smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c(F)cc1Cl ZINC001259219881 960679068 /nfs/dbraw/zinc/67/90/68/960679068.db2.gz IZDMCVURAQLSHL-UHFFFAOYSA-N -1 2 380.180 3.337 20 10 GGCDLM COc1ccccc1S(=O)(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC001599718195 991492880 /nfs/dbraw/zinc/49/28/80/991492880.db2.gz LRMJSLPTSNKIKR-UHFFFAOYSA-N -1 2 390.442 3.318 20 10 GGCDLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2ccccn2)cs1 ZINC000738276836 599966227 /nfs/dbraw/zinc/96/62/27/599966227.db2.gz BARPDSKJJTXTGS-UHFFFAOYSA-N -1 2 375.431 3.013 20 10 GGCDLM COc1ccccc1-c1csc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)n1 ZINC000738113945 600055030 /nfs/dbraw/zinc/05/50/30/600055030.db2.gz OJWJXXZGSLHASI-UHFFFAOYSA-N -1 2 396.471 3.379 20 10 GGCDLM O=C([O-])c1cc(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2)c[nH]1 ZINC000740068317 600055275 /nfs/dbraw/zinc/05/52/75/600055275.db2.gz DGGABUGMOWAYCS-UHFFFAOYSA-N -1 2 383.838 3.291 20 10 GGCDLM O=C([O-])c1cccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)c1 ZINC000738688129 600055889 /nfs/dbraw/zinc/05/58/89/600055889.db2.gz FQCNBIVSYRXXGE-UHFFFAOYSA-N -1 2 378.406 3.448 20 10 GGCDLM O=C([O-])Cc1sc(NS(=O)(=O)c2ccc(F)cc2)nc1-c1ccccc1 ZINC000739899228 600056109 /nfs/dbraw/zinc/05/61/09/600056109.db2.gz GWJZSCFCBOPGLE-UHFFFAOYSA-N -1 2 392.433 3.377 20 10 GGCDLM O=C([O-])Cc1sc(NS(=O)(=O)c2cccs2)nc1-c1ccccc1 ZINC000739899291 600056211 /nfs/dbraw/zinc/05/62/11/600056211.db2.gz IVWPNCSATHMQPW-UHFFFAOYSA-N -1 2 380.472 3.300 20 10 GGCDLM Cn1cc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1C(=O)[O-] ZINC000833055256 600828459 /nfs/dbraw/zinc/82/84/59/600828459.db2.gz FEFUCZUPAOCEEM-UHFFFAOYSA-N -1 2 397.865 3.301 20 10 GGCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)n2)c(C)c1 ZINC000832907354 600976611 /nfs/dbraw/zinc/97/66/11/600976611.db2.gz SIAANIYFYGCERF-UHFFFAOYSA-N -1 2 377.447 3.254 20 10 GGCDLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c[nH]1 ZINC000833306105 600977356 /nfs/dbraw/zinc/97/73/56/600977356.db2.gz DRSTUEGHVHOEJA-UHFFFAOYSA-N -1 2 389.458 3.126 20 10 GGCDLM COc1cc(C(=O)[O-])sc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 ZINC000831950722 601200855 /nfs/dbraw/zinc/20/08/55/601200855.db2.gz WDPPTSKVAKPWQV-UHFFFAOYSA-N -1 2 396.471 3.379 20 10 GGCDLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)c1C ZINC000832866886 601358778 /nfs/dbraw/zinc/35/87/78/601358778.db2.gz ZERZHCPRUYFBLI-UHFFFAOYSA-N -1 2 389.458 3.321 20 10 GGCDLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)c1C ZINC000832866193 601358852 /nfs/dbraw/zinc/35/88/52/601358852.db2.gz IOGIVFAQSWYWRM-UHFFFAOYSA-N -1 2 389.458 3.321 20 10 GGCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3csnc3C(=O)[O-])n2)s1 ZINC000832906980 601767301 /nfs/dbraw/zinc/76/73/01/601767301.db2.gz IVTHGYYTYLGGBY-UHFFFAOYSA-N -1 2 387.489 3.136 20 10 GGCDLM Cc1ccccc1-c1csc(NS(=O)(=O)c2csnc2C(=O)[O-])n1 ZINC000832973814 601767734 /nfs/dbraw/zinc/76/77/34/601767734.db2.gz DCNAUDCWLBBHJD-UHFFFAOYSA-N -1 2 381.460 3.074 20 10 GGCDLM Cc1sc(NS(=O)(=O)c2csnc2C(=O)[O-])nc1-c1ccc(C)cc1 ZINC000832908676 601767830 /nfs/dbraw/zinc/76/78/30/601767830.db2.gz OZWYPANWBZKYAZ-UHFFFAOYSA-N -1 2 395.487 3.382 20 10 GGCDLM Cc1sc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)nc1-c1ccc(C)cc1 ZINC000833746910 604699840 /nfs/dbraw/zinc/69/98/40/604699840.db2.gz VEABSHGAVVQNJZ-UHFFFAOYSA-N -1 2 389.458 3.321 20 10 GGCDLM COc1ccc(OC)c2c1C[N@H+](Cc1cc(Br)ccc1O)C[C@H]2O ZINC000121074436 1413997516 /nfs/dbraw/zinc/99/75/16/1413997516.db2.gz BFKMRPJIFKJZMH-OAHLLOKOSA-N -1 2 394.265 3.221 20 10 GGCDLM COc1ccc(OC)c2c1C[N@H+](Cc1cc(Br)ccc1O)C[C@@H]2O ZINC000121074292 1413997570 /nfs/dbraw/zinc/99/75/70/1413997570.db2.gz BFKMRPJIFKJZMH-HNNXBMFYSA-N -1 2 394.265 3.221 20 10 GGCDLM CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000761996026 978717591 /nfs/dbraw/zinc/71/75/91/978717591.db2.gz RDSWXGSNFCYQTK-UHFFFAOYSA-N -1 2 385.825 3.332 20 10 GGCDLM CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)[O-])nc3)n2)s1 ZINC001597491846 988021577 /nfs/dbraw/zinc/02/15/77/988021577.db2.gz GJSMIWSSQJWEFF-UHFFFAOYSA-N -1 2 395.487 3.328 20 10 GGCDLM CCc1ccc(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)s1 ZINC000737268250 600054939 /nfs/dbraw/zinc/05/49/39/600054939.db2.gz XBQGAXKNYYTLOA-UHFFFAOYSA-N -1 2 383.476 3.261 20 10 GGCDLM O=C([O-])Cc1sc(NS(=O)(=O)c2cccc(F)c2)nc1-c1ccccc1 ZINC000739899302 600056098 /nfs/dbraw/zinc/05/60/98/600056098.db2.gz JHWBEBQVQGHWBO-UHFFFAOYSA-N -1 2 392.433 3.377 20 10 GGCDLM O=C([O-])Cc1sc(NS(=O)(=O)c2ccccc2F)nc1-c1ccccc1 ZINC000739900072 600056285 /nfs/dbraw/zinc/05/62/85/600056285.db2.gz YOODNPOSQNMCNU-UHFFFAOYSA-N -1 2 392.433 3.377 20 10 GGCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)n2)s1 ZINC000832906968 600827701 /nfs/dbraw/zinc/82/77/01/600827701.db2.gz IJVSFFUGCCLOCK-UHFFFAOYSA-N -1 2 383.476 3.018 20 10 GGCDLM O=C([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000833324186 601127741 /nfs/dbraw/zinc/12/77/41/601127741.db2.gz LOBWPGUQUHPXJN-UHFFFAOYSA-N -1 2 378.406 3.448 20 10 GGCDLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 ZINC000832208661 601358767 /nfs/dbraw/zinc/35/87/67/601358767.db2.gz LQSVNMDCEFTLLP-UHFFFAOYSA-N -1 2 390.442 3.318 20 10 GGCDLM CCc1ccc(-c2csc(NS(=O)(=O)c3csnc3C(=O)[O-])n2)cc1 ZINC000830228729 601767422 /nfs/dbraw/zinc/76/74/22/601767422.db2.gz CHJSDKQKIMJJOE-UHFFFAOYSA-N -1 2 395.487 3.328 20 10 GGCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3csnc3C(=O)[O-])n2)c(C)c1 ZINC000832907628 601767644 /nfs/dbraw/zinc/76/76/44/601767644.db2.gz YTYMGYSLUZCQQD-UHFFFAOYSA-N -1 2 395.487 3.382 20 10 GGCDLM Cc1sc(NS(=O)(=O)c2csnc2C(=O)[O-])nc1-c1ccccc1 ZINC000833037426 601767928 /nfs/dbraw/zinc/76/79/28/601767928.db2.gz XMKLVPMSQJVTSD-UHFFFAOYSA-N -1 2 381.460 3.074 20 10 GGCDLM Cc1cc(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)c(F)cc1F ZINC000832904239 601795185 /nfs/dbraw/zinc/79/51/85/601795185.db2.gz BDKFGFIENVTNGW-UHFFFAOYSA-N -1 2 399.400 3.224 20 10 GGCDLM COc1ccc(C(=O)N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)cc1OC ZINC000125474399 1415209843 /nfs/dbraw/zinc/20/98/43/1415209843.db2.gz ZZSQUJPRXJSRIC-UHFFFAOYSA-N -1 2 390.867 3.021 20 10 GGCDLM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 ZINC000737225881 1450335654 /nfs/dbraw/zinc/33/56/54/1450335654.db2.gz JXPNEWNANQNCKE-UHFFFAOYSA-N -1 2 398.473 3.099 20 10 GGCDLM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 ZINC000737225881 1450335658 /nfs/dbraw/zinc/33/56/58/1450335658.db2.gz JXPNEWNANQNCKE-UHFFFAOYSA-N -1 2 398.473 3.099 20 10 GGCDLM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cc(Br)cc(Br)c1O ZINC000844936708 969247105 /nfs/dbraw/zinc/24/71/05/969247105.db2.gz WIXSPTQPDUVGCB-RDDDGLTNSA-N -1 2 393.075 3.355 20 10 GGCDLM Cc1nc(C)c(-c2csc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)n2)s1 ZINC000738350684 978522925 /nfs/dbraw/zinc/52/29/25/978522925.db2.gz WPOAJJDIUHYJLP-UHFFFAOYSA-N -1 2 395.487 3.382 20 10 GGCDLM O=C([O-])c1cccc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)c1 ZINC000738688785 978588371 /nfs/dbraw/zinc/58/83/71/978588371.db2.gz LCULOPUNLGBLIN-UHFFFAOYSA-N -1 2 388.426 3.202 20 10 GGCDLM CCc1cc(O)ccc1NS(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C ZINC001597487245 987992823 /nfs/dbraw/zinc/99/28/23/987992823.db2.gz JNHOXXDXIPRENZ-UHFFFAOYSA-N -1 2 375.855 3.477 20 10 GGCDLM O=C([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2cccnc2)cs1 ZINC000740140798 600052098 /nfs/dbraw/zinc/05/20/98/600052098.db2.gz NVSQBYGRUMPALI-UHFFFAOYSA-N -1 2 395.849 3.358 20 10 GGCDLM O=C([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)cc1 ZINC000738690253 600055858 /nfs/dbraw/zinc/05/58/58/600055858.db2.gz UYSZSLJZQQSSOK-UHFFFAOYSA-N -1 2 378.406 3.448 20 10 GGCDLM Cc1cc(-c2csc(NS(=O)(=O)c3ccc(CC(=O)[O-])cc3)n2)c(C)o1 ZINC000738315174 600244436 /nfs/dbraw/zinc/24/44/36/600244436.db2.gz YGUIYUYAPWAEIS-UHFFFAOYSA-N -1 2 392.458 3.448 20 10 GGCDLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000739890259 600245096 /nfs/dbraw/zinc/24/50/96/600245096.db2.gz YDYYDTQNTORPOQ-UHFFFAOYSA-N -1 2 392.433 3.377 20 10 GGCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)n2)c(C)c1 ZINC000832906923 600827565 /nfs/dbraw/zinc/82/75/65/600827565.db2.gz FKCTXIJBGMOZJR-UHFFFAOYSA-N -1 2 391.474 3.264 20 10 GGCDLM Cc1sc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)nc1-c1ccc(C)cc1 ZINC000832908641 600827879 /nfs/dbraw/zinc/82/78/79/600827879.db2.gz NSXHJOQONGXDBA-UHFFFAOYSA-N -1 2 391.474 3.264 20 10 GGCDLM Cc1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cc1C(=O)[O-] ZINC000832956677 600828464 /nfs/dbraw/zinc/82/84/64/600828464.db2.gz QSKJOEPLKXYPPK-UHFFFAOYSA-N -1 2 375.431 3.013 20 10 GGCDLM Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)cc1C(=O)[O-] ZINC000832956676 600828551 /nfs/dbraw/zinc/82/85/51/600828551.db2.gz QPHATZZMRDMSMI-UHFFFAOYSA-N -1 2 375.431 3.013 20 10 GGCDLM Cc1cc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)ccc1C(=O)[O-] ZINC000832904409 600975346 /nfs/dbraw/zinc/97/53/46/600975346.db2.gz MBIUSXJKOSTUHA-UHFFFAOYSA-N -1 2 375.431 3.013 20 10 GGCDLM Cc1cc(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)cc(C)c1F ZINC000832904374 600976708 /nfs/dbraw/zinc/97/67/08/600976708.db2.gz JNDILIFNMGHRAZ-UHFFFAOYSA-N -1 2 395.437 3.393 20 10 GGCDLM O=C([O-])c1ccc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1 ZINC000833324253 601132383 /nfs/dbraw/zinc/13/23/83/601132383.db2.gz QMTBXWRDAWIGKS-UHFFFAOYSA-N -1 2 388.426 3.202 20 10 GGCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3csnc3C(=O)[O-])n2)cc1C ZINC000832906760 601767350 /nfs/dbraw/zinc/76/73/50/601767350.db2.gz APICONZZXDGXAQ-UHFFFAOYSA-N -1 2 395.487 3.382 20 10 GGCDLM Cc1cc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)sc1Br ZINC000123548800 1414769853 /nfs/dbraw/zinc/76/98/53/1414769853.db2.gz MPGPWTONDOFYLM-UHFFFAOYSA-N -1 2 392.252 3.024 20 10 GGCDLM CCOc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000790408951 978799350 /nfs/dbraw/zinc/79/93/50/978799350.db2.gz IJDDOMFRLCCVJT-UHFFFAOYSA-N -1 2 389.788 3.082 20 10 GGCDLM CCc1ccc(-c2csc(NS(=O)(=O)c3cncc(C(=O)[O-])c3)n2)s1 ZINC001597492340 988027088 /nfs/dbraw/zinc/02/70/88/988027088.db2.gz MWSNJSXRJZKEAF-UHFFFAOYSA-N -1 2 395.487 3.328 20 10 GGCDLM COc1cc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)ccc1C(=O)[O-] ZINC001599459953 998254599 /nfs/dbraw/zinc/25/45/99/998254599.db2.gz QGFGSAKCOWIZOC-UHFFFAOYSA-N -1 2 396.471 3.379 20 10 GGCDLM C[C@H](Sc1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1)C(=O)[O-] ZINC000514803725 566670123 /nfs/dbraw/zinc/67/01/23/566670123.db2.gz KKQQCFYDIAMAID-VIFPVBQESA-N -1 2 395.487 3.057 20 10 GGCDLM Cc1cccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)c1C(=O)[O-] ZINC000738746810 600052171 /nfs/dbraw/zinc/05/21/71/600052171.db2.gz LWWFSLZTMDRUFC-UHFFFAOYSA-N -1 2 375.431 3.013 20 10 GGCDLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 ZINC000740145576 600052340 /nfs/dbraw/zinc/05/23/40/600052340.db2.gz UKBIWHDBPHTZKC-UHFFFAOYSA-N -1 2 378.406 3.448 20 10 GGCDLM O=C([O-])c1csc(S(=O)(=O)Nc2nc3c(s2)CCc2ccccc2-3)c1 ZINC000740272434 600052624 /nfs/dbraw/zinc/05/26/24/600052624.db2.gz SVUYMBLKINSNIO-UHFFFAOYSA-N -1 2 392.483 3.469 20 10 GGCDLM Cc1ccc(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)cc1C ZINC000738655359 600055134 /nfs/dbraw/zinc/05/51/34/600055134.db2.gz RMNXLFBQDINQBU-UHFFFAOYSA-N -1 2 377.447 3.254 20 10 GGCDLM O=C([O-])c1cc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCC4)n2)c[nH]1 ZINC000740069240 600055225 /nfs/dbraw/zinc/05/52/25/600055225.db2.gz RVPVNFXJOOODIM-UHFFFAOYSA-N -1 2 389.458 3.126 20 10 GGCDLM O=C([O-])c1cc(-c2csc(NS(=O)(=O)c3ccccc3Cl)n2)c[nH]1 ZINC000740069289 600055312 /nfs/dbraw/zinc/05/53/12/600055312.db2.gz TWJHRBRVXXCFFQ-UHFFFAOYSA-N -1 2 383.838 3.291 20 10 GGCDLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1 ZINC000739889951 600244958 /nfs/dbraw/zinc/24/49/58/600244958.db2.gz UNWFIAYTVQLHHE-UHFFFAOYSA-N -1 2 392.433 3.377 20 10 GGCDLM CCc1ccc(-c2csc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)n2)s1 ZINC000830228912 600827710 /nfs/dbraw/zinc/82/77/10/600827710.db2.gz IBSMXRNJDFHJEL-UHFFFAOYSA-N -1 2 397.503 3.272 20 10 GGCDLM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)c1 ZINC000833296924 600975353 /nfs/dbraw/zinc/97/53/53/600975353.db2.gz FFCFXCTWZZWXEL-UHFFFAOYSA-N -1 2 395.849 3.358 20 10 GGCDLM CCOc1ccc(-c2csc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)n2)cc1 ZINC000830054206 600976836 /nfs/dbraw/zinc/97/68/36/600976836.db2.gz SRNDPWJJBDCREA-UHFFFAOYSA-N -1 2 393.446 3.036 20 10 GGCDLM O=C([O-])c1ccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1 ZINC000833324194 601187328 /nfs/dbraw/zinc/18/73/28/601187328.db2.gz MGEBMHFQVQDWMA-UHFFFAOYSA-N -1 2 378.406 3.448 20 10 GGCDLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc(-c2cccs2)cs1 ZINC000005884442 601357932 /nfs/dbraw/zinc/35/79/32/601357932.db2.gz UEYRRFCWIIDYOL-UHFFFAOYSA-N -1 2 396.471 3.379 20 10 GGCDLM Cc1cc(F)cc(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)c1 ZINC000832887783 601358838 /nfs/dbraw/zinc/35/88/38/601358838.db2.gz HGMVTKCIXGNJLM-UHFFFAOYSA-N -1 2 381.410 3.085 20 10 GGCDLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc(F)c1F ZINC000758163905 978703998 /nfs/dbraw/zinc/70/39/98/978703998.db2.gz NRZSTOKPTWZWQQ-UHFFFAOYSA-N -1 2 398.170 3.476 20 10 GGCDLM COc1ccc(-c2csc(NS(=O)(=O)c3cc(C(=O)[O-])oc3C)n2)cc1 ZINC001599470218 998437960 /nfs/dbraw/zinc/43/79/60/998437960.db2.gz GOKVQAOTBFYCPT-UHFFFAOYSA-N -1 2 394.430 3.219 20 10 GGCDLM COc1c(O)c(C[N@H+](C)Cc2cc(Br)cn2C)ccc1[N+](=O)[O-] ZINC000278846936 565580963 /nfs/dbraw/zinc/58/09/63/565580963.db2.gz KSIHOVKHLICWDD-UHFFFAOYSA-N -1 2 384.230 3.042 20 10 GGCDLM O=C([O-])C[N@H+](Cc1ccccc1)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000739796561 599853794 /nfs/dbraw/zinc/85/37/94/599853794.db2.gz YBMFFZDNNLEOCP-UHFFFAOYSA-N -1 2 391.423 3.416 20 10 GGCDLM O=C([O-])C[N@@H+](Cc1ccccc1)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000739796561 599853797 /nfs/dbraw/zinc/85/37/97/599853797.db2.gz YBMFFZDNNLEOCP-UHFFFAOYSA-N -1 2 391.423 3.416 20 10 GGCDLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2cccnc2)cs1 ZINC000738277382 599967019 /nfs/dbraw/zinc/96/70/19/599967019.db2.gz VFAILNWTOLRZGT-UHFFFAOYSA-N -1 2 375.431 3.013 20 10 GGCDLM COc1cccc(S(=O)(=O)Nc2nc(-c3ccc(C(=O)[O-])cc3)cs2)c1 ZINC000738109876 600051670 /nfs/dbraw/zinc/05/16/70/600051670.db2.gz VWDLOVPEPBSRNF-UHFFFAOYSA-N -1 2 390.442 3.318 20 10 GGCDLM CSc1ccc(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)cc1 ZINC000738211005 600055085 /nfs/dbraw/zinc/05/50/85/600055085.db2.gz FIUFNPJHVUFPTI-UHFFFAOYSA-N -1 2 395.487 3.359 20 10 GGCDLM O=C([O-])c1cc(-c2csc(NS(=O)(=O)c3cccc(Cl)c3)n2)c[nH]1 ZINC000740069590 600055145 /nfs/dbraw/zinc/05/51/45/600055145.db2.gz XXTWNNRNKRBRMB-UHFFFAOYSA-N -1 2 383.838 3.291 20 10 GGCDLM Cc1ccc(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)cc1F ZINC000738654500 600055252 /nfs/dbraw/zinc/05/52/52/600055252.db2.gz AZMKPLZRQBUPDI-UHFFFAOYSA-N -1 2 381.410 3.085 20 10 GGCDLM Cc1ccc(F)cc1S(=O)(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000738606861 600055407 /nfs/dbraw/zinc/05/54/07/600055407.db2.gz QCEXDADCSDGAJL-UHFFFAOYSA-N -1 2 381.410 3.085 20 10 GGCDLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)cc1 ZINC000739889778 600244934 /nfs/dbraw/zinc/24/49/34/600244934.db2.gz QDGHFFBTTZSMJM-UHFFFAOYSA-N -1 2 392.433 3.377 20 10 GGCDLM Cc1sc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)nc1-c1ccc(F)cc1 ZINC000833036867 600828218 /nfs/dbraw/zinc/82/82/18/600828218.db2.gz OGABXDOMJJARBA-UHFFFAOYSA-N -1 2 395.437 3.095 20 10 GGCDLM Cn1cc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1C(=O)[O-] ZINC000833056205 600829270 /nfs/dbraw/zinc/82/92/70/600829270.db2.gz ZFNYVKODRALTJY-UHFFFAOYSA-N -1 2 397.865 3.301 20 10 GGCDLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c[nH]1 ZINC000833306480 600975895 /nfs/dbraw/zinc/97/58/95/600975895.db2.gz XGCBFURUBZIGHW-UHFFFAOYSA-N -1 2 383.838 3.291 20 10 GGCDLM Cc1sc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)nc1-c1ccc(F)cc1 ZINC000833036866 600977484 /nfs/dbraw/zinc/97/74/84/600977484.db2.gz OEVNJUVXZIPCAF-UHFFFAOYSA-N -1 2 381.410 3.085 20 10 GGCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3csnc3C(=O)[O-])n2)cc1 ZINC000832907017 601767718 /nfs/dbraw/zinc/76/77/18/601767718.db2.gz KCGXJDODGSSHOJ-UHFFFAOYSA-N -1 2 381.460 3.074 20 10 GGCDLM Cc1nc(C)c(S(=O)(=O)Nc2nc(-c3ccc(C(=O)[O-])cc3)cs2)s1 ZINC000832996144 601847681 /nfs/dbraw/zinc/84/76/81/601847681.db2.gz RKSUEDAXZZTPLA-UHFFFAOYSA-N -1 2 395.487 3.382 20 10 GGCDLM Cc1ccccc1-c1csc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)n1 ZINC000833753560 604699633 /nfs/dbraw/zinc/69/96/33/604699633.db2.gz WKRCTZHHSXXJFO-UHFFFAOYSA-N -1 2 375.431 3.013 20 10 GGCDLM Cc1ccccc1S(=O)(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737432073 1443551747 /nfs/dbraw/zinc/55/17/47/1443551747.db2.gz RGPQVJQGWHNVJC-UHFFFAOYSA-N -1 2 398.473 3.099 20 10 GGCDLM Cc1ccccc1S(=O)(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737432073 1443551748 /nfs/dbraw/zinc/55/17/48/1443551748.db2.gz RGPQVJQGWHNVJC-UHFFFAOYSA-N -1 2 398.473 3.099 20 10 GGCDLM C[C@@H](Sc1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1)C(=O)[O-] ZINC000514803723 566670050 /nfs/dbraw/zinc/67/00/50/566670050.db2.gz KKQQCFYDIAMAID-SECBINFHSA-N -1 2 395.487 3.057 20 10 GGCDLM CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1cccc2nsnc21 ZINC000516240439 566754867 /nfs/dbraw/zinc/75/48/67/566754867.db2.gz PDPQKKRBOPEABO-UHFFFAOYSA-N -1 2 377.447 3.314 20 10 GGCDLM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cccc2nsnc21 ZINC000531896462 567686898 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20 10 GGCDLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)cc1 ZINC000739888757 600244859 /nfs/dbraw/zinc/24/48/59/600244859.db2.gz GOTYLPZCXGVUQK-UHFFFAOYSA-N -1 2 380.472 3.300 20 10 GGCDLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)c(F)cc1F ZINC000740089245 600424693 /nfs/dbraw/zinc/42/46/93/600424693.db2.gz BUQSBVFIZMNXPQ-UHFFFAOYSA-N -1 2 386.357 3.180 20 10 GGCDLM O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1 ZINC000833274811 600670391 /nfs/dbraw/zinc/67/03/91/600670391.db2.gz IBSLLFCSBBQZII-UHFFFAOYSA-N -1 2 385.405 3.184 20 10 GGCDLM CCc1ccc(-c2csc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)n2)cc1 ZINC000830228695 600827733 /nfs/dbraw/zinc/82/77/33/600827733.db2.gz AUUIYVPHROWLEF-UHFFFAOYSA-N -1 2 391.474 3.210 20 10 GGCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)n2)cc1C ZINC000832906747 600827849 /nfs/dbraw/zinc/82/78/49/600827849.db2.gz AFUMXTKRHZZBRS-UHFFFAOYSA-N -1 2 391.474 3.264 20 10 GGCDLM CC(C)n1cc(S(=O)(=O)Nc2nc(-c3ccc(C(=O)[O-])cc3)cs2)cn1 ZINC000827186299 600974285 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10 GGCDLM Cc1cc(F)c(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)cc1F ZINC000832887362 601885244 /nfs/dbraw/zinc/88/52/44/601885244.db2.gz STDZIQHXZYCLML-UHFFFAOYSA-N -1 2 399.400 3.224 20 10 GGCDLM Cc1sc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)nc1-c1ccc(F)cc1 ZINC000833757875 604699591 /nfs/dbraw/zinc/69/95/91/604699591.db2.gz AEUNHLRNXSMSTQ-UHFFFAOYSA-N -1 2 393.421 3.152 20 10 GGCDLM Cc1sc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)nc1-c1ccccc1 ZINC000833758003 604699912 /nfs/dbraw/zinc/69/99/12/604699912.db2.gz HLZNUUIEFBMFSS-UHFFFAOYSA-N -1 2 375.431 3.013 20 10 GGCDLM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 ZINC000737301963 1423932320 /nfs/dbraw/zinc/93/23/20/1423932320.db2.gz YMSKWXNFQYALEL-UHFFFAOYSA-N -1 2 398.473 3.099 20 10 GGCDLM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 ZINC000737301963 1423932322 /nfs/dbraw/zinc/93/23/22/1423932322.db2.gz YMSKWXNFQYALEL-UHFFFAOYSA-N -1 2 398.473 3.099 20 10 GGCDLM COc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)[O-])s3)n2)cc1 ZINC001599470411 998441226 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GGCDLM CCc1ccc(-c2csc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)n2)cc1 ZINC000830229465 600974981 /nfs/dbraw/zinc/97/49/81/600974981.db2.gz UMKJKNONEQYXIF-UHFFFAOYSA-N -1 2 377.447 3.200 20 10 GGCDLM O=C([O-])c1cc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)cs1 ZINC000833306135 600975504 /nfs/dbraw/zinc/97/55/04/600975504.db2.gz GKTWISDBNRYTHG-UHFFFAOYSA-N -1 2 394.455 3.263 20 10 GGCDLM Cc1cc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)ccc1C(=O)[O-] ZINC000832904406 600975533 /nfs/dbraw/zinc/97/55/33/600975533.db2.gz MAPSFNHCEHCDRV-UHFFFAOYSA-N -1 2 375.431 3.013 20 10 GGCDLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)ccc1Cl ZINC000833306324 601844109 /nfs/dbraw/zinc/84/41/09/601844109.db2.gz NXPSONPHROJITF-UHFFFAOYSA-N -1 2 395.849 3.358 20 10 GGCDLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 ZINC000833293739 601847616 /nfs/dbraw/zinc/84/76/16/601847616.db2.gz GQUWVRLXVRONPW-UHFFFAOYSA-N -1 2 378.406 3.448 20 10 GGCDLM COc1ccccc1-c1csc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000738123072 978482561 /nfs/dbraw/zinc/48/25/61/978482561.db2.gz OYQBCXYBGOBHRA-UHFFFAOYSA-N -1 2 390.442 3.318 20 10 GGCDLM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000776433402 978748339 /nfs/dbraw/zinc/74/83/39/978748339.db2.gz TWZDKCANWLFNBB-UHFFFAOYSA-N -1 2 379.287 3.049 20 10 GGCDLM CCc1ccc(-c2csc(NS(=O)(=O)c3cncc(C(=O)[O-])c3)n2)cc1 ZINC001597491800 988020899 /nfs/dbraw/zinc/02/08/99/988020899.db2.gz CWVDFQVXCUQBJZ-UHFFFAOYSA-N -1 2 389.458 3.267 20 10 GGCDLM Cc1cc(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)sc1C(=O)[O-] ZINC000290517286 566177409 /nfs/dbraw/zinc/17/74/09/566177409.db2.gz MJKPCBIETDUNIP-UHFFFAOYSA-N -1 2 385.463 3.186 20 10 GGCDLM CCc1ccc(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)cc1 ZINC000737268137 600055091 /nfs/dbraw/zinc/05/50/91/600055091.db2.gz SGYVUOFOVYMJRY-UHFFFAOYSA-N -1 2 377.447 3.200 20 10 GGCDLM O=C([O-])c1cc(-c2csc(NS(=O)(=O)c3ccc(Cl)s3)n2)c[nH]1 ZINC000740068223 600055360 /nfs/dbraw/zinc/05/53/60/600055360.db2.gz BKOOXPIAUPUNOH-UHFFFAOYSA-N -1 2 389.867 3.352 20 10 GGCDLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c(F)cc1F ZINC000740090087 600424820 /nfs/dbraw/zinc/42/48/20/600424820.db2.gz RSGIEOPRCCPSNC-UHFFFAOYSA-N -1 2 382.388 3.064 20 10 GGCDLM COc1ccc(-c2csc(NS(=O)(=O)c3csc(C(=O)[O-])c3)n2)cc1 ZINC000832124544 600974789 /nfs/dbraw/zinc/97/47/89/600974789.db2.gz RQNKAZOCWXMDBF-UHFFFAOYSA-N -1 2 396.471 3.379 20 10 GGCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)n2)cc1C ZINC000832907012 600975361 /nfs/dbraw/zinc/97/53/61/600975361.db2.gz JSWLCHJRMYNIBG-UHFFFAOYSA-N -1 2 377.447 3.254 20 10 GGCDLM O=C([O-])c1cc(S(=O)(=O)Nc2nc3c(s2)CCc2ccccc2-3)cs1 ZINC000833306393 600976120 /nfs/dbraw/zinc/97/61/20/600976120.db2.gz PZWBYVHFNFDSHN-UHFFFAOYSA-N -1 2 392.483 3.469 20 10 GGCDLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c[nH]1 ZINC000833306407 600976265 /nfs/dbraw/zinc/97/62/65/600976265.db2.gz QUWKARXKJLCUSS-UHFFFAOYSA-N -1 2 389.867 3.352 20 10 GGCDLM Cc1sc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)nc1-c1ccc(C)cc1 ZINC000832908239 600976765 /nfs/dbraw/zinc/97/67/65/600976765.db2.gz HMTVIMQRWGJYHH-UHFFFAOYSA-N -1 2 377.447 3.254 20 10 GGCDLM COc1ccccc1-c1csc(NS(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC000832583096 600976854 /nfs/dbraw/zinc/97/68/54/600976854.db2.gz NSPGGCXRFWJDAT-UHFFFAOYSA-N -1 2 396.471 3.379 20 10 GGCDLM CCc1ccc(-c2csc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)n2)s1 ZINC000830229281 600976994 /nfs/dbraw/zinc/97/69/94/600976994.db2.gz PFNIKPACKJYOPA-UHFFFAOYSA-N -1 2 383.476 3.261 20 10 GGCDLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)cs2)c[nH]1 ZINC000833306320 600977175 /nfs/dbraw/zinc/97/71/75/600977175.db2.gz NVSHHSWUDLYBLA-UHFFFAOYSA-N -1 2 383.838 3.291 20 10 GGCDLM CCc1cccc(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)c1 ZINC000830270641 601338733 /nfs/dbraw/zinc/33/87/33/601338733.db2.gz WLRHYROZDLXQCC-UHFFFAOYSA-N -1 2 377.447 3.200 20 10 GGCDLM Cc1sc(NS(=O)(=O)c2csnc2C(=O)[O-])nc1-c1ccc(F)cc1 ZINC000833036914 601767639 /nfs/dbraw/zinc/76/76/39/601767639.db2.gz PYZAINUGDTZGRD-UHFFFAOYSA-N -1 2 399.450 3.213 20 10 GGCDLM