000003406069 571349177 /nfs/dbraw/zinc/34/91/77/571349177.db2.gz OJRPGXFIKCFVFS-UHFFFAOYSA-N -1 0 368.414 3.952 50 0 FHAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000008109008 571358978 /nfs/dbraw/zinc/35/89/78/571358978.db2.gz AFYBHCHKTOJHNN-UHFFFAOYSA-N -1 0 357.378 3.563 50 0 FHAARM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000237107330 600198469 /nfs/dbraw/zinc/19/84/69/600198469.db2.gz MYQRCUCTVCZXLT-XPTSAGLGSA-N -1 0 353.827 3.606 50 0 FHAARM COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000262420672 600884003 /nfs/dbraw/zinc/88/40/03/600884003.db2.gz QBRDCJVOCAIQGQ-KKXDTOCCSA-N -1 0 353.418 3.602 50 0 FHAARM COCCOc1cccc(/C=C2\CCc3oc(C(=O)[O-])c(C)c3C2=O)c1 ZINC000066407793 940482640 /nfs/dbraw/zinc/48/26/40/940482640.db2.gz QFVORYLEZMPMMQ-GXDHUFHOSA-N -1 0 356.374 3.524 50 0 FHAARM Cc1cccc(NC(=O)N(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)n1 ZINC000555771790 944086116 /nfs/dbraw/zinc/08/61/16/944086116.db2.gz REMXVZLLWPDHPU-UHFFFAOYSA-N -1 0 367.327 3.528 50 0 FHAARM 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ZINC000065593629 221234827 /nfs/dbraw/zinc/23/48/27/221234827.db2.gz MUXGAJCMACPNBN-CQSZACIVSA-N -1 0 366.870 3.795 50 0 FHAARM O=C([O-])c1cn(-c2cccc(Cl)c2)c2c1NC(=O)C[C@@H]2C(F)(F)F ZINC000066089607 221239846 /nfs/dbraw/zinc/23/98/46/221239846.db2.gz WYDFNOAQGYZRHE-JTQLQIEISA-N -1 0 358.703 3.817 50 0 FHAARM O=C([O-])c1cn(-c2ccc(Cl)cc2)c2c1NC(=O)C[C@H]2C(F)(F)F ZINC000066091445 221239890 /nfs/dbraw/zinc/23/98/90/221239890.db2.gz BXWMNQSRWGRLMJ-SNVBAGLBSA-N -1 0 358.703 3.817 50 0 FHAARM C[C@@H]1CN(c2ccccc2NC(=O)c2c([O-])cc(F)cc2F)C[C@@H](C)O1 ZINC000095956703 132216140 /nfs/dbraw/zinc/21/61/40/132216140.db2.gz SXYLSPPRHSTDFS-VXGBXAGGSA-N -1 0 362.376 3.536 50 0 FHAARM O=C([O-])c1cccc(N2C(=O)c3cccc4c(Cl)ccc(c43)C2=O)c1 ZINC000000837259 132252066 /nfs/dbraw/zinc/25/20/66/132252066.db2.gz FQRFZMUCTZLERR-UHFFFAOYSA-N -1 0 351.745 3.992 50 0 FHAARM O=C([O-])c1ccc(N2C(=O)c3cccc4c(Cl)ccc(c43)C2=O)cc1 ZINC000003244658 132385023 /nfs/dbraw/zinc/38/50/23/132385023.db2.gz BRBGHBUCRDEPJC-UHFFFAOYSA-N -1 0 351.745 3.992 50 0 FHAARM CC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)cc1C(=O)[O-] ZINC000064589007 136133290 /nfs/dbraw/zinc/13/32/90/136133290.db2.gz SRGLGWLUPSDPAY-UHFFFAOYSA-N -1 0 352.434 3.802 50 0 FHAARM Cc1ccccc1C[C@]1(C(=O)[O-])CCCN(c2cc(C3CC3)ncn2)C1 ZINC000071759332 136140489 /nfs/dbraw/zinc/14/04/89/136140489.db2.gz DAEUNUDWWHEGCT-OAQYLSRUSA-N -1 0 351.450 3.576 50 0 FHAARM O=C([O-])C1(Oc2ccc(Cl)cc2)CCN(c2nc3ccccc3o2)CC1 ZINC000077555169 221643756 /nfs/dbraw/zinc/64/37/56/221643756.db2.gz FHJGAYYNHGHRLP-UHFFFAOYSA-N -1 0 372.808 3.984 50 0 FHAARM O=C([O-])C1CCN(C(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000097017390 222151036 /nfs/dbraw/zinc/15/10/36/222151036.db2.gz NUOOXESXSVPSEK-LSDHHAIUSA-N -1 0 370.474 3.669 50 0 FHAARM O=C([O-])CCn1c(=O)c2ccccc2nc1/C=C\c1ccc(Cl)cc1 ZINC000097035261 222153991 /nfs/dbraw/zinc/15/39/91/222153991.db2.gz AMFHHZDWJWVNJH-YFHOEESVSA-N -1 0 354.793 3.695 50 0 FHAARM CC[C@H]1CN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)[O-])CCO1 ZINC000097259341 222171565 /nfs/dbraw/zinc/17/15/65/222171565.db2.gz XVUWVESDHSQCHA-IBGZPJMESA-N -1 0 373.424 3.567 50 0 FHAARM C[C@@H](c1ccon1)N(C)Cc1ccc(OCc2ccc(C(=O)[O-])o2)cc1 ZINC000097259329 222172077 /nfs/dbraw/zinc/17/20/77/222172077.db2.gz SZYMAIWEHBBBLP-ZDUSSCGKSA-N -1 0 356.378 3.738 50 0 FHAARM O=C([O-])c1ccc(/C=C2/CCn3c2nc2cc(Cl)ccc2c3=O)cc1 ZINC000097992379 222218775 /nfs/dbraw/zinc/21/87/75/222218775.db2.gz UQYOFILEEMXBJW-LCYFTJDESA-N -1 0 352.777 3.692 50 0 FHAARM CCCCn1c(=O)c(C(=O)Nc2ncc(C)s2)c([O-])c2ccccc21 ZINC000100459646 222244388 /nfs/dbraw/zinc/24/43/88/222244388.db2.gz UXDADHALJJIHDJ-UHFFFAOYSA-N -1 0 357.435 3.524 50 0 FHAARM CCCn1c(=O)c(C(=O)NCc2ccccc2Cl)c([O-])c2ccccc21 ZINC000100512483 222246148 /nfs/dbraw/zinc/24/61/48/222246148.db2.gz GNAWYHMYEFSJLJ-UHFFFAOYSA-N -1 0 370.836 3.701 50 0 FHAARM O=C1C[C@H](N(O)c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000101127822 222263607 /nfs/dbraw/zinc/26/36/07/222263607.db2.gz OSPPXKCTEICBAA-AWEZNQCLSA-N -1 0 351.189 3.521 50 0 FHAARM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000165544116 222557253 /nfs/dbraw/zinc/55/72/53/222557253.db2.gz QHKDREJBVWDUCR-SECBINFHSA-N -1 0 372.368 3.560 50 0 FHAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Br)cc1Cl ZINC000000641754 263141516 /nfs/dbraw/zinc/14/15/16/263141516.db2.gz CDTMBCYJIUSLRM-UWVGGRQHSA-N -1 0 360.635 3.932 50 0 FHAARM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000006373248 263345407 /nfs/dbraw/zinc/34/54/07/263345407.db2.gz KFSNAKARRAYYOK-UHFFFAOYSA-N -1 0 360.218 3.581 50 0 FHAARM Cc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1C(=O)[O-] ZINC000028940216 263390500 /nfs/dbraw/zinc/39/05/00/263390500.db2.gz IPJCHKROVVVYOH-UHFFFAOYSA-N -1 0 359.325 3.513 50 0 FHAARM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c1C ZINC000079111615 521367970 /nfs/dbraw/zinc/36/79/70/521367970.db2.gz NMEXYWSCGKMBAV-UHFFFAOYSA-N -1 0 370.858 3.571 50 0 FHAARM CC[C@@H](C)[C@H](NC(=O)Cc1csc(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC000020719828 522374465 /nfs/dbraw/zinc/37/44/65/522374465.db2.gz ZTGTZCDGMLAQEQ-BMIGLBTASA-N -1 0 366.870 3.622 50 0 FHAARM O=C([O-])[C@@H]1CCCN1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000262626342 526275812 /nfs/dbraw/zinc/27/58/12/526275812.db2.gz FZRYAMUFRCMKQG-SFHVURJKSA-N -1 0 369.852 3.787 50 0 FHAARM O=C([O-])[C@@H]1CCN(C(=O)c2cc3sc(Nc4ccccc4)nc3s2)C1 ZINC000178269544 526279400 /nfs/dbraw/zinc/27/94/00/526279400.db2.gz BUICJZZFYLQXJD-SNVBAGLBSA-N -1 0 373.459 3.648 50 0 FHAARM Cc1cc2oc(-c3ccc(Br)cc3)c(CC(=O)[O-])c2c(=O)[nH]1 ZINC000604418968 568276410 /nfs/dbraw/zinc/27/64/10/568276410.db2.gz YKKJDKVJXODFNE-UHFFFAOYSA-N -1 0 362.179 3.898 50 0 FHAARM C[Si](C)(C)c1c(F)c(C(=O)[O-])c(Br)cc1Br ZINC000219789199 568304527 /nfs/dbraw/zinc/30/45/27/568304527.db2.gz OMPOISHAEIJDTB-UHFFFAOYSA-N -1 0 370.088 3.594 50 0 FHAARM Cc1c(C)c(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)c(C)c1C ZINC000024433213 568465359 /nfs/dbraw/zinc/46/53/59/568465359.db2.gz NESXNOKVTQXAHI-UHFFFAOYSA-N -1 0 365.426 3.867 50 0 FHAARM Cc1ccc2c(c1)c(CC(=O)Nc1ccc(C)c(F)c1)c(C(=O)[O-])n2C ZINC000004821733 570514950 /nfs/dbraw/zinc/51/49/50/570514950.db2.gz XUUDIQOCBXTWRX-UHFFFAOYSA-N -1 0 354.381 3.814 50 0 FHAARM CSc1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000002501314 570522622 /nfs/dbraw/zinc/52/26/22/570522622.db2.gz YBCILRPTJHKXNV-UHFFFAOYSA-N -1 0 358.282 3.972 50 0 FHAARM O=C([O-])CCC(=O)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 ZINC000033405878 570524247 /nfs/dbraw/zinc/52/42/47/570524247.db2.gz JLULDRWPVOVHHE-AISCIVHFSA-N -1 0 368.389 3.860 50 0 FHAARM CCCCOc1ccc([N-]S(=O)(=O)c2cc(F)ccc2OC)cc1 ZINC000002886608 570543075 /nfs/dbraw/zinc/54/30/75/570543075.db2.gz GPYFHGDHAOXTCI-UHFFFAOYSA-N -1 0 353.415 3.814 50 0 FHAARM COc1c(C)cc([C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)[O-])cc1C ZINC000221039070 570544802 /nfs/dbraw/zinc/54/48/02/570544802.db2.gz LELVUHMHGRFSDU-HOTGVXAUSA-N -1 0 363.454 3.880 50 0 FHAARM CCCCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccccc2N)N1 ZINC000004903185 570556826 /nfs/dbraw/zinc/55/68/26/570556826.db2.gz OWCFAHARQNKNMH-INIZCTEOSA-N -1 0 357.376 3.692 50 0 FHAARM O=C([O-])c1cc(Cl)cc(Cl)c1NS(=O)(=O)c1ccccc1F ZINC000003335172 570560890 /nfs/dbraw/zinc/56/08/90/570560890.db2.gz ZLAJEUNNFGHYBJ-UHFFFAOYSA-N -1 0 364.181 3.632 50 0 FHAARM Cc1cc(CS(=O)(=O)[N-]c2ccccc2SC2CCCC2)no1 ZINC000408518421 570565162 /nfs/dbraw/zinc/56/51/62/570565162.db2.gz GQUSZPCUSQZUCM-UHFFFAOYSA-N -1 0 352.481 3.960 50 0 FHAARM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000237540592 570565631 /nfs/dbraw/zinc/56/56/31/570565631.db2.gz PHYPRELBAPWWCA-ZIAGYGMSSA-N -1 0 371.399 3.987 50 0 FHAARM O=C([O-])CC(=O)Nc1ccccc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000004073762 570574606 /nfs/dbraw/zinc/57/46/06/570574606.db2.gz SIEKBQPWGCCNGS-UHFFFAOYSA-N -1 0 374.702 3.959 50 0 FHAARM Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000005034409 570577502 /nfs/dbraw/zinc/57/75/02/570577502.db2.gz UONXWXRIYVLXNB-MRXNPFEDSA-N -1 0 356.447 3.989 50 0 FHAARM CCOC(=O)c1nc2cc3n(c(CCC(=O)[O-])c-2c1C)[C@@H](C)C(C)=C3C ZINC000033728865 570578743 /nfs/dbraw/zinc/57/87/43/570578743.db2.gz IHLVRAJWDXKPQZ-ZDUSSCGKSA-N -1 0 356.422 3.858 50 0 FHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2csc(-c3ccc(F)cc3)n2)C1 ZINC000237974768 570585080 /nfs/dbraw/zinc/58/50/80/570585080.db2.gz OVOUYLXKVDIBKC-LBPRGKRZSA-N -1 0 362.426 3.666 50 0 FHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2conc2-c2ccc(Cl)cc2)C1 ZINC000237967521 570585155 /nfs/dbraw/zinc/58/51/55/570585155.db2.gz WIOZRPVGRMHWDN-LBPRGKRZSA-N -1 0 362.813 3.712 50 0 FHAARM CCc1ccc(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2OC)cc1 ZINC000005135091 570588885 /nfs/dbraw/zinc/58/88/85/570588885.db2.gz YYEQDJPBUWYYDF-UHFFFAOYSA-N -1 0 355.843 3.720 50 0 FHAARM COC(=O)c1c(-c2cc(C)ccc2C)csc1NC(=O)CCC(=O)[O-] ZINC000004614650 570597616 /nfs/dbraw/zinc/59/76/16/570597616.db2.gz KPHAHBCNTZWQLE-UHFFFAOYSA-N -1 0 361.419 3.622 50 0 FHAARM CCOC(=O)c1cc(C)sc1NC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000004651462 570598392 /nfs/dbraw/zinc/59/83/92/570598392.db2.gz HUXBYZKEVYINJX-CHWSQXEVSA-N -1 0 365.451 3.619 50 0 FHAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000004821246 570608629 /nfs/dbraw/zinc/60/86/29/570608629.db2.gz DANQTRBHKJMWOL-ZWKOTPCHSA-N -1 0 372.465 3.579 50 0 FHAARM O=C([O-])c1c2cc(I)ccc2nc2c1CCCCC2 ZINC000004993939 570617120 /nfs/dbraw/zinc/61/71/20/570617120.db2.gz UXNBOFUVCIPJDI-UHFFFAOYSA-N -1 0 367.186 3.807 50 0 FHAARM CCOc1ccc(-c2nc(C)c(C(=O)N3CCCC[C@H]3C(=O)[O-])s2)cc1 ZINC000136472721 570621782 /nfs/dbraw/zinc/62/17/82/570621782.db2.gz MDWFDSIUJJIAOZ-HNNXBMFYSA-N -1 0 374.462 3.597 50 0 FHAARM COCc1ccc([C@H]2CCCN2C(=O)c2ccc3[n-]c(=S)oc3c2)o1 ZINC000137463561 570625658 /nfs/dbraw/zinc/62/56/58/570625658.db2.gz JZJHLIPSSNAGHN-CQSZACIVSA-N -1 0 358.419 3.833 50 0 FHAARM O=c1c2ccc([O-])cc2oc(C(F)(F)F)c1-c1ccc2c(c1)OCCO2 ZINC000005522422 570629401 /nfs/dbraw/zinc/62/94/01/570629401.db2.gz WMEJTSIDRSRUHK-UHFFFAOYSA-N -1 0 364.275 3.956 50 0 FHAARM CCOc1ccc(-c2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)nn1 ZINC000005204302 570633194 /nfs/dbraw/zinc/63/31/94/570633194.db2.gz RDRRJFFBAJJGFE-UHFFFAOYSA-N -1 0 369.446 3.652 50 0 FHAARM Cc1cccc(C(C)C)c1NC(=O)CC1=S([O-])c2ccccc2NC1=O ZINC000005711399 570633990 /nfs/dbraw/zinc/63/39/90/570633990.db2.gz KQRBYTXXCUEBKM-QUGAMOGWSA-N -1 0 370.474 3.576 50 0 FHAARM Cn1cc(-c2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)cn1 ZINC000002730616 570669298 /nfs/dbraw/zinc/66/92/98/570669298.db2.gz XQHGWASMFZKTKA-UHFFFAOYSA-N -1 0 371.857 3.580 50 0 FHAARM CCc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCCC3)c([O-])n2n1 ZINC000022853007 570694696 /nfs/dbraw/zinc/69/46/96/570694696.db2.gz JJMVGKCJYSCCEM-AWEZNQCLSA-N -1 0 364.421 3.522 50 0 FHAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000012138543 570721485 /nfs/dbraw/zinc/72/14/85/570721485.db2.gz VDVYIGJNLDMODJ-UHFFFAOYSA-N -1 0 366.417 3.653 50 0 FHAARM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000004826120 570775006 /nfs/dbraw/zinc/77/50/06/570775006.db2.gz FMZSCRQOFUXXDX-LBPRGKRZSA-N -1 0 363.797 3.518 50 0 FHAARM CC[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000005656846 570777676 /nfs/dbraw/zinc/77/76/76/570777676.db2.gz ZBVPDSOQOHYJRI-VIFPVBQESA-N -1 0 366.266 3.645 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2cc3c(C)cc(=O)oc3c3ccoc32)cc1 ZINC000005681356 570813815 /nfs/dbraw/zinc/81/38/15/570813815.db2.gz RMLQYHMSLITJDV-UHFFFAOYSA-N -1 0 369.398 3.957 50 0 FHAARM CCc1ccc(-c2noc(-c3c([O-])c4ccc(F)cc4n(C)c3=O)n2)cc1 ZINC000101724910 570822548 /nfs/dbraw/zinc/82/25/48/570822548.db2.gz FUVNBXMUKVZZIW-UHFFFAOYSA-N -1 0 365.364 3.663 50 0 FHAARM O=C(N[C@H]1CCSc2ccccc21)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000047109207 570879682 /nfs/dbraw/zinc/87/96/82/570879682.db2.gz GUPFIRYZSLXFJC-ZDUSSCGKSA-N -1 0 369.471 3.965 50 0 FHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2onc(C)c2C)cs1 ZINC000044921023 570903042 /nfs/dbraw/zinc/90/30/42/570903042.db2.gz HWNGVSJFVKIZAB-UHFFFAOYSA-N -1 0 364.448 3.829 50 0 FHAARM O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000032601564 570953053 /nfs/dbraw/zinc/95/30/53/570953053.db2.gz AXKTYNROMLHFFS-UHFFFAOYSA-N -1 0 361.806 3.992 50 0 FHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000025209945 570992324 /nfs/dbraw/zinc/99/23/24/570992324.db2.gz KFAOUBUKXMLSPY-CABCVRRESA-N -1 0 370.430 3.606 50 0 FHAARM Cc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(C(=O)c2ccccc2)c1 ZINC000001050138 571069418 /nfs/dbraw/zinc/06/94/18/571069418.db2.gz PMOZITUTVPUJGO-DLBZAZTESA-N -1 0 363.413 3.832 50 0 FHAARM O=C([O-])c1ccc(C=C2NC(=S)N(c3ccccc3Cl)C2=O)cc1 ZINC000034890365 571075024 /nfs/dbraw/zinc/07/50/24/571075024.db2.gz HXMXUCBRSMJZDW-LCYFTJDESA-N -1 0 358.806 3.712 50 0 FHAARM CC(C)[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000040710635 571091707 /nfs/dbraw/zinc/09/17/07/571091707.db2.gz WVHQNPPGMKCPTP-GOSISDBHSA-N -1 0 353.418 3.882 50 0 FHAARM O=C([O-])c1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2cccc(F)c2)cc1 ZINC000040287856 571093452 /nfs/dbraw/zinc/09/34/52/571093452.db2.gz PZTGFDRBKNCTKO-HNNXBMFYSA-N -1 0 351.337 3.833 50 0 FHAARM COc1ccc2c(C)nc([N-]c3ncc4c(n3)CC(C)(C)CC4=O)nc2c1 ZINC000009361181 571106419 /nfs/dbraw/zinc/10/64/19/571106419.db2.gz ZYCQHKRZUSQFOL-UHFFFAOYSA-N -1 0 363.421 3.636 50 0 FHAARM O=C([O-])CCCC(=O)Nc1cccc(Nc2ncnc3ccccc32)c1 ZINC000041537237 571112695 /nfs/dbraw/zinc/11/26/95/571112695.db2.gz BNVDULCVLISDSM-UHFFFAOYSA-N -1 0 350.378 3.567 50 0 FHAARM O=C(c1cnc2ccc(F)cc2c1O)c1c[n-]c2ccc(F)cc2c1=O ZINC000252487943 571132623 /nfs/dbraw/zinc/13/26/23/571132623.db2.gz IFJLGUCDQVWYRO-UHFFFAOYSA-N -1 0 352.296 3.703 50 0 FHAARM Cc1ccc(C(C)C)c(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c1 ZINC000096675792 571146024 /nfs/dbraw/zinc/14/60/24/571146024.db2.gz YBTRSMJIUXDRGL-HOCLYGCPSA-N -1 0 363.454 3.960 50 0 FHAARM O=S(=O)([N-]c1c2ccccc2nc2c1CCCC2)c1ccc(F)c(F)c1 ZINC000005881843 571167530 /nfs/dbraw/zinc/16/75/30/571167530.db2.gz OLOPIPXJVAUJBY-UHFFFAOYSA-N -1 0 374.412 3.615 50 0 FHAARM COc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(C(=O)[O-])cs2)cc1 ZINC000006006976 571170460 /nfs/dbraw/zinc/17/04/60/571170460.db2.gz WSWQLECWQBCTGC-UHFFFAOYSA-N -1 0 369.324 3.721 50 0 FHAARM Cc1nc(C(C)C)sc1C(=O)N1CC[C@@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000072156383 571175089 /nfs/dbraw/zinc/17/50/89/571175089.db2.gz XZOFCSJZSPAFGH-HNNXBMFYSA-N -1 0 372.490 3.978 50 0 FHAARM CCOc1ccc(-c2noc(-c3c[n-]c4ccccc4c3=O)n2)cc1OC ZINC000035592663 571182589 /nfs/dbraw/zinc/18/25/89/571182589.db2.gz YDVXJORSKXTOCL-UHFFFAOYSA-N -1 0 363.373 3.652 50 0 FHAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(CC)cc1)O[C@H](C)C2 ZINC000012584887 571186730 /nfs/dbraw/zinc/18/67/30/571186730.db2.gz DECZHKGQLZKGFN-CYBMUJFWSA-N -1 0 361.463 3.772 50 0 FHAARM C[C@]12CC[C@@H]3[C@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)CCC(=O)[O-] ZINC000003977886 571190920 /nfs/dbraw/zinc/19/09/20/571190920.db2.gz PBKZPPIHUVSDNM-HCWGXPEJSA-N -1 0 358.478 3.890 50 0 FHAARM COc1cc(C(C)=NNc2ccccc2C(=O)[O-])ccc1OC(F)F ZINC000252505713 571202594 /nfs/dbraw/zinc/20/25/94/571202594.db2.gz MFGJZIRTFNNVRG-UHFFFAOYSA-N -1 0 350.321 3.831 50 0 FHAARM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(Br)s2)no1 ZINC000006502310 571205594 /nfs/dbraw/zinc/20/55/94/571205594.db2.gz QZRMQUKQYJNVKI-UHFFFAOYSA-N -1 0 365.274 3.597 50 0 FHAARM Cc1ccsc1CN(C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1)C1CC1 ZINC000426674273 571234796 /nfs/dbraw/zinc/23/47/96/571234796.db2.gz QRUQWQCFDHZDAR-KRWDZBQOSA-N -1 0 358.463 3.865 50 0 FHAARM O=C([O-])CCc1nc2ccccc2c2nc(-c3ccc(Cl)cc3)nn21 ZINC000585157928 571236175 /nfs/dbraw/zinc/23/61/75/571236175.db2.gz NUSCNMNPRKSMTO-UHFFFAOYSA-N -1 0 352.781 3.615 50 0 FHAARM CC(C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000006623182 571237266 /nfs/dbraw/zinc/23/72/66/571237266.db2.gz HDMWFWBROKPFOA-UHFFFAOYSA-N -1 0 359.856 3.768 50 0 FHAARM CCOc1cc(NC(=O)c2ccc(F)cc2F)c(C(=O)[O-])cc1OCC ZINC000006649911 571238745 /nfs/dbraw/zinc/23/87/45/571238745.db2.gz CJSZYKDOGPGXQP-UHFFFAOYSA-N -1 0 365.332 3.713 50 0 FHAARM O=C([O-])CCCCCNC(=O)Cc1csc(-c2cccc(Cl)c2)n1 ZINC000036366657 571250306 /nfs/dbraw/zinc/25/03/06/571250306.db2.gz QSUJHVADEQZITL-UHFFFAOYSA-N -1 0 366.870 3.767 50 0 FHAARM CCCn1c2ccsc2c([O-])c(C(=O)Nc2cc(F)ccc2C)c1=O ZINC000065215492 571256775 /nfs/dbraw/zinc/25/67/75/571256775.db2.gz ZJMKQZMFDMNJKZ-UHFFFAOYSA-N -1 0 360.410 3.878 50 0 FHAARM Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)N[C@H](C)C(=O)[O-] ZINC000036575214 571257378 /nfs/dbraw/zinc/25/73/78/571257378.db2.gz GWUIUTXWBDSPQM-SSDOTTSWSA-N -1 0 359.234 3.628 50 0 FHAARM Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000169970491 571259598 /nfs/dbraw/zinc/25/95/98/571259598.db2.gz PLYUNXGIAIIWPW-UHFFFAOYSA-N -1 0 372.465 3.595 50 0 FHAARM C[C@@](CC(=O)[O-])(C(=O)Nc1ccc(N2CCCC2=O)cc1)C1CCCCC1 ZINC000169975495 571259787 /nfs/dbraw/zinc/25/97/87/571259787.db2.gz NCKJZHZWYATCFH-NRFANRHFSA-N -1 0 372.465 3.813 50 0 FHAARM C[C@](CC(=O)[O-])(C(=O)Nc1ccc(N2CCCC2=O)cc1)C1CCCCC1 ZINC000169975492 571259792 /nfs/dbraw/zinc/25/97/92/571259792.db2.gz NCKJZHZWYATCFH-OAQYLSRUSA-N -1 0 372.465 3.813 50 0 FHAARM CC(=O)Nc1cccc(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)c1C ZINC000169975514 571259823 /nfs/dbraw/zinc/25/98/23/571259823.db2.gz ORIYIXBYGAGDKM-HXUWFJFHSA-N -1 0 360.454 3.953 50 0 FHAARM CC[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1ccc(Cl)cc1 ZINC000065623538 571265715 /nfs/dbraw/zinc/26/57/15/571265715.db2.gz FDHNJWDVEUYNRC-AWEZNQCLSA-N -1 0 373.865 3.746 50 0 FHAARM CCCCc1nc2cc(NC(=O)Cc3cccc(C(=O)[O-])c3)ccc2[nH]1 ZINC000170592284 571266184 /nfs/dbraw/zinc/26/61/84/571266184.db2.gz JDWNYVVUKGPWKX-UHFFFAOYSA-N -1 0 351.406 3.785 50 0 FHAARM O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cccc(Cl)c1 ZINC000089827793 571273448 /nfs/dbraw/zinc/27/34/48/571273448.db2.gz ITPCDKKAGUXLJZ-KRWDZBQOSA-N -1 0 356.809 3.883 50 0 FHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2csc(-c3ccsc3)n2)C1 ZINC000237975188 571277438 /nfs/dbraw/zinc/27/74/38/571277438.db2.gz NLEVFYRHFHCCQL-NSHDSACASA-N -1 0 350.465 3.589 50 0 FHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000237961949 571277441 /nfs/dbraw/zinc/27/74/41/571277441.db2.gz FONXIIVMVQKTGJ-APHBMKBZSA-N -1 0 369.383 3.912 50 0 FHAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000393033416 571277564 /nfs/dbraw/zinc/27/75/64/571277564.db2.gz DQRUYKHSKPAWJJ-DFBGVHRSSA-N -1 0 361.829 3.608 50 0 FHAARM CCCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000054500413 571278794 /nfs/dbraw/zinc/27/87/94/571278794.db2.gz KMLXRJBJPMGLHP-CHWSQXEVSA-N -1 0 364.829 3.684 50 0 FHAARM Cc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000253429554 571313221 /nfs/dbraw/zinc/31/32/21/571313221.db2.gz DBZJGRCJOVTILD-GOSISDBHSA-N -1 0 354.381 3.677 50 0 FHAARM Nc1nc(-c2cc(Br)c([O-])c(Br)c2)cs1 ZINC000091302230 571318843 /nfs/dbraw/zinc/31/88/43/571318843.db2.gz TVVNJOYDGIBGTN-UHFFFAOYSA-N -1 0 350.035 3.623 50 0 FHAARM O=c1[n-]c(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)n[nH]1 ZINC000092869682 571323439 /nfs/dbraw/zinc/32/34/39/571323439.db2.gz YVGRDQYGGOHKJE-UHFFFAOYSA-N -1 0 350.403 3.712 50 0 FHAARM COc1cc(C(=O)[O-])cc(NC(=O)[C@H]2C[C@H]2c2ccc(C)s2)c1OC ZINC000095424829 571329514 /nfs/dbraw/zinc/32/95/14/571329514.db2.gz HQGNOERYWIIAIP-NEPJUHHUSA-N -1 0 361.419 3.514 50 0 FHAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000095425252 571329567 /nfs/dbraw/zinc/32/95/67/571329567.db2.gz OWLNOJZRMUURSF-UHFFFAOYSA-N -1 0 359.809 3.782 50 0 FHAARM Cc1cccc(NC(=O)CCCn2c(=O)c3sccc3[n-]c2=S)c1 ZINC000002925453 571341820 /nfs/dbraw/zinc/34/18/20/571341820.db2.gz KHCJTRPTJYKRSI-UHFFFAOYSA-N -1 0 359.476 3.848 50 0 FHAARM C[C@H]1CCCC[C@@H]1NC(=O)CCCn1c(=O)c2ccccc2[n-]c1=S ZINC000002972093 571343105 /nfs/dbraw/zinc/34/31/05/571343105.db2.gz PUYPSIUVFXFIKK-ZFWWWQNUSA-N -1 0 359.495 3.534 50 0 FHAARM O=S(=O)([N-]c1ccc(-c2nc3cccnc3s2)cc1)c1cccnc1 ZINC000004036349 571354410 /nfs/dbraw/zinc/35/44/10/571354410.db2.gz VBIOJPMROQRZBY-UHFFFAOYSA-N -1 0 368.443 3.554 50 0 FHAARM Cc1nc2sc([C@H](c3ccco3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000004121037 571355776 /nfs/dbraw/zinc/35/57/76/571355776.db2.gz LGBUTYWRDCVEMH-INIZCTEOSA-N -1 0 366.446 3.546 50 0 FHAARM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000008132517 571359403 /nfs/dbraw/zinc/35/94/03/571359403.db2.gz FXRPIOZPMPTHLN-UHFFFAOYSA-N -1 0 370.268 3.875 50 0 FHAARM COc1ccccc1/C=C(/C(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000237293908 597018169 /nfs/dbraw/zinc/01/81/69/597018169.db2.gz UFKXDSANSSAMLA-XDJHFCHBSA-N -1 0 365.429 3.559 50 0 FHAARM Cc1cc(Br)oc1C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000263011380 939093311 /nfs/dbraw/zinc/09/33/11/939093311.db2.gz LNPZUJQZILIVNU-ZDUSSCGKSA-N -1 0 366.211 3.523 50 0 FHAARM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1nnc(CC2CCCC2)o1 ZINC000194899234 940114721 /nfs/dbraw/zinc/11/47/21/940114721.db2.gz HCUWQKBHSDPCJP-UHFFFAOYSA-N -1 0 355.847 3.565 50 0 FHAARM Cc1ccc(C)c(S(=O)(=O)NN=Cc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000254402851 947539775 /nfs/dbraw/zinc/53/97/75/947539775.db2.gz LRMYLYAWWIZUHK-UHFFFAOYSA-N -1 0 373.261 3.628 50 0 FHAARM O=C(NC1CCCCC1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000000687774 210262779 /nfs/dbraw/zinc/26/27/79/210262779.db2.gz DTLMHVMFHFJJOV-UHFFFAOYSA-N -1 0 364.492 3.611 50 0 FHAARM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000170649463 222612487 /nfs/dbraw/zinc/61/24/87/222612487.db2.gz FWATUZYDKGTKNT-SSINHNECSA-N -1 0 374.487 3.687 50 0 FHAARM O=C([O-])c1ccc(NC(=S)NC(=O)c2cccc3ccccc32)cc1 ZINC000000311433 210250761 /nfs/dbraw/zinc/25/07/61/210250761.db2.gz AXTSOKFHCKYXAB-UHFFFAOYSA-N -1 0 350.399 3.665 50 0 FHAARM COc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cc1OC ZINC000001061053 210225630 /nfs/dbraw/zinc/22/56/30/210225630.db2.gz DGGQKCBHUUEWHT-UHFFFAOYSA-N -1 0 361.419 3.595 50 0 FHAARM O=C([O-])c1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000001160404 219384217 /nfs/dbraw/zinc/38/42/17/219384217.db2.gz UPLTWLCMPVEQHN-XCVCLJGOSA-N -1 0 360.822 3.565 50 0 FHAARM O=C([O-])CC[C@H]1CCCCN1C(=O)Cc1csc(-c2cccs2)n1 ZINC000237987354 222911944 /nfs/dbraw/zinc/91/19/44/222911944.db2.gz WLGWIRVOMQVHAO-CYBMUJFWSA-N -1 0 364.492 3.660 50 0 FHAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2csc(CCc3ccccc3)n2)C1 ZINC000238022337 222912500 /nfs/dbraw/zinc/91/25/00/222912500.db2.gz YXJPMADMXYDBOK-MRXNPFEDSA-N -1 0 372.490 3.645 50 0 FHAARM CC[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1ccccc1OC ZINC000063809815 212034072 /nfs/dbraw/zinc/03/40/72/212034072.db2.gz IDQYJBHQJJGNEU-CQSZACIVSA-N -1 0 369.446 3.888 50 0 FHAARM C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000063809586 212033041 /nfs/dbraw/zinc/03/30/41/212033041.db2.gz WNXHOYZZKOWPPU-JTQLQIEISA-N -1 0 357.410 3.970 50 0 FHAARM O=C([O-])c1ccc(CSCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000012817453 220034048 /nfs/dbraw/zinc/03/40/48/220034048.db2.gz WKYOYUQCUCKTPX-UHFFFAOYSA-N -1 0 359.491 3.703 50 0 FHAARM Cc1sc2ncnc(-n3cc(C(=O)c4cc(F)ccc4[O-])cn3)c2c1C ZINC000058377771 212008224 /nfs/dbraw/zinc/00/82/24/212008224.db2.gz RMGYMSRGOLONJN-UHFFFAOYSA-N -1 0 368.393 3.570 50 0 FHAARM O=C([O-])COc1ccc(/C=C2/SC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000040366232 211976962 /nfs/dbraw/zinc/97/69/62/211976962.db2.gz XJJTWSHVADOZAF-OQLLNIDSSA-N -1 0 373.361 3.530 50 0 FHAARM CCn1nc(C)c(-c2cc(C(=O)[O-])n3ncc(-c4ccccc4)c3n2)c1C ZINC000013645308 211785235 /nfs/dbraw/zinc/78/52/35/211785235.db2.gz VLDNPMOIQAPCJJ-UHFFFAOYSA-N -1 0 361.405 3.595 50 0 FHAARM Cc1c(C(=O)Nc2ccc(C(=O)[O-])cc2)nnn1-c1ccc(C(C)C)cc1 ZINC000016578794 220187595 /nfs/dbraw/zinc/18/75/95/220187595.db2.gz KNCNVYFBHHVFFI-UHFFFAOYSA-N -1 0 364.405 3.650 50 0 FHAARM COCCn1c2ccccc2nc1[C@H](CNc1cccc(C)c1)CC(=O)[O-] ZINC000017135410 220207027 /nfs/dbraw/zinc/20/70/27/220207027.db2.gz RNLHBGQAYAYRNT-INIZCTEOSA-N -1 0 367.449 3.662 50 0 FHAARM COc1ccc(CC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1OC ZINC000018042242 220221996 /nfs/dbraw/zinc/22/19/96/220221996.db2.gz XJPQLULVVFKGCA-UHFFFAOYSA-N -1 0 356.205 3.897 50 0 FHAARM O=C([O-])CCn1c(=O)c2ccccc2nc1/C=C/c1ccc(Cl)cc1 ZINC000029737005 211516819 /nfs/dbraw/zinc/51/68/19/211516819.db2.gz AMFHHZDWJWVNJH-JXMROGBWSA-N -1 0 354.793 3.695 50 0 FHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000025209931 211425632 /nfs/dbraw/zinc/42/56/32/211425632.db2.gz KFAOUBUKXMLSPY-LSDHHAIUSA-N -1 0 370.430 3.606 50 0 FHAARM CN(Cc1nc(=O)c2sccc2[n-]1)Cc1cccc(Cl)c1Cl ZINC000021920454 211331104 /nfs/dbraw/zinc/33/11/04/211331104.db2.gz QQUXQZZSKFRZHM-UHFFFAOYSA-N -1 0 354.262 3.923 50 0 FHAARM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000020574896 211288206 /nfs/dbraw/zinc/28/82/06/211288206.db2.gz PLOXIHMEXSGWPH-UHFFFAOYSA-N -1 0 364.467 3.534 50 0 FHAARM CCn1ncc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)c1C ZINC000017073783 211177809 /nfs/dbraw/zinc/17/78/09/211177809.db2.gz OPIDHZGEGAUSGY-UHFFFAOYSA-N -1 0 357.435 3.805 50 0 FHAARM COc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(OC)c1 ZINC000016147540 211154845 /nfs/dbraw/zinc/15/48/45/211154845.db2.gz HEHJUMATFRZTQC-UHFFFAOYSA-N -1 0 361.341 3.523 50 0 FHAARM O=C(c1nn(-c2c(Cl)cc(Cl)cc2Cl)c(=O)[n-]1)c1ccccc1 ZINC000015444167 211129934 /nfs/dbraw/zinc/12/99/34/211129934.db2.gz XIROJUYSUUWXIX-UHFFFAOYSA-N -1 0 368.607 3.752 50 0 FHAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NC1CCCCCCC1 ZINC000014199373 211085317 /nfs/dbraw/zinc/08/53/17/211085317.db2.gz GNHPEHLVBNRCQB-UHFFFAOYSA-N -1 0 373.472 3.775 50 0 FHAARM O=C([O-])C1CCN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000013261796 211028703 /nfs/dbraw/zinc/02/87/03/211028703.db2.gz NQLTYZXMBURNTB-UHFFFAOYSA-N -1 0 367.323 3.902 50 0 FHAARM Cc1ccc(-c2nnc(SCCOc3ccccc3F)[n-]c2=O)cc1 ZINC000012976503 211013789 /nfs/dbraw/zinc/01/37/89/211013789.db2.gz CBGGESWAVGURDA-UHFFFAOYSA-N -1 0 357.410 3.863 50 0 FHAARM O=C([O-])[C@H]1CCCN1c1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000012357720 210944813 /nfs/dbraw/zinc/94/48/13/210944813.db2.gz AVKPJZHXEUIJAH-GFCCVEGCSA-N -1 0 371.746 3.869 50 0 FHAARM O=C([O-])c1ccc([C@@H]2CC(=O)Nc3n[nH]c(-c4ccc(Cl)cc4)c32)cc1 ZINC000009421588 210832819 /nfs/dbraw/zinc/83/28/19/210832819.db2.gz HKJDDJUPHPJONH-AWEZNQCLSA-N -1 0 367.792 3.902 50 0 FHAARM CCC(=O)c1ccc(OCC(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000008129629 210769981 /nfs/dbraw/zinc/76/99/81/210769981.db2.gz LQQJDYQGGMEDCP-UHFFFAOYSA-N -1 0 361.781 3.648 50 0 FHAARM CCOc1cc(C(=O)[O-])ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000006960799 210721645 /nfs/dbraw/zinc/72/16/45/210721645.db2.gz YQVBPBGLGIRGKY-UHFFFAOYSA-N -1 0 363.797 3.763 50 0 FHAARM CCOC(=O)c1sc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1C ZINC000006847279 210710375 /nfs/dbraw/zinc/71/03/75/210710375.db2.gz NQBBONBIWBZYEI-UHFFFAOYSA-N -1 0 353.440 3.597 50 0 FHAARM CCCN1C(=O)N/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C1=O ZINC000004739668 210558621 /nfs/dbraw/zinc/55/86/21/210558621.db2.gz USXKJRHEFQQRHF-NTEUORMPSA-N -1 0 374.780 3.601 50 0 FHAARM COc1cccc(Oc2ccc(C(F)(F)F)cc2[N-]S(C)(=O)=O)c1 ZINC000003434588 210477392 /nfs/dbraw/zinc/47/73/92/210477392.db2.gz LIXZDPKIYRBIMC-UHFFFAOYSA-N -1 0 361.341 3.878 50 0 FHAARM O=C([O-])c1cnn2c1nc(-c1ccc(Br)cc1)cc2C(F)F ZINC000002771120 210421276 /nfs/dbraw/zinc/42/12/76/210421276.db2.gz QXYMFOJDYYUIHB-UHFFFAOYSA-N -1 0 368.137 3.795 50 0 FHAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000002243688 210387076 /nfs/dbraw/zinc/38/70/76/210387076.db2.gz BHDMUBZVWRSQOT-UONOGXRCSA-N -1 0 351.402 3.778 50 0 FHAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000002382441 210395684 /nfs/dbraw/zinc/39/56/84/210395684.db2.gz QCXSJRUEERTHEK-OLZOCXBDSA-N -1 0 359.344 3.741 50 0 FHAARM O=C([O-])[C@@H](CC1CC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002392277 210394776 /nfs/dbraw/zinc/39/47/76/210394776.db2.gz DRGUEWQZLABTFG-LJQANCHMSA-N -1 0 351.402 3.778 50 0 FHAARM CC(C)CC[C@H](C(=O)[O-])[C@H](C)CC(=O)Nc1ccn(-c2ccccc2)n1 ZINC000002062087 210379118 /nfs/dbraw/zinc/37/91/18/210379118.db2.gz VHLWRSHMNSBDCC-WBVHZDCISA-N -1 0 357.454 3.974 50 0 FHAARM COc1ccc(-c2cc(=O)oc3c(C)c(O[C@H](C)C(=O)[O-])ccc23)cc1 ZINC000002114862 210380441 /nfs/dbraw/zinc/38/04/41/210380441.db2.gz YWJDOKHHRVZPLV-GFCCVEGCSA-N -1 0 354.358 3.629 50 0 biogenic FHAARM O=C1[N-]C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N1 ZINC000001167361 210329460 /nfs/dbraw/zinc/32/94/60/210329460.db2.gz MHLKWYRNNPNYHV-VIZOYTHASA-N -1 0 363.200 3.753 50 0 FHAARM CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000001146888 210324126 /nfs/dbraw/zinc/32/41/26/210324126.db2.gz AYTBIXUWDBAWCR-CQSZACIVSA-N -1 0 357.406 3.681 50 0 FHAARM O=C([O-])c1cccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c1 ZINC000000991008 210299528 /nfs/dbraw/zinc/29/95/28/210299528.db2.gz XROMSNNVKZCXLL-UHFFFAOYSA-N -1 0 366.398 3.951 50 0 FHAARM Cn1nc(-c2ccc(Cl)cc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000001033896 210305437 /nfs/dbraw/zinc/30/54/37/210305437.db2.gz WZPKGUXVQAJXHO-UHFFFAOYSA-N -1 0 365.817 3.680 50 0 FHAARM COc1ccccc1[C@@H]1CC(c2ccccc2)=NN1C(=O)CCCC(=O)[O-] ZINC000000907714 210289313 /nfs/dbraw/zinc/28/93/13/210289313.db2.gz XNAGMJUKODEKFT-SFHVURJKSA-N -1 0 366.417 3.628 50 0 FHAARM CC(C)(C)c1ccc(OCCS(=O)(=O)c2nc3ccccc3[n-]2)cc1 ZINC000000790006 210270898 /nfs/dbraw/zinc/27/08/98/210270898.db2.gz WYNLHSFGSAJTNG-UHFFFAOYSA-N -1 0 358.463 3.713 50 0 FHAARM Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c(C(=O)[O-])c1 ZINC000058354961 221115481 /nfs/dbraw/zinc/11/54/81/221115481.db2.gz BOVXBIFXJAAFGK-UHFFFAOYSA-N -1 0 359.325 3.513 50 0 FHAARM COc1cc(-c2ccno2)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000064979512 221160902 /nfs/dbraw/zinc/16/09/02/221160902.db2.gz VRHATWQHXWMFLL-UHFFFAOYSA-N -1 0 364.810 3.804 50 0 FHAARM CCc1ccc([N-]S(=O)(=O)c2ccc(-c3ccno3)cc2OC)cc1 ZINC000064979528 221161064 /nfs/dbraw/zinc/16/10/64/221161064.db2.gz ZHHJOBXNWSTIAV-UHFFFAOYSA-N -1 0 358.419 3.713 50 0 FHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2ccno2)cc1OC ZINC000064979585 221160569 /nfs/dbraw/zinc/16/05/69/221160569.db2.gz YWPSFYKCFQIBSN-UHFFFAOYSA-N -1 0 374.418 3.550 50 0 FHAARM Cc1nn2c(nc(C(C)C)c2S(=O)(=O)[N-]c2cccc(Cl)c2)s1 ZINC000065183949 221176558 /nfs/dbraw/zinc/17/65/58/221176558.db2.gz AJBQLQHTZDXQLV-UHFFFAOYSA-N -1 0 370.887 3.677 50 0 FHAARM COc1cccc([N-]S(=O)(=O)c2ccc(-c3onc(C)c3C)s2)c1 ZINC000065031207 221164886 /nfs/dbraw/zinc/16/48/86/221164886.db2.gz BTKUQXVGNBNQJN-UHFFFAOYSA-N -1 0 364.448 3.829 50 0 FHAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3cc[nH]n3)cs2)cc1Cl ZINC000065112322 221169420 /nfs/dbraw/zinc/16/94/20/221169420.db2.gz UMNSZTYYOWDGAS-UHFFFAOYSA-N -1 0 369.855 3.601 50 0 FHAARM Cc1ccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)CCCC4)cc1 ZINC000065150368 221172866 /nfs/dbraw/zinc/17/28/66/221172866.db2.gz HWLDLCKDBIWCGP-UHFFFAOYSA-N -1 0 354.431 3.735 50 0 FHAARM CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)o2)cc1 ZINC000065246432 221187415 /nfs/dbraw/zinc/18/74/15/221187415.db2.gz KYZVZTBWRPIJOW-UHFFFAOYSA-N -1 0 373.434 3.960 50 0 FHAARM Cc1cn(CCn2cnc(-c3ccccc3)c2-c2ccccc2C(=O)[O-])nn1 ZINC000065433318 221218842 /nfs/dbraw/zinc/21/88/42/221218842.db2.gz ZLBFAEDVLSMIBL-UHFFFAOYSA-N -1 0 373.416 3.515 50 0 FHAARM O=C([O-])c1nnn(-c2cc(C(F)(F)F)ccc2Cl)c1-c1ccncc1 ZINC000071327494 221342266 /nfs/dbraw/zinc/34/22/66/221342266.db2.gz SUDOBBXXGMPBKF-UHFFFAOYSA-N -1 0 368.702 3.700 50 0 FHAARM O=C([O-])[C@]1(Cc2ccc(F)cc2)CCCN(c2cnc3ccccc3n2)C1 ZINC000071589785 136139426 /nfs/dbraw/zinc/13/94/26/136139426.db2.gz QOJJQLHBNKABBR-NRFANRHFSA-N -1 0 365.408 3.683 50 0 FHAARM O=C([O-])[C@]1(C/C=C/c2ccccc2)CCCN(c2ncnc3c2CCC3)C1 ZINC000071576142 136139460 /nfs/dbraw/zinc/13/94/60/136139460.db2.gz IFYACYGMKKUWJF-FSNDINTDSA-N -1 0 363.461 3.740 50 0 FHAARM O=C([O-])c1cc(N2CCO[C@@H](c3ccc(F)cc3)C2)nc2ccccc21 ZINC000071681570 136139590 /nfs/dbraw/zinc/13/95/90/136139590.db2.gz DAYHFCQZBWXIBQ-GOSISDBHSA-N -1 0 352.365 3.650 50 0 FHAARM Cc1ccccc1C[C@@]1(C(=O)[O-])CCCN(c2cnc3ccccc3n2)C1 ZINC000071746748 136140012 /nfs/dbraw/zinc/14/00/12/136140012.db2.gz DYDBXBYAIJLOSI-QFIPXVFZSA-N -1 0 361.445 3.852 50 0 FHAARM O=C([O-])[C@]1(C/C=C/c2ccccc2)CCCN(c2ncnc3[nH]ccc32)C1 ZINC000071767846 136140882 /nfs/dbraw/zinc/14/08/82/136140882.db2.gz AIVOFHDJPKZQNO-FAZYEBOESA-N -1 0 362.433 3.733 50 0 FHAARM Cc1nc(C(C)C)sc1C(=O)N[C@@]1(C(=O)[O-])CCCc2ccccc21 ZINC000095496792 221923235 /nfs/dbraw/zinc/92/32/35/221923235.db2.gz TXTHTCSNSMAJKW-IBGZPJMESA-N -1 0 358.463 3.621 50 0 FHAARM CCCOc1ccc2cc(S(=O)(=O)[N-]c3cc(C)ccn3)ccc2c1 ZINC000096305739 222113706 /nfs/dbraw/zinc/11/37/06/222113706.db2.gz LPAXXPVOTFSQFR-UHFFFAOYSA-N -1 0 356.447 3.555 50 0 FHAARM O=C([O-])CCc1ccc(OCc2nc(-c3ccccc3)no2)c(Cl)c1 ZINC000097166020 222166212 /nfs/dbraw/zinc/16/62/12/222166212.db2.gz FSTOZSRWYHDMLY-UHFFFAOYSA-N -1 0 358.781 3.986 50 0 FHAARM COc1ccccc1Cc1nc(CCCC(=O)[O-])n(C2CCCCC2)n1 ZINC000097480005 222184649 /nfs/dbraw/zinc/18/46/49/222184649.db2.gz MCVGWVICFAXARU-UHFFFAOYSA-N -1 0 357.454 3.790 50 0 FHAARM CCCC[C@@H]1[C@H]2C(=O)N(c3ccccc3C)C(=O)[C@H]2ON1c1ccccc1 ZINC000101038470 222260321 /nfs/dbraw/zinc/26/03/21/222260321.db2.gz SXZFTHLDQXMSFV-AQNXPRMDSA-N -1 0 364.445 3.864 50 0 FHAARM CC[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O)c1cccs1 ZINC000103469594 222336441 /nfs/dbraw/zinc/33/64/41/222336441.db2.gz DEHHAMMUHMLILV-ZDUSSCGKSA-N -1 0 373.503 3.648 50 0 FHAARM O=C([O-])C1=Nc2nc(SCc3ccccc3)nn2[C@@H](c2cccs2)C1 ZINC000101598713 222279256 /nfs/dbraw/zinc/27/92/56/222279256.db2.gz IYNUEFHBIWBYKX-CYBMUJFWSA-N -1 0 370.459 3.615 50 0 FHAARM Cc1nc(-n2[n-]c(C)c(CC(=O)Nc3cccc(C)c3C)c2=O)sc1C ZINC000101831580 222285144 /nfs/dbraw/zinc/28/51/44/222285144.db2.gz KRXZQIMENJLQNR-UHFFFAOYSA-N -1 0 370.478 3.758 50 0 FHAARM Cc1c(Cl)cccc1NCc1cc(=O)n2nc(-c3cccs3)[n-]c2n1 ZINC000101842164 222285982 /nfs/dbraw/zinc/28/59/82/222285982.db2.gz YXTOQUFJLAPGAP-UHFFFAOYSA-N -1 0 371.853 3.720 50 0 FHAARM CCn1c(=O)c2ccc(C(=O)N(C)[C@@H](C)c3ccccc3)cc2[n-]c1=S ZINC000102179504 222290446 /nfs/dbraw/zinc/29/04/46/222290446.db2.gz AJBAERHCMCNGKH-ZDUSSCGKSA-N -1 0 367.474 3.538 50 0 FHAARM CCc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(CC)c3=O)cc1 ZINC000102343448 222295523 /nfs/dbraw/zinc/29/55/23/222295523.db2.gz MEUWZNCCVKTUBA-UHFFFAOYSA-N -1 0 353.447 3.520 50 0 FHAARM COc1cc(OC)cc([C@H]2Nc3nonc3N=C3CC(C)(C)CC(=O)C32)c1 ZINC000102736236 222306629 /nfs/dbraw/zinc/30/66/29/222306629.db2.gz HWBOESPTCOYUAW-MRXNPFEDSA-N -1 0 370.409 3.958 50 0 FHAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(-c3ccco3)cc2)C1 ZINC000091656602 523494465 /nfs/dbraw/zinc/49/44/65/523494465.db2.gz HHLQEJUJGQHLCP-OAQYLSRUSA-N -1 0 371.433 3.680 50 0 FHAARM O=C([O-])CCCC(=O)Nc1ccc(Cl)c(NC(=O)Cc2ccccc2)c1 ZINC000019925567 527576382 /nfs/dbraw/zinc/57/63/82/527576382.db2.gz QNOPMMUGOFWNEU-UHFFFAOYSA-N -1 0 374.824 3.715 50 0 FHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000000627620 567881640 /nfs/dbraw/zinc/88/16/40/567881640.db2.gz GIQIGBNLIDRIFG-CVEARBPZSA-N -1 0 364.401 3.544 50 0 FHAARM Cc1cc2oc(-c3ccc(O)cc3)c(-c3c([O-])cc(C)oc3=O)c2c(=O)o1 ZINC000604403850 568273978 /nfs/dbraw/zinc/27/39/78/568273978.db2.gz AKOLTNBIOJPHMM-UHFFFAOYSA-N -1 0 366.325 3.701 50 0 FHAARM Cc1ccc(F)cc1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000095067906 570451195 /nfs/dbraw/zinc/45/11/95/570451195.db2.gz MDOINHWWFXHNHA-UHFFFAOYSA-N -1 0 362.195 3.837 50 0 FHAARM Cn1c(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)cc2ccccc21 ZINC000095360605 570453840 /nfs/dbraw/zinc/45/38/40/570453840.db2.gz PIAPALITIUGRMS-SFHVURJKSA-N -1 0 362.429 3.896 50 0 FHAARM O=C([O-])C[C@H]1c2ccccc2CCN1C(=O)c1ccc2cccc(F)c2n1 ZINC000095530663 570470108 /nfs/dbraw/zinc/47/01/08/570470108.db2.gz QCOSOLQOHHLIEP-SFHVURJKSA-N -1 0 364.376 3.588 50 0 FHAARM CCSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002517139 570523684 /nfs/dbraw/zinc/52/36/84/570523684.db2.gz OUXUHWHQQLGDQE-SFHVURJKSA-N -1 0 371.458 3.731 50 0 FHAARM O=C([O-])CCCCCCC(=O)c1cccc(I)c1 ZINC000002579887 570525537 /nfs/dbraw/zinc/52/55/37/570525537.db2.gz PVCJEZOAKHNTTI-UHFFFAOYSA-N -1 0 360.191 3.899 50 0 FHAARM CC[C@H]1CCc2c(sc3[nH]c(-c4ccc(C(=O)[O-])cc4)nc(=O)c23)C1 ZINC000002637185 570526597 /nfs/dbraw/zinc/52/65/97/570526597.db2.gz XHGCRGNOUURQTN-JTQLQIEISA-N -1 0 354.431 3.865 50 0 FHAARM O=C([O-])c1cccc(COc2ccc(I)cc2)c1 ZINC000002836260 570535179 /nfs/dbraw/zinc/53/51/79/570535179.db2.gz NJIXMABUNWZLTF-UHFFFAOYSA-N -1 0 354.143 3.568 50 0 FHAARM COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000237253826 570547077 /nfs/dbraw/zinc/54/70/77/570547077.db2.gz FGBOSDUQANIHGG-NVXWUHKLSA-N -1 0 359.466 3.609 50 0 FHAARM O=C([O-])CCCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000004860328 570551809 /nfs/dbraw/zinc/55/18/09/570551809.db2.gz UMJMQWSMMAQWAN-HNNXBMFYSA-N -1 0 360.797 3.866 50 0 FHAARM O=S(=O)([O-])c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1 ZINC000003128191 570552332 /nfs/dbraw/zinc/55/23/32/570552332.db2.gz VPGBPEJMPSLGOO-UHFFFAOYSA-N -1 0 357.762 3.653 50 0 FHAARM CSCC(CSC)OC(=O)[N-]C(=O)c1c(Cl)cccc1Cl ZINC000003171072 570553507 /nfs/dbraw/zinc/55/35/07/570553507.db2.gz QAKOWBKTHKUQFR-UHFFFAOYSA-N -1 0 368.307 3.954 50 0 FHAARM CC(=O)N(c1nc(/C=C/C(=O)[O-])cs1)c1cccc(C(F)(F)F)c1 ZINC000003394979 570563217 /nfs/dbraw/zinc/56/32/17/570563217.db2.gz XMCXTGRBAIZQCC-AATRIKPKSA-N -1 0 356.325 3.944 50 0 FHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000408513860 570564056 /nfs/dbraw/zinc/56/40/56/570564056.db2.gz FONXIIVMVQKTGJ-VBNZEHGJSA-N -1 0 369.383 3.912 50 0 FHAARM CC(C)(C)Oc1ccc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)[O-])cc1 ZINC000004301175 570584035 /nfs/dbraw/zinc/58/40/35/570584035.db2.gz YKVBQSGNGCKQSV-GOSISDBHSA-N -1 0 371.433 3.786 50 0 FHAARM Cc1cc(=O)oc2cc(NC(=O)C[C@@H](CC(=O)[O-])c3ccccc3)ccc12 ZINC000004333225 570585345 /nfs/dbraw/zinc/58/53/45/570585345.db2.gz FPVYFDIDSRHGIU-HNNXBMFYSA-N -1 0 365.385 3.689 50 0 FHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000238067214 570588165 /nfs/dbraw/zinc/58/81/65/570588165.db2.gz ILZKVTYNWPHQKS-MOPGFXCFSA-N -1 0 367.420 3.574 50 0 FHAARM O=C([O-])[C@H]1CCN(C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)C1 ZINC000238138499 570591298 /nfs/dbraw/zinc/59/12/98/570591298.db2.gz NVLCBAPLYXLJFX-ZDUSSCGKSA-N -1 0 368.414 3.617 50 0 FHAARM O=C([O-])c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000004614476 570597751 /nfs/dbraw/zinc/59/77/51/570597751.db2.gz DTLRCAQTONHFBD-IYSWYEEDSA-N -1 0 351.737 3.957 50 0 FHAARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(C(=O)OC(C)C)c1C ZINC000004611870 570597783 /nfs/dbraw/zinc/59/77/83/570597783.db2.gz AGSXEMJMVQQVRA-CHWSQXEVSA-N -1 0 365.451 3.536 50 0 FHAARM COCCCN1C(=O)S/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C1=O ZINC000004648663 570597972 /nfs/dbraw/zinc/59/79/72/570597972.db2.gz KKTJRHBFCPZZHR-YRNVUSSQSA-N -1 0 362.234 3.772 50 0 FHAARM O=C([O-])c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000005008692 570617963 /nfs/dbraw/zinc/61/79/63/570617963.db2.gz XBZCFMWJHRNLMX-UHFFFAOYSA-N -1 0 367.426 3.780 50 0 FHAARM Cc1c(C(=O)OC(C)C)sc2[n-]c(C(Cl)(Cl)Cl)nc(=O)c12 ZINC000003249297 570622918 /nfs/dbraw/zinc/62/29/18/570622918.db2.gz NFHHVHVYALJZPQ-UHFFFAOYSA-N -1 0 369.657 3.685 50 0 FHAARM Cc1ccc(-c2nc3cc(NC(=O)c4nc[nH]n4)ccc3o2)c(Cl)c1 ZINC000005442738 570627353 /nfs/dbraw/zinc/62/73/53/570627353.db2.gz OSBYPVZQMQEBOE-UHFFFAOYSA-N -1 0 353.769 3.827 50 0 FHAARM COc1ccc(-c2cccc(NS(=O)(=O)c3ccc(C)c(C)c3)c2)nn1 ZINC000005204166 570633245 /nfs/dbraw/zinc/63/32/45/570633245.db2.gz ADMGXCOHYMMBBP-UHFFFAOYSA-N -1 0 369.446 3.570 50 0 FHAARM COc1ccc(-c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)nn1 ZINC000005204215 570633250 /nfs/dbraw/zinc/63/32/50/570633250.db2.gz CCQWCUUZIOGUCV-UHFFFAOYSA-N -1 0 369.446 3.570 50 0 FHAARM Cc1cccc(C(C)C)c1NC(=O)CC1=S([O-])c2ccccc2NC1=O ZINC000005711397 570633896 /nfs/dbraw/zinc/63/38/96/570633896.db2.gz KQRBYTXXCUEBKM-WGDIFIGCSA-N -1 0 370.474 3.576 50 0 FHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1OC ZINC000005260075 570640962 /nfs/dbraw/zinc/64/09/62/570640962.db2.gz RYWOTCCYFPVJJV-UHFFFAOYSA-N -1 0 361.341 3.523 50 0 FHAARM COC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CCC(=O)[O-] ZINC000006189806 570643141 /nfs/dbraw/zinc/64/31/41/570643141.db2.gz VEQRWHSPCGQDNU-UHFFFAOYSA-N -1 0 361.419 3.622 50 0 FHAARM CCCCc1cc(=O)oc2c3c(cc(OCC(=O)[O-])c12)OC(C)(C)CC3 ZINC000006624216 570650596 /nfs/dbraw/zinc/65/05/96/570650596.db2.gz KEVJZCYQFPYPBA-UHFFFAOYSA-N -1 0 360.406 3.703 50 0 biogenic FHAARM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2C)c(OC)cc1Cl ZINC000007387458 570663278 /nfs/dbraw/zinc/66/32/78/570663278.db2.gz DYPDAOHGVYZRHQ-UHFFFAOYSA-N -1 0 355.843 3.775 50 0 FHAARM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1C(C)C ZINC000007428384 570664251 /nfs/dbraw/zinc/66/42/51/570664251.db2.gz FOWOACWRZDXKIS-UHFFFAOYSA-N -1 0 354.859 3.976 50 0 FHAARM CCCc1cc(C(=O)OCC)c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])s1 ZINC000002767482 570672577 /nfs/dbraw/zinc/67/25/77/570672577.db2.gz FKWCOLVJWHZVLL-OLZOCXBDSA-N -1 0 367.467 3.707 50 0 FHAARM Cc1cc(C)n(-c2nc3sc4c(c3c(SCC(=O)[O-])n2)CCCC4)n1 ZINC000005556957 570671757 /nfs/dbraw/zinc/67/17/57/570671757.db2.gz LWZDWWHTSPBFFN-UHFFFAOYSA-N -1 0 374.491 3.549 50 0 FHAARM CCOC(=O)c1cc(C(C)C)sc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000002765935 570672196 /nfs/dbraw/zinc/67/21/96/570672196.db2.gz UEKYJAMFVJOBET-VXGBXAGGSA-N -1 0 367.467 3.878 50 0 FHAARM O=S(=O)([N-]c1cnn(Cc2cccc(F)c2)c1)c1ccc(Cl)cc1 ZINC000002804645 570674057 /nfs/dbraw/zinc/67/40/57/570674057.db2.gz BCADWHMIVDAFHF-UHFFFAOYSA-N -1 0 365.817 3.525 50 0 FHAARM CCCOc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1ncccc1C ZINC000008714755 570685287 /nfs/dbraw/zinc/68/52/87/570685287.db2.gz DLXYUGPIGSPUFI-UHFFFAOYSA-N -1 0 354.859 3.941 50 0 FHAARM Cc1cc(S(=O)(=O)[N-]c2ncccc2C)c(C)cc1Br ZINC000008714966 570685739 /nfs/dbraw/zinc/68/57/39/570685739.db2.gz QNUQWWYCLCFENE-UHFFFAOYSA-N -1 0 355.257 3.570 50 0 FHAARM CCCC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000010287775 570699365 /nfs/dbraw/zinc/69/93/65/570699365.db2.gz ONOZRHXVKGSYJW-QWHCGFSZSA-N -1 0 366.845 3.908 50 0 FHAARM CN(C(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1)c1ccccc1 ZINC000012138565 570721796 /nfs/dbraw/zinc/72/17/96/570721796.db2.gz RIVVKHKZGTYXKI-UHFFFAOYSA-N -1 0 374.396 3.914 50 0 FHAARM CC1(C)Cc2c3c(nc(-c4ccco4)c2CO1)sc1c3[n-]cnc1=O ZINC000012437012 570745158 /nfs/dbraw/zinc/74/51/58/570745158.db2.gz LWXTZTBZRNUYJS-UHFFFAOYSA-N -1 0 353.403 3.644 50 0 FHAARM O=C([O-])c1cc(Br)ccc1NC(=O)Cc1ccc(Cl)cc1 ZINC000004591873 570774098 /nfs/dbraw/zinc/77/40/98/570774098.db2.gz ZUYPQVDYUQPHPT-UHFFFAOYSA-N -1 0 368.614 3.982 50 0 FHAARM O=C([O-])[C@@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)c2ccccc21 ZINC000177484390 570776687 /nfs/dbraw/zinc/77/66/87/570776687.db2.gz ILMNWWZZYZAOSK-CYBMUJFWSA-N -1 0 370.455 3.629 50 0 FHAARM CCn1c(=O)c(-c2nc(-c3ccccc3F)no2)c([O-])c2ccc(F)cc21 ZINC000101724761 570822201 /nfs/dbraw/zinc/82/22/01/570822201.db2.gz XUQDPNSNOCUXSG-UHFFFAOYSA-N -1 0 369.327 3.722 50 0 FHAARM CCn1c(=O)c(-c2nc(-c3ccccc3)no2)c([O-])c2cc(F)ccc21 ZINC000101725100 570822303 /nfs/dbraw/zinc/82/23/03/570822303.db2.gz UEEHHVUZVKNYGI-UHFFFAOYSA-N -1 0 351.337 3.583 50 0 FHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(Cl)c4C)c=3c2=O)cc1F ZINC000102819254 570839984 /nfs/dbraw/zinc/83/99/84/570839984.db2.gz JVWNZQNBLCDOSO-CVEARBPZSA-N -1 0 372.787 3.594 50 0 FHAARM Cc1ccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c(F)c1 ZINC000032926338 570865351 /nfs/dbraw/zinc/86/53/51/570865351.db2.gz KNBMTPJJABCPMR-UHFFFAOYSA-N -1 0 364.373 3.870 50 0 FHAARM Cc1ccccc1CSCC1N=NC(=S)N1c1ccc(C(=O)[O-])cc1 ZINC000020418658 570915571 /nfs/dbraw/zinc/91/55/71/570915571.db2.gz ZNBWTOQDHWWXIW-UHFFFAOYSA-N -1 0 371.487 3.996 50 0 FHAARM CCOc1nc2c(c(C)nn2-c2cccc(C)c2)c(C)c1CCC(=O)[O-] ZINC000045966533 570917416 /nfs/dbraw/zinc/91/74/16/570917416.db2.gz KKMFPZNAOXAUGS-UHFFFAOYSA-N -1 0 353.422 3.762 50 0 FHAARM O=C([O-])c1ccc(CCNC(=O)[C@H](OC2CCCC2)c2ccccc2)cc1 ZINC000225456554 571036822 /nfs/dbraw/zinc/03/68/22/571036822.db2.gz XCZHAJWWNOYABV-HXUWFJFHSA-N -1 0 367.445 3.744 50 0 FHAARM O=C([O-])C1(NC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)CC1 ZINC000225487257 571039039 /nfs/dbraw/zinc/03/90/39/571039039.db2.gz MKLCVESMEFYOQI-UHFFFAOYSA-N -1 0 353.403 3.702 50 0 FHAARM CCCCN1Cc2cc(C(=O)c3cc(Cl)ccc3[O-])cnc2NC1=O ZINC000008394169 571045067 /nfs/dbraw/zinc/04/50/67/571045067.db2.gz NXAJROYLHIOORP-UHFFFAOYSA-N -1 0 359.813 3.819 50 0 FHAARM Cc1c2c(cc(=O)n1C1CCCC1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000030822903 571050123 /nfs/dbraw/zinc/05/01/23/571050123.db2.gz ITDOMZFQYMZDSW-UHFFFAOYSA-N -1 0 366.446 3.514 50 0 FHAARM CCn1c(SCc2nc(=O)c3sccc3[n-]2)nnc1-c1ccccc1 ZINC000008569527 571050475 /nfs/dbraw/zinc/05/04/75/571050475.db2.gz BMRLVHGKMGFDNI-UHFFFAOYSA-N -1 0 369.475 3.555 50 0 FHAARM CCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000032601614 571058712 /nfs/dbraw/zinc/05/87/12/571058712.db2.gz LNRVLNGTENHCRD-UHFFFAOYSA-N -1 0 363.435 3.708 50 0 FHAARM Cc1nn(Cc2cccc(C)c2)c(C)c1[N-]S(=O)(=O)c1ccccc1F ZINC000039971267 571066652 /nfs/dbraw/zinc/06/66/52/571066652.db2.gz IJBKBWGPANZOFH-UHFFFAOYSA-N -1 0 373.453 3.797 50 0 FHAARM Cc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(C(=O)c2ccccc2)c1 ZINC000001050141 571069266 /nfs/dbraw/zinc/06/92/66/571069266.db2.gz PMOZITUTVPUJGO-IRXDYDNUSA-N -1 0 363.413 3.832 50 0 FHAARM O=C([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1N1CCCCCC1 ZINC000032962098 571073665 /nfs/dbraw/zinc/07/36/65/571073665.db2.gz WNOPHBQTTKASJC-UHFFFAOYSA-N -1 0 374.462 3.566 50 0 FHAARM Cc1oc(-c2ccno2)cc1S(=O)(=O)[N-]c1cccc2c1CCCC2 ZINC000032971383 571078600 /nfs/dbraw/zinc/07/86/00/571078600.db2.gz SZZDBVMOAHFGOT-UHFFFAOYSA-N -1 0 358.419 3.923 50 0 FHAARM Cc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)n1 ZINC000040143991 571084853 /nfs/dbraw/zinc/08/48/53/571084853.db2.gz RDZMHUBFLUWKIV-UHFFFAOYSA-N -1 0 373.459 3.505 50 0 FHAARM C[C@@H](Cc1nnc([N-]S(=O)(=O)Cc2ccccc2)s1)c1ccccc1 ZINC000009095395 571095644 /nfs/dbraw/zinc/09/56/44/571095644.db2.gz PXHJXLJFMGVLAC-AWEZNQCLSA-N -1 0 373.503 3.826 50 0 FHAARM O=C(c1cnc(-c2ccccc2)nc1)c1cc(Br)ccc1[O-] ZINC000012810084 571111336 /nfs/dbraw/zinc/11/13/36/571111336.db2.gz PDJODBMBAMYOAR-UHFFFAOYSA-N -1 0 355.191 3.843 50 0 FHAARM O=C(Nn1c(=S)[n-]nc1-c1ccco1)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000009544621 571113051 /nfs/dbraw/zinc/11/30/51/571113051.db2.gz BHFINRFVCYUIFX-WDEREUQCSA-N -1 0 360.826 3.728 50 0 FHAARM COc1ccc(Oc2ncccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000041615902 571113469 /nfs/dbraw/zinc/11/34/69/571113469.db2.gz FCGQRCFWEKKWBX-UHFFFAOYSA-N -1 0 356.403 3.683 50 0 FHAARM COc1ccc(Oc2ncccc2[N-]S(=O)(=O)c2cccs2)cc1 ZINC000041615909 571113591 /nfs/dbraw/zinc/11/35/91/571113591.db2.gz XODBMMMBZFLXBA-UHFFFAOYSA-N -1 0 362.432 3.745 50 0 FHAARM Cc1cc([C@@H](C(=O)[O-])N(Cc2cccnc2)Cc2cccnc2)ccc1F ZINC000055271767 571118834 /nfs/dbraw/zinc/11/88/34/571118834.db2.gz ULNSCBJLFOUDAX-FQEVSTJZSA-N -1 0 365.408 3.752 50 0 FHAARM Cc1cc2c(cc1C)C(=O)C[C@@H](c1cc(C(=O)[O-])cc3c1OCOC3)O2 ZINC000001504468 571123933 /nfs/dbraw/zinc/12/39/33/571123933.db2.gz HJDXVADNJHAYEA-SFHVURJKSA-N -1 0 354.358 3.575 50 0 biogenic FHAARM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)cc1 ZINC000010512357 571127840 /nfs/dbraw/zinc/12/78/40/571127840.db2.gz WEJZRMSNHVYXHJ-UHFFFAOYSA-N -1 0 372.471 3.576 50 0 FHAARM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1ccc(-c2cc[nH]n2)s1 ZINC000075351858 571162037 /nfs/dbraw/zinc/16/20/37/571162037.db2.gz JZXMQLSICGSZJD-UHFFFAOYSA-N -1 0 357.819 3.732 50 0 FHAARM COc1ccc(-c2ccc(CNC(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)s2)cc1 ZINC000263344607 571165271 /nfs/dbraw/zinc/16/52/71/571165271.db2.gz SYEAAUXTOCRMAX-KGLIPLIRSA-N -1 0 359.447 3.541 50 0 FHAARM O=C([N-]OCc1ccccc1)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000041979087 571174553 /nfs/dbraw/zinc/17/45/53/571174553.db2.gz XGTFDYBUOHHKAV-UHFFFAOYSA-N -1 0 353.418 3.518 50 0 FHAARM O=C([O-])Cc1ccc(CN2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)cc1 ZINC000072168497 571177135 /nfs/dbraw/zinc/17/71/35/571177135.db2.gz KDVTXFVELCEZBG-GOSISDBHSA-N -1 0 353.397 3.666 50 0 FHAARM O=C([O-])COc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1c1ccccc1 ZINC000012542121 571177610 /nfs/dbraw/zinc/17/76/10/571177610.db2.gz XLUONPJNQGATDJ-OAQYLSRUSA-N -1 0 374.396 3.921 50 0 FHAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1cc(C)ccc1C)O[C@H](C)C2 ZINC000012560604 571182738 /nfs/dbraw/zinc/18/27/38/571182738.db2.gz SHJPSSRRRMEEBB-CQSZACIVSA-N -1 0 361.463 3.826 50 0 FHAARM C[C@]12CC[C@@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)CCC(=O)[O-] ZINC000003977885 571190934 /nfs/dbraw/zinc/19/09/34/571190934.db2.gz PBKZPPIHUVSDNM-DHNHVGITSA-N -1 0 358.478 3.890 50 0 FHAARM Cc1nc(-c2cccc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)c2)cs1 ZINC000237809976 571193893 /nfs/dbraw/zinc/19/38/93/571193893.db2.gz FGKYYNLEGXQBEJ-AWEZNQCLSA-N -1 0 358.463 3.836 50 0 FHAARM CC(C)N(C(=O)c1ccccc1-c1ccc([C@H](O)C(=O)[O-])cc1)C(C)C ZINC000534586381 571205350 /nfs/dbraw/zinc/20/53/50/571205350.db2.gz ARJUUJNCSNHNEA-IBGZPJMESA-N -1 0 355.434 3.731 50 0 FHAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccs2)c(C(F)(F)F)c1 ZINC000011265296 571217830 /nfs/dbraw/zinc/21/78/30/571217830.db2.gz VAQGXTBPBSEWBT-UHFFFAOYSA-N -1 0 364.370 3.526 50 0 FHAARM Cc1nc(-c2cccc(CN=c3nc(C4CCOCC4)[n-]s3)c2)cs1 ZINC000585139164 571227693 /nfs/dbraw/zinc/22/76/93/571227693.db2.gz AHMNKWVPHXNSKF-UHFFFAOYSA-N -1 0 372.519 3.898 50 0 FHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2cc(C)no2)cs1 ZINC000033290255 571230648 /nfs/dbraw/zinc/23/06/48/571230648.db2.gz BKOMNMOQZXNKEM-UHFFFAOYSA-N -1 0 350.421 3.521 50 0 FHAARM COC(=O)c1c(NC(=O)/C=C\C(=O)[O-])sc(C)c1-c1cc(C)ccc1C ZINC000033333069 571235692 /nfs/dbraw/zinc/23/56/92/571235692.db2.gz ZKYIULIRTLREAV-FPLPWBNLSA-N -1 0 373.430 3.706 50 0 FHAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000006623480 571237360 /nfs/dbraw/zinc/23/73/60/571237360.db2.gz YPWJCAFOBZGPLR-UHFFFAOYSA-N -1 0 353.465 3.633 50 0 FHAARM CC(C)=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc3ccccc3n2C)C1 ZINC000091605157 571241305 /nfs/dbraw/zinc/24/13/05/571241305.db2.gz XNUPHBKKAIYFBI-NRFANRHFSA-N -1 0 354.450 3.842 50 0 FHAARM Cc1c2c(cc(=O)n1Cc1cccs1)[n-]n(-c1ccc(Cl)cc1)c2=O ZINC000036576024 571257388 /nfs/dbraw/zinc/25/73/88/571257388.db2.gz TUHBMDKSHAMHEW-UHFFFAOYSA-N -1 0 371.849 3.916 50 0 FHAARM CCOC(=O)c1c(C)[nH]cc1[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000007036592 571257955 /nfs/dbraw/zinc/25/79/55/571257955.db2.gz RGLBDLRXWZXPLP-CYBMUJFWSA-N -1 0 363.797 3.594 50 0 FHAARM Cc1ccc([C@@H]2CCCCCN2C(=O)c2n[n-]c3ccccc3c2=O)o1 ZINC000151299590 571258261 /nfs/dbraw/zinc/25/82/61/571258261.db2.gz VMNLAPUZKATFSR-INIZCTEOSA-N -1 0 351.406 3.582 50 0 FHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2SC(F)F)cc1 ZINC000007055872 571259536 /nfs/dbraw/zinc/25/95/36/571259536.db2.gz IOSHYSGZLZHPEY-UHFFFAOYSA-N -1 0 372.418 3.761 50 0 FHAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CC2)c1C ZINC000007054326 571259564 /nfs/dbraw/zinc/25/95/64/571259564.db2.gz NYPLFVLQKPCUFH-UHFFFAOYSA-N -1 0 372.490 3.613 50 0 FHAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000007057203 571259704 /nfs/dbraw/zinc/25/97/04/571259704.db2.gz SDCRGOPIESVPPT-UHFFFAOYSA-N -1 0 353.399 3.853 50 0 FHAARM Cc1ccc(-c2nc(CN[C@@H](Cc3ccccc3)C(=O)[O-])cs2)cc1 ZINC000170090791 571262189 /nfs/dbraw/zinc/26/21/89/571262189.db2.gz OAZQCECVROVEIX-SFHVURJKSA-N -1 0 352.459 3.904 50 0 FHAARM O=C([O-])c1cc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c(F)cc1F ZINC000065512800 571264369 /nfs/dbraw/zinc/26/43/69/571264369.db2.gz IHYMEMAGANNIDD-AATRIKPKSA-N -1 0 373.764 3.729 50 0 FHAARM O=C(Nc1ccccc1[N-]S(=O)(=O)c1cccs1)c1cccs1 ZINC000037111696 571265274 /nfs/dbraw/zinc/26/52/74/571265274.db2.gz GBCRXDQXUXKHEH-UHFFFAOYSA-N -1 0 364.473 3.863 50 0 FHAARM Cc1c(C[S@](C)=O)cccc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000170647674 571282081 /nfs/dbraw/zinc/28/20/81/571282081.db2.gz UJNRFNWRWMRMMS-DEOSSOPVSA-N -1 0 360.460 3.556 50 0 FHAARM CCOC([O-])=NC(=O)c1ccsc1NC(=O)c1cc2ccccc2o1 ZINC000007613794 571284105 /nfs/dbraw/zinc/28/41/05/571284105.db2.gz RHRAQFTZDZZMTO-UHFFFAOYSA-N -1 0 358.375 3.633 50 0 FHAARM O=C([O-])[C@H]1CCCCC[C@H]1NC(=O)c1ccc(F)c(COCC2CC2)c1 ZINC000170672070 571284947 /nfs/dbraw/zinc/28/49/47/571284947.db2.gz PMYIJNDYAAONHY-FUHWJXTLSA-N -1 0 363.429 3.516 50 0 FHAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000007708996 571286162 /nfs/dbraw/zinc/28/61/62/571286162.db2.gz CAOXYKLSMKMWCM-UHFFFAOYSA-N -1 0 353.465 3.569 50 0 FHAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1C(F)(F)F ZINC000002402811 571321439 /nfs/dbraw/zinc/32/14/39/571321439.db2.gz UWSXNHNTTUZANQ-AWEZNQCLSA-N -1 0 352.312 3.523 50 0 FHAARM CC1(C)Cc2nc(NC(=O)c3ccc([O-])c(Cl)c3)sc2C(=O)C1 ZINC000079988513 571328520 /nfs/dbraw/zinc/32/85/20/571328520.db2.gz XDHRKKFCLGVUIC-UHFFFAOYSA-N -1 0 350.827 3.910 50 0 FHAARM CC[C@H](C)[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000080359279 571329217 /nfs/dbraw/zinc/32/92/17/571329217.db2.gz SBKQMWFYTHNZEP-ZUZCIYMTSA-N -1 0 366.870 3.622 50 0 FHAARM CCOc1cc2[n-]c(=S)n(Cc3ccccc3)c(=O)c2cc1OCC ZINC000002976531 571343206 /nfs/dbraw/zinc/34/32/06/571343206.db2.gz FOJZNBRCFGVBJP-UHFFFAOYSA-N -1 0 356.447 3.905 50 0 FHAARM O=C([O-])[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)N1CCCCC1 ZINC000003175645 571345188 /nfs/dbraw/zinc/34/51/88/571345188.db2.gz DDPRLBDMKCWXIA-NSKBAKJYSA-N -1 0 361.441 3.607 50 0 FHAARM CCOc1ccc2nc(NC(=O)[C@H]3CC(C)=CC[C@@H]3C(=O)[O-])sc2c1 ZINC000004263127 571357315 /nfs/dbraw/zinc/35/73/15/571357315.db2.gz XZUYZIXPQIPGSG-STQMWFEESA-N -1 0 360.435 3.691 50 0 FHAARM Nc1c(-c2ccc(Br)cc2)cnn1-c1ccc(C(=O)[O-])cc1 ZINC000004290734 571357684 /nfs/dbraw/zinc/35/76/84/571357684.db2.gz GKNZQLDEDRKBKQ-UHFFFAOYSA-N -1 0 358.195 3.582 50 0 FHAARM O=C([O-])CCC(=O)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 ZINC000038303389 571360102 /nfs/dbraw/zinc/36/01/02/571360102.db2.gz JLULDRWPVOVHHE-AROGIYSDSA-N -1 0 368.389 3.860 50 0 FHAARM CC(C)Oc1ccc(-c2nc(C(=O)N3CCCC[C@@H]3C(=O)[O-])cs2)cc1 ZINC000136493725 601629250 /nfs/dbraw/zinc/62/92/50/601629250.db2.gz HTIKYBYNGJRKLD-MRXNPFEDSA-N -1 0 374.462 3.677 50 0 FHAARM CC(C)(C)c1nc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)no1 ZINC000194688870 938717359 /nfs/dbraw/zinc/71/73/59/938717359.db2.gz KNLXQXVFEWMWQH-UHFFFAOYSA-N -1 0 364.254 3.616 50 0 FHAARM CC(C)c1ccc(OC2CCN(C(=O)c3ccc(C(=O)[O-])cn3)CC2)cc1 ZINC000612575662 940158029 /nfs/dbraw/zinc/15/80/29/940158029.db2.gz ONQLQLQHTXECRR-UHFFFAOYSA-N -1 0 368.433 3.587 50 0 FHAARM COc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(OC)cc1Cl ZINC000000752366 210266871 /nfs/dbraw/zinc/26/68/71/210266871.db2.gz UCYUFBFDNRIWAZ-UHFFFAOYSA-N -1 0 362.234 3.811 50 0 FHAARM COc1ccc(NC(=O)[C@@H](Cc2cc(C)cc(C)c2)[C@H](C)C(=O)[O-])cc1 ZINC000000727571 210266260 /nfs/dbraw/zinc/26/62/60/210266260.db2.gz LCTABTLCJSWZRG-KXBFYZLASA-N -1 0 355.434 3.830 50 0 FHAARM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000000667758 210260001 /nfs/dbraw/zinc/26/00/01/210260001.db2.gz PFFBKYVNULZBHY-UHFFFAOYSA-N -1 0 353.827 3.544 50 0 FHAARM O=C([O-])c1ccccc1NC(=S)NC(=O)c1cccc2ccccc21 ZINC000000310689 210250188 /nfs/dbraw/zinc/25/01/88/210250188.db2.gz DWMQTUDIZCFHTQ-UHFFFAOYSA-N -1 0 350.399 3.665 50 0 FHAARM COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000000601283 210249843 /nfs/dbraw/zinc/24/98/43/210249843.db2.gz CGIGDMFJXJATDK-UHFFFAOYSA-N -1 0 357.793 3.927 50 0 fda FHAARM Cc1ccc(/C=C\S(=O)(=O)[N-]c2c3ccccc3sc2C(N)=O)cc1 ZINC000096054824 210238433 /nfs/dbraw/zinc/23/84/33/210238433.db2.gz LRDCVCTXHVXLDG-KHPPLWFESA-N -1 0 372.471 3.721 50 0 FHAARM COc1ccccc1COc1ccc2c(C)c(CC(=O)[O-])c(=O)oc2c1C ZINC000004043505 210229542 /nfs/dbraw/zinc/22/95/42/210229542.db2.gz GCUDBZFFZQHNEZ-UHFFFAOYSA-N -1 0 368.385 3.625 50 0 biogenic FHAARM O=C([O-])c1cc(Br)c(Br)cc1Br ZINC000096171735 210095317 /nfs/dbraw/zinc/09/53/17/210095317.db2.gz FLQLTDFABYDBBV-UHFFFAOYSA-N -1 0 358.811 3.672 50 0 FHAARM O=C([O-])C[C@H]1CCCCN1C(=O)c1cccc(N2Cc3ccccc3C2)c1 ZINC000299790273 210031423 /nfs/dbraw/zinc/03/14/23/210031423.db2.gz AZLAQIYFOJYQAH-HXUWFJFHSA-N -1 0 364.445 3.676 50 0 FHAARM Cc1ccc(-n2c(COc3ccccc3)nnc2S[C@H](C)C(=O)[O-])cc1 ZINC000000916876 219340355 /nfs/dbraw/zinc/34/03/55/219340355.db2.gz BMEMZYSOCPZPAR-CQSZACIVSA-N -1 0 369.446 3.720 50 0 FHAARM Cc1nc(CSc2ccccc2C(=O)N(C)C[C@H](C)C(=O)[O-])cs1 ZINC000225460682 222842982 /nfs/dbraw/zinc/84/29/82/222842982.db2.gz RWVZEVGHYHGIEY-NSHDSACASA-N -1 0 364.492 3.537 50 0 FHAARM Cc1cc(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)c(C)n1C(C)C ZINC000236785397 222904466 /nfs/dbraw/zinc/90/44/66/222904466.db2.gz XPUHXDPCCFLXFZ-UHFFFAOYSA-N -1 0 368.477 3.944 50 0 FHAARM O=C([O-])c1ccc(CCC(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000238060137 222913689 /nfs/dbraw/zinc/91/36/89/222913689.db2.gz JBLHOJOZLNFZTD-UHFFFAOYSA-N -1 0 371.408 3.527 50 0 FHAARM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000003330262 219501118 /nfs/dbraw/zinc/50/11/18/219501118.db2.gz UTHWGTKMSXZANG-UHFFFAOYSA-N -1 0 361.463 3.996 50 0 FHAARM CCCC[C@H](Sc1ccc2nnc(-c3ccc(F)cc3)n2n1)C(=O)[O-] ZINC000004164486 219550447 /nfs/dbraw/zinc/55/04/47/219550447.db2.gz NGKDWZGDYCFYIW-ZDUSSCGKSA-N -1 0 360.414 3.666 50 0 FHAARM CCOc1ccccc1[N-]S(=O)(=O)c1cn(CC(C)C)c2ncccc12 ZINC000064759964 212044072 /nfs/dbraw/zinc/04/40/72/212044072.db2.gz NCCGUUULJOJBDV-UHFFFAOYSA-N -1 0 373.478 3.892 50 0 FHAARM Cc1nn(C)cc1[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1 ZINC000061719022 212025579 /nfs/dbraw/zinc/02/55/79/212025579.db2.gz OABDPKPOWWSUQV-LBPRGKRZSA-N -1 0 367.430 3.629 50 0 FHAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1 ZINC000012773858 220028357 /nfs/dbraw/zinc/02/83/57/220028357.db2.gz BZPYLQXQEDORKU-UHFFFAOYSA-N -1 0 353.399 3.853 50 0 FHAARM Cc1nc(S(=O)(=O)[N-]c2ccccc2Nc2ccc(C)cc2)cn1C ZINC000058358195 212005909 /nfs/dbraw/zinc/00/59/09/212005909.db2.gz MWUXGOAMSLVOSM-UHFFFAOYSA-N -1 0 356.451 3.581 50 0 FHAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)C1 ZINC000299743888 211824536 /nfs/dbraw/zinc/82/45/36/211824536.db2.gz PVZMLKZMFHETMK-OAHLLOKOSA-N -1 0 362.385 3.555 50 0 FHAARM CCCCSCCc1nnc(SCC(=O)[O-])n1-c1ccccc1 ZINC000015838440 220168014 /nfs/dbraw/zinc/16/80/14/220168014.db2.gz WMUCBPGSADSDON-UHFFFAOYSA-N -1 0 351.497 3.520 50 0 FHAARM Cc1cc(OCc2ccc([C@H]3N[C@H](C(=O)[O-])CS3)o2)ccc1Cl ZINC000036624038 211671304 /nfs/dbraw/zinc/67/13/04/211671304.db2.gz XJESZXOUKUJGHR-ZFWWWQNUSA-N -1 0 353.827 3.609 50 0 FHAARM O=C([O-])c1cn(-c2cccc(F)c2)c2c1NC(=O)C[C@@H]2c1ccc(F)cc1 ZINC000035325385 211632513 /nfs/dbraw/zinc/63/25/13/211632513.db2.gz YPLQDHRUEOOVLY-OAHLLOKOSA-N -1 0 368.339 3.928 50 0 FHAARM Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1C ZINC000023125653 211377932 /nfs/dbraw/zinc/37/79/32/211377932.db2.gz OFGUCQMPCWBOCQ-IAGOWNOFSA-N -1 0 368.824 3.763 50 0 FHAARM COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000021033102 211304378 /nfs/dbraw/zinc/30/43/78/211304378.db2.gz DVKVPFHBPPWNIR-UHFFFAOYSA-N -1 0 362.382 3.599 50 0 FHAARM COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000021033336 211303980 /nfs/dbraw/zinc/30/39/80/211303980.db2.gz KICYEKUGSORMSB-UHFFFAOYSA-N -1 0 358.419 3.768 50 0 FHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2cnc(C)o2)ccc1C ZINC000021032966 211303327 /nfs/dbraw/zinc/30/33/27/211303327.db2.gz SFSBMLMBTVAFJM-UHFFFAOYSA-N -1 0 358.419 3.768 50 0 FHAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3F)s2)on1 ZINC000020978326 211301438 /nfs/dbraw/zinc/30/14/38/211301438.db2.gz QBUHQFNSXOCKOZ-UHFFFAOYSA-N -1 0 356.375 3.791 50 0 FHAARM CCOC(=O)CC[P@](=O)([O-])[C@H](NCc1ccccc1)c1ccccc1 ZINC000020029153 211263710 /nfs/dbraw/zinc/26/37/10/211263710.db2.gz PEJCPFZLPNIYPP-IBGZPJMESA-N -1 0 361.378 3.699 50 0 FHAARM COc1ccc(NC(=O)/N=c2/[n-]nc(COc3ccc(C)cc3)s2)cc1 ZINC000018044524 211190297 /nfs/dbraw/zinc/19/02/97/211190297.db2.gz UTBSANPZBWHQRE-UHFFFAOYSA-N -1 0 370.434 3.500 50 0 FHAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc3c(c1)CCC3)O[C@@H](C)C2 ZINC000017520640 211186144 /nfs/dbraw/zinc/18/61/44/211186144.db2.gz IHZUKFPFGZYMPT-ZDUSSCGKSA-N -1 0 373.474 3.698 50 0 FHAARM CCn1cc(Cn2c(=O)c3c4c(sc3[n-]c2=S)C[C@H](C)CC4)c(C)n1 ZINC000017076690 211179656 /nfs/dbraw/zinc/17/96/56/211179656.db2.gz KVNVHCYYTXSYBI-SNVBAGLBSA-N -1 0 374.535 3.819 50 0 FHAARM CCn1cc(Cn2c(=O)c3c4c(sc3[n-]c2=S)CCCCC4)c(C)n1 ZINC000017076686 211179211 /nfs/dbraw/zinc/17/92/11/211179211.db2.gz GZZIPNZWZDZTAS-UHFFFAOYSA-N -1 0 374.535 3.963 50 0 FHAARM O=C(c1ccccc1)c1c([O-])nc(-c2ccccc2)n(-c2ccccc2)c1=O ZINC000013108426 211024779 /nfs/dbraw/zinc/02/47/79/211024779.db2.gz MKAIEPXFPFHYKF-UHFFFAOYSA-N -1 0 368.392 3.836 50 0 FHAARM O=c1nc(CN2CCC[C@@H]2c2nc3ccccc3s2)[n-]c2ccsc21 ZINC000012936225 211010903 /nfs/dbraw/zinc/01/09/03/211010903.db2.gz NPDUFLHGGXBJGL-CYBMUJFWSA-N -1 0 368.487 3.931 50 0 FHAARM O=C(c1nn(-c2ccccc2C(F)(F)F)cc1[O-])N1CCc2ccccc21 ZINC000012877068 211002211 /nfs/dbraw/zinc/00/22/11/211002211.db2.gz FYCCWOFFCJQDLV-UHFFFAOYSA-N -1 0 373.334 3.800 50 0 FHAARM CC(=O)Nc1cc(C(=O)CSc2nc3ccccc3s2)ccc1[O-] ZINC000008526604 210789801 /nfs/dbraw/zinc/78/98/01/210789801.db2.gz HMSCXNJCJCZCEE-UHFFFAOYSA-N -1 0 358.444 3.935 50 0 FHAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc(Cl)ccc2Cl)cc1 ZINC000007602813 210745521 /nfs/dbraw/zinc/74/55/21/210745521.db2.gz ONQRGUANVKOFAP-UHFFFAOYSA-N -1 0 374.245 3.582 50 0 FHAARM O=C([O-])c1ccc2c(=O)n(-c3ccc(F)c(Cl)c3)c(=S)[nH]c2c1 ZINC000005827446 210642851 /nfs/dbraw/zinc/64/28/51/210642851.db2.gz ZFGUEYVCACVOCW-UHFFFAOYSA-N -1 0 350.758 3.539 50 0 FHAARM O=C([O-])c1ccc(CSc2nc3cc(Br)cnc3[nH]2)cc1 ZINC000005626252 210631639 /nfs/dbraw/zinc/63/16/39/210631639.db2.gz LAPIJMRFIZEVEC-UHFFFAOYSA-N -1 0 364.224 3.711 50 0 FHAARM COc1ccc(OC)c(NC(=O)c2cc(Cl)c(Cl)cc2C(=O)[O-])c1 ZINC000004804273 210565824 /nfs/dbraw/zinc/56/58/24/210565824.db2.gz RHCPROOVMQJSQV-UHFFFAOYSA-N -1 0 370.188 3.961 50 0 FHAARM O=C([O-])c1ccccc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl ZINC000004844510 210570423 /nfs/dbraw/zinc/57/04/23/210570423.db2.gz ROELYDIWLIRXGL-UHFFFAOYSA-N -1 0 369.229 3.818 50 0 FHAARM Cc1cccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2cccs2)c1 ZINC000002327946 210391854 /nfs/dbraw/zinc/39/18/54/210391854.db2.gz NHSZZQVJHPNXCD-UHFFFAOYSA-N -1 0 361.426 3.817 50 0 FHAARM Cc1cc(=O)[n-]c(N=NC=C2CSc3ccc(Cl)cc3C2Cl)n1 ZINC000001499650 210356036 /nfs/dbraw/zinc/35/60/36/210356036.db2.gz FYRNGSSTMIROAB-NGYBGAFCSA-N -1 0 367.261 3.885 50 0 FHAARM Cc1nn(-c2ccc(C)cc2)c2[n-]cc(C(=O)Nc3ccccc3C)c(=O)c12 ZINC000010166799 210343479 /nfs/dbraw/zinc/34/34/79/210343479.db2.gz AYGCIGBTEPUFEG-UHFFFAOYSA-N -1 0 372.428 3.891 50 0 FHAARM CCc1cc(C(=O)[O-])c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)s1 ZINC000001148847 210325501 /nfs/dbraw/zinc/32/55/01/210325501.db2.gz FHKFRWIVRJHCKW-SOFGYWHQSA-N -1 0 361.419 3.678 50 0 FHAARM O=C([O-])c1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000001138709 210323650 /nfs/dbraw/zinc/32/36/50/210323650.db2.gz YHSUPKGYOKVJGB-UHFFFAOYSA-N -1 0 367.426 3.780 50 0 FHAARM CC(C)(C)c1ccc2c(c1)O[C@]([N-]C(=O)C(F)(F)F)(C(F)(F)F)O2 ZINC000001050539 210309643 /nfs/dbraw/zinc/30/96/43/210309643.db2.gz HUYOBJNUMHLNBX-AWEZNQCLSA-N -1 0 357.250 3.650 50 0 FHAARM O=S(=O)([N-]c1cccnc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001048290 210307865 /nfs/dbraw/zinc/30/78/65/210307865.db2.gz UYWIWEJRVAKQMM-UHFFFAOYSA-N -1 0 370.274 3.920 50 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221187237 /nfs/dbraw/zinc/18/72/37/221187237.db2.gz SFMWAOGEZMVDRC-UHFFFAOYSA-N -1 0 359.407 3.788 50 0 FHAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)o2)cc1C ZINC000065246350 221187255 /nfs/dbraw/zinc/18/72/55/221187255.db2.gz LKXGHSXZEXEPPX-UHFFFAOYSA-N -1 0 359.407 3.625 50 0 FHAARM O=C([O-])c1nnn(-c2ccc(Oc3ccccc3)cc2)c1-c1ccncc1 ZINC000067323666 221252037 /nfs/dbraw/zinc/25/20/37/221252037.db2.gz QWYGMSJJSITZSV-UHFFFAOYSA-N -1 0 358.357 3.820 50 0 FHAARM Cc1cc(C)cc(C(=O)N2CCC[C@@](Cc3ccc(F)cc3)(C(=O)[O-])C2)c1 ZINC000071770972 221373382 /nfs/dbraw/zinc/37/33/82/221373382.db2.gz IFRVMBBFVMFXFO-QFIPXVFZSA-N -1 0 369.436 3.992 50 0 FHAARM COc1ccccc1C(=O)N1CCC[C@@](Cc2ccccc2C)(C(=O)[O-])C1 ZINC000071777162 221374987 /nfs/dbraw/zinc/37/49/87/221374987.db2.gz PQIIGEKAMQLGDL-QFIPXVFZSA-N -1 0 367.445 3.553 50 0 FHAARM COc1cccc(C(=O)N2CCC(CCc3ccccc3)(C(=O)[O-])CC2)c1 ZINC000071776252 221375120 /nfs/dbraw/zinc/37/51/20/221375120.db2.gz GXGXYPOGNKQUBZ-UHFFFAOYSA-N -1 0 367.445 3.635 50 0 FHAARM O=C([O-])c1cc2c(ncnc2N2CCC(Cc3ccccc3)CC2)s1 ZINC000001390737 132381755 /nfs/dbraw/zinc/38/17/55/132381755.db2.gz AHZKGBXPBZDFRK-UHFFFAOYSA-N -1 0 353.447 3.849 50 0 FHAARM CCOc1cccc(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)c1 ZINC000095375192 221877746 /nfs/dbraw/zinc/87/77/46/221877746.db2.gz TVVCTCOXBXSLPZ-SFHVURJKSA-N -1 0 353.418 3.803 50 0 FHAARM Cc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(C(C)C)cc2)n1 ZINC000096379758 222117923 /nfs/dbraw/zinc/11/79/23/222117923.db2.gz TXDAJNGLVDMABI-UHFFFAOYSA-N -1 0 374.466 3.914 50 0 FHAARM Cc1cccnc1CN1CCN(Cc2c(Cl)ccc([O-])c2Cl)CC1 ZINC000097334140 222175730 /nfs/dbraw/zinc/17/57/30/222175730.db2.gz NSJAOXKDZGZTDM-UHFFFAOYSA-N -1 0 366.292 3.720 50 0 FHAARM O=C([O-])c1ccc(C(=O)N(Cc2ccc(F)cc2)Cc2ccccn2)s1 ZINC000097635059 222199377 /nfs/dbraw/zinc/19/93/77/222199377.db2.gz DAURPTYTHCPJIW-UHFFFAOYSA-N -1 0 370.405 3.823 50 0 FHAARM CCCCCn1c(=O)c(C(=O)Nc2nc(C)cs2)c([O-])c2ccccc21 ZINC000100469974 222244743 /nfs/dbraw/zinc/24/47/43/222244743.db2.gz LWWRDGNAFIKBSO-UHFFFAOYSA-N -1 0 371.462 3.915 50 0 FHAARM CCCn1c2ccccc2c([O-])c(C(=O)N[C@H](C)c2ccccc2)c1=O ZINC000100509801 222246667 /nfs/dbraw/zinc/24/66/67/222246667.db2.gz QVFNADCGBBLMOB-CQSZACIVSA-N -1 0 350.418 3.608 50 0 FHAARM Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000100711392 222250645 /nfs/dbraw/zinc/25/06/45/222250645.db2.gz NWAYJQLHBBIFSC-HSALFYBXSA-N -1 0 374.396 3.639 50 0 FHAARM Cc1csc(-n2[n-]c(C)c(CCC(=O)Nc3ccc(C)cc3C)c2=O)n1 ZINC000101832717 222285519 /nfs/dbraw/zinc/28/55/19/222285519.db2.gz BDQNXTQHBBCPBG-UHFFFAOYSA-N -1 0 370.478 3.839 50 0 FHAARM Cc1csc(-n2[n-]c(C)c(CCC(=O)Nc3ccc(C)cc3)c2=O)n1 ZINC000101832781 222285719 /nfs/dbraw/zinc/28/57/19/222285719.db2.gz DBYYKNBCTFRTEL-UHFFFAOYSA-N -1 0 356.451 3.531 50 0 FHAARM C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCC(=O)[O-] ZINC000253524977 525348694 /nfs/dbraw/zinc/34/86/94/525348694.db2.gz QIZQZYDEIVNNAA-DNNXKHSDSA-N -1 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/nfs/dbraw/zinc/45/14/31/570451431.db2.gz YNCMIJRFZHDWMZ-UHFFFAOYSA-N -1 0 362.195 3.837 50 0 FHAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cccc2ccccc21 ZINC000011615688 570484121 /nfs/dbraw/zinc/48/41/21/570484121.db2.gz ZULRPZYPOYMTNO-UHFFFAOYSA-N -1 0 370.430 3.608 50 0 FHAARM COc1ccccc1C(=O)Nn1c(CCC(=O)[O-])ccc1-c1cccs1 ZINC000004834791 570525063 /nfs/dbraw/zinc/52/50/63/570525063.db2.gz KJZAUUPVAHMYED-UHFFFAOYSA-N -1 0 370.430 3.626 50 0 FHAARM COc1ccccc1[C@H]1CCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237291402 570548212 /nfs/dbraw/zinc/54/82/12/570548212.db2.gz QEINYHXHDULTRZ-GOSISDBHSA-N -1 0 353.418 3.690 50 0 FHAARM CCCCOc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2OC)cc1 ZINC000003000025 570549250 /nfs/dbraw/zinc/54/92/50/570549250.db2.gz NTBYMHBYLLLLQD-UHFFFAOYSA-N -1 0 365.451 3.684 50 0 FHAARM Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1Cl ZINC000003186054 570553935 /nfs/dbraw/zinc/55/39/35/570553935.db2.gz SDCKTRXYNWWKLT-UHFFFAOYSA-N -1 0 360.218 3.801 50 0 FHAARM CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000003227277 570555067 /nfs/dbraw/zinc/55/50/67/570555067.db2.gz GLSBVSZRUWIUEL-UHFFFAOYSA-N -1 0 360.218 3.517 50 0 FHAARM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237795078 570575482 /nfs/dbraw/zinc/57/54/82/570575482.db2.gz QOYXJSJWZGMVCH-IRXDYDNUSA-N -1 0 369.486 3.805 50 0 FHAARM COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000005030465 570576692 /nfs/dbraw/zinc/57/66/92/570576692.db2.gz CDKHZUUVLKBKCR-INIZCTEOSA-N -1 0 372.446 3.689 50 0 FHAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1csc(-c2ccccc2F)n1 ZINC000237944759 570583271 /nfs/dbraw/zinc/58/32/71/570583271.db2.gz ONDZJGPGMVVHEF-LBPRGKRZSA-N -1 0 362.426 3.809 50 0 FHAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2csc(-c3ccc(F)cc3)n2)C1 ZINC000238022555 570586435 /nfs/dbraw/zinc/58/64/35/570586435.db2.gz OVOUYLXKVDIBKC-GFCCVEGCSA-N -1 0 362.426 3.666 50 0 FHAARM O=C([O-])C1CCN(C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1 ZINC000238041378 570587089 /nfs/dbraw/zinc/58/70/89/570587089.db2.gz NGVXEYJYQICGNK-UHFFFAOYSA-N -1 0 363.335 3.708 50 0 FHAARM O=C([O-])C1CCN(C(=O)CCCc2cc(Cl)sc2Cl)CC1 ZINC000238101387 570589852 /nfs/dbraw/zinc/58/98/52/570589852.db2.gz OGSAUIRTFNXMRL-UHFFFAOYSA-N -1 0 350.267 3.701 50 0 FHAARM CCOc1ccc(Cc2nnc(Nc3cc(C)ccc3C)[n-]c2=O)cc1 ZINC000005154400 570591686 /nfs/dbraw/zinc/59/16/86/570591686.db2.gz BBMGSZWYKSXSOY-UHFFFAOYSA-N -1 0 350.422 3.515 50 0 FHAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000004580633 570596859 /nfs/dbraw/zinc/59/68/59/570596859.db2.gz QHPPNJXAAAPIOO-OAHLLOKOSA-N -1 0 368.216 3.948 50 0 FHAARM COc1cc(S(=O)(=O)[N-]c2c(C)cccc2C)c(OC)cc1Cl ZINC000004727582 570603563 /nfs/dbraw/zinc/60/35/63/570603563.db2.gz NGAPLVYRFXKXDL-UHFFFAOYSA-N -1 0 355.843 3.775 50 0 FHAARM Cc1ccc(S([O-])=CC(=O)c2cc(C)c(OC(=O)N(C)C)c(C)c2)cc1 ZINC000005363590 570650039 /nfs/dbraw/zinc/65/00/39/570650039.db2.gz WIROPUDMGLCPFX-SANMLTNESA-N -1 0 373.474 3.663 50 0 FHAARM Cc1cc([N-]S(=O)(=O)c2ccccc2)nn1Cc1ccc(Cl)cc1 ZINC000002763732 570670151 /nfs/dbraw/zinc/67/01/51/570670151.db2.gz JOKJMIBOBFDVTJ-UHFFFAOYSA-N -1 0 361.854 3.694 50 0 FHAARM CCc1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])nc1-c1ccccc1 ZINC000002765214 570670519 /nfs/dbraw/zinc/67/05/19/570670519.db2.gz DWSFNXPIUCUJDC-KBPBESRZSA-N -1 0 356.447 3.978 50 0 FHAARM CCOC(=O)c1cc(C(C)C)sc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000002765936 570672102 /nfs/dbraw/zinc/67/21/02/570672102.db2.gz UEKYJAMFVJOBET-RYUDHWBXSA-N -1 0 367.467 3.878 50 0 FHAARM CCOC(=O)c1cc(C(C)C)sc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000002765934 570672274 /nfs/dbraw/zinc/67/22/74/570672274.db2.gz UEKYJAMFVJOBET-NWDGAFQWSA-N -1 0 367.467 3.878 50 0 FHAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2cccc(Br)c2)C1 ZINC000002801794 570674053 /nfs/dbraw/zinc/67/40/53/570674053.db2.gz MKGJJHCGSSYNHZ-KGLIPLIRSA-N -1 0 352.228 3.835 50 0 FHAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2OC)c1=O ZINC000002897854 570676608 /nfs/dbraw/zinc/67/66/08/570676608.db2.gz SHFUWCMQQYYSAB-UHFFFAOYSA-N -1 0 366.417 3.768 50 0 FHAARM COc1cc(NC(=O)Cc2ccc3ccccc3c2)c(C(=O)[O-])cc1OC ZINC000008187813 570678374 /nfs/dbraw/zinc/67/83/74/570678374.db2.gz ZXJGUEOXZALUDP-UHFFFAOYSA-N -1 0 365.385 3.736 50 0 FHAARM CCCOc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)ccc1Cl ZINC000009061839 570691219 /nfs/dbraw/zinc/69/12/19/570691219.db2.gz AKOCMYIBCVBULD-UHFFFAOYSA-N -1 0 369.826 3.628 50 0 FHAARM CCCC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000010287759 570699377 /nfs/dbraw/zinc/69/93/77/570699377.db2.gz ONOZRHXVKGSYJW-STQMWFEESA-N -1 0 366.845 3.908 50 0 FHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000005127005 570775599 /nfs/dbraw/zinc/77/55/99/570775599.db2.gz SPKPNFNJLMBGST-UHFFFAOYSA-N -1 0 370.268 3.957 50 0 FHAARM O=C([O-])CCCn1c(=O)c2ccccc2nc1/C=C/c1ccc(F)c(F)c1 ZINC000046102257 570926335 /nfs/dbraw/zinc/92/63/35/570926335.db2.gz ZUFKLBODZBQXSD-CSKARUKUSA-N -1 0 370.355 3.710 50 0 FHAARM CN(C(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000025683390 570998628 /nfs/dbraw/zinc/99/86/28/570998628.db2.gz UJYNYWUUUUQDKU-UHFFFAOYSA-N -1 0 372.471 3.826 50 0 FHAARM O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc(N2CCCCCC2)nc1 ZINC000072269972 571012618 /nfs/dbraw/zinc/01/26/18/571012618.db2.gz INWJHFNINPBWTG-UHFFFAOYSA-N -1 0 367.421 3.541 50 0 FHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3c(cc(C)cc3C)[nH]2)c1 ZINC000028813811 571034712 /nfs/dbraw/zinc/03/47/12/571034712.db2.gz PRGZDEXQSUHIAU-UHFFFAOYSA-N -1 0 372.446 3.536 50 0 FHAARM CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)C=C([O-])c1ccc(Cl)cc1 ZINC000101688208 571073678 /nfs/dbraw/zinc/07/36/78/571073678.db2.gz HSWCXVLUOMGEAJ-LJQANCHMSA-N -1 0 357.837 3.937 50 0 FHAARM COc1ccccc1-n1[n-]c(C)c(Cc2ccc(Br)cc2)c1=O ZINC000008990179 571089462 /nfs/dbraw/zinc/08/94/62/571089462.db2.gz YLFVCPRORVLNJM-UHFFFAOYSA-N -1 0 373.250 3.836 50 0 FHAARM CC(C)n1cc(CN(C)Cc2ccc(O[C@H](C)C(=O)[O-])c(Cl)c2)cn1 ZINC000230547260 571096294 /nfs/dbraw/zinc/09/62/94/571096294.db2.gz VJLVLZMPBXLIOY-CYBMUJFWSA-N -1 0 365.861 3.601 50 0 FHAARM O=C([O-])c1cccc(Nc2nc3ccccc3c(NC[C@H]3CCCO3)n2)c1 ZINC000041151492 571097039 /nfs/dbraw/zinc/09/70/39/571097039.db2.gz OWPXOIWVXXWGRI-OAHLLOKOSA-N -1 0 364.405 3.663 50 0 FHAARM Cc1cc(=O)oc2c1cc1c(c2OCC(=O)[O-])OC2(CCCCC2)CC1 ZINC000009134932 571099088 /nfs/dbraw/zinc/09/90/88/571099088.db2.gz ZLMLUNYUGKTCKS-UHFFFAOYSA-N -1 0 358.390 3.593 50 0 FHAARM COc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c1 ZINC000004600848 571107126 /nfs/dbraw/zinc/10/71/26/571107126.db2.gz GCFHMLBOUOZDSL-SFHVURJKSA-N -1 0 355.434 3.939 50 0 FHAARM COc1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c(OC)c1 ZINC000009467895 571110425 /nfs/dbraw/zinc/11/04/25/571110425.db2.gz OUEZGMYGLRIJKF-UHFFFAOYSA-N -1 0 368.263 3.873 50 0 FHAARM O=C(Nn1c(=S)[n-]nc1-c1ccco1)[C@H]1C[C@H]1c1ccccc1Cl ZINC000009544616 571113224 /nfs/dbraw/zinc/11/32/24/571113224.db2.gz BHFINRFVCYUIFX-QWRGUYRKSA-N -1 0 360.826 3.728 50 0 FHAARM COc1ccccc1CN(Cc1cccnc1)Cc1ccccc1C(=O)[O-] ZINC000055167435 571117465 /nfs/dbraw/zinc/11/74/65/571117465.db2.gz VDFZSWJPHRBQFX-UHFFFAOYSA-N -1 0 362.429 3.991 50 0 FHAARM COc1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)cc1C(C)(C)C ZINC000004626105 571122641 /nfs/dbraw/zinc/12/26/41/571122641.db2.gz ULGRFJLZLZGETK-UHFFFAOYSA-N -1 0 359.451 3.670 50 0 FHAARM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc(-c2cc[nH]n2)s1 ZINC000085664828 571123870 /nfs/dbraw/zinc/12/38/70/571123870.db2.gz ODLRVNPYIATHPC-UHFFFAOYSA-N -1 0 373.381 3.958 50 0 FHAARM O=S(=O)([N-]c1cnc2ccccc2c1)c1ccc(Br)cc1 ZINC000040429871 571141819 /nfs/dbraw/zinc/14/18/19/571141819.db2.gz RLMOBLCMWKCLCX-UHFFFAOYSA-N -1 0 363.236 3.798 50 0 FHAARM CC(C)(C)OC(=O)N1CCC(COc2cc(F)ccc2C(=O)[O-])CC1 ZINC000575444448 571152951 /nfs/dbraw/zinc/15/29/51/571152951.db2.gz VHIHPTXRZXVJRV-UHFFFAOYSA-N -1 0 353.390 3.550 50 0 FHAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000006007840 571170593 /nfs/dbraw/zinc/17/05/93/571170593.db2.gz 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ZINC000036386364 571251313 /nfs/dbraw/zinc/25/13/13/571251313.db2.gz OYIXQCCVTMPTMY-UHFFFAOYSA-N -1 0 357.790 3.595 50 0 FHAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1COc1cc(C)ccc1C ZINC000036612339 571257917 /nfs/dbraw/zinc/25/79/17/571257917.db2.gz WVBGUDRQZQPLDD-LPHOPBHVSA-N -1 0 373.474 3.679 50 0 FHAARM O=S(=O)([N-]c1nccs1)c1ccc(OCC2CCCCC2)cc1 ZINC000089793249 571273344 /nfs/dbraw/zinc/27/33/44/571273344.db2.gz KKMGOEWZCSWCSH-UHFFFAOYSA-N -1 0 352.481 3.903 50 0 FHAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cnc(-c2ccsc2)s1 ZINC000237943588 571277265 /nfs/dbraw/zinc/27/72/65/571277265.db2.gz RPDHMIMBGQKLCA-LBPRGKRZSA-N -1 0 350.465 3.731 50 0 FHAARM Cc1nn(Cc2ccccc2C)c(C)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000252484625 571280345 /nfs/dbraw/zinc/28/03/45/571280345.db2.gz GBMUZTBSVAUBDK-UHFFFAOYSA-N -1 0 373.453 3.797 50 0 FHAARM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000170649461 571282194 /nfs/dbraw/zinc/28/21/94/571282194.db2.gz FWATUZYDKGTKNT-JPQMIFPKSA-N -1 0 374.487 3.687 50 0 FHAARM O=C([O-])c1cc(Cl)ccc1NC(=S)NC(=O)c1ccccc1Cl ZINC000002214472 571288832 /nfs/dbraw/zinc/28/88/32/571288832.db2.gz RNURPDRGCDHNED-UHFFFAOYSA-N -1 0 369.229 3.818 50 0 FHAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000002465276 571312553 /nfs/dbraw/zinc/31/25/53/571312553.db2.gz JBVSZWMSKHCULO-UHFFFAOYSA-N -1 0 372.446 3.833 50 0 FHAARM O=C([O-])C[C@H](NC(=O)[C@H]1C[C@H]1c1ccco1)c1ccc(Cl)c(F)c1 ZINC000095464060 571330341 /nfs/dbraw/zinc/33/03/41/571330341.db2.gz HHLYIOPEBALTDZ-SUNKGSAMSA-N -1 0 351.761 3.508 50 0 FHAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1cccc(Cl)c1)c2=O ZINC000002969796 571343082 /nfs/dbraw/zinc/34/30/82/571343082.db2.gz SXCIXZNQOMRZCY-UHFFFAOYSA-N -1 0 360.822 3.547 50 0 FHAARM O=S(=O)([N-]c1ncc2c(n1)-c1ccccc1CC2)c1ccc(Cl)cc1 ZINC000003132969 571345022 /nfs/dbraw/zinc/34/50/22/571345022.db2.gz WAXMASWQJBTMFC-UHFFFAOYSA-N -1 0 371.849 3.696 50 0 FHAARM O=C([O-])c1ccc(Cl)cc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000003319733 571347321 /nfs/dbraw/zinc/34/73/21/571347321.db2.gz CZYCQZZEHHXUJT-UHFFFAOYSA-N -1 0 361.806 3.992 50 0 FHAARM O=C([O-])CCCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1F ZINC000004104459 571355282 /nfs/dbraw/zinc/35/52/82/571355282.db2.gz DEELNTHFIIHRMK-GOSISDBHSA-N -1 0 354.381 3.758 50 0 FHAARM COc1ccccc1-c1nnc([N-]c2nc3cc4c(cc3s2)OCO4)o1 ZINC000004137832 571355982 /nfs/dbraw/zinc/35/59/82/571355982.db2.gz KNSUNPHICVKOAE-UHFFFAOYSA-N -1 0 368.374 3.827 50 0 FHAARM O=S(=O)([N-]c1ccc(-c2cn3c(n2)SCC3)cc1)c1cccs1 ZINC000004249144 571357211 /nfs/dbraw/zinc/35/72/11/571357211.db2.gz SCTVAJBHKGQFNL-UHFFFAOYSA-N -1 0 363.489 3.518 50 0 FHAARM COc1ccc(Cc2nnc(Nc3cc(Cl)ccc3OC)[n-]c2=O)cc1 ZINC000004317190 571357942 /nfs/dbraw/zinc/35/79/42/571357942.db2.gz HSTGPOYBJKCBAT-UHFFFAOYSA-N -1 0 372.812 3.582 50 0 FHAARM O=C([O-])C[C@H]1CCCN(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)C1 ZINC000557177781 597119283 /nfs/dbraw/zinc/11/92/83/597119283.db2.gz USTKVGRKMXGCNY-OAHLLOKOSA-N -1 0 366.417 3.636 50 0 FHAARM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000237599024 600428009 /nfs/dbraw/zinc/42/80/09/600428009.db2.gz OCHSPINFTJRTBC-UHFFFAOYSA-N -1 0 354.406 3.930 50 0 FHAARM O=C([O-])c1cc(C(=O)N(CCc2ccc(F)cc2)C2CCCC2)ccn1 ZINC000263577675 601281110 /nfs/dbraw/zinc/28/11/10/601281110.db2.gz RSDJALZIWZTELY-UHFFFAOYSA-N -1 0 356.397 3.546 50 0 FHAARM Cc1ccc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1Cl ZINC000006714184 601316558 /nfs/dbraw/zinc/31/65/58/601316558.db2.gz ZMCQPKFVAFXADF-UITAMQMPSA-N -1 0 351.811 3.547 50 0 FHAARM Cc1c([N-]S(=O)(=O)c2cccc3cc(C)cnc32)cnn1C1CCCC1 ZINC000194226517 934659221 /nfs/dbraw/zinc/65/92/21/934659221.db2.gz GPUPXXFGQWAKPO-UHFFFAOYSA-N -1 0 370.478 3.964 50 0 FHAARM O=C([O-])c1ccnc(C(=O)N(CCc2ccc(F)cc2)C2CCCC2)c1 ZINC000263447957 938990325 /nfs/dbraw/zinc/99/03/25/938990325.db2.gz ZGABAGNOFBPDRM-UHFFFAOYSA-N -1 0 356.397 3.546 50 0 FHAARM CC(C)(C)c1cc([N-]S(=O)(=O)c2cncc(Cl)c2)n(C(C)(C)C)n1 ZINC000330462985 944361045 /nfs/dbraw/zinc/36/10/45/944361045.db2.gz ZBPNDIJUHVGRQF-UHFFFAOYSA-N -1 0 370.906 3.785 50 0 FHAARM CN(Cc1cscn1)Cc1cc(-c2cccs2)ccc1OCC(=O)[O-] ZINC000299777883 530020703 /nfs/dbraw/zinc/02/07/03/530020703.db2.gz PDNGKGLJRMXENL-UHFFFAOYSA-N -1 0 374.487 3.967 50 0 FHAARM COc1ccc(NC(=O)Cc2cccc3c2cccc3S(=O)[O-])cc1 ZINC000000622417 219305639 /nfs/dbraw/zinc/30/56/39/219305639.db2.gz WGRUYCUZPMXWPA-UHFFFAOYSA-N -1 0 355.415 3.610 50 0 FHAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)c(C)c1 ZINC000000665447 219309970 /nfs/dbraw/zinc/30/99/70/219309970.db2.gz IBTHLXHZUVZOAN-UHFFFAOYSA-N -1 0 372.490 3.649 50 0 FHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000000634193 219307879 /nfs/dbraw/zinc/30/78/79/219307879.db2.gz FNJZFISFYPUTCA-UHFFFAOYSA-N -1 0 362.234 3.811 50 0 FHAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000000710124 219315164 /nfs/dbraw/zinc/31/51/64/219315164.db2.gz REPNDUVJEMOPFK-LJQANCHMSA-N -1 0 366.417 3.546 50 0 FHAARM COc1ccccc1[C@H]1CC(c2ccc(C)cc2)=NN1C(=O)CCC(=O)[O-] ZINC000000710162 219316603 /nfs/dbraw/zinc/31/66/03/219316603.db2.gz CVGIZOLHOJRPAB-GOSISDBHSA-N -1 0 366.417 3.546 50 0 FHAARM O=c1oc2c(cc([N-]S(=O)(=O)c3cccs3)c3ccccc23)s1 ZINC000000793391 219321356 /nfs/dbraw/zinc/32/13/56/219321356.db2.gz RMPQNJFCVJWVFN-UHFFFAOYSA-N -1 0 363.441 3.870 50 0 FHAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)Nc1ncnc2c3ccccc3oc21 ZINC000000808330 219324855 /nfs/dbraw/zinc/32/48/55/219324855.db2.gz BJJRLNGOOBKOPX-MRXNPFEDSA-N -1 0 372.384 3.965 50 0 biogenic FHAARM COc1cccc(-c2cc(C(F)(F)F)n3nc(C(=O)[O-])c(Cl)c3n2)c1 ZINC000000902753 219339405 /nfs/dbraw/zinc/33/94/05/219339405.db2.gz TZYRJYXQFGWBLR-UHFFFAOYSA-N -1 0 371.702 3.775 50 0 FHAARM CC(C)(C)c1nnc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)s1 ZINC000000917292 219340359 /nfs/dbraw/zinc/34/03/59/219340359.db2.gz ZXRFLCNCHVQTLX-UHFFFAOYSA-N -1 0 366.295 3.943 50 0 FHAARM Cc1ccc([C@H]2SC[C@H](C(=O)[O-])N2C(=O)c2cccc(Cl)c2)cc1 ZINC000000974399 219348863 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ZINC000004613360 263335228 /nfs/dbraw/zinc/33/52/28/263335228.db2.gz BCXKIFJJJGSVDX-UHFFFAOYSA-N -1 0 357.369 3.952 50 0 FHAARM Cc1nn([C@@H](CC(=O)c2ccccc2)C(=O)[O-])c(C)c1Cc1ccccc1 ZINC000020095947 526301162 /nfs/dbraw/zinc/30/11/62/526301162.db2.gz VRNUJNCMUKRTPJ-FQEVSTJZSA-N -1 0 362.429 3.989 50 0 FHAARM Cc1cccc(NS(=O)(=O)c2ccc(Br)c(F)c2)c1F ZINC000095067914 570451197 /nfs/dbraw/zinc/45/11/97/570451197.db2.gz LHKFYBQZZJFDCV-UHFFFAOYSA-N -1 0 362.195 3.837 50 0 FHAARM CCOc1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cc1 ZINC000095067902 570451281 /nfs/dbraw/zinc/45/12/81/570451281.db2.gz MBRXBKAVVSFAEE-UHFFFAOYSA-N -1 0 374.231 3.788 50 0 FHAARM Cc1nc(CN2CCN([C@@H](C(=O)[O-])c3ccc(C(C)C)cc3)CC2)cs1 ZINC000095390835 570460839 /nfs/dbraw/zinc/46/08/39/570460839.db2.gz VLJDZTSCFUMFAW-LJQANCHMSA-N -1 0 373.522 3.518 50 0 FHAARM COc1ccc2c(C)c(C(=O)N(C)[C@@H](C(=O)[O-])c3cccs3)oc2c1 ZINC000095511732 570465786 /nfs/dbraw/zinc/46/57/86/570465786.db2.gz LAYTZSYLKAKMPN-OAHLLOKOSA-N -1 0 359.403 3.709 50 0 FHAARM C[C@H]1CCc2c(sc3ncn4nc(-c5ccccc5C(=O)[O-])nc4c23)C1 ZINC000002441731 570521105 /nfs/dbraw/zinc/52/11/05/570521105.db2.gz RTLMQSNSBGWVRA-JTQLQIEISA-N -1 0 364.430 3.829 50 0 FHAARM Cc1ccc(CSC(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000002560022 570524718 /nfs/dbraw/zinc/52/47/18/570524718.db2.gz SIBYHJVDFRKDDV-CQSZACIVSA-N -1 0 353.484 3.985 50 0 FHAARM O=C([O-])c1ccc(CNC(=S)Nc2ccccc2C(F)(F)F)cc1 ZINC000002852588 570537658 /nfs/dbraw/zinc/53/76/58/570537658.db2.gz LJZDYPCGWMXWDP-UHFFFAOYSA-N -1 0 354.353 3.890 50 0 FHAARM CCCCOc1c(I)cc(C(=O)[O-])cc1OCC ZINC000002862407 570539974 /nfs/dbraw/zinc/53/99/74/570539974.db2.gz COXJAYMYGURUMZ-UHFFFAOYSA-N -1 0 364.179 3.567 50 0 FHAARM O=C([O-])c1cc(NC(=S)NC(=O)/C=C/c2ccccc2)ccc1Cl ZINC000003003351 570549815 /nfs/dbraw/zinc/54/98/15/570549815.db2.gz GIZRLDQIHNGUBJ-RMKNXTFCSA-N -1 0 360.822 3.565 50 0 FHAARM COC(=O)c1ccccc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000024100850 570550158 /nfs/dbraw/zinc/55/01/58/570550158.db2.gz VODWMEFCYQJPPO-ZHACJKMWSA-N -1 0 351.811 3.539 50 0 FHAARM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000237340334 570550223 /nfs/dbraw/zinc/55/02/23/570550223.db2.gz PHYPRELBAPWWCA-UONOGXRCSA-N -1 0 371.399 3.987 50 0 FHAARM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000237540457 570564956 /nfs/dbraw/zinc/56/49/56/570564956.db2.gz PHYPRELBAPWWCA-KGLIPLIRSA-N -1 0 371.399 3.987 50 0 FHAARM O=C([O-])CCNc1nc2ccc(Br)cc2c(-c2ccccc2)n1 ZINC000004956151 570567056 /nfs/dbraw/zinc/56/70/56/570567056.db2.gz RDOHZEGBSDXWQZ-UHFFFAOYSA-N -1 0 372.222 3.946 50 0 FHAARM Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000005034405 570577540 /nfs/dbraw/zinc/57/75/40/570577540.db2.gz UONXWXRIYVLXNB-INIZCTEOSA-N -1 0 356.447 3.989 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)sc2C(N)=O)cc1 ZINC000004297038 570583935 /nfs/dbraw/zinc/58/39/35/570583935.db2.gz OYMIWLNUISAECO-UHFFFAOYSA-N -1 0 372.471 3.623 50 0 FHAARM O=C([O-])CC[C@H]1CCCCN1C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000237983391 570585093 /nfs/dbraw/zinc/58/50/93/570585093.db2.gz ZKQPBMVPUWGRPR-MRXNPFEDSA-N -1 0 356.422 3.520 50 0 FHAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000238017750 570586179 /nfs/dbraw/zinc/58/61/79/570586179.db2.gz MQNFBMFFSYBKQP-GFCCVEGCSA-N -1 0 362.813 3.712 50 0 FHAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2csc(-c3ccccc3F)n2)C1 ZINC000238022742 570586546 /nfs/dbraw/zinc/58/65/46/570586546.db2.gz XFQLJESWXBHVKR-GFCCVEGCSA-N -1 0 362.426 3.666 50 0 FHAARM O=S(=O)([N-]c1ccccc1OC(F)F)c1ccc2c(c1)CCCC2 ZINC000005127099 570587481 /nfs/dbraw/zinc/58/74/81/570587481.db2.gz NBTXJCVMAFPAGX-UHFFFAOYSA-N -1 0 353.390 3.968 50 0 FHAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(F)cc2Cl)c1C ZINC000005134908 570588116 /nfs/dbraw/zinc/58/81/16/570588116.db2.gz UYVMJPWYJKRPKQ-UHFFFAOYSA-N -1 0 357.790 3.595 50 0 FHAARM CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000004651464 570598430 /nfs/dbraw/zinc/59/84/30/570598430.db2.gz HUXBYZKEVYINJX-QWHCGFSZSA-N -1 0 365.451 3.619 50 0 FHAARM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccc(C(C)C)cc2)c1C ZINC000075348037 570631978 /nfs/dbraw/zinc/63/19/78/570631978.db2.gz ZIEJPOXPWPRLTA-UHFFFAOYSA-N -1 0 364.467 3.732 50 0 FHAARM CCc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(OC)nn3)c2)cc1 ZINC000005204181 570633248 /nfs/dbraw/zinc/63/32/48/570633248.db2.gz QLUOIWLUIVPZBS-UHFFFAOYSA-N -1 0 369.446 3.515 50 0 FHAARM CCOc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000006706995 570652794 /nfs/dbraw/zinc/65/27/94/570652794.db2.gz NIMMSQSIJFCNQO-UHFFFAOYSA-N -1 0 361.250 3.896 50 0 FHAARM O=S(=O)([N-]c1ccn(Cc2cccc(F)c2)n1)c1ccc(Cl)cc1 ZINC000002804623 570673750 /nfs/dbraw/zinc/67/37/50/570673750.db2.gz HYQAAFWTHVGAGB-UHFFFAOYSA-N -1 0 365.817 3.525 50 0 FHAARM Cc1ccc(-c2nnc(-c3cc(Br)ccc3N)[n-]c2=O)cc1 ZINC000071922019 570680740 /nfs/dbraw/zinc/68/07/40/570680740.db2.gz PCNNXTCRGKTMTQ-UHFFFAOYSA-N -1 0 357.211 3.564 50 0 FHAARM CC(C)CN(CC(=O)[O-])C(=O)c1cn(Cc2ccccc2)c2ccccc12 ZINC000236696046 570683424 /nfs/dbraw/zinc/68/34/24/570683424.db2.gz WJKXNGFTLLZNBL-UHFFFAOYSA-N -1 0 364.445 3.872 50 0 FHAARM CCOc1ccc([C@H](c2sc3nc(CC)nn3c2[O-])N2CCCC2)cc1 ZINC000022852995 570694658 /nfs/dbraw/zinc/69/46/58/570694658.db2.gz PXENRKVJMAYZHY-MRXNPFEDSA-N -1 0 372.494 3.643 50 0 FHAARM Cc1cccc([N-]S(=O)(=O)c2cc(C)c(Br)cc2C)n1 ZINC000012552645 570750084 /nfs/dbraw/zinc/75/00/84/570750084.db2.gz DKLNKEMUIZJBCV-UHFFFAOYSA-N -1 0 355.257 3.570 50 0 FHAARM Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)[O-])c(C)c1 ZINC000012627861 570754141 /nfs/dbraw/zinc/75/41/41/570754141.db2.gz NQKYYTOIPXZUSM-UHFFFAOYSA-N -1 0 356.447 3.909 50 0 FHAARM COc1ccc(OCCSc2nc3ccccc3n2CCC(=O)[O-])cc1 ZINC000169295255 570800324 /nfs/dbraw/zinc/80/03/24/570800324.db2.gz ZMLCLNZTGJYCDG-UHFFFAOYSA-N -1 0 372.446 3.691 50 0 FHAARM Cn1c(=O)c(-c2nc(-c3ccc(Cl)cc3)no2)c([O-])c2cc(F)ccc21 ZINC000101725127 570822413 /nfs/dbraw/zinc/82/24/13/570822413.db2.gz KPVSUZXTCMMQDR-UHFFFAOYSA-N -1 0 371.755 3.754 50 0 FHAARM CCc1ccc(-c2noc(-c3c([O-])c4cc(F)ccc4n(C)c3=O)n2)cc1 ZINC000101725191 570822940 /nfs/dbraw/zinc/82/29/40/570822940.db2.gz QOGIIARPLNIAJH-UHFFFAOYSA-N -1 0 365.364 3.663 50 0 FHAARM CCOc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1OCc1ccccc1C ZINC000004577220 570843575 /nfs/dbraw/zinc/84/35/75/570843575.db2.gz JTUAJTCMBOYKFB-VQIMIIECSA-N -1 0 373.474 3.761 50 0 FHAARM C[C@@H]1CCC[C@@H](NC(=O)CCCn2c(=O)c3ccccc3[n-]c2=S)[C@H]1C ZINC000104173494 570857611 /nfs/dbraw/zinc/85/76/11/570857611.db2.gz QFCMWBXCYIESJC-IJEWVQPXSA-N -1 0 373.522 3.780 50 0 FHAARM CCc1ccc(CN(C)C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)cc1 ZINC000047056248 570879130 /nfs/dbraw/zinc/87/91/30/570879130.db2.gz AQJPRLQKIQBODB-UHFFFAOYSA-N -1 0 353.447 3.833 50 0 FHAARM CN(Cc1ccc(Cl)cc1)C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000047047444 570879241 /nfs/dbraw/zinc/87/92/41/570879241.db2.gz FABPANVPMNVJTH-UHFFFAOYSA-N -1 0 359.838 3.924 50 0 FHAARM CCCCN(C)c1ccc(NC(=O)c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000046053315 570921934 /nfs/dbraw/zinc/92/19/34/570921934.db2.gz AGXWFDPMPABFDM-UHFFFAOYSA-N -1 0 356.422 3.882 50 0 FHAARM O=C([O-])C=Cc1ccc(N2C(=O)C[C@H](Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000005768551 570968749 /nfs/dbraw/zinc/96/87/49/570968749.db2.gz MBWATKBJRWQLPR-RNOHYWCBSA-N -1 0 369.804 3.560 50 0 FHAARM CCOc1ccccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000024250231 570973601 /nfs/dbraw/zinc/97/36/01/570973601.db2.gz HSBORFJDJZSAPX-UHFFFAOYSA-N -1 0 361.341 3.785 50 0 FHAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2n[nH]c(C3CC3)n2)c(C)s1 ZINC000026541406 571006590 /nfs/dbraw/zinc/00/65/90/571006590.db2.gz GMGODEVWRGMIOK-UHFFFAOYSA-N -1 0 374.491 3.828 50 0 FHAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1 ZINC000032918507 571060136 /nfs/dbraw/zinc/06/01/36/571060136.db2.gz CRRYKTZLRSKPNR-UHFFFAOYSA-N -1 0 371.389 3.992 50 0 FHAARM Cc1nn(C)c2ncc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc12 ZINC000022959372 571060771 /nfs/dbraw/zinc/06/07/71/571060771.db2.gz MOKHQOULXVEMAP-UHFFFAOYSA-N -1 0 372.494 3.620 50 0 FHAARM O=C(Cn1c(=S)[nH]nc1-c1cccs1)Nc1ccc(Cl)cc1 ZINC000039548973 571064749 /nfs/dbraw/zinc/06/47/49/571064749.db2.gz NLFRACUOZBADSY-UHFFFAOYSA-N -1 0 350.856 3.961 50 0 FHAARM CC(C)c1ccc(CCC(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000040145197 571085177 /nfs/dbraw/zinc/08/51/77/571085177.db2.gz CTKWZBCMIYBTQN-UHFFFAOYSA-N -1 0 369.490 3.699 50 0 FHAARM C[C@@H](C(=O)[O-])C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000685939974 571098999 /nfs/dbraw/zinc/09/89/99/571098999.db2.gz OSUNOLNZLUSNAD-ZDUSSCGKSA-N -1 0 351.402 3.778 50 0 FHAARM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(Cl)s2)n[nH]1 ZINC000072313732 571107503 /nfs/dbraw/zinc/10/75/03/571107503.db2.gz UTAWORLZJFWILE-UHFFFAOYSA-N -1 0 353.856 3.901 50 0 FHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)CCCc2nc3ccccc3s2)C1 ZINC000237956891 571106525 /nfs/dbraw/zinc/10/65/25/571106525.db2.gz BXKHVXKQKPGEAQ-AWEZNQCLSA-N -1 0 360.479 3.722 50 0 FHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1 ZINC000009609160 571115222 /nfs/dbraw/zinc/11/52/22/571115222.db2.gz SYSYVFNSXLFBNC-UHFFFAOYSA-N -1 0 372.446 3.536 50 0 FHAARM Cc1ccc2c(c1)[C@@](O)(C(F)(F)F)C(=O)N2C1C2CC3CC(C2)CC1C3 ZINC000004654021 571154706 /nfs/dbraw/zinc/15/47/06/571154706.db2.gz PLDWOXXQACUTOY-XCKFJOIBSA-N -1 0 365.395 3.916 50 0 FHAARM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(Br)cn2)cc1 ZINC000006213707 571166871 /nfs/dbraw/zinc/16/68/71/571166871.db2.gz HAGIGGGWRBPHAW-UHFFFAOYSA-N -1 0 369.284 3.988 50 0 FHAARM Cc1cc(C)c(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)c(C)c1 ZINC000012560827 571182561 /nfs/dbraw/zinc/18/25/61/571182561.db2.gz UTYNXEDHJICZCJ-UHFFFAOYSA-N -1 0 353.447 3.870 50 0 FHAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 ZINC000012560922 571182683 /nfs/dbraw/zinc/18/26/83/571182683.db2.gz ACHUGSVQNHQVSJ-UHFFFAOYSA-N -1 0 374.462 3.566 50 0 FHAARM CCc1ccc(OCC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000003626953 571186244 /nfs/dbraw/zinc/18/62/44/571186244.db2.gz ITISSYCYPZDLSB-KRWDZBQOSA-N -1 0 361.825 3.613 50 0 FHAARM O=C([O-])C[C@@H](NC(=O)COc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000003626968 571186371 /nfs/dbraw/zinc/18/63/71/571186371.db2.gz TTXCOVLBIHEPBN-CQSZACIVSA-N -1 0 368.216 3.704 50 0 FHAARM Cc1ccc(C)c(-c2noc(-c3c([O-])c4ccc(F)cc4[nH]c3=O)n2)c1 ZINC000075536657 571195289 /nfs/dbraw/zinc/19/52/89/571195289.db2.gz PASHXIQYVPYKHB-UHFFFAOYSA-N -1 0 351.337 3.707 50 0 FHAARM CSc1ncc(C(=O)[O-])c(-c2ccccc2C(=O)N(C(C)C)C(C)C)n1 ZINC000534583452 571205149 /nfs/dbraw/zinc/20/51/49/571205149.db2.gz SDQRCFZBYXKNIB-UHFFFAOYSA-N -1 0 373.478 3.823 50 0 FHAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(F)c(Cl)c4)c=3c2=O)cc1 ZINC000023125910 571216577 /nfs/dbraw/zinc/21/65/77/571216577.db2.gz SVLZSRCPZWECJR-HZPDHXFCSA-N -1 0 372.787 3.539 50 0 FHAARM O=C([O-])C[C@H](c1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O ZINC000004753307 571231440 /nfs/dbraw/zinc/23/14/40/571231440.db2.gz CSUCGBRJPHTGGP-CQSZACIVSA-N -1 0 364.184 3.805 50 0 FHAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000006887684 571253184 /nfs/dbraw/zinc/25/31/84/571253184.db2.gz AWQOLIMXOAFAFA-UHFFFAOYSA-N -1 0 358.419 3.768 50 0 FHAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000006975324 571256239 /nfs/dbraw/zinc/25/62/39/571256239.db2.gz FWBKVFPWRPIATE-UHFFFAOYSA-N -1 0 362.282 3.761 50 0 FHAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1cc(C)ccc1C ZINC000036612341 571257931 /nfs/dbraw/zinc/25/79/31/571257931.db2.gz WVBGUDRQZQPLDD-APWZRJJASA-N -1 0 373.474 3.679 50 0 FHAARM Cc1cc2oc(-c3ccccc3)c(-c3c([O-])cc(C)oc3=O)c2c(=O)o1 ZINC000524730033 571258417 /nfs/dbraw/zinc/25/84/17/571258417.db2.gz RYKOUHSOHWQXRE-UHFFFAOYSA-N -1 0 350.326 3.996 50 0 FHAARM Cc1ccc(-c2nc(CN[C@H](Cc3ccccc3)C(=O)[O-])cs2)cc1 ZINC000170090794 571262194 /nfs/dbraw/zinc/26/21/94/571262194.db2.gz OAZQCECVROVEIX-GOSISDBHSA-N -1 0 352.459 3.904 50 0 FHAARM CC(C)(C)[C@H](NC(=O)CCCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000170592058 571270105 /nfs/dbraw/zinc/27/01/05/571270105.db2.gz HXVFJEKHQAQKTB-LLVKDONJSA-N -1 0 352.283 3.993 50 0 FHAARM CC(=O)Nc1cc(NC(=O)CC2(C(=O)[O-])CCCCCC2)ccc1F ZINC000042734487 571270450 /nfs/dbraw/zinc/27/04/50/571270450.db2.gz JCVPPSBQXPNEPW-UHFFFAOYSA-N -1 0 350.390 3.538 50 0 FHAARM Cc1ccccc1COc1ccc2c(C)c(CC(=O)[O-])c(=O)oc2c1C ZINC000002149076 571280825 /nfs/dbraw/zinc/28/08/25/571280825.db2.gz OVRUDNWWZORPPX-UHFFFAOYSA-N -1 0 352.386 3.924 50 0 biogenic FHAARM CC(C)CCNC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000002970314 571293388 /nfs/dbraw/zinc/29/33/88/571293388.db2.gz VXCGKSFCCSKKFI-UHFFFAOYSA-N -1 0 361.511 3.782 50 0 FHAARM CC(C)Cc1ccc(-c2nn(CCC(=O)[O-])c(=O)c3ccccc32)cc1 ZINC000019862914 571308261 /nfs/dbraw/zinc/30/82/61/571308261.db2.gz CKWYFABQXQIAFJ-UHFFFAOYSA-N -1 0 350.418 3.737 50 0 FHAARM COc1ccc(-c2nc3n(n2)[C@@](C)(CCC(=O)[O-])Nc2ccccc2-3)cc1 ZINC000253432842 571316621 /nfs/dbraw/zinc/31/66/21/571316621.db2.gz ORLVFXMZKCBNNT-FQEVSTJZSA-N -1 0 364.405 3.584 50 0 FHAARM Cc1ccc(/C=C/S(=O)(=O)[N-]c2c3ccccc3sc2C(N)=O)cc1 ZINC000078900017 571326395 /nfs/dbraw/zinc/32/63/95/571326395.db2.gz LRDCVCTXHVXLDG-ZHACJKMWSA-N -1 0 372.471 3.721 50 0 FHAARM O=C([O-])c1ccc(-c2ccc([C@@H]3SCC(=O)Nc4n[nH]cc43)o2)cc1 ZINC000079486720 571327558 /nfs/dbraw/zinc/32/75/58/571327558.db2.gz KLAYPIQXCVDZCR-OAHLLOKOSA-N -1 0 355.375 3.792 50 0 FHAARM O=C([O-])c1ccc([C@@H]2SCC(=O)Nc3ncn(-c4ccccc4)c32)cc1 ZINC000095474381 571330814 /nfs/dbraw/zinc/33/08/14/571330814.db2.gz BXNXFYRTAQXOCS-KRWDZBQOSA-N -1 0 365.414 3.995 50 0 FHAARM O=C([O-])c1ccc(-n2ncc3c2NC(=O)CS[C@@H]3c2ccccc2)cc1 ZINC000095475681 571330849 /nfs/dbraw/zinc/33/08/49/571330849.db2.gz CKDAXPCMRQWJHP-QGZVFWFLSA-N -1 0 365.414 3.995 50 0 FHAARM Cc1c2cc(S(=O)(=O)N(CC(C)C)CC(C)C)ccc2oc1C(=O)[O-] ZINC000002500226 571337483 /nfs/dbraw/zinc/33/74/83/571337483.db2.gz KNOQKUKXHOWCPJ-UHFFFAOYSA-N -1 0 367.467 3.742 50 0 FHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=S)Nc2ccccc2Cl)c1 ZINC000002649149 571340001 /nfs/dbraw/zinc/34/00/01/571340001.db2.gz TWIOIKOABXZHHG-UHFFFAOYSA-N -1 0 370.883 3.648 50 0 FHAARM COc1cc2c(cc1[N-]S(=O)(=O)c1c(C)n[nH]c1C)oc1ccccc12 ZINC000003566221 571351106 /nfs/dbraw/zinc/35/11/06/571351106.db2.gz CISJQVSWDBNYFB-UHFFFAOYSA-N -1 0 371.418 3.735 50 0 FHAARM O=C([O-])CC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1 ZINC000004050646 571354521 /nfs/dbraw/zinc/35/45/21/571354521.db2.gz AQOIAODAHOWPFY-UHFFFAOYSA-N -1 0 374.702 3.959 50 0 FHAARM Cc1csc2nc(-c3cccc([N-]S(=O)(=O)c4cccnc4)c3)cn12 ZINC000004249119 571357222 /nfs/dbraw/zinc/35/72/22/571357222.db2.gz LBRYAPDFMQDSPG-UHFFFAOYSA-N -1 0 370.459 3.567 50 0 FHAARM COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000008195504 571359819 /nfs/dbraw/zinc/35/98/19/571359819.db2.gz RLLHFHCBTHOUED-UHFFFAOYSA-N -1 0 370.430 3.608 50 0 FHAARM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC000263248818 600902822 /nfs/dbraw/zinc/90/28/22/600902822.db2.gz GVOCWLQFASSOCP-UGSOOPFHSA-N -1 0 357.381 3.512 50 0 FHAARM O=C([O-])CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000000722395 219316975 /nfs/dbraw/zinc/31/69/75/219316975.db2.gz YUZNDIGMYMDLKG-UHFFFAOYSA-N -1 0 372.446 3.683 50 0 FHAARM O=C([O-])CSc1cccc(C(=O)Nc2ccc(Br)cc2)c1 ZINC000000786410 219320203 /nfs/dbraw/zinc/32/02/03/219320203.db2.gz XTIMNDVECJMYMG-UHFFFAOYSA-N -1 0 366.236 3.878 50 0 FHAARM Cc1nc2sc3c(c2c(N[C@H](Cc2ccccc2)C(=O)[O-])n1)CCCC3 ZINC000000784792 219320749 /nfs/dbraw/zinc/32/07/49/219320749.db2.gz CXESIULSJQNFDL-OAHLLOKOSA-N -1 0 367.474 3.986 50 0 FHAARM CC1(C)Cc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)sc2C(=O)C1 ZINC000000795392 219322199 /nfs/dbraw/zinc/32/21/99/219322199.db2.gz DNYOPSAKENBBFX-UHFFFAOYSA-N -1 0 370.883 3.752 50 0 FHAARM CCOc1ccc2nc([N-]S(=O)(=O)c3ccc(OC)cc3)sc2c1 ZINC000000811145 219324802 /nfs/dbraw/zinc/32/48/02/219324802.db2.gz VNPMEZPXRJMVHD-UHFFFAOYSA-N -1 0 364.448 3.504 50 0 FHAARM O=S(=O)([N-]c1ccc(Br)cn1)c1ccc2ccccc2c1 ZINC000000860703 219331791 /nfs/dbraw/zinc/33/17/91/219331791.db2.gz ATDLJVOBHQDGNJ-UHFFFAOYSA-N -1 0 363.236 3.798 50 0 FHAARM Cc1ccc([C@@H]2SC[C@@H](C(=O)[O-])N2C(=O)c2cccc(Cl)c2)cc1 ZINC000000974400 219348781 /nfs/dbraw/zinc/34/87/81/219348781.db2.gz KEHAOGCUVNGZOK-RDJZCZTQSA-N -1 0 361.850 3.989 50 0 FHAARM Cc1cc(=O)n2[n-]c(C(F)(F)F)c(-c3ccc(Br)cc3)c2n1 ZINC000001029660 219354586 /nfs/dbraw/zinc/35/45/86/219354586.db2.gz NGHMUDUZEPJROQ-UHFFFAOYSA-N -1 0 372.144 3.779 50 0 FHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000001032536 219355160 /nfs/dbraw/zinc/35/51/60/219355160.db2.gz CJUUTUZWPHWSLL-UHFFFAOYSA-N -1 0 368.842 3.792 50 0 FHAARM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)c(C)c1C ZINC000001112039 219371180 /nfs/dbraw/zinc/37/11/80/219371180.db2.gz GXCFNRJPHMINLU-UHFFFAOYSA-N -1 0 355.843 3.775 50 0 FHAARM O=S(=O)([N-]c1nc2ccc(Br)cc2s1)c1ccccc1 ZINC000001114358 219372387 /nfs/dbraw/zinc/37/23/87/219372387.db2.gz HRCCRZZESKTTJV-UHFFFAOYSA-N -1 0 369.265 3.860 50 0 FHAARM Cc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2C)c(Cl)c1 ZINC000001158148 219383046 /nfs/dbraw/zinc/38/30/46/219383046.db2.gz IERVWQNDSLOLBW-UHFFFAOYSA-N -1 0 362.838 3.782 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000001234468 219391144 /nfs/dbraw/zinc/39/11/44/219391144.db2.gz BWBFNPRSLLKIME-UHFFFAOYSA-N -1 0 359.234 3.812 50 0 FHAARM Cc1cc(C(=O)Nc2ccccc2C(=O)[O-])ccc1NC(=O)C(C)(C)C ZINC000001215507 219390068 /nfs/dbraw/zinc/39/00/68/219390068.db2.gz XAJLLXMTPIBFGY-UHFFFAOYSA-N -1 0 354.406 3.930 50 0 FHAARM Cc1nn(Cc2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)o2)c(C)c1Cl ZINC000004179987 219553748 /nfs/dbraw/zinc/55/37/48/219553748.db2.gz HCFIXSXKPGJWIK-UHFFFAOYSA-N -1 0 373.796 3.745 50 0 FHAARM Cc1c(CCNC(=O)CCC(=O)[O-])c2ccccc2n1Cc1ccccc1 ZINC000004543904 219585343 /nfs/dbraw/zinc/58/53/43/219585343.db2.gz GDQVFMFKEUIECH-UHFFFAOYSA-N -1 0 364.445 3.522 50 0 FHAARM O=C([O-])C[C@H](Cc1ccccc1)C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000004698255 219597067 /nfs/dbraw/zinc/59/70/67/219597067.db2.gz QDKOBLJNXLXKDU-ONUXSRJRSA-N -1 0 355.478 3.653 50 0 FHAARM CCCCN(CC)C(=O)c1ccc2c(c1)[n-]c(=S)n(CC(C)C)c2=O ZINC000005267424 219667536 /nfs/dbraw/zinc/66/75/36/219667536.db2.gz OCOFHEMVFGFYQZ-UHFFFAOYSA-N -1 0 361.511 3.977 50 0 FHAARM CCOc1cc(C(=O)[O-])c(NC(=O)c2ccccc2SC)cc1OC ZINC000007002328 219786457 /nfs/dbraw/zinc/78/64/57/219786457.db2.gz AVTYVYRFNKTXNH-UHFFFAOYSA-N -1 0 361.419 3.766 50 0 FHAARM COc1ccc(Cc2nnc(Nc3cc(C)cc(C)c3)[n-]c2=O)cc1OC ZINC000008741169 219868302 /nfs/dbraw/zinc/86/83/02/219868302.db2.gz CIOGHRQAPIDBGS-UHFFFAOYSA-N -1 0 366.421 3.546 50 0 FHAARM Cc1ccc(S(=O)(=O)Oc2cc3ccccc3cc2C(=O)[O-])c(C)c1 ZINC000012728533 220022197 /nfs/dbraw/zinc/02/21/97/220022197.db2.gz SGJGLGOMMMXLBV-UHFFFAOYSA-N -1 0 356.399 3.923 50 0 FHAARM Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC000012771475 220028151 /nfs/dbraw/zinc/02/81/51/220028151.db2.gz OVFAFPNQBFVQIL-UHFFFAOYSA-N -1 0 374.506 3.809 50 0 FHAARM CC[C@@H](C)c1ccc(S(=O)(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC000013278418 220063082 /nfs/dbraw/zinc/06/30/82/220063082.db2.gz RMYSTPWEIZPODW-CYBMUJFWSA-N -1 0 359.447 3.650 50 0 FHAARM COc1cc(/C=C/c2noc(-c3ccccc3O)n2)cc(OC)c1OC ZINC000013120394 220058355 /nfs/dbraw/zinc/05/83/55/220058355.db2.gz LHRJHMDQIQUMPG-CMDGGOBGSA-N -1 0 354.362 3.638 50 0 aggregator FHAARM COc1ccccc1/C=C(/NC(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000013124941 220058835 /nfs/dbraw/zinc/05/88/35/220058835.db2.gz XOECXDNMENRZRR-RIYZIHGNSA-N -1 0 366.200 3.858 50 0 FHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000013468162 220068292 /nfs/dbraw/zinc/06/82/92/220068292.db2.gz PIOMBFGYBHQXIW-IAGOWNOFSA-N -1 0 361.401 3.631 50 0 FHAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccc(Cl)s1)CC3 ZINC000014179074 220114034 /nfs/dbraw/zinc/11/40/34/220114034.db2.gz OAEHUHYXRYVLFS-VQHVLOKHSA-N -1 0 358.806 3.754 50 0 FHAARM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000016122071 220179087 /nfs/dbraw/zinc/17/90/87/220179087.db2.gz CWMKTOROJIIYJG-UHFFFAOYSA-N -1 0 352.843 3.735 50 0 FHAARM O=C([O-])c1ccc(/C=C2\CCn3c2nc2ccc(Cl)cc2c3=O)cc1 ZINC000016386442 220183633 /nfs/dbraw/zinc/18/36/33/220183633.db2.gz LSICDYYCQHVRDU-UKTHLTGXSA-N -1 0 352.777 3.692 50 0 FHAARM O=c1nc(CN(Cc2cccs2)C[C@@H]2CCCO2)[n-]c2ccsc21 ZINC000017307985 220212802 /nfs/dbraw/zinc/21/28/02/220212802.db2.gz ILXJLKCZGFGOHZ-LBPRGKRZSA-N -1 0 361.492 3.640 50 0 FHAARM CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000018254510 220230336 /nfs/dbraw/zinc/23/03/36/220230336.db2.gz QOFZLOCDHVPUSQ-UHFFFAOYSA-N -1 0 372.277 3.760 50 0 FHAARM COc1ccc(C([O-])=CS(=O)(=O)c2ccc3ccccc3c2)cc1OC ZINC000019850104 220301710 /nfs/dbraw/zinc/30/17/10/220301710.db2.gz YHTCRIMZYHXUJO-UHFFFAOYSA-N -1 0 370.426 3.514 50 0 FHAARM O=C([O-])c1cccc(CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1 ZINC000020375154 220324183 /nfs/dbraw/zinc/32/41/83/220324183.db2.gz DEWNZGHOWHPWGQ-UHFFFAOYSA-N -1 0 372.471 3.854 50 0 FHAARM COc1cc2c(cc1OC)-c1c(c(C(=O)[O-])nn1-c1ccccc1Cl)C2 ZINC000020738734 220340925 /nfs/dbraw/zinc/34/09/25/220340925.db2.gz AUBXIINRQFLZKR-UHFFFAOYSA-N -1 0 370.792 3.812 50 0 FHAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(F)cc2)N1C(=O)c1ccc(Cl)cc1 ZINC000035110291 220772813 /nfs/dbraw/zinc/77/28/13/220772813.db2.gz WOHVAZXZWUTCHL-HOCLYGCPSA-N -1 0 365.813 3.820 50 0 FHAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000035571344 220790095 /nfs/dbraw/zinc/79/00/95/220790095.db2.gz YEIKSWABWWUHCZ-NEPJUHHUSA-N -1 0 359.344 3.741 50 0 FHAARM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)c1 ZINC000048354465 221010465 /nfs/dbraw/zinc/01/04/65/221010465.db2.gz LMJHFWIKZIRTHV-UHFFFAOYSA-N -1 0 368.414 3.877 50 0 FHAARM Cc1cc(Br)c([O-])c(C(=O)Nc2nnc(C(C)C)s2)c1 ZINC000048733285 221015034 /nfs/dbraw/zinc/01/50/34/221015034.db2.gz WXIKEKUYBVMORI-UHFFFAOYSA-N -1 0 356.245 3.690 50 0 FHAARM O=C(CSc1nc(=O)c2sccc2[n-]1)Nc1ccc(F)cc1Cl ZINC000051317229 221034888 /nfs/dbraw/zinc/03/48/88/221034888.db2.gz RXMMHCMZLOEDFS-UHFFFAOYSA-N -1 0 369.830 3.508 50 0 FHAARM CCCC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000054500414 221054427 /nfs/dbraw/zinc/05/44/27/221054427.db2.gz KMLXRJBJPMGLHP-QWHCGFSZSA-N -1 0 364.829 3.684 50 0 FHAARM COc1ccc(NC(C)=O)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000057121867 221083898 /nfs/dbraw/zinc/08/38/98/221083898.db2.gz OICLBMIGAUUEOQ-UHFFFAOYSA-N -1 0 370.430 3.608 50 0 FHAARM O=C([O-])CCCC(=O)N1N=C(c2ccsc2)C[C@H]1c1ccc(F)cc1 ZINC000058161640 221100876 /nfs/dbraw/zinc/10/08/76/221100876.db2.gz HNNVNDYEEXQXGE-INIZCTEOSA-N -1 0 360.410 3.820 50 0 FHAARM CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1n[nH]c(=O)[n-]1 ZINC000058158302 221100901 /nfs/dbraw/zinc/10/09/01/221100901.db2.gz AYAOWUWLNJYTES-UHFFFAOYSA-N -1 0 357.241 3.506 50 0 FHAARM O=C1[N-]C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)N1 ZINC000059316136 221124917 /nfs/dbraw/zinc/12/49/17/221124917.db2.gz CCWPPDMBRSUFLA-SXGWCWSVSA-N -1 0 351.793 3.523 50 0 FHAARM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3cn(C)c(C)n3)ccc21 ZINC000060341818 221129186 /nfs/dbraw/zinc/12/91/86/221129186.db2.gz DFLQGOVELNALDZ-UHFFFAOYSA-N -1 0 368.462 3.657 50 0 FHAARM CCSc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)cn1 ZINC000058417479 221118648 /nfs/dbraw/zinc/11/86/48/221118648.db2.gz AZXLYTLMOWNYGO-UHFFFAOYSA-N -1 0 358.448 3.757 50 0 FHAARM O=C(c1ccc2c(c1)[n-]c(=S)[nH]c2=O)N(Cc1ccccc1)C1CC1 ZINC000063809495 221143315 /nfs/dbraw/zinc/14/33/15/221143315.db2.gz AZRNEOIFAHFBPN-UHFFFAOYSA-N -1 0 351.431 3.803 50 0 FHAARM COc1cc(-c2ccno2)ccc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000064979554 221160976 /nfs/dbraw/zinc/16/09/76/221160976.db2.gz PVDLMOWJZUOPDA-UHFFFAOYSA-N -1 0 358.419 3.768 50 0 FHAARM Cc1nnc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)s2)o1 ZINC000064920066 221155657 /nfs/dbraw/zinc/15/56/57/221155657.db2.gz PCANAEHRAVFONP-UHFFFAOYSA-N -1 0 373.818 3.700 50 0 FHAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3onc(C)c3C)o2)cc1 ZINC000064958542 221158182 /nfs/dbraw/zinc/15/81/82/221158182.db2.gz UJDPUIOJNPCFQB-UHFFFAOYSA-N -1 0 362.407 3.751 50 0 FHAARM CCc1nnc(-c2csc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)o1 ZINC000065098611 221169021 /nfs/dbraw/zinc/16/90/21/221169021.db2.gz GBCGCUWBWNNVPR-UHFFFAOYSA-N -1 0 369.855 3.815 50 0 FHAARM Cc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc(F)c(Cl)c3)[n-]2)cc1 ZINC000065133015 221171023 /nfs/dbraw/zinc/17/10/23/221171023.db2.gz VRLAHWOQVMYITE-UHFFFAOYSA-N -1 0 359.788 3.583 50 0 FHAARM Cc1ccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)C[C@@H](C)CC4)cc1 ZINC000065150454 221172631 /nfs/dbraw/zinc/17/26/31/221172631.db2.gz XSXNRVXWXYQKFB-NSHDSACASA-N -1 0 368.458 3.981 50 0 FHAARM O=C([O-])CSc1nnc(-c2ccco2)n1-c1ccccc1C(F)(F)F ZINC000065407531 221215020 /nfs/dbraw/zinc/21/50/20/221215020.db2.gz IKBSAKOXPOYCCG-UHFFFAOYSA-N -1 0 369.324 3.723 50 0 FHAARM O=C([O-])c1cn(-c2ccccc2Cl)c2c1NC(=O)C[C@H]2C(F)(F)F ZINC000066087675 221240615 /nfs/dbraw/zinc/24/06/15/221240615.db2.gz DVBBTZLDCZFNBM-MRVPVSSYSA-N -1 0 358.703 3.817 50 0 FHAARM CC(C)(C)OC(=O)N1CCC(n2c(=O)c3sccc3[n-]c2=S)CC1 ZINC000070460324 221332874 /nfs/dbraw/zinc/33/28/74/221332874.db2.gz SBVWLDAXUDKMFJ-UHFFFAOYSA-N -1 0 367.496 3.693 50 0 FHAARM CC1CCN(C(=O)c2ccc(NC(=O)CC3(C(=O)[O-])CCCC3)cc2)CC1 ZINC000071819496 221379578 /nfs/dbraw/zinc/37/95/78/221379578.db2.gz RPUKWOXMAAPLAO-UHFFFAOYSA-N -1 0 372.465 3.532 50 0 FHAARM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC000071817318 221379991 /nfs/dbraw/zinc/37/99/91/221379991.db2.gz BCWUBSLDZMPRGC-HNNXBMFYSA-N -1 0 372.465 3.675 50 0 FHAARM O=C([O-])CCCCCNC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000072401226 221494591 /nfs/dbraw/zinc/49/45/91/221494591.db2.gz ULZCDFIQFMQSND-UHFFFAOYSA-N -1 0 352.390 3.870 50 0 FHAARM O=S(=O)([N-]c1ccccc1N1CCCCC1)c1ccc(F)cc1F ZINC000003278725 132254312 /nfs/dbraw/zinc/25/43/12/132254312.db2.gz MFMDNZBGNDEGCE-UHFFFAOYSA-N -1 0 352.406 3.756 50 0 FHAARM O=C([O-])[C@@]1(C/C=C/c2ccccc2)CCCN(c2ncnc3c2CCC3)C1 ZINC000071576141 136139430 /nfs/dbraw/zinc/13/94/30/136139430.db2.gz IFYACYGMKKUWJF-XPUAEESYSA-N -1 0 363.461 3.740 50 0 FHAARM O=C([O-])[C@@]1(CCc2ccccc2)CCCN(c2cnc3ccccc3n2)C1 ZINC000071748615 136140077 /nfs/dbraw/zinc/14/00/77/136140077.db2.gz PWOKENGTZDWGGR-JOCHJYFZSA-N -1 0 361.445 3.934 50 0 FHAARM O=C([O-])[C@@]1(CCCc2ccccc2)CCCN(c2ncnc3[nH]ccc32)C1 ZINC000071756853 136140402 /nfs/dbraw/zinc/14/04/02/136140402.db2.gz CJUYAPYVARTYDA-NRFANRHFSA-N -1 0 364.449 3.652 50 0 FHAARM CC(=O)c1cc(C(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)cs1 ZINC000095369736 221870522 /nfs/dbraw/zinc/87/05/22/221870522.db2.gz JFNPPERKYSBOCZ-OAHLLOKOSA-N -1 0 357.431 3.669 50 0 FHAARM CCN(C(C)=O)c1nc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)cs1 ZINC000096809670 222131024 /nfs/dbraw/zinc/13/10/24/222131024.db2.gz WKYHQOLUOOKWGG-HJWRWDBZSA-N -1 0 367.430 3.933 50 0 FHAARM COc1cc(/C=C\C(=O)[O-])ccc1OCc1cn2cc(Cl)ccc2n1 ZINC000096925402 222140009 /nfs/dbraw/zinc/14/00/09/222140009.db2.gz GRLOKICVBLYGEC-CLTKARDFSA-N -1 0 358.781 3.673 50 0 FHAARM CCOC(=O)/C=C\c1ccc(NS(=O)(=O)c2cc(C)sc2C)cc1 ZINC000096930716 222142422 /nfs/dbraw/zinc/14/24/22/222142422.db2.gz XNULYKFRJBGBAK-YFHOEESVSA-N -1 0 365.476 3.742 50 0 FHAARM O=C([O-])C1CCN(C(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)CC1 ZINC000097017385 222150952 /nfs/dbraw/zinc/15/09/52/222150952.db2.gz NUOOXESXSVPSEK-CABCVRRESA-N -1 0 370.474 3.669 50 0 FHAARM COc1cc(C([O-])=CC(=O)CCC(=O)Nc2c(C)cccc2C)ccc1O ZINC000100721935 222250735 /nfs/dbraw/zinc/25/07/35/222250735.db2.gz DNZRDSZCATWRSP-UHFFFAOYSA-N -1 0 369.417 3.578 50 0 FHAARM Cc1cccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccccc3)c2=O)c1 ZINC000100761911 222252311 /nfs/dbraw/zinc/25/23/11/222252311.db2.gz GPRJNZRERUVOFB-UHFFFAOYSA-N -1 0 371.396 3.652 50 0 FHAARM O=C([O-])C1CCN(c2nc3ccc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000169676709 222567406 /nfs/dbraw/zinc/56/74/06/222567406.db2.gz HUGFDNKBGYMOFC-UHFFFAOYSA-N -1 0 357.410 3.798 50 0 FHAARM Cc1ccc(C(=O)N2[C@H](C(=O)[O-])CS[C@@H]2c2ccccc2Cl)cc1 ZINC000003620472 263330644 /nfs/dbraw/zinc/33/06/44/263330644.db2.gz BDCKQLQRWJGVHI-DOTOQJQBSA-N -1 0 361.850 3.989 50 0 FHAARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000007505235 263351912 /nfs/dbraw/zinc/35/19/12/263351912.db2.gz RWTMZGSAVBWKJM-UHFFFAOYSA-N -1 0 359.325 3.589 50 0 FHAARM O=C(Cc1cccc2ccccc21)Nn1c(=S)[n-]nc1-c1ccco1 ZINC000009647731 263362193 /nfs/dbraw/zinc/36/21/93/263362193.db2.gz VGVNLDKMFURAJG-UHFFFAOYSA-N -1 0 350.403 3.667 50 0 FHAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccccc1C ZINC000009646296 263362477 /nfs/dbraw/zinc/36/24/77/263362477.db2.gz MWLXFEWWVHCZPO-UHFFFAOYSA-N -1 0 361.444 3.797 50 0 FHAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000010301947 263364305 /nfs/dbraw/zinc/36/43/05/263364305.db2.gz XUEUJTUIZPSKSJ-UHFFFAOYSA-N -1 0 350.198 3.942 50 0 FHAARM Cc1ncccc1C(=O)N1C[C@@H]2C[C@@H](c3ccccc3)CC[C@]2(C(=O)[O-])C1 ZINC000426623116 263646119 /nfs/dbraw/zinc/64/61/19/263646119.db2.gz VMPSHQGQRCHELO-SPEDKVCISA-N -1 0 364.445 3.501 50 0 FHAARM O=C([O-])C1CCN(C(=O)c2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000238078427 518201324 /nfs/dbraw/zinc/20/13/24/518201324.db2.gz VSCZGLVCCOSUDN-UHFFFAOYSA-N -1 0 362.429 3.626 50 0 FHAARM COc1cc(/C=C\C(=O)c2ccc3c(c2)CCC3)ccc1OCC(=O)[O-] ZINC000096766120 521981142 /nfs/dbraw/zinc/98/11/42/521981142.db2.gz IEAHZFBSMKNJMX-UITAMQMPSA-N -1 0 352.386 3.543 50 0 FHAARM O=C([O-])[C@@H]1CCCN1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000262612436 526275631 /nfs/dbraw/zinc/27/56/31/526275631.db2.gz CEHHCQHWBOCYGC-ZDUSSCGKSA-N -1 0 356.369 3.878 50 0 FHAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c2ccccc21 ZINC000012291102 568085330 /nfs/dbraw/zinc/08/53/30/568085330.db2.gz WCXULEHTKZPGCJ-UHFFFAOYSA-N -1 0 355.415 3.736 50 0 FHAARM Cc1ccc(Cn2ncc3c2nc(-c2ccc(F)cc2)cc3C(=O)[O-])o1 ZINC000008391775 568310985 /nfs/dbraw/zinc/31/09/85/568310985.db2.gz VNNQYGJTMMFVIC-UHFFFAOYSA-N -1 0 351.337 3.885 50 0 FHAARM CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000024432921 568465254 /nfs/dbraw/zinc/46/52/54/568465254.db2.gz KWEULDRMIHMCPI-UHFFFAOYSA-N -1 0 351.399 3.622 50 0 FHAARM Cc1nc2cc(C(=O)N3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)ccc2s1 ZINC000092099147 570447335 /nfs/dbraw/zinc/44/73/35/570447335.db2.gz VBOHYVPUAMEVQA-JKSUJKDBSA-N -1 0 366.442 3.545 50 0 FHAARM CC(C)CCn1cc([C@@H](C(=O)[O-])N(C)Cc2ccnc3ccccc23)cn1 ZINC000095372386 570456560 /nfs/dbraw/zinc/45/65/60/570456560.db2.gz VDAKBQZAMYDPRT-FQEVSTJZSA-N -1 0 366.465 3.735 50 0 FHAARM Cn1ccc2ccc(C(=O)N3CCC[C@@H](c4ccc(C(=O)[O-])cc4)C3)cc21 ZINC000095377057 570457706 /nfs/dbraw/zinc/45/77/06/570457706.db2.gz QFBWLDDICZTEMK-LJQANCHMSA-N -1 0 362.429 3.896 50 0 FHAARM Cn1ccc2ccc(C(=O)N3CCC[C@H](c4ccc(C(=O)[O-])cc4)C3)cc21 ZINC000095377056 570457799 /nfs/dbraw/zinc/45/77/99/570457799.db2.gz QFBWLDDICZTEMK-IBGZPJMESA-N -1 0 362.429 3.896 50 0 FHAARM CC(=O)c1cc(-c2nc(C3CC3)nn2-c2ccccc2C(=O)[O-])cs1 ZINC000095502092 570463393 /nfs/dbraw/zinc/46/33/93/570463393.db2.gz CGINXIBKDXVIJE-UHFFFAOYSA-N -1 0 353.403 3.774 50 0 FHAARM COc1ccc(-c2cc3[n-]c(CN4CCC4(C)C)nc(=O)c3s2)cc1 ZINC000072308454 570521952 /nfs/dbraw/zinc/52/19/52/570521952.db2.gz ZPXDOFGGKIXCOE-UHFFFAOYSA-N -1 0 355.463 3.645 50 0 FHAARM O=c1c2cc(-c3ccccc3)sc2[n-]c(=S)n1Cc1cccnc1 ZINC000002522264 570523902 /nfs/dbraw/zinc/52/39/02/570523902.db2.gz FTJGVMMOQKHBRP-UHFFFAOYSA-N -1 0 351.456 3.857 50 0 FHAARM Cc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c(C(=O)OC(C)C)c1C ZINC000002744903 570529476 /nfs/dbraw/zinc/52/94/76/570529476.db2.gz KCJYPTXZGPVIKV-STQMWFEESA-N -1 0 367.467 3.760 50 0 FHAARM O=S(=O)([N-]c1ccc(Br)c(Cl)c1)c1cccs1 ZINC000002853852 570538049 /nfs/dbraw/zinc/53/80/49/570538049.db2.gz NMMXRXLIRQEIOH-UHFFFAOYSA-N -1 0 352.662 3.965 50 0 FHAARM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000237340173 570550296 /nfs/dbraw/zinc/55/02/96/570550296.db2.gz PHYPRELBAPWWCA-KBPBESRZSA-N -1 0 371.399 3.987 50 0 FHAARM CCCCCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2ccccc2N)N1 ZINC000004903180 570556769 /nfs/dbraw/zinc/55/67/69/570556769.db2.gz OWCFAHARQNKNMH-MRXNPFEDSA-N -1 0 357.376 3.692 50 0 FHAARM Cc1nn(Cc2c(Cl)cccc2Cl)c(SCC(=O)[O-])c1C=O ZINC000003319077 570559604 /nfs/dbraw/zinc/55/96/04/570559604.db2.gz VVOOIDAUVKRQRP-UHFFFAOYSA-N -1 0 359.234 3.536 50 0 FHAARM COc1ccc(-c2nc(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])cs2)cc1 ZINC000237460521 570559985 /nfs/dbraw/zinc/55/99/85/570559985.db2.gz HBIKQEJXWXFUFE-CQSZACIVSA-N -1 0 374.462 3.678 50 0 FHAARM CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000003956919 570572313 /nfs/dbraw/zinc/57/23/13/570572313.db2.gz IIBYAHWJQTYFKB-UHFFFAOYSA-N -1 0 361.825 3.555 50 0 world FHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3F)n2)C1 ZINC000237975026 570585199 /nfs/dbraw/zinc/58/51/99/570585199.db2.gz XFQLJESWXBHVKR-LBPRGKRZSA-N -1 0 362.426 3.666 50 0 FHAARM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1ccc(-c2ccon2)s1 ZINC000004334700 570585699 /nfs/dbraw/zinc/58/56/99/570585699.db2.gz FPNPAVBJLOXKRH-UHFFFAOYSA-N -1 0 372.374 3.805 50 0 FHAARM COc1cccc(C(=O)NCc2n[n-]c(=S)n2-c2cccc(Cl)c2)c1 ZINC000005128724 570587599 /nfs/dbraw/zinc/58/75/99/570587599.db2.gz YUSLENHEWXFUDE-UHFFFAOYSA-N -1 0 374.853 3.522 50 0 FHAARM CC1=C(C)C[C@H](C(=O)Nc2ccccc2Br)[C@H](C(=O)[O-])C1 ZINC000004651527 570598421 /nfs/dbraw/zinc/59/84/21/570598421.db2.gz GHBCAJPWQIFSMU-NWDGAFQWSA-N -1 0 352.228 3.835 50 0 FHAARM O=C([O-])[C@H](CNC(=O)[C@H]1C[C@H]1c1ccccc1Cl)c1ccc(F)cc1 ZINC000262808603 570624602 /nfs/dbraw/zinc/62/46/02/570624602.db2.gz DFLYOLMMAJLXLT-HRCADAONSA-N -1 0 361.800 3.567 50 0 FHAARM O=C([O-])c1ccccc1N1C(=O)c2cccc3c(Cl)ccc(c32)C1=O ZINC000005555491 570630696 /nfs/dbraw/zinc/63/06/96/570630696.db2.gz GYFUATDYSMTPDO-UHFFFAOYSA-N -1 0 351.745 3.992 50 0 FHAARM CCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(OC)nn3)cc2)cc1 ZINC000005204233 570633235 /nfs/dbraw/zinc/63/32/35/570633235.db2.gz GKLFERUQCLUKOO-UHFFFAOYSA-N -1 0 369.446 3.515 50 0 FHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000003360812 570660346 /nfs/dbraw/zinc/66/03/46/570660346.db2.gz CDVDRTCDGWUXHY-UHFFFAOYSA-N -1 0 370.268 3.957 50 0 FHAARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])nc1-c1ccc(F)cc1 ZINC000002738024 570668321 /nfs/dbraw/zinc/66/83/21/570668321.db2.gz XWJJYBAUSQFKSQ-KGLIPLIRSA-N -1 0 360.410 3.863 50 0 FHAARM O=S(=O)([N-]c1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(F)cc1 ZINC000002762650 570670079 /nfs/dbraw/zinc/67/00/79/570670079.db2.gz DZJYCJYDGYCDSV-UHFFFAOYSA-N -1 0 365.817 3.525 50 0 FHAARM O=C([O-])COc1ccc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)cc1 ZINC000008179759 570678176 /nfs/dbraw/zinc/67/81/76/570678176.db2.gz KFPDFEPNFUYICT-ODLFYWEKSA-N -1 0 373.364 3.648 50 0 FHAARM CCn1nc([N-]S(=O)(=O)c2ccccc2)c2cc3cccc(C)c3nc21 ZINC000009013790 570690949 /nfs/dbraw/zinc/69/09/49/570690949.db2.gz JXDAIOUFNKYYQB-UHFFFAOYSA-N -1 0 366.446 3.714 50 0 FHAARM O=C([O-])COc1ccc(/C=C2\SC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000012136858 570721221 /nfs/dbraw/zinc/72/12/21/570721221.db2.gz XJJTWSHVADOZAF-DHDCSXOGSA-N -1 0 373.361 3.530 50 0 FHAARM Cc1c(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)cccc1C(=O)[O-] ZINC000001159276 570763795 /nfs/dbraw/zinc/76/37/95/570763795.db2.gz VXJCQNAXRZHACY-UHFFFAOYSA-N -1 0 372.446 3.607 50 0 FHAARM CCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000003833326 570771858 /nfs/dbraw/zinc/77/18/58/570771858.db2.gz XOHQDFLOBOJAQE-UHFFFAOYSA-N -1 0 353.827 3.708 50 0 FHAARM CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000005252585 570775894 /nfs/dbraw/zinc/77/58/94/570775894.db2.gz PCSAOOZPLXKDSO-UHFFFAOYSA-N -1 0 359.856 3.687 50 0 FHAARM CCOc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)cc1 ZINC000047932754 570932447 /nfs/dbraw/zinc/93/24/47/570932447.db2.gz NGEPXGPBKJJNMB-LLVKDONJSA-N -1 0 369.446 3.888 50 0 FHAARM O=S(=O)([N-]c1cnc2ccccc2c1)c1ccc(OC(F)(F)F)cc1 ZINC000024839824 570983845 /nfs/dbraw/zinc/98/38/45/570983845.db2.gz VKQHTCBBQQPPLY-UHFFFAOYSA-N -1 0 368.336 3.934 50 0 FHAARM O=C([O-])CC1(CC(=O)Nc2cccc(N3CCCC3=O)c2)CCCCC1 ZINC000029010923 571035957 /nfs/dbraw/zinc/03/59/57/571035957.db2.gz LUMNCECBOWWGAG-UHFFFAOYSA-N -1 0 358.438 3.567 50 0 FHAARM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000029323699 571038414 /nfs/dbraw/zinc/03/84/14/571038414.db2.gz 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ZINC000040284082 571092952 /nfs/dbraw/zinc/09/29/52/571092952.db2.gz WFPUYZDCTCYPOB-CYBMUJFWSA-N -1 0 369.327 3.972 50 0 FHAARM CN1C(=O)S/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000004598985 571101584 /nfs/dbraw/zinc/10/15/84/571101584.db2.gz FGHHAGGOVYGTHS-MHWRWJLKSA-N -1 0 369.398 3.630 50 0 FHAARM Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1C(F)(F)F ZINC000010514373 571127825 /nfs/dbraw/zinc/12/78/25/571127825.db2.gz UMGAMVBROHIOOF-UHFFFAOYSA-N -1 0 359.325 3.513 50 0 FHAARM O=C([O-])c1ccccc1CC(=O)Nc1cc(-c2ccccc2Cl)[nH]n1 ZINC000072401521 571135060 /nfs/dbraw/zinc/13/50/60/571135060.db2.gz YBVWTXKIYSDNNY-UHFFFAOYSA-N -1 0 355.781 3.610 50 0 FHAARM O=c1oc2cc(OCc3nnn[n-]3)ccc2cc1-c1ccc2ccccc2c1 ZINC000006140623 571137495 /nfs/dbraw/zinc/13/74/95/571137495.db2.gz MANJFULHCFDPHD-UHFFFAOYSA-N -1 0 370.368 3.705 50 0 FHAARM CCSC1(CNC(=O)c2ccc3[n-]c(=S)oc3c2)CCOCC1 ZINC000073935905 571139142 /nfs/dbraw/zinc/13/91/42/571139142.db2.gz UUJPIGQQSITONF-UHFFFAOYSA-N -1 0 352.481 3.522 50 0 FHAARM CC(C)(C)OC(=O)NC[C@H](CC(=O)[O-])c1ccc(Br)s1 ZINC000685944156 571142249 /nfs/dbraw/zinc/14/22/49/571142249.db2.gz SAYKDYYTMHAZHY-QMMMGPOBSA-N -1 0 364.261 3.594 50 0 FHAARM O=C([O-])C[P@@](=O)(c1ccccc1)c1ccccc1OCc1ccccc1 ZINC000000659311 571165869 /nfs/dbraw/zinc/16/58/69/571165869.db2.gz ZLHZEOXXWGSWRO-AREMUKBSSA-N -1 0 366.353 3.664 50 0 FHAARM CCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CCC(=O)[O-] ZINC000005952023 571169365 /nfs/dbraw/zinc/16/93/65/571169365.db2.gz DRESPKIWRJNSOG-UHFFFAOYSA-N -1 0 361.419 3.785 50 0 FHAARM O=C([O-])c1cccc(CC2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 ZINC000072156699 571175026 /nfs/dbraw/zinc/17/50/26/571175026.db2.gz KNCGCYBPIOWVEE-UHFFFAOYSA-N -1 0 362.429 3.961 50 0 FHAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c(C)s2)no1 ZINC000035539143 571181136 /nfs/dbraw/zinc/18/11/36/571181136.db2.gz CESGTBBNMRUSKV-UHFFFAOYSA-N -1 0 363.464 3.833 50 0 FHAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C)cc1C)O[C@H](C)C2 ZINC000012560638 571182679 /nfs/dbraw/zinc/18/26/79/571182679.db2.gz IJYAZKJNWYCPQL-CQSZACIVSA-N -1 0 361.463 3.826 50 0 FHAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000006402449 571184248 /nfs/dbraw/zinc/18/42/48/571184248.db2.gz SIBIDPBYKKSKCA-WXDAQCLHSA-N -1 0 364.445 3.748 50 0 FHAARM O=C([O-])COc1cccc(-c2cc(NCc3cccnc3)nc3[nH]ccc32)c1 ZINC000072421343 571193173 /nfs/dbraw/zinc/19/31/73/571193173.db2.gz FFJHBNGARAMCDE-UHFFFAOYSA-N -1 0 374.400 3.700 50 0 FHAARM CCOc1ccccc1-c1noc(-c2c(=O)[nH]c3ccc(C)cc3c2[O-])n1 ZINC000075536698 571195486 /nfs/dbraw/zinc/19/54/86/571195486.db2.gz GWOJQLSVASHERW-UHFFFAOYSA-N -1 0 363.373 3.658 50 0 FHAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2cc(C)ccn2)c1=O ZINC000001898784 571199294 /nfs/dbraw/zinc/19/92/94/571199294.db2.gz ICOPHGIVWMBBNX-UHFFFAOYSA-N -1 0 365.433 3.853 50 0 FHAARM CCc1ccc2oc(-c3ccc(OC)cc3)c(O[C@@H](C)C(=O)[O-])c(=O)c2c1 ZINC000001987735 571203210 /nfs/dbraw/zinc/20/32/10/571203210.db2.gz CTMKFNNWVARUPV-LBPRGKRZSA-N -1 0 368.385 3.883 50 0 FHAARM COc1ccc(C(=O)[O-])nc1-c1ccccc1C(=O)N(C(C)C)C(C)C ZINC000534665384 571208367 /nfs/dbraw/zinc/20/83/67/571208367.db2.gz AMXDWCMSBUDAJA-UHFFFAOYSA-N -1 0 356.422 3.714 50 0 FHAARM O=C1CCCN1CCC1CCN(Cc2c(Cl)ccc([O-])c2Cl)CC1 ZINC000077518232 571214325 /nfs/dbraw/zinc/21/43/25/571214325.db2.gz QAVJBXVUAOPRTP-UHFFFAOYSA-N -1 0 371.308 3.924 50 0 FHAARM CCOCc1nc(=O)c2snc(-c3cccc(C(F)(F)F)c3)c2[n-]1 ZINC000585138582 571227439 /nfs/dbraw/zinc/22/74/39/571227439.db2.gz HYAIZHGLWDLWFK-UHFFFAOYSA-N -1 0 355.341 3.602 50 0 FHAARM Cc1ccc([C@H]2CCCCCN2C(=O)c2n[n-]c3ccccc3c2=O)o1 ZINC000151299649 571258229 /nfs/dbraw/zinc/25/82/29/571258229.db2.gz VMNLAPUZKATFSR-MRXNPFEDSA-N -1 0 351.406 3.582 50 0 FHAARM Cc1cccc([C@@H]2CC(c3ccsc3)=NN2C(=O)CCCC(=O)[O-])c1 ZINC000170091753 571262376 /nfs/dbraw/zinc/26/23/76/571262376.db2.gz CJIJDOYJWZXHPY-KRWDZBQOSA-N -1 0 356.447 3.989 50 0 FHAARM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccccc1 ZINC000007428316 571265579 /nfs/dbraw/zinc/26/55/79/571265579.db2.gz OBVAPOIQESOYPK-UHFFFAOYSA-N -1 0 361.444 3.879 50 0 FHAARM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nsc(-c2ccccc2)n1 ZINC000170609233 571267351 /nfs/dbraw/zinc/26/73/51/571267351.db2.gz YQDAWWIAYRHHOC-UHFFFAOYSA-N -1 0 365.867 3.968 50 0 FHAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000393033421 571277470 /nfs/dbraw/zinc/27/74/70/571277470.db2.gz DQRUYKHSKPAWJJ-UGFHNGPFSA-N -1 0 361.829 3.608 50 0 FHAARM CCCCCCn1c(=O)c(C(=O)Nc2nccs2)c([O-])c2ccccc21 ZINC000199833236 571292328 /nfs/dbraw/zinc/29/23/28/571292328.db2.gz CHWGTHBOXPDEIP-UHFFFAOYSA-N -1 0 371.462 3.996 50 0 FHAARM CCCCNC(=O)C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000003911981 571292956 /nfs/dbraw/zinc/29/29/56/571292956.db2.gz YWZCMCOQBQCMLU-UHFFFAOYSA-N -1 0 373.522 3.782 50 0 FHAARM O=C(c1ccccc1)c1ccc2c(c1[O-])[C@H](c1cccc(O)c1)CC(=O)O2 ZINC000253413447 571312413 /nfs/dbraw/zinc/31/24/13/571312413.db2.gz UUQBDRSYYVRGPX-KRWDZBQOSA-N -1 0 360.365 3.770 50 0 FHAARM O=C([O-])[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccccc1 ZINC000002315689 571317524 /nfs/dbraw/zinc/31/75/24/571317524.db2.gz HBUZMFKWRRHFNJ-CYBMUJFWSA-N -1 0 351.324 3.978 50 0 FHAARM CCCCC[C@@H](O)CC[C@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCC(=O)[O-] ZINC000027639709 571319317 /nfs/dbraw/zinc/31/93/17/571319317.db2.gz DPOINJQWXDTOSF-NTDBWNAOSA-N -1 0 356.503 3.699 50 0 FHAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2[C@H](O)C(C)C)cnc1Cl ZINC000095444498 571329759 /nfs/dbraw/zinc/32/97/59/571329759.db2.gz ABNQRXUOFYPISW-OAHLLOKOSA-N -1 0 354.859 3.534 50 0 FHAARM O=C(CCCn1c(=O)c2sccc2[n-]c1=S)Nc1ccc(F)cc1 ZINC000002925446 571341842 /nfs/dbraw/zinc/34/18/42/571341842.db2.gz KOTNTZHYDQTLGJ-UHFFFAOYSA-N -1 0 363.439 3.679 50 0 FHAARM Cc1ccc(NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)cc1F ZINC000002971871 571343143 /nfs/dbraw/zinc/34/31/43/571343143.db2.gz RPSONEXAIAUGSV-UHFFFAOYSA-N -1 0 357.410 3.535 50 0 FHAARM O=c1c2cc3c(cc2[n-]c(=S)n1CCc1ccccc1Cl)OCO3 ZINC000002974095 571343148 /nfs/dbraw/zinc/34/31/48/571343148.db2.gz JINNEULEIPPYHN-UHFFFAOYSA-N -1 0 360.822 3.684 50 0 FHAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000003328534 571347491 /nfs/dbraw/zinc/34/74/91/571347491.db2.gz RLPODBUNAWGRIS-UHFFFAOYSA-N -1 0 374.245 3.971 50 0 FHAARM Cc1ccc(-c2csc(NC(=O)COc3ccccc3C(=O)[O-])n2)cc1 ZINC000003329547 571347557 /nfs/dbraw/zinc/34/75/57/571347557.db2.gz BOSYNTSHRITNIT-UHFFFAOYSA-N -1 0 368.414 3.834 50 0 FHAARM CC1(C)CC(=O)c2ccc3c(c2O1)[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)O3 ZINC000217836299 571351068 /nfs/dbraw/zinc/35/10/68/571351068.db2.gz DFDRKQLRZUIJEW-AWEZNQCLSA-N -1 0 366.369 3.570 50 0 FHAARM O=C([O-])[C@@H](NC(=O)N(Cc1ccncc1)C1CCCCC1)c1ccccc1 ZINC000670469796 571359873 /nfs/dbraw/zinc/35/98/73/571359873.db2.gz SMWBWHWGRUITNT-IBGZPJMESA-N -1 0 367.449 3.752 50 0 FHAARM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC000263248814 600902785 /nfs/dbraw/zinc/90/27/85/600902785.db2.gz GVOCWLQFASSOCP-FZKQIMNGSA-N -1 0 357.381 3.512 50 0 FHAARM O=C([O-])Cc1cccc(NC(=O)c2ccccc2OCc2ccncc2)c1 ZINC000676211436 602078062 /nfs/dbraw/zinc/07/80/62/602078062.db2.gz SQIGOARQYDMVPN-UHFFFAOYSA-N -1 0 362.385 3.540 50 0 FHAARM O=C([O-])c1nc(C(=O)Nc2cc(Cl)ccc2Br)cs1 ZINC000227272596 938542660 /nfs/dbraw/zinc/54/26/60/938542660.db2.gz UNMNHQPEQRQKTP-UHFFFAOYSA-N -1 0 361.604 3.510 50 0 FHAARM Cc1conc1[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000188097667 939017875 /nfs/dbraw/zinc/01/78/75/939017875.db2.gz OCIQEJMNCPUPNN-UHFFFAOYSA-N -1 0 356.831 3.616 50 0 FHAARM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)N=c3ccc(C(F)(F)F)n[n-]3)C2)cc1 ZINC000332708199 945271608 /nfs/dbraw/zinc/27/16/08/945271608.db2.gz YETLHLVAXITUDM-GXTWGEPZSA-N -1 0 364.371 3.636 50 0 FHAARM O=S(=O)([N-]C[C@@H](c1ccsc1)c1ccco1)c1c(F)cccc1F ZINC000675007654 943589017 /nfs/dbraw/zinc/58/90/17/943589017.db2.gz DHKLFPVRHJWLPN-LBPRGKRZSA-N -1 0 369.414 3.730 50 0 FHAARM Cc1cc2oc(-c3ccccc3)c(-c3c(=O)cc(C)oc3[O-])c2c(=O)o1 ZINC000888089308 948039040 /nfs/dbraw/zinc/03/90/40/948039040.db2.gz 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219331066 /nfs/dbraw/zinc/33/10/66/219331066.db2.gz LVQQTDJOVUGDGX-UHFFFAOYSA-N -1 0 358.213 3.505 50 0 FHAARM O=C1[N-]C(=O)/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000000979845 219348775 /nfs/dbraw/zinc/34/87/75/219348775.db2.gz KKCFXBNENCBJDP-OVCLIPMQSA-N -1 0 363.200 3.753 50 0 FHAARM O=C([O-])[C@@H]1CS[C@H](c2ccccc2Cl)N1C(=O)c1ccccc1F ZINC000000974397 219349091 /nfs/dbraw/zinc/34/90/91/219349091.db2.gz IHTFQSGSXXUYSH-GOEBONIOSA-N -1 0 365.813 3.820 50 0 FHAARM Cc1ccc(N[C@@H]2SC(=O)N(Cc3cccc(C(=O)[O-])c3)C2=O)c(C)c1 ZINC000001018905 219354115 /nfs/dbraw/zinc/35/41/15/219354115.db2.gz KZDBISQQFGPXMJ-MRXNPFEDSA-N -1 0 370.430 3.635 50 0 FHAARM Cc1ccc([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)cc1 ZINC000001027981 219354748 /nfs/dbraw/zinc/35/47/48/219354748.db2.gz NKJRKAHQVZYWFW-UHFFFAOYSA-N -1 0 362.195 3.837 50 0 FHAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000001029065 219355058 /nfs/dbraw/zinc/35/50/58/219355058.db2.gz KRHGLEYNYMDZLW-UHFFFAOYSA-N -1 0 366.247 3.642 50 0 FHAARM CC(C)(C)c1ccc2c(c1)O[C@@]([N-]C(=O)C(F)(F)F)(C(F)(F)F)O2 ZINC000001050538 219359249 /nfs/dbraw/zinc/35/92/49/219359249.db2.gz HUYOBJNUMHLNBX-CQSZACIVSA-N -1 0 357.250 3.650 50 0 FHAARM COc1cc(OC)cc(-c2nnc(SCc3cccc(C(=O)[O-])c3)o2)c1 ZINC000001073158 219364304 /nfs/dbraw/zinc/36/43/04/219364304.db2.gz DJVAQDHVRRGQLI-UHFFFAOYSA-N -1 0 372.402 3.744 50 0 FHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000001158367 219383168 /nfs/dbraw/zinc/38/31/68/219383168.db2.gz OWBPWPIKLDSOEP-UHFFFAOYSA-N -1 0 356.241 3.567 50 0 FHAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000001199977 219388359 /nfs/dbraw/zinc/38/83/59/219388359.db2.gz XEYNCYLUBROHMJ-UHFFFAOYSA-N -1 0 366.247 3.642 50 0 FHAARM COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[O-])c(Cl)c3n2)cc1 ZINC000001212503 219389356 /nfs/dbraw/zinc/38/93/56/219389356.db2.gz PXFKPAKARMWEKM-UHFFFAOYSA-N -1 0 371.702 3.775 50 0 FHAARM COc1cc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)cc(OC)c1OC ZINC000001457193 219407437 /nfs/dbraw/zinc/40/74/37/219407437.db2.gz 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/nfs/dbraw/zinc/33/86/75/220338675.db2.gz XLYZKOYZYHMQEW-UHFFFAOYSA-N -1 0 359.234 3.630 50 0 FHAARM CCc1nc2sc([C@H](c3ccccc3F)N3CCCCC3)c([O-])n2n1 ZINC000022853049 220399948 /nfs/dbraw/zinc/39/99/48/220399948.db2.gz GOFNEOJCGXICBU-HNNXBMFYSA-N -1 0 360.458 3.773 50 0 FHAARM COc1ccc(-c2cc(C(F)F)nn2-c2nc(C(=O)[O-])cs2)cc1 ZINC000033435765 220742541 /nfs/dbraw/zinc/74/25/41/220742541.db2.gz VDGKXYQHWUCRKB-UHFFFAOYSA-N -1 0 351.334 3.640 50 0 FHAARM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000048355356 221010261 /nfs/dbraw/zinc/01/02/61/221010261.db2.gz MAGMDWRACKJOJQ-UHFFFAOYSA-N -1 0 358.872 3.859 50 0 FHAARM O=C([O-])c1cn(-c2cccc(F)c2)c2c1NC(=O)C[C@H]2c1cccs1 ZINC000049545059 221024830 /nfs/dbraw/zinc/02/48/30/221024830.db2.gz HEYQMCKOFBJVJE-LBPRGKRZSA-N -1 0 356.378 3.850 50 0 FHAARM CC(=O)NCc1ccc(-c2csc(-c3cccc(C(=O)[O-])c3)n2)s1 ZINC000058356094 221115607 /nfs/dbraw/zinc/11/56/07/221115607.db2.gz UIZDRGPUJIGSPS-UHFFFAOYSA-N -1 0 358.444 3.873 50 0 FHAARM COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000064979426 221160763 /nfs/dbraw/zinc/16/07/63/221160763.db2.gz QYVIKPLPIBYLLS-UHFFFAOYSA-N -1 0 362.382 3.599 50 0 FHAARM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3onc(C)c3C)o2)c1 ZINC000064958565 221158394 /nfs/dbraw/zinc/15/83/94/221158394.db2.gz DCRDRVJEQUOXBK-UHFFFAOYSA-N -1 0 360.391 3.555 50 0 FHAARM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)no2)cc1 ZINC000065153374 221173396 /nfs/dbraw/zinc/17/33/96/221173396.db2.gz MGKHXBUEMVRCMP-UHFFFAOYSA-N -1 0 357.435 3.835 50 0 FHAARM CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnc(C(C)C)o2)o1 ZINC000065246313 221187081 /nfs/dbraw/zinc/18/70/81/221187081.db2.gz LFKMDEUHEUAFEC-UHFFFAOYSA-N -1 0 361.423 3.816 50 0 FHAARM CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)o2)cc1 ZINC000065246375 221187376 /nfs/dbraw/zinc/18/73/76/221187376.db2.gz FDYHMAGHMJJEHH-UHFFFAOYSA-N -1 0 359.407 3.570 50 0 FHAARM CC(C)c1nc(CC(=O)N[C@@H](CC(=O)[O-])c2ccccc2Cl)cs1 ZINC000065593627 221234482 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O=C([O-])CCSCc1cccc(NC(=O)c2noc3c2CCCC3)c1 ZINC000095970663 221983402 /nfs/dbraw/zinc/98/34/02/221983402.db2.gz QNJQMIJXFGRCLW-UHFFFAOYSA-N -1 0 360.435 3.514 50 0 FHAARM O=C([O-])c1cc(NS(=O)(=O)/C=C\c2ccc(Cl)cc2)c(F)cc1F ZINC000096179266 222068396 /nfs/dbraw/zinc/06/83/96/222068396.db2.gz IHYMEMAGANNIDD-WAYWQWQTSA-N -1 0 373.764 3.729 50 0 FHAARM CCc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2cccc(C)c2C)n1 ZINC000096379783 222117554 /nfs/dbraw/zinc/11/75/54/222117554.db2.gz XPBNPQFMLCYFLV-UHFFFAOYSA-N -1 0 374.466 3.662 50 0 FHAARM COc1cccc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1 ZINC000096759345 222128606 /nfs/dbraw/zinc/12/86/06/222128606.db2.gz SBMPBBPDBPKCTK-RIYZIHGNSA-N -1 0 356.765 3.779 50 0 FHAARM COc1ccc(OCCCC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000096936598 222144114 /nfs/dbraw/zinc/14/41/14/222144114.db2.gz NLPNZMNWZCSIGL-MLPAPPSSSA-N -1 0 355.390 3.591 50 0 FHAARM CN(c1ccc(C(=O)[O-])cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000097141273 222164889 /nfs/dbraw/zinc/16/48/89/222164889.db2.gz WLXHQIUKXAWVJF-UHFFFAOYSA-N -1 0 360.218 3.517 50 0 FHAARM O=C([O-])CCc1ccc(OCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000097166012 222166574 /nfs/dbraw/zinc/16/65/74/222166574.db2.gz NMRPUPZOQUMFEN-UHFFFAOYSA-N -1 0 358.781 3.986 50 0 FHAARM CCCCn1c(=O)c(C(=O)Nc2nc(C)cs2)c([O-])c2ccccc21 ZINC000100537029 222246073 /nfs/dbraw/zinc/24/60/73/222246073.db2.gz MMTJZZJUWRAYDM-UHFFFAOYSA-N -1 0 357.435 3.524 50 0 FHAARM Cc1ccc(NC(=O)CCn2c(=O)c3ccc(Cl)cc3[n-]c2=S)cc1 ZINC000101496029 222276722 /nfs/dbraw/zinc/27/67/22/222276722.db2.gz KLRBYDJXJANFMP-UHFFFAOYSA-N -1 0 373.865 3.676 50 0 FHAARM C[C@@H]1CCCC[C@H]1NC(=O)CCCn1c(=O)c2sccc2[n-]c1=S ZINC000101611290 222279455 /nfs/dbraw/zinc/27/94/55/222279455.db2.gz OYDPYXOQZFRZMQ-VXGBXAGGSA-N -1 0 365.524 3.596 50 0 FHAARM Cc1ccc(NCc2cc(=O)n3nc(-c4cccs4)[n-]c3n2)cc1Cl ZINC000101842148 222285977 /nfs/dbraw/zinc/28/59/77/222285977.db2.gz MMPVQJNVDMUNKG-UHFFFAOYSA-N -1 0 371.853 3.720 50 0 FHAARM O=C([O-])c1ccccc1NC(=S)NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000002222014 263145038 /nfs/dbraw/zinc/14/50/38/263145038.db2.gz TXUIOQZDQZJSFB-JXMROGBWSA-N -1 0 360.822 3.565 50 0 FHAARM O=C([O-])CCCn1cc(NC(=O)c2sc3ccccc3c2Cl)cn1 ZINC000004502086 263333636 /nfs/dbraw/zinc/33/36/36/263333636.db2.gz FCVCYIHSMRGXBN-UHFFFAOYSA-N -1 0 363.826 3.868 50 0 FHAARM O=C([O-])C[C@H](Cc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000004618985 263334993 /nfs/dbraw/zinc/33/49/93/263334993.db2.gz CSKGFBGBSIVICU-ZDUSSCGKSA-N -1 0 367.323 3.857 50 0 FHAARM COc1cccc([C@@H]2CN(C(=O)c3cc(C(C)C)oc3C)C[C@H]2C(=O)[O-])c1 ZINC000091663499 524120290 /nfs/dbraw/zinc/12/02/90/524120290.db2.gz YHYZUCNBZKONHS-ZWKOTPCHSA-N -1 0 371.433 3.660 50 0 FHAARM C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@]2(O)CCC(=O)[O-] ZINC000252445502 525348920 /nfs/dbraw/zinc/34/89/20/525348920.db2.gz QIZQZYDEIVNNAA-IGUHIKQPSA-N -1 0 362.510 3.906 50 0 FHAARM CC(C)[C@H](NC(=O)c1ccc2ccn(Cc3ccccc3)c2c1)C(=O)[O-] ZINC000334161541 529109862 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Cc1[n-]n(-c2ccccc2)c2ncc(C(=O)Nc3cc(C)cc(C)c3)c(=O)c1-2 ZINC000007424065 571265377 /nfs/dbraw/zinc/26/53/77/571265377.db2.gz KYAFUYUJMCSTDC-UHFFFAOYSA-N -1 0 372.428 3.891 50 0 FHAARM Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)Nc3ccccc3C)c(=O)c12 ZINC000007424013 571265440 /nfs/dbraw/zinc/26/54/40/571265440.db2.gz JFVOZQKWDSYZHV-UHFFFAOYSA-N -1 0 358.401 3.583 50 0 FHAARM CCCCN1Cc2ccc([N-]S(=O)(=O)c3ccc(C)s3)cc2C1 ZINC000170609151 571267450 /nfs/dbraw/zinc/26/74/50/571267450.db2.gz BWCHFWVQDGDOSJ-UHFFFAOYSA-N -1 0 350.509 3.973 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccc(F)cc3)o2)cc1Cl ZINC000170617420 571268618 /nfs/dbraw/zinc/26/86/18/571268618.db2.gz CLLNLGSZUFGRQR-UHFFFAOYSA-N -1 0 367.789 3.638 50 0 FHAARM COc1ccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)cc1Cl ZINC000237281104 571277230 /nfs/dbraw/zinc/27/72/30/571277230.db2.gz IMAHXPFDGUFKKI-UHFFFAOYSA-N -1 0 359.809 3.547 50 0 FHAARM O=C([O-])c1c(NC(=O)c2ccc(Br)cc2)sc2c1CCC2 ZINC000002157576 571280840 /nfs/dbraw/zinc/28/08/40/571280840.db2.gz 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ZINC000002971476 571343121 /nfs/dbraw/zinc/34/31/21/571343121.db2.gz OCCCLIBELNXGFN-UHFFFAOYSA-N -1 0 353.447 3.705 50 0 FHAARM COc1cc2c(cc1OC)-c1c(c(C(=O)[O-])nn1-c1ccc(Cl)cc1)C2 ZINC000032089333 571355566 /nfs/dbraw/zinc/35/55/66/571355566.db2.gz GAMVGEDJEHSGOY-UHFFFAOYSA-N -1 0 370.792 3.812 50 0 FHAARM COc1ccc(-c2nc(SC)c(S(=O)(=O)c3ccc(C)cc3)[n-]2)cc1 ZINC000004135811 571355911 /nfs/dbraw/zinc/35/59/11/571355911.db2.gz FZRUYABUHNISGP-UHFFFAOYSA-N -1 0 374.487 3.948 50 0 FHAARM O=C1c2cccc3cccc(c32)C(=O)N1CCCCCc1n[n-]c(=S)o1 ZINC000004263656 571357328 /nfs/dbraw/zinc/35/73/28/571357328.db2.gz LRBIBIPTPWBFOJ-UHFFFAOYSA-N -1 0 367.430 3.521 50 0 FHAARM O=C([O-])c1cc2c(cc1NC(=O)c1c(F)cccc1Cl)OCCCO2 ZINC000007975034 571357758 /nfs/dbraw/zinc/35/77/58/571357758.db2.gz CQTGPIZTCKAKKF-UHFFFAOYSA-N -1 0 365.744 3.591 50 0 FHAARM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCC[C@@H](c2ccccc2)CC1 ZINC000175941523 930528806 /nfs/dbraw/zinc/52/88/06/930528806.db2.gz UTZRXOSEPXADMG-GOSISDBHSA-N -1 0 361.445 3.988 50 0 FHAARM Cc1cc(C2CC2)nc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)n1 ZINC000330045586 944331189 /nfs/dbraw/zinc/33/11/89/944331189.db2.gz GKGLNBFGMBJMAU-UHFFFAOYSA-N -1 0 364.279 3.832 50 0 FHAARM O=S(=O)([N-]c1cc(C2CCCC2)[nH]n1)c1ccccc1Br ZINC000126804292 948021039 /nfs/dbraw/zinc/02/10/39/948021039.db2.gz DHRUFPREXGZADY-UHFFFAOYSA-N -1 0 370.272 3.631 50 0 FHAARM O=S(=O)(/C=C\c1ccccc1Cl)[N-]c1noc(-c2cccs2)n1 ZINC000222198938 222730851 /nfs/dbraw/zinc/73/08/51/222730851.db2.gz JRDIAIFJFHRXIX-CLFYSBASSA-N -1 0 367.839 3.864 50 0 FHAARM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000000080799 219304684 /nfs/dbraw/zinc/30/46/84/219304684.db2.gz HCMTWVWSTHQKRG-IBGZPJMESA-N -1 0 350.418 3.792 50 0 FHAARM COc1cc(NC(=O)Nc2ccc(Cl)cc2)c(C(=O)[O-])cc1OC ZINC000000541894 219305339 /nfs/dbraw/zinc/30/53/39/219305339.db2.gz VQZFBWKOLMIVIH-UHFFFAOYSA-N -1 0 350.758 3.699 50 0 FHAARM O=C([O-])c1cccc(NC(=S)NC(=O)c2cccc3ccccc32)c1 ZINC000000309952 219305453 /nfs/dbraw/zinc/30/54/53/219305453.db2.gz QANNZEMDLGIHOT-UHFFFAOYSA-N -1 0 350.399 3.665 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000000640465 219308495 /nfs/dbraw/zinc/30/84/95/219308495.db2.gz SEQNQOIKZOJTKS-UHFFFAOYSA-N -1 0 356.234 3.979 50 0 FHAARM CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(C(=O)[O-])cc1 ZINC000000716964 219316041 /nfs/dbraw/zinc/31/60/41/219316041.db2.gz PIKVMEOACZZYBY-UHFFFAOYSA-N -1 0 366.373 3.862 50 0 biogenic FHAARM CCOc1ccc(NC(=O)[C@H](Cc2ccc(C)cc2)[C@@H](C)C(=O)[O-])cc1 ZINC000001017708 219354216 /nfs/dbraw/zinc/35/42/16/219354216.db2.gz LIYPMTXARPFBDR-DNVCBOLYSA-N -1 0 355.434 3.912 50 0 FHAARM COc1ccc(/C=C2/SC(=O)N(Cc3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000001018926 219354341 /nfs/dbraw/zinc/35/43/41/219354341.db2.gz ISBZCYWYYYAQNY-MHWRWJLKSA-N -1 0 369.398 3.630 50 0 FHAARM O=C([O-])CSCC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000001025574 219354438 /nfs/dbraw/zinc/35/44/38/219354438.db2.gz TUELXDWAUCCNCG-UHFFFAOYSA-N -1 0 358.444 3.720 50 0 FHAARM O=C([O-])c1cccc(NC(=S)NC(=O)Cc2cccc3ccccc32)c1 ZINC000001126135 219375929 /nfs/dbraw/zinc/37/59/29/219375929.db2.gz SZLDWIUJKWIRAL-UHFFFAOYSA-N -1 0 364.426 3.594 50 0 FHAARM CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000001133173 219376432 /nfs/dbraw/zinc/37/64/32/219376432.db2.gz JHEAJXFJGWLAPV-LBPRGKRZSA-N -1 0 372.446 3.689 50 0 FHAARM O=C([O-])c1cccc(NC(=S)NC(=O)c2cccc(Cl)c2Cl)c1 ZINC000001142137 219378931 /nfs/dbraw/zinc/37/89/31/219378931.db2.gz GAKWKDHQCKYOSL-UHFFFAOYSA-N -1 0 369.229 3.818 50 0 FHAARM Cn1c(=O)c(C(=O)Nc2cccc(Cl)c2Cl)c([O-])c2ccccc21 ZINC000001294278 219394134 /nfs/dbraw/zinc/39/41/34/219394134.db2.gz IVDXVUNIOQJMFV-UHFFFAOYSA-N -1 0 363.200 3.803 50 0 FHAARM O=C([O-])[C@H]1CC=CC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002583304 219449375 /nfs/dbraw/zinc/44/93/75/219449375.db2.gz WYVXOQUBSSBXKD-AZUAARDMSA-N -1 0 363.413 3.945 50 0 FHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000237962092 222912140 /nfs/dbraw/zinc/91/21/40/222912140.db2.gz FLRQTLQAJKFJCT-APHBMKBZSA-N -1 0 369.383 3.912 50 0 FHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC000238065341 222913301 /nfs/dbraw/zinc/91/33/01/222913301.db2.gz FFSUATYRIKBTKS-RBUKOAKNSA-N -1 0 367.420 3.574 50 0 FHAARM CCOc1ccc(NC(=O)C[C@@H](Cc2cc(C)cc(C)c2)C(=O)[O-])cc1 ZINC000003902919 219529382 /nfs/dbraw/zinc/52/93/82/219529382.db2.gz HBSVOULBHMSHKC-QGZVFWFLSA-N -1 0 355.434 3.974 50 0 FHAARM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)COc2ccccc2)cc1 ZINC000003626631 219523143 /nfs/dbraw/zinc/52/31/43/219523143.db2.gz RJVJJYBODFGGQX-GOSISDBHSA-N -1 0 355.434 3.695 50 0 FHAARM COc1ccc(COc2ccc3c(C)c(CC(=O)[O-])c(=O)oc3c2C)cc1 ZINC000004307163 219563721 /nfs/dbraw/zinc/56/37/21/219563721.db2.gz MSOBEMBLPMHQGS-UHFFFAOYSA-N -1 0 368.385 3.625 50 0 FHAARM Cc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000004641459 219592178 /nfs/dbraw/zinc/59/21/78/219592178.db2.gz GLXKIRZLTZWZTG-UHFFFAOYSA-N -1 0 359.325 3.513 50 0 FHAARM O=C([O-])C[C@@H](NC(=O)Cc1ccccc1)c1ccc(OC2CCCC2)cc1 ZINC000004689295 219595257 /nfs/dbraw/zinc/59/52/57/219595257.db2.gz BJAYOCMMKINQOD-HXUWFJFHSA-N -1 0 367.445 3.883 50 0 FHAARM Cc1ccc(-n2c3n[n-]c(=S)n3c3sc4c(c3c2=O)CCC4)cc1 ZINC000005601323 219691102 /nfs/dbraw/zinc/69/11/02/219691102.db2.gz IJWMNGVIDBEGCE-UHFFFAOYSA-N -1 0 354.460 3.555 50 0 FHAARM Cc1cc(C(=O)Nc2ccccc2C(=O)[O-])ccc1NC(=O)c1ccco1 ZINC000008190336 219851573 /nfs/dbraw/zinc/85/15/73/219851573.db2.gz QOFOSUNENKEDOT-UHFFFAOYSA-N -1 0 364.357 3.791 50 0 FHAARM Cc1cc([N-]S(=O)(=O)c2ccc(Sc3ccc(C)cc3)nc2)no1 ZINC000012728627 220022414 /nfs/dbraw/zinc/02/24/14/220022414.db2.gz OYCACEFGVXJUGN-UHFFFAOYSA-N -1 0 361.448 3.638 50 0 FHAARM COc1ccc(CNC(=O)Cc2c(Cl)cccc2Cl)cc1C(=O)[O-] ZINC000012775478 220028242 /nfs/dbraw/zinc/02/82/42/220028242.db2.gz JEVZTRLIHNSXLC-UHFFFAOYSA-N -1 0 368.216 3.559 50 0 FHAARM CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccccc1O ZINC000013124593 220058502 /nfs/dbraw/zinc/05/85/02/220058502.db2.gz XLDRCIRQXNSSNY-UHFFFAOYSA-N -1 0 368.462 3.710 50 0 FHAARM O=C([O-])C1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000013167346 220061467 /nfs/dbraw/zinc/06/14/67/220061467.db2.gz XHPMQEVQSTWTCB-UHFFFAOYSA-N -1 0 369.261 3.661 50 0 FHAARM Cc1cc(C)c2c(nn3c2nc(-c2ccc(Cl)cc2)cc3C(=O)[O-])n1 ZINC000013645376 220081055 /nfs/dbraw/zinc/08/10/55/220081055.db2.gz VZKVTNWOMJZHQX-UHFFFAOYSA-N -1 0 352.781 3.913 50 0 FHAARM CCn1c(SCc2ccc(C(=O)[O-])o2)nnc1-c1ccccc1OC ZINC000014092732 220105133 /nfs/dbraw/zinc/10/51/33/220105133.db2.gz IYJFKPRNTCHPSI-UHFFFAOYSA-N -1 0 359.407 3.557 50 0 FHAARM CCCCC[C@@H](O)CC[C@@H]1[C@@H](CCCCCCC(=O)[O-])C(=O)C[C@@H]1O ZINC000015111073 220147979 /nfs/dbraw/zinc/14/79/79/220147979.db2.gz DPOINJQWXDTOSF-MTNOOBJLSA-N -1 0 356.503 3.699 50 0 FHAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C/c1cccc(Cl)c1)CC3 ZINC000015352815 220152681 /nfs/dbraw/zinc/15/26/81/220152681.db2.gz MJEFMZTXJPHJAM-XYOKQWHBSA-N -1 0 352.777 3.692 50 0 FHAARM O=C([O-])CSc1nc2ccc(NC(=O)c3ccc(F)cc3)cc2s1 ZINC000015832855 220165990 /nfs/dbraw/zinc/16/59/90/220165990.db2.gz VLOKKHADAQDEPV-UHFFFAOYSA-N -1 0 362.407 3.864 50 0 FHAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000016482016 220185530 /nfs/dbraw/zinc/18/55/30/220185530.db2.gz CSXWEQJELIXMJJ-UHFFFAOYSA-N -1 0 357.435 3.892 50 0 FHAARM CCn1cc(Cn2c(=O)c3c4c(sc3[n-]c2=S)C[C@@H](C)CC4)c(C)n1 ZINC000017076689 220205771 /nfs/dbraw/zinc/20/57/71/220205771.db2.gz KVNVHCYYTXSYBI-JTQLQIEISA-N -1 0 374.535 3.819 50 0 FHAARM COc1ccc(-c2c/c(=N\[C@@H](C)C(=O)[O-])c3cc(C)ccc3o2)cc1OC ZINC000019911680 220305210 /nfs/dbraw/zinc/30/52/10/220305210.db2.gz DCGNPHYKMHEHGQ-UAHGDZPKSA-N -1 0 367.401 3.799 50 0 FHAARM Cc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(CC(=O)[O-])c3n2)s1 ZINC000020604483 220335403 /nfs/dbraw/zinc/33/54/03/220335403.db2.gz XRNVVICQAPSSCU-UHFFFAOYSA-N -1 0 355.341 3.880 50 0 FHAARM Cc1nn2c(nc(-c3cccc(OC(F)F)c3)cc2C(=O)[O-])c1Cl ZINC000020616926 220335874 /nfs/dbraw/zinc/33/58/74/220335874.db2.gz RQCBLPFXCKIJGJ-UHFFFAOYSA-N -1 0 353.712 3.658 50 0 FHAARM COc1ccc2c(c1)cc(C[P@](=O)([O-])CCc1ccccc1)c(=O)n2C ZINC000020724042 220338753 /nfs/dbraw/zinc/33/87/53/220338753.db2.gz FALCVCHTELPYED-UHFFFAOYSA-N -1 0 371.373 3.560 50 0 FHAARM O=c1c2cc(Cl)cc(F)c2[n-]cc1S(=O)(=O)c1ccc(F)cc1 ZINC000021657595 220362542 /nfs/dbraw/zinc/36/25/42/220362542.db2.gz ZVLXATAZAKFSOM-UHFFFAOYSA-N -1 0 355.749 3.705 50 0 FHAARM CCc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c2)no1 ZINC000021702115 220363619 /nfs/dbraw/zinc/36/36/19/220363619.db2.gz VTQAKSLKICMKFO-UHFFFAOYSA-N -1 0 367.427 3.609 50 0 FHAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)no1 ZINC000021701608 220363912 /nfs/dbraw/zinc/36/39/12/220363912.db2.gz CQIKZAQSJJGYNZ-UHFFFAOYSA-N -1 0 355.828 3.561 50 0 FHAARM [O-]c1c([C@H](c2cccs2)N2CCc3ccccc3C2)sc2ncnn12 ZINC000022610229 220390592 /nfs/dbraw/zinc/39/05/92/220390592.db2.gz ZGKJJZDDKOXPKV-HNNXBMFYSA-N -1 0 368.487 3.706 50 0 FHAARM O=C([O-])c1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)cc1 ZINC000036354099 220813307 /nfs/dbraw/zinc/81/33/07/220813307.db2.gz KDZNANVEPBTBBE-HNNXBMFYSA-N -1 0 367.792 3.698 50 0 FHAARM CCC(CC)(CC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)[O-] ZINC000036732720 220827603 /nfs/dbraw/zinc/82/76/03/220827603.db2.gz DQEXPKIMPHKZJG-UHFFFAOYSA-N -1 0 366.845 3.686 50 0 FHAARM COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)cc1F ZINC000040108636 220881721 /nfs/dbraw/zinc/88/17/21/220881721.db2.gz CEADTNLZMGZATL-VIFPVBQESA-N -1 0 373.409 3.637 50 0 FHAARM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000048354263 221009960 /nfs/dbraw/zinc/00/99/60/221009960.db2.gz ILFNYLRFFVJXHO-UHFFFAOYSA-N -1 0 356.806 3.547 50 0 FHAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)cs2)cc1 ZINC000049547224 221024504 /nfs/dbraw/zinc/02/45/04/221024504.db2.gz WFGMXXAZWFFQJG-UHFFFAOYSA-N -1 0 350.421 3.521 50 0 FHAARM CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CC(=O)[O-])c1ccccc1O2 ZINC000051943393 221036845 /nfs/dbraw/zinc/03/68/45/221036845.db2.gz LYCHAPYFHHUAFB-CQSZACIVSA-N -1 0 361.438 3.797 50 0 FHAARM Cc1nc2cc(NC(=O)c3csc([N-]c4ncccn4)n3)ccc2s1 ZINC000049032248 221017966 /nfs/dbraw/zinc/01/79/66/221017966.db2.gz LZUOYZJJRWQTFU-UHFFFAOYSA-N -1 0 368.447 3.847 50 0 FHAARM CCCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000054500408 221054253 /nfs/dbraw/zinc/05/42/53/221054253.db2.gz KMLXRJBJPMGLHP-OLZOCXBDSA-N -1 0 364.829 3.684 50 0 FHAARM CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000055679619 221073489 /nfs/dbraw/zinc/07/34/89/221073489.db2.gz BZPKCYRBMMWWPC-UHFFFAOYSA-N -1 0 353.465 3.587 50 0 FHAARM O=C([O-])CCC(=O)N1N=C(c2ccsc2)C[C@@H]1c1ccccc1Cl ZINC000058161663 221100804 /nfs/dbraw/zinc/10/08/04/221100804.db2.gz QXNJXKAHOSCRHU-OAHLLOKOSA-N -1 0 362.838 3.944 50 0 FHAARM CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000058190392 221104470 /nfs/dbraw/zinc/10/44/70/221104470.db2.gz ULVCBVYPXSRNHG-UHFFFAOYSA-N -1 0 364.776 3.624 50 0 FHAARM CC(C)c1nnc(SCc2noc(-c3ccccc3O)n2)n1C1CC1 ZINC000058202781 221106156 /nfs/dbraw/zinc/10/61/56/221106156.db2.gz XGOKXTPPDFJSSR-UHFFFAOYSA-N -1 0 357.439 3.784 50 0 FHAARM O=C([O-])c1cn(-c2cc(F)cc(F)c2)c2c1NC(=O)C[C@H]2c1ccsc1 ZINC000061718895 221134294 /nfs/dbraw/zinc/13/42/94/221134294.db2.gz MGHVNLNPCUCJAQ-ZDUSSCGKSA-N -1 0 374.368 3.989 50 0 FHAARM O=C([O-])c1cn(-c2cc(F)cc(F)c2)c2c1NC(=O)C[C@H]2c1cccs1 ZINC000061718590 221134835 /nfs/dbraw/zinc/13/48/35/221134835.db2.gz PLWWEUDIAUWKLK-LBPRGKRZSA-N -1 0 374.368 3.989 50 0 FHAARM O=C(Nc1cccc(-c2cnco2)c1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000063810945 221142968 /nfs/dbraw/zinc/14/29/68/221142968.db2.gz ZSDIVIFJQYYVOU-UHFFFAOYSA-N -1 0 364.386 3.905 50 0 FHAARM C[C@@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1nc2ccccc2[n-]1 ZINC000063861105 221143641 /nfs/dbraw/zinc/14/36/41/221143641.db2.gz JTOXSAISUNKCSI-JTQLQIEISA-N -1 0 370.352 3.996 50 0 FHAARM COc1ccccc1[N-]S(=O)(=O)c1cn(CC(C)C)c2ncccc12 ZINC000065242288 221185832 /nfs/dbraw/zinc/18/58/32/221185832.db2.gz JHWSENHRACVEKG-UHFFFAOYSA-N -1 0 359.451 3.502 50 0 FHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2ccno2)s1 ZINC000065031156 221165195 /nfs/dbraw/zinc/16/51/95/221165195.db2.gz OORBFUWCZQTVCT-UHFFFAOYSA-N -1 0 350.421 3.603 50 0 FHAARM C[C@@H]1CCc2c(sc3[nH]c(=O)c(C(=O)Nc4ccccc4)c([O-])c23)C1 ZINC000065150411 221172527 /nfs/dbraw/zinc/17/25/27/221172527.db2.gz ITLVPQOMLKEGQY-SNVBAGLBSA-N -1 0 354.431 3.672 50 0 FHAARM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)o2)c1 ZINC000065246326 221187007 /nfs/dbraw/zinc/18/70/07/221187007.db2.gz QRGMGNHCHWYWQJ-UHFFFAOYSA-N -1 0 359.407 3.625 50 0 FHAARM Cc1cc2c(cc1NC(=O)C(C)C)NC(=O)C[C@@H]2c1ccc(C(=O)[O-])s1 ZINC000065463379 221222960 /nfs/dbraw/zinc/22/29/60/221222960.db2.gz WKVRFAXBEHHATB-LBPRGKRZSA-N -1 0 372.446 3.823 50 0 FHAARM Cc1c(C(=O)[O-])sc2[nH]c(-c3cccc(C(F)(F)F)c3)nc(=O)c12 ZINC000065475847 221224018 /nfs/dbraw/zinc/22/40/18/221224018.db2.gz ZKAJLJHZFFXLDQ-UHFFFAOYSA-N -1 0 354.309 3.677 50 0 FHAARM CC(C)C[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1ccccc1 ZINC000065626931 221235386 /nfs/dbraw/zinc/23/53/86/221235386.db2.gz XJZPWIMXOMXHBO-MRXNPFEDSA-N -1 0 367.474 3.729 50 0 FHAARM CCc1ccc(OCCS(=O)(=O)[N-]c2cc(Cl)ccc2OC)cc1 ZINC000070637871 221333295 /nfs/dbraw/zinc/33/32/95/221333295.db2.gz LBBAYNIQNMHSCQ-UHFFFAOYSA-N -1 0 369.870 3.732 50 0 FHAARM Cc1c(C(=O)NC2(C(=O)[O-])CCCCC2)sc2nc(C3CC3)nc(C)c12 ZINC000071802781 221377245 /nfs/dbraw/zinc/37/72/45/221377245.db2.gz LYDGKEPODKLICY-UHFFFAOYSA-N -1 0 373.478 3.703 50 0 FHAARM COc1cccc(F)c1C(=O)N1CCC(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000072144457 221423245 /nfs/dbraw/zinc/42/32/45/221423245.db2.gz CDNZWVULITWQAL-UHFFFAOYSA-N -1 0 371.408 3.627 50 0 FHAARM O=c1c(-c2ccccc2)c([O-])n(-c2ccccc2)c(=O)n1-c1ccccc1 ZINC000001041033 132379728 /nfs/dbraw/zinc/37/97/28/132379728.db2.gz WZQPYEJQKDEYJQ-UHFFFAOYSA-N -1 0 356.381 3.970 50 0 FHAARM O=C([O-])c1cc(NCc2c(F)cccc2Cl)ccc1N1CCOCC1 ZINC000002354403 132383335 /nfs/dbraw/zinc/38/33/35/132383335.db2.gz CGTLEMRCROZFBQ-UHFFFAOYSA-N -1 0 364.804 3.626 50 0 FHAARM COc1cccc(C[C@]2(C(=O)[O-])CCCN(c3nccc4occc43)C2)c1 ZINC000071639305 136139682 /nfs/dbraw/zinc/13/96/82/136139682.db2.gz YJMFJGXQXHKMCC-OAQYLSRUSA-N -1 0 366.417 3.750 50 0 FHAARM CCc1cc(N2CCC[C@@](Cc3cccc(Cl)c3)(C(=O)[O-])C2)ncn1 ZINC000071747305 136140081 /nfs/dbraw/zinc/14/00/81/136140081.db2.gz VRPSKVRCQXZQQO-IBGZPJMESA-N -1 0 359.857 3.606 50 0 FHAARM O=C([O-])c1nn(-c2ccccc2)cc1/C=C/c1nnc(-c2ccccc2)o1 ZINC000096306088 222113148 /nfs/dbraw/zinc/11/31/48/222113148.db2.gz HTCZOXCFJXOMGF-VAWYXSNFSA-N -1 0 358.357 3.791 50 0 FHAARM Cc1nn(CCC(=O)[O-])c(C)c1/C=C\C(=O)c1cccc(C(F)(F)F)c1 ZINC000096316182 222115488 /nfs/dbraw/zinc/11/54/88/222115488.db2.gz KDLMJDGGTKQNMV-SREVYHEPSA-N -1 0 366.339 3.890 50 0 FHAARM CCc1nnc(-c2[nH]c(C)c(S(=O)(=O)[N-]c3cccc(CC)c3)c2C)o1 ZINC000096379440 222117187 /nfs/dbraw/zinc/11/71/87/222117187.db2.gz ZIYBKEPULCXUQX-UHFFFAOYSA-N -1 0 374.466 3.607 50 0 FHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1-c1nnc(C2CC2)o1 ZINC000096379660 222117452 /nfs/dbraw/zinc/11/74/52/222117452.db2.gz LSTLKJFSIUGKCQ-UHFFFAOYSA-N -1 0 372.450 3.668 50 0 FHAARM O=C(NCc1ccccc1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000101251958 222266071 /nfs/dbraw/zinc/26/60/71/222266071.db2.gz LZMNZSAXPCNNHF-UHFFFAOYSA-N -1 0 370.408 3.626 50 0 FHAARM O=c1c2c3c(c[nH]c-2nn1-c1ccccc1)C(=O)C[C@H](c1ccccc1)C3 ZINC000100130350 222235459 /nfs/dbraw/zinc/23/54/59/222235459.db2.gz FBLFVABZKQPNEV-OAHLLOKOSA-N -1 0 355.397 3.627 50 0 FHAARM COc1ccc(-c2cc(=O)n(-c3nc4ccccc4s3)[n-]2)cc1OC ZINC000100134586 222236327 /nfs/dbraw/zinc/23/63/27/222236327.db2.gz PHLFNSMIMFBDBJ-UHFFFAOYSA-N -1 0 353.403 3.872 50 0 FHAARM C[C@H]1C(=O)Nc2ccc(C(=O)CSc3n[nH]c(-c4cccs4)n3)cc21 ZINC000103319433 222333915 /nfs/dbraw/zinc/33/39/15/222333915.db2.gz KBIGTUWRIALFOU-SECBINFHSA-N -1 0 370.459 3.564 50 0 FHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(C)c4C)c=3c2=O)cc1Cl ZINC000101398580 222272610 /nfs/dbraw/zinc/27/26/10/222272610.db2.gz SNNHXFJWNCLNET-SJORKVTESA-N -1 0 368.824 3.763 50 0 FHAARM Cc1ccc(Cc2c(C)nc3[n-]c(CNc4cccc(C)c4)nn3c2=O)cc1 ZINC000101802956 222285037 /nfs/dbraw/zinc/28/50/37/222285037.db2.gz YQVSOSHGAOJOTB-UHFFFAOYSA-N -1 0 373.460 3.546 50 0 FHAARM Cc1ccc(Cl)cc1NCc1cc(=O)n2nc(-c3cccs3)[n-]c2n1 ZINC000101842054 222285171 /nfs/dbraw/zinc/28/51/71/222285171.db2.gz GXSSEBXSALDCAW-UHFFFAOYSA-N -1 0 371.853 3.720 50 0 FHAARM Cc1csc(-n2[n-]c(C)c(CCC(=O)Nc3ccc(C)c(C)c3)c2=O)n1 ZINC000101832741 222286029 /nfs/dbraw/zinc/28/60/29/222286029.db2.gz IKZVRWJGTGWLLU-UHFFFAOYSA-N -1 0 370.478 3.839 50 0 FHAARM O=C(CSc1nc(=O)cc([O-])n1C1CCCC1)c1ccc2c(c1)CCC2 ZINC000103038973 222320175 /nfs/dbraw/zinc/32/01/75/222320175.db2.gz FQSIQJXRSVNOLQ-UHFFFAOYSA-N -1 0 370.474 3.528 50 0 FHAARM C[C@H]1SC[C@@H](C(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002583060 263145395 /nfs/dbraw/zinc/14/53/95/263145395.db2.gz WFCIGOQMPVAAGQ-XIKOKIGWSA-N -1 0 369.442 3.784 50 0 FHAARM CC(C)(C)c1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000004616764 263335210 /nfs/dbraw/zinc/33/52/10/263335210.db2.gz LYIHEGQUMJOGRH-LJQANCHMSA-N -1 0 364.445 3.891 50 0 FHAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000009646292 263361900 /nfs/dbraw/zinc/36/19/00/263361900.db2.gz MFVIVPBLIIGGKE-UHFFFAOYSA-N -1 0 361.444 3.797 50 0 FHAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000009646329 263362216 /nfs/dbraw/zinc/36/22/16/263362216.db2.gz DEOKSUOUHFDCRP-UHFFFAOYSA-N -1 0 365.407 3.628 50 0 FHAARM CCOC(=O)c1ccc([N-]c2nc(-c3cc(OC)ccc3OC)no2)cc1 ZINC000020996795 521523553 /nfs/dbraw/zinc/52/35/53/521523553.db2.gz SLBRJQIXKUYOFO-UHFFFAOYSA-N -1 0 369.377 3.674 50 0 FHAARM O=C([O-])c1cc(Br)c(OCC(F)(F)F)nc1C(F)(F)F ZINC000215765160 568087748 /nfs/dbraw/zinc/08/77/48/568087748.db2.gz CBLFAJZVUTVLKR-UHFFFAOYSA-N -1 0 368.027 3.502 50 0 FHAARM O=S1(=O)[N-]C(SCc2cccc(F)c2)=Nc2ccc(Cl)cc21 ZINC000012361104 568386233 /nfs/dbraw/zinc/38/62/33/568386233.db2.gz XBWNWRAKENEQNQ-UHFFFAOYSA-N -1 0 356.831 3.883 50 0 FHAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000000627297 570439875 /nfs/dbraw/zinc/43/98/75/570439875.db2.gz ALFBLQJAAFEFCE-CVEARBPZSA-N -1 0 372.465 3.579 50 0 FHAARM O=C([O-])c1ccc(CSc2nnnn2-c2cccc3ccccc32)cc1 ZINC000000679632 570448189 /nfs/dbraw/zinc/44/81/89/570448189.db2.gz GJTOUDCUNLVDCJ-UHFFFAOYSA-N -1 0 362.414 3.806 50 0 FHAARM Cc1[nH]c2c(c1CC(=O)N(C)[C@@H](C(=O)[O-])c1cccs1)c(C)ccc2C ZINC000095523750 570467943 /nfs/dbraw/zinc/46/79/43/570467943.db2.gz VUQRVUZVNGCWGQ-LJQANCHMSA-N -1 0 370.474 3.981 50 0 FHAARM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1cccc(OC(C)C)c1 ZINC000001158420 570485369 /nfs/dbraw/zinc/48/53/69/570485369.db2.gz YYPAPIGQHSRFDQ-UHFFFAOYSA-N -1 0 372.446 3.607 50 0 FHAARM Cc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000002571890 570525347 /nfs/dbraw/zinc/52/53/47/570525347.db2.gz SIBYHJVDFRKDDV-AWEZNQCLSA-N -1 0 353.484 3.985 50 0 FHAARM Cc1c(C(=O)[O-])sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC000002657856 570527033 /nfs/dbraw/zinc/52/70/33/570527033.db2.gz RJMDXFZYQNDCER-UHFFFAOYSA-N -1 0 360.460 3.900 50 0 FHAARM O=S1(=O)C(=C([O-])c2ccccc2)[C@@H](c2ccccc2)N1c1ccccc1 ZINC000005488568 570529354 /nfs/dbraw/zinc/52/93/54/570529354.db2.gz FRDSSBNETAPDAZ-TZIWHRDSSA-N -1 0 363.438 3.829 50 0 FHAARM Cc1c(NC(=O)c2cccc(NC(=O)c3ccco3)c2)cccc1C(=O)[O-] ZINC000002837077 570535157 /nfs/dbraw/zinc/53/51/57/570535157.db2.gz RUZIHVWLILZLJQ-UHFFFAOYSA-N -1 0 364.357 3.791 50 0 FHAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000002871308 570541258 /nfs/dbraw/zinc/54/12/58/570541258.db2.gz NBPVEPRWIGOOTG-UHFFFAOYSA-N -1 0 370.268 3.957 50 0 FHAARM O=C([O-])COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl ZINC000003805798 570568017 /nfs/dbraw/zinc/56/80/17/570568017.db2.gz MNIPYSSQXLZQLJ-UHFFFAOYSA-N -1 0 354.189 3.907 50 0 world FHAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2ccc(Br)cc2)C1 ZINC000004313800 570584375 /nfs/dbraw/zinc/58/43/75/570584375.db2.gz XAZMYHWJZOAHHV-KGLIPLIRSA-N -1 0 352.228 3.835 50 0 FHAARM O=C([O-])CCC(=O)Nc1ccc(Oc2c(Cl)cccc2Cl)nc1 ZINC000004334864 570585683 /nfs/dbraw/zinc/58/56/83/570585683.db2.gz FVFSNVYWTARGNS-UHFFFAOYSA-N -1 0 355.177 3.984 50 0 FHAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cnc(-c2ccccc2F)s1 ZINC000237997076 570586031 /nfs/dbraw/zinc/58/60/31/570586031.db2.gz WIMGPNYBUDPQDC-GFCCVEGCSA-N -1 0 362.426 3.809 50 0 FHAARM O=C([O-])c1cc(NC(=S)NC(=O)c2cccc(Cl)c2)ccc1Cl ZINC000004603210 570597805 /nfs/dbraw/zinc/59/78/05/570597805.db2.gz UZKMUBMNGXLYKX-UHFFFAOYSA-N -1 0 369.229 3.818 50 0 FHAARM CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000004663656 570599210 /nfs/dbraw/zinc/59/92/10/570599210.db2.gz IWCCLFNWEDBSTP-UHFFFAOYSA-N -1 0 372.446 3.691 50 0 FHAARM CSc1nnc([N-]C(=O)c2cc(-c3ccc(C)c(F)c3)on2)s1 ZINC000011916897 570602604 /nfs/dbraw/zinc/60/26/04/570602604.db2.gz JPBMIDJIJXVWMA-UHFFFAOYSA-N -1 0 350.400 3.615 50 0 FHAARM COCc1ccc([C@@H]2CCCN2C(=O)c2ccc3[n-]c(=S)oc3c2)o1 ZINC000137463500 570625391 /nfs/dbraw/zinc/62/53/91/570625391.db2.gz JZJHLIPSSNAGHN-AWEZNQCLSA-N -1 0 358.419 3.833 50 0 FHAARM CCOc1ccc(-c2cccc(NS(=O)(=O)c3cccc(C)c3)c2)nn1 ZINC000005204266 570633164 /nfs/dbraw/zinc/63/31/64/570633164.db2.gz PLZIYUFHCQZJQJ-UHFFFAOYSA-N -1 0 369.446 3.652 50 0 FHAARM Cc1ccc(CN2C(=O)S/C(=C\c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000006009194 570640137 /nfs/dbraw/zinc/64/01/37/570640137.db2.gz GOUNDEQWHCEWNU-YBEGLDIGSA-N -1 0 353.399 3.930 50 0 FHAARM COc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000041095686 570641930 /nfs/dbraw/zinc/64/19/30/570641930.db2.gz VFAMPMXHFBYWAP-UHFFFAOYSA-N -1 0 354.859 3.976 50 0 FHAARM O=C1C([O-])=C(c2cccnc2)C(=C(O)c2cccc(F)c2)N1c1ccccc1 ZINC000136517828 570662115 /nfs/dbraw/zinc/66/21/15/570662115.db2.gz UIWLFQWRZVFZHT-IBGZPJMESA-N -1 0 374.371 3.788 50 0 FHAARM CCc1nc2sc([C@@H](c3ccccc3F)N3CCCCC3)c([O-])n2n1 ZINC000022853052 570694813 /nfs/dbraw/zinc/69/48/13/570694813.db2.gz GOFNEOJCGXICBU-OAHLLOKOSA-N -1 0 360.458 3.773 50 0 FHAARM Cc1[n-]n2c(nc3c(c2=O)CCCC3)c1-c1ccc(Br)cc1 ZINC000009419639 570695397 /nfs/dbraw/zinc/69/53/97/570695397.db2.gz CCXRGKPWAQZQGC-UHFFFAOYSA-N -1 0 358.239 3.639 50 0 FHAARM CCc1nc2sc([C@@H](c3ccco3)N3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000022854020 570695232 /nfs/dbraw/zinc/69/52/32/570695232.db2.gz WEYKRRMZTFAVNK-TYNCELHUSA-N -1 0 360.483 3.719 50 0 FHAARM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)cc1Cl ZINC000032585663 570749122 /nfs/dbraw/zinc/74/91/22/570749122.db2.gz FCULRWRBDNUKTQ-UHFFFAOYSA-N -1 0 362.234 3.811 50 0 FHAARM CC(C)n1nnnc1SCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000012916434 570766994 /nfs/dbraw/zinc/76/69/94/570766994.db2.gz SCFBWFQAEKZLRA-UHFFFAOYSA-N -1 0 352.416 3.598 50 0 FHAARM Cc1n[nH]c(SC(=Cc2ccccc2OCc2ccccc2)C(=O)[O-])n1 ZINC000008272361 570794568 /nfs/dbraw/zinc/79/45/68/570794568.db2.gz DOAFYOMCGBIBHZ-BOPFTXTBSA-N -1 0 367.430 3.910 50 0 FHAARM Cc1cccc(NCc2nn3c([n-]2)nc(C)c(Cc2ccccc2)c3=O)c1C ZINC000101802818 570824231 /nfs/dbraw/zinc/82/42/31/570824231.db2.gz PFCNYMIOGKJRKG-UHFFFAOYSA-N -1 0 373.460 3.546 50 0 FHAARM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cccnc1Cl ZINC000032905357 570843652 /nfs/dbraw/zinc/84/36/52/570843652.db2.gz ZOQJJBPFPFEIPB-UHFFFAOYSA-N -1 0 361.648 3.607 50 0 FHAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000032906718 570844061 /nfs/dbraw/zinc/84/40/61/570844061.db2.gz LPNOJYIDAVWRAW-UHFFFAOYSA-N -1 0 353.415 3.732 50 0 FHAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1N(C)c1ccccc1 ZINC000047251562 570883752 /nfs/dbraw/zinc/88/37/52/570883752.db2.gz WPMIPEBMZCDLOC-UHFFFAOYSA-N -1 0 357.435 3.860 50 0 FHAARM CCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)[O-])cc2)cc1OCC ZINC000012082634 570889458 /nfs/dbraw/zinc/88/94/58/570889458.db2.gz URBCBFHEAVNZRI-WUXMJOGZSA-N -1 0 355.390 3.834 50 0 FHAARM CC(=O)Nc1cc(C(=O)CSc2nccn2-c2ccccc2)ccc1[O-] ZINC000026128313 571002916 /nfs/dbraw/zinc/00/29/16/571002916.db2.gz XUQXVSJKRQCEGI-UHFFFAOYSA-N -1 0 367.430 3.511 50 0 FHAARM COc1cc(S(=O)(=O)Nc2ccc(C)cc2C)ccc1Br ZINC000032601949 571058632 /nfs/dbraw/zinc/05/86/32/571058632.db2.gz CXPDPFCJFLEFNA-UHFFFAOYSA-N -1 0 370.268 3.875 50 0 FHAARM Cc1nn(Cc2ccccc2C)c(C)c1[N-]S(=O)(=O)c1cccs1 ZINC000002808165 571065918 /nfs/dbraw/zinc/06/59/18/571065918.db2.gz ONLRGFKHERLNBS-UHFFFAOYSA-N -1 0 361.492 3.719 50 0 FHAARM Cc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C(=O)c2ccccc2)c1 ZINC000001050142 571069335 /nfs/dbraw/zinc/06/93/35/571069335.db2.gz PMOZITUTVPUJGO-SJORKVTESA-N -1 0 363.413 3.832 50 0 FHAARM CCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC000001430706 571075125 /nfs/dbraw/zinc/07/51/25/571075125.db2.gz RJMQTBXMYJNOTL-UHFFFAOYSA-N -1 0 359.451 3.886 50 0 FHAARM O=C(NCC1(c2ccccc2)CCC1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000040108665 571078523 /nfs/dbraw/zinc/07/85/23/571078523.db2.gz HXYPTCIYNUAFRT-UHFFFAOYSA-N -1 0 365.458 3.850 50 0 FHAARM O=C([O-])C[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000001436072 571091370 /nfs/dbraw/zinc/09/13/70/571091370.db2.gz NOVFSLBJPZLTLZ-AWEZNQCLSA-N -1 0 351.402 3.732 50 0 FHAARM O=C([O-])[C@@H]1CCCC[C@H]1CC(=O)c1cccc(I)c1 ZINC000043879408 571101168 /nfs/dbraw/zinc/10/11/68/571101168.db2.gz KRBZJRBTKJYOEH-GXFFZTMASA-N -1 0 372.202 3.755 50 0 FHAARM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000237657289 571106219 /nfs/dbraw/zinc/10/62/19/571106219.db2.gz ZSJXOYCOKCWVEK-JLTOFOAXSA-N -1 0 350.418 3.679 50 0 FHAARM CC(C)(C)n1nc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc1C1CC1 ZINC000069950348 571106278 /nfs/dbraw/zinc/10/62/78/571106278.db2.gz ONTFQHNEAQYYSK-UHFFFAOYSA-N -1 0 367.409 3.523 50 0 FHAARM O=C([O-])[C@@H]1CS[C@H](c2ccc(F)cc2)N1C(=O)c1ccc(Cl)cc1 ZINC000035110288 571116741 /nfs/dbraw/zinc/11/67/41/571116741.db2.gz WOHVAZXZWUTCHL-GOEBONIOSA-N -1 0 365.813 3.820 50 0 FHAARM O=S(=O)([N-]c1ccccc1)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000085664798 571124078 /nfs/dbraw/zinc/12/40/78/571124078.db2.gz DTJKMFKCMLLZPA-UHFFFAOYSA-N -1 0 373.381 3.958 50 0 FHAARM CCOC(=O)c1c([N-]S(=O)(=O)c2ccccc2)sc2c1CCCC2 ZINC000001512955 571127060 /nfs/dbraw/zinc/12/70/60/571127060.db2.gz CBQRZBXNKYYYEB-UHFFFAOYSA-N -1 0 365.476 3.604 50 0 FHAARM O=C([O-])c1cc2c(c(-c3cc(=O)c4cc(Cl)ccc4o3)c1)OCOC2 ZINC000001516510 571127987 /nfs/dbraw/zinc/12/79/87/571127987.db2.gz ZLBJMRATBMXJGU-UHFFFAOYSA-N -1 0 358.733 3.678 50 0 biogenic FHAARM O=C([O-])CCCNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000072401041 571134818 /nfs/dbraw/zinc/13/48/18/571134818.db2.gz WEPUJYGLOQBJOH-UHFFFAOYSA-N -1 0 352.365 3.636 50 0 FHAARM C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)[O-])CC[C@@]43C)[C@@H]1CCC2=O ZINC000004096458 571140671 /nfs/dbraw/zinc/14/06/71/571140671.db2.gz CZWCKYRVOZZJNM-USOAJAOKSA-N -1 0 368.495 3.706 50 0 endogenous,world FHAARM CCN(C)c1ccc(/C=C2/C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc1 ZINC000208016078 571141749 /nfs/dbraw/zinc/14/17/49/571141749.db2.gz ZFVGECUCVZXBDE-XDHOZWIPSA-N -1 0 363.417 3.647 50 0 FHAARM CC/N=C1/S/C(=C/c2ccc(-c3ccccc3C(=O)[O-])o2)C(=O)N1CC ZINC000106593850 571143533 /nfs/dbraw/zinc/14/35/33/571143533.db2.gz RTHXJVOHIQUBEZ-KERPIWHLSA-N -1 0 370.430 3.957 50 0 FHAARM O=C([O-])CC1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000521396598 571147339 /nfs/dbraw/zinc/14/73/39/571147339.db2.gz NCRJFSYKAMMNSS-UHFFFAOYSA-N -1 0 351.402 3.780 50 0 FHAARM O=S(=O)([N-]Cc1nc(C2CCCCC2)cs1)c1c(F)cccc1F ZINC000575413967 571147924 /nfs/dbraw/zinc/14/79/24/571147924.db2.gz AKVCXBGMQXUBTB-UHFFFAOYSA-N -1 0 372.462 3.948 50 0 FHAARM O=S(=O)([N-]c1ccc2[nH]c(C3CCCCC3)nc2c1)c1cccnc1 ZINC000075107935 571155602 /nfs/dbraw/zinc/15/56/02/571155602.db2.gz LKKLNMDZNMOXBI-UHFFFAOYSA-N -1 0 356.451 3.806 50 0 FHAARM CC(=O)Oc1ccc(-c2csc(Nc3ccc(C(=O)[O-])c(O)c3)n2)cc1 ZINC000004711778 571168015 /nfs/dbraw/zinc/16/80/15/571168015.db2.gz KWGGQVVXDVACPR-UHFFFAOYSA-N -1 0 370.386 3.883 50 0 FHAARM CCCn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)c([O-])c2ccccc21 ZINC000005904445 571168066 /nfs/dbraw/zinc/16/80/66/571168066.db2.gz MOBMMKNTXXZPBB-UHFFFAOYSA-N -1 0 370.836 3.701 50 0 FHAARM COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000006315357 571177416 /nfs/dbraw/zinc/17/74/16/571177416.db2.gz PGSODUDWYNRTKX-UHFFFAOYSA-N -1 0 362.451 3.578 50 0 FHAARM Cc1sc(-c2ccno2)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000075436516 571178831 /nfs/dbraw/zinc/17/88/31/571178831.db2.gz BNUVASKWMAWIMD-UHFFFAOYSA-N -1 0 356.375 3.791 50 0 FHAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)c(C)s2)no1 ZINC000035539032 571181110 /nfs/dbraw/zinc/18/11/10/571181110.db2.gz PIFWJMKEPILQIN-UHFFFAOYSA-N -1 0 369.855 3.869 50 0 FHAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C)cc1C)O[C@@H](C)C2 ZINC000012560640 571182704 /nfs/dbraw/zinc/18/27/04/571182704.db2.gz IJYAZKJNWYCPQL-AWEZNQCLSA-N -1 0 361.463 3.826 50 0 FHAARM O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000003893741 571188522 /nfs/dbraw/zinc/18/85/22/571188522.db2.gz QWFOTGYKIXAPED-QGZVFWFLSA-N -1 0 356.809 3.883 50 0 FHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC000004741061 571230035 /nfs/dbraw/zinc/23/00/35/571230035.db2.gz CSCXMCJRSRADKU-UHFFFAOYSA-N -1 0 361.341 3.523 50 0 FHAARM Cc1ccc(C2=NO[C@@](CC(=O)[O-])(C(=O)Nc3c(C)cccc3C)C2)cc1 ZINC000006756634 571245238 /nfs/dbraw/zinc/24/52/38/571245238.db2.gz HJZSELUCFYHAGH-NRFANRHFSA-N -1 0 366.417 3.588 50 0 FHAARM O=C([O-])c1ccc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)cc1 ZINC000036354097 571249532 /nfs/dbraw/zinc/24/95/32/571249532.db2.gz KDZNANVEPBTBBE-OAHLLOKOSA-N -1 0 367.792 3.698 50 0 FHAARM COc1cccc([N-]S(=O)(=O)c2ccc(-c3cnc(C)o3)s2)c1 ZINC000065003745 571250032 /nfs/dbraw/zinc/25/00/32/571250032.db2.gz LGXYADBYSHITNT-UHFFFAOYSA-N -1 0 350.421 3.521 50 0 FHAARM O=c1nc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)[n-]c2ccsc21 ZINC000036386213 571251289 /nfs/dbraw/zinc/25/12/89/571251289.db2.gz MHMZQRDOPCSUAY-AWEZNQCLSA-N -1 0 369.446 3.505 50 0 FHAARM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)s2)c1 ZINC000006887785 571253335 /nfs/dbraw/zinc/25/33/35/571253335.db2.gz YMQPEWCAKBIUCC-UHFFFAOYSA-N -1 0 362.432 3.715 50 0 FHAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)s2)cc1 ZINC000006887776 571253366 /nfs/dbraw/zinc/25/33/66/571253366.db2.gz PBKMQFXOBZGLNC-UHFFFAOYSA-N -1 0 364.448 3.911 50 0 FHAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(COc3c(Cl)cccc3Cl)o2)N1 ZINC000036612347 571257920 /nfs/dbraw/zinc/25/79/20/571257920.db2.gz TZRQVNAOFSMRFZ-FZMZJTMJSA-N -1 0 374.245 3.954 50 0 FHAARM Cc1c2cc(F)ccc2oc1[C@H](C)NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000170044184 571261092 /nfs/dbraw/zinc/26/10/92/571261092.db2.gz NRICPXOBDHQBGN-LBPRGKRZSA-N -1 0 371.364 3.835 50 0 FHAARM Cc1ccc2[nH]cc(CCC(=O)N3CCc4ccccc4[C@H]3C(=O)[O-])c2c1 ZINC000170066444 571261621 /nfs/dbraw/zinc/26/16/21/571261621.db2.gz MMINHQGLHLZSBO-NRFANRHFSA-N -1 0 362.429 3.620 50 0 FHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000007402537 571265175 /nfs/dbraw/zinc/26/51/75/571265175.db2.gz BCRIKIHRQKOMIQ-UHFFFAOYSA-N -1 0 350.198 3.942 50 0 FHAARM O=C([O-])c1cc(C(=O)Nc2ccc(COCc3ccccc3)cc2)ccn1 ZINC000238182155 571277433 /nfs/dbraw/zinc/27/74/33/571277433.db2.gz HKNONXGHWMSHMC-UHFFFAOYSA-N -1 0 362.385 3.749 50 0 FHAARM COCCCN1C(=O)S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C1=O ZINC000002144242 571280703 /nfs/dbraw/zinc/28/07/03/571280703.db2.gz KKTJRHBFCPZZHR-XFFZJAGNSA-N -1 0 362.234 3.772 50 0 FHAARM COc1ccccc1COc1ccc2c(C)c(CCC(=O)[O-])c(=O)oc2c1 ZINC000002145418 571280655 /nfs/dbraw/zinc/28/06/55/571280655.db2.gz FZHPRLXSPFNHRX-UHFFFAOYSA-N -1 0 368.385 3.706 50 0 biogenic FHAARM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)cc1 ZINC000007726632 571287127 /nfs/dbraw/zinc/28/71/27/571287127.db2.gz OPPPOCMZEVEJLJ-UHFFFAOYSA-N -1 0 372.490 3.912 50 0 FHAARM CCCCCn1c(=O)c(C(=O)Nc2ncc(C)s2)c([O-])c2ccccc21 ZINC000002271440 571294379 /nfs/dbraw/zinc/29/43/79/571294379.db2.gz PDQLFKUHFIZEAH-UHFFFAOYSA-N -1 0 371.462 3.915 50 0 FHAARM CCCCC[C@@H](O)CC[C@H]1[C@H](O)CC(=O)[C@H]1CCCCCCC(=O)[O-] ZINC000027639714 571319309 /nfs/dbraw/zinc/31/93/09/571319309.db2.gz DPOINJQWXDTOSF-SFNKJDCFSA-N -1 0 356.503 3.699 50 0 FHAARM CN1CCCc2ccc(S(=O)(=O)[N-]c3ccnn3C3CCCCC3)cc21 ZINC000079061510 571326780 /nfs/dbraw/zinc/32/67/80/571326780.db2.gz PRBUWVLIOFJNOX-UHFFFAOYSA-N -1 0 374.510 3.572 50 0 FHAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2[C@@H](O)C(C)C)cnc1Cl ZINC000095444499 571329775 /nfs/dbraw/zinc/32/97/75/571329775.db2.gz ABNQRXUOFYPISW-HNNXBMFYSA-N -1 0 354.859 3.534 50 0 FHAARM Cc1c(-c2ccccc2)sc2[nH]c(-c3cc(C(=O)[O-])n(C)c3)nc(=O)c12 ZINC000096008342 571333903 /nfs/dbraw/zinc/33/39/03/571333903.db2.gz OSECBPUMSWTGMV-UHFFFAOYSA-N -1 0 365.414 3.664 50 0 FHAARM Cc1sc2ncnc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2c1C ZINC000002622156 571339359 /nfs/dbraw/zinc/33/93/59/571339359.db2.gz MFWYENUYAAPTSE-UHFFFAOYSA-N -1 0 353.856 3.762 50 0 FHAARM O=C([O-])CCn1c2ccccc2nc1SCCOc1ccccc1F ZINC000002914778 571341660 /nfs/dbraw/zinc/34/16/60/571341660.db2.gz KDJQNRBTQUVLJM-UHFFFAOYSA-N -1 0 360.410 3.821 50 0 FHAARM O=C(CCCn1c(=O)c2ccccc2[n-]c1=S)NCCC1=CCCCC1 ZINC000002971414 571343150 /nfs/dbraw/zinc/34/31/50/571343150.db2.gz LCMXMAUCGDGIAY-UHFFFAOYSA-N -1 0 371.506 3.846 50 0 FHAARM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1ccc(F)c(F)c1F ZINC000003422994 571349437 /nfs/dbraw/zinc/34/94/37/571349437.db2.gz HMBMODMEZPCGPF-UHFFFAOYSA-N -1 0 353.268 3.506 50 0 FHAARM CC[C@]1(C)C[C@](CCNC(=O)CCC(=O)[O-])(c2ccc(C)cc2)CCO1 ZINC000004028939 571354249 /nfs/dbraw/zinc/35/42/49/571354249.db2.gz JBKSUNPCAFGEPO-NHCUHLMSSA-N -1 0 361.482 3.583 50 0 biogenic FHAARM CCCc1c(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cnn1-c1ccccc1 ZINC000563692215 597728844 /nfs/dbraw/zinc/72/88/44/597728844.db2.gz RJWXYMADSZWATK-HNNXBMFYSA-N -1 0 370.453 3.543 50 0 FHAARM Cc1cc2oc(-c3ccc(O)cc3)c(-c3c([O-])oc(C)cc3=O)c2c(=O)o1 ZINC000888090262 948076112 /nfs/dbraw/zinc/07/61/12/948076112.db2.gz OOULWSBZOSWUOY-UHFFFAOYSA-N -1 0 366.325 3.701 50 0 FHAARM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000000683187 219313194 /nfs/dbraw/zinc/31/31/94/219313194.db2.gz BODGYWOILNVQRF-UHFFFAOYSA-N -1 0 361.463 3.962 50 0 FHAARM Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3F)C2)cc1 ZINC000000710131 219316196 /nfs/dbraw/zinc/31/61/96/219316196.db2.gz NZZFIPVRNJBOGW-SFHVURJKSA-N -1 0 354.381 3.677 50 0 FHAARM CCOc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1OCc1cccc(C)c1 ZINC000000807753 219324218 /nfs/dbraw/zinc/32/42/18/219324218.db2.gz WGTNRVFHDJIHAW-VQIMIIECSA-N -1 0 373.474 3.761 50 0 FHAARM COc1ccc(-c2csc(Nc3ccc(C(=O)[O-])c(O)c3)n2)cc1OC ZINC000000813378 219324327 /nfs/dbraw/zinc/32/43/27/219324327.db2.gz ACSUQBWMYGZMRB-UHFFFAOYSA-N -1 0 372.402 3.975 50 0 FHAARM O=C(Oc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000000829899 219327622 /nfs/dbraw/zinc/32/76/22/219327622.db2.gz RGYMARLUXRMYEN-UHFFFAOYSA-N -1 0 353.399 3.707 50 0 FHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)Nc2cccc3ccccc32)c1 ZINC000001032433 219354821 /nfs/dbraw/zinc/35/48/21/219354821.db2.gz WJWLQQOUWFWOPN-UHFFFAOYSA-N -1 0 370.430 3.983 50 0 FHAARM Cc1ccc(N2[N-]C(=O)/C(=C\c3cccc(Br)c3)C2=O)cc1C ZINC000001059631 219360330 /nfs/dbraw/zinc/36/03/30/219360330.db2.gz LCTYFISFRSQCJU-MHWRWJLKSA-N -1 0 371.234 3.527 50 0 FHAARM CC(=O)Nc1cccc(-c2csc(Nc3ccc(C(=O)[O-])c(O)c3)n2)c1 ZINC000001122862 219373577 /nfs/dbraw/zinc/37/35/77/219373577.db2.gz NUZXMSFVCBWCLX-UHFFFAOYSA-N -1 0 369.402 3.916 50 0 FHAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccccc1)N1CCCCCC1 ZINC000001145238 219380614 /nfs/dbraw/zinc/38/06/14/219380614.db2.gz SEFKWMDYONXJBG-UHFFFAOYSA-N -1 0 358.463 3.504 50 0 FHAARM CCc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2OC)cc1 ZINC000001158359 219383101 /nfs/dbraw/zinc/38/31/01/219383101.db2.gz TYJGLZHKBDBVOT-UHFFFAOYSA-N -1 0 370.268 3.821 50 0 FHAARM Cc1cc(C(=O)Nc2ccccc2C(=O)[O-])ccc1NC(=O)CC(C)C ZINC000001216993 219390840 /nfs/dbraw/zinc/39/08/40/219390840.db2.gz QPWBGVYRRFIFCO-UHFFFAOYSA-N -1 0 354.406 3.930 50 0 FHAARM Cc1ccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2cccs2)cc1 ZINC000001254740 219392460 /nfs/dbraw/zinc/39/24/60/219392460.db2.gz NCLDZXLYVRGXHU-UHFFFAOYSA-N -1 0 361.426 3.817 50 0 FHAARM CCCn1c2ccccc2c([O-])c(C(=O)Nc2cc(C)ccc2C)c1=O ZINC000001302168 219393938 /nfs/dbraw/zinc/39/39/38/219393938.db2.gz ZEXMXKPQLCVOSD-UHFFFAOYSA-N -1 0 350.418 3.986 50 0 FHAARM CC(C)[C@@H](NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)[O-] ZINC000225465891 222844334 /nfs/dbraw/zinc/84/43/34/222844334.db2.gz IECHFMFSHHXDBR-GFCCVEGCSA-N -1 0 372.368 3.668 50 0 FHAARM CCCOC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CC[C@@H](C)C2 ZINC000002093204 219425832 /nfs/dbraw/zinc/42/58/32/219425832.db2.gz IVOSGOWGDLVJLZ-LLVKDONJSA-N -1 0 367.467 3.633 50 0 FHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2cccs2)C1 ZINC000237966639 222912791 /nfs/dbraw/zinc/91/27/91/222912791.db2.gz MEKZVUPJHQONGM-AWEZNQCLSA-N -1 0 371.458 3.696 50 0 FHAARM O=C([O-])c1ccc(C(=O)Nc2ccc(COCc3ccccc3)cc2)o1 ZINC000238046565 222913820 /nfs/dbraw/zinc/91/38/20/222913820.db2.gz LTEJJVHACFSNLJ-UHFFFAOYSA-N -1 0 351.358 3.947 50 0 FHAARM COc1cccc(Cl)c1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237265370 222906536 /nfs/dbraw/zinc/90/65/36/222906536.db2.gz IZRQUHKJRHRQLW-UHFFFAOYSA-N -1 0 373.836 3.607 50 0 FHAARM CCOC(=O)c1cc(C(C)C)sc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000002765937 219463579 /nfs/dbraw/zinc/46/35/79/219463579.db2.gz UEKYJAMFVJOBET-NEPJUHHUSA-N -1 0 367.467 3.878 50 0 FHAARM CCCCOc1ccc(C(=O)N/C(=C/c2ccc(OC)cc2)C(=O)[O-])cc1 ZINC000002892009 219474021 /nfs/dbraw/zinc/47/40/21/219474021.db2.gz XPAZTNZYESZVHR-XMHGGMMESA-N -1 0 369.417 3.730 50 0 FHAARM CC(C)CCOc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000003082501 219486999 /nfs/dbraw/zinc/48/69/99/219486999.db2.gz PNHISQISUCOKPP-UHFFFAOYSA-N -1 0 371.462 3.856 50 0 FHAARM COc1ccc(Cl)cc1NC(=O)Cc1c2ccccc2[nH]c1C(=O)[O-] ZINC000003906681 219530563 /nfs/dbraw/zinc/53/05/63/219530563.db2.gz LPNBYWONOZWKGC-UHFFFAOYSA-N -1 0 358.781 3.709 50 0 FHAARM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)COc2ccccc2)cc1 ZINC000003626633 219523293 /nfs/dbraw/zinc/52/32/93/219523293.db2.gz RJVJJYBODFGGQX-SFHVURJKSA-N -1 0 355.434 3.695 50 0 FHAARM O=C([O-])C[C@H](CC(=O)Oc1ccccc1N1CCCC1)c1ccccc1 ZINC000004347870 219568229 /nfs/dbraw/zinc/56/82/29/219568229.db2.gz VUJNRGKGRGRQKH-QGZVFWFLSA-N -1 0 353.418 3.841 50 0 FHAARM CCCO[C@H]1CCCN(C(=O)c2cc(Cl)c(Cl)cc2C(=O)[O-])C1 ZINC000004476137 219577588 /nfs/dbraw/zinc/57/75/88/219577588.db2.gz JLZMZCOVVOTICF-JTQLQIEISA-N -1 0 360.237 3.723 50 0 FHAARM CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000004562448 219586668 /nfs/dbraw/zinc/58/66/68/219586668.db2.gz CQXXKDFLWAXKMM-UHFFFAOYSA-N -1 0 372.446 3.546 50 0 FHAARM O=C([O-])c1nn2c(nc(-c3ccc(F)cc3)cc2C(F)(F)F)c1Cl ZINC000004811696 219609282 /nfs/dbraw/zinc/60/92/82/219609282.db2.gz DDZCWAMLPBEEIJ-UHFFFAOYSA-N -1 0 359.666 3.906 50 0 FHAARM CC(=O)Nc1cccc(-c2csc(Nc3ccc(O)c(C(=O)[O-])c3)n2)c1 ZINC000005065002 219647241 /nfs/dbraw/zinc/64/72/41/219647241.db2.gz SRCGYTGDFVVVOI-UHFFFAOYSA-N -1 0 369.402 3.916 50 0 FHAARM CC1(C)[C@@H](C(=O)[O-])CC[C@]1(C)C(=O)Nc1cccc(Br)c1 ZINC000005482331 219683449 /nfs/dbraw/zinc/68/34/49/219683449.db2.gz AIBXYGVUBITZEX-MLGOLLRUSA-N -1 0 354.244 3.915 50 0 FHAARM O=C([O-])C1CCC(NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000299742712 223079404 /nfs/dbraw/zinc/07/94/04/223079404.db2.gz IPNRSEXYAZRXGD-DZYMPVBWSA-N -1 0 355.356 3.569 50 0 FHAARM Cc1cc(=O)c(C(=O)[O-])c2n1-c1ccccc1S[C@H](c1ccccn1)C2 ZINC000299796999 223102351 /nfs/dbraw/zinc/10/23/51/223102351.db2.gz OFBUHCHMFKZSGB-SFHVURJKSA-N -1 0 364.426 3.629 50 0 FHAARM Cc1nn(Cc2cccc3ccccc32)c(C)c1NC(=O)CCCC(=O)[O-] ZINC000012649677 220015403 /nfs/dbraw/zinc/01/54/03/220015403.db2.gz DNYYJGFHIRVMQJ-UHFFFAOYSA-N -1 0 365.433 3.895 50 0 FHAARM CC(C)C[C@@H](NC(=O)CSc1nc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000012793186 220030809 /nfs/dbraw/zinc/03/08/09/220030809.db2.gz IXQNUQBHZPYMLC-LLVKDONJSA-N -1 0 372.899 3.657 50 0 FHAARM O=C([O-])c1ccc(F)c(NS(=O)(=O)c2ccccc2-c2ccccc2)c1 ZINC000012949798 220045887 /nfs/dbraw/zinc/04/58/87/220045887.db2.gz DDOBUFBMAFOEPF-UHFFFAOYSA-N -1 0 371.389 3.992 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCC2)c(C)c1 ZINC000013059045 220056098 /nfs/dbraw/zinc/05/60/98/220056098.db2.gz BUKOBUVWERAPKU-UHFFFAOYSA-N -1 0 372.490 3.777 50 0 FHAARM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)c1Cl ZINC000013071842 220056114 /nfs/dbraw/zinc/05/61/14/220056114.db2.gz FKXSPBDZHGGQFR-UHFFFAOYSA-N -1 0 373.261 3.510 50 0 FHAARM Cc1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c(Br)c1 ZINC000013248966 220062186 /nfs/dbraw/zinc/06/21/86/220062186.db2.gz XDPVEMBIUAJFGX-CYBMUJFWSA-N -1 0 362.223 3.955 50 0 FHAARM CCOc1ccc(-c2ncncc2-c2ccc(OC)c(OC)c2)c(O)c1 ZINC000013121919 220058671 /nfs/dbraw/zinc/05/86/71/220058671.db2.gz SPBHEVCDMWUUOY-UHFFFAOYSA-N -1 0 352.390 3.932 50 0 FHAARM O=C([O-])C1CCN(C(=O)c2ccccc2OCc2ccccc2Cl)CC1 ZINC000013167160 220061300 /nfs/dbraw/zinc/06/13/00/220061300.db2.gz WILZQFKKSZPBKS-UHFFFAOYSA-N -1 0 373.836 3.856 50 0 FHAARM O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2ccc3sccc3c2)cc1 ZINC000013454027 220068795 /nfs/dbraw/zinc/06/87/95/220068795.db2.gz HEHNQVPRIDCTQB-FPYGCLRLSA-N -1 0 359.428 3.800 50 0 FHAARM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000013464563 220068919 /nfs/dbraw/zinc/06/89/19/220068919.db2.gz DNWXJQJCUWGJPQ-UHFFFAOYSA-N -1 0 359.325 3.513 50 0 FHAARM O=C([O-])[C@@H]1CCCN1C(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000013494699 220070560 /nfs/dbraw/zinc/07/05/60/220070560.db2.gz SBZXMZAPYVGYQB-AFPWGUCCSA-N -1 0 353.462 3.600 50 0 FHAARM Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000014254740 220121268 /nfs/dbraw/zinc/12/12/68/220121268.db2.gz LFHOWOTVURRQIU-UHFFFAOYSA-N -1 0 363.389 3.568 50 0 FHAARM Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)nc1 ZINC000015728372 220161603 /nfs/dbraw/zinc/16/16/03/220161603.db2.gz NPSDAMLMOGNTPK-UHFFFAOYSA-N -1 0 355.463 3.941 50 0 FHAARM COC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000017075091 220203425 /nfs/dbraw/zinc/20/34/25/220203425.db2.gz HBGFBZZIRDBJLS-CHWSQXEVSA-N -1 0 365.451 3.537 50 0 FHAARM CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)c(C)n1 ZINC000017075515 220204630 /nfs/dbraw/zinc/20/46/30/220204630.db2.gz UBTNVOBSTOXAMF-UHFFFAOYSA-N -1 0 367.780 3.684 50 0 FHAARM CCn1ncc(Cn2c(=O)c3c4c(sc3[n-]c2=S)C[C@@H](C)CC4)c1C ZINC000017076692 220204897 /nfs/dbraw/zinc/20/48/97/220204897.db2.gz NULHBUNSHIPGRN-JTQLQIEISA-N -1 0 374.535 3.819 50 0 FHAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1sccc1C(=O)Nc1ccccc1 ZINC000017076272 220205885 /nfs/dbraw/zinc/20/58/85/220205885.db2.gz UPBUAEIRCAASLN-ZIAGYGMSSA-N -1 0 372.446 3.830 50 0 FHAARM O=c1nc(CN(Cc2cccs2)C[C@H]2CCCO2)[n-]c2ccsc21 ZINC000017307986 220213075 /nfs/dbraw/zinc/21/30/75/220213075.db2.gz ILXJLKCZGFGOHZ-GFCCVEGCSA-N -1 0 361.492 3.640 50 0 FHAARM Cc1ccc2c(C)nc(Nc3nc(C)c(CCC(C)C)c(=O)[nH]3)nc2c1 ZINC000018266656 220229659 /nfs/dbraw/zinc/22/96/59/220229659.db2.gz SMBBXTGZDPCYJD-UHFFFAOYSA-N -1 0 351.454 3.971 50 0 FHAARM O=c1[n-]c(=S)n(-c2ccccc2Cl)c2c1CN(C1CCCC1)CN2 ZINC000020567584 220332831 /nfs/dbraw/zinc/33/28/31/220332831.db2.gz LXWMUKKTFYYSHN-UHFFFAOYSA-N -1 0 362.886 3.676 50 0 FHAARM O=C([O-])c1cc(-c2cccs2)nc2c1c(=O)[nH]c(=S)n2C1CCCC1 ZINC000020604087 220334646 /nfs/dbraw/zinc/33/46/46/220334646.db2.gz GUUGLIRDSNWVQW-UHFFFAOYSA-N -1 0 373.459 3.622 50 0 FHAARM CC[C@@H](C)[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000020737535 220341036 /nfs/dbraw/zinc/34/10/36/220341036.db2.gz SBKQMWFYTHNZEP-BMIGLBTASA-N -1 0 366.870 3.622 50 0 FHAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000020921256 220346213 /nfs/dbraw/zinc/34/62/13/220346213.db2.gz YFWQVODIMDLADL-JKSUJKDBSA-N -1 0 351.402 3.747 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)c(Cl)c1 ZINC000022514172 220387958 /nfs/dbraw/zinc/38/79/58/220387958.db2.gz CREYMTYHVHHEHK-UHFFFAOYSA-N -1 0 364.854 3.576 50 0 FHAARM O=C([O-])[C@H](CC(=O)Nc1ccccc1)Cc1ccc(Br)cc1 ZINC000035142357 220771743 /nfs/dbraw/zinc/77/17/43/220771743.db2.gz YMSPKLWTBCEEGU-ZDUSSCGKSA-N -1 0 362.223 3.721 50 0 FHAARM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000044921519 220964687 /nfs/dbraw/zinc/96/46/87/220964687.db2.gz FOMNHBGXZWQHBT-UHFFFAOYSA-N -1 0 366.247 3.642 50 0 FHAARM Cn1ccnc1COc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000048356540 221009891 /nfs/dbraw/zinc/00/98/91/221009891.db2.gz MUYYYMJAPKHERY-UHFFFAOYSA-N -1 0 357.797 3.610 50 0 FHAARM CN(C)C(=O)Sc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000057785247 221094255 /nfs/dbraw/zinc/09/42/55/221094255.db2.gz BKFXOSRNNPPYEO-UHFFFAOYSA-N -1 0 372.418 3.539 50 0 FHAARM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc(Cl)c1C ZINC000058370863 221116171 /nfs/dbraw/zinc/11/61/71/221116171.db2.gz MXJGWSKQDORBHU-UHFFFAOYSA-N -1 0 371.867 3.869 50 0 FHAARM Cc1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c(C(=O)[O-])c1 ZINC000058377796 221117033 /nfs/dbraw/zinc/11/70/33/221117033.db2.gz GVUQPYLXGUOKGD-CMDGGOBGSA-N -1 0 351.811 3.759 50 0 FHAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2nnc(C)o2)s1 ZINC000064920038 221155822 /nfs/dbraw/zinc/15/58/22/221155822.db2.gz NRGYDAGNUIOONF-UHFFFAOYSA-N -1 0 363.464 3.778 50 0 FHAARM CCc1cccc([N-]S(=O)(=O)c2ccc(-c3ccno3)cc2OC)c1 ZINC000064979578 221160669 /nfs/dbraw/zinc/16/06/69/221160669.db2.gz VZFGYACWNRHHJZ-UHFFFAOYSA-N -1 0 358.419 3.713 50 0 FHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(-c2onc(C)c2C)s1 ZINC000065031388 221164938 /nfs/dbraw/zinc/16/49/38/221164938.db2.gz YMMUNZIYSMTKAX-UHFFFAOYSA-N -1 0 364.448 3.829 50 0 FHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2ccno2)s1 ZINC000065031152 221165348 /nfs/dbraw/zinc/16/53/48/221165348.db2.gz QAHRARJKYYZFEA-UHFFFAOYSA-N -1 0 370.839 3.866 50 0 FHAARM CCc1ccc([N-]S(=O)(=O)c2cc(-c3ccnn3CC)cs2)cc1 ZINC000065112403 221169763 /nfs/dbraw/zinc/16/97/63/221169763.db2.gz WXHAHAFAUXUNFH-UHFFFAOYSA-N -1 0 361.492 3.995 50 0 FHAARM CCn1nccc1-c1csc(S(=O)(=O)[N-]c2ccc(F)cc2C)c1 ZINC000065112434 221169866 /nfs/dbraw/zinc/16/98/66/221169866.db2.gz MFUJNWXEACAIJT-UHFFFAOYSA-N -1 0 365.455 3.880 50 0 FHAARM C[C@H]1CCc2c(sc3[nH]c(=O)c(C(=O)Nc4cccc(F)c4)c([O-])c23)C1 ZINC000065150406 221172578 /nfs/dbraw/zinc/17/25/78/221172578.db2.gz MEGIVKXQQMBAMM-VIFPVBQESA-N -1 0 372.421 3.811 50 0 FHAARM Cc1csc(CCCCNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)n1 ZINC000066143807 221243028 /nfs/dbraw/zinc/24/30/28/221243028.db2.gz CXTJCAQWZBFXKH-UHFFFAOYSA-N -1 0 374.491 3.516 50 0 FHAARM O=C([O-])CSc1nnc(Cc2c[nH]c3ccccc23)n1-c1ccccc1 ZINC000067677811 221270413 /nfs/dbraw/zinc/27/04/13/221270413.db2.gz OBKSQEZTGHSBJA-UHFFFAOYSA-N -1 0 364.430 3.516 50 0 FHAARM Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(C(F)F)c1C(=O)[O-] ZINC000068575088 221316502 /nfs/dbraw/zinc/31/65/02/221316502.db2.gz OQFXDZABGASXIM-UHFFFAOYSA-N -1 0 355.650 3.884 50 0 FHAARM Cc1ccccc1OCCCC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000070012794 221329876 /nfs/dbraw/zinc/32/98/76/221329876.db2.gz GHSMCSZLDYQIIQ-UHFFFAOYSA-N -1 0 353.378 3.548 50 0 FHAARM O=C([O-])C1(Oc2cccc(F)c2)CCN(c2ccc3ccccc3n2)CC1 ZINC000082134084 132196658 /nfs/dbraw/zinc/19/66/58/132196658.db2.gz ZSADFYPCBBSUKB-UHFFFAOYSA-N -1 0 366.392 3.877 50 0 FHAARM Cc1nc(C(C)C)cc(N2CCC(Oc3cccc(F)c3)(C(=O)[O-])CC2)n1 ZINC000082157733 132197633 /nfs/dbraw/zinc/19/76/33/132197633.db2.gz NVBUKLYGDAHWTD-UHFFFAOYSA-N -1 0 373.428 3.550 50 0 FHAARM Cc1ccc(-c2csc3ncnc(N4CCC(C(=O)[O-])CC4)c23)cc1 ZINC000003358753 132385261 /nfs/dbraw/zinc/38/52/61/132385261.db2.gz QAOITRZHDGXBQK-UHFFFAOYSA-N -1 0 353.447 3.968 50 0 FHAARM Cc1ccc(CC(=O)Nc2ccc(N3CCCCC3)cc2C(=O)[O-])cc1 ZINC000064589215 136133480 /nfs/dbraw/zinc/13/34/80/136133480.db2.gz SBKSKBRFVZOMQQ-UHFFFAOYSA-N -1 0 352.434 3.865 50 0 FHAARM O=C([O-])[C@]1(Cc2ccccc2F)CCCN(c2ncnc3sccc32)C1 ZINC000071761545 136140747 /nfs/dbraw/zinc/14/07/47/136140747.db2.gz IAEAYHXJNOSDSH-IBGZPJMESA-N -1 0 371.437 3.744 50 0 FHAARM Cc1cnc(C)nc1N1CCC[C@@](Cc2cccc(Cl)c2)(C(=O)[O-])C1 ZINC000071763469 136140833 /nfs/dbraw/zinc/14/08/33/136140833.db2.gz FULAJAHXRBTVDG-IBGZPJMESA-N -1 0 359.857 3.661 50 0 FHAARM Cn1c(C(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)cc2ccccc21 ZINC000095360606 221861520 /nfs/dbraw/zinc/86/15/20/221861520.db2.gz PIAPALITIUGRMS-GOSISDBHSA-N -1 0 362.429 3.896 50 0 FHAARM CN(C(=O)CSc1ccc(F)cc1F)C1(CC(=O)[O-])CCCCC1 ZINC000095401134 221900006 /nfs/dbraw/zinc/90/00/06/221900006.db2.gz BTVOCMULLFTGQG-UHFFFAOYSA-N -1 0 357.422 3.693 50 0 FHAARM O=C([O-])CCCN1C(=O)/C(=C\c2csc3ccccc23)SC1=S ZINC000096291367 222110751 /nfs/dbraw/zinc/11/07/51/222110751.db2.gz KLNASBCJBABITI-MDWZMJQESA-N -1 0 363.485 3.967 50 0 FHAARM Cc1nn(Cc2ccc(C)cc2)c(C)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000096286891 222111485 /nfs/dbraw/zinc/11/14/85/222111485.db2.gz BDZQPEPXFFNKAL-UHFFFAOYSA-N -1 0 373.453 3.797 50 0 FHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000096171086 222067970 /nfs/dbraw/zinc/06/79/70/222067970.db2.gz ARESIUMQDFZRJV-UHFFFAOYSA-N -1 0 374.231 3.706 50 0 FHAARM O=C([O-])CCCn1c(=O)c2ccccc2nc1/C=C\c1ccc(F)cc1F ZINC000096401542 222120293 /nfs/dbraw/zinc/12/02/93/222120293.db2.gz CLAAKDUSWATTDD-NTMALXAHSA-N -1 0 370.355 3.710 50 0 FHAARM O=C([O-])C[C@@H](CNc1nccc(-c2ccccn2)n1)c1ccc(Cl)cc1 ZINC000097635100 222199937 /nfs/dbraw/zinc/19/99/37/222199937.db2.gz HFUHUMGKHUZABC-AWEZNQCLSA-N -1 0 368.824 3.862 50 0 FHAARM O=c1c2c3c(c[nH]c-2nn1-c1ccccc1)C(=O)C[C@@H](c1ccccc1)C3 ZINC000100130355 222235806 /nfs/dbraw/zinc/23/58/06/222235806.db2.gz FBLFVABZKQPNEV-HNNXBMFYSA-N -1 0 355.397 3.627 50 0 FHAARM C[S@](=O)(=NC(=S)[N-]C(=O)Oc1ccccc1)c1ccc(Cl)cc1 ZINC000100217966 222239291 /nfs/dbraw/zinc/23/92/91/222239291.db2.gz GRSJYNNJFZVGJC-HSZRJFAPSA-N -1 0 368.867 3.870 50 0 FHAARM O=c1c([C@@H](O)c2ccccc2Cl)c(C(F)(F)F)[n-]n1-c1ccccc1 ZINC000100355046 222241763 /nfs/dbraw/zinc/24/17/63/222241763.db2.gz YILYRCMXIGMUIJ-KBPBESRZSA-N -1 0 368.742 3.955 50 0 FHAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ncccc2C)c1=O ZINC000100331662 222241824 /nfs/dbraw/zinc/24/18/24/222241824.db2.gz QEWJHHLAEUHATL-UHFFFAOYSA-N -1 0 365.433 3.853 50 0 FHAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1[C@H]1OC(=O)c2ccccc21 ZINC000100430124 222243960 /nfs/dbraw/zinc/24/39/60/222243960.db2.gz GCMRNAOVRARPEC-INIZCTEOSA-N -1 0 363.398 3.756 50 0 FHAARM CCCCn1c(=O)c(C(=O)Nc2ccccc2F)c([O-])c2ccccc21 ZINC000100498451 222244761 /nfs/dbraw/zinc/24/47/61/222244761.db2.gz HMVQWQWQYXZBCW-UHFFFAOYSA-N -1 0 354.381 3.899 50 0 FHAARM CCCCn1c2ccccc2c([O-])c(C(=O)N[C@H](C)c2ccccc2)c1=O ZINC000100512559 222246473 /nfs/dbraw/zinc/24/64/73/222246473.db2.gz VCWIDDGEGXGHNU-OAHLLOKOSA-N -1 0 364.445 3.998 50 0 FHAARM CC[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O)c1cccs1 ZINC000103469596 222336622 /nfs/dbraw/zinc/33/66/22/222336622.db2.gz DEHHAMMUHMLILV-CYBMUJFWSA-N -1 0 373.503 3.648 50 0 FHAARM Cc1csc(-n2[n-]c(C)c(CCC(=O)Nc3c(C)cccc3C)c2=O)n1 ZINC000101832709 222285375 /nfs/dbraw/zinc/28/53/75/222285375.db2.gz PLZGTBJMUBGCFU-UHFFFAOYSA-N -1 0 370.478 3.839 50 0 FHAARM CCn1c(=O)c2ccc(C(=O)N(C)[C@H](C)c3ccccc3)cc2[n-]c1=S ZINC000102179508 222290974 /nfs/dbraw/zinc/29/09/74/222290974.db2.gz AJBAERHCMCNGKH-CYBMUJFWSA-N -1 0 367.474 3.538 50 0 FHAARM CCn1c(=O)c2ccc(C(=O)N[C@@H](C)c3ccccc3C)cc2[n-]c1=S ZINC000102170342 222291434 /nfs/dbraw/zinc/29/14/34/222291434.db2.gz XVYPTUIAJSRFRI-ZDUSSCGKSA-N -1 0 367.474 3.505 50 0 FHAARM Cc1ccc(CN(C)Cc2cc(-c3ccccn3)ccc2OCC(=O)[O-])o1 ZINC000102545705 222299920 /nfs/dbraw/zinc/29/99/20/222299920.db2.gz VYJNBGHPWWDBTE-UHFFFAOYSA-N -1 0 366.417 3.745 50 0 FHAARM Cc1cc(SCC(=O)Nc2ccccc2C(=O)[O-])nc2ccccc12 ZINC000003269563 263328613 /nfs/dbraw/zinc/32/86/13/263328613.db2.gz BIFSOUIPRXMJCM-UHFFFAOYSA-N -1 0 352.415 3.972 50 0 FHAARM Cc1[n-]n(-c2c(F)c(F)c(F)c(F)c2F)c(=O)c1Cc1ccccc1 ZINC000004610995 263335012 /nfs/dbraw/zinc/33/50/12/263335012.db2.gz IJKMUYWRPDSMAC-JTQLQIEISA-N -1 0 354.278 3.964 50 0 FHAARM CC(C)c1ccc(-c2nc(CC(=O)N3CCC[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC000020729791 519833850 /nfs/dbraw/zinc/83/38/50/519833850.db2.gz QMTNKJAVXKOFDP-MRXNPFEDSA-N -1 0 372.490 3.799 50 0 FHAARM O=C([O-])C1CCC(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC1 ZINC000268924711 527561681 /nfs/dbraw/zinc/56/16/81/527561681.db2.gz DKKPZPOUHDQSQB-UHGWMABZSA-N -1 0 356.249 3.857 50 0 FHAARM CCCC[C@](C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-] ZINC000005514857 560202319 /nfs/dbraw/zinc/20/23/19/560202319.db2.gz CNWGPXZGIIOYDL-AGRNYGATSA-N -1 0 368.514 3.865 50 0 in-vitro FHAARM CC(C)[C@H](NC(=O)c1ccc2c(ccn2Cc2ccccc2)c1)C(=O)[O-] ZINC000218355977 568229753 /nfs/dbraw/zinc/22/97/53/568229753.db2.gz PIRKIEQCPAGZBN-IBGZPJMESA-N -1 0 350.418 3.529 50 0 FHAARM O=C([O-])c1cc(N2CCCCCC2)ccc1NS(=O)(=O)c1ccccc1 ZINC000033007167 568440440 /nfs/dbraw/zinc/44/04/40/568440440.db2.gz LDUOZCBLGGYXAW-UHFFFAOYSA-N -1 0 374.462 3.566 50 0 FHAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1 ZINC000213901864 570438507 /nfs/dbraw/zinc/43/85/07/570438507.db2.gz TXLUWFPQLXODBP-LJQANCHMSA-N -1 0 351.402 3.778 50 0 FHAARM Cc1cc(F)ccc1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000095067911 570451200 /nfs/dbraw/zinc/45/12/00/570451200.db2.gz DCJKLHDLEIAYDS-UHFFFAOYSA-N -1 0 362.195 3.837 50 0 FHAARM O=C(CCc1nnc(C(Cl)(Cl)Cl)o1)c1nc2ccccc2[nH]1 ZINC000095101127 570451205 /nfs/dbraw/zinc/45/12/05/570451205.db2.gz ZQMODYZTISIQNS-UHFFFAOYSA-N -1 0 359.600 3.588 50 0 FHAARM O=C([O-])c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1 ZINC000001481815 570501294 /nfs/dbraw/zinc/50/12/94/570501294.db2.gz BOFQWVMAQOTZIW-UHFFFAOYSA-N -1 0 373.368 3.711 50 0 fda FHAARM CCCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000002486637 570522376 /nfs/dbraw/zinc/52/23/76/570522376.db2.gz GLKFRBLCHHSNLL-OLZOCXBDSA-N -1 0 367.467 3.761 50 0 FHAARM CC[C@@H]1CCc2c(sc3[nH]c(-c4ccc(C(=O)[O-])cc4)nc(=O)c23)C1 ZINC000002637186 570526645 /nfs/dbraw/zinc/52/66/45/570526645.db2.gz XHGCRGNOUURQTN-SNVBAGLBSA-N -1 0 354.431 3.865 50 0 FHAARM Cc1cc(=O)oc2cc(NC(=S)Nc3cccc(C(=O)[O-])c3)ccc12 ZINC000002853280 570537710 /nfs/dbraw/zinc/53/77/10/570537710.db2.gz LRRZCFZSJPXPSP-UHFFFAOYSA-N -1 0 354.387 3.609 50 0 FHAARM COc1ccc(-c2cc(C(=O)[O-])c3nc(-c4ccccc4)[nH]c3n2)cc1O ZINC000011694706 570548500 /nfs/dbraw/zinc/54/85/00/570548500.db2.gz CANMQPASZHQVAO-UHFFFAOYSA-N -1 0 361.357 3.704 50 0 FHAARM Cc1ccc(-c2cnc(CCC(=O)N3CCCC[C@H]3CCC(=O)[O-])o2)cc1 ZINC000237730302 570573723 /nfs/dbraw/zinc/57/37/23/570573723.db2.gz LJHNVFRSOOCJFO-KRWDZBQOSA-N -1 0 370.449 3.829 50 0 FHAARM CC(C)(C)OC(=O)N1C[C@H](Cc2ccc(C(F)(F)F)cc2)C[C@H]1C(=O)[O-] ZINC000004241458 570581777 /nfs/dbraw/zinc/58/17/77/570581777.db2.gz RQLCPQMSGLKHNN-OCCSQVGLSA-N -1 0 373.371 3.958 50 0 FHAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cccc(OCc2cscn2)c1 ZINC000237942315 570583216 /nfs/dbraw/zinc/58/32/16/570583216.db2.gz MXLCBQTWUYMPAW-INIZCTEOSA-N -1 0 374.462 3.582 50 0 FHAARM COc1cc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc(Cl)c1[O-] ZINC000005095425 570584641 /nfs/dbraw/zinc/58/46/41/570584641.db2.gz GEGDMOGDFHBWBF-UHFFFAOYSA-N -1 0 362.838 3.898 50 0 FHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccccc2)C1 ZINC000237966609 570585149 /nfs/dbraw/zinc/58/51/49/570585149.db2.gz CJPBBWIDSRLMNC-INIZCTEOSA-N -1 0 365.429 3.635 50 0 FHAARM CC(C)(C)c1ccc(OCCn2c3ccccc3nc2S(=O)(=O)[O-])cc1 ZINC000004386080 570588927 /nfs/dbraw/zinc/58/89/27/570588927.db2.gz BVZFVXSEQXXGCS-UHFFFAOYSA-N -1 0 374.462 3.660 50 0 FHAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000004580634 570596655 /nfs/dbraw/zinc/59/66/55/570596655.db2.gz QHPPNJXAAAPIOO-HNNXBMFYSA-N -1 0 368.216 3.948 50 0 FHAARM COc1ccc([C@H](NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c2ccccc2)cc1 ZINC000004573468 570596914 /nfs/dbraw/zinc/59/69/14/570596914.db2.gz CLDXKPCFEJOELW-SLFFLAALSA-N -1 0 365.429 3.568 50 0 FHAARM O=c1[n-]c(SCc2ccc(Br)cc2)nnc1-c1ccccc1 ZINC000011990970 570603604 /nfs/dbraw/zinc/60/36/04/570603604.db2.gz GHTJCTONJGYWKY-UHFFFAOYSA-N -1 0 374.263 3.887 50 0 FHAARM O=C([O-])c1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000004845166 570610420 /nfs/dbraw/zinc/61/04/20/570610420.db2.gz QMBUPJFZHKDIKK-UHFFFAOYSA-N -1 0 369.229 3.818 50 0 FHAARM Cc1ccccc1S(=O)(=O)[N-]C(=O)C(C)(C)c1ccc(Cl)cc1F ZINC000252496688 570623157 /nfs/dbraw/zinc/62/31/57/570623157.db2.gz PORYYKTXKIGWNH-UHFFFAOYSA-N -1 0 369.845 3.570 50 0 FHAARM CCOc1ccc(NC(=O)[C@@H](CC(=O)[O-])Cc2cc(C)cc(C)c2)cc1 ZINC000005170686 570628127 /nfs/dbraw/zinc/62/81/27/570628127.db2.gz WFRINPUAHKYLNW-QGZVFWFLSA-N -1 0 355.434 3.974 50 0 FHAARM O=C([O-])c1cccnc1SCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000003169573 570656672 /nfs/dbraw/zinc/65/66/72/570656672.db2.gz KZIZILFJGNHODY-UHFFFAOYSA-N -1 0 370.402 3.825 50 0 FHAARM O=C(CSC1=NC(=O)C(c2ccccc2)C([O-])=N1)c1ccc(Cl)cc1 ZINC000009667805 570696617 /nfs/dbraw/zinc/69/66/17/570696617.db2.gz XECBSBVQHSTAER-UHFFFAOYSA-N -1 0 372.833 3.771 50 0 FHAARM C[C@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)C[C@H](c2ccsc2)O1 ZINC000156331377 570713576 /nfs/dbraw/zinc/71/35/76/570713576.db2.gz IFTJBFAXXJARMT-ZUZCIYMTSA-N -1 0 360.460 3.780 50 0 FHAARM COCc1cc(C)nc2sc3c([n-]c(-c4ccc(OC)cc4)nc3=O)c21 ZINC000012445625 570746640 /nfs/dbraw/zinc/74/66/40/570746640.db2.gz NTGFDPOKJAAHJW-UHFFFAOYSA-N -1 0 367.430 3.663 50 0 FHAARM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2nnc(-c3ccncc3)s2)cc1 ZINC000032610542 570753403 /nfs/dbraw/zinc/75/34/03/570753403.db2.gz GFWKDWUWDSADAP-UHFFFAOYSA-N -1 0 374.491 3.698 50 0 FHAARM C[C@H]1Cc2cccc3c2n1c(=O)c(C(=O)Nc1ccccc1Cl)c3[O-] ZINC000200459348 570771935 /nfs/dbraw/zinc/77/19/35/570771935.db2.gz IBMOFHCFLKUYPO-JTQLQIEISA-N -1 0 354.793 3.730 50 0 FHAARM O=C([O-])[C@]12CC[C@@H]1CN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000708324236 570804722 /nfs/dbraw/zinc/80/47/22/570804722.db2.gz BYEWVSCMZIHATN-PEBXRYMYSA-N -1 0 363.413 3.732 50 0 FHAARM CCn1c(=O)c(-c2nc(-c3ccccc3C)no2)c([O-])c2ccc(F)cc21 ZINC000101724849 570822189 /nfs/dbraw/zinc/82/21/89/570822189.db2.gz YDALPFYHIROEGX-UHFFFAOYSA-N -1 0 365.364 3.892 50 0 FHAARM Cc1ccc(NCc2nn3c([n-]2)nc(C)c(Cc2ccccc2)c3=O)cc1C ZINC000101802803 570824222 /nfs/dbraw/zinc/82/42/22/570824222.db2.gz YCSZDJWFTCZVBP-UHFFFAOYSA-N -1 0 373.460 3.546 50 0 FHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(Cl)c4C)c=3c2=O)cc1F ZINC000102819253 570839846 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/nfs/dbraw/zinc/58/25/17/219582517.db2.gz JGFXIZLNNUIUOC-FQEVSTJZSA-N -1 0 361.397 3.913 50 0 FHAARM O=C([O-])CC1=C(c2cccs2)Nn2cc(-c3ccccc3)nc2S1 ZINC000008134343 219848912 /nfs/dbraw/zinc/84/89/12/219848912.db2.gz FBCXCIABHYIJQS-AWEZNQCLSA-N -1 0 355.444 3.813 50 0 FHAARM C[C@H](C(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C ZINC000257349397 223074544 /nfs/dbraw/zinc/07/45/44/223074544.db2.gz NVSBPOIDOGLQAT-QTULWIGASA-N -1 0 362.510 3.906 50 0 FHAARM COc1cc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c(OC)cc1Cl ZINC000008986841 219873063 /nfs/dbraw/zinc/87/30/63/219873063.db2.gz COQNVEGWAWOKJQ-LBPRGKRZSA-N -1 0 363.797 3.554 50 0 FHAARM COc1cc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c(OC)cc1Cl ZINC000008986843 219873362 /nfs/dbraw/zinc/87/33/62/219873362.db2.gz COQNVEGWAWOKJQ-GFCCVEGCSA-N -1 0 363.797 3.554 50 0 FHAARM Cc1c(C(=O)[O-])sc2ncnc(NCCc3c[nH]c4ccccc34)c12 ZINC000299784172 223095610 /nfs/dbraw/zinc/09/56/10/223095610.db2.gz HYMBLFQPTXDBPU-UHFFFAOYSA-N -1 0 352.419 3.834 50 0 FHAARM CCCCc1ccc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000012760160 220025620 /nfs/dbraw/zinc/02/56/20/220025620.db2.gz ICRHAHBKKIGWRW-UHFFFAOYSA-N -1 0 355.463 3.599 50 0 FHAARM Cc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)nc1 ZINC000012788833 220030748 /nfs/dbraw/zinc/03/07/48/220030748.db2.gz UUINTUJZXJXYAN-UHFFFAOYSA-N -1 0 373.459 3.505 50 0 FHAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000013251070 220061893 /nfs/dbraw/zinc/06/18/93/220061893.db2.gz VIDCUPYKBFNFLJ-UHFFFAOYSA-N -1 0 353.440 3.515 50 0 FHAARM O=C([O-])C1CCN(C(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000013167420 220061079 /nfs/dbraw/zinc/06/10/79/220061079.db2.gz UNWYONCGUFHPJD-DUXPYHPUSA-N -1 0 361.747 3.695 50 0 FHAARM O=C([N-]n1c(-c2cccc(F)c2)n[nH]c1=S)c1ccc2ccccc2n1 ZINC000014167221 220112863 /nfs/dbraw/zinc/11/28/63/220112863.db2.gz PABFODWTEGOQHQ-UHFFFAOYSA-N -1 0 365.393 3.679 50 0 FHAARM CCn1ncc(Cn2c(=O)c3c4c(sc3[n-]c2=S)C[C@H](C)CC4)c1C ZINC000017076693 220204887 /nfs/dbraw/zinc/20/48/87/220204887.db2.gz NULHBUNSHIPGRN-SNVBAGLBSA-N -1 0 374.535 3.819 50 0 FHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1sccc1C(=O)Nc1ccccc1 ZINC000017075877 220205535 /nfs/dbraw/zinc/20/55/35/220205535.db2.gz BXNNQRXDPDUGMO-UONOGXRCSA-N -1 0 370.430 3.606 50 0 FHAARM Cc1cc(C(F)(F)F)nc2nn3c(nc(C4CC4)c(Cl)c3C(=O)[O-])c21 ZINC000020615864 220335966 /nfs/dbraw/zinc/33/59/66/220335966.db2.gz UJCJGABVRWKZQA-UHFFFAOYSA-N -1 0 370.718 3.834 50 0 FHAARM Cc1nc(-c2ccccc2)sc1C(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000020729698 220339273 /nfs/dbraw/zinc/33/92/73/220339273.db2.gz HCYICYRHJOEIIV-UHFFFAOYSA-N -1 0 358.463 3.739 50 0 FHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2coc(C)n2)cc1 ZINC000021111415 220351649 /nfs/dbraw/zinc/35/16/49/220351649.db2.gz UINSFXLVNUIOCH-UHFFFAOYSA-N -1 0 358.419 3.850 50 0 FHAARM COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000021033108 220349304 /nfs/dbraw/zinc/34/93/04/220349304.db2.gz ZFTBUSUZCZEWPQ-UHFFFAOYSA-N -1 0 362.382 3.599 50 0 FHAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3Cl)o2)n[nH]1 ZINC000021886625 220369583 /nfs/dbraw/zinc/36/95/83/220369583.db2.gz WHUQTUNQKACAEE-UHFFFAOYSA-N -1 0 351.815 3.741 50 0 FHAARM CC1CCN(Cc2csc(NC(=O)c3cc(Cl)ccc3[O-])n2)CC1 ZINC000022324833 220382615 /nfs/dbraw/zinc/38/26/15/220382615.db2.gz BTTAZTJUNOEOHH-UHFFFAOYSA-N -1 0 365.886 3.986 50 0 FHAARM Cc1sc(NC(=O)CC(C)(C)CC(=O)[O-])c(C(N)=O)c1-c1ccccc1 ZINC000028900075 220588078 /nfs/dbraw/zinc/58/80/78/220588078.db2.gz NYNSSLUIGGQPJQ-UHFFFAOYSA-N -1 0 374.462 3.652 50 0 FHAARM CSc1ccc(/C=C/c2nc3ccccc3c(=O)n2CCC(=O)[O-])cc1 ZINC000029736957 220610212 /nfs/dbraw/zinc/61/02/12/220610212.db2.gz IMDXQEPZWCIGSV-DHZHZOJOSA-N -1 0 366.442 3.764 50 0 FHAARM O=C([O-])[C@H]1CS[C@H](c2ccc(COc3c(Cl)cccc3Cl)o2)N1 ZINC000036612348 220821459 /nfs/dbraw/zinc/82/14/59/220821459.db2.gz TZRQVNAOFSMRFZ-BXUZGUMPSA-N -1 0 374.245 3.954 50 0 FHAARM COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1cccc(Cl)c1 ZINC000038841852 220857386 /nfs/dbraw/zinc/85/73/86/220857386.db2.gz PXXTUBBLCCJTKH-UHFFFAOYSA-N -1 0 357.793 3.927 50 0 in-vitro FHAARM COc1ccc(F)cc1[C@@H](C(=O)[O-])N(Cc1ccco1)Cc1ccncc1 ZINC000055090477 221058750 /nfs/dbraw/zinc/05/87/50/221058750.db2.gz LDNDZTSTNHRZPB-IBGZPJMESA-N -1 0 370.380 3.650 50 0 FHAARM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000055595033 221071872 /nfs/dbraw/zinc/07/18/72/221071872.db2.gz LSFQDCPOSLZAEO-UHFFFAOYSA-N -1 0 370.833 3.937 50 0 FHAARM Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000058377329 221117044 /nfs/dbraw/zinc/11/70/44/221117044.db2.gz WKKRCJQGUDRAAK-CMDGGOBGSA-N -1 0 351.811 3.759 50 0 FHAARM Cc1cc(C)cc(N(C)S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000063877813 221145373 /nfs/dbraw/zinc/14/53/73/221145373.db2.gz BQUXGUMFTOEHCJ-UHFFFAOYSA-N -1 0 371.817 3.619 50 0 FHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cc(C)no2)cc1C ZINC000064979704 221160925 /nfs/dbraw/zinc/16/09/25/221160925.db2.gz UGFOAAXMQKCLRP-UHFFFAOYSA-N -1 0 358.419 3.768 50 0 FHAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3ccno3)cc2OC)cc1 ZINC000064979544 221161011 /nfs/dbraw/zinc/16/10/11/221161011.db2.gz QWWXHUIURMODEG-UHFFFAOYSA-N -1 0 374.418 3.550 50 0 FHAARM Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000064947015 221156878 /nfs/dbraw/zinc/15/68/78/221156878.db2.gz ZKINMGZBBIGUEW-UHFFFAOYSA-N -1 0 359.426 3.737 50 0 FHAARM COc1cc(-c2ccno2)ccc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000064979566 221160357 /nfs/dbraw/zinc/16/03/57/221160357.db2.gz NQLHMGPUELDQNO-UHFFFAOYSA-N -1 0 358.419 3.768 50 0 FHAARM COc1ccc([N-]S(=O)(=O)c2c(C(C)C)nc3sc(C)cn32)cc1 ZINC000065183491 221175250 /nfs/dbraw/zinc/17/52/50/221175250.db2.gz DOXJXAWJHUFHPO-UHFFFAOYSA-N -1 0 365.480 3.637 50 0 FHAARM CCc1nnc(-c2csc(S(=O)(=O)[N-]c3cccc(CC)c3)c2)o1 ZINC000065098668 221168830 /nfs/dbraw/zinc/16/88/30/221168830.db2.gz CSFLNLOIYDVXGJ-UHFFFAOYSA-N -1 0 363.464 3.724 50 0 FHAARM Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnc(C(C)C)o3)o2)ccc1F ZINC000065246309 221187004 /nfs/dbraw/zinc/18/70/04/221187004.db2.gz BHTMLCKZNNPLMA-UHFFFAOYSA-N -1 0 365.386 3.701 50 0 FHAARM Cc1cccc(-c2c[nH]nc2C2CCN(c3ncccc3C(=O)[O-])CC2)c1 ZINC000067820109 221289881 /nfs/dbraw/zinc/28/98/81/221289881.db2.gz SEWLVJHLOCOLDE-UHFFFAOYSA-N -1 0 362.433 3.862 50 0 FHAARM O=C(c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000068740914 221317638 /nfs/dbraw/zinc/31/76/38/221317638.db2.gz SMZKDAFYAPAQCM-UHFFFAOYSA-N -1 0 373.380 3.997 50 0 FHAARM O=C([O-])[C@@H](Cc1ccco1)n1ccnc1-c1ccc2cccc(F)c2n1 ZINC000071776804 221375470 /nfs/dbraw/zinc/37/54/70/221375470.db2.gz AQOCPCJBHKSRCW-MRXNPFEDSA-N -1 0 351.337 3.699 50 0 FHAARM Cc1nc(COc2cccc(C(=O)NC3(C(=O)[O-])CCCCC3)c2)cs1 ZINC000071802803 221377720 /nfs/dbraw/zinc/37/77/20/221377720.db2.gz CGFCVNDYCYFZGB-UHFFFAOYSA-N -1 0 374.462 3.548 50 0 FHAARM O=C1CCCCN1c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000005329791 132257200 /nfs/dbraw/zinc/25/72/00/132257200.db2.gz FSLCXSFWLHDMNY-UHFFFAOYSA-N -1 0 364.854 3.658 50 0 FHAARM O=C(COCc1ccccc1)Nc1cc(Br)cc(Cl)c1[O-] ZINC000095446769 221905397 /nfs/dbraw/zinc/90/53/97/221905397.db2.gz RIUKMROAEYZEGA-UHFFFAOYSA-N -1 0 370.630 3.963 50 0 FHAARM Cc1cc(C)n([C@@H]2CCN(c3nc(-c4ccccc4)ccc3C(=O)[O-])C2)n1 ZINC000096180451 222067655 /nfs/dbraw/zinc/06/76/55/222067655.db2.gz USRVHWLUDGSUTP-QGZVFWFLSA-N -1 0 362.433 3.712 50 0 FHAARM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000096170893 222068011 /nfs/dbraw/zinc/06/80/11/222068011.db2.gz OXWRVADIOQLCGZ-UHFFFAOYSA-N -1 0 362.195 3.837 50 0 FHAARM Cc1oc(-c2cc[nH]n2)cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1 ZINC000096386722 222118843 /nfs/dbraw/zinc/11/88/43/222118843.db2.gz KYSFHJWEWIXFMJ-UHFFFAOYSA-N -1 0 371.340 3.798 50 0 FHAARM O=C([O-])CCCn1c(=O)c2ccccc2nc1/C=C\c1ccc(F)c(F)c1 ZINC000096401540 222120299 /nfs/dbraw/zinc/12/02/99/222120299.db2.gz ZUFKLBODZBQXSD-NTMALXAHSA-N -1 0 370.355 3.710 50 0 FHAARM COc1ccc(-c2noc([C@H](C)Oc3ccc(CC(=O)[O-])cc3)n2)cc1 ZINC000097165982 222165446 /nfs/dbraw/zinc/16/54/46/222165446.db2.gz XZEWFBSVCFYZFJ-LBPRGKRZSA-N -1 0 354.362 3.512 50 0 FHAARM O=C(C[C@H]1CC[C@@H](C(=O)[O-])CC1)c1ccc(I)cc1 ZINC000100449397 222244050 /nfs/dbraw/zinc/24/40/50/222244050.db2.gz QNWLQUZPADJNLK-UMSPYCQHSA-N -1 0 372.202 3.755 50 0 FHAARM CCCSc1n[n-]c2nc3c(c(=O)n12)[C@](C)(CC)Cc1ccccc1-3 ZINC000100999720 222258725 /nfs/dbraw/zinc/25/87/25/222258725.db2.gz ZCNWZIOAMFYZHJ-LJQANCHMSA-N -1 0 354.479 3.811 50 0 FHAARM CC(C)C[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000101032900 222260697 /nfs/dbraw/zinc/26/06/97/222260697.db2.gz IGKFVPFUHTWJMI-QYZOEREBSA-N -1 0 368.408 3.550 50 0 FHAARM Cc1nc(-n2[n-]c(C)c(CCC(=O)Nc3ccccc3)c2=O)sc1C ZINC000101833207 222285664 /nfs/dbraw/zinc/28/56/64/222285664.db2.gz BWOIGOJZQONTOK-UHFFFAOYSA-N -1 0 356.451 3.531 50 0 FHAARM O=C([O-])c1cccc(NC(=O)c2cccc(NC(=O)Cc3ccccc3)c2)c1 ZINC000005197221 263339340 /nfs/dbraw/zinc/33/93/40/263339340.db2.gz UDFQZNDCCIRBNV-UHFFFAOYSA-N -1 0 374.396 3.818 50 0 FHAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000007382000 263350349 /nfs/dbraw/zinc/35/03/49/263350349.db2.gz IORQGVUQKWKPNZ-UHFFFAOYSA-N -1 0 374.231 3.706 50 0 FHAARM O=C([O-])[C@@H]1CCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000178266506 526279085 /nfs/dbraw/zinc/27/90/85/526279085.db2.gz KLBDYWOEMDVTMR-SECBINFHSA-N -1 0 371.245 3.664 50 0 FHAARM COc1ccccc1C(=O)Nc1ccc(N2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000064589081 537001531 /nfs/dbraw/zinc/00/15/31/537001531.db2.gz AFEWRLSIIJTTBZ-AWEZNQCLSA-N -1 0 368.433 3.882 50 0 FHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000000627614 567881421 /nfs/dbraw/zinc/88/14/21/567881421.db2.gz GIQIGBNLIDRIFG-HZPDHXFCSA-N -1 0 364.401 3.544 50 0 FHAARM C[C@H](Oc1ccc(C[N@H+](Cc2cccnc2)C2CC2)cc1Cl)C(=O)[O-] ZINC000215610114 568079632 /nfs/dbraw/zinc/07/96/32/568079632.db2.gz ZEMGWBZHPRMGRZ-ZDUSSCGKSA-N -1 0 360.841 3.752 50 0 FHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(C)c3ccccc32)c1 ZINC000012291019 568081404 /nfs/dbraw/zinc/08/14/04/568081404.db2.gz VQZGHWPXACQPSQ-UHFFFAOYSA-N -1 0 357.431 3.966 50 0 FHAARM CN(Cc1cc(-c2ccncc2)no1)[C@@H](C(=O)[O-])c1cc2ccccc2o1 ZINC000095355506 570452735 /nfs/dbraw/zinc/45/27/35/570452735.db2.gz CUKXGARKLQXXBA-LJQANCHMSA-N -1 0 363.373 3.741 50 0 FHAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Nc1cccc2c1CCCC2 ZINC000095529482 570469469 /nfs/dbraw/zinc/46/94/69/570469469.db2.gz HJZRWSDKPBGUGM-UHFFFAOYSA-N -1 0 368.462 3.527 50 0 FHAARM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(Cl)cc1Cl ZINC000095945920 570471714 /nfs/dbraw/zinc/47/17/14/570471714.db2.gz CJCOQJSZIXZQSW-UHFFFAOYSA-N -1 0 360.218 3.801 50 0 FHAARM O=S(=O)([N-]C(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000001040861 570474942 /nfs/dbraw/zinc/47/49/42/570474942.db2.gz ADGUKACHEIUMKQ-UHFFFAOYSA-N -1 0 361.275 3.669 50 0 FHAARM CCOc1cc(C=C2SC(=O)NC2=O)ccc1OC(=O)c1ccccc1 ZINC000004838780 570525918 /nfs/dbraw/zinc/52/59/18/570525918.db2.gz JVWCVVDIUOCPDT-WJDWOHSUSA-N -1 0 369.398 3.628 50 0 FHAARM CCSc1nnc(NC(=O)c2cc(Br)cs2)s1 ZINC000011690090 570542234 /nfs/dbraw/zinc/54/22/34/570542234.db2.gz ZJXDORNPTZMYSG-UHFFFAOYSA-N -1 0 350.288 3.726 50 0 FHAARM CCOc1cccc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])c1 ZINC000002939579 570544426 /nfs/dbraw/zinc/54/44/26/570544426.db2.gz KSIXRVNXJULFCW-UHFFFAOYSA-N -1 0 364.195 3.798 50 0 FHAARM COc1ccccc1[C@@H]1CCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237242676 570547280 /nfs/dbraw/zinc/54/72/80/570547280.db2.gz QEINYHXHDULTRZ-SFHVURJKSA-N -1 0 353.418 3.690 50 0 FHAARM CCC(=O)N1CCCc2cc(S(=O)(=O)Nc3cc(C)cc(C)c3)ccc21 ZINC000004885045 570554037 /nfs/dbraw/zinc/55/40/37/570554037.db2.gz NQMQCPQMZRTGDU-UHFFFAOYSA-N -1 0 372.490 3.793 50 0 FHAARM O=C([O-])CCC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 ZINC000005042927 570578930 /nfs/dbraw/zinc/57/89/30/570578930.db2.gz JLULDRWPVOVHHE-JUTLVYEUSA-N -1 0 368.389 3.860 50 0 FHAARM CCC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000004756678 570605570 /nfs/dbraw/zinc/60/55/70/570605570.db2.gz ZSCADDJNEQSHPI-HNNXBMFYSA-N -1 0 360.479 3.714 50 0 FHAARM CCC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000004756676 570605605 /nfs/dbraw/zinc/60/56/05/570605605.db2.gz ZSCADDJNEQSHPI-OAHLLOKOSA-N -1 0 360.479 3.714 50 0 FHAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000004821244 570608707 /nfs/dbraw/zinc/60/87/07/570608707.db2.gz DANQTRBHKJMWOL-ROUUACIJSA-N -1 0 372.465 3.579 50 0 FHAARM O=C([O-])[C@H]1CCCN(C(=O)c2cc(Cl)ccc2OC2CCCC2)C1 ZINC000128509260 570611436 /nfs/dbraw/zinc/61/14/36/570611436.db2.gz JHCOIVMPOKHKDG-LBPRGKRZSA-N -1 0 351.830 3.598 50 0 FHAARM CC[C@H](Sc1nnc(C)c(=O)[n-]1)C(=O)Nc1cccc2ccccc21 ZINC000004939142 570614440 /nfs/dbraw/zinc/61/44/40/570614440.db2.gz DQDGDXQICZPJBP-HNNXBMFYSA-N -1 0 354.435 3.548 50 0 biogenic FHAARM CCc1ccc(OCCSc2nc3ccccc3n2CCC(=O)[O-])cc1 ZINC000006574200 570649808 /nfs/dbraw/zinc/64/98/08/570649808.db2.gz JLPVHPXULHPJTN-UHFFFAOYSA-O -1 0 371.482 3.664 50 0 FHAARM COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CCC(=O)[O-] ZINC000002753798 570670831 /nfs/dbraw/zinc/67/08/31/570670831.db2.gz OGZQETXUJDPHMY-UHFFFAOYSA-N -1 0 367.810 3.658 50 0 FHAARM O=S(=O)([N-]c1cnn(Cc2ccc(F)cc2Cl)c1)c1cccs1 ZINC000002778769 570672942 /nfs/dbraw/zinc/67/29/42/570672942.db2.gz LLAFWYKZQLGSSB-UHFFFAOYSA-N -1 0 371.846 3.586 50 0 FHAARM CC1=C(C)C[C@@H](C(=O)Nc2cccc(Br)c2)[C@H](C(=O)[O-])C1 ZINC000002801792 570673768 /nfs/dbraw/zinc/67/37/68/570673768.db2.gz MKGJJHCGSSYNHZ-ZIAGYGMSSA-N -1 0 352.228 3.835 50 0 FHAARM O=C([O-])c1cc(-c2cccnc2)nc2c1cnn2Cc1ccccc1Cl ZINC000008780044 570688271 /nfs/dbraw/zinc/68/82/71/570688271.db2.gz WVIIGANCWBZAQT-UHFFFAOYSA-N -1 0 364.792 3.893 50 0 FHAARM Cc1nc([N-]c2ncc3c(n2)C[C@@H](c2ccco2)CC3=O)nc2ccccc12 ZINC000009313429 570693637 /nfs/dbraw/zinc/69/36/37/570693637.db2.gz SOWMNGYOGMGOPK-CYBMUJFWSA-N -1 0 371.400 3.978 50 0 FHAARM CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)CC1 ZINC000010460590 570701290 /nfs/dbraw/zinc/70/12/90/570701290.db2.gz LAOQSXWOJZVFBQ-UHFFFAOYSA-N -1 0 366.417 3.509 50 0 FHAARM Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)[O-])c1C ZINC000012062283 570715965 /nfs/dbraw/zinc/71/59/65/570715965.db2.gz IAXXFDWDVVVZSA-UHFFFAOYSA-N -1 0 356.447 3.909 50 0 FHAARM Cc1ccc(C)c(OCCSc2nc3ccccc3n2CC(=O)[O-])c1 ZINC000012627916 570754355 /nfs/dbraw/zinc/75/43/55/570754355.db2.gz KORMGXMEBIRTOI-UHFFFAOYSA-N -1 0 356.447 3.909 50 0 FHAARM O=C([O-])[C@H]1CN(C(=O)c2csc(-c3cccs3)n2)c2ccccc21 ZINC000177480593 570776695 /nfs/dbraw/zinc/77/66/95/570776695.db2.gz NLFQCCLQLINBSB-NSHDSACASA-N -1 0 356.428 3.700 50 0 FHAARM O=C(Nc1ccc(Oc2ccccc2)cc1)C([O-])=C1C(=O)Nc2ccccc21 ZINC000103445600 570849974 /nfs/dbraw/zinc/84/99/74/570849974.db2.gz VEZOTHCGGRXUMK-LJQANCHMSA-N -1 0 372.380 3.722 50 0 FHAARM O=C([O-])[C@@H]1CS[C@H](c2ccc(COc3c(Cl)cccc3Cl)o2)N1 ZINC000036612346 570880152 /nfs/dbraw/zinc/88/01/52/570880152.db2.gz TZRQVNAOFSMRFZ-SMDDNHRTSA-N -1 0 374.245 3.954 50 0 FHAARM Cc1nccn1-c1ccccc1Cn1ccnc1-c1ccccc1C(=O)[O-] ZINC000072170450 570960469 /nfs/dbraw/zinc/96/04/69/570960469.db2.gz MRLNERNLPRQSNS-UHFFFAOYSA-N -1 0 358.401 3.791 50 0 FHAARM O=S(=O)([N-]c1cccc(Oc2cnccn2)c1)c1ccccc1Cl ZINC000024576290 570977985 /nfs/dbraw/zinc/97/79/85/570977985.db2.gz ORHNQZFMFOBUHO-UHFFFAOYSA-N -1 0 361.810 3.723 50 0 FHAARM Cc1cccc(C(C)C)c1NC(=O)CC1=S([O-])c2ccccc2NC1=O ZINC000025573365 570997209 /nfs/dbraw/zinc/99/72/09/570997209.db2.gz KQRBYTXXCUEBKM-MRDQGFSESA-N -1 0 370.474 3.576 50 0 FHAARM O=C([O-])c1cn(-c2ccc(F)cc2)c2c1NC(=O)C[C@H]2c1cccnc1 ZINC000040267828 571025877 /nfs/dbraw/zinc/02/58/77/571025877.db2.gz OULOMHOPUADBEH-AWEZNQCLSA-N -1 0 351.337 3.833 50 0 FHAARM O=C([O-])[C@H]1CCCN(C(=O)Cn2c(-c3ccccc3)cc3ccccc32)C1 ZINC000032090403 571056405 /nfs/dbraw/zinc/05/64/05/571056405.db2.gz OUJAOQJXCGQGOM-SFHVURJKSA-N -1 0 362.429 3.632 50 0 FHAARM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1Cl ZINC000032601620 571058779 /nfs/dbraw/zinc/05/87/79/571058779.db2.gz UTRHWYLSIOEKNE-UHFFFAOYSA-N -1 0 360.218 3.801 50 0 FHAARM Cc1[nH]c2[n-]n(-c3ccccc3)c(=O)c2c(=O)c1Cc1ccccc1Cl ZINC000008767586 571060590 /nfs/dbraw/zinc/06/05/90/571060590.db2.gz JYNXPCOKMGVFJX-UHFFFAOYSA-N -1 0 365.820 3.560 50 0 FHAARM O=C([O-])CSc1nnc(-c2cccs2)n1-c1ccc(Cl)cc1 ZINC000001455555 571070083 /nfs/dbraw/zinc/07/00/83/571070083.db2.gz FYKCZPIJMWHZSS-UHFFFAOYSA-N -1 0 351.840 3.826 50 0 FHAARM CC(C)[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000036399087 571080227 /nfs/dbraw/zinc/08/02/27/571080227.db2.gz WVHQNPPGMKCPTP-SFHVURJKSA-N -1 0 353.418 3.882 50 0 FHAARM O=C([O-])[C@@H](CC(F)F)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000044831630 571102127 /nfs/dbraw/zinc/10/21/27/571102127.db2.gz AYIZPDXXYIFMQC-MRXNPFEDSA-N -1 0 361.344 3.634 50 0 FHAARM CC[C@@H](C)N(CC(=O)[O-])Cc1coc(-c2ccc(Br)cc2)n1 ZINC000236859169 571105763 /nfs/dbraw/zinc/10/57/63/571105763.db2.gz JMGFFZBNVAYTQV-LLVKDONJSA-N -1 0 367.243 3.789 50 0 FHAARM CC(C)(C)C(=O)Nc1cc(Br)c([O-])c(Br)c1 ZINC000009426127 571109062 /nfs/dbraw/zinc/10/90/62/571109062.db2.gz FSSMIVJFQWIZLY-UHFFFAOYSA-N -1 0 351.038 3.902 50 0 FHAARM Cc1ccnc(NC(=O)[C@@H](C(C)C)n2c(=O)c3ccccc3[n-]c2=S)c1 ZINC000009834552 571119731 /nfs/dbraw/zinc/11/97/31/571119731.db2.gz MDBWVBOREZRXFD-MRXNPFEDSA-N -1 0 368.462 3.598 50 0 FHAARM Cn1c(=O)c(C(=O)Nc2ccc(Cl)c(Cl)c2)c([O-])c2ccccc21 ZINC000001513687 571127614 /nfs/dbraw/zinc/12/76/14/571127614.db2.gz ADKMGHGSTSRAJR-UHFFFAOYSA-N -1 0 363.200 3.803 50 0 FHAARM Cc1cccc(Cn2[nH]ccc2=NC(=O)CSc2cc(F)ccc2F)c1 ZINC000252470030 571131071 /nfs/dbraw/zinc/13/10/71/571131071.db2.gz NPXFXDIHSLXXCL-UHFFFAOYSA-N -1 0 373.428 3.671 50 0 FHAARM CSCc1cccc(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)c1C ZINC000073769039 571139134 /nfs/dbraw/zinc/13/91/34/571139134.db2.gz NIDKKCXIQQOIQT-UHFFFAOYSA-N -1 0 367.474 3.898 50 0 FHAARM COc1ccc(-c2csc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])n2)cc1 ZINC000001003146 571142979 /nfs/dbraw/zinc/14/29/79/571142979.db2.gz HMYHUDKAKYRGNH-KBPBESRZSA-N -1 0 360.435 3.648 50 0 FHAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)CC[C@@H]21 ZINC000616577617 571145203 /nfs/dbraw/zinc/14/52/03/571145203.db2.gz JKXFSIRXKZELBS-NLWGTHIKSA-N -1 0 363.413 3.588 50 0 FHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)CCc2cccc(F)c2F)CC1 ZINC000238002451 571145705 /nfs/dbraw/zinc/14/57/05/571145705.db2.gz RCXYXNFAXMCOTB-UHFFFAOYSA-N -1 0 373.399 3.542 50 0 FHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)c2cc(Cl)c(Cl)[nH]2)CC1 ZINC000238006086 571145728 /nfs/dbraw/zinc/14/57/28/571145728.db2.gz VBQZKZBAAHXLJQ-UHFFFAOYSA-N -1 0 367.232 3.580 50 0 FHAARM O=C([O-])c1cc(NC(=S)NC(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000004672105 571157448 /nfs/dbraw/zinc/15/74/48/571157448.db2.gz ZKFAVYKEPFECDV-UHFFFAOYSA-N -1 0 369.229 3.818 50 0 FHAARM CC(C)Oc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)Oc2ccccc2)cc1 ZINC000004689735 571161545 /nfs/dbraw/zinc/16/15/45/571161545.db2.gz UZZRBXJSRFVDES-DNVCBOLYSA-N -1 0 371.433 3.573 50 0 FHAARM COc1ccc(-c2noc(-c3c[n-]c4ccc(C)cc4c3=O)n2)c(OC)c1 ZINC000075352730 571162076 /nfs/dbraw/zinc/16/20/76/571162076.db2.gz DSZFHLAEEKPYOW-UHFFFAOYSA-N -1 0 363.373 3.571 50 0 FHAARM Cc1nc([C@H](C)NC(=O)c2ccc(C(F)(F)F)cc2)sc1C(=O)[O-] ZINC000237595176 571170031 /nfs/dbraw/zinc/17/00/31/571170031.db2.gz WDYMTRFVRPCIJI-QMMMGPOBSA-N -1 0 358.341 3.660 50 0 FHAARM O=C([O-])CCc1cc2n(n1)CCN(Cc1ccccc1-c1ccccc1)C2 ZINC000072154954 571175046 /nfs/dbraw/zinc/17/50/46/571175046.db2.gz RWAOJFYSUNRWTD-UHFFFAOYSA-N -1 0 361.445 3.583 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)c(Cl)c1 ZINC000012536286 571175970 /nfs/dbraw/zinc/17/59/70/571175970.db2.gz YCTGZMZCGJYFGT-UHFFFAOYSA-N -1 0 353.827 3.611 50 0 FHAARM CCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000001786865 571193415 /nfs/dbraw/zinc/19/34/15/571193415.db2.gz RURQHWBRYCDMDD-UHFFFAOYSA-N -1 0 370.478 3.951 50 0 FHAARM COc1cccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)[O-])c1 ZINC000089469793 571204396 /nfs/dbraw/zinc/20/43/96/571204396.db2.gz DCQZESWYZANJMA-IBGZPJMESA-N -1 0 366.417 3.628 50 0 FHAARM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1C(C)(C)C ZINC000004970451 571213827 /nfs/dbraw/zinc/21/38/27/571213827.db2.gz QZPKQMZMTRTPQR-UHFFFAOYSA-N -1 0 354.859 3.842 50 0 FHAARM CC(C)(C)c1ccc([C@H](CC(=O)[O-])N2C(=O)c3ccccc3C2=O)cc1 ZINC000004745757 571230652 /nfs/dbraw/zinc/23/06/52/571230652.db2.gz BJHZQDDXJHWDNL-KRWDZBQOSA-N -1 0 351.402 3.796 50 0 FHAARM C[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)[O-] ZINC000082557548 571231035 /nfs/dbraw/zinc/23/10/35/571231035.db2.gz UZAANVFMPWVILR-FZKQIMNGSA-N -1 0 351.402 3.588 50 0 FHAARM Cc1nnc2c(Nc3ccc(Cl)c(C(=O)[O-])c3)nc3ccccc3n12 ZINC000006781837 571246340 /nfs/dbraw/zinc/24/63/40/571246340.db2.gz CLNQLXHNWANYLA-UHFFFAOYSA-N -1 0 353.769 3.681 50 0 FHAARM O=C([O-])c1ccc([C@H]2CC(=O)Nc3c2ncn3-c2ccc(Cl)cc2)cc1 ZINC000036358648 571249838 /nfs/dbraw/zinc/24/98/38/571249838.db2.gz RAZLUZWPIYZOCX-OAHLLOKOSA-N -1 0 367.792 3.698 50 0 FHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2cnc(C)o2)s1 ZINC000065003941 571250056 /nfs/dbraw/zinc/25/00/56/571250056.db2.gz IWTNTOGECZNCQI-UHFFFAOYSA-N -1 0 364.448 3.829 50 0 FHAARM O=S(=O)([N-]c1cccc(Br)c1)c1ccc(F)c(F)c1F ZINC000007052610 571259473 /nfs/dbraw/zinc/25/94/73/571259473.db2.gz MTEGPBLBFJAFPX-UHFFFAOYSA-N -1 0 366.158 3.667 50 0 FHAARM Cc1c(C[S@@](C)=O)cccc1NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000169988398 571260299 /nfs/dbraw/zinc/26/02/99/571260299.db2.gz DOJWLAOBSLNGIJ-RUZDIDTESA-N -1 0 365.495 3.627 50 0 FHAARM CCN(C(=O)c1c[n-]c2c(c(C)nn2-c2ccccc2)c1=O)c1ccccc1 ZINC000007423999 571265334 /nfs/dbraw/zinc/26/53/34/571265334.db2.gz JCLREEIVLWMJIS-UHFFFAOYSA-N -1 0 372.428 3.689 50 0 FHAARM Cc1ccc(Nc2cccc(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)c2)nn1 ZINC000170591072 571265951 /nfs/dbraw/zinc/26/59/51/571265951.db2.gz IQKMKKQLJNNYDK-UHFFFAOYSA-N -1 0 362.389 3.788 50 0 FHAARM Cc1ccccc1-c1noc(CSc2nc(=O)c3sccc3[n-]2)n1 ZINC000016842192 571273230 /nfs/dbraw/zinc/27/32/30/571273230.db2.gz VLEAPKWNAGFCTK-UHFFFAOYSA-N -1 0 356.432 3.635 50 0 FHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000237964210 571277381 /nfs/dbraw/zinc/27/73/81/571277381.db2.gz FONXIIVMVQKTGJ-MAZHCROVSA-N -1 0 369.383 3.912 50 0 FHAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000393033419 571277573 /nfs/dbraw/zinc/27/75/73/571277573.db2.gz DQRUYKHSKPAWJJ-GLQYFDAESA-N -1 0 361.829 3.608 50 0 FHAARM Cc1ccc(C)c(COc2ccc3c(C)c(CC(=O)[O-])c(=O)oc3c2)c1 ZINC000002148811 571280768 /nfs/dbraw/zinc/28/07/68/571280768.db2.gz SZJIKNXDQLUZOC-UHFFFAOYSA-N -1 0 352.386 3.924 50 0 biogenic FHAARM Cc1[nH]c2ccccc2c1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237704544 571281626 /nfs/dbraw/zinc/28/16/26/571281626.db2.gz WWDKRBKDCOLXHN-UHFFFAOYSA-N -1 0 362.429 3.735 50 0 FHAARM Cc1nc(S(=O)(=O)[N-]c2ccccc2-c2cc(F)c(F)c(F)c2)c[nH]1 ZINC000170650719 571282286 /nfs/dbraw/zinc/28/22/86/571282286.db2.gz CYRSTGZVYCKUHK-UHFFFAOYSA-N -1 0 367.352 3.603 50 0 FHAARM COc1ccc(-c2cc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])sc2C)cc1 ZINC000170676016 571285101 /nfs/dbraw/zinc/28/51/01/571285101.db2.gz NUPHMHUIYHASSC-INIZCTEOSA-N -1 0 361.463 3.961 50 0 FHAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1-n1cccn1)c1ccccc1 ZINC000007729018 571287282 /nfs/dbraw/zinc/28/72/82/571287282.db2.gz OMVKNNIPPDBGNR-UHFFFAOYSA-N -1 0 367.352 3.692 50 0 FHAARM CC[C@]1(C)Cc2c(sc3nc(SC)nc(SCC(=O)[O-])c32)CO1 ZINC000002226739 571290690 /nfs/dbraw/zinc/29/06/90/571290690.db2.gz XZLJJDFKHVRJKZ-OAHLLOKOSA-N -1 0 370.521 3.831 50 0 FHAARM O=C(c1ccccc1)c1ccc2c(c1[O-])[C@H](c1ccc(O)cc1)CC(=O)O2 ZINC000253413810 571312402 /nfs/dbraw/zinc/31/24/02/571312402.db2.gz VSSDTYMITDPRPK-KRWDZBQOSA-N -1 0 360.365 3.770 50 0 FHAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000002413779 571321631 /nfs/dbraw/zinc/32/16/31/571321631.db2.gz KOVPFIKRATYAOA-AWEZNQCLSA-N -1 0 353.205 3.811 50 0 FHAARM CC[C@@H](C)[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000080359276 571329218 /nfs/dbraw/zinc/32/92/18/571329218.db2.gz SBKQMWFYTHNZEP-MEBBXXQBSA-N -1 0 366.870 3.622 50 0 FHAARM CCn1cc(CC(=O)Nc2ccc(OCC(=O)[O-])cc2C)c2ccccc21 ZINC000095425254 571329523 /nfs/dbraw/zinc/32/95/23/571329523.db2.gz MYUWXPFXVPFLKH-UHFFFAOYSA-N -1 0 366.417 3.614 50 0 FHAARM COc1ccc(-c2nc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)cs2)cc1 ZINC000095992008 571333537 /nfs/dbraw/zinc/33/35/37/571333537.db2.gz QVDYMZPGUJLPTR-ZDUSSCGKSA-N -1 0 374.462 3.536 50 0 FHAARM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc3oc(CC)nc3c2)n[nH]1 ZINC000096007269 571333867 /nfs/dbraw/zinc/33/38/67/571333867.db2.gz BOZQFXJMPYPINE-LLVKDONJSA-N -1 0 362.455 3.818 50 0 FHAARM COc1ccccc1S(=O)(=O)[N-]c1ccc2nc(SC)sc2c1 ZINC000002624402 571339470 /nfs/dbraw/zinc/33/94/70/571339470.db2.gz QIAHNGXBSVJSRM-UHFFFAOYSA-N -1 0 366.489 3.828 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2cnn(Cc3cccc(Cl)c3)c2)cc1 ZINC000002792561 571341027 /nfs/dbraw/zinc/34/10/27/571341027.db2.gz GWRISJYVYHZFIH-UHFFFAOYSA-N -1 0 361.854 3.694 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3Cl)c2)cc1 ZINC000002792563 571341059 /nfs/dbraw/zinc/34/10/59/571341059.db2.gz YSSISQINZBEYCG-UHFFFAOYSA-N -1 0 361.854 3.694 50 0 FHAARM Cc1cccc(NC(=O)CCCn2c(=O)c3ccccc3[n-]c2=S)c1 ZINC000002971418 571343168 /nfs/dbraw/zinc/34/31/68/571343168.db2.gz IEVMLNKKYZVXSP-UHFFFAOYSA-N -1 0 353.447 3.786 50 0 FHAARM CC(C)(C)OC(=O)N1CCC(c2c(C(=O)[O-])cnn2-c2ccccc2)CC1 ZINC000004110562 571355401 /nfs/dbraw/zinc/35/54/01/571355401.db2.gz HQOCRYXSIBAASX-UHFFFAOYSA-N -1 0 371.437 3.685 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2ncnc3sc4c(c32)CCC4)cc1C ZINC000008132338 571359291 /nfs/dbraw/zinc/35/92/91/571359291.db2.gz XLETUTLKEKIJPM-UHFFFAOYSA-N -1 0 359.476 3.598 50 0 FHAARM COc1cccc(Oc2ccc(NC(=O)N3CCC(C(=O)[O-])CC3)cc2)c1 ZINC000263472970 600556925 /nfs/dbraw/zinc/55/69/25/600556925.db2.gz IISDIZQJVOLWFO-UHFFFAOYSA-N -1 0 370.405 3.816 50 0 FHAARM C[C@H]1CN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)CCC1(F)F ZINC000332629223 945248461 /nfs/dbraw/zinc/24/84/61/945248461.db2.gz DHNDMOCXAZSCSK-VIFPVBQESA-N -1 0 372.828 3.789 50 0 FHAARM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2nc(C(F)(F)F)c[nH]2)s1 ZINC000330489640 944363037 /nfs/dbraw/zinc/36/30/37/944363037.db2.gz KSHBGVRJJWGTRI-UHFFFAOYSA-N -1 0 353.391 3.588 50 0 FHAARM Cc1ccc(COc2ccc3ccccc3c2/C=C2/NC(=O)[N-]C2=O)cc1 ZINC000000661384 219310603 /nfs/dbraw/zinc/31/06/03/219310603.db2.gz CEQVWTCNBGGZKR-XDHOZWIPSA-N -1 0 358.397 3.908 50 0 FHAARM CCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000000687822 219313268 /nfs/dbraw/zinc/31/32/68/219313268.db2.gz GNYHOLHJCXJSEU-UHFFFAOYSA-N -1 0 366.870 3.507 50 0 FHAARM CC(C)c1cc(C(C)C)c(S(=O)(=O)NCCC(=O)[O-])c(C(C)C)c1 ZINC000000799491 219322524 /nfs/dbraw/zinc/32/25/24/219322524.db2.gz NYGCTOFREBGNAX-UHFFFAOYSA-N -1 0 355.500 3.810 50 0 FHAARM O=c1oc2cc([O-])ccc2cc1-c1nnc(Nc2ccc(F)cc2)s1 ZINC000000856302 219332267 /nfs/dbraw/zinc/33/22/67/219332267.db2.gz KGHHGZXFUOAHLM-UHFFFAOYSA-N -1 0 355.350 3.900 50 0 biogenic FHAARM COc1ccc2c(Cl)c(-c3nnc(SCC(=O)[O-])n3C)sc2c1 ZINC000000935568 219342386 /nfs/dbraw/zinc/34/23/86/219342386.db2.gz BMPYBMKZZNGUPP-UHFFFAOYSA-N -1 0 369.855 3.536 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(Cl)cc3)nn2C)cc1 ZINC000001033893 219355277 /nfs/dbraw/zinc/35/52/77/219355277.db2.gz CQRXLYRQMYIBEA-UHFFFAOYSA-N -1 0 361.854 3.850 50 0 FHAARM O=C([O-])CCC(=O)Nc1ccccc1-c1nnc(-c2ccc(Cl)cc2)o1 ZINC000001044610 219357087 /nfs/dbraw/zinc/35/70/87/219357087.db2.gz FXMIBLNHSFFHRI-UHFFFAOYSA-N -1 0 371.780 3.860 50 0 FHAARM O=C([O-])/C=C/C(=O)Nc1ccccc1-c1nnc(-c2ccc(Cl)cc2)o1 ZINC000001044608 219357253 /nfs/dbraw/zinc/35/72/53/219357253.db2.gz MUCFOXPQALOQOH-MDZDMXLPSA-N -1 0 369.764 3.636 50 0 FHAARM Cc1cc(C)nc([N-]c2n[nH]c(CSc3nc4ccccc4s3)n2)n1 ZINC000001076032 219365343 /nfs/dbraw/zinc/36/53/43/219365343.db2.gz YDUDOCKHEOWTNE-UHFFFAOYSA-N -1 0 369.479 3.857 50 0 FHAARM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000001127449 219376074 /nfs/dbraw/zinc/37/60/74/219376074.db2.gz GIOIXJRDOKPOLC-LBPRGKRZSA-N -1 0 366.870 3.669 50 0 FHAARM O=C([O-])C1CCN(C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000238103794 222913857 /nfs/dbraw/zinc/91/38/57/222913857.db2.gz KNQYTXYCDMFLQV-LCYFTJDESA-N -1 0 361.747 3.609 50 0 FHAARM C[C@H](C(=O)[O-])[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000237501546 222908689 /nfs/dbraw/zinc/90/86/89/222908689.db2.gz ZSJXOYCOKCWVEK-VBKZILBWSA-N -1 0 350.418 3.679 50 0 FHAARM C[C@@H](C(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000254766628 222997249 /nfs/dbraw/zinc/99/72/49/222997249.db2.gz MULSOMSXPSGJAM-JGJGTMDNSA-N -1 0 364.526 3.698 50 0 FHAARM CCOc1ccc(Cc2nnc(Nc3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000005154509 219656115 /nfs/dbraw/zinc/65/61/15/219656115.db2.gz SUYHRGROYZHUTL-UHFFFAOYSA-N -1 0 356.813 3.551 50 0 FHAARM O=C([O-])c1ccc(COc2ccc3c(c2)oc(=O)c2c3CCCC2)cc1 ZINC000005214121 219661964 /nfs/dbraw/zinc/66/19/64/219661964.db2.gz SEQSAFGFIWCZNA-UHFFFAOYSA-N -1 0 350.370 3.949 50 0 FHAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3cccc4c3NCCC4)C2)c1 ZINC000299774465 223090363 /nfs/dbraw/zinc/09/03/63/223090363.db2.gz IPZUVEQQIMHPCL-SFHVURJKSA-N -1 0 364.445 3.763 50 0 FHAARM Cc1cc(SC[C@H](NC(=O)c2ccccc2)C(=O)[O-])c2ccccc2n1 ZINC000012528167 220003501 /nfs/dbraw/zinc/00/35/01/220003501.db2.gz VNFZQLBRGJZAMR-KRWDZBQOSA-N -1 0 366.442 3.519 50 0 FHAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000012632234 220016062 /nfs/dbraw/zinc/01/60/62/220016062.db2.gz VDQKPTRPALXQGQ-UHFFFAOYSA-N -1 0 351.406 3.855 50 0 FHAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)ccc1Cl ZINC000012864664 220037101 /nfs/dbraw/zinc/03/71/01/220037101.db2.gz IJDZGKUCHMDRJH-UHFFFAOYSA-N -1 0 364.181 3.632 50 0 FHAARM O=c1nc(CN2CCC[C@H]2c2nc3ccccc3s2)[n-]c2ccsc21 ZINC000012936230 220045487 /nfs/dbraw/zinc/04/54/87/220045487.db2.gz NPDUFLHGGXBJGL-ZDUSSCGKSA-N -1 0 368.487 3.931 50 0 FHAARM Cc1c(C(=O)[O-])sc2nc3n(c(=O)c12)CC/C3=C\c1cccc(F)c1 ZINC000013112788 220057032 /nfs/dbraw/zinc/05/70/32/220057032.db2.gz YMZKCTWBUAAHIA-YRNVUSSQSA-N -1 0 356.378 3.548 50 0 FHAARM CCN(C(=O)COc1ccc(CC(=O)[O-])cc1)c1cccc2ccccc21 ZINC000013420704 220067301 /nfs/dbraw/zinc/06/73/01/220067301.db2.gz KCXDSJWPHIDFIL-UHFFFAOYSA-N -1 0 363.413 3.899 50 0 FHAARM Cc1c(C(=O)[O-])sc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c12 ZINC000013418078 220067592 /nfs/dbraw/zinc/06/75/92/220067592.db2.gz IQEBAXSJCAVOHK-UHFFFAOYSA-N -1 0 369.229 3.820 50 0 FHAARM CN(Cc1ccc(Br)s1)Cc1nc(=O)c2sccc2[n-]1 ZINC000014069878 220103913 /nfs/dbraw/zinc/10/39/13/220103913.db2.gz XAOXAXZDTPSZRM-UHFFFAOYSA-N -1 0 370.297 3.853 50 0 FHAARM Cc1nn(Cc2cccc(F)c2)c(C)c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000014231599 220117974 /nfs/dbraw/zinc/11/79/74/220117974.db2.gz JPIJSKUVENYAQL-UHFFFAOYSA-N -1 0 373.453 3.797 50 0 FHAARM Cc1cccc(-c2nc3nc(C)cc(Nc4ccc(CC(=O)[O-])cc4)n3n2)c1 ZINC000015785047 220165636 /nfs/dbraw/zinc/16/56/36/220165636.db2.gz BMPYVDKWGZYMJX-UHFFFAOYSA-N -1 0 373.416 3.779 50 0 FHAARM CC1CCN(C(=O)c2cccc(NC(=O)c3ccccc3C(=O)[O-])c2)CC1 ZINC000020112844 220312953 /nfs/dbraw/zinc/31/29/53/220312953.db2.gz ABJBPYZIPLDUOH-UHFFFAOYSA-N -1 0 366.417 3.509 50 0 FHAARM O=c1[n-]c(=S)n(-c2cccc(Cl)c2)c2c1CN(C1CCCC1)CN2 ZINC000019939131 220307282 /nfs/dbraw/zinc/30/72/82/220307282.db2.gz PWEJPCKNKOQACK-UHFFFAOYSA-N -1 0 362.886 3.676 50 0 FHAARM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000019994091 220309404 /nfs/dbraw/zinc/30/94/04/220309404.db2.gz CSHQWJSKMZIQLW-UHFFFAOYSA-N -1 0 352.220 3.554 50 0 FHAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)nc2c(Br)cnn21 ZINC000020605854 220336251 /nfs/dbraw/zinc/33/62/51/220336251.db2.gz MFWCLSIKBGGAHO-UHFFFAOYSA-N -1 0 352.575 3.510 50 0 FHAARM CC[C@H](C)[C@H](NC(=O)Cc1csc(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC000030819502 220626457 /nfs/dbraw/zinc/62/64/57/220626457.db2.gz ZTGTZCDGMLAQEQ-BONVTDFDSA-N -1 0 366.870 3.622 50 0 FHAARM O=C([O-])[C@@H]1CCC=C[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000032099079 220656607 /nfs/dbraw/zinc/65/66/07/220656607.db2.gz OTYJADWWVDSUOQ-QUCCMNQESA-N -1 0 363.413 3.945 50 0 FHAARM Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCCCCCC(=O)[O-] ZINC000040288581 220900246 /nfs/dbraw/zinc/90/02/46/220900246.db2.gz OWMPDJDUBYMAOY-UHFFFAOYSA-N -1 0 350.415 3.632 50 0 FHAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2cccnc2)CC(=O)N3)cc1 ZINC000040310149 220900377 /nfs/dbraw/zinc/90/03/77/220900377.db2.gz CPRLELMSPPABBX-OAHLLOKOSA-N -1 0 363.373 3.703 50 0 FHAARM O=C([O-])c1cn(-c2ccc(Cl)cc2)c2c1NC(=O)C[C@H]2c1ccncc1 ZINC000049549932 221024986 /nfs/dbraw/zinc/02/49/86/221024986.db2.gz OPPIYVYCBYVEQZ-AWEZNQCLSA-N -1 0 367.792 3.698 50 0 FHAARM COc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(C)cc2)nc1 ZINC000055621666 221071981 /nfs/dbraw/zinc/07/19/81/221071981.db2.gz JXVYEISBSKXUMB-UHFFFAOYSA-N -1 0 370.430 3.992 50 0 FHAARM O=C([O-])c1cn(-c2cc(F)cc(F)c2)c2c1NC(=O)C[C@@H]2c1ccsc1 ZINC000061718896 221134386 /nfs/dbraw/zinc/13/43/86/221134386.db2.gz MGHVNLNPCUCJAQ-CYBMUJFWSA-N -1 0 374.368 3.989 50 0 FHAARM COc1ccc(Nc2ncccc2S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000064757505 221151386 /nfs/dbraw/zinc/15/13/86/221151386.db2.gz ORVBXJPNQZZQLZ-UHFFFAOYSA-N -1 0 369.446 3.943 50 0 FHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2onc(C)c2C)o1 ZINC000064958599 221158479 /nfs/dbraw/zinc/15/84/79/221158479.db2.gz XVFDEWZIQIGTLI-UHFFFAOYSA-N -1 0 362.407 3.669 50 0 FHAARM CCn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)c2cccnc21 ZINC000065242158 221185895 /nfs/dbraw/zinc/18/58/95/221185895.db2.gz JJEKARMOPBRNJV-UHFFFAOYSA-N -1 0 365.842 3.519 50 0 FHAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3ccno3)s2)cc1 ZINC000065031086 221165318 /nfs/dbraw/zinc/16/53/18/221165318.db2.gz KRIGUKDCUVZBKT-UHFFFAOYSA-N -1 0 350.421 3.603 50 0 FHAARM CSc1cccc([N-]S(=O)(=O)c2cc(-c3cc[nH]n3)cs2)c1 ZINC000065112319 221169772 /nfs/dbraw/zinc/16/97/72/221169772.db2.gz VSWAXCHZOUKCHY-UHFFFAOYSA-N -1 0 351.478 3.661 50 0 FHAARM Cc1sc(-c2nnc(C3CC3)o2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000065149437 221172440 /nfs/dbraw/zinc/17/24/40/221172440.db2.gz HBFHXCVXNMHANF-UHFFFAOYSA-N -1 0 361.448 3.785 50 0 FHAARM O=S(=O)([N-]c1cccc(F)c1)c1ccc(-c2nnc(C3CCC3)o2)o1 ZINC000065246422 221186876 /nfs/dbraw/zinc/18/68/76/221186876.db2.gz OZEJZKNFAWGTRO-UHFFFAOYSA-N -1 0 363.370 3.537 50 0 FHAARM O=C([O-])c1ccccc1-c1c(-c2ccccc2)ncn1CCn1ccnc1 ZINC000065421298 221217308 /nfs/dbraw/zinc/21/73/08/221217308.db2.gz AYDFPNQZDXAPFK-UHFFFAOYSA-N -1 0 358.401 3.812 50 0 FHAARM O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000065476511 221224244 /nfs/dbraw/zinc/22/42/44/221224244.db2.gz WYNFLRFLSXGVMK-UHFFFAOYSA-N -1 0 364.188 3.518 50 0 FHAARM O=C([O-])c1ccccc1CC(=O)Nc1n[nH]cc1-c1ccc(Cl)cc1 ZINC000071289032 221340736 /nfs/dbraw/zinc/34/07/36/221340736.db2.gz QOWJQONNPCUFTO-UHFFFAOYSA-N -1 0 355.781 3.610 50 0 FHAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2sc3ccccc3c2C)cc1 ZINC000071789058 221376323 /nfs/dbraw/zinc/37/63/23/221376323.db2.gz FWKZILRQEFMVRR-UHFFFAOYSA-N -1 0 361.444 3.797 50 0 FHAARM COc1cccc(-c2cccc(C(=O)N3CCCC[C@H]3CC(=O)[O-])c2)c1 ZINC000299754998 533371522 /nfs/dbraw/zinc/37/15/22/533371522.db2.gz BFVVGFVAWUZGMA-SFHVURJKSA-N -1 0 353.418 3.832 50 0 FHAARM O=C([O-])c1ccc2c3c(cccc13)C(=O)N(c1ccc(Cl)cc1)C2=O ZINC000000834477 132378880 /nfs/dbraw/zinc/37/88/80/132378880.db2.gz CMCUSAHHTJPJNG-UHFFFAOYSA-N -1 0 351.745 3.992 50 0 FHAARM O=C([O-])c1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)CS2 ZINC000003028783 132384667 /nfs/dbraw/zinc/38/46/67/132384667.db2.gz HOIRVMPMMUFLSM-UHFFFAOYSA-N -1 0 351.786 3.816 50 0 FHAARM O=C([O-])[C@]1(Cc2cccc(Cl)c2)CCCN(c2ncnc3[nH]ccc32)C1 ZINC000071497884 136139551 /nfs/dbraw/zinc/13/95/51/136139551.db2.gz BQZUWYSPKAVLAG-IBGZPJMESA-N -1 0 370.840 3.525 50 0 FHAARM Cc1cnc(C)nc1N1CCC(Cc2ccc(Cl)cc2)(C(=O)[O-])CC1 ZINC000071707784 136139634 /nfs/dbraw/zinc/13/96/34/136139634.db2.gz HLBMHAYYFHAMKU-UHFFFAOYSA-N -1 0 359.857 3.661 50 0 FHAARM O=C([O-])[C@]1(CCCc2ccccc2)CCCN(c2ncnc3[nH]ccc32)C1 ZINC000071756854 136140316 /nfs/dbraw/zinc/14/03/16/136140316.db2.gz CJUYAPYVARTYDA-OAQYLSRUSA-N -1 0 364.449 3.652 50 0 FHAARM Cn1c(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)ccc1-c1ccccc1 ZINC000091625639 221774578 /nfs/dbraw/zinc/77/45/78/221774578.db2.gz ZWTLQOONTLZZQI-RBUKOAKNSA-N -1 0 374.440 3.633 50 0 FHAARM CCc1nnc(-c2[nH]c(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2C)o1 ZINC000096379430 222117225 /nfs/dbraw/zinc/11/72/25/222117225.db2.gz ADFBSBSAUCLECP-UHFFFAOYSA-N -1 0 374.466 3.662 50 0 FHAARM O=C([O-])/C=C\c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000096742793 222129023 /nfs/dbraw/zinc/12/90/23/222129023.db2.gz AFZDHUBWROYKID-UTCJRWHESA-N -1 0 372.229 3.892 50 0 FHAARM CCOC(=O)c1sc([N-]S(=O)(=O)/C=C\c2ccccc2)cc1C ZINC000096873024 222136524 /nfs/dbraw/zinc/13/65/24/222136524.db2.gz GOVZNGFLPKANNT-KTKRTIGZSA-N -1 0 351.449 3.646 50 0 FHAARM O=C([O-])c1cc(/C=C\c2ccc(-n3cncn3)c(F)c2)nc2ccccc21 ZINC000098042539 222222925 /nfs/dbraw/zinc/22/29/25/222222925.db2.gz WGRJFYNUTDMEMX-ALCCZGGFSA-N -1 0 360.348 3.823 50 0 FHAARM Cn1c(=O)c(C(=O)Nc2ccc(Cl)cc2Cl)c([O-])c2ccccc21 ZINC000100498463 222245416 /nfs/dbraw/zinc/24/54/16/222245416.db2.gz SCUAWRQKOOKITA-UHFFFAOYSA-N -1 0 363.200 3.803 50 0 FHAARM CCCCn1c(=O)c(C(=O)NCc2ccccc2F)c([O-])c2ccccc21 ZINC000100516034 222246788 /nfs/dbraw/zinc/24/67/88/222246788.db2.gz ORIWTQZETGOLKD-UHFFFAOYSA-N -1 0 368.408 3.576 50 0 FHAARM CC(C)Cn1c(=O)c(C(=O)Nc2ccc(F)c(F)c2)c([O-])c2ccccc21 ZINC000100693393 222249037 /nfs/dbraw/zinc/24/90/37/222249037.db2.gz VUZRJANKNFJMBG-UHFFFAOYSA-N -1 0 372.371 3.894 50 0 FHAARM Cc1csc(-n2[n-]c(C)c(CCC(=O)Nc3cccc(C)c3C)c2=O)n1 ZINC000101832759 222285281 /nfs/dbraw/zinc/28/52/81/222285281.db2.gz LVWPQALDZSNCKL-UHFFFAOYSA-N -1 0 370.478 3.839 50 0 FHAARM Cc1nc(-n2[n-]c(C)c(CC(=O)Nc3ccc(C)c(C)c3)c2=O)sc1C ZINC000101831571 222285394 /nfs/dbraw/zinc/28/53/94/222285394.db2.gz RQXIJLATDOMFMJ-UHFFFAOYSA-N -1 0 370.478 3.758 50 0 FHAARM CC(C)c1cccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)c1 ZINC000101965831 222286915 /nfs/dbraw/zinc/28/69/15/222286915.db2.gz BDJBRQRKQDRVMC-UHFFFAOYSA-N -1 0 353.447 3.598 50 0 FHAARM CCn1c(=O)c2ccc(C(=O)Nc3cccc(C)c3C)cc2[n-]c1=S ZINC000102333636 222294129 /nfs/dbraw/zinc/29/41/29/222294129.db2.gz OYQFVRCVIOQIAZ-UHFFFAOYSA-N -1 0 353.447 3.574 50 0 FHAARM CCn1ccc(-c2nc(=O)c3sc4nc(C(F)F)cc(C)c4c3[n-]2)n1 ZINC000006871401 263347920 /nfs/dbraw/zinc/34/79/20/263347920.db2.gz JLEKNUMCDWSZEO-UHFFFAOYSA-N -1 0 361.377 3.662 50 0 FHAARM O=C([O-])CSc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000018195140 263373374 /nfs/dbraw/zinc/37/33/74/263373374.db2.gz BGCAWXWDSRHERZ-UHFFFAOYSA-N -1 0 351.811 3.534 50 0 FHAARM C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@]2(O)CCC(=O)[O-] ZINC000253524978 525349431 /nfs/dbraw/zinc/34/94/31/525349431.db2.gz QIZQZYDEIVNNAA-UORBNBSKSA-N -1 0 362.510 3.906 50 0 FHAARM O=C([O-])c1ccc(CNC(=O)Cc2csc(-c3ccccc3F)n2)cc1 ZINC000020734169 526366499 /nfs/dbraw/zinc/36/64/99/526366499.db2.gz IWGICHMQNGWRHI-UHFFFAOYSA-N -1 0 370.405 3.506 50 0 FHAARM COc1ccc(-c2csc3ncnc(N4CCC[C@H](C(=O)[O-])C4)c23)cc1 ZINC000003391604 536501095 /nfs/dbraw/zinc/50/10/95/536501095.db2.gz IZDHALAILVWJKW-ZDUSSCGKSA-N -1 0 369.446 3.668 50 0 FHAARM COc1cccc(-c2nc3ccccc3c(N3C[C@H](C)O[C@@H](C)C3)n2)c1[O-] ZINC000002235906 537070172 /nfs/dbraw/zinc/07/01/72/537070172.db2.gz QIRDYARJEYCALQ-KBPBESRZSA-N -1 0 365.433 3.625 50 0 FHAARM Cc1cccc(C)c1OCCSc1nc2ccccc2n1CC(=O)[O-] ZINC000002051956 560186464 /nfs/dbraw/zinc/18/64/64/560186464.db2.gz ZAHFRMHMWCBLOL-UHFFFAOYSA-N -1 0 356.447 3.909 50 0 in-vitro FHAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C\c1ccc(Cl)cc1)CC3 ZINC000006888975 568103763 /nfs/dbraw/zinc/10/37/63/568103763.db2.gz FJHCBHWAPYKHPR-XFXZXTDPSA-N -1 0 352.777 3.692 50 0 FHAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000000627294 570440083 /nfs/dbraw/zinc/44/00/83/570440083.db2.gz ALFBLQJAAFEFCE-HOTGVXAUSA-N -1 0 372.465 3.579 50 0 FHAARM CCc1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cc1 ZINC000095067935 570451222 /nfs/dbraw/zinc/45/12/22/570451222.db2.gz MKGQWSOANIYUSC-UHFFFAOYSA-N -1 0 358.232 3.951 50 0 FHAARM CCN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1c[nH]nc1-c1cccc(F)c1 ZINC000095367030 570455663 /nfs/dbraw/zinc/45/56/63/570455663.db2.gz KALSFTJPFJNDGT-UHFFFAOYSA-N -1 0 367.380 3.576 50 0 FHAARM O=C([O-])C1(Oc2ccc3ccccc3c2)CCN(c2nccs2)CC1 ZINC000095516885 570466286 /nfs/dbraw/zinc/46/62/86/570466286.db2.gz VIEWKPMVBJKHSV-UHFFFAOYSA-N -1 0 354.431 3.799 50 0 FHAARM Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)N[C@H](C(=O)[O-])c1cccc(F)c1 ZINC000095526204 570468916 /nfs/dbraw/zinc/46/89/16/570468916.db2.gz YTMKJHUQJDFCOQ-FQEVSTJZSA-N -1 0 368.408 3.717 50 0 FHAARM CCN1c2ccc(S(=O)(=O)Nc3ccccc3C)c3cccc(c23)C1=O ZINC000001448659 570500553 /nfs/dbraw/zinc/50/05/53/570500553.db2.gz ZDTKJKQIFQXABH-UHFFFAOYSA-N -1 0 366.442 3.929 50 0 FHAARM O=C([O-])[C@@H](CCSCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000002045612 570512083 /nfs/dbraw/zinc/51/20/83/570512083.db2.gz PFKWFGQPWRKRES-QGZVFWFLSA-N -1 0 359.447 3.690 50 0 FHAARM Cc1ccccc1OCCSc1nc2ccccc2n1CCC(=O)[O-] ZINC000002051988 570512203 /nfs/dbraw/zinc/51/22/03/570512203.db2.gz FTDDTOVSYOMCTM-UHFFFAOYSA-N -1 0 356.447 3.991 50 0 FHAARM CCOc1ccc(Oc2c(C)oc3cc(OCC(=O)[O-])ccc3c2=O)cc1 ZINC000002124412 570514597 /nfs/dbraw/zinc/51/45/97/570514597.db2.gz MBPKZVOTPYESHD-UHFFFAOYSA-N -1 0 370.357 3.756 50 0 biogenic FHAARM CCOC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CCCCCC2 ZINC000002737478 570528841 /nfs/dbraw/zinc/52/88/41/570528841.db2.gz ICRUDRZPPANODG-UHFFFAOYSA-N -1 0 367.467 3.777 50 0 FHAARM CN1C(=O)S/C(=C\c2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000002971635 570545571 /nfs/dbraw/zinc/54/55/71/570545571.db2.gz FGHHAGGOVYGTHS-YBEGLDIGSA-N -1 0 369.398 3.630 50 0 FHAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(C(=O)Oc2ccccc2)cc1 ZINC000003039548 570550146 /nfs/dbraw/zinc/55/01/46/570550146.db2.gz PLKVJIUTHVIPLU-UHFFFAOYSA-N -1 0 361.353 3.856 50 0 FHAARM COc1ccc(CCn2c(C)c(C(=O)[O-])cc2-c2cccnc2)cc1OC ZINC000004237785 570581726 /nfs/dbraw/zinc/58/17/26/570581726.db2.gz DTRQBSSNBJLFJB-UHFFFAOYSA-N -1 0 366.417 3.817 50 0 FHAARM Cc1oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2c1C(=O)[O-] ZINC000004660894 570599312 /nfs/dbraw/zinc/59/93/12/570599312.db2.gz UZVVWRBCUSWUON-UHFFFAOYSA-N -1 0 365.794 3.894 50 0 in-vitro FHAARM COc1cc(/C=C/[N+](=O)[O-])cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000004893105 570612475 /nfs/dbraw/zinc/61/24/75/570612475.db2.gz FMWGXEVHJLEKHE-AATRIKPKSA-N -1 0 363.753 3.873 50 0 FHAARM CCOc1ccc(-c2nc(C)c(C(=O)N3CCCC[C@@H]3C(=O)[O-])s2)cc1 ZINC000136472676 570621829 /nfs/dbraw/zinc/62/18/29/570621829.db2.gz MDWFDSIUJJIAOZ-OAHLLOKOSA-N -1 0 374.462 3.597 50 0 FHAARM O=c1nc(CSc2nccn2-c2cccc(F)c2)[n-]c2ccsc21 ZINC000005174769 570628665 /nfs/dbraw/zinc/62/86/65/570628665.db2.gz UFVNANDQRAQMGW-UHFFFAOYSA-N -1 0 358.423 3.602 50 0 FHAARM COc1ccc(N[C@H](C)c2ccc(F)c(F)c2)cc1NS(C)(=O)=O ZINC000078671630 570633890 /nfs/dbraw/zinc/63/38/90/570633890.db2.gz DJNSFDUNUSILQA-SNVBAGLBSA-N -1 0 356.394 3.518 50 0 FHAARM COc1cc(S(=O)(=O)[N-]c2cccc(C)c2C)c(OC)cc1Cl ZINC000008132483 570677898 /nfs/dbraw/zinc/67/78/98/570677898.db2.gz RZFUDPYMKBIVML-UHFFFAOYSA-N -1 0 355.843 3.775 50 0 FHAARM O=C([O-])c1ccc2c(c1)NC(=O)[C@@H](CSCc1ccccc1Cl)N2 ZINC000005660296 570689434 /nfs/dbraw/zinc/68/94/34/570689434.db2.gz VCAUCCLVKJDYIQ-OAHLLOKOSA-N -1 0 362.838 3.704 50 0 FHAARM Cc1nc([N-]c2ncc3c(n2)C[C@H](c2ccco2)CC3=O)nc2ccccc12 ZINC000009313428 570693781 /nfs/dbraw/zinc/69/37/81/570693781.db2.gz SOWMNGYOGMGOPK-ZDUSSCGKSA-N -1 0 371.400 3.978 50 0 FHAARM CCc1nc2sc([C@H](c3cccc(Cl)c3)N3CCCC3)c([O-])n2n1 ZINC000022852935 570694631 /nfs/dbraw/zinc/69/46/31/570694631.db2.gz XVXQGMHOLVDBRN-AWEZNQCLSA-N -1 0 362.886 3.897 50 0 FHAARM CCC(=O)Nc1ccccc1-c1nnc(SCc2ccccc2)[n-]c1=O ZINC000009709639 570696571 /nfs/dbraw/zinc/69/65/71/570696571.db2.gz BVDUUBVULFMAJH-UHFFFAOYSA-N -1 0 366.446 3.885 50 0 FHAARM COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)[O-])cc1OC ZINC000004823103 570775021 /nfs/dbraw/zinc/77/50/21/570775021.db2.gz LPZIQSMTTSMBDK-UHFFFAOYSA-N -1 0 357.406 3.952 50 0 FHAARM Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)[n-]c2=O)cc1 ZINC000032778594 570800295 /nfs/dbraw/zinc/80/02/95/570800295.db2.gz GADHFQAKDNYGBZ-UHFFFAOYSA-N -1 0 366.446 3.592 50 0 FHAARM O=C([O-])[C@]12CC[C@H]1CN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000708324229 570804820 /nfs/dbraw/zinc/80/48/20/570804820.db2.gz BYEWVSCMZIHATN-FPTDNZKUSA-N -1 0 363.413 3.732 50 0 FHAARM Cn1c(=O)c(-c2nc(-c3ccc(F)c(Cl)c3)no2)c([O-])c2ccccc21 ZINC000101725597 570822841 /nfs/dbraw/zinc/82/28/41/570822841.db2.gz ACIHKPNYEJOHCU-UHFFFAOYSA-N -1 0 371.755 3.754 50 0 FHAARM COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000047060373 570879226 /nfs/dbraw/zinc/87/92/26/570879226.db2.gz VUUCPYLWKHMEGZ-LLVKDONJSA-N -1 0 369.446 3.806 50 0 FHAARM Cc1nc2sc(-c3ccccc3)cc2c(N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000020318877 570914426 /nfs/dbraw/zinc/91/44/26/570914426.db2.gz XXEKFMPZMLMJMJ-CQSZACIVSA-N -1 0 353.447 3.968 50 0 FHAARM O=C([O-])CCCn1c(=O)c2ccccc2nc1/C=C/c1cccc(F)c1 ZINC000046102288 570926195 /nfs/dbraw/zinc/92/61/95/570926195.db2.gz DLDLKUMGSKEREP-ZHACJKMWSA-N -1 0 352.365 3.571 50 0 FHAARM O=C([O-])CCCn1c(=O)c2ccccc2nc1/C=C/c1ccccc1F ZINC000046102290 570926218 /nfs/dbraw/zinc/92/62/18/570926218.db2.gz BNCKGZRRSPDOHV-VAWYXSNFSA-N -1 0 352.365 3.571 50 0 FHAARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000022957582 570954085 /nfs/dbraw/zinc/95/40/85/570954085.db2.gz IUENCDWAKJWQGX-UHFFFAOYSA-N -1 0 359.325 3.589 50 0 FHAARM O=S(=O)([N-]c1cc(F)ccc1OCC(F)(F)F)c1cccs1 ZINC000023054870 570955577 /nfs/dbraw/zinc/95/55/77/570955577.db2.gz UGRDTXPACDULOL-UHFFFAOYSA-N -1 0 355.334 3.629 50 0 FHAARM Cc1cc(=O)n2[n-]c(Nc3ccccc3)c(NC(=O)c3ccccc3)c2n1 ZINC000112579852 570959184 /nfs/dbraw/zinc/95/91/84/570959184.db2.gz RBFQBXXWHMEZMJ-UHFFFAOYSA-N -1 0 359.389 3.739 50 0 FHAARM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccccc2OC(F)F)no1 ZINC000225698287 571056841 /nfs/dbraw/zinc/05/68/41/571056841.db2.gz OBXLUQUTDUBTPN-UHFFFAOYSA-N -1 0 360.382 3.515 50 0 FHAARM COc1ccc2[nH]cc(CCn3c(=O)c4ccccc4[n-]c3=S)c2c1 ZINC000009625927 571074671 /nfs/dbraw/zinc/07/46/71/571074671.db2.gz QAMPLJVAZVYHCJ-UHFFFAOYSA-N -1 0 351.431 3.792 50 0 FHAARM CCOc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC000001430708 571075170 /nfs/dbraw/zinc/07/51/70/571075170.db2.gz BQGFLIFGQNIQPT-UHFFFAOYSA-N -1 0 365.842 3.724 50 0 FHAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000039959780 571089675 /nfs/dbraw/zinc/08/96/75/571089675.db2.gz IVLQWSYPQAZKEO-KRWDZBQOSA-N -1 0 357.406 3.999 50 0 FHAARM O=c1oc2ccccc2c([O-])c1Cc1cc(Cl)c2cccnc2c1O ZINC000084585671 571091162 /nfs/dbraw/zinc/09/11/62/571091162.db2.gz XDZORBRRRCXXCV-UHFFFAOYSA-N -1 0 353.761 3.997 50 0 FHAARM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2ccc(F)cc2)cc1 ZINC000004600850 571107155 /nfs/dbraw/zinc/10/71/55/571107155.db2.gz UQPJPMNXHOLSNM-GOSISDBHSA-N -1 0 357.425 3.998 50 0 FHAARM O=C([O-])C[C@@H]1CCCN1C(=O)CCCc1cc(Cl)sc1Cl ZINC000263081133 571121960 /nfs/dbraw/zinc/12/19/60/571121960.db2.gz ZDHQHBWCJCHMGN-JTQLQIEISA-N -1 0 350.267 3.843 50 0 FHAARM O=C([O-])/C(=C/C=C\c1ccccc1)NC(=O)c1cccc(Br)c1 ZINC000210953168 571129598 /nfs/dbraw/zinc/12/95/98/571129598.db2.gz DEHHJCGFKVGNDM-NQTKTJBGSA-N -1 0 372.218 3.861 50 0 FHAARM C[C@H](C1CC1)n1[nH]ccc1=NC(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000252452731 571131106 /nfs/dbraw/zinc/13/11/06/571131106.db2.gz YQJBSFFFZODPPB-OAHLLOKOSA-N -1 0 359.429 3.759 50 0 FHAARM CCOC(=O)C[C@@H](c1cccc(Cl)c1)c1c([O-])c2ccccc2[nH]c1=O ZINC000072403161 571139952 /nfs/dbraw/zinc/13/99/52/571139952.db2.gz WYGFBOARBXYUMK-HNNXBMFYSA-N -1 0 371.820 3.972 50 0 FHAARM COc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])n2)cc1 ZINC000001003147 571143124 /nfs/dbraw/zinc/14/31/24/571143124.db2.gz HMYHUDKAKYRGNH-KGLIPLIRSA-N -1 0 360.435 3.648 50 0 FHAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000006861858 571161123 /nfs/dbraw/zinc/16/11/23/571161123.db2.gz BRNUHOSGBYYTJJ-NXEZZACHSA-N -1 0 360.635 3.932 50 0 FHAARM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(-c2cc[nH]n2)s1 ZINC000075351819 571162082 /nfs/dbraw/zinc/16/20/82/571162082.db2.gz XAPNGLGDYRDQQF-UHFFFAOYSA-N -1 0 353.856 3.901 50 0 FHAARM COc1cc2nc(=S)[nH]c(NCc3ccc4c(c3)OCO4)c2cc1OC ZINC000004918904 571166370 /nfs/dbraw/zinc/16/63/70/571166370.db2.gz QGDVLSIGIJEXMV-UHFFFAOYSA-N -1 0 371.418 3.650 50 0 FHAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000237041036 571167285 /nfs/dbraw/zinc/16/72/85/571167285.db2.gz WVGCWWSXWHIMBC-RTBURBONSA-N -1 0 353.418 3.511 50 0 FHAARM CCOC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CC[C@@H](CC)C2 ZINC000005953986 571169286 /nfs/dbraw/zinc/16/92/86/571169286.db2.gz UKRSPEBFEYJXCA-LLVKDONJSA-N -1 0 367.467 3.633 50 0 FHAARM COc1ccc(/C=C\C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cc1 ZINC000006006047 571170483 /nfs/dbraw/zinc/17/04/83/571170483.db2.gz OUNVWYSIBMTJAE-FLIBITNWSA-N -1 0 357.431 3.986 50 0 FHAARM COc1ccc(-c2oc3ccc(C)cc3c(=O)c2O[C@H](C)C(=O)[O-])cc1 ZINC000001951622 571173792 /nfs/dbraw/zinc/17/37/92/571173792.db2.gz NABFIHQIJTXQLN-GFCCVEGCSA-N -1 0 354.358 3.629 50 0 FHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1c(-c2ccccc2)nc2sccn21 ZINC000012535818 571175963 /nfs/dbraw/zinc/17/59/63/571175963.db2.gz XJCXSBZUZOIPNQ-KBPBESRZSA-N -1 0 367.430 3.668 50 0 FHAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](CC)c2ccccc2)cc1 ZINC000003624691 571186123 /nfs/dbraw/zinc/18/61/23/571186123.db2.gz SQHAZDASRNOZBN-RBUKOAKNSA-N -1 0 355.434 3.911 50 0 FHAARM Cc1ccc(C)c(OCC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000003626961 571186240 /nfs/dbraw/zinc/18/62/40/571186240.db2.gz YJVDOQKVTYQYOD-INIZCTEOSA-N -1 0 361.825 3.668 50 0 FHAARM O=c1[nH]c2ccccc2c([O-])c1-c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000075536636 571195318 /nfs/dbraw/zinc/19/53/18/571195318.db2.gz MRHBZAPGXZFCAA-UHFFFAOYSA-N -1 0 357.728 3.743 50 0 FHAARM COc1ccc(Cc2c(C(=O)[O-])c(=O)cc(C)n2Cc2ccccc2)cc1 ZINC000072446975 571197125 /nfs/dbraw/zinc/19/71/25/571197125.db2.gz HSQHEIXKSHBGLI-UHFFFAOYSA-N -1 0 363.413 3.503 50 0 FHAARM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccccc2Br)N1 ZINC000004012523 571204111 /nfs/dbraw/zinc/20/41/11/571204111.db2.gz KWMNDHRTULLQGP-CVEARBPZSA-N -1 0 371.234 3.619 50 0 biogenic FHAARM CS(=O)(=O)c1ccc(-c2csc(-c3cccc(C(=O)[O-])c3)n2)cc1 ZINC000089490116 571204679 /nfs/dbraw/zinc/20/46/79/571204679.db2.gz GYQWKJXBHRSTMF-UHFFFAOYSA-N -1 0 359.428 3.579 50 0 FHAARM O=C([O-])c1ccnc(-c2ccnc(NCc3coc(-c4ccccc4)n3)n2)c1 ZINC000077321642 571207617 /nfs/dbraw/zinc/20/76/17/571207617.db2.gz ORXINLDTNOPYGN-UHFFFAOYSA-N -1 0 373.372 3.504 50 0 FHAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1COc1cc(C)ccc1C ZINC000036612338 571257879 /nfs/dbraw/zinc/25/78/79/571257879.db2.gz WVBGUDRQZQPLDD-QFBILLFUSA-N -1 0 373.474 3.679 50 0 FHAARM Cc1ccc(COc2ccc3c(C)c(CC(=O)[O-])c(=O)oc3c2C)cc1 ZINC000002092835 571276839 /nfs/dbraw/zinc/27/68/39/571276839.db2.gz UBOSGWLARRGJKR-UHFFFAOYSA-N -1 0 352.386 3.924 50 0 biogenic FHAARM O=C([O-])CCN(C(=O)c1sc2ccccc2c1Cl)C1CCOCC1 ZINC000238081500 571277426 /nfs/dbraw/zinc/27/74/26/571277426.db2.gz IHFLONSEIVLGON-UHFFFAOYSA-N -1 0 367.854 3.651 50 0 FHAARM CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1cccc(N2CCOC2=O)c1 ZINC000252475191 571279669 /nfs/dbraw/zinc/27/96/69/571279669.db2.gz VOPDXXMSMOJGNI-UHFFFAOYSA-N -1 0 373.796 3.831 50 0 FHAARM CCN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000170673361 571284951 /nfs/dbraw/zinc/28/49/51/571284951.db2.gz AIGIHVBDFDOJJF-UHFFFAOYSA-N -1 0 373.405 3.892 50 0 FHAARM CCOc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1OCC ZINC000007709503 571286145 /nfs/dbraw/zinc/28/61/45/571286145.db2.gz BOCCXDJSMZEYIP-UHFFFAOYSA-N -1 0 372.446 3.833 50 0 FHAARM O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)s2)ccc1Cl ZINC000037642018 571289430 /nfs/dbraw/zinc/28/94/30/571289430.db2.gz WUJYGZYXMPFMQU-UHFFFAOYSA-N -1 0 352.220 3.554 50 0 FHAARM C[C@H](C(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257356542 571311640 /nfs/dbraw/zinc/31/16/40/571311640.db2.gz IXDBAXFCCXETKU-HAQCAZJISA-N -1 0 364.526 3.698 50 0 FHAARM CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)[O-] ZINC000027640640 571319337 /nfs/dbraw/zinc/31/93/37/571319337.db2.gz FVPKMMQYALWZHV-AKHDSKFASA-N -1 0 356.503 3.699 50 0 in-vitro FHAARM O=C([O-])c1ccc([C@H]2SCC(=O)Nc3c2cnn3-c2ccccc2)cc1 ZINC000095478026 571331000 /nfs/dbraw/zinc/33/10/00/571331000.db2.gz WXPGFZXGDKBFSD-QGZVFWFLSA-N -1 0 365.414 3.995 50 0 FHAARM CCCCc1ccc(C(=O)N[C@H](C[C@@H]2CNc3ccccc32)C(=O)[O-])cc1 ZINC000670417857 571339157 /nfs/dbraw/zinc/33/91/57/571339157.db2.gz VKODPLHWBVQGSA-YLJYHZDGSA-N -1 0 366.461 3.812 50 0 FHAARM Cc1nn(Cc2ccccc2F)c(C)c1[N-]S(=O)(=O)c1cccs1 ZINC000002792262 571341042 /nfs/dbraw/zinc/34/10/42/571341042.db2.gz IFKBMIKEDLSUDW-UHFFFAOYSA-N -1 0 365.455 3.550 50 0 FHAARM C[C@@H]1CCCC[C@H]1NC(=O)CCCn1c(=O)c2ccccc2[n-]c1=S ZINC000002972092 571343115 /nfs/dbraw/zinc/34/31/15/571343115.db2.gz PUYPSIUVFXFIKK-UKRRQHHQSA-N -1 0 359.495 3.534 50 0 FHAARM O=C(c1cc(Cl)c2nc3ccsc3c(=O)n2c1)c1cc(F)ccc1[O-] ZINC000003383082 571348821 /nfs/dbraw/zinc/34/88/21/571348821.db2.gz IKRDVPXTHPYVFK-UHFFFAOYSA-N -1 0 374.780 3.638 50 0 FHAARM CCOc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1cccc(C)c1 ZINC000003642602 571351923 /nfs/dbraw/zinc/35/19/23/571351923.db2.gz WGTNRVFHDJIHAW-QFBILLFUSA-N -1 0 373.474 3.761 50 0 FHAARM O=C([O-])C1CCN(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000263461958 600557124 /nfs/dbraw/zinc/55/71/24/600557124.db2.gz DVXBTXRVKFOFLJ-UHFFFAOYSA-N -1 0 358.369 3.947 50 0 FHAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000136517933 938829610 /nfs/dbraw/zinc/82/96/10/938829610.db2.gz DBUUMAIBMOTHRA-ZDUSSCGKSA-N -1 0 350.827 3.543 50 0 FHAARM CC1CCC(NC(=O)/C=C/c2cnc(C(C)(C)C)s2)(C(=O)[O-])CC1 ZINC000170592076 939032944 /nfs/dbraw/zinc/03/29/44/939032944.db2.gz BDONYPPMDMQPGY-AATRIKPKSA-N -1 0 350.484 3.604 50 0 FHAARM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)N=c3ccc(C(F)(F)F)n[n-]3)C2)cc1 ZINC000332708228 945272583 /nfs/dbraw/zinc/27/25/83/945272583.db2.gz YETLHLVAXITUDM-OCCSQVGLSA-N -1 0 364.371 3.636 50 0 FHAARM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2sc3cc(Cl)ccc3c2Cl)C1 ZINC000262443363 946599037 /nfs/dbraw/zinc/59/90/37/946599037.db2.gz GYWSZQCZRJCUGN-SCZZXKLOSA-N -1 0 374.245 3.522 50 0 FHAARM CC(C)[C@H](NC(=O)c1cn(Cc2ccccc2)c2ccccc12)C(=O)[O-] ZINC000217689178 222673414 /nfs/dbraw/zinc/67/34/14/222673414.db2.gz GOPZADWVSFXEAM-IBGZPJMESA-N -1 0 350.418 3.529 50 0 FHAARM Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000000094948 219305097 /nfs/dbraw/zinc/30/50/97/219305097.db2.gz ZAUOJLMHYORADD-ZDUSSCGKSA-N -1 0 350.802 3.533 50 0 FHAARM O=C([O-])c1ccccc1NC(=S)NC(=O)c1ccc2ccccc2c1 ZINC000000554904 219305399 /nfs/dbraw/zinc/30/53/99/219305399.db2.gz PZUXRAANMXMLMS-UHFFFAOYSA-N -1 0 350.399 3.665 50 0 FHAARM CCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cccs3)cc21 ZINC000000793394 219321579 /nfs/dbraw/zinc/32/15/79/219321579.db2.gz GCZMWCPKGCNKSV-UHFFFAOYSA-N -1 0 365.432 3.780 50 0 FHAARM Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000000898012 219337779 /nfs/dbraw/zinc/33/77/79/219337779.db2.gz GADVFMQVBYFOGY-UHFFFAOYSA-N -1 0 372.764 3.960 50 0 FHAARM CN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000001113923 219371822 /nfs/dbraw/zinc/37/18/22/219371822.db2.gz RONAKHQIKPOREN-UHFFFAOYSA-N -1 0 374.245 3.512 50 0 FHAARM CC(=C([O-])c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000001117124 219372655 /nfs/dbraw/zinc/37/26/55/219372655.db2.gz PQADYRGXHZCNLA-GFCCVEGCSA-N -1 0 367.264 3.803 50 0 FHAARM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1cccc2ccccc21 ZINC000001156364 219382063 /nfs/dbraw/zinc/38/20/63/219382063.db2.gz YHZJJINSSFDFQH-UHFFFAOYSA-N -1 0 364.426 3.973 50 0 FHAARM O=C([O-])COc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000001177666 219385121 /nfs/dbraw/zinc/38/51/21/219385121.db2.gz RJAYJJCXTBWCCE-UHFFFAOYSA-N -1 0 361.397 3.921 50 0 FHAARM O=C(Nc1ccccc1C(F)(F)F)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000001244348 219392378 /nfs/dbraw/zinc/39/23/78/219392378.db2.gz HZCSENMHZVNOBN-UHFFFAOYSA-N -1 0 374.318 3.534 50 0 FHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC000238064640 222913436 /nfs/dbraw/zinc/91/34/36/222913436.db2.gz FFSUATYRIKBTKS-RTBURBONSA-N -1 0 367.420 3.574 50 0 FHAARM O=C([O-])[C@@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)c1ccccc1 ZINC000002976506 219479195 /nfs/dbraw/zinc/47/91/95/219479195.db2.gz LGGPJVGPOUSKLY-IBGZPJMESA-N -1 0 350.370 3.877 50 0 FHAARM CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)[O-])cc1 ZINC000004550486 219585231 /nfs/dbraw/zinc/58/52/31/219585231.db2.gz MEKJCJOZRBFCMJ-LBPRGKRZSA-N -1 0 372.446 3.689 50 0 FHAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccccc2Cl)cc1Cl ZINC000005120997 219650868 /nfs/dbraw/zinc/65/08/68/219650868.db2.gz CSYBXLIJIVVPGZ-UHFFFAOYSA-N -1 0 362.234 3.811 50 0 FHAARM C[C@H](C(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C ZINC000257349394 223074752 /nfs/dbraw/zinc/07/47/52/223074752.db2.gz NVSBPOIDOGLQAT-BABOBDHUSA-N -1 0 362.510 3.906 50 0 FHAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000299741930 223079714 /nfs/dbraw/zinc/07/97/14/223079714.db2.gz HUOMFWMERTVBRK-YUELXQCFSA-N -1 0 361.829 3.608 50 0 FHAARM COc1cc(-c2cc(C(=O)[O-])c3nc(-c4ccccc4)[nH]c3n2)ccc1O ZINC000011694703 219928140 /nfs/dbraw/zinc/92/81/40/219928140.db2.gz WOQKRGFQTFXIPQ-UHFFFAOYSA-N -1 0 361.357 3.704 50 0 FHAARM O=C([O-])c1cccc(CN2C(=S)N=NC2c2ccc3ccccc3n2)c1 ZINC000012408241 219989887 /nfs/dbraw/zinc/98/98/87/219989887.db2.gz QHANQUAWTXMZOZ-UHFFFAOYSA-N -1 0 362.414 3.529 50 0 FHAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000012521411 220002067 /nfs/dbraw/zinc/00/20/67/220002067.db2.gz HBYQXBCGSWWSFH-UHFFFAOYSA-N -1 0 359.325 3.513 50 0 FHAARM O=C([O-])C1(CC(=O)Nc2ccc3c(c2)nc2n3CCCCC2)CCCC1 ZINC000012632189 220015575 /nfs/dbraw/zinc/01/55/75/220015575.db2.gz UEAWJCSCCBMLSE-UHFFFAOYSA-N -1 0 355.438 3.736 50 0 FHAARM COc1ccc(-c2c3c(nc(C)c2C(C)=O)sc2c3[n-]nnc2=O)cc1 ZINC000013108886 220057956 /nfs/dbraw/zinc/05/79/56/220057956.db2.gz GEDMFGNDCUYCGJ-UHFFFAOYSA-N -1 0 366.402 3.527 50 0 FHAARM CCCOC(=O)c1ccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000013251508 220062667 /nfs/dbraw/zinc/06/26/67/220062667.db2.gz WIWIDUOJFBCHBO-NRFANRHFSA-N -1 0 369.417 3.625 50 0 FHAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000013320372 220063832 /nfs/dbraw/zinc/06/38/32/220063832.db2.gz LVTNBUDAGKFJFO-TUNPWDSISA-N -1 0 355.478 3.605 50 0 FHAARM O=C([O-])C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1cccs1 ZINC000013389276 220066419 /nfs/dbraw/zinc/06/64/19/220066419.db2.gz QQQROZOXSOFKDQ-GFCCVEGCSA-N -1 0 357.353 3.642 50 0 FHAARM O=S(=O)([N-]c1ccccc1OCC(F)(F)F)c1ccc2c(c1)CCC2 ZINC000014205752 220116822 /nfs/dbraw/zinc/11/68/22/220116822.db2.gz UMNXXMMYLGXKTF-UHFFFAOYSA-N -1 0 371.380 3.917 50 0 FHAARM Cc1ccc(C(C)C)cc1O[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000014632465 220128741 /nfs/dbraw/zinc/12/87/41/220128741.db2.gz XOEWSOPBGSTJTO-HOTGVXAUSA-N -1 0 363.454 3.960 50 0 FHAARM Cc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)ccc1Br ZINC000016129521 220178420 /nfs/dbraw/zinc/17/84/20/220178420.db2.gz AWPJSGCKIXJDBG-UHFFFAOYSA-N -1 0 362.195 3.837 50 0 FHAARM CCOC(=O)c1sc(NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1C ZINC000016481907 220185292 /nfs/dbraw/zinc/18/52/92/220185292.db2.gz QKVRQEUIQIFEMT-UHFFFAOYSA-N -1 0 367.467 3.987 50 0 FHAARM CCCOc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000016649887 220189845 /nfs/dbraw/zinc/18/98/45/220189845.db2.gz MFSPCZIGDXLTKE-UHFFFAOYSA-N -1 0 354.859 3.941 50 0 FHAARM CCc1sc(NC(=O)CCC(=O)[O-])c(C(=O)OC)c1-c1ccccc1 ZINC000017074403 220203417 /nfs/dbraw/zinc/20/34/17/220203417.db2.gz FSESSEBVTOCVAP-UHFFFAOYSA-N -1 0 361.419 3.567 50 0 FHAARM O=C([O-])C=Cc1cccc(N2C(=O)C[C@@H](Cc3ccc(Cl)cc3)C2=O)c1 ZINC000019884801 220302946 /nfs/dbraw/zinc/30/29/46/220302946.db2.gz ZRFQNSLAAOXRMF-RZIFZGNASA-N -1 0 369.804 3.560 50 0 FHAARM Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(C(=O)[O-])cc1)CCCC3 ZINC000020068912 220310527 /nfs/dbraw/zinc/31/05/27/220310527.db2.gz AQXSRCMGLZTEEU-UHFFFAOYSA-N -1 0 367.430 3.708 50 0 FHAARM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000020574837 220332872 /nfs/dbraw/zinc/33/28/72/220332872.db2.gz XWVZBUDKFGGWHE-UHFFFAOYSA-N -1 0 370.858 3.571 50 0 FHAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)s2)on1 ZINC000020978386 220345992 /nfs/dbraw/zinc/34/59/92/220345992.db2.gz MPJDDUZSHDGGSO-UHFFFAOYSA-N -1 0 352.412 3.960 50 0 FHAARM CS(=O)(=O)N(Cc1ccc(C(=O)[O-])cc1)c1cc(Cl)cc(Cl)c1 ZINC000039315705 220863274 /nfs/dbraw/zinc/86/32/74/220863274.db2.gz QGSLEJHKHPYHRD-UHFFFAOYSA-N -1 0 374.245 3.658 50 0 FHAARM O=C([O-])CCCCCNC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000040313090 220902346 /nfs/dbraw/zinc/90/23/46/220902346.db2.gz UMULYIAHRAOELY-UHFFFAOYSA-N -1 0 363.417 3.672 50 0 FHAARM CC(=O)Nc1cc(NC(=O)CC2(CC(=O)[O-])CCCCC2)ccc1F ZINC000042734023 220941522 /nfs/dbraw/zinc/94/15/22/220941522.db2.gz SIWWGNZOXLEFSP-UHFFFAOYSA-N -1 0 350.390 3.538 50 0 FHAARM Cc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C3CC3)ccc2C)s1 ZINC000048355180 221009952 /nfs/dbraw/zinc/00/99/52/221009952.db2.gz UVCZKVYHQRCIFS-UHFFFAOYSA-N -1 0 350.465 3.514 50 0 FHAARM O=C([O-])c1cn(-c2cccc(F)c2)c2c1NC(=O)C[C@@H]2c1cccs1 ZINC000049545061 221024536 /nfs/dbraw/zinc/02/45/36/221024536.db2.gz HEYQMCKOFBJVJE-GFCCVEGCSA-N -1 0 356.378 3.850 50 0 FHAARM Cc1ccc(NCc2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc2)cc1 ZINC000055413734 221069675 /nfs/dbraw/zinc/06/96/75/221069675.db2.gz HGUYBIGCOQNMHQ-UHFFFAOYSA-N -1 0 352.434 3.544 50 0 FHAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc3oc(-c4ccccc4Cl)nc3c2)C1 ZINC000057327274 221086645 /nfs/dbraw/zinc/08/66/45/221086645.db2.gz RZNIFIJBNPSEMS-SNVBAGLBSA-N -1 0 356.765 3.586 50 0 FHAARM COc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)[O-])c2)cc1 ZINC000058064906 221098775 /nfs/dbraw/zinc/09/87/75/221098775.db2.gz MZVUIRWRKKSUMA-UHFFFAOYSA-N -1 0 368.433 3.882 50 0 FHAARM O=C([N-]O[C@@H]1CCCCO1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000060333190 221129058 /nfs/dbraw/zinc/12/90/58/221129058.db2.gz GXJQFNOGFMGOAA-WOJBJXKFSA-N -1 0 365.433 3.568 50 0 FHAARM O=C([O-])c1cn(-c2ccccc2F)c2c1NC(=O)C[C@@H]2c1ccsc1 ZINC000061719242 221134277 /nfs/dbraw/zinc/13/42/77/221134277.db2.gz IDOORROSOPMUBD-LLVKDONJSA-N -1 0 356.378 3.850 50 0 FHAARM Cc1nn2c(nc(C(C)C)c2S(=O)(=O)[N-]c2cc(C)cc(C)c2)s1 ZINC000065183930 221176621 /nfs/dbraw/zinc/17/66/21/221176621.db2.gz CIVXVCDDQHQHHC-UHFFFAOYSA-N -1 0 364.496 3.640 50 0 FHAARM Cc1cn(C)c(CC(=O)N(Cc2cccs2)C2CCCC2)c1C(=O)[O-] ZINC000064980599 221162023 /nfs/dbraw/zinc/16/20/23/221162023.db2.gz HODNKNKHPRYYFY-UHFFFAOYSA-N -1 0 360.479 3.607 50 0 FHAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(-c3ccncc3)no2)c1C ZINC000065153387 221173529 /nfs/dbraw/zinc/17/35/29/221173529.db2.gz OYGAKDKBBBFCKN-UHFFFAOYSA-N -1 0 357.435 3.771 50 0 FHAARM O=S(=O)([N-]c1cc(-c2cccnc2)no1)c1cc(Cl)cc(Cl)c1 ZINC000065153403 221173886 /nfs/dbraw/zinc/17/38/86/221173886.db2.gz FZWGVFGZPQIYMI-UHFFFAOYSA-N -1 0 370.217 3.844 50 0 FHAARM CCCCn1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)c2cccnc21 ZINC000065242327 221186279 /nfs/dbraw/zinc/18/62/79/221186279.db2.gz VGVNFQKCNSBUSN-UHFFFAOYSA-N -1 0 359.451 3.646 50 0 FHAARM CCc1cccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)o2)c1 ZINC000065246392 221186789 /nfs/dbraw/zinc/18/67/89/221186789.db2.gz HRLBGOWVTWXIDT-UHFFFAOYSA-N -1 0 373.434 3.960 50 0 FHAARM CC(C)O[C@H](C)c1nnc(SCC(=O)[O-])n1-c1cccc(Cl)c1 ZINC000065492596 221226118 /nfs/dbraw/zinc/22/61/18/221226118.db2.gz MNCHFGYZVXUGHC-SNVBAGLBSA-N -1 0 355.847 3.583 50 0 FHAARM O=c1c2cc(F)c(F)cc2[n-]cc1S(=O)(=O)c1cccc(Cl)c1 ZINC000067172785 221248359 /nfs/dbraw/zinc/24/83/59/221248359.db2.gz ORNBCKLWHKIUIJ-UHFFFAOYSA-N -1 0 355.749 3.705 50 0 FHAARM CCOc1ccccc1-c1nc(COc2ccc(C(=O)[O-])nc2)c(C)o1 ZINC000067472839 221256360 /nfs/dbraw/zinc/25/63/60/221256360.db2.gz KJJXCCDIQYZNER-UHFFFAOYSA-N -1 0 354.362 3.721 50 0 FHAARM O=C([O-])c1ccc([C@H]2CC(=O)Nc3c2c(=O)[nH]n3C2CCCCC2)cc1 ZINC000071283517 221339409 /nfs/dbraw/zinc/33/94/09/221339409.db2.gz ZUHVTQMFCPYMDK-CQSZACIVSA-N -1 0 355.394 3.503 50 0 FHAARM CN(Cc1ccc(Cl)cc1)c1nccc(-c2cc(C(=O)[O-])ccn2)n1 ZINC000071614792 221351942 /nfs/dbraw/zinc/35/19/42/221351942.db2.gz VCKPCKABYHFFMF-UHFFFAOYSA-N -1 0 354.797 3.527 50 0 FHAARM O=C([O-])c1nc(N2CCC([C@H](O)CCc3ccccc3)CC2)ccc1Cl ZINC000095522159 132214376 /nfs/dbraw/zinc/21/43/76/132214376.db2.gz SSVQLVJIXFRXAO-QGZVFWFLSA-N -1 0 374.868 3.643 50 0 FHAARM CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3=O)cc2)s1 ZINC000005329783 132257196 /nfs/dbraw/zinc/25/71/96/132257196.db2.gz YBHSUDGNPWZXPA-UHFFFAOYSA-N -1 0 364.492 3.628 50 0 FHAARM Cc1ccc(-n2c([O-])cc(=O)n(-c3ccc(C)c(C)c3)c2=S)cc1C ZINC000001040706 132379750 /nfs/dbraw/zinc/37/97/50/132379750.db2.gz ANOMUVDWGJRAIN-UHFFFAOYSA-N -1 0 352.459 3.975 50 0 FHAARM COc1ccc([C@@H]2[C@H](C(=O)[O-])CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000003888149 132385838 /nfs/dbraw/zinc/38/58/38/132385838.db2.gz KZRIPBOEXHKWGY-OXQOHEQNSA-N -1 0 369.417 3.581 50 0 FHAARM Cc1cnc(C)c(N2CCC[C@@](C/C=C/c3ccccc3)(C(=O)[O-])C2)n1 ZINC000071388583 136139066 /nfs/dbraw/zinc/13/90/66/136139066.db2.gz BJGKGUGTSKOZBN-VMLCMGRWSA-N -1 0 351.450 3.868 50 0 FHAARM O=C([O-])[C@]1(Cc2ccccc2F)CCCN(c2nccc3occc32)C1 ZINC000071721305 136139815 /nfs/dbraw/zinc/13/98/15/136139815.db2.gz JYPUKUQTYHXBAU-FQEVSTJZSA-N -1 0 354.381 3.881 50 0 FHAARM Cc1cnc(C)c(N2CCC[C@](Cc3cccc(Cl)c3)(C(=O)[O-])C2)n1 ZINC000071746979 136139966 /nfs/dbraw/zinc/13/99/66/136139966.db2.gz VYIZTWKAZDNJAJ-LJQANCHMSA-N -1 0 359.857 3.661 50 0 FHAARM O=C([O-])C1(CCc2ccccc2)CCN(c2cnc3ccccc3n2)CC1 ZINC000071767615 136140892 /nfs/dbraw/zinc/14/08/92/136140892.db2.gz JQXJBAVKOLHGQQ-UHFFFAOYSA-N -1 0 361.445 3.934 50 0 FHAARM CC(C)(C)n1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)c1 ZINC000095383276 221888382 /nfs/dbraw/zinc/88/83/82/221888382.db2.gz JQZYUPKEYMOHNI-KRWDZBQOSA-N -1 0 354.450 3.961 50 0 FHAARM Cc1sc2ccccc2c1S(=O)(=O)[N-]c1c[nH]nc1-c1ccccn1 ZINC000095427313 221901177 /nfs/dbraw/zinc/90/11/77/221901177.db2.gz FPXPDMKWDKWORQ-UHFFFAOYSA-N -1 0 370.459 3.796 50 0 FHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000096171082 222068453 /nfs/dbraw/zinc/06/84/53/222068453.db2.gz PBLMSWDTTLWWHX-UHFFFAOYSA-N -1 0 374.231 3.788 50 0 FHAARM Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(C(C)C)cc2)o1 ZINC000096379565 222117171 /nfs/dbraw/zinc/11/71/71/222117171.db2.gz HTWVSGJVLKZKOH-UHFFFAOYSA-N -1 0 374.466 3.914 50 0 FHAARM CCc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2cc(C)cc(C)c2)n1 ZINC000096379794 222117476 /nfs/dbraw/zinc/11/74/76/222117476.db2.gz FCMNRCMILQXAGF-UHFFFAOYSA-N -1 0 374.466 3.662 50 0 FHAARM CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000096742782 222128828 /nfs/dbraw/zinc/12/88/28/222128828.db2.gz PDRJRWHXXSNMEQ-MLPAPPSSSA-N -1 0 359.447 3.883 50 0 FHAARM Cc1ccc(S(=O)(=O)Cc2csc(-c3cccc(C(=O)[O-])c3)n2)cc1 ZINC000097002442 222149211 /nfs/dbraw/zinc/14/92/11/222149211.db2.gz DTQRMXUXANEZFT-UHFFFAOYSA-N -1 0 373.455 3.791 50 0 FHAARM O=C([O-])CCn1c(=O)c2ccccc2nc1/C=C\c1ccccc1Cl ZINC000097035229 222154559 /nfs/dbraw/zinc/15/45/59/222154559.db2.gz FHOCMEXOKSCPSF-KTKRTIGZSA-N -1 0 354.793 3.695 50 0 FHAARM COc1ccc(Cn2c([S-])nc3c(-c4ccccc4)c[nH]c3c2=O)cc1 ZINC000100071578 222235027 /nfs/dbraw/zinc/23/50/27/222235027.db2.gz SCPCQGQDYDDDTI-UHFFFAOYSA-N -1 0 363.442 3.737 50 0 FHAARM O=C(C[C@H]1CC[C@H](C(=O)[O-])CC1)c1cccc(I)c1 ZINC000100449830 222244260 /nfs/dbraw/zinc/24/42/60/222244260.db2.gz WZTJTPOZAYVYAV-PHIMTYICSA-N -1 0 372.202 3.755 50 0 FHAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(OC)cc2)c1=O ZINC000100473477 222245366 /nfs/dbraw/zinc/24/53/66/222245366.db2.gz WLROJPFIAYHZTI-UHFFFAOYSA-N -1 0 366.417 3.768 50 0 FHAARM Cn1c(=O)c(C(=O)Nc2cccc(Cl)c2Cl)c([O-])c2ccccc21 ZINC000100602466 222247744 /nfs/dbraw/zinc/24/77/44/222247744.db2.gz OMYDVHQPECXRJP-UHFFFAOYSA-N -1 0 363.200 3.803 50 0 biogenic,in-vitro FHAARM CC(C)Cn1c(=O)c(C(=O)Nc2ccccc2F)c([O-])c2ccccc21 ZINC000100677717 222248841 /nfs/dbraw/zinc/24/88/41/222248841.db2.gz UNUHNQKLNUKVBN-UHFFFAOYSA-N -1 0 354.381 3.755 50 0 FHAARM COc1cccc(C(=O)c2c(-c3ccccc3)[n-]n(-c3ccccc3)c2=O)c1 ZINC000101348438 222270522 /nfs/dbraw/zinc/27/05/22/222270522.db2.gz FYYJVSHGYOETPS-HXUWFJFHSA-N -1 0 370.408 3.945 50 0 FHAARM CCn1c(=O)c2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2[n-]c1=S ZINC000101729833 222282055 /nfs/dbraw/zinc/28/20/55/222282055.db2.gz LGEGYJLGZFBMLU-UHFFFAOYSA-N -1 0 361.511 3.650 50 0 FHAARM Cc1csc(-n2[n-]c(C)c(CCC(=O)Nc3cccc(C)c3)c2=O)n1 ZINC000101832706 222285459 /nfs/dbraw/zinc/28/54/59/222285459.db2.gz SNZKDCPMSFSPSS-UHFFFAOYSA-N -1 0 356.451 3.531 50 0 FHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(Cl)c4)c=3c2=O)cc1F ZINC000102819245 222309473 /nfs/dbraw/zinc/30/94/73/222309473.db2.gz IFBZORWBAZWKEA-HOTGVXAUSA-N -1 0 372.787 3.594 50 0 FHAARM CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000004616763 263334751 /nfs/dbraw/zinc/33/47/51/263334751.db2.gz LYIHEGQUMJOGRH-IBGZPJMESA-N -1 0 364.445 3.891 50 0 FHAARM O=C([O-])CCNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000072401337 518201381 /nfs/dbraw/zinc/20/13/81/518201381.db2.gz IYNNPHDFTONLDI-UHFFFAOYSA-N -1 0 354.793 3.760 50 0 FHAARM Cc1cnc(-n2ncc(C(=O)[O-])c2-c2ccco2)nc1-c1ccc(F)cc1 ZINC000299780104 534522041 /nfs/dbraw/zinc/52/20/41/534522041.db2.gz SYEPKNCZXWDEHH-UHFFFAOYSA-N -1 0 364.336 3.735 50 0 FHAARM Cc1oc(CN(C)C(=O)[C@@H]2CCCO[C@H]2c2ccc(C)cc2)cc1C(=O)[O-] ZINC000299748090 534545453 /nfs/dbraw/zinc/54/54/53/534545453.db2.gz FYFXHLSQFRWYJC-MJGOQNOKSA-N -1 0 371.433 3.721 50 0 FHAARM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1C ZINC000085597913 521368872 /nfs/dbraw/zinc/36/88/72/521368872.db2.gz CDYVBOSBJRSYCM-UHFFFAOYSA-N -1 0 370.858 3.571 50 0 FHAARM CCCn1cnc(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)c1 ZINC000089960740 521663723 /nfs/dbraw/zinc/66/37/23/521663723.db2.gz OMFACCOITLFRCT-UHFFFAOYSA-N -1 0 369.537 3.573 50 0 FHAARM CCc1ccc(S(=O)(=O)[N-]c2cnc(Oc3ccccc3F)nc2)cc1 ZINC000090607756 524018182 /nfs/dbraw/zinc/01/81/82/524018182.db2.gz KILDGJVCRQSMJJ-UHFFFAOYSA-N -1 0 373.409 3.771 50 0 FHAARM C[C@H](Oc1cccc(-c2cc(C(F)(F)F)cnc2N(C)C)c1)C(=O)[O-] ZINC000091695547 525939986 /nfs/dbraw/zinc/93/99/86/525939986.db2.gz SSABSFNRIOLBOP-JTQLQIEISA-N -1 0 354.328 3.685 50 0 FHAARM CC(C)C(=O)Nc1cccc(Cn2c(=O)c3ccccc3[n-]c2=S)c1 ZINC000024952375 568304480 /nfs/dbraw/zinc/30/44/80/568304480.db2.gz VHIFHYFEGLXAIK-UHFFFAOYSA-N -1 0 353.447 3.702 50 0 FHAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)Cc3cc(F)ccc3F)C2)c1 ZINC000095357003 570453483 /nfs/dbraw/zinc/45/34/83/570453483.db2.gz BJBYCCIDWQSXOY-OAHLLOKOSA-N -1 0 359.372 3.612 50 0 FHAARM CCn1c(C)cc(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)c1C ZINC000095369677 570456242 /nfs/dbraw/zinc/45/62/42/570456242.db2.gz DQIAXICRVMKUMB-SFHVURJKSA-N -1 0 354.450 3.843 50 0 FHAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3ccc4ncccc4c3)C2)c1 ZINC000095383616 570459386 /nfs/dbraw/zinc/45/93/86/570459386.db2.gz VDZOEBQUFWARFZ-IBGZPJMESA-N -1 0 360.413 3.953 50 0 FHAARM Cc1c(Cl)cc(C(=O)N(CCC(=O)[O-])Cc2cccnc2)cc1Cl ZINC000095509901 570465171 /nfs/dbraw/zinc/46/51/71/570465171.db2.gz JNCIPRLQNJHJBD-UHFFFAOYSA-N -1 0 367.232 3.814 50 0 FHAARM CN(C(=O)c1ccc(-c2ccccc2Cl)o1)[C@@H](C(=O)[O-])c1cccnc1 ZINC000095509480 570465406 /nfs/dbraw/zinc/46/54/06/570465406.db2.gz RFSISWUAUVBQHA-QGZVFWFLSA-N -1 0 370.792 3.893 50 0 FHAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc2ccccc2c1 ZINC000011615682 570484167 /nfs/dbraw/zinc/48/41/67/570484167.db2.gz WTSCOSNJLZWOPT-UHFFFAOYSA-N -1 0 370.430 3.608 50 0 FHAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000002543394 570524527 /nfs/dbraw/zinc/52/45/27/570524527.db2.gz OUDIAANQRFWZOO-UHFFFAOYSA-N -1 0 366.247 3.642 50 0 FHAARM O=C([O-])C[C@@H](c1ccc(Br)cc1)N1Cc2ccccc2C1=O ZINC000003855979 570569679 /nfs/dbraw/zinc/56/96/79/570569679.db2.gz CAIVKOWCOVRJGV-HNNXBMFYSA-N -1 0 360.207 3.621 50 0 FHAARM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237787808 570575416 /nfs/dbraw/zinc/57/54/16/570575416.db2.gz QOYXJSJWZGMVCH-SJORKVTESA-N -1 0 369.486 3.805 50 0 FHAARM CCOC(=O)c1nc2cc3n(c(CCC(=O)[O-])c-2c1C)[C@H](C)C(C)=C3C ZINC000033728866 570578730 /nfs/dbraw/zinc/57/87/30/570578730.db2.gz IHLVRAJWDXKPQZ-CYBMUJFWSA-N -1 0 356.422 3.858 50 0 FHAARM Cc1n[nH]c(SC(=Cc2cccc(OCc3ccccc3)c2)C(=O)[O-])n1 ZINC000005047177 570579376 /nfs/dbraw/zinc/57/93/76/570579376.db2.gz JNLOXYZRNHIVHB-BOPFTXTBSA-N -1 0 367.430 3.910 50 0 FHAARM Cc1ccc(NC(=O)[C@H]2CC(Cl)=CC[C@@H]2C(=O)[O-])c(Br)c1 ZINC000004178835 570580336 /nfs/dbraw/zinc/58/03/36/570580336.db2.gz MLWWPMLLTDLSTD-QWRGUYRKSA-N -1 0 372.646 3.930 50 0 FHAARM Cc1ccc(NC(=O)[C@@H]2CC(Cl)=CC[C@H]2C(=O)[O-])c(Br)c1 ZINC000004178838 570580422 /nfs/dbraw/zinc/58/04/22/570580422.db2.gz MLWWPMLLTDLSTD-GHMZBOCLSA-N -1 0 372.646 3.930 50 0 FHAARM CC(C)(C)OC(=O)N1C[C@H](Cc2cccc(C(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC000004241454 570581864 /nfs/dbraw/zinc/58/18/64/570581864.db2.gz RWCBEYAFNSRYJW-OCCSQVGLSA-N -1 0 373.371 3.958 50 0 FHAARM O=C([O-])CC[NH+]1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000238165381 570592434 /nfs/dbraw/zinc/59/24/34/570592434.db2.gz KSVPBGFHAUJIQS-UHFFFAOYSA-N -1 0 364.898 3.661 50 0 FHAARM CCc1cccc(CC)c1NC(=O)c1ccccc1NC(=O)CCC(=O)[O-] ZINC000004593120 570597156 /nfs/dbraw/zinc/59/71/56/570597156.db2.gz DUBZYJPAAUOOOI-UHFFFAOYSA-N -1 0 368.433 3.867 50 0 FHAARM COc1cc(OC)cc(-c2nnc(SCc3ccc(C(=O)[O-])cc3)o2)c1 ZINC000004809722 570607532 /nfs/dbraw/zinc/60/75/32/570607532.db2.gz UWHIYNHZYYQSOX-UHFFFAOYSA-N -1 0 372.402 3.744 50 0 FHAARM CC(C)c1nc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)n(C)n1 ZINC000128187713 570611410 /nfs/dbraw/zinc/61/14/10/570611410.db2.gz VLUSFQCRFXYSAK-UHFFFAOYSA-N -1 0 364.858 3.546 50 0 FHAARM O=C([O-])/C=C/c1cccc(NC(=S)NC(=O)c2ccccc2Cl)c1 ZINC000226323082 570611621 /nfs/dbraw/zinc/61/16/21/570611621.db2.gz LNDVKQSGAAFIDV-CMDGGOBGSA-N -1 0 360.822 3.565 50 0 FHAARM CC[C@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000005910066 570638290 /nfs/dbraw/zinc/63/82/90/570638290.db2.gz WHHXWBHRQQABQQ-CWRNSKLLSA-N -1 0 359.422 3.556 50 0 FHAARM O=C1CCCN1c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000005329216 570647998 /nfs/dbraw/zinc/64/79/98/570647998.db2.gz GEWSDSDRCDNVDH-UHFFFAOYSA-N -1 0 366.442 3.767 50 0 FHAARM O=C([O-])CSc1nc2ccccc2c(=O)n1-c1cccc2ccccc21 ZINC000005519222 570666333 /nfs/dbraw/zinc/66/63/33/570666333.db2.gz XOVJIEORBKSBQY-UHFFFAOYSA-N -1 0 362.410 3.716 50 0 FHAARM Cc1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])nc1-c1ccc(F)cc1 ZINC000002738023 570668301 /nfs/dbraw/zinc/66/83/01/570668301.db2.gz XWJJYBAUSQFKSQ-KBPBESRZSA-N -1 0 360.410 3.863 50 0 FHAARM CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)cc2OC)cc1 ZINC000008132556 570677805 /nfs/dbraw/zinc/67/78/05/570677805.db2.gz CBDJVMLYPVUGPX-UHFFFAOYSA-N -1 0 355.843 3.857 50 0 FHAARM CCOc1cccc2sc([N-]S(=O)(=O)c3ccc(OC)cc3)nc21 ZINC000008864630 570686484 /nfs/dbraw/zinc/68/64/84/570686484.db2.gz NBGDFOVHJJWKPU-UHFFFAOYSA-N -1 0 364.448 3.504 50 0 FHAARM O=C(NC1CCCCC1)c1ccccc1[N-]S(=O)(=O)Cc1ccccc1 ZINC000009356470 570694519 /nfs/dbraw/zinc/69/45/19/570694519.db2.gz ATDRQPZVKYSRPS-UHFFFAOYSA-N -1 0 372.490 3.691 50 0 FHAARM O=C([O-])Cn1c2ccccc2nc1SCCOc1ccccc1Cl ZINC000012062278 570716023 /nfs/dbraw/zinc/71/60/23/570716023.db2.gz NQYWPEUUUFWWJX-UHFFFAOYSA-N -1 0 362.838 3.945 50 0 FHAARM CCCN(CCC)C(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000012403833 570742171 /nfs/dbraw/zinc/74/21/71/570742171.db2.gz JAECRSGGHKIPFZ-QZTJIDSGSA-N -1 0 374.481 3.778 50 0 FHAARM O=C([O-])[C@@H]1CN(C(=O)c2csc(-c3cccs3)n2)c2ccccc21 ZINC000177480578 570776652 /nfs/dbraw/zinc/77/66/52/570776652.db2.gz NLFQCCLQLINBSB-LLVKDONJSA-N -1 0 356.428 3.700 50 0 FHAARM O=C([O-])[C@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)c2ccccc21 ZINC000177484404 570776836 /nfs/dbraw/zinc/77/68/36/570776836.db2.gz ILMNWWZZYZAOSK-ZDUSSCGKSA-N -1 0 370.455 3.629 50 0 FHAARM CCCO[C@@H]1CCCN(C(=O)c2cc(Cl)c(Cl)cc2C(=O)[O-])C1 ZINC000004476136 570792923 /nfs/dbraw/zinc/79/29/23/570792923.db2.gz JLZMZCOVVOTICF-SNVBAGLBSA-N -1 0 360.237 3.723 50 0 FHAARM CC(=O)C=C([O-])c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000101408987 570819975 /nfs/dbraw/zinc/81/99/75/570819975.db2.gz SELWIXURMVDWHY-UHFFFAOYSA-N -1 0 350.370 3.842 50 0 FHAARM Cc1ccc(-c2noc(-c3c([O-])c4ccc(F)cc4n(C)c3=O)n2)cc1C ZINC000101724912 570822472 /nfs/dbraw/zinc/82/24/72/570822472.db2.gz NGTAWWWYNNVDII-UHFFFAOYSA-N -1 0 365.364 3.717 50 0 FHAARM C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000005723735 570861765 /nfs/dbraw/zinc/86/17/65/570861765.db2.gz VDYLVWGBLQNNAW-NDWOEOEJSA-N -1 0 361.482 3.767 50 0 biogenic FHAARM O=C(Nc1ccccc1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000046897952 570875941 /nfs/dbraw/zinc/87/59/41/570875941.db2.gz LRVQMDKNJFVSED-UHFFFAOYSA-N -1 0 358.444 3.801 50 0 FHAARM CN(Cc1ccc(F)cc1F)C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000047077060 570879640 /nfs/dbraw/zinc/87/96/40/570879640.db2.gz PPLWWOWXXPFODO-UHFFFAOYSA-N -1 0 361.373 3.548 50 0 FHAARM Cc1nn(-c2ccc(F)cc2F)c2c1C(=C([O-])c1cccs1)CC(=O)N2 ZINC000046057183 570923160 /nfs/dbraw/zinc/92/31/60/570923160.db2.gz XLOFBQXHSYYPDW-LLVKDONJSA-N -1 0 373.384 3.829 50 0 FHAARM O=C(NCCSc1ccccc1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000047932403 570932430 /nfs/dbraw/zinc/93/24/30/570932430.db2.gz WOPKYOKBNYBUNZ-UHFFFAOYSA-N -1 0 357.460 3.520 50 0 FHAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(F)cc2C)cc1Cl ZINC000022842509 570951151 /nfs/dbraw/zinc/95/11/51/570951151.db2.gz MZGPVENLSCTMFX-UHFFFAOYSA-N -1 0 359.806 3.606 50 0 FHAARM CCCC[C@H](CC)c1nnc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])s1 ZINC000005597364 570963107 /nfs/dbraw/zinc/96/31/07/570963107.db2.gz RYFGURUWIFMZAX-XQQFMLRXSA-N -1 0 351.472 3.827 50 0 FHAARM O=C([O-])C1CCN(C(=O)Cn2c(-c3ccccc3)cc3ccccc32)CC1 ZINC000032070097 571056654 /nfs/dbraw/zinc/05/66/54/571056654.db2.gz KPIMRFBEALGVRA-UHFFFAOYSA-N -1 0 362.429 3.632 50 0 FHAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccccc1Nc1ccc(C)cc1 ZINC000039996414 571067432 /nfs/dbraw/zinc/06/74/32/571067432.db2.gz PHQJKMLOXYKPHA-UHFFFAOYSA-N -1 0 370.478 3.890 50 0 FHAARM O=c1[nH]c(-c2cc(Br)cc(Cl)c2[O-])nc2ccccc12 ZINC000008914142 571071718 /nfs/dbraw/zinc/07/17/18/571071718.db2.gz APENMDSZGQHVBL-UHFFFAOYSA-N -1 0 351.587 3.712 50 0 FHAARM CC(C)[C@H](NC(=O)c1ccccc1)C(=O)C=C([O-])c1ccc(Cl)cc1 ZINC000101688206 571073790 /nfs/dbraw/zinc/07/37/90/571073790.db2.gz HSWCXVLUOMGEAJ-IBGZPJMESA-N -1 0 357.837 3.937 50 0 FHAARM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)c1cc2ccccc2o1 ZINC000238155373 571106633 /nfs/dbraw/zinc/10/66/33/571106633.db2.gz SNGRBGUHOLAASP-UHFFFAOYSA-N -1 0 359.328 3.828 50 0 FHAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccccc1Cl ZINC000009550314 571113183 /nfs/dbraw/zinc/11/31/83/571113183.db2.gz RWGFMEITAVOXIB-GOSISDBHSA-N -1 0 370.836 3.566 50 0 FHAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3F)s2)n[nH]1 ZINC000009686412 571116789 /nfs/dbraw/zinc/11/67/89/571116789.db2.gz CKIOPAIFKJJGAL-UHFFFAOYSA-N -1 0 355.391 3.526 50 0 FHAARM O=C([O-])[C@H]1CS[C@H](c2ccc(F)cc2)N1C(=O)c1ccc(Cl)cc1 ZINC000035110293 571116880 /nfs/dbraw/zinc/11/68/80/571116880.db2.gz WOHVAZXZWUTCHL-GDBMZVCRSA-N -1 0 365.813 3.820 50 0 FHAARM O=S1(=O)[N-]C(SCc2ccccc2Cl)=Nc2ccc(F)cc21 ZINC000009762026 571119067 /nfs/dbraw/zinc/11/90/67/571119067.db2.gz HVGZXMIIBBWABF-UHFFFAOYSA-N -1 0 356.831 3.883 50 0 FHAARM O=C([O-])[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccccc1 ZINC000035141657 571119650 /nfs/dbraw/zinc/11/96/50/571119650.db2.gz ALEYKTIJKNGMHX-CYBMUJFWSA-N -1 0 367.323 3.857 50 0 FHAARM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CC(c2ccccc2)c2ccccc2)C1 ZINC000263132825 571122127 /nfs/dbraw/zinc/12/21/27/571122127.db2.gz DAYGKNHCWAFNAO-LPHOPBHVSA-N -1 0 351.446 3.778 50 0 FHAARM O=C([O-])CCCN1C(=O)/C(=C/c2csc3ccccc23)SC1=S ZINC000069980483 571122630 /nfs/dbraw/zinc/12/26/30/571122630.db2.gz KLNASBCJBABITI-JYRVWZFOSA-N -1 0 363.485 3.967 50 0 FHAARM CN(Cc1cncn1C1CCCCC1)Cc1nc(=O)c2sccc2[n-]1 ZINC000253537339 571138125 /nfs/dbraw/zinc/13/81/25/571138125.db2.gz ORZUTDHOKONHGA-UHFFFAOYSA-N -1 0 357.483 3.731 50 0 FHAARM O=C([O-])c1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)ccn1 ZINC000685939378 571142134 /nfs/dbraw/zinc/14/21/34/571142134.db2.gz CMKGKLPKZFDJRU-UHFFFAOYSA-N -1 0 374.396 3.819 50 0 FHAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2Cl)cc1Cl ZINC000078938520 571152953 /nfs/dbraw/zinc/15/29/53/571152953.db2.gz USCFWFFFZBMASE-UHFFFAOYSA-N -1 0 364.181 3.632 50 0 FHAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cc[nH]n3)s2)cc1Cl ZINC000075351839 571161933 /nfs/dbraw/zinc/16/19/33/571161933.db2.gz IRRHJTPUFAWWFJ-UHFFFAOYSA-N -1 0 353.856 3.901 50 0 FHAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000265577612 571162272 /nfs/dbraw/zinc/16/22/72/571162272.db2.gz MKEDPZQIPDVKLV-ZACQAIPSSA-N -1 0 368.433 3.519 50 0 FHAARM CCCOc1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)ccc1Cl ZINC000006706904 571167551 /nfs/dbraw/zinc/16/75/51/571167551.db2.gz NXXULIYETSDTRU-UHFFFAOYSA-N -1 0 361.250 3.978 50 0 FHAARM Cc1ccc(C(=O)N2CCC[C@@H](Cc3ccc(C(=O)[O-])cc3)C2)cc1F ZINC000072143335 571172357 /nfs/dbraw/zinc/17/23/57/571172357.db2.gz AXPVQAPXHMEGLU-INIZCTEOSA-N -1 0 355.409 3.927 50 0 FHAARM CCCc1nc2[n-]c(C)nn2c(=O)c1NC(=O)Nc1ccc(C)c(Cl)c1 ZINC000033266197 571200714 /nfs/dbraw/zinc/20/07/14/571200714.db2.gz QDIMUYUAEMMXQV-UHFFFAOYSA-N -1 0 374.832 3.697 50 0 FHAARM Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNc1cccc(C(=O)[O-])c1 ZINC000252591336 571204052 /nfs/dbraw/zinc/20/40/52/571204052.db2.gz AZSICFVMCNKDLG-UHFFFAOYSA-N -1 0 370.368 3.822 50 0 FHAARM CCOC(=O)c1ccc(-c2c([O-])c3cc(CC)c(OC)cc3oc2=O)o1 ZINC000005908529 571204493 /nfs/dbraw/zinc/20/44/93/571204493.db2.gz PRJMXDUROWQFSX-UHFFFAOYSA-N -1 0 358.346 3.506 50 0 biogenic FHAARM Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000036357281 571249663 /nfs/dbraw/zinc/24/96/63/571249663.db2.gz XUARRJHIJCAPCE-UHFFFAOYSA-N -1 0 363.389 3.568 50 0 FHAARM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3cnc(C)o3)s2)c1 ZINC000065003864 571250129 /nfs/dbraw/zinc/25/01/29/571250129.db2.gz OEMSESCDHRTTRF-UHFFFAOYSA-N -1 0 362.432 3.715 50 0 FHAARM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000086255956 571275134 /nfs/dbraw/zinc/27/51/34/571275134.db2.gz KVCDRFYMLTZBJM-KBPBESRZSA-N -1 0 351.402 3.731 50 0 FHAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(C[C@H](C)c1ccccc1)c2=O ZINC000017113816 571275145 /nfs/dbraw/zinc/27/51/45/571275145.db2.gz MGGWXYYZUWNLJD-LBPRGKRZSA-N -1 0 354.431 3.649 50 0 FHAARM Cc1cc(F)c(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)cc1F ZINC000237779660 571277268 /nfs/dbraw/zinc/27/72/68/571277268.db2.gz PPWOQJHGLWRPPL-UHFFFAOYSA-N -1 0 359.372 3.532 50 0 FHAARM Cc1nnc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)o1 ZINC000007787332 571289038 /nfs/dbraw/zinc/28/90/38/571289038.db2.gz FPFAZHMPACUKSM-UHFFFAOYSA-N -1 0 359.389 3.791 50 0 FHAARM Cc1ccc(N(C)S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1 ZINC000078726078 571324556 /nfs/dbraw/zinc/32/45/56/571324556.db2.gz BKSSAAUIYXTJCY-UHFFFAOYSA-N -1 0 374.245 3.825 50 0 FHAARM O=C([O-])c1cccc(-c2ccc([C@@H]3SCC(=O)Nc4n[nH]cc43)o2)c1 ZINC000079486149 571327591 /nfs/dbraw/zinc/32/75/91/571327591.db2.gz MKTQEMZTTFSMBX-OAHLLOKOSA-N -1 0 355.375 3.792 50 0 FHAARM CCOc1ccc(S(=O)(=O)[N-]c2onc(C3CCCCC3)c2C)cn1 ZINC000329744586 571327745 /nfs/dbraw/zinc/32/77/45/571327745.db2.gz XVZQRSVAKAXYQD-UHFFFAOYSA-N -1 0 365.455 3.625 50 0 FHAARM Cc1ccccc1S(=O)(=O)[N-]c1nc(C)nc2sc3c(c21)CCC3 ZINC000002638254 571339780 /nfs/dbraw/zinc/33/97/80/571339780.db2.gz KYTAYEUFVAISBE-UHFFFAOYSA-N -1 0 359.476 3.598 50 0 FHAARM Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](CC(C)C)[C@@H]2C1=O ZINC000230064695 571340718 /nfs/dbraw/zinc/34/07/18/571340718.db2.gz BMHVPIICEQFDLA-HSALFYBXSA-N -1 0 364.445 3.720 50 0 FHAARM Cc1cccc(Cn2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)cn2)c1 ZINC000002804963 571341217 /nfs/dbraw/zinc/34/12/17/571341217.db2.gz SQZVAWJCQGEGAM-UHFFFAOYSA-N -1 0 361.854 3.694 50 0 FHAARM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)Nc1cccc(Cl)c1 ZINC000002971805 571343134 /nfs/dbraw/zinc/34/31/34/571343134.db2.gz SLFLXEVLYAVJBG-UHFFFAOYSA-N -1 0 359.838 3.741 50 0 FHAARM O=C([O-])c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cn1 ZINC000168327567 571351851 /nfs/dbraw/zinc/35/18/51/571351851.db2.gz DRKIKNOYHMQAQV-UHFFFAOYSA-N -1 0 374.396 3.819 50 0 FHAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1N1CCc2ccccc21 ZINC000031535043 571352732 /nfs/dbraw/zinc/35/27/32/571352732.db2.gz CWMIOEPKZSOIIN-UHFFFAOYSA-N -1 0 369.446 3.786 50 0 FHAARM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000237220550 600198563 /nfs/dbraw/zinc/19/85/63/600198563.db2.gz MYQRCUCTVCZXLT-YMTOWFKASA-N -1 0 353.827 3.606 50 0 FHAARM